smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCNC1 ZINC001339934645 936392121 /nfs/dbraw/zinc/39/21/21/936392121.db2.gz VHSJJNDAJBAEOA-NVXWUHKLSA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCNC1 ZINC001339934645 936392125 /nfs/dbraw/zinc/39/21/25/936392125.db2.gz VHSJJNDAJBAEOA-NVXWUHKLSA-N 1 3 272.436 3.254 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001343741197 936512454 /nfs/dbraw/zinc/51/24/54/936512454.db2.gz AHNHSXFGLVQQKD-SFHVURJKSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001343741197 936512456 /nfs/dbraw/zinc/51/24/56/936512456.db2.gz AHNHSXFGLVQQKD-SFHVURJKSA-N 1 3 281.403 3.075 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC001352111915 937037086 /nfs/dbraw/zinc/03/70/86/937037086.db2.gz JLYVVZMMMIVCNE-IVMMDQJWSA-N 1 3 294.389 3.127 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001351282270 926822458 /nfs/dbraw/zinc/82/24/58/926822458.db2.gz BYAZBMAYABEPDS-JJXSEGSLSA-N 1 3 264.457 3.275 20 0 CGADHO COc1ccc2cc(C[NH2+]CC[C@H](C)N(C)C)ccc2c1 ZINC001461664448 937591244 /nfs/dbraw/zinc/59/12/44/937591244.db2.gz RFDXIEWFJHDNTL-AWEZNQCLSA-N 1 3 286.419 3.278 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC001462202376 937624899 /nfs/dbraw/zinc/62/48/99/937624899.db2.gz NEBXJKRYJPXINY-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC001462202376 937624902 /nfs/dbraw/zinc/62/49/02/937624902.db2.gz NEBXJKRYJPXINY-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)CC1 ZINC001462582521 937652131 /nfs/dbraw/zinc/65/21/31/937652131.db2.gz CKIFBYFBMYIYEY-LAQRGFTBSA-N 1 3 278.484 3.379 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC001308555798 933131437 /nfs/dbraw/zinc/13/14/37/933131437.db2.gz YHKKBEDCIDMRMH-KKUMJFAQSA-N 1 3 280.362 3.054 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308983616 933221584 /nfs/dbraw/zinc/22/15/84/933221584.db2.gz GFDZIALCOZCHDX-QUSNUVHPSA-N 1 3 266.473 3.377 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC001319213160 933843150 /nfs/dbraw/zinc/84/31/50/933843150.db2.gz YDKNMXAHRJTVRY-HNNXBMFYSA-N 1 3 281.403 3.218 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC001319382582 933866570 /nfs/dbraw/zinc/86/65/70/933866570.db2.gz GMLIVWJIPAYJDM-ZIAGYGMSSA-N 1 3 294.414 3.217 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC001324444643 934504054 /nfs/dbraw/zinc/50/40/54/934504054.db2.gz XACGJQZPPBDSGH-WMZOPIPTSA-N 1 3 274.452 3.246 20 0 CGADHO CCCSC[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC001474498074 937863501 /nfs/dbraw/zinc/86/35/01/937863501.db2.gz OIWGPXNSXZOFNZ-AWEZNQCLSA-N 1 3 272.502 3.230 20 0 CGADHO C1[C@H]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC001550475018 938166835 /nfs/dbraw/zinc/16/68/35/938166835.db2.gz PJHSDKRTGFITOQ-SFFUCWETSA-N 1 3 276.468 3.323 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H](c2ccncc2)C2CCC2)C1 ZINC001550696896 938170142 /nfs/dbraw/zinc/17/01/42/938170142.db2.gz ZKCOJTIUQONIRZ-DLBZAZTESA-N 1 3 287.451 3.291 20 0 CGADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC001551376931 938180428 /nfs/dbraw/zinc/18/04/28/938180428.db2.gz AEVPTQIFQLLPIT-JCKWVBRZSA-N 1 3 288.435 3.050 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC2CC(c3ccccc3Cl)C2)C12CCC2 ZINC001553026849 938196131 /nfs/dbraw/zinc/19/61/31/938196131.db2.gz CFKRDFIBJFLNSB-DCNYZXSGSA-N 1 3 290.838 3.446 20 0 CGADHO C[C@@H](C[NH+]1CCN(c2ccncc2)CC1)CC(C)(C)C ZINC001559652173 938231795 /nfs/dbraw/zinc/23/17/95/938231795.db2.gz FFPQGQUWIBGGIA-OAHLLOKOSA-N 1 3 275.440 3.276 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@@H](C)N(C)C ZINC001560546848 938262172 /nfs/dbraw/zinc/26/21/72/938262172.db2.gz LCNUEAMUXYGFNN-CYBMUJFWSA-N 1 3 268.832 3.387 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC[C@H](C)N(C)C ZINC001560546659 938262554 /nfs/dbraw/zinc/26/25/54/938262554.db2.gz CPVRXGVUAMILPZ-LBPRGKRZSA-N 1 3 288.357 3.444 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC001560623152 938266344 /nfs/dbraw/zinc/26/63/44/938266344.db2.gz QPJCOFPQUGDTNJ-FHWLQOOXSA-N 1 3 284.447 3.384 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC001560623354 938266440 /nfs/dbraw/zinc/26/64/40/938266440.db2.gz UYYLXGPGYPNGOX-QEJZJMRPSA-N 1 3 298.352 3.135 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC001560623353 938266506 /nfs/dbraw/zinc/26/65/06/938266506.db2.gz UYYLXGPGYPNGOX-NWANDNLSSA-N 1 3 298.352 3.135 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC001561055271 938292149 /nfs/dbraw/zinc/29/21/49/938292149.db2.gz KVCNHGXPQNNXFL-LSDHHAIUSA-N 1 3 280.431 3.467 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)Cc1ccccc1F ZINC001561055271 938292150 /nfs/dbraw/zinc/29/21/50/938292150.db2.gz KVCNHGXPQNNXFL-LSDHHAIUSA-N 1 3 280.431 3.467 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001561053699 938292425 /nfs/dbraw/zinc/29/24/25/938292425.db2.gz YXYFBXAFCBJNAK-NYCLONFESA-N 1 3 290.426 3.077 20 0 CGADHO CC(C)[C@@H](CN)C[NH2+]CC1CCc2ccccc2CC1 ZINC001575423130 962381043 /nfs/dbraw/zinc/38/10/43/962381043.db2.gz QEDPZCSJLNIFOS-SFHVURJKSA-N 1 3 274.452 3.002 20 0 CGADHO CC(C)CSCCC[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001575616524 962395217 /nfs/dbraw/zinc/39/52/17/962395217.db2.gz APWFWYOQJOZBJD-HOTGVXAUSA-N 1 3 284.513 3.217 20 0 CGADHO CC(C)CSCCC[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001575616524 962395236 /nfs/dbraw/zinc/39/52/36/962395236.db2.gz APWFWYOQJOZBJD-HOTGVXAUSA-N 1 3 284.513 3.217 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC001575566553 962398709 /nfs/dbraw/zinc/39/87/09/962398709.db2.gz YKQUJGWRHQMNQM-OWCLPIDISA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC001575615191 962399129 /nfs/dbraw/zinc/39/91/29/962399129.db2.gz KBPMBMYJIKPMRQ-WMZOPIPTSA-N 1 3 290.451 3.329 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(CC2CCC2)c1 ZINC001576153675 962435951 /nfs/dbraw/zinc/43/59/51/962435951.db2.gz XKWUGDRXHKLRRA-KGLIPLIRSA-N 1 3 260.425 3.245 20 0 CGADHO CCCN(Cc1csc(C)c1C)C1CC[NH2+]CC1 ZINC001577526900 962550569 /nfs/dbraw/zinc/55/05/69/962550569.db2.gz JOAHACMLYFLQNP-UHFFFAOYSA-N 1 3 266.454 3.329 20 0 CGADHO COc1ccc2ccccc2c1CC[NH2+]CC1(CN)CCC1 ZINC001579249566 962619091 /nfs/dbraw/zinc/61/90/91/962619091.db2.gz AXLCUWYZTSMGCA-UHFFFAOYSA-N 1 3 298.430 3.110 20 0 CGADHO NC[C@]12C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]1CCCC2 ZINC001580254198 962705441 /nfs/dbraw/zinc/70/54/41/962705441.db2.gz ARYZLQHLDQMWFJ-PKOBYXMFSA-N 1 3 295.430 3.186 20 0 CGADHO NC[C@]12C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]1CCCC2 ZINC001580254198 962705461 /nfs/dbraw/zinc/70/54/61/962705461.db2.gz ARYZLQHLDQMWFJ-PKOBYXMFSA-N 1 3 295.430 3.186 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2CN[C@H]2CCC[NH2+]C2)cc1 ZINC001580892997 962741270 /nfs/dbraw/zinc/74/12/70/962741270.db2.gz OXVODDQLZFCULN-BZSNNMDCSA-N 1 3 272.436 3.302 20 0 CGADHO CC[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000375309950 529374594 /nfs/dbraw/zinc/37/45/94/529374594.db2.gz OGAGHXALFPOMDF-CQSZACIVSA-N 1 3 276.424 3.048 20 0 CGADHO CC[NH+]1CCC(CCNCc2cc3cnccc3o2)CC1 ZINC000651723406 398275786 /nfs/dbraw/zinc/27/57/86/398275786.db2.gz NILPKKKBOWBTQE-UHFFFAOYSA-N 1 3 287.407 3.039 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC1CC([NH+]2CCCCC2)C1 ZINC000651791405 398288428 /nfs/dbraw/zinc/28/84/28/398288428.db2.gz YOYJOYKYRHZHHT-HWOWSKLDSA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CCCOCC1)C1CCCCC1 ZINC000651910238 398304843 /nfs/dbraw/zinc/30/48/43/398304843.db2.gz MHUGJKZZEMECLY-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CCCOCC1)C1CCCCC1 ZINC000651910238 398304847 /nfs/dbraw/zinc/30/48/47/398304847.db2.gz MHUGJKZZEMECLY-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO CSc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423108119 295679109 /nfs/dbraw/zinc/67/91/09/295679109.db2.gz STALQMWPZPFJRV-TUAOUCFPSA-N 1 3 252.427 3.185 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@@H]1C[C@@H]1C ZINC000414109465 529613489 /nfs/dbraw/zinc/61/34/89/529613489.db2.gz HHNMYGJKCLLKCA-JONQDZQNSA-N 1 3 252.446 3.131 20 0 CGADHO COc1cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)ccc1Cl ZINC000623358468 349788088 /nfs/dbraw/zinc/78/80/88/349788088.db2.gz BJHVKTGBEHCKBY-GJZGRUSLSA-N 1 3 294.826 3.065 20 0 CGADHO C[C@@H](COc1cccc(F)c1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371577 349792293 /nfs/dbraw/zinc/79/22/93/349792293.db2.gz JXNBNHFOXDJAKM-DZGCQCFKSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@@H](COc1cccc(F)c1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371577 349792296 /nfs/dbraw/zinc/79/22/96/349792296.db2.gz JXNBNHFOXDJAKM-DZGCQCFKSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(F)c1 ZINC000424372671 529655783 /nfs/dbraw/zinc/65/57/83/529655783.db2.gz IJVWQYQWNZEBTB-QLFBSQMISA-N 1 3 250.361 3.136 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623354496 349786530 /nfs/dbraw/zinc/78/65/30/349786530.db2.gz XHMAUGHQYJKLGL-INIZCTEOSA-N 1 3 290.451 3.436 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(OC(F)F)cc1 ZINC000423453464 529666002 /nfs/dbraw/zinc/66/60/02/529666002.db2.gz XQYGEHRLAKYGRB-BREBYQMCSA-N 1 3 272.339 3.064 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381958 349794614 /nfs/dbraw/zinc/79/46/14/349794614.db2.gz QEHBVBCLJTXWNC-RDJZCZTQSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381958 349794618 /nfs/dbraw/zinc/79/46/18/349794618.db2.gz QEHBVBCLJTXWNC-RDJZCZTQSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449185955 529694225 /nfs/dbraw/zinc/69/42/25/529694225.db2.gz BMIHVOVNFIWIEG-INIZCTEOSA-N 1 3 298.515 3.416 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623414714 349802938 /nfs/dbraw/zinc/80/29/38/349802938.db2.gz NISGNSFOPRMUJC-UKPHBRMFSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414714 349802939 /nfs/dbraw/zinc/80/29/39/349802939.db2.gz NISGNSFOPRMUJC-UKPHBRMFSA-N 1 3 272.436 3.382 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423050608 282247082 /nfs/dbraw/zinc/24/70/82/282247082.db2.gz YYPVAQYIIZWGPX-DZUCGIPZSA-N 1 3 282.472 3.090 20 0 CGADHO CCc1ccc([C@@H](C)NCCC[C@H]2CCC[NH2+]2)o1 ZINC000423476226 529706464 /nfs/dbraw/zinc/70/64/64/529706464.db2.gz ITDFZAIXMIJXGF-OLZOCXBDSA-N 1 3 250.386 3.025 20 0 CGADHO Cc1cnc([C@@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623492296 349819931 /nfs/dbraw/zinc/81/99/31/349819931.db2.gz SEEFXNYSUFWIJY-WCQYABFASA-N 1 3 281.469 3.017 20 0 CGADHO Cc1cnc([C@@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623492296 349819934 /nfs/dbraw/zinc/81/99/34/349819934.db2.gz SEEFXNYSUFWIJY-WCQYABFASA-N 1 3 281.469 3.017 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623492295 349820121 /nfs/dbraw/zinc/82/01/21/349820121.db2.gz SEEFXNYSUFWIJY-DGCLKSJQSA-N 1 3 281.469 3.017 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623492295 349820125 /nfs/dbraw/zinc/82/01/25/349820125.db2.gz SEEFXNYSUFWIJY-DGCLKSJQSA-N 1 3 281.469 3.017 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(CCSc3ccc(Cl)cc3)C[C@@H]12 ZINC000351473288 219098806 /nfs/dbraw/zinc/09/88/06/219098806.db2.gz DHAKJGDQBBOPRL-KCPJHIHWSA-N 1 3 296.867 3.101 20 0 CGADHO CCCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000295066262 199327435 /nfs/dbraw/zinc/32/74/35/199327435.db2.gz QQBBWGVTYIZBAF-AYHJJNSGSA-N 1 3 272.436 3.354 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)CC1(C)C ZINC000623546683 349831421 /nfs/dbraw/zinc/83/14/21/349831421.db2.gz NFRZUKDYZNGOAG-DUVNUKRYSA-N 1 3 276.399 3.144 20 0 CGADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)CC1(C)C ZINC000623546683 349831425 /nfs/dbraw/zinc/83/14/25/349831425.db2.gz NFRZUKDYZNGOAG-DUVNUKRYSA-N 1 3 276.399 3.144 20 0 CGADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623655758 349856871 /nfs/dbraw/zinc/85/68/71/349856871.db2.gz DSCKRLVXAQWFJB-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO COc1ccccc1/C=C\C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656174 349856947 /nfs/dbraw/zinc/85/69/47/349856947.db2.gz OOCHGWCVXBVMOQ-BSDKJSHOSA-N 1 3 288.435 3.030 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(F)c2ccccc21 ZINC000423268360 529999874 /nfs/dbraw/zinc/99/98/74/529999874.db2.gz GDQPDPWNOIHXRZ-QWHCGFSZSA-N 1 3 274.383 3.485 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000085132869 345744343 /nfs/dbraw/zinc/74/43/43/345744343.db2.gz CSIFQIVTBNMJTH-OLZOCXBDSA-N 1 3 278.362 3.183 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000085132869 345744346 /nfs/dbraw/zinc/74/43/46/345744346.db2.gz CSIFQIVTBNMJTH-OLZOCXBDSA-N 1 3 278.362 3.183 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000085099170 345744377 /nfs/dbraw/zinc/74/43/77/345744377.db2.gz KWRFKHOEORWVSM-WCVJEAGWSA-N 1 3 252.446 3.131 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081633174 345716218 /nfs/dbraw/zinc/71/62/18/345716218.db2.gz JDEGSBCUUWEYPI-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000081633174 345716220 /nfs/dbraw/zinc/71/62/20/345716220.db2.gz JDEGSBCUUWEYPI-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCC2CCCC2)C1 ZINC000081633174 345716222 /nfs/dbraw/zinc/71/62/22/345716222.db2.gz JDEGSBCUUWEYPI-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCC2CCCC2)C1 ZINC000081633174 345716223 /nfs/dbraw/zinc/71/62/23/345716223.db2.gz JDEGSBCUUWEYPI-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000092739383 345855020 /nfs/dbraw/zinc/85/50/20/345855020.db2.gz NUDPCZWOBUAZBI-HNNXBMFYSA-N 1 3 293.430 3.383 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000168924310 232265937 /nfs/dbraw/zinc/26/59/37/232265937.db2.gz KOBWNALZDHYNLB-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000168924310 232265940 /nfs/dbraw/zinc/26/59/40/232265940.db2.gz KOBWNALZDHYNLB-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414800928 282460443 /nfs/dbraw/zinc/46/04/43/282460443.db2.gz LPBITKJQXRDSSK-CZUORRHYSA-N 1 3 272.392 3.348 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c(Cl)c1 ZINC000235746045 346337234 /nfs/dbraw/zinc/33/72/34/346337234.db2.gz POOJGKAPPRFYDP-GXTWGEPZSA-N 1 3 266.816 3.221 20 0 CGADHO COc1cccc2c1CCC[C@@H]2NC[C@@H]1CCC[N@H+](C)C1 ZINC000249554935 346382374 /nfs/dbraw/zinc/38/23/74/346382374.db2.gz LSAXQBBSVRMZHP-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO COc1cccc2c1CCC[C@@H]2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000249554935 346382377 /nfs/dbraw/zinc/38/23/77/346382377.db2.gz LSAXQBBSVRMZHP-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252125555 346390007 /nfs/dbraw/zinc/39/00/07/346390007.db2.gz LJDUGUHUCAMLPH-XUWVNRHRSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1ccc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000584775073 346713754 /nfs/dbraw/zinc/71/37/54/346713754.db2.gz ZEYZITPBNQGTFT-UKRRQHHQSA-N 1 3 264.413 3.031 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1F ZINC000624120369 349977567 /nfs/dbraw/zinc/97/75/67/349977567.db2.gz XLPKKJUBNZFCKA-KBPBESRZSA-N 1 3 294.414 3.217 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000624121931 349979836 /nfs/dbraw/zinc/97/98/36/349979836.db2.gz GEYJFEPOWFQSTI-NXVRBGIVSA-N 1 3 290.426 3.393 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000624121931 349979837 /nfs/dbraw/zinc/97/98/37/349979837.db2.gz GEYJFEPOWFQSTI-NXVRBGIVSA-N 1 3 290.426 3.393 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000624121931 349979838 /nfs/dbraw/zinc/97/98/38/349979838.db2.gz GEYJFEPOWFQSTI-NXVRBGIVSA-N 1 3 290.426 3.393 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000624121930 349979895 /nfs/dbraw/zinc/97/98/95/349979895.db2.gz GEYJFEPOWFQSTI-MXWWQKGMSA-N 1 3 290.426 3.393 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000624121930 349979897 /nfs/dbraw/zinc/97/98/97/349979897.db2.gz GEYJFEPOWFQSTI-MXWWQKGMSA-N 1 3 290.426 3.393 20 0 CGADHO C[N@H+]1CCCC[C@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000624121930 349979898 /nfs/dbraw/zinc/97/98/98/349979898.db2.gz GEYJFEPOWFQSTI-MXWWQKGMSA-N 1 3 290.426 3.393 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(C)n1 ZINC000624122429 349981372 /nfs/dbraw/zinc/98/13/72/349981372.db2.gz RCSULRSJUXAAET-ZBFHGGJFSA-N 1 3 275.440 3.081 20 0 CGADHO COc1ccc(C)cc1CNCCCCC[NH+]1CCCC1 ZINC000339500423 215211679 /nfs/dbraw/zinc/21/16/79/215211679.db2.gz PUCBTGMUSXFDRS-UHFFFAOYSA-N 1 3 290.451 3.359 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280696 191046821 /nfs/dbraw/zinc/04/68/21/191046821.db2.gz MAJNCBKOLJKADK-DOTOQJQBSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280696 191046823 /nfs/dbraw/zinc/04/68/23/191046823.db2.gz MAJNCBKOLJKADK-DOTOQJQBSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280696 191046825 /nfs/dbraw/zinc/04/68/25/191046825.db2.gz MAJNCBKOLJKADK-DOTOQJQBSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280696 191046827 /nfs/dbraw/zinc/04/68/27/191046827.db2.gz MAJNCBKOLJKADK-DOTOQJQBSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@]1(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCCS1 ZINC000628184550 350428950 /nfs/dbraw/zinc/42/89/50/350428950.db2.gz PTRZPLUHRZJXDX-HZPDHXFCSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@]1(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CCCS1 ZINC000628184550 350428953 /nfs/dbraw/zinc/42/89/53/350428953.db2.gz PTRZPLUHRZJXDX-HZPDHXFCSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@]1(CN2CC[C@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184550 350428955 /nfs/dbraw/zinc/42/89/55/350428955.db2.gz PTRZPLUHRZJXDX-HZPDHXFCSA-N 1 3 282.497 3.080 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+]CCCN2CCCC2)cc1 ZINC000628232570 350453914 /nfs/dbraw/zinc/45/39/14/350453914.db2.gz DHCNRJCIUHHTQQ-MRXNPFEDSA-N 1 3 260.425 3.174 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000629531623 350703772 /nfs/dbraw/zinc/70/37/72/350703772.db2.gz RMNBUSNSKPFFOX-VQHPVUNQSA-N 1 3 282.472 3.077 20 0 CGADHO C[NH2+]CCOCCN(C)[C@H](C)c1ccc2ccccc2c1 ZINC000629571818 350713988 /nfs/dbraw/zinc/71/39/88/350713988.db2.gz RJKCIEKQFYYLAA-OAHLLOKOSA-N 1 3 286.419 3.069 20 0 CGADHO CC(C)Cc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629525213 350701408 /nfs/dbraw/zinc/70/14/08/350701408.db2.gz YTBKUPBMXVUJJN-HNNXBMFYSA-N 1 3 290.451 3.044 20 0 CGADHO CCc1ccc(C2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000629667341 350733430 /nfs/dbraw/zinc/73/34/30/350733430.db2.gz TYYFIKBCYCBDHK-IBGZPJMESA-N 1 3 286.463 3.428 20 0 CGADHO Cc1scc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1C ZINC000631181500 350981084 /nfs/dbraw/zinc/98/10/84/350981084.db2.gz QHVLIDYXRKDVIQ-AWEZNQCLSA-N 1 3 266.454 3.186 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)F ZINC000631661039 351108378 /nfs/dbraw/zinc/10/83/78/351108378.db2.gz ZVVHANCXCSDUPA-HOCLYGCPSA-N 1 3 278.415 3.235 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)F ZINC000631661039 351108379 /nfs/dbraw/zinc/10/83/79/351108379.db2.gz ZVVHANCXCSDUPA-HOCLYGCPSA-N 1 3 278.415 3.235 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@@H]2O)CC1 ZINC000631742099 351134449 /nfs/dbraw/zinc/13/44/49/351134449.db2.gz IMPBGFWEVDHFAF-HOTGVXAUSA-N 1 3 296.499 3.169 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631742099 351134451 /nfs/dbraw/zinc/13/44/51/351134451.db2.gz IMPBGFWEVDHFAF-HOTGVXAUSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)[C@H]1CCN ZINC000634688410 351573832 /nfs/dbraw/zinc/57/38/32/351573832.db2.gz ROSKRQUBYMWPII-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@H]1CCN ZINC000634688410 351573836 /nfs/dbraw/zinc/57/38/36/351573836.db2.gz ROSKRQUBYMWPII-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733984 351579441 /nfs/dbraw/zinc/57/94/41/351579441.db2.gz UEACZTICWMCILD-DOTOQJQBSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000635005883 351623776 /nfs/dbraw/zinc/62/37/76/351623776.db2.gz PYVBQLCYNZYOMZ-OIISXLGYSA-N 1 3 260.425 3.115 20 0 CGADHO N[C@@H](CC[NH2+][C@@H](C1CC1)C1CCC1)Cc1ccccc1 ZINC000635007951 351626377 /nfs/dbraw/zinc/62/63/77/351626377.db2.gz QKHLSXVLRZPGSU-ZWKOTPCHSA-N 1 3 272.436 3.115 20 0 CGADHO CC(C)[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009509 351627654 /nfs/dbraw/zinc/62/76/54/351627654.db2.gz VULFHJOYKNRMBM-MOPGFXCFSA-N 1 3 297.446 3.328 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000635011848 351629511 /nfs/dbraw/zinc/62/95/11/351629511.db2.gz PNQZQJINXUYDPE-SOUVJXGZSA-N 1 3 270.436 3.273 20 0 CGADHO Cc1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)c(C)n1 ZINC000635012989 351630617 /nfs/dbraw/zinc/63/06/17/351630617.db2.gz XZRKEOXTAKUALX-CQSZACIVSA-N 1 3 295.430 3.195 20 0 CGADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccs1 ZINC000635016475 351632029 /nfs/dbraw/zinc/63/20/29/351632029.db2.gz BWMXDQGVWAYOPR-LBPRGKRZSA-N 1 3 272.417 3.245 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123632129 187101724 /nfs/dbraw/zinc/10/17/24/187101724.db2.gz MEFGOJRIDPMJFZ-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123632129 187101725 /nfs/dbraw/zinc/10/17/25/187101725.db2.gz MEFGOJRIDPMJFZ-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000123877623 187112521 /nfs/dbraw/zinc/11/25/21/187112521.db2.gz HMZYSSGJLYIUJX-QLFBSQMISA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1[C@H]([NH2+]CC2=CCN(C)CC2)C[C@H]1c1ccccc1 ZINC000364115342 234021122 /nfs/dbraw/zinc/02/11/22/234021122.db2.gz YTASSFIRSYVLLF-BMGDILEWSA-N 1 3 270.420 3.030 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1occc1C ZINC000135121819 187798572 /nfs/dbraw/zinc/79/85/72/187798572.db2.gz GYLHDZMZFRFLLG-AWEZNQCLSA-N 1 3 252.402 3.188 20 0 CGADHO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2=CCN(C)CC2)cc1 ZINC000366690441 234184140 /nfs/dbraw/zinc/18/41/40/234184140.db2.gz AMJIZGFDXSHNMD-MOPGFXCFSA-N 1 3 284.447 3.483 20 0 CGADHO CCC[C@H](CC)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000050401344 137913255 /nfs/dbraw/zinc/91/32/55/137913255.db2.gz UXVSWGDLCQCCHI-AWEZNQCLSA-N 1 3 261.413 3.219 20 0 CGADHO C[N@H+]1CC=C(CNCc2cccc(C(F)(F)F)c2)CC1 ZINC000271832729 191354810 /nfs/dbraw/zinc/35/48/10/191354810.db2.gz PCMNKCYBOOQRKN-UHFFFAOYSA-N 1 3 284.325 3.057 20 0 CGADHO C[N@@H+]1CC=C(CNCc2cccc(C(F)(F)F)c2)CC1 ZINC000271832729 191354812 /nfs/dbraw/zinc/35/48/12/191354812.db2.gz PCMNKCYBOOQRKN-UHFFFAOYSA-N 1 3 284.325 3.057 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000271865802 191376669 /nfs/dbraw/zinc/37/66/69/191376669.db2.gz LHPQAMSAFUXARV-GOSISDBHSA-N 1 3 270.420 3.306 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000414170420 235353206 /nfs/dbraw/zinc/35/32/06/235353206.db2.gz BZEYJEOWXUNNDO-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170420 235353209 /nfs/dbraw/zinc/35/32/09/235353209.db2.gz BZEYJEOWXUNNDO-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1F ZINC000414201326 235362442 /nfs/dbraw/zinc/36/24/42/235362442.db2.gz YAJTXVOEEZYJKF-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201326 235362443 /nfs/dbraw/zinc/36/24/43/235362443.db2.gz YAJTXVOEEZYJKF-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2ccc(Cl)cc2F)C1 ZINC000415000134 235508931 /nfs/dbraw/zinc/50/89/31/235508931.db2.gz KAKKCNMLUZXJFG-GXFFZTMASA-N 1 3 270.779 3.086 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000124774468 138377670 /nfs/dbraw/zinc/37/76/70/138377670.db2.gz BWIRKHKOTHSIDH-CJNGLKHVSA-N 1 3 264.388 3.303 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124774468 138377671 /nfs/dbraw/zinc/37/76/71/138377671.db2.gz BWIRKHKOTHSIDH-CJNGLKHVSA-N 1 3 264.388 3.303 20 0 CGADHO c1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCC2)cc1 ZINC000422708320 235906348 /nfs/dbraw/zinc/90/63/48/235906348.db2.gz BPISSJCEKIVJPJ-UJJTZGENSA-N 1 3 270.420 3.400 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423224178 236000947 /nfs/dbraw/zinc/00/09/47/236000947.db2.gz ILFRESBAESFIIQ-SRVKXCTJSA-N 1 3 277.437 3.115 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423260121 236011641 /nfs/dbraw/zinc/01/16/41/236011641.db2.gz PNWLQDGYNHNPKU-RYUDHWBXSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423295563 236028297 /nfs/dbraw/zinc/02/82/97/236028297.db2.gz FFFURSYWTSZZDN-QMTHXVAHSA-N 1 3 297.240 3.085 20 0 CGADHO N[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313913 236034435 /nfs/dbraw/zinc/03/44/35/236034435.db2.gz GJFIKCVXSAMHNA-MOPGFXCFSA-N 1 3 298.405 3.436 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@H]([NH3+])C1CC1 ZINC000423314858 236035845 /nfs/dbraw/zinc/03/58/45/236035845.db2.gz HZFSMSPPQOERPK-PGUXBMHVSA-N 1 3 266.816 3.159 20 0 CGADHO C[C@H](NCCCC[NH3+])c1csc(-c2ccccc2)n1 ZINC000423315526 236035974 /nfs/dbraw/zinc/03/59/74/236035974.db2.gz AWMUGHKAOPJESD-LBPRGKRZSA-N 1 3 275.421 3.200 20 0 CGADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423321467 236038336 /nfs/dbraw/zinc/03/83/36/236038336.db2.gz GEEYMRVEPIDVGT-NSHDSACASA-N 1 3 268.351 3.005 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c2ccccc12 ZINC000423392710 236060484 /nfs/dbraw/zinc/06/04/84/236060484.db2.gz LTOAGNJORAAXMH-DEYYWGMASA-N 1 3 298.430 3.497 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c2ccccc12 ZINC000423392710 236060487 /nfs/dbraw/zinc/06/04/87/236060487.db2.gz LTOAGNJORAAXMH-DEYYWGMASA-N 1 3 298.430 3.497 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]C[C@H]1NCCCC1(C)C ZINC000423380153 236055887 /nfs/dbraw/zinc/05/58/87/236055887.db2.gz GZLXRMACKWHCHR-QWHCGFSZSA-N 1 3 266.454 3.485 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1Br ZINC000423494916 236086318 /nfs/dbraw/zinc/08/63/18/236086318.db2.gz SSTXITZDALAMMI-SDDRHHMPSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000423406897 236066326 /nfs/dbraw/zinc/06/63/26/236066326.db2.gz VFVQRCWPIBJMRF-SOLBZPMBSA-N 1 3 286.463 3.475 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423509988 236089472 /nfs/dbraw/zinc/08/94/72/236089472.db2.gz PCQJMNDISFATJK-RPVQJOFSSA-N 1 3 299.393 3.027 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424332459 236150977 /nfs/dbraw/zinc/15/09/77/236150977.db2.gz WKMVWRQYADUFPE-VJANTYMQSA-N 1 3 296.458 3.429 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000294553529 199083031 /nfs/dbraw/zinc/08/30/31/199083031.db2.gz FKIGQPYHZRYRED-HNNXBMFYSA-N 1 3 290.451 3.035 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)CN(C)C ZINC000425929809 236273928 /nfs/dbraw/zinc/27/39/28/236273928.db2.gz GWVQWGLYGFJTST-OLZOCXBDSA-N 1 3 284.394 3.073 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)CN1CCCC1 ZINC000189072803 295972674 /nfs/dbraw/zinc/97/26/74/295972674.db2.gz ZDYYMIFKDHLKTM-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)CN1CCCCC1 ZINC000314661652 295972678 /nfs/dbraw/zinc/97/26/78/295972678.db2.gz ULWBFJFLYSBZHJ-DLBZAZTESA-N 1 3 294.483 3.047 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000181182024 189290345 /nfs/dbraw/zinc/29/03/45/189290345.db2.gz ORDXWVOXARXCTR-MJBXVCDLSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000181182024 189290346 /nfs/dbraw/zinc/29/03/46/189290346.db2.gz ORDXWVOXARXCTR-MJBXVCDLSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608780 189364353 /nfs/dbraw/zinc/36/43/53/189364353.db2.gz FYQYMEWAJNVZIL-WBVHZDCISA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608780 189364354 /nfs/dbraw/zinc/36/43/54/189364354.db2.gz FYQYMEWAJNVZIL-WBVHZDCISA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(-n2cccn2)c1 ZINC000183608780 189364355 /nfs/dbraw/zinc/36/43/55/189364355.db2.gz FYQYMEWAJNVZIL-WBVHZDCISA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000251693883 299381953 /nfs/dbraw/zinc/38/19/53/299381953.db2.gz LTXXSOFHCYCWGA-VHRBIJSZSA-N 1 3 286.341 3.483 20 0 CGADHO Cc1cccc(C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000480936812 243169629 /nfs/dbraw/zinc/16/96/29/243169629.db2.gz ZXSQHGFTKCRMOL-UHFFFAOYSA-N 1 3 260.425 3.207 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ccco1 ZINC000019915047 368783340 /nfs/dbraw/zinc/78/33/40/368783340.db2.gz GFHCFKIAWWOGJJ-ZIAGYGMSSA-N 1 3 252.402 3.441 20 0 CGADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(F)c1 ZINC000034958917 368984301 /nfs/dbraw/zinc/98/43/01/368984301.db2.gz NDXBELWPQBDHHO-RJPYNODJSA-N 1 3 262.372 3.102 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000035450943 369003212 /nfs/dbraw/zinc/00/32/12/369003212.db2.gz SQJUPKJVEOBVJZ-HOTGVXAUSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@@H](CCc1ccco1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000035450943 369003218 /nfs/dbraw/zinc/00/32/18/369003218.db2.gz SQJUPKJVEOBVJZ-HOTGVXAUSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@@H](CCc1ccco1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000035450943 369003225 /nfs/dbraw/zinc/00/32/25/369003225.db2.gz SQJUPKJVEOBVJZ-HOTGVXAUSA-N 1 3 278.440 3.455 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643715 369093015 /nfs/dbraw/zinc/09/30/15/369093015.db2.gz ZGZAPMHKCANJCD-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643715 369093020 /nfs/dbraw/zinc/09/30/20/369093020.db2.gz ZGZAPMHKCANJCD-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643715 369093025 /nfs/dbraw/zinc/09/30/25/369093025.db2.gz ZGZAPMHKCANJCD-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037648865 369094770 /nfs/dbraw/zinc/09/47/70/369094770.db2.gz RQRJZADIWUZDCW-CABCVRRESA-N 1 3 258.409 3.130 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648865 369094777 /nfs/dbraw/zinc/09/47/77/369094777.db2.gz RQRJZADIWUZDCW-CABCVRRESA-N 1 3 258.409 3.130 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c(C)o1 ZINC000037648963 369095923 /nfs/dbraw/zinc/09/59/23/369095923.db2.gz PIELYJYXQPGWCS-TZMCWYRMSA-N 1 3 262.397 3.031 20 0 CGADHO CC[C@H](NCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037713712 369100164 /nfs/dbraw/zinc/10/01/64/369100164.db2.gz VUNUPBHNYAZUHC-LBPRGKRZSA-N 1 3 261.196 3.383 20 0 CGADHO [NH3+]C[C@@H]1CCCN(C2c3ccccc3-c3ccccc32)C1 ZINC000044527608 369264381 /nfs/dbraw/zinc/26/43/81/369264381.db2.gz MHZDRWYYYSVKAZ-AWEZNQCLSA-N 1 3 278.399 3.427 20 0 CGADHO NC[C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000044527608 369264386 /nfs/dbraw/zinc/26/43/86/369264386.db2.gz MHZDRWYYYSVKAZ-AWEZNQCLSA-N 1 3 278.399 3.427 20 0 CGADHO NC[C@@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000044527608 369264392 /nfs/dbraw/zinc/26/43/92/369264392.db2.gz MHZDRWYYYSVKAZ-AWEZNQCLSA-N 1 3 278.399 3.427 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494105436 244262275 /nfs/dbraw/zinc/26/22/75/244262275.db2.gz IKSQKQIDQWASPT-OAHLLOKOSA-N 1 3 271.408 3.084 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494105436 244262281 /nfs/dbraw/zinc/26/22/81/244262281.db2.gz IKSQKQIDQWASPT-OAHLLOKOSA-N 1 3 271.408 3.084 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000062077384 369617212 /nfs/dbraw/zinc/61/72/12/369617212.db2.gz FWCOUUUDCAVYAR-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1cc(F)ccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197307 369643139 /nfs/dbraw/zinc/64/31/39/369643139.db2.gz GHDYMLMMXWTMMW-KRWDZBQOSA-N 1 3 276.399 3.098 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000358468365 296149271 /nfs/dbraw/zinc/14/92/71/296149271.db2.gz NFUMJABGLCCTJY-TWMKSMIVSA-N 1 3 294.483 3.044 20 0 CGADHO c1ccc(SCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093452609 370132809 /nfs/dbraw/zinc/13/28/09/370132809.db2.gz DWABJVOKDASVIU-ZACQAIPSSA-N 1 3 290.476 3.289 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451197 370132847 /nfs/dbraw/zinc/13/28/47/370132847.db2.gz LQMFGGIQXAEZLK-BBWFWOEESA-N 1 3 292.854 3.393 20 0 CGADHO c1cc2c(cccc2C[N@H+]2CC[C@H](CN3CCCC3)C2)[nH]1 ZINC000093604582 370146394 /nfs/dbraw/zinc/14/63/94/370146394.db2.gz GCZAPHAHZNZONE-OAHLLOKOSA-N 1 3 283.419 3.086 20 0 CGADHO c1cc2c(cccc2C[N@@H+]2CC[C@H](CN3CCCC3)C2)[nH]1 ZINC000093604582 370146400 /nfs/dbraw/zinc/14/64/00/370146400.db2.gz GCZAPHAHZNZONE-OAHLLOKOSA-N 1 3 283.419 3.086 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2sccc2C)[C@H](C)C1 ZINC000093639035 370151138 /nfs/dbraw/zinc/15/11/38/370151138.db2.gz BLKLOVAGGATWFR-ZIAGYGMSSA-N 1 3 266.454 3.219 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2sccc2C)[C@H](C)C1 ZINC000093639035 370151142 /nfs/dbraw/zinc/15/11/42/370151142.db2.gz BLKLOVAGGATWFR-ZIAGYGMSSA-N 1 3 266.454 3.219 20 0 CGADHO C[C@@H](N[C@H]1CCCCC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000423134205 296161990 /nfs/dbraw/zinc/16/19/90/296161990.db2.gz DQNMKGYIJGPIHY-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCCC12CCCC2)[C@@H]1CCCN1 ZINC000423134205 296161992 /nfs/dbraw/zinc/16/19/92/296161992.db2.gz DQNMKGYIJGPIHY-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580507 370993639 /nfs/dbraw/zinc/99/36/39/370993639.db2.gz PMPWWEDNFZUPIF-SLEUVZQESA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580507 370993643 /nfs/dbraw/zinc/99/36/43/370993643.db2.gz PMPWWEDNFZUPIF-SLEUVZQESA-N 1 3 266.816 3.473 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000132048917 371148734 /nfs/dbraw/zinc/14/87/34/371148734.db2.gz KZRLNTNVBGOFLB-KFWWJZLASA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000152172950 371681710 /nfs/dbraw/zinc/68/17/10/371681710.db2.gz REILDGIYZNZLHM-OFQRWUPVSA-N 1 3 252.446 3.418 20 0 CGADHO CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C1 ZINC000152411491 371693843 /nfs/dbraw/zinc/69/38/43/371693843.db2.gz VCMPATARBFSVHZ-CJNGLKHVSA-N 1 3 288.435 3.367 20 0 CGADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cn1 ZINC000421879679 371694747 /nfs/dbraw/zinc/69/47/47/371694747.db2.gz PKGCBZKIMNWVFV-XGNXJENSSA-N 1 3 281.831 3.258 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422700192 371756458 /nfs/dbraw/zinc/75/64/58/371756458.db2.gz BQNYJBVRPKNBBM-VXGBXAGGSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1cccc(C(F)(F)F)c1 ZINC000422700192 371756468 /nfs/dbraw/zinc/75/64/68/371756468.db2.gz BQNYJBVRPKNBBM-VXGBXAGGSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422700190 371756900 /nfs/dbraw/zinc/75/69/00/371756900.db2.gz BQNYJBVRPKNBBM-NWDGAFQWSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCCc1cccc(C(F)(F)F)c1 ZINC000422700190 371756906 /nfs/dbraw/zinc/75/69/06/371756906.db2.gz BQNYJBVRPKNBBM-NWDGAFQWSA-N 1 3 288.357 3.353 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422691735 371757315 /nfs/dbraw/zinc/75/73/15/371757315.db2.gz IWCOOIASXRMZKA-QAPCUYQASA-N 1 3 290.451 3.091 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000422713166 371764247 /nfs/dbraw/zinc/76/42/47/371764247.db2.gz PHWCYQRMZWMZOM-ZIAGYGMSSA-N 1 3 266.816 3.087 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2c1C ZINC000422720451 371768555 /nfs/dbraw/zinc/76/85/55/371768555.db2.gz MNMTYHGYGZLCLX-NVXWUHKLSA-N 1 3 285.435 3.392 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccc(F)cc1Cl ZINC000422727352 371770247 /nfs/dbraw/zinc/77/02/47/371770247.db2.gz HGNLJTMBDAWERS-IAQYHMDHSA-N 1 3 298.833 3.474 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc(Cl)c1 ZINC000422739077 371777675 /nfs/dbraw/zinc/77/76/75/371777675.db2.gz ZVJJHYDEWRWAEK-NSHDSACASA-N 1 3 289.810 3.353 20 0 CGADHO C[C@@H](NCCCCN(C)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422744228 371780615 /nfs/dbraw/zinc/78/06/15/371780615.db2.gz VRKOXJCFNUKNID-SJLPKXTDSA-N 1 3 289.467 3.023 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422748573 371781571 /nfs/dbraw/zinc/78/15/71/371781571.db2.gz VDZDBRPYHJQHCR-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)c1 ZINC000422748573 371781577 /nfs/dbraw/zinc/78/15/77/371781577.db2.gz VDZDBRPYHJQHCR-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@H](NCCCCOc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422833908 371832673 /nfs/dbraw/zinc/83/26/73/371832673.db2.gz NBFQZJRLUHDFAO-YOEHRIQHSA-N 1 3 294.414 3.105 20 0 CGADHO CCN(Cc1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289715049 371801013 /nfs/dbraw/zinc/80/10/13/371801013.db2.gz GVQKUMMXQYJEPQ-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422777693 371801995 /nfs/dbraw/zinc/80/19/95/371801995.db2.gz GCYVYECXVYDBHQ-RDJZCZTQSA-N 1 3 274.452 3.380 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000422780842 371802603 /nfs/dbraw/zinc/80/26/03/371802603.db2.gz KTNFIEXSVVQECE-HMDCTGQHSA-N 1 3 294.483 3.090 20 0 CGADHO Cc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422785438 371806825 /nfs/dbraw/zinc/80/68/25/371806825.db2.gz JSBFNXOPGIEWDT-JLSDUUJJSA-N 1 3 296.414 3.497 20 0 CGADHO COc1ccc2cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc2c1 ZINC000422794435 371813772 /nfs/dbraw/zinc/81/37/72/371813772.db2.gz GPGIWIDQOGCKCV-CHWSQXEVSA-N 1 3 272.392 3.064 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(F)cc1F ZINC000422798599 371816544 /nfs/dbraw/zinc/81/65/44/371816544.db2.gz RXPMEFPHQOADNY-BFQNTYOBSA-N 1 3 282.378 3.175 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802995 371818315 /nfs/dbraw/zinc/81/83/15/371818315.db2.gz CFCCELBNPZLQNJ-ABXWRUBCSA-N 1 3 292.389 3.333 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000422805245 371820189 /nfs/dbraw/zinc/82/01/89/371820189.db2.gz IXTBZBFQNDJBPA-CYBMUJFWSA-N 1 3 275.440 3.470 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422808373 371822325 /nfs/dbraw/zinc/82/23/25/371822325.db2.gz KZHMKVOZVXAHQX-KZNAEPCWSA-N 1 3 284.447 3.229 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422808072 371823400 /nfs/dbraw/zinc/82/34/00/371823400.db2.gz QBHFOWMQLPZWDM-QGPMSJSTSA-N 1 3 272.436 3.084 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCc1cccc(-c2ccccc2)c1 ZINC000422883417 371853450 /nfs/dbraw/zinc/85/34/50/371853450.db2.gz BYVXOSHGKFIKRX-RBUKOAKNSA-N 1 3 280.415 3.366 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422899680 371860841 /nfs/dbraw/zinc/86/08/41/371860841.db2.gz ICDXNCIXKWAPFI-SWLSCSKDSA-N 1 3 290.382 3.487 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000422930591 371877245 /nfs/dbraw/zinc/87/72/45/371877245.db2.gz VDRJTKRYAUEIBC-RBSFLKMASA-N 1 3 276.449 3.473 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940633 371881779 /nfs/dbraw/zinc/88/17/79/371881779.db2.gz HHJROGKIGWKNQI-HUUCEWRRSA-N 1 3 298.377 3.080 20 0 CGADHO C(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000422846387 371838973 /nfs/dbraw/zinc/83/89/73/371838973.db2.gz PTBRAVFWOVYTQO-OKZBNKHCSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423052840 371936462 /nfs/dbraw/zinc/93/64/62/371936462.db2.gz QOVFPRBUVGGFDH-FDYHWXHSSA-N 1 3 278.362 3.085 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000423056018 371937511 /nfs/dbraw/zinc/93/75/11/371937511.db2.gz XPPYEDJSWCCDMF-NEPJUHHUSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423056324 371937897 /nfs/dbraw/zinc/93/78/97/371937897.db2.gz XZFFUPQAVKMVJK-STQMWFEESA-N 1 3 296.405 3.345 20 0 CGADHO C[C@H](CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC(C)(C)C ZINC000423059092 371939375 /nfs/dbraw/zinc/93/93/75/371939375.db2.gz LAXLCRUDPRPZMP-YYIAUSFCSA-N 1 3 296.499 3.196 20 0 CGADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422950574 371888122 /nfs/dbraw/zinc/88/81/22/371888122.db2.gz YKAJSUQDYGKUCM-PBHICJAKSA-N 1 3 290.451 3.080 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000422963809 371895566 /nfs/dbraw/zinc/89/55/66/371895566.db2.gz JPJKRJQVEGUKPC-ZDUSSCGKSA-N 1 3 273.424 3.390 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Nc1ccccc1 ZINC000422979221 371899862 /nfs/dbraw/zinc/89/98/62/371899862.db2.gz MAFGQFQUNNRAPM-NXHRZFHOSA-N 1 3 289.467 3.101 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)Nc1ccccc1 ZINC000422979221 371899866 /nfs/dbraw/zinc/89/98/66/371899866.db2.gz MAFGQFQUNNRAPM-NXHRZFHOSA-N 1 3 289.467 3.101 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422986441 371903849 /nfs/dbraw/zinc/90/38/49/371903849.db2.gz GUSDIGBJDGDXSB-PBHICJAKSA-N 1 3 290.426 3.126 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000423002733 371910448 /nfs/dbraw/zinc/91/04/48/371910448.db2.gz ZKKIIEVUJBSMEG-MAUKXSAKSA-N 1 3 295.430 3.226 20 0 CGADHO Cc1cc(C)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000423005092 371912983 /nfs/dbraw/zinc/91/29/83/371912983.db2.gz QQVGFYTTYKKNKM-SJPCQFCGSA-N 1 3 272.436 3.027 20 0 CGADHO C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCc2ccccc21 ZINC000423013799 371913688 /nfs/dbraw/zinc/91/36/88/371913688.db2.gz GUPWZHOCZJLJKC-RZRMAFQFSA-N 1 3 284.447 3.153 20 0 CGADHO CC(C)(C)c1nc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cs1 ZINC000423021631 371920261 /nfs/dbraw/zinc/92/02/61/371920261.db2.gz FRFLBSYNKRZXFK-GXTWGEPZSA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1nc(CCN[C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000423021631 371920268 /nfs/dbraw/zinc/92/02/68/371920268.db2.gz FRFLBSYNKRZXFK-GXTWGEPZSA-N 1 3 295.496 3.090 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423046688 371931042 /nfs/dbraw/zinc/93/10/42/371931042.db2.gz FAFJKDYKAMVXOF-XJKSGUPXSA-N 1 3 282.378 3.005 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(F)(F)F ZINC000423046423 371931938 /nfs/dbraw/zinc/93/19/38/371931938.db2.gz DPCBNDFGWODYNV-XBFCOCLRSA-N 1 3 286.341 3.268 20 0 CGADHO Fc1ccccc1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423094529 371960055 /nfs/dbraw/zinc/96/00/55/371960055.db2.gz KHUOOIMNUZCMNO-KBAYOESNSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096920 371961358 /nfs/dbraw/zinc/96/13/58/371961358.db2.gz PZAAAUDLNMEWSR-WSMBLCCSSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096920 371961366 /nfs/dbraw/zinc/96/13/66/371961366.db2.gz PZAAAUDLNMEWSR-WSMBLCCSSA-N 1 3 276.399 3.049 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423099862 371963272 /nfs/dbraw/zinc/96/32/72/371963272.db2.gz BBVZBLVEBLEGNA-RWMBFGLXSA-N 1 3 290.373 3.229 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000423101643 371966003 /nfs/dbraw/zinc/96/60/03/371966003.db2.gz NTOYQZJYHXHUSS-KONPQCLYSA-N 1 3 272.436 3.219 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423101643 371966010 /nfs/dbraw/zinc/96/60/10/371966010.db2.gz NTOYQZJYHXHUSS-KONPQCLYSA-N 1 3 272.436 3.219 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423104254 371967200 /nfs/dbraw/zinc/96/72/00/371967200.db2.gz YDAVRYBDNZVUJX-IRWJRLHMSA-N 1 3 276.399 3.049 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCC23CCOCC3)c2ccccc21 ZINC000423107795 371969860 /nfs/dbraw/zinc/96/98/60/371969860.db2.gz FFKVRQCOUGOAMW-BRWVUGGUSA-N 1 3 286.419 3.070 20 0 CGADHO Cc1cccc(CCCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000423107149 371969916 /nfs/dbraw/zinc/96/99/16/371969916.db2.gz PKIHFRLRIVOTCZ-AEFFLSMTSA-N 1 3 289.467 3.223 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@@H](C)C1CNC1)c1ccc(Cl)cc1 ZINC000423107882 371969965 /nfs/dbraw/zinc/96/99/65/371969965.db2.gz LKSRTPXTBMPQAG-BLLLJJGKSA-N 1 3 280.843 3.277 20 0 CGADHO CC(C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423107882 371969970 /nfs/dbraw/zinc/96/99/70/371969970.db2.gz LKSRTPXTBMPQAG-BLLLJJGKSA-N 1 3 280.843 3.277 20 0 CGADHO CSCc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423108331 371970239 /nfs/dbraw/zinc/97/02/39/371970239.db2.gz LXEBGUQFGXQMRV-CJNGLKHVSA-N 1 3 278.465 3.027 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122409 371977330 /nfs/dbraw/zinc/97/73/30/371977330.db2.gz KPUSOMDRFRECSP-OWSLCNJRSA-N 1 3 288.435 3.156 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2sccc2c1 ZINC000423126504 371978248 /nfs/dbraw/zinc/97/82/48/371978248.db2.gz RVZJIAFBCVTGBZ-ZIAGYGMSSA-N 1 3 260.406 3.118 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1COc2ccccc21 ZINC000423125510 371978976 /nfs/dbraw/zinc/97/89/76/371978976.db2.gz QTNXTZPWTLQXPX-OWCLPIDISA-N 1 3 288.435 3.063 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423127644 371981134 /nfs/dbraw/zinc/98/11/34/371981134.db2.gz JUPOYPBCAKOZAD-SRABZTEZSA-N 1 3 276.399 3.179 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000423132436 371982932 /nfs/dbraw/zinc/98/29/32/371982932.db2.gz UOMCYZORHAWUOS-OIISXLGYSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1CN)CCC2 ZINC000423132436 371982937 /nfs/dbraw/zinc/98/29/37/371982937.db2.gz UOMCYZORHAWUOS-OIISXLGYSA-N 1 3 258.409 3.089 20 0 CGADHO COCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423136757 371985438 /nfs/dbraw/zinc/98/54/38/371985438.db2.gz HLNUJYUYTUQEBW-SJORKVTESA-N 1 3 288.435 3.318 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000423139567 371986819 /nfs/dbraw/zinc/98/68/19/371986819.db2.gz VNAKVFHFTMIZPE-GHMZBOCLSA-N 1 3 256.340 3.014 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423172037 372002946 /nfs/dbraw/zinc/00/29/46/372002946.db2.gz QYULAERCJBKJEM-WRQOLXDDSA-N 1 3 264.457 3.321 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423172037 372002949 /nfs/dbraw/zinc/00/29/49/372002949.db2.gz QYULAERCJBKJEM-WRQOLXDDSA-N 1 3 264.457 3.321 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCC2CC(F)(F)C2)c2ccccc21 ZINC000423159823 371996570 /nfs/dbraw/zinc/99/65/70/371996570.db2.gz GQFNMTSWDIUMJV-UONOGXRCSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167722 371999463 /nfs/dbraw/zinc/99/94/63/371999463.db2.gz FPZQUXRDHQXREX-OLZOCXBDSA-N 1 3 280.843 3.378 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423167722 371999465 /nfs/dbraw/zinc/99/94/65/371999465.db2.gz FPZQUXRDHQXREX-OLZOCXBDSA-N 1 3 280.843 3.378 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423081776 371952435 /nfs/dbraw/zinc/95/24/35/371952435.db2.gz VOACRLHNUYORFK-VWYCJHECSA-N 1 3 290.329 3.362 20 0 CGADHO C[NH2+]CCCN[C@H]1CCCc2c3ccccc3sc21 ZINC000423197866 372022076 /nfs/dbraw/zinc/02/20/76/372022076.db2.gz BPMKNKUHFLESJM-AWEZNQCLSA-N 1 3 274.433 3.478 20 0 CGADHO CNCCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423197866 372022079 /nfs/dbraw/zinc/02/20/79/372022079.db2.gz BPMKNKUHFLESJM-AWEZNQCLSA-N 1 3 274.433 3.478 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCCNC2)C(C)C)cc1 ZINC000423210560 372031882 /nfs/dbraw/zinc/03/18/82/372031882.db2.gz JWORYLVGUUDPHU-MSOLQXFVSA-N 1 3 274.452 3.151 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000423212975 372033437 /nfs/dbraw/zinc/03/34/37/372033437.db2.gz JLCUOYPTERBVLI-BMFZPTHFSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[C@H]1CCCNC1 ZINC000423212981 372033648 /nfs/dbraw/zinc/03/36/48/372033648.db2.gz JLDFFCXNNTVTDF-NBOOPKSLSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423214229 372034655 /nfs/dbraw/zinc/03/46/55/372034655.db2.gz LABSTBVVJIESJD-KFWWJZLASA-N 1 3 286.419 3.342 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423214229 372034658 /nfs/dbraw/zinc/03/46/58/372034658.db2.gz LABSTBVVJIESJD-KFWWJZLASA-N 1 3 286.419 3.342 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1c(F)cccc1F ZINC000423291375 372047651 /nfs/dbraw/zinc/04/76/51/372047651.db2.gz IBGATCOTOGGJGZ-GFCCVEGCSA-N 1 3 284.394 3.393 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CCC(F)(F)CC1 ZINC000423285517 372047882 /nfs/dbraw/zinc/04/78/82/372047882.db2.gz YLXRJYHHDHQZFM-UBHSHLNASA-N 1 3 274.399 3.308 20 0 CGADHO [NH3+]CCCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423324606 372051110 /nfs/dbraw/zinc/05/11/10/372051110.db2.gz KQCYBCLIRPYLAG-GFCCVEGCSA-N 1 3 273.207 3.309 20 0 CGADHO CCc1nc2c(s1)[C@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180765 372057754 /nfs/dbraw/zinc/05/77/54/372057754.db2.gz RGJVYERGSRAJMI-CHWSQXEVSA-N 1 3 293.480 3.014 20 0 CGADHO CCc1nc2c(s1)[C@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180765 372057763 /nfs/dbraw/zinc/05/77/63/372057763.db2.gz RGJVYERGSRAJMI-CHWSQXEVSA-N 1 3 293.480 3.014 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@H]2CCC[C@H]21 ZINC000423422873 372062225 /nfs/dbraw/zinc/06/22/25/372062225.db2.gz ZJNBJUWESFBKCU-NZSAHSFTSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@H]2CCC[C@H]21 ZINC000423422873 372062233 /nfs/dbraw/zinc/06/22/33/372062233.db2.gz ZJNBJUWESFBKCU-NZSAHSFTSA-N 1 3 299.462 3.007 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CCNCC1 ZINC000423176050 372004902 /nfs/dbraw/zinc/00/49/02/372004902.db2.gz BSCFBUZJTVCAOF-MRXNPFEDSA-N 1 3 278.465 3.145 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)NC1CC[NH2+]CC1 ZINC000423176050 372004905 /nfs/dbraw/zinc/00/49/05/372004905.db2.gz BSCFBUZJTVCAOF-MRXNPFEDSA-N 1 3 278.465 3.145 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCCC1)c1ccc(OC)cc1 ZINC000423178090 372006166 /nfs/dbraw/zinc/00/61/66/372006166.db2.gz JZIMMMKBMSQUSX-INIZCTEOSA-N 1 3 276.424 3.398 20 0 CGADHO NC1(C[NH2+][C@H](c2ccccc2)C2CC2)CCCCC1 ZINC000423176166 372006520 /nfs/dbraw/zinc/00/65/20/372006520.db2.gz GJKPDGOPJHBUTB-MRXNPFEDSA-N 1 3 258.409 3.389 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000423393432 372059524 /nfs/dbraw/zinc/05/95/24/372059524.db2.gz MFSAQPUKAKYWCA-WCXIOVBPSA-N 1 3 287.451 3.004 20 0 CGADHO Cc1cc([C@@H](C)NCCC[NH2+]Cc2cccnc2)cs1 ZINC000423184040 372011507 /nfs/dbraw/zinc/01/15/07/372011507.db2.gz HMBBFBLVIHNHCW-CQSZACIVSA-N 1 3 289.448 3.282 20 0 CGADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(C)c2)CC1 ZINC000159223697 372118437 /nfs/dbraw/zinc/11/84/37/372118437.db2.gz FVYPFJCUTLUGSM-INIZCTEOSA-N 1 3 290.451 3.147 20 0 CGADHO COc1ccccc1[C@H]([NH2+][C@H](C)[C@@H](C)N)C1CCCC1 ZINC000423437139 372063735 /nfs/dbraw/zinc/06/37/35/372063735.db2.gz GCVRXSXHPHWWKE-PBFPGSCMSA-N 1 3 276.424 3.252 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423457061 372065199 /nfs/dbraw/zinc/06/51/99/372065199.db2.gz FFVFGXZXMJVYDU-CMPLNLGQSA-N 1 3 252.427 3.015 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC23CCSCC3)c2ccccc21 ZINC000423561326 372074139 /nfs/dbraw/zinc/07/41/39/372074139.db2.gz VUHXVQNUYQSNOD-APHBMKBZSA-N 1 3 288.460 3.254 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H](C)CN(C)C ZINC000425915113 372144279 /nfs/dbraw/zinc/14/42/79/372144279.db2.gz CRZPMZZEDCPJJV-QWHCGFSZSA-N 1 3 284.394 3.073 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)CN(C)C)C(C)C)cc1 ZINC000425944827 372146307 /nfs/dbraw/zinc/14/63/07/372146307.db2.gz OHEQWFRGMKZLPQ-SJLPKXTDSA-N 1 3 276.468 3.349 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+]CC2=CCN(C)CC2)C1 ZINC000344345530 217161102 /nfs/dbraw/zinc/16/11/02/217161102.db2.gz FAQPWTAPRYVHNP-GDBMZVCRSA-N 1 3 250.430 3.054 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432799783 372573807 /nfs/dbraw/zinc/57/38/07/372573807.db2.gz ZOFNZRBDFFJXPY-BBWFWOEESA-N 1 3 264.457 3.395 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432799783 372573810 /nfs/dbraw/zinc/57/38/10/372573810.db2.gz ZOFNZRBDFFJXPY-BBWFWOEESA-N 1 3 264.457 3.395 20 0 CGADHO c1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000294118262 372586377 /nfs/dbraw/zinc/58/63/77/372586377.db2.gz KLZBDCJOIBKKLF-FHWLQOOXSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000294118262 372586381 /nfs/dbraw/zinc/58/63/81/372586381.db2.gz KLZBDCJOIBKKLF-FHWLQOOXSA-N 1 3 284.447 3.397 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000344511228 217216377 /nfs/dbraw/zinc/21/63/77/217216377.db2.gz ISQSLVKXFMCDQZ-YOEHRIQHSA-N 1 3 283.419 3.055 20 0 CGADHO CCN(Cc1ccc(F)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435388910 372755805 /nfs/dbraw/zinc/75/58/05/372755805.db2.gz HYSQDJRQRPNDEQ-OAHLLOKOSA-N 1 3 264.388 3.098 20 0 CGADHO CCC[C@@H](C)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387746 372755977 /nfs/dbraw/zinc/75/59/77/372755977.db2.gz BJOBAWHMNDYBAE-AEFFLSMTSA-N 1 3 289.467 3.462 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848936 373047259 /nfs/dbraw/zinc/04/72/59/373047259.db2.gz XGVYYZTWDBAIJQ-KSSFIOAISA-N 1 3 272.436 3.090 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848936 373047268 /nfs/dbraw/zinc/04/72/68/373047268.db2.gz XGVYYZTWDBAIJQ-KSSFIOAISA-N 1 3 272.436 3.090 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000173903283 373213129 /nfs/dbraw/zinc/21/31/29/373213129.db2.gz DEGIKCCCYGLCQC-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000173903283 373213130 /nfs/dbraw/zinc/21/31/30/373213130.db2.gz DEGIKCCCYGLCQC-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000173903283 373213135 /nfs/dbraw/zinc/21/31/35/373213135.db2.gz DEGIKCCCYGLCQC-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000173903283 373213139 /nfs/dbraw/zinc/21/31/39/373213139.db2.gz DEGIKCCCYGLCQC-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(Cc2c(C)cc(C)cc2C)C1 ZINC000173908234 373213193 /nfs/dbraw/zinc/21/31/93/373213193.db2.gz BQLFUGJGUMAMNJ-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(Cc2c(C)cc(C)cc2C)C1 ZINC000173908234 373213197 /nfs/dbraw/zinc/21/31/97/373213197.db2.gz BQLFUGJGUMAMNJ-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908234 373213201 /nfs/dbraw/zinc/21/32/01/373213201.db2.gz BQLFUGJGUMAMNJ-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908234 373213204 /nfs/dbraw/zinc/21/32/04/373213204.db2.gz BQLFUGJGUMAMNJ-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO CN(CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc2C1 ZINC000444626384 373215223 /nfs/dbraw/zinc/21/52/23/373215223.db2.gz TUIOZQKWIIWPGQ-LJQANCHMSA-N 1 3 286.463 3.352 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000445255211 373306315 /nfs/dbraw/zinc/30/63/15/373306315.db2.gz SEKCRFJCIPCENC-OAHLLOKOSA-N 1 3 280.431 3.420 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000445255211 373306322 /nfs/dbraw/zinc/30/63/22/373306322.db2.gz SEKCRFJCIPCENC-OAHLLOKOSA-N 1 3 280.431 3.420 20 0 CGADHO CCSc1ccccc1[C@@H](C)NCCOCC[NH+](C)C ZINC000447592207 373459972 /nfs/dbraw/zinc/45/99/72/373459972.db2.gz KFKPRCZEPOEVCG-CQSZACIVSA-N 1 3 296.480 3.027 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000449171929 373667777 /nfs/dbraw/zinc/66/77/77/373667777.db2.gz LGEMNHBTTDEDRL-SSHXOBKSSA-N 1 3 284.513 3.371 20 0 CGADHO CO[C@]1(C)C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000178208350 373754493 /nfs/dbraw/zinc/75/44/93/373754493.db2.gz HKYOXWRWWDKPRV-WMLDXEAASA-N 1 3 282.472 3.043 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449477862 373764353 /nfs/dbraw/zinc/76/43/53/373764353.db2.gz QJHMWEAGHTVLQO-BPQIPLTHSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449477862 373764362 /nfs/dbraw/zinc/76/43/62/373764362.db2.gz QJHMWEAGHTVLQO-BPQIPLTHSA-N 1 3 296.499 3.434 20 0 CGADHO CCc1ccc2nccc(N3CCC([NH+](C)C)CC3)c2c1 ZINC000450250282 374023230 /nfs/dbraw/zinc/02/32/30/374023230.db2.gz IKJYBAMYMHJAIW-UHFFFAOYSA-N 1 3 283.419 3.328 20 0 CGADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(CO)c1 ZINC000305628536 374096288 /nfs/dbraw/zinc/09/62/88/374096288.db2.gz DIUZTHWCWPPSAF-OAHLLOKOSA-N 1 3 298.430 3.091 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000309737232 374195580 /nfs/dbraw/zinc/19/55/80/374195580.db2.gz UTKQIRJHWSHZIR-UDTPNQRGSA-N 1 3 284.447 3.285 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(Br)c1 ZINC000310196400 374210221 /nfs/dbraw/zinc/21/02/21/374210221.db2.gz ANJHMCXPXCNPIA-NWDGAFQWSA-N 1 3 299.256 3.297 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(F)c1 ZINC000310816119 374226068 /nfs/dbraw/zinc/22/60/68/374226068.db2.gz GQTPYYATHAQJDA-IUODEOHRSA-N 1 3 252.377 3.064 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)CN(C)C ZINC000312466179 374279446 /nfs/dbraw/zinc/27/94/46/374279446.db2.gz FYUNUYZWMUNFQD-SNVBAGLBSA-N 1 3 292.320 3.132 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700415 374335906 /nfs/dbraw/zinc/33/59/06/374335906.db2.gz BWPSWVCYQAQEKX-VYDXJSESSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700415 374335909 /nfs/dbraw/zinc/33/59/09/374335909.db2.gz BWPSWVCYQAQEKX-VYDXJSESSA-N 1 3 298.434 3.006 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182914166 374340585 /nfs/dbraw/zinc/34/05/85/374340585.db2.gz CCNNQDYVTQGGIR-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182914166 374340590 /nfs/dbraw/zinc/34/05/90/374340590.db2.gz CCNNQDYVTQGGIR-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228746 374370269 /nfs/dbraw/zinc/37/02/69/374370269.db2.gz BYMUYTSMDIHTQV-YMRXKLBXSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228746 374370274 /nfs/dbraw/zinc/37/02/74/374370274.db2.gz BYMUYTSMDIHTQV-YMRXKLBXSA-N 1 3 294.389 3.272 20 0 CGADHO Clc1ccc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000089541415 541953273 /nfs/dbraw/zinc/95/32/73/541953273.db2.gz KRUICSIBRYOJBE-DLBZAZTESA-N 1 3 292.854 3.489 20 0 CGADHO Clc1ccc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000089541415 541953279 /nfs/dbraw/zinc/95/32/79/541953279.db2.gz KRUICSIBRYOJBE-DLBZAZTESA-N 1 3 292.854 3.489 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000250693726 189967097 /nfs/dbraw/zinc/96/70/97/189967097.db2.gz KZRLNTNVBGOFLB-ZNMIVQPWSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC(C)(C)OC1(C)C)N1CCCCC1 ZINC000184508796 374533814 /nfs/dbraw/zinc/53/38/14/374533814.db2.gz YFPULQZPXPQSPL-HUUCEWRRSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](CCN[C@@H]1CC(C)(C)OC1(C)C)[NH+]1CCCCC1 ZINC000184508796 374533823 /nfs/dbraw/zinc/53/38/23/374533823.db2.gz YFPULQZPXPQSPL-HUUCEWRRSA-N 1 3 282.472 3.187 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2cnc(C)s2)CC1 ZINC000090408232 541960559 /nfs/dbraw/zinc/96/05/59/541960559.db2.gz JDPBERGBRAOSMK-GFCCVEGCSA-N 1 3 281.469 3.224 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1(C)C ZINC000185234253 374615992 /nfs/dbraw/zinc/61/59/92/374615992.db2.gz HFJYNRUMUVWZHW-FXUDXRNXSA-N 1 3 282.472 3.041 20 0 CGADHO C[NH+](C)CCCCCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000185492446 374673027 /nfs/dbraw/zinc/67/30/27/374673027.db2.gz VGKBTTCPUVPQLX-UHFFFAOYSA-N 1 3 282.403 3.133 20 0 CGADHO CN(Cc1ccc(Cl)cc1Cl)CC1CC[NH2+]CC1 ZINC000094010723 541984761 /nfs/dbraw/zinc/98/47/61/541984761.db2.gz ZLYCONACZGQVOT-UHFFFAOYSA-N 1 3 287.234 3.425 20 0 CGADHO CCCc1cccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000186981318 374949765 /nfs/dbraw/zinc/94/97/65/374949765.db2.gz PQDVFUQVKHJIPK-KRWDZBQOSA-N 1 3 260.425 3.023 20 0 CGADHO CCCc1cccc(C[N@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000186981318 374949776 /nfs/dbraw/zinc/94/97/76/374949776.db2.gz PQDVFUQVKHJIPK-KRWDZBQOSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261701379 296226027 /nfs/dbraw/zinc/22/60/27/296226027.db2.gz ILVCRJZBHSOYKE-FZMZJTMJSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261701379 296226029 /nfs/dbraw/zinc/22/60/29/296226029.db2.gz ILVCRJZBHSOYKE-FZMZJTMJSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(CN)C1 ZINC000261701379 296226031 /nfs/dbraw/zinc/22/60/31/296226031.db2.gz ILVCRJZBHSOYKE-FZMZJTMJSA-N 1 3 286.341 3.437 20 0 CGADHO CC1(C)CC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000187868800 375109808 /nfs/dbraw/zinc/10/98/08/375109808.db2.gz XDZCZLLIHVYAGD-QGZVFWFLSA-N 1 3 294.483 3.331 20 0 CGADHO C[NH+](C)CC[C@@H](NC/C=C\c1ccncc1)C(C)(C)C ZINC000487283245 375219367 /nfs/dbraw/zinc/21/93/67/375219367.db2.gz WOXOZCXPIXDMPR-MWWKQMNYSA-N 1 3 275.440 3.051 20 0 CGADHO C[NH+]1CCC2(CCCN2CC2=Cc3ccccc3OC2)CC1 ZINC000335690954 375350582 /nfs/dbraw/zinc/35/05/82/375350582.db2.gz HDQZUDMNKHWAIS-UHFFFAOYSA-N 1 3 298.430 3.023 20 0 CGADHO CN1CCC2(CCC[N@@H+]2CC2=Cc3ccccc3OC2)CC1 ZINC000335690954 375350593 /nfs/dbraw/zinc/35/05/93/375350593.db2.gz HDQZUDMNKHWAIS-UHFFFAOYSA-N 1 3 298.430 3.023 20 0 CGADHO CN1CCC2(CCC[N@H+]2CC2=Cc3ccccc3OC2)CC1 ZINC000335690954 375350596 /nfs/dbraw/zinc/35/05/96/375350596.db2.gz HDQZUDMNKHWAIS-UHFFFAOYSA-N 1 3 298.430 3.023 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000123893473 542030325 /nfs/dbraw/zinc/03/03/25/542030325.db2.gz GTGHDNYLNNTBGA-MRXNPFEDSA-N 1 3 258.409 3.097 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000123893473 542030329 /nfs/dbraw/zinc/03/03/29/542030329.db2.gz GTGHDNYLNNTBGA-MRXNPFEDSA-N 1 3 258.409 3.097 20 0 CGADHO C[N@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000123884257 542030502 /nfs/dbraw/zinc/03/05/02/542030502.db2.gz AOLSSKPUJKKJEF-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO C[N@@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000123884257 542030505 /nfs/dbraw/zinc/03/05/05/542030505.db2.gz AOLSSKPUJKKJEF-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c2c(c1)CNCC2 ZINC000123991476 542030613 /nfs/dbraw/zinc/03/06/13/542030613.db2.gz NKZSTHQYELHOGP-KDOFPFPSSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c2c(c1)CNCC2 ZINC000123991476 542030616 /nfs/dbraw/zinc/03/06/16/542030616.db2.gz NKZSTHQYELHOGP-KDOFPFPSSA-N 1 3 270.420 3.097 20 0 CGADHO C1CCC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000336554157 375827306 /nfs/dbraw/zinc/82/73/06/375827306.db2.gz ANLVSGWNTUKIKS-UHFFFAOYSA-N 1 3 250.430 3.316 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000193361266 375868021 /nfs/dbraw/zinc/86/80/21/375868021.db2.gz CRWFDDSMMCVEMS-YJBOKZPZSA-N 1 3 289.467 3.328 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000193361266 375868025 /nfs/dbraw/zinc/86/80/25/375868025.db2.gz CRWFDDSMMCVEMS-YJBOKZPZSA-N 1 3 289.467 3.328 20 0 CGADHO C[C@@H](c1ccccc1Cl)N1CCC(OCCC[NH3+])CC1 ZINC000094069805 296238374 /nfs/dbraw/zinc/23/83/74/296238374.db2.gz IKKGNLLTVMZFBM-ZDUSSCGKSA-N 1 3 296.842 3.231 20 0 CGADHO COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000536652152 376109775 /nfs/dbraw/zinc/10/97/75/376109775.db2.gz VHPFUXCSOKSCOB-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000536652152 376109782 /nfs/dbraw/zinc/10/97/82/376109782.db2.gz VHPFUXCSOKSCOB-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H](C)C1CCCCC1 ZINC000537306154 376162643 /nfs/dbraw/zinc/16/26/43/376162643.db2.gz CKFBNGRZLOMHHM-CABCVRRESA-N 1 3 264.457 3.443 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)CN1CCCCC1 ZINC000222224808 376231825 /nfs/dbraw/zinc/23/18/25/376231825.db2.gz XTRTYQYINLXDJB-CVEARBPZSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H]([NH2+]CC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000539019937 376285044 /nfs/dbraw/zinc/28/50/44/376285044.db2.gz HEQZKUNWEQEHDW-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1ccc2cc(CN(C)[C@@H]3CCC[NH2+]CC3)ccc2n1 ZINC000226447300 376359638 /nfs/dbraw/zinc/35/96/38/376359638.db2.gz IZXBUZONCSJCNW-QGZVFWFLSA-N 1 3 283.419 3.117 20 0 CGADHO CCC(C)(C)C1CCC([NH2+]CCOCCN(C)C)CC1 ZINC000226744220 376371839 /nfs/dbraw/zinc/37/18/39/376371839.db2.gz GKDSAXNEAOIYFG-UHFFFAOYSA-N 1 3 284.488 3.149 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000227374890 376392960 /nfs/dbraw/zinc/39/29/60/376392960.db2.gz LODRILPDMIEKSC-DOTOQJQBSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000227374890 376392969 /nfs/dbraw/zinc/39/29/69/376392969.db2.gz LODRILPDMIEKSC-DOTOQJQBSA-N 1 3 260.425 3.184 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000227496413 376395900 /nfs/dbraw/zinc/39/59/00/376395900.db2.gz WDTJDMKBBMEVQA-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](C[NH2+]CC1=CCN(C)CC1)CC1CCCCC1 ZINC000541774089 376480102 /nfs/dbraw/zinc/48/01/02/376480102.db2.gz CDQCRKFESPSQKL-HNNXBMFYSA-N 1 3 264.457 3.444 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)C1CCCC1)N1CCCCC1 ZINC000541557766 376458588 /nfs/dbraw/zinc/45/85/88/376458588.db2.gz UGTHHOHKVWJXHD-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000543438955 376642471 /nfs/dbraw/zinc/64/24/71/376642471.db2.gz ZVYRPCVXYFEGCC-JCYILVPMSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000543438955 376642479 /nfs/dbraw/zinc/64/24/79/376642479.db2.gz ZVYRPCVXYFEGCC-JCYILVPMSA-N 1 3 266.473 3.476 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC2CCC(C)CC2)C1 ZINC000543438955 376642484 /nfs/dbraw/zinc/64/24/84/376642484.db2.gz ZVYRPCVXYFEGCC-JCYILVPMSA-N 1 3 266.473 3.476 20 0 CGADHO c1ccc(SCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069862 376660789 /nfs/dbraw/zinc/66/07/89/376660789.db2.gz YAXQOGONAVRDMZ-CVEARBPZSA-N 1 3 290.476 3.385 20 0 CGADHO c1ccc(SCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069862 376660798 /nfs/dbraw/zinc/66/07/98/376660798.db2.gz YAXQOGONAVRDMZ-CVEARBPZSA-N 1 3 290.476 3.385 20 0 CGADHO Cc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000237499590 376746406 /nfs/dbraw/zinc/74/64/06/376746406.db2.gz ZYWXIWQWVZZSCS-AWEZNQCLSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000237499590 376746415 /nfs/dbraw/zinc/74/64/15/376746415.db2.gz ZYWXIWQWVZZSCS-AWEZNQCLSA-N 1 3 264.413 3.332 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084980 376922156 /nfs/dbraw/zinc/92/21/56/376922156.db2.gz UFYZOMZNLTWGPN-ZMSDIMECSA-N 1 3 264.457 3.370 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000557084980 376922160 /nfs/dbraw/zinc/92/21/60/376922160.db2.gz UFYZOMZNLTWGPN-ZMSDIMECSA-N 1 3 264.457 3.370 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246056833 376958845 /nfs/dbraw/zinc/95/88/45/376958845.db2.gz CZTQLOLAELTVPC-DOTOQJQBSA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246056833 376958855 /nfs/dbraw/zinc/95/88/55/376958855.db2.gz CZTQLOLAELTVPC-DOTOQJQBSA-N 1 3 260.425 3.123 20 0 CGADHO C[C@H](CNCCc1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000558566590 377020921 /nfs/dbraw/zinc/02/09/21/377020921.db2.gz QFEFMLDAXWBCOM-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO C[C@H](C[NH2+]CCc1ccc(F)cc1Cl)CN1CCCC1 ZINC000558566590 377020925 /nfs/dbraw/zinc/02/09/25/377020925.db2.gz QFEFMLDAXWBCOM-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000246596291 377058310 /nfs/dbraw/zinc/05/83/10/377058310.db2.gz MPBFXTPFERWBAP-SJORKVTESA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000246596291 377058317 /nfs/dbraw/zinc/05/83/17/377058317.db2.gz MPBFXTPFERWBAP-SJORKVTESA-N 1 3 297.446 3.235 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246946518 377124837 /nfs/dbraw/zinc/12/48/37/377124837.db2.gz QYONCABRSFKXIL-WMLDXEAASA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246946518 377124845 /nfs/dbraw/zinc/12/48/45/377124845.db2.gz QYONCABRSFKXIL-WMLDXEAASA-N 1 3 260.425 3.164 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000246853588 377104516 /nfs/dbraw/zinc/10/45/16/377104516.db2.gz BPVIOYJZTISAJQ-YLFCFFPRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000560243213 377133303 /nfs/dbraw/zinc/13/33/03/377133303.db2.gz BRXJASDZHXXPIT-PVAVHDDUSA-N 1 3 290.451 3.162 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000247136799 377164332 /nfs/dbraw/zinc/16/43/32/377164332.db2.gz AWWZPRWHLPEXMX-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000247136799 377164339 /nfs/dbraw/zinc/16/43/39/377164339.db2.gz AWWZPRWHLPEXMX-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247136799 377164344 /nfs/dbraw/zinc/16/43/44/377164344.db2.gz AWWZPRWHLPEXMX-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247136799 377164352 /nfs/dbraw/zinc/16/43/52/377164352.db2.gz AWWZPRWHLPEXMX-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC000247225245 377180155 /nfs/dbraw/zinc/18/01/55/377180155.db2.gz XYRUAIILNXITKM-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO C1CC1[C@@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000562040827 377268865 /nfs/dbraw/zinc/26/88/65/377268865.db2.gz BVYGSXXGQAMOHX-IRXDYDNUSA-N 1 3 262.441 3.172 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1F ZINC000248160953 377274714 /nfs/dbraw/zinc/27/47/14/377274714.db2.gz SBUUFBOTMUAPGY-DVOMOZLQSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000562959766 377379915 /nfs/dbraw/zinc/37/99/15/377379915.db2.gz UJVLDOQABGKOGW-GFCCVEGCSA-N 1 3 273.424 3.080 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248544987 377343289 /nfs/dbraw/zinc/34/32/89/377343289.db2.gz DFRLLCYMQKUSOY-HKUYNNGSSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248544987 377343299 /nfs/dbraw/zinc/34/32/99/377343299.db2.gz DFRLLCYMQKUSOY-HKUYNNGSSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@@H](Cc1ccccc1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248544987 377343313 /nfs/dbraw/zinc/34/33/13/377343313.db2.gz DFRLLCYMQKUSOY-HKUYNNGSSA-N 1 3 286.463 3.283 20 0 CGADHO NC[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCCC1 ZINC000563422153 377461583 /nfs/dbraw/zinc/46/15/83/377461583.db2.gz YAIHUZUZTYPUDB-OAHLLOKOSA-N 1 3 293.480 3.408 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)CN1CCCCC1 ZINC000094424021 249040806 /nfs/dbraw/zinc/04/08/06/249040806.db2.gz YNUBWCXPBUPDGM-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](CN[C@@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCCC1 ZINC000094424021 249040809 /nfs/dbraw/zinc/04/08/09/249040809.db2.gz YNUBWCXPBUPDGM-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313230892 249088787 /nfs/dbraw/zinc/08/87/87/249088787.db2.gz SNUXTDAHJGTBQI-BNOWGMLFSA-N 1 3 296.817 3.472 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1nc(C2CCCCC2)cs1 ZINC000422907962 249127359 /nfs/dbraw/zinc/12/73/59/249127359.db2.gz CLWZATZWUALZOR-CHWSQXEVSA-N 1 3 295.496 3.449 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422904449 249127585 /nfs/dbraw/zinc/12/75/85/249127585.db2.gz QATNTQHBJAFEFF-RISCZKNCSA-N 1 3 276.355 3.097 20 0 CGADHO CC(C)(C[NH2+]C1CC2(CCC2)C1)CN1CCCC1 ZINC000459519462 249154917 /nfs/dbraw/zinc/15/49/17/249154917.db2.gz KGNZIFZHYZKZQK-UHFFFAOYSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000251096613 377574328 /nfs/dbraw/zinc/57/43/28/377574328.db2.gz BERCVPZOADRPSN-RCCFBDPRSA-N 1 3 272.436 3.395 20 0 CGADHO c1ccc([C@@H](CC2CC2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000514854731 249191530 /nfs/dbraw/zinc/19/15/30/249191530.db2.gz GQQPSRFFCDALSD-NVXWUHKLSA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc([C@@H](CC2CC2)[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000514854731 249191534 /nfs/dbraw/zinc/19/15/34/249191534.db2.gz GQQPSRFFCDALSD-NVXWUHKLSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000251264430 377578382 /nfs/dbraw/zinc/57/83/82/377578382.db2.gz YILDVGRGQWSHJX-RRFJBIMHSA-N 1 3 264.438 3.067 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251424111 377582488 /nfs/dbraw/zinc/58/24/88/377582488.db2.gz HUYFFULLRLBEAO-OUCADQQQSA-N 1 3 298.377 3.408 20 0 CGADHO CC(C)c1ccc(OCCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000518397831 249280777 /nfs/dbraw/zinc/28/07/77/249280777.db2.gz WJGWQKSVVRSZDX-HOTGVXAUSA-N 1 3 276.424 3.048 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc2ccccc2c1 ZINC000252890930 377668530 /nfs/dbraw/zinc/66/85/30/377668530.db2.gz JDTBKFNTSCXPBX-KBXCAEBGSA-N 1 3 268.404 3.270 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc2ccccc2c1 ZINC000252890930 377668539 /nfs/dbraw/zinc/66/85/39/377668539.db2.gz JDTBKFNTSCXPBX-KBXCAEBGSA-N 1 3 268.404 3.270 20 0 CGADHO Cc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1C ZINC000574678767 377693546 /nfs/dbraw/zinc/69/35/46/377693546.db2.gz XEZCVHNQBAOAEQ-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1C ZINC000574678767 377693554 /nfs/dbraw/zinc/69/35/54/377693554.db2.gz XEZCVHNQBAOAEQ-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261688726 377839779 /nfs/dbraw/zinc/83/97/79/377839779.db2.gz NDNWVMHIGJWROP-CCKFTAQKSA-N 1 3 280.415 3.442 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261546346 377815714 /nfs/dbraw/zinc/81/57/14/377815714.db2.gz KWOCDNTZPKRSRK-GJZGRUSLSA-N 1 3 284.403 3.091 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261573934 377820657 /nfs/dbraw/zinc/82/06/57/377820657.db2.gz WHRGALNKPXTUJS-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261573934 377820659 /nfs/dbraw/zinc/82/06/59/377820659.db2.gz WHRGALNKPXTUJS-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261573934 377820666 /nfs/dbraw/zinc/82/06/66/377820666.db2.gz WHRGALNKPXTUJS-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H]1CC[N@H+](C[C@@H]2CCCNC2)CC12CCCCC2 ZINC000261648419 377834770 /nfs/dbraw/zinc/83/47/70/377834770.db2.gz AWUPHXBUQADUJL-JKSUJKDBSA-N 1 3 264.457 3.278 20 0 CGADHO C[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)CC12CCCCC2 ZINC000261648419 377834776 /nfs/dbraw/zinc/83/47/76/377834776.db2.gz AWUPHXBUQADUJL-JKSUJKDBSA-N 1 3 264.457 3.278 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000342932219 377864625 /nfs/dbraw/zinc/86/46/25/377864625.db2.gz YJSJBMRDBGWDAY-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000342932219 377864631 /nfs/dbraw/zinc/86/46/31/377864631.db2.gz YJSJBMRDBGWDAY-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000342932219 377864635 /nfs/dbraw/zinc/86/46/35/377864635.db2.gz YJSJBMRDBGWDAY-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000342932219 377864638 /nfs/dbraw/zinc/86/46/38/377864638.db2.gz YJSJBMRDBGWDAY-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000342937738 377867228 /nfs/dbraw/zinc/86/72/28/377867228.db2.gz ILBTWOXGWIUMBO-QGZVFWFLSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000342937738 377867234 /nfs/dbraw/zinc/86/72/34/377867234.db2.gz ILBTWOXGWIUMBO-QGZVFWFLSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000342937738 377867239 /nfs/dbraw/zinc/86/72/39/377867239.db2.gz ILBTWOXGWIUMBO-QGZVFWFLSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(C)c([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261911298 377868050 /nfs/dbraw/zinc/86/80/50/377868050.db2.gz YHZMQDONYMNDLO-MSOLQXFVSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262030695 377880040 /nfs/dbraw/zinc/88/00/40/377880040.db2.gz NZEYASAOPSKMOP-SJLPKXTDSA-N 1 3 272.436 3.092 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)CN2C[C@@H]2CCC[NH2+]C2)c1 ZINC000262028028 377880392 /nfs/dbraw/zinc/88/03/92/377880392.db2.gz WURSENOWTXAZIU-RKVPGOIHSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@@H]2CCCNC2)c1 ZINC000262028028 377880397 /nfs/dbraw/zinc/88/03/97/377880397.db2.gz WURSENOWTXAZIU-RKVPGOIHSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@@H]2CCCNC2)c1 ZINC000262028028 377880403 /nfs/dbraw/zinc/88/04/03/377880403.db2.gz WURSENOWTXAZIU-RKVPGOIHSA-N 1 3 288.435 3.078 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)c1C ZINC000261744271 377849429 /nfs/dbraw/zinc/84/94/29/377849429.db2.gz IZJBZTPEQKLLNX-QZTJIDSGSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000265976742 190220186 /nfs/dbraw/zinc/22/01/86/190220186.db2.gz BYRAVGNFMFSXSQ-HOTGVXAUSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000265976742 190220187 /nfs/dbraw/zinc/22/01/87/190220187.db2.gz BYRAVGNFMFSXSQ-HOTGVXAUSA-N 1 3 260.425 3.218 20 0 CGADHO c1cn(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000269979650 378289886 /nfs/dbraw/zinc/28/98/86/378289886.db2.gz QRTUARUKYQDWAT-QZTJIDSGSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000269979650 378289890 /nfs/dbraw/zinc/28/98/90/378289890.db2.gz QRTUARUKYQDWAT-QZTJIDSGSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)c2ccccc12 ZINC000269979650 378289893 /nfs/dbraw/zinc/28/98/93/378289893.db2.gz QRTUARUKYQDWAT-QZTJIDSGSA-N 1 3 297.446 3.248 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)c1cccc(Cl)c1 ZINC000580725145 378252289 /nfs/dbraw/zinc/25/22/89/378252289.db2.gz OOCCJOBQLBYPSI-GJZGRUSLSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000580725145 378252300 /nfs/dbraw/zinc/25/23/00/378252300.db2.gz OOCCJOBQLBYPSI-GJZGRUSLSA-N 1 3 280.843 3.477 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000582311291 378303180 /nfs/dbraw/zinc/30/31/80/378303180.db2.gz ILQZGKSERVYKOC-MKBNYLNASA-N 1 3 280.362 3.202 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271904014 378512419 /nfs/dbraw/zinc/51/24/19/378512419.db2.gz WCSHUELDYVTRBS-ACJLOTCBSA-N 1 3 288.410 3.301 20 0 CGADHO COc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000273019886 378735078 /nfs/dbraw/zinc/73/50/78/378735078.db2.gz CLBWQVYKTAVHOA-AWEZNQCLSA-N 1 3 288.435 3.281 20 0 CGADHO CCCCOCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922421 378730115 /nfs/dbraw/zinc/73/01/15/378730115.db2.gz CLKLUXSTKOYTGU-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922421 378730118 /nfs/dbraw/zinc/73/01/18/378730118.db2.gz CLKLUXSTKOYTGU-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347922421 378730124 /nfs/dbraw/zinc/73/01/24/378730124.db2.gz CLKLUXSTKOYTGU-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cccc(F)c1N ZINC000638366045 378778911 /nfs/dbraw/zinc/77/89/11/378778911.db2.gz KHAKQXFIWMLLCY-AWEZNQCLSA-N 1 3 293.430 3.152 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cccc(F)c1N ZINC000638366045 378778920 /nfs/dbraw/zinc/77/89/20/378778920.db2.gz KHAKQXFIWMLLCY-AWEZNQCLSA-N 1 3 293.430 3.152 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348262075 378871735 /nfs/dbraw/zinc/87/17/35/378871735.db2.gz QFEMSHKDIASHJQ-BPQIPLTHSA-N 1 3 272.436 3.112 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000348306076 378897219 /nfs/dbraw/zinc/89/72/19/378897219.db2.gz XGAXZLWYALRXDQ-MSOLQXFVSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1cccnc1 ZINC000348306076 378897224 /nfs/dbraw/zinc/89/72/24/378897224.db2.gz XGAXZLWYALRXDQ-MSOLQXFVSA-N 1 3 289.467 3.114 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000638788690 378912264 /nfs/dbraw/zinc/91/22/64/378912264.db2.gz PXXKLRXRJFEAPM-INIZCTEOSA-N 1 3 284.513 3.087 20 0 CGADHO C[C@]1(c2ccccc2)CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346993009 218083961 /nfs/dbraw/zinc/08/39/61/218083961.db2.gz UIDXGVJGRUYYLW-AEFFLSMTSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346993009 218083962 /nfs/dbraw/zinc/08/39/62/218083962.db2.gz UIDXGVJGRUYYLW-AEFFLSMTSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346993009 218083964 /nfs/dbraw/zinc/08/39/64/218083964.db2.gz UIDXGVJGRUYYLW-AEFFLSMTSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000370580788 379035138 /nfs/dbraw/zinc/03/51/38/379035138.db2.gz XNGOQUJYKOYFSK-JHNDHUHGSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000370580788 379035147 /nfs/dbraw/zinc/03/51/47/379035147.db2.gz XNGOQUJYKOYFSK-JHNDHUHGSA-N 1 3 296.524 3.371 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)CCCC1 ZINC000421822478 284741126 /nfs/dbraw/zinc/74/11/26/284741126.db2.gz XFJFJMIDKWSUDX-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1c[nH+]ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000191977023 542262511 /nfs/dbraw/zinc/26/25/11/542262511.db2.gz LHXGFAHNNYGYBT-HNNXBMFYSA-N 1 3 271.364 3.232 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H](N(C)C)CC2)c2ccccc2n1 ZINC000277262332 379113527 /nfs/dbraw/zinc/11/35/27/379113527.db2.gz RAEKRODMFIFNCJ-KRWDZBQOSA-N 1 3 297.446 3.459 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c2ccccc2n1 ZINC000277262332 379113531 /nfs/dbraw/zinc/11/35/31/379113531.db2.gz RAEKRODMFIFNCJ-KRWDZBQOSA-N 1 3 297.446 3.459 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000639375967 379333012 /nfs/dbraw/zinc/33/30/12/379333012.db2.gz MZRGSVFKJXHRIL-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2cccs2)CC1 ZINC000350185971 379527177 /nfs/dbraw/zinc/52/71/77/379527177.db2.gz ZRHOSCUMNBMSNP-UHFFFAOYSA-N 1 3 266.454 3.302 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684799 379545118 /nfs/dbraw/zinc/54/51/18/379545118.db2.gz ZHDQCGNFSLUTJF-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684799 379545121 /nfs/dbraw/zinc/54/51/21/379545121.db2.gz ZHDQCGNFSLUTJF-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000377222446 379646760 /nfs/dbraw/zinc/64/67/60/379646760.db2.gz HIFRKRPWMWLNOY-NRSFXHEJSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000377222446 379646765 /nfs/dbraw/zinc/64/67/65/379646765.db2.gz HIFRKRPWMWLNOY-NRSFXHEJSA-N 1 3 294.483 3.187 20 0 CGADHO CSC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000377616124 379706253 /nfs/dbraw/zinc/70/62/53/379706253.db2.gz OKNYQSRSQGRNMN-UHFFFAOYSA-N 1 3 282.497 3.126 20 0 CGADHO CSC1(CNC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000377616124 379706261 /nfs/dbraw/zinc/70/62/61/379706261.db2.gz OKNYQSRSQGRNMN-UHFFFAOYSA-N 1 3 282.497 3.126 20 0 CGADHO Cc1ccncc1C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000280833955 379803571 /nfs/dbraw/zinc/80/35/71/379803571.db2.gz JXYKWGADMBXLHN-KRWDZBQOSA-N 1 3 297.446 3.390 20 0 CGADHO C[C@H]1CC[C@H](NC2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051985 379935311 /nfs/dbraw/zinc/93/53/11/379935311.db2.gz VTPQPIIVDCOTNZ-KUQKPQIMSA-N 1 3 272.436 3.443 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643031675 380206015 /nfs/dbraw/zinc/20/60/15/380206015.db2.gz VBPWSYQHDZRFQL-ZBFHGGJFSA-N 1 3 281.403 3.040 20 0 CGADHO c1csc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000643477665 380317060 /nfs/dbraw/zinc/31/70/60/380317060.db2.gz ISCZMBVPRIYEFI-BZUAXINKSA-N 1 3 278.465 3.191 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNC2CCC(C[NH3+])CC2)o1 ZINC000643472018 380317546 /nfs/dbraw/zinc/31/75/46/380317546.db2.gz DRBZATRHFVJFFC-XZNOPERXSA-N 1 3 262.397 3.010 20 0 CGADHO C[C@@H](Cc1cccs1)NCC1([NH3+])CCCCCC1 ZINC000643498587 380320026 /nfs/dbraw/zinc/32/00/26/380320026.db2.gz HMTNEWNYXPEBAX-ZDUSSCGKSA-N 1 3 266.454 3.320 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)N[C@H]1CCC[NH2+]CC1 ZINC000643522098 380337293 /nfs/dbraw/zinc/33/72/93/380337293.db2.gz HTHDMYDBRZSBPF-ZFWWWQNUSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCNCC1 ZINC000643522098 380337298 /nfs/dbraw/zinc/33/72/98/380337298.db2.gz HTHDMYDBRZSBPF-ZFWWWQNUSA-N 1 3 272.392 3.096 20 0 CGADHO CC[C@@H](Cc1cccs1)NCCC[NH2+]C(C)C ZINC000643508283 380332245 /nfs/dbraw/zinc/33/22/45/380332245.db2.gz AWUJZDQHDDANIO-ZDUSSCGKSA-N 1 3 254.443 3.047 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000643427672 380304846 /nfs/dbraw/zinc/30/48/46/380304846.db2.gz VFMAQCGAHWAKDQ-QWQRMKEZSA-N 1 3 283.419 3.040 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000643548751 380364534 /nfs/dbraw/zinc/36/45/34/380364534.db2.gz URFOFVMBLDNKRO-ROUUACIJSA-N 1 3 284.447 3.198 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1(CC)CC ZINC000643548432 380364963 /nfs/dbraw/zinc/36/49/63/380364963.db2.gz PIWNSPMRZXTQDV-BZUAXINKSA-N 1 3 294.483 3.235 20 0 CGADHO CCO[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1(CC)CC ZINC000643548432 380364970 /nfs/dbraw/zinc/36/49/70/380364970.db2.gz PIWNSPMRZXTQDV-BZUAXINKSA-N 1 3 294.483 3.235 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221589 380368359 /nfs/dbraw/zinc/36/83/59/380368359.db2.gz HLEZUBNKZSXNBW-GDBMZVCRSA-N 1 3 294.414 3.009 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221589 380368364 /nfs/dbraw/zinc/36/83/64/380368364.db2.gz HLEZUBNKZSXNBW-GDBMZVCRSA-N 1 3 294.414 3.009 20 0 CGADHO CCSc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000414679449 380368781 /nfs/dbraw/zinc/36/87/81/380368781.db2.gz ZWGLVCQILXQPGS-USXIJHARSA-N 1 3 290.476 3.358 20 0 CGADHO C[C@@H]1C[C@H](CN(Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681333 380371362 /nfs/dbraw/zinc/37/13/62/380371362.db2.gz OVPHAZIEQIKSQA-ZIAGYGMSSA-N 1 3 276.399 3.178 20 0 CGADHO CCCc1cccc(CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414753290 380393033 /nfs/dbraw/zinc/39/30/33/380393033.db2.gz QGMCESPIVYESCZ-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643521849 380337713 /nfs/dbraw/zinc/33/77/13/380337713.db2.gz DIRIUBCRDJFSNM-IJEWVQPXSA-N 1 3 258.409 3.275 20 0 CGADHO Clc1cccc2c1CCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643522323 380339000 /nfs/dbraw/zinc/33/90/00/380339000.db2.gz LOQQXHUHXPPWRI-MLGOLLRUSA-N 1 3 278.827 3.449 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000643522450 380339191 /nfs/dbraw/zinc/33/91/91/380339191.db2.gz NFVPYJFOCYZWGS-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000643524189 380340445 /nfs/dbraw/zinc/34/04/45/380340445.db2.gz UTMUZBOEMXFNLK-MVWJERBFSA-N 1 3 270.779 3.400 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000643524204 380340728 /nfs/dbraw/zinc/34/07/28/380340728.db2.gz VKCBXNRCALADNZ-PQEBFOHHSA-N 1 3 276.399 3.321 20 0 CGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)N ZINC000643528316 380344207 /nfs/dbraw/zinc/34/42/07/380344207.db2.gz GYOMUJSUJDYYQX-ZJUUUORDSA-N 1 3 293.411 3.255 20 0 CGADHO Cc1nc([C@@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)c(C)s1 ZINC000643532305 380346975 /nfs/dbraw/zinc/34/69/75/380346975.db2.gz AIFIUGWJDYIMOW-LERXQTSPSA-N 1 3 281.469 3.176 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000643533866 380348518 /nfs/dbraw/zinc/34/85/18/380348518.db2.gz GPOGEHDLYDTDID-HZMBPMFUSA-N 1 3 282.790 3.272 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000643534369 380349650 /nfs/dbraw/zinc/34/96/50/380349650.db2.gz SKXJZRNOXDRUFG-FZMZJTMJSA-N 1 3 296.361 3.081 20 0 CGADHO CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000643534958 380350975 /nfs/dbraw/zinc/35/09/75/380350975.db2.gz GIDRXRAZDXGSAV-WBVHZDCISA-N 1 3 288.435 3.186 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CC23CC[NH2+]CC3)C2CCC2)o1 ZINC000643535507 380350984 /nfs/dbraw/zinc/35/09/84/380350984.db2.gz MZXTUDHRIVYICM-JKSUJKDBSA-N 1 3 274.408 3.161 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546037 380357699 /nfs/dbraw/zinc/35/76/99/380357699.db2.gz HGRQLPPZJSNMHQ-RHSMWYFYSA-N 1 3 270.420 3.247 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)s1 ZINC000643546301 380359174 /nfs/dbraw/zinc/35/91/74/380359174.db2.gz MAGJGELSLFDYIT-STQMWFEESA-N 1 3 264.438 3.382 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546435 380359925 /nfs/dbraw/zinc/35/99/25/380359925.db2.gz ORBFELADSIGLBA-HUUCEWRRSA-N 1 3 250.430 3.386 20 0 CGADHO CCC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000643547929 380362920 /nfs/dbraw/zinc/36/29/20/380362920.db2.gz KYGDAQSYRWZZJI-HUUCEWRRSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C[C@@H]1c1ccccc1 ZINC000414812603 380423983 /nfs/dbraw/zinc/42/39/83/380423983.db2.gz XNPSIBSLFFAVSN-KTQBOKQISA-N 1 3 272.436 3.286 20 0 CGADHO Cc1ccc(CCC[NH2+]CCNC2CCCCCC2)cn1 ZINC000414812532 380424321 /nfs/dbraw/zinc/42/43/21/380424321.db2.gz POZCARCHOCWZPJ-UHFFFAOYSA-N 1 3 289.467 3.225 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)NCC([NH3+])(CC)CC ZINC000414812434 380424551 /nfs/dbraw/zinc/42/45/51/380424551.db2.gz RGPZDYHVMGYSCS-INIZCTEOSA-N 1 3 262.441 3.423 20 0 CGADHO Cc1ccccc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414815443 380427424 /nfs/dbraw/zinc/42/74/24/380427424.db2.gz XPSVPKDIEYQBHP-AWEZNQCLSA-N 1 3 254.377 3.305 20 0 CGADHO C[C@@H]([NH2+]CCCCCOc1ccccc1)[C@@H]1CCCNC1 ZINC000414820465 380431835 /nfs/dbraw/zinc/43/18/35/380431835.db2.gz JMICGGMNUSLOOX-IAGOWNOFSA-N 1 3 290.451 3.213 20 0 CGADHO C[C@H]([NH2+]CCCc1c(F)cccc1Cl)[C@H]1CCCNC1 ZINC000414819983 380432302 /nfs/dbraw/zinc/43/23/02/380432302.db2.gz ITDBRRDYCJOYFW-STQMWFEESA-N 1 3 298.833 3.389 20 0 CGADHO C[C@H](NCCCc1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414819983 380432306 /nfs/dbraw/zinc/43/23/06/380432306.db2.gz ITDBRRDYCJOYFW-STQMWFEESA-N 1 3 298.833 3.389 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414845505 380449661 /nfs/dbraw/zinc/44/96/61/380449661.db2.gz DPELKUYSAVCGFV-JONQDZQNSA-N 1 3 254.462 3.425 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414844467 380449714 /nfs/dbraw/zinc/44/97/14/380449714.db2.gz RLCWXCPEXNUMKD-BJJXKVORSA-N 1 3 280.843 3.421 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414844467 380449716 /nfs/dbraw/zinc/44/97/16/380449716.db2.gz RLCWXCPEXNUMKD-BJJXKVORSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](NCc1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000414851369 380453875 /nfs/dbraw/zinc/45/38/75/380453875.db2.gz JBZTYWXDYKNGDX-TZMCWYRMSA-N 1 3 274.433 3.379 20 0 CGADHO Fc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786835 380405102 /nfs/dbraw/zinc/40/51/02/380405102.db2.gz UZBQISAJHLZWRH-KGLIPLIRSA-N 1 3 296.817 3.301 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414799119 380413473 /nfs/dbraw/zinc/41/34/73/380413473.db2.gz JQCKSAOXFPZGQT-IMJJTQAJSA-N 1 3 292.492 3.447 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000414907957 380486596 /nfs/dbraw/zinc/48/65/96/380486596.db2.gz CDCSYTCXFIRJBQ-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc([C@H]2CCCC[C@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414926899 380492236 /nfs/dbraw/zinc/49/22/36/380492236.db2.gz ODFIKSHSKVHCKZ-OKZBNKHCSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](CNCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000414864020 380464169 /nfs/dbraw/zinc/46/41/69/380464169.db2.gz YNWJRMIOLFWNMC-OAHLLOKOSA-N 1 3 260.425 3.431 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414876584 380470915 /nfs/dbraw/zinc/47/09/15/380470915.db2.gz LQWIXFOZZADRPI-UGFHNGPFSA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414880454 380472005 /nfs/dbraw/zinc/47/20/05/380472005.db2.gz QRLHIEDFWYRGFP-OIISXLGYSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414900567 380480046 /nfs/dbraw/zinc/48/00/46/380480046.db2.gz DXJGSDDEKJELPF-RHSMWYFYSA-N 1 3 278.415 3.126 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414904912 380483378 /nfs/dbraw/zinc/48/33/78/380483378.db2.gz MTNMDCVAELMDAD-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H](C)c1ccccc1 ZINC000414906806 380483409 /nfs/dbraw/zinc/48/34/09/380483409.db2.gz MTCOTFSBKDBAPZ-VYDXJSESSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323783 380592994 /nfs/dbraw/zinc/59/29/94/380592994.db2.gz PDUUYVVRCKTSRL-ARKGTOAJSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323783 380592999 /nfs/dbraw/zinc/59/29/99/380592999.db2.gz PDUUYVVRCKTSRL-ARKGTOAJSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323783 380593005 /nfs/dbraw/zinc/59/30/05/380593005.db2.gz PDUUYVVRCKTSRL-ARKGTOAJSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CC34CC4)CC2)C1 ZINC000417342242 380599316 /nfs/dbraw/zinc/59/93/16/380599316.db2.gz CMRVFOGKDLBKRD-HLLBOEOZSA-N 1 3 276.468 3.419 20 0 CGADHO CC1=C[C@@H](C)C[C@@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000356096723 380790193 /nfs/dbraw/zinc/79/01/93/380790193.db2.gz LZTPRKZNAZDFST-UKRRQHHQSA-N 1 3 250.430 3.005 20 0 CGADHO CSC1(C[NH+]2CCC(N3CCCCC3)CC2)CCC1 ZINC000356096198 380790688 /nfs/dbraw/zinc/79/06/88/380790688.db2.gz YVDVJAGYIYOSQJ-UHFFFAOYSA-N 1 3 282.497 3.222 20 0 CGADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)CC(C)C ZINC000419255529 380790789 /nfs/dbraw/zinc/79/07/89/380790789.db2.gz YGWGMRLXJDZKRS-RYRKJORJSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)CC(C)C ZINC000419255529 380790793 /nfs/dbraw/zinc/79/07/93/380790793.db2.gz YGWGMRLXJDZKRS-RYRKJORJSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255529 380790801 /nfs/dbraw/zinc/79/08/01/380790801.db2.gz YGWGMRLXJDZKRS-RYRKJORJSA-N 1 3 296.499 3.290 20 0 CGADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000356844316 380899781 /nfs/dbraw/zinc/89/97/81/380899781.db2.gz HQDBHRQXOXNECE-MLHJIOFPSA-N 1 3 284.447 3.285 20 0 CGADHO C[NH+](C)C1CCC(NCc2ccsc2Cl)CC1 ZINC000421366209 380903329 /nfs/dbraw/zinc/90/33/29/380903329.db2.gz BZEWAMHKSRCMMV-UHFFFAOYSA-N 1 3 272.845 3.364 20 0 CGADHO C[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)CN(C)C ZINC000572503404 322340600 /nfs/dbraw/zinc/34/06/00/322340600.db2.gz UCCOAFFNUAOBHW-CXAGYDPISA-N 1 3 294.870 3.448 20 0 CGADHO COC1(CN(C)CC[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000361565447 381808546 /nfs/dbraw/zinc/80/85/46/381808546.db2.gz PJXOUPCXZFNOAO-MRXNPFEDSA-N 1 3 282.472 3.142 20 0 CGADHO COC1(CN(C)CC[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC000361565447 381808555 /nfs/dbraw/zinc/80/85/55/381808555.db2.gz PJXOUPCXZFNOAO-MRXNPFEDSA-N 1 3 282.472 3.142 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000361973897 381878890 /nfs/dbraw/zinc/87/88/90/381878890.db2.gz ZCVVBRSLHJVVSI-OGHNNQOOSA-N 1 3 276.399 3.275 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)[C@@H]2CCCC[C@@H]21 ZINC000363753341 382252687 /nfs/dbraw/zinc/25/26/87/382252687.db2.gz TUUOLNBHIBRQFE-JZAWBGDQSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000365881686 382298068 /nfs/dbraw/zinc/29/80/68/382298068.db2.gz MJFVJHOZEKVUGC-ZACQAIPSSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000365881686 382298074 /nfs/dbraw/zinc/29/80/74/382298074.db2.gz MJFVJHOZEKVUGC-ZACQAIPSSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000365881686 382298080 /nfs/dbraw/zinc/29/80/80/382298080.db2.gz MJFVJHOZEKVUGC-ZACQAIPSSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000365881686 382298082 /nfs/dbraw/zinc/29/80/82/382298082.db2.gz MJFVJHOZEKVUGC-ZACQAIPSSA-N 1 3 296.524 3.326 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000251147295 542345585 /nfs/dbraw/zinc/34/55/85/542345585.db2.gz GEINXAMACOBKQG-FUHWJXTLSA-N 1 3 272.436 3.267 20 0 CGADHO CSc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000423396782 533005132 /nfs/dbraw/zinc/00/51/32/533005132.db2.gz SOCRVFJVLUPGRZ-UHTWSYAYSA-N 1 3 282.428 3.468 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414210271 285157324 /nfs/dbraw/zinc/15/73/24/285157324.db2.gz UGRPFYQKYMPPHD-RYRKJORJSA-N 1 3 296.499 3.292 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCN(C)c3ccccc32)CC1 ZINC000334579909 285191587 /nfs/dbraw/zinc/19/15/87/285191587.db2.gz OUMSKZLMESVIPN-QGZVFWFLSA-N 1 3 287.451 3.032 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000312001600 542431462 /nfs/dbraw/zinc/43/14/62/542431462.db2.gz GVPYYKWFDMPDEC-OIISXLGYSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000312001595 542431692 /nfs/dbraw/zinc/43/16/92/542431692.db2.gz GVPYYKWFDMPDEC-HYVNUMGLSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000324022716 542441549 /nfs/dbraw/zinc/44/15/49/542441549.db2.gz RZSRXYMHEMTWJB-KRWDZBQOSA-N 1 3 273.424 3.075 20 0 CGADHO COc1ccc([C@H](NCCC[NH2+]C2CC2)C(C)C)cc1 ZINC000423564863 533193753 /nfs/dbraw/zinc/19/37/53/533193753.db2.gz SGAMDIUNETYORY-QGZVFWFLSA-N 1 3 276.424 3.124 20 0 CGADHO COc1ccc([C@H]([NH2+]CCCNC2CC2)C(C)C)cc1 ZINC000423564863 533193762 /nfs/dbraw/zinc/19/37/62/533193762.db2.gz SGAMDIUNETYORY-QGZVFWFLSA-N 1 3 276.424 3.124 20 0 CGADHO COc1ccc2cc(C[NH2+][C@@H]3CCCC[C@H]3N)ccc2c1 ZINC000424370477 533330759 /nfs/dbraw/zinc/33/07/59/533330759.db2.gz COPPBEYDIVIGDT-QZTJIDSGSA-N 1 3 284.403 3.208 20 0 CGADHO C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1F ZINC000423429879 533436265 /nfs/dbraw/zinc/43/62/65/533436265.db2.gz TVOUDEHJRSWJJZ-JHJVBQTASA-N 1 3 282.378 3.381 20 0 CGADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(c1ccccc1)c1ccccc1 ZINC000423422150 533531705 /nfs/dbraw/zinc/53/17/05/533531705.db2.gz CYFKNFSZLRWNMF-QKUWSGOFSA-N 1 3 292.426 3.014 20 0 CGADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169538 533543620 /nfs/dbraw/zinc/54/36/20/533543620.db2.gz OPGYLELBNDOWBX-JMSVASOKSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169538 533543624 /nfs/dbraw/zinc/54/36/24/533543624.db2.gz OPGYLELBNDOWBX-JMSVASOKSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000423406893 533546705 /nfs/dbraw/zinc/54/67/05/533546705.db2.gz VFVQRCWPIBJMRF-NUJGCVRESA-N 1 3 286.463 3.475 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000414916525 542639599 /nfs/dbraw/zinc/63/95/99/542639599.db2.gz OSXTYDNJLBMLNU-MHORFTMASA-N 1 3 272.436 3.356 20 0 CGADHO C[C@H](C[NH3+])CNCc1cccc(-c2ccccc2)c1 ZINC000414870736 542639775 /nfs/dbraw/zinc/63/97/75/542639775.db2.gz CGOHOMPDGMWTPU-CQSZACIVSA-N 1 3 254.377 3.038 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000414907144 542639864 /nfs/dbraw/zinc/63/98/64/542639864.db2.gz ALJZRWDHMUFKHB-GHMZBOCLSA-N 1 3 290.304 3.204 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000414928979 542640499 /nfs/dbraw/zinc/64/04/99/542640499.db2.gz QWIASLNXVIDHNU-HXSCFSKGSA-N 1 3 252.446 3.451 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000414925788 542641202 /nfs/dbraw/zinc/64/12/02/542641202.db2.gz MDCPFZOPVNVZCU-JKSUJKDBSA-N 1 3 276.424 3.095 20 0 CGADHO C[C@H](CNCCC[NH3+])c1c(Cl)cccc1Cl ZINC000415089424 542641835 /nfs/dbraw/zinc/64/18/35/542641835.db2.gz XQCCJWBMVMIXTH-SECBINFHSA-N 1 3 261.196 3.035 20 0 CGADHO C[C@H](C[NH2+]CCCN)c1c(Cl)cccc1Cl ZINC000415089424 542641838 /nfs/dbraw/zinc/64/18/38/542641838.db2.gz XQCCJWBMVMIXTH-SECBINFHSA-N 1 3 261.196 3.035 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000051626157 392071165 /nfs/dbraw/zinc/07/11/65/392071165.db2.gz NOVIMAGQCZCPHH-NPYXIHBLSA-N 1 3 258.409 3.353 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000051626157 392071170 /nfs/dbraw/zinc/07/11/70/392071170.db2.gz NOVIMAGQCZCPHH-NPYXIHBLSA-N 1 3 258.409 3.353 20 0 CGADHO CN(C/C=C/Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821634 392232144 /nfs/dbraw/zinc/23/21/44/392232144.db2.gz RADDQCRCARDSDK-KRXBUXKQSA-N 1 3 293.842 3.372 20 0 CGADHO CC1(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000434773021 542656905 /nfs/dbraw/zinc/65/69/05/542656905.db2.gz FCLNIXIXCBDTPW-SFHVURJKSA-N 1 3 286.463 3.331 20 0 CGADHO CC1(C[NH2+]CC2CCN(c3ccncc3)CC2)CCC1 ZINC000434786574 542656951 /nfs/dbraw/zinc/65/69/51/542656951.db2.gz SNYOVOBQZFWLSX-UHFFFAOYSA-N 1 3 273.424 3.078 20 0 CGADHO FCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075653 392469606 /nfs/dbraw/zinc/46/96/06/392469606.db2.gz WGTVKGAJNQXDJP-ZBFHGGJFSA-N 1 3 268.420 3.075 20 0 CGADHO FCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367075653 392469609 /nfs/dbraw/zinc/46/96/09/392469609.db2.gz WGTVKGAJNQXDJP-ZBFHGGJFSA-N 1 3 268.420 3.075 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(CCc3ccc4ccccc4c3)C2)C1 ZINC000366482154 392454474 /nfs/dbraw/zinc/45/44/74/392454474.db2.gz MRZHZXQYPILJSZ-FQEVSTJZSA-N 1 3 294.442 3.410 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(CCc3ccc4ccccc4c3)C2)C1 ZINC000366482154 392454478 /nfs/dbraw/zinc/45/44/78/392454478.db2.gz MRZHZXQYPILJSZ-FQEVSTJZSA-N 1 3 294.442 3.410 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000293751425 392526969 /nfs/dbraw/zinc/52/69/69/392526969.db2.gz QIVKZTRLOJDDSY-DKIMLUQUSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000293751425 392526972 /nfs/dbraw/zinc/52/69/72/392526972.db2.gz QIVKZTRLOJDDSY-DKIMLUQUSA-N 1 3 288.410 3.288 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccsc1 ZINC000294188056 392533922 /nfs/dbraw/zinc/53/39/22/392533922.db2.gz FMXBVAHAPOMZEE-CQSZACIVSA-N 1 3 252.427 3.275 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cncs1 ZINC000157921555 392551823 /nfs/dbraw/zinc/55/18/23/392551823.db2.gz HIIDCQPZJRTKCK-KBPBESRZSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cncs1 ZINC000157921555 392551826 /nfs/dbraw/zinc/55/18/26/392551826.db2.gz HIIDCQPZJRTKCK-KBPBESRZSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090782 392671713 /nfs/dbraw/zinc/67/17/13/392671713.db2.gz ZEPDHZDRQMHRQR-BFQNTYOBSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090782 392671715 /nfs/dbraw/zinc/67/17/15/392671715.db2.gz ZEPDHZDRQMHRQR-BFQNTYOBSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000647344808 392694925 /nfs/dbraw/zinc/69/49/25/392694925.db2.gz ZQQOKJNFBPKFCA-JQHSSLGASA-N 1 3 295.430 3.078 20 0 CGADHO CC(C)C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000647281181 392633506 /nfs/dbraw/zinc/63/35/06/392633506.db2.gz AWLJNWCSLOOJED-SFHVURJKSA-N 1 3 287.451 3.385 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647282312 392635861 /nfs/dbraw/zinc/63/58/61/392635861.db2.gz NPHOOVNRFXPTEE-MAUKXSAKSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282312 392635863 /nfs/dbraw/zinc/63/58/63/392635863.db2.gz NPHOOVNRFXPTEE-MAUKXSAKSA-N 1 3 287.451 3.243 20 0 CGADHO c1cc(C2CC2)ccc1C[N@H+](C1CC1)C1CCNCC1 ZINC000647482690 392737585 /nfs/dbraw/zinc/73/75/85/392737585.db2.gz YNUKQVVLQZUHRS-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO c1cc(C2CC2)ccc1C[N@@H+](C1CC1)C1CCNCC1 ZINC000647482690 392737591 /nfs/dbraw/zinc/73/75/91/392737591.db2.gz YNUKQVVLQZUHRS-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO CC[C@@H]1CN(CCCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647497365 392740733 /nfs/dbraw/zinc/74/07/33/392740733.db2.gz FAMPRRXWWXKCAC-SJLPKXTDSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@]1(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514207 392746804 /nfs/dbraw/zinc/74/68/04/392746804.db2.gz PLZZSQFIQJPJTD-APWZRJJASA-N 1 3 297.446 3.347 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CCC(C)([NH3+])CC1 ZINC000647530787 392752373 /nfs/dbraw/zinc/75/23/73/392752373.db2.gz FRJZPPLYSMQCTP-OAHLLOKOSA-N 1 3 260.425 3.069 20 0 CGADHO Clc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647550974 392764332 /nfs/dbraw/zinc/76/43/32/392764332.db2.gz RBBZCKVCHVWCLE-SCDSUCTJSA-N 1 3 299.245 3.471 20 0 CGADHO COc1ccsc1[C@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000186116173 392778407 /nfs/dbraw/zinc/77/84/07/392778407.db2.gz PFDRMTVJXQBQRY-LBPRGKRZSA-N 1 3 294.464 3.282 20 0 CGADHO Clc1ccccc1C1(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647800925 392803322 /nfs/dbraw/zinc/80/33/22/392803322.db2.gz MINQIRLDZGEHKD-HZSPNIEDSA-N 1 3 290.838 3.307 20 0 CGADHO Cc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)c(C)n1 ZINC000647803343 392805179 /nfs/dbraw/zinc/80/51/79/392805179.db2.gz WQIBCIKWBYMSLR-CYBMUJFWSA-N 1 3 269.392 3.008 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CC1=CCN(C)CC1 ZINC000510717557 392811837 /nfs/dbraw/zinc/81/18/37/392811837.db2.gz RMJZFRKYWGHPOS-CYBMUJFWSA-N 1 3 294.389 3.137 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647879493 392820798 /nfs/dbraw/zinc/82/07/98/392820798.db2.gz ASKAWVGONPIVTO-RDTXWAMCSA-N 1 3 270.420 3.138 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000337998522 392895844 /nfs/dbraw/zinc/89/58/44/392895844.db2.gz NVAPBMKLCFLBLG-JJXSEGSLSA-N 1 3 268.420 3.121 20 0 CGADHO CC[C@@H]1Cc2ccccc2CN1CC[C@H]1CCC[N@@H+]1C ZINC000342353705 393000232 /nfs/dbraw/zinc/00/02/32/393000232.db2.gz DZCVCIXIEVWOCL-QZTJIDSGSA-N 1 3 272.436 3.308 20 0 CGADHO CC[C@@H]1Cc2ccccc2CN1CC[C@H]1CCC[N@H+]1C ZINC000342353705 393000237 /nfs/dbraw/zinc/00/02/37/393000237.db2.gz DZCVCIXIEVWOCL-QZTJIDSGSA-N 1 3 272.436 3.308 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CCN3CCC[C@@H]3C1)C2 ZINC000648427498 393012603 /nfs/dbraw/zinc/01/26/03/393012603.db2.gz WQBZDNHDWLLFNT-GBESFXJTSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000648427498 393012609 /nfs/dbraw/zinc/01/26/09/393012609.db2.gz WQBZDNHDWLLFNT-GBESFXJTSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000648427498 393012615 /nfs/dbraw/zinc/01/26/15/393012615.db2.gz WQBZDNHDWLLFNT-GBESFXJTSA-N 1 3 284.447 3.150 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cc(Cl)ccc2F)C1 ZINC000414989544 393083025 /nfs/dbraw/zinc/08/30/25/393083025.db2.gz HMESIWBAVYNQKS-ZWNOBZJWSA-N 1 3 270.779 3.086 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2ccccc2Br)C1 ZINC000415004617 393090143 /nfs/dbraw/zinc/09/01/43/393090143.db2.gz YJBRMGZOIZIIKN-DGCLKSJQSA-N 1 3 297.240 3.056 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415010499 393093258 /nfs/dbraw/zinc/09/32/58/393093258.db2.gz UZCSHYVPKOXFRP-QANKJYHBSA-N 1 3 290.426 3.297 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2nc3ccc(F)cc3s2)C1 ZINC000415012436 393095116 /nfs/dbraw/zinc/09/51/16/393095116.db2.gz XEVKWEAUCLTFTN-ZYHUDNBSSA-N 1 3 293.411 3.043 20 0 CGADHO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346825177 393096058 /nfs/dbraw/zinc/09/60/58/393096058.db2.gz AURMRIDESFZOTM-RDJZCZTQSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346825177 393096065 /nfs/dbraw/zinc/09/60/65/393096065.db2.gz AURMRIDESFZOTM-RDJZCZTQSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@H](C)N(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346825177 393096068 /nfs/dbraw/zinc/09/60/68/393096068.db2.gz AURMRIDESFZOTM-RDJZCZTQSA-N 1 3 260.425 3.287 20 0 CGADHO CCCCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000415014013 393097092 /nfs/dbraw/zinc/09/70/92/393097092.db2.gz WDSMYPGWSQYLJV-ZIAGYGMSSA-N 1 3 264.413 3.081 20 0 CGADHO Cc1cccc(C)c1[C@H](C)[NH2+]CCCN1CCCC1 ZINC000546227887 393041150 /nfs/dbraw/zinc/04/11/50/393041150.db2.gz FNVAAHZAPWOFKS-INIZCTEOSA-N 1 3 260.425 3.440 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H](N)CC(C)C ZINC000414730233 393051787 /nfs/dbraw/zinc/05/17/87/393051787.db2.gz AJOMIGWSEXWBFH-ZENOOKHLSA-N 1 3 298.858 3.379 20 0 CGADHO C[C@H]1C[C@@H](CN2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700853 393053095 /nfs/dbraw/zinc/05/30/95/393053095.db2.gz GQGVGXUXJQOMHY-STQMWFEESA-N 1 3 278.827 3.086 20 0 CGADHO CC[C@H]([NH3+])CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414984228 393078852 /nfs/dbraw/zinc/07/88/52/393078852.db2.gz FZZGDTYTMSCBBX-GWCFXTLKSA-N 1 3 274.330 3.136 20 0 CGADHO c1cc2c(cc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCCN2 ZINC000414982842 393079152 /nfs/dbraw/zinc/07/91/52/393079152.db2.gz STFYZYSNJSWKFY-YTQUADARSA-N 1 3 299.462 3.055 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2c(c1)NCCC2 ZINC000415044759 393110646 /nfs/dbraw/zinc/11/06/46/393110646.db2.gz XQLRTIKREFPEQC-YTQUADARSA-N 1 3 299.462 3.055 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415075429 393132514 /nfs/dbraw/zinc/13/25/14/393132514.db2.gz FHPHTTWAGGAOGW-OQIJWPOYSA-N 1 3 284.447 3.227 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000415087032 393138182 /nfs/dbraw/zinc/13/81/82/393138182.db2.gz KHCHAXXZBYKCBV-GUDVDZBRSA-N 1 3 286.463 3.356 20 0 CGADHO CCC[N@H+](C[C@@H]1CCCNC1)[C@H]1CCc2ccccc21 ZINC000261659627 393141564 /nfs/dbraw/zinc/14/15/64/393141564.db2.gz ZARAXXIRGJJIIG-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCc2ccccc21 ZINC000261659627 393141570 /nfs/dbraw/zinc/14/15/70/393141570.db2.gz ZARAXXIRGJJIIG-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415104065 393147551 /nfs/dbraw/zinc/14/75/51/393147551.db2.gz DMJAPKDXDGGKPG-FGTMMUONSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000415115308 393149137 /nfs/dbraw/zinc/14/91/37/393149137.db2.gz DNCREPKTUANTIX-RISCZKNCSA-N 1 3 254.805 3.364 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000271919911 393257243 /nfs/dbraw/zinc/25/72/43/393257243.db2.gz ZVWRXXARUASTHV-KSSFIOAISA-N 1 3 270.420 3.477 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1nc2c(s1)CCCC2 ZINC000648753069 393237103 /nfs/dbraw/zinc/23/71/03/393237103.db2.gz JJMWBPMUZJXZHP-UHFFFAOYSA-N 1 3 295.496 3.232 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423208831 285524537 /nfs/dbraw/zinc/52/45/37/285524537.db2.gz HZOXHPDJTINNBA-CXAGYDPISA-N 1 3 283.419 3.135 20 0 CGADHO c1ccc(SCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420388001 393480846 /nfs/dbraw/zinc/48/08/46/393480846.db2.gz GVDHSOIIQQOYSD-NVXWUHKLSA-N 1 3 290.476 3.243 20 0 CGADHO CC(C)N(CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420298358 393453214 /nfs/dbraw/zinc/45/32/14/393453214.db2.gz FBHJEPOTJSPZNH-CQSZACIVSA-N 1 3 264.388 3.036 20 0 CGADHO CC[N@H+](CCCCC(F)(F)F)[C@H]1CCCNCC1 ZINC000420319593 393463571 /nfs/dbraw/zinc/46/35/71/393463571.db2.gz XVZHYDPZDYVMDG-LBPRGKRZSA-N 1 3 266.351 3.183 20 0 CGADHO CC[N@@H+](CCCCC(F)(F)F)[C@H]1CCCNCC1 ZINC000420319593 393463573 /nfs/dbraw/zinc/46/35/73/393463573.db2.gz XVZHYDPZDYVMDG-LBPRGKRZSA-N 1 3 266.351 3.183 20 0 CGADHO FCCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321144 393465149 /nfs/dbraw/zinc/46/51/49/393465149.db2.gz ZPUMKLBDIAAJJA-AWEZNQCLSA-N 1 3 282.428 3.052 20 0 CGADHO C[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)CN1CCCC1 ZINC000488435881 393512237 /nfs/dbraw/zinc/51/22/37/393512237.db2.gz WMRYVMXGFCAWAP-RBSFLKMASA-N 1 3 284.513 3.228 20 0 CGADHO C[C@H](CN[C@H]1CS[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000488435881 393512243 /nfs/dbraw/zinc/51/22/43/393512243.db2.gz WMRYVMXGFCAWAP-RBSFLKMASA-N 1 3 284.513 3.228 20 0 CGADHO Cc1cc(N2CCN(Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000357683883 393513759 /nfs/dbraw/zinc/51/37/59/393513759.db2.gz ABLVEBUFXOCOKU-INIZCTEOSA-N 1 3 281.403 3.101 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488466542 393524921 /nfs/dbraw/zinc/52/49/21/393524921.db2.gz VXIZKMJKXVTFFP-KGLIPLIRSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488466542 393524924 /nfs/dbraw/zinc/52/49/24/393524924.db2.gz VXIZKMJKXVTFFP-KGLIPLIRSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488466542 393524929 /nfs/dbraw/zinc/52/49/29/393524929.db2.gz VXIZKMJKXVTFFP-KGLIPLIRSA-N 1 3 272.502 3.227 20 0 CGADHO CC[NH2+]CC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000430567514 393575923 /nfs/dbraw/zinc/57/59/23/393575923.db2.gz DTOPYHQAYPKSKW-UHFFFAOYSA-N 1 3 298.833 3.343 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000666857970 542822011 /nfs/dbraw/zinc/82/20/11/542822011.db2.gz RJZZFRVKWXLWRE-BZSNNMDCSA-N 1 3 272.436 3.363 20 0 CGADHO Cc1cccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432414457 393611111 /nfs/dbraw/zinc/61/11/11/393611111.db2.gz KTEWITBHUBRWBC-SJORKVTESA-N 1 3 290.451 3.147 20 0 CGADHO Cc1cccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432414457 393611112 /nfs/dbraw/zinc/61/11/12/393611112.db2.gz KTEWITBHUBRWBC-SJORKVTESA-N 1 3 290.451 3.147 20 0 CGADHO CC[C@@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013123 393625537 /nfs/dbraw/zinc/62/55/37/393625537.db2.gz LROWEAZRVLHAER-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H](C)C2CNC2)CC1 ZINC000422757944 393642139 /nfs/dbraw/zinc/64/21/39/393642139.db2.gz DITCGKILPHISMV-GRTSSRMGSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422812820 393644397 /nfs/dbraw/zinc/64/43/97/393644397.db2.gz RATUGTSPZKTQQW-PVAVHDDUSA-N 1 3 260.425 3.014 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423041167 393649656 /nfs/dbraw/zinc/64/96/56/393649656.db2.gz WGZPLLSFPXTPOJ-OXIQGZBJSA-N 1 3 284.831 3.131 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000423149986 393651587 /nfs/dbraw/zinc/65/15/87/393651587.db2.gz YJLTWDLSYNDTAG-DQYPLSBCSA-N 1 3 276.399 3.181 20 0 CGADHO CC(C)[C@@H]([NH2+]CC1(N)CCCCC1)c1cccnc1 ZINC000423175134 393652894 /nfs/dbraw/zinc/65/28/94/393652894.db2.gz DDRTTWSNKYSPBS-OAHLLOKOSA-N 1 3 261.413 3.030 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423258833 393655995 /nfs/dbraw/zinc/65/59/95/393655995.db2.gz CPAHVLJSHKJCJJ-OCCSQVGLSA-N 1 3 260.381 3.457 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(OC)cc1 ZINC000423361731 393664303 /nfs/dbraw/zinc/66/43/03/393664303.db2.gz AOYFEBCNZPNFHZ-XKQJLSEDSA-N 1 3 276.424 3.124 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000492817497 393767152 /nfs/dbraw/zinc/76/71/52/393767152.db2.gz KNIVZBLKISHDGV-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498840911 393785871 /nfs/dbraw/zinc/78/58/71/393785871.db2.gz ZVTOTGWRJRVDLB-QGZVFWFLSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000498840911 393785874 /nfs/dbraw/zinc/78/58/74/393785874.db2.gz ZVTOTGWRJRVDLB-QGZVFWFLSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000498840911 393785879 /nfs/dbraw/zinc/78/58/79/393785879.db2.gz ZVTOTGWRJRVDLB-QGZVFWFLSA-N 1 3 266.473 3.476 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc(F)cc1 ZINC000499066812 393790547 /nfs/dbraw/zinc/79/05/47/393790547.db2.gz DMCLVPRLHDNVAG-QGZVFWFLSA-N 1 3 278.415 3.174 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc(F)cc1 ZINC000499066812 393790549 /nfs/dbraw/zinc/79/05/49/393790549.db2.gz DMCLVPRLHDNVAG-QGZVFWFLSA-N 1 3 278.415 3.174 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(F)cc1 ZINC000666993724 542832963 /nfs/dbraw/zinc/83/29/63/542832963.db2.gz GLTFFHZJRJHOSR-BBRMVZONSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1 ZINC000666993724 542832966 /nfs/dbraw/zinc/83/29/66/542832966.db2.gz GLTFFHZJRJHOSR-BBRMVZONSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995546 542834056 /nfs/dbraw/zinc/83/40/56/542834056.db2.gz QWIQFNJWYISVRY-RDJZCZTQSA-N 1 3 272.436 3.190 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995546 542834057 /nfs/dbraw/zinc/83/40/57/542834057.db2.gz QWIQFNJWYISVRY-RDJZCZTQSA-N 1 3 272.436 3.190 20 0 CGADHO C1CC1[C@@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000453059069 394156326 /nfs/dbraw/zinc/15/63/26/394156326.db2.gz HZBRBRYBIKFULW-IKGGRYGDSA-N 1 3 262.441 3.172 20 0 CGADHO Cc1cccc2[nH]c(C[N@@H+](C)C[C@@H]3CCCN(C)C3)cc21 ZINC000667517714 542882994 /nfs/dbraw/zinc/88/29/94/542882994.db2.gz CLERUSBEKGCRKT-OAHLLOKOSA-N 1 3 285.435 3.250 20 0 CGADHO Cc1cccc2[nH]c(C[N@H+](C)C[C@@H]3CCCN(C)C3)cc21 ZINC000667517714 542882996 /nfs/dbraw/zinc/88/29/96/542882996.db2.gz CLERUSBEKGCRKT-OAHLLOKOSA-N 1 3 285.435 3.250 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912176 542944397 /nfs/dbraw/zinc/94/43/97/542944397.db2.gz ACEZGDDTHNRLMI-YVSFHVDLSA-N 1 3 264.457 3.133 20 0 CGADHO CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172774 542980433 /nfs/dbraw/zinc/98/04/33/542980433.db2.gz SWZRRPGXOLQPCV-YJBOKZPZSA-N 1 3 290.451 3.166 20 0 CGADHO CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172774 542980436 /nfs/dbraw/zinc/98/04/36/542980436.db2.gz SWZRRPGXOLQPCV-YJBOKZPZSA-N 1 3 290.451 3.166 20 0 CGADHO CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000668172771 542980785 /nfs/dbraw/zinc/98/07/85/542980785.db2.gz SWZRRPGXOLQPCV-CRAIPNDOSA-N 1 3 290.451 3.166 20 0 CGADHO CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000668172771 542980787 /nfs/dbraw/zinc/98/07/87/542980787.db2.gz SWZRRPGXOLQPCV-CRAIPNDOSA-N 1 3 290.451 3.166 20 0 CGADHO CCC(C)(C)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668477874 543018265 /nfs/dbraw/zinc/01/82/65/543018265.db2.gz HQWKWEUEDPQQJK-CQSZACIVSA-N 1 3 275.440 3.465 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668814 543041268 /nfs/dbraw/zinc/04/12/68/543041268.db2.gz DHCGSSCIYBQPMX-WJNMYVKJSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668814 543041270 /nfs/dbraw/zinc/04/12/70/543041270.db2.gz DHCGSSCIYBQPMX-WJNMYVKJSA-N 1 3 276.468 3.418 20 0 CGADHO C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679391 397675093 /nfs/dbraw/zinc/67/50/93/397675093.db2.gz OPGVLVAVLUWFCT-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1C(F)(F)F ZINC000419744119 397700359 /nfs/dbraw/zinc/70/03/59/397700359.db2.gz HZVYIMANSTUYEO-LLVKDONJSA-N 1 3 288.357 3.301 20 0 CGADHO CCCOc1cccc(CNCc2ccccc2C[NH2+]C)c1 ZINC000650718499 397901651 /nfs/dbraw/zinc/90/16/51/397901651.db2.gz PHCJEHXZFYKHNF-UHFFFAOYSA-N 1 3 298.430 3.485 20 0 CGADHO CC(C)c1nc([C@@H](C)NCCC2(C[NH3+])CC2)cs1 ZINC000650746728 397906686 /nfs/dbraw/zinc/90/66/86/397906686.db2.gz JXXISNRYYFAIMA-LLVKDONJSA-N 1 3 267.442 3.046 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000650758268 397910684 /nfs/dbraw/zinc/91/06/84/397910684.db2.gz MDEXCXSTQJARIQ-AUUYWEPGSA-N 1 3 280.415 3.429 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCCC1 ZINC000421840010 292135746 /nfs/dbraw/zinc/13/57/46/292135746.db2.gz ZHZXUPIBFJLKAB-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000421840010 292135747 /nfs/dbraw/zinc/13/57/47/292135747.db2.gz ZHZXUPIBFJLKAB-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840010 292135748 /nfs/dbraw/zinc/13/57/48/292135748.db2.gz ZHZXUPIBFJLKAB-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)CCCC1 ZINC000421814086 292145613 /nfs/dbraw/zinc/14/56/13/292145613.db2.gz INNUBZUJBZRHQO-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421814086 292145615 /nfs/dbraw/zinc/14/56/15/292145615.db2.gz INNUBZUJBZRHQO-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421814086 292145616 /nfs/dbraw/zinc/14/56/16/292145616.db2.gz INNUBZUJBZRHQO-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000675722723 543357661 /nfs/dbraw/zinc/35/76/61/543357661.db2.gz OYWHFQAATQTACB-CABCVRRESA-N 1 3 278.440 3.466 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](CC(C)C)c2ccccn2)CC1 ZINC000675819079 543367728 /nfs/dbraw/zinc/36/77/28/543367728.db2.gz QTLAYCOVMUIWIR-SFHVURJKSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000675925814 543374321 /nfs/dbraw/zinc/37/43/21/543374321.db2.gz FASDTZKBCIYWSW-JKSUJKDBSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677240413 543441235 /nfs/dbraw/zinc/44/12/35/543441235.db2.gz HQLSGMHRVLPHNK-MSOLQXFVSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677240413 543441237 /nfs/dbraw/zinc/44/12/37/543441237.db2.gz HQLSGMHRVLPHNK-MSOLQXFVSA-N 1 3 272.436 3.062 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678285581 543511419 /nfs/dbraw/zinc/51/14/19/543511419.db2.gz OJJDBBDCIIEAGH-OAHLLOKOSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678285581 543511422 /nfs/dbraw/zinc/51/14/22/543511422.db2.gz OJJDBBDCIIEAGH-OAHLLOKOSA-N 1 3 272.436 3.338 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC([NH3+])(CC)CC)C12CCCCC2 ZINC000423286861 286278852 /nfs/dbraw/zinc/27/88/52/286278852.db2.gz JDHIQGYVFNNQTO-HUUCEWRRSA-N 1 3 282.472 3.221 20 0 CGADHO COCC1CCC([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000449215373 292264505 /nfs/dbraw/zinc/26/45/05/292264505.db2.gz XXEOBCOBKGGCDX-LXPRWKDFSA-N 1 3 296.499 3.149 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000514862756 286356958 /nfs/dbraw/zinc/35/69/58/286356958.db2.gz HQANQZBPKBTQQU-BQFCYCMXSA-N 1 3 288.435 3.002 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000514862756 286356961 /nfs/dbraw/zinc/35/69/61/286356961.db2.gz HQANQZBPKBTQQU-BQFCYCMXSA-N 1 3 288.435 3.002 20 0 CGADHO CCO[C@H](CC[NH2+][C@H]1CCCC[C@H]1CN)C1CCCC1 ZINC000422830192 286446666 /nfs/dbraw/zinc/44/66/66/286446666.db2.gz VJOPITGQNRVQOI-YESZJQIVSA-N 1 3 282.472 3.079 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H](C)C2 ZINC000272587515 292352207 /nfs/dbraw/zinc/35/22/07/292352207.db2.gz HKSPYOXXRYIBJL-KDOFPFPSSA-N 1 3 270.420 3.080 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000449171926 286662210 /nfs/dbraw/zinc/66/22/10/286662210.db2.gz LGEMNHBTTDEDRL-CKUJCDMFSA-N 1 3 284.513 3.371 20 0 CGADHO Cc1csc(C2(N[C@@H](C)C3CC[NH+](C)CC3)CCC2)n1 ZINC000679023570 543583687 /nfs/dbraw/zinc/58/36/87/543583687.db2.gz RNNIBSZWWMPMLA-ZDUSSCGKSA-N 1 3 293.480 3.151 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000422716582 298399719 /nfs/dbraw/zinc/39/97/19/298399719.db2.gz ULCWPQNSBPEENI-DYVFJYSZSA-N 1 3 287.382 3.027 20 0 CGADHO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CCCNC1 ZINC000414854478 287020597 /nfs/dbraw/zinc/02/05/97/287020597.db2.gz LYAFWLLIAPATFG-HIFRSBDPSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000247007542 287023030 /nfs/dbraw/zinc/02/30/30/287023030.db2.gz LZFBXDRYMGDZIP-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cc(C)cc(C)c2)CC1 ZINC000077249395 287038361 /nfs/dbraw/zinc/03/83/61/287038361.db2.gz WBQAHQANYOFROD-UHFFFAOYSA-N 1 3 260.425 3.220 20 0 CGADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000183192364 287063032 /nfs/dbraw/zinc/06/30/32/287063032.db2.gz FNSYEBUIJBWHRT-UMVBOHGHSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459210 287065756 /nfs/dbraw/zinc/06/57/56/287065756.db2.gz JBFSWRGNGXNEPJ-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)C12CCCCC2 ZINC000087295302 165186975 /nfs/dbraw/zinc/18/69/75/165186975.db2.gz QCCXMRGSBWSWBD-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089140558 165197971 /nfs/dbraw/zinc/19/79/71/165197971.db2.gz JNGYUXWXBRCSPX-SJORKVTESA-N 1 3 285.435 3.139 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089140561 165201074 /nfs/dbraw/zinc/20/10/74/165201074.db2.gz JNGYUXWXBRCSPX-DLBZAZTESA-N 1 3 285.435 3.139 20 0 CGADHO CCCOc1cccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253768 165288212 /nfs/dbraw/zinc/28/82/12/165288212.db2.gz WDHHYLQKMHFLQO-KRWDZBQOSA-N 1 3 290.451 3.249 20 0 CGADHO CCCOc1cccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253768 165288215 /nfs/dbraw/zinc/28/82/15/165288215.db2.gz WDHHYLQKMHFLQO-KRWDZBQOSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccccc1N(C)C ZINC000093941619 165344154 /nfs/dbraw/zinc/34/41/54/165344154.db2.gz IZJTUVKDGMDNSP-INIZCTEOSA-N 1 3 289.467 3.279 20 0 CGADHO c1cc(C[NH2+]CCCN2CCCC2)cc(C2CC2)c1 ZINC000094518041 165353100 /nfs/dbraw/zinc/35/31/00/165353100.db2.gz OALUIXDPMPOMFK-UHFFFAOYSA-N 1 3 258.409 3.140 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000122238356 287207862 /nfs/dbraw/zinc/20/78/62/287207862.db2.gz KOKRUSIEMYOBIY-GOEBONIOSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000122238356 287207864 /nfs/dbraw/zinc/20/78/64/287207864.db2.gz KOKRUSIEMYOBIY-GOEBONIOSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)C1CC1 ZINC000125646457 287248299 /nfs/dbraw/zinc/24/82/99/287248299.db2.gz ZYPYHZYGGRORJB-GDBMZVCRSA-N 1 3 252.446 3.133 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000020189529 171055617 /nfs/dbraw/zinc/05/56/17/171055617.db2.gz XPNIRRVUTZVONP-UHFFFAOYSA-N 1 3 298.377 3.252 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1csc(C)n1 ZINC000020252979 171105138 /nfs/dbraw/zinc/10/51/38/171105138.db2.gz LKTBEKUENOVPRP-LBPRGKRZSA-N 1 3 269.458 3.052 20 0 CGADHO COc1ccc2cc(CNC3CC[NH+](C)CC3)ccc2c1 ZINC000037248706 173061292 /nfs/dbraw/zinc/06/12/92/173061292.db2.gz HVHWKBWIEIXVAE-UHFFFAOYSA-N 1 3 284.403 3.032 20 0 CGADHO C[C@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)CN1CCCC1 ZINC000127612355 287291861 /nfs/dbraw/zinc/29/18/61/287291861.db2.gz AYKIYUKCWHOENR-CABCVRRESA-N 1 3 278.415 3.251 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423329783 287295052 /nfs/dbraw/zinc/29/50/52/287295052.db2.gz FHZKNICCQZAMGU-WCVJEAGWSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)(C)[C@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326753 175007930 /nfs/dbraw/zinc/00/79/30/175007930.db2.gz CKIYIQPHLJQCTK-LSDHHAIUSA-N 1 3 264.388 3.255 20 0 CGADHO Cc1cc(C)cc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000043393484 175034746 /nfs/dbraw/zinc/03/47/46/175034746.db2.gz NZNAEQHUWNGLOO-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](CN)C1 ZINC000050245370 416475928 /nfs/dbraw/zinc/47/59/28/416475928.db2.gz XRQDPKPKQNRQTP-ZIAGYGMSSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CN)C1 ZINC000050245370 416475933 /nfs/dbraw/zinc/47/59/33/416475933.db2.gz XRQDPKPKQNRQTP-ZIAGYGMSSA-N 1 3 254.377 3.181 20 0 CGADHO CC[C@@H]1CN(Cc2c(C)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000123598714 416506627 /nfs/dbraw/zinc/50/66/27/416506627.db2.gz LGZRFDDFMKETSM-CJNGLKHVSA-N 1 3 272.392 3.300 20 0 CGADHO CC[C@H](c1ccc(Br)cc1)N(C)CCC[NH3+] ZINC000133229822 416516303 /nfs/dbraw/zinc/51/63/03/416516303.db2.gz ROBASLWQHPEJRU-CYBMUJFWSA-N 1 3 285.229 3.181 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000129597493 287335324 /nfs/dbraw/zinc/33/53/24/287335324.db2.gz JPVALISJLUJRDR-KWCYVHTRSA-N 1 3 264.438 3.055 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000129597493 287335327 /nfs/dbraw/zinc/33/53/27/287335327.db2.gz JPVALISJLUJRDR-KWCYVHTRSA-N 1 3 264.438 3.055 20 0 CGADHO CCN(CC)CCC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679536492 543644169 /nfs/dbraw/zinc/64/41/69/543644169.db2.gz LZQRSHZMZAXJNP-KRWDZBQOSA-N 1 3 274.452 3.380 20 0 CGADHO CCN(CC)CCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679536492 543644170 /nfs/dbraw/zinc/64/41/70/543644170.db2.gz LZQRSHZMZAXJNP-KRWDZBQOSA-N 1 3 274.452 3.380 20 0 CGADHO Cc1cc(C)cc([C@@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000130251405 287348995 /nfs/dbraw/zinc/34/89/95/287348995.db2.gz CUCLOFQYFOSMCA-MRXNPFEDSA-N 1 3 260.425 3.440 20 0 CGADHO C(CN1CCCCC1)C[NH+]1C2CCCC1CCC2 ZINC000682028504 543817898 /nfs/dbraw/zinc/81/78/98/543817898.db2.gz PKXXURCSWSVVEE-UHFFFAOYSA-N 1 3 250.430 3.269 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682069793 543819578 /nfs/dbraw/zinc/81/95/78/543819578.db2.gz ADLABSAOMFIACS-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682069793 543819579 /nfs/dbraw/zinc/81/95/79/543819579.db2.gz ADLABSAOMFIACS-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069793 543819581 /nfs/dbraw/zinc/81/95/81/543819581.db2.gz ADLABSAOMFIACS-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069793 543819582 /nfs/dbraw/zinc/81/95/82/543819582.db2.gz ADLABSAOMFIACS-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000683205598 543903857 /nfs/dbraw/zinc/90/38/57/543903857.db2.gz KLSCYZIVSKVTGN-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO C[NH+]1CCC2(CCCN2Cc2cc3ccccc3[nH]2)CC1 ZINC000684024828 543962172 /nfs/dbraw/zinc/96/21/72/543962172.db2.gz FRWPFBWUWZTGNW-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cc3ccccc3[nH]2)CC1 ZINC000684024828 543962173 /nfs/dbraw/zinc/96/21/73/543962173.db2.gz FRWPFBWUWZTGNW-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cc3ccccc3[nH]2)CC1 ZINC000684024828 543962177 /nfs/dbraw/zinc/96/21/77/543962177.db2.gz FRWPFBWUWZTGNW-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCC[C@@H](OC)C1 ZINC000684369273 543987329 /nfs/dbraw/zinc/98/73/29/543987329.db2.gz RSXQEPFHFMLUQO-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684369273 543987330 /nfs/dbraw/zinc/98/73/30/543987330.db2.gz RSXQEPFHFMLUQO-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000685455670 544073541 /nfs/dbraw/zinc/07/35/41/544073541.db2.gz GFOAADMKRRGNFD-LSDHHAIUSA-N 1 3 280.481 3.389 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470074 544077855 /nfs/dbraw/zinc/07/78/55/544077855.db2.gz OWJXFOUXACAFFC-SWLSCSKDSA-N 1 3 282.378 3.396 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470074 544077856 /nfs/dbraw/zinc/07/78/56/544077856.db2.gz OWJXFOUXACAFFC-SWLSCSKDSA-N 1 3 282.378 3.396 20 0 CGADHO CC[NH+]1CCC(CCN[C@H]2CCCc3cccnc32)CC1 ZINC000684957860 544045260 /nfs/dbraw/zinc/04/52/60/544045260.db2.gz YYZHHEKPVYWZRX-KRWDZBQOSA-N 1 3 287.451 3.171 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H]1C ZINC000423395904 287410884 /nfs/dbraw/zinc/41/08/84/287410884.db2.gz SABYTMXUHVNIDD-IIYDPXPESA-N 1 3 258.409 3.204 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650741620 418936224 /nfs/dbraw/zinc/93/62/24/418936224.db2.gz HVDNLCRIAKWXTL-NTZUZEMLSA-N 1 3 284.447 3.361 20 0 CGADHO CSc1ccccc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355853 418957049 /nfs/dbraw/zinc/95/70/49/418957049.db2.gz JZMKYOXPYZEIBY-DZGCQCFKSA-N 1 3 278.465 3.358 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653563057 419050169 /nfs/dbraw/zinc/05/01/69/419050169.db2.gz WSOKYVUFQLDSRK-INIZCTEOSA-N 1 3 278.484 3.476 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653563057 419050174 /nfs/dbraw/zinc/05/01/74/419050174.db2.gz WSOKYVUFQLDSRK-INIZCTEOSA-N 1 3 278.484 3.476 20 0 CGADHO CCC(C)(C)N1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000653811699 419088317 /nfs/dbraw/zinc/08/83/17/419088317.db2.gz VBGHBNSJVHIDLZ-QGZVFWFLSA-N 1 3 295.515 3.056 20 0 CGADHO CCC(C)(C)N1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000653811699 419088320 /nfs/dbraw/zinc/08/83/20/419088320.db2.gz VBGHBNSJVHIDLZ-QGZVFWFLSA-N 1 3 295.515 3.056 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665249217 419091667 /nfs/dbraw/zinc/09/16/67/419091667.db2.gz LMGBBQXXKBJTCO-BBRMVZONSA-N 1 3 258.409 3.486 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(OC)cc1 ZINC000665249310 419092365 /nfs/dbraw/zinc/09/23/65/419092365.db2.gz MWYFOOYGEJNFNM-HNNXBMFYSA-N 1 3 262.397 3.007 20 0 CGADHO C[C@@H]1CC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000665252569 419093782 /nfs/dbraw/zinc/09/37/82/419093782.db2.gz SVOMOGHQEFQIID-LSCFUAHRSA-N 1 3 294.389 3.189 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC)c(OC)c1 ZINC000665279627 419101152 /nfs/dbraw/zinc/10/11/52/419101152.db2.gz HTTUFPRRKCZHAU-HUUCEWRRSA-N 1 3 294.439 3.118 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000665279752 419101290 /nfs/dbraw/zinc/10/12/90/419101290.db2.gz LGBSLIKDAPYLLV-HZPDHXFCSA-N 1 3 264.413 3.109 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000665281494 419103013 /nfs/dbraw/zinc/10/30/13/419103013.db2.gz FEKUJYJBRJSVLN-UKRRQHHQSA-N 1 3 294.439 3.036 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1cc(F)ccc1OC(F)F ZINC000665283052 419103270 /nfs/dbraw/zinc/10/32/70/419103270.db2.gz GOYQXSASJGJXNO-SNVBAGLBSA-N 1 3 290.329 3.034 20 0 CGADHO C[C@@H]([NH2+]CC1CC=CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000660255485 419114269 /nfs/dbraw/zinc/11/42/69/419114269.db2.gz BUBLOYUXUYLGGN-ZBFHGGJFSA-N 1 3 262.441 3.195 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694246 419067698 /nfs/dbraw/zinc/06/76/98/419067698.db2.gz FCZPFBFYLHIKEX-NVXWUHKLSA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694246 419067700 /nfs/dbraw/zinc/06/77/00/419067700.db2.gz FCZPFBFYLHIKEX-NVXWUHKLSA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694246 419067703 /nfs/dbraw/zinc/06/77/03/419067703.db2.gz FCZPFBFYLHIKEX-NVXWUHKLSA-N 1 3 272.436 3.222 20 0 CGADHO C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115417 419080742 /nfs/dbraw/zinc/08/07/42/419080742.db2.gz MYFJVBSNORWRHP-RDJZCZTQSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115417 419080747 /nfs/dbraw/zinc/08/07/47/419080747.db2.gz MYFJVBSNORWRHP-RDJZCZTQSA-N 1 3 262.441 3.125 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000656197107 419149136 /nfs/dbraw/zinc/14/91/36/419149136.db2.gz FXEKGNLXMNKABY-QZTJIDSGSA-N 1 3 281.403 3.108 20 0 CGADHO CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000656200674 419149937 /nfs/dbraw/zinc/14/99/37/419149937.db2.gz UFBJCGGOXNOTPF-USXIJHARSA-N 1 3 290.451 3.123 20 0 CGADHO COc1cccc([C@H](C)[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660658142 419177059 /nfs/dbraw/zinc/17/70/59/419177059.db2.gz CQTNMJLTQFMIPP-YJBOKZPZSA-N 1 3 288.435 3.174 20 0 CGADHO COc1cccc([C@H](C)[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660658142 419177061 /nfs/dbraw/zinc/17/70/61/419177061.db2.gz CQTNMJLTQFMIPP-YJBOKZPZSA-N 1 3 288.435 3.174 20 0 CGADHO Fc1cccc(F)c1CCC[N@H+](C1CC1)C1CCNCC1 ZINC000655936238 419128054 /nfs/dbraw/zinc/12/80/54/419128054.db2.gz BBFUISSTQGAHPC-UHFFFAOYSA-N 1 3 294.389 3.114 20 0 CGADHO Fc1cccc(F)c1CCC[N@@H+](C1CC1)C1CCNCC1 ZINC000655936238 419128056 /nfs/dbraw/zinc/12/80/56/419128056.db2.gz BBFUISSTQGAHPC-UHFFFAOYSA-N 1 3 294.389 3.114 20 0 CGADHO Fc1cccc(F)c1CCCN(C1CC1)C1CC[NH2+]CC1 ZINC000655936238 419128060 /nfs/dbraw/zinc/12/80/60/419128060.db2.gz BBFUISSTQGAHPC-UHFFFAOYSA-N 1 3 294.389 3.114 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657294197 419244969 /nfs/dbraw/zinc/24/49/69/419244969.db2.gz IEUAJLGAMXYNHL-UHFFFAOYSA-N 1 3 285.435 3.440 20 0 CGADHO CCOc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)c(C)c1 ZINC000657337421 419255055 /nfs/dbraw/zinc/25/50/55/419255055.db2.gz UXBGTZUNGQSSPH-INIZCTEOSA-N 1 3 290.451 3.215 20 0 CGADHO C[C@H](CNCC1([NH3+])CCCC1)c1cccc(Cl)c1 ZINC000656789159 419220764 /nfs/dbraw/zinc/22/07/64/419220764.db2.gz KSZUQEWKJWHWJP-GFCCVEGCSA-N 1 3 266.816 3.305 20 0 CGADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661164265 419235871 /nfs/dbraw/zinc/23/58/71/419235871.db2.gz STRNYYFZQIIYDQ-MRXNPFEDSA-N 1 3 276.424 3.333 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661998291 419321806 /nfs/dbraw/zinc/32/18/06/419321806.db2.gz IWGWLYUQVORMCK-NFOMZHRRSA-N 1 3 258.425 3.225 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCC(F)CC1 ZINC000657742820 419335868 /nfs/dbraw/zinc/33/58/68/419335868.db2.gz AYLZFEQMWOYGDZ-CHQKBHSXSA-N 1 3 268.420 3.120 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3ccoc32)CC1 ZINC000336209844 228214062 /nfs/dbraw/zinc/21/40/62/228214062.db2.gz GREBMGWXOUPVFC-MRXNPFEDSA-N 1 3 272.392 3.349 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC000336209844 228214063 /nfs/dbraw/zinc/21/40/63/228214063.db2.gz GREBMGWXOUPVFC-MRXNPFEDSA-N 1 3 272.392 3.349 20 0 CGADHO C[C@@H]1CCCN(Cc2csc(C3CC3)n2)[C@@H]1CCC[NH3+] ZINC000662316117 419389398 /nfs/dbraw/zinc/38/93/98/419389398.db2.gz KCXLVIDITQMXNR-IUODEOHRSA-N 1 3 293.480 3.360 20 0 CGADHO Fc1ccc(SCC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000662234796 419369939 /nfs/dbraw/zinc/36/99/39/419369939.db2.gz NHAODSDMLDKFEY-UHFFFAOYSA-N 1 3 294.439 3.134 20 0 CGADHO Fc1ccc(SCC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000662234796 419369944 /nfs/dbraw/zinc/36/99/44/419369944.db2.gz NHAODSDMLDKFEY-UHFFFAOYSA-N 1 3 294.439 3.134 20 0 CGADHO CNC[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662245648 419371940 /nfs/dbraw/zinc/37/19/40/419371940.db2.gz NHIJZWJIJQNGHT-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO CNC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662245648 419371945 /nfs/dbraw/zinc/37/19/45/419371945.db2.gz NHIJZWJIJQNGHT-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCCSc1ccc(F)cc1F ZINC000662249200 419371965 /nfs/dbraw/zinc/37/19/65/419371965.db2.gz JKPQETOYLBQSAN-AWEZNQCLSA-N 1 3 288.407 3.020 20 0 CGADHO c1ccc([C@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)nc1 ZINC000662260455 419377259 /nfs/dbraw/zinc/37/72/59/419377259.db2.gz LTHYIUUNOHWBML-LJQANCHMSA-N 1 3 293.414 3.064 20 0 CGADHO CCOC1CCC([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000657839698 419380463 /nfs/dbraw/zinc/38/04/63/419380463.db2.gz ZGWXXILOYUIEDH-OQSMONGASA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000658036860 419515753 /nfs/dbraw/zinc/51/57/53/419515753.db2.gz ZCBVANWKYNJBCO-ZIAGYGMSSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036860 419515758 /nfs/dbraw/zinc/51/57/58/419515758.db2.gz ZCBVANWKYNJBCO-ZIAGYGMSSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccoc1 ZINC000658166092 419632759 /nfs/dbraw/zinc/63/27/59/419632759.db2.gz MJCXVXYLWBLDSF-HNNXBMFYSA-N 1 3 299.418 3.237 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497966 419635575 /nfs/dbraw/zinc/63/55/75/419635575.db2.gz LXYNWWPMUISFTP-FXMPHUBISA-N 1 3 290.838 3.318 20 0 CGADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497129 419637501 /nfs/dbraw/zinc/63/75/01/419637501.db2.gz CHSBABVYHSWIPT-INSVGIICSA-N 1 3 284.447 3.300 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCCC1 ZINC000663468888 419620178 /nfs/dbraw/zinc/62/01/78/419620178.db2.gz NFANOQCNVXILIB-GOEBONIOSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663468501 419621539 /nfs/dbraw/zinc/62/15/39/419621539.db2.gz LMHFVTFYVVRVGK-WBVHZDCISA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)C(F)F ZINC000663466516 419622482 /nfs/dbraw/zinc/62/24/82/419622482.db2.gz UYSZLOWZIJDGTG-OCCSQVGLSA-N 1 3 288.426 3.378 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663471779 419625096 /nfs/dbraw/zinc/62/50/96/419625096.db2.gz YCYRMAGDCQXIPN-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000180155506 260094518 /nfs/dbraw/zinc/09/45/18/260094518.db2.gz XRYFCPHCBKXVPO-DAYGRLMNSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000180155506 260094519 /nfs/dbraw/zinc/09/45/19/260094519.db2.gz XRYFCPHCBKXVPO-DAYGRLMNSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000180155506 260094520 /nfs/dbraw/zinc/09/45/20/260094520.db2.gz XRYFCPHCBKXVPO-DAYGRLMNSA-N 1 3 272.436 3.160 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044534824 270036099 /nfs/dbraw/zinc/03/60/99/270036099.db2.gz SHAGQVUDTPNONF-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183124891 270054983 /nfs/dbraw/zinc/05/49/83/270054983.db2.gz KIRUOAJBNHFFLU-FGTMMUONSA-N 1 3 272.436 3.287 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527868220 270140921 /nfs/dbraw/zinc/14/09/21/270140921.db2.gz CPCZMLDFPUAXKK-BZUAXINKSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530220542 270196502 /nfs/dbraw/zinc/19/65/02/270196502.db2.gz OKFNXZAVYWKJMK-SOUVJXGZSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530220542 270196503 /nfs/dbraw/zinc/19/65/03/270196503.db2.gz OKFNXZAVYWKJMK-SOUVJXGZSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+][C@H]2CCNC23CCC3)C2CC2)c1 ZINC000530216453 270195608 /nfs/dbraw/zinc/19/56/08/270195608.db2.gz BLJXCQUQVFCZDN-MSOLQXFVSA-N 1 3 284.447 3.190 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@H]2SCCc3ccccc32)CC[N@@H+]1C ZINC000361967767 274392421 /nfs/dbraw/zinc/39/24/21/274392421.db2.gz WSXKWVKELWYQEH-UKPHBRMFSA-N 1 3 290.476 3.089 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967767 274392422 /nfs/dbraw/zinc/39/24/22/274392422.db2.gz WSXKWVKELWYQEH-UKPHBRMFSA-N 1 3 290.476 3.089 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561718 274393638 /nfs/dbraw/zinc/39/36/38/274393638.db2.gz OZYVKTMQOZFZBM-ISTRZQFTSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561718 274393639 /nfs/dbraw/zinc/39/36/39/274393639.db2.gz OZYVKTMQOZFZBM-ISTRZQFTSA-N 1 3 276.399 3.275 20 0 CGADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422752273 275394144 /nfs/dbraw/zinc/39/41/44/275394144.db2.gz CMHSUEALWVBQAX-KURKYZTESA-N 1 3 294.483 3.236 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000421374837 275814836 /nfs/dbraw/zinc/81/48/36/275814836.db2.gz HNQGYCNGEQODKC-AWEZNQCLSA-N 1 3 296.524 3.372 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414823802 276041855 /nfs/dbraw/zinc/04/18/55/276041855.db2.gz DWZWKDBJTFIJMD-QZTJIDSGSA-N 1 3 274.452 3.377 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459350072 276105925 /nfs/dbraw/zinc/10/59/25/276105925.db2.gz IKTSAWUYINKZFR-HNNXBMFYSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350072 276105927 /nfs/dbraw/zinc/10/59/27/276105927.db2.gz IKTSAWUYINKZFR-HNNXBMFYSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350072 276105929 /nfs/dbraw/zinc/10/59/29/276105929.db2.gz IKTSAWUYINKZFR-HNNXBMFYSA-N 1 3 288.426 3.476 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095168 276151640 /nfs/dbraw/zinc/15/16/40/276151640.db2.gz NZKCXSDQRGAQKZ-MRXNPFEDSA-N 1 3 278.827 3.401 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3ccccc32)CC1 ZINC000020133451 276151987 /nfs/dbraw/zinc/15/19/87/276151987.db2.gz SERDSLILMLCPNW-KRWDZBQOSA-N 1 3 258.409 3.138 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572561 276225011 /nfs/dbraw/zinc/22/50/11/276225011.db2.gz UZWYOUDUBFMRKG-ILXRZTDVSA-N 1 3 288.426 3.474 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572561 276225012 /nfs/dbraw/zinc/22/50/12/276225012.db2.gz UZWYOUDUBFMRKG-ILXRZTDVSA-N 1 3 288.426 3.474 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450462538 276247955 /nfs/dbraw/zinc/24/79/55/276247955.db2.gz HEXJMMLWLJIHHX-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450462538 276247957 /nfs/dbraw/zinc/24/79/57/276247957.db2.gz HEXJMMLWLJIHHX-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462538 276247958 /nfs/dbraw/zinc/24/79/58/276247958.db2.gz HEXJMMLWLJIHHX-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462538 276247960 /nfs/dbraw/zinc/24/79/60/276247960.db2.gz HEXJMMLWLJIHHX-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450458070 276334431 /nfs/dbraw/zinc/33/44/31/276334431.db2.gz HJDASEPYLFRRAT-AQFXKWCLSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450458070 276334432 /nfs/dbraw/zinc/33/44/32/276334432.db2.gz HJDASEPYLFRRAT-AQFXKWCLSA-N 1 3 264.457 3.230 20 0 CGADHO CNC[C@@H]1CC[N@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469992669 277029328 /nfs/dbraw/zinc/02/93/28/277029328.db2.gz MSJURQUUUOMIDF-HOCLYGCPSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CC[N@@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469992669 277029330 /nfs/dbraw/zinc/02/93/30/277029330.db2.gz MSJURQUUUOMIDF-HOCLYGCPSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C[C@@H]1CCN(C[C@@H](C)CC2CCCCC2)C1 ZINC000469992669 277029332 /nfs/dbraw/zinc/02/93/32/277029332.db2.gz MSJURQUUUOMIDF-HOCLYGCPSA-N 1 3 252.446 3.134 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954817 277078157 /nfs/dbraw/zinc/07/81/57/277078157.db2.gz VKPQHMMARSZHJG-OLZOCXBDSA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954817 277078159 /nfs/dbraw/zinc/07/81/59/277078159.db2.gz VKPQHMMARSZHJG-OLZOCXBDSA-N 1 3 278.362 3.135 20 0 CGADHO CN[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384832 277293830 /nfs/dbraw/zinc/29/38/30/277293830.db2.gz IBBICYGMIGECSH-BLLLJJGKSA-N 1 3 264.388 3.255 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@H]2COC(C)(C)C2)cc1 ZINC000396781557 288016506 /nfs/dbraw/zinc/01/65/06/288016506.db2.gz IUWCHGUVFNKJMA-QGZVFWFLSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000396903401 288017878 /nfs/dbraw/zinc/01/78/78/288017878.db2.gz FIGDDESUUCCRKE-ZWKOPEQDSA-N 1 3 272.314 3.309 20 0 CGADHO C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000396903394 288017910 /nfs/dbraw/zinc/01/79/10/288017910.db2.gz FIGDDESUUCCRKE-TVYUQYBPSA-N 1 3 272.314 3.309 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000397269637 288022646 /nfs/dbraw/zinc/02/26/46/288022646.db2.gz MECQVUCZYVNNNB-CPUCHLNUSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2cc(Cl)ccc21 ZINC000422946249 278217910 /nfs/dbraw/zinc/21/79/10/278217910.db2.gz OMZDAZBLIVRBJQ-IMSIIYSGSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H]1CC1(C)C ZINC000486938415 278266485 /nfs/dbraw/zinc/26/64/85/278266485.db2.gz PZJXKYIPVJSTFF-XJKSGUPXSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@H]1CC1(C)C ZINC000397789785 288030574 /nfs/dbraw/zinc/03/05/74/288030574.db2.gz ZDFRYRYNZRBERP-SOUVJXGZSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](NCC1(C2CCC2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423170410 288036990 /nfs/dbraw/zinc/03/69/90/288036990.db2.gz XZQLVJHUUNEDLQ-GJZGRUSLSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@H]([NH2+]CC1(C2CCC2)CCC1)[C@@H]1CCCN1 ZINC000423170410 288036993 /nfs/dbraw/zinc/03/69/93/288036993.db2.gz XZQLVJHUUNEDLQ-GJZGRUSLSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H](NC[C@@H](C)c1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000422882485 278349260 /nfs/dbraw/zinc/34/92/60/278349260.db2.gz SKTGHCPZCZACRJ-NXEZZACHSA-N 1 3 287.234 3.294 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)c1c(Cl)cccc1Cl)C1CNC1 ZINC000422882485 278349261 /nfs/dbraw/zinc/34/92/61/278349261.db2.gz SKTGHCPZCZACRJ-NXEZZACHSA-N 1 3 287.234 3.294 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337987443 278540519 /nfs/dbraw/zinc/54/05/19/278540519.db2.gz KVDNPXFGFHRKNS-IRXDYDNUSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220352 278610398 /nfs/dbraw/zinc/61/03/98/278610398.db2.gz YEYPDKZPKPPQLD-CPUCHLNUSA-N 1 3 258.409 3.214 20 0 CGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423210904 288060389 /nfs/dbraw/zinc/06/03/89/288060389.db2.gz GQXIVNCGGARBGQ-XIRDDKMYSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)c1cccc(C)c1 ZINC000423210904 288060393 /nfs/dbraw/zinc/06/03/93/288060393.db2.gz GQXIVNCGGARBGQ-XIRDDKMYSA-N 1 3 260.425 3.424 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H](Cc1ccccn1)c1ccccc1 ZINC000423055394 288063035 /nfs/dbraw/zinc/06/30/35/288063035.db2.gz VZVIUXLPWJLISB-RLFYNMQTSA-N 1 3 283.419 3.081 20 0 CGADHO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000261566246 278701500 /nfs/dbraw/zinc/70/15/00/278701500.db2.gz GJBAWFWVEVSTMW-ARFHVFGLSA-N 1 3 264.457 3.323 20 0 CGADHO CC(C)CC1(C[NH2+]C[C@@H]2CCCNC2)CCCC1 ZINC000094879509 278746139 /nfs/dbraw/zinc/74/61/39/278746139.db2.gz GSZUNEQGLJEGFM-OAHLLOKOSA-N 1 3 252.446 3.182 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422986674 279082388 /nfs/dbraw/zinc/08/23/88/279082388.db2.gz DDUDVISDSPFKEM-ZYHUDNBSSA-N 1 3 283.366 3.077 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000296441443 279138166 /nfs/dbraw/zinc/13/81/66/279138166.db2.gz NVGOYRKQNBRUMR-RLFYNMQTSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@@]1(CCc2ccccc2)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261681844 279157846 /nfs/dbraw/zinc/15/78/46/279157846.db2.gz AHSJNKCIGYSYDF-RTBURBONSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423222843 279399970 /nfs/dbraw/zinc/39/99/70/279399970.db2.gz CXZVLNDUHHCUMF-KBXCAEBGSA-N 1 3 286.394 3.436 20 0 CGADHO CCS[C@@H]1CCC[C@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000422818377 280051400 /nfs/dbraw/zinc/05/14/00/280051400.db2.gz KDEWOAKRWGJCSE-YJNKXOJESA-N 1 3 270.486 3.171 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423160027 280262289 /nfs/dbraw/zinc/26/22/89/280262289.db2.gz QHOMPIALHQCCIX-FPCVCCKLSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529537848 288260402 /nfs/dbraw/zinc/26/04/02/288260402.db2.gz HPKQEULBWLLBHB-OLZOCXBDSA-N 1 3 274.399 3.130 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530210347 288300099 /nfs/dbraw/zinc/30/00/99/288300099.db2.gz JZKKUHBMKRDRMB-DOTOQJQBSA-N 1 3 264.457 3.310 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000224113867 281125870 /nfs/dbraw/zinc/12/58/70/281125870.db2.gz VIKOJLNRJNIREZ-JLJPHGGASA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000224113867 281125872 /nfs/dbraw/zinc/12/58/72/281125872.db2.gz VIKOJLNRJNIREZ-JLJPHGGASA-N 1 3 258.409 3.055 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530179804 288296177 /nfs/dbraw/zinc/29/61/77/288296177.db2.gz YAIWFFMKYPFTLT-BBRMVZONSA-N 1 3 276.399 3.021 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000531702536 288341125 /nfs/dbraw/zinc/34/11/25/288341125.db2.gz IMKPBRKSCORRGQ-BZUAXINKSA-N 1 3 252.446 3.275 20 0 CGADHO Clc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532449507 288361429 /nfs/dbraw/zinc/36/14/29/288361429.db2.gz KXPVQLWJPMNCFU-PXAZEXFGSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000532449507 288361431 /nfs/dbraw/zinc/36/14/31/288361431.db2.gz KXPVQLWJPMNCFU-PXAZEXFGSA-N 1 3 290.838 3.401 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000532454380 288361866 /nfs/dbraw/zinc/36/18/66/288361866.db2.gz UXHVATJZVCYQCF-SJORKVTESA-N 1 3 260.425 3.417 20 0 CGADHO CCC(CC)[N@H+](CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000548776819 289021942 /nfs/dbraw/zinc/02/19/42/289021942.db2.gz AWESHECQXMSOHC-UHFFFAOYSA-N 1 3 295.515 3.056 20 0 CGADHO CCC(CC)[N@@H+](CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000548776819 289021945 /nfs/dbraw/zinc/02/19/45/289021945.db2.gz AWESHECQXMSOHC-UHFFFAOYSA-N 1 3 295.515 3.056 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)N1CCCCC1 ZINC000549038343 289032963 /nfs/dbraw/zinc/03/29/63/289032963.db2.gz YUHXSMQJVHBUFZ-JONQDZQNSA-N 1 3 250.430 3.029 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249138941 289309613 /nfs/dbraw/zinc/30/96/13/289309613.db2.gz VWKAWWNJCJSMAN-ZNMIVQPWSA-N 1 3 250.430 3.172 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)s1 ZINC000554880196 289316675 /nfs/dbraw/zinc/31/66/75/289316675.db2.gz CGMGERWNBBMPFS-HNNXBMFYSA-N 1 3 292.492 3.474 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)s1 ZINC000554880196 289316677 /nfs/dbraw/zinc/31/66/77/289316677.db2.gz CGMGERWNBBMPFS-HNNXBMFYSA-N 1 3 292.492 3.474 20 0 CGADHO C[C@H](CCCCO)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449427796 289461100 /nfs/dbraw/zinc/46/11/00/289461100.db2.gz PHOTYJMEWRNFPA-NUJGCVRESA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H](CCO)C1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCC1 ZINC000344318008 289494986 /nfs/dbraw/zinc/49/49/86/289494986.db2.gz GDRAWLPQWQRMSW-OAHLLOKOSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000423051742 289728017 /nfs/dbraw/zinc/72/80/17/289728017.db2.gz OYVNQLRRWDWANZ-SPUZQDLCSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000422728884 293261647 /nfs/dbraw/zinc/26/16/47/293261647.db2.gz JTWBPQOBWXEBBE-FFSVYQOJSA-N 1 3 261.413 3.078 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000422790645 303400653 /nfs/dbraw/zinc/40/06/53/303400653.db2.gz PPLMTKKXLWKUQS-CWVYHPPDSA-N 1 3 250.430 3.062 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423130376 303420929 /nfs/dbraw/zinc/42/09/29/303420929.db2.gz RZNFTPJILZTMJR-SYQHCUMBSA-N 1 3 292.389 3.462 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccc(-c2ccncc2)c1 ZINC000564827796 322045315 /nfs/dbraw/zinc/04/53/15/322045315.db2.gz HCZMRKAAJJDTSW-CQSZACIVSA-N 1 3 281.403 3.281 20 0 CGADHO CCc1cccc(F)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000564973765 322052231 /nfs/dbraw/zinc/05/22/31/322052231.db2.gz RQVFUTSGRMJYHR-MRXNPFEDSA-N 1 3 290.426 3.210 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000565226877 322068348 /nfs/dbraw/zinc/06/83/48/322068348.db2.gz OTOCKRGWWHEVTI-CABCVRRESA-N 1 3 296.842 3.277 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226877 322068350 /nfs/dbraw/zinc/06/83/50/322068350.db2.gz OTOCKRGWWHEVTI-CABCVRRESA-N 1 3 296.842 3.277 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491342 322079973 /nfs/dbraw/zinc/07/99/73/322079973.db2.gz PABTXYUCFDFASV-FQUUOJAGSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491342 322079976 /nfs/dbraw/zinc/07/99/76/322079976.db2.gz PABTXYUCFDFASV-FQUUOJAGSA-N 1 3 278.827 3.446 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C[C@H](C)O1 ZINC000566355614 322117342 /nfs/dbraw/zinc/11/73/42/322117342.db2.gz HPDCRJDFKNASRR-YYIAUSFCSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2)c1 ZINC000566481118 322125681 /nfs/dbraw/zinc/12/56/81/322125681.db2.gz ADVHLSOZJLNHRL-UAGQMJEPSA-N 1 3 287.451 3.207 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000566483484 322125908 /nfs/dbraw/zinc/12/59/08/322125908.db2.gz URYFMMURBRMBIV-BMFZPTHFSA-N 1 3 276.424 3.048 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2ccncc2Cl)CC1 ZINC000566790982 322137954 /nfs/dbraw/zinc/13/79/54/322137954.db2.gz ZWTPVKRFQMDEBC-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@]1(F)CCCN(CCCC[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000567123984 322151745 /nfs/dbraw/zinc/15/17/45/322151745.db2.gz XDCAKPFKNCANJJ-HZPDHXFCSA-N 1 3 288.426 3.415 20 0 CGADHO C[C@@]1(F)CCCN(CCCC[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000567123984 322151747 /nfs/dbraw/zinc/15/17/47/322151747.db2.gz XDCAKPFKNCANJJ-HZPDHXFCSA-N 1 3 288.426 3.415 20 0 CGADHO Cc1ccc2nccc(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000567316630 322158669 /nfs/dbraw/zinc/15/86/69/322158669.db2.gz OIWVMQIUJDEALK-HNNXBMFYSA-N 1 3 283.419 3.107 20 0 CGADHO Cc1ccc2nccc(NC[C@@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000567316630 322158671 /nfs/dbraw/zinc/15/86/71/322158671.db2.gz OIWVMQIUJDEALK-HNNXBMFYSA-N 1 3 283.419 3.107 20 0 CGADHO NC[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCC1 ZINC000567356119 322160144 /nfs/dbraw/zinc/16/01/44/322160144.db2.gz SLMPPAZAJPRXHO-CQSZACIVSA-N 1 3 279.453 3.018 20 0 CGADHO CCNCCC[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000567639430 322171868 /nfs/dbraw/zinc/17/18/68/322171868.db2.gz ORGPCCLWNVGNQP-KRWDZBQOSA-N 1 3 262.441 3.233 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H](NCCC[NH2+]C(C)C)C1 ZINC000568974412 322229582 /nfs/dbraw/zinc/22/95/82/322229582.db2.gz PZTWAGRZKDFSBW-IRXDYDNUSA-N 1 3 289.467 3.394 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCNC(C)C)C1 ZINC000568974412 322229585 /nfs/dbraw/zinc/22/95/85/322229585.db2.gz PZTWAGRZKDFSBW-IRXDYDNUSA-N 1 3 289.467 3.394 20 0 CGADHO CN(C[C@@H]1CCCC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568983343 322230182 /nfs/dbraw/zinc/23/01/82/322230182.db2.gz HGIUCRPCZUDQHL-JZWPEALZSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163017 322266487 /nfs/dbraw/zinc/26/64/87/322266487.db2.gz YGZZCJTYYCYGSS-MNOVXSKESA-N 1 3 284.856 3.148 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(C)c1 ZINC000570529570 322275970 /nfs/dbraw/zinc/27/59/70/322275970.db2.gz QSRRBRAZDOEROA-BZUAXINKSA-N 1 3 276.424 3.012 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000572847616 322357736 /nfs/dbraw/zinc/35/77/36/322357736.db2.gz JFKLVCFOQPFREZ-YOEHRIQHSA-N 1 3 258.409 3.001 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000573249312 322378119 /nfs/dbraw/zinc/37/81/19/322378119.db2.gz DKJPFOFGHXYZAA-OWCLPIDISA-N 1 3 252.446 3.131 20 0 CGADHO COc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])c2ccccc12 ZINC000582241125 328844994 /nfs/dbraw/zinc/84/49/94/328844994.db2.gz CJVSPLOXPUTZHA-STQMWFEESA-N 1 3 272.392 3.064 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000394878251 329163672 /nfs/dbraw/zinc/16/36/72/329163672.db2.gz GPZQBYNVVDPMHL-PMPSAXMXSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(F)c(CCNC2CC[NH+](CC3CC3)CC2)c1 ZINC000582945257 329292389 /nfs/dbraw/zinc/29/23/89/329292389.db2.gz TXRZYCGMWVLDOG-UHFFFAOYSA-N 1 3 290.426 3.141 20 0 CGADHO COc1ccc(CNCc2ccc(C[NH3+])cc2)cc1Cl ZINC000583322048 329451226 /nfs/dbraw/zinc/45/12/26/329451226.db2.gz QTXLQCOBBOMRRZ-UHFFFAOYSA-N 1 3 290.794 3.097 20 0 CGADHO Cc1ccc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000577226177 335326414 /nfs/dbraw/zinc/32/64/14/335326414.db2.gz DGCDWEBJEIZCLN-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO Cc1ccccc1[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000577626484 335381554 /nfs/dbraw/zinc/38/15/54/335381554.db2.gz HLEPVJKYCWZPJL-BFYDXBDKSA-N 1 3 258.409 3.306 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000178677793 335444545 /nfs/dbraw/zinc/44/45/45/335444545.db2.gz NOERYWKJYDRVJD-AWEZNQCLSA-N 1 3 278.440 3.324 20 0 CGADHO CN(CCC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC000581298050 336041043 /nfs/dbraw/zinc/04/10/43/336041043.db2.gz YTRHTTLBNAMXEX-UHFFFAOYSA-N 1 3 254.377 3.134 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000581972962 336181428 /nfs/dbraw/zinc/18/14/28/336181428.db2.gz PYZIPOHIPDWIEN-OIISXLGYSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@]3(C)CCCOC3)CC2)C1 ZINC000357841689 533762032 /nfs/dbraw/zinc/76/20/32/533762032.db2.gz RBPQAHWEUIILOJ-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@]3(C)CCCOC3)CC2)C1 ZINC000357841689 533762037 /nfs/dbraw/zinc/76/20/37/533762037.db2.gz RBPQAHWEUIILOJ-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423300631 533774051 /nfs/dbraw/zinc/77/40/51/533774051.db2.gz DPHCIURAUYITGQ-HZMBPMFUSA-N 1 3 286.341 3.341 20 0 CGADHO C[C@H]([NH2+]CCC1(C)CC1)c1cccc(OCCN(C)C)c1 ZINC000358983687 533841119 /nfs/dbraw/zinc/84/11/19/533841119.db2.gz KPVHLBPVUVJOAU-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc(Cl)cc1CN(C)CCC1CC[NH2+]CC1 ZINC000359219640 533850106 /nfs/dbraw/zinc/85/01/06/533850106.db2.gz VNHYYBRBGZFHFS-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO C[C@H](NCCc1cccc(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000415082644 533873650 /nfs/dbraw/zinc/87/36/50/533873650.db2.gz DMBFJLGBNJBQGD-JXFKEZNVSA-N 1 3 294.442 3.484 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423497929 534232248 /nfs/dbraw/zinc/23/22/48/534232248.db2.gz AMGFGWNROVFZJB-ZOCIIQOWSA-N 1 3 298.405 3.102 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102424095 519863990 /nfs/dbraw/zinc/86/39/90/519863990.db2.gz XJUZWYAZGXWOLQ-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102424095 519863992 /nfs/dbraw/zinc/86/39/92/519863992.db2.gz XJUZWYAZGXWOLQ-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H](C[NH3+])C1CCCC1)CC2 ZINC000423500103 534452651 /nfs/dbraw/zinc/45/26/51/534452651.db2.gz CTCFFJWYJSOSMB-IAGOWNOFSA-N 1 3 258.409 3.089 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNCc2cc[nH]c2)c1 ZINC000086251224 520756321 /nfs/dbraw/zinc/75/63/21/520756321.db2.gz RDTQZABRDKVWBY-UHFFFAOYSA-N 1 3 271.408 3.146 20 0 CGADHO CC(C)(C)C1CC([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459587031 534551085 /nfs/dbraw/zinc/55/10/85/534551085.db2.gz JVJIRBBNFYBIGB-UHFFFAOYSA-N 1 3 287.451 3.465 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415089352 534664904 /nfs/dbraw/zinc/66/49/04/534664904.db2.gz WLDCXBMPKDWUCX-GUDVDZBRSA-N 1 3 286.463 3.356 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157589502 524236603 /nfs/dbraw/zinc/23/66/03/524236603.db2.gz ORCNUOQVAHXNFH-JWHDQAAXSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157589502 524236613 /nfs/dbraw/zinc/23/66/13/524236613.db2.gz ORCNUOQVAHXNFH-JWHDQAAXSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1cc(C)cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000088164140 524383586 /nfs/dbraw/zinc/38/35/86/524383586.db2.gz WZGCVZBCYLPWDS-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cc(C)cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088164140 524383595 /nfs/dbraw/zinc/38/35/95/524383595.db2.gz WZGCVZBCYLPWDS-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157966185 526513014 /nfs/dbraw/zinc/51/30/14/526513014.db2.gz YVMWLOWSJUGABT-RRFJBIMHSA-N 1 3 288.460 3.092 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157966185 526513017 /nfs/dbraw/zinc/51/30/17/526513017.db2.gz YVMWLOWSJUGABT-RRFJBIMHSA-N 1 3 288.460 3.092 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC2CC2)CC1 ZINC000449067243 527646660 /nfs/dbraw/zinc/64/66/60/527646660.db2.gz JRRRCLSNJUHDBM-UHFFFAOYSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C2CC2)CC1 ZINC000449067243 527646666 /nfs/dbraw/zinc/64/66/66/527646666.db2.gz JRRRCLSNJUHDBM-UHFFFAOYSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000423379934 527829865 /nfs/dbraw/zinc/82/98/65/527829865.db2.gz MIPJAZGXHCPTOB-XUWVNRHRSA-N 1 3 252.446 3.321 20 0 CGADHO CC1(c2ccccc2)CC([NH2+]CCCN2CCCC2)C1 ZINC000436469024 528061777 /nfs/dbraw/zinc/06/17/77/528061777.db2.gz PUQQWNLRJJTVRV-UHFFFAOYSA-N 1 3 272.436 3.182 20 0 CGADHO CC1(c2ccccc2)CC(NCCC[NH+]2CCCC2)C1 ZINC000436469024 528061783 /nfs/dbraw/zinc/06/17/83/528061783.db2.gz PUQQWNLRJJTVRV-UHFFFAOYSA-N 1 3 272.436 3.182 20 0 CGADHO CC(C)COc1ccccc1CNCC1=CC[N@H+](C)CC1 ZINC000449250895 528183181 /nfs/dbraw/zinc/18/31/81/528183181.db2.gz MWTABDIHQNTDFF-UHFFFAOYSA-N 1 3 288.435 3.073 20 0 CGADHO CC(C)COc1ccccc1CNCC1=CC[N@@H+](C)CC1 ZINC000449250895 528183190 /nfs/dbraw/zinc/18/31/90/528183190.db2.gz MWTABDIHQNTDFF-UHFFFAOYSA-N 1 3 288.435 3.073 20 0 CGADHO CC1CCC([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000357836991 528200390 /nfs/dbraw/zinc/20/03/90/528200390.db2.gz SVKGGPQMSGCHGQ-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@H]([NH2+]CC1(N)CCC1)c1ccc(OC)cc1 ZINC000423327369 528217320 /nfs/dbraw/zinc/21/73/20/528217320.db2.gz MZNHZWZVVDUNHF-HNNXBMFYSA-N 1 3 262.397 3.007 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccsc1 ZINC000424370158 528235463 /nfs/dbraw/zinc/23/54/63/528235463.db2.gz DDISZCKURCOJST-HZSPNIEDSA-N 1 3 252.427 3.449 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000414079182 528254878 /nfs/dbraw/zinc/25/48/78/528254878.db2.gz SOGXLDCJZPYMQO-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423258832 528310127 /nfs/dbraw/zinc/31/01/27/528310127.db2.gz CPAHVLJSHKJCJJ-JSGCOSHPSA-N 1 3 260.381 3.457 20 0 CGADHO CCNCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000423246236 528333409 /nfs/dbraw/zinc/33/34/09/528333409.db2.gz NBZQASHODRSTJB-CQSZACIVSA-N 1 3 252.427 3.179 20 0 CGADHO CC(C)[C@@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449180246 528482250 /nfs/dbraw/zinc/48/22/50/528482250.db2.gz ZBXVVNDTDXTJRP-MRXNPFEDSA-N 1 3 298.515 3.272 20 0 CGADHO CC(C)[C@@H](CO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449180246 528482252 /nfs/dbraw/zinc/48/22/52/528482252.db2.gz ZBXVVNDTDXTJRP-MRXNPFEDSA-N 1 3 298.515 3.272 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423408428 528726262 /nfs/dbraw/zinc/72/62/62/528726262.db2.gz XMCOECSLLXZJMQ-ZQIUZPCESA-N 1 3 276.424 3.124 20 0 CGADHO CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367620941 528732584 /nfs/dbraw/zinc/73/25/84/528732584.db2.gz ZBKMPYCNSBMCRG-GVDBMIGSSA-N 1 3 288.435 3.048 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000367999224 528895863 /nfs/dbraw/zinc/89/58/63/528895863.db2.gz UAXLLOQIXLHCER-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436274620 529001652 /nfs/dbraw/zinc/00/16/52/529001652.db2.gz ZBPAMUMXNSTCEY-UHFFFAOYSA-N 1 3 289.398 3.269 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423275104 529069047 /nfs/dbraw/zinc/06/90/47/529069047.db2.gz MVEIBFXLRFICNW-NNYUYHANSA-N 1 3 286.872 3.466 20 0 CGADHO CC[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420421908 529168248 /nfs/dbraw/zinc/16/82/48/529168248.db2.gz YYTYRJDDBZHBPE-MLGOLLRUSA-N 1 3 282.378 3.395 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN(CC)CC)[C@H]1CCOC1 ZINC000484308167 535932190 /nfs/dbraw/zinc/93/21/90/535932190.db2.gz MCGRDMXZOFOEOP-XLAORIBOSA-N 1 3 296.499 3.292 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000166132252 572459714 /nfs/dbraw/zinc/45/97/14/572459714.db2.gz PVXCCYWYKCCJLP-DNVCBOLYSA-N 1 3 284.447 3.446 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132252 572459718 /nfs/dbraw/zinc/45/97/18/572459718.db2.gz PVXCCYWYKCCJLP-DNVCBOLYSA-N 1 3 284.447 3.446 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250687010 572530079 /nfs/dbraw/zinc/53/00/79/572530079.db2.gz GIKZXOMBMQNCIX-KGLIPLIRSA-N 1 3 278.465 3.242 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250687010 572530082 /nfs/dbraw/zinc/53/00/82/572530082.db2.gz GIKZXOMBMQNCIX-KGLIPLIRSA-N 1 3 278.465 3.242 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250702196 572530140 /nfs/dbraw/zinc/53/01/40/572530140.db2.gz UZPQDRDHEVLTOQ-IRXDYDNUSA-N 1 3 272.436 3.181 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250702196 572530143 /nfs/dbraw/zinc/53/01/43/572530143.db2.gz UZPQDRDHEVLTOQ-IRXDYDNUSA-N 1 3 272.436 3.181 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000160958751 618201968 /nfs/dbraw/zinc/20/19/68/618201968.db2.gz QRRQBXBMQAHIME-QGZVFWFLSA-N 1 3 286.463 3.426 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CC2(CCCOC)CCC2)C1 ZINC000892132971 618551028 /nfs/dbraw/zinc/55/10/28/618551028.db2.gz DOKONORKLBYQKN-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CC2(CCCOC)CCC2)C1 ZINC000892132971 618551034 /nfs/dbraw/zinc/55/10/34/618551034.db2.gz DOKONORKLBYQKN-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC000892132971 618551038 /nfs/dbraw/zinc/55/10/38/618551038.db2.gz DOKONORKLBYQKN-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892132971 618551042 /nfs/dbraw/zinc/55/10/42/618551042.db2.gz DOKONORKLBYQKN-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CC[C@@H](C)[C@H](CNC1CC[NH+](CCC(C)C)CC1)OC ZINC000926502154 618713670 /nfs/dbraw/zinc/71/36/70/618713670.db2.gz CXXDGOSKFCEMHN-WBVHZDCISA-N 1 3 284.488 3.148 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000925509631 619004253 /nfs/dbraw/zinc/00/42/53/619004253.db2.gz NHOCYHCODSMRGH-ZIAGYGMSSA-N 1 3 298.352 3.107 20 0 CGADHO c1csc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925509640 619004378 /nfs/dbraw/zinc/00/43/78/619004378.db2.gz NJDCALQYBSJAGP-HZPDHXFCSA-N 1 3 278.465 3.049 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@H]1NCCc1c[nH]c2cc(Cl)ccc12 ZINC000925520259 619013472 /nfs/dbraw/zinc/01/34/72/619013472.db2.gz LQOMSVTZYAOICW-XHDPSFHLSA-N 1 3 291.826 3.094 20 0 CGADHO CCOCc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925538649 619036577 /nfs/dbraw/zinc/03/65/77/619036577.db2.gz VRUDMINKHSCQJG-IRXDYDNUSA-N 1 3 290.451 3.219 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2csc3ccccc23)C12CCC2 ZINC000925599577 619080835 /nfs/dbraw/zinc/08/08/35/619080835.db2.gz BXOWSXBYZOIHNZ-CVEARBPZSA-N 1 3 286.444 3.303 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[C@H](N)C23CCC3)cc1 ZINC000925642971 619102712 /nfs/dbraw/zinc/10/27/12/619102712.db2.gz USJLOJULZJOVHL-BPUTZDHNSA-N 1 3 290.476 3.335 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1cc(Br)cs1 ZINC000925736492 619210371 /nfs/dbraw/zinc/21/03/71/619210371.db2.gz AKIFIIGYKXBIDV-QMMMGPOBSA-N 1 3 291.258 3.289 20 0 CGADHO Fc1cc(CN2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC000262019314 619526396 /nfs/dbraw/zinc/52/63/96/619526396.db2.gz NBTFIWBSJUFAIQ-UHFFFAOYSA-N 1 3 282.790 3.055 20 0 CGADHO CN1CCC[C@@]2(CC[N@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860007 619656739 /nfs/dbraw/zinc/65/67/39/619656739.db2.gz SIXQJNBGXDPUKO-HNSSHINMSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@@]2(CC[N@@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860007 619656742 /nfs/dbraw/zinc/65/67/42/619656742.db2.gz SIXQJNBGXDPUKO-HNSSHINMSA-N 1 3 288.410 3.257 20 0 CGADHO C[C@@H](CC[NH2+]Cc1ccc(CC(F)(F)F)cc1)N(C)C ZINC000895290410 619797149 /nfs/dbraw/zinc/79/71/49/619797149.db2.gz HIRHHQOOSCQRTC-LBPRGKRZSA-N 1 3 288.357 3.221 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000895587503 619855296 /nfs/dbraw/zinc/85/52/96/619855296.db2.gz XBAJKSYXQUWKQD-DOTOQJQBSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H](C)c2ccncc2)CC1 ZINC000925220993 620238934 /nfs/dbraw/zinc/23/89/34/620238934.db2.gz HOOKDFSRIJPPNF-MRXNPFEDSA-N 1 3 289.467 3.285 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897532940 620378307 /nfs/dbraw/zinc/37/83/07/620378307.db2.gz HJFAJYDTTQPSID-WMZOPIPTSA-N 1 3 296.499 3.028 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000897982714 620461962 /nfs/dbraw/zinc/46/19/62/620461962.db2.gz PMNDVSZCCXVBJM-KFWWJZLASA-N 1 3 262.441 3.029 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1C ZINC000902405872 621292136 /nfs/dbraw/zinc/29/21/36/621292136.db2.gz PWSUKRDGWFKTNJ-GOEBONIOSA-N 1 3 290.451 3.432 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)CC1)C1CNC1 ZINC000902451158 621329862 /nfs/dbraw/zinc/32/98/62/621329862.db2.gz FUJXWZMOYBHWNT-QILLFSRXSA-N 1 3 272.436 3.300 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCNC3)CC2)cc1 ZINC000902455766 621333852 /nfs/dbraw/zinc/33/38/52/621333852.db2.gz YYBATSJQGQYMRT-ZACQAIPSSA-N 1 3 258.409 3.054 20 0 CGADHO Clc1ccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC000902461539 621335622 /nfs/dbraw/zinc/33/56/22/621335622.db2.gz OLPAMWXNJPSYCF-ZZTPXLKCSA-N 1 3 290.838 3.459 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)O1 ZINC000902462027 621336780 /nfs/dbraw/zinc/33/67/80/621336780.db2.gz SGNXFAASEHANNC-IXDOHACOSA-N 1 3 294.483 3.092 20 0 CGADHO CC1(C)CCC[C@H](CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)O1 ZINC000902462027 621336785 /nfs/dbraw/zinc/33/67/85/621336785.db2.gz SGNXFAASEHANNC-IXDOHACOSA-N 1 3 294.483 3.092 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCOCC1 ZINC000903069818 621567865 /nfs/dbraw/zinc/56/78/65/621567865.db2.gz JWSUFIYQVDIABX-SJLPKXTDSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CCOC12CCCC2)C(C)C ZINC000903106520 621580758 /nfs/dbraw/zinc/58/07/58/621580758.db2.gz YTJVTAWGTUBLGI-MRXNPFEDSA-N 1 3 282.472 3.187 20 0 CGADHO c1ccc(C[C@@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903122374 621589553 /nfs/dbraw/zinc/58/95/53/621589553.db2.gz YSJDGDMKPFJCKO-NSEAXLEKSA-N 1 3 296.458 3.365 20 0 CGADHO c1ccc(C[C@@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122374 621589559 /nfs/dbraw/zinc/58/95/59/621589559.db2.gz YSJDGDMKPFJCKO-NSEAXLEKSA-N 1 3 296.458 3.365 20 0 CGADHO Cc1ccccc1-c1cnc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903500339 621766999 /nfs/dbraw/zinc/76/69/99/621766999.db2.gz XLODFFGWSILQJA-HUUCEWRRSA-N 1 3 299.418 3.067 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](N)CC(F)F)c1C ZINC000903895389 621828604 /nfs/dbraw/zinc/82/86/04/621828604.db2.gz NBURHBLZJZDZPH-DZGCQCFKSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](N)CC(F)F)c1C ZINC000903895389 621828605 /nfs/dbraw/zinc/82/86/05/621828605.db2.gz NBURHBLZJZDZPH-DZGCQCFKSA-N 1 3 282.378 3.423 20 0 CGADHO c1cc2cnccc2c(CN2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903960228 621837963 /nfs/dbraw/zinc/83/79/63/621837963.db2.gz ZSFFKXFMLLLKLC-IBGZPJMESA-N 1 3 295.430 3.200 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903954068 621842465 /nfs/dbraw/zinc/84/24/65/621842465.db2.gz PIFUEZQPBPVXPJ-OAHLLOKOSA-N 1 3 296.405 3.319 20 0 CGADHO COc1ccc([C@H]2CCCN2C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904301242 621902257 /nfs/dbraw/zinc/90/22/57/621902257.db2.gz JFFNYWOSEATOJW-QZTJIDSGSA-N 1 3 288.435 3.222 20 0 CGADHO C[C@@H]1OC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@@H]1C ZINC000924857031 622769134 /nfs/dbraw/zinc/76/91/34/622769134.db2.gz PWIQXKSFKYDNQK-RVKKMQEKSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1OC[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@@H]1C ZINC000924857031 622769139 /nfs/dbraw/zinc/76/91/39/622769139.db2.gz PWIQXKSFKYDNQK-RVKKMQEKSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)CN1CCCC1 ZINC000062078436 623198382 /nfs/dbraw/zinc/19/83/82/623198382.db2.gz QTGXLXMDLPKKSV-NXVRBGIVSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000921496371 624597503 /nfs/dbraw/zinc/59/75/03/624597503.db2.gz SWGVPNUGDRBHMI-BRSBDYLESA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc(Oc2ccccn2)c1)CN(C)C ZINC000922140502 625972095 /nfs/dbraw/zinc/97/20/95/625972095.db2.gz QKTBBNLSLTYATC-OAHLLOKOSA-N 1 3 299.418 3.161 20 0 CGADHO Cc1cc([C@@H]2CCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923306852 626144140 /nfs/dbraw/zinc/14/41/40/626144140.db2.gz NPVSWEAGVLCQPS-BTFYYFJDSA-N 1 3 289.423 3.041 20 0 CGADHO C[C@@H]([NH2+]CCCCCCCO)[C@@H]1CCCN(C2CCC2)C1 ZINC000754463356 626573010 /nfs/dbraw/zinc/57/30/10/626573010.db2.gz AEPITNCKFHGPAV-IAGOWNOFSA-N 1 3 296.499 3.172 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2cnc3ccccc3c2)CCCC1 ZINC000759184336 626879034 /nfs/dbraw/zinc/87/90/34/626879034.db2.gz ARMKEJYRNLOFOV-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO CC[C@@H](CN[C@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871626 627231008 /nfs/dbraw/zinc/23/10/08/627231008.db2.gz XZBIJPXXTANXMK-WMZOPIPTSA-N 1 3 272.436 3.446 20 0 CGADHO C[C@@H](C1CC1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000782180996 628620473 /nfs/dbraw/zinc/62/04/73/628620473.db2.gz NSWPFBZXQZHXLZ-OWCLPIDISA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H](C1CC1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000782180996 628620477 /nfs/dbraw/zinc/62/04/77/628620477.db2.gz NSWPFBZXQZHXLZ-OWCLPIDISA-N 1 3 264.457 3.371 20 0 CGADHO COc1ccc2c(c1)nccc2NCC1([NH+](C)C)CCC1 ZINC000782390425 628643727 /nfs/dbraw/zinc/64/37/27/628643727.db2.gz BFIIPIKTLPKHBI-UHFFFAOYSA-N 1 3 285.391 3.140 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000783291341 628699347 /nfs/dbraw/zinc/69/93/47/628699347.db2.gz OZLHJWWZLQHVGQ-HOSILWTGSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCC=CO3)CC2)C1 ZINC000783307470 628701975 /nfs/dbraw/zinc/70/19/75/628701975.db2.gz IZISCNIZNQVJNY-NXHRZFHOSA-N 1 3 292.467 3.312 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000785483099 628866113 /nfs/dbraw/zinc/86/61/13/628866113.db2.gz SZPWKFUCWLXFOT-QZTJIDSGSA-N 1 3 283.419 3.197 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790055708 629180879 /nfs/dbraw/zinc/18/08/79/629180879.db2.gz QQJULKPSJJLBKL-DOTOQJQBSA-N 1 3 272.436 3.038 20 0 CGADHO CC[C@H](C)[N@H+](C)CCNc1ccnc2cc(OC)ccc21 ZINC000811803823 631120463 /nfs/dbraw/zinc/12/04/63/631120463.db2.gz SUPOHJZWDQZOBS-ZDUSSCGKSA-N 1 3 287.407 3.386 20 0 CGADHO CC[C@H](C)[N@@H+](C)CCNc1ccnc2cc(OC)ccc21 ZINC000811803823 631120464 /nfs/dbraw/zinc/12/04/64/631120464.db2.gz SUPOHJZWDQZOBS-ZDUSSCGKSA-N 1 3 287.407 3.386 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2C)C1 ZINC000815560281 631795778 /nfs/dbraw/zinc/79/57/78/631795778.db2.gz CNCIEFSHILVUMD-ZIAGYGMSSA-N 1 3 264.388 3.127 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817923931 632235382 /nfs/dbraw/zinc/23/53/82/632235382.db2.gz DHLRQEMDTLOJFA-QMTMVMCOSA-N 1 3 298.430 3.102 20 0 CGADHO CCOc1ccccc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817946761 632243324 /nfs/dbraw/zinc/24/33/24/632243324.db2.gz DOXCFXOPIBBBPY-HNNXBMFYSA-N 1 3 298.430 3.437 20 0 CGADHO Cc1cc([C@H](C)NCc2ccc(CC[NH3+])cc2)cs1 ZINC000817949225 632245629 /nfs/dbraw/zinc/24/56/29/632245629.db2.gz PPBWMGUGMSNATK-ZDUSSCGKSA-N 1 3 274.433 3.409 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000817959672 632254426 /nfs/dbraw/zinc/25/44/26/632254426.db2.gz FYVSWSFEYQLAAI-AWEZNQCLSA-N 1 3 278.440 3.480 20 0 CGADHO CC[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982516 632272831 /nfs/dbraw/zinc/27/28/31/632272831.db2.gz UQAMZNCKLGHQBF-DLBZAZTESA-N 1 3 288.435 3.180 20 0 CGADHO Cc1ccc(-c2cnc(CN(C)C3CCC([NH3+])CC3)o2)cc1 ZINC000844221407 635833627 /nfs/dbraw/zinc/83/36/27/635833627.db2.gz YVSLDCPDDKIGKI-UHFFFAOYSA-N 1 3 299.418 3.352 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865829603 632904186 /nfs/dbraw/zinc/90/41/86/632904186.db2.gz CWHZHMSTOWYKLX-XJFOESAGSA-N 1 3 288.357 3.100 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865829603 632904188 /nfs/dbraw/zinc/90/41/88/632904188.db2.gz CWHZHMSTOWYKLX-XJFOESAGSA-N 1 3 288.357 3.100 20 0 CGADHO C[C@H](CCc1cccnc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000866347103 633092187 /nfs/dbraw/zinc/09/21/87/633092187.db2.gz PWSVZUXSVUCFAE-MRXNPFEDSA-N 1 3 289.467 3.114 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@]1(C)CC1(Cl)Cl)C2 ZINC000829720146 633769887 /nfs/dbraw/zinc/76/98/87/633769887.db2.gz OXJXVNLHABHBQY-HNGCFSAESA-N 1 3 291.266 3.127 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@]1(C)CC1(Cl)Cl)C2 ZINC000829720146 633769893 /nfs/dbraw/zinc/76/98/93/633769893.db2.gz OXJXVNLHABHBQY-HNGCFSAESA-N 1 3 291.266 3.127 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)CN1CCCCC1 ZINC000872025808 633945645 /nfs/dbraw/zinc/94/56/45/633945645.db2.gz UBKWJBVRCTTWQL-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)CN1CCCCC1 ZINC000872025805 633945864 /nfs/dbraw/zinc/94/58/64/633945864.db2.gz UBKWJBVRCTTWQL-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)CN1CCCCC1 ZINC000872025806 633946139 /nfs/dbraw/zinc/94/61/39/633946139.db2.gz UBKWJBVRCTTWQL-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872034417 633953457 /nfs/dbraw/zinc/95/34/57/633953457.db2.gz NRYATKAMHXAJOC-ZACQAIPSSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156691 634067388 /nfs/dbraw/zinc/06/73/88/634067388.db2.gz LEUNYLMMMZFCHO-YOEHRIQHSA-N 1 3 291.439 3.103 20 0 CGADHO C[C@@H](C1CC1)[N@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873203182 634285197 /nfs/dbraw/zinc/28/51/97/634285197.db2.gz SBJAXTCPXVAIJV-NSHDSACASA-N 1 3 276.449 3.157 20 0 CGADHO C[C@@H](C1CC1)[N@@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873203182 634285207 /nfs/dbraw/zinc/28/52/07/634285207.db2.gz SBJAXTCPXVAIJV-NSHDSACASA-N 1 3 276.449 3.157 20 0 CGADHO [NH3+][C@@H](C[C@@H]1CCCN(Cc2cncs2)C1)C1CCCC1 ZINC000873232457 634294585 /nfs/dbraw/zinc/29/45/85/634294585.db2.gz QEEREOZHSBTEFI-BBRMVZONSA-N 1 3 293.480 3.263 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252954 634302194 /nfs/dbraw/zinc/30/21/94/634302194.db2.gz SXUJFRUBPFITBG-RQJABVFESA-N 1 3 290.373 3.238 20 0 CGADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000873258788 634306617 /nfs/dbraw/zinc/30/66/17/634306617.db2.gz UVJSABHTSRAIDG-BWZBUEFSSA-N 1 3 279.236 3.443 20 0 CGADHO c1cnc2cccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000873285209 634317433 /nfs/dbraw/zinc/31/74/33/634317433.db2.gz ZRTHOXNOLYUGRV-QXAKKESOSA-N 1 3 295.430 3.245 20 0 CGADHO c1ccc2c(c1)cncc2CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841087477 635119997 /nfs/dbraw/zinc/11/99/97/635119997.db2.gz OFOZKAGJPBCRTR-VQIMIIECSA-N 1 3 295.430 3.199 20 0 CGADHO CCC1([NH+]2CCCCC2)CCN(C[C@H]2CCO[C@@H]2C)CC1 ZINC000880254673 635957401 /nfs/dbraw/zinc/95/74/01/635957401.db2.gz KVNNAZCRNGFXKV-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO CN(CCCC[NH+]1CCCCC1)Cc1ccsc1 ZINC000880517361 636013712 /nfs/dbraw/zinc/01/37/12/636013712.db2.gz OJJSPPKMWQAVIV-UHFFFAOYSA-N 1 3 266.454 3.446 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883441165 636758835 /nfs/dbraw/zinc/75/88/35/636758835.db2.gz IMLSLJHHYKAGRZ-TWMKSMIVSA-N 1 3 288.435 3.012 20 0 CGADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883441165 636758838 /nfs/dbraw/zinc/75/88/38/636758838.db2.gz IMLSLJHHYKAGRZ-TWMKSMIVSA-N 1 3 288.435 3.012 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850174792 636974016 /nfs/dbraw/zinc/97/40/16/636974016.db2.gz USLPTCUCCFVLDA-ZIAGYGMSSA-N 1 3 289.448 3.259 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437368 637062831 /nfs/dbraw/zinc/06/28/31/637062831.db2.gz LVDFAFOHRQUOOW-KEYYUXOJSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437368 637062832 /nfs/dbraw/zinc/06/28/32/637062832.db2.gz LVDFAFOHRQUOOW-KEYYUXOJSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2c(c1)CCCO2 ZINC000850541116 637114540 /nfs/dbraw/zinc/11/45/40/637114540.db2.gz RVXCHMFFHUUKCB-WMLDXEAASA-N 1 3 288.435 3.147 20 0 CGADHO CC[C@H]1COC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850540492 637114914 /nfs/dbraw/zinc/11/49/14/637114914.db2.gz NQPNPVUPTYAKQC-FUHWJXTLSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H]1COC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850540492 637114916 /nfs/dbraw/zinc/11/49/16/637114916.db2.gz NQPNPVUPTYAKQC-FUHWJXTLSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885923147 637312870 /nfs/dbraw/zinc/31/28/70/637312870.db2.gz RHYZEVFNNTYSNM-AWEZNQCLSA-N 1 3 295.858 3.337 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885923147 637312873 /nfs/dbraw/zinc/31/28/73/637312873.db2.gz RHYZEVFNNTYSNM-AWEZNQCLSA-N 1 3 295.858 3.337 20 0 CGADHO CCc1ncc(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000886620146 637613561 /nfs/dbraw/zinc/61/35/61/637613561.db2.gz CNIYZFDTTTVMSM-UHFFFAOYSA-N 1 3 291.439 3.124 20 0 CGADHO Fc1cccc2c1CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000886793808 637692426 /nfs/dbraw/zinc/69/24/26/637692426.db2.gz UMFZGLFUOFRWEU-GOSISDBHSA-N 1 3 288.410 3.277 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000924526986 638350029 /nfs/dbraw/zinc/35/00/29/638350029.db2.gz JFMXZNQXXBKEJQ-DZGCQCFKSA-N 1 3 293.455 3.461 20 0 CGADHO Cc1cccc2c1[C@H](NC1CC[NH+](C(C)C)CC1)CC2 ZINC000925303599 638493936 /nfs/dbraw/zinc/49/39/36/638493936.db2.gz OLULGABLWLDSFI-QGZVFWFLSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(C)c1 ZINC000925575022 638534934 /nfs/dbraw/zinc/53/49/34/638534934.db2.gz FGNMXSGHFWXXPJ-OIISXLGYSA-N 1 3 288.435 3.012 20 0 CGADHO C1=CC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925618730 638545835 /nfs/dbraw/zinc/54/58/35/638545835.db2.gz XTUHWFGMAPLQED-USXIJHARSA-N 1 3 262.441 3.101 20 0 CGADHO CC(C)OC1CCC(N[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925622241 638547788 /nfs/dbraw/zinc/54/77/88/638547788.db2.gz MNRHPVDULVCNKN-IWCVFHTOSA-N 1 3 290.451 3.401 20 0 CGADHO Cc1nc2c(s1)[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925633517 638550623 /nfs/dbraw/zinc/55/06/23/638550623.db2.gz YFIHDCVYUCJNGG-MBNYWOFBSA-N 1 3 293.480 3.325 20 0 CGADHO CSCCCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925646100 638556659 /nfs/dbraw/zinc/55/66/59/638556659.db2.gz UILWHXLTVAPAQE-JKSUJKDBSA-N 1 3 284.513 3.278 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000925661438 638560726 /nfs/dbraw/zinc/56/07/26/638560726.db2.gz UGRAPBMUKKYYLV-NJAFHUGGSA-N 1 3 297.446 3.077 20 0 CGADHO CC1(C)[C@@H](NCCc2cccc3[nH]ccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661438 638560734 /nfs/dbraw/zinc/56/07/34/638560734.db2.gz UGRAPBMUKKYYLV-NJAFHUGGSA-N 1 3 297.446 3.077 20 0 CGADHO CCC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000925735285 638590324 /nfs/dbraw/zinc/59/03/24/638590324.db2.gz YJYWEQGBJOLWAG-OLZOCXBDSA-N 1 3 263.429 3.326 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000925770305 638603683 /nfs/dbraw/zinc/60/36/83/638603683.db2.gz JGWRLXJBGMOTTK-UHOFOFEASA-N 1 3 264.388 3.119 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925772885 638607157 /nfs/dbraw/zinc/60/71/57/638607157.db2.gz LDCYRPYIYCKIEL-NPFDDYGESA-N 1 3 276.468 3.036 20 0 CGADHO C[C@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925840721 638629581 /nfs/dbraw/zinc/62/95/81/638629581.db2.gz WLQWYUSPHZSMAE-LCGIIJARSA-N 1 3 294.389 3.013 20 0 CGADHO CO[C@H](CNC1CC[NH+](CCC(C)C)CC1)CC(C)C ZINC000926597682 638790067 /nfs/dbraw/zinc/79/00/67/638790067.db2.gz BKLAPWPEIZGNJW-KRWDZBQOSA-N 1 3 284.488 3.148 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H](C)CC(F)F)CC1 ZINC000926627638 638791783 /nfs/dbraw/zinc/79/17/83/638791783.db2.gz OFKSNJTYAYVXPW-ZDUSSCGKSA-N 1 3 276.415 3.378 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C1Cc2ccccc2C1 ZINC000035657884 639023661 /nfs/dbraw/zinc/02/36/61/639023661.db2.gz QMZOYHINFVFZRF-OAHLLOKOSA-N 1 3 272.436 3.008 20 0 CGADHO Cc1cccc(CCC[NH+]2CCC(C)(N(C)C)CC2)c1 ZINC000931353198 639139769 /nfs/dbraw/zinc/13/97/69/639139769.db2.gz BKYYAOVNJKLUKY-UHFFFAOYSA-N 1 3 274.452 3.344 20 0 CGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCCO)C1 ZINC000246771825 640692876 /nfs/dbraw/zinc/69/28/76/640692876.db2.gz YWBBWQSXGMDZLV-ROUUACIJSA-N 1 3 296.499 3.126 20 0 CGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCCO)C1 ZINC000246771825 640692894 /nfs/dbraw/zinc/69/28/94/640692894.db2.gz YWBBWQSXGMDZLV-ROUUACIJSA-N 1 3 296.499 3.126 20 0 CGADHO CN(C)c1cccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158265402 805932062 /nfs/dbraw/zinc/93/20/62/805932062.db2.gz GYIHNCOJLPIFOQ-CXAGYDPISA-N 1 3 290.455 3.103 20 0 CGADHO CN1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001254500544 806420963 /nfs/dbraw/zinc/42/09/63/806420963.db2.gz JUMFZOXKXMHGHH-INIZCTEOSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@@H+]1CCC[C@H](NCc2ccccc2C2CC2)CC1 ZINC001254500544 806420965 /nfs/dbraw/zinc/42/09/65/806420965.db2.gz JUMFZOXKXMHGHH-INIZCTEOSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@H+]1CCC[C@H](NCc2ccccc2C2CC2)CC1 ZINC001254500544 806420969 /nfs/dbraw/zinc/42/09/69/806420969.db2.gz JUMFZOXKXMHGHH-INIZCTEOSA-N 1 3 258.409 3.138 20 0 CGADHO COc1ccc(C(C)(C)N[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254504266 806423275 /nfs/dbraw/zinc/42/32/75/806423275.db2.gz SUVNRPYWAHFKTA-HNNXBMFYSA-N 1 3 276.424 3.004 20 0 CGADHO COc1ccc(C(C)(C)N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254504266 806423279 /nfs/dbraw/zinc/42/32/79/806423279.db2.gz SUVNRPYWAHFKTA-HNNXBMFYSA-N 1 3 276.424 3.004 20 0 CGADHO CN1CCC[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254526943 806441854 /nfs/dbraw/zinc/44/18/54/806441854.db2.gz URQYEYRHOGNRLY-PMPSAXMXSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254526943 806441860 /nfs/dbraw/zinc/44/18/60/806441860.db2.gz URQYEYRHOGNRLY-PMPSAXMXSA-N 1 3 250.430 3.125 20 0 CGADHO CCN(Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527418 806443420 /nfs/dbraw/zinc/44/34/20/806443420.db2.gz XZNMKJZVEWUOQX-MRXNPFEDSA-N 1 3 264.388 3.132 20 0 CGADHO CCN(Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527418 806443426 /nfs/dbraw/zinc/44/34/26/806443426.db2.gz XZNMKJZVEWUOQX-MRXNPFEDSA-N 1 3 264.388 3.132 20 0 CGADHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccc(C2CC2)cc1 ZINC000094522178 798969076 /nfs/dbraw/zinc/96/90/76/798969076.db2.gz BPPDTQUSRFVMSC-DZGCQCFKSA-N 1 3 258.409 3.123 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC000094901357 798972287 /nfs/dbraw/zinc/97/22/87/798972287.db2.gz KRDOVFGVNOUFMQ-QAPCUYQASA-N 1 3 274.452 3.444 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000378681019 799342826 /nfs/dbraw/zinc/34/28/26/799342826.db2.gz WFEZQDLJXYQZPD-ZDUSSCGKSA-N 1 3 272.314 3.019 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000388020284 799449317 /nfs/dbraw/zinc/44/93/17/799449317.db2.gz UGWDCJSDVDRQDY-ZDUSSCGKSA-N 1 3 264.413 3.252 20 0 CGADHO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968035 799742565 /nfs/dbraw/zinc/74/25/65/799742565.db2.gz GJJGVRBNFVCMMC-YPMHNXCESA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968035 799742573 /nfs/dbraw/zinc/74/25/73/799742573.db2.gz GJJGVRBNFVCMMC-YPMHNXCESA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCCN(Cc2cccc(Cl)n2)[C@@H]1CCC[NH3+] ZINC000693459687 799810404 /nfs/dbraw/zinc/81/04/04/799810404.db2.gz RBSSLRJNUVTTMI-TZMCWYRMSA-N 1 3 281.831 3.074 20 0 CGADHO C[C@H](CC[NH2+]C1CC(c2ccccc2F)C1)N(C)C ZINC000697907679 799850304 /nfs/dbraw/zinc/85/03/04/799850304.db2.gz FHXSXKZECYIKOJ-IYXRBSQSSA-N 1 3 264.388 3.002 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700817571 799879868 /nfs/dbraw/zinc/87/98/68/799879868.db2.gz VQXWWLJRLUUMJN-HOCLYGCPSA-N 1 3 278.415 3.078 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000700823801 799882290 /nfs/dbraw/zinc/88/22/90/799882290.db2.gz SIUOYUJEENAMEZ-HZSPNIEDSA-N 1 3 292.389 3.429 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCOc1ccc(F)cc1 ZINC001255942385 806791691 /nfs/dbraw/zinc/79/16/91/806791691.db2.gz FNYWWHURQNXFNA-HNNXBMFYSA-N 1 3 296.430 3.305 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC001255949844 806794257 /nfs/dbraw/zinc/79/42/57/806794257.db2.gz BQUVXTMQQYBDFN-MRXNPFEDSA-N 1 3 274.452 3.428 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CC12CCCCC2 ZINC001255950420 806794841 /nfs/dbraw/zinc/79/48/41/806794841.db2.gz HEEGLSWBSGLHSW-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)(C)Cc1ccncc1 ZINC001255953060 806796837 /nfs/dbraw/zinc/79/68/37/806796837.db2.gz IEOFDPFXPUSVLX-MRXNPFEDSA-N 1 3 291.483 3.360 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001255953104 806797021 /nfs/dbraw/zinc/79/70/21/806797021.db2.gz WXFJJICHAWRZDY-CABCVRRESA-N 1 3 278.440 3.033 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N(C)CCCCCC[NH3+] ZINC000710828182 800040372 /nfs/dbraw/zinc/04/03/72/800040372.db2.gz HAFWQMQHFXMPHG-GFCCVEGCSA-N 1 3 270.367 3.477 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001255954894 806798431 /nfs/dbraw/zinc/79/84/31/806798431.db2.gz KJLHKTAAGVCIBI-KSSFIOAISA-N 1 3 292.442 3.393 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001255958197 806799759 /nfs/dbraw/zinc/79/97/59/806799759.db2.gz ZKYLMLQIAPYRQN-JYJNAYRXSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001255958197 806799761 /nfs/dbraw/zinc/79/97/61/806799761.db2.gz ZKYLMLQIAPYRQN-JYJNAYRXSA-N 1 3 254.462 3.475 20 0 CGADHO CC(C)OC1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000715173015 800132696 /nfs/dbraw/zinc/13/26/96/800132696.db2.gz CLMJATQZBZUXEI-JCCCHCCOSA-N 1 3 282.472 3.185 20 0 CGADHO C[C@@H](F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716654749 800177480 /nfs/dbraw/zinc/17/74/80/800177480.db2.gz KTRMPGVXUGCKJO-UBDQQSCGSA-N 1 3 290.426 3.377 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723563942 800330091 /nfs/dbraw/zinc/33/00/91/800330091.db2.gz BQACMUXEYAXBAI-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO C(C[NH2+]C1CCC(N2CCOCC2)CC1)CC1CCCC1 ZINC001256681852 806947146 /nfs/dbraw/zinc/94/71/46/806947146.db2.gz DMOOYEAZYMOQPW-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678466 806947441 /nfs/dbraw/zinc/94/74/41/806947441.db2.gz WRTRNLATHVHIJT-MRLCAUJQSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@H](CC)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683116 806947932 /nfs/dbraw/zinc/94/79/32/806947932.db2.gz SIZGZCUPTKHOEX-AOCRQIFASA-N 1 3 296.499 3.436 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881253 808474225 /nfs/dbraw/zinc/47/42/25/808474225.db2.gz ZBRVHJJFISQXEA-MNOVXSKESA-N 1 3 272.845 3.005 20 0 CGADHO C[C@H]1CCC[C@@H](CN2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001119517266 802676011 /nfs/dbraw/zinc/67/60/11/802676011.db2.gz QIDMSXXDJIDFEK-JKSUJKDBSA-N 1 3 294.483 3.046 20 0 CGADHO CCSc1ccccc1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812214 813443443 /nfs/dbraw/zinc/44/34/43/813443443.db2.gz YFAHOHBDPCYBRQ-KGLIPLIRSA-N 1 3 278.465 3.358 20 0 CGADHO CN(C)Cc1cccc(-c2ccc(C3CC[NH2+]CC3)cc2)n1 ZINC001245523385 803788335 /nfs/dbraw/zinc/78/83/35/803788335.db2.gz DKGFBPWEKWCLBU-UHFFFAOYSA-N 1 3 295.430 3.277 20 0 CGADHO CCCC[C@H]1C[C@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC001246073587 804112230 /nfs/dbraw/zinc/11/22/30/804112230.db2.gz ICCDMVQFDQZYPK-DLBZAZTESA-N 1 3 272.436 3.054 20 0 CGADHO C[C@H]1CC[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246082951 804118595 /nfs/dbraw/zinc/11/85/95/804118595.db2.gz ZKZLHXAJMAXVQF-HPBDAGMYSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246082235 804119355 /nfs/dbraw/zinc/11/93/55/804119355.db2.gz OKRJJJBABZELOV-UONOGXRCSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(SC[C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC001246097573 804130400 /nfs/dbraw/zinc/13/04/00/804130400.db2.gz YUKCSRPADDBIQV-HUUCEWRRSA-N 1 3 278.465 3.065 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246102502 804135347 /nfs/dbraw/zinc/13/53/47/804135347.db2.gz PMTAIHYTPYFEAN-BPQIPLTHSA-N 1 3 274.452 3.376 20 0 CGADHO CCCC1CCC(NC[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246117013 804147673 /nfs/dbraw/zinc/14/76/73/804147673.db2.gz YQGHGWOKCWPENH-GPANFISMSA-N 1 3 270.436 3.417 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246141872 804164908 /nfs/dbraw/zinc/16/49/08/804164908.db2.gz DNWKYAYSWAMDOE-KURKYZTESA-N 1 3 296.499 3.340 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCNC1 ZINC001246150293 804169560 /nfs/dbraw/zinc/16/95/60/804169560.db2.gz VWDSRYSUAYPAKS-IRXDYDNUSA-N 1 3 278.415 3.079 20 0 CGADHO CCCCCC[C@@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246152784 804171168 /nfs/dbraw/zinc/17/11/68/804171168.db2.gz PXCKRKZAOPLWSZ-ZACQAIPSSA-N 1 3 282.472 3.094 20 0 CGADHO NCCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001246154716 804172253 /nfs/dbraw/zinc/17/22/53/804172253.db2.gz QDDHMQQNSHXHTO-UHFFFAOYSA-N 1 3 266.816 3.305 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)s1 ZINC001246168844 804184565 /nfs/dbraw/zinc/18/45/65/804184565.db2.gz LKGAWYTVYAUYRM-HIFRSBDPSA-N 1 3 280.481 3.355 20 0 CGADHO c1ccc(C2(N[C@H]3CCC[NH2+]CC3)CCCC2)cc1 ZINC001246182152 804195353 /nfs/dbraw/zinc/19/53/53/804195353.db2.gz YHMAMMZQRUZEEF-INIZCTEOSA-N 1 3 258.409 3.188 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N[C@H]1C[C@@H]([NH3+])C1 ZINC001246190665 804199951 /nfs/dbraw/zinc/19/99/51/804199951.db2.gz RBODTEJAVJIQMA-IEBDPFPHSA-N 1 3 288.769 3.019 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246190665 804199954 /nfs/dbraw/zinc/19/99/54/804199954.db2.gz RBODTEJAVJIQMA-IEBDPFPHSA-N 1 3 288.769 3.019 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246229696 804222178 /nfs/dbraw/zinc/22/21/78/804222178.db2.gz LMNANBSZDHNKPK-IKGGRYGDSA-N 1 3 296.499 3.074 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC(C)(C)C1 ZINC001246252260 804237899 /nfs/dbraw/zinc/23/78/99/804237899.db2.gz UUXTWMFXLPEDBX-RBGFHDKUSA-N 1 3 264.457 3.464 20 0 CGADHO C[C@@H]1CC([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C[C@@H](C)N1 ZINC001246252369 804237952 /nfs/dbraw/zinc/23/79/52/804237952.db2.gz VUWDUHLMJAAJLC-BHPKHCPMSA-N 1 3 252.446 3.320 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246275637 804251989 /nfs/dbraw/zinc/25/19/89/804251989.db2.gz BFIVAKRCJJFXHQ-GLQYFDAESA-N 1 3 299.245 3.320 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CN1 ZINC001246287806 804261166 /nfs/dbraw/zinc/26/11/66/804261166.db2.gz LGXLTCPTAXPXOJ-OAUYIBNBSA-N 1 3 276.399 3.397 20 0 CGADHO C[C@@H](CCN)[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246298494 804266589 /nfs/dbraw/zinc/26/65/89/804266589.db2.gz AMSVERRGGXOFOW-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246307484 804269761 /nfs/dbraw/zinc/26/97/61/804269761.db2.gz CGTIWZGZSJLYSO-HZPDHXFCSA-N 1 3 292.854 3.318 20 0 CGADHO C[C@@H]1CC([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C[C@@H](C)N1 ZINC001246306686 804270208 /nfs/dbraw/zinc/27/02/08/804270208.db2.gz XGQWJQVAGLBDIQ-HSMVNMDESA-N 1 3 292.854 3.316 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCC2CCCCC2)C[C@H](C)N1 ZINC001246325291 804281819 /nfs/dbraw/zinc/28/18/19/804281819.db2.gz IVKGSTQKZAIQJL-MIFYACCESA-N 1 3 252.446 3.466 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]CCC1(C)C ZINC001246329062 804283830 /nfs/dbraw/zinc/28/38/30/804283830.db2.gz LIMUHHQDMWDTKU-DLBZAZTESA-N 1 3 274.452 3.376 20 0 CGADHO CC[C@H](C)C1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246332749 804288365 /nfs/dbraw/zinc/28/83/65/804288365.db2.gz HPGVYNCAXUVELD-AOTHYSKPSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCCCc2ccccc2)CCN1 ZINC001246338640 804292467 /nfs/dbraw/zinc/29/24/67/804292467.db2.gz CDLSLKNRCICERE-DLBZAZTESA-N 1 3 260.425 3.130 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)CCN1 ZINC001246345645 804295843 /nfs/dbraw/zinc/29/58/43/804295843.db2.gz JLMMAVGVJRWXGQ-CRAIPNDOSA-N 1 3 299.462 3.467 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246344052 804296262 /nfs/dbraw/zinc/29/62/62/804296262.db2.gz ALWCSDYZFLCIFS-HOCLYGCPSA-N 1 3 298.833 3.388 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+]C1C[C@@H](C)N[C@H](C)C1 ZINC001246373289 804310423 /nfs/dbraw/zinc/31/04/23/804310423.db2.gz PXFNGPFHYCGPKN-HUUCEWRRSA-N 1 3 274.452 3.435 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246381337 804313184 /nfs/dbraw/zinc/31/31/84/804313184.db2.gz PFCOPVQQWQXJTP-CQSZACIVSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCNCC2)C1 ZINC001246381331 804313499 /nfs/dbraw/zinc/31/34/99/804313499.db2.gz PEEVHULQAMWUNX-ZBFHGGJFSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1CC([NH2+]CC(C)(C)CC2CCC2)C[C@@H](C)N1 ZINC001246386093 804316257 /nfs/dbraw/zinc/31/62/57/804316257.db2.gz DNCAXHMAHCZVRQ-CHWSQXEVSA-N 1 3 252.446 3.321 20 0 CGADHO CCC(CC)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246393193 804319284 /nfs/dbraw/zinc/31/92/84/804319284.db2.gz VHCMVGBXRZNHPU-UHFFFAOYSA-N 1 3 278.415 3.269 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246395572 804319585 /nfs/dbraw/zinc/31/95/85/804319585.db2.gz WHNBMTPKWMOCLZ-ZFWWWQNUSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246396952 804321298 /nfs/dbraw/zinc/32/12/98/804321298.db2.gz RBNIHNBJIRMSIQ-DOTOQJQBSA-N 1 3 272.436 3.048 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246396997 804321851 /nfs/dbraw/zinc/32/18/51/804321851.db2.gz RFALQKVECCOMOO-ZWKOTPCHSA-N 1 3 286.463 3.438 20 0 CGADHO C[C@@H]1CC([NH2+]C(C)(C)Cc2cccc(F)c2)C[C@@H](C)N1 ZINC001246411000 804322998 /nfs/dbraw/zinc/32/29/98/804322998.db2.gz NMZQYIPYTNYCFE-CHWSQXEVSA-N 1 3 278.415 3.265 20 0 CGADHO CC1(C)[C@@H]2C[C@H](NC3(c4ccccc4)CC[NH2+]CC3)C[C@@H]21 ZINC001246432744 804332068 /nfs/dbraw/zinc/33/20/68/804332068.db2.gz XCUDKNVGUNMJMS-BJWYYQGGSA-N 1 3 284.447 3.290 20 0 CGADHO CC1(C)C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246434590 804332079 /nfs/dbraw/zinc/33/20/79/804332079.db2.gz NMXIGBUTGLLAFG-HNNXBMFYSA-N 1 3 290.426 3.411 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)CCN1 ZINC001246434590 804332087 /nfs/dbraw/zinc/33/20/87/804332087.db2.gz NMXIGBUTGLLAFG-HNNXBMFYSA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246434586 804332885 /nfs/dbraw/zinc/33/28/85/804332885.db2.gz NKBUEEHLFOOPCR-HZPDHXFCSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H]1CC([NH2+]CC2(Cc3ccccc3F)CC2)C[C@@H](C)N1 ZINC001246439249 804334344 /nfs/dbraw/zinc/33/43/44/804334344.db2.gz NTDQMPYAXBEXQP-ZIAGYGMSSA-N 1 3 290.426 3.267 20 0 CGADHO C[C@H]1CCC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246448419 804336688 /nfs/dbraw/zinc/33/66/88/804336688.db2.gz UJKWLFMTJVPLOD-GOEBONIOSA-N 1 3 264.457 3.467 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246456152 804337523 /nfs/dbraw/zinc/33/75/23/804337523.db2.gz ZUYOGEYMXVSGCM-SQNIBIBYSA-N 1 3 290.426 3.193 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246457810 804339379 /nfs/dbraw/zinc/33/93/79/804339379.db2.gz DQXYGKRBZHAAPB-BLIJUIGDSA-N 1 3 284.447 3.283 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCNCC12CC2 ZINC001246473627 804350073 /nfs/dbraw/zinc/35/00/73/804350073.db2.gz MIQWZIWCSIMPQV-HNNXBMFYSA-N 1 3 252.446 3.179 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246461327 804342706 /nfs/dbraw/zinc/34/27/06/804342706.db2.gz OYBJQMASSWLKDQ-ZACQAIPSSA-N 1 3 260.425 3.257 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246461327 804342712 /nfs/dbraw/zinc/34/27/12/804342712.db2.gz OYBJQMASSWLKDQ-ZACQAIPSSA-N 1 3 260.425 3.257 20 0 CGADHO C[C@H]1CC(NC[C@]2(CC3CC3)CCC[NH2+]2)C[C@H](C)C1 ZINC001246462366 804343804 /nfs/dbraw/zinc/34/38/04/804343804.db2.gz QODNVQVJGOKCJZ-CKEIUWERSA-N 1 3 264.457 3.323 20 0 CGADHO CC[C@@H]([NH2+][C@H](Cc1ccccc1)CC(C)C)C1CNC1 ZINC001246513366 804366567 /nfs/dbraw/zinc/36/65/67/804366567.db2.gz DLMRGNLIHYGQCZ-ZWKOTPCHSA-N 1 3 274.452 3.231 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246509886 804367026 /nfs/dbraw/zinc/36/70/26/804367026.db2.gz KFATYJZFJPRMPB-VDHUWJSZSA-N 1 3 272.436 3.443 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246512820 804367042 /nfs/dbraw/zinc/36/70/42/804367042.db2.gz CHAFIBRXNFVCSB-OALUTQOASA-N 1 3 286.463 3.376 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246513889 804369584 /nfs/dbraw/zinc/36/95/84/804369584.db2.gz FUPNPNQRGPAXCE-MAZHCROVSA-N 1 3 252.446 3.179 20 0 CGADHO c1ccc(CC2CCC([NH2+][C@@H](C3CC3)C3CNC3)CC2)cc1 ZINC001246520452 804373375 /nfs/dbraw/zinc/37/33/75/804373375.db2.gz WHHISSQPLQRCAM-GQOXECLESA-N 1 3 298.474 3.376 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CCC[C@@H]([NH3+])CC1 ZINC001246539067 804387580 /nfs/dbraw/zinc/38/75/80/804387580.db2.gz APGJRCKAYKQNCO-TZMCWYRMSA-N 1 3 282.428 3.120 20 0 CGADHO CN(Cc1ccc(Cl)cc1Cl)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246538072 804388029 /nfs/dbraw/zinc/38/80/29/804388029.db2.gz MHUYGILVLXBYPV-DABQJJPHSA-N 1 3 299.245 3.423 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246562903 804411759 /nfs/dbraw/zinc/41/17/59/804411759.db2.gz IGPFSFPYJXQPBL-PVUWLOKVSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246562903 804411766 /nfs/dbraw/zinc/41/17/66/804411766.db2.gz IGPFSFPYJXQPBL-PVUWLOKVSA-N 1 3 292.854 3.257 20 0 CGADHO CC(C)=CCC[C@H](C)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246573414 804421024 /nfs/dbraw/zinc/42/10/24/804421024.db2.gz CERLKFDGIOPZOB-GJZGRUSLSA-N 1 3 256.409 3.274 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@@H]1C ZINC001246573772 804421218 /nfs/dbraw/zinc/42/12/18/804421218.db2.gz MEFFIAOGBFLVTF-LEOABGAYSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@@H]1C ZINC001246573772 804421222 /nfs/dbraw/zinc/42/12/22/804421222.db2.gz MEFFIAOGBFLVTF-LEOABGAYSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@]1(F)CCN(C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1F ZINC001246589999 804432156 /nfs/dbraw/zinc/43/21/56/804432156.db2.gz RFWIENFUYYBRBM-CABCVRRESA-N 1 3 286.410 3.071 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246592391 804433042 /nfs/dbraw/zinc/43/30/42/804433042.db2.gz QLKHEVFAYSSLMK-MGPQQGTHSA-N 1 3 280.843 3.330 20 0 CGADHO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246604400 804440100 /nfs/dbraw/zinc/44/01/00/804440100.db2.gz LROUFACGMQHNDA-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246604400 804440101 /nfs/dbraw/zinc/44/01/01/804440101.db2.gz LROUFACGMQHNDA-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](CC(C)C)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246611371 804445334 /nfs/dbraw/zinc/44/53/34/804445334.db2.gz PFSQAQPDIRYKSY-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](CC(C)C)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246611371 804445338 /nfs/dbraw/zinc/44/53/38/804445338.db2.gz PFSQAQPDIRYKSY-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC1(C)CCC[C@@H]([N@@H+]2CCC[C@]23CCCNC3)C1 ZINC001246612847 804447378 /nfs/dbraw/zinc/44/73/78/804447378.db2.gz XNSHQUJSTOUSSC-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@@H]([N@H+]2CCC[C@]23CCCNC3)C1 ZINC001246612847 804447381 /nfs/dbraw/zinc/44/73/81/804447381.db2.gz XNSHQUJSTOUSSC-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO CCCCC(CCCC)[N@@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246624601 804456622 /nfs/dbraw/zinc/45/66/22/804456622.db2.gz VMIUGBJNGQVGRW-KRWDZBQOSA-N 1 3 282.472 3.190 20 0 CGADHO CCCCC(CCCC)[N@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246624601 804456626 /nfs/dbraw/zinc/45/66/26/804456626.db2.gz VMIUGBJNGQVGRW-KRWDZBQOSA-N 1 3 282.472 3.190 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCCc4ccccc43)CC2)CCN1 ZINC001246628202 804458812 /nfs/dbraw/zinc/45/88/12/804458812.db2.gz WWSCZMRERICLJP-AEFFLSMTSA-N 1 3 298.474 3.497 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629418 804460471 /nfs/dbraw/zinc/46/04/71/804460471.db2.gz ZCFYPPXKKLGGIZ-IPMKNSEASA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629418 804460474 /nfs/dbraw/zinc/46/04/74/804460474.db2.gz ZCFYPPXKKLGGIZ-IPMKNSEASA-N 1 3 286.463 3.472 20 0 CGADHO C1C[C@]2(CC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638442 804467860 /nfs/dbraw/zinc/46/78/60/804467860.db2.gz SFLHXXXSUMJFRY-NVXWUHKLSA-N 1 3 262.441 3.317 20 0 CGADHO C1C[C@]2(CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638442 804467862 /nfs/dbraw/zinc/46/78/62/804467862.db2.gz SFLHXXXSUMJFRY-NVXWUHKLSA-N 1 3 262.441 3.317 20 0 CGADHO CC[C@H]1C[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246644127 804472040 /nfs/dbraw/zinc/47/20/40/804472040.db2.gz JQSVHHXFEQUEMX-ROUUACIJSA-N 1 3 298.474 3.497 20 0 CGADHO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246652457 804479050 /nfs/dbraw/zinc/47/90/50/804479050.db2.gz PELOPWLPTOUKGK-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CC[C@@H]([N@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246652457 804479052 /nfs/dbraw/zinc/47/90/52/804479052.db2.gz PELOPWLPTOUKGK-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140639721 804481058 /nfs/dbraw/zinc/48/10/58/804481058.db2.gz NRPAUZARIXPXIH-OKILXGFUSA-N 1 3 286.444 3.285 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140639721 804481060 /nfs/dbraw/zinc/48/10/60/804481060.db2.gz NRPAUZARIXPXIH-OKILXGFUSA-N 1 3 286.444 3.285 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654520 804481170 /nfs/dbraw/zinc/48/11/70/804481170.db2.gz WKLMQICMZDCVRQ-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654520 804481173 /nfs/dbraw/zinc/48/11/73/804481173.db2.gz WKLMQICMZDCVRQ-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCCC[C@]23CCC[NH2+]C3)C1 ZINC001246654520 804481176 /nfs/dbraw/zinc/48/11/76/804481176.db2.gz WKLMQICMZDCVRQ-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658794 804483335 /nfs/dbraw/zinc/48/33/35/804483335.db2.gz AOZUEHCJBNRLAL-XDNAFOTISA-N 1 3 270.420 3.149 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246685738 804495539 /nfs/dbraw/zinc/49/55/39/804495539.db2.gz BDWBTAIPRRMSPZ-ARFHVFGLSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246685738 804495544 /nfs/dbraw/zinc/49/55/44/804495544.db2.gz BDWBTAIPRRMSPZ-ARFHVFGLSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773626 804503871 /nfs/dbraw/zinc/50/38/71/804503871.db2.gz BVVVPSIVUFGVFK-KBAYOESNSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773626 804503874 /nfs/dbraw/zinc/50/38/74/804503874.db2.gz BVVVPSIVUFGVFK-KBAYOESNSA-N 1 3 272.436 3.082 20 0 CGADHO CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246774737 804505356 /nfs/dbraw/zinc/50/53/56/804505356.db2.gz GNVJQMACHGAXIJ-IRXDYDNUSA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](CC)C1 ZINC001246774737 804505362 /nfs/dbraw/zinc/50/53/62/804505362.db2.gz GNVJQMACHGAXIJ-IRXDYDNUSA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](CC)C1 ZINC001246774737 804505365 /nfs/dbraw/zinc/50/53/65/804505365.db2.gz GNVJQMACHGAXIJ-IRXDYDNUSA-N 1 3 260.425 3.429 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246781383 804508510 /nfs/dbraw/zinc/50/85/10/804508510.db2.gz FYIPXUDRNAPRIY-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246780415 804508809 /nfs/dbraw/zinc/50/88/09/804508809.db2.gz VNIQRLBQJGXXMA-HYVNUMGLSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246780415 804508811 /nfs/dbraw/zinc/50/88/11/804508811.db2.gz VNIQRLBQJGXXMA-HYVNUMGLSA-N 1 3 258.409 3.007 20 0 CGADHO CC[C@@H]1CC([N@H+](CC2CC2)C(C)C)C[C@@H](CC)N1 ZINC001246788647 804513700 /nfs/dbraw/zinc/51/37/00/804513700.db2.gz HQGLGZPXVRACQQ-HUUCEWRRSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1CC([N@@H+](CC2CC2)C(C)C)C[C@@H](CC)N1 ZINC001246788647 804513704 /nfs/dbraw/zinc/51/37/04/804513704.db2.gz HQGLGZPXVRACQQ-HUUCEWRRSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@H](C)C1 ZINC001246810084 804526701 /nfs/dbraw/zinc/52/67/01/804526701.db2.gz MHPNBSLIWIREIJ-KBUPBQIOSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@H](C)C1 ZINC001246810084 804526706 /nfs/dbraw/zinc/52/67/06/804526706.db2.gz MHPNBSLIWIREIJ-KBUPBQIOSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@H]1C[C@H](N2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815452 804531944 /nfs/dbraw/zinc/53/19/44/804531944.db2.gz CVTLFUZEWJMFQK-QZTJIDSGSA-N 1 3 272.436 3.211 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(Cc2ccccc2F)CC1 ZINC001246820502 804535030 /nfs/dbraw/zinc/53/50/30/804535030.db2.gz GGDPDVJKZMFDCY-AWEZNQCLSA-N 1 3 278.415 3.078 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](C)CC2CCCC2)C[C@H](CC)N1 ZINC001246841117 804549953 /nfs/dbraw/zinc/54/99/53/804549953.db2.gz MOCVZXJRIWTZKP-ZSHCYNCHSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](C)CC2CCCC2)C[C@H](CC)N1 ZINC001246841117 804549958 /nfs/dbraw/zinc/54/99/58/804549958.db2.gz MOCVZXJRIWTZKP-ZSHCYNCHSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N(C)C[C@H]1CCC[NH2+]C1 ZINC001246844610 804554108 /nfs/dbraw/zinc/55/41/08/804554108.db2.gz ZSWJPPWMFIQCPN-KGLIPLIRSA-N 1 3 280.843 3.202 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3C[C@@H]4CCNC[C@@H]4C3)CC2)cc1 ZINC001246847158 804556380 /nfs/dbraw/zinc/55/63/80/804556380.db2.gz QDKGFHLUCJPHBL-FUFFSDJGSA-N 1 3 298.474 3.329 20 0 CGADHO c1ccc(CC2CCC([N@H+]3C[C@@H]4CCNC[C@@H]4C3)CC2)cc1 ZINC001246847158 804556386 /nfs/dbraw/zinc/55/63/86/804556386.db2.gz QDKGFHLUCJPHBL-FUFFSDJGSA-N 1 3 298.474 3.329 20 0 CGADHO CC(C)[C@@H]1C[C@H](N2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851060 804560245 /nfs/dbraw/zinc/56/02/45/804560245.db2.gz YDOWTOAQIKZTJG-JQHSSLGASA-N 1 3 290.426 3.392 20 0 CGADHO CCCC[C@@H](CC(C)C)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246869121 804571874 /nfs/dbraw/zinc/57/18/74/804571874.db2.gz TYUQUCUMTIVTRX-JYJNAYRXSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(C)C)CCN1 ZINC001246885886 804579720 /nfs/dbraw/zinc/57/97/20/804579720.db2.gz GIBGQWOGOTWYNZ-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)C)CCN1 ZINC001246885886 804579724 /nfs/dbraw/zinc/57/97/24/804579724.db2.gz GIBGQWOGOTWYNZ-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CCN(Cc1ccc(C)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246910562 804594856 /nfs/dbraw/zinc/59/48/56/804594856.db2.gz UWZNZPLKFQUMEA-HUUCEWRRSA-N 1 3 260.425 3.346 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(C)cc1 ZINC001246935294 804606884 /nfs/dbraw/zinc/60/68/84/804606884.db2.gz GPBNWLPFPCXMLT-CVEARBPZSA-N 1 3 292.492 3.407 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246938310 804610551 /nfs/dbraw/zinc/61/05/51/804610551.db2.gz LXSRINKTYKMMLS-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246938310 804610555 /nfs/dbraw/zinc/61/05/55/804610555.db2.gz LXSRINKTYKMMLS-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cc(Cl)ccc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001141233641 804619322 /nfs/dbraw/zinc/61/93/22/804619322.db2.gz SICONJMHFHFQGF-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001141233641 804619326 /nfs/dbraw/zinc/61/93/26/804619326.db2.gz SICONJMHFHFQGF-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246967218 804620724 /nfs/dbraw/zinc/62/07/24/804620724.db2.gz MKVWBNLMABDUDA-XIRDDKMYSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246967218 804620730 /nfs/dbraw/zinc/62/07/30/804620730.db2.gz MKVWBNLMABDUDA-XIRDDKMYSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977993 804626112 /nfs/dbraw/zinc/62/61/12/804626112.db2.gz GTQXCROGIQCHIM-NEWSRXKRSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977993 804626115 /nfs/dbraw/zinc/62/61/15/804626115.db2.gz GTQXCROGIQCHIM-NEWSRXKRSA-N 1 3 286.463 3.472 20 0 CGADHO Cc1ccc2cc(C[NH+]3CCC4(CN(C)C4)CC3)ccc2n1 ZINC001141482864 804645206 /nfs/dbraw/zinc/64/52/06/804645206.db2.gz SPDZSNCDFSCXJP-UHFFFAOYSA-N 1 3 295.430 3.071 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc(C(F)F)cc3)C2)CC1 ZINC001143253605 804829614 /nfs/dbraw/zinc/82/96/14/804829614.db2.gz WXUIAFBECVYADN-UHFFFAOYSA-N 1 3 280.362 3.152 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(F)cc(F)c1C ZINC001143768761 804894417 /nfs/dbraw/zinc/89/44/17/804894417.db2.gz AQQULFOXJCCVIK-UHFFFAOYSA-N 1 3 284.394 3.437 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(F)cc(F)c1C ZINC001143768761 804894424 /nfs/dbraw/zinc/89/44/24/804894424.db2.gz AQQULFOXJCCVIK-UHFFFAOYSA-N 1 3 284.394 3.437 20 0 CGADHO Cc1c(F)cc(F)cc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001143768014 804894705 /nfs/dbraw/zinc/89/47/05/804894705.db2.gz VAXBXVOGDJOZQD-UHFFFAOYSA-N 1 3 294.389 3.191 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cccc2c1CCC2 ZINC001249459467 805153435 /nfs/dbraw/zinc/15/34/35/805153435.db2.gz VTOYGVHRXHCPTH-UHFFFAOYSA-N 1 3 274.452 3.339 20 0 CGADHO CCC[C@@H](CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001257249902 807069455 /nfs/dbraw/zinc/06/94/55/807069455.db2.gz DNEBCHMYZQOFLO-GOSISDBHSA-N 1 3 289.467 3.462 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC001257664320 807207583 /nfs/dbraw/zinc/20/75/83/807207583.db2.gz OBIWSOSILONEFM-CQSZACIVSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001258001368 807262705 /nfs/dbraw/zinc/26/27/05/807262705.db2.gz NMMBHBOPYVFURC-ZDUSSCGKSA-N 1 3 274.399 3.132 20 0 CGADHO CC(C)CN1CCC([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001258005333 807264590 /nfs/dbraw/zinc/26/45/90/807264590.db2.gz OSRXTMMRFIVGHB-UHFFFAOYSA-N 1 3 275.440 3.027 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067798 807288083 /nfs/dbraw/zinc/28/80/83/807288083.db2.gz UTXKOQUKZRCFHK-HZMVEIRTSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067798 807288089 /nfs/dbraw/zinc/28/80/89/807288089.db2.gz UTXKOQUKZRCFHK-HZMVEIRTSA-N 1 3 266.473 3.331 20 0 CGADHO CCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982095 807290107 /nfs/dbraw/zinc/29/01/07/807290107.db2.gz WUIJJVCFGCBWHW-XYPWUTKMSA-N 1 3 250.430 3.124 20 0 CGADHO CCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982095 807290110 /nfs/dbraw/zinc/29/01/10/807290110.db2.gz WUIJJVCFGCBWHW-XYPWUTKMSA-N 1 3 250.430 3.124 20 0 CGADHO C[C@]1(CF)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983834 807291230 /nfs/dbraw/zinc/29/12/30/807291230.db2.gz JHLUCGQSIKPKNB-FCLJQHQZSA-N 1 3 280.431 3.073 20 0 CGADHO C[C@]1(CF)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983834 807291234 /nfs/dbraw/zinc/29/12/34/807291234.db2.gz JHLUCGQSIKPKNB-FCLJQHQZSA-N 1 3 280.431 3.073 20 0 CGADHO C[C@]1(CF)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167983834 807291238 /nfs/dbraw/zinc/29/12/38/807291238.db2.gz JHLUCGQSIKPKNB-FCLJQHQZSA-N 1 3 280.431 3.073 20 0 CGADHO C[C@]1(CF)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167983834 807291243 /nfs/dbraw/zinc/29/12/43/807291243.db2.gz JHLUCGQSIKPKNB-FCLJQHQZSA-N 1 3 280.431 3.073 20 0 CGADHO C[C@@H]1CC(N2CC=CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041597 807302945 /nfs/dbraw/zinc/30/29/45/807302945.db2.gz UASCDMQHUCBXHY-HZPDHXFCSA-N 1 3 270.420 3.300 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC(N(C)C)CC1 ZINC001168171922 807333818 /nfs/dbraw/zinc/33/38/18/807333818.db2.gz YTPJCQABIOPVSG-CYBMUJFWSA-N 1 3 280.843 3.297 20 0 CGADHO c1ccc([C@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168357514 807391892 /nfs/dbraw/zinc/39/18/92/807391892.db2.gz DYDAZYSKPPYSOB-MSOLQXFVSA-N 1 3 270.420 3.007 20 0 CGADHO CSC(C)(C)C[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC001258332349 807414175 /nfs/dbraw/zinc/41/41/75/807414175.db2.gz VTOOVMBIDTVBDA-CQSZACIVSA-N 1 3 284.513 3.467 20 0 CGADHO CSC(C)(C)C[C@@H](C)[NH+]1CCC(N2CCCC2)CC1 ZINC001258332349 807414179 /nfs/dbraw/zinc/41/41/79/807414179.db2.gz VTOOVMBIDTVBDA-CQSZACIVSA-N 1 3 284.513 3.467 20 0 CGADHO COCCC1(N)CC[NH+]([C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001258691587 807547023 /nfs/dbraw/zinc/54/70/23/807547023.db2.gz GSZCIVKMXKZHNL-GJZGRUSLSA-N 1 3 282.472 3.031 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)c1ccccc1)C2 ZINC001169081066 807569568 /nfs/dbraw/zinc/56/95/68/807569568.db2.gz PKMPKBODICMERB-MUJYYYPQSA-N 1 3 258.409 3.137 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)c1ccccc1)C2 ZINC001169081066 807569574 /nfs/dbraw/zinc/56/95/74/807569574.db2.gz PKMPKBODICMERB-MUJYYYPQSA-N 1 3 258.409 3.137 20 0 CGADHO CCN(Cc1cccc(OC)c1)C1CC[NH+](CC)CC1 ZINC001169265709 807619521 /nfs/dbraw/zinc/61/95/21/807619521.db2.gz QBFVMOARHPKDOC-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001258826302 807641009 /nfs/dbraw/zinc/64/10/09/807641009.db2.gz CLAXOSGXWTYCQT-CJNGLKHVSA-N 1 3 250.430 3.124 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)Nc1cccc(F)c1CN ZINC001258897805 807669055 /nfs/dbraw/zinc/66/90/55/807669055.db2.gz COIKWLOQODVVAW-CYBMUJFWSA-N 1 3 281.419 3.207 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCC(=O)c1cccc(F)c1 ZINC001258905757 807671500 /nfs/dbraw/zinc/67/15/00/807671500.db2.gz WRPZFEXRCBDIJF-CQSZACIVSA-N 1 3 294.414 3.109 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](F)CC2)CC1(C)C ZINC001171630797 808107464 /nfs/dbraw/zinc/10/74/64/808107464.db2.gz CCGKZALPRJMFTJ-CYBMUJFWSA-N 1 3 270.436 3.462 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](F)CC2)CC1(C)C ZINC001171630797 808107468 /nfs/dbraw/zinc/10/74/68/808107468.db2.gz CCGKZALPRJMFTJ-CYBMUJFWSA-N 1 3 270.436 3.462 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001171673809 808120084 /nfs/dbraw/zinc/12/00/84/808120084.db2.gz YSIFGUNGTVWCCZ-QRQLOZEOSA-N 1 3 286.463 3.200 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001171673809 808120087 /nfs/dbraw/zinc/12/00/87/808120087.db2.gz YSIFGUNGTVWCCZ-QRQLOZEOSA-N 1 3 286.463 3.200 20 0 CGADHO CC[NH+](CC)CCCN1CCc2ccccc2[C@@H](C)C1 ZINC001171739996 808128336 /nfs/dbraw/zinc/12/83/36/808128336.db2.gz AIEUWIAWUZHRHQ-INIZCTEOSA-N 1 3 274.452 3.380 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001171739996 808128337 /nfs/dbraw/zinc/12/83/37/808128337.db2.gz AIEUWIAWUZHRHQ-INIZCTEOSA-N 1 3 274.452 3.380 20 0 CGADHO CCN(CC)CCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC001171739996 808128342 /nfs/dbraw/zinc/12/83/42/808128342.db2.gz AIEUWIAWUZHRHQ-INIZCTEOSA-N 1 3 274.452 3.380 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N(C)C[C@@H](C)C[NH3+] ZINC001171965468 808161374 /nfs/dbraw/zinc/16/13/74/808161374.db2.gz RAFRDYYSLMUZGZ-NWDGAFQWSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](C)CN ZINC001171965468 808161376 /nfs/dbraw/zinc/16/13/76/808161376.db2.gz RAFRDYYSLMUZGZ-NWDGAFQWSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](C)CN ZINC001171965468 808161377 /nfs/dbraw/zinc/16/13/77/808161377.db2.gz RAFRDYYSLMUZGZ-NWDGAFQWSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@@H](C[NH3+])CN(C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965469 808161766 /nfs/dbraw/zinc/16/17/66/808161766.db2.gz RAFRDYYSLMUZGZ-RYUDHWBXSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@@H](CN)C[N@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965469 808161773 /nfs/dbraw/zinc/16/17/73/808161773.db2.gz RAFRDYYSLMUZGZ-RYUDHWBXSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965469 808161776 /nfs/dbraw/zinc/16/17/76/808161776.db2.gz RAFRDYYSLMUZGZ-RYUDHWBXSA-N 1 3 288.357 3.163 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100529 808172628 /nfs/dbraw/zinc/17/26/28/808172628.db2.gz DOWUSDUHXSLLPF-DZUCGIPZSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100529 808172632 /nfs/dbraw/zinc/17/26/32/808172632.db2.gz DOWUSDUHXSLLPF-DZUCGIPZSA-N 1 3 288.435 3.361 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccccc31)C2 ZINC001172103991 808175219 /nfs/dbraw/zinc/17/52/19/808175219.db2.gz YOKWKZRSLGRKKK-XLMAVXFVSA-N 1 3 270.420 3.279 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccccc31)C2 ZINC001172103991 808175221 /nfs/dbraw/zinc/17/52/21/808175221.db2.gz YOKWKZRSLGRKKK-XLMAVXFVSA-N 1 3 270.420 3.279 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)nc1 ZINC001172105377 808176977 /nfs/dbraw/zinc/17/69/77/808176977.db2.gz HXJZOPYEELMTDS-FPCVCCKLSA-N 1 3 273.424 3.056 20 0 CGADHO CC(C)COCC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172464752 808334738 /nfs/dbraw/zinc/33/47/38/808334738.db2.gz ODUMILRDYLULBS-INIZCTEOSA-N 1 3 296.499 3.434 20 0 CGADHO CCCOC1CCC([NH+]2CCC(N(C)CC)CC2)CC1 ZINC001173102926 808510133 /nfs/dbraw/zinc/51/01/33/808510133.db2.gz UMEHRBCTVYTUGU-UHFFFAOYSA-N 1 3 282.472 3.140 20 0 CGADHO CC[NH+](CC)C1CCC(N2CCc3cnccc3C2)CC1 ZINC001173109190 808512180 /nfs/dbraw/zinc/51/21/80/808512180.db2.gz ZGIWQWXRXHBQQO-UHFFFAOYSA-N 1 3 287.451 3.093 20 0 CGADHO CCSC[C@H](C)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001173296591 808596486 /nfs/dbraw/zinc/59/64/86/808596486.db2.gz UNHUNNXUBBICGD-ZDUSSCGKSA-N 1 3 296.455 3.217 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)[nH]c2ccccc21 ZINC001275957505 808979441 /nfs/dbraw/zinc/97/94/41/808979441.db2.gz ZZXSJFVCSAJUDI-GOOCMWNKSA-N 1 3 283.419 3.191 20 0 CGADHO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC001276228587 808994565 /nfs/dbraw/zinc/99/45/65/808994565.db2.gz ZHYFNNMDGUGLNB-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC001276228587 808994570 /nfs/dbraw/zinc/99/45/70/808994570.db2.gz ZHYFNNMDGUGLNB-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO CN1CCC=C(Nc2ccc(C3CC[NH+](C)CC3)cc2)C1 ZINC001175576797 809458235 /nfs/dbraw/zinc/45/82/35/809458235.db2.gz UCDWSMWLBAEZJH-UHFFFAOYSA-N 1 3 285.435 3.127 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2(OC)CCCCCC2)C1 ZINC001179855675 809951271 /nfs/dbraw/zinc/95/12/71/809951271.db2.gz YYDXEBHSKXVFSF-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2(OC)CCCCCC2)C1 ZINC001179855675 809951276 /nfs/dbraw/zinc/95/12/76/809951276.db2.gz YYDXEBHSKXVFSF-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)CCc1ccc(F)cc1F ZINC001184196450 810181686 /nfs/dbraw/zinc/18/16/86/810181686.db2.gz HISNSURVWSDGTE-UHFFFAOYSA-N 1 3 284.394 3.027 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)CCc1ccc(F)cc1F ZINC001184196450 810181690 /nfs/dbraw/zinc/18/16/90/810181690.db2.gz HISNSURVWSDGTE-UHFFFAOYSA-N 1 3 284.394 3.027 20 0 CGADHO CCc1ccccc1CCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001196630983 811356483 /nfs/dbraw/zinc/35/64/83/811356483.db2.gz BZVNOSVZSLFYMK-RTBURBONSA-N 1 3 286.463 3.065 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CC[C@H](C)SC1 ZINC001198901551 811552458 /nfs/dbraw/zinc/55/24/58/811552458.db2.gz WTUZHWXCSJNUOP-GJZGRUSLSA-N 1 3 272.502 3.372 20 0 CGADHO Cc1cc2cc(C[NH2+][C@@H](C)CCN(C)C)oc2cc1C ZINC001199906728 811608604 /nfs/dbraw/zinc/60/86/04/811608604.db2.gz OCPSVWCALRLEOX-AWEZNQCLSA-N 1 3 274.408 3.479 20 0 CGADHO Cc1ccc(C)c(CN2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001203753015 812454443 /nfs/dbraw/zinc/45/44/43/812454443.db2.gz WIOSOLIACDUUTH-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC001204591567 812683079 /nfs/dbraw/zinc/68/30/79/812683079.db2.gz GSJNSNBONAHGQN-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC001204591567 812683082 /nfs/dbraw/zinc/68/30/82/812683082.db2.gz GSJNSNBONAHGQN-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO Cc1cnccc1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204670663 812704213 /nfs/dbraw/zinc/70/42/13/812704213.db2.gz FLHJTWGFSNPCMM-UHFFFAOYSA-N 1 3 269.392 3.444 20 0 CGADHO Cc1ncc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)n1C ZINC001204691062 812710026 /nfs/dbraw/zinc/71/00/26/812710026.db2.gz UKBKRUALCAHAOT-UHFFFAOYSA-N 1 3 272.396 3.360 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc2ccccc21 ZINC001205064665 812842612 /nfs/dbraw/zinc/84/26/12/812842612.db2.gz UUZRXZZDSXSRRD-BBRMVZONSA-N 1 3 254.377 3.151 20 0 CGADHO Cc1cccc2c1CCN(Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001205164899 812895636 /nfs/dbraw/zinc/89/56/36/812895636.db2.gz VDRFHXJPALYOCI-UHFFFAOYSA-N 1 3 298.455 3.261 20 0 CGADHO C[C@H]1CCN(Cc2cccc(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC001205303629 812941791 /nfs/dbraw/zinc/94/17/91/812941791.db2.gz IWZJAGMSTXQAKJ-HOCLYGCPSA-N 1 3 274.452 3.401 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C3CCC3)cc2)C[C@@H]1C[NH3+] ZINC001205317172 812949119 /nfs/dbraw/zinc/94/91/19/812949119.db2.gz MYXGQIVZGMRMQX-KSSFIOAISA-N 1 3 272.436 3.371 20 0 CGADHO Cc1c(C[N@H+]2C[C@@H](C)[C@H](N)C2)cccc1-c1ccccc1 ZINC001206075341 813192186 /nfs/dbraw/zinc/19/21/86/813192186.db2.gz HDSGQCJNRRLDCM-AUUYWEPGSA-N 1 3 280.415 3.441 20 0 CGADHO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](N)C2)cccc1-c1ccccc1 ZINC001206075341 813192188 /nfs/dbraw/zinc/19/21/88/813192188.db2.gz HDSGQCJNRRLDCM-AUUYWEPGSA-N 1 3 280.415 3.441 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)CC[C@@H]1F ZINC001206188924 813233738 /nfs/dbraw/zinc/23/37/38/813233738.db2.gz WGJLOQXGKNUNFB-DLBZAZTESA-N 1 3 299.393 3.010 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CCNC[C@H](C)C2)c(C)c1C ZINC001206278164 813268384 /nfs/dbraw/zinc/26/83/84/813268384.db2.gz ZIZUZJFWXSOZRS-LBPRGKRZSA-N 1 3 274.452 3.270 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CCNC[C@H](C)C2)c(C)c1C ZINC001206278164 813268388 /nfs/dbraw/zinc/26/83/88/813268388.db2.gz ZIZUZJFWXSOZRS-LBPRGKRZSA-N 1 3 274.452 3.270 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC001206305245 813282314 /nfs/dbraw/zinc/28/23/14/813282314.db2.gz XBVCXKFENYCLFH-GOSISDBHSA-N 1 3 299.418 3.293 20 0 CGADHO Cc1c(F)cccc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582928 813362157 /nfs/dbraw/zinc/36/21/57/813362157.db2.gz QFYCESZHZBPGHY-INIZCTEOSA-N 1 3 278.415 3.487 20 0 CGADHO Cc1ccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)cc1F ZINC001206584211 813364040 /nfs/dbraw/zinc/36/40/40/813364040.db2.gz XPRBZUNBESICQW-INIZCTEOSA-N 1 3 278.415 3.487 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)CN(C)C)cn1 ZINC001207282815 813533172 /nfs/dbraw/zinc/53/31/72/813533172.db2.gz PWIDLTFKHOZICB-INIZCTEOSA-N 1 3 275.440 3.115 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2CC(C)(C)CN(C)C)cn1 ZINC001207282815 813533178 /nfs/dbraw/zinc/53/31/78/813533178.db2.gz PWIDLTFKHOZICB-INIZCTEOSA-N 1 3 275.440 3.115 20 0 CGADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1CC1CC[NH2+]CC1 ZINC001207439639 813564886 /nfs/dbraw/zinc/56/48/86/813564886.db2.gz WQBGHEQJWXFYFD-SJORKVTESA-N 1 3 282.472 3.249 20 0 CGADHO CCCc1ccc(CNC[C@H]2C[NH+]3CCC2CC3)s1 ZINC001207723213 813639944 /nfs/dbraw/zinc/63/99/44/813639944.db2.gz DJYHGQLGQOFJFZ-AWEZNQCLSA-N 1 3 278.465 3.132 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@H]2CN3CCC2CC3)s1 ZINC001207723213 813639949 /nfs/dbraw/zinc/63/99/49/813639949.db2.gz DJYHGQLGQOFJFZ-AWEZNQCLSA-N 1 3 278.465 3.132 20 0 CGADHO CS[C@H](C)CC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001208140217 813705569 /nfs/dbraw/zinc/70/55/69/813705569.db2.gz DVEKGPGUPUYDFT-CVEARBPZSA-N 1 3 284.513 3.468 20 0 CGADHO CS[C@H](C)CC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001208140217 813705572 /nfs/dbraw/zinc/70/55/72/813705572.db2.gz DVEKGPGUPUYDFT-CVEARBPZSA-N 1 3 284.513 3.468 20 0 CGADHO Cc1ccc([C@@H](C)CCN2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC001208165616 813720570 /nfs/dbraw/zinc/72/05/70/813720570.db2.gz GMZVGAPXXAJALM-YOEHRIQHSA-N 1 3 276.424 3.109 20 0 CGADHO Cc1ccc([C@@H](C)CCN2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC001208165616 813720572 /nfs/dbraw/zinc/72/05/72/813720572.db2.gz GMZVGAPXXAJALM-YOEHRIQHSA-N 1 3 276.424 3.109 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475380 814479395 /nfs/dbraw/zinc/47/93/95/814479395.db2.gz MPGHKXUHGFIAJL-IVMMDQJWSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475380 814479398 /nfs/dbraw/zinc/47/93/98/814479398.db2.gz MPGHKXUHGFIAJL-IVMMDQJWSA-N 1 3 278.827 3.127 20 0 CGADHO c1ccc(C[N@@H+](CC2CNC2)C2CCCCC2)cc1 ZINC001210580361 814540906 /nfs/dbraw/zinc/54/09/06/814540906.db2.gz IOUNUGLSLRDIKZ-UHFFFAOYSA-N 1 3 258.409 3.041 20 0 CGADHO c1ccc(C[N@H+](CC2CNC2)C2CCCCC2)cc1 ZINC001210580361 814540911 /nfs/dbraw/zinc/54/09/11/814540911.db2.gz IOUNUGLSLRDIKZ-UHFFFAOYSA-N 1 3 258.409 3.041 20 0 CGADHO c1ccc(CN(CC2C[NH2+]C2)C2CCCCC2)cc1 ZINC001210580361 814540913 /nfs/dbraw/zinc/54/09/13/814540913.db2.gz IOUNUGLSLRDIKZ-UHFFFAOYSA-N 1 3 258.409 3.041 20 0 CGADHO CN(C)Cc1c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)ccc2ccccc21 ZINC001218445545 816216073 /nfs/dbraw/zinc/21/60/73/816216073.db2.gz ZXIPEFVYAJBYJD-BJZITVGISA-N 1 3 296.414 3.031 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001222552328 816466629 /nfs/dbraw/zinc/46/66/29/816466629.db2.gz BKUNKZSZWDXZQR-UHFFFAOYSA-N 1 3 299.393 3.011 20 0 CGADHO Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615200 816478769 /nfs/dbraw/zinc/47/87/69/816478769.db2.gz MXEGDEYULMDEHW-XOSAIJSUSA-N 1 3 290.838 3.127 20 0 CGADHO Clc1ccc([C@H]2C[C@@H]2C[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615200 816478771 /nfs/dbraw/zinc/47/87/71/816478771.db2.gz MXEGDEYULMDEHW-XOSAIJSUSA-N 1 3 290.838 3.127 20 0 CGADHO CCc1ccccc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046271 818990266 /nfs/dbraw/zinc/99/02/66/818990266.db2.gz OQPZKICSSJMKIK-GOSISDBHSA-N 1 3 272.436 3.357 20 0 CGADHO Cc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235228584 819040489 /nfs/dbraw/zinc/04/04/89/819040489.db2.gz JFNAOEWTFNMIEQ-GOSISDBHSA-N 1 3 290.426 3.488 20 0 CGADHO c1ccc(C(C[N@@H+]2C[C@@H]3CNCC[C@@H]32)c2ccccc2)cc1 ZINC001235254461 819052218 /nfs/dbraw/zinc/05/22/18/819052218.db2.gz BSFHRGKEDYGQOM-ICSRJNTNSA-N 1 3 292.426 3.112 20 0 CGADHO c1ccc(C(C[N@H+]2C[C@@H]3CNCC[C@@H]32)c2ccccc2)cc1 ZINC001235254461 819052225 /nfs/dbraw/zinc/05/22/25/819052225.db2.gz BSFHRGKEDYGQOM-ICSRJNTNSA-N 1 3 292.426 3.112 20 0 CGADHO CCC(C)(C)c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235256996 819053248 /nfs/dbraw/zinc/05/32/48/819053248.db2.gz VWWCAKCXTGAMTG-XIRDDKMYSA-N 1 3 272.436 3.296 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410057 819089363 /nfs/dbraw/zinc/08/93/63/819089363.db2.gz XHFXEVVGXFXALY-MSOLQXFVSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235410057 819089370 /nfs/dbraw/zinc/08/93/70/819089370.db2.gz XHFXEVVGXFXALY-MSOLQXFVSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235410057 819089374 /nfs/dbraw/zinc/08/93/74/819089374.db2.gz XHFXEVVGXFXALY-MSOLQXFVSA-N 1 3 290.426 3.081 20 0 CGADHO C[NH2+]CC1CCN(Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001235678636 819138540 /nfs/dbraw/zinc/13/85/40/819138540.db2.gz NLOFBRUZMATEFI-UHFFFAOYSA-N 1 3 291.826 3.253 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1CCC[C@H]1C[NH3+] ZINC001235726262 819155609 /nfs/dbraw/zinc/15/56/09/819155609.db2.gz VDBSZKBMVDOQKT-GJZGRUSLSA-N 1 3 270.461 3.031 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235750233 819160698 /nfs/dbraw/zinc/16/06/98/819160698.db2.gz MXYWNJFCTPOUTG-HNNXBMFYSA-N 1 3 284.378 3.273 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893982 819203616 /nfs/dbraw/zinc/20/36/16/819203616.db2.gz YVIYXPJOXOAYSC-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893982 819203619 /nfs/dbraw/zinc/20/36/19/819203619.db2.gz YVIYXPJOXOAYSC-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO CC[C@@H](N)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918720 819220090 /nfs/dbraw/zinc/22/00/90/819220090.db2.gz JPTSVKLZTXRSCC-GXTWGEPZSA-N 1 3 286.341 3.232 20 0 CGADHO CC[C@@H](N)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918720 819220102 /nfs/dbraw/zinc/22/01/02/819220102.db2.gz JPTSVKLZTXRSCC-GXTWGEPZSA-N 1 3 286.341 3.232 20 0 CGADHO CN(CCCc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235952506 819242769 /nfs/dbraw/zinc/24/27/69/819242769.db2.gz YMJVCCWFUKCWRW-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CN(Cc1cccc2c(F)cccc12)C[C@H]1CCC[NH2+]C1 ZINC001235957434 819245350 /nfs/dbraw/zinc/24/53/50/819245350.db2.gz NWVHGKSUNSSPPM-AWEZNQCLSA-N 1 3 286.394 3.410 20 0 CGADHO CCc1ccc(CN(C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235960569 819248789 /nfs/dbraw/zinc/24/87/89/819248789.db2.gz SZVUHRSOHMCIJY-UHFFFAOYSA-N 1 3 280.415 3.484 20 0 CGADHO CN(C/C=C/c1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001235961949 819249099 /nfs/dbraw/zinc/24/90/99/819249099.db2.gz JUVQBACSTJPBRS-IZZDOVSWSA-N 1 3 266.388 3.291 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001236210330 819372264 /nfs/dbraw/zinc/37/22/64/819372264.db2.gz BNLABUBATIUOBB-DOTOQJQBSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001236210330 819372270 /nfs/dbraw/zinc/37/22/70/819372270.db2.gz BNLABUBATIUOBB-DOTOQJQBSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c21 ZINC001236216562 819381275 /nfs/dbraw/zinc/38/12/75/819381275.db2.gz KBVITECBZAVCBM-ZBFHGGJFSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@H]3N)c21 ZINC001236216562 819381279 /nfs/dbraw/zinc/38/12/79/819381279.db2.gz KBVITECBZAVCBM-ZBFHGGJFSA-N 1 3 271.408 3.178 20 0 CGADHO [NH3+]Cc1cccc(-c2ccc(CN3CCCCC3)c(F)c2)n1 ZINC001236233184 819394679 /nfs/dbraw/zinc/39/46/79/819394679.db2.gz QDSNHDKWXSOOCW-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO CC[NH+](CC)Cc1ccc(F)c(-c2cccc(CN)n2)c1 ZINC001236318060 819423628 /nfs/dbraw/zinc/42/36/28/819423628.db2.gz NSFPAMVELRYPRR-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CCN(Cc1cccc2c(F)cccc12)C[C@H]1CC[NH2+]C1 ZINC001236410191 819458106 /nfs/dbraw/zinc/45/81/06/819458106.db2.gz FZQUSBLWRGEPFJ-AWEZNQCLSA-N 1 3 286.394 3.410 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H](N)[C@@H]2C)cc1 ZINC001236415593 819460743 /nfs/dbraw/zinc/46/07/43/819460743.db2.gz OOUOCGKFBGWPRQ-YOEHRIQHSA-N 1 3 260.425 3.164 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H](N)[C@@H]2C)cc1 ZINC001236415593 819460747 /nfs/dbraw/zinc/46/07/47/819460747.db2.gz OOUOCGKFBGWPRQ-YOEHRIQHSA-N 1 3 260.425 3.164 20 0 CGADHO CC/C=C\CCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584754 819545920 /nfs/dbraw/zinc/54/59/20/819545920.db2.gz SGHJRVSLXWMZAY-ABCZVMIZSA-N 1 3 250.430 3.197 20 0 CGADHO CC/C=C\CCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584754 819545924 /nfs/dbraw/zinc/54/59/24/819545924.db2.gz SGHJRVSLXWMZAY-ABCZVMIZSA-N 1 3 250.430 3.197 20 0 CGADHO c1cc2cccc(CN(C[C@@H]3CCC[NH2+]C3)C3CC3)c2o1 ZINC001236601917 819550108 /nfs/dbraw/zinc/55/01/08/819550108.db2.gz QCZWSZZTCOGNHL-CQSZACIVSA-N 1 3 284.403 3.397 20 0 CGADHO Cc1ccc(-c2ccc(CN3CC[C@@](C)(C[NH3+])C3)cc2)o1 ZINC001236603626 819550712 /nfs/dbraw/zinc/55/07/12/819550712.db2.gz BDEQCTRKZQWEKV-SFHVURJKSA-N 1 3 284.403 3.426 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)CC1CNC1 ZINC001236661750 819566205 /nfs/dbraw/zinc/56/62/05/819566205.db2.gz GAVQQIANVXJXOT-SFHVURJKSA-N 1 3 274.452 3.329 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CC1CNC1 ZINC001236661750 819566208 /nfs/dbraw/zinc/56/62/08/819566208.db2.gz GAVQQIANVXJXOT-SFHVURJKSA-N 1 3 274.452 3.329 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414960 819747283 /nfs/dbraw/zinc/74/72/83/819747283.db2.gz NQFYOJCTRKZWGD-SJLPKXTDSA-N 1 3 272.436 3.131 20 0 CGADHO c1cc(N2CC[NH2+]CC2)cc(C2=CCCCCCC2)n1 ZINC001242504065 823012766 /nfs/dbraw/zinc/01/27/66/823012766.db2.gz DGRZHZUXCZTYGP-UHFFFAOYSA-N 1 3 271.408 3.229 20 0 CGADHO C[NH+]1CCC2(CCCN2CCc2ccc(F)cc2F)CC1 ZINC001338878993 936337340 /nfs/dbraw/zinc/33/73/40/936337340.db2.gz GNYPIURKARNSQQ-UHFFFAOYSA-N 1 3 294.389 3.068 20 0 CGADHO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCNC1 ZINC001339934649 936392085 /nfs/dbraw/zinc/39/20/85/936392085.db2.gz VHSJJNDAJBAEOA-WBVHZDCISA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCCNC1 ZINC001339934649 936392088 /nfs/dbraw/zinc/39/20/88/936392088.db2.gz VHSJJNDAJBAEOA-WBVHZDCISA-N 1 3 272.436 3.254 20 0 CGADHO COc1ccc(C[C@H](C)N(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001341476379 936439435 /nfs/dbraw/zinc/43/94/35/936439435.db2.gz RJEBSORIMSSDSY-DOTOQJQBSA-N 1 3 290.451 3.042 20 0 CGADHO COc1ccc(C[C@H](C)N(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001341476379 936439438 /nfs/dbraw/zinc/43/94/38/936439438.db2.gz RJEBSORIMSSDSY-DOTOQJQBSA-N 1 3 290.451 3.042 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC001345482976 936812028 /nfs/dbraw/zinc/81/20/28/936812028.db2.gz PQJSJUAOPORWRB-WMLDXEAASA-N 1 3 260.425 3.424 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H]1C[C@H](c2ccccc2)C1(C)C ZINC001348851652 936936840 /nfs/dbraw/zinc/93/68/40/936936840.db2.gz FJWZFSMLDMBWMQ-BMFZPTHFSA-N 1 3 260.425 3.156 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001350955736 937004558 /nfs/dbraw/zinc/00/45/58/937004558.db2.gz JSEDBCAZCJNCDD-FXUDXRNXSA-N 1 3 268.420 3.025 20 0 CGADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC2(CCCCC2)CC1 ZINC001473384696 937198255 /nfs/dbraw/zinc/19/82/55/937198255.db2.gz VURLOFJVDTYAFL-QGZVFWFLSA-N 1 3 296.499 3.124 20 0 CGADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCC2(CCCCC2)CC1 ZINC001473384696 937198256 /nfs/dbraw/zinc/19/82/56/937198256.db2.gz VURLOFJVDTYAFL-QGZVFWFLSA-N 1 3 296.499 3.124 20 0 CGADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC2(CCCCC2)CC1 ZINC001473384691 937198601 /nfs/dbraw/zinc/19/86/01/937198601.db2.gz VURLOFJVDTYAFL-KRWDZBQOSA-N 1 3 296.499 3.124 20 0 CGADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC2(CCCCC2)CC1 ZINC001473384691 937198604 /nfs/dbraw/zinc/19/86/04/937198604.db2.gz VURLOFJVDTYAFL-KRWDZBQOSA-N 1 3 296.499 3.124 20 0 CGADHO CC1(C)CCC[N@@H+]1CCNCCc1ccc(Cl)cc1 ZINC001474575474 937206660 /nfs/dbraw/zinc/20/66/60/937206660.db2.gz JZTJQVKMYGAMGA-UHFFFAOYSA-N 1 3 280.843 3.347 20 0 CGADHO CC1(C)CCC[N@H+]1CCNCCc1ccc(Cl)cc1 ZINC001474575474 937206663 /nfs/dbraw/zinc/20/66/63/937206663.db2.gz JZTJQVKMYGAMGA-UHFFFAOYSA-N 1 3 280.843 3.347 20 0 CGADHO CCc1ccccc1CN[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001275439441 928523583 /nfs/dbraw/zinc/52/35/83/928523583.db2.gz ZRHZNOSZQJDNEJ-MSOLQXFVSA-N 1 3 272.436 3.403 20 0 CGADHO C[C@@H](C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1)C(C)(C)C ZINC001460710912 937541228 /nfs/dbraw/zinc/54/12/28/937541228.db2.gz QJWXKIOORBNAJA-LSDHHAIUSA-N 1 3 275.440 3.274 20 0 CGADHO C[C@@H](C[N@H+]1CCN(c2ccncc2)[C@H](C)C1)C(C)(C)C ZINC001460710912 937541229 /nfs/dbraw/zinc/54/12/29/937541229.db2.gz QJWXKIOORBNAJA-LSDHHAIUSA-N 1 3 275.440 3.274 20 0 CGADHO CCC[C@H](C)CCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC001307515316 932964738 /nfs/dbraw/zinc/96/47/38/932964738.db2.gz ZYOLMFZIFQIDPI-JKSUJKDBSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@H](C)CCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC001307515316 932964744 /nfs/dbraw/zinc/96/47/44/932964744.db2.gz ZYOLMFZIFQIDPI-JKSUJKDBSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@H](C)CCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC001307515316 932964750 /nfs/dbraw/zinc/96/47/50/932964750.db2.gz ZYOLMFZIFQIDPI-JKSUJKDBSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@H](C)CCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC001307515316 932964755 /nfs/dbraw/zinc/96/47/55/932964755.db2.gz ZYOLMFZIFQIDPI-JKSUJKDBSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CCN1c1ccncc1 ZINC001308041407 933039160 /nfs/dbraw/zinc/03/91/60/933039160.db2.gz SRTOQTDGMPSSKK-OAHLLOKOSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CCN1c1ccncc1 ZINC001308041407 933039163 /nfs/dbraw/zinc/03/91/63/933039163.db2.gz SRTOQTDGMPSSKK-OAHLLOKOSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001462673641 937659112 /nfs/dbraw/zinc/65/91/12/937659112.db2.gz XULMIXQNDNLSES-JKJDWNRSSA-N 1 3 264.457 3.131 20 0 CGADHO Cc1cc(CNC[C@@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001474734986 933828351 /nfs/dbraw/zinc/82/83/51/933828351.db2.gz IITNHFRIESIUOY-OAHLLOKOSA-N 1 3 278.827 3.080 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[NH+](C(C)(C)C)CC1 ZINC001322556848 934313844 /nfs/dbraw/zinc/31/38/44/934313844.db2.gz HHSQFVJCMFHPQO-UHFFFAOYSA-N 1 3 283.419 3.464 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407008 934497928 /nfs/dbraw/zinc/49/79/28/934497928.db2.gz HQKNXLIPVPFJIQ-HOCLYGCPSA-N 1 3 292.471 3.155 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454708 934506474 /nfs/dbraw/zinc/50/64/74/934506474.db2.gz GJBASNUSIJVFPX-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454708 934506484 /nfs/dbraw/zinc/50/64/84/934506484.db2.gz GJBASNUSIJVFPX-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454708 934506493 /nfs/dbraw/zinc/50/64/93/934506493.db2.gz GJBASNUSIJVFPX-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454708 934506497 /nfs/dbraw/zinc/50/64/97/934506497.db2.gz GJBASNUSIJVFPX-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC001326036621 934945707 /nfs/dbraw/zinc/94/57/07/934945707.db2.gz RTOCUBWBOUXAOM-JLJPHGGASA-N 1 3 276.424 3.253 20 0 CGADHO CC[NH+](CC)C1CCN(C[C@H](C)C(C)(C)C)CC1 ZINC001327189969 935039138 /nfs/dbraw/zinc/03/91/38/935039138.db2.gz YQCUWEAXRMXADS-AWEZNQCLSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)C1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC001327189969 935039144 /nfs/dbraw/zinc/03/91/44/935039144.db2.gz YQCUWEAXRMXADS-AWEZNQCLSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC001332361597 935462241 /nfs/dbraw/zinc/46/22/41/935462241.db2.gz PLCBCWROPBZRLC-HNNXBMFYSA-N 1 3 290.451 3.051 20 0 CGADHO Cc1occc1C[N@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC001474647325 937872621 /nfs/dbraw/zinc/87/26/21/937872621.db2.gz NEDGNFOJQQITRR-XJKSGUPXSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1occc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC001474647325 937872623 /nfs/dbraw/zinc/87/26/23/937872623.db2.gz NEDGNFOJQQITRR-XJKSGUPXSA-N 1 3 264.413 3.140 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001474759803 937879367 /nfs/dbraw/zinc/87/93/67/937879367.db2.gz VRBVTAGTJWXUQC-HZPDHXFCSA-N 1 3 290.451 3.263 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@H](c2ccncc2)C2CCC2)C1 ZINC001550696903 938170073 /nfs/dbraw/zinc/17/00/73/938170073.db2.gz ZKCOJTIUQONIRZ-SJORKVTESA-N 1 3 287.451 3.291 20 0 CGADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCC1 ZINC001551238570 938178443 /nfs/dbraw/zinc/17/84/43/938178443.db2.gz ZNHMIGCJEGIOJG-LXPRWKDFSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H]1C[C@H]1C ZINC001551403759 938181826 /nfs/dbraw/zinc/18/18/26/938181826.db2.gz YRZBDIWHICCSDY-XGELKXPVSA-N 1 3 294.483 3.044 20 0 CGADHO C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC001553026503 938195995 /nfs/dbraw/zinc/19/59/95/938195995.db2.gz OHZKHZQEROBAAZ-YESZJQIVSA-N 1 3 276.468 3.467 20 0 CGADHO OC1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCCC1 ZINC001559550783 938229128 /nfs/dbraw/zinc/22/91/28/938229128.db2.gz RJJFPXFHSUBZCN-QGZVFWFLSA-N 1 3 294.483 3.022 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCN1CCCCC1 ZINC001560251803 938249442 /nfs/dbraw/zinc/24/94/42/938249442.db2.gz BCPJRXQJQDQMGP-DLBZAZTESA-N 1 3 264.457 3.444 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C4CCC4)cc3)[C@H]2C1 ZINC001560623153 938266327 /nfs/dbraw/zinc/26/63/27/938266327.db2.gz QPJCOFPQUGDTNJ-GBESFXJTSA-N 1 3 284.447 3.384 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC001560681220 938269628 /nfs/dbraw/zinc/26/96/28/938269628.db2.gz WNNNCXJIEHHTHW-UHFFFAOYSA-N 1 3 299.462 3.485 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC001560681220 938269629 /nfs/dbraw/zinc/26/96/29/938269629.db2.gz WNNNCXJIEHHTHW-UHFFFAOYSA-N 1 3 299.462 3.485 20 0 CGADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001257208513 960425956 /nfs/dbraw/zinc/42/59/56/960425956.db2.gz KKHZEDBVXIFINR-IAGOWNOFSA-N 1 3 276.399 3.144 20 0 CGADHO COc1ccc(C(C)(C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC001257207760 960426339 /nfs/dbraw/zinc/42/63/39/960426339.db2.gz HGDPSPYNTKKCTH-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO CC(C)(CN)C[NH2+]CCc1cc2ccccc2s1 ZINC001575315157 962361017 /nfs/dbraw/zinc/36/10/17/962361017.db2.gz KFLVTSULSCTNRX-UHFFFAOYSA-N 1 3 262.422 3.018 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001575423772 962374268 /nfs/dbraw/zinc/37/42/68/962374268.db2.gz XQZIDVMKXDDTQJ-QZTJIDSGSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001575423772 962374284 /nfs/dbraw/zinc/37/42/84/962374284.db2.gz XQZIDVMKXDDTQJ-QZTJIDSGSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC001575422842 962378490 /nfs/dbraw/zinc/37/84/90/962378490.db2.gz NLEHCTCUYVSXAZ-HNNXBMFYSA-N 1 3 296.405 3.375 20 0 CGADHO CC(C)[C@@H](CN)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC001575422842 962378507 /nfs/dbraw/zinc/37/85/07/962378507.db2.gz NLEHCTCUYVSXAZ-HNNXBMFYSA-N 1 3 296.405 3.375 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001576309720 962452673 /nfs/dbraw/zinc/45/26/73/962452673.db2.gz COKKCWFZHKUVNM-HYVNUMGLSA-N 1 3 258.409 3.199 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001576309720 962452679 /nfs/dbraw/zinc/45/26/79/962452679.db2.gz COKKCWFZHKUVNM-HYVNUMGLSA-N 1 3 258.409 3.199 20 0 CGADHO CC1(C)CCCC[C@H]1C[N@@H+]1CCCC[C@H]1CCN ZINC001576435227 962455613 /nfs/dbraw/zinc/45/56/13/962455613.db2.gz SQYCHPNWEIONHF-GJZGRUSLSA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@H]1CCN ZINC001576435227 962455618 /nfs/dbraw/zinc/45/56/18/962455618.db2.gz SQYCHPNWEIONHF-GJZGRUSLSA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CNC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001576477376 962465045 /nfs/dbraw/zinc/46/50/45/962465045.db2.gz SVWUDHMDMCJAJT-CQSZACIVSA-N 1 3 250.430 3.077 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556838 962468803 /nfs/dbraw/zinc/46/88/03/962468803.db2.gz UFABNNOGJDHFMS-NXOAAHMSSA-N 1 3 262.441 3.040 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556838 962468811 /nfs/dbraw/zinc/46/88/11/962468811.db2.gz UFABNNOGJDHFMS-NXOAAHMSSA-N 1 3 262.441 3.040 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001576850871 962488869 /nfs/dbraw/zinc/48/88/69/962488869.db2.gz WXPXEMUAMYALBW-DZJNRPSUSA-N 1 3 272.436 3.300 20 0 CGADHO CCC(CC)(C[NH3+])CN1C[C@@H](C)OC2(CCCCC2)C1 ZINC001577051560 962510958 /nfs/dbraw/zinc/51/09/58/962510958.db2.gz VMXHMWLMUQTSQQ-OAHLLOKOSA-N 1 3 282.472 3.175 20 0 CGADHO CCC[C@@H](C)CCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001577340982 962527527 /nfs/dbraw/zinc/52/75/27/962527527.db2.gz OBBBFPPJXZLKNI-HZPDHXFCSA-N 1 3 252.446 3.278 20 0 CGADHO CCC[N@H+](CCc1cccs1)C[C@H](CN)C(C)C ZINC001577523921 962557846 /nfs/dbraw/zinc/55/78/46/962557846.db2.gz MPAVXOZTKJRDSA-AWEZNQCLSA-N 1 3 268.470 3.234 20 0 CGADHO CCC[N@@H+](CCc1cccs1)C[C@H](CN)C(C)C ZINC001577523921 962557855 /nfs/dbraw/zinc/55/78/55/962557855.db2.gz MPAVXOZTKJRDSA-AWEZNQCLSA-N 1 3 268.470 3.234 20 0 CGADHO C[N@H+](Cc1cc(C(C)(C)N)no1)C1CCCCCC1 ZINC001578485535 962595410 /nfs/dbraw/zinc/59/54/10/962595410.db2.gz HPVSERUXZKHIRM-UHFFFAOYSA-N 1 3 265.401 3.023 20 0 CGADHO C[N@@H+](Cc1cc(C(C)(C)N)no1)C1CCCCCC1 ZINC001578485535 962595432 /nfs/dbraw/zinc/59/54/32/962595432.db2.gz HPVSERUXZKHIRM-UHFFFAOYSA-N 1 3 265.401 3.023 20 0 CGADHO Cc1cc(CN2CCC3(CCC[C@@H]3C[NH3+])CC2)cc(C)n1 ZINC001579598341 962639378 /nfs/dbraw/zinc/63/93/78/962639378.db2.gz QEVVHLIIDCIALU-QGZVFWFLSA-N 1 3 287.451 3.039 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H](CN)C(C)C)cc1 ZINC001579684509 962651773 /nfs/dbraw/zinc/65/17/73/962651773.db2.gz HIFJTWASXBNHNN-ZWKOTPCHSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H](CN)C(C)C)cc1 ZINC001579684509 962651781 /nfs/dbraw/zinc/65/17/81/962651781.db2.gz HIFJTWASXBNHNN-ZWKOTPCHSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(CN(CC2(C[NH3+])CCC2)C2CC2)cc1C ZINC001579690807 962652407 /nfs/dbraw/zinc/65/24/07/962652407.db2.gz CDZVKTFVRLFUOJ-UHFFFAOYSA-N 1 3 272.436 3.397 20 0 CGADHO Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC001579697089 962658355 /nfs/dbraw/zinc/65/83/55/962658355.db2.gz WJWOMTDRTYQJSF-UKRRQHHQSA-N 1 3 266.816 3.256 20 0 CGADHO Cc1oc2ccccc2c1CNC[C@@H](C[NH3+])C(C)C ZINC001579927961 962682052 /nfs/dbraw/zinc/68/20/52/962682052.db2.gz BNYOYYVWSBMPRF-CYBMUJFWSA-N 1 3 260.381 3.062 20 0 CGADHO NC1CC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001580166047 962698920 /nfs/dbraw/zinc/69/89/20/962698920.db2.gz VZBQXIKVIFSDIA-CMAYJEJSSA-N 1 3 264.800 3.055 20 0 CGADHO [NH3+]C1CC(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001580166047 962698932 /nfs/dbraw/zinc/69/89/32/962698932.db2.gz VZBQXIKVIFSDIA-CMAYJEJSSA-N 1 3 264.800 3.055 20 0 CGADHO CCCc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000621335483 349499263 /nfs/dbraw/zinc/49/92/63/349499263.db2.gz NVQKOUOGVMXNAK-ZDUSSCGKSA-N 1 3 266.454 3.132 20 0 CGADHO CCCc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000621335483 349499266 /nfs/dbraw/zinc/49/92/66/349499266.db2.gz NVQKOUOGVMXNAK-ZDUSSCGKSA-N 1 3 266.454 3.132 20 0 CGADHO C[NH+]1CCC(CN[C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705776 398272087 /nfs/dbraw/zinc/27/20/87/398272087.db2.gz FWKBJZKTEGHCGL-CQSZACIVSA-N 1 3 296.817 3.398 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337995624 214351514 /nfs/dbraw/zinc/35/15/14/214351514.db2.gz IYRZHXVRTGVHOT-GJZGRUSLSA-N 1 3 258.425 3.225 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909971 398304922 /nfs/dbraw/zinc/30/49/22/398304922.db2.gz BYBSJNMZDJEUGQ-INIZCTEOSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909971 398304924 /nfs/dbraw/zinc/30/49/24/398304924.db2.gz BYBSJNMZDJEUGQ-INIZCTEOSA-N 1 3 296.499 3.436 20 0 CGADHO CCN(CCC[NH2+][C@@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909971 398304926 /nfs/dbraw/zinc/30/49/26/398304926.db2.gz BYBSJNMZDJEUGQ-INIZCTEOSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@H+](CCCN[C@H](C)[C@@H]1CCCOC1)C1CCCCC1 ZINC000651910576 398305452 /nfs/dbraw/zinc/30/54/52/398305452.db2.gz ZNQXOFAWDLULFD-IAGOWNOFSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)[C@@H]1CCCOC1)C1CCCCC1 ZINC000651910576 398305456 /nfs/dbraw/zinc/30/54/56/398305456.db2.gz ZNQXOFAWDLULFD-IAGOWNOFSA-N 1 3 296.499 3.436 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000125525127 187189477 /nfs/dbraw/zinc/18/94/77/187189477.db2.gz WSBZPFIZWNNPOA-QGZVFWFLSA-N 1 3 295.430 3.132 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000125525127 187189478 /nfs/dbraw/zinc/18/94/78/187189478.db2.gz WSBZPFIZWNNPOA-QGZVFWFLSA-N 1 3 295.430 3.132 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449171429 529446898 /nfs/dbraw/zinc/44/68/98/529446898.db2.gz AELBPYVBSYEJKH-SJLPKXTDSA-N 1 3 294.483 3.331 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125691739 187196757 /nfs/dbraw/zinc/19/67/57/187196757.db2.gz PPJLZHNGBOLENX-ZACQAIPSSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125691739 187196758 /nfs/dbraw/zinc/19/67/58/187196758.db2.gz PPJLZHNGBOLENX-ZACQAIPSSA-N 1 3 290.451 3.082 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337991721 282194755 /nfs/dbraw/zinc/19/47/55/282194755.db2.gz WQVCONPYVWVFEL-FZKCQIBNSA-N 1 3 250.430 3.028 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1(C)C ZINC000623339803 349782914 /nfs/dbraw/zinc/78/29/14/349782914.db2.gz KWXSPNFQEBSMTK-ZDUSSCGKSA-N 1 3 298.377 3.250 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000126194882 187223274 /nfs/dbraw/zinc/22/32/74/187223274.db2.gz XFCZSWLVXVTKRB-NBOOPKSLSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126194882 187223275 /nfs/dbraw/zinc/22/32/75/187223275.db2.gz XFCZSWLVXVTKRB-NBOOPKSLSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381959 349794665 /nfs/dbraw/zinc/79/46/65/349794665.db2.gz QEHBVBCLJTXWNC-WBVHZDCISA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381959 349794669 /nfs/dbraw/zinc/79/46/69/349794669.db2.gz QEHBVBCLJTXWNC-WBVHZDCISA-N 1 3 272.436 3.445 20 0 CGADHO C[NH+](C)CCCCNCc1csc(C(F)(F)F)c1 ZINC000623383227 349795365 /nfs/dbraw/zinc/79/53/65/349795365.db2.gz JTVMEQBMIDOSCF-UHFFFAOYSA-N 1 3 280.359 3.198 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623396486 349797786 /nfs/dbraw/zinc/79/77/86/349797786.db2.gz UGGGPDIECXYQIL-CYBMUJFWSA-N 1 3 295.496 3.271 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623396486 349797791 /nfs/dbraw/zinc/79/77/91/349797791.db2.gz UGGGPDIECXYQIL-CYBMUJFWSA-N 1 3 295.496 3.271 20 0 CGADHO CCc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000414182469 529706520 /nfs/dbraw/zinc/70/65/20/529706520.db2.gz NHIFKHVPXFXGMQ-ZIAGYGMSSA-N 1 3 264.413 3.225 20 0 CGADHO CCc1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000414182469 529706522 /nfs/dbraw/zinc/70/65/22/529706522.db2.gz NHIFKHVPXFXGMQ-ZIAGYGMSSA-N 1 3 264.413 3.225 20 0 CGADHO Cc1cccc(O[C@@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432499 349807729 /nfs/dbraw/zinc/80/77/29/349807729.db2.gz VASNTQRLUVMSQL-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(O[C@@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432499 349807732 /nfs/dbraw/zinc/80/77/32/349807732.db2.gz VASNTQRLUVMSQL-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO C[C@H](F)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000351751874 136381216 /nfs/dbraw/zinc/38/12/16/136381216.db2.gz DOWVBRQLHLUCHS-HNNXBMFYSA-N 1 3 293.430 3.368 20 0 CGADHO C[C@H](F)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000351751874 136381217 /nfs/dbraw/zinc/38/12/17/136381217.db2.gz DOWVBRQLHLUCHS-HNNXBMFYSA-N 1 3 293.430 3.368 20 0 CGADHO C[N@@H+]1CC[C@@H](NCC(C)(C)C(F)(F)F)CC1(C)C ZINC000623515995 349824917 /nfs/dbraw/zinc/82/49/17/349824917.db2.gz ZCDPMQKMDLSFBR-SNVBAGLBSA-N 1 3 266.351 3.037 20 0 CGADHO C[N@H+]1CC[C@@H](NCC(C)(C)C(F)(F)F)CC1(C)C ZINC000623515995 349824919 /nfs/dbraw/zinc/82/49/19/349824919.db2.gz ZCDPMQKMDLSFBR-SNVBAGLBSA-N 1 3 266.351 3.037 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327858 529800339 /nfs/dbraw/zinc/80/03/39/529800339.db2.gz DCVVLVLVUQDVBX-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327858 529800340 /nfs/dbraw/zinc/80/03/40/529800340.db2.gz DCVVLVLVUQDVBX-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000128073596 187348789 /nfs/dbraw/zinc/34/87/89/187348789.db2.gz GIKZXOMBMQNCIX-UONOGXRCSA-N 1 3 278.465 3.242 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000128073596 187348790 /nfs/dbraw/zinc/34/87/90/187348790.db2.gz GIKZXOMBMQNCIX-UONOGXRCSA-N 1 3 278.465 3.242 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000623657581 349859179 /nfs/dbraw/zinc/85/91/79/349859179.db2.gz VAPDRHHLFXFQRE-INIZCTEOSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623657396 349859630 /nfs/dbraw/zinc/85/96/30/349859630.db2.gz PTFFLYYSWYNQKA-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656731 349858105 /nfs/dbraw/zinc/85/81/05/349858105.db2.gz AMICCMVNKOMOMQ-PMPSAXMXSA-N 1 3 252.446 3.134 20 0 CGADHO CN(CCCCOC(C)(C)C)CC[C@H]1CCCC[N@@H+]1C ZINC000354860284 529884847 /nfs/dbraw/zinc/88/48/47/529884847.db2.gz LPEYCZTTWWTHLM-MRXNPFEDSA-N 1 3 284.488 3.388 20 0 CGADHO CN(CCCCOC(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC000354860284 529884848 /nfs/dbraw/zinc/88/48/48/529884848.db2.gz LPEYCZTTWWTHLM-MRXNPFEDSA-N 1 3 284.488 3.388 20 0 CGADHO C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CCCCO1 ZINC000623855680 349897308 /nfs/dbraw/zinc/89/73/08/349897308.db2.gz FQYLFOWJZRKZQX-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCCCO1 ZINC000623855680 349897310 /nfs/dbraw/zinc/89/73/10/349897310.db2.gz FQYLFOWJZRKZQX-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423269561 529999895 /nfs/dbraw/zinc/99/98/95/529999895.db2.gz HFBFEDXGASZIOV-RWMBFGLXSA-N 1 3 268.832 3.277 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423269561 529999896 /nfs/dbraw/zinc/99/98/96/529999896.db2.gz HFBFEDXGASZIOV-RWMBFGLXSA-N 1 3 268.832 3.277 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCOc2ccc(Cl)cc2)C1 ZINC000070174730 345388928 /nfs/dbraw/zinc/38/89/28/345388928.db2.gz GUOLWVWSJSHCIB-KGLIPLIRSA-N 1 3 296.842 3.168 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000147884533 232201781 /nfs/dbraw/zinc/20/17/81/232201781.db2.gz CNEOCOJWHVMMIL-ZLKJLUDKSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156165854 232226914 /nfs/dbraw/zinc/22/69/14/232226914.db2.gz PMPWWEDNFZUPIF-LALPHHSUSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156165854 232226916 /nfs/dbraw/zinc/22/69/16/232226916.db2.gz PMPWWEDNFZUPIF-LALPHHSUSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108278735 345936813 /nfs/dbraw/zinc/93/68/13/345936813.db2.gz MTBALKKTGWXVFA-FSPWUOQZSA-N 1 3 266.388 3.052 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000174310390 346240627 /nfs/dbraw/zinc/24/06/27/346240627.db2.gz SVZBXZAYFAVWIH-FHLIZLRMSA-N 1 3 272.436 3.384 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000174310390 346240628 /nfs/dbraw/zinc/24/06/28/346240628.db2.gz SVZBXZAYFAVWIH-FHLIZLRMSA-N 1 3 272.436 3.384 20 0 CGADHO CCc1ccc(CNCc2ccc(C[NH3+])cc2)s1 ZINC000225366869 346304140 /nfs/dbraw/zinc/30/41/40/346304140.db2.gz VKQJDHYGVSWIOX-UHFFFAOYSA-N 1 3 260.406 3.059 20 0 CGADHO Cc1occc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000414288332 282467564 /nfs/dbraw/zinc/46/75/64/282467564.db2.gz PSGXBVYATAIKIB-HUUCEWRRSA-N 1 3 278.440 3.436 20 0 CGADHO CC[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248376174 346375578 /nfs/dbraw/zinc/37/55/78/346375578.db2.gz ZVEIFZHGXYEMEN-XHSDSOJGSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248376174 346375579 /nfs/dbraw/zinc/37/55/79/346375579.db2.gz ZVEIFZHGXYEMEN-XHSDSOJGSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000248376174 346375582 /nfs/dbraw/zinc/37/55/82/346375582.db2.gz ZVEIFZHGXYEMEN-XHSDSOJGSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000248376174 346375584 /nfs/dbraw/zinc/37/55/84/346375584.db2.gz ZVEIFZHGXYEMEN-XHSDSOJGSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251510444 346388943 /nfs/dbraw/zinc/38/89/43/346388943.db2.gz IFXHWACCFBICPY-KBMXLJTQSA-N 1 3 266.388 3.052 20 0 CGADHO C[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000255842232 346398282 /nfs/dbraw/zinc/39/82/82/346398282.db2.gz HCMARDYPQODIDQ-JGPFYOFESA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000255842232 346398286 /nfs/dbraw/zinc/39/82/86/346398286.db2.gz HCMARDYPQODIDQ-JGPFYOFESA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000311466002 346474136 /nfs/dbraw/zinc/47/41/36/346474136.db2.gz XDCYMLZKKZPPML-CPUCHLNUSA-N 1 3 258.409 3.166 20 0 CGADHO C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466002 346474138 /nfs/dbraw/zinc/47/41/38/346474138.db2.gz XDCYMLZKKZPPML-CPUCHLNUSA-N 1 3 258.409 3.166 20 0 CGADHO CC(C)[C@@H](C[NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000389031286 346571914 /nfs/dbraw/zinc/57/19/14/346571914.db2.gz DDDSRRPCASDDAI-NVXWUHKLSA-N 1 3 262.441 3.214 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(OC(F)F)cc1 ZINC000584714653 346709743 /nfs/dbraw/zinc/70/97/43/346709743.db2.gz WOEBMMLPTLFVIJ-HUUCEWRRSA-N 1 3 298.377 3.080 20 0 CGADHO Cc1ccc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000584775074 346713533 /nfs/dbraw/zinc/71/35/33/346713533.db2.gz ZEYZITPBNQGTFT-ZFWWWQNUSA-N 1 3 264.413 3.031 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000624119646 349975542 /nfs/dbraw/zinc/97/55/42/349975542.db2.gz GPYLKNAGVGEABR-HIFRSBDPSA-N 1 3 278.465 3.447 20 0 CGADHO C[C@H](CSCCF)NCCC[N@H+](C)C1CCCCC1 ZINC000595005340 347254454 /nfs/dbraw/zinc/25/44/54/347254454.db2.gz XHLQMVQAAPDDIL-CQSZACIVSA-N 1 3 290.492 3.322 20 0 CGADHO C[C@H](CSCCF)NCCC[N@@H+](C)C1CCCCC1 ZINC000595005340 347254456 /nfs/dbraw/zinc/25/44/56/347254456.db2.gz XHLQMVQAAPDDIL-CQSZACIVSA-N 1 3 290.492 3.322 20 0 CGADHO C[C@@H](CSCCF)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595008185 347255023 /nfs/dbraw/zinc/25/50/23/347255023.db2.gz BQZZJWYASAGWLE-ZNMIVQPWSA-N 1 3 290.492 3.035 20 0 CGADHO C[C@@H](CSCCF)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595008185 347255026 /nfs/dbraw/zinc/25/50/26/347255026.db2.gz BQZZJWYASAGWLE-ZNMIVQPWSA-N 1 3 290.492 3.035 20 0 CGADHO C[C@@H](CSCCF)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000595008185 347255027 /nfs/dbraw/zinc/25/50/27/347255027.db2.gz BQZZJWYASAGWLE-ZNMIVQPWSA-N 1 3 290.492 3.035 20 0 CGADHO CCSC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000596652345 347498584 /nfs/dbraw/zinc/49/85/84/347498584.db2.gz PTKCPPUAKHNKBE-KGLIPLIRSA-N 1 3 270.486 3.173 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000351861613 219228856 /nfs/dbraw/zinc/22/88/56/219228856.db2.gz LBRKDRQXLRHQEZ-OLZOCXBDSA-N 1 3 298.883 3.491 20 0 CGADHO CC[NH+](CC)CC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000600633849 347821034 /nfs/dbraw/zinc/82/10/34/347821034.db2.gz WCGQKZQBQJJCAJ-HNNXBMFYSA-N 1 3 275.440 3.196 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000624120511 349976472 /nfs/dbraw/zinc/97/64/72/349976472.db2.gz ARZFANWWCQXBEE-INIZCTEOSA-N 1 3 294.483 3.047 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1F ZINC000624120371 349977526 /nfs/dbraw/zinc/97/75/26/349977526.db2.gz XLPKKJUBNZFCKA-UONOGXRCSA-N 1 3 294.414 3.217 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121909 349979640 /nfs/dbraw/zinc/97/96/40/349979640.db2.gz FWJXLVDGQHGPTM-GDBMZVCRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@@H]1C ZINC000624121777 349979847 /nfs/dbraw/zinc/97/98/47/349979847.db2.gz CVIGWKKHVBMFBH-WCVJEAGWSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120700 349978301 /nfs/dbraw/zinc/97/83/01/349978301.db2.gz FIYFIXCUQHBGJA-WBVHZDCISA-N 1 3 292.442 3.468 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000624123143 349981178 /nfs/dbraw/zinc/98/11/78/349981178.db2.gz GNHOMJQOENPFAN-CVEARBPZSA-N 1 3 264.457 3.421 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000624122986 349981433 /nfs/dbraw/zinc/98/14/33/349981433.db2.gz CHXXXSFOYBPITN-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@H]1C ZINC000624121776 349980431 /nfs/dbraw/zinc/98/04/31/349980431.db2.gz CVIGWKKHVBMFBH-UGUYLWEFSA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000624123043 349981742 /nfs/dbraw/zinc/98/17/42/349981742.db2.gz DQGISFVEDMBVSG-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO CN(C)CC[C@@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)(C)C ZINC000604770665 348132761 /nfs/dbraw/zinc/13/27/61/348132761.db2.gz ARHYJJPQLYCENM-MRXNPFEDSA-N 1 3 288.439 3.019 20 0 CGADHO C[NH+](C)CC[C@@H](NCc1[nH]nc2ccccc21)C(C)(C)C ZINC000604770665 348132762 /nfs/dbraw/zinc/13/27/62/348132762.db2.gz ARHYJJPQLYCENM-MRXNPFEDSA-N 1 3 288.439 3.019 20 0 CGADHO CC(CN(C)C1CCCC1)C[N@H+](C)C1CCCC1 ZINC000605572018 348162599 /nfs/dbraw/zinc/16/25/99/348162599.db2.gz GCIPPZSFIJDLMF-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(CN(C)C1CCCC1)C[N@@H+](C)C1CCCC1 ZINC000605572018 348162602 /nfs/dbraw/zinc/16/26/02/348162602.db2.gz GCIPPZSFIJDLMF-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)CCCCOc1ccccc1 ZINC000339409412 215153326 /nfs/dbraw/zinc/15/33/26/215153326.db2.gz MEZBKYGNQFXNDX-QGZVFWFLSA-N 1 3 278.440 3.151 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339440690 215172070 /nfs/dbraw/zinc/17/20/70/215172070.db2.gz YZRUSNSMKLWOAG-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339440690 215172072 /nfs/dbraw/zinc/17/20/72/215172072.db2.gz YZRUSNSMKLWOAG-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000624309344 350023278 /nfs/dbraw/zinc/02/32/78/350023278.db2.gz KGIDDWBZFVRXNK-ONIAQPFYSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280700 191046769 /nfs/dbraw/zinc/04/67/69/191046769.db2.gz MAJNCBKOLJKADK-NVXWUHKLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280700 191046771 /nfs/dbraw/zinc/04/67/71/191046771.db2.gz MAJNCBKOLJKADK-NVXWUHKLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280700 191046774 /nfs/dbraw/zinc/04/67/74/191046774.db2.gz MAJNCBKOLJKADK-NVXWUHKLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000271280700 191046777 /nfs/dbraw/zinc/04/67/77/191046777.db2.gz MAJNCBKOLJKADK-NVXWUHKLSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@]1(C[NH+]2CCC(N3CCCCC3)CC2)CCCS1 ZINC000628129594 350404632 /nfs/dbraw/zinc/40/46/32/350404632.db2.gz KQIBWCACNYUBHP-MRXNPFEDSA-N 1 3 282.497 3.222 20 0 CGADHO CN(C)Cc1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c(F)c1 ZINC000628310605 350492582 /nfs/dbraw/zinc/49/25/82/350492582.db2.gz RPMVKDOUVMEXAV-AWEZNQCLSA-N 1 3 293.430 3.172 20 0 CGADHO CN(C)Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c(F)c1 ZINC000628310605 350492583 /nfs/dbraw/zinc/49/25/83/350492583.db2.gz RPMVKDOUVMEXAV-AWEZNQCLSA-N 1 3 293.430 3.172 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000629531659 350703725 /nfs/dbraw/zinc/70/37/25/350703725.db2.gz SVKHRVBOEMZRJI-BRSBDYLESA-N 1 3 296.499 3.467 20 0 CGADHO Cc1ccc(C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537025 350705621 /nfs/dbraw/zinc/70/56/21/350705621.db2.gz INGGPMSTIGSESZ-JLSDUUJJSA-N 1 3 272.436 3.046 20 0 CGADHO CC1(C)[C@@H](c2ccc(F)cc2)CCN1C[C@@H]1CC[NH2+]C1 ZINC000629575279 350714139 /nfs/dbraw/zinc/71/41/39/350714139.db2.gz NNRKSXCUKFKTDD-CZUORRHYSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCc2ncccc21)CN1CCCCC1 ZINC000631570086 351070409 /nfs/dbraw/zinc/07/04/09/351070409.db2.gz PUMJITFIKWADJI-YJBOKZPZSA-N 1 3 287.451 3.171 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC000631571810 351071808 /nfs/dbraw/zinc/07/18/08/351071808.db2.gz IRTOJQDORZVROS-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCOC(C)(C)C1 ZINC000634679449 351565147 /nfs/dbraw/zinc/56/51/47/351565147.db2.gz VQAQNEFMFCNNKA-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634679449 351565149 /nfs/dbraw/zinc/56/51/49/351565149.db2.gz VQAQNEFMFCNNKA-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000634683535 351569752 /nfs/dbraw/zinc/56/97/52/351569752.db2.gz SVFNHCGPWFQMRU-XHSDSOJGSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005053 351622698 /nfs/dbraw/zinc/62/26/98/351622698.db2.gz GXAXPWMVKIUCOB-RDJZCZTQSA-N 1 3 286.419 3.150 20 0 CGADHO C[C@@H](CCc1ccco1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635005053 351622701 /nfs/dbraw/zinc/62/27/01/351622701.db2.gz GXAXPWMVKIUCOB-RDJZCZTQSA-N 1 3 286.419 3.150 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@@H]2CNc3ccccc32)c2ccccc21 ZINC000635004094 351622734 /nfs/dbraw/zinc/62/27/34/351622734.db2.gz CZXNAIVKJNDHRZ-XVSDVWIESA-N 1 3 293.414 3.320 20 0 CGADHO N[C@@H](CC[NH2+][C@H](C1CC1)C1CCC1)Cc1ccccc1 ZINC000635007950 351626740 /nfs/dbraw/zinc/62/67/40/351626740.db2.gz QKHLSXVLRZPGSU-ROUUACIJSA-N 1 3 272.436 3.115 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000339849288 215363313 /nfs/dbraw/zinc/36/33/13/215363313.db2.gz KLJZZNSQXUNBBM-SFHVURJKSA-N 1 3 272.436 3.159 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000339849288 215363314 /nfs/dbraw/zinc/36/33/14/215363314.db2.gz KLJZZNSQXUNBBM-SFHVURJKSA-N 1 3 272.436 3.159 20 0 CGADHO COc1cccc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123309957 187084402 /nfs/dbraw/zinc/08/44/02/187084402.db2.gz LDNXFFJPPPDWAV-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO Fc1ccc(F)c2c1CC[C@H]2NCCC[C@@H]1CCC[NH2+]1 ZINC000423472553 282984988 /nfs/dbraw/zinc/98/49/88/282984988.db2.gz GAFNQBMDIAHRHK-XHDPSFHLSA-N 1 3 280.362 3.074 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113411 198167063 /nfs/dbraw/zinc/16/70/63/198167063.db2.gz JHSZFMCRNTVZPR-PBHICJAKSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@H](C[N@H+]1CC[C@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113411 198167064 /nfs/dbraw/zinc/16/70/64/198167064.db2.gz JHSZFMCRNTVZPR-PBHICJAKSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368564343 234321539 /nfs/dbraw/zinc/32/15/39/234321539.db2.gz QXEDBOJTMYYEIK-ZTFGCOKTSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368564343 234321542 /nfs/dbraw/zinc/32/15/42/234321542.db2.gz QXEDBOJTMYYEIK-ZTFGCOKTSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000368564343 234321545 /nfs/dbraw/zinc/32/15/45/234321545.db2.gz QXEDBOJTMYYEIK-ZTFGCOKTSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCC12CCC2)N1CCCCC1 ZINC000337364034 295866604 /nfs/dbraw/zinc/86/66/04/295866604.db2.gz ANEDZRYGQDJVGI-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1=CCN(C)CC1 ZINC000271891550 191392938 /nfs/dbraw/zinc/39/29/38/191392938.db2.gz SARVJMYPBSTUSC-WMLDXEAASA-N 1 3 270.420 3.395 20 0 CGADHO C[N@H+]1CC=C(CNCc2cnc(-c3ccccc3)s2)CC1 ZINC000271867210 191378536 /nfs/dbraw/zinc/37/85/36/191378536.db2.gz WPXRMDURVAEVSA-UHFFFAOYSA-N 1 3 299.443 3.162 20 0 CGADHO C[N@@H+]1CC=C(CNCc2cnc(-c3ccccc3)s2)CC1 ZINC000271867210 191378539 /nfs/dbraw/zinc/37/85/39/191378539.db2.gz WPXRMDURVAEVSA-UHFFFAOYSA-N 1 3 299.443 3.162 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000414809103 235470067 /nfs/dbraw/zinc/47/00/67/235470067.db2.gz TYHIWHXYSYIJNT-HKUYNNGSSA-N 1 3 295.430 3.356 20 0 CGADHO Fc1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488141 138346003 /nfs/dbraw/zinc/34/60/03/138346003.db2.gz NSYFFQWQIRGWAU-BPQIPLTHSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccn(C)c2)CC1 ZINC000125615834 138383740 /nfs/dbraw/zinc/38/37/40/138383740.db2.gz RZOZITTXNVPYPX-MRXNPFEDSA-N 1 3 297.446 3.340 20 0 CGADHO Cc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2ccccn2)cc1 ZINC000423087339 235971275 /nfs/dbraw/zinc/97/12/75/235971275.db2.gz PFHNGCSSKXGYMQ-YJBOKZPZSA-N 1 3 283.419 3.196 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423265492 236014113 /nfs/dbraw/zinc/01/41/13/236014113.db2.gz BAYPSOIJHOLMTI-JKIFEVAISA-N 1 3 286.419 3.471 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000423388225 236059293 /nfs/dbraw/zinc/05/92/93/236059293.db2.gz IIJICJGGNPEDIT-NRSFXHEJSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCCNC1 ZINC000423351358 236047265 /nfs/dbraw/zinc/04/72/65/236047265.db2.gz YXUUSSBRVIKIQC-KURKYZTESA-N 1 3 272.436 3.302 20 0 CGADHO Cc1ccc([C@H](NCC2=CC[NH2+]CC2)C2CCCC2)o1 ZINC000423349845 236047709 /nfs/dbraw/zinc/04/77/09/236047709.db2.gz XVNSOYNWVYTOPI-QGZVFWFLSA-N 1 3 274.408 3.329 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423355542 236048351 /nfs/dbraw/zinc/04/83/51/236048351.db2.gz ICCGXNSTINPAFI-OAHLLOKOSA-N 1 3 280.415 3.401 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc2c1CNC2 ZINC000423406096 236065257 /nfs/dbraw/zinc/06/52/57/236065257.db2.gz YMRNKVISXHUCAX-CRAIPNDOSA-N 1 3 270.420 3.348 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423407408 236066230 /nfs/dbraw/zinc/06/62/30/236066230.db2.gz VTBYCOKGSPCNDZ-LYRGGWFBSA-N 1 3 278.827 3.305 20 0 CGADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000423468416 236078729 /nfs/dbraw/zinc/07/87/29/236078729.db2.gz BXTLHMQDKWKGSK-QWHCGFSZSA-N 1 3 293.480 3.205 20 0 CGADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000423474462 236080247 /nfs/dbraw/zinc/08/02/47/236080247.db2.gz HJQYPSRTRIHMNT-AAEUAGOBSA-N 1 3 268.351 3.148 20 0 CGADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1cccc(F)c1F ZINC000423476615 236080923 /nfs/dbraw/zinc/08/09/23/236080923.db2.gz JCCUPNFVCIXFOD-RYUDHWBXSA-N 1 3 268.351 3.148 20 0 CGADHO COc1ccc([C@H](C)NCCC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000423477172 236081108 /nfs/dbraw/zinc/08/11/08/236081108.db2.gz JRPGZDVWCYXLPF-QWHCGFSZSA-N 1 3 280.387 3.017 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)CN(C)C ZINC000425945498 236275427 /nfs/dbraw/zinc/27/54/27/236275427.db2.gz RCVOXWHCFDXESS-NJAFHUGGSA-N 1 3 274.452 3.284 20 0 CGADHO Cc1cccc(C)c1OCCN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000177887752 189076443 /nfs/dbraw/zinc/07/64/43/189076443.db2.gz WSTREONORZGMRT-ULQDDVLXSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cccc(C)c1OCCN[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000177887752 189076444 /nfs/dbraw/zinc/07/64/44/189076444.db2.gz WSTREONORZGMRT-ULQDDVLXSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1ccc(SCCN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000178380403 189112093 /nfs/dbraw/zinc/11/20/93/189112093.db2.gz PZTXMZXJIWLLOJ-UXLLHSPISA-N 1 3 292.492 3.405 20 0 CGADHO Cc1ccc(SCCN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380403 189112094 /nfs/dbraw/zinc/11/20/94/189112094.db2.gz PZTXMZXJIWLLOJ-UXLLHSPISA-N 1 3 292.492 3.405 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000423037629 296021223 /nfs/dbraw/zinc/02/12/23/296021223.db2.gz NFDFACWUANRERO-HZSPNIEDSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc(CC[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000449326810 239315260 /nfs/dbraw/zinc/31/52/60/239315260.db2.gz ZGYHVVGWSMBXDL-LJQANCHMSA-N 1 3 286.463 3.201 20 0 CGADHO Cc1cccc(CC[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000449326810 239315265 /nfs/dbraw/zinc/31/52/65/239315265.db2.gz ZGYHVVGWSMBXDL-LJQANCHMSA-N 1 3 286.463 3.201 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449409952 239391525 /nfs/dbraw/zinc/39/15/25/239391525.db2.gz WTSHQJWAROBIDT-RYRKJORJSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449408108 239392999 /nfs/dbraw/zinc/39/29/99/239392999.db2.gz MDAFCBHVKXFVOE-NUJGCVRESA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc2cccnc21 ZINC000120511403 370775353 /nfs/dbraw/zinc/77/53/53/370775353.db2.gz FLPFIKSVYYIZOP-KEYYUXOJSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc2cccnc21 ZINC000120511403 370775356 /nfs/dbraw/zinc/77/53/56/370775356.db2.gz FLPFIKSVYYIZOP-KEYYUXOJSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1(c2ccccc2)CCCC1)C1CNC1 ZINC000423045410 299342672 /nfs/dbraw/zinc/34/26/72/299342672.db2.gz CBUYJEVHCFZIJE-GJZGRUSLSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H](N[C@@H](C)C1(c2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000423045410 299342676 /nfs/dbraw/zinc/34/26/76/299342676.db2.gz CBUYJEVHCFZIJE-GJZGRUSLSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648144 193095837 /nfs/dbraw/zinc/09/58/37/193095837.db2.gz CHSPEHIIEFURMG-HFTRVMKXSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648144 193095839 /nfs/dbraw/zinc/09/58/39/193095839.db2.gz CHSPEHIIEFURMG-HFTRVMKXSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648144 193095841 /nfs/dbraw/zinc/09/58/41/193095841.db2.gz CHSPEHIIEFURMG-HFTRVMKXSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648144 193095843 /nfs/dbraw/zinc/09/58/43/193095843.db2.gz CHSPEHIIEFURMG-HFTRVMKXSA-N 1 3 290.426 3.345 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000121269729 370846456 /nfs/dbraw/zinc/84/64/56/370846456.db2.gz RHOKMNVOBGPUJG-AWEZNQCLSA-N 1 3 284.403 3.315 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000459431666 242105486 /nfs/dbraw/zinc/10/54/86/242105486.db2.gz SHGRTLQRKYPHGV-CVEARBPZSA-N 1 3 280.843 3.345 20 0 CGADHO C[NH+](C)[C@H]1CCC[C@@H](NCCc2cccc(Cl)c2)C1 ZINC000459431666 242105490 /nfs/dbraw/zinc/10/54/90/242105490.db2.gz SHGRTLQRKYPHGV-CVEARBPZSA-N 1 3 280.843 3.345 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459629294 242153849 /nfs/dbraw/zinc/15/38/49/242153849.db2.gz GZCWCZFTWDCWLH-LEUOFYLZSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459629294 242153855 /nfs/dbraw/zinc/15/38/55/242153855.db2.gz GZCWCZFTWDCWLH-LEUOFYLZSA-N 1 3 294.483 3.187 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120702 243094830 /nfs/dbraw/zinc/09/48/30/243094830.db2.gz UCGXLPMAMUNPCS-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000484486399 243312960 /nfs/dbraw/zinc/31/29/60/243312960.db2.gz KQQJAFLEJJJWLR-DAYGRLMNSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C)cc1 ZINC000037644092 369092877 /nfs/dbraw/zinc/09/28/77/369092877.db2.gz SPXDLOAFZLMJSD-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000037644092 369092885 /nfs/dbraw/zinc/09/28/85/369092885.db2.gz SPXDLOAFZLMJSD-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644092 369092892 /nfs/dbraw/zinc/09/28/92/369092892.db2.gz SPXDLOAFZLMJSD-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO Fc1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649457 369097568 /nfs/dbraw/zinc/09/75/68/369097568.db2.gz HNBCBJLQKUYZEC-ACJLOTCBSA-N 1 3 288.410 3.351 20 0 CGADHO Fc1ccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649457 369097569 /nfs/dbraw/zinc/09/75/69/369097569.db2.gz HNBCBJLQKUYZEC-ACJLOTCBSA-N 1 3 288.410 3.351 20 0 CGADHO CC[NH+]1CCC(NCc2ccc(C(C)C)cc2)CC1 ZINC000037976734 369129798 /nfs/dbraw/zinc/12/97/98/369129798.db2.gz HSWOODAVUCOEFZ-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO Cc1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc(C)c1O ZINC000037786526 369113507 /nfs/dbraw/zinc/11/35/07/369113507.db2.gz VJYXJJLTKQCUOD-UHFFFAOYSA-N 1 3 290.451 3.362 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H](C)CN2CCCCC2)cc(C)c1O ZINC000037997541 369135835 /nfs/dbraw/zinc/13/58/35/369135835.db2.gz YTDNATFWCXDKEN-CQSZACIVSA-N 1 3 290.451 3.221 20 0 CGADHO CCCOc1cccc(C[NH2+]CCCN2CCCCC2)c1 ZINC000037996790 369136642 /nfs/dbraw/zinc/13/66/42/369136642.db2.gz UBJPNWCFUISCRQ-UHFFFAOYSA-N 1 3 290.451 3.441 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H]1C ZINC000495042405 244348805 /nfs/dbraw/zinc/34/88/05/244348805.db2.gz WNABWFWFWNDBRQ-KEYYUXOJSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](c1ccccc1F)N(C)CCC1CC[NH2+]CC1 ZINC000062019023 369615349 /nfs/dbraw/zinc/61/53/49/369615349.db2.gz GJGNQEWZQCUOQT-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)CN1CCCC1 ZINC000062077524 369617630 /nfs/dbraw/zinc/61/76/30/369617630.db2.gz CRZPMTRMYSAXLZ-HZPDHXFCSA-N 1 3 290.451 3.035 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@H](C)c1ccccc1 ZINC000414855430 296149018 /nfs/dbraw/zinc/14/90/18/296149018.db2.gz NEERYFNSBGXNKC-QSJFSLAZSA-N 1 3 260.425 3.156 20 0 CGADHO Cc1ccc(C)c(OCCCN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173846 369786969 /nfs/dbraw/zinc/78/69/69/369786969.db2.gz QGCBBELWFPJINO-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO C[NH2+]CCC1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000070188812 369787787 /nfs/dbraw/zinc/78/77/87/369787787.db2.gz CKLOTSJUNDNELG-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Cl)s1 ZINC000084216968 370012121 /nfs/dbraw/zinc/01/21/21/370012121.db2.gz SLYCNLLDJICBIM-KOLCDFICSA-N 1 3 258.818 3.009 20 0 CGADHO C[C@@H]1C[C@@H](NCc2csc3ccccc23)CC[N@@H+]1C ZINC000090721149 370067354 /nfs/dbraw/zinc/06/73/54/370067354.db2.gz QFRBMBZTQITXHO-OCCSQVGLSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@@H](NCc2csc3ccccc23)CC[N@H+]1C ZINC000090721149 370067361 /nfs/dbraw/zinc/06/73/61/370067361.db2.gz QFRBMBZTQITXHO-OCCSQVGLSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccs1 ZINC000093496096 370135936 /nfs/dbraw/zinc/13/59/36/370135936.db2.gz BIHANFIBBCIQJS-UONOGXRCSA-N 1 3 266.454 3.191 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000093770361 370157488 /nfs/dbraw/zinc/15/74/88/370157488.db2.gz MLJKJRRTZHBGOI-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093770361 370157490 /nfs/dbraw/zinc/15/74/90/370157490.db2.gz MLJKJRRTZHBGOI-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO C[C@@H]([NH2+][C@H](C)C1(c2ccccc2)CCCC1)C1CNC1 ZINC000423045412 296158046 /nfs/dbraw/zinc/15/80/46/296158046.db2.gz CBUYJEVHCFZIJE-HUUCEWRRSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H](N[C@H](C)C1(c2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000423045412 296158048 /nfs/dbraw/zinc/15/80/48/296158048.db2.gz CBUYJEVHCFZIJE-HUUCEWRRSA-N 1 3 272.436 3.084 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000513203898 245069579 /nfs/dbraw/zinc/06/95/79/245069579.db2.gz MDNCJTXLMFUNMO-SZMVWBNQSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000513203898 245069585 /nfs/dbraw/zinc/06/95/85/245069585.db2.gz MDNCJTXLMFUNMO-SZMVWBNQSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578474 370992971 /nfs/dbraw/zinc/99/29/71/370992971.db2.gz OPGYLELBNDOWBX-XUJVJEKNSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578474 370992978 /nfs/dbraw/zinc/99/29/78/370992978.db2.gz OPGYLELBNDOWBX-XUJVJEKNSA-N 1 3 266.816 3.473 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000151095825 371568194 /nfs/dbraw/zinc/56/81/94/371568194.db2.gz TVXAJWGMZMJTMX-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421802253 371636568 /nfs/dbraw/zinc/63/65/68/371636568.db2.gz NERQRJIHHOLBPB-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO CC[NH+](CC)CCCN[C@@H](C)C1(OC)CCCCC1 ZINC000421802253 371636577 /nfs/dbraw/zinc/63/65/77/371636577.db2.gz NERQRJIHHOLBPB-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO COC1([C@@H](C)[NH2+]CCCN(C)C(C)C)CCCCC1 ZINC000421819186 371643122 /nfs/dbraw/zinc/64/31/22/371643122.db2.gz FQCHGWIZUZAPHM-OAHLLOKOSA-N 1 3 270.461 3.044 20 0 CGADHO COC1([C@@H](C)NCCC[N@H+](C)C(C)C)CCCCC1 ZINC000421819186 371643126 /nfs/dbraw/zinc/64/31/26/371643126.db2.gz FQCHGWIZUZAPHM-OAHLLOKOSA-N 1 3 270.461 3.044 20 0 CGADHO COC1([C@@H](C)NCCC[N@@H+](C)C(C)C)CCCCC1 ZINC000421819186 371643134 /nfs/dbraw/zinc/64/31/34/371643134.db2.gz FQCHGWIZUZAPHM-OAHLLOKOSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccncc1Cl ZINC000421827492 371649015 /nfs/dbraw/zinc/64/90/15/371649015.db2.gz XXULOVYBKPREJR-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C1 ZINC000152411411 371694544 /nfs/dbraw/zinc/69/45/44/371694544.db2.gz VCMPATARBFSVHZ-CZUORRHYSA-N 1 3 288.435 3.367 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C\c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422562654 371752951 /nfs/dbraw/zinc/75/29/51/371752951.db2.gz QPCXBTPGFWRGPP-IITQBNNDSA-N 1 3 276.399 3.144 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc2c1C ZINC000422699178 371757016 /nfs/dbraw/zinc/75/70/16/371757016.db2.gz AHZRMPKWOCEFSY-MNOVXSKESA-N 1 3 259.397 3.000 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422717296 371765833 /nfs/dbraw/zinc/76/58/33/371765833.db2.gz VJAFRXHCHMJOLU-CVEARBPZSA-N 1 3 278.415 3.353 20 0 CGADHO Cc1ccccc1OCCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422732933 371773049 /nfs/dbraw/zinc/77/30/49/371773049.db2.gz ALPQHGYYQMULPQ-CVEARBPZSA-N 1 3 276.424 3.014 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000422737955 371777639 /nfs/dbraw/zinc/77/76/39/371777639.db2.gz YBLFGCHRPCEEFX-MYLCLEHYSA-N 1 3 275.440 3.324 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422757398 371786299 /nfs/dbraw/zinc/78/62/99/371786299.db2.gz CVSCXBIGKOJQCK-CVEARBPZSA-N 1 3 276.399 3.107 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1cccc(Cl)c1 ZINC000422826868 371831069 /nfs/dbraw/zinc/83/10/69/371831069.db2.gz RIGWIIXVPLCBFC-IUODEOHRSA-N 1 3 280.843 3.335 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000422836926 371832413 /nfs/dbraw/zinc/83/24/13/371832413.db2.gz KZXHEWFLHUJDAZ-KBPBESRZSA-N 1 3 262.441 3.242 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422836926 371832423 /nfs/dbraw/zinc/83/24/23/371832423.db2.gz KZXHEWFLHUJDAZ-KBPBESRZSA-N 1 3 262.441 3.242 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422773216 371796956 /nfs/dbraw/zinc/79/69/56/371796956.db2.gz ZMBHGHSOAFEHDM-CZUORRHYSA-N 1 3 296.455 3.415 20 0 CGADHO CCC(CC)(C[NH2+][C@H](C)C[C@H](C)N)c1ccccc1 ZINC000422796081 371815585 /nfs/dbraw/zinc/81/55/85/371815585.db2.gz IMTXYQPKGRXRFO-LSDHHAIUSA-N 1 3 262.441 3.460 20 0 CGADHO CCC(CC)(CN[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422796081 371815592 /nfs/dbraw/zinc/81/55/92/371815592.db2.gz IMTXYQPKGRXRFO-LSDHHAIUSA-N 1 3 262.441 3.460 20 0 CGADHO CCC(CC)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422798081 371816268 /nfs/dbraw/zinc/81/62/68/371816268.db2.gz PQMPWUVITYPHMB-HZPDHXFCSA-N 1 3 260.425 3.214 20 0 CGADHO [NH3+]C1CCC(N[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000422859901 371843109 /nfs/dbraw/zinc/84/31/09/371843109.db2.gz LJGPJPIBYHKDRJ-ABHNRTSZSA-N 1 3 299.393 3.170 20 0 CGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1nc(C(C)(C)C)cs1 ZINC000422865233 371844436 /nfs/dbraw/zinc/84/44/36/371844436.db2.gz XHZNSJSMNWTLJN-WDEREUQCSA-N 1 3 269.458 3.219 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000422869484 371846086 /nfs/dbraw/zinc/84/60/86/371846086.db2.gz AGYQGQLKBYRNSM-XJKSGUPXSA-N 1 3 275.440 3.468 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCNCC[C@H]2C)CCC1 ZINC000422872155 371846541 /nfs/dbraw/zinc/84/65/41/371846541.db2.gz FYOTXOHHRIHDCU-CABCVRRESA-N 1 3 252.446 3.181 20 0 CGADHO Cc1nc(C)c(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000422891973 371857885 /nfs/dbraw/zinc/85/78/85/371857885.db2.gz XDNSPPPWSCMKAD-WFASDCNBSA-N 1 3 295.496 3.203 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000422898715 371859926 /nfs/dbraw/zinc/85/99/26/371859926.db2.gz MVYLWKKFKMGBRA-AEFFLSMTSA-N 1 3 290.451 3.125 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422915787 371867311 /nfs/dbraw/zinc/86/73/11/371867311.db2.gz YZRAQAYXDPRDDP-NVXWUHKLSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1c(F)cccc1Cl ZINC000422918398 371869925 /nfs/dbraw/zinc/86/99/25/371869925.db2.gz HKCWPERCBQFMNI-WDEREUQCSA-N 1 3 286.822 3.472 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422918398 371869930 /nfs/dbraw/zinc/86/99/30/371869930.db2.gz HKCWPERCBQFMNI-WDEREUQCSA-N 1 3 286.822 3.472 20 0 CGADHO Fc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000344069366 217036650 /nfs/dbraw/zinc/03/66/50/217036650.db2.gz BSUBBJMUPZVJPK-KRWDZBQOSA-N 1 3 276.399 3.279 20 0 CGADHO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)cc1 ZINC000422925423 371873704 /nfs/dbraw/zinc/87/37/04/371873704.db2.gz VCXZYYAWEKNRRQ-RBUKOAKNSA-N 1 3 296.414 3.332 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1c(F)cccc1Cl ZINC000422924468 371873997 /nfs/dbraw/zinc/87/39/97/371873997.db2.gz YMEANDMCFUTWGL-BXUZGUMPSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1C[NH3+])c1c(F)cccc1Cl ZINC000422924468 371874002 /nfs/dbraw/zinc/87/40/02/371874002.db2.gz YMEANDMCFUTWGL-BXUZGUMPSA-N 1 3 298.833 3.474 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932729 371877881 /nfs/dbraw/zinc/87/78/81/371877881.db2.gz GNWPGLCHIQTLIH-QZTJIDSGSA-N 1 3 296.414 3.202 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC1(c2ccc(Cl)cc2)CCC1 ZINC000422933479 371878365 /nfs/dbraw/zinc/87/83/65/371878365.db2.gz DNNANEDMXFSHMI-NWDGAFQWSA-N 1 3 266.816 3.435 20 0 CGADHO CC(C)c1ccc(OCCN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422934721 371879470 /nfs/dbraw/zinc/87/94/70/371879470.db2.gz CYVFCUHCBGFXQK-QAPCUYQASA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422936544 371879731 /nfs/dbraw/zinc/87/97/31/371879731.db2.gz MMKNORMNCJJFOX-BEFAXECRSA-N 1 3 282.431 3.360 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)c1ccccc1F ZINC000422849945 371837962 /nfs/dbraw/zinc/83/79/62/371837962.db2.gz MPRVGRJSGNMTFK-CJNGLKHVSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000422849945 371837968 /nfs/dbraw/zinc/83/79/68/371837968.db2.gz MPRVGRJSGNMTFK-CJNGLKHVSA-N 1 3 278.415 3.081 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)C1(C)C ZINC000344085102 217042399 /nfs/dbraw/zinc/04/23/99/217042399.db2.gz LTYLLBWKIFPOCU-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCO[C@@H]1C[C@H](NCCC[NH+]2CCCC2)C1(C)C ZINC000344085102 217042400 /nfs/dbraw/zinc/04/24/00/217042400.db2.gz LTYLLBWKIFPOCU-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000423048785 371934713 /nfs/dbraw/zinc/93/47/13/371934713.db2.gz ABJXXGOMZJAZNM-DMDPSCGWSA-N 1 3 274.330 3.048 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000423052761 371936336 /nfs/dbraw/zinc/93/63/36/371936336.db2.gz RDXINMSBBKBILU-KWCYVHTRSA-N 1 3 264.438 3.103 20 0 CGADHO C[C@H](CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC(C)(C)C ZINC000423059089 371939294 /nfs/dbraw/zinc/93/92/94/371939294.db2.gz LAXLCRUDPRPZMP-LTIDMASMSA-N 1 3 296.499 3.196 20 0 CGADHO CC(C)N(C)c1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423061101 371941202 /nfs/dbraw/zinc/94/12/02/371941202.db2.gz QBHGWTLPYCVDHC-RDJZCZTQSA-N 1 3 289.467 3.138 20 0 CGADHO CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422951269 371888761 /nfs/dbraw/zinc/88/87/61/371888761.db2.gz XURILNPBFFPLGM-VVLHZNOGSA-N 1 3 296.499 3.325 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1cccc(Cl)c1Cl ZINC000422951382 371889334 /nfs/dbraw/zinc/88/93/34/371889334.db2.gz YJYQZMKUVZLRRE-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951382 371889343 /nfs/dbraw/zinc/88/93/43/371889343.db2.gz YJYQZMKUVZLRRE-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2Cc3ccccc3C2)c2ccccc21 ZINC000422983863 371901074 /nfs/dbraw/zinc/90/10/74/371901074.db2.gz VLUHCZXVWMNNJC-RTBURBONSA-N 1 3 278.399 3.136 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000423002734 371909792 /nfs/dbraw/zinc/90/97/92/371909792.db2.gz ZKKIIEVUJBSMEG-QAPCUYQASA-N 1 3 295.430 3.226 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](CCO)C1CCCCC1 ZINC000423001953 371909895 /nfs/dbraw/zinc/90/98/95/371909895.db2.gz FKLBGWFWODUSTO-KBAYOESNSA-N 1 3 296.499 3.218 20 0 CGADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000423008629 371912687 /nfs/dbraw/zinc/91/26/87/371912687.db2.gz ASLMTXHUFOJBKJ-QLFBSQMISA-N 1 3 286.410 3.465 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423065652 371944270 /nfs/dbraw/zinc/94/42/70/371944270.db2.gz VEWMRNRTKQTSKB-MELADBBJSA-N 1 3 286.341 3.050 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423046683 371931717 /nfs/dbraw/zinc/93/17/17/371931717.db2.gz FAFJKDYKAMVXOF-BBRMVZONSA-N 1 3 282.378 3.005 20 0 CGADHO Clc1cccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423092528 371957660 /nfs/dbraw/zinc/95/76/60/371957660.db2.gz CFMZUHZZOSOENG-ABWAJUOPSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093604 371958167 /nfs/dbraw/zinc/95/81/67/371958167.db2.gz IEBVOTACVZZPSQ-WVZRYYJFSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1C[NH2+]C1 ZINC000423101289 371965154 /nfs/dbraw/zinc/96/51/54/371965154.db2.gz VVOZUGORILRLMM-WBIUFABUSA-N 1 3 298.352 3.149 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CNC1 ZINC000423101289 371965160 /nfs/dbraw/zinc/96/51/60/371965160.db2.gz VVOZUGORILRLMM-WBIUFABUSA-N 1 3 298.352 3.149 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423105860 371970054 /nfs/dbraw/zinc/97/00/54/371970054.db2.gz IXWXGXMLTVTEDO-RRFJBIMHSA-N 1 3 278.440 3.293 20 0 CGADHO c1cc2c(cccc2CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000423116344 371975236 /nfs/dbraw/zinc/97/52/36/371975236.db2.gz PMQNQPUWWKKMSU-BHIYHBOVSA-N 1 3 297.446 3.221 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423123197 371976978 /nfs/dbraw/zinc/97/69/78/371976978.db2.gz DKSSHZGLOMQEBF-MGPQQGTHSA-N 1 3 274.399 3.180 20 0 CGADHO N[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)c2ccccc21 ZINC000423172825 372002460 /nfs/dbraw/zinc/00/24/60/372002460.db2.gz VLLOEYJCUCFWCN-OWLYRPNTSA-N 1 3 282.362 3.416 20 0 CGADHO COc1cc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])ccc1Cl ZINC000423140867 371988047 /nfs/dbraw/zinc/98/80/47/371988047.db2.gz ZOFDBJXOHVPAPG-LSDHHAIUSA-N 1 3 296.842 3.141 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423146711 371990499 /nfs/dbraw/zinc/99/04/99/371990499.db2.gz QANWTXBVSNTCMM-XYJFISCASA-N 1 3 272.436 3.214 20 0 CGADHO Cc1ccc(F)c(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000423148221 371992627 /nfs/dbraw/zinc/99/26/27/371992627.db2.gz FJRYQHISUGVFHW-ROUUACIJSA-N 1 3 284.378 3.411 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCC2CC(F)(F)C2)c2ccccc21 ZINC000423159822 371996413 /nfs/dbraw/zinc/99/64/13/371996413.db2.gz GQFNMTSWDIUMJV-KGLIPLIRSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N1CCC(Cc2cccc(F)c2F)CC1 ZINC000423167819 371999776 /nfs/dbraw/zinc/99/97/76/371999776.db2.gz XHEVFDDWKMXOHR-QWHCGFSZSA-N 1 3 296.405 3.345 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169950 372000378 /nfs/dbraw/zinc/00/03/78/372000378.db2.gz KRHUYPJFKDCGGF-GZZJDILISA-N 1 3 282.790 3.052 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169950 372000386 /nfs/dbraw/zinc/00/03/86/372000386.db2.gz KRHUYPJFKDCGGF-GZZJDILISA-N 1 3 282.790 3.052 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000423070438 371947351 /nfs/dbraw/zinc/94/73/51/371947351.db2.gz NHFYLSQNYSWFEB-WMLDXEAASA-N 1 3 276.424 3.001 20 0 CGADHO C[C@H](CC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423080942 371951615 /nfs/dbraw/zinc/95/16/15/371951615.db2.gz BZPLAGCQFNFBTE-SLHHOWHOSA-N 1 3 250.430 3.218 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@@H]2CCCC[C@@H]2CN)c1C ZINC000423090421 371956793 /nfs/dbraw/zinc/95/67/93/371956793.db2.gz VNFQDPXMUYTGJG-IAGOWNOFSA-N 1 3 290.451 3.179 20 0 CGADHO CC(C)(C)C[C@@H](NCCC[NH3+])c1ccc(F)cc1 ZINC000423193001 372019342 /nfs/dbraw/zinc/01/93/42/372019342.db2.gz QLZVSRDZGONNOY-CQSZACIVSA-N 1 3 252.377 3.241 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423203559 372026481 /nfs/dbraw/zinc/02/64/81/372026481.db2.gz CNASCWQDFOBJQL-HUUCEWRRSA-N 1 3 268.404 3.490 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423209389 372032087 /nfs/dbraw/zinc/03/20/87/372032087.db2.gz FDGSVGJDMJFJRQ-VNHYZAJKSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423221443 372040218 /nfs/dbraw/zinc/04/02/18/372040218.db2.gz ZVZOKKXYDZUGPR-XNJGSVPQSA-N 1 3 276.399 3.038 20 0 CGADHO [NH3+]C[C@H](N[C@@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269600 372046110 /nfs/dbraw/zinc/04/61/10/372046110.db2.gz VXBHQOFVZYCTRV-SJORKVTESA-N 1 3 258.409 3.171 20 0 CGADHO CC1(C)[C@H]([NH2+]CCNC2CCCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000423280492 372047721 /nfs/dbraw/zinc/04/77/21/372047721.db2.gz STGJWEDIZCVOIB-BBWFWOEESA-N 1 3 294.483 3.092 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccc(Cl)cc21 ZINC000423282112 372048057 /nfs/dbraw/zinc/04/80/57/372048057.db2.gz UXEXJIUAOSFXER-MAZHCROVSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000423313033 372051086 /nfs/dbraw/zinc/05/10/86/372051086.db2.gz WHGQZYJSWQYRFT-HUUCEWRRSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423374428 372055206 /nfs/dbraw/zinc/05/52/06/372055206.db2.gz SVOMOGHQEFQIID-ABYLEIOUSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000423388460 372058276 /nfs/dbraw/zinc/05/82/76/372058276.db2.gz NQEOJWHSCKAYQU-IGCXYCKISA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H](NCCC[NH3+])[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423182687 372010118 /nfs/dbraw/zinc/01/01/18/372010118.db2.gz GSYZLNQXXCIZKY-ZJUUUORDSA-N 1 3 291.222 3.088 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)s1 ZINC000423181770 372011245 /nfs/dbraw/zinc/01/12/45/372011245.db2.gz PMVATBIRQNVZND-GFCCVEGCSA-N 1 3 252.427 3.369 20 0 CGADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000424374014 372084965 /nfs/dbraw/zinc/08/49/65/372084965.db2.gz KOULSRBNSPFJFQ-FAJBIJEISA-N 1 3 298.430 3.021 20 0 CGADHO CCC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000344303298 217141447 /nfs/dbraw/zinc/14/14/47/217141447.db2.gz SWSUJHVRTJYKGR-QGZVFWFLSA-N 1 3 258.409 3.379 20 0 CGADHO COC1(C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)CCC1 ZINC000429349929 372354691 /nfs/dbraw/zinc/35/46/91/372354691.db2.gz AWXVLJQQTXJZPK-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C(C)C ZINC000162574285 372403353 /nfs/dbraw/zinc/40/33/53/372403353.db2.gz NWRTWDNKCJNJLX-KRWDZBQOSA-N 1 3 278.440 3.151 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)CN(C)C ZINC000293765496 372475329 /nfs/dbraw/zinc/47/53/29/372475329.db2.gz SINMFWQMZJHRQS-UWVGGRQHSA-N 1 3 260.834 3.250 20 0 CGADHO CC[N@H+](CCCc1cccc(OC)c1)[C@@H]1CCCNCC1 ZINC000435630143 372787134 /nfs/dbraw/zinc/78/71/34/372787134.db2.gz ZTSHIWHHXWNSSL-QGZVFWFLSA-N 1 3 290.451 3.092 20 0 CGADHO CC[N@@H+](CCCc1cccc(OC)c1)[C@@H]1CCCNCC1 ZINC000435630143 372787139 /nfs/dbraw/zinc/78/71/39/372787139.db2.gz ZTSHIWHHXWNSSL-QGZVFWFLSA-N 1 3 290.451 3.092 20 0 CGADHO C[NH2+]CCCN(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000435877075 372823467 /nfs/dbraw/zinc/82/34/67/372823467.db2.gz NDFRIOXNQRHPQH-HNNXBMFYSA-N 1 3 260.425 3.459 20 0 CGADHO CNCCC[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000435877075 372823472 /nfs/dbraw/zinc/82/34/72/372823472.db2.gz NDFRIOXNQRHPQH-HNNXBMFYSA-N 1 3 260.425 3.459 20 0 CGADHO CNCCC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000435877075 372823483 /nfs/dbraw/zinc/82/34/83/372823483.db2.gz NDFRIOXNQRHPQH-HNNXBMFYSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H]1CN(CCC[NH2+]C)CC[C@H]1c1ccccc1 ZINC000435885861 372824090 /nfs/dbraw/zinc/82/40/90/372824090.db2.gz OXWIFBBFVZUOFG-DOTOQJQBSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@H]1C[N@H+](CCCNC)CC[C@H]1c1ccccc1 ZINC000435885861 372824103 /nfs/dbraw/zinc/82/41/03/372824103.db2.gz OXWIFBBFVZUOFG-DOTOQJQBSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@H]1C[N@@H+](CCCNC)CC[C@H]1c1ccccc1 ZINC000435885861 372824108 /nfs/dbraw/zinc/82/41/08/372824108.db2.gz OXWIFBBFVZUOFG-DOTOQJQBSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000442780559 373077477 /nfs/dbraw/zinc/07/74/77/373077477.db2.gz NZRLJYCHADGVRR-HZPDHXFCSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780559 373077485 /nfs/dbraw/zinc/07/74/85/373077485.db2.gz NZRLJYCHADGVRR-HZPDHXFCSA-N 1 3 282.431 3.442 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000442917793 373127440 /nfs/dbraw/zinc/12/74/40/373127440.db2.gz BJIBJFBQUKFYIP-CYBMUJFWSA-N 1 3 293.480 3.362 20 0 CGADHO Cc1cc(CN2CCC[C@H](CC[NH3+])C2)ccc1Cl ZINC000442922801 373128531 /nfs/dbraw/zinc/12/85/31/373128531.db2.gz LAVNUOAMLPKDHM-CYBMUJFWSA-N 1 3 266.816 3.209 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919022 373215648 /nfs/dbraw/zinc/21/56/48/373215648.db2.gz BPGYMCLWCKIAMF-FUHWJXTLSA-N 1 3 274.452 3.281 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919022 373215653 /nfs/dbraw/zinc/21/56/53/373215653.db2.gz BPGYMCLWCKIAMF-FUHWJXTLSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@@H](C)CCc2ccccc2)C1 ZINC000173919022 373215659 /nfs/dbraw/zinc/21/56/59/373215659.db2.gz BPGYMCLWCKIAMF-FUHWJXTLSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)CCc2ccccc2)C1 ZINC000173919022 373215665 /nfs/dbraw/zinc/21/56/65/373215665.db2.gz BPGYMCLWCKIAMF-FUHWJXTLSA-N 1 3 274.452 3.281 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000298513239 373344151 /nfs/dbraw/zinc/34/41/51/373344151.db2.gz RALFHIJIJPWVHO-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNCCc2cccc(Cl)c2)C1 ZINC000298513239 373344161 /nfs/dbraw/zinc/34/41/61/373344161.db2.gz RALFHIJIJPWVHO-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@H+]1CC[C@H](CNCCc2cccc(Cl)c2)C1 ZINC000298513239 373344168 /nfs/dbraw/zinc/34/41/68/373344168.db2.gz RALFHIJIJPWVHO-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1cccc(F)c1F ZINC000353614749 220193970 /nfs/dbraw/zinc/19/39/70/220193970.db2.gz UIODBZAIGWXCTA-HIFPTAJRSA-N 1 3 282.378 3.488 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000175010059 373394734 /nfs/dbraw/zinc/39/47/34/373394734.db2.gz JNSLZEZTCLBKFF-HUUCEWRRSA-N 1 3 271.408 3.130 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C(C)(C)C ZINC000449466216 373749153 /nfs/dbraw/zinc/74/91/53/373749153.db2.gz GEFRSIPECKKOPQ-KFWWJZLASA-N 1 3 252.446 3.418 20 0 CGADHO CO[C@@H]([C@@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000449629617 373836044 /nfs/dbraw/zinc/83/60/44/373836044.db2.gz LBEHPOHIFIUAFN-KDOFPFPSSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]([C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000449629617 373836046 /nfs/dbraw/zinc/83/60/46/373836046.db2.gz LBEHPOHIFIUAFN-KDOFPFPSSA-N 1 3 294.483 3.187 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000450252465 374023263 /nfs/dbraw/zinc/02/32/63/374023263.db2.gz IGPMYXMXTUACSC-JKSUJKDBSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000450252465 374023270 /nfs/dbraw/zinc/02/32/70/374023270.db2.gz IGPMYXMXTUACSC-JKSUJKDBSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1cc(N2CCC(C[NH+](CC)CC)CC2)ccn1 ZINC000450253311 374022267 /nfs/dbraw/zinc/02/22/67/374022267.db2.gz NQNVJSFZWMUWBK-UHFFFAOYSA-N 1 3 275.440 3.202 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000450356846 374077679 /nfs/dbraw/zinc/07/76/79/374077679.db2.gz XOYXPOWEKQJILF-ZFWWWQNUSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000450356846 374077688 /nfs/dbraw/zinc/07/76/88/374077688.db2.gz XOYXPOWEKQJILF-ZFWWWQNUSA-N 1 3 283.419 3.114 20 0 CGADHO CC(C)[C@@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305099811 374068006 /nfs/dbraw/zinc/06/80/06/374068006.db2.gz AQXVUUZBKWMEED-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305099811 374068011 /nfs/dbraw/zinc/06/80/11/374068011.db2.gz AQXVUUZBKWMEED-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO C[C@H](NCc1ccn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309748479 374195514 /nfs/dbraw/zinc/19/55/14/374195514.db2.gz YQISBGBCXQMUHD-LPHOPBHVSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H](NCc1ccn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748479 374195522 /nfs/dbraw/zinc/19/55/22/374195522.db2.gz YQISBGBCXQMUHD-LPHOPBHVSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H]([NH2+]Cc1ccn(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309748479 374195532 /nfs/dbraw/zinc/19/55/32/374195532.db2.gz YQISBGBCXQMUHD-LPHOPBHVSA-N 1 3 297.446 3.025 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076519524 541912303 /nfs/dbraw/zinc/91/23/03/541912303.db2.gz IYVPXSRWPYDOQP-HNNXBMFYSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076519524 541912306 /nfs/dbraw/zinc/91/23/06/541912306.db2.gz IYVPXSRWPYDOQP-HNNXBMFYSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076519524 541912310 /nfs/dbraw/zinc/91/23/10/541912310.db2.gz IYVPXSRWPYDOQP-HNNXBMFYSA-N 1 3 280.843 3.202 20 0 CGADHO CC[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000090887328 541964875 /nfs/dbraw/zinc/96/48/75/541964875.db2.gz HRJUUVFXQNDZRN-XHDPSFHLSA-N 1 3 279.428 3.062 20 0 CGADHO CCC[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccnc1 ZINC000185650541 374706423 /nfs/dbraw/zinc/70/64/23/374706423.db2.gz JEQVWEJNLSAXOK-YESZJQIVSA-N 1 3 275.440 3.385 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721291 374723324 /nfs/dbraw/zinc/72/33/24/374723324.db2.gz ZUNBCQPKLRFWCX-GJZGRUSLSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721291 374723334 /nfs/dbraw/zinc/72/33/34/374723334.db2.gz ZUNBCQPKLRFWCX-GJZGRUSLSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185721291 374723342 /nfs/dbraw/zinc/72/33/42/374723342.db2.gz ZUNBCQPKLRFWCX-GJZGRUSLSA-N 1 3 250.430 3.195 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000334581481 374881328 /nfs/dbraw/zinc/88/13/28/374881328.db2.gz JMMAHWRXUBUAKL-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000334581481 374881334 /nfs/dbraw/zinc/88/13/34/374881334.db2.gz JMMAHWRXUBUAKL-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000334581481 374881342 /nfs/dbraw/zinc/88/13/42/374881342.db2.gz JMMAHWRXUBUAKL-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO CCCc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000187106364 374971656 /nfs/dbraw/zinc/97/16/56/374971656.db2.gz MOVPKGSNMYVOJD-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000334711019 374994072 /nfs/dbraw/zinc/99/40/72/374994072.db2.gz YCPDHVYFRKHINM-GFCCVEGCSA-N 1 3 280.362 3.101 20 0 CGADHO CCN(CCc1cccs1)CC[C@@H]1CCCC[N@@H+]1C ZINC000472763211 375033638 /nfs/dbraw/zinc/03/36/38/375033638.db2.gz GDMUWJFFWDOKPK-HNNXBMFYSA-N 1 3 280.481 3.487 20 0 CGADHO CCN(CCc1cccs1)CC[C@@H]1CCCC[N@H+]1C ZINC000472763211 375033645 /nfs/dbraw/zinc/03/36/45/375033645.db2.gz GDMUWJFFWDOKPK-HNNXBMFYSA-N 1 3 280.481 3.487 20 0 CGADHO CCCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000474107482 375082414 /nfs/dbraw/zinc/08/24/14/375082414.db2.gz YAVCFTJVNILEOW-QAPCUYQASA-N 1 3 290.451 3.214 20 0 CGADHO CCCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000474107482 375082421 /nfs/dbraw/zinc/08/24/21/375082421.db2.gz YAVCFTJVNILEOW-QAPCUYQASA-N 1 3 290.451 3.214 20 0 CGADHO CC(C)[C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000474153786 375085116 /nfs/dbraw/zinc/08/51/16/375085116.db2.gz NWMVJOVYGGFXPS-SFHVURJKSA-N 1 3 274.452 3.452 20 0 CGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000474477352 375114219 /nfs/dbraw/zinc/11/42/19/375114219.db2.gz MJJRUXNSCFSYTF-AEFFLSMTSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1ccc(F)c2ccccc21 ZINC000335222562 375241916 /nfs/dbraw/zinc/24/19/16/375241916.db2.gz JBMLSKPDRXNNGD-LBPRGKRZSA-N 1 3 272.367 3.382 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000487546405 375249437 /nfs/dbraw/zinc/24/94/37/375249437.db2.gz ZEKJCLFCDFSOJX-WMLDXEAASA-N 1 3 287.451 3.322 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000488719490 375312526 /nfs/dbraw/zinc/31/25/26/375312526.db2.gz WNCPEYRNBWEYMR-IBGZPJMESA-N 1 3 295.430 3.384 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000488719490 375312537 /nfs/dbraw/zinc/31/25/37/375312537.db2.gz WNCPEYRNBWEYMR-IBGZPJMESA-N 1 3 295.430 3.384 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H](C)CN(C)C ZINC000491557698 375331724 /nfs/dbraw/zinc/33/17/24/375331724.db2.gz CWFUFJSRIFIYBT-LLVKDONJSA-N 1 3 268.832 3.244 20 0 CGADHO CCC[C@H](C[NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000491596114 375336704 /nfs/dbraw/zinc/33/67/04/375336704.db2.gz HLBQSPUVBIJFHZ-NVXWUHKLSA-N 1 3 262.441 3.358 20 0 CGADHO FC1(F)CCCC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000495015295 375495767 /nfs/dbraw/zinc/49/57/67/375495767.db2.gz FYFAPZJBPQKHNS-KKUMJFAQSA-N 1 3 286.410 3.418 20 0 CGADHO CCC[NH+]1CCC(NC[C@@H](C)c2ncc(C)s2)CC1 ZINC000120616843 542012499 /nfs/dbraw/zinc/01/24/99/542012499.db2.gz CBFRBJXGZXVSSA-GFCCVEGCSA-N 1 3 281.469 3.019 20 0 CGADHO CCc1cccnc1[C@@H](C)NCCC1CC[NH+](CC)CC1 ZINC000507495412 375708673 /nfs/dbraw/zinc/70/86/73/375708673.db2.gz MKUHUXAPHJSZRB-OAHLLOKOSA-N 1 3 289.467 3.417 20 0 CGADHO CC1(C)CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000336131940 375711752 /nfs/dbraw/zinc/71/17/52/375711752.db2.gz OYDNXDDZVRPXPS-UHFFFAOYSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000507995188 375730772 /nfs/dbraw/zinc/73/07/72/375730772.db2.gz OPXHYDFFWLVKAH-HNNXBMFYSA-N 1 3 260.425 3.206 20 0 CGADHO CC[C@@H](C[NH+]1CCC(N(C)C)CC1)c1ccccc1 ZINC000507995188 375730782 /nfs/dbraw/zinc/73/07/82/375730782.db2.gz OPXHYDFFWLVKAH-HNNXBMFYSA-N 1 3 260.425 3.206 20 0 CGADHO c1ccc2c(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002731 375808597 /nfs/dbraw/zinc/80/85/97/375808597.db2.gz UETCARUTGPGWHY-HNAYVOBHSA-N 1 3 295.430 3.199 20 0 CGADHO COc1cccc([C@H](C)NCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000519411378 375837313 /nfs/dbraw/zinc/83/73/13/375837313.db2.gz DHAPWZQRAXBSPP-AWEZNQCLSA-N 1 3 296.414 3.192 20 0 CGADHO C[C@H](CC[NH+]1CCC(N(C)C)CC1)c1ccccc1 ZINC000193718725 375914557 /nfs/dbraw/zinc/91/45/57/375914557.db2.gz UTVDVMROZFRNGU-OAHLLOKOSA-N 1 3 260.425 3.206 20 0 CGADHO CC(C)n1nccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000337184487 376122149 /nfs/dbraw/zinc/12/21/49/376122149.db2.gz ODUVHTAHSIZTPO-UHFFFAOYSA-N 1 3 292.471 3.018 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536858668 376137538 /nfs/dbraw/zinc/13/75/38/376137538.db2.gz RFUZFOIFFXTOJA-YYIAUSFCSA-N 1 3 282.472 3.044 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000215971516 376154164 /nfs/dbraw/zinc/15/41/64/376154164.db2.gz YJPLPKFIIHOMHZ-KGLIPLIRSA-N 1 3 284.403 3.018 20 0 CGADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222953531 376243953 /nfs/dbraw/zinc/24/39/53/376243953.db2.gz QXYWRHIFFAOJQS-NFAWXSAZSA-N 1 3 276.424 3.461 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000540194962 376366243 /nfs/dbraw/zinc/36/62/43/376366243.db2.gz MRPVLVDHWMNZBT-BEFAXECRSA-N 1 3 298.430 3.148 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000540194962 376366251 /nfs/dbraw/zinc/36/62/51/376366251.db2.gz MRPVLVDHWMNZBT-BEFAXECRSA-N 1 3 298.430 3.148 20 0 CGADHO COc1cccc(Cl)c1CNCC1(C)CC[NH+](C)CC1 ZINC000227328318 376390175 /nfs/dbraw/zinc/39/01/75/376390175.db2.gz MPBHSAVBHFGUFF-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915272 376592353 /nfs/dbraw/zinc/59/23/53/376592353.db2.gz XNSCHELTRCKVSR-NSISKUIASA-N 1 3 298.474 3.208 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915272 376592354 /nfs/dbraw/zinc/59/23/54/376592354.db2.gz XNSCHELTRCKVSR-NSISKUIASA-N 1 3 298.474 3.208 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000237051252 376728840 /nfs/dbraw/zinc/72/88/40/376728840.db2.gz MKVTVSBWQFOGLU-HOTGVXAUSA-N 1 3 271.408 3.130 20 0 CGADHO CCCC[C@H](CC)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544894824 376768210 /nfs/dbraw/zinc/76/82/10/376768210.db2.gz WUKUKFMKLWNYFH-XLAORIBOSA-N 1 3 296.499 3.386 20 0 CGADHO C[C@H](NCc1cc(-c2ccccc2)on1)C1CC[NH+](C)CC1 ZINC000154856476 542119600 /nfs/dbraw/zinc/11/96/00/542119600.db2.gz RKNWHZSYWILTFY-AWEZNQCLSA-N 1 3 299.418 3.162 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245520942 376842025 /nfs/dbraw/zinc/84/20/25/376842025.db2.gz SYTFOYVNAFUCSO-DYVFJYSZSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C)C[C@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245520942 376842033 /nfs/dbraw/zinc/84/20/33/376842033.db2.gz SYTFOYVNAFUCSO-DYVFJYSZSA-N 1 3 276.399 3.087 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000246148431 376976056 /nfs/dbraw/zinc/97/60/56/376976056.db2.gz KVRXRZIQGZRNLH-SWLSCSKDSA-N 1 3 296.842 3.169 20 0 CGADHO CCC[C@@H](C)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245841011 376916064 /nfs/dbraw/zinc/91/60/64/376916064.db2.gz JWDSZMBANOHWTA-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000245841011 376916072 /nfs/dbraw/zinc/91/60/72/376916072.db2.gz JWDSZMBANOHWTA-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000245841011 376916077 /nfs/dbraw/zinc/91/60/77/376916077.db2.gz JWDSZMBANOHWTA-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942446 376940366 /nfs/dbraw/zinc/94/03/66/376940366.db2.gz AYFNRPQKKFQDLL-QAPCUYQASA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942446 376940371 /nfs/dbraw/zinc/94/03/71/376940371.db2.gz AYFNRPQKKFQDLL-QAPCUYQASA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942446 376940381 /nfs/dbraw/zinc/94/03/81/376940381.db2.gz AYFNRPQKKFQDLL-QAPCUYQASA-N 1 3 290.451 3.324 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000245986064 376949501 /nfs/dbraw/zinc/94/95/01/376949501.db2.gz CCNNQDYVTQGGIR-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000245986064 376949513 /nfs/dbraw/zinc/94/95/13/376949513.db2.gz CCNNQDYVTQGGIR-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO Cc1ccccc1C[C@@H](C)N(C)CCC[NH+]1CCCC1 ZINC000559972797 377112001 /nfs/dbraw/zinc/11/20/01/377112001.db2.gz ATMUSWZKJQWUEP-QGZVFWFLSA-N 1 3 274.452 3.344 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000340524968 377123267 /nfs/dbraw/zinc/12/32/67/377123267.db2.gz UQPYPVYQXIQVOA-IAOVAPTHSA-N 1 3 294.414 3.168 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246820516 377096737 /nfs/dbraw/zinc/09/67/37/377096737.db2.gz AOMKSEAUDMVMCK-YLFCFFPRSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246820516 377096747 /nfs/dbraw/zinc/09/67/47/377096747.db2.gz AOMKSEAUDMVMCK-YLFCFFPRSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000247073131 377155094 /nfs/dbraw/zinc/15/50/94/377155094.db2.gz QHWGXRKHENLXEB-JFIYKMOQSA-N 1 3 274.452 3.430 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000247073131 377155100 /nfs/dbraw/zinc/15/51/00/377155100.db2.gz QHWGXRKHENLXEB-JFIYKMOQSA-N 1 3 274.452 3.430 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000560525562 377162984 /nfs/dbraw/zinc/16/29/84/377162984.db2.gz QGYMTZBUKXGZIB-RCCFBDPRSA-N 1 3 272.436 3.211 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000560525562 377162989 /nfs/dbraw/zinc/16/29/89/377162989.db2.gz QGYMTZBUKXGZIB-RCCFBDPRSA-N 1 3 272.436 3.211 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000247180929 377173050 /nfs/dbraw/zinc/17/30/50/377173050.db2.gz VGLGASVXXCNEOW-NUJGCVRESA-N 1 3 294.483 3.046 20 0 CGADHO c1ccc(CN2CCC[C@H]3C[N@H+](CC4CC4)CC[C@H]32)cc1 ZINC000247946641 377247627 /nfs/dbraw/zinc/24/76/27/377247627.db2.gz DOTFHGKDWRWHOM-RBUKOAKNSA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CCC[C@H]3C[N@@H+](CC4CC4)CC[C@H]32)cc1 ZINC000247946641 377247635 /nfs/dbraw/zinc/24/76/35/377247635.db2.gz DOTFHGKDWRWHOM-RBUKOAKNSA-N 1 3 284.447 3.383 20 0 CGADHO Cc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000563153780 377410743 /nfs/dbraw/zinc/41/07/43/377410743.db2.gz HBUZSXWNDCYKIA-GFCCVEGCSA-N 1 3 260.406 3.366 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382042 377496546 /nfs/dbraw/zinc/49/65/46/377496546.db2.gz SZJNJDOJTGUOHN-HUUCEWRRSA-N 1 3 272.436 3.168 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382042 377496551 /nfs/dbraw/zinc/49/65/51/377496551.db2.gz SZJNJDOJTGUOHN-HUUCEWRRSA-N 1 3 272.436 3.168 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382042 377496555 /nfs/dbraw/zinc/49/65/55/377496555.db2.gz SZJNJDOJTGUOHN-HUUCEWRRSA-N 1 3 272.436 3.168 20 0 CGADHO CCOc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422904944 249127646 /nfs/dbraw/zinc/12/76/46/249127646.db2.gz RCNKWZGRGBNJKV-CYBMUJFWSA-N 1 3 299.418 3.098 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905369 249127666 /nfs/dbraw/zinc/12/76/66/249127666.db2.gz ICXQTMMTBXPDGA-GDBMZVCRSA-N 1 3 290.476 3.289 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905369 249127667 /nfs/dbraw/zinc/12/76/67/249127667.db2.gz ICXQTMMTBXPDGA-GDBMZVCRSA-N 1 3 290.476 3.289 20 0 CGADHO C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000250673524 377565016 /nfs/dbraw/zinc/56/50/16/377565016.db2.gz VWWYOBPQKZLHPE-NXOAAHMSSA-N 1 3 262.441 3.172 20 0 CGADHO c1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000469879262 249161305 /nfs/dbraw/zinc/16/13/05/249161305.db2.gz FJTCCUGLRXMZLR-OALUTQOASA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc(CC[C@@H]2CCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000469879262 249161306 /nfs/dbraw/zinc/16/13/06/249161306.db2.gz FJTCCUGLRXMZLR-OALUTQOASA-N 1 3 286.463 3.473 20 0 CGADHO CC(C)(N)C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000469872582 249161855 /nfs/dbraw/zinc/16/18/55/249161855.db2.gz RFGMIYDBWPMYAM-UHFFFAOYSA-N 1 3 264.388 3.308 20 0 CGADHO CC(C)(N)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000469872582 249161858 /nfs/dbraw/zinc/16/18/58/249161858.db2.gz RFGMIYDBWPMYAM-UHFFFAOYSA-N 1 3 264.388 3.308 20 0 CGADHO CCC[N@H+](C/C=C\c1ccc(F)cc1)C1CCNCC1 ZINC000469992616 249165912 /nfs/dbraw/zinc/16/59/12/249165912.db2.gz SEJDUWZXXJWZFD-ARJAWSKDSA-N 1 3 276.399 3.303 20 0 CGADHO CCC[N@@H+](C/C=C\c1ccc(F)cc1)C1CCNCC1 ZINC000469992616 249165913 /nfs/dbraw/zinc/16/59/13/249165913.db2.gz SEJDUWZXXJWZFD-ARJAWSKDSA-N 1 3 276.399 3.303 20 0 CGADHO CC1(C)C[N@H+](C[C@H]2CCCNC2)C[C@@H]1c1ccccc1 ZINC000469984648 249164369 /nfs/dbraw/zinc/16/43/69/249164369.db2.gz UIQSCNFAHNBEJV-DOTOQJQBSA-N 1 3 272.436 3.112 20 0 CGADHO CC1(C)C[N@@H+](C[C@H]2CCCNC2)C[C@@H]1c1ccccc1 ZINC000469984648 249164373 /nfs/dbraw/zinc/16/43/73/249164373.db2.gz UIQSCNFAHNBEJV-DOTOQJQBSA-N 1 3 272.436 3.112 20 0 CGADHO CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000469987246 249165012 /nfs/dbraw/zinc/16/50/12/249165012.db2.gz MMBZTAFTHIJILR-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000469987246 249165014 /nfs/dbraw/zinc/16/50/14/249165014.db2.gz MMBZTAFTHIJILR-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000514615333 249183276 /nfs/dbraw/zinc/18/32/76/249183276.db2.gz TZQZBVNWLIRYIM-HUUCEWRRSA-N 1 3 289.398 3.099 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000251461036 377582841 /nfs/dbraw/zinc/58/28/41/377582841.db2.gz HJGPMGQOBSVQME-BRWVUGGUSA-N 1 3 258.409 3.005 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000516123243 249226395 /nfs/dbraw/zinc/22/63/95/249226395.db2.gz PUNPVJYWCNIHDL-HUUCEWRRSA-N 1 3 298.833 3.484 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCc2ccc(F)cc2Cl)C1 ZINC000516123243 249226399 /nfs/dbraw/zinc/22/63/99/249226399.db2.gz PUNPVJYWCNIHDL-HUUCEWRRSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@H](C)C1 ZINC000251770487 377598975 /nfs/dbraw/zinc/59/89/75/377598975.db2.gz FANVVYSXIZNYQC-SUJAAXHWSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000574365809 377655367 /nfs/dbraw/zinc/65/53/67/377655367.db2.gz HZLBLPRTGWOEKP-ULQDDVLXSA-N 1 3 274.452 3.499 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000252776658 377661573 /nfs/dbraw/zinc/66/15/73/377661573.db2.gz KMUKXEQTEBDDOE-QKPAOTATSA-N 1 3 252.446 3.179 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252570479 377638662 /nfs/dbraw/zinc/63/86/62/377638662.db2.gz ACFZTAZEZNYTSA-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252570479 377638669 /nfs/dbraw/zinc/63/86/69/377638669.db2.gz ACFZTAZEZNYTSA-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252570479 377638677 /nfs/dbraw/zinc/63/86/77/377638677.db2.gz ACFZTAZEZNYTSA-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000342588277 377675882 /nfs/dbraw/zinc/67/58/82/377675882.db2.gz CUTLZSFYWVWPIY-LZWOXQAQSA-N 1 3 264.457 3.418 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000259011171 377802460 /nfs/dbraw/zinc/80/24/60/377802460.db2.gz NQPFLPGRVKKABF-IAGOWNOFSA-N 1 3 254.377 3.199 20 0 CGADHO CC1CC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000342812641 377811449 /nfs/dbraw/zinc/81/14/49/377811449.db2.gz BTWBVXPGNRPRRU-UHFFFAOYSA-N 1 3 288.435 3.048 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000261562959 377818520 /nfs/dbraw/zinc/81/85/20/377818520.db2.gz GQNHQAVWYVXBFS-KFWWJZLASA-N 1 3 250.430 3.077 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3csc4ccccc34)C[C@@H]12 ZINC000261631284 377829552 /nfs/dbraw/zinc/82/95/52/377829552.db2.gz WAKUGTJNCITBMJ-NILFDRSVSA-N 1 3 272.417 3.070 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261660150 377836808 /nfs/dbraw/zinc/83/68/08/377836808.db2.gz DWIYKBBYPUZICZ-BZSNNMDCSA-N 1 3 272.436 3.054 20 0 CGADHO Cc1ccc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000262456429 377899118 /nfs/dbraw/zinc/89/91/18/377899118.db2.gz IDNNBJNBDWFDCQ-KSZLIROESA-N 1 3 295.430 3.102 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261805633 377855689 /nfs/dbraw/zinc/85/56/89/377855689.db2.gz OKTFYWMKSINHIP-KRWDZBQOSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCOc2ccc3ccccc3c2)C1 ZINC000261819697 377857445 /nfs/dbraw/zinc/85/74/45/377857445.db2.gz APQDTDZCBDUCFY-YJBOKZPZSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000576004259 378006227 /nfs/dbraw/zinc/00/62/27/378006227.db2.gz RKGFKFDLDMZAKU-CQSZACIVSA-N 1 3 290.451 3.466 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698831 295270791 /nfs/dbraw/zinc/27/07/91/295270791.db2.gz BGUIEWLNBJLTEO-DOMZBBRYSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268995810 378168698 /nfs/dbraw/zinc/16/86/98/378168698.db2.gz KNXOGLZMNOZDEU-KGLIPLIRSA-N 1 3 271.408 3.226 20 0 CGADHO C[C@H]1CSC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695300 378184244 /nfs/dbraw/zinc/18/42/44/378184244.db2.gz ODGADTUNCRVLMM-YQFWSFKMSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@H]1CSC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695300 378184255 /nfs/dbraw/zinc/18/42/55/378184255.db2.gz ODGADTUNCRVLMM-YQFWSFKMSA-N 1 3 296.524 3.371 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000269989108 378291470 /nfs/dbraw/zinc/29/14/70/378291470.db2.gz UFPFOZOLPKNBSO-NEPJUHHUSA-N 1 3 284.856 3.160 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000269989108 378291476 /nfs/dbraw/zinc/29/14/76/378291476.db2.gz UFPFOZOLPKNBSO-NEPJUHHUSA-N 1 3 284.856 3.160 20 0 CGADHO CC[N@H+](Cc1ccc2c(c1)CNCC2)[C@H](C)C(C)C ZINC000583569850 378332520 /nfs/dbraw/zinc/33/25/20/378332520.db2.gz PXOPHWDDHCQFDQ-CQSZACIVSA-N 1 3 260.425 3.199 20 0 CGADHO CC[N@@H+](Cc1ccc2c(c1)CNCC2)[C@H](C)C(C)C ZINC000583569850 378332524 /nfs/dbraw/zinc/33/25/24/378332524.db2.gz PXOPHWDDHCQFDQ-CQSZACIVSA-N 1 3 260.425 3.199 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181774 378475172 /nfs/dbraw/zinc/47/51/72/378475172.db2.gz HXWJPZBGFYRCAR-YOEHRIQHSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181774 378475180 /nfs/dbraw/zinc/47/51/80/378475180.db2.gz HXWJPZBGFYRCAR-YOEHRIQHSA-N 1 3 285.435 3.330 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CCCc2ccccc2C1 ZINC000346171365 378489655 /nfs/dbraw/zinc/48/96/55/378489655.db2.gz RRHNMMPLAXIOOO-GOSISDBHSA-N 1 3 272.436 3.309 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CCCc2ccccc2C1 ZINC000346171365 378489662 /nfs/dbraw/zinc/48/96/62/378489662.db2.gz RRHNMMPLAXIOOO-GOSISDBHSA-N 1 3 272.436 3.309 20 0 CGADHO CN(C)[C@@H](CNc1cc[nH+]c2ccccc12)c1ccsc1 ZINC000346591077 378637683 /nfs/dbraw/zinc/63/76/83/378637683.db2.gz HFKIYFJSOLOFAI-KRWDZBQOSA-N 1 3 297.427 3.433 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346652737 378662718 /nfs/dbraw/zinc/66/27/18/378662718.db2.gz HXVHCTLQULUKIY-OLZOCXBDSA-N 1 3 272.392 3.164 20 0 CGADHO C[N@H+]1CC=C(CN[C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000272579902 378670274 /nfs/dbraw/zinc/67/02/74/378670274.db2.gz UYZXFNBMWWQJMJ-HNNXBMFYSA-N 1 3 274.408 3.145 20 0 CGADHO C[N@@H+]1CC=C(CN[C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000272579902 378670278 /nfs/dbraw/zinc/67/02/78/378670278.db2.gz UYZXFNBMWWQJMJ-HNNXBMFYSA-N 1 3 274.408 3.145 20 0 CGADHO C[NH+](C)C[C@H]1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638076780 378688353 /nfs/dbraw/zinc/68/83/53/378688353.db2.gz MGQKBEPONANTEC-KBAYOESNSA-N 1 3 272.436 3.064 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc2cccnc12 ZINC000346817811 378690831 /nfs/dbraw/zinc/69/08/31/378690831.db2.gz GCNYRHJIEHCXSD-BZSNNMDCSA-N 1 3 295.430 3.102 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2(C(C)C)CC2)C1 ZINC000638124277 378709565 /nfs/dbraw/zinc/70/95/65/378709565.db2.gz VGUKMGFVJPYIJN-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638124277 378709571 /nfs/dbraw/zinc/70/95/71/378709571.db2.gz VGUKMGFVJPYIJN-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC2(C(C)C)CC2)C1 ZINC000638124277 378709576 /nfs/dbraw/zinc/70/95/76/378709576.db2.gz VGUKMGFVJPYIJN-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133941 378713247 /nfs/dbraw/zinc/71/32/47/378713247.db2.gz LSUDYHHUMYMDIJ-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133941 378713251 /nfs/dbraw/zinc/71/32/51/378713251.db2.gz LSUDYHHUMYMDIJ-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133941 378713256 /nfs/dbraw/zinc/71/32/56/378713256.db2.gz LSUDYHHUMYMDIJ-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133941 378713260 /nfs/dbraw/zinc/71/32/60/378713260.db2.gz LSUDYHHUMYMDIJ-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC1(F)F ZINC000638455220 378810133 /nfs/dbraw/zinc/81/01/33/378810133.db2.gz SSBZOTFIFBBLJZ-IUODEOHRSA-N 1 3 286.410 3.274 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CC1(F)F ZINC000638455220 378810139 /nfs/dbraw/zinc/81/01/39/378810139.db2.gz SSBZOTFIFBBLJZ-IUODEOHRSA-N 1 3 286.410 3.274 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@H]2CCC[NH2+]C2)s1 ZINC000346827149 218027460 /nfs/dbraw/zinc/02/74/60/218027460.db2.gz FXNJHBPEKBZKAD-UONOGXRCSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)s1 ZINC000346827149 218027462 /nfs/dbraw/zinc/02/74/62/218027462.db2.gz FXNJHBPEKBZKAD-UONOGXRCSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)s1 ZINC000346827149 218027464 /nfs/dbraw/zinc/02/74/64/218027464.db2.gz FXNJHBPEKBZKAD-UONOGXRCSA-N 1 3 264.438 3.193 20 0 CGADHO CC(C)O[C@H](CNC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000638589745 378843684 /nfs/dbraw/zinc/84/36/84/378843684.db2.gz XUHSTZGSEYOHOT-SJLPKXTDSA-N 1 3 290.451 3.084 20 0 CGADHO CC(C)O[C@H](CNC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000638589745 378843690 /nfs/dbraw/zinc/84/36/90/378843690.db2.gz XUHSTZGSEYOHOT-SJLPKXTDSA-N 1 3 290.451 3.084 20 0 CGADHO CO[C@H](CNCc1ccccc1C[N@H+](C)C(C)C)C1CC1 ZINC000638853462 378937251 /nfs/dbraw/zinc/93/72/51/378937251.db2.gz HAZMVMLRXWCUOV-GOSISDBHSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@H](CNCc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000638853462 378937253 /nfs/dbraw/zinc/93/72/53/378937253.db2.gz HAZMVMLRXWCUOV-GOSISDBHSA-N 1 3 290.451 3.041 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000638863116 378939801 /nfs/dbraw/zinc/93/98/01/378939801.db2.gz JYMXZSCPDLBQEG-CYBMUJFWSA-N 1 3 279.428 3.152 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(OCCN(C)C)cc1 ZINC000348324761 378909898 /nfs/dbraw/zinc/90/98/98/378909898.db2.gz LDQJEIHMNJPDMT-BPUTZDHNSA-N 1 3 294.414 3.168 20 0 CGADHO CCO[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000869 218087625 /nfs/dbraw/zinc/08/76/25/218087625.db2.gz ZQPDVCOULCLAOH-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCNC2)C12CCCCC2 ZINC000347000869 218087626 /nfs/dbraw/zinc/08/76/26/218087626.db2.gz ZQPDVCOULCLAOH-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCNC2)C12CCCCC2 ZINC000347000869 218087628 /nfs/dbraw/zinc/08/76/28/218087628.db2.gz ZQPDVCOULCLAOH-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CSc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275303971 378955511 /nfs/dbraw/zinc/95/55/11/378955511.db2.gz QOZKLYDOQVTRIM-XJKSGUPXSA-N 1 3 278.465 3.181 20 0 CGADHO CSc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275303971 378955518 /nfs/dbraw/zinc/95/55/18/378955518.db2.gz QOZKLYDOQVTRIM-XJKSGUPXSA-N 1 3 278.465 3.181 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCOC1CCC1 ZINC000347185305 218147863 /nfs/dbraw/zinc/14/78/63/218147863.db2.gz CKCMFZMXGKGXGN-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000347185305 218147864 /nfs/dbraw/zinc/14/78/64/218147864.db2.gz CKCMFZMXGKGXGN-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CCC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccsc1 ZINC000276902755 379017787 /nfs/dbraw/zinc/01/77/87/379017787.db2.gz JIZGFEGRHHUOGC-HNNXBMFYSA-N 1 3 264.438 3.441 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)CCCCC1 ZINC000421819593 284748146 /nfs/dbraw/zinc/74/81/46/284748146.db2.gz HXGDIXPUHCPNKW-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240486 379108055 /nfs/dbraw/zinc/10/80/55/379108055.db2.gz ZSKJMIOXEVZSRN-ZFWWWQNUSA-N 1 3 294.389 3.427 20 0 CGADHO C[C@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240486 379108058 /nfs/dbraw/zinc/10/80/58/379108058.db2.gz ZSKJMIOXEVZSRN-ZFWWWQNUSA-N 1 3 294.389 3.427 20 0 CGADHO CC(C)C1(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000639337389 379292557 /nfs/dbraw/zinc/29/25/57/379292557.db2.gz MMUYFARCUJFCQG-INIZCTEOSA-N 1 3 264.457 3.134 20 0 CGADHO CN(C[C@H]1CCCC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568983344 322229826 /nfs/dbraw/zinc/22/98/26/322229826.db2.gz HGIUCRPCZUDQHL-LSVZVQIISA-N 1 3 264.457 3.418 20 0 CGADHO CC1([NH+]2CCCC2)CCN(C[C@H]2CC=CCC2)CC1 ZINC000639375320 379330991 /nfs/dbraw/zinc/33/09/91/379330991.db2.gz TWAGOLRHRHURDJ-INIZCTEOSA-N 1 3 262.441 3.293 20 0 CGADHO Cc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000374326924 379421058 /nfs/dbraw/zinc/42/10/58/379421058.db2.gz ULMFSMMTPLDFCH-UHFFFAOYSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000374326924 379421070 /nfs/dbraw/zinc/42/10/70/379421070.db2.gz ULMFSMMTPLDFCH-UHFFFAOYSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccncc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000279840800 379531872 /nfs/dbraw/zinc/53/18/72/379531872.db2.gz HOTMCAZSDVVGOF-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1ccncc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000279840800 379531881 /nfs/dbraw/zinc/53/18/81/379531881.db2.gz HOTMCAZSDVVGOF-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757339 379571636 /nfs/dbraw/zinc/57/16/36/379571636.db2.gz GLUDIWMMERPTFR-CYBMUJFWSA-N 1 3 294.389 3.444 20 0 CGADHO Cc1cc(CN2CCCC[C@@H]2CC[NH3+])cc2cccnc12 ZINC000352540502 379848245 /nfs/dbraw/zinc/84/82/45/379848245.db2.gz LYNBAESHYKZVBI-QGZVFWFLSA-N 1 3 283.419 3.247 20 0 CGADHO c1ccc(C2CC(C[NH2+][C@H]3CCN4CCC[C@H]4C3)C2)cc1 ZINC000283391335 380060387 /nfs/dbraw/zinc/06/03/87/380060387.db2.gz PPNHZTSGBNJWHH-FYOYPEGLSA-N 1 3 284.447 3.397 20 0 CGADHO CSc1ccc(CNCCCCC[NH+]2CCCC2)o1 ZINC000641757499 380082072 /nfs/dbraw/zinc/08/20/72/380082072.db2.gz XANHPXZRDLYSGK-UHFFFAOYSA-N 1 3 282.453 3.357 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283172777 380043113 /nfs/dbraw/zinc/04/31/13/380043113.db2.gz JIHRFMLEDBNFBV-WBAXXEDZSA-N 1 3 270.420 3.030 20 0 CGADHO CN1CCC(Oc2ccc(C[NH2+]CC(C)(C)C)cc2)CC1 ZINC000284154385 380131039 /nfs/dbraw/zinc/13/10/39/380131039.db2.gz VWNPPSZQEBCQFS-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1ccnc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000286321287 380194704 /nfs/dbraw/zinc/19/47/04/380194704.db2.gz XOEGNFDXHMAAON-HOCLYGCPSA-N 1 3 277.456 3.407 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+][C@H]2CCCNCC2)C2CC2)c1 ZINC000643464760 380313344 /nfs/dbraw/zinc/31/33/44/380313344.db2.gz FVXLCAKTLBOURR-ZWKOTPCHSA-N 1 3 272.436 3.048 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@@H](C)[C@@H]1OC ZINC000643547903 380363397 /nfs/dbraw/zinc/36/33/97/380363397.db2.gz KRCPUMKQIZWGRA-FPCVCCKLSA-N 1 3 294.483 3.090 20 0 CGADHO C[C@H]1C[C@@H](CN(C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688379 380375413 /nfs/dbraw/zinc/37/54/13/380375413.db2.gz DCMDZIBNEROYIM-RYUDHWBXSA-N 1 3 284.806 3.299 20 0 CGADHO CC(C)c1ccc(CCN(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414727846 380389118 /nfs/dbraw/zinc/38/91/18/380389118.db2.gz BFUKGNLYKGFLSX-GOSISDBHSA-N 1 3 274.452 3.426 20 0 CGADHO CC(C)c1ccc(CC[N@H+](C)[C@@H]2CCCNCC2)cc1 ZINC000414727846 380389122 /nfs/dbraw/zinc/38/91/22/380389122.db2.gz BFUKGNLYKGFLSX-GOSISDBHSA-N 1 3 274.452 3.426 20 0 CGADHO CC(C)c1ccc(CC[N@@H+](C)[C@@H]2CCCNCC2)cc1 ZINC000414727846 380389127 /nfs/dbraw/zinc/38/91/27/380389127.db2.gz BFUKGNLYKGFLSX-GOSISDBHSA-N 1 3 274.452 3.426 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526097 380340999 /nfs/dbraw/zinc/34/09/99/380340999.db2.gz PDUZYDMVSNLZSF-KBPBESRZSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)=CCOc1ccc(CC[C@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643528135 380344846 /nfs/dbraw/zinc/34/48/46/380344846.db2.gz DGHNVXFIALSGSH-HOTGVXAUSA-N 1 3 290.451 3.290 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643534084 380348081 /nfs/dbraw/zinc/34/80/81/380348081.db2.gz LGWDUVDXYJCVMN-NHYWBVRUSA-N 1 3 294.826 3.141 20 0 CGADHO Cc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000354165132 380351349 /nfs/dbraw/zinc/35/13/49/380351349.db2.gz FAZLAOWSJJCMLM-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354165132 380351353 /nfs/dbraw/zinc/35/13/53/380351353.db2.gz FAZLAOWSJJCMLM-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000643536306 380351956 /nfs/dbraw/zinc/35/19/56/380351956.db2.gz SRKKHUFIJREUMU-GUYCJALGSA-N 1 3 281.403 3.028 20 0 CGADHO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414663076 380358753 /nfs/dbraw/zinc/35/87/53/380358753.db2.gz AQUCTLICEVOKOG-KCQAQPDRSA-N 1 3 298.352 3.183 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000414812613 380423693 /nfs/dbraw/zinc/42/36/93/380423693.db2.gz XNTBUKCWFBQIES-PVAVHDDUSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@H]([NH2+]CCCCCOc1ccccc1)[C@@H]1CCCNC1 ZINC000414820464 380432697 /nfs/dbraw/zinc/43/26/97/380432697.db2.gz JMICGGMNUSLOOX-DLBZAZTESA-N 1 3 290.451 3.213 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829948 380437439 /nfs/dbraw/zinc/43/74/39/380437439.db2.gz BRDNWOMQCCOGTK-NEPJUHHUSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829948 380437447 /nfs/dbraw/zinc/43/74/47/380437447.db2.gz BRDNWOMQCCOGTK-NEPJUHHUSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000414832593 380440445 /nfs/dbraw/zinc/44/04/45/380440445.db2.gz FFUHVCFSTHACBW-LSDHHAIUSA-N 1 3 262.441 3.188 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(C)(C)c1ccccc1 ZINC000414832593 380440449 /nfs/dbraw/zinc/44/04/49/380440449.db2.gz FFUHVCFSTHACBW-LSDHHAIUSA-N 1 3 262.441 3.188 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]CC1(N)CCCCC1 ZINC000414845993 380449550 /nfs/dbraw/zinc/44/95/50/380449550.db2.gz RSKIMPNYWIYJGL-CYBMUJFWSA-N 1 3 264.388 3.008 20 0 CGADHO C[C@H](Cc1ccccc1F)NCC1([NH3+])CCCCC1 ZINC000414845993 380449554 /nfs/dbraw/zinc/44/95/54/380449554.db2.gz RSKIMPNYWIYJGL-CYBMUJFWSA-N 1 3 264.388 3.008 20 0 CGADHO Clc1cccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774637 380399207 /nfs/dbraw/zinc/39/92/07/380399207.db2.gz FOALQLOLNXWIKD-CABCVRRESA-N 1 3 278.827 3.162 20 0 CGADHO CC(C)Oc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414792312 380407270 /nfs/dbraw/zinc/40/72/70/380407270.db2.gz CCJNOPWXCYHDCX-NVXWUHKLSA-N 1 3 276.424 3.081 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000414794197 380408702 /nfs/dbraw/zinc/40/87/02/380408702.db2.gz FJOZEAPONUDPEK-JQHSSLGASA-N 1 3 274.452 3.423 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(C)CCCNC2)C1 ZINC000414916528 380487370 /nfs/dbraw/zinc/48/73/70/380487370.db2.gz PWHIYRHUFPHOLS-BZUAXINKSA-N 1 3 252.446 3.182 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000414927990 380491373 /nfs/dbraw/zinc/49/13/73/380491373.db2.gz PSYFEAKSRJFKMC-MNOVXSKESA-N 1 3 273.207 3.353 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000414927786 380491890 /nfs/dbraw/zinc/49/18/90/380491890.db2.gz POQVNHPWEVLKKL-MHORFTMASA-N 1 3 272.436 3.257 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000414925143 380492137 /nfs/dbraw/zinc/49/21/37/380492137.db2.gz LAUCYOMTFIBEBX-OLZOCXBDSA-N 1 3 297.240 3.117 20 0 CGADHO CC(C)([NH3+])CNCC1(c2ccc(Cl)cc2)CCC1 ZINC000415083132 380507756 /nfs/dbraw/zinc/50/77/56/380507756.db2.gz PGKXQZSPLJJBFV-UHFFFAOYSA-N 1 3 266.816 3.089 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](C)CN ZINC000414880421 380471783 /nfs/dbraw/zinc/47/17/83/380471783.db2.gz QRATVVNWMIKMKI-CJNGLKHVSA-N 1 3 282.859 3.482 20 0 CGADHO Cc1cc(C[NH2+]CC2(N)CCC2)ccc1Oc1cccnc1 ZINC000414879739 380472393 /nfs/dbraw/zinc/47/23/93/380472393.db2.gz ITSFNAWKCXSSCB-UHFFFAOYSA-N 1 3 297.402 3.153 20 0 CGADHO CCCCCOc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414895907 380477417 /nfs/dbraw/zinc/47/74/17/380477417.db2.gz NTMFOFAWCKQECW-KRWDZBQOSA-N 1 3 276.424 3.083 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899549 380479461 /nfs/dbraw/zinc/47/94/61/380479461.db2.gz CMCCJKVXJNCXNF-RHSMWYFYSA-N 1 3 292.492 3.319 20 0 CGADHO CSc1ccccc1C[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414899549 380479462 /nfs/dbraw/zinc/47/94/62/380479462.db2.gz CMCCJKVXJNCXNF-RHSMWYFYSA-N 1 3 292.492 3.319 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414900574 380480819 /nfs/dbraw/zinc/48/08/19/380480819.db2.gz DXJGSDDEKJELPF-YOEHRIQHSA-N 1 3 278.415 3.126 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCSCc2ccccc2)CC1 ZINC000279122699 194293145 /nfs/dbraw/zinc/29/31/45/194293145.db2.gz UPMDRDFETSLFIX-KRWDZBQOSA-N 1 3 292.492 3.336 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCSCc2ccccc2)CC1 ZINC000279122699 194293146 /nfs/dbraw/zinc/29/31/46/194293146.db2.gz UPMDRDFETSLFIX-KRWDZBQOSA-N 1 3 292.492 3.336 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201513 380622808 /nfs/dbraw/zinc/62/28/08/380622808.db2.gz BDQRYQOSQXAMHY-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201513 380622813 /nfs/dbraw/zinc/62/28/13/380622813.db2.gz BDQRYQOSQXAMHY-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201513 380622818 /nfs/dbraw/zinc/62/28/18/380622818.db2.gz BDQRYQOSQXAMHY-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201513 380622822 /nfs/dbraw/zinc/62/28/22/380622822.db2.gz BDQRYQOSQXAMHY-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000418065611 380699293 /nfs/dbraw/zinc/69/92/93/380699293.db2.gz KDNOSOUVKJZLKM-UFYCRDLUSA-N 1 3 298.474 3.454 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000418065611 380699295 /nfs/dbraw/zinc/69/92/95/380699295.db2.gz KDNOSOUVKJZLKM-UFYCRDLUSA-N 1 3 298.474 3.454 20 0 CGADHO Fc1ccc2c(c1)[C@@H](N1CCC([C@@H]3CCC[NH2+]3)CC1)CC2 ZINC000420331191 380848320 /nfs/dbraw/zinc/84/83/20/380848320.db2.gz DAPLWGUWHGEWPD-ROUUACIJSA-N 1 3 288.410 3.277 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357666 380851775 /nfs/dbraw/zinc/85/17/75/380851775.db2.gz DUTBTUGJENZNJQ-ZWKOTPCHSA-N 1 3 270.420 3.140 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1F ZINC000356835174 380891451 /nfs/dbraw/zinc/89/14/51/380891451.db2.gz CHIXCNADVMXZQS-HIFRSBDPSA-N 1 3 294.414 3.359 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2c1C ZINC000334781890 207067383 /nfs/dbraw/zinc/06/73/83/207067383.db2.gz SNTAPBXPDVDSTQ-SJKOYZFVSA-N 1 3 285.435 3.215 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000334781890 207067384 /nfs/dbraw/zinc/06/73/84/207067384.db2.gz SNTAPBXPDVDSTQ-SJKOYZFVSA-N 1 3 285.435 3.215 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000334884635 207242958 /nfs/dbraw/zinc/24/29/58/207242958.db2.gz KUEHHOPQECMZQN-BLLLJJGKSA-N 1 3 285.435 3.357 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000334884635 207242962 /nfs/dbraw/zinc/24/29/62/207242962.db2.gz KUEHHOPQECMZQN-BLLLJJGKSA-N 1 3 285.435 3.357 20 0 CGADHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](CN)C1 ZINC000224202435 542289528 /nfs/dbraw/zinc/28/95/28/542289528.db2.gz XRQDPKPKQNRQTP-KBPBESRZSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CN)C1 ZINC000224202435 542289530 /nfs/dbraw/zinc/28/95/30/542289530.db2.gz XRQDPKPKQNRQTP-KBPBESRZSA-N 1 3 254.377 3.181 20 0 CGADHO COC1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000361551240 381798653 /nfs/dbraw/zinc/79/86/53/381798653.db2.gz IQXIMINSXJOZRW-QGZVFWFLSA-N 1 3 294.483 3.286 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000223630671 542289574 /nfs/dbraw/zinc/28/95/74/542289574.db2.gz BUWWUFABLQKNRW-CQSZACIVSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2ncsc2c1 ZINC000362572326 382062941 /nfs/dbraw/zinc/06/29/41/382062941.db2.gz GZXPAKOCDSVBTM-JSGCOSHPSA-N 1 3 289.448 3.431 20 0 CGADHO c1cncc([C@H]2CCC[C@@H]([NH2+]CCCN3CCCC3)C2)c1 ZINC000367042910 382331323 /nfs/dbraw/zinc/33/13/23/382331323.db2.gz LNHWJSNPQWQSFB-FUHWJXTLSA-N 1 3 287.451 3.183 20 0 CGADHO c1ccc(CCCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415554 542349478 /nfs/dbraw/zinc/34/94/78/542349478.db2.gz LRJCWWRIHWOPER-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO CCc1cccc(Cl)c1CN1CCC(C[NH3+])CC1 ZINC000261954041 542355628 /nfs/dbraw/zinc/35/56/28/542355628.db2.gz OJLDZHMNHQFYOG-UHFFFAOYSA-N 1 3 266.816 3.073 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423360562 533060862 /nfs/dbraw/zinc/06/08/62/533060862.db2.gz FTFIIBLVZZGPJL-XQQFMLRXSA-N 1 3 264.438 3.329 20 0 CGADHO Cc1ccncc1CCC[NH2+]CCCN1CCCC[C@@H]1C ZINC000289341333 197303361 /nfs/dbraw/zinc/30/33/61/197303361.db2.gz WDOBTNKVGCSGIV-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccncc1CCCNCCC[N@H+]1CCCC[C@@H]1C ZINC000289341333 197303362 /nfs/dbraw/zinc/30/33/62/197303362.db2.gz WDOBTNKVGCSGIV-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccncc1CCCNCCC[N@@H+]1CCCC[C@@H]1C ZINC000289341333 197303364 /nfs/dbraw/zinc/30/33/64/197303364.db2.gz WDOBTNKVGCSGIV-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO COc1ccc([C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C(C)C)cc1 ZINC000423385574 533199130 /nfs/dbraw/zinc/19/91/30/533199130.db2.gz RCSAOUNSMNFFJJ-FRFSOERESA-N 1 3 276.424 3.122 20 0 CGADHO C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C1CCCCC1 ZINC000483265590 533363931 /nfs/dbraw/zinc/36/39/31/533363931.db2.gz UHCWTXVDLIRUFN-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)C1CCCCC1 ZINC000483265590 533363934 /nfs/dbraw/zinc/36/39/34/533363934.db2.gz UHCWTXVDLIRUFN-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000483265590 533363936 /nfs/dbraw/zinc/36/39/36/533363936.db2.gz UHCWTXVDLIRUFN-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000423398354 533525378 /nfs/dbraw/zinc/52/53/78/533525378.db2.gz VHCLOAWTNVNHLW-NQBHXWOUSA-N 1 3 264.438 3.028 20 0 CGADHO CSC1(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCC1 ZINC000368218212 533483692 /nfs/dbraw/zinc/48/36/92/533483692.db2.gz WGXJLVLJIRYXIL-HNNXBMFYSA-N 1 3 282.497 3.080 20 0 CGADHO CSC1(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCC1 ZINC000368218212 533483699 /nfs/dbraw/zinc/48/36/99/533483699.db2.gz WGXJLVLJIRYXIL-HNNXBMFYSA-N 1 3 282.497 3.080 20 0 CGADHO CSC1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000368218212 533483701 /nfs/dbraw/zinc/48/37/01/533483701.db2.gz WGXJLVLJIRYXIL-HNNXBMFYSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423394562 533657150 /nfs/dbraw/zinc/65/71/50/533657150.db2.gz ZXWIWQZQJYRYDD-YWPYICTPSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423394562 533657162 /nfs/dbraw/zinc/65/71/62/533657162.db2.gz ZXWIWQZQJYRYDD-YWPYICTPSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414933400 542641123 /nfs/dbraw/zinc/64/11/23/542641123.db2.gz WVQNFSHFDJTREK-KCXAZCMYSA-N 1 3 264.388 3.006 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)CN1CCCC1 ZINC000069382908 392173106 /nfs/dbraw/zinc/17/31/06/392173106.db2.gz RWQXXFGBTXTZNS-RDBSUJKOSA-N 1 3 292.389 3.429 20 0 CGADHO COCC1(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CCC1 ZINC000361333997 392278235 /nfs/dbraw/zinc/27/82/35/392278235.db2.gz DCKPDPVMGNSBBK-HOTGVXAUSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301270745 392587543 /nfs/dbraw/zinc/58/75/43/392587543.db2.gz QSOQUOKWQAJFMT-CQSZACIVSA-N 1 3 269.392 3.074 20 0 CGADHO CC(C)C(C[NH2+]C[C@H]1CCN(C(C)C)C1)C(C)C ZINC000302619596 392617689 /nfs/dbraw/zinc/61/76/89/392617689.db2.gz ZSTAHGSMYWKIKP-OAHLLOKOSA-N 1 3 254.462 3.235 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000156194086 392546490 /nfs/dbraw/zinc/54/64/90/392546490.db2.gz WMPOLWNSZSKILJ-HLLBOEOZSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000156194086 392546495 /nfs/dbraw/zinc/54/64/95/392546495.db2.gz WMPOLWNSZSKILJ-HLLBOEOZSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000178040096 392670160 /nfs/dbraw/zinc/67/01/60/392670160.db2.gz VZRYPVDUXWITHF-ZNMIVQPWSA-N 1 3 296.480 3.288 20 0 CGADHO CC[C@@H]1CN(CCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937055 392837844 /nfs/dbraw/zinc/83/78/44/392837844.db2.gz QDESKBPWIVNOLR-ZBFHGGJFSA-N 1 3 280.843 3.332 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccnc1 ZINC000185650488 392773900 /nfs/dbraw/zinc/77/39/00/392773900.db2.gz JEQVWEJNLSAXOK-IKGGRYGDSA-N 1 3 275.440 3.385 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cc(F)cc(F)c1 ZINC000647803348 392804915 /nfs/dbraw/zinc/80/49/15/392804915.db2.gz XKLFIWFOOHILPA-LLVKDONJSA-N 1 3 276.330 3.274 20 0 CGADHO CN(C)[C@H](CNc1[nH+]ccc2[nH]ccc21)c1ccsc1 ZINC000647854717 392815586 /nfs/dbraw/zinc/81/55/86/392815586.db2.gz BOFNAXPWGWBVTG-CQSZACIVSA-N 1 3 286.404 3.339 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2N(C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647889331 392827497 /nfs/dbraw/zinc/82/74/97/392827497.db2.gz HXYWCFRNLUMWBX-RYQLBKOJSA-N 1 3 272.436 3.172 20 0 CGADHO Fc1cccc(CCCN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902929 392828762 /nfs/dbraw/zinc/82/87/62/392828762.db2.gz DPQCAEZVTDWYJT-FUHWJXTLSA-N 1 3 290.426 3.222 20 0 CGADHO Cc1cc(N2C[C@H](C)N(C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000338785002 392927241 /nfs/dbraw/zinc/92/72/41/392927241.db2.gz BDWJSPOCFRSDRT-KBPBESRZSA-N 1 3 269.392 3.072 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000392218077 392930200 /nfs/dbraw/zinc/93/02/00/392930200.db2.gz WPTYEJLICPVNGN-OAHLLOKOSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H](CCN1CC[C@@H](C2CC2)C1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491242813 542717127 /nfs/dbraw/zinc/71/71/27/542717127.db2.gz IWDRQSHIJIVOBA-ZTFGCOKTSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CCN1CC[C@@H](C2CC2)C1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491242813 542717134 /nfs/dbraw/zinc/71/71/34/542717134.db2.gz IWDRQSHIJIVOBA-ZTFGCOKTSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@H](C2CC2)C1)N1CC[C@@H](C2CC2)C1 ZINC000491242813 542717138 /nfs/dbraw/zinc/71/71/38/542717138.db2.gz IWDRQSHIJIVOBA-ZTFGCOKTSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@H](C2CC2)C1)N1CC[C@@H](C2CC2)C1 ZINC000491242813 542717142 /nfs/dbraw/zinc/71/71/42/542717142.db2.gz IWDRQSHIJIVOBA-ZTFGCOKTSA-N 1 3 276.468 3.229 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648400493 392999608 /nfs/dbraw/zinc/99/96/08/392999608.db2.gz YMXQATUNNGETOL-MUJYYYPQSA-N 1 3 270.461 3.044 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648400493 392999611 /nfs/dbraw/zinc/99/96/11/392999611.db2.gz YMXQATUNNGETOL-MUJYYYPQSA-N 1 3 270.461 3.044 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(Cl)c2Cl)C1 ZINC000415035602 393104365 /nfs/dbraw/zinc/10/43/65/393104365.db2.gz KXVXLGNAFFPIJQ-APPZFPTMSA-N 1 3 279.236 3.272 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@H]1N ZINC000414654634 393050918 /nfs/dbraw/zinc/05/09/18/393050918.db2.gz GHUUIQXYSQWGED-VDHUWJSZSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@H]1N ZINC000414654634 393050923 /nfs/dbraw/zinc/05/09/23/393050923.db2.gz GHUUIQXYSQWGED-VDHUWJSZSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1CN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000414654634 393050930 /nfs/dbraw/zinc/05/09/30/393050930.db2.gz GHUUIQXYSQWGED-VDHUWJSZSA-N 1 3 272.436 3.166 20 0 CGADHO Clc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778507 393053969 /nfs/dbraw/zinc/05/39/69/393053969.db2.gz IYLHTZICZOTSRO-HUUCEWRRSA-N 1 3 278.827 3.162 20 0 CGADHO C[C@@H](CCC1CCCCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414944581 393057741 /nfs/dbraw/zinc/05/77/41/393057741.db2.gz HBBXNAUGQVWHQN-SQWLQELKSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415038232 393106989 /nfs/dbraw/zinc/10/69/89/393106989.db2.gz HUESOZKICWXJNL-ZWKOTPCHSA-N 1 3 272.436 3.267 20 0 CGADHO CCc1cccc(F)c1CNCCC[C@H]1CCC[NH2+]1 ZINC000414958839 393064989 /nfs/dbraw/zinc/06/49/89/393064989.db2.gz DPRFPJVRRSNJIZ-AWEZNQCLSA-N 1 3 264.388 3.010 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC000414971485 393072570 /nfs/dbraw/zinc/07/25/70/393072570.db2.gz LJLUMGJAXNNDMZ-MRXNPFEDSA-N 1 3 274.452 3.462 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415047852 393112954 /nfs/dbraw/zinc/11/29/54/393112954.db2.gz WJRNRNWAVCFGFM-SCZZXKLOSA-N 1 3 291.197 3.350 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000415049693 393113416 /nfs/dbraw/zinc/11/34/16/393113416.db2.gz XUNRYNTYBAMWLS-CABZTGNLSA-N 1 3 290.304 3.062 20 0 CGADHO NC[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCC1 ZINC000415068888 393126225 /nfs/dbraw/zinc/12/62/25/393126225.db2.gz RQBOFSRCSVHZOV-OAHLLOKOSA-N 1 3 293.480 3.408 20 0 CGADHO C[C@@]1(CNCCc2csc3ccccc23)CC[NH2+]C1 ZINC000415079954 393133677 /nfs/dbraw/zinc/13/36/77/393133677.db2.gz IXRUAEQIKKHDOO-INIZCTEOSA-N 1 3 274.433 3.033 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@@H]2N[C@H]2CCC[NH2+]C2)cc1 ZINC000415083343 393136194 /nfs/dbraw/zinc/13/61/94/393136194.db2.gz PUDYRELFTZSBQY-BZSNNMDCSA-N 1 3 272.436 3.130 20 0 CGADHO CCc1ccc(C(C)(C)CNC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000415085104 393139175 /nfs/dbraw/zinc/13/91/75/393139175.db2.gz QHAOKJICIFECTM-SFHVURJKSA-N 1 3 274.452 3.116 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1cc2ccccc2o1 ZINC000415092930 393143449 /nfs/dbraw/zinc/14/34/49/393143449.db2.gz UIZJMQNCIPKXTH-UKRRQHHQSA-N 1 3 272.392 3.096 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@H]2CCC[NH2+]CC2)c1 ZINC000415121696 393150687 /nfs/dbraw/zinc/15/06/87/393150687.db2.gz ZHLMTVDDKKTHHD-INIZCTEOSA-N 1 3 290.451 3.095 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415123220 393151153 /nfs/dbraw/zinc/15/11/53/393151153.db2.gz JFZITDIORJSUBL-KBPBESRZSA-N 1 3 286.419 3.412 20 0 CGADHO C[C@]1(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124122 393151526 /nfs/dbraw/zinc/15/15/26/393151526.db2.gz NXLDSDJAFLQTNJ-ROUUACIJSA-N 1 3 284.447 3.256 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000353822495 393233019 /nfs/dbraw/zinc/23/30/19/393233019.db2.gz WWZBVBUTYHDFJG-OFLPRAFFSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000353822495 393233026 /nfs/dbraw/zinc/23/30/26/393233026.db2.gz WWZBVBUTYHDFJG-OFLPRAFFSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000646215132 393241539 /nfs/dbraw/zinc/24/15/39/393241539.db2.gz CSKXFMUHEJIAEO-LNRIEFBSSA-N 1 3 276.399 3.130 20 0 CGADHO Cc1cc2c(cc1C)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423390404 292010384 /nfs/dbraw/zinc/01/03/84/292010384.db2.gz OSUOZSVBDAKFAX-YQQAZPJKSA-N 1 3 288.435 3.377 20 0 CGADHO Cc1cc2c(cc1C)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423390398 292010493 /nfs/dbraw/zinc/01/04/93/292010493.db2.gz OSUOZSVBDAKFAX-BFYDXBDKSA-N 1 3 288.435 3.377 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CCN(C)CC1)CCC2 ZINC000271862120 393256005 /nfs/dbraw/zinc/25/60/05/393256005.db2.gz KOKMXHDYZNAYJP-SFHVURJKSA-N 1 3 270.420 3.224 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000469796554 393216715 /nfs/dbraw/zinc/21/67/15/393216715.db2.gz GWLFLUQMDUNYIR-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000277305597 393307895 /nfs/dbraw/zinc/30/78/95/393307895.db2.gz UJLFENLQMCEMHN-WBVHZDCISA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000277305597 393307905 /nfs/dbraw/zinc/30/79/05/393307905.db2.gz UJLFENLQMCEMHN-WBVHZDCISA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](CN1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305597 393307910 /nfs/dbraw/zinc/30/79/10/393307910.db2.gz UJLFENLQMCEMHN-WBVHZDCISA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](CC[NH2+]C1CCC(F)(F)CC1)N1CCCCC1 ZINC000647200872 393383961 /nfs/dbraw/zinc/38/39/61/393383961.db2.gz KQQCDJZDNALBBQ-CYBMUJFWSA-N 1 3 274.399 3.418 20 0 CGADHO CC1(C)CC([NH2+]C2CCC(F)(F)CC2)CC(C)(C)N1 ZINC000647168245 393365573 /nfs/dbraw/zinc/36/55/73/393365573.db2.gz NOUWQYKVQGSLNV-UHFFFAOYSA-N 1 3 274.399 3.463 20 0 CGADHO Cc1csc(C(C)(C)NCCCC2CC[NH2+]CC2)n1 ZINC000649414527 393415910 /nfs/dbraw/zinc/41/59/10/393415910.db2.gz FEHBEEHVZBOEIL-UHFFFAOYSA-N 1 3 281.469 3.056 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)CN(C)C)CC3 ZINC000425942924 393445846 /nfs/dbraw/zinc/44/58/46/393445846.db2.gz ORQJKHZPPWKJHE-CABCVRRESA-N 1 3 299.462 3.121 20 0 CGADHO C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393556 393482046 /nfs/dbraw/zinc/48/20/46/393482046.db2.gz JXDGIOGPQNOIBJ-ZWKOTPCHSA-N 1 3 294.483 3.047 20 0 CGADHO CC(C)N(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420298356 393453762 /nfs/dbraw/zinc/45/37/62/393453762.db2.gz FBHJEPOTJSPZNH-AWEZNQCLSA-N 1 3 264.388 3.036 20 0 CGADHO Cc1cccc(C)c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420390964 393482717 /nfs/dbraw/zinc/48/27/17/393482717.db2.gz ICKBUYUMSAMDGD-SJLPKXTDSA-N 1 3 272.436 3.267 20 0 CGADHO CCc1nc(C)c([C@H](C)N(C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420316818 393463754 /nfs/dbraw/zinc/46/37/54/393463754.db2.gz MJOFPHIOCWGNGZ-QWHCGFSZSA-N 1 3 281.469 3.006 20 0 CGADHO Cc1cc(NC2CCC([NH+](C)C)CC2)c2ccccc2n1 ZINC000420632034 393512331 /nfs/dbraw/zinc/51/23/31/393512331.db2.gz WECONVPCORIPAI-UHFFFAOYSA-N 1 3 283.419 3.250 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2NC[C@H]2CCCC[NH2+]2)cc1 ZINC000666770345 542814428 /nfs/dbraw/zinc/81/44/28/542814428.db2.gz VVORZKNXOQXMQC-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO COc1ccc(CN[C@H]2CCC[NH2+]CC2)c2ccccc12 ZINC000666855230 542820728 /nfs/dbraw/zinc/82/07/28/542820728.db2.gz GPTZSMDWTUNWAW-HNNXBMFYSA-N 1 3 284.403 3.080 20 0 CGADHO [NH3+]C1CCN(CCCc2cccc3ccccc32)CC1 ZINC000430597796 393579956 /nfs/dbraw/zinc/57/99/56/393579956.db2.gz AVJWGLYHNRFHBT-UHFFFAOYSA-N 1 3 268.404 3.196 20 0 CGADHO CN(CCCc1ccsc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000360975824 393627198 /nfs/dbraw/zinc/62/71/98/393627198.db2.gz RPBUKJGQBGMNLA-INIZCTEOSA-N 1 3 280.481 3.487 20 0 CGADHO CN(CCCc1ccsc1)CC[C@@H]1CCCC[N@H+]1C ZINC000360975824 393627200 /nfs/dbraw/zinc/62/72/00/393627200.db2.gz RPBUKJGQBGMNLA-INIZCTEOSA-N 1 3 280.481 3.487 20 0 CGADHO C[C@@H](CCc1ccccc1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490040652 393628337 /nfs/dbraw/zinc/62/83/37/393628337.db2.gz QOJDMYPCQTURCF-PKOBYXMFSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1c(Cl)cccc1Cl ZINC000422729768 393640625 /nfs/dbraw/zinc/64/06/25/393640625.db2.gz CGPFXFAXYFZPME-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000422729768 393640629 /nfs/dbraw/zinc/64/06/29/393640629.db2.gz CGPFXFAXYFZPME-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO CC(C)c1ccc(CCCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422771749 393642885 /nfs/dbraw/zinc/64/28/85/393642885.db2.gz YMVDQPHVAYTQGU-SJORKVTESA-N 1 3 260.425 3.212 20 0 CGADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423049308 393649125 /nfs/dbraw/zinc/64/91/25/393649125.db2.gz JLERSPPIBOWSGS-OWSLCNJRSA-N 1 3 288.435 3.315 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423124138 393651621 /nfs/dbraw/zinc/65/16/21/393651621.db2.gz MCRNMDMAONEAEI-REWJHTLYSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N)c2cccc(Br)c21 ZINC000423281492 393659087 /nfs/dbraw/zinc/65/90/87/393659087.db2.gz BJYVTQVEDIBTEC-SKDRFNHKSA-N 1 3 297.240 3.324 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C[C@@H](N)C2CC2)c2ccccc21 ZINC000423312854 393661119 /nfs/dbraw/zinc/66/11/19/393661119.db2.gz DVYDVEXVKXPRRC-HZPDHXFCSA-N 1 3 258.409 3.126 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCC(F)(F)CC1 ZINC000423326565 393662326 /nfs/dbraw/zinc/66/23/26/393662326.db2.gz CMCPOILZTOWDNI-JSGCOSHPSA-N 1 3 274.399 3.180 20 0 CGADHO Cc1cccc2c1CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423387505 393665906 /nfs/dbraw/zinc/66/59/06/393665906.db2.gz MZIURETXUOUCHR-LJQANCHMSA-N 1 3 278.399 3.375 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423474585 393670059 /nfs/dbraw/zinc/67/00/59/393670059.db2.gz RKWFJSVBUFDIPR-HZMBPMFUSA-N 1 3 297.240 3.153 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000443434970 393757465 /nfs/dbraw/zinc/75/74/65/393757465.db2.gz FPZMMNDKXWIZFC-HOTGVXAUSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000443434970 393757469 /nfs/dbraw/zinc/75/74/69/393757469.db2.gz FPZMMNDKXWIZFC-HOTGVXAUSA-N 1 3 295.430 3.312 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CC(C)(C)C2)C1 ZINC000433144572 393690634 /nfs/dbraw/zinc/69/06/34/393690634.db2.gz MZZLWZXINOZMPG-OKILXGFUSA-N 1 3 252.446 3.133 20 0 CGADHO c1nc(-c2ccccc2)sc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952372 542828449 /nfs/dbraw/zinc/82/84/49/542828449.db2.gz TWJSXFPYKKORCH-OAHLLOKOSA-N 1 3 299.443 3.042 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCC[C@H]1C ZINC000449251730 393876852 /nfs/dbraw/zinc/87/68/52/393876852.db2.gz OUIQAMCBQIQQIA-YCPHGPKFSA-N 1 3 250.430 3.053 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995037 542832276 /nfs/dbraw/zinc/83/22/76/542832276.db2.gz AZFJUHMNAHNTBK-IRXDYDNUSA-N 1 3 272.436 3.272 20 0 CGADHO CC[C@H]1C[C@H](C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000503581445 393905071 /nfs/dbraw/zinc/90/50/71/393905071.db2.gz NPQJXFXDBNYMHE-HIFRSBDPSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995295 542832636 /nfs/dbraw/zinc/83/26/36/542832636.db2.gz JUTOIBCLXZRXFK-DZGCQCFKSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(F)cc1 ZINC000666993725 542832767 /nfs/dbraw/zinc/83/27/67/542832767.db2.gz GLTFFHZJRJHOSR-CJNGLKHVSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1 ZINC000666993725 542832770 /nfs/dbraw/zinc/83/27/70/542832770.db2.gz GLTFFHZJRJHOSR-CJNGLKHVSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995741 542833627 /nfs/dbraw/zinc/83/36/27/542833627.db2.gz YRXMBYQTUZUIBL-GOEBONIOSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H](CCc1ccccc1F)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995741 542833631 /nfs/dbraw/zinc/83/36/31/542833631.db2.gz YRXMBYQTUZUIBL-GOEBONIOSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995634 542833942 /nfs/dbraw/zinc/83/39/42/542833942.db2.gz UTFZXSMUMVRTET-BBRMVZONSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995634 542833943 /nfs/dbraw/zinc/83/39/43/542833943.db2.gz UTFZXSMUMVRTET-BBRMVZONSA-N 1 3 276.399 3.021 20 0 CGADHO C1CC1[C@@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000453059086 394156298 /nfs/dbraw/zinc/15/62/98/394156298.db2.gz HZBRBRYBIKFULW-ZACQAIPSSA-N 1 3 262.441 3.172 20 0 CGADHO Cc1ccc(F)c(CNCCCC[N@@H+](C)C2CC2)c1 ZINC000453605006 394256482 /nfs/dbraw/zinc/25/64/82/394256482.db2.gz ZKTSANILMVXBHF-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO Cc1ccc(F)c(CNCCCC[N@H+](C)C2CC2)c1 ZINC000453605006 394256485 /nfs/dbraw/zinc/25/64/85/394256485.db2.gz ZKTSANILMVXBHF-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228740 394212869 /nfs/dbraw/zinc/21/28/69/394212869.db2.gz BYMUYTSMDIHTQV-GOPGUHFVSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228740 394212875 /nfs/dbraw/zinc/21/28/75/394212875.db2.gz BYMUYTSMDIHTQV-GOPGUHFVSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453411375 394238538 /nfs/dbraw/zinc/23/85/38/394238538.db2.gz VLTPLWILXFDSQT-LBPRGKRZSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453411375 394238539 /nfs/dbraw/zinc/23/85/39/394238539.db2.gz VLTPLWILXFDSQT-LBPRGKRZSA-N 1 3 282.378 3.490 20 0 CGADHO CCc1ccc([C@H](C)NCCCC[N@H+](C)C2CC2)o1 ZINC000453416353 394240192 /nfs/dbraw/zinc/24/01/92/394240192.db2.gz XIFROECGRQNKNZ-ZDUSSCGKSA-N 1 3 264.413 3.367 20 0 CGADHO CCc1ccc([C@H](C)NCCCC[N@@H+](C)C2CC2)o1 ZINC000453416353 394240197 /nfs/dbraw/zinc/24/01/97/394240197.db2.gz XIFROECGRQNKNZ-ZDUSSCGKSA-N 1 3 264.413 3.367 20 0 CGADHO COc1ccc(CNCCCC[N@H+](C)C2CC2)c(Cl)c1 ZINC000453599454 394254426 /nfs/dbraw/zinc/25/44/26/394254426.db2.gz RHPGTUQRNOIBHK-UHFFFAOYSA-N 1 3 296.842 3.313 20 0 CGADHO COc1ccc(CNCCCC[N@@H+](C)C2CC2)c(Cl)c1 ZINC000453599454 394254432 /nfs/dbraw/zinc/25/44/32/394254432.db2.gz RHPGTUQRNOIBHK-UHFFFAOYSA-N 1 3 296.842 3.313 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670264865 543146976 /nfs/dbraw/zinc/14/69/76/543146976.db2.gz KTWKGJQKIPNZKJ-CABCVRRESA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670264865 543146979 /nfs/dbraw/zinc/14/69/79/543146979.db2.gz KTWKGJQKIPNZKJ-CABCVRRESA-N 1 3 254.462 3.332 20 0 CGADHO CC[C@@H]1CN(Cc2c(OC)ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000387608338 397690226 /nfs/dbraw/zinc/69/02/26/397690226.db2.gz XRIAYCHREZGTET-KDOFPFPSSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@H]1CCC[N@H+](CCCCOc2ccccc2)[C@@H]1CCN ZINC000650711859 397899205 /nfs/dbraw/zinc/89/92/05/397899205.db2.gz GQSQEHVVZVTZLG-FUHWJXTLSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@@H]1CCN ZINC000650711859 397899208 /nfs/dbraw/zinc/89/92/08/397899208.db2.gz GQSQEHVVZVTZLG-FUHWJXTLSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H](Cc1ccccc1F)NCc1ccc(C[NH3+])cc1F ZINC000650717210 397900999 /nfs/dbraw/zinc/90/09/99/397900999.db2.gz UYFUJNBTIYXESG-GFCCVEGCSA-N 1 3 290.357 3.144 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650717764 397901038 /nfs/dbraw/zinc/90/10/38/397901038.db2.gz LRBMUVWDWFEUGU-LBPRGKRZSA-N 1 3 290.357 3.144 20 0 CGADHO C[C@@H](Cc1ccsc1)NCc1ccc(C[NH3+])cc1F ZINC000650717446 397901066 /nfs/dbraw/zinc/90/10/66/397901066.db2.gz AQDNWUOPWYSYAV-NSHDSACASA-N 1 3 278.396 3.067 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccsc1 ZINC000650758518 397910334 /nfs/dbraw/zinc/91/03/34/397910334.db2.gz RDWHBOIMEAYKPR-LBPRGKRZSA-N 1 3 260.406 3.318 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000650757490 397910556 /nfs/dbraw/zinc/91/05/56/397910556.db2.gz YFFZDSMMLUPCBT-SFHVURJKSA-N 1 3 296.414 3.279 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@H]1CC[N@@H+]3CCC[C@H]3C1)N2 ZINC000650761398 397911968 /nfs/dbraw/zinc/91/19/68/397911968.db2.gz ZBLPMCQKNXOPKT-SQNIBIBYSA-N 1 3 299.462 3.020 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@H]1CC[N@H+]3CCC[C@H]3C1)N2 ZINC000650761398 397911972 /nfs/dbraw/zinc/91/19/72/397911972.db2.gz ZBLPMCQKNXOPKT-SQNIBIBYSA-N 1 3 299.462 3.020 20 0 CGADHO CCC[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC1CC1 ZINC000676412732 543396442 /nfs/dbraw/zinc/39/64/42/543396442.db2.gz AQQQCYCTJUNSQW-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CCC[N@H+](Cc1ccc(OCCN(C)C)cc1)CC1CC1 ZINC000676412732 543396444 /nfs/dbraw/zinc/39/64/44/543396444.db2.gz AQQQCYCTJUNSQW-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000677239982 543441398 /nfs/dbraw/zinc/44/13/98/543441398.db2.gz CFRGHJGBNJHAQY-KBRIMQKVSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000677239982 543441399 /nfs/dbraw/zinc/44/13/99/543441399.db2.gz CFRGHJGBNJHAQY-KBRIMQKVSA-N 1 3 276.399 3.146 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000678128160 543485560 /nfs/dbraw/zinc/48/55/60/543485560.db2.gz NTKCDBHANLMJTG-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000678128160 543485563 /nfs/dbraw/zinc/48/55/63/543485563.db2.gz NTKCDBHANLMJTG-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422998776 286048914 /nfs/dbraw/zinc/04/89/14/286048914.db2.gz DHTLJSAQZIMSSH-GVDBMIGSSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414823915 292215256 /nfs/dbraw/zinc/21/52/56/292215256.db2.gz FFPSNLFUNFIJCH-BPQIPLTHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000422709313 292247350 /nfs/dbraw/zinc/24/73/50/292247350.db2.gz KIKXADDCCHBVEV-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)c(C)c1 ZINC000422709313 292247351 /nfs/dbraw/zinc/24/73/51/292247351.db2.gz KIKXADDCCHBVEV-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2NCC1=CC[N@H+](C)CC1 ZINC000271875101 292336584 /nfs/dbraw/zinc/33/65/84/292336584.db2.gz NZEWEDKTPVAHRQ-KRWDZBQOSA-N 1 3 286.419 3.060 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2NCC1=CC[N@@H+](C)CC1 ZINC000271875101 292336585 /nfs/dbraw/zinc/33/65/85/292336585.db2.gz NZEWEDKTPVAHRQ-KRWDZBQOSA-N 1 3 286.419 3.060 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000423450541 298399962 /nfs/dbraw/zinc/39/99/62/298399962.db2.gz HKPBSGIQFPGTAY-CXAGYDPISA-N 1 3 287.382 3.027 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095082 165161195 /nfs/dbraw/zinc/16/11/95/165161195.db2.gz KJZFYMPRYZPMMZ-NVXWUHKLSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095082 165161198 /nfs/dbraw/zinc/16/11/98/165161198.db2.gz KJZFYMPRYZPMMZ-NVXWUHKLSA-N 1 3 260.425 3.157 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1(C)CC1 ZINC000089215328 165198226 /nfs/dbraw/zinc/19/82/26/165198226.db2.gz RXHVMUQMSRYTSS-AWEZNQCLSA-N 1 3 273.424 3.076 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000089148248 165198937 /nfs/dbraw/zinc/19/89/37/165198937.db2.gz AIYRIRSJAXVKRZ-JYSRZZCRSA-N 1 3 272.436 3.430 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000089148228 165199795 /nfs/dbraw/zinc/19/97/95/165199795.db2.gz VWWOSHMUZRDNEB-SUHUHFCYSA-N 1 3 297.240 3.227 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000089139232 165201169 /nfs/dbraw/zinc/20/11/69/165201169.db2.gz JTZGJSVFPINLQT-TZMCWYRMSA-N 1 3 286.341 3.313 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1Cl ZINC000090468971 165235004 /nfs/dbraw/zinc/23/50/04/165235004.db2.gz XEGXUMWIIHOYCX-LALPHHSUSA-N 1 3 296.842 3.167 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092195057 165286057 /nfs/dbraw/zinc/28/60/57/165286057.db2.gz RFYOYYQKMZCSTL-KGLIPLIRSA-N 1 3 281.419 3.382 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000092195059 165286828 /nfs/dbraw/zinc/28/68/28/165286828.db2.gz RFYOYYQKMZCSTL-ZIAGYGMSSA-N 1 3 281.419 3.382 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC ZINC000093212237 165325743 /nfs/dbraw/zinc/32/57/43/165325743.db2.gz XTXYPMRJVLNZQI-GUTXKFCHSA-N 1 3 262.397 3.006 20 0 CGADHO C[C@@H](c1ccc(Br)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093873090 165338244 /nfs/dbraw/zinc/33/82/44/165338244.db2.gz YPSXBODJHROGLY-NSHDSACASA-N 1 3 299.256 3.427 20 0 CGADHO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)CN ZINC000093873090 165338247 /nfs/dbraw/zinc/33/82/47/165338247.db2.gz YPSXBODJHROGLY-NSHDSACASA-N 1 3 299.256 3.427 20 0 CGADHO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)CN ZINC000093873090 165338248 /nfs/dbraw/zinc/33/82/48/165338248.db2.gz YPSXBODJHROGLY-NSHDSACASA-N 1 3 299.256 3.427 20 0 CGADHO C[N@H+](CCCN[C@@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368416 165350143 /nfs/dbraw/zinc/35/01/43/165350143.db2.gz KDRSYEHGBSUYSQ-MRXNPFEDSA-N 1 3 294.483 3.332 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368416 165350147 /nfs/dbraw/zinc/35/01/47/165350147.db2.gz KDRSYEHGBSUYSQ-MRXNPFEDSA-N 1 3 294.483 3.332 20 0 CGADHO CN(CCC[NH2+][C@@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368416 165350148 /nfs/dbraw/zinc/35/01/48/165350148.db2.gz KDRSYEHGBSUYSQ-MRXNPFEDSA-N 1 3 294.483 3.332 20 0 CGADHO C1CCC2(C1)CCCC[C@@H]2[NH2+][C@H]1CCCNCC1 ZINC000261562168 165819190 /nfs/dbraw/zinc/81/91/90/165819190.db2.gz GIIXMBWPQLWPTE-GJZGRUSLSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(F)cc1 ZINC000020128780 171015981 /nfs/dbraw/zinc/01/59/81/171015981.db2.gz SQSYDEIPMCHKDH-AWEZNQCLSA-N 1 3 264.388 3.352 20 0 CGADHO Cc1cccc(C[NH2+]CCCN2CCC(C)CC2)c1 ZINC000021504413 171307286 /nfs/dbraw/zinc/30/72/86/171307286.db2.gz SNZORTWSCLUEBI-UHFFFAOYSA-N 1 3 260.425 3.207 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2CCc3ccc(C)cc32)CC1 ZINC000126470528 287265516 /nfs/dbraw/zinc/26/55/16/287265516.db2.gz LMKHEUYQEBYNTO-SFHVURJKSA-N 1 3 272.436 3.446 20 0 CGADHO COC[C@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000126489276 287266181 /nfs/dbraw/zinc/26/61/81/287266181.db2.gz UHTHJXJRHWYLJF-INIZCTEOSA-N 1 3 290.451 3.043 20 0 CGADHO c1c2ccccc2oc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037408362 173184900 /nfs/dbraw/zinc/18/49/00/173184900.db2.gz MMOSYTPNIIFUAV-ZDUSSCGKSA-N 1 3 270.376 3.007 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000038041806 174043638 /nfs/dbraw/zinc/04/36/38/174043638.db2.gz RYHHSFLXUVGPAU-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO Fc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1Cl ZINC000043389761 175033576 /nfs/dbraw/zinc/03/35/76/175033576.db2.gz PQSNYQVKMYFIPT-GFCCVEGCSA-N 1 3 282.790 3.053 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@@H](C[NH3+])C1 ZINC000044528001 175192545 /nfs/dbraw/zinc/19/25/45/175192545.db2.gz BIQCICBSRAHNFV-AWEZNQCLSA-N 1 3 284.403 3.019 20 0 CGADHO Cc1cc(F)ccc1C[NH2+]CCCN1CCCCC1 ZINC000050569187 175517630 /nfs/dbraw/zinc/51/76/30/175517630.db2.gz JDDVJPLPGYDTMI-UHFFFAOYSA-N 1 3 264.388 3.100 20 0 CGADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cccc(C3CC3)c1)C2 ZINC000312783618 416534584 /nfs/dbraw/zinc/53/45/84/416534584.db2.gz IAFFMGITOGCKOM-ROUUACIJSA-N 1 3 270.420 3.125 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C3CC3)c1)C2 ZINC000312783618 416534591 /nfs/dbraw/zinc/53/45/91/416534591.db2.gz IAFFMGITOGCKOM-ROUUACIJSA-N 1 3 270.420 3.125 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C3CC3)c1)C2 ZINC000312783618 416534595 /nfs/dbraw/zinc/53/45/95/416534595.db2.gz IAFFMGITOGCKOM-ROUUACIJSA-N 1 3 270.420 3.125 20 0 CGADHO C[C@H]1CCCN(Cc2coc3ccccc23)[C@H]1CC[NH3+] ZINC000404267810 416551265 /nfs/dbraw/zinc/55/12/65/416551265.db2.gz IPAYQLGLMGSFRW-BBRMVZONSA-N 1 3 272.392 3.382 20 0 CGADHO C[C@H]1CCCN(Cc2ccc3ncccc3c2)[C@@H]1CC[NH3+] ZINC000404369243 416552670 /nfs/dbraw/zinc/55/26/70/416552670.db2.gz IFOOAHKCLMEYEI-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)[C@@H]1CCN ZINC000404369243 416552675 /nfs/dbraw/zinc/55/26/75/416552675.db2.gz IFOOAHKCLMEYEI-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@@H]1CCN ZINC000404369243 416552681 /nfs/dbraw/zinc/55/26/81/416552681.db2.gz IFOOAHKCLMEYEI-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO CC[C@@H]1CN(Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000134094589 416516503 /nfs/dbraw/zinc/51/65/03/416516503.db2.gz MOVAJHWARFJCDX-KDOFPFPSSA-N 1 3 268.404 3.399 20 0 CGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2CSC2)cc1 ZINC000679625571 543651078 /nfs/dbraw/zinc/65/10/78/543651078.db2.gz WYJDIZWGPRFYCV-AWEZNQCLSA-N 1 3 290.476 3.266 20 0 CGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2CSC2)cc1 ZINC000679625571 543651081 /nfs/dbraw/zinc/65/10/81/543651081.db2.gz WYJDIZWGPRFYCV-AWEZNQCLSA-N 1 3 290.476 3.266 20 0 CGADHO C[NH+]1CCC(C)(CNCc2nccc3ccccc32)CC1 ZINC000679484406 543640791 /nfs/dbraw/zinc/64/07/91/543640791.db2.gz PGYIULDTDBWOFN-UHFFFAOYSA-N 1 3 283.419 3.056 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000682075808 543822807 /nfs/dbraw/zinc/82/28/07/543822807.db2.gz ZQEQSROKMXYEQH-QAPCUYQASA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000682075808 543822810 /nfs/dbraw/zinc/82/28/10/543822810.db2.gz ZQEQSROKMXYEQH-QAPCUYQASA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000682075808 543822812 /nfs/dbraw/zinc/82/28/12/543822812.db2.gz ZQEQSROKMXYEQH-QAPCUYQASA-N 1 3 270.420 3.092 20 0 CGADHO C[C@H]1C[C@@H]1C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108880 543894988 /nfs/dbraw/zinc/89/49/88/543894988.db2.gz AEOFSGSPVRXWGU-DOTOQJQBSA-N 1 3 287.451 3.276 20 0 CGADHO C[C@H]1C[C@@H]1C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108880 543894991 /nfs/dbraw/zinc/89/49/91/543894991.db2.gz AEOFSGSPVRXWGU-DOTOQJQBSA-N 1 3 287.451 3.276 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108883 543895024 /nfs/dbraw/zinc/89/50/24/543895024.db2.gz AEOFSGSPVRXWGU-NVXWUHKLSA-N 1 3 287.451 3.276 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108883 543895026 /nfs/dbraw/zinc/89/50/26/543895026.db2.gz AEOFSGSPVRXWGU-NVXWUHKLSA-N 1 3 287.451 3.276 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2oc(C)nc2C)CC1 ZINC000683898557 543951177 /nfs/dbraw/zinc/95/11/77/543951177.db2.gz MSLWUZFFBBJFQC-UHFFFAOYSA-N 1 3 293.455 3.235 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2oc(C)nc2C)CC1 ZINC000683898557 543951178 /nfs/dbraw/zinc/95/11/78/543951178.db2.gz MSLWUZFFBBJFQC-UHFFFAOYSA-N 1 3 293.455 3.235 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC1CCC1 ZINC000684428198 543999774 /nfs/dbraw/zinc/99/97/74/543999774.db2.gz AZNUORMJDZYQEV-UHFFFAOYSA-N 1 3 260.425 3.370 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC1CCC1 ZINC000684428198 543999775 /nfs/dbraw/zinc/99/97/75/543999775.db2.gz AZNUORMJDZYQEV-UHFFFAOYSA-N 1 3 260.425 3.370 20 0 CGADHO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684932528 544041289 /nfs/dbraw/zinc/04/12/89/544041289.db2.gz ZSIFESWLVRPNCR-RDJZCZTQSA-N 1 3 290.451 3.153 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423394413 292616966 /nfs/dbraw/zinc/61/69/66/292616966.db2.gz RKVBWYIPFYPVQM-HOSILWTGSA-N 1 3 258.409 3.403 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000652352635 418956982 /nfs/dbraw/zinc/95/69/82/418956982.db2.gz GRTBQPJPNIBVAL-WBAXXEDZSA-N 1 3 288.410 3.264 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000652352635 418956986 /nfs/dbraw/zinc/95/69/86/418956986.db2.gz GRTBQPJPNIBVAL-WBAXXEDZSA-N 1 3 288.410 3.264 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956668 419045874 /nfs/dbraw/zinc/04/58/74/419045874.db2.gz LPFGIWPLXBFXHK-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659956668 419045876 /nfs/dbraw/zinc/04/58/76/419045876.db2.gz LPFGIWPLXBFXHK-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659956668 419045879 /nfs/dbraw/zinc/04/58/79/419045879.db2.gz LPFGIWPLXBFXHK-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CC(C)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000665241440 419088616 /nfs/dbraw/zinc/08/86/16/419088616.db2.gz MPNOWCUQCUIRMT-XEZPLFJOSA-N 1 3 264.388 3.382 20 0 CGADHO C[C@H]([NH2+]CC1CC(C)(C)CC(C)(C)C1)C1CNC1 ZINC000665245790 419089875 /nfs/dbraw/zinc/08/98/75/419089875.db2.gz RFSKIRMUAHEOJW-LBPRGKRZSA-N 1 3 252.446 3.036 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244195 419089929 /nfs/dbraw/zinc/08/99/29/419089929.db2.gz IHGJLRVJKBLJTG-PTAUBWNISA-N 1 3 295.430 3.228 20 0 CGADHO NC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCCC1 ZINC000665247914 419090071 /nfs/dbraw/zinc/09/00/71/419090071.db2.gz LQNYRRSFCMAOFA-RDJZCZTQSA-N 1 3 288.435 3.015 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665249435 419092341 /nfs/dbraw/zinc/09/23/41/419092341.db2.gz QGIFZMAGHRZJJB-CQSZACIVSA-N 1 3 276.424 3.396 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCc2ccc(F)cc21 ZINC000665281303 419102525 /nfs/dbraw/zinc/10/25/25/419102525.db2.gz ZISMXRWCDPJVKS-CVEARBPZSA-N 1 3 264.388 3.166 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)C1CCCCC1 ZINC000665283172 419103481 /nfs/dbraw/zinc/10/34/81/419103481.db2.gz ISZSZPWMIOAMGG-LZWOXQAQSA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000665299250 419110350 /nfs/dbraw/zinc/11/03/50/419110350.db2.gz JISZWEYGWXVPKE-KYJSFNMBSA-N 1 3 272.436 3.071 20 0 CGADHO CCC(CC)(CN[C@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000665300652 419112321 /nfs/dbraw/zinc/11/23/21/419112321.db2.gz GXAUUFDANXKYCB-CYBMUJFWSA-N 1 3 278.415 3.081 20 0 CGADHO CCC(CC)(C[NH2+][C@H](C)C1CNC1)c1ccc(F)cc1 ZINC000665300652 419112322 /nfs/dbraw/zinc/11/23/22/419112322.db2.gz GXAUUFDANXKYCB-CYBMUJFWSA-N 1 3 278.415 3.081 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCCc1c(Cl)cccc1Cl ZINC000656199864 419148842 /nfs/dbraw/zinc/14/88/42/419148842.db2.gz GASPQQFGHPWKJG-UONOGXRCSA-N 1 3 287.234 3.395 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000656200854 419150011 /nfs/dbraw/zinc/15/00/11/419150011.db2.gz VKPOVMOALWJHMD-CABCVRRESA-N 1 3 262.372 3.064 20 0 CGADHO C[C@@H](c1ccccc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656090 419176832 /nfs/dbraw/zinc/17/68/32/419176832.db2.gz PRBUSNYZFPJBAT-RDJZCZTQSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@@H](c1ccccc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656090 419176835 /nfs/dbraw/zinc/17/68/35/419176835.db2.gz PRBUSNYZFPJBAT-RDJZCZTQSA-N 1 3 258.409 3.165 20 0 CGADHO Cc1ccc(CCCN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660665608 419178804 /nfs/dbraw/zinc/17/88/04/419178804.db2.gz WTRKPFLSQFYTJJ-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CCCN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660665608 419178805 /nfs/dbraw/zinc/17/88/05/419178805.db2.gz WTRKPFLSQFYTJJ-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CC1(F)F ZINC000666228871 419199862 /nfs/dbraw/zinc/19/98/62/419199862.db2.gz YHDNZHKHYVCONF-BXUZGUMPSA-N 1 3 272.383 3.027 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC1(F)F ZINC000666228871 419199865 /nfs/dbraw/zinc/19/98/65/419199865.db2.gz YHDNZHKHYVCONF-BXUZGUMPSA-N 1 3 272.383 3.027 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)[C@H](C)C2 ZINC000656792468 419222458 /nfs/dbraw/zinc/22/24/58/419222458.db2.gz RHQXZPRRDLCOFW-DYWXZXKOSA-N 1 3 258.409 3.088 20 0 CGADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661164264 419235954 /nfs/dbraw/zinc/23/59/54/419235954.db2.gz STRNYYFZQIIYDQ-INIZCTEOSA-N 1 3 276.424 3.333 20 0 CGADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cc2ccncc2s1 ZINC000657857818 419389985 /nfs/dbraw/zinc/38/99/85/419389985.db2.gz CTCQOJULWQPEMB-RYUDHWBXSA-N 1 3 277.437 3.287 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cc2cnccc2o1 ZINC000657823901 419371969 /nfs/dbraw/zinc/37/19/69/419371969.db2.gz LFTCBZRSCKLJLP-CQSZACIVSA-N 1 3 287.407 3.354 20 0 CGADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245037 419372688 /nfs/dbraw/zinc/37/26/88/419372688.db2.gz HJGOEPOWQSSWBN-SOLBZPMBSA-N 1 3 272.436 3.112 20 0 CGADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245037 419372693 /nfs/dbraw/zinc/37/26/93/419372693.db2.gz HJGOEPOWQSSWBN-SOLBZPMBSA-N 1 3 272.436 3.112 20 0 CGADHO CC(C)[C@H](N)CC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000663499701 419635096 /nfs/dbraw/zinc/63/50/96/419635096.db2.gz KYHQKLWLEFWVQP-NVXWUHKLSA-N 1 3 262.441 3.218 20 0 CGADHO CC(C)[C@H]([NH3+])CCNC[C@@H](C)c1cccc(Cl)c1 ZINC000663504115 419639853 /nfs/dbraw/zinc/63/98/53/419639853.db2.gz WHMHLIGEPQIJKP-IUODEOHRSA-N 1 3 268.832 3.407 20 0 CGADHO CC(C)[C@H](N)CC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000663504115 419639860 /nfs/dbraw/zinc/63/98/60/419639860.db2.gz WHMHLIGEPQIJKP-IUODEOHRSA-N 1 3 268.832 3.407 20 0 CGADHO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663465209 419614617 /nfs/dbraw/zinc/61/46/17/419614617.db2.gz IQCIYYKLEUQKKO-ULQDDVLXSA-N 1 3 282.447 3.226 20 0 CGADHO C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663463566 419616157 /nfs/dbraw/zinc/61/61/57/419616157.db2.gz ADHDJWQIQUBVOQ-HZPDHXFCSA-N 1 3 262.441 3.031 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466245 419617173 /nfs/dbraw/zinc/61/71/73/419617173.db2.gz PWRYRHYQUKRUPP-TZMCWYRMSA-N 1 3 292.389 3.429 20 0 CGADHO C([NH2+][C@H]1CCC12CCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663463563 419617288 /nfs/dbraw/zinc/61/72/88/419617288.db2.gz ADHDJWQIQUBVOQ-CVEARBPZSA-N 1 3 262.441 3.031 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000663504080 419640641 /nfs/dbraw/zinc/64/06/41/419640641.db2.gz VUAPKMBJTLWNOL-KZNAEPCWSA-N 1 3 274.452 3.361 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCC1 ZINC000663466511 419622803 /nfs/dbraw/zinc/62/28/03/419622803.db2.gz UYAAFGLDXNMZMP-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658179085 419646742 /nfs/dbraw/zinc/64/67/42/419646742.db2.gz DXEIDGJUUCHUPE-RYQLBKOJSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658179085 419646751 /nfs/dbraw/zinc/64/67/51/419646751.db2.gz DXEIDGJUUCHUPE-RYQLBKOJSA-N 1 3 296.499 3.026 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423169346 287620207 /nfs/dbraw/zinc/62/02/07/287620207.db2.gz JGHBUZLGLIWOGM-VDHUWJSZSA-N 1 3 286.463 3.404 20 0 CGADHO CC(C)O[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000185239550 270062063 /nfs/dbraw/zinc/06/20/63/270062063.db2.gz CDQQMBVXWRLHON-HOTGVXAUSA-N 1 3 296.499 3.431 20 0 CGADHO Cc1occc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000321279301 270093250 /nfs/dbraw/zinc/09/32/50/270093250.db2.gz SOVCDTSNECGFCT-QGZVFWFLSA-N 1 3 284.403 3.200 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000521609952 270102788 /nfs/dbraw/zinc/10/27/88/270102788.db2.gz SJQHOMTZJFKRBP-CFVMTHIKSA-N 1 3 262.397 3.006 20 0 CGADHO C[C@@H]([NH2+]CC1CC=CC1)c1cccc(OCCN(C)C)c1 ZINC000527942990 270146214 /nfs/dbraw/zinc/14/62/14/270146214.db2.gz IDKQHMPNMLUJRE-OAHLLOKOSA-N 1 3 288.435 3.244 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530214860 270195822 /nfs/dbraw/zinc/19/58/22/270195822.db2.gz YPJXDMDDBBMYMU-CXAGYDPISA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530215531 270195837 /nfs/dbraw/zinc/19/58/37/270195837.db2.gz HBYKBFRXSSQRHA-KFWWJZLASA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CCn1cccc1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000531390144 270206219 /nfs/dbraw/zinc/20/62/19/270206219.db2.gz XNXKFZYBVWWMJE-DLBZAZTESA-N 1 3 291.483 3.497 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000531753201 270209178 /nfs/dbraw/zinc/20/91/78/270209178.db2.gz ZEJZGYJNEDNYRO-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000532522057 270216898 /nfs/dbraw/zinc/21/68/98/270216898.db2.gz SNAAARZTFHUOCA-HOCLYGCPSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000415109366 273554116 /nfs/dbraw/zinc/55/41/16/273554116.db2.gz PIUOCGPYXORZCZ-SJORKVTESA-N 1 3 278.415 3.125 20 0 CGADHO C[NH+](C)C1(CNc2ccnc3ccccc32)CCC1 ZINC000097934374 273791882 /nfs/dbraw/zinc/79/18/82/273791882.db2.gz WDRRBZMUSMKJDT-UHFFFAOYSA-N 1 3 255.365 3.131 20 0 CGADHO C[C@@H]1CC2(CN1Cc1cc(F)ccc1Cl)CC[NH2+]CC2 ZINC000424289593 274284339 /nfs/dbraw/zinc/28/43/39/274284339.db2.gz MBUGDRWDEHMIRN-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000414939751 274377637 /nfs/dbraw/zinc/37/76/37/274377637.db2.gz JNEUIXLALRGTEQ-XGXHKWSGSA-N 1 3 286.463 3.376 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423394415 274800896 /nfs/dbraw/zinc/80/08/96/274800896.db2.gz RKVBWYIPFYPVQM-NYTXWWLZSA-N 1 3 258.409 3.403 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422946298 274948292 /nfs/dbraw/zinc/94/82/92/274948292.db2.gz OTAILFJILXOABC-GOEBONIOSA-N 1 3 280.843 3.380 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423353561 275069535 /nfs/dbraw/zinc/06/95/35/275069535.db2.gz DRTZLISPKRBWCC-LJQANCHMSA-N 1 3 278.399 3.457 20 0 CGADHO CC(C)N(C)c1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423061100 275618074 /nfs/dbraw/zinc/61/80/74/275618074.db2.gz QBHGWTLPYCVDHC-NVXWUHKLSA-N 1 3 289.467 3.138 20 0 CGADHO CC(C)[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CS1 ZINC000369670414 276033101 /nfs/dbraw/zinc/03/31/01/276033101.db2.gz MFTOOTFLKMSJNY-GYTBAZASSA-N 1 3 282.497 3.123 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288617 276073159 /nfs/dbraw/zinc/07/31/59/276073159.db2.gz QUWNVETUQYDMMC-HYVNUMGLSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288617 276073160 /nfs/dbraw/zinc/07/31/60/276073160.db2.gz QUWNVETUQYDMMC-HYVNUMGLSA-N 1 3 264.457 3.252 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000129246997 276196920 /nfs/dbraw/zinc/19/69/20/276196920.db2.gz DSLPRBXMFPSUAL-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733879 276263631 /nfs/dbraw/zinc/26/36/31/276263631.db2.gz NWVYTZHGXTURSU-JZXOWHBKSA-N 1 3 290.451 3.084 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733879 276263632 /nfs/dbraw/zinc/26/36/32/276263632.db2.gz NWVYTZHGXTURSU-JZXOWHBKSA-N 1 3 290.451 3.084 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733879 276263633 /nfs/dbraw/zinc/26/36/33/276263633.db2.gz NWVYTZHGXTURSU-JZXOWHBKSA-N 1 3 290.451 3.084 20 0 CGADHO CCS[C@@H]1CCC[C@@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000422818375 276510652 /nfs/dbraw/zinc/51/06/52/276510652.db2.gz KDEWOAKRWGJCSE-TUVASFSCSA-N 1 3 270.486 3.171 20 0 CGADHO C1CC2(C1)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CCO2 ZINC000335900213 276850423 /nfs/dbraw/zinc/85/04/23/276850423.db2.gz JLOWZGHLGIJIRA-INIZCTEOSA-N 1 3 292.467 3.085 20 0 CGADHO CN1CCC[C@@]2(CC[N@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177405 277071560 /nfs/dbraw/zinc/07/15/60/277071560.db2.gz PZAWVDLLBZKOQV-HCABJEFNSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177405 277071562 /nfs/dbraw/zinc/07/15/62/277071562.db2.gz PZAWVDLLBZKOQV-HCABJEFNSA-N 1 3 288.410 3.257 20 0 CGADHO COC[C@@H](NC1CC[NH+](C2CCCC2)CC1)C1CCCC1 ZINC000375346272 277247305 /nfs/dbraw/zinc/24/73/05/277247305.db2.gz WIBPKQDUJNQKPT-GOSISDBHSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@@H](C)N3CCCCC3)C[C@H]2C1 ZINC000424282612 277351683 /nfs/dbraw/zinc/35/16/83/277351683.db2.gz QTLCFRMGGDCUMH-SFFUCWETSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423388255 277886638 /nfs/dbraw/zinc/88/66/38/277886638.db2.gz IKXUAIIBOCOLDT-SZMVWBNQSA-N 1 3 274.452 3.231 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000414922818 278034878 /nfs/dbraw/zinc/03/48/78/278034878.db2.gz HFKLXISUHUOPNQ-SJORKVTESA-N 1 3 260.425 3.212 20 0 CGADHO CC(C)c1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414922818 278034880 /nfs/dbraw/zinc/03/48/80/278034880.db2.gz HFKLXISUHUOPNQ-SJORKVTESA-N 1 3 260.425 3.212 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CCC23CCC3)CC(C)(C)N1 ZINC000336339357 278191083 /nfs/dbraw/zinc/19/10/83/278191083.db2.gz LKOPHOWMTZZFNL-CYBMUJFWSA-N 1 3 250.430 3.218 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000397409182 288023355 /nfs/dbraw/zinc/02/33/55/288023355.db2.gz VDQOWMPOPVICLN-UMVBOHGHSA-N 1 3 272.392 3.238 20 0 CGADHO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000340517760 278232098 /nfs/dbraw/zinc/23/20/98/278232098.db2.gz GFOCYRIPDZMYTA-QLFBSQMISA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000423302321 278245585 /nfs/dbraw/zinc/24/55/85/278245585.db2.gz VLOSQABUNWUNIK-YJBOKZPZSA-N 1 3 274.452 3.362 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228472662 278310414 /nfs/dbraw/zinc/31/04/14/278310414.db2.gz YSTFKWFSSWBTEG-WXYCVUISSA-N 1 3 278.827 3.460 20 0 CGADHO C[C@H]1CCC[C@H](CN2CCC([NH+]3CCCC3)CC2)C1 ZINC000092794292 278351841 /nfs/dbraw/zinc/35/18/41/278351841.db2.gz OSWBDOQTYNDCAW-HOTGVXAUSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCC[C@H](C[NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092794292 278351842 /nfs/dbraw/zinc/35/18/42/278351842.db2.gz OSWBDOQTYNDCAW-HOTGVXAUSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000334267630 278352411 /nfs/dbraw/zinc/35/24/11/278352411.db2.gz OBCKDFMKJQWKNM-BBRMVZONSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCC[C@H]([NH+]2CCC(NC3CCC3)CC2)C1 ZINC000334267630 278352412 /nfs/dbraw/zinc/35/24/12/278352412.db2.gz OBCKDFMKJQWKNM-BBRMVZONSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CCN1 ZINC000414948501 278993550 /nfs/dbraw/zinc/99/35/50/278993550.db2.gz MEKBTLAMNTZNCW-BZZMCLGOSA-N 1 3 272.436 3.128 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2ccccc2C)C1 ZINC000151431858 279040265 /nfs/dbraw/zinc/04/02/65/279040265.db2.gz IYKJBAFAYYXXSS-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2ccccc2C)C1 ZINC000151431858 279040266 /nfs/dbraw/zinc/04/02/66/279040266.db2.gz IYKJBAFAYYXXSS-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431858 279040267 /nfs/dbraw/zinc/04/02/67/279040267.db2.gz IYKJBAFAYYXXSS-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431858 279040269 /nfs/dbraw/zinc/04/02/69/279040269.db2.gz IYKJBAFAYYXXSS-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000422731196 279082781 /nfs/dbraw/zinc/08/27/81/279082781.db2.gz NCAQFPJTFNLBJA-MYLCLEHYSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@@]1(CN[C@@H]2CCCc3ccccc32)CCC[NH2+]C1 ZINC000423346177 279162670 /nfs/dbraw/zinc/16/26/70/279162670.db2.gz ZLGMVCZFEVXNNC-IAGOWNOFSA-N 1 3 258.409 3.043 20 0 CGADHO C[C@@]1(C[NH2+][C@@H]2CCCc3ccccc32)CCCNC1 ZINC000423346177 279162672 /nfs/dbraw/zinc/16/26/72/279162672.db2.gz ZLGMVCZFEVXNNC-IAGOWNOFSA-N 1 3 258.409 3.043 20 0 CGADHO C[C@@]1(CNc2ccnc3ccccc32)CCC[NH2+]C1 ZINC000129403855 279163906 /nfs/dbraw/zinc/16/39/06/279163906.db2.gz SQIFBBMUMIAYBX-MRXNPFEDSA-N 1 3 255.365 3.036 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H](N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422559975 279176324 /nfs/dbraw/zinc/17/63/24/279176324.db2.gz FLWSQYOTXXOZPH-QZTJIDSGSA-N 1 3 284.447 3.325 20 0 CGADHO C[C@H](CCc1ccco1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227535539 279275069 /nfs/dbraw/zinc/27/50/69/279275069.db2.gz FKSHXAHPWFMWEE-JLZZUVOBSA-N 1 3 270.376 3.335 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423298644 279290193 /nfs/dbraw/zinc/29/01/93/279290193.db2.gz ALYBKPKYQPRFKA-XPKDYRNWSA-N 1 3 280.843 3.236 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000346505288 288161441 /nfs/dbraw/zinc/16/14/41/288161441.db2.gz XRPYMOINOFTTED-XHSDSOJGSA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@H+](CCC1CCN(CC2(F)CC2)CC1)CC1CC1 ZINC000527513902 288174969 /nfs/dbraw/zinc/17/49/69/288174969.db2.gz IJNMXSRJALESIL-UHFFFAOYSA-N 1 3 282.447 3.323 20 0 CGADHO CC[N@@H+](CCC1CCN(CC2(F)CC2)CC1)CC1CC1 ZINC000527513902 288174972 /nfs/dbraw/zinc/17/49/72/288174972.db2.gz IJNMXSRJALESIL-UHFFFAOYSA-N 1 3 282.447 3.323 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681210 288187870 /nfs/dbraw/zinc/18/78/70/288187870.db2.gz MHWVNLBNTCLXCS-FZCLSBEQSA-N 1 3 278.484 3.379 20 0 CGADHO CN1CCCC[C@@H]1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652729 288211157 /nfs/dbraw/zinc/21/11/57/288211157.db2.gz WHVRNUUBTSMFSZ-AEFFLSMTSA-N 1 3 287.451 3.387 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C[C@H](C)N)CC3 ZINC000423043221 281034888 /nfs/dbraw/zinc/03/48/88/281034888.db2.gz NXOQFSWRUVRHML-MELADBBJSA-N 1 3 285.435 3.049 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530209417 288299922 /nfs/dbraw/zinc/29/99/22/288299922.db2.gz HKNXEOXTJIYCNT-KXBFYZLASA-N 1 3 286.463 3.159 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCCC1 ZINC000530213587 288300803 /nfs/dbraw/zinc/30/08/03/288300803.db2.gz APAAEXJLXSWIAC-GJZGRUSLSA-N 1 3 250.430 3.220 20 0 CGADHO CCC[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530213587 288300805 /nfs/dbraw/zinc/30/08/05/288300805.db2.gz APAAEXJLXSWIAC-GJZGRUSLSA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423474935 281115580 /nfs/dbraw/zinc/11/55/80/281115580.db2.gz PHVYIGFYFGSGFH-UAGQMJEPSA-N 1 3 290.426 3.297 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)n1 ZINC000163347785 281252960 /nfs/dbraw/zinc/25/29/60/281252960.db2.gz BAWMATYNPSTDES-RDJZCZTQSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)n1 ZINC000163347785 281252961 /nfs/dbraw/zinc/25/29/61/281252961.db2.gz BAWMATYNPSTDES-RDJZCZTQSA-N 1 3 273.424 3.011 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000331378588 281377377 /nfs/dbraw/zinc/37/73/77/281377377.db2.gz LYJPJGPFCGGUSZ-MRVWCRGKSA-N 1 3 262.397 3.010 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000532454378 288361869 /nfs/dbraw/zinc/36/18/69/288361869.db2.gz UXHVATJZVCYQCF-IAGOWNOFSA-N 1 3 260.425 3.417 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459614 288362460 /nfs/dbraw/zinc/36/24/60/288362460.db2.gz PXIXUGFKIPGRJF-OAGGEKHMSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459614 288362462 /nfs/dbraw/zinc/36/24/62/288362462.db2.gz PXIXUGFKIPGRJF-OAGGEKHMSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000540180946 288648999 /nfs/dbraw/zinc/64/89/99/288648999.db2.gz KBSBIDGMXFRIBX-GOEBONIOSA-N 1 3 290.451 3.324 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CCN1 ZINC000414940587 288766362 /nfs/dbraw/zinc/76/63/62/288766362.db2.gz BUDHZXHBCCVRSG-VDNDLQMASA-N 1 3 276.399 3.192 20 0 CGADHO CC1(C)C[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000543770387 288819660 /nfs/dbraw/zinc/81/96/60/288819660.db2.gz CNXIIGZOHRBTFI-CQSZACIVSA-N 1 3 264.457 3.419 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000249138937 289304156 /nfs/dbraw/zinc/30/41/56/289304156.db2.gz VWKAWWNJCJSMAN-KFWWJZLASA-N 1 3 250.430 3.172 20 0 CGADHO CCN(CC)CCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000554816404 289311316 /nfs/dbraw/zinc/31/13/16/289311316.db2.gz ROUHLXNAQQWMAG-UHFFFAOYSA-N 1 3 290.451 3.014 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@]1(C)CCCS1 ZINC000227386486 289735545 /nfs/dbraw/zinc/73/55/45/289735545.db2.gz PTCKRIFYKSRRKB-RBSFLKMASA-N 1 3 270.486 3.173 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423285094 290004854 /nfs/dbraw/zinc/00/48/54/290004854.db2.gz YVKDJWKRYSJOOS-YXJHDRRASA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(-n2cccn2)cc1 ZINC000423285094 290004855 /nfs/dbraw/zinc/00/48/55/290004855.db2.gz YVKDJWKRYSJOOS-YXJHDRRASA-N 1 3 298.434 3.040 20 0 CGADHO COC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CCCC1 ZINC000446881689 293149985 /nfs/dbraw/zinc/14/99/85/293149985.db2.gz UJZIMYBGSKLNBB-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@H](NCC[C@@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC000446881689 293149988 /nfs/dbraw/zinc/14/99/88/293149988.db2.gz UJZIMYBGSKLNBB-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO [NH3+]CC1CCC(N[C@H](c2ccccc2)c2cccnc2)CC1 ZINC000422701082 295224040 /nfs/dbraw/zinc/22/40/40/295224040.db2.gz BHCJWDMKZXUHEW-XUJQIHCRSA-N 1 3 295.430 3.278 20 0 CGADHO C[C@@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCCNC1 ZINC000414899503 297899292 /nfs/dbraw/zinc/89/92/92/297899292.db2.gz CKPUKBMDIDSEFJ-WXRRBKDZSA-N 1 3 278.362 3.087 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC1 ZINC000423385924 302102888 /nfs/dbraw/zinc/10/28/88/302102888.db2.gz RKVCILPKBKSMIB-OLMNPRSZSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346852716 302217947 /nfs/dbraw/zinc/21/79/47/302217947.db2.gz XGBZPWUQSCQDKO-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346852716 302217951 /nfs/dbraw/zinc/21/79/51/302217951.db2.gz XGBZPWUQSCQDKO-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000422900340 304855583 /nfs/dbraw/zinc/85/55/83/304855583.db2.gz QDKNXTZNRUEEPX-BZSNNMDCSA-N 1 3 272.436 3.445 20 0 CGADHO CCc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000563944452 322015970 /nfs/dbraw/zinc/01/59/70/322015970.db2.gz KAPCRVZJIKMDIN-CZUORRHYSA-N 1 3 278.465 3.275 20 0 CGADHO C[C@H](CCN[C@H]1CCC1(C)C)[NH2+][C@@H]1CCC1(C)C ZINC000565175258 322065397 /nfs/dbraw/zinc/06/53/97/322065397.db2.gz UBZBONVKQGELRV-HZSPNIEDSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC1(C)C)N[C@@H]1CCC1(C)C ZINC000565175258 322065400 /nfs/dbraw/zinc/06/54/00/322065400.db2.gz UBZBONVKQGELRV-HZSPNIEDSA-N 1 3 252.446 3.321 20 0 CGADHO Cc1ccc(-c2nc(CCN[C@@H]3CCC[C@H]([NH3+])C3)co2)cc1 ZINC000565226567 322067685 /nfs/dbraw/zinc/06/76/85/322067685.db2.gz LPNHRZANSJMHJO-JKSUJKDBSA-N 1 3 299.418 3.052 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@H](c3cccnc3)C2)CCCCC1 ZINC000566555673 322129393 /nfs/dbraw/zinc/12/93/93/322129393.db2.gz IXUOABJFMFELQA-RDJZCZTQSA-N 1 3 287.451 3.359 20 0 CGADHO CC(C)(C[NH2+]Cc1ccc2[nH]ccc2c1)CN1CCCC1 ZINC000567290492 322157808 /nfs/dbraw/zinc/15/78/08/322157808.db2.gz HTDOUYQIMLWYMX-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO C[C@@H]1c2c(F)cccc2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000568611137 322215582 /nfs/dbraw/zinc/21/55/82/322215582.db2.gz KVUMEGXQKRSQSK-KGLIPLIRSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000568784524 322222713 /nfs/dbraw/zinc/22/27/13/322222713.db2.gz GIAPGAMZOPIYBG-DOTOQJQBSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)[C@H]1CCCNC1 ZINC000569330407 322243591 /nfs/dbraw/zinc/24/35/91/322243591.db2.gz XXSMNWWMQOUWBV-DZJNRPSUSA-N 1 3 272.436 3.300 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000570985053 322287126 /nfs/dbraw/zinc/28/71/26/322287126.db2.gz CKNQWDMEGBWJGW-BDXSIMOUSA-N 1 3 272.436 3.430 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000573178546 322374355 /nfs/dbraw/zinc/37/43/55/322374355.db2.gz QNUSIAXDNHPEFI-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[C@H]1CCCCN1C[C@]1(C)CC[NH2+]C1 ZINC000573249124 322377651 /nfs/dbraw/zinc/37/76/51/322377651.db2.gz VUGPYQWZUWWQJR-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000573464533 322389325 /nfs/dbraw/zinc/38/93/25/322389325.db2.gz QRLUGMSASHOZIE-XOKHGSTOSA-N 1 3 294.414 3.168 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1sccc1Br ZINC000583375714 327332280 /nfs/dbraw/zinc/33/22/80/327332280.db2.gz SGKQWXFALGXXHR-IUCAKERBSA-N 1 3 291.258 3.289 20 0 CGADHO CC[NH+]1CCC(CN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000582372435 328974520 /nfs/dbraw/zinc/97/45/20/328974520.db2.gz XUTMPGFIICHRDF-INIZCTEOSA-N 1 3 294.389 3.274 20 0 CGADHO CCC[C@H](C)[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000576470821 335208548 /nfs/dbraw/zinc/20/85/48/335208548.db2.gz RZICOVXAQRVFEW-YJBOKZPZSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](C)[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000576470821 335208549 /nfs/dbraw/zinc/20/85/49/335208549.db2.gz RZICOVXAQRVFEW-YJBOKZPZSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527335 335215598 /nfs/dbraw/zinc/21/55/98/335215598.db2.gz XSTYDOCCDGJWKS-BGTYHANMSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527335 335215600 /nfs/dbraw/zinc/21/56/00/335215600.db2.gz XSTYDOCCDGJWKS-BGTYHANMSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527335 335215601 /nfs/dbraw/zinc/21/56/01/335215601.db2.gz XSTYDOCCDGJWKS-BGTYHANMSA-N 1 3 272.436 3.308 20 0 CGADHO [NH3+]C[C@@H](NCc1ccnc2ccccc12)C1CCCCC1 ZINC000576959637 335270456 /nfs/dbraw/zinc/27/04/56/335270456.db2.gz UBSZKZGNCFGKII-GOSISDBHSA-N 1 3 283.419 3.232 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000578434013 335633391 /nfs/dbraw/zinc/63/33/91/335633391.db2.gz XVNCQBNEXJSJCA-YESZJQIVSA-N 1 3 276.424 3.031 20 0 CGADHO CC[C@H](NCCCCC[NH+]1CCCCC1)c1nccn1C ZINC000182961419 335853195 /nfs/dbraw/zinc/85/31/95/335853195.db2.gz PTRSTALOIOXGJK-INIZCTEOSA-N 1 3 292.471 3.117 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@H]2CCCC[C@H]2C)CC1 ZINC000183033210 335857209 /nfs/dbraw/zinc/85/72/09/335857209.db2.gz JTNLDFHQWITBRA-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000382168311 336083391 /nfs/dbraw/zinc/08/33/91/336083391.db2.gz VTNQRWGYVIDMTH-UBHSHLNASA-N 1 3 252.427 3.272 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000382168311 336083393 /nfs/dbraw/zinc/08/33/93/336083393.db2.gz VTNQRWGYVIDMTH-UBHSHLNASA-N 1 3 252.427 3.272 20 0 CGADHO CSCC1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000385832492 336157984 /nfs/dbraw/zinc/15/79/84/336157984.db2.gz LWLQMFZJVZTNGS-URGYJCLVSA-N 1 3 270.486 3.028 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000581972963 336181475 /nfs/dbraw/zinc/18/14/75/336181475.db2.gz PYZIPOHIPDWIEN-UAGQMJEPSA-N 1 3 264.457 3.300 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1cccc(F)c1F ZINC000387291914 336191112 /nfs/dbraw/zinc/19/11/12/336191112.db2.gz IIPUVFWVJMLZCI-UHFFFAOYSA-N 1 3 270.367 3.175 20 0 CGADHO CC(C)CSCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000155781082 519767724 /nfs/dbraw/zinc/76/77/24/519767724.db2.gz IHHDKQOPZZLPEN-CVEARBPZSA-N 1 3 284.513 3.182 20 0 CGADHO CC(C)CSCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000155781082 519767726 /nfs/dbraw/zinc/76/77/26/519767726.db2.gz IHHDKQOPZZLPEN-CVEARBPZSA-N 1 3 284.513 3.182 20 0 CGADHO C[C@@H](O)C[C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449236267 533729534 /nfs/dbraw/zinc/72/95/34/533729534.db2.gz XIYLSDWBQPQSQB-HUUCEWRRSA-N 1 3 298.515 3.415 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423308499 533772051 /nfs/dbraw/zinc/77/20/51/533772051.db2.gz OMYOOFFEGDOYHR-NHYWBVRUSA-N 1 3 266.816 3.366 20 0 CGADHO COc1cc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc2ccccc21 ZINC000449034963 533821386 /nfs/dbraw/zinc/82/13/86/533821386.db2.gz LQWLLEHCEFLHKM-OAHLLOKOSA-N 1 3 298.430 3.232 20 0 CGADHO COc1cc(C[N@H+]2CC[C@H](CN(C)C)C2)cc2ccccc21 ZINC000449034963 533821389 /nfs/dbraw/zinc/82/13/89/533821389.db2.gz LQWLLEHCEFLHKM-OAHLLOKOSA-N 1 3 298.430 3.232 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCC[C@@H]1CCC[NH2+]C1 ZINC000423264363 533884053 /nfs/dbraw/zinc/88/40/53/533884053.db2.gz YJPVQIWGCSKIID-OLZOCXBDSA-N 1 3 296.842 3.389 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422759765 534069611 /nfs/dbraw/zinc/06/96/11/534069611.db2.gz LIFBOSXULRQQNA-WBVHZDCISA-N 1 3 285.435 3.009 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)CN(C)C ZINC000425936621 534082437 /nfs/dbraw/zinc/08/24/37/534082437.db2.gz JIJBWHFOTBKDNC-XHDPSFHLSA-N 1 3 266.816 3.115 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423332869 534266781 /nfs/dbraw/zinc/26/67/81/534266781.db2.gz HIVNZBLFDQVDAF-KSSFIOAISA-N 1 3 286.419 3.343 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423332869 534266785 /nfs/dbraw/zinc/26/67/85/534266785.db2.gz HIVNZBLFDQVDAF-KSSFIOAISA-N 1 3 286.419 3.343 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423410029 534366841 /nfs/dbraw/zinc/36/68/41/534366841.db2.gz ZNWCFAFZOKJQOO-XCRHUMRWSA-N 1 3 297.446 3.441 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423410029 534366845 /nfs/dbraw/zinc/36/68/45/534366845.db2.gz ZNWCFAFZOKJQOO-XCRHUMRWSA-N 1 3 297.446 3.441 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000163656638 520262116 /nfs/dbraw/zinc/26/21/16/520262116.db2.gz WTQASAOEVABJKU-YJBOKZPZSA-N 1 3 290.451 3.043 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163656638 520262121 /nfs/dbraw/zinc/26/21/21/520262121.db2.gz WTQASAOEVABJKU-YJBOKZPZSA-N 1 3 290.451 3.043 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000037643893 521717020 /nfs/dbraw/zinc/71/70/20/521717020.db2.gz BJBSMSUTFJOHTM-CYBMUJFWSA-N 1 3 286.341 3.137 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215197 522295667 /nfs/dbraw/zinc/29/56/67/522295667.db2.gz LUYBSVOYKYWJAU-HUUCEWRRSA-N 1 3 275.440 3.322 20 0 CGADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000049553318 522908790 /nfs/dbraw/zinc/90/87/90/522908790.db2.gz UVSURQGWMNOLKM-XJKSGUPXSA-N 1 3 264.413 3.076 20 0 CGADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000049554317 522909271 /nfs/dbraw/zinc/90/92/71/522909271.db2.gz VMGHKSASCZDVHJ-XJKSGUPXSA-N 1 3 276.424 3.002 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000161511314 523819029 /nfs/dbraw/zinc/81/90/29/523819029.db2.gz WMCXGLZFHZPQOB-MRXNPFEDSA-N 1 3 294.483 3.284 20 0 CGADHO C[C@H](CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538411 524342552 /nfs/dbraw/zinc/34/25/52/524342552.db2.gz QFIFGFIHEGKWDQ-PBHICJAKSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538411 524342558 /nfs/dbraw/zinc/34/25/58/524342558.db2.gz QFIFGFIHEGKWDQ-PBHICJAKSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538411 524342564 /nfs/dbraw/zinc/34/25/64/524342564.db2.gz QFIFGFIHEGKWDQ-PBHICJAKSA-N 1 3 278.415 3.345 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccccc2F)c2ccccc21 ZINC000157249714 527376255 /nfs/dbraw/zinc/37/62/55/527376255.db2.gz PCHGNYQPAGXZAG-IAGOWNOFSA-N 1 3 270.351 3.103 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCCc2ccccc2)c2ccccc21 ZINC000157264102 527418570 /nfs/dbraw/zinc/41/85/70/527418570.db2.gz YCZKMDBQQMCTEJ-ROUUACIJSA-N 1 3 266.388 3.354 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000368026074 527814354 /nfs/dbraw/zinc/81/43/54/527814354.db2.gz ZWFWKLRKMCTUCA-RFSCMCKOSA-N 1 3 294.389 3.142 20 0 CGADHO CC1(C)[C@@H](NCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423369739 527827167 /nfs/dbraw/zinc/82/71/67/527827167.db2.gz TURBXNKEELUGRK-IKGGRYGDSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C(C)(C)C ZINC000423406543 527850911 /nfs/dbraw/zinc/85/09/11/527850911.db2.gz UUIBCFPFTKMLOG-KKUMJFAQSA-N 1 3 254.462 3.425 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423348597 528207467 /nfs/dbraw/zinc/20/74/67/528207467.db2.gz UJYQEVZBQQNCRW-AWEZNQCLSA-N 1 3 274.408 3.044 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000423536955 528315458 /nfs/dbraw/zinc/31/54/58/528315458.db2.gz BIRBLBVOZWORSF-IGQOVBAYSA-N 1 3 293.480 3.305 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268494 528533561 /nfs/dbraw/zinc/53/35/61/528533561.db2.gz GKVVJQVVSGYHIY-KDOFPFPSSA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423326115 528589450 /nfs/dbraw/zinc/58/94/50/528589450.db2.gz QMYKFZADVUSUJH-LSDHHAIUSA-N 1 3 266.816 3.364 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423463172 528691182 /nfs/dbraw/zinc/69/11/82/528691182.db2.gz LFMJNALBLHKJCL-MCIONIFRSA-N 1 3 264.413 3.252 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423287516 528949893 /nfs/dbraw/zinc/94/98/93/528949893.db2.gz MTBACHNCBNGQAW-AWEZNQCLSA-N 1 3 286.423 3.040 20 0 CGADHO CCC[C@@H](NC[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423297289 529009239 /nfs/dbraw/zinc/00/92/39/529009239.db2.gz JQOYFBQXRXOJMK-SMDDNHRTSA-N 1 3 254.805 3.366 20 0 CGADHO CCC1(CC)CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000423074776 529039556 /nfs/dbraw/zinc/03/95/56/529039556.db2.gz VFPGBZSCGICCPA-VNQPRFMTSA-N 1 3 282.472 3.077 20 0 CGADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449104680 529160874 /nfs/dbraw/zinc/16/08/74/529160874.db2.gz WLXPKCAKYKPOAL-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000358506402 529179636 /nfs/dbraw/zinc/17/96/36/529179636.db2.gz JXQBXGYRPJNVID-MRXNPFEDSA-N 1 3 294.389 3.491 20 0 CGADHO CC[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H]1CC1(C)C ZINC000423388236 529184578 /nfs/dbraw/zinc/18/45/78/529184578.db2.gz NIFUMLVAKJMRDG-JKSUJKDBSA-N 1 3 258.409 3.204 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OC)c(OC)c1 ZINC000424374866 529202706 /nfs/dbraw/zinc/20/27/06/529202706.db2.gz LUXVHDPSYGPPAN-RBSFLKMASA-N 1 3 292.423 3.014 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423388810 529248193 /nfs/dbraw/zinc/24/81/93/529248193.db2.gz IZEMCECCXSYEGZ-WWGRRREGSA-N 1 3 278.465 3.447 20 0 CGADHO CCN(CC)CCC[N@H+](C)CCCc1ccccc1 ZINC000513965615 535502797 /nfs/dbraw/zinc/50/27/97/535502797.db2.gz BTGAPBUXSVMGGI-UHFFFAOYSA-N 1 3 262.441 3.283 20 0 CGADHO CCN(CC)CCC[N@@H+](C)CCCc1ccccc1 ZINC000513965615 535502803 /nfs/dbraw/zinc/50/28/03/535502803.db2.gz BTGAPBUXSVMGGI-UHFFFAOYSA-N 1 3 262.441 3.283 20 0 CGADHO CCc1cccc(F)c1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459800278 535890847 /nfs/dbraw/zinc/89/08/47/535890847.db2.gz ZLUCHAFPBOIHNG-CQSZACIVSA-N 1 3 278.415 3.210 20 0 CGADHO CCc1cccc(F)c1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459800278 535890851 /nfs/dbraw/zinc/89/08/51/535890851.db2.gz ZLUCHAFPBOIHNG-CQSZACIVSA-N 1 3 278.415 3.210 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Cl)c(F)c2)C1 ZINC000459747023 536383837 /nfs/dbraw/zinc/38/38/37/536383837.db2.gz ZNPGEORZWKSEOJ-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Cl)c(F)c2)C1 ZINC000459747023 536383839 /nfs/dbraw/zinc/38/38/39/536383839.db2.gz ZNPGEORZWKSEOJ-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000261558216 618084844 /nfs/dbraw/zinc/08/48/44/618084844.db2.gz DAALYWMNGHQKGQ-APIJFGDWSA-N 1 3 252.446 3.179 20 0 CGADHO CCCSC[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000893322965 619094624 /nfs/dbraw/zinc/09/46/24/619094624.db2.gz YYVGAWZMZRRUDY-LBPRGKRZSA-N 1 3 272.502 3.417 20 0 CGADHO [NH3+][C@H]1C[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C12CCC2 ZINC000925658764 619114100 /nfs/dbraw/zinc/11/41/00/619114100.db2.gz ZYHLGYDHCVPUMM-QCEMKRCNSA-N 1 3 290.838 3.446 20 0 CGADHO COc1cc(C)c([C@@H](C)NCCC(C)(C)[NH3+])cc1C ZINC000925736775 619210386 /nfs/dbraw/zinc/21/03/86/619210386.db2.gz CBUZGTUTBLTNHA-CYBMUJFWSA-N 1 3 264.413 3.090 20 0 CGADHO CC(C)([NH3+])CCN[C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000925739327 619212423 /nfs/dbraw/zinc/21/24/23/619212423.db2.gz VZPKYOWDRMYWSM-HZPDHXFCSA-N 1 3 294.414 3.153 20 0 CGADHO CCC1([NH3+])CCN([C@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000925756306 619220737 /nfs/dbraw/zinc/22/07/37/619220737.db2.gz KOGLDYHAGPKSRG-GJZGRUSLSA-N 1 3 282.472 3.029 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000236791335 619229755 /nfs/dbraw/zinc/22/97/55/619229755.db2.gz PFJXIXOJOITKPC-UHFFFAOYSA-N 1 3 285.435 3.378 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924959695 619462374 /nfs/dbraw/zinc/46/23/74/619462374.db2.gz LISIZWTWXVMVIK-WZYMTQMTSA-N 1 3 282.497 3.123 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895290239 619797035 /nfs/dbraw/zinc/79/70/35/619797035.db2.gz DODGWWYPMRGDND-DTTOXWODSA-N 1 3 290.451 3.117 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)N(C)C ZINC000895292215 619797737 /nfs/dbraw/zinc/79/77/37/619797737.db2.gz NAJPVEJXDTXBBJ-XDQVBPFNSA-N 1 3 266.454 3.170 20 0 CGADHO Cc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000924688829 620563713 /nfs/dbraw/zinc/56/37/13/620563713.db2.gz VXFOWASZLCCCOO-KBPBESRZSA-N 1 3 293.455 3.454 20 0 CGADHO Cc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000924688829 620563715 /nfs/dbraw/zinc/56/37/15/620563715.db2.gz VXFOWASZLCCCOO-KBPBESRZSA-N 1 3 293.455 3.454 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902451068 621330429 /nfs/dbraw/zinc/33/04/29/621330429.db2.gz FFBPCCOYXIELNM-DGCLKSJQSA-N 1 3 293.480 3.174 20 0 CGADHO CC1(C)[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)[C@@H]2CCCN[C@@H]21 ZINC000902453878 621331757 /nfs/dbraw/zinc/33/17/57/621331757.db2.gz FLBOGXUEWZMTFD-YIYPIFLZSA-N 1 3 286.410 3.178 20 0 CGADHO Fc1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(F)c1 ZINC000902454723 621332600 /nfs/dbraw/zinc/33/26/00/621332600.db2.gz UIEHTEUTWIYMIA-KXEULXGJSA-N 1 3 292.373 3.083 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902472105 621342468 /nfs/dbraw/zinc/34/24/68/621342468.db2.gz WSFBVQXZTBFUMS-WKULXVSPSA-N 1 3 270.420 3.195 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CCOCC1 ZINC000902755462 621426327 /nfs/dbraw/zinc/42/63/27/621426327.db2.gz PHMOETJYNQWUIT-SJLPKXTDSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379979 621722428 /nfs/dbraw/zinc/72/24/28/621722428.db2.gz JKRCUAZOYJODJJ-DJIMGWMZSA-N 1 3 289.467 3.489 20 0 CGADHO Cc1ccc(CN2CCCC[C@H]2C2(C[NH3+])CCC2)c(C)n1 ZINC000903811197 621813472 /nfs/dbraw/zinc/81/34/72/621813472.db2.gz JPAQIINSFWDLEH-KRWDZBQOSA-N 1 3 287.451 3.182 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(C(F)F)c(F)c2)C1 ZINC000904355331 621910960 /nfs/dbraw/zinc/91/09/60/621910960.db2.gz MNVSKZHRRBWXRG-WDEREUQCSA-N 1 3 272.314 3.123 20 0 CGADHO C[C@@]1(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCCNC1 ZINC000904380829 621916325 /nfs/dbraw/zinc/91/63/25/621916325.db2.gz HRRUWKBJANLTBV-INDMIFKZSA-N 1 3 284.447 3.112 20 0 CGADHO C[C@@]1(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCCNC1 ZINC000904380829 621916329 /nfs/dbraw/zinc/91/63/29/621916329.db2.gz HRRUWKBJANLTBV-INDMIFKZSA-N 1 3 284.447 3.112 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000906517927 622242370 /nfs/dbraw/zinc/24/23/70/622242370.db2.gz JLHRQLQVVOHBIO-HAQNSBGRSA-N 1 3 287.234 3.395 20 0 CGADHO CCCCCCN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000157700616 622942235 /nfs/dbraw/zinc/94/22/35/622942235.db2.gz QSHLZHOCESVZLB-QZTJIDSGSA-N 1 3 295.515 3.057 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1ccccc1)CN1CCCC1 ZINC000062077916 623199114 /nfs/dbraw/zinc/19/91/14/623199114.db2.gz JWTLLPGHYWNTJJ-IAGOWNOFSA-N 1 3 274.452 3.329 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C2CC2)cc1CN1CCCCC1 ZINC000182180767 624948258 /nfs/dbraw/zinc/94/82/58/624948258.db2.gz RSCYDPIHSXBXOZ-CQSZACIVSA-N 1 3 288.435 3.494 20 0 CGADHO COc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)c(C)c1 ZINC000922080253 625969203 /nfs/dbraw/zinc/96/92/03/625969203.db2.gz BWBYHSJGGXOWHG-UHFFFAOYSA-N 1 3 288.435 3.110 20 0 CGADHO CCC(CC)CN[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922630139 626022098 /nfs/dbraw/zinc/02/20/98/626022098.db2.gz NCGBNAVSYYCPDM-INIZCTEOSA-N 1 3 263.429 3.100 20 0 CGADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(Cl)nc1 ZINC000923300689 626143889 /nfs/dbraw/zinc/14/38/89/626143889.db2.gz IWDUOGYWXTYVLS-LQDVMPOASA-N 1 3 293.842 3.088 20 0 CGADHO C(C[C@H]1CCOC1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000753591977 626457329 /nfs/dbraw/zinc/45/73/29/626457329.db2.gz UXXYDQOXWHYSPU-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO c1ccc(CSCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000754785222 626587257 /nfs/dbraw/zinc/58/72/57/626587257.db2.gz JRUCVGJSUVYPGJ-IAGOWNOFSA-N 1 3 290.476 3.136 20 0 CGADHO c1ccc(CSCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754785222 626587258 /nfs/dbraw/zinc/58/72/58/626587258.db2.gz JRUCVGJSUVYPGJ-IAGOWNOFSA-N 1 3 290.476 3.136 20 0 CGADHO COc1ccc2c(c1)[C@H](NCC[N@@H+]1CCC[C@@H]1C)CCC2 ZINC000766267712 627307575 /nfs/dbraw/zinc/30/75/75/627307575.db2.gz ILFBTQZKSCJIAP-KBXCAEBGSA-N 1 3 288.435 3.147 20 0 CGADHO COc1ccc2c(c1)[C@H](NCC[N@H+]1CCC[C@@H]1C)CCC2 ZINC000766267712 627307578 /nfs/dbraw/zinc/30/75/78/627307578.db2.gz ILFBTQZKSCJIAP-KBXCAEBGSA-N 1 3 288.435 3.147 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCC[N@@H+]1CCC[C@@H]1C)CCC2 ZINC000766267714 627308136 /nfs/dbraw/zinc/30/81/36/627308136.db2.gz ILFBTQZKSCJIAP-KSSFIOAISA-N 1 3 288.435 3.147 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCC[N@H+]1CCC[C@@H]1C)CCC2 ZINC000766267714 627308139 /nfs/dbraw/zinc/30/81/39/627308139.db2.gz ILFBTQZKSCJIAP-KSSFIOAISA-N 1 3 288.435 3.147 20 0 CGADHO CCC[NH+](CCC)CCCNC1CC(C(F)F)C1 ZINC000769487516 627559445 /nfs/dbraw/zinc/55/94/45/627559445.db2.gz TUUCABLXUNZQLZ-UHFFFAOYSA-N 1 3 262.388 3.132 20 0 CGADHO C[C@H](C1CC1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000782180994 628620212 /nfs/dbraw/zinc/62/02/12/628620212.db2.gz NSWPFBZXQZHXLZ-BZUAXINKSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@H](C1CC1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000782180994 628620214 /nfs/dbraw/zinc/62/02/14/628620214.db2.gz NSWPFBZXQZHXLZ-BZUAXINKSA-N 1 3 264.457 3.371 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@H](C)C[NH+]1CCCC1 ZINC000785761084 628886162 /nfs/dbraw/zinc/88/61/62/628886162.db2.gz WLIQBDWBCTVMCX-AWEZNQCLSA-N 1 3 299.418 3.387 20 0 CGADHO C/C(=C\c1ccccc1)CNCC(C)(C)C[NH+](C)C ZINC000102418999 634751543 /nfs/dbraw/zinc/75/15/43/634751543.db2.gz SIUXBASNRCAUOV-RVDMUPIBSA-N 1 3 260.425 3.267 20 0 CGADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCc2cc(C)ccc21 ZINC000797115455 629890821 /nfs/dbraw/zinc/89/08/21/629890821.db2.gz UBBZWBQPQBYZFF-FUHWJXTLSA-N 1 3 272.436 3.446 20 0 CGADHO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCc2cc(C)ccc21 ZINC000797115455 629890824 /nfs/dbraw/zinc/89/08/24/629890824.db2.gz UBBZWBQPQBYZFF-FUHWJXTLSA-N 1 3 272.436 3.446 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000843389667 635656707 /nfs/dbraw/zinc/65/67/07/635656707.db2.gz KQGBBXOSJZAZTA-TZMCWYRMSA-N 1 3 298.352 3.104 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(F)cc2C)CC1 ZINC000815553801 631794310 /nfs/dbraw/zinc/79/43/10/631794310.db2.gz KDCVTJNADOBUDF-CYBMUJFWSA-N 1 3 264.388 3.269 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902776 632233150 /nfs/dbraw/zinc/23/31/50/632233150.db2.gz YAICEXVHJBGDGY-CABCVRRESA-N 1 3 287.794 3.012 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902776 632233155 /nfs/dbraw/zinc/23/31/55/632233155.db2.gz YAICEXVHJBGDGY-CABCVRRESA-N 1 3 287.794 3.012 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817949615 632245610 /nfs/dbraw/zinc/24/56/10/632245610.db2.gz SIQMFEHGINXNEM-OAHLLOKOSA-N 1 3 298.430 3.356 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000817972670 632266207 /nfs/dbraw/zinc/26/62/07/632266207.db2.gz ZPALWPLRPGRYQI-YVVXQTMVSA-N 1 3 276.399 3.192 20 0 CGADHO COc1c(C)cc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1Cl ZINC000817980628 632271988 /nfs/dbraw/zinc/27/19/88/632271988.db2.gz WEAIBTFTPGYXFN-AXFHLTTASA-N 1 3 270.804 3.043 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000818615053 632341397 /nfs/dbraw/zinc/34/13/97/632341397.db2.gz LCZWVVOCAYLSEJ-DAXOMENPSA-N 1 3 262.397 3.006 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872023342 633943899 /nfs/dbraw/zinc/94/38/99/633943899.db2.gz GCKYULMXHMYBJA-CHWSQXEVSA-N 1 3 280.378 3.429 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872034415 633952602 /nfs/dbraw/zinc/95/26/02/633952602.db2.gz NRYATKAMHXAJOC-IKGGRYGDSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)Cc1ncc(CN(C)CCCCCC[NH3+])s1 ZINC000873231873 634294647 /nfs/dbraw/zinc/29/46/47/634294647.db2.gz XDEJJDVOBJEUGO-UHFFFAOYSA-N 1 3 283.485 3.293 20 0 CGADHO CC1(C)CC[C@H](CNC2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC000873237374 634296744 /nfs/dbraw/zinc/29/67/44/634296744.db2.gz PDWHVRGOOJYYCP-WXRRBKDZSA-N 1 3 292.389 3.475 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942910 634933527 /nfs/dbraw/zinc/93/35/27/634933527.db2.gz ILOXLVJTGYMWJW-PMPSAXMXSA-N 1 3 294.483 3.044 20 0 CGADHO CCCCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000841026474 635108527 /nfs/dbraw/zinc/10/85/27/635108527.db2.gz DFLRBGUUZDNEBO-ZBFHGGJFSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877739459 635173259 /nfs/dbraw/zinc/17/32/59/635173259.db2.gz GHAHFGZYLJYRQV-RHSMWYFYSA-N 1 3 284.403 3.267 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877739459 635173262 /nfs/dbraw/zinc/17/32/62/635173262.db2.gz GHAHFGZYLJYRQV-RHSMWYFYSA-N 1 3 284.403 3.267 20 0 CGADHO FC1(F)CCC[C@H]1CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000878190934 635406149 /nfs/dbraw/zinc/40/61/49/635406149.db2.gz LNWCIDLSZSJSJY-AWEZNQCLSA-N 1 3 295.377 3.029 20 0 CGADHO CCOc1cccc([C@@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000843343705 635651276 /nfs/dbraw/zinc/65/12/76/635651276.db2.gz FSJQLBMAWJTOCS-CQSZACIVSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CCCC[C@@H]1CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667093 635830398 /nfs/dbraw/zinc/83/03/98/635830398.db2.gz AHMXPINYVOEFFL-MGPQQGTHSA-N 1 3 290.373 3.348 20 0 CGADHO C[C@H](N[C@@H]1c2ccccc2CC[C@H]1F)C1CC[NH+](C)CC1 ZINC000883375941 636715462 /nfs/dbraw/zinc/71/54/62/636715462.db2.gz CCLHUTDEAGVYOD-MORSLUCNSA-N 1 3 290.426 3.332 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883441163 636758322 /nfs/dbraw/zinc/75/83/22/636758322.db2.gz IMLSLJHHYKAGRZ-HZMVEIRTSA-N 1 3 288.435 3.012 20 0 CGADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883441163 636758327 /nfs/dbraw/zinc/75/83/27/636758327.db2.gz IMLSLJHHYKAGRZ-HZMVEIRTSA-N 1 3 288.435 3.012 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938021 637321549 /nfs/dbraw/zinc/32/15/49/637321549.db2.gz PGIVWYUDSBXYDT-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000886062526 637396099 /nfs/dbraw/zinc/39/60/99/637396099.db2.gz QSFPNCDZIRTCLY-GVDBMIGSSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000886089693 637404647 /nfs/dbraw/zinc/40/46/47/637404647.db2.gz HJFDJRJSLPPODI-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000886167003 637445247 /nfs/dbraw/zinc/44/52/47/637445247.db2.gz XYHPKEGVOOKUIU-OKZBNKHCSA-N 1 3 294.483 3.046 20 0 CGADHO CC[NH+](CC)CCCC1CCN(CCOC(F)F)CC1 ZINC000851918643 637545568 /nfs/dbraw/zinc/54/55/68/637545568.db2.gz ATDFILNYVMNVBT-UHFFFAOYSA-N 1 3 292.414 3.060 20 0 CGADHO c1cnc2c(c1)cccc2CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871873 637715477 /nfs/dbraw/zinc/71/54/77/637715477.db2.gz DBPKCDWVDXEVPD-LJQANCHMSA-N 1 3 295.430 3.200 20 0 CGADHO c1cnc2c(c1)cccc2CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871872 637716036 /nfs/dbraw/zinc/71/60/36/637716036.db2.gz DBPKCDWVDXEVPD-IBGZPJMESA-N 1 3 295.430 3.200 20 0 CGADHO C[C@@H]1CC2(CC(NCCC[N@H+](C)C3CCCCC3)C2)CO1 ZINC000924601936 638372701 /nfs/dbraw/zinc/37/27/01/638372701.db2.gz TVELPVRZTGFJAH-KLHKWILBSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CC2(CC(NCCC[N@@H+](C)C3CCCCC3)C2)CO1 ZINC000924601936 638372708 /nfs/dbraw/zinc/37/27/08/638372708.db2.gz TVELPVRZTGFJAH-KLHKWILBSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[NH+](CCC)CCCNC1CC2(C1)CO[C@H](C)C2 ZINC000924929096 638426013 /nfs/dbraw/zinc/42/60/13/638426013.db2.gz CTQVNDURNAWTRE-KLAILNCOSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)[NH+](CCCNC1CC2(C1)COC(C)(C)C2)C(C)C ZINC000925194668 638473332 /nfs/dbraw/zinc/47/33/32/638473332.db2.gz CRVIQCYPLGFPLN-UHFFFAOYSA-N 1 3 296.499 3.433 20 0 CGADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219031 638478013 /nfs/dbraw/zinc/47/80/13/638478013.db2.gz AYWQMDXZQNWVDA-CRAIPNDOSA-N 1 3 296.499 3.313 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925222853 638478716 /nfs/dbraw/zinc/47/87/16/638478716.db2.gz UDAWLJCZJFPULN-ZFWWWQNUSA-N 1 3 250.430 3.172 20 0 CGADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925522114 638517789 /nfs/dbraw/zinc/51/77/89/638517789.db2.gz FMIDVJXIWSRIGH-XUWVNRHRSA-N 1 3 282.497 3.028 20 0 CGADHO CC[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(C)c1 ZINC000925575020 638534229 /nfs/dbraw/zinc/53/42/29/638534229.db2.gz FGNMXSGHFWXXPJ-HYVNUMGLSA-N 1 3 288.435 3.012 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925653908 638557684 /nfs/dbraw/zinc/55/76/84/638557684.db2.gz CARIBLFMEMZQFX-OKKOPOJRSA-N 1 3 288.410 3.190 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCCC(C)(C)[NH3+] ZINC000925737120 638590170 /nfs/dbraw/zinc/59/01/70/638590170.db2.gz FMCQPHBFAQSAQZ-OAHLLOKOSA-N 1 3 276.424 3.135 20 0 CGADHO CC(C)([NH3+])CCN[C@H]1CCc2cc(Cl)ccc21 ZINC000925742174 638592773 /nfs/dbraw/zinc/59/27/73/638592773.db2.gz ZBJUSJKGXNIXFU-ZDUSSCGKSA-N 1 3 252.789 3.044 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H]1c2ccccc2CC[C@H]1F ZINC000925770306 638604056 /nfs/dbraw/zinc/60/40/56/638604056.db2.gz JGWRLXJBGMOTTK-WQVCFCJDSA-N 1 3 264.388 3.119 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917194 638605157 /nfs/dbraw/zinc/60/51/57/638605157.db2.gz WPMVDGPIBYYOOK-JSGCOSHPSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917194 638605160 /nfs/dbraw/zinc/60/51/60/638605160.db2.gz WPMVDGPIBYYOOK-JSGCOSHPSA-N 1 3 293.842 3.044 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccsc1 ZINC000925776898 638608110 /nfs/dbraw/zinc/60/81/10/638608110.db2.gz NSIOHUQDMNXFRY-OLZOCXBDSA-N 1 3 288.407 3.424 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000925786770 638613773 /nfs/dbraw/zinc/61/37/73/638613773.db2.gz UMKPEFSOAUIWLG-NMKXLXIOSA-N 1 3 264.438 3.132 20 0 CGADHO C1=CCC(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925830852 638625860 /nfs/dbraw/zinc/62/58/60/638625860.db2.gz GBAQTARRABXNET-SJORKVTESA-N 1 3 262.441 3.101 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925862204 638633993 /nfs/dbraw/zinc/63/39/93/638633993.db2.gz YCJYSWOXYFFYGJ-APIJFGDWSA-N 1 3 294.508 3.171 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000925930817 638659028 /nfs/dbraw/zinc/65/90/28/638659028.db2.gz ZPYOEYQITUZHDI-AWEZNQCLSA-N 1 3 274.399 3.274 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C1CC1)C1CCOCC1)N1CCCCC1 ZINC000926140117 638719435 /nfs/dbraw/zinc/71/94/35/638719435.db2.gz BEFORFXHLNAEIL-QAPCUYQASA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1CCCO)N1CCCCC1 ZINC000926144341 638720729 /nfs/dbraw/zinc/72/07/29/638720729.db2.gz OPAVOSWUWZXNOS-KZNAEPCWSA-N 1 3 296.499 3.172 20 0 CGADHO CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)CN1CCCC1 ZINC000926276243 638757994 /nfs/dbraw/zinc/75/79/94/638757994.db2.gz VLPOQBPDUBJPEA-GOOCMWNKSA-N 1 3 282.497 3.125 20 0 CGADHO COCC1(CC[NH2+]C2CCN(CCC(C)C)CC2)CCC1 ZINC000926483840 638776015 /nfs/dbraw/zinc/77/60/15/638776015.db2.gz ZEKQAWMGRRFSSJ-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO CC[NH+]1CCC(NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000926973772 638830122 /nfs/dbraw/zinc/83/01/22/638830122.db2.gz BZTMPXJBGDOBKZ-HZPDHXFCSA-N 1 3 294.389 3.109 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780141 638950623 /nfs/dbraw/zinc/95/06/23/638950623.db2.gz LCGXGIKBCCPBTB-RHSMWYFYSA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780141 638950625 /nfs/dbraw/zinc/95/06/25/638950625.db2.gz LCGXGIKBCCPBTB-RHSMWYFYSA-N 1 3 278.415 3.173 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437467 639148679 /nfs/dbraw/zinc/14/86/79/639148679.db2.gz CJZYXKXWYVHFES-UXLLHSPISA-N 1 3 276.399 3.160 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437467 639148684 /nfs/dbraw/zinc/14/86/84/639148684.db2.gz CJZYXKXWYVHFES-UXLLHSPISA-N 1 3 276.399 3.160 20 0 CGADHO c1cc(Nc2ccnc(C3CC3)c2)cc(N2CC[NH2+]CC2)c1 ZINC001159366032 806087225 /nfs/dbraw/zinc/08/72/25/806087225.db2.gz ROIOLMDJHHRUBC-UHFFFAOYSA-N 1 3 294.402 3.112 20 0 CGADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC001253206940 806182245 /nfs/dbraw/zinc/18/22/45/806182245.db2.gz UMTULCBUTRGWGX-DLBZAZTESA-N 1 3 292.467 3.066 20 0 CGADHO CCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253539765 806242898 /nfs/dbraw/zinc/24/28/98/806242898.db2.gz ZIXIKTXWPSVEOM-RCCFBDPRSA-N 1 3 296.499 3.266 20 0 CGADHO CCCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253539765 806242905 /nfs/dbraw/zinc/24/29/05/806242905.db2.gz ZIXIKTXWPSVEOM-RCCFBDPRSA-N 1 3 296.499 3.266 20 0 CGADHO CCCCC[C@@H](O)CNC1CC[NH+](C(CC)CC)CC1 ZINC001253557506 806255585 /nfs/dbraw/zinc/25/55/85/806255585.db2.gz CALGNLORMNFRGN-QGZVFWFLSA-N 1 3 284.488 3.170 20 0 CGADHO C[N@@H+]1CCC[C@@H](NCc2csc3ccccc23)CC1 ZINC001254507756 806428397 /nfs/dbraw/zinc/42/83/97/806428397.db2.gz CZAGIIWLEGAZER-CQSZACIVSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@H+]1CCC[C@@H](NCc2csc3ccccc23)CC1 ZINC001254507756 806428400 /nfs/dbraw/zinc/42/84/00/806428400.db2.gz CZAGIIWLEGAZER-CQSZACIVSA-N 1 3 274.433 3.475 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254529826 806442854 /nfs/dbraw/zinc/44/28/54/806442854.db2.gz RIYDAPKJGKBZBL-IRXDYDNUSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529826 806442859 /nfs/dbraw/zinc/44/28/59/806442859.db2.gz RIYDAPKJGKBZBL-IRXDYDNUSA-N 1 3 273.424 3.011 20 0 CGADHO CN1CCC[C@H]([N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001254526942 806443380 /nfs/dbraw/zinc/44/33/80/806443380.db2.gz URQYEYRHOGNRLY-OWCLPIDISA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]([N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC001254526942 806443385 /nfs/dbraw/zinc/44/33/85/806443385.db2.gz URQYEYRHOGNRLY-OWCLPIDISA-N 1 3 250.430 3.125 20 0 CGADHO c1ccc2c(c1)CC(N[C@H]1CC[N@@H+](CC3CCCCC3)C1)C2 ZINC001255015525 806526085 /nfs/dbraw/zinc/52/60/85/806526085.db2.gz GUAAKPCSXBKIFU-IBGZPJMESA-N 1 3 298.474 3.398 20 0 CGADHO c1ccc2c(c1)CC(N[C@H]1CC[N@H+](CC3CCCCC3)C1)C2 ZINC001255015525 806526091 /nfs/dbraw/zinc/52/60/91/806526091.db2.gz GUAAKPCSXBKIFU-IBGZPJMESA-N 1 3 298.474 3.398 20 0 CGADHO CCCC[C@@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001255332900 806618208 /nfs/dbraw/zinc/61/82/08/806618208.db2.gz FUXDQVTUTZTRSO-OAHLLOKOSA-N 1 3 282.472 3.140 20 0 CGADHO C[C@H]1CCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397316 806631902 /nfs/dbraw/zinc/63/19/02/806631902.db2.gz FEJVSPSTPHXXBM-RDJZCZTQSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@H]1CCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397316 806631905 /nfs/dbraw/zinc/63/19/05/806631905.db2.gz FEJVSPSTPHXXBM-RDJZCZTQSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@H](CC(F)(F)F)[NH2+]CCCN1CCCC[C@H]1C ZINC001255634839 806686102 /nfs/dbraw/zinc/68/61/02/806686102.db2.gz ICMBKIJHLVQZIN-VXGBXAGGSA-N 1 3 266.351 3.181 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNCc2c(C)cc(C)cc2C)C1 ZINC000037643778 798871686 /nfs/dbraw/zinc/87/16/86/798871686.db2.gz IUEUYZNHEXQNPS-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO CC[N@H+]1CC[C@@H](CNCc2c(C)cc(C)cc2C)C1 ZINC000037643778 798871693 /nfs/dbraw/zinc/87/16/93/798871693.db2.gz IUEUYZNHEXQNPS-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000037643778 798871701 /nfs/dbraw/zinc/87/17/01/798871701.db2.gz IUEUYZNHEXQNPS-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)nc1 ZINC001255668236 806699611 /nfs/dbraw/zinc/69/96/11/806699611.db2.gz HXJZOPYEELMTDS-WZYMTQMTSA-N 1 3 273.424 3.056 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000315751903 799238984 /nfs/dbraw/zinc/23/89/84/799238984.db2.gz GRUJXUHSEIHOHH-LSDHHAIUSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451586 799379692 /nfs/dbraw/zinc/37/96/92/799379692.db2.gz GZWYOEYCBRKULK-SUMWQHHRSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451586 799379699 /nfs/dbraw/zinc/37/96/99/799379699.db2.gz GZWYOEYCBRKULK-SUMWQHHRSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CN(C)C ZINC000386431813 799436520 /nfs/dbraw/zinc/43/65/20/799436520.db2.gz BGCAWVAWSPHHNV-QKPAOTATSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCN(CC)C1 ZINC000401475529 799555815 /nfs/dbraw/zinc/55/58/15/799555815.db2.gz LGLCJHDOXMGOFE-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO CCCC[N@H+](C)CCCN[C@H](C)Cc1ccccc1F ZINC001255831104 806761130 /nfs/dbraw/zinc/76/11/30/806761130.db2.gz IYFDRQTZZRSAHX-OAHLLOKOSA-N 1 3 280.431 3.468 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@H](C)Cc1ccccc1F ZINC001255831104 806761132 /nfs/dbraw/zinc/76/11/32/806761132.db2.gz IYFDRQTZZRSAHX-OAHLLOKOSA-N 1 3 280.431 3.468 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC001255831104 806761136 /nfs/dbraw/zinc/76/11/36/806761136.db2.gz IYFDRQTZZRSAHX-OAHLLOKOSA-N 1 3 280.431 3.468 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1(Cl)CC1 ZINC000695634707 799830133 /nfs/dbraw/zinc/83/01/33/799830133.db2.gz BGIRCOHNGVIJAR-QWHCGFSZSA-N 1 3 258.837 3.000 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647973 799831010 /nfs/dbraw/zinc/83/10/10/799831010.db2.gz KRWGFYWGUYKCCH-HOCLYGCPSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647973 799831015 /nfs/dbraw/zinc/83/10/15/799831015.db2.gz KRWGFYWGUYKCCH-HOCLYGCPSA-N 1 3 292.854 3.258 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1ccccc1F ZINC001255941346 806790444 /nfs/dbraw/zinc/79/04/44/806790444.db2.gz OUBYRMBUUKEVPU-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccccc1F ZINC001255941346 806790447 /nfs/dbraw/zinc/79/04/47/806790447.db2.gz OUBYRMBUUKEVPU-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC001255945662 806792655 /nfs/dbraw/zinc/79/26/55/806792655.db2.gz HRKILRZSAPDODM-INIZCTEOSA-N 1 3 277.456 3.033 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001255947578 806793037 /nfs/dbraw/zinc/79/30/37/806793037.db2.gz SSWJOPWXGVRQST-HUUCEWRRSA-N 1 3 278.440 3.206 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001255948467 806793400 /nfs/dbraw/zinc/79/34/00/806793400.db2.gz LQFSDWYELQBDBP-CVEARBPZSA-N 1 3 292.467 3.423 20 0 CGADHO C1C[C@@]2(C[N@H+]1C1CCCCCCC1)CCCNC2 ZINC000709792137 800019399 /nfs/dbraw/zinc/01/93/99/800019399.db2.gz XZHFNFPPUHBYFE-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO C1C[C@@]2(C[N@@H+]1C1CCCCCCC1)CCCNC2 ZINC000709792137 800019393 /nfs/dbraw/zinc/01/93/93/800019393.db2.gz XZHFNFPPUHBYFE-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001255953831 806796428 /nfs/dbraw/zinc/79/64/28/806796428.db2.gz VRVDQEZCKNUNIS-HOCLYGCPSA-N 1 3 292.492 3.413 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000710294204 800031948 /nfs/dbraw/zinc/03/19/48/800031948.db2.gz ZMZMHZLWVZUBOD-LLVKDONJSA-N 1 3 264.438 3.062 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001255954892 806798627 /nfs/dbraw/zinc/79/86/27/806798627.db2.gz KJLHKTAAGVCIBI-KBXCAEBGSA-N 1 3 292.442 3.393 20 0 CGADHO CCC1([NH3+])CCN(Cc2ccccc2C2CC2)CC1 ZINC000714758179 800128555 /nfs/dbraw/zinc/12/85/55/800128555.db2.gz LREYLNDTTQEXQF-UHFFFAOYSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000716533877 800174720 /nfs/dbraw/zinc/17/47/20/800174720.db2.gz UWEQUHCJGUPXRO-NFMPMUIRSA-N 1 3 256.393 3.013 20 0 CGADHO CC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716709689 800178600 /nfs/dbraw/zinc/17/86/00/800178600.db2.gz CPTWEKNWMGTHPD-SPUZQDLCSA-N 1 3 272.436 3.428 20 0 CGADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716715516 800179014 /nfs/dbraw/zinc/17/90/14/800179014.db2.gz CIUNHLPCHVDAMN-WRNCNIFXSA-N 1 3 284.447 3.285 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477046 807174729 /nfs/dbraw/zinc/17/47/29/807174729.db2.gz ICXMFQRQGGZBMX-VQHPVUNQSA-N 1 3 266.473 3.475 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477046 807174732 /nfs/dbraw/zinc/17/47/32/807174732.db2.gz ICXMFQRQGGZBMX-VQHPVUNQSA-N 1 3 266.473 3.475 20 0 CGADHO Cc1nc(CNCCCCCCC[NH+](C)C)sc1C ZINC000892730767 800568526 /nfs/dbraw/zinc/56/85/26/800568526.db2.gz JWECWFUAUAWTLJ-UHFFFAOYSA-N 1 3 283.485 3.362 20 0 CGADHO CCCCc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC001256194627 806847988 /nfs/dbraw/zinc/84/79/88/806847988.db2.gz KDWLXLPSNWWPFV-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO C[NH+](C)Cc1cccc(CNc2c[nH]cc3ccnc2-3)c1 ZINC001163994686 806870959 /nfs/dbraw/zinc/87/09/59/806870959.db2.gz OHXCJEHDHBRLIJ-UHFFFAOYSA-N 1 3 280.375 3.237 20 0 CGADHO C[NH+](C)Cc1cccc(CNc2cncc3cc[nH]c32)c1 ZINC001163994686 806870963 /nfs/dbraw/zinc/87/09/63/806870963.db2.gz OHXCJEHDHBRLIJ-UHFFFAOYSA-N 1 3 280.375 3.237 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCCC(F)(F)CC2)CC1 ZINC001256569179 806917493 /nfs/dbraw/zinc/91/74/93/806917493.db2.gz SVJCKOISRZKUBB-UHFFFAOYSA-N 1 3 274.399 3.371 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCCC(F)(F)CC2)CC1 ZINC001256569179 806917499 /nfs/dbraw/zinc/91/74/99/806917499.db2.gz SVJCKOISRZKUBB-UHFFFAOYSA-N 1 3 274.399 3.371 20 0 CGADHO CN1CC2(C1)CC[NH+](CCc1cccc3ccccc31)CC2 ZINC001278020274 809111820 /nfs/dbraw/zinc/11/18/20/809111820.db2.gz DZDLLHRWOWALEU-UHFFFAOYSA-N 1 3 294.442 3.410 20 0 CGADHO CCc1cc(CN2CCC[C@](C)([NH3+])CC2)cc(CC)c1O ZINC001205280988 812929246 /nfs/dbraw/zinc/92/92/46/812929246.db2.gz NOPOJHDWPFZQPJ-SFHVURJKSA-N 1 3 290.451 3.220 20 0 CGADHO CCN(CC)Cc1ccc(C2=C[NH2+]CCC2)cc1F ZINC001243951435 803097660 /nfs/dbraw/zinc/09/76/60/803097660.db2.gz GJGGCDKENUVAPK-UHFFFAOYSA-N 1 3 262.372 3.392 20 0 CGADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2ccccc12 ZINC001138016751 803826002 /nfs/dbraw/zinc/82/60/02/803826002.db2.gz OIOAXKURLMJYQU-CALCHBBNSA-N 1 3 280.415 3.142 20 0 CGADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2ccccc12 ZINC001138016751 803826010 /nfs/dbraw/zinc/82/60/10/803826010.db2.gz OIOAXKURLMJYQU-CALCHBBNSA-N 1 3 280.415 3.142 20 0 CGADHO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001138400179 803917805 /nfs/dbraw/zinc/91/78/05/803917805.db2.gz MWJVSGQNGJEDRF-GOSISDBHSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001138400179 803917808 /nfs/dbraw/zinc/91/78/08/803917808.db2.gz MWJVSGQNGJEDRF-GOSISDBHSA-N 1 3 283.419 3.004 20 0 CGADHO C1CCC2(CC1)CCC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246073693 804111676 /nfs/dbraw/zinc/11/16/76/804111676.db2.gz YVXCUMQOTYQFHM-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC1(N)CCCC1 ZINC001246074550 804114645 /nfs/dbraw/zinc/11/46/45/804114645.db2.gz DVTSGYWQQNNSTM-NSHDSACASA-N 1 3 284.806 3.271 20 0 CGADHO CC1(C)C[C@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246074809 804114957 /nfs/dbraw/zinc/11/49/57/804114957.db2.gz GDRGPDWNFOOVHU-LLVKDONJSA-N 1 3 284.806 3.142 20 0 CGADHO CC(C)(C)C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089438 804121925 /nfs/dbraw/zinc/12/19/25/804121925.db2.gz FFCZUNYISFPWKK-YMAMQOFZSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccccc2OC)CC[NH2+]1 ZINC001246092343 804123313 /nfs/dbraw/zinc/12/33/13/804123313.db2.gz AKEALMIDZQYTEW-DLBZAZTESA-N 1 3 290.451 3.138 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246096323 804128883 /nfs/dbraw/zinc/12/88/83/804128883.db2.gz MIBILLDEWFIHFO-JYJNAYRXSA-N 1 3 292.492 3.453 20 0 CGADHO CCCC1CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246102781 804135685 /nfs/dbraw/zinc/13/56/85/804135685.db2.gz FMUWQJKZPVCVKW-LMPOIIKSSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC001246112849 804144619 /nfs/dbraw/zinc/14/46/19/804144619.db2.gz OWXCSHZFEDCNCZ-JYJNAYRXSA-N 1 3 292.492 3.311 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)N[C@@H]1CCC[NH2+]C1 ZINC001246112899 804144817 /nfs/dbraw/zinc/14/48/17/804144817.db2.gz VDOFYEBUCFYFAV-UONOGXRCSA-N 1 3 296.480 3.412 20 0 CGADHO CCCCC[C@@H](CC)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116582 804147527 /nfs/dbraw/zinc/14/75/27/804147527.db2.gz WPELWVZTLICHOO-CHWSQXEVSA-N 1 3 280.378 3.477 20 0 CGADHO CCCCCC[C@@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246115666 804148343 /nfs/dbraw/zinc/14/83/43/804148343.db2.gz RYKJVGKWYSEIQN-CABCVRRESA-N 1 3 258.425 3.417 20 0 CGADHO CC1(C)CCC[C@@H](NC[C@]2(F)CCCC[NH2+]C2)C1 ZINC001246116163 804148617 /nfs/dbraw/zinc/14/86/17/804148617.db2.gz VBPSDECQVMIDIJ-HIFRSBDPSA-N 1 3 256.409 3.027 20 0 CGADHO CCCC1CCC(NC[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246116069 804148625 /nfs/dbraw/zinc/14/86/25/804148625.db2.gz UMVDREQUVRRGTG-JXQTWKCFSA-N 1 3 292.389 3.477 20 0 CGADHO CCCCCC1CCC([NH2+][C@@H]2CNC[C@@H]2C)CC1 ZINC001246117904 804149679 /nfs/dbraw/zinc/14/96/79/804149679.db2.gz TZJZMCIGIJVYPZ-SLTXQBBLSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NC[C@@H]1CCCC[NH2+]C1 ZINC001246118598 804151236 /nfs/dbraw/zinc/15/12/36/804151236.db2.gz SQQBBJWZZWONRG-UONOGXRCSA-N 1 3 296.455 3.286 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(F)CCNC1 ZINC001246150294 804169090 /nfs/dbraw/zinc/16/90/90/804169090.db2.gz VWDSRYSUAYPAKS-SJORKVTESA-N 1 3 278.415 3.079 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@H](C(C)C)C2)cc1C ZINC001246162963 804178866 /nfs/dbraw/zinc/17/88/66/804178866.db2.gz STYKAEROKBPXNV-ROUUACIJSA-N 1 3 274.452 3.212 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(Cl)c2)C[C@H](C)N1 ZINC001246174186 804187565 /nfs/dbraw/zinc/18/75/65/804187565.db2.gz JBXZZUZMAOUJFM-AGGWBTHJSA-N 1 3 296.842 3.228 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246174056 804187756 /nfs/dbraw/zinc/18/77/56/804187756.db2.gz WLQPGVUSXFRTPR-WRECPOHLSA-N 1 3 276.468 3.323 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246172688 804188203 /nfs/dbraw/zinc/18/82/03/804188203.db2.gz DLIGTYWZDLRDNQ-HOTGVXAUSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246178709 804192268 /nfs/dbraw/zinc/19/22/68/804192268.db2.gz OBXXYPKQPCBNCV-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO COc1ccc2cc(CC[C@H](C)[NH2+]C[C@H]3CCN3)ccc2c1 ZINC001246197781 804203594 /nfs/dbraw/zinc/20/35/94/804203594.db2.gz ANZIPXJRBXSTOP-KBXCAEBGSA-N 1 3 298.430 3.121 20 0 CGADHO CC[C@@H]1CC(N[C@H]2C[C@@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246214186 804212302 /nfs/dbraw/zinc/21/23/02/804212302.db2.gz YRZPISIYLUDILM-AHCXZYCDSA-N 1 3 272.436 3.441 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246217965 804213271 /nfs/dbraw/zinc/21/32/71/804213271.db2.gz OUEFLQFIWTUVGB-GVDBMIGSSA-N 1 3 278.415 3.078 20 0 CGADHO CCCC[C@@H](CC)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246227388 804220518 /nfs/dbraw/zinc/22/05/18/804220518.db2.gz COMLLKBGJDFWGS-HUUCEWRRSA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246231734 804224566 /nfs/dbraw/zinc/22/45/66/804224566.db2.gz DTSPZXONPINDAU-SJORKVTESA-N 1 3 290.451 3.138 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CCc2ccc(OC)cc2)CCN1 ZINC001246231734 804224572 /nfs/dbraw/zinc/22/45/72/804224572.db2.gz DTSPZXONPINDAU-SJORKVTESA-N 1 3 290.451 3.138 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246232762 804225131 /nfs/dbraw/zinc/22/51/31/804225131.db2.gz ZFAHJTROFVPSIQ-SQNIBIBYSA-N 1 3 296.499 3.218 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCCC2)CCN1 ZINC001246232762 804225142 /nfs/dbraw/zinc/22/51/42/804225142.db2.gz ZFAHJTROFVPSIQ-SQNIBIBYSA-N 1 3 296.499 3.218 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255542 804241156 /nfs/dbraw/zinc/24/11/56/804241156.db2.gz BYXQZQKOSYEJHA-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO C[NH2+]CC[C@H](C)NCCc1cc(Cl)cc(Cl)c1 ZINC001246268586 804247967 /nfs/dbraw/zinc/24/79/67/804247967.db2.gz WOHYVIWGHWHUPQ-JTQLQIEISA-N 1 3 275.223 3.124 20 0 CGADHO CC[C@H]1CC(N[C@@H]2C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246274288 804250771 /nfs/dbraw/zinc/25/07/71/804250771.db2.gz YRZPISIYLUDILM-UOVPBQLFSA-N 1 3 272.436 3.441 20 0 CGADHO C[C@@H](CCN)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246299965 804265803 /nfs/dbraw/zinc/26/58/03/804265803.db2.gz KVLIVYMGHQARNT-CABZTGNLSA-N 1 3 287.234 3.178 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246305090 804269492 /nfs/dbraw/zinc/26/94/92/804269492.db2.gz OONTYHUWMYUTSR-HZPDHXFCSA-N 1 3 292.854 3.318 20 0 CGADHO C[C@H]1CC([NH2+]C(C)(C)Cc2ccccc2F)C[C@H](C)N1 ZINC001246309728 804271399 /nfs/dbraw/zinc/27/13/99/804271399.db2.gz NXXXHMPIURCCCA-STQMWFEESA-N 1 3 278.415 3.265 20 0 CGADHO C[C@H]1CC(NC(C)(C)Cc2ccccc2F)C[C@H](C)[NH2+]1 ZINC001246309728 804271406 /nfs/dbraw/zinc/27/14/06/804271406.db2.gz NXXXHMPIURCCCA-STQMWFEESA-N 1 3 278.415 3.265 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246310795 804273522 /nfs/dbraw/zinc/27/35/22/804273522.db2.gz QUCCPNNANWJAFJ-IKGGRYGDSA-N 1 3 292.854 3.318 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC001246324487 804281980 /nfs/dbraw/zinc/28/19/80/804281980.db2.gz HEENFADVYGTYLN-JKSUJKDBSA-N 1 3 252.446 3.467 20 0 CGADHO C1[C@@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C12CCCC2 ZINC001246331561 804286478 /nfs/dbraw/zinc/28/64/78/804286478.db2.gz CNFSPRAKWQAKJC-LSDHHAIUSA-N 1 3 262.441 3.364 20 0 CGADHO C1[C@H](N[C@H]2CC[NH2+]C3(CCCCC3)C2)C12CCCC2 ZINC001246331555 804286523 /nfs/dbraw/zinc/28/65/23/804286523.db2.gz CNFSPRAKWQAKJC-GJZGRUSLSA-N 1 3 262.441 3.364 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@H]2CC23CCCC3)CC[NH2+]1 ZINC001246336161 804290979 /nfs/dbraw/zinc/29/09/79/804290979.db2.gz TYKWAURFAHCHLZ-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO CCCC1CCC([NH2+]C2C[C@@H](C)N[C@H](C)C2)CC1 ZINC001246336527 804291425 /nfs/dbraw/zinc/29/14/25/804291425.db2.gz GIYIRHCUXKINKZ-LMRVLLHPSA-N 1 3 252.446 3.464 20 0 CGADHO Cc1ccc(Cl)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC001246341653 804295076 /nfs/dbraw/zinc/29/50/76/804295076.db2.gz BPZUZGMOMYQDSH-FUNVUKJBSA-N 1 3 296.817 3.203 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC1(C)C ZINC001246371953 804309355 /nfs/dbraw/zinc/30/93/55/804309355.db2.gz KIRCLYVXCGSIQU-IUODEOHRSA-N 1 3 296.455 3.284 20 0 CGADHO CC(C)CC1([NH2+][C@H]2CN[C@H](C)C2)CCC(F)(F)CC1 ZINC001246371834 804310086 /nfs/dbraw/zinc/31/00/86/804310086.db2.gz WTVHACBCAFSJEP-CHWSQXEVSA-N 1 3 274.399 3.321 20 0 CGADHO CCCCC[C@@H](C)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246380118 804313437 /nfs/dbraw/zinc/31/34/37/804313437.db2.gz FAXXCBNKOWVHOF-CQSZACIVSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC(C)(C)CC2CCC2)CCN1 ZINC001246387488 804317700 /nfs/dbraw/zinc/31/77/00/804317700.db2.gz FZQZHYKDBMFBKR-LSDHHAIUSA-N 1 3 252.446 3.323 20 0 CGADHO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001139892462 804318496 /nfs/dbraw/zinc/31/84/96/804318496.db2.gz QNRNTCAZYIADHD-DNVCBOLYSA-N 1 3 298.405 3.362 20 0 CGADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001139892462 804318505 /nfs/dbraw/zinc/31/85/05/804318505.db2.gz QNRNTCAZYIADHD-DNVCBOLYSA-N 1 3 298.405 3.362 20 0 CGADHO Cc1ccccc1CC1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246396953 804322427 /nfs/dbraw/zinc/32/24/27/804322427.db2.gz RBNIHNBJIRMSIQ-RDJZCZTQSA-N 1 3 272.436 3.048 20 0 CGADHO CCC1([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCNCC1 ZINC001246423626 804327074 /nfs/dbraw/zinc/32/70/74/804327074.db2.gz MRCREHRJJBCHGY-MRXNPFEDSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246431044 804329351 /nfs/dbraw/zinc/32/93/51/804329351.db2.gz INULDZZTJGHIQS-CJNGLKHVSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246431056 804330556 /nfs/dbraw/zinc/33/05/56/804330556.db2.gz IWIAYZZVBUAOTH-ZFWWWQNUSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CCNCC2)C1 ZINC001246432798 804332043 /nfs/dbraw/zinc/33/20/43/804332043.db2.gz YBFPMMVNOPAVOC-KBPBESRZSA-N 1 3 276.399 3.183 20 0 CGADHO C[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)C[C@H](C)[NH2+]1 ZINC001246435523 804332581 /nfs/dbraw/zinc/33/25/81/804332581.db2.gz SPQNBKXGLAUHTK-MIFYACCESA-N 1 3 290.426 3.410 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)C[C@H](C)N1 ZINC001246435523 804332589 /nfs/dbraw/zinc/33/25/89/804332589.db2.gz SPQNBKXGLAUHTK-MIFYACCESA-N 1 3 290.426 3.410 20 0 CGADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3)C2(C)C ZINC001246443214 804333754 /nfs/dbraw/zinc/33/37/54/804333754.db2.gz MEBGKDRHLRVKTA-HZLIJHQHSA-N 1 3 276.468 3.320 20 0 CGADHO C[C@@H]1CC([NH2+]CC2(Cc3cccc(F)c3)CC2)C[C@@H](C)N1 ZINC001246441143 804333948 /nfs/dbraw/zinc/33/39/48/804333948.db2.gz YVDSODSEXNFXRD-ZIAGYGMSSA-N 1 3 290.426 3.267 20 0 CGADHO c1ccc2c(c1)CC([NH2+]C1(CC3CCC3)CCNCC1)C2 ZINC001246450044 804335924 /nfs/dbraw/zinc/33/59/24/804335924.db2.gz ZNCSSQWOEBDHKQ-UHFFFAOYSA-N 1 3 284.447 3.056 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246456414 804338467 /nfs/dbraw/zinc/33/84/67/804338467.db2.gz ABNKVVIIXYYOOK-HONMWMINSA-N 1 3 286.341 3.106 20 0 CGADHO CC[C@@]1(CN[C@@H]2C[C@H](C)CC(C)(C)C2)CCC[NH2+]1 ZINC001246455664 804338591 /nfs/dbraw/zinc/33/85/91/804338591.db2.gz IWRTXCAYIIOANS-LZWOXQAQSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[C@@]1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246459873 804339421 /nfs/dbraw/zinc/33/94/21/804339421.db2.gz HQKYWPHCJCJOKT-XQQFMLRXSA-N 1 3 278.362 3.229 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC2(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246467023 804346648 /nfs/dbraw/zinc/34/66/48/804346648.db2.gz RPSZIQZSAZEUCB-IRXDYDNUSA-N 1 3 290.426 3.267 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCNCC34CC4)C2)cc1 ZINC001246472259 804348961 /nfs/dbraw/zinc/34/89/61/804348961.db2.gz HSGLRDGZSYLIKI-KZNAEPCWSA-N 1 3 284.447 3.445 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCNCC12CC2 ZINC001246473677 804351088 /nfs/dbraw/zinc/35/10/88/804351088.db2.gz MPIOCEARYFIMPF-ROUUACIJSA-N 1 3 286.463 3.376 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246496240 804360813 /nfs/dbraw/zinc/36/08/13/804360813.db2.gz TWHCNVIZQDMRAS-KHMAMNHCSA-N 1 3 252.446 3.177 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246498641 804363255 /nfs/dbraw/zinc/36/32/55/804363255.db2.gz WIEJAGXYYOAVKB-RJSVMHHESA-N 1 3 284.447 3.153 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H](C2CCC2)C2CNC2)cc1 ZINC001246512131 804367223 /nfs/dbraw/zinc/36/72/23/804367223.db2.gz ARJXLCIBLRVMNJ-HNAYVOBHSA-N 1 3 286.463 3.294 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246512133 804368454 /nfs/dbraw/zinc/36/84/54/804368454.db2.gz ASUXABTZZOJOIH-GRDNDAEWSA-N 1 3 266.473 3.425 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531311 804382899 /nfs/dbraw/zinc/38/28/99/804382899.db2.gz DLAGXHHSEAILOA-IAGOWNOFSA-N 1 3 272.436 3.211 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246549095 804397431 /nfs/dbraw/zinc/39/74/31/804397431.db2.gz HAPJEUANMIZYOW-HRCADAONSA-N 1 3 292.492 3.392 20 0 CGADHO CCc1ccc(C[C@@H](C)N2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001246549479 804398053 /nfs/dbraw/zinc/39/80/53/804398053.db2.gz JAZOYEOAYDPQEL-QAPCUYQASA-N 1 3 274.452 3.111 20 0 CGADHO CCCC[C@H]1C[C@H](N2CCC(C)(F)CC2)CC[NH2+]1 ZINC001246548772 804398509 /nfs/dbraw/zinc/39/85/09/804398509.db2.gz GNUCWGOWGXBDMR-UONOGXRCSA-N 1 3 256.409 3.121 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001246550272 804400178 /nfs/dbraw/zinc/40/01/78/804400178.db2.gz JGBVQJNETXSHHC-KBAYOESNSA-N 1 3 274.452 3.315 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001246550272 804400184 /nfs/dbraw/zinc/40/01/84/804400184.db2.gz JGBVQJNETXSHHC-KBAYOESNSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@@H]1CN(C2CCC3(CCc4ccccc43)CC2)C[C@H]1[NH3+] ZINC001246568242 804415765 /nfs/dbraw/zinc/41/57/65/804415765.db2.gz QKGCZVVZMJJFJD-FIHXEBHWSA-N 1 3 284.447 3.092 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)CC2)CCN1 ZINC001246587244 804429358 /nfs/dbraw/zinc/42/93/58/804429358.db2.gz QBSJSGXIKNDENJ-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)CC2)CCN1 ZINC001246587244 804429362 /nfs/dbraw/zinc/42/93/62/804429362.db2.gz QBSJSGXIKNDENJ-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[N@H+]([C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCNCC1 ZINC001246590608 804433672 /nfs/dbraw/zinc/43/36/72/804433672.db2.gz HJHRJGDMFRTWPB-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCNCC1 ZINC001246590608 804433675 /nfs/dbraw/zinc/43/36/75/804433675.db2.gz HJHRJGDMFRTWPB-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CC(C)(C[NH3+])C1 ZINC001246594475 804435321 /nfs/dbraw/zinc/43/53/21/804435321.db2.gz GQPWJUHVWHHYQU-MRXNPFEDSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@H]1C ZINC001246611598 804445609 /nfs/dbraw/zinc/44/56/09/804445609.db2.gz GQTVJNMKWKMXNW-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CC[C@@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246616434 804449670 /nfs/dbraw/zinc/44/96/70/804449670.db2.gz WHKKOKMWGZMOLG-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246632494 804462723 /nfs/dbraw/zinc/46/27/23/804462723.db2.gz VXVJIQMEOTWDSJ-WMLDXEAASA-N 1 3 292.854 3.347 20 0 CGADHO CC(C)CCC[C@@H](C)[N@@H+]1CCCC12CCNCC2 ZINC001246642566 804470438 /nfs/dbraw/zinc/47/04/38/804470438.db2.gz CJFVQAADWLPQMC-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[C@@H](C)[N@H+]1CCCC12CCNCC2 ZINC001246642566 804470441 /nfs/dbraw/zinc/47/04/41/804470441.db2.gz CJFVQAADWLPQMC-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643715 804470779 /nfs/dbraw/zinc/47/07/79/804470779.db2.gz CPQFDSYGUNMSDN-WNRNVDISSA-N 1 3 270.420 3.007 20 0 CGADHO C[C@@H]1C[C@@H](N2CCCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644622 804471669 /nfs/dbraw/zinc/47/16/69/804471669.db2.gz RQFIGOUERITJIA-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO [NH3+]CC12CC(C1)CN2[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246644358 804472655 /nfs/dbraw/zinc/47/26/55/804472655.db2.gz GTDXPGSLFUIEOP-YCHGYYGWSA-N 1 3 270.420 3.136 20 0 CGADHO C[C@@H]1CC[C@@H]([N@@H+]2CCCC23CCNCC3)C[C@H]1C ZINC001246646210 804474226 /nfs/dbraw/zinc/47/42/26/804474226.db2.gz PACPLOQRUHFBIT-RBSFLKMASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@@H]([N@H+]2CCCC23CCNCC3)C[C@H]1C ZINC001246646210 804474229 /nfs/dbraw/zinc/47/42/29/804474229.db2.gz PACPLOQRUHFBIT-RBSFLKMASA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@@H+]1CCCC12CCNCC2 ZINC001246649986 804476795 /nfs/dbraw/zinc/47/67/95/804476795.db2.gz AMYJYCKJIXGPFK-OAHLLOKOSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@H+]1CCCC12CCNCC2 ZINC001246649986 804476797 /nfs/dbraw/zinc/47/67/97/804476797.db2.gz AMYJYCKJIXGPFK-OAHLLOKOSA-N 1 3 250.430 3.339 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC(C)(C)C1 ZINC001246688710 804497280 /nfs/dbraw/zinc/49/72/80/804497280.db2.gz HFTXLFOKSWPOJJ-DLTWYDFYSA-N 1 3 282.447 3.225 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC(C)(C)C1 ZINC001246688710 804497283 /nfs/dbraw/zinc/49/72/83/804497283.db2.gz HFTXLFOKSWPOJJ-DLTWYDFYSA-N 1 3 282.447 3.225 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246693762 804498629 /nfs/dbraw/zinc/49/86/29/804498629.db2.gz QPRMWSDZFBMRNW-DLBZAZTESA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246693762 804498633 /nfs/dbraw/zinc/49/86/33/804498633.db2.gz QPRMWSDZFBMRNW-DLBZAZTESA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246692190 804499650 /nfs/dbraw/zinc/49/96/50/804499650.db2.gz MZOFIMHQMBGUFA-HRCADAONSA-N 1 3 270.436 3.225 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246692190 804499654 /nfs/dbraw/zinc/49/96/54/804499654.db2.gz MZOFIMHQMBGUFA-HRCADAONSA-N 1 3 270.436 3.225 20 0 CGADHO CCCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246778763 804506671 /nfs/dbraw/zinc/50/66/71/804506671.db2.gz XFXDAILCJUEZNM-ZSHCYNCHSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(CCc3ccccc3)CC2)CCN1 ZINC001246779474 804506873 /nfs/dbraw/zinc/50/68/73/804506873.db2.gz HSGDPFNAOSFWKK-VQIMIIECSA-N 1 3 286.463 3.472 20 0 CGADHO c1ccc(C2CCC([N@@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246790828 804513558 /nfs/dbraw/zinc/51/35/58/804513558.db2.gz HTYISKCFZJIMGU-UHFFFAOYSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc(C2CCC([N@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246790828 804513561 /nfs/dbraw/zinc/51/35/61/804513561.db2.gz HTYISKCFZJIMGU-UHFFFAOYSA-N 1 3 284.447 3.398 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789024 804514114 /nfs/dbraw/zinc/51/41/14/804514114.db2.gz ANUAAKXLZWEFJS-SFHVURJKSA-N 1 3 286.463 3.473 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246789024 804514120 /nfs/dbraw/zinc/51/41/20/804514120.db2.gz ANUAAKXLZWEFJS-SFHVURJKSA-N 1 3 286.463 3.473 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N1CCCC2(C[NH2+]C2)C1 ZINC001246789024 804514124 /nfs/dbraw/zinc/51/41/24/804514124.db2.gz ANUAAKXLZWEFJS-SFHVURJKSA-N 1 3 286.463 3.473 20 0 CGADHO CCN([C@@H](C)CSc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246797361 804519322 /nfs/dbraw/zinc/51/93/22/804519322.db2.gz OFYLYUNWQBWJRZ-ZDUSSCGKSA-N 1 3 296.455 3.380 20 0 CGADHO CC[N@H+]([C@@H](C)CSc1ccc(F)cc1)C1CCNCC1 ZINC001246797361 804519326 /nfs/dbraw/zinc/51/93/26/804519326.db2.gz OFYLYUNWQBWJRZ-ZDUSSCGKSA-N 1 3 296.455 3.380 20 0 CGADHO CC[N@@H+]([C@@H](C)CSc1ccc(F)cc1)C1CCNCC1 ZINC001246797361 804519330 /nfs/dbraw/zinc/51/93/30/804519330.db2.gz OFYLYUNWQBWJRZ-ZDUSSCGKSA-N 1 3 296.455 3.380 20 0 CGADHO CN(CCc1cccs1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246796907 804519890 /nfs/dbraw/zinc/51/98/90/804519890.db2.gz NTNQZGKDDOWWTG-UKRRQHHQSA-N 1 3 280.481 3.389 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC001246840106 804548154 /nfs/dbraw/zinc/54/81/54/804548154.db2.gz FDSNMUXPQIPMIA-HRCADAONSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC001246840106 804548158 /nfs/dbraw/zinc/54/81/58/804548158.db2.gz FDSNMUXPQIPMIA-HRCADAONSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@@H]1CC[C@H](n2c3ccccc3nc2[C@H]2CCCCN2)C[NH2+]1 ZINC001246847204 804556480 /nfs/dbraw/zinc/55/64/80/804556480.db2.gz JQAIBBOZKOLMMH-IJEWVQPXSA-N 1 3 298.434 3.164 20 0 CGADHO CC(C)[C@H]1C[C@H]([N@H+](C)CC2CCCCC2)CCN1 ZINC001246847311 804556808 /nfs/dbraw/zinc/55/68/08/804556808.db2.gz SPCDBMWUYXFDPU-HZPDHXFCSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@H]1C[C@H]([N@@H+](C)CC2CCCCC2)CCN1 ZINC001246847311 804556815 /nfs/dbraw/zinc/55/68/15/804556815.db2.gz SPCDBMWUYXFDPU-HZPDHXFCSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856206 804563452 /nfs/dbraw/zinc/56/34/52/804563452.db2.gz ZQXIHRAEFCFUEE-QILLFSRXSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856206 804563455 /nfs/dbraw/zinc/56/34/55/804563455.db2.gz ZQXIHRAEFCFUEE-QILLFSRXSA-N 1 3 290.426 3.221 20 0 CGADHO CCCCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880747 804576034 /nfs/dbraw/zinc/57/60/34/804576034.db2.gz QSHKPERLUXMDCJ-UHOSZYNNSA-N 1 3 286.463 3.428 20 0 CGADHO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(C(C)(C)C)c1)C2 ZINC001141105965 804589736 /nfs/dbraw/zinc/58/97/36/804589736.db2.gz HIDYCHMOEPCKQM-IEBWSBKVSA-N 1 3 286.463 3.368 20 0 CGADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(C(C)(C)C)c1)C2 ZINC001141105965 804589739 /nfs/dbraw/zinc/58/97/39/804589739.db2.gz HIDYCHMOEPCKQM-IEBWSBKVSA-N 1 3 286.463 3.368 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246947389 804614509 /nfs/dbraw/zinc/61/45/09/804614509.db2.gz XMRRQHPAVULNPI-NVXWUHKLSA-N 1 3 272.436 3.181 20 0 CGADHO CCCCCC[C@@H](C)[N@H+](CCOCC)C1CCNCC1 ZINC001246949939 804616492 /nfs/dbraw/zinc/61/64/92/804616492.db2.gz MDEXPIPXNYQEGM-MRXNPFEDSA-N 1 3 284.488 3.436 20 0 CGADHO CCCCCC[C@@H](C)[N@@H+](CCOCC)C1CCNCC1 ZINC001246949939 804616495 /nfs/dbraw/zinc/61/64/95/804616495.db2.gz MDEXPIPXNYQEGM-MRXNPFEDSA-N 1 3 284.488 3.436 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC001246964230 804619384 /nfs/dbraw/zinc/61/93/84/804619384.db2.gz BXKXUSOBZOWSIJ-GDBMZVCRSA-N 1 3 278.465 3.146 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246967217 804620364 /nfs/dbraw/zinc/62/03/64/804620364.db2.gz MKVWBNLMABDUDA-UAGQMJEPSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246967217 804620370 /nfs/dbraw/zinc/62/03/70/804620370.db2.gz MKVWBNLMABDUDA-UAGQMJEPSA-N 1 3 258.409 3.354 20 0 CGADHO Cc1cc(CN2CCC3(C[NH+](C)C3)CC2)ccc1Cl ZINC001141236789 804621176 /nfs/dbraw/zinc/62/11/76/804621176.db2.gz ZWHLMACKQAHXCP-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@@](C)(C[NH3+])C1 ZINC001247006258 804637119 /nfs/dbraw/zinc/63/71/19/804637119.db2.gz XMSMJNBPDTWMGW-CJNGLKHVSA-N 1 3 280.843 3.332 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cccc(CC)c1 ZINC001144326466 804973884 /nfs/dbraw/zinc/97/38/84/804973884.db2.gz AVTUAFMQOIDQPT-UHFFFAOYSA-N 1 3 262.441 3.413 20 0 CGADHO COc1cccc(CCN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC001257217531 807064948 /nfs/dbraw/zinc/06/49/48/807064948.db2.gz OCRLCGMEEYRPQW-UHFFFAOYSA-N 1 3 290.451 3.042 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001167048618 807136215 /nfs/dbraw/zinc/13/62/15/807136215.db2.gz HSCUZDIVCXXKIJ-HUUCEWRRSA-N 1 3 252.446 3.371 20 0 CGADHO CCCC[C@@H](CC)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001257422251 807147244 /nfs/dbraw/zinc/14/72/44/807147244.db2.gz SXCVDMSERZUSPM-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC001257452308 807163403 /nfs/dbraw/zinc/16/34/03/807163403.db2.gz QEJCTRHDAXHZDG-HNNXBMFYSA-N 1 3 260.425 3.416 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001257452308 807163407 /nfs/dbraw/zinc/16/34/07/807163407.db2.gz QEJCTRHDAXHZDG-HNNXBMFYSA-N 1 3 260.425 3.416 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(CC(C)C)CC2)s1 ZINC001258002647 807262967 /nfs/dbraw/zinc/26/29/67/807262967.db2.gz WSIICPLCZMCVCT-UHFFFAOYSA-N 1 3 280.481 3.309 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001258011042 807264854 /nfs/dbraw/zinc/26/48/54/807264854.db2.gz HMSOBYHPRVQLBV-AWEZNQCLSA-N 1 3 292.389 3.176 20 0 CGADHO CC(C)CN1CCC([N@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001258011042 807264857 /nfs/dbraw/zinc/26/48/57/807264857.db2.gz HMSOBYHPRVQLBV-AWEZNQCLSA-N 1 3 292.389 3.176 20 0 CGADHO C1=CC[C@H](CN2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167924657 807274950 /nfs/dbraw/zinc/27/49/50/807274950.db2.gz SLDOQVACVJXXNS-CUSZFKRNSA-N 1 3 274.452 3.195 20 0 CGADHO F[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167982869 807290682 /nfs/dbraw/zinc/29/06/82/807290682.db2.gz CYELMWPAEYEMMK-PMRDEQMMSA-N 1 3 280.431 3.216 20 0 CGADHO F[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167982869 807290689 /nfs/dbraw/zinc/29/06/89/807290689.db2.gz CYELMWPAEYEMMK-PMRDEQMMSA-N 1 3 280.431 3.216 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001168091920 807309081 /nfs/dbraw/zinc/30/90/81/807309081.db2.gz CPIPIRBZERXSHI-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCN(c3ccncc3)CC2)C[C@@H](C)C1 ZINC001258162149 807330669 /nfs/dbraw/zinc/33/06/69/807330669.db2.gz HYVWOUXGPNQJOD-QLPKVWCKSA-N 1 3 273.424 3.028 20 0 CGADHO CSCC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258205358 807362176 /nfs/dbraw/zinc/36/21/76/807362176.db2.gz HWIPHQVWTBOCLY-GFCCVEGCSA-N 1 3 272.502 3.369 20 0 CGADHO CN(Cc1cnc(Cl)s1)C1CCC([NH+](C)C)CC1 ZINC001168315336 807381282 /nfs/dbraw/zinc/38/12/82/807381282.db2.gz USYCERCYIDHDOZ-UHFFFAOYSA-N 1 3 287.860 3.101 20 0 CGADHO Cc1cncc([C@@H]([NH2+]C2CCN(CC3CC3)CC2)C2CC2)c1 ZINC001168372482 807396263 /nfs/dbraw/zinc/39/62/63/807396263.db2.gz YPESSKHMKROHAK-IBGZPJMESA-N 1 3 299.462 3.305 20 0 CGADHO CCN(Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168370958 807396328 /nfs/dbraw/zinc/39/63/28/807396328.db2.gz JDCKIVHGGODEQM-UHFFFAOYSA-N 1 3 272.436 3.383 20 0 CGADHO Cc1ccc2c(c1)C[N@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168371783 807398117 /nfs/dbraw/zinc/39/81/17/807398117.db2.gz IOLBSMNXBFFFQL-UHFFFAOYSA-N 1 3 284.447 3.228 20 0 CGADHO Cc1ccc2c(c1)C[N@@H+](C1CCN(CC3CC3)CC1)CC2 ZINC001168371783 807398127 /nfs/dbraw/zinc/39/81/27/807398127.db2.gz IOLBSMNXBFFFQL-UHFFFAOYSA-N 1 3 284.447 3.228 20 0 CGADHO CCC[NH+]1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001258764923 807601253 /nfs/dbraw/zinc/60/12/53/807601253.db2.gz YIDBVNTXNDALAI-UHFFFAOYSA-N 1 3 298.434 3.056 20 0 CGADHO CCC[NH+]1CCC(N2CCC(c3cccnc3)CC2)CC1 ZINC001258776053 807605929 /nfs/dbraw/zinc/60/59/29/807605929.db2.gz QZWWZGAEOJSIOJ-UHFFFAOYSA-N 1 3 287.451 3.135 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261492822 807751345 /nfs/dbraw/zinc/75/13/45/807751345.db2.gz VQXWJVVDEHGSIZ-CYBMUJFWSA-N 1 3 294.389 3.491 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC001261566364 807757981 /nfs/dbraw/zinc/75/79/81/807757981.db2.gz CFTPFODHTFJJLI-CABCVRRESA-N 1 3 288.439 3.194 20 0 CGADHO Cn1cncc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170331472 807826099 /nfs/dbraw/zinc/82/60/99/807826099.db2.gz UTCINPAXIGZQCY-OSYLJGHBSA-N 1 3 296.418 3.028 20 0 CGADHO Cn1cncc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170331472 807826108 /nfs/dbraw/zinc/82/61/08/807826108.db2.gz UTCINPAXIGZQCY-OSYLJGHBSA-N 1 3 296.418 3.028 20 0 CGADHO Cc1ccc(-c2ccccc2)cc1N[C@@H](N)CCC[NH3+] ZINC001170903808 807929909 /nfs/dbraw/zinc/92/99/09/807929909.db2.gz LJUYGIKGPCGGCV-QGZVFWFLSA-N 1 3 269.392 3.098 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171014715 807960298 /nfs/dbraw/zinc/96/02/98/807960298.db2.gz VCYGDZLBZAPHPS-CQSZACIVSA-N 1 3 280.843 3.257 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171014715 807960301 /nfs/dbraw/zinc/96/03/01/807960301.db2.gz VCYGDZLBZAPHPS-CQSZACIVSA-N 1 3 280.843 3.257 20 0 CGADHO CCC[N@H+](CCCN)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171097936 807983157 /nfs/dbraw/zinc/98/31/57/807983157.db2.gz ZIGYIWXBGOELOE-INIZCTEOSA-N 1 3 280.843 3.258 20 0 CGADHO CCC[N@@H+](CCCN)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171097936 807983161 /nfs/dbraw/zinc/98/31/61/807983161.db2.gz ZIGYIWXBGOELOE-INIZCTEOSA-N 1 3 280.843 3.258 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171395199 808043950 /nfs/dbraw/zinc/04/39/50/808043950.db2.gz YNJSGNDJQBJBKM-HNNXBMFYSA-N 1 3 278.415 3.005 20 0 CGADHO CN1C(C)(C)CC([NH+]2CCC(C)(F)CC2)CC1(C)C ZINC001171632207 808108968 /nfs/dbraw/zinc/10/89/68/808108968.db2.gz WWADRCKTEWHLPB-UHFFFAOYSA-N 1 3 270.436 3.462 20 0 CGADHO Cc1ccc(F)cc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102626 808174137 /nfs/dbraw/zinc/17/41/37/808174137.db2.gz NQVXCCKQOMXUJC-BJWYYQGGSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(F)cc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102626 808174138 /nfs/dbraw/zinc/17/41/38/808174138.db2.gz NQVXCCKQOMXUJC-BJWYYQGGSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172102626 808174141 /nfs/dbraw/zinc/17/41/41/808174141.db2.gz NQVXCCKQOMXUJC-BJWYYQGGSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ncccc1[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108501 808176144 /nfs/dbraw/zinc/17/61/44/808176144.db2.gz AQCZHYGAJPYFOF-ZMMAXQRCSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1ncccc1[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108501 808176146 /nfs/dbraw/zinc/17/61/46/808176146.db2.gz AQCZHYGAJPYFOF-ZMMAXQRCSA-N 1 3 299.462 3.446 20 0 CGADHO CC(C)[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107195 808176951 /nfs/dbraw/zinc/17/69/51/808176951.db2.gz UNQZLSOLYDWLNU-MHORFTMASA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107195 808176952 /nfs/dbraw/zinc/17/69/52/808176952.db2.gz UNQZLSOLYDWLNU-MHORFTMASA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172109392 808177918 /nfs/dbraw/zinc/17/79/18/808177918.db2.gz CYUYVZCSSJQMJB-ZJPYXAASSA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172109392 808177920 /nfs/dbraw/zinc/17/79/20/808177920.db2.gz CYUYVZCSSJQMJB-ZJPYXAASSA-N 1 3 287.451 3.384 20 0 CGADHO Cn1ccc2ccc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc21 ZINC001172110092 808178195 /nfs/dbraw/zinc/17/81/95/808178195.db2.gz JZMKDZFJQKBTMG-NNZMDNLPSA-N 1 3 297.446 3.283 20 0 CGADHO Cn1ccc2ccc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc21 ZINC001172110092 808178199 /nfs/dbraw/zinc/17/81/99/808178199.db2.gz JZMKDZFJQKBTMG-NNZMDNLPSA-N 1 3 297.446 3.283 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3ccncc31)C2 ZINC001172109274 808178638 /nfs/dbraw/zinc/17/86/38/808178638.db2.gz JKURRMYYWAOVDF-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3ccncc31)C2 ZINC001172109274 808178640 /nfs/dbraw/zinc/17/86/40/808178640.db2.gz JKURRMYYWAOVDF-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CSc3ccccc3C2)C1 ZINC001172205384 808199483 /nfs/dbraw/zinc/19/94/83/808199483.db2.gz VUDZNAKLPXHQQN-HRCADAONSA-N 1 3 290.476 3.166 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172205384 808199485 /nfs/dbraw/zinc/19/94/85/808199485.db2.gz VUDZNAKLPXHQQN-HRCADAONSA-N 1 3 290.476 3.166 20 0 CGADHO CC[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172402706 808291535 /nfs/dbraw/zinc/29/15/35/808291535.db2.gz WEQDEFVIBLCINV-BRWVUGGUSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[N@H+](CCCN)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546087 808375183 /nfs/dbraw/zinc/37/51/83/808375183.db2.gz JPHCMQCGZWKHRA-SJORKVTESA-N 1 3 260.425 3.384 20 0 CGADHO CCC[N@@H+](CCCN)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546087 808375191 /nfs/dbraw/zinc/37/51/91/808375191.db2.gz JPHCMQCGZWKHRA-SJORKVTESA-N 1 3 260.425 3.384 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)NC1CC([NH3+])C1 ZINC001172578721 808397151 /nfs/dbraw/zinc/39/71/51/808397151.db2.gz RBODTEJAVJIQMA-MFAVDMRSSA-N 1 3 288.769 3.019 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C1CC(N)C1 ZINC001172578721 808397160 /nfs/dbraw/zinc/39/71/60/808397160.db2.gz RBODTEJAVJIQMA-MFAVDMRSSA-N 1 3 288.769 3.019 20 0 CGADHO CCc1ccc(C[C@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001173248204 808555071 /nfs/dbraw/zinc/55/50/71/808555071.db2.gz SKOFICMEUCZYJW-INIZCTEOSA-N 1 3 286.463 3.208 20 0 CGADHO CCSC[C@@H](C)N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001173294122 808594097 /nfs/dbraw/zinc/59/40/97/808594097.db2.gz CLZXXAJJCKYAQB-HUUCEWRRSA-N 1 3 280.481 3.225 20 0 CGADHO CCSC[C@H](C)N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001173294116 808594122 /nfs/dbraw/zinc/59/41/22/808594122.db2.gz CLZXXAJJCKYAQB-GJZGRUSLSA-N 1 3 280.481 3.225 20 0 CGADHO CCSC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001173299434 808599650 /nfs/dbraw/zinc/59/96/50/808599650.db2.gz RBHANTWRXZIMJI-CYBMUJFWSA-N 1 3 270.486 3.125 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(C)cc3C)(C1)CCC2 ZINC001275283738 808925626 /nfs/dbraw/zinc/92/56/26/808925626.db2.gz VRYQCKRLQDQMLX-ZWKOTPCHSA-N 1 3 272.436 3.458 20 0 CGADHO COc1ccsc1CN1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275451120 808937703 /nfs/dbraw/zinc/93/77/03/808937703.db2.gz JXUKXDWGONSHCX-UHFFFAOYSA-N 1 3 294.464 3.065 20 0 CGADHO COc1ccsc1CN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275451120 808937709 /nfs/dbraw/zinc/93/77/09/808937709.db2.gz JXUKXDWGONSHCX-UHFFFAOYSA-N 1 3 294.464 3.065 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCCN(Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867196 808972469 /nfs/dbraw/zinc/97/24/69/808972469.db2.gz YBRLBBIOFHADHK-LJQANCHMSA-N 1 3 297.446 3.476 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCCN(Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867196 808972471 /nfs/dbraw/zinc/97/24/71/808972471.db2.gz YBRLBBIOFHADHK-LJQANCHMSA-N 1 3 297.446 3.476 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4ncccc4c3)(C1)CCC2 ZINC001276401967 809006574 /nfs/dbraw/zinc/00/65/74/809006574.db2.gz QDBPAVUUWJJVII-RBUKOAKNSA-N 1 3 295.430 3.389 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCc1ccc(Cl)cc1 ZINC001276747329 809027091 /nfs/dbraw/zinc/02/70/91/809027091.db2.gz ZMPGBJOJRFBPPA-ALOPSCKCSA-N 1 3 292.854 3.487 20 0 CGADHO Cc1ncc(Nc2ccc(C[NH+]3CCCCC3)cc2)n1C ZINC001175362199 809379388 /nfs/dbraw/zinc/37/93/88/809379388.db2.gz HJAWAZFBODIAIB-UHFFFAOYSA-N 1 3 284.407 3.458 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001179816053 809948534 /nfs/dbraw/zinc/94/85/34/809948534.db2.gz KLPIROYSEBBIHM-KBRIMQKVSA-N 1 3 292.854 3.387 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001184387447 810196893 /nfs/dbraw/zinc/19/68/93/810196893.db2.gz JYRCHDUUWBTYIH-ZJIFWQFVSA-N 1 3 252.446 3.131 20 0 CGADHO COc1ccc2c(c1)nccc2Nc1c(C)ncn1C ZINC001203524909 812385802 /nfs/dbraw/zinc/38/58/02/812385802.db2.gz HEYOZWXQWWDFSP-UHFFFAOYSA-N 1 3 268.320 3.029 20 0 CGADHO COc1ccc2c(c1)nccc2Nc1c(C)[nH+]cn1C ZINC001203524909 812385813 /nfs/dbraw/zinc/38/58/13/812385813.db2.gz HEYOZWXQWWDFSP-UHFFFAOYSA-N 1 3 268.320 3.029 20 0 CGADHO COc1ccc2c(Nc3c(C)ncn3C)cc[nH+]c2c1 ZINC001203524909 812385821 /nfs/dbraw/zinc/38/58/21/812385821.db2.gz HEYOZWXQWWDFSP-UHFFFAOYSA-N 1 3 268.320 3.029 20 0 CGADHO C[C@@H](C[N@@H+]1C[C@H](C)[C@H](CN)C1)c1cccc2ccccc21 ZINC001205131156 812880884 /nfs/dbraw/zinc/88/08/84/812880884.db2.gz RISLUUNSNKLCLZ-YQQAZPJKSA-N 1 3 282.431 3.470 20 0 CGADHO C[C@@H](C[N@H+]1C[C@H](C)[C@H](CN)C1)c1cccc2ccccc21 ZINC001205131156 812880892 /nfs/dbraw/zinc/88/08/92/812880892.db2.gz RISLUUNSNKLCLZ-YQQAZPJKSA-N 1 3 282.431 3.470 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296835 812937843 /nfs/dbraw/zinc/93/78/43/812937843.db2.gz UPCYYJUODQALRN-DYWXZXKOSA-N 1 3 292.854 3.360 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296835 812937848 /nfs/dbraw/zinc/93/78/48/812937848.db2.gz UPCYYJUODQALRN-DYWXZXKOSA-N 1 3 292.854 3.360 20 0 CGADHO C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1nccs1 ZINC001205300702 812940443 /nfs/dbraw/zinc/94/04/43/812940443.db2.gz ZXENUACPBUBYKX-LBPRGKRZSA-N 1 3 281.469 3.099 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1nccs1 ZINC001205300702 812940449 /nfs/dbraw/zinc/94/04/49/812940449.db2.gz ZXENUACPBUBYKX-LBPRGKRZSA-N 1 3 281.469 3.099 20 0 CGADHO C[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1nccs1 ZINC001205300700 812940616 /nfs/dbraw/zinc/94/06/16/812940616.db2.gz ZXENUACPBUBYKX-GFCCVEGCSA-N 1 3 281.469 3.099 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1nccs1 ZINC001205300700 812940618 /nfs/dbraw/zinc/94/06/18/812940618.db2.gz ZXENUACPBUBYKX-GFCCVEGCSA-N 1 3 281.469 3.099 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2)C[C@H]1C[NH3+] ZINC001205303269 812940832 /nfs/dbraw/zinc/94/08/32/812940832.db2.gz BTUNNJLUWKXUNJ-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC001205304350 812942230 /nfs/dbraw/zinc/94/22/30/812942230.db2.gz OATJGLOZCNYJEY-QAPCUYQASA-N 1 3 295.430 3.165 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318318 812951344 /nfs/dbraw/zinc/95/13/44/812951344.db2.gz UCRPQKZHMSQGPV-RDJZCZTQSA-N 1 3 290.451 3.199 20 0 CGADHO C[C@@H]1CCN(Cc2cccc3c(F)cccc23)C[C@@H]1C[NH3+] ZINC001205319092 812952765 /nfs/dbraw/zinc/95/27/65/812952765.db2.gz YRFHOWIGBGEIOT-HIFRSBDPSA-N 1 3 286.394 3.396 20 0 CGADHO C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829965 813099850 /nfs/dbraw/zinc/09/98/50/813099850.db2.gz QDTXNFPZYLFIFA-FZMZJTMJSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829965 813099858 /nfs/dbraw/zinc/09/98/58/813099858.db2.gz QDTXNFPZYLFIFA-FZMZJTMJSA-N 1 3 268.351 3.183 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C)[C@@H](N)C2)c(C)c1C ZINC001205880323 813117897 /nfs/dbraw/zinc/11/78/97/813117897.db2.gz CRSRWADXSSEZEB-ZMZPIMSZSA-N 1 3 274.452 3.398 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](N)C2)c(C)c1C ZINC001205880323 813117900 /nfs/dbraw/zinc/11/79/00/813117900.db2.gz CRSRWADXSSEZEB-ZMZPIMSZSA-N 1 3 274.452 3.398 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cc(O)cc2ccccc21 ZINC001205913507 813129532 /nfs/dbraw/zinc/12/95/32/813129532.db2.gz IWXLSZCXHABANW-DZGCQCFKSA-N 1 3 284.403 3.105 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205916144 813133203 /nfs/dbraw/zinc/13/32/03/813133203.db2.gz SAGYNLYWYUYIKX-QAPCUYQASA-N 1 3 274.452 3.444 20 0 CGADHO Cc1ccc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1F ZINC001205991304 813153615 /nfs/dbraw/zinc/15/36/15/813153615.db2.gz ABVRSJRDKCJNBW-QWHCGFSZSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1CN(Cc2cc(F)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001205995766 813157405 /nfs/dbraw/zinc/15/74/05/813157405.db2.gz QAZLQLWHOZSKMD-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1cc(F)c(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206023167 813169272 /nfs/dbraw/zinc/16/92/72/813169272.db2.gz DKVPIIXMZMUYHG-CHWSQXEVSA-N 1 3 282.378 3.080 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@@H]1F ZINC001206167323 813222481 /nfs/dbraw/zinc/22/24/81/813222481.db2.gz YHBVHANFCSCFOX-QWHCGFSZSA-N 1 3 295.789 3.083 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@@H]1F ZINC001206167323 813222485 /nfs/dbraw/zinc/22/24/85/813222485.db2.gz YHBVHANFCSCFOX-QWHCGFSZSA-N 1 3 295.789 3.083 20 0 CGADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173528 813225747 /nfs/dbraw/zinc/22/57/47/813225747.db2.gz HVDLGRGSUMIYJT-SJORKVTESA-N 1 3 299.393 3.010 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173528 813225752 /nfs/dbraw/zinc/22/57/52/813225752.db2.gz HVDLGRGSUMIYJT-SJORKVTESA-N 1 3 299.393 3.010 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2ccccc2-c2ccncc2)CC[C@H]1F ZINC001206198617 813236166 /nfs/dbraw/zinc/23/61/66/813236166.db2.gz MZNTYRKEGATVJX-QZTJIDSGSA-N 1 3 299.393 3.010 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cccc(Cl)c2F)CC1 ZINC001206304492 813281076 /nfs/dbraw/zinc/28/10/76/813281076.db2.gz LKQRBFVFEKTBIM-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO CCCOc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206540142 813342944 /nfs/dbraw/zinc/34/29/44/813342944.db2.gz ANZWHIXLEBKDPV-GOSISDBHSA-N 1 3 290.451 3.426 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2c[nH]c3cc(F)ccc23)C1 ZINC001206547164 813346145 /nfs/dbraw/zinc/34/61/45/813346145.db2.gz CHMZTOIBZLSOGV-QGZVFWFLSA-N 1 3 289.398 3.258 20 0 CGADHO Cc1cc(CN2CCCC[C@](C)(C[NH3+])C2)cs1 ZINC001206580075 813362110 /nfs/dbraw/zinc/36/21/10/813362110.db2.gz BYKLWCUTEOEREO-CQSZACIVSA-N 1 3 252.427 3.007 20 0 CGADHO CCC[NH+]1C[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2C1 ZINC001207350085 813546225 /nfs/dbraw/zinc/54/62/25/813546225.db2.gz ZHUQCSPYYAOZKG-HUUCEWRRSA-N 1 3 286.410 3.086 20 0 CGADHO CC1(C[N@@H+]2CCCC[C@H]2CCN2CCCC2)CCOCC1 ZINC001207968823 813681948 /nfs/dbraw/zinc/68/19/48/813681948.db2.gz QDHMEVQATWFJKT-KRWDZBQOSA-N 1 3 294.483 3.144 20 0 CGADHO CC1(C[N@H+]2CCCC[C@H]2CCN2CCCC2)CCOCC1 ZINC001207968823 813681952 /nfs/dbraw/zinc/68/19/52/813681952.db2.gz QDHMEVQATWFJKT-KRWDZBQOSA-N 1 3 294.483 3.144 20 0 CGADHO C(CC1CCCC1)CN1CCC([NH+]2CCC2)CC1 ZINC001208093526 813690921 /nfs/dbraw/zinc/69/09/21/813690921.db2.gz VQEOFUWPPFJJRD-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC/C=C\CCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001208136981 813702544 /nfs/dbraw/zinc/70/25/44/813702544.db2.gz DFOMLARQOAOIRF-HNXFAEETSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001208136981 813702548 /nfs/dbraw/zinc/70/25/48/813702548.db2.gz DFOMLARQOAOIRF-HNXFAEETSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001208136981 813702551 /nfs/dbraw/zinc/70/25/51/813702551.db2.gz DFOMLARQOAOIRF-HNXFAEETSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001208136981 813702553 /nfs/dbraw/zinc/70/25/53/813702553.db2.gz DFOMLARQOAOIRF-HNXFAEETSA-N 1 3 250.430 3.006 20 0 CGADHO CS[C@@H](C)CC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001208152465 813710381 /nfs/dbraw/zinc/71/03/81/813710381.db2.gz HLSJSQHTDIPOIZ-JYJNAYRXSA-N 1 3 284.513 3.467 20 0 CGADHO CS[C@@H](C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001208152465 813710383 /nfs/dbraw/zinc/71/03/83/813710383.db2.gz HLSJSQHTDIPOIZ-JYJNAYRXSA-N 1 3 284.513 3.467 20 0 CGADHO CN(CCC[NH+](C)C)CCC(C)(C)c1ccccc1 ZINC001208662335 813783864 /nfs/dbraw/zinc/78/38/64/813783864.db2.gz BYMBSSLNPCJPSG-UHFFFAOYSA-N 1 3 262.441 3.238 20 0 CGADHO CN(C)CCC[N@H+](C)CCc1c(Cl)cccc1Cl ZINC001209105291 813934434 /nfs/dbraw/zinc/93/44/34/813934434.db2.gz NVZHCAQVWJVRGE-UHFFFAOYSA-N 1 3 289.250 3.419 20 0 CGADHO CN(C)CCC[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC001209105291 813934439 /nfs/dbraw/zinc/93/44/39/813934439.db2.gz NVZHCAQVWJVRGE-UHFFFAOYSA-N 1 3 289.250 3.419 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209409038 814016102 /nfs/dbraw/zinc/01/61/02/814016102.db2.gz OLHAUMSPVUWYGF-JKSUJKDBSA-N 1 3 282.472 3.140 20 0 CGADHO COC(C)(C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209409038 814016108 /nfs/dbraw/zinc/01/61/08/814016108.db2.gz OLHAUMSPVUWYGF-JKSUJKDBSA-N 1 3 282.472 3.140 20 0 CGADHO CC[NH+](CC)Cc1ccc(Nc2ccncc2C)cc1 ZINC001209821432 814153895 /nfs/dbraw/zinc/15/38/95/814153895.db2.gz NCTCYENOTFMEKJ-UHFFFAOYSA-N 1 3 269.392 3.397 20 0 CGADHO C[NH2+]Cc1cccc(Nc2ccc3c(c2)CN(C)CC3)c1F ZINC001216226981 815745297 /nfs/dbraw/zinc/74/52/97/815745297.db2.gz KADXSPOIYMGGRO-UHFFFAOYSA-N 1 3 299.393 3.277 20 0 CGADHO CC(C)P(CCNC(=O)c1cccc(C[NH3+])c1)C(C)C ZINC001221256986 816308197 /nfs/dbraw/zinc/30/81/97/816308197.db2.gz UCZTYHPNCQHLNV-UHFFFAOYSA-N 1 3 294.379 3.174 20 0 CGADHO Clc1cccc(CCN2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222307761 816403416 /nfs/dbraw/zinc/40/34/16/816403416.db2.gz BFIHJMLLNLHJHI-KRWDZBQOSA-N 1 3 292.854 3.491 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615407 816479704 /nfs/dbraw/zinc/47/97/04/816479704.db2.gz PRJLICKWVUYLIA-OWCLPIDISA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615407 816479710 /nfs/dbraw/zinc/47/97/10/816479710.db2.gz PRJLICKWVUYLIA-OWCLPIDISA-N 1 3 250.430 3.053 20 0 CGADHO c1c2cnccc2[nH]c1C[N@@H+]1CCC2(CCCC2)C1 ZINC001232013502 818232480 /nfs/dbraw/zinc/23/24/80/818232480.db2.gz APVORINAYRZNOJ-UHFFFAOYSA-N 1 3 255.365 3.329 20 0 CGADHO c1c2cnccc2[nH]c1C[N@H+]1CCC2(CCCC2)C1 ZINC001232013502 818232485 /nfs/dbraw/zinc/23/24/85/818232485.db2.gz APVORINAYRZNOJ-UHFFFAOYSA-N 1 3 255.365 3.329 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc3c[nH]ccc-3n2)C[C@H]1C ZINC001232010771 818233834 /nfs/dbraw/zinc/23/38/34/818233834.db2.gz AAPNSZHVIYHOGU-QWHCGFSZSA-N 1 3 257.381 3.431 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc3c[nH]ccc-3n2)C[C@H]1C ZINC001232010771 818233836 /nfs/dbraw/zinc/23/38/36/818233836.db2.gz AAPNSZHVIYHOGU-QWHCGFSZSA-N 1 3 257.381 3.431 20 0 CGADHO C[N@H+](CCc1ccccc1)Cc1cc2cnccc2[nH]1 ZINC001232012169 818233843 /nfs/dbraw/zinc/23/38/43/818233843.db2.gz UPNOUORNAGAXIO-UHFFFAOYSA-N 1 3 265.360 3.237 20 0 CGADHO C[N@@H+](CCc1ccccc1)Cc1cc2cnccc2[nH]1 ZINC001232012169 818233846 /nfs/dbraw/zinc/23/38/46/818233846.db2.gz UPNOUORNAGAXIO-UHFFFAOYSA-N 1 3 265.360 3.237 20 0 CGADHO CCCC[N@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232144916 818263225 /nfs/dbraw/zinc/26/32/25/818263225.db2.gz MZFWKSCEJXEDLG-UHFFFAOYSA-N 1 3 252.377 3.119 20 0 CGADHO CCCC[N@@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232144916 818263232 /nfs/dbraw/zinc/26/32/32/818263232.db2.gz MZFWKSCEJXEDLG-UHFFFAOYSA-N 1 3 252.377 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC001232145587 818264404 /nfs/dbraw/zinc/26/44/04/818264404.db2.gz VPSXKEQIVUWUDM-HOTGVXAUSA-N 1 3 276.399 3.119 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232145925 818264579 /nfs/dbraw/zinc/26/45/79/818264579.db2.gz FJJQKPMPLLTLSP-ZIAGYGMSSA-N 1 3 278.415 3.365 20 0 CGADHO Cc1cc(C)c(CN2CCC3(CC2)CC[NH+](C)CC3)cn1 ZINC001233010746 818500182 /nfs/dbraw/zinc/50/01/82/818500182.db2.gz AEPDCYLVCBVPMF-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO C(CC1CCCCC1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994935 818973298 /nfs/dbraw/zinc/97/32/98/818973298.db2.gz UOFFAYACFSQUKH-KRWDZBQOSA-N 1 3 264.457 3.422 20 0 CGADHO C[C@H](CN1CCC2(C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235024516 818981282 /nfs/dbraw/zinc/98/12/82/818981282.db2.gz NFLFRTVECRGSCT-OAHLLOKOSA-N 1 3 280.415 3.239 20 0 CGADHO Fc1cccc(CCCN2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042558 818988066 /nfs/dbraw/zinc/98/80/66/818988066.db2.gz XPUZQSDXAMFPOG-SFHVURJKSA-N 1 3 290.426 3.366 20 0 CGADHO Cn1ccc2cc(CN3CCC[C@]4(CCC[NH2+]4)CC3)ccc21 ZINC001235046195 818990334 /nfs/dbraw/zinc/99/03/34/818990334.db2.gz NSGNGVYBQYRSHW-LJQANCHMSA-N 1 3 297.446 3.286 20 0 CGADHO CC(C)(C)c1cccc(CN2CC3(C2)CC[NH2+]CC3)c1 ZINC001235088214 818998004 /nfs/dbraw/zinc/99/80/04/818998004.db2.gz DRYVAXBZFQOZLC-UHFFFAOYSA-N 1 3 272.436 3.170 20 0 CGADHO Cc1ccc(Cl)c(CN2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235093093 818999726 /nfs/dbraw/zinc/99/97/26/818999726.db2.gz OPEPPPUSCOXIAO-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO Cn1ccc2c1cccc2C[N@@H+]1CCCCC12CCNCC2 ZINC001235189253 819030401 /nfs/dbraw/zinc/03/04/01/819030401.db2.gz FKDYACZJIJJDPK-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO Cn1ccc2c1cccc2C[N@H+]1CCCCC12CCNCC2 ZINC001235189253 819030404 /nfs/dbraw/zinc/03/04/04/819030404.db2.gz FKDYACZJIJJDPK-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO c1ncc(C2CC2)cc1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235238607 819044788 /nfs/dbraw/zinc/04/47/88/819044788.db2.gz QNRUQEOJKYIVIY-IBGZPJMESA-N 1 3 299.462 3.313 20 0 CGADHO CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001235283440 819061171 /nfs/dbraw/zinc/06/11/71/819061171.db2.gz OLUIYJKCVDHIDJ-FJIDUMEYSA-N 1 3 274.452 3.348 20 0 CGADHO CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001235283440 819061179 /nfs/dbraw/zinc/06/11/79/819061179.db2.gz OLUIYJKCVDHIDJ-FJIDUMEYSA-N 1 3 274.452 3.348 20 0 CGADHO Cc1ccc(CN2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1Cl ZINC001235339964 819071800 /nfs/dbraw/zinc/07/18/00/819071800.db2.gz GGMSPOZMIJPSAG-NSHDSACASA-N 1 3 299.245 3.343 20 0 CGADHO CCc1cc(CN2CCC(C3C[NH2+]C3)CC2)ccc1Cl ZINC001235340964 819072077 /nfs/dbraw/zinc/07/20/77/819072077.db2.gz WITKXVIXTLUPAE-UHFFFAOYSA-N 1 3 292.854 3.334 20 0 CGADHO C[C@H]1CCCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001235661916 819131669 /nfs/dbraw/zinc/13/16/69/819131669.db2.gz RBBHXHUKQSMNQW-LBPRGKRZSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@H]1CCCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001235661916 819131671 /nfs/dbraw/zinc/13/16/71/819131671.db2.gz RBBHXHUKQSMNQW-LBPRGKRZSA-N 1 3 264.438 3.158 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCCC2(CNC2)C1 ZINC001235711140 819146594 /nfs/dbraw/zinc/14/65/94/819146594.db2.gz KKQUBOIJTKZXRR-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCCC2(CNC2)C1 ZINC001235711140 819146600 /nfs/dbraw/zinc/14/66/00/819146600.db2.gz KKQUBOIJTKZXRR-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@H](C)CN1CCCC2(C[NH2+]C2)C1 ZINC001235711140 819146607 /nfs/dbraw/zinc/14/66/07/819146607.db2.gz KKQUBOIJTKZXRR-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO Cc1ccc2ccccc2c1CN1CCC(C)([NH3+])CC1 ZINC001235748363 819160221 /nfs/dbraw/zinc/16/02/21/819160221.db2.gz KZOKXBMMGPWDEI-UHFFFAOYSA-N 1 3 268.404 3.461 20 0 CGADHO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001235819221 819174372 /nfs/dbraw/zinc/17/43/72/819174372.db2.gz CAIYPASMWLEELM-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001235819221 819174374 /nfs/dbraw/zinc/17/43/74/819174374.db2.gz CAIYPASMWLEELM-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO [NH3+]CCCCCCN1CCc2cc(Cl)ccc2C1 ZINC001235940778 819234828 /nfs/dbraw/zinc/23/48/28/819234828.db2.gz ZKKZEASJRHEPNO-UHFFFAOYSA-N 1 3 266.816 3.217 20 0 CGADHO c1ccc([C@H]2CCN2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235950064 819239565 /nfs/dbraw/zinc/23/95/65/819239565.db2.gz ZLDJGLSLFLZTMS-LJQANCHMSA-N 1 3 278.399 3.279 20 0 CGADHO c1ccc([C@@H]2CCN2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235950056 819239603 /nfs/dbraw/zinc/23/96/03/819239603.db2.gz ZIHNLISZMHUFTF-IBGZPJMESA-N 1 3 278.399 3.279 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981846 819258568 /nfs/dbraw/zinc/25/85/68/819258568.db2.gz XSMKKVFZDCDQNB-ZMSDIMECSA-N 1 3 282.472 3.031 20 0 CGADHO CC1(C)CN(Cc2cccc(C[NH3+])c2)Cc2ccccc21 ZINC001236085224 819307195 /nfs/dbraw/zinc/30/71/95/819307195.db2.gz LGEVMSACMABLJP-UHFFFAOYSA-N 1 3 280.415 3.439 20 0 CGADHO CCC[N@H+](Cc1ccc2ccn(C)c2c1)C1CCNCC1 ZINC001236182602 819359244 /nfs/dbraw/zinc/35/92/44/819359244.db2.gz RZTNGBJZPJRNCP-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO CCC[N@@H+](Cc1ccc2ccn(C)c2c1)C1CCNCC1 ZINC001236182602 819359247 /nfs/dbraw/zinc/35/92/47/819359247.db2.gz RZTNGBJZPJRNCP-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO CCCN(Cc1ccc2ccn(C)c2c1)C1CC[NH2+]CC1 ZINC001236182602 819359255 /nfs/dbraw/zinc/35/92/55/819359255.db2.gz RZTNGBJZPJRNCP-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO CCC[N@H+](Cc1ccc(OCC)cc1C)C1CCNCC1 ZINC001236183144 819360076 /nfs/dbraw/zinc/36/00/76/819360076.db2.gz VIVJGWSAOFNQRQ-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CCC[N@@H+](Cc1ccc(OCC)cc1C)C1CCNCC1 ZINC001236183144 819360084 /nfs/dbraw/zinc/36/00/84/819360084.db2.gz VIVJGWSAOFNQRQ-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CCCN(Cc1ccc(OCC)cc1C)C1CC[NH2+]CC1 ZINC001236183144 819360090 /nfs/dbraw/zinc/36/00/90/819360090.db2.gz VIVJGWSAOFNQRQ-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO C[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@@H]1N ZINC001236214596 819375777 /nfs/dbraw/zinc/37/57/77/819375777.db2.gz GKUVAYQVGORPIK-LSDHHAIUSA-N 1 3 276.355 3.274 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@@H]1N ZINC001236214596 819375783 /nfs/dbraw/zinc/37/57/83/819375783.db2.gz GKUVAYQVGORPIK-LSDHHAIUSA-N 1 3 276.355 3.274 20 0 CGADHO C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1N ZINC001236216392 819380786 /nfs/dbraw/zinc/38/07/86/819380786.db2.gz KAXBGBSOUBHBBE-DLBZAZTESA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1N ZINC001236216392 819380792 /nfs/dbraw/zinc/38/07/92/819380792.db2.gz KAXBGBSOUBHBBE-DLBZAZTESA-N 1 3 258.409 3.266 20 0 CGADHO CN(Cc1cccc2c1CCCC2)C1(C)CC[NH2+]CC1 ZINC001236226643 819391579 /nfs/dbraw/zinc/39/15/79/819391579.db2.gz QNXNMDMUJXPLGL-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO C[N@H+](Cc1cccc2c1CCCC2)C1(C)CCNCC1 ZINC001236226643 819391585 /nfs/dbraw/zinc/39/15/85/819391585.db2.gz QNXNMDMUJXPLGL-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO C[N@@H+](Cc1cccc2c1CCCC2)C1(C)CCNCC1 ZINC001236226643 819391586 /nfs/dbraw/zinc/39/15/86/819391586.db2.gz QNXNMDMUJXPLGL-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CCCCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236286544 819414411 /nfs/dbraw/zinc/41/44/11/819414411.db2.gz MCOZDUJHFGRLHL-UHFFFAOYSA-N 1 3 260.425 3.431 20 0 CGADHO CCCCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236286544 819414414 /nfs/dbraw/zinc/41/44/14/819414414.db2.gz MCOZDUJHFGRLHL-UHFFFAOYSA-N 1 3 260.425 3.431 20 0 CGADHO CCCCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286544 819414419 /nfs/dbraw/zinc/41/44/19/819414419.db2.gz MCOZDUJHFGRLHL-UHFFFAOYSA-N 1 3 260.425 3.431 20 0 CGADHO CCOCC[N@H+](C[C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001236460227 819486223 /nfs/dbraw/zinc/48/62/23/819486223.db2.gz OKJYIIVGCAXOLR-KRWDZBQOSA-N 1 3 296.499 3.459 20 0 CGADHO CCOCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001236460227 819486227 /nfs/dbraw/zinc/48/62/27/819486227.db2.gz OKJYIIVGCAXOLR-KRWDZBQOSA-N 1 3 296.499 3.459 20 0 CGADHO Cn1ccc2c1cccc2CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236597763 819549043 /nfs/dbraw/zinc/54/90/43/819549043.db2.gz DYNNAQYYWQAGPV-HNNXBMFYSA-N 1 3 297.446 3.142 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)c4ccccc34)C[C@H]12 ZINC001236819844 819605858 /nfs/dbraw/zinc/60/58/58/819605858.db2.gz OLHWCTUEQIDSRR-RPVQJOFSSA-N 1 3 284.378 3.148 20 0 CGADHO CCCN(Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001236833392 819613656 /nfs/dbraw/zinc/61/36/56/819613656.db2.gz ANPDTBJEXWYTRK-AWEZNQCLSA-N 1 3 266.816 3.162 20 0 CGADHO CCCN(Cc1ccc(F)c2ccoc21)C[C@@H]1CC[NH2+]C1 ZINC001236844120 819620084 /nfs/dbraw/zinc/62/00/84/819620084.db2.gz SYDQAKYSUGTTBE-CYBMUJFWSA-N 1 3 290.382 3.393 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC001237081240 819661780 /nfs/dbraw/zinc/66/17/80/819661780.db2.gz JQAVLJPGFXPPAA-QGZVFWFLSA-N 1 3 258.409 3.125 20 0 CGADHO C[C@H](N)C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266580 819711967 /nfs/dbraw/zinc/71/19/67/819711967.db2.gz XENPHOVFLYCWNC-DZGCQCFKSA-N 1 3 276.424 3.000 20 0 CGADHO C[C@H](N)C[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266580 819711971 /nfs/dbraw/zinc/71/19/71/819711971.db2.gz XENPHOVFLYCWNC-DZGCQCFKSA-N 1 3 276.424 3.000 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@@H]2CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300987 819720625 /nfs/dbraw/zinc/72/06/25/819720625.db2.gz SAAHSBHVVPLDOX-LZLYRXPVSA-N 1 3 294.442 3.293 20 0 CGADHO CC(C)c1cccc(C[NH+]2CCC(N3CCC3)CC2)c1 ZINC001237460530 819755642 /nfs/dbraw/zinc/75/56/42/819755642.db2.gz SUMYVITUQNFZDY-UHFFFAOYSA-N 1 3 272.436 3.480 20 0 CGADHO c1cc(N2CC[NH2+]CC2)cc(-c2ccc(C3CC3)cc2)n1 ZINC001238832220 820129031 /nfs/dbraw/zinc/12/90/31/820129031.db2.gz SYWCTMAHWGLVSR-UHFFFAOYSA-N 1 3 279.387 3.036 20 0 CGADHO CN1CCCC[C@@H]1c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001242021278 822285201 /nfs/dbraw/zinc/28/52/01/822285201.db2.gz FAKYAQJITISGGJ-SOLBZPMBSA-N 1 3 283.419 3.146 20 0 CGADHO Fc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1CN1CCCC1 ZINC001242027667 822291430 /nfs/dbraw/zinc/29/14/30/822291430.db2.gz GOAIZJZDZIGKDE-SJORKVTESA-N 1 3 286.394 3.329 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc2c(c1)CCC2 ZINC001349523066 936950880 /nfs/dbraw/zinc/95/08/80/936950880.db2.gz PWDUXFXRASJWTB-UHFFFAOYSA-N 1 3 280.415 3.185 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001308555032 928530994 /nfs/dbraw/zinc/53/09/94/928530994.db2.gz UHRNGXROPWNZQP-DRRXZNNHSA-N 1 3 264.457 3.133 20 0 CGADHO CC[C@H](C)[C@@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001460304591 928744388 /nfs/dbraw/zinc/74/43/88/928744388.db2.gz LQXMJWPXPWSAFQ-LSDHHAIUSA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@H](C)[C@@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC001460304591 928744394 /nfs/dbraw/zinc/74/43/94/928744394.db2.gz LQXMJWPXPWSAFQ-LSDHHAIUSA-N 1 3 261.413 3.028 20 0 CGADHO C[Si](C)(C)C[N@@H+]1CCC[C@@H](CN2CCCCCC2)C1 ZINC001459438362 937488297 /nfs/dbraw/zinc/48/82/97/937488297.db2.gz OHLZCRVWHSTSEN-INIZCTEOSA-N 1 3 282.548 3.452 20 0 CGADHO C[Si](C)(C)C[N@H+]1CCC[C@@H](CN2CCCCCC2)C1 ZINC001459438362 937488299 /nfs/dbraw/zinc/48/82/99/937488299.db2.gz OHLZCRVWHSTSEN-INIZCTEOSA-N 1 3 282.548 3.452 20 0 CGADHO CCC[C@H](C)CCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001460531223 937534473 /nfs/dbraw/zinc/53/44/73/937534473.db2.gz DMHAJPBSEFSDIC-IRXDYDNUSA-N 1 3 284.488 3.245 20 0 CGADHO Cc1ccc(C)c(CN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1 ZINC001307978079 933028427 /nfs/dbraw/zinc/02/84/27/933028427.db2.gz INBCSMVAXGMUHY-HDICACEKSA-N 1 3 272.436 3.077 20 0 CGADHO Cc1ccc(C)c(CN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC001307978079 933028431 /nfs/dbraw/zinc/02/84/31/933028431.db2.gz INBCSMVAXGMUHY-HDICACEKSA-N 1 3 272.436 3.077 20 0 CGADHO Cc1ccc(C)c(CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001307978081 933029582 /nfs/dbraw/zinc/02/95/82/933029582.db2.gz INBCSMVAXGMUHY-ROUUACIJSA-N 1 3 272.436 3.077 20 0 CGADHO CCN(CC)CCC[NH2+]C1(C2CCCCC2)CC1 ZINC001308144266 933050231 /nfs/dbraw/zinc/05/02/31/933050231.db2.gz UJGJKPMTGCWDHX-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC001308553205 933130380 /nfs/dbraw/zinc/13/03/80/933130380.db2.gz IOXDZUFHGSYPHV-YDHLFZDLSA-N 1 3 298.352 3.135 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC001308669655 933154226 /nfs/dbraw/zinc/15/42/26/933154226.db2.gz UWUXSSPLZHRAPA-INIZCTEOSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390493 936142879 /nfs/dbraw/zinc/14/28/79/936142879.db2.gz JYOKNBSPCNYTLA-YOEHRIQHSA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390493 936142881 /nfs/dbraw/zinc/14/28/81/936142881.db2.gz JYOKNBSPCNYTLA-YOEHRIQHSA-N 1 3 278.415 3.173 20 0 CGADHO CNc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CN(C)C ZINC001474646775 937872767 /nfs/dbraw/zinc/87/27/67/937872767.db2.gz FXGUYIHRRXPTNA-YJBOKZPZSA-N 1 3 289.467 3.281 20 0 CGADHO CNc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H](C)CN(C)C ZINC001474646775 937872769 /nfs/dbraw/zinc/87/27/69/937872769.db2.gz FXGUYIHRRXPTNA-YJBOKZPZSA-N 1 3 289.467 3.281 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@H]1C[C@H]1C1CCC1 ZINC001550474539 938166711 /nfs/dbraw/zinc/16/67/11/938166711.db2.gz YHPPTLKQKJFMEV-XMTFNYHQSA-N 1 3 276.468 3.181 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1[C@H](c3ccccc3)C1(C)C)[NH2+]2 ZINC001550474644 938166724 /nfs/dbraw/zinc/16/67/24/938166724.db2.gz LCDVGJIJCZRQRQ-DOTURHINSA-N 1 3 284.447 3.297 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC001552080894 938190073 /nfs/dbraw/zinc/19/00/73/938190073.db2.gz XMOZCILCCPNHJP-PKIAMQTDSA-N 1 3 296.817 3.313 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC001553024375 938195902 /nfs/dbraw/zinc/19/59/02/938195902.db2.gz ANEUMNAVPVGKLB-ICUGJSFKSA-N 1 3 284.447 3.156 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001553026652 938196028 /nfs/dbraw/zinc/19/60/28/938196028.db2.gz WSAOEBSQGSIERE-CLRIEMFWSA-N 1 3 290.373 3.085 20 0 CGADHO OC1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CCCCCC1 ZINC001559550782 938229089 /nfs/dbraw/zinc/22/90/89/938229089.db2.gz RJJFPXFHSUBZCN-KRWDZBQOSA-N 1 3 294.483 3.022 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+]C[C@@H]2CN3CCC2CC3)C1 ZINC001561034097 938290460 /nfs/dbraw/zinc/29/04/60/938290460.db2.gz HFAMGBNILHNQOF-GOEBONIOSA-N 1 3 264.457 3.134 20 0 CGADHO C(CC1CCCCCC1)[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001561034433 938290720 /nfs/dbraw/zinc/29/07/20/938290720.db2.gz QBDDHSONEUSCGM-QGZVFWFLSA-N 1 3 264.457 3.278 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(Br)cc1 ZINC000261563365 957685996 /nfs/dbraw/zinc/68/59/96/957685996.db2.gz BURIIBKBSAGZSE-CWSCBRNRSA-N 1 3 285.229 3.226 20 0 CGADHO CC(C)[NH+]1CCC(NCCc2c(F)cccc2Cl)CC1 ZINC001257202937 960426608 /nfs/dbraw/zinc/42/66/08/960426608.db2.gz QYVTWVVVFWWRKZ-UHFFFAOYSA-N 1 3 298.833 3.484 20 0 CGADHO CCCN1CCC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001258773739 960428757 /nfs/dbraw/zinc/42/87/57/960428757.db2.gz AISJXCQLWCXCIP-LBPRGKRZSA-N 1 3 278.362 3.135 20 0 CGADHO CCCN1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001258773739 960428762 /nfs/dbraw/zinc/42/87/62/960428762.db2.gz AISJXCQLWCXCIP-LBPRGKRZSA-N 1 3 278.362 3.135 20 0 CGADHO CCCCO[C@@H]1C[C@@H](N(C)C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463074 960476715 /nfs/dbraw/zinc/47/67/15/960476715.db2.gz JIIBWDIDGFPDKP-NUJGCVRESA-N 1 3 296.499 3.292 20 0 CGADHO CCCOC1(CN[C@@H](C)C[C@@H]2CCC[NH2+]2)CCCCC1 ZINC001577577237 960480047 /nfs/dbraw/zinc/48/00/47/960480047.db2.gz HBQCMCQLQOVXHR-HOTGVXAUSA-N 1 3 282.472 3.236 20 0 CGADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](N)C(C)C ZINC001574979595 962340064 /nfs/dbraw/zinc/34/00/64/962340064.db2.gz JVYOWQWNPSYKQJ-ICDLMJIXSA-N 1 3 298.377 3.264 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCCN2)CS1 ZINC001575119409 962348238 /nfs/dbraw/zinc/34/82/38/962348238.db2.gz JLPDCCMMTNPXNH-MCIONIFRSA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)C(C[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1)C(C)C ZINC001575428892 962378635 /nfs/dbraw/zinc/37/86/35/962378635.db2.gz OWOIKNQYZSKBCN-RDJZCZTQSA-N 1 3 266.473 3.366 20 0 CGADHO CC(C)C(C[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1)C(C)C ZINC001575428892 962378652 /nfs/dbraw/zinc/37/86/52/962378652.db2.gz OWOIKNQYZSKBCN-RDJZCZTQSA-N 1 3 266.473 3.366 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCN1 ZINC001575546036 962384990 /nfs/dbraw/zinc/38/49/90/962384990.db2.gz SCZAJIRODLHGCL-HZPDHXFCSA-N 1 3 280.843 3.249 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001575531268 962393280 /nfs/dbraw/zinc/39/32/80/962393280.db2.gz NCDQIJPCZKWERO-XHSDSOJGSA-N 1 3 252.446 3.120 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001575531268 962393301 /nfs/dbraw/zinc/39/33/01/962393301.db2.gz NCDQIJPCZKWERO-XHSDSOJGSA-N 1 3 252.446 3.120 20 0 CGADHO CC1(C)CC[C@H](CN[C@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421302 962455486 /nfs/dbraw/zinc/45/54/86/962455486.db2.gz LPNOKNMKZTWNIJ-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CC[C@@H](CN[C@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422173 962461143 /nfs/dbraw/zinc/46/11/43/962461143.db2.gz TYNCVOWWSOLNOI-HOTGVXAUSA-N 1 3 294.483 3.236 20 0 CGADHO CC(C)(C)OC1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC001576518761 962463398 /nfs/dbraw/zinc/46/33/98/962463398.db2.gz GSSSJKDDROVRNS-DQPZFDDXSA-N 1 3 282.472 3.092 20 0 CGADHO CC[C@H]1CCCCC[N@@H+]1Cc1cc(C(C)(C)N)no1 ZINC001577255710 962516124 /nfs/dbraw/zinc/51/61/24/962516124.db2.gz ZTLHERSIOKBUTC-LBPRGKRZSA-N 1 3 265.401 3.023 20 0 CGADHO CC[C@H]1CCCCC[N@H+]1Cc1cc(C(C)(C)N)no1 ZINC001577255710 962516141 /nfs/dbraw/zinc/51/61/41/962516141.db2.gz ZTLHERSIOKBUTC-LBPRGKRZSA-N 1 3 265.401 3.023 20 0 CGADHO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC001577375380 962532574 /nfs/dbraw/zinc/53/25/74/962532574.db2.gz YFIHPLDSIVSMGP-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC001577375380 962532582 /nfs/dbraw/zinc/53/25/82/962532582.db2.gz YFIHPLDSIVSMGP-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1ccc(CN(CC(C)C)C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001578259679 962582266 /nfs/dbraw/zinc/58/22/66/962582266.db2.gz DYFNUCVGNIIOMY-RBUKOAKNSA-N 1 3 286.463 3.317 20 0 CGADHO Cc1cc(C)cc(CC[NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)c1 ZINC001579580349 962639873 /nfs/dbraw/zinc/63/98/73/962639873.db2.gz WCTAINMVAOFXFM-KZNAEPCWSA-N 1 3 286.463 3.212 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001579580349 962639880 /nfs/dbraw/zinc/63/98/80/962639880.db2.gz WCTAINMVAOFXFM-KZNAEPCWSA-N 1 3 286.463 3.212 20 0 CGADHO F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001580027151 962687143 /nfs/dbraw/zinc/68/71/43/962687143.db2.gz KCKYKZMLQJRQMR-MWIANEHASA-N 1 3 288.410 3.134 20 0 CGADHO NCCC[N@H+](CCc1ccc(F)cc1F)CC1CCCC1 ZINC001580297041 962715851 /nfs/dbraw/zinc/71/58/51/962715851.db2.gz DMOSICXTCWRQAZ-UHFFFAOYSA-N 1 3 296.405 3.348 20 0 CGADHO NCCC[N@@H+](CCc1ccc(F)cc1F)CC1CCCC1 ZINC001580297041 962715866 /nfs/dbraw/zinc/71/58/66/962715866.db2.gz DMOSICXTCWRQAZ-UHFFFAOYSA-N 1 3 296.405 3.348 20 0 CGADHO [NH3+]CCCN(CCc1ccc(F)cc1F)CC1CCCC1 ZINC001580297041 962715883 /nfs/dbraw/zinc/71/58/83/962715883.db2.gz DMOSICXTCWRQAZ-UHFFFAOYSA-N 1 3 296.405 3.348 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)s1 ZINC000621729103 349569243 /nfs/dbraw/zinc/56/92/43/349569243.db2.gz JBGLTJCRKPBXEC-MRXNPFEDSA-N 1 3 278.465 3.228 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)s1 ZINC000621729103 349569247 /nfs/dbraw/zinc/56/92/47/349569247.db2.gz JBGLTJCRKPBXEC-MRXNPFEDSA-N 1 3 278.465 3.228 20 0 CGADHO COc1ccc([C@H](C)NCCC2CC[NH+](C)CC2)c(F)c1 ZINC000125298252 187178417 /nfs/dbraw/zinc/17/84/17/187178417.db2.gz JGEWVITXERWGOI-ZDUSSCGKSA-N 1 3 294.414 3.217 20 0 CGADHO Cc1ccc(C[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000096971774 185144424 /nfs/dbraw/zinc/14/44/24/185144424.db2.gz MKGAFTXVGSMVGV-QGZVFWFLSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ccc(C[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000096971774 185144425 /nfs/dbraw/zinc/14/44/25/185144425.db2.gz MKGAFTXVGSMVGV-QGZVFWFLSA-N 1 3 260.425 3.301 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H](C)CCc1ccco1 ZINC000651866003 398298724 /nfs/dbraw/zinc/29/87/24/398298724.db2.gz PYLKUKRGHPJHJY-OAHLLOKOSA-N 1 3 266.429 3.168 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H](C)CCc1ccco1 ZINC000651866003 398298726 /nfs/dbraw/zinc/29/87/26/398298726.db2.gz PYLKUKRGHPJHJY-OAHLLOKOSA-N 1 3 266.429 3.168 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000651866003 398298727 /nfs/dbraw/zinc/29/87/27/398298727.db2.gz PYLKUKRGHPJHJY-OAHLLOKOSA-N 1 3 266.429 3.168 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H](C)CCC(F)(F)F ZINC000651866011 398298877 /nfs/dbraw/zinc/29/88/77/398298877.db2.gz QJRCTESOHBKUAK-GFCCVEGCSA-N 1 3 268.367 3.285 20 0 CGADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125692044 187196477 /nfs/dbraw/zinc/19/64/77/187196477.db2.gz PPJLZHNGBOLENX-BRWVUGGUSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000125692044 187196478 /nfs/dbraw/zinc/19/64/78/187196478.db2.gz PPJLZHNGBOLENX-BRWVUGGUSA-N 1 3 290.451 3.082 20 0 CGADHO CC[C@@](C)(NCCC1CC[NH2+]CC1)c1nc(C)cs1 ZINC000359220822 529505580 /nfs/dbraw/zinc/50/55/80/529505580.db2.gz NPBLIUQUKFQSPN-OAHLLOKOSA-N 1 3 281.469 3.056 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453148386 282190970 /nfs/dbraw/zinc/19/09/70/282190970.db2.gz YRXQSSAAIRMQGG-ZACQAIPSSA-N 1 3 264.457 3.418 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192932616 282194264 /nfs/dbraw/zinc/19/42/64/282194264.db2.gz FLFZYJJZGRGULT-HDMKZQKVSA-N 1 3 287.451 3.396 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H]1C[C@H]1C ZINC000414152677 529589520 /nfs/dbraw/zinc/58/95/20/529589520.db2.gz ZYZCREYGNBXNIE-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@@H]1C ZINC000414152681 529589590 /nfs/dbraw/zinc/58/95/90/529589590.db2.gz ZYZCREYGNBXNIE-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H]1C[C@@H]1C ZINC000414060200 529630918 /nfs/dbraw/zinc/63/09/18/529630918.db2.gz JFEIZQXFXUQSFP-JQFCIGGWSA-N 1 3 260.425 3.272 20 0 CGADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423296242 529618058 /nfs/dbraw/zinc/61/80/58/529618058.db2.gz GKOLVLGLFDBPQB-ACJLOTCBSA-N 1 3 286.419 3.484 20 0 CGADHO CCOCc1ccccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623347674 349784417 /nfs/dbraw/zinc/78/44/17/349784417.db2.gz IBIPXTKWBWJZRE-QGZVFWFLSA-N 1 3 290.451 3.186 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000423272700 529669591 /nfs/dbraw/zinc/66/95/91/529669591.db2.gz IHRXATGPTAUMBR-XBFCOCLRSA-N 1 3 252.427 3.306 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000423275874 529669932 /nfs/dbraw/zinc/66/99/32/529669932.db2.gz MEEXHFZHGRABNK-KBMXLJTQSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000423368116 529670403 /nfs/dbraw/zinc/67/04/03/529670403.db2.gz CZBRHQQIEWKSJM-YCPHGPKFSA-N 1 3 276.424 3.314 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000423380765 529671787 /nfs/dbraw/zinc/67/17/87/529671787.db2.gz NXPNTHNBUSHWDN-WHOFXGATSA-N 1 3 298.377 3.469 20 0 CGADHO CN(C)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000262379402 282249922 /nfs/dbraw/zinc/24/99/22/282249922.db2.gz YMFLOLXTOMQGTI-GBESFXJTSA-N 1 3 295.430 3.024 20 0 CGADHO CC[C@@H](CC(F)(F)F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492882 349820395 /nfs/dbraw/zinc/82/03/95/349820395.db2.gz MYIUIKZZGDXLHX-WDEREUQCSA-N 1 3 266.351 3.180 20 0 CGADHO CC[C@@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492882 349820396 /nfs/dbraw/zinc/82/03/96/349820396.db2.gz MYIUIKZZGDXLHX-WDEREUQCSA-N 1 3 266.351 3.180 20 0 CGADHO C[N@@H+]1CC[C@H](NC[C@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506338 349822980 /nfs/dbraw/zinc/82/29/80/349822980.db2.gz NZFAVPNZVORNGB-JKSUJKDBSA-N 1 3 294.483 3.331 20 0 CGADHO C[N@H+]1CC[C@H](NC[C@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506338 349822983 /nfs/dbraw/zinc/82/29/83/349822983.db2.gz NZFAVPNZVORNGB-JKSUJKDBSA-N 1 3 294.483 3.331 20 0 CGADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657515 349859448 /nfs/dbraw/zinc/85/94/48/349859448.db2.gz SLHCRHQFFNCXPB-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO CC(C)C(C[NH2+]C[C@@H]1CCCCN(C)C1)C(C)C ZINC000623657535 349860174 /nfs/dbraw/zinc/86/01/74/349860174.db2.gz TYHJQRFFIKUEJY-HNNXBMFYSA-N 1 3 254.462 3.236 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000623656599 349858318 /nfs/dbraw/zinc/85/83/18/349858318.db2.gz YBOVSUGIOMCJSJ-ZBZNSMLMSA-N 1 3 258.409 3.021 20 0 CGADHO CN(CCCCOC(C)(C)C)CC[C@@H]1CCCC[N@@H+]1C ZINC000354860283 529885032 /nfs/dbraw/zinc/88/50/32/529885032.db2.gz LPEYCZTTWWTHLM-INIZCTEOSA-N 1 3 284.488 3.388 20 0 CGADHO CN(CCCCOC(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC000354860283 529885034 /nfs/dbraw/zinc/88/50/34/529885034.db2.gz LPEYCZTTWWTHLM-INIZCTEOSA-N 1 3 284.488 3.388 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1CCC(CC[NH3+])CC1 ZINC000070183455 345388975 /nfs/dbraw/zinc/38/89/75/345388975.db2.gz URIZEYMGHKSCQV-GFCCVEGCSA-N 1 3 266.816 3.462 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)CN1CCCC1 ZINC000089610069 232179758 /nfs/dbraw/zinc/17/97/58/232179758.db2.gz JJZUSZAQKBTNGH-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000220761781 346296870 /nfs/dbraw/zinc/29/68/70/346296870.db2.gz UQRWXVFYBCBKHE-CABZTGNLSA-N 1 3 260.303 3.093 20 0 CGADHO Cc1nccnc1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000188007021 232444273 /nfs/dbraw/zinc/44/42/73/232444273.db2.gz MRTFNQNOWCDDCT-HNNXBMFYSA-N 1 3 290.455 3.092 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000252217285 346390624 /nfs/dbraw/zinc/39/06/24/346390624.db2.gz YARNCZLORWOIST-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000252694273 346392200 /nfs/dbraw/zinc/39/22/00/346392200.db2.gz ZNLHZPGRNXPLOC-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO CCSC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000595101498 347284451 /nfs/dbraw/zinc/28/44/51/347284451.db2.gz VNFXJBZGTPPZPJ-UHFFFAOYSA-N 1 3 270.486 3.125 20 0 CGADHO CCSC1(CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000595101498 347284454 /nfs/dbraw/zinc/28/44/54/347284454.db2.gz VNFXJBZGTPPZPJ-UHFFFAOYSA-N 1 3 270.486 3.125 20 0 CGADHO CCc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000128491795 187374099 /nfs/dbraw/zinc/37/40/99/187374099.db2.gz VFJXUTGVWJAPGC-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000624120084 349977594 /nfs/dbraw/zinc/97/75/94/349977594.db2.gz QZESBLRZXJVOKI-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000624120084 349977596 /nfs/dbraw/zinc/97/75/96/349977596.db2.gz QZESBLRZXJVOKI-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000624120084 349977601 /nfs/dbraw/zinc/97/76/01/349977601.db2.gz QZESBLRZXJVOKI-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@H](C)C1 ZINC000624122091 349980444 /nfs/dbraw/zinc/98/04/44/349980444.db2.gz JMHIZLJWJIDTEU-FPCVCCKLSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121660 349980476 /nfs/dbraw/zinc/98/04/76/349980476.db2.gz ALOIKPYEBMFOIG-OLZOCXBDSA-N 1 3 280.378 3.429 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000624123051 349981995 /nfs/dbraw/zinc/98/19/95/349981995.db2.gz DVBCLHFYWJNLJT-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CC1(C)C ZINC000624123282 349983131 /nfs/dbraw/zinc/98/31/31/349983131.db2.gz IYCDDWUBIIDWBE-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)c2ccccc2n1 ZINC000613491178 348611137 /nfs/dbraw/zinc/61/11/37/348611137.db2.gz HLGGGMKOECDYDE-HNNXBMFYSA-N 1 3 283.419 3.251 20 0 CGADHO Cc1cc(NCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2n1 ZINC000613491178 348611140 /nfs/dbraw/zinc/61/11/40/348611140.db2.gz HLGGGMKOECDYDE-HNNXBMFYSA-N 1 3 283.419 3.251 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213164 191005932 /nfs/dbraw/zinc/00/59/32/191005932.db2.gz VLIBJZBBKRVTHU-NVXWUHKLSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213164 191005934 /nfs/dbraw/zinc/00/59/34/191005934.db2.gz VLIBJZBBKRVTHU-NVXWUHKLSA-N 1 3 290.451 3.166 20 0 CGADHO C[C@]12CCCC[C@H]1CN2CCC[NH+]1CCCCC1 ZINC000626103822 350260872 /nfs/dbraw/zinc/26/08/72/350260872.db2.gz RLQMGCKWRBCCSR-HOTGVXAUSA-N 1 3 250.430 3.127 20 0 CGADHO CC(C)[NH+](CCCNC[C@@]1(C)CCCS1)C(C)C ZINC000628227324 350449010 /nfs/dbraw/zinc/44/90/10/350449010.db2.gz BNEMKRHBSWCNAC-OAHLLOKOSA-N 1 3 272.502 3.371 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000629527029 350703430 /nfs/dbraw/zinc/70/34/30/350703430.db2.gz IFLRADRKAVDTTA-ZJPYXAASSA-N 1 3 272.436 3.128 20 0 CGADHO Cc1cc2cc([C@@H](C)NCCOCCC[NH3+])oc2cc1C ZINC000629541958 350707869 /nfs/dbraw/zinc/70/78/69/350707869.db2.gz VALWBMQYCWQMSW-CQSZACIVSA-N 1 3 290.407 3.066 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629546221 350709522 /nfs/dbraw/zinc/70/95/22/350709522.db2.gz FXWMVTYIYHJCFD-PGUXBMHVSA-N 1 3 266.816 3.433 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629549866 350710855 /nfs/dbraw/zinc/71/08/55/350710855.db2.gz JBCWIIHQSXIUQN-NEPJUHHUSA-N 1 3 278.362 3.216 20 0 CGADHO Clc1ccc2c(c1)[C@@H](N[C@@H]1CCC[NH2+]CC1)CCC2 ZINC000629549170 350711145 /nfs/dbraw/zinc/71/11/45/350711145.db2.gz QWTSVCLTIGLTGJ-ZBFHGGJFSA-N 1 3 278.827 3.449 20 0 CGADHO [NH3+]C[C@H]1CN(CC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629559337 350712883 /nfs/dbraw/zinc/71/28/83/350712883.db2.gz AVPGUBCHVVYPMQ-KBPBESRZSA-N 1 3 292.389 3.416 20 0 CGADHO [NH3+]C[C@@H]1CN(CCCC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629561803 350713488 /nfs/dbraw/zinc/71/34/88/350713488.db2.gz JPQWSHLNPSLEMW-OLZOCXBDSA-N 1 3 278.362 3.026 20 0 CGADHO C[NH2+]CCc1cccc(-c2cc(CN(C)C)ccc2F)c1 ZINC000629737481 350758999 /nfs/dbraw/zinc/75/89/99/350758999.db2.gz UHOTZEZKCBNFDF-UHFFFAOYSA-N 1 3 286.394 3.316 20 0 CGADHO C[NH2+]CCc1cccc(-c2cccc(OCCN(C)C)c2)c1 ZINC000629700397 350743459 /nfs/dbraw/zinc/74/34/59/350743459.db2.gz JXIKLSZYQNFDGM-UHFFFAOYSA-N 1 3 298.430 3.056 20 0 CGADHO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC1=CCN(C)CC1 ZINC000631606474 351088498 /nfs/dbraw/zinc/08/84/98/351088498.db2.gz JPRSMEITDQJJDH-HNNXBMFYSA-N 1 3 297.446 3.341 20 0 CGADHO C[C@H](Cc1ccsc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733080 351578184 /nfs/dbraw/zinc/57/81/84/351578184.db2.gz WWTSYCNJKSGAOY-OCCSQVGLSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733080 351578187 /nfs/dbraw/zinc/57/81/87/351578187.db2.gz WWTSYCNJKSGAOY-OCCSQVGLSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733332 351578790 /nfs/dbraw/zinc/57/87/90/351578790.db2.gz CTTSOIHVWUHUTJ-XJKSGUPXSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733332 351578793 /nfs/dbraw/zinc/57/87/93/351578793.db2.gz CTTSOIHVWUHUTJ-XJKSGUPXSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733792 351579661 /nfs/dbraw/zinc/57/96/61/351579661.db2.gz OCQDEDLHEGYUGP-ZFWWWQNUSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733792 351579665 /nfs/dbraw/zinc/57/96/65/351579665.db2.gz OCQDEDLHEGYUGP-ZFWWWQNUSA-N 1 3 278.415 3.125 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000634733722 351579779 /nfs/dbraw/zinc/57/97/79/351579779.db2.gz LZOIMFOXMQZXFB-ULQDDVLXSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccs1 ZINC000635004724 351622844 /nfs/dbraw/zinc/62/28/44/351622844.db2.gz KEENZZLUKCQVGM-DZGCQCFKSA-N 1 3 274.433 3.359 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000635004655 351622939 /nfs/dbraw/zinc/62/29/39/351622939.db2.gz FWLUAOVQXSYFQJ-GVDBMIGSSA-N 1 3 278.415 3.064 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CCCC1 ZINC000635005469 351623827 /nfs/dbraw/zinc/62/38/27/351623827.db2.gz IYBCBDDGLZLZPT-PBHICJAKSA-N 1 3 260.425 3.115 20 0 CGADHO N[C@H](CC[NH2+]C1CCC(C(F)F)CC1)Cc1ccccc1 ZINC000635007468 351625732 /nfs/dbraw/zinc/62/57/32/351625732.db2.gz OMKXYGKXAUTAPL-HWOWSKLDSA-N 1 3 296.405 3.360 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000635008225 351626385 /nfs/dbraw/zinc/62/63/85/351626385.db2.gz SIEQPJWYNIZYMY-GJZGRUSLSA-N 1 3 290.451 3.432 20 0 CGADHO C[C@H](c1ccccn1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123592722 187100042 /nfs/dbraw/zinc/10/00/42/187100042.db2.gz IDNMLVNHPHNJAC-OAHLLOKOSA-N 1 3 275.440 3.196 20 0 CGADHO CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000152435003 188018508 /nfs/dbraw/zinc/01/85/08/188018508.db2.gz PBJHFZGLIOYHAA-QGZVFWFLSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000152435003 188018509 /nfs/dbraw/zinc/01/85/09/188018509.db2.gz PBJHFZGLIOYHAA-QGZVFWFLSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H](CCSc1ccccc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000153492108 188085191 /nfs/dbraw/zinc/08/51/91/188085191.db2.gz ZXPSNPIZDDXPAW-JKSUJKDBSA-N 1 3 292.492 3.441 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414906750 282924058 /nfs/dbraw/zinc/92/40/58/282924058.db2.gz MNPXMVVOPUHEBV-OWCLPIDISA-N 1 3 252.446 3.325 20 0 CGADHO COc1ccc(C[NH2+]CC2=CCN(C)CC2)c2ccccc12 ZINC000271855942 191369505 /nfs/dbraw/zinc/36/95/05/191369505.db2.gz UQSLSBXJYPKUFT-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO Cc1cc(NCCCC[N@@H+](C)C2CC2)c2ccccc2n1 ZINC000413345529 235270628 /nfs/dbraw/zinc/27/06/28/235270628.db2.gz FUBIVYNMYRZHLK-UHFFFAOYSA-N 1 3 283.419 3.251 20 0 CGADHO Cc1cc(NCCCC[N@H+](C)C2CC2)c2ccccc2n1 ZINC000413345529 235270630 /nfs/dbraw/zinc/27/06/30/235270630.db2.gz FUBIVYNMYRZHLK-UHFFFAOYSA-N 1 3 283.419 3.251 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172670 235353850 /nfs/dbraw/zinc/35/38/50/235353850.db2.gz DZRZSDQSKHJTEI-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172670 235353851 /nfs/dbraw/zinc/35/38/51/235353851.db2.gz DZRZSDQSKHJTEI-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000093491348 138346337 /nfs/dbraw/zinc/34/63/37/138346337.db2.gz XUPYNFDYDDOXTK-OWCLPIDISA-N 1 3 278.465 3.457 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccsc1 ZINC000093516040 138347235 /nfs/dbraw/zinc/34/72/35/138347235.db2.gz LERXAZMVZSSZCO-ZFWWWQNUSA-N 1 3 266.454 3.191 20 0 CGADHO COc1ccccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000093688650 138348490 /nfs/dbraw/zinc/34/84/90/138348490.db2.gz YSPLCMRAEJYSDL-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000111716045 138364552 /nfs/dbraw/zinc/36/45/52/138364552.db2.gz CJNQRTGGABRSLM-KGLIPLIRSA-N 1 3 269.392 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423098842 235973149 /nfs/dbraw/zinc/97/31/49/235973149.db2.gz SQHINYKGBWIMQT-CYUUQNCZSA-N 1 3 298.352 3.421 20 0 CGADHO CCC[N@H+](CCO[C@H]1CCCC[C@H]1C)C1CCNCC1 ZINC000431079984 283266431 /nfs/dbraw/zinc/26/64/31/283266431.db2.gz KNTWRWVCLGLHIC-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CCC[N@@H+](CCO[C@H]1CCCC[C@H]1C)C1CCNCC1 ZINC000431079984 283266432 /nfs/dbraw/zinc/26/64/32/283266432.db2.gz KNTWRWVCLGLHIC-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CCCN(CCO[C@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000431079984 283266433 /nfs/dbraw/zinc/26/64/33/283266433.db2.gz KNTWRWVCLGLHIC-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423224301 236000683 /nfs/dbraw/zinc/00/06/83/236000683.db2.gz BSYDIMNZKOPCDA-UWVGGRQHSA-N 1 3 260.303 3.093 20 0 CGADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423246048 236007826 /nfs/dbraw/zinc/00/78/26/236007826.db2.gz JRVNQHAWYQCBLC-RYUDHWBXSA-N 1 3 297.240 3.099 20 0 CGADHO C[C@H](N[C@@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284912 236023083 /nfs/dbraw/zinc/02/30/83/236023083.db2.gz XMVWIPJWPDEAOE-SJCJKPOMSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](c1ccccc1F)C1CCCC1 ZINC000423294086 236027310 /nfs/dbraw/zinc/02/73/10/236027310.db2.gz BGFSEGPODBNRSL-WBMJQRKESA-N 1 3 264.388 3.241 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423295530 236028569 /nfs/dbraw/zinc/02/85/69/236028569.db2.gz FAIYPNVYEYOUAQ-RKDXNWHRSA-N 1 3 261.196 3.239 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]C[C@]2(C)CCCNC2)C2CC2)c1 ZINC000423327122 236039903 /nfs/dbraw/zinc/03/99/03/236039903.db2.gz LEYGBIIDLFTGIR-RTBURBONSA-N 1 3 286.463 3.295 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423303237 236032477 /nfs/dbraw/zinc/03/24/77/236032477.db2.gz IOVLDFHRVYTZLS-GRYCIOLGSA-N 1 3 254.805 3.016 20 0 CGADHO Cc1cc([C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C2CC2)ccc1F ZINC000423365925 236051295 /nfs/dbraw/zinc/05/12/95/236051295.db2.gz CEXPCJDRULMJKP-YLQAJVPDSA-N 1 3 276.399 3.315 20 0 CGADHO Cc1cc([C@H]([NH2+][C@H]2CCN[C@H](C)C2)C2CC2)ccc1F ZINC000423365907 236051793 /nfs/dbraw/zinc/05/17/93/236051793.db2.gz CEXPCJDRULMJKP-ISTRZQFTSA-N 1 3 276.399 3.315 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423364444 236051808 /nfs/dbraw/zinc/05/18/08/236051808.db2.gz WAYXFQUOBSUNHT-IBGZPJMESA-N 1 3 294.398 3.076 20 0 CGADHO C[C@@H](CN)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423372603 236054363 /nfs/dbraw/zinc/05/43/63/236054363.db2.gz RFHWAFONEOASOQ-CABZTGNLSA-N 1 3 270.829 3.204 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423453733 236074499 /nfs/dbraw/zinc/07/44/99/236074499.db2.gz XZGIODRBAOVLTL-IHRRRGAJSA-N 1 3 269.392 3.135 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423454949 236074950 /nfs/dbraw/zinc/07/49/50/236074950.db2.gz ZRWUNHKSWCEENS-PKFCDNJMSA-N 1 3 252.789 3.116 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H]1CNCCCO1 ZINC000423490632 236085067 /nfs/dbraw/zinc/08/50/67/236085067.db2.gz IISQEHLOHSGIFP-AEFFLSMTSA-N 1 3 290.451 3.050 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000423503630 236088728 /nfs/dbraw/zinc/08/87/28/236088728.db2.gz FZHBOIZHIIFSLJ-AKHDSKFASA-N 1 3 284.447 3.300 20 0 CGADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[C@H](C)N3CCCCC3)C[C@H]2C1 ZINC000424282611 236142273 /nfs/dbraw/zinc/14/22/73/236142273.db2.gz QTLCFRMGGDCUMH-QXDIGNSFSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]C[C@H](C)CN(C)C)C2CC2)c1 ZINC000425945486 236275351 /nfs/dbraw/zinc/27/53/51/236275351.db2.gz RCRRCAOIVYSNAR-MAUKXSAKSA-N 1 3 274.452 3.103 20 0 CGADHO CCc1ccc2nccc(N3CC[C@H](C[NH+](C)C)C3)c2c1 ZINC000294860505 199217790 /nfs/dbraw/zinc/21/77/90/199217790.db2.gz DARRXNVODSFOEZ-OAHLLOKOSA-N 1 3 283.419 3.185 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCOC1CCCC1 ZINC000422830448 296000205 /nfs/dbraw/zinc/00/02/05/296000205.db2.gz RDLOJAAMXZWLPY-HOTGVXAUSA-N 1 3 282.472 3.236 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000423376941 283574633 /nfs/dbraw/zinc/57/46/33/283574633.db2.gz JLKRVSUCYVTQMX-FMKPAKJESA-N 1 3 262.372 3.063 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OC(F)F)cc1 ZINC000179616851 189208010 /nfs/dbraw/zinc/20/80/10/189208010.db2.gz QHTWKICHTMTSFO-TZMCWYRMSA-N 1 3 298.377 3.423 20 0 CGADHO CC[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240454 189291907 /nfs/dbraw/zinc/29/19/07/189291907.db2.gz OOLXYAUBXAAGPR-IKGGRYGDSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240454 189291908 /nfs/dbraw/zinc/29/19/08/189291908.db2.gz OOLXYAUBXAAGPR-IKGGRYGDSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241415 189292006 /nfs/dbraw/zinc/29/20/06/189292006.db2.gz ZRMXOJFHEYAFHJ-IKGGRYGDSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241415 189292007 /nfs/dbraw/zinc/29/20/07/189292007.db2.gz ZRMXOJFHEYAFHJ-IKGGRYGDSA-N 1 3 290.451 3.225 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182827537 189336285 /nfs/dbraw/zinc/33/62/85/189336285.db2.gz SKYIQOYFTSCESP-INIZCTEOSA-N 1 3 278.415 3.032 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182827537 189336286 /nfs/dbraw/zinc/33/62/86/189336286.db2.gz SKYIQOYFTSCESP-INIZCTEOSA-N 1 3 278.415 3.032 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000119660424 370695953 /nfs/dbraw/zinc/69/59/53/370695953.db2.gz COKKQDMSQLQBCV-HPFXQQBRSA-N 1 3 294.483 3.044 20 0 CGADHO c1cc2cccc(C[N@H+]3CC[C@H](CN4CCCC4)C3)c2o1 ZINC000449026822 239123131 /nfs/dbraw/zinc/12/31/31/239123131.db2.gz GTGBFIKNLJCBBG-OAHLLOKOSA-N 1 3 284.403 3.351 20 0 CGADHO c1cc2cccc(C[N@@H+]3CC[C@H](CN4CCCC4)C3)c2o1 ZINC000449026822 239123136 /nfs/dbraw/zinc/12/31/36/239123136.db2.gz GTGBFIKNLJCBBG-OAHLLOKOSA-N 1 3 284.403 3.351 20 0 CGADHO Cc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000342542374 216390974 /nfs/dbraw/zinc/39/09/74/216390974.db2.gz DPHHOTZKSPPJRK-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000342542374 216390976 /nfs/dbraw/zinc/39/09/76/216390976.db2.gz DPHHOTZKSPPJRK-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CC[NH+](CC)[C@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302165857 201376092 /nfs/dbraw/zinc/37/60/92/201376092.db2.gz RGEQNCNHKFVIIA-HNNXBMFYSA-N 1 3 283.419 3.464 20 0 CGADHO CC[C@@H](C[N@@H+]1CC[C@H](CN(C)CC)C1)c1ccccc1 ZINC000537648075 376190175 /nfs/dbraw/zinc/19/01/75/376190175.db2.gz QXHLAFMBQDLIKB-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@@H](C[N@H+]1CC[C@H](CN(C)CC)C1)c1ccccc1 ZINC000537648075 376190184 /nfs/dbraw/zinc/19/01/84/376190184.db2.gz QXHLAFMBQDLIKB-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@@H](CN1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648075 376190190 /nfs/dbraw/zinc/19/01/90/376190190.db2.gz QXHLAFMBQDLIKB-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@@H](CN1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648075 376190196 /nfs/dbraw/zinc/19/01/96/376190196.db2.gz QXHLAFMBQDLIKB-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc2n[nH]cc2c1 ZINC000353198263 219952447 /nfs/dbraw/zinc/95/24/47/219952447.db2.gz ZAAMSOKRFFUVEJ-CQSZACIVSA-N 1 3 286.423 3.090 20 0 CGADHO Clc1ccc([C@@H]2CC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335617767 212330422 /nfs/dbraw/zinc/33/04/22/212330422.db2.gz ZQBGIZBAPFEVHD-CJNGLKHVSA-N 1 3 278.827 3.318 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000459431667 242105924 /nfs/dbraw/zinc/10/59/24/242105924.db2.gz SHGRTLQRKYPHGV-HOTGVXAUSA-N 1 3 280.843 3.345 20 0 CGADHO C[NH+](C)[C@H]1CCC[C@H](NCCc2cccc(Cl)c2)C1 ZINC000459431667 242105927 /nfs/dbraw/zinc/10/59/27/242105927.db2.gz SHGRTLQRKYPHGV-HOTGVXAUSA-N 1 3 280.843 3.345 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000459635980 242158658 /nfs/dbraw/zinc/15/86/58/242158658.db2.gz QTRWERUWMPDFER-NRSFXHEJSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000459635980 242158662 /nfs/dbraw/zinc/15/86/62/242158662.db2.gz QTRWERUWMPDFER-NRSFXHEJSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccsc2Cl)C1 ZINC000459727042 242194440 /nfs/dbraw/zinc/19/44/40/242194440.db2.gz CASVVMMFDRIJDO-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccsc2Cl)C1 ZINC000459727042 242194443 /nfs/dbraw/zinc/19/44/43/242194443.db2.gz CASVVMMFDRIJDO-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(F)cc(Cl)c2)C1 ZINC000459783963 242232489 /nfs/dbraw/zinc/23/24/89/242232489.db2.gz NOCDGYVCUCALBB-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cc(F)cc(Cl)c2)C1 ZINC000459783963 242232494 /nfs/dbraw/zinc/23/24/94/242232494.db2.gz NOCDGYVCUCALBB-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H](C)CC[NH+](C)C ZINC000462489552 242347734 /nfs/dbraw/zinc/34/77/34/242347734.db2.gz KZVIDEGKGMTIBO-CQSZACIVSA-N 1 3 271.408 3.026 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H](C)CC[NH+](C)C ZINC000462489551 242347871 /nfs/dbraw/zinc/34/78/71/242347871.db2.gz KZVIDEGKGMTIBO-AWEZNQCLSA-N 1 3 271.408 3.026 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC1(C)C)CN1CCCC1 ZINC000477945486 243062578 /nfs/dbraw/zinc/06/25/78/243062578.db2.gz OUCBXBKRGFPWEI-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000479549737 243110900 /nfs/dbraw/zinc/11/09/00/243110900.db2.gz ACVKNXFFZVQPSH-HNNXBMFYSA-N 1 3 285.435 3.216 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000484466351 243312789 /nfs/dbraw/zinc/31/27/89/243312789.db2.gz KJQAAOZEWGPFRL-ZVDSWSACSA-N 1 3 252.446 3.274 20 0 CGADHO c1ccc2c(c1)nccc2NC1CC[NH+](C2CCCC2)CC1 ZINC000484672248 243319810 /nfs/dbraw/zinc/31/98/10/243319810.db2.gz NMANYPBABGABHU-UHFFFAOYSA-N 1 3 295.430 3.476 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N)C1CCC(C(F)(F)F)CC1 ZINC000423226127 296126443 /nfs/dbraw/zinc/12/64/43/296126443.db2.gz PNAYUFFXGDPMKG-DMOGRIERSA-N 1 3 266.351 3.071 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000035016898 368991196 /nfs/dbraw/zinc/99/11/96/368991196.db2.gz OMOKNYXIUWWQNN-IBGZPJMESA-N 1 3 286.463 3.256 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000037267145 369080028 /nfs/dbraw/zinc/08/00/28/369080028.db2.gz XPACPYOFRDTPJZ-NSHDSACASA-N 1 3 286.341 3.450 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644148 369093419 /nfs/dbraw/zinc/09/34/19/369093419.db2.gz ZZANQGZMDPWTOW-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644148 369093423 /nfs/dbraw/zinc/09/34/23/369093423.db2.gz ZZANQGZMDPWTOW-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644148 369093427 /nfs/dbraw/zinc/09/34/27/369093427.db2.gz ZZANQGZMDPWTOW-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Fc1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649454 369097739 /nfs/dbraw/zinc/09/77/39/369097739.db2.gz HNBCBJLQKUYZEC-SCLBCKFNSA-N 1 3 288.410 3.351 20 0 CGADHO Fc1ccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649454 369097743 /nfs/dbraw/zinc/09/77/43/369097743.db2.gz HNBCBJLQKUYZEC-SCLBCKFNSA-N 1 3 288.410 3.351 20 0 CGADHO C[C@H](NCCCC[NH3+])c1cc(Cl)ccc1Cl ZINC000037714851 369100323 /nfs/dbraw/zinc/10/03/23/369100323.db2.gz MFTYNWNMRCUCCI-VIFPVBQESA-N 1 3 261.196 3.383 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000037786589 369113087 /nfs/dbraw/zinc/11/30/87/369113087.db2.gz LAMPXEVKIAKEOA-UHFFFAOYSA-N 1 3 274.452 3.472 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCCc2ccccc2)CC1 ZINC000037786589 369113091 /nfs/dbraw/zinc/11/30/91/369113091.db2.gz LAMPXEVKIAKEOA-UHFFFAOYSA-N 1 3 274.452 3.472 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000038041794 369142220 /nfs/dbraw/zinc/14/22/20/369142220.db2.gz GEWITTNCCPTPID-JKSUJKDBSA-N 1 3 260.425 3.459 20 0 CGADHO CCc1ccc([C@H](NC2CC[NH2+]CC2)C(C)C)cc1 ZINC000038040745 369142418 /nfs/dbraw/zinc/14/24/18/369142418.db2.gz AGZDEWVPMQJNSE-QGZVFWFLSA-N 1 3 260.425 3.288 20 0 CGADHO CCc1ccc([C@H]([NH2+]C2CCNCC2)C(C)C)cc1 ZINC000038040745 369142422 /nfs/dbraw/zinc/14/24/22/369142422.db2.gz AGZDEWVPMQJNSE-QGZVFWFLSA-N 1 3 260.425 3.288 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNCc2csc3ccccc23)C1 ZINC000048326936 369341245 /nfs/dbraw/zinc/34/12/45/369341245.db2.gz UATSBQCAGXNXJM-ZDUSSCGKSA-N 1 3 274.433 3.333 20 0 CGADHO CC[N@H+]1CC[C@@H](CNCc2csc3ccccc23)C1 ZINC000048326936 369341252 /nfs/dbraw/zinc/34/12/52/369341252.db2.gz UATSBQCAGXNXJM-ZDUSSCGKSA-N 1 3 274.433 3.333 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000048326936 369341255 /nfs/dbraw/zinc/34/12/55/369341255.db2.gz UATSBQCAGXNXJM-ZDUSSCGKSA-N 1 3 274.433 3.333 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1cccs1)CN1CCCC1 ZINC000062077877 369617678 /nfs/dbraw/zinc/61/76/78/369617678.db2.gz SFPOMUDMVFMPDN-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO COc1cccc([C@@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063198229 369643390 /nfs/dbraw/zinc/64/33/90/369643390.db2.gz XEKAVCIEHIJHHY-KDOFPFPSSA-N 1 3 288.435 3.220 20 0 CGADHO Fc1cc(F)cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093453143 370133445 /nfs/dbraw/zinc/13/34/45/370133445.db2.gz COHPTKDPDDQEKW-BBWFWOEESA-N 1 3 294.389 3.018 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000093770263 370157605 /nfs/dbraw/zinc/15/76/05/370157605.db2.gz LVFSNVROQIKKND-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093770263 370157607 /nfs/dbraw/zinc/15/76/07/370157607.db2.gz LVFSNVROQIKKND-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000513654493 245086959 /nfs/dbraw/zinc/08/69/59/245086959.db2.gz IUACPNHKQYUDCU-HRCADAONSA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000513654493 245086964 /nfs/dbraw/zinc/08/69/64/245086964.db2.gz IUACPNHKQYUDCU-HRCADAONSA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000513654493 245086971 /nfs/dbraw/zinc/08/69/71/245086971.db2.gz IUACPNHKQYUDCU-HRCADAONSA-N 1 3 278.827 3.302 20 0 CGADHO CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513714086 245094937 /nfs/dbraw/zinc/09/49/37/245094937.db2.gz XZPOWRDCUZAAMA-OKZBNKHCSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578061 370993185 /nfs/dbraw/zinc/99/31/85/370993185.db2.gz OPGYLELBNDOWBX-TYNCELHUSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000129578061 370993191 /nfs/dbraw/zinc/99/31/91/370993191.db2.gz OPGYLELBNDOWBX-TYNCELHUSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102290 371011604 /nfs/dbraw/zinc/01/16/04/371011604.db2.gz JAZXUNNVPGEBRD-SGMGOOAPSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102290 371011608 /nfs/dbraw/zinc/01/16/08/371011608.db2.gz JAZXUNNVPGEBRD-SGMGOOAPSA-N 1 3 298.377 3.421 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000131457767 371109190 /nfs/dbraw/zinc/10/91/90/371109190.db2.gz FPEGWZIMFDFSPL-OAHLLOKOSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc2ccccc2c1 ZINC000131739144 371127136 /nfs/dbraw/zinc/12/71/36/371127136.db2.gz DOSDGTXNXXVGER-HIFRSBDPSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000131739144 371127141 /nfs/dbraw/zinc/12/71/41/371127141.db2.gz DOSDGTXNXXVGER-HIFRSBDPSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131739144 371127146 /nfs/dbraw/zinc/12/71/46/371127146.db2.gz DOSDGTXNXXVGER-HIFRSBDPSA-N 1 3 254.377 3.009 20 0 CGADHO CC(C)[C@H](CN[C@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134137615 371305860 /nfs/dbraw/zinc/30/58/60/371305860.db2.gz VIYPOVHUTYFECD-QAPCUYQASA-N 1 3 292.442 3.467 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821854 371642532 /nfs/dbraw/zinc/64/25/32/371642532.db2.gz ULROTYRKTMLGKJ-STQMWFEESA-N 1 3 298.833 3.342 20 0 CGADHO Clc1ccc([C@@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000422764399 371791748 /nfs/dbraw/zinc/79/17/48/371791748.db2.gz OKZLXDQCCVVLQS-HNNXBMFYSA-N 1 3 264.800 3.133 20 0 CGADHO [NH3+]C1CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000422703439 371760025 /nfs/dbraw/zinc/76/00/25/371760025.db2.gz HTUMYFSKUYAXOE-HTWSVDAQSA-N 1 3 299.393 3.170 20 0 CGADHO Cc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])c(C)c1 ZINC000422708429 371762226 /nfs/dbraw/zinc/76/22/26/371762226.db2.gz XNJOELMOZJKAJV-IRXDYDNUSA-N 1 3 260.425 3.096 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1cccc(C(F)(F)F)c1 ZINC000422710047 371764106 /nfs/dbraw/zinc/76/41/06/371764106.db2.gz DTEABVQDNZNWEH-KBPBESRZSA-N 1 3 286.341 3.107 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000422763638 371792887 /nfs/dbraw/zinc/79/28/87/371792887.db2.gz UGMVBYVXBJTUKV-MCIONIFRSA-N 1 3 294.439 3.260 20 0 CGADHO Cc1c2ccccc2oc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422748577 371781381 /nfs/dbraw/zinc/78/13/81/371781381.db2.gz VEPLSUMDPVSEBX-HIFRSBDPSA-N 1 3 272.392 3.348 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000422755307 371786984 /nfs/dbraw/zinc/78/69/84/371786984.db2.gz GQDNPYAZYPEATA-YDHLFZDLSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422756698 371787621 /nfs/dbraw/zinc/78/76/21/371787621.db2.gz HWKPFMBEHAJTNF-BBRMVZONSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)c1cccc(F)c1 ZINC000422756698 371787626 /nfs/dbraw/zinc/78/76/26/371787626.db2.gz HWKPFMBEHAJTNF-BBRMVZONSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC000422758333 371790575 /nfs/dbraw/zinc/79/05/75/371790575.db2.gz JIMVKPCHNWECOG-SRVKXCTJSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1cccc(Br)c1 ZINC000422758333 371790580 /nfs/dbraw/zinc/79/05/80/371790580.db2.gz JIMVKPCHNWECOG-SRVKXCTJSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422759762 371790808 /nfs/dbraw/zinc/79/08/08/371790808.db2.gz LIFBOSXULRQQNA-DOTOQJQBSA-N 1 3 285.435 3.009 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422820241 371829476 /nfs/dbraw/zinc/82/94/76/371829476.db2.gz PPDSRVQYKSYSSF-REWJHTLYSA-N 1 3 292.389 3.475 20 0 CGADHO Cc1cc(Br)cc(C)c1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422828449 371831450 /nfs/dbraw/zinc/83/14/50/371831450.db2.gz TWLKBEVCKHYRFH-NEPJUHHUSA-N 1 3 299.256 3.281 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2cccc(Cl)c2)CC1 ZINC000422770204 371794494 /nfs/dbraw/zinc/79/44/94/371794494.db2.gz PWXVVKCTPGZLPN-NEPJUHHUSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422770204 371794499 /nfs/dbraw/zinc/79/44/99/371794499.db2.gz PWXVVKCTPGZLPN-NEPJUHHUSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422787875 371808533 /nfs/dbraw/zinc/80/85/33/371808533.db2.gz AGZNEJIIBHZFQL-JJTUDDRGSA-N 1 3 264.457 3.323 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000422804226 371820982 /nfs/dbraw/zinc/82/09/82/371820982.db2.gz DXQMGLXAKRGMJU-CQSZACIVSA-N 1 3 295.430 3.231 20 0 CGADHO COc1cc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])ccc1OC(C)C ZINC000422814928 371827047 /nfs/dbraw/zinc/82/70/47/371827047.db2.gz WLQTZKYFSUMDET-MCIONIFRSA-N 1 3 294.439 3.259 20 0 CGADHO CC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)Oc1ccccc1F ZINC000422814810 371827514 /nfs/dbraw/zinc/82/75/14/371827514.db2.gz AGNLVZQJGMQULQ-DZKIICNBSA-N 1 3 294.414 3.103 20 0 CGADHO Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422945269 371885128 /nfs/dbraw/zinc/88/51/28/371885128.db2.gz NHOTYAYKAMNQGX-SJORKVTESA-N 1 3 282.387 3.108 20 0 CGADHO Cc1nc(C)c(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000422891970 371857611 /nfs/dbraw/zinc/85/76/11/371857611.db2.gz XDNSPPPWSCMKAD-DOMZBBRYSA-N 1 3 295.496 3.203 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000422898716 371859523 /nfs/dbraw/zinc/85/95/23/371859523.db2.gz MVYLWKKFKMGBRA-FUHWJXTLSA-N 1 3 290.451 3.125 20 0 CGADHO C[C@H]([NH2+]CC1(c2ccccc2)CCCCCC1)C1CNC1 ZINC000422902033 371861008 /nfs/dbraw/zinc/86/10/08/371861008.db2.gz CNJVLNXJLRJKOP-INIZCTEOSA-N 1 3 286.463 3.476 20 0 CGADHO C[C@H](NCC1(c2ccccc2)CCCCCC1)C1C[NH2+]C1 ZINC000422902033 371861011 /nfs/dbraw/zinc/86/10/11/371861011.db2.gz CNJVLNXJLRJKOP-INIZCTEOSA-N 1 3 286.463 3.476 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)Cc1ccccc1 ZINC000422911622 371864054 /nfs/dbraw/zinc/86/40/54/371864054.db2.gz LFYDXHRPUMEDKD-IAGOWNOFSA-N 1 3 274.452 3.362 20 0 CGADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000422916936 371868332 /nfs/dbraw/zinc/86/83/32/371868332.db2.gz BZAUBASQMKRFSB-UHOFOFEASA-N 1 3 296.842 3.005 20 0 CGADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1cccc(Cl)c1 ZINC000422916935 371868446 /nfs/dbraw/zinc/86/84/46/371868446.db2.gz BZAUBASQMKRFSB-DAXOMENPSA-N 1 3 296.842 3.005 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1c(F)cccc1Cl ZINC000422918557 371869980 /nfs/dbraw/zinc/86/99/80/371869980.db2.gz HOERRMJBXVIOEL-UWVGGRQHSA-N 1 3 258.768 3.257 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422928061 371875759 /nfs/dbraw/zinc/87/57/59/371875759.db2.gz IRAXBHVWTOYGDN-BJJXKVORSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Oc1cccc(Cl)c1 ZINC000422928061 371875762 /nfs/dbraw/zinc/87/57/62/371875762.db2.gz IRAXBHVWTOYGDN-BJJXKVORSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422927874 371876037 /nfs/dbraw/zinc/87/60/37/371876037.db2.gz HNIXFQLDJMMDFZ-YRGRVCCFSA-N 1 3 284.831 3.213 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422928063 371876249 /nfs/dbraw/zinc/87/62/49/371876249.db2.gz IRAXBHVWTOYGDN-XNRPHZJLSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Oc1cccc(Cl)c1 ZINC000422928063 371876255 /nfs/dbraw/zinc/87/62/55/371876255.db2.gz IRAXBHVWTOYGDN-XNRPHZJLSA-N 1 3 296.842 3.214 20 0 CGADHO c1ccc2c(c1)cccc2CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422931654 371877456 /nfs/dbraw/zinc/87/74/56/371877456.db2.gz CEVHGDNTSSJTLB-JWTNVVGKSA-N 1 3 280.415 3.255 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000422932427 371877811 /nfs/dbraw/zinc/87/78/11/371877811.db2.gz FSARDSYSYKRMTI-ZIAGYGMSSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccc2ccccc21 ZINC000422932427 371877818 /nfs/dbraw/zinc/87/78/18/371877818.db2.gz FSARDSYSYKRMTI-ZIAGYGMSSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422940576 371881775 /nfs/dbraw/zinc/88/17/75/371881775.db2.gz HBUDDLWHTVDKEE-CJNGLKHVSA-N 1 3 280.843 3.250 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422841697 371837322 /nfs/dbraw/zinc/83/73/22/371837322.db2.gz WQGLETLJYRWUTG-USXIJHARSA-N 1 3 290.476 3.124 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1SCCc2ccccc21 ZINC000422841697 371837327 /nfs/dbraw/zinc/83/73/27/371837327.db2.gz WQGLETLJYRWUTG-USXIJHARSA-N 1 3 290.476 3.124 20 0 CGADHO C[C@@H]([NH2+]CC1(Cc2ccccc2)CCCCC1)C1CNC1 ZINC000423047220 371934171 /nfs/dbraw/zinc/93/41/71/371934171.db2.gz FWDFJRDOIBYXPF-MRXNPFEDSA-N 1 3 286.463 3.377 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000423050567 371934191 /nfs/dbraw/zinc/93/41/91/371934191.db2.gz MJBDZQDVHQLNOA-HOCLYGCPSA-N 1 3 250.430 3.245 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423049343 371934474 /nfs/dbraw/zinc/93/44/74/371934474.db2.gz JPRLEYSBSWMZLX-WMLDXEAASA-N 1 3 296.405 3.395 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423047362 371934699 /nfs/dbraw/zinc/93/46/99/371934699.db2.gz VBANSFOQKMBHRB-RYQLBKOJSA-N 1 3 288.410 3.479 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423062879 371940783 /nfs/dbraw/zinc/94/07/83/371940783.db2.gz VBRBGEWHGHNTPA-DIECFANBSA-N 1 3 260.425 3.113 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422949706 371888407 /nfs/dbraw/zinc/88/84/07/371888407.db2.gz VYZPFNFWJRZRGS-GDBMZVCRSA-N 1 3 280.843 3.380 20 0 CGADHO COc1cccc(C[C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422957882 371890570 /nfs/dbraw/zinc/89/05/70/371890570.db2.gz VTZGGRZEKZDQID-MJXNMMHHSA-N 1 3 296.414 3.361 20 0 CGADHO C[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1 ZINC000422985002 371903031 /nfs/dbraw/zinc/90/30/31/371903031.db2.gz ZXLFEZXUBCNABU-XWIAVFTESA-N 1 3 282.387 3.188 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423007039 371912604 /nfs/dbraw/zinc/91/26/04/371912604.db2.gz XBIRSYROBQGUBS-MGPQQGTHSA-N 1 3 266.454 3.273 20 0 CGADHO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)C[C@@H](C)N ZINC000423007039 371912617 /nfs/dbraw/zinc/91/26/17/371912617.db2.gz XBIRSYROBQGUBS-MGPQQGTHSA-N 1 3 266.454 3.273 20 0 CGADHO Cc1cc([C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423018748 371918265 /nfs/dbraw/zinc/91/82/65/371918265.db2.gz ZOLSCRFZEFAOSR-SRCQZFHVSA-N 1 3 276.399 3.173 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccccc2Cl)CC1 ZINC000423028998 371924600 /nfs/dbraw/zinc/92/46/00/371924600.db2.gz ULWWXFKBTQSBRG-RYUDHWBXSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028998 371924605 /nfs/dbraw/zinc/92/46/05/371924605.db2.gz ULWWXFKBTQSBRG-RYUDHWBXSA-N 1 3 266.816 3.087 20 0 CGADHO Cc1csc([C@H](C)CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000423037642 371928237 /nfs/dbraw/zinc/92/82/37/371928237.db2.gz NFISQWZXTDCIAP-NFAWXSAZSA-N 1 3 295.496 3.455 20 0 CGADHO c1ccc([C@@H](CC2CCC2)[NH2+]C2CCNCC2)cc1 ZINC000423043258 371928855 /nfs/dbraw/zinc/92/88/55/371928855.db2.gz OANDNUXDSXWEAT-QGZVFWFLSA-N 1 3 258.409 3.260 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000423046179 371932091 /nfs/dbraw/zinc/93/20/91/371932091.db2.gz FAPOKACJMKAHRL-WSMBLCCSSA-N 1 3 260.425 3.416 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423096213 371959924 /nfs/dbraw/zinc/95/99/24/371959924.db2.gz HHYQKJAJGWZFAU-UOVPBQLFSA-N 1 3 272.436 3.491 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423096936 371960977 /nfs/dbraw/zinc/96/09/77/371960977.db2.gz QBAKUOPTEUXQNU-WCZJQEMASA-N 1 3 290.426 3.440 20 0 CGADHO Fc1cccc([C@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423094735 371961698 /nfs/dbraw/zinc/96/16/98/371961698.db2.gz KQWMWTBNFKTECH-IMLUKAASSA-N 1 3 288.410 3.334 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423101312 371966297 /nfs/dbraw/zinc/96/62/97/371966297.db2.gz VZTJTRZSTXGRJB-ZJOBFFGXSA-N 1 3 276.399 3.179 20 0 CGADHO CSc1cccc(F)c1CNC1CCC(C[NH3+])CC1 ZINC000423105046 371968226 /nfs/dbraw/zinc/96/82/26/371968226.db2.gz MXIOZQZHVQOPIM-UHFFFAOYSA-N 1 3 282.428 3.155 20 0 CGADHO C[C@@H](N[C@H]1CC(C)(C)CCc2ccccc21)C1C[NH2+]C1 ZINC000423110879 371971914 /nfs/dbraw/zinc/97/19/14/371971914.db2.gz WCFLOJIEQZZWDW-DYVFJYSZSA-N 1 3 272.436 3.288 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC(C)(C)CCc2ccccc21)C1CNC1 ZINC000423110879 371971924 /nfs/dbraw/zinc/97/19/24/371971924.db2.gz WCFLOJIEQZZWDW-DYVFJYSZSA-N 1 3 272.436 3.288 20 0 CGADHO CSCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000423115224 371974066 /nfs/dbraw/zinc/97/40/66/371974066.db2.gz XODUPRJSRXXXOV-HOTGVXAUSA-N 1 3 278.465 3.299 20 0 CGADHO Cc1cc2cc(C[NH2+][C@H]3CCCCC[C@H]3N)ccc2[nH]1 ZINC000423116143 371974111 /nfs/dbraw/zinc/97/41/11/371974111.db2.gz ZQOXFPLEJVPWGA-WBVHZDCISA-N 1 3 271.408 3.226 20 0 CGADHO FC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCC1 ZINC000423115729 371975091 /nfs/dbraw/zinc/97/50/91/371975091.db2.gz YPGHVGCZTRMUNW-QLFBSQMISA-N 1 3 268.420 3.169 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCc2sc(Cl)cc21 ZINC000423120438 371977162 /nfs/dbraw/zinc/97/71/62/371977162.db2.gz GNTUORIVTMMTMO-LSJOCFKGSA-N 1 3 270.829 3.106 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000423125356 371978012 /nfs/dbraw/zinc/97/80/12/371978012.db2.gz HVPWVQQNHWIZRE-QEJZJMRPSA-N 1 3 275.440 3.468 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423126869 371979256 /nfs/dbraw/zinc/97/92/56/371979256.db2.gz JEYCMDDPTPQZLR-OKZBNKHCSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cc2ccccc2s1 ZINC000423126112 371979469 /nfs/dbraw/zinc/97/94/69/371979469.db2.gz ARFOAVNFRZSLCX-VXGBXAGGSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cc2ccccc2s1 ZINC000423126112 371979474 /nfs/dbraw/zinc/97/94/74/371979474.db2.gz ARFOAVNFRZSLCX-VXGBXAGGSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575743 371986875 /nfs/dbraw/zinc/98/68/75/371986875.db2.gz YDGYQYSEHDJGFS-OUCADQQQSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575743 371986878 /nfs/dbraw/zinc/98/68/78/371986878.db2.gz YDGYQYSEHDJGFS-OUCADQQQSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000423136816 371987013 /nfs/dbraw/zinc/98/70/13/371987013.db2.gz ZNISSAPXAIPRPQ-QMMMGPOBSA-N 1 3 296.283 3.201 20 0 CGADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C2CC2)c1 ZINC000423146567 371990877 /nfs/dbraw/zinc/99/08/77/371990877.db2.gz PQHWSKLOBFMXFU-GUYCJALGSA-N 1 3 258.409 3.357 20 0 CGADHO C[C@](O)(C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C1CCCCC1 ZINC000423070166 371946320 /nfs/dbraw/zinc/94/63/20/371946320.db2.gz FRDWBGQVYWAION-KSZLIROESA-N 1 3 288.435 3.052 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000423071172 371947505 /nfs/dbraw/zinc/94/75/05/371947505.db2.gz ODRDJCWIDNSCAB-ZDUSSCGKSA-N 1 3 277.456 3.428 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000423078371 371949339 /nfs/dbraw/zinc/94/93/39/371949339.db2.gz VVVUHKIXGIXQFW-OUAUKWLOSA-N 1 3 285.229 3.226 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3CN)CCC2)cc1C ZINC000423085226 371954628 /nfs/dbraw/zinc/95/46/28/371954628.db2.gz JKSLLRMMYZESNE-FUHWJXTLSA-N 1 3 286.463 3.442 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C2CCNCC2)c2ccccc12 ZINC000423186464 372015021 /nfs/dbraw/zinc/01/50/21/372015021.db2.gz OITZTXOVOKFSCT-ZDUSSCGKSA-N 1 3 284.403 3.251 20 0 CGADHO [NH3+]CCCN[C@@H]1CCCCc2ccc(Br)cc21 ZINC000423188656 372015365 /nfs/dbraw/zinc/01/53/65/372015365.db2.gz LZZFEYNJDLGFQW-CQSZACIVSA-N 1 3 297.240 3.155 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCNCC1 ZINC000423190975 372017364 /nfs/dbraw/zinc/01/73/64/372017364.db2.gz TXDVXOMBGTUXJV-RYUDHWBXSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NC1CC[NH2+]CC1 ZINC000423190975 372017368 /nfs/dbraw/zinc/01/73/68/372017368.db2.gz TXDVXOMBGTUXJV-RYUDHWBXSA-N 1 3 266.816 3.174 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423194350 372018881 /nfs/dbraw/zinc/01/88/81/372018881.db2.gz RHTVRBIVPSTCQX-KGLIPLIRSA-N 1 3 286.341 3.280 20 0 CGADHO C[C@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402633 372060948 /nfs/dbraw/zinc/06/09/48/372060948.db2.gz RLPMHDVKAXLOHJ-YVEFUNNKSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423222985 372040341 /nfs/dbraw/zinc/04/03/41/372040341.db2.gz DKUNADBRCDMSJS-HZMBPMFUSA-N 1 3 286.341 3.483 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1C[C@H](C)c2c1cccc2Br ZINC000423228346 372041446 /nfs/dbraw/zinc/04/14/46/372041446.db2.gz ZFNFXXQLSKAJQY-KWBADKCTSA-N 1 3 297.240 3.324 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000037644561 541864769 /nfs/dbraw/zinc/86/47/69/541864769.db2.gz HUOZIXJNPNZSRC-IUODEOHRSA-N 1 3 294.439 3.294 20 0 CGADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H](C)N ZINC000423224099 372042638 /nfs/dbraw/zinc/04/26/38/372042638.db2.gz IFKUARUWEOBLQD-NWDGAFQWSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)NCC[C@H](C)[NH3+] ZINC000423224099 372042640 /nfs/dbraw/zinc/04/26/40/372042640.db2.gz IFKUARUWEOBLQD-NWDGAFQWSA-N 1 3 288.357 3.353 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266978 372044511 /nfs/dbraw/zinc/04/45/11/372044511.db2.gz FAZXYLMRKPILLX-GWCFXTLKSA-N 1 3 274.330 3.339 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2N[C@@H](C[NH3+])C1CC1 ZINC000423281305 372048005 /nfs/dbraw/zinc/04/80/05/372048005.db2.gz UEQYBFSTRXUNCA-CVEARBPZSA-N 1 3 258.409 3.008 20 0 CGADHO CCO[C@H]1C[C@H](NCC([NH3+])(CC)CC)C1(CC)CC ZINC000423287507 372048088 /nfs/dbraw/zinc/04/80/88/372048088.db2.gz MRTZXZBBPPZHLL-KBPBESRZSA-N 1 3 270.461 3.077 20 0 CGADHO CC(C)(C)CC[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000157091511 372006611 /nfs/dbraw/zinc/00/66/11/372006611.db2.gz DEZRUOFOULJGDG-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C)CC[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000157091511 372006621 /nfs/dbraw/zinc/00/66/21/372006621.db2.gz DEZRUOFOULJGDG-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C)CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157091511 372006628 /nfs/dbraw/zinc/00/66/28/372006628.db2.gz DEZRUOFOULJGDG-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO FC(F)(F)c1cccc([C@H]([NH2+][C@@H]2CCCNC2)C2CC2)c1 ZINC000423185420 372013065 /nfs/dbraw/zinc/01/30/65/372013065.db2.gz JHWWXVISHRDFKA-HUUCEWRRSA-N 1 3 298.352 3.498 20 0 CGADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccccn1 ZINC000159158021 372110226 /nfs/dbraw/zinc/11/02/26/372110226.db2.gz ZBVNDLVWVPXSNY-HIFRSBDPSA-N 1 3 263.429 3.099 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000423527375 372071340 /nfs/dbraw/zinc/07/13/40/372071340.db2.gz METCXQWHGOKPBS-MSOLQXFVSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc(C)c1F ZINC000424370955 372085677 /nfs/dbraw/zinc/08/56/77/372085677.db2.gz FJAAJOZIAIFGSA-NWANDNLSSA-N 1 3 264.388 3.363 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000424377346 372085684 /nfs/dbraw/zinc/08/56/84/372085684.db2.gz MLMHBOHKTOZHJV-BVUBDWEXSA-N 1 3 250.430 3.075 20 0 CGADHO CCCCN(C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000163492082 372473111 /nfs/dbraw/zinc/47/31/11/372473111.db2.gz FOILCLYURRIDQB-UHFFFAOYSA-N 1 3 295.515 3.105 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000163247159 372455477 /nfs/dbraw/zinc/45/54/77/372455477.db2.gz LREBMKPSJJHVJK-UKRRQHHQSA-N 1 3 276.424 3.225 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519780 372553326 /nfs/dbraw/zinc/55/33/26/372553326.db2.gz MQJVPCPAUWQIPM-VNQPRFMTSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519780 372553332 /nfs/dbraw/zinc/55/33/32/372553332.db2.gz MQJVPCPAUWQIPM-VNQPRFMTSA-N 1 3 294.414 3.055 20 0 CGADHO C[N@H+](CC1CCN(c2ccncc2)CC1)CC1(C)CCC1 ZINC000432775362 372572347 /nfs/dbraw/zinc/57/23/47/372572347.db2.gz HMVYEHMSWZUYSW-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)CC1(C)CCC1 ZINC000432775362 372572352 /nfs/dbraw/zinc/57/23/52/372572352.db2.gz HMVYEHMSWZUYSW-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO CCN(Cc1cccc(OC(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435392147 372757861 /nfs/dbraw/zinc/75/78/61/372757861.db2.gz GFSUTWQTJRZJJI-KRWDZBQOSA-N 1 3 290.451 3.438 20 0 CGADHO CNCCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000435886049 372825627 /nfs/dbraw/zinc/82/56/27/372825627.db2.gz RRDIBQDBGJHCHR-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO CNCCC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000435886049 372825631 /nfs/dbraw/zinc/82/56/31/372825631.db2.gz RRDIBQDBGJHCHR-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO C[NH2+]CCCN(CCc1ccc(F)cc1)C1CCCC1 ZINC000435886049 372825633 /nfs/dbraw/zinc/82/56/33/372825633.db2.gz RRDIBQDBGJHCHR-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cs1 ZINC000295611852 372847237 /nfs/dbraw/zinc/84/72/37/372847237.db2.gz DUFBCOQCWAIQBJ-INIZCTEOSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cs1 ZINC000295611852 372847246 /nfs/dbraw/zinc/84/72/46/372847246.db2.gz DUFBCOQCWAIQBJ-INIZCTEOSA-N 1 3 278.465 3.220 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2cc(C)ccn2)CC1 ZINC000353498604 220121616 /nfs/dbraw/zinc/12/16/16/220121616.db2.gz RQHSNOXGHCPTGL-OAHLLOKOSA-N 1 3 275.440 3.163 20 0 CGADHO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000443647320 373161106 /nfs/dbraw/zinc/16/11/06/373161106.db2.gz XOXNTXSOHLCENW-AEFFLSMTSA-N 1 3 294.483 3.021 20 0 CGADHO CCc1ccc([C@@H]([NH2+]CCOCCN(C)C)C(C)C)cc1 ZINC000447593471 373461817 /nfs/dbraw/zinc/46/18/17/373461817.db2.gz SDBRRYWZQRZAEP-SFHVURJKSA-N 1 3 292.467 3.114 20 0 CGADHO COc1ccc(F)c(CNC(C)(C)CCC[NH+](C)C)c1 ZINC000449526745 373826213 /nfs/dbraw/zinc/82/62/13/373826213.db2.gz FLRBHKBUANFYQA-UHFFFAOYSA-N 1 3 282.403 3.044 20 0 CGADHO CN(CCCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000179278057 373850691 /nfs/dbraw/zinc/85/06/91/373850691.db2.gz FRRQWRGUDMTRHQ-QGZVFWFLSA-N 1 3 260.425 3.035 20 0 CGADHO CN(CCCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000179278057 373850699 /nfs/dbraw/zinc/85/06/99/373850699.db2.gz FRRQWRGUDMTRHQ-QGZVFWFLSA-N 1 3 260.425 3.035 20 0 CGADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000180201923 373976992 /nfs/dbraw/zinc/97/69/92/373976992.db2.gz DGMSAVPRFJBPBE-DOTOQJQBSA-N 1 3 294.483 3.188 20 0 CGADHO COC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000180201923 373976999 /nfs/dbraw/zinc/97/69/99/373976999.db2.gz DGMSAVPRFJBPBE-DOTOQJQBSA-N 1 3 294.483 3.188 20 0 CGADHO OC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCC1 ZINC000304587825 374055371 /nfs/dbraw/zinc/05/53/71/374055371.db2.gz FJBIQSWDPLEAHH-UHFFFAOYSA-N 1 3 294.483 3.068 20 0 CGADHO OC1(CNC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000304587825 374055372 /nfs/dbraw/zinc/05/53/72/374055372.db2.gz FJBIQSWDPLEAHH-UHFFFAOYSA-N 1 3 294.483 3.068 20 0 CGADHO FC1(F)CC[C@@H](CN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437543 374129139 /nfs/dbraw/zinc/12/91/39/374129139.db2.gz LBQPKCUEUYLTJU-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000450437543 374129146 /nfs/dbraw/zinc/12/91/46/374129146.db2.gz LBQPKCUEUYLTJU-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000450437543 374129152 /nfs/dbraw/zinc/12/91/52/374129152.db2.gz LBQPKCUEUYLTJU-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233318 374370914 /nfs/dbraw/zinc/37/09/14/374370914.db2.gz KBXAIXSCWMOFRL-PBFPGSCMSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233318 374370918 /nfs/dbraw/zinc/37/09/18/374370918.db2.gz KBXAIXSCWMOFRL-PBFPGSCMSA-N 1 3 276.399 3.275 20 0 CGADHO CC/C=C\C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453331034 374426264 /nfs/dbraw/zinc/42/62/64/374426264.db2.gz VJBVQEIUNZNASG-IDTUSYRASA-N 1 3 276.424 3.244 20 0 CGADHO CC/C=C\CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453331034 374426269 /nfs/dbraw/zinc/42/62/69/374426269.db2.gz VJBVQEIUNZNASG-IDTUSYRASA-N 1 3 276.424 3.244 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(Cl)cc2Cl)C1 ZINC000093209827 541978594 /nfs/dbraw/zinc/97/85/94/541978594.db2.gz UOLSAIZWWMNTBD-QWHCGFSZSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000093209827 541978598 /nfs/dbraw/zinc/97/85/98/541978598.db2.gz UOLSAIZWWMNTBD-QWHCGFSZSA-N 1 3 287.234 3.395 20 0 CGADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000459496449 374809451 /nfs/dbraw/zinc/80/94/51/374809451.db2.gz XNGFPFKOSUMNNJ-KXBFYZLASA-N 1 3 284.447 3.264 20 0 CGADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000459496449 374809454 /nfs/dbraw/zinc/80/94/54/374809454.db2.gz XNGFPFKOSUMNNJ-KXBFYZLASA-N 1 3 284.447 3.264 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000186405679 374847173 /nfs/dbraw/zinc/84/71/73/374847173.db2.gz QPDWDIGUJSGOLN-RDTXWAMCSA-N 1 3 285.435 3.007 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000186405679 374847182 /nfs/dbraw/zinc/84/71/82/374847182.db2.gz QPDWDIGUJSGOLN-RDTXWAMCSA-N 1 3 285.435 3.007 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000474479866 375115699 /nfs/dbraw/zinc/11/56/99/375115699.db2.gz SROCKCIOSXBAQC-XSLAGTTESA-N 1 3 296.499 3.149 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335757346 375404999 /nfs/dbraw/zinc/40/49/99/375404999.db2.gz IRIKNSIHYJTGGC-PBHICJAKSA-N 1 3 283.419 3.116 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335757346 375405004 /nfs/dbraw/zinc/40/50/04/375405004.db2.gz IRIKNSIHYJTGGC-PBHICJAKSA-N 1 3 283.419 3.116 20 0 CGADHO CC(C)OC1CC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000189567937 375413104 /nfs/dbraw/zinc/41/31/04/375413104.db2.gz IKABMNMGDYRSCD-WMTDPASSSA-N 1 3 294.483 3.185 20 0 CGADHO Cc1cccnc1[C@@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(C)C ZINC000120659318 542012343 /nfs/dbraw/zinc/01/23/43/542012343.db2.gz DXTNQGVVBVSDML-RDJZCZTQSA-N 1 3 289.467 3.407 20 0 CGADHO Cc1c[nH+]ccc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000191977769 375686283 /nfs/dbraw/zinc/68/62/83/375686283.db2.gz IJAOXZOKIYUSPX-UHFFFAOYSA-N 1 3 299.393 3.241 20 0 CGADHO FC1(F)CC[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000336187629 375754550 /nfs/dbraw/zinc/75/45/50/375754550.db2.gz NCKDXAOMMBEFEH-HUUCEWRRSA-N 1 3 286.410 3.372 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000128552768 542052367 /nfs/dbraw/zinc/05/23/67/542052367.db2.gz TYUQTRBLMKFQPB-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000192618661 375771536 /nfs/dbraw/zinc/77/15/36/375771536.db2.gz TUFUKOACLQGGSH-QGZVFWFLSA-N 1 3 273.424 3.009 20 0 CGADHO c1cc2c(cc1C[N@H+](C1CC1)C1CCCC1)CNCC2 ZINC000516975041 375824134 /nfs/dbraw/zinc/82/41/34/375824134.db2.gz NWGVUGMZJZKNMU-UHFFFAOYSA-N 1 3 270.420 3.239 20 0 CGADHO c1cc2c(cc1C[N@@H+](C1CC1)C1CCCC1)CNCC2 ZINC000516975041 375824138 /nfs/dbraw/zinc/82/41/38/375824138.db2.gz NWGVUGMZJZKNMU-UHFFFAOYSA-N 1 3 270.420 3.239 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccoc1 ZINC000195139493 376082760 /nfs/dbraw/zinc/08/27/60/376082760.db2.gz WPUNREOGJZGVLW-DOTOQJQBSA-N 1 3 284.403 3.452 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000536853033 376137286 /nfs/dbraw/zinc/13/72/86/376137286.db2.gz TXKNUQNCJIKSSH-XJKSGUPXSA-N 1 3 292.492 3.447 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000536853033 376137290 /nfs/dbraw/zinc/13/72/90/376137290.db2.gz TXKNUQNCJIKSSH-XJKSGUPXSA-N 1 3 292.492 3.447 20 0 CGADHO COc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c2ccccc12 ZINC000215977424 376153711 /nfs/dbraw/zinc/15/37/11/376153711.db2.gz JSWATYFYSMBKSK-KBPBESRZSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@@H+]2C[C@H](CN)C[C@@H]2C)c2ccccc12 ZINC000215977424 376153717 /nfs/dbraw/zinc/15/37/17/376153717.db2.gz JSWATYFYSMBKSK-KBPBESRZSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@H+]2C[C@H](CN)C[C@@H]2C)c2ccccc12 ZINC000215977424 376153723 /nfs/dbraw/zinc/15/37/23/376153723.db2.gz JSWATYFYSMBKSK-KBPBESRZSA-N 1 3 284.403 3.018 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+](C)CCCN2CCCC2)c1 ZINC000337271620 376182497 /nfs/dbraw/zinc/18/24/97/376182497.db2.gz NVWIQRURVYGXKM-MRXNPFEDSA-N 1 3 260.425 3.474 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+](C)CCCN2CCCC2)c1 ZINC000337271620 376182505 /nfs/dbraw/zinc/18/25/05/376182505.db2.gz NVWIQRURVYGXKM-MRXNPFEDSA-N 1 3 260.425 3.474 20 0 CGADHO CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000337272577 376184436 /nfs/dbraw/zinc/18/44/36/376184436.db2.gz CFNACMXGAHDZEP-BZUAXINKSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337272577 376184440 /nfs/dbraw/zinc/18/44/40/376184440.db2.gz CFNACMXGAHDZEP-BZUAXINKSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272577 376184443 /nfs/dbraw/zinc/18/44/43/376184443.db2.gz CFNACMXGAHDZEP-BZUAXINKSA-N 1 3 282.472 3.043 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694917 376123480 /nfs/dbraw/zinc/12/34/80/376123480.db2.gz COZUOCDEAVBIBD-WBVHZDCISA-N 1 3 262.441 3.006 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694917 376123484 /nfs/dbraw/zinc/12/34/84/376123484.db2.gz COZUOCDEAVBIBD-WBVHZDCISA-N 1 3 262.441 3.006 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222020691 376227833 /nfs/dbraw/zinc/22/78/33/376227833.db2.gz LMXTVDBJPMOCJS-JQHSSLGASA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222020691 376227836 /nfs/dbraw/zinc/22/78/36/376227836.db2.gz LMXTVDBJPMOCJS-JQHSSLGASA-N 1 3 272.436 3.142 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCCNC1 ZINC000226439018 376359911 /nfs/dbraw/zinc/35/99/11/376359911.db2.gz VEJLUVVVZAJKPJ-QZTJIDSGSA-N 1 3 274.452 3.329 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCCNC1 ZINC000226439018 376359914 /nfs/dbraw/zinc/35/99/14/376359914.db2.gz VEJLUVVVZAJKPJ-QZTJIDSGSA-N 1 3 274.452 3.329 20 0 CGADHO COc1ccc([C@H](C)NCC2(C)CC[NH+](C)CC2)c(F)c1 ZINC000227499492 376395078 /nfs/dbraw/zinc/39/50/78/376395078.db2.gz DMXABPYCOMAVGX-ZDUSSCGKSA-N 1 3 294.414 3.217 20 0 CGADHO CC(C)[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC1 ZINC000542488304 376550438 /nfs/dbraw/zinc/55/04/38/376550438.db2.gz HMCVELMKZPRWIR-GOEBONIOSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543394834 376634409 /nfs/dbraw/zinc/63/44/09/376634409.db2.gz OJLSGVJNDOHTKL-BPQIPLTHSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543394834 376634416 /nfs/dbraw/zinc/63/44/16/376634416.db2.gz OJLSGVJNDOHTKL-BPQIPLTHSA-N 1 3 278.484 3.476 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000235469166 376641049 /nfs/dbraw/zinc/64/10/49/376641049.db2.gz BKYNULORSDDYQH-USXIJHARSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000235676548 376649416 /nfs/dbraw/zinc/64/94/16/376649416.db2.gz FPEGZKSGYAWMAW-JKSUJKDBSA-N 1 3 287.451 3.466 20 0 CGADHO COc1cc(CNCc2ccc(C[NH+](C)C)cc2)ccc1C ZINC000237311993 376736985 /nfs/dbraw/zinc/73/69/85/376736985.db2.gz XRGSMXWFGPINPR-UHFFFAOYSA-N 1 3 298.430 3.355 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000152966352 542110222 /nfs/dbraw/zinc/11/02/22/542110222.db2.gz ZAHWJZKUKKKPGP-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000152966352 542110226 /nfs/dbraw/zinc/11/02/26/542110226.db2.gz ZAHWJZKUKKKPGP-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2sccc21 ZINC000245391204 376804537 /nfs/dbraw/zinc/80/45/37/376804537.db2.gz PBZITTRBJPIWSN-RJZRQDKASA-N 1 3 278.465 3.444 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2sccc21 ZINC000245391204 376804544 /nfs/dbraw/zinc/80/45/44/376804544.db2.gz PBZITTRBJPIWSN-RJZRQDKASA-N 1 3 278.465 3.444 20 0 CGADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)o1 ZINC000245786069 376908208 /nfs/dbraw/zinc/90/82/08/376908208.db2.gz VFLHHPMNNVMBJQ-CZUORRHYSA-N 1 3 264.413 3.004 20 0 CGADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)o1 ZINC000245786069 376908212 /nfs/dbraw/zinc/90/82/12/376908212.db2.gz VFLHHPMNNVMBJQ-CZUORRHYSA-N 1 3 264.413 3.004 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084975 376921687 /nfs/dbraw/zinc/92/16/87/376921687.db2.gz UFYZOMZNLTWGPN-UXLLHSPISA-N 1 3 264.457 3.370 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000557084975 376921689 /nfs/dbraw/zinc/92/16/89/376921689.db2.gz UFYZOMZNLTWGPN-UXLLHSPISA-N 1 3 264.457 3.370 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C23CCCC3)C1 ZINC000245935660 376938208 /nfs/dbraw/zinc/93/82/08/376938208.db2.gz TXPILVMUFXIMHP-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000245951242 376942810 /nfs/dbraw/zinc/94/28/10/376942810.db2.gz CBEMGQCTRLMUGO-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000245951242 376942814 /nfs/dbraw/zinc/94/28/14/376942814.db2.gz CBEMGQCTRLMUGO-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000245951242 376942820 /nfs/dbraw/zinc/94/28/20/376942820.db2.gz CBEMGQCTRLMUGO-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306422 377008523 /nfs/dbraw/zinc/00/85/23/377008523.db2.gz DLVIPVJULYSJBT-CVEARBPZSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306422 377008527 /nfs/dbraw/zinc/00/85/27/377008527.db2.gz DLVIPVJULYSJBT-CVEARBPZSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306422 377008531 /nfs/dbraw/zinc/00/85/31/377008531.db2.gz DLVIPVJULYSJBT-CVEARBPZSA-N 1 3 296.499 3.290 20 0 CGADHO COCC1(CC[NH2+]C2CCN(C(C)(C)C)CC2)CCC1 ZINC000340442376 377060332 /nfs/dbraw/zinc/06/03/32/377060332.db2.gz ZGTVBLIALFIBBT-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000340491765 377096376 /nfs/dbraw/zinc/09/63/76/377096376.db2.gz QBYVPLHDXZCOIY-JCGIZDLHSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000340491765 377096388 /nfs/dbraw/zinc/09/63/88/377096388.db2.gz QBYVPLHDXZCOIY-JCGIZDLHSA-N 1 3 294.483 3.044 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000247219065 377179539 /nfs/dbraw/zinc/17/95/39/377179539.db2.gz XLMTXFBPICHQCT-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249095105 377461174 /nfs/dbraw/zinc/46/11/74/377461174.db2.gz FNFTVTDFGIBAIV-WMLDXEAASA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249095105 377461180 /nfs/dbraw/zinc/46/11/80/377461180.db2.gz FNFTVTDFGIBAIV-WMLDXEAASA-N 1 3 260.425 3.164 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000249094467 377461196 /nfs/dbraw/zinc/46/11/96/377461196.db2.gz VFVOACUJGOYXCK-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249194718 377476642 /nfs/dbraw/zinc/47/66/42/377476642.db2.gz QEDCEWSAYTUCHE-HZPDHXFCSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249194718 377476649 /nfs/dbraw/zinc/47/66/49/377476649.db2.gz QEDCEWSAYTUCHE-HZPDHXFCSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249194718 377476658 /nfs/dbraw/zinc/47/66/58/377476658.db2.gz QEDCEWSAYTUCHE-HZPDHXFCSA-N 1 3 292.442 3.467 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385643 377497529 /nfs/dbraw/zinc/49/75/29/377497529.db2.gz ZZANQGZMDPWTOW-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385643 377497542 /nfs/dbraw/zinc/49/75/42/377497542.db2.gz ZZANQGZMDPWTOW-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385643 377497552 /nfs/dbraw/zinc/49/75/52/377497552.db2.gz ZZANQGZMDPWTOW-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166482064 542175225 /nfs/dbraw/zinc/17/52/25/542175225.db2.gz DMWOGQURYHCRNT-QZTJIDSGSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166482064 542175230 /nfs/dbraw/zinc/17/52/30/542175230.db2.gz DMWOGQURYHCRNT-QZTJIDSGSA-N 1 3 286.463 3.489 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2ccsc2Cl)C1 ZINC000312750716 249082494 /nfs/dbraw/zinc/08/24/94/249082494.db2.gz VXVSIFXOMGSUBY-ONGXEEELSA-N 1 3 258.818 3.009 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905410 249127219 /nfs/dbraw/zinc/12/72/19/249127219.db2.gz IIMIEDKDSHIJCT-HOCLYGCPSA-N 1 3 290.476 3.418 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905410 249127221 /nfs/dbraw/zinc/12/72/21/249127221.db2.gz IIMIEDKDSHIJCT-HOCLYGCPSA-N 1 3 290.476 3.418 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422906818 249127669 /nfs/dbraw/zinc/12/76/69/249127669.db2.gz VUMSSLTZHJXJCY-RDJZCZTQSA-N 1 3 272.436 3.134 20 0 CGADHO Cc1cc(Br)ccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414936913 249124406 /nfs/dbraw/zinc/12/44/06/249124406.db2.gz ZNKSCSKLDNTRIX-KGLIPLIRSA-N 1 3 297.240 3.117 20 0 CGADHO CCCC1CCC(C[N@@H+]2CC[C@@H](CNC)C2)CC1 ZINC000469989516 249165073 /nfs/dbraw/zinc/16/50/73/249165073.db2.gz GAALMVWTDPXKSF-GPANFISMSA-N 1 3 252.446 3.134 20 0 CGADHO CCCC1CCC(C[N@H+]2CC[C@@H](CNC)C2)CC1 ZINC000469989516 249165075 /nfs/dbraw/zinc/16/50/75/249165075.db2.gz GAALMVWTDPXKSF-GPANFISMSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(OC2CCCC2)c1 ZINC000516450339 249233865 /nfs/dbraw/zinc/23/38/65/249233865.db2.gz CGTNMHRAMWHGJQ-UONOGXRCSA-N 1 3 276.424 3.223 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000252891497 377669528 /nfs/dbraw/zinc/66/95/28/377669528.db2.gz KUIBXQLLSNGQBK-WMLDXEAASA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000252891497 377669536 /nfs/dbraw/zinc/66/95/36/377669536.db2.gz KUIBXQLLSNGQBK-WMLDXEAASA-N 1 3 274.452 3.414 20 0 CGADHO Cc1ncncc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000574822564 377714210 /nfs/dbraw/zinc/71/42/10/377714210.db2.gz KTLCNBQRGIXOOO-HUUCEWRRSA-N 1 3 290.455 3.090 20 0 CGADHO Cc1ncncc1[C@@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000574822564 377714221 /nfs/dbraw/zinc/71/42/21/377714221.db2.gz KTLCNBQRGIXOOO-HUUCEWRRSA-N 1 3 290.455 3.090 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000575195752 377761628 /nfs/dbraw/zinc/76/16/28/377761628.db2.gz UIBZJZHGZSYHNR-OLZOCXBDSA-N 1 3 296.817 3.370 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261694594 377840092 /nfs/dbraw/zinc/84/00/92/377840092.db2.gz NPCHEAZSTXRRET-DZGBDDFRSA-N 1 3 296.361 3.018 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261583193 377824163 /nfs/dbraw/zinc/82/41/63/377824163.db2.gz RRIVFXBALDBCNH-UTLUCORTSA-N 1 3 260.303 3.092 20 0 CGADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261641224 377831011 /nfs/dbraw/zinc/83/10/11/377831011.db2.gz ABAZTNVOHRYMGR-BHIYHBOVSA-N 1 3 297.446 3.221 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)CN2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261904894 377865720 /nfs/dbraw/zinc/86/57/20/377865720.db2.gz WTOSGEFEAQRCOI-JLSDUUJJSA-N 1 3 288.435 3.078 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000261992540 377875645 /nfs/dbraw/zinc/87/56/45/377875645.db2.gz SOMFXAIBTRNGPV-AWEZNQCLSA-N 1 3 288.435 3.035 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)CN2C[C@H]2CCC[NH2+]C2)c1 ZINC000262028030 377880247 /nfs/dbraw/zinc/88/02/47/377880247.db2.gz WURSENOWTXAZIU-VKJFTORMSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@H]2CCCNC2)c1 ZINC000262028030 377880251 /nfs/dbraw/zinc/88/02/51/377880251.db2.gz WURSENOWTXAZIU-VKJFTORMSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@H]2CCCNC2)c1 ZINC000262028030 377880254 /nfs/dbraw/zinc/88/02/54/377880254.db2.gz WURSENOWTXAZIU-VKJFTORMSA-N 1 3 288.435 3.078 20 0 CGADHO COc1ccc2cc(CN(C)[C@@H]3CCC[NH2+]CC3)ccc2c1 ZINC000262489767 377898850 /nfs/dbraw/zinc/89/88/50/377898850.db2.gz KVUHNALEUOEFJC-GOSISDBHSA-N 1 3 298.430 3.422 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422796997 295256177 /nfs/dbraw/zinc/25/61/77/295256177.db2.gz KVJLSPHGWVEMRS-LJIZCISZSA-N 1 3 250.430 3.062 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000578206350 378047321 /nfs/dbraw/zinc/04/73/21/378047321.db2.gz PSPRMZKKKRPFAP-KLHDSHLOSA-N 1 3 258.409 3.101 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578206350 378047328 /nfs/dbraw/zinc/04/73/28/378047328.db2.gz PSPRMZKKKRPFAP-KLHDSHLOSA-N 1 3 258.409 3.101 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000580015710 378216834 /nfs/dbraw/zinc/21/68/34/378216834.db2.gz XSQYBFXEVPSOTE-CGTJXYLNSA-N 1 3 276.468 3.397 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000580015710 378216837 /nfs/dbraw/zinc/21/68/37/378216837.db2.gz XSQYBFXEVPSOTE-CGTJXYLNSA-N 1 3 276.468 3.397 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000580892534 378266488 /nfs/dbraw/zinc/26/64/88/378266488.db2.gz HHBHFZZNIRXKEF-UHFFFAOYSA-N 1 3 276.330 3.373 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269952865 378287426 /nfs/dbraw/zinc/28/74/26/378287426.db2.gz JRBBCTHWIGTMSZ-HOTGVXAUSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269952865 378287430 /nfs/dbraw/zinc/28/74/30/378287430.db2.gz JRBBCTHWIGTMSZ-HOTGVXAUSA-N 1 3 297.446 3.235 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccnc2ccccc12 ZINC000584080865 378373335 /nfs/dbraw/zinc/37/33/35/378373335.db2.gz XPIBNQZDZZGMNN-UHFFFAOYSA-N 1 3 285.435 3.399 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213294 378483623 /nfs/dbraw/zinc/48/36/23/378483623.db2.gz VRRUUUIJCFIFJS-HNAYVOBHSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213294 378483625 /nfs/dbraw/zinc/48/36/25/378483625.db2.gz VRRUUUIJCFIFJS-HNAYVOBHSA-N 1 3 297.446 3.397 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000346688834 378677348 /nfs/dbraw/zinc/67/73/48/378677348.db2.gz OYWLZGRMNYIEQZ-UHFFFAOYSA-N 1 3 299.393 3.058 20 0 CGADHO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346825175 378693066 /nfs/dbraw/zinc/69/30/66/378693066.db2.gz AURMRIDESFZOTM-DOTOQJQBSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346825175 378693072 /nfs/dbraw/zinc/69/30/72/378693072.db2.gz AURMRIDESFZOTM-DOTOQJQBSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@H](C)N(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346825175 378693075 /nfs/dbraw/zinc/69/30/75/378693075.db2.gz AURMRIDESFZOTM-DOTOQJQBSA-N 1 3 260.425 3.287 20 0 CGADHO Nc1c(F)cccc1CNCCCCC[NH+]1CCCCC1 ZINC000638527896 378827638 /nfs/dbraw/zinc/82/76/38/378827638.db2.gz JXIIZMUCWYHKHW-UHFFFAOYSA-N 1 3 293.430 3.154 20 0 CGADHO CC(C)O[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000638707707 378882689 /nfs/dbraw/zinc/88/26/89/378882689.db2.gz KLUFSUVVIDZUEQ-KBAYOESNSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)O[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000638707707 378882693 /nfs/dbraw/zinc/88/26/93/378882693.db2.gz KLUFSUVVIDZUEQ-KBAYOESNSA-N 1 3 290.451 3.225 20 0 CGADHO CCO[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000868 218087659 /nfs/dbraw/zinc/08/76/59/218087659.db2.gz ZQPDVCOULCLAOH-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCNC2)C12CCCCC2 ZINC000347000868 218087661 /nfs/dbraw/zinc/08/76/61/218087661.db2.gz ZQPDVCOULCLAOH-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCNC2)C12CCCCC2 ZINC000347000868 218087662 /nfs/dbraw/zinc/08/76/62/218087662.db2.gz ZQPDVCOULCLAOH-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO CCCN(Cc1ccc(C)s1)C1CC[NH2+]CC1 ZINC000347175445 218145125 /nfs/dbraw/zinc/14/51/25/218145125.db2.gz PLJYGDSXRIUYKK-UHFFFAOYSA-N 1 3 252.427 3.021 20 0 CGADHO CCC[N@H+](Cc1ccc(C)s1)C1CCNCC1 ZINC000347175445 218145126 /nfs/dbraw/zinc/14/51/26/218145126.db2.gz PLJYGDSXRIUYKK-UHFFFAOYSA-N 1 3 252.427 3.021 20 0 CGADHO CCC[N@@H+](Cc1ccc(C)s1)C1CCNCC1 ZINC000347175445 218145127 /nfs/dbraw/zinc/14/51/27/218145127.db2.gz PLJYGDSXRIUYKK-UHFFFAOYSA-N 1 3 252.427 3.021 20 0 CGADHO CCC[C@@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000347180600 218146533 /nfs/dbraw/zinc/14/65/33/218146533.db2.gz UZOBCJQRJZHKOD-WBVHZDCISA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000347180600 218146535 /nfs/dbraw/zinc/14/65/35/218146535.db2.gz UZOBCJQRJZHKOD-WBVHZDCISA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347180600 218146537 /nfs/dbraw/zinc/14/65/37/218146537.db2.gz UZOBCJQRJZHKOD-WBVHZDCISA-N 1 3 260.425 3.241 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000347233537 218163979 /nfs/dbraw/zinc/16/39/79/218163979.db2.gz YYDSIJPQEJCVER-UHFFFAOYSA-N 1 3 298.377 3.110 20 0 CGADHO CCC[N@H+](Cc1ccc(C)c(F)c1)C1CCNCC1 ZINC000347187823 218149533 /nfs/dbraw/zinc/14/95/33/218149533.db2.gz COTFNYKCXVTPRB-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO CCC[N@@H+](Cc1ccc(C)c(F)c1)C1CCNCC1 ZINC000347187823 218149535 /nfs/dbraw/zinc/14/95/35/218149535.db2.gz COTFNYKCXVTPRB-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000639170778 379089513 /nfs/dbraw/zinc/08/95/13/379089513.db2.gz XVJXSHXSURAZRM-NUJGCVRESA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000639170778 379089526 /nfs/dbraw/zinc/08/95/26/379089526.db2.gz XVJXSHXSURAZRM-NUJGCVRESA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000639170778 379089531 /nfs/dbraw/zinc/08/95/31/379089531.db2.gz XVJXSHXSURAZRM-NUJGCVRESA-N 1 3 290.451 3.083 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)CC[NH+](C)C ZINC000349204176 379188554 /nfs/dbraw/zinc/18/85/54/379188554.db2.gz WAKKTSSWOHGYRM-YCPHGPKFSA-N 1 3 260.425 3.473 20 0 CGADHO Cc1ccccc1C[N@@H+](C)C1CCN(c2ccncc2)CC1 ZINC000372368103 379194472 /nfs/dbraw/zinc/19/44/72/379194472.db2.gz IQTYNQCOPUIPKY-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO Cc1ccccc1C[N@H+](C)C1CCN(c2ccncc2)CC1 ZINC000372368103 379194484 /nfs/dbraw/zinc/19/44/84/379194484.db2.gz IQTYNQCOPUIPKY-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510242 379442066 /nfs/dbraw/zinc/44/20/66/379442066.db2.gz ZHGLPJAOZIQORY-NVXWUHKLSA-N 1 3 289.467 3.311 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510242 379442072 /nfs/dbraw/zinc/44/20/72/379442072.db2.gz ZHGLPJAOZIQORY-NVXWUHKLSA-N 1 3 289.467 3.311 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000267197218 190310321 /nfs/dbraw/zinc/31/03/21/190310321.db2.gz FGFZSNXEAQFTGJ-AWEZNQCLSA-N 1 3 269.392 3.013 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000267197218 190310322 /nfs/dbraw/zinc/31/03/22/190310322.db2.gz FGFZSNXEAQFTGJ-AWEZNQCLSA-N 1 3 269.392 3.013 20 0 CGADHO c1cncc([C@H]([NH2+]CCCN2CCCCC2)C2CCC2)c1 ZINC000280316010 379675223 /nfs/dbraw/zinc/67/52/23/379675223.db2.gz OWTWRRCVGGSHAG-GOSISDBHSA-N 1 3 287.451 3.388 20 0 CGADHO C[N@H+](CC(C)(C)C)C1CCN(c2ccncc2)CC1 ZINC000377703749 379724950 /nfs/dbraw/zinc/72/49/50/379724950.db2.gz RMSRPUFQSNAVHW-UHFFFAOYSA-N 1 3 261.413 3.028 20 0 CGADHO C[N@@H+](CC(C)(C)C)C1CCN(c2ccncc2)CC1 ZINC000377703749 379724957 /nfs/dbraw/zinc/72/49/57/379724957.db2.gz RMSRPUFQSNAVHW-UHFFFAOYSA-N 1 3 261.413 3.028 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000280795790 379791062 /nfs/dbraw/zinc/79/10/62/379791062.db2.gz KADSILHLKRHGRK-FPCVCCKLSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000280795790 379791072 /nfs/dbraw/zinc/79/10/72/379791072.db2.gz KADSILHLKRHGRK-FPCVCCKLSA-N 1 3 288.410 3.288 20 0 CGADHO c1ccc2c(c1)cccc2CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352527173 379844712 /nfs/dbraw/zinc/84/47/12/379844712.db2.gz XKSMZNMZCYJSDC-IBGZPJMESA-N 1 3 280.415 3.415 20 0 CGADHO NCC[C@@H]1CCCC[N@@H+]1CCCCCOc1ccccc1 ZINC000352534018 379846816 /nfs/dbraw/zinc/84/68/16/379846816.db2.gz CHCHKKBQWGLEHS-KRWDZBQOSA-N 1 3 290.451 3.439 20 0 CGADHO NCC[C@@H]1CCCC[N@H+]1CCCCCOc1ccccc1 ZINC000352534018 379846823 /nfs/dbraw/zinc/84/68/23/379846823.db2.gz CHCHKKBQWGLEHS-KRWDZBQOSA-N 1 3 290.451 3.439 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1CCCCCOc1ccccc1 ZINC000352534018 379846830 /nfs/dbraw/zinc/84/68/30/379846830.db2.gz CHCHKKBQWGLEHS-KRWDZBQOSA-N 1 3 290.451 3.439 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCSc2ccc(F)cc2)C1 ZINC000571581168 322302679 /nfs/dbraw/zinc/30/26/79/322302679.db2.gz JKDJXRJPJLIWCY-KBPBESRZSA-N 1 3 282.428 3.167 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000408510547 380014228 /nfs/dbraw/zinc/01/42/28/380014228.db2.gz SIVIROZLUZENEK-CAOSSQGBSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc(C2CC(C[NH2+][C@H]3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000283391341 380060405 /nfs/dbraw/zinc/06/04/05/380060405.db2.gz PPNHZTSGBNJWHH-SOTJZCEJSA-N 1 3 284.447 3.397 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000410396072 380092445 /nfs/dbraw/zinc/09/24/45/380092445.db2.gz TXTMWMCDRDWJSH-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000410396072 380092451 /nfs/dbraw/zinc/09/24/51/380092451.db2.gz TXTMWMCDRDWJSH-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410396072 380092457 /nfs/dbraw/zinc/09/24/57/380092457.db2.gz TXTMWMCDRDWJSH-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000410396072 380092464 /nfs/dbraw/zinc/09/24/64/380092464.db2.gz TXTMWMCDRDWJSH-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CC(C)C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414189048 380199940 /nfs/dbraw/zinc/19/99/40/380199940.db2.gz QXQSNXZAQCJIJI-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189048 380199945 /nfs/dbraw/zinc/19/99/45/380199945.db2.gz QXQSNXZAQCJIJI-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(F)(F)F ZINC000414279018 380206950 /nfs/dbraw/zinc/20/69/50/380206950.db2.gz IPOLGQIMRYWMKO-NSHDSACASA-N 1 3 280.378 3.427 20 0 CGADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000643474711 380317167 /nfs/dbraw/zinc/31/71/67/380317167.db2.gz XEFJCZCEUKDJAH-ZFWWWQNUSA-N 1 3 298.377 3.471 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000643476561 380317671 /nfs/dbraw/zinc/31/76/71/380317671.db2.gz OLUZTODMBCYLCI-MKQDKFQKSA-N 1 3 273.424 3.080 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+][C@@H]2CCCNCC2)C2CC2)cc1 ZINC000643521952 380337307 /nfs/dbraw/zinc/33/73/07/380337307.db2.gz FTDPQFAKZQNUOW-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO CCc1ccc([C@H](CC)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643521440 380336222 /nfs/dbraw/zinc/33/62/22/380336222.db2.gz IDSPSMXMXFEBBX-IRXDYDNUSA-N 1 3 260.425 3.432 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1cccc(Br)c1 ZINC000643469270 380315270 /nfs/dbraw/zinc/31/52/70/380315270.db2.gz FSTJYJTUTYBJTH-VXGBXAGGSA-N 1 3 299.256 3.097 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1cccc(Br)c1 ZINC000643469270 380315280 /nfs/dbraw/zinc/31/52/80/380315280.db2.gz FSTJYJTUTYBJTH-VXGBXAGGSA-N 1 3 299.256 3.097 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2CN)cc2cccnc12 ZINC000414768272 380396876 /nfs/dbraw/zinc/39/68/76/380396876.db2.gz LOGWVPMHZPIJKM-SUMWQHHRSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2CN)cc2cccnc12 ZINC000414768272 380396882 /nfs/dbraw/zinc/39/68/82/380396882.db2.gz LOGWVPMHZPIJKM-SUMWQHHRSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643522144 380337906 /nfs/dbraw/zinc/33/79/06/380337906.db2.gz IVVHHBTXFGFHTA-IKGGRYGDSA-N 1 3 287.451 3.148 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643522146 380338113 /nfs/dbraw/zinc/33/81/13/380338113.db2.gz IVVHHBTXFGFHTA-ZACQAIPSSA-N 1 3 287.451 3.148 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000643522447 380339495 /nfs/dbraw/zinc/33/94/95/380339495.db2.gz NFVPYJFOCYZWGS-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000643524202 380340973 /nfs/dbraw/zinc/34/09/73/380340973.db2.gz VKCBXNRCALADNZ-MXASKKJJSA-N 1 3 276.399 3.321 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1csc(Cl)c1 ZINC000643534906 380351147 /nfs/dbraw/zinc/35/11/47/380351147.db2.gz FMVRMUNECBQNIN-ONGXEEELSA-N 1 3 270.829 3.194 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)CC2 ZINC000643545743 380358011 /nfs/dbraw/zinc/35/80/11/380358011.db2.gz BLAWORYTBGCJEN-NVXWUHKLSA-N 1 3 270.420 3.247 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643547984 380363365 /nfs/dbraw/zinc/36/33/65/380363365.db2.gz LLZAESTUGFOWDV-CBBWQLFWSA-N 1 3 250.430 3.075 20 0 CGADHO CCCOc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414809967 380422822 /nfs/dbraw/zinc/42/28/22/380422822.db2.gz UYDAFOYMSQGAII-WBVHZDCISA-N 1 3 276.424 3.083 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C[C@@H]1c1ccccc1 ZINC000414812604 380424743 /nfs/dbraw/zinc/42/47/43/380424743.db2.gz XNPSIBSLFFAVSN-OGCZYDBJSA-N 1 3 272.436 3.286 20 0 CGADHO Cc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000414814966 380426444 /nfs/dbraw/zinc/42/64/44/380426444.db2.gz WKJQKRJDGBNEJS-LBPRGKRZSA-N 1 3 260.406 3.366 20 0 CGADHO COc1ccc2cc(CN[C@@H](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000414855408 380457946 /nfs/dbraw/zinc/45/79/46/380457946.db2.gz NDAKFUXXVKJJQW-KSSFIOAISA-N 1 3 298.430 3.326 20 0 CGADHO [NH3+]C1(CNC[C@@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000414839067 380445355 /nfs/dbraw/zinc/44/53/55/380445355.db2.gz IRXLUZYIBNUIRR-HOTGVXAUSA-N 1 3 258.409 3.041 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CCNCC1 ZINC000414780789 380400270 /nfs/dbraw/zinc/40/02/70/380400270.db2.gz MAMOBMHLNCUVHQ-CQSZACIVSA-N 1 3 260.425 3.084 20 0 CGADHO Clc1ccccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789645 380406748 /nfs/dbraw/zinc/40/67/48/380406748.db2.gz YJSWMRGGIVTAAA-UONOGXRCSA-N 1 3 278.827 3.162 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000414793093 380408392 /nfs/dbraw/zinc/40/83/92/380408392.db2.gz JTRSHTCWWZHRHJ-MFKMUULPSA-N 1 3 273.207 3.210 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000414800040 380412914 /nfs/dbraw/zinc/41/29/14/380412914.db2.gz KNEMEKRXYBXXPY-CVEARBPZSA-N 1 3 278.465 3.027 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000414907928 380486562 /nfs/dbraw/zinc/48/65/62/380486562.db2.gz CAUGEZMFRZVFSN-ULQDDVLXSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414930198 380493787 /nfs/dbraw/zinc/49/37/87/380493787.db2.gz SPSCRGSKKRBTGV-UONOGXRCSA-N 1 3 286.341 3.373 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)CCN1 ZINC000414944864 380500591 /nfs/dbraw/zinc/50/05/91/380500591.db2.gz HLMSBQVJBSDTMA-VXGQWTEUSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414947949 380502239 /nfs/dbraw/zinc/50/22/39/380502239.db2.gz LOVIKGLWUPXNPY-UTUOFQBUSA-N 1 3 286.872 3.453 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414947949 380502243 /nfs/dbraw/zinc/50/22/43/380502243.db2.gz LOVIKGLWUPXNPY-UTUOFQBUSA-N 1 3 286.872 3.453 20 0 CGADHO CC[C@@H]([NH3+])CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414984230 380503915 /nfs/dbraw/zinc/50/39/15/380503915.db2.gz FZZGDTYTMSCBBX-GXFFZTMASA-N 1 3 274.330 3.136 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414858684 380459137 /nfs/dbraw/zinc/45/91/37/380459137.db2.gz KPLCSPSRIWSETK-HUUCEWRRSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414858684 380459142 /nfs/dbraw/zinc/45/91/42/380459142.db2.gz KPLCSPSRIWSETK-HUUCEWRRSA-N 1 3 266.816 3.175 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCc3ccccc3C2)CCCCCC1 ZINC000414857734 380459268 /nfs/dbraw/zinc/45/92/68/380459268.db2.gz FPTZFZAOOKVFLH-QGZVFWFLSA-N 1 3 272.436 3.185 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414878149 380472337 /nfs/dbraw/zinc/47/23/37/380472337.db2.gz NVCKKSGQXUORGG-NEPJUHHUSA-N 1 3 288.357 3.211 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(-c2cccc(F)c2)s1 ZINC000414880931 380472940 /nfs/dbraw/zinc/47/29/40/380472940.db2.gz RKILFJHZTDDELC-NSHDSACASA-N 1 3 278.396 3.239 20 0 CGADHO C[C@@H](C[NH3+])CNCc1cc(-c2ccccc2)cs1 ZINC000414884193 380474548 /nfs/dbraw/zinc/47/45/48/380474548.db2.gz VTQXVSMVIAGKLC-LBPRGKRZSA-N 1 3 260.406 3.100 20 0 CGADHO c1ccc(C[C@H]2CC[C@@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000414900342 380480518 /nfs/dbraw/zinc/48/05/18/380480518.db2.gz DETFFIJSRLAICH-KZNAEPCWSA-N 1 3 272.436 3.130 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@H](CO)CC2CCCCC2)CC1 ZINC000417359042 380607398 /nfs/dbraw/zinc/60/73/98/380607398.db2.gz GDMQDIQCWUHGQS-KRWDZBQOSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(OCCN(C)C)c1 ZINC000417371139 380613306 /nfs/dbraw/zinc/61/33/06/380613306.db2.gz VCNXQSBWUFZVJY-HOCLYGCPSA-N 1 3 288.435 3.078 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000356898356 380927267 /nfs/dbraw/zinc/92/72/67/380927267.db2.gz MYMJGYBYJCDTEZ-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO CCc1cccnc1[C@H](C)NCC1(C)CC[NH+](C)CC1 ZINC000356862484 380905066 /nfs/dbraw/zinc/90/50/66/380905066.db2.gz ZWUQGFSEWSQAFA-AWEZNQCLSA-N 1 3 275.440 3.027 20 0 CGADHO CC(C)c1cnc(CNC2CCC([NH+](C)C)CC2)s1 ZINC000421371506 380909349 /nfs/dbraw/zinc/90/93/49/380909349.db2.gz KRVXDYFETSCSTA-UHFFFAOYSA-N 1 3 281.469 3.229 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000356879438 380916370 /nfs/dbraw/zinc/91/63/70/380916370.db2.gz TVOTWHYWQSDQET-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H]1C[C@H](C[NH+]2CCC(N3CCCCC3)CC2)CCO1 ZINC000356914978 380936452 /nfs/dbraw/zinc/93/64/52/380936452.db2.gz IDHGOCNWWXXXSS-SJLPKXTDSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000358310788 381303105 /nfs/dbraw/zinc/30/31/05/381303105.db2.gz WZKNDLHBVMMBNV-AHCXZYCDSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000358310788 381303111 /nfs/dbraw/zinc/30/31/11/381303111.db2.gz WZKNDLHBVMMBNV-AHCXZYCDSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2c(c1)CNCC2 ZINC000211952673 542284697 /nfs/dbraw/zinc/28/46/97/542284697.db2.gz AKOAKUSNXLBGSU-KBPBESRZSA-N 1 3 258.409 3.095 20 0 CGADHO Fc1ccc2cc(C[NH2+]CCCN3CCCCC3)[nH]c2c1 ZINC000362922370 382149459 /nfs/dbraw/zinc/14/94/59/382149459.db2.gz MUZUVXYKXMAHHG-UHFFFAOYSA-N 1 3 289.398 3.273 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CS1 ZINC000365194142 382283857 /nfs/dbraw/zinc/28/38/57/382283857.db2.gz CDIHMSYVFLJZLA-BARDWOONSA-N 1 3 282.497 3.123 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000365194142 382283863 /nfs/dbraw/zinc/28/38/63/382283863.db2.gz CDIHMSYVFLJZLA-BARDWOONSA-N 1 3 282.497 3.123 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCC12CCOCC2 ZINC000367058816 382331537 /nfs/dbraw/zinc/33/15/37/382331537.db2.gz XZCLUPHNXCCRCY-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO CC[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@H]1N ZINC000251873168 542348749 /nfs/dbraw/zinc/34/87/49/542348749.db2.gz UPAKUWHGMUKPFF-KBRIMQKVSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC[C@H]1N ZINC000251873168 542348752 /nfs/dbraw/zinc/34/87/52/542348752.db2.gz UPAKUWHGMUKPFF-KBRIMQKVSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1CN([C@@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000251873168 542348754 /nfs/dbraw/zinc/34/87/54/542348754.db2.gz UPAKUWHGMUKPFF-KBRIMQKVSA-N 1 3 258.409 3.123 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417970 542349446 /nfs/dbraw/zinc/34/94/46/542349446.db2.gz TYQQYKCGJCYVPT-QZTJIDSGSA-N 1 3 272.436 3.267 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722587 542351260 /nfs/dbraw/zinc/35/12/60/542351260.db2.gz QZMCTNBWGRFUAL-DYVFJYSZSA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722587 542351263 /nfs/dbraw/zinc/35/12/63/542351263.db2.gz QZMCTNBWGRFUAL-DYVFJYSZSA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722587 542351267 /nfs/dbraw/zinc/35/12/67/542351267.db2.gz QZMCTNBWGRFUAL-DYVFJYSZSA-N 1 3 292.854 3.127 20 0 CGADHO CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425930515 533057146 /nfs/dbraw/zinc/05/71/46/533057146.db2.gz IMGORZKOPKAGCK-CHWSQXEVSA-N 1 3 266.454 3.257 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000353816849 220347169 /nfs/dbraw/zinc/34/71/69/220347169.db2.gz MVSQWMHKOFPUPO-BHIYHBOVSA-N 1 3 297.446 3.439 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000353816849 220347171 /nfs/dbraw/zinc/34/71/71/220347171.db2.gz MVSQWMHKOFPUPO-BHIYHBOVSA-N 1 3 297.446 3.439 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000479475231 285264535 /nfs/dbraw/zinc/26/45/35/285264535.db2.gz FXAPABGIHSGZCX-BBWFWOEESA-N 1 3 264.457 3.300 20 0 CGADHO C[C@H](CCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348278081 542517280 /nfs/dbraw/zinc/51/72/80/542517280.db2.gz SXAFPFYSQJGINT-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348278081 542517284 /nfs/dbraw/zinc/51/72/84/542517284.db2.gz SXAFPFYSQJGINT-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000348278081 542517286 /nfs/dbraw/zinc/51/72/86/542517286.db2.gz SXAFPFYSQJGINT-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000348278081 542517290 /nfs/dbraw/zinc/51/72/90/542517290.db2.gz SXAFPFYSQJGINT-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000437052595 533547119 /nfs/dbraw/zinc/54/71/19/533547119.db2.gz WFODLAULLKRAGR-INMHGKMJSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)c2ccccc12 ZINC000094692769 533567977 /nfs/dbraw/zinc/56/79/77/533567977.db2.gz QBXFPKHERLDTBX-DYVFJYSZSA-N 1 3 284.403 3.018 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCNC1CC1 ZINC000423557612 533652306 /nfs/dbraw/zinc/65/23/06/533652306.db2.gz NHWJYAMGBUAJCR-LBPRGKRZSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)NCCC[NH2+]C1CC1 ZINC000423557612 533652313 /nfs/dbraw/zinc/65/23/13/533652313.db2.gz NHWJYAMGBUAJCR-LBPRGKRZSA-N 1 3 282.378 3.018 20 0 CGADHO CC(C)(Cc1ccc(Cl)cc1Cl)[NH2+]CCCN ZINC000414716509 542638249 /nfs/dbraw/zinc/63/82/49/542638249.db2.gz YDVQAYOCRGNEDQ-UHFFFAOYSA-N 1 3 275.223 3.253 20 0 CGADHO CC(C)(Cc1ccc(Cl)cc1Cl)NCCC[NH3+] ZINC000414716509 542638251 /nfs/dbraw/zinc/63/82/51/542638251.db2.gz YDVQAYOCRGNEDQ-UHFFFAOYSA-N 1 3 275.223 3.253 20 0 CGADHO C[C@H]([NH3+])CCNCc1cccc(-c2ccccc2)c1 ZINC000414828152 542639240 /nfs/dbraw/zinc/63/92/40/542639240.db2.gz ZCHGQIUKFBXEOW-AWEZNQCLSA-N 1 3 254.377 3.181 20 0 CGADHO N[C@@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)C1CC1 ZINC000414902449 542639482 /nfs/dbraw/zinc/63/94/82/542639482.db2.gz YHEPGQSIFVGDHQ-SFHVURJKSA-N 1 3 266.388 3.181 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414975021 542642026 /nfs/dbraw/zinc/64/20/26/542642026.db2.gz FPILHQALYLCZFC-QGZVFWFLSA-N 1 3 254.377 3.181 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000070092010 392177003 /nfs/dbraw/zinc/17/70/03/392177003.db2.gz KWEGKRKOEYKMKT-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000070092010 392177006 /nfs/dbraw/zinc/17/70/06/392177006.db2.gz KWEGKRKOEYKMKT-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000361763655 392316668 /nfs/dbraw/zinc/31/66/68/392316668.db2.gz ISJLISRUANYDNM-UNEWFSDZSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000361763655 392316669 /nfs/dbraw/zinc/31/66/69/392316669.db2.gz ISJLISRUANYDNM-UNEWFSDZSA-N 1 3 276.424 3.219 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1cncc(F)c1 ZINC000293056773 392518233 /nfs/dbraw/zinc/51/82/33/392518233.db2.gz RZHUCJPZTGJMRB-AWEZNQCLSA-N 1 3 279.403 3.137 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000163224814 392602750 /nfs/dbraw/zinc/60/27/50/392602750.db2.gz GUTMZMCBGMCUIY-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224814 392602754 /nfs/dbraw/zinc/60/27/54/392602754.db2.gz GUTMZMCBGMCUIY-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224814 392602756 /nfs/dbraw/zinc/60/27/56/392602756.db2.gz GUTMZMCBGMCUIY-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150100 392546722 /nfs/dbraw/zinc/54/67/22/392546722.db2.gz KKBAOVDVSGDLKW-DJSGYFEHSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150100 392546729 /nfs/dbraw/zinc/54/67/29/392546729.db2.gz KKBAOVDVSGDLKW-DJSGYFEHSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H](Cc1ccccc1)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479670 392734639 /nfs/dbraw/zinc/73/46/39/392734639.db2.gz PCCXVVPGZIGKLL-NEWSRXKRSA-N 1 3 286.463 3.329 20 0 CGADHO c1cc2cnccc2c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479312 392735383 /nfs/dbraw/zinc/73/53/83/392735383.db2.gz BXJBYRTYZAOTJK-IEBWSBKVSA-N 1 3 295.430 3.199 20 0 CGADHO CCCOc1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482870 392736288 /nfs/dbraw/zinc/73/62/88/392736288.db2.gz FBPUVSAKECLVET-UHFFFAOYSA-N 1 3 288.435 3.192 20 0 CGADHO CCCOc1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482870 392736295 /nfs/dbraw/zinc/73/62/95/392736295.db2.gz FBPUVSAKECLVET-UHFFFAOYSA-N 1 3 288.435 3.192 20 0 CGADHO C[C@H](C[N@H+](C1CC1)C1CCNCC1)c1ccc(F)cc1 ZINC000647482539 392736661 /nfs/dbraw/zinc/73/66/61/392736661.db2.gz NJWJWKYYACIYJR-CYBMUJFWSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](C[N@@H+](C1CC1)C1CCNCC1)c1ccc(F)cc1 ZINC000647482539 392736665 /nfs/dbraw/zinc/73/66/65/392736665.db2.gz NJWJWKYYACIYJR-CYBMUJFWSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN(C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647482539 392736669 /nfs/dbraw/zinc/73/66/69/392736669.db2.gz NJWJWKYYACIYJR-CYBMUJFWSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1CN(Cc2cc(C)c3ncccc3c2)CC[C@@H]1[NH3+] ZINC000647497310 392740797 /nfs/dbraw/zinc/74/07/97/392740797.db2.gz CKKFORRXLYIRHP-WBVHZDCISA-N 1 3 283.419 3.102 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CCC(C)([NH3+])CC2)C1 ZINC000647530848 392751338 /nfs/dbraw/zinc/75/13/38/392751338.db2.gz KTJXSPAZNIYISP-IRXDYDNUSA-N 1 3 272.436 3.310 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000647530848 392751343 /nfs/dbraw/zinc/75/13/43/392751343.db2.gz KTJXSPAZNIYISP-IRXDYDNUSA-N 1 3 272.436 3.310 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H](N2CCC(C)([NH3+])CC2)C1 ZINC000647530847 392752244 /nfs/dbraw/zinc/75/22/44/392752244.db2.gz KTJXSPAZNIYISP-IAGOWNOFSA-N 1 3 272.436 3.310 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000647530847 392752249 /nfs/dbraw/zinc/75/22/49/392752249.db2.gz KTJXSPAZNIYISP-IAGOWNOFSA-N 1 3 272.436 3.310 20 0 CGADHO CC[C@H]1CN(CCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647937135 392839828 /nfs/dbraw/zinc/83/98/28/392839828.db2.gz RHHDLCKPPXOYOD-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO CCN(CC[C@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779439 392791755 /nfs/dbraw/zinc/79/17/55/392791755.db2.gz WQGKOJWUXWAGPR-GOEBONIOSA-N 1 3 280.481 3.485 20 0 CGADHO CCN(CC[C@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779439 392791761 /nfs/dbraw/zinc/79/17/61/392791761.db2.gz WQGKOJWUXWAGPR-GOEBONIOSA-N 1 3 280.481 3.485 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2CCC(F)CC2)c2ccccc21 ZINC000647803743 392805027 /nfs/dbraw/zinc/80/50/27/392805027.db2.gz AKGMMONELOEHBR-DCNYZXSGSA-N 1 3 262.372 3.249 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCN1CCCC1 ZINC000510664968 392808133 /nfs/dbraw/zinc/80/81/33/392808133.db2.gz BDYSNZFEGLDEAA-AWEZNQCLSA-N 1 3 296.405 3.361 20 0 CGADHO C(CC1CC[NH2+]CC1)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000647889403 392827065 /nfs/dbraw/zinc/82/70/65/392827065.db2.gz NIOBKUWNPXBZRT-HZPDHXFCSA-N 1 3 282.497 3.126 20 0 CGADHO CC[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@H]1N ZINC000381011754 392905809 /nfs/dbraw/zinc/90/58/09/392905809.db2.gz MBQIWYOSDHFNNQ-HUUCEWRRSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1N ZINC000381011754 392905813 /nfs/dbraw/zinc/90/58/13/392905813.db2.gz MBQIWYOSDHFNNQ-HUUCEWRRSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1CN(CC2CCC(C)(C)CC2)CC[C@H]1[NH3+] ZINC000381011754 392905815 /nfs/dbraw/zinc/90/58/15/392905815.db2.gz MBQIWYOSDHFNNQ-HUUCEWRRSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000513677849 542732963 /nfs/dbraw/zinc/73/29/63/542732963.db2.gz CXDSPBORBVHSGW-ROUUACIJSA-N 1 3 287.451 3.322 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[NH2+]CC1=CCN(C)CC1 ZINC000401493073 392951175 /nfs/dbraw/zinc/95/11/75/392951175.db2.gz ZQVHQUFSFWMRHN-CVEARBPZSA-N 1 3 250.430 3.054 20 0 CGADHO CN1Cc2ccccc2[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000535266243 542750655 /nfs/dbraw/zinc/75/06/55/542750655.db2.gz QSIRVXQBIQAEDV-IBGZPJMESA-N 1 3 289.382 3.255 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000410387878 392976108 /nfs/dbraw/zinc/97/61/08/392976108.db2.gz OMAGFRQSCMCCOJ-IAGOWNOFSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000410387878 392976113 /nfs/dbraw/zinc/97/61/13/392976113.db2.gz OMAGFRQSCMCCOJ-IAGOWNOFSA-N 1 3 266.473 3.476 20 0 CGADHO Cc1cc(C)cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040586 393108658 /nfs/dbraw/zinc/10/86/58/393108658.db2.gz KGQQIHGDVZIGAT-ZWKOTPCHSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1cc(F)c(CN[C@H](C)CCC[NH3+])c(Cl)c1 ZINC000415028996 393102943 /nfs/dbraw/zinc/10/29/43/393102943.db2.gz ZRDAXNJTZWLLHA-SNVBAGLBSA-N 1 3 258.768 3.005 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2cccc(Cl)c2Cl)C1 ZINC000415029536 393103157 /nfs/dbraw/zinc/10/31/57/393103157.db2.gz DSVKSOYIUGJQNB-KOLCDFICSA-N 1 3 273.207 3.210 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414972162 393072689 /nfs/dbraw/zinc/07/26/89/393072689.db2.gz ACLVNLSRXOIAOX-ZDUSSCGKSA-N 1 3 260.406 3.242 20 0 CGADHO COc1ccccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415056315 393118027 /nfs/dbraw/zinc/11/80/27/393118027.db2.gz PXBJDLYOLKSSRO-QGZVFWFLSA-N 1 3 284.403 3.265 20 0 CGADHO C[C@@H](C[NH2+]CCCNC1CC1)c1cccc(Cl)c1 ZINC000415071976 393129449 /nfs/dbraw/zinc/12/94/49/393129449.db2.gz UYBHMQRIRAIRGP-LBPRGKRZSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@@H](CNCCC[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000415071976 393129456 /nfs/dbraw/zinc/12/94/56/393129456.db2.gz UYBHMQRIRAIRGP-LBPRGKRZSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC(C)(C)c1ccccc1F ZINC000415074321 393130415 /nfs/dbraw/zinc/13/04/15/393130415.db2.gz CHSCIPZSRWCVAD-KBPBESRZSA-N 1 3 278.415 3.224 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000415088419 393140239 /nfs/dbraw/zinc/14/02/39/393140239.db2.gz XKIHJXMOULZPAO-FHWLQOOXSA-N 1 3 286.463 3.377 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000415107294 393147237 /nfs/dbraw/zinc/14/72/37/393147237.db2.gz NPQNBYFTPNMTFH-MRXNPFEDSA-N 1 3 292.467 3.326 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@H](N)CC(C)C)c(C)s1 ZINC000415126713 393152660 /nfs/dbraw/zinc/15/26/60/393152660.db2.gz UYODWUJLKHEDHO-WCQYABFASA-N 1 3 254.443 3.389 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000469847253 393220047 /nfs/dbraw/zinc/22/00/47/393220047.db2.gz UYUGETGZIYBBNY-IHWYPQMZSA-N 1 3 294.389 3.300 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1nccc2ccccc21 ZINC000353423022 393220971 /nfs/dbraw/zinc/22/09/71/393220971.db2.gz CKXWNJCFKVJCCJ-LSDHHAIUSA-N 1 3 295.430 3.370 20 0 CGADHO Cc1ccncc1[C@@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000356259959 393398627 /nfs/dbraw/zinc/39/86/27/393398627.db2.gz AXSMUHPHBGBJLD-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO CCc1cccc(F)c1CNCCC1CC[NH+](C)CC1 ZINC000474712671 393342915 /nfs/dbraw/zinc/34/29/15/393342915.db2.gz OAGOSLXEAGFESI-UHFFFAOYSA-N 1 3 278.415 3.210 20 0 CGADHO c1c2c(oc1-c1ccccc1)CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420303840 393457399 /nfs/dbraw/zinc/45/73/99/393457399.db2.gz NQRZLSVJIJCOJL-HNNXBMFYSA-N 1 3 296.414 3.304 20 0 CGADHO Cc1nc(C)c([C@@H](C)N(C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420311426 393458923 /nfs/dbraw/zinc/45/89/23/393458923.db2.gz HBVLPPMTQVBABH-OCCSQVGLSA-N 1 3 281.469 3.142 20 0 CGADHO Clc1ccc2c(c1)CN(CCC1CC[NH2+]CC1)CC2 ZINC000420373744 393477869 /nfs/dbraw/zinc/47/78/69/393477869.db2.gz MYQBZBHKDWLOKJ-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488429734 393509540 /nfs/dbraw/zinc/50/95/40/393509540.db2.gz DCWHYOZZOATCFB-GBJTYRQASA-N 1 3 284.513 3.369 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1C1CC1 ZINC000666743436 542812292 /nfs/dbraw/zinc/81/22/92/542812292.db2.gz ILHJLCTXPBIHIA-WMLDXEAASA-N 1 3 258.409 3.171 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC[C@@H]3C)CC2)C1 ZINC000432418966 393611850 /nfs/dbraw/zinc/61/18/50/393611850.db2.gz XUICHZUQIVAOTF-MXSMSXNCSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCNC2CC(OC(C)(C)C)C2)C1 ZINC000490168557 393634194 /nfs/dbraw/zinc/63/41/94/393634194.db2.gz XHKRXPQDHDUEDG-JUVOFCAFSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490168557 393634199 /nfs/dbraw/zinc/63/41/99/393634199.db2.gz XHKRXPQDHDUEDG-JUVOFCAFSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc(C)c1F ZINC000424370954 393682334 /nfs/dbraw/zinc/68/23/34/393682334.db2.gz FJAAJOZIAIFGSA-BPLDGKMQSA-N 1 3 264.388 3.363 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](c2ccccc2)C1 ZINC000433079238 393682965 /nfs/dbraw/zinc/68/29/65/393682965.db2.gz YUPOBIWXRWWJQM-MSOLQXFVSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](c2ccccc2)C1 ZINC000433079238 393682971 /nfs/dbraw/zinc/68/29/71/393682971.db2.gz YUPOBIWXRWWJQM-MSOLQXFVSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccccc1O[C@H]1CCCC[C@@H]1NC1CC[NH2+]CC1 ZINC000422991320 393647500 /nfs/dbraw/zinc/64/75/00/393647500.db2.gz AXMUDZCTBIYCDS-WMZOPIPTSA-N 1 3 288.435 3.027 20 0 CGADHO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000422991320 393647505 /nfs/dbraw/zinc/64/75/05/393647505.db2.gz AXMUDZCTBIYCDS-WMZOPIPTSA-N 1 3 288.435 3.027 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000423047647 393649364 /nfs/dbraw/zinc/64/93/64/393649364.db2.gz HKNKMFYPBXMFMV-HOTGVXAUSA-N 1 3 250.430 3.374 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CCO1 ZINC000423046628 393649681 /nfs/dbraw/zinc/64/96/81/393649681.db2.gz UHRQJKVZMRRZCS-HZMVEIRTSA-N 1 3 282.472 3.077 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC(F)(F)C2)c2ccccc21 ZINC000423106325 393651780 /nfs/dbraw/zinc/65/17/80/393651780.db2.gz ZQBKKZBMZFXYBW-ZLKJLUDKSA-N 1 3 266.335 3.156 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423170790 393653277 /nfs/dbraw/zinc/65/32/77/393653277.db2.gz YWKDBRXLHKMWSG-YLFCFFPRSA-N 1 3 282.472 3.235 20 0 CGADHO C[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000432856933 393653681 /nfs/dbraw/zinc/65/36/81/393653681.db2.gz BZRKZRUOJMTSNM-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO c1ccc(C[C@@H]([NH2+][C@H]2CCNC2)C2CCCCC2)cc1 ZINC000423205349 393654489 /nfs/dbraw/zinc/65/44/89/393654489.db2.gz PFTACDFFIRICRA-ZWKOTPCHSA-N 1 3 272.436 3.130 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490799191 393656188 /nfs/dbraw/zinc/65/61/88/393656188.db2.gz UNGVHHZJZXUGLE-KRWDZBQOSA-N 1 3 286.463 3.387 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(OC)cc1 ZINC000423365407 393664220 /nfs/dbraw/zinc/66/42/20/393664220.db2.gz BPXVLIPXFCNMDW-KMFMINBZSA-N 1 3 276.424 3.267 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423469337 393669389 /nfs/dbraw/zinc/66/93/89/393669389.db2.gz OUJZNCKNFSHDSV-GBIKHYSHSA-N 1 3 297.240 3.324 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423474587 393670036 /nfs/dbraw/zinc/67/00/36/393670036.db2.gz RKWFJSVBUFDIPR-QMTHXVAHSA-N 1 3 297.240 3.153 20 0 CGADHO CCSCCNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437349821 393718934 /nfs/dbraw/zinc/71/89/34/393718934.db2.gz UJEZHFPNSNDSMR-OAHLLOKOSA-N 1 3 270.486 3.126 20 0 CGADHO CCSCCNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437349821 393718940 /nfs/dbraw/zinc/71/89/40/393718940.db2.gz UJEZHFPNSNDSMR-OAHLLOKOSA-N 1 3 270.486 3.126 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000443890684 393776508 /nfs/dbraw/zinc/77/65/08/393776508.db2.gz XDOIWCKWTZHIQH-UKRRQHHQSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000443890684 393776511 /nfs/dbraw/zinc/77/65/11/393776511.db2.gz XDOIWCKWTZHIQH-UKRRQHHQSA-N 1 3 283.419 3.114 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000502279995 393872111 /nfs/dbraw/zinc/87/21/11/393872111.db2.gz HUOARXZVKDLABO-ZACQAIPSSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000502284699 393872189 /nfs/dbraw/zinc/87/21/89/393872189.db2.gz HMMJFCLBJSLZOG-YYIAUSFCSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)CN1CCCC1 ZINC000502459930 393876266 /nfs/dbraw/zinc/87/62/66/393876266.db2.gz GPMXQUFTYRXHGF-ZMSDIMECSA-N 1 3 264.457 3.277 20 0 CGADHO CCC[NH+]1CCC(NCCc2cc(C)ccc2F)CC1 ZINC000449556523 393900449 /nfs/dbraw/zinc/90/04/49/393900449.db2.gz SZDMCMLSYIIXGD-UHFFFAOYSA-N 1 3 278.415 3.141 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666995184 542832762 /nfs/dbraw/zinc/83/27/62/542832762.db2.gz FNRNSAMOSXDPOF-HOCLYGCPSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666995184 542832764 /nfs/dbraw/zinc/83/27/64/542832764.db2.gz FNRNSAMOSXDPOF-HOCLYGCPSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995740 542833328 /nfs/dbraw/zinc/83/33/28/542833328.db2.gz YRXMBYQTUZUIBL-GDBMZVCRSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995740 542833330 /nfs/dbraw/zinc/83/33/30/542833330.db2.gz YRXMBYQTUZUIBL-GDBMZVCRSA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666996997 542833334 /nfs/dbraw/zinc/83/33/34/542833334.db2.gz QRILTBDHPGOLFD-NVXWUHKLSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666997089 542835272 /nfs/dbraw/zinc/83/52/72/542835272.db2.gz WOTQQSJCIXBHHJ-KFWWJZLASA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CCN(CCC)C1)C1CCC1 ZINC000453102885 394171339 /nfs/dbraw/zinc/17/13/39/394171339.db2.gz VXKQERQOPQGNNM-GDBMZVCRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(F)C1)c1cccc(OCCN(C)C)c1 ZINC000453231466 394214064 /nfs/dbraw/zinc/21/40/64/394214064.db2.gz FOHZBZOEKDQPEL-KTAKPFMOSA-N 1 3 294.414 3.168 20 0 CGADHO C[N@H+](CCCCNCc1sccc1Cl)C1CC1 ZINC000453601662 394254637 /nfs/dbraw/zinc/25/46/37/394254637.db2.gz VBPIAYCAAUUAFT-UHFFFAOYSA-N 1 3 272.845 3.366 20 0 CGADHO C[N@@H+](CCCCNCc1sccc1Cl)C1CC1 ZINC000453601662 394254639 /nfs/dbraw/zinc/25/46/39/394254639.db2.gz VBPIAYCAAUUAFT-UHFFFAOYSA-N 1 3 272.845 3.366 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N1CCCCC1 ZINC000667974626 542952631 /nfs/dbraw/zinc/95/26/31/542952631.db2.gz YUHXSMQJVHBUFZ-FZKCQIBNSA-N 1 3 250.430 3.029 20 0 CGADHO C([NH2+]C1CC2(CCC2)C1)[C@H]1CCCN(CC2CC2)C1 ZINC000668820597 543066179 /nfs/dbraw/zinc/06/61/79/543066179.db2.gz WXTFUXCMJDKSKN-OAHLLOKOSA-N 1 3 262.441 3.031 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000668818172 543066678 /nfs/dbraw/zinc/06/66/78/543066678.db2.gz FRGNQVWAPOQULU-GOEBONIOSA-N 1 3 266.473 3.380 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cc2ccccc2s1 ZINC000334361849 397682354 /nfs/dbraw/zinc/68/23/54/397682354.db2.gz CFHZETRZBUMNSC-DOMZBBRYSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cc2ccccc2s1 ZINC000334361849 397682357 /nfs/dbraw/zinc/68/23/57/397682357.db2.gz CFHZETRZBUMNSC-DOMZBBRYSA-N 1 3 274.433 3.331 20 0 CGADHO CC[C@H]1CN(Cc2ccc(OC)c3ccccc23)CC[C@H]1[NH3+] ZINC000387515891 397690420 /nfs/dbraw/zinc/69/04/20/397690420.db2.gz OVJNUUUDAUHQGX-KBXCAEBGSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000392260347 397692820 /nfs/dbraw/zinc/69/28/20/397692820.db2.gz PSSNDIWDQFQIPL-DXCHVLGVSA-N 1 3 262.441 3.053 20 0 CGADHO CC[N@H+](CCCN[C@H](C)CCOC)C1CCCCC1 ZINC000650131423 397789105 /nfs/dbraw/zinc/78/91/05/397789105.db2.gz MQEFBQGXVCJEGQ-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)CCOC)C1CCCCC1 ZINC000650131423 397789108 /nfs/dbraw/zinc/78/91/08/397789108.db2.gz MQEFBQGXVCJEGQ-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(C)cc1C ZINC000650718235 397901693 /nfs/dbraw/zinc/90/16/93/397901693.db2.gz DIYJDJXUFQUAMZ-UHFFFAOYSA-N 1 3 268.404 3.313 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740927 397904069 /nfs/dbraw/zinc/90/40/69/397904069.db2.gz UQVAZLOFZUPHKO-RHSMWYFYSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740927 397904074 /nfs/dbraw/zinc/90/40/74/397904074.db2.gz UQVAZLOFZUPHKO-RHSMWYFYSA-N 1 3 290.426 3.225 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCC23CCCC3)c(F)c1 ZINC000650754149 397909387 /nfs/dbraw/zinc/90/93/87/397909387.db2.gz BVPIIGPJBJSDBA-OAHLLOKOSA-N 1 3 262.372 3.097 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000650756603 397910340 /nfs/dbraw/zinc/91/03/40/397910340.db2.gz FUQWMKZHSDWQDT-GOSISDBHSA-N 1 3 299.393 3.181 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccccc1N(C)C ZINC000650757492 397910616 /nfs/dbraw/zinc/91/06/16/397910616.db2.gz YGKVNPDHQSOSSW-OAHLLOKOSA-N 1 3 297.446 3.323 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(OC)cc1 ZINC000650760157 397911124 /nfs/dbraw/zinc/91/11/24/397911124.db2.gz XRFHPNHGLNXQBY-AWEZNQCLSA-N 1 3 284.403 3.265 20 0 CGADHO CCC[C@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000675722726 543357819 /nfs/dbraw/zinc/35/78/19/543357819.db2.gz OYWHFQAATQTACB-LSDHHAIUSA-N 1 3 278.440 3.466 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237956 543440856 /nfs/dbraw/zinc/44/08/56/543440856.db2.gz RYIRXXFVSYPSMZ-AVGKFFPGSA-N 1 3 288.479 3.275 20 0 CGADHO CCN1CCN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000677152301 543436729 /nfs/dbraw/zinc/43/67/29/543436729.db2.gz BZFUKXARQARUJP-AWEZNQCLSA-N 1 3 269.392 3.074 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC(C2CCCC2)CC1 ZINC000678079033 543481784 /nfs/dbraw/zinc/48/17/84/543481784.db2.gz MSZWDMKWGVFQDX-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC(C2CCCC2)CC1 ZINC000678079033 543481785 /nfs/dbraw/zinc/48/17/85/543481785.db2.gz MSZWDMKWGVFQDX-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1cc(C)c(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678604346 543542482 /nfs/dbraw/zinc/54/24/82/543542482.db2.gz IKUDQHQKMFKBJC-ROUUACIJSA-N 1 3 286.463 3.371 20 0 CGADHO Cc1cc(C)c(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678604346 543542486 /nfs/dbraw/zinc/54/24/86/543542486.db2.gz IKUDQHQKMFKBJC-ROUUACIJSA-N 1 3 286.463 3.371 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000678766264 543554079 /nfs/dbraw/zinc/55/40/79/543554079.db2.gz NKRSWEAAGGKLRU-CLCXKQKWSA-N 1 3 284.447 3.384 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000678766264 543554081 /nfs/dbraw/zinc/55/40/81/543554081.db2.gz NKRSWEAAGGKLRU-CLCXKQKWSA-N 1 3 284.447 3.384 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000678735732 543551631 /nfs/dbraw/zinc/55/16/31/543551631.db2.gz XORUWCCTEORSQQ-GOEBONIOSA-N 1 3 276.424 3.220 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905547 298384128 /nfs/dbraw/zinc/38/41/28/298384128.db2.gz LLOKXRLRDGWRDA-NEPJUHHUSA-N 1 3 266.351 3.087 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](c1ccco1)c1ccccc1 ZINC000336814723 298399671 /nfs/dbraw/zinc/39/96/71/298399671.db2.gz GIHHKWPEQXEVGD-CZUORRHYSA-N 1 3 258.365 3.086 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CCCC1 ZINC000054080892 286941097 /nfs/dbraw/zinc/94/10/97/286941097.db2.gz QITJZTINLMUZQD-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000246939954 287022878 /nfs/dbraw/zinc/02/28/78/287022878.db2.gz HPFRONQENDRDMN-LSDHHAIUSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000246939954 287022882 /nfs/dbraw/zinc/02/28/82/287022882.db2.gz HPFRONQENDRDMN-LSDHHAIUSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@H](C)c1ccccc1 ZINC000414855427 287050289 /nfs/dbraw/zinc/05/02/89/287050289.db2.gz NEERYFNSBGXNKC-IVSAIRAKSA-N 1 3 260.425 3.156 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H](C)[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000423460496 287050340 /nfs/dbraw/zinc/05/03/40/287050340.db2.gz IWPCHPYPODYPAS-YFKTTZPYSA-N 1 3 254.805 3.157 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081624035 287075444 /nfs/dbraw/zinc/07/54/44/287075444.db2.gz YRAIEOXGLHOECT-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNCc1cc[nH]c1 ZINC000080777946 165160065 /nfs/dbraw/zinc/16/00/65/165160065.db2.gz NUSINGVFTFKQQH-UHFFFAOYSA-N 1 3 271.408 3.146 20 0 CGADHO Cc1c[nH+]ccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081557746 165166212 /nfs/dbraw/zinc/16/62/12/165166212.db2.gz YEIBIFAHOFJZOO-QGZVFWFLSA-N 1 3 281.403 3.467 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089140308 165199927 /nfs/dbraw/zinc/19/99/27/165199927.db2.gz LKFNZKMDZUZWSE-OIISXLGYSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H]1C[C@@H](Nc2ccnc3ccccc32)CC[N@@H+]1C ZINC000090795313 165243188 /nfs/dbraw/zinc/24/31/88/165243188.db2.gz RJRILGRNQPLCEA-STQMWFEESA-N 1 3 255.365 3.129 20 0 CGADHO C[C@H]1C[C@@H](Nc2ccnc3ccccc32)CC[N@H+]1C ZINC000090795313 165243189 /nfs/dbraw/zinc/24/31/89/165243189.db2.gz RJRILGRNQPLCEA-STQMWFEESA-N 1 3 255.365 3.129 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093211228 165326747 /nfs/dbraw/zinc/32/67/47/165326747.db2.gz SOROYSPGVXRJTK-YJNKXOJESA-N 1 3 252.446 3.451 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000094070082 165342634 /nfs/dbraw/zinc/34/26/34/165342634.db2.gz ADRGKFMTQBYECF-KRWDZBQOSA-N 1 3 294.414 3.107 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522096 165351891 /nfs/dbraw/zinc/35/18/91/165351891.db2.gz OWUUQOGHPLSPLT-CXAGYDPISA-N 1 3 258.409 3.266 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522096 165351892 /nfs/dbraw/zinc/35/18/92/165351892.db2.gz OWUUQOGHPLSPLT-CXAGYDPISA-N 1 3 258.409 3.266 20 0 CGADHO C[C@@H]1CN(CCC2CC[NH+](CC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000093844468 287119751 /nfs/dbraw/zinc/11/97/51/287119751.db2.gz HVDIKOGWKKFEIY-HZPDHXFCSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129211090 287268320 /nfs/dbraw/zinc/26/83/20/287268320.db2.gz SLMXBDVIKALVSP-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO c1cc2cc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)ccc2o1 ZINC000285489293 196301290 /nfs/dbraw/zinc/30/12/90/196301290.db2.gz PEOUPDFADIXUHG-AWEZNQCLSA-N 1 3 270.376 3.007 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000037236695 173054563 /nfs/dbraw/zinc/05/45/63/173054563.db2.gz MEORPGJTZGGJBF-UHFFFAOYSA-N 1 3 290.451 3.436 20 0 CGADHO CC[C@H](NC1CC[NH+](CC)CC1)c1cccs1 ZINC000038098003 174112572 /nfs/dbraw/zinc/11/25/72/174112572.db2.gz MRRPIRUQYIAOKM-ZDUSSCGKSA-N 1 3 252.427 3.273 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000128554841 287313454 /nfs/dbraw/zinc/31/34/54/287313454.db2.gz OTKYAYZAHSSALJ-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](CN1CCC([NH2+]CC2CC2)CC1)C(C)(C)C ZINC000310682310 416531801 /nfs/dbraw/zinc/53/18/01/416531801.db2.gz SIGUEBPMSPDKTM-ZDUSSCGKSA-N 1 3 252.446 3.133 20 0 CGADHO C1C[C@H]([NH2+][C@@H]2CCCNCC2)C2(C1)CCCCC2 ZINC000313074794 416534398 /nfs/dbraw/zinc/53/43/98/416534398.db2.gz NAVXWXOHKWWFIU-CABCVRRESA-N 1 3 250.430 3.221 20 0 CGADHO C[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)[C@H]1CC[NH3+] ZINC000404330066 416552065 /nfs/dbraw/zinc/55/20/65/416552065.db2.gz YLUOAALQVXZPRI-WFASDCNBSA-N 1 3 298.377 3.237 20 0 CGADHO CC[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1N ZINC000122387155 416504113 /nfs/dbraw/zinc/50/41/13/416504113.db2.gz UPAKUWHGMUKPFF-XOKHGSTOSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1N ZINC000122387155 416504118 /nfs/dbraw/zinc/50/41/18/416504118.db2.gz UPAKUWHGMUKPFF-XOKHGSTOSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1CN([C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000122387155 416504121 /nfs/dbraw/zinc/50/41/21/416504121.db2.gz UPAKUWHGMUKPFF-XOKHGSTOSA-N 1 3 258.409 3.123 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000129606542 287335907 /nfs/dbraw/zinc/33/59/07/287335907.db2.gz MIFKQFFCPYMTRJ-PMPSAXMXSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000129606542 287335909 /nfs/dbraw/zinc/33/59/09/287335909.db2.gz MIFKQFFCPYMTRJ-PMPSAXMXSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2CSC2)cc1 ZINC000679625572 543650688 /nfs/dbraw/zinc/65/06/88/543650688.db2.gz WYJDIZWGPRFYCV-CQSZACIVSA-N 1 3 290.476 3.266 20 0 CGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2CSC2)cc1 ZINC000679625572 543650689 /nfs/dbraw/zinc/65/06/89/543650689.db2.gz WYJDIZWGPRFYCV-CQSZACIVSA-N 1 3 290.476 3.266 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000682074602 543822505 /nfs/dbraw/zinc/82/25/05/543822505.db2.gz QELBEPRLCHVQHT-VQIMIIECSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000682074602 543822508 /nfs/dbraw/zinc/82/25/08/543822508.db2.gz QELBEPRLCHVQHT-VQIMIIECSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000682074602 543822510 /nfs/dbraw/zinc/82/25/10/543822510.db2.gz QELBEPRLCHVQHT-VQIMIIECSA-N 1 3 284.447 3.482 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000131128283 287371321 /nfs/dbraw/zinc/37/13/21/287371321.db2.gz VMNBIPWUXJCWEE-BBRMVZONSA-N 1 3 250.430 3.029 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000684374491 543988780 /nfs/dbraw/zinc/98/87/80/543988780.db2.gz QSSAVXCOZGNIAC-MSOLQXFVSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1F ZINC000134209164 287437824 /nfs/dbraw/zinc/43/78/24/287437824.db2.gz BUUDCLUFOBULBV-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO CC[C@H](OCCN[C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000650741407 418935839 /nfs/dbraw/zinc/93/58/39/418935839.db2.gz CVJFQGDLNYLMGK-NJAFHUGGSA-N 1 3 290.451 3.132 20 0 CGADHO CCCc1cc(N(C)CC2CN(C)C2)c2ccccc2[nH+]1 ZINC000664330048 418940452 /nfs/dbraw/zinc/94/04/52/418940452.db2.gz INSIUCWSZYJWTN-UHFFFAOYSA-N 1 3 283.419 3.185 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000652352634 418955568 /nfs/dbraw/zinc/95/55/68/418955568.db2.gz GRTBQPJPNIBVAL-QGTPRVQTSA-N 1 3 288.410 3.264 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000652352634 418955570 /nfs/dbraw/zinc/95/55/70/418955570.db2.gz GRTBQPJPNIBVAL-QGTPRVQTSA-N 1 3 288.410 3.264 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000652352802 418955924 /nfs/dbraw/zinc/95/59/24/418955924.db2.gz YHIGAKLZITZNKV-VUCTXSBTSA-N 1 3 290.838 3.388 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000652352802 418955928 /nfs/dbraw/zinc/95/59/28/418955928.db2.gz YHIGAKLZITZNKV-VUCTXSBTSA-N 1 3 290.838 3.388 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659949477 419043346 /nfs/dbraw/zinc/04/33/46/419043346.db2.gz XLYFIYRMIXWTND-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000659949477 419043349 /nfs/dbraw/zinc/04/33/49/419043349.db2.gz XLYFIYRMIXWTND-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000659949477 419043353 /nfs/dbraw/zinc/04/33/53/419043353.db2.gz XLYFIYRMIXWTND-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CSc1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000659844022 419007929 /nfs/dbraw/zinc/00/79/29/419007929.db2.gz GWAFFDNJMMCSQH-UHFFFAOYSA-N 1 3 278.465 3.182 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000655743601 419085149 /nfs/dbraw/zinc/08/51/49/419085149.db2.gz IKQXQTHOGGIHTI-HZPDHXFCSA-N 1 3 271.408 3.130 20 0 CGADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000665238181 419089209 /nfs/dbraw/zinc/08/92/09/419089209.db2.gz SKPIDJBPOUASCI-YHUYYLMFSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1cccc(F)c1 ZINC000665246610 419090242 /nfs/dbraw/zinc/09/02/42/419090242.db2.gz JOWITASVKGXKDG-AWEZNQCLSA-N 1 3 250.361 3.138 20 0 CGADHO [NH3+]C1(CN[C@H]2CC[C@H](c3ccccc3)C2)CCCC1 ZINC000665247668 419090542 /nfs/dbraw/zinc/09/05/42/419090542.db2.gz HPTAEAGRSOUTDI-HOTGVXAUSA-N 1 3 258.409 3.184 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCCC1)[C@H](C)C2 ZINC000665247555 419091187 /nfs/dbraw/zinc/09/11/87/419091187.db2.gz FDPHMRXGFFPBGC-CJNGLKHVSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000665246357 419091254 /nfs/dbraw/zinc/09/12/54/419091254.db2.gz CNVNVCXWMKDJSX-HZPDHXFCSA-N 1 3 287.451 3.277 20 0 CGADHO CO[C@@H](C[NH+]1CCC2(CCCN2C)CC1)C1CCCCC1 ZINC000660166929 419092005 /nfs/dbraw/zinc/09/20/05/419092005.db2.gz IZZLHNMSPIECJG-KRWDZBQOSA-N 1 3 294.483 3.142 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665248728 419092572 /nfs/dbraw/zinc/09/25/72/419092572.db2.gz BFAGIHACTUJFJT-ZDUSSCGKSA-N 1 3 262.397 3.007 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CCC(F)(F)CC1 ZINC000653872088 419100100 /nfs/dbraw/zinc/10/01/00/419100100.db2.gz OPHPXUNNXUFQBP-JSGCOSHPSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCc2sccc21 ZINC000665280967 419101145 /nfs/dbraw/zinc/10/11/45/419101145.db2.gz QRCIDYXHWPXCEJ-CHWSQXEVSA-N 1 3 252.427 3.089 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1CC[NH2+]CC[C@H]1C ZINC000665282838 419103624 /nfs/dbraw/zinc/10/36/24/419103624.db2.gz CPAPWMJKHOHRRZ-JLSDUUJJSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282353 419103729 /nfs/dbraw/zinc/10/37/29/419103729.db2.gz WFEUEPMTPAEOGQ-IXDOHACOSA-N 1 3 289.467 3.379 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](NCC[C@@H]([NH3+])C(C)C)C1 ZINC000665282353 419103732 /nfs/dbraw/zinc/10/37/32/419103732.db2.gz WFEUEPMTPAEOGQ-IXDOHACOSA-N 1 3 289.467 3.379 20 0 CGADHO CC[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000655847578 419119327 /nfs/dbraw/zinc/11/93/27/419119327.db2.gz BZOCNHHPIVEUMO-CVEARBPZSA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656197968 419148878 /nfs/dbraw/zinc/14/88/78/419148878.db2.gz SEXAJSRCRKQQGR-GJZGRUSLSA-N 1 3 276.424 3.048 20 0 CGADHO CC[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)[C@H]1CCCCO1 ZINC000656202119 419149911 /nfs/dbraw/zinc/14/99/11/419149911.db2.gz YZLJROCWFZZZJT-WCXIOVBPSA-N 1 3 282.472 3.235 20 0 CGADHO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660654486 419176425 /nfs/dbraw/zinc/17/64/25/419176425.db2.gz GMDGDEUZOHETNY-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660654486 419176428 /nfs/dbraw/zinc/17/64/28/419176428.db2.gz GMDGDEUZOHETNY-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO COc1cccc([C@@H](C)[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660658139 419177139 /nfs/dbraw/zinc/17/71/39/419177139.db2.gz CQTNMJLTQFMIPP-CRAIPNDOSA-N 1 3 288.435 3.174 20 0 CGADHO COc1cccc([C@@H](C)[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660658139 419177141 /nfs/dbraw/zinc/17/71/41/419177141.db2.gz CQTNMJLTQFMIPP-CRAIPNDOSA-N 1 3 288.435 3.174 20 0 CGADHO CCc1ccc(CCN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660660945 419177174 /nfs/dbraw/zinc/17/71/74/419177174.db2.gz XQRNKGGHWVXFGN-IBGZPJMESA-N 1 3 286.463 3.209 20 0 CGADHO CCc1ccc(CCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660660945 419177176 /nfs/dbraw/zinc/17/71/76/419177176.db2.gz XQRNKGGHWVXFGN-IBGZPJMESA-N 1 3 286.463 3.209 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000656617951 419187268 /nfs/dbraw/zinc/18/72/68/419187268.db2.gz UFGXKPPJRPDEIT-WLYUNCDWSA-N 1 3 252.446 3.131 20 0 CGADHO CC[C@@H]1C[C@@H](NCc2ccccc2C[N@H+](C)C(C)C)CO1 ZINC000657308008 419247338 /nfs/dbraw/zinc/24/73/38/419247338.db2.gz LOTZCKVCIUBPPF-QZTJIDSGSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+](C)C(C)C)CO1 ZINC000657308008 419247340 /nfs/dbraw/zinc/24/73/40/419247340.db2.gz LOTZCKVCIUBPPF-QZTJIDSGSA-N 1 3 290.451 3.184 20 0 CGADHO C(CN1CCC(C2CCC2)CC1)C[NH+]1CCCCC1 ZINC000661373709 419254485 /nfs/dbraw/zinc/25/44/85/419254485.db2.gz FAFZGIUMWACNGE-UHFFFAOYSA-N 1 3 264.457 3.375 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@@H]2c2ccccc2)CCCC1 ZINC000656789616 419221525 /nfs/dbraw/zinc/22/15/25/419221525.db2.gz SVMYXEAHVBGRIT-CVEARBPZSA-N 1 3 258.409 3.184 20 0 CGADHO COc1cccc(C2([NH2+]CC[C@@H]3CCCN3C)CCC2)c1 ZINC000662109025 419336301 /nfs/dbraw/zinc/33/63/01/419336301.db2.gz DTEWZCCWIWZLPE-INIZCTEOSA-N 1 3 288.435 3.148 20 0 CGADHO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000662161614 419349337 /nfs/dbraw/zinc/34/93/37/419349337.db2.gz URTJJBKDEPMLET-ZWKOTPCHSA-N 1 3 295.515 3.056 20 0 CGADHO CC[C@@H]1CCC[C@H](C)[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000662161614 419349340 /nfs/dbraw/zinc/34/93/40/419349340.db2.gz URTJJBKDEPMLET-ZWKOTPCHSA-N 1 3 295.515 3.056 20 0 CGADHO CC(C)CC1([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000657775530 419344206 /nfs/dbraw/zinc/34/42/06/419344206.db2.gz ROVSPDOIKOJXFG-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536857854 288507561 /nfs/dbraw/zinc/50/75/61/288507561.db2.gz MNUDLFUJGUPQIP-IKGGRYGDSA-N 1 3 296.499 3.434 20 0 CGADHO CNC[C@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245035 419371519 /nfs/dbraw/zinc/37/15/19/419371519.db2.gz HJGOEPOWQSSWBN-JFIYKMOQSA-N 1 3 272.436 3.112 20 0 CGADHO CNC[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245035 419371525 /nfs/dbraw/zinc/37/15/25/419371525.db2.gz HJGOEPOWQSSWBN-JFIYKMOQSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(C(C)(C)C)c1 ZINC000662266418 419376179 /nfs/dbraw/zinc/37/61/79/419376179.db2.gz YHLAXCLGRXQWPP-HIFRSBDPSA-N 1 3 260.425 3.153 20 0 CGADHO COC1([C@@H](C)NCCC[N@H+](C)C2CCCCC2)CCC1 ZINC000657830158 419377523 /nfs/dbraw/zinc/37/75/23/419377523.db2.gz MHWVAVHEQULVEB-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000657830158 419377529 /nfs/dbraw/zinc/37/75/29/419377529.db2.gz MHWVAVHEQULVEB-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO c1ccc2c(c1)CC[C@H]2CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277263 419382722 /nfs/dbraw/zinc/38/27/22/419382722.db2.gz OJWCNSFFQLABQJ-HKUYNNGSSA-N 1 3 284.447 3.182 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc2c1CCNC2)C1CCCC1 ZINC000662281372 419385229 /nfs/dbraw/zinc/38/52/29/419385229.db2.gz KCSPCPCCUAGQAT-CYBMUJFWSA-N 1 3 258.409 3.001 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1cccc(-c2ccccn2)c1 ZINC000663500115 419635842 /nfs/dbraw/zinc/63/58/42/419635842.db2.gz OQPRMBNOOXKFAS-QGZVFWFLSA-N 1 3 283.419 3.212 20 0 CGADHO Cc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1Br ZINC000663500801 419636154 /nfs/dbraw/zinc/63/61/54/419636154.db2.gz WBAURZLSTBXMQR-CQSZACIVSA-N 1 3 299.256 3.221 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356272 419575614 /nfs/dbraw/zinc/57/56/14/419575614.db2.gz HSLDEMONDOHYFQ-VXGBXAGGSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356272 419575623 /nfs/dbraw/zinc/57/56/23/419575623.db2.gz HSLDEMONDOHYFQ-VXGBXAGGSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356272 419575626 /nfs/dbraw/zinc/57/56/26/419575626.db2.gz HSLDEMONDOHYFQ-VXGBXAGGSA-N 1 3 278.362 3.181 20 0 CGADHO C[C@@H](CNc1nccc2[nH]ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000663389957 419585942 /nfs/dbraw/zinc/58/59/42/419585942.db2.gz ZZKYWDPIWPAMBW-OLZOCXBDSA-N 1 3 272.396 3.095 20 0 CGADHO C[C@@H](CNc1nccc2[nH]ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000663389957 419585955 /nfs/dbraw/zinc/58/59/55/419585955.db2.gz ZZKYWDPIWPAMBW-OLZOCXBDSA-N 1 3 272.396 3.095 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccncc1 ZINC000663466135 419615589 /nfs/dbraw/zinc/61/55/89/419615589.db2.gz OMCBRCQUDHRLFB-WMZOPIPTSA-N 1 3 287.451 3.244 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000663503300 419640828 /nfs/dbraw/zinc/64/08/28/419640828.db2.gz NSKAMJIJEDGJBR-YOEHRIQHSA-N 1 3 258.409 3.104 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCc3ccoc3)CC2)C1 ZINC000658201621 419655760 /nfs/dbraw/zinc/65/57/60/419655760.db2.gz SAHGISQQZBRTGN-MAUKXSAKSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000423164416 287619467 /nfs/dbraw/zinc/61/94/67/287619467.db2.gz ONFRBEUIVHAUFE-HIFRSBDPSA-N 1 3 250.430 3.101 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000394527035 261383069 /nfs/dbraw/zinc/38/30/69/261383069.db2.gz GCORARDQFLQHBF-HOCLYGCPSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527035 261383072 /nfs/dbraw/zinc/38/30/72/261383072.db2.gz GCORARDQFLQHBF-HOCLYGCPSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394527035 261383073 /nfs/dbraw/zinc/38/30/73/261383073.db2.gz GCORARDQFLQHBF-HOCLYGCPSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000186226168 270065274 /nfs/dbraw/zinc/06/52/74/270065274.db2.gz BEPHYSQARCAHDF-AWEZNQCLSA-N 1 3 260.425 3.417 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@H]2CCN(CC)C2)c1 ZINC000187130365 270067972 /nfs/dbraw/zinc/06/79/72/270067972.db2.gz JXZICKKXCMRUKU-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCCc1cccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000187119597 270068017 /nfs/dbraw/zinc/06/80/17/270068017.db2.gz LNIWJCPZISMVTO-QGZVFWFLSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1cccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000187119597 270068018 /nfs/dbraw/zinc/06/80/18/270068018.db2.gz LNIWJCPZISMVTO-QGZVFWFLSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000187119597 270068019 /nfs/dbraw/zinc/06/80/19/270068019.db2.gz LNIWJCPZISMVTO-QGZVFWFLSA-N 1 3 272.436 3.213 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1CN1CCC([NH2+]C(C)C)CC1 ZINC000191301215 270074726 /nfs/dbraw/zinc/07/47/26/270074726.db2.gz GJGKCNYOUGUYDI-RDJZCZTQSA-N 1 3 264.457 3.441 20 0 CGADHO CN(Cc1cccc(F)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211369795 270084850 /nfs/dbraw/zinc/08/48/50/270084850.db2.gz PERWIYAMRCXTAI-UHFFFAOYSA-N 1 3 284.378 3.103 20 0 CGADHO C[C@@H](C[NH2+]CC1Cc2ccccc2C1)CN1CCCCC1 ZINC000522044734 270103954 /nfs/dbraw/zinc/10/39/54/270103954.db2.gz JBMUWACTGNXMSC-INIZCTEOSA-N 1 3 286.463 3.113 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530215736 270195581 /nfs/dbraw/zinc/19/55/81/270195581.db2.gz IIGUMRJTPRYIHZ-QZTJIDSGSA-N 1 3 284.447 3.190 20 0 CGADHO CC1(C)C[C@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000422987148 273589906 /nfs/dbraw/zinc/58/99/06/273589906.db2.gz FMDNZJJGBFJSCM-BBRMVZONSA-N 1 3 258.409 3.141 20 0 CGADHO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000422765054 274260443 /nfs/dbraw/zinc/26/04/43/274260443.db2.gz QAXDOPINBDUTNW-CHWSQXEVSA-N 1 3 254.377 3.098 20 0 CGADHO C[C@@H]([NH2+][C@H](C)C1CNC1)c1cccc2ccccc21 ZINC000422765054 274260446 /nfs/dbraw/zinc/26/04/46/274260446.db2.gz QAXDOPINBDUTNW-CHWSQXEVSA-N 1 3 254.377 3.098 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)[C@H](C)N ZINC000423452421 274262181 /nfs/dbraw/zinc/26/21/81/274262181.db2.gz WGOYLGSEUJSCEX-RBZYPMLTSA-N 1 3 297.240 3.152 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCNC1CC1)CC3 ZINC000415064292 274765863 /nfs/dbraw/zinc/76/58/63/274765863.db2.gz CHQLFVIVFUKPGP-HNNXBMFYSA-N 1 3 297.446 3.065 20 0 CGADHO C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)OC1CCCCCC1 ZINC000420338104 275390861 /nfs/dbraw/zinc/39/08/61/275390861.db2.gz OPNMKANYGMHNLU-SFHVURJKSA-N 1 3 294.483 3.190 20 0 CGADHO C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CCCNCC3)CC[C@H]2C1 ZINC000422799694 275736400 /nfs/dbraw/zinc/73/64/00/275736400.db2.gz YCHHJUFUBJYCLU-KLHDSHLOSA-N 1 3 250.430 3.077 20 0 CGADHO CC1CCC(C)(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000423086719 275927542 /nfs/dbraw/zinc/92/75/42/275927542.db2.gz NUAXDMODCPMOOO-FYRZTWFESA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1C ZINC000422923279 287865251 /nfs/dbraw/zinc/86/52/51/287865251.db2.gz VTVDGTNFKKZEBF-DJIMGWMZSA-N 1 3 290.451 3.130 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC000450472565 276074434 /nfs/dbraw/zinc/07/44/34/276074434.db2.gz LTPNHLBILLPFSA-RLGIIYIFSA-N 1 3 272.436 3.364 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC000450472565 276074436 /nfs/dbraw/zinc/07/44/36/276074436.db2.gz LTPNHLBILLPFSA-RLGIIYIFSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450472565 276074437 /nfs/dbraw/zinc/07/44/37/276074437.db2.gz LTPNHLBILLPFSA-RLGIIYIFSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450472565 276074439 /nfs/dbraw/zinc/07/44/39/276074439.db2.gz LTPNHLBILLPFSA-RLGIIYIFSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450449601 276106251 /nfs/dbraw/zinc/10/62/51/276106251.db2.gz FPBZOKNYBDPWLH-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450449601 276106252 /nfs/dbraw/zinc/10/62/52/276106252.db2.gz FPBZOKNYBDPWLH-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000340458873 276325853 /nfs/dbraw/zinc/32/58/53/276325853.db2.gz BLTOAYJKSBICOK-OCCSQVGLSA-N 1 3 267.417 3.144 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@]2(C)CCCNC2)C1 ZINC000414916531 276469133 /nfs/dbraw/zinc/46/91/33/276469133.db2.gz PWHIYRHUFPHOLS-OWCLPIDISA-N 1 3 252.446 3.182 20 0 CGADHO C[NH+]1CCC(CCN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269894493 277026499 /nfs/dbraw/zinc/02/64/99/277026499.db2.gz XDFBTFSDALVPDU-INIZCTEOSA-N 1 3 294.389 3.274 20 0 CGADHO COCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423136754 277199496 /nfs/dbraw/zinc/19/94/96/277199496.db2.gz HLNUJYUYTUQEBW-DLBZAZTESA-N 1 3 288.435 3.318 20 0 CGADHO C[NH2+]CCCN(C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130986 277267444 /nfs/dbraw/zinc/26/74/44/277267444.db2.gz YGJRYTPREZFDOC-IAGOWNOFSA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130986 277267448 /nfs/dbraw/zinc/26/74/48/277267448.db2.gz YGJRYTPREZFDOC-IAGOWNOFSA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130986 277267449 /nfs/dbraw/zinc/26/74/49/277267449.db2.gz YGJRYTPREZFDOC-IAGOWNOFSA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000414860758 277268701 /nfs/dbraw/zinc/26/87/01/277268701.db2.gz QMXAGMRUXKNFIF-HYVNUMGLSA-N 1 3 260.425 3.158 20 0 CGADHO C[NH2+]CCCN[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000414860758 277268703 /nfs/dbraw/zinc/26/87/03/277268703.db2.gz QMXAGMRUXKNFIF-HYVNUMGLSA-N 1 3 260.425 3.158 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449524606 277288176 /nfs/dbraw/zinc/28/81/76/277288176.db2.gz RVUUQQAWRNMAFD-BZZMCLGOSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449524606 277288177 /nfs/dbraw/zinc/28/81/77/277288177.db2.gz RVUUQQAWRNMAFD-BZZMCLGOSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)CN1CCCC1 ZINC000338000208 287955602 /nfs/dbraw/zinc/95/56/02/287955602.db2.gz VARDAMGUBCBTGS-OAGGEKHMSA-N 1 3 270.436 3.226 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC12CCC2)CN1CCCC1 ZINC000394756454 288003503 /nfs/dbraw/zinc/00/35/03/288003503.db2.gz BCLHOKRIOWNMCJ-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000516258509 278240365 /nfs/dbraw/zinc/24/03/65/278240365.db2.gz ABUCCNMOKSAKPD-KBPBESRZSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCNCC1)[C@@H](C)C1CCCCC1 ZINC000422831652 278271512 /nfs/dbraw/zinc/27/15/12/278271512.db2.gz XASVAJGQSZMTFZ-IJEWVQPXSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000339086061 278337167 /nfs/dbraw/zinc/33/71/67/278337167.db2.gz VVSGEMHFNWTVBZ-KLHDSHLOSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1(C)CC1 ZINC000359909023 278345603 /nfs/dbraw/zinc/34/56/03/278345603.db2.gz JGYVZKBDLVYMPE-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]1CCC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000086675278 278348924 /nfs/dbraw/zinc/34/89/24/278348924.db2.gz KDUUBJXOYSIOLG-HOCLYGCPSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000467439982 278523957 /nfs/dbraw/zinc/52/39/57/278523957.db2.gz OZFHMKTVWMAYHA-KGLIPLIRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)Oc1ccccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459745039 288100663 /nfs/dbraw/zinc/10/06/63/288100663.db2.gz YKBRUUKSQYBNRL-MRXNPFEDSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)Oc1ccccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459745039 288100666 /nfs/dbraw/zinc/10/06/66/288100666.db2.gz YKBRUUKSQYBNRL-MRXNPFEDSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]1c2c(F)cccc2CCN1CCC1CC[NH2+]CC1 ZINC000516651663 279128397 /nfs/dbraw/zinc/12/83/97/279128397.db2.gz CIUQODMAUNBSIG-CYBMUJFWSA-N 1 3 276.399 3.135 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300411504 279355434 /nfs/dbraw/zinc/35/54/34/279355434.db2.gz NQYZOFQTPZRAEU-HOTGVXAUSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423214230 279384706 /nfs/dbraw/zinc/38/47/06/279384706.db2.gz LABSTBVVJIESJD-QLFBSQMISA-N 1 3 286.419 3.342 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423214230 279384708 /nfs/dbraw/zinc/38/47/08/279384708.db2.gz LABSTBVVJIESJD-QLFBSQMISA-N 1 3 286.419 3.342 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000173360068 279466886 /nfs/dbraw/zinc/46/68/86/279466886.db2.gz YBTCOUPMYHLYDJ-ZACQAIPSSA-N 1 3 290.451 3.227 20 0 CGADHO CC(C)[C@@H](NCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423197275 279905099 /nfs/dbraw/zinc/90/50/99/279905099.db2.gz YSBDYJAVPIBJKT-CYBMUJFWSA-N 1 3 274.330 3.341 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527630775 288177477 /nfs/dbraw/zinc/17/74/77/288177477.db2.gz HFQOQPOHHNZHIM-UGFHNGPFSA-N 1 3 264.457 3.320 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527670771 288187719 /nfs/dbraw/zinc/18/77/19/288187719.db2.gz QMIMSPHUVUMEGM-HOTGVXAUSA-N 1 3 271.408 3.130 20 0 CGADHO CCS[C@@H]1CCCC[C@H]1[NH2+]CCCN(CC)CC ZINC000338279538 280047125 /nfs/dbraw/zinc/04/71/25/280047125.db2.gz JIULUIXBDPXHRW-HUUCEWRRSA-N 1 3 272.502 3.372 20 0 CGADHO CC[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423192302 280145534 /nfs/dbraw/zinc/14/55/34/280145534.db2.gz ULLPAICRKOFUBK-QJPTWQEYSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414775946 280173764 /nfs/dbraw/zinc/17/37/64/280173764.db2.gz WHWWLILXAHWVOE-CAMMJAKZSA-N 1 3 284.447 3.038 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000502032574 280265289 /nfs/dbraw/zinc/26/52/89/280265289.db2.gz MAFZVMGCVBIWRQ-TVFCKZIOSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)C[C@@H]1C ZINC000414944349 280412108 /nfs/dbraw/zinc/41/21/08/280412108.db2.gz GUKIGOBTONJZNQ-UYJHQMFVSA-N 1 3 252.446 3.177 20 0 CGADHO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000252857901 280585297 /nfs/dbraw/zinc/58/52/97/280585297.db2.gz LNRUSFFYQUMKDA-BPUTZDHNSA-N 1 3 281.403 3.107 20 0 CGADHO Cc1[nH+]c2ccccc2c(N2CC[C@@H](N3CC=CC3)C2)c1C ZINC000302104390 282073829 /nfs/dbraw/zinc/07/38/29/282073829.db2.gz WOSBEDYRADIVER-MRXNPFEDSA-N 1 3 293.414 3.302 20 0 CGADHO Cc1[nH+]c2ccccc2c(N2CC[C@H](N3CC=CC3)C2)c1C ZINC000302104388 282073881 /nfs/dbraw/zinc/07/38/81/282073881.db2.gz WOSBEDYRADIVER-INIZCTEOSA-N 1 3 293.414 3.302 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(OC)CC1 ZINC000543404025 288800843 /nfs/dbraw/zinc/80/08/43/288800843.db2.gz YDJYCWRNHSEXFI-BFWZDYSYSA-N 1 3 296.499 3.434 20 0 CGADHO CC(CNC1(C(C)C)CC1)C[NH2+]C1(C(C)C)CC1 ZINC000549885085 289058337 /nfs/dbraw/zinc/05/83/37/289058337.db2.gz YPJJBHQIZUAYGI-UHFFFAOYSA-N 1 3 252.446 3.179 20 0 CGADHO CN(CCC[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048911 289253084 /nfs/dbraw/zinc/25/30/84/289253084.db2.gz DYWAZFWSXYFKLF-IAGOWNOFSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@H+](CCCN[C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048911 289253085 /nfs/dbraw/zinc/25/30/85/289253085.db2.gz DYWAZFWSXYFKLF-IAGOWNOFSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048911 289253086 /nfs/dbraw/zinc/25/30/86/289253086.db2.gz DYWAZFWSXYFKLF-IAGOWNOFSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](N[C@H]1C[C@@H]1C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376194 289278705 /nfs/dbraw/zinc/27/87/05/289278705.db2.gz IVGCDTFPXBVXHM-OEAJRASXSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@@H](N[C@H]1C[C@@H]1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376194 289278707 /nfs/dbraw/zinc/27/87/07/289278707.db2.gz IVGCDTFPXBVXHM-OEAJRASXSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414947854 289455657 /nfs/dbraw/zinc/45/56/57/289455657.db2.gz XFMKPKSZMPDLAN-LZWOXQAQSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000562855879 289738852 /nfs/dbraw/zinc/73/88/52/289738852.db2.gz ZDERSQYBXBNDES-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313343695 290222656 /nfs/dbraw/zinc/22/26/56/290222656.db2.gz OXBLZRSJUCQHGJ-RHSMWYFYSA-N 1 3 290.451 3.095 20 0 CGADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@H](CN)C1 ZINC000313343695 290222658 /nfs/dbraw/zinc/22/26/58/290222658.db2.gz OXBLZRSJUCQHGJ-RHSMWYFYSA-N 1 3 290.451 3.095 20 0 CGADHO Clc1ccc(C2(C[NH2+]C[C@H]3CCCNC3)CCC2)cc1 ZINC000415089218 294103973 /nfs/dbraw/zinc/10/39/73/294103973.db2.gz YNUJVEPBWLJICD-AWEZNQCLSA-N 1 3 292.854 3.351 20 0 CGADHO Clc1ccc(C2(CNC[C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415089218 294103974 /nfs/dbraw/zinc/10/39/74/294103974.db2.gz YNUJVEPBWLJICD-AWEZNQCLSA-N 1 3 292.854 3.351 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000089146248 295248817 /nfs/dbraw/zinc/24/88/17/295248817.db2.gz VBWFOTALJVJSHD-JSGCOSHPSA-N 1 3 286.341 3.313 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414813953 295249069 /nfs/dbraw/zinc/24/90/69/295249069.db2.gz YVOZYRXLGSHGJU-QXSJWSMHSA-N 1 3 250.430 3.062 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)CN(C)C ZINC000425925377 298777332 /nfs/dbraw/zinc/77/73/32/298777332.db2.gz QZYGTFKNUCXXJF-CABCVRRESA-N 1 3 262.441 3.140 20 0 CGADHO C[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)CN(C)C ZINC000425925379 298788027 /nfs/dbraw/zinc/78/80/27/298788027.db2.gz QZYGTFKNUCXXJF-HUUCEWRRSA-N 1 3 262.441 3.140 20 0 CGADHO Cc1ccccc1[C@H](N[C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422835400 302199572 /nfs/dbraw/zinc/19/95/72/302199572.db2.gz ISHKTCZCWOWVJE-BBRMVZONSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000422835400 302199574 /nfs/dbraw/zinc/19/95/74/302199574.db2.gz ISHKTCZCWOWVJE-BBRMVZONSA-N 1 3 260.425 3.280 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCNc3ccccc32)CCCCC1 ZINC000333319577 303359760 /nfs/dbraw/zinc/35/97/60/303359760.db2.gz UGHZDISEVMDLMV-MRXNPFEDSA-N 1 3 273.424 3.185 20 0 CGADHO Cc1cc(CNCc2ccc(C[NH+](C)C)cc2)cs1 ZINC000449059084 533704769 /nfs/dbraw/zinc/70/47/69/533704769.db2.gz ACTSNUXMQUSEEE-UHFFFAOYSA-N 1 3 274.433 3.408 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000563777191 322009310 /nfs/dbraw/zinc/00/93/10/322009310.db2.gz DNWBRHGXVSIYRU-INIZCTEOSA-N 1 3 292.467 3.399 20 0 CGADHO C[C@H](CS[C@@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000564798741 322043332 /nfs/dbraw/zinc/04/33/32/322043332.db2.gz QTLLJDUJNDXMHF-NVXWUHKLSA-N 1 3 292.492 3.334 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565225938 322067664 /nfs/dbraw/zinc/06/76/64/322067664.db2.gz HKMBYWHPUGIGCA-CABCVRRESA-N 1 3 290.451 3.222 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000565435396 322078013 /nfs/dbraw/zinc/07/80/13/322078013.db2.gz VEARPTPRDZOOPD-HZPDHXFCSA-N 1 3 250.430 3.291 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000565435396 322078014 /nfs/dbraw/zinc/07/80/14/322078014.db2.gz VEARPTPRDZOOPD-HZPDHXFCSA-N 1 3 250.430 3.291 20 0 CGADHO C[NH+](C)[C@@H]1CCCN([C@@H]2C=CCCCCC2)CC1 ZINC000565435396 322078016 /nfs/dbraw/zinc/07/80/16/322078016.db2.gz VEARPTPRDZOOPD-HZPDHXFCSA-N 1 3 250.430 3.291 20 0 CGADHO CC[C@@H](Cc1ccccc1)N(CC)C[C@@]1(C)CC[NH2+]C1 ZINC000565834119 322093298 /nfs/dbraw/zinc/09/32/98/322093298.db2.gz YCKZDESGDMVMLH-ROUUACIJSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](NC1CCC(C[NH3+])CC1)c1nccn1-c1ccccc1 ZINC000566088799 322103782 /nfs/dbraw/zinc/10/37/82/322103782.db2.gz ORSAGQUKSXXQML-FHERZECASA-N 1 3 298.434 3.040 20 0 CGADHO CC[NH2+]CCCN[C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000567638853 322171654 /nfs/dbraw/zinc/17/16/54/322171654.db2.gz MHFSNUPPRXVTOW-HZPDHXFCSA-N 1 3 260.425 3.158 20 0 CGADHO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](CN)CC(C)C ZINC000567639140 322171581 /nfs/dbraw/zinc/17/15/81/322171581.db2.gz YJIXEFLHYCTISR-KBPBESRZSA-N 1 3 264.413 3.028 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000567639143 322171744 /nfs/dbraw/zinc/17/17/44/322171744.db2.gz YJIXEFLHYCTISR-ZIAGYGMSSA-N 1 3 264.413 3.028 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCSc2ccc(Cl)cc2)C1 ZINC000568107829 322193733 /nfs/dbraw/zinc/19/37/33/322193733.db2.gz ZMLYVIORZIOSKV-STQMWFEESA-N 1 3 284.856 3.292 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3ccccc32)cc1 ZINC000569577023 322250857 /nfs/dbraw/zinc/25/08/57/322250857.db2.gz VVDYJLZBUZPLDT-SFHVURJKSA-N 1 3 266.388 3.313 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000569684475 322254271 /nfs/dbraw/zinc/25/42/71/322254271.db2.gz CPUCJLLBHUWKHJ-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000570397627 322272599 /nfs/dbraw/zinc/27/25/99/322272599.db2.gz OZTOXMWKHNQNIG-GOSISDBHSA-N 1 3 284.378 3.452 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000570536273 322276126 /nfs/dbraw/zinc/27/61/26/322276126.db2.gz HMNJRHMRNQNUKN-PMPSAXMXSA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000570536273 322276127 /nfs/dbraw/zinc/27/61/27/322276127.db2.gz HMNJRHMRNQNUKN-PMPSAXMXSA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000570536273 322276128 /nfs/dbraw/zinc/27/61/28/322276128.db2.gz HMNJRHMRNQNUKN-PMPSAXMXSA-N 1 3 278.827 3.302 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000570696373 322279966 /nfs/dbraw/zinc/27/99/66/322279966.db2.gz LCLDZBZLBLLELL-RRFJBIMHSA-N 1 3 278.465 3.417 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000571394841 322297432 /nfs/dbraw/zinc/29/74/32/322297432.db2.gz POHUOXNHCPBNPY-IAOVAPTHSA-N 1 3 294.389 3.018 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000571394842 322297549 /nfs/dbraw/zinc/29/75/49/322297549.db2.gz POHUOXNHCPBNPY-KBRIMQKVSA-N 1 3 294.389 3.018 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000573593181 322395947 /nfs/dbraw/zinc/39/59/47/322395947.db2.gz FHAYUWOOALYSGJ-LSDHHAIUSA-N 1 3 278.440 3.165 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000573593181 322395951 /nfs/dbraw/zinc/39/59/51/322395951.db2.gz FHAYUWOOALYSGJ-LSDHHAIUSA-N 1 3 278.440 3.165 20 0 CGADHO CC[NH+](CC)CCCC1CCN(CC2(F)CC2)CC1 ZINC000573655815 322398866 /nfs/dbraw/zinc/39/88/66/322398866.db2.gz SJPXHXVLAJCADG-UHFFFAOYSA-N 1 3 270.436 3.323 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671751 322399969 /nfs/dbraw/zinc/39/99/69/322399969.db2.gz DCVYSTQFJWVYDB-KBPBESRZSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671751 322399972 /nfs/dbraw/zinc/39/99/72/322399972.db2.gz DCVYSTQFJWVYDB-KBPBESRZSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671751 322399974 /nfs/dbraw/zinc/39/99/74/322399974.db2.gz DCVYSTQFJWVYDB-KBPBESRZSA-N 1 3 296.405 3.388 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000397265986 329346652 /nfs/dbraw/zinc/34/66/52/329346652.db2.gz KIRFOHKGXBLEBP-FMKPAKJESA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000576822323 335251907 /nfs/dbraw/zinc/25/19/07/335251907.db2.gz BFGQSKADLMVSLU-HKUYNNGSSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000576822323 335251908 /nfs/dbraw/zinc/25/19/08/335251908.db2.gz BFGQSKADLMVSLU-HKUYNNGSSA-N 1 3 286.463 3.331 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000576983661 335273240 /nfs/dbraw/zinc/27/32/40/335273240.db2.gz FLKQEBBSFOGYPR-AWEZNQCLSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)CCc1ccc(F)cc1F ZINC000577214454 335323958 /nfs/dbraw/zinc/32/39/58/335323958.db2.gz UBNYIHUTNCNBCT-CYBMUJFWSA-N 1 3 284.394 3.264 20 0 CGADHO CCCC[C@@H](CC)C[NH+]1CCC(CO)(NCC2CC2)CC1 ZINC000577378161 335345181 /nfs/dbraw/zinc/34/51/81/335345181.db2.gz MLHXQUPDTDJQNI-MRXNPFEDSA-N 1 3 296.499 3.029 20 0 CGADHO C[C@@H](NCC[NH2+]C(C)(C)C)[C@@H]1CC2CCC1CC2 ZINC000382215573 336084794 /nfs/dbraw/zinc/08/47/94/336084794.db2.gz TVZHHPCBRMZFKU-URGYJCLVSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000581895144 336162516 /nfs/dbraw/zinc/16/25/16/336162516.db2.gz USCKMORHNZFGJY-JKSUJKDBSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000581895144 336162517 /nfs/dbraw/zinc/16/25/17/336162517.db2.gz USCKMORHNZFGJY-JKSUJKDBSA-N 1 3 260.425 3.132 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1ccc(Cl)o1 ZINC000387313707 336191323 /nfs/dbraw/zinc/19/13/23/336191323.db2.gz LOMLAODCVBYROW-UHFFFAOYSA-N 1 3 258.793 3.143 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423527677 533812613 /nfs/dbraw/zinc/81/26/13/533812613.db2.gz MKRZTEHOQNHRNI-KWCYVHTRSA-N 1 3 286.341 3.063 20 0 CGADHO C[C@H]([NH2+]CCCNC1CC1)C(C)(C)c1ccccc1 ZINC000423533557 533851843 /nfs/dbraw/zinc/85/18/43/533851843.db2.gz XVOCJUJVCOKRIN-AWEZNQCLSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1 ZINC000423359794 533925520 /nfs/dbraw/zinc/92/55/20/533925520.db2.gz PQADJIBYISKAGS-LBPRGKRZSA-N 1 3 270.351 3.280 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423382661 534006979 /nfs/dbraw/zinc/00/69/79/534006979.db2.gz DRPCSEJUUTVUFD-DOXZYTNZSA-N 1 3 295.430 3.397 20 0 CGADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1Cl ZINC000423496741 534011901 /nfs/dbraw/zinc/01/19/01/534011901.db2.gz XLMGHMTZTOVBTP-UMNHJUIQSA-N 1 3 270.779 3.257 20 0 CGADHO Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])c2ccccc12 ZINC000423173234 534078116 /nfs/dbraw/zinc/07/81/16/534078116.db2.gz XNPNKPQKGMUMEA-KGLIPLIRSA-N 1 3 256.393 3.364 20 0 CGADHO Cc1ccc2nccc(NCCCC[N@@H+](C)C3CC3)c2c1 ZINC000413348764 534373486 /nfs/dbraw/zinc/37/34/86/534373486.db2.gz PKIQRPSWTSENKT-UHFFFAOYSA-N 1 3 283.419 3.251 20 0 CGADHO Cc1ccc2nccc(NCCCC[N@H+](C)C3CC3)c2c1 ZINC000413348764 534373497 /nfs/dbraw/zinc/37/34/97/534373497.db2.gz PKIQRPSWTSENKT-UHFFFAOYSA-N 1 3 283.419 3.251 20 0 CGADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)cc1 ZINC000422815599 534481614 /nfs/dbraw/zinc/48/16/14/534481614.db2.gz XZONQDBGMXUQTN-JWTNVVGKSA-N 1 3 284.447 3.371 20 0 CGADHO CCOc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000088163760 521502077 /nfs/dbraw/zinc/50/20/77/521502077.db2.gz DTSZWVCUGUONPD-ALOPSCKCSA-N 1 3 288.435 3.190 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000157907199 523456176 /nfs/dbraw/zinc/45/61/76/523456176.db2.gz DGSBVPUSRSTWEF-JKSUJKDBSA-N 1 3 292.471 3.066 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000157907199 523456184 /nfs/dbraw/zinc/45/61/84/523456184.db2.gz DGSBVPUSRSTWEF-JKSUJKDBSA-N 1 3 292.471 3.066 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000157851665 523469808 /nfs/dbraw/zinc/46/98/08/523469808.db2.gz IWNDLBVKRGWIKP-HOTGVXAUSA-N 1 3 292.471 3.208 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000157851665 523469815 /nfs/dbraw/zinc/46/98/15/523469815.db2.gz IWNDLBVKRGWIKP-HOTGVXAUSA-N 1 3 292.471 3.208 20 0 CGADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423383660 526733534 /nfs/dbraw/zinc/73/35/34/526733534.db2.gz KNHFEHFLNJIQJQ-JKSUJKDBSA-N 1 3 258.409 3.204 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)O)CC1 ZINC000449148596 527646818 /nfs/dbraw/zinc/64/68/18/527646818.db2.gz KUUPOHZURVPJTE-UHFFFAOYSA-N 1 3 284.488 3.026 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC2CCOCC2)CC1 ZINC000449089222 527647318 /nfs/dbraw/zinc/64/73/18/527647318.db2.gz KFHIREQJIADXDH-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000449089222 527647324 /nfs/dbraw/zinc/64/73/24/527647324.db2.gz KFHIREQJIADXDH-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)(C)C[C@@H]([NH2+]C[C@H]1CNCCCO1)c1ccccc1 ZINC000423496759 527694135 /nfs/dbraw/zinc/69/41/35/527694135.db2.gz XNUXLHOSTYIAHD-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449089907 527814219 /nfs/dbraw/zinc/81/42/19/527814219.db2.gz LTTLASURRYZCDF-OAHLLOKOSA-N 1 3 298.430 3.280 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449203566 527975370 /nfs/dbraw/zinc/97/53/70/527975370.db2.gz HFOMAROBPZCXDW-RDJZCZTQSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449203566 527975376 /nfs/dbraw/zinc/97/53/76/527975376.db2.gz HFOMAROBPZCXDW-RDJZCZTQSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449203566 527975378 /nfs/dbraw/zinc/97/53/78/527975378.db2.gz HFOMAROBPZCXDW-RDJZCZTQSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@H](C)CN)cc1 ZINC000414876548 528210313 /nfs/dbraw/zinc/21/03/13/528210313.db2.gz LNIRHRNXBSBSJF-OLMNPRSZSA-N 1 3 290.451 3.294 20 0 CGADHO CCC[C@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449147031 528259224 /nfs/dbraw/zinc/25/92/24/528259224.db2.gz PDVTVCOEGZVBPU-INIZCTEOSA-N 1 3 298.515 3.416 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000131486804 528290566 /nfs/dbraw/zinc/29/05/66/528290566.db2.gz LYTOLFPFCVEZKI-UHFFFAOYSA-N 1 3 278.465 3.230 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000423536956 528314726 /nfs/dbraw/zinc/31/47/26/528314726.db2.gz BIRBLBVOZWORSF-REWJHTLYSA-N 1 3 293.480 3.305 20 0 CGADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC[C@H]1CC[NH2+]C1 ZINC000423254488 528473790 /nfs/dbraw/zinc/47/37/90/528473790.db2.gz YENQJEWLXFRPFT-CHWSQXEVSA-N 1 3 296.842 3.389 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423396374 528629802 /nfs/dbraw/zinc/62/98/02/528629802.db2.gz NTMWOOJVASOWAF-KEYYUXOJSA-N 1 3 260.425 3.288 20 0 CGADHO CC(C)[C@@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449140050 528633560 /nfs/dbraw/zinc/63/35/60/528633560.db2.gz HVGCJLCCJAPCKY-INIZCTEOSA-N 1 3 298.515 3.272 20 0 CGADHO CCCCOc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423315253 528690214 /nfs/dbraw/zinc/69/02/14/528690214.db2.gz ZJDMCSXJJQYQHT-KBPBESRZSA-N 1 3 264.413 3.111 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423291485 528953513 /nfs/dbraw/zinc/95/35/13/528953513.db2.gz ILUZQJYESUHNFL-KBMXLJTQSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423348511 529034856 /nfs/dbraw/zinc/03/48/56/529034856.db2.gz UCGLKNDUGTXQNT-ZWKOTPCHSA-N 1 3 274.452 3.233 20 0 CGADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423308210 529177199 /nfs/dbraw/zinc/17/71/99/529177199.db2.gz OHFFMBDCJJDXBQ-ZWNOBZJWSA-N 1 3 290.329 3.221 20 0 CGADHO CC[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000424369175 529181648 /nfs/dbraw/zinc/18/16/48/529181648.db2.gz CICFLMQGCAONPR-OAHLLOKOSA-N 1 3 279.428 3.056 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000423472832 529247819 /nfs/dbraw/zinc/24/78/19/529247819.db2.gz QJOSUJPVKVUVJM-AAEUAGOBSA-N 1 3 252.427 3.187 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423279485 529246878 /nfs/dbraw/zinc/24/68/78/529246878.db2.gz SAUQLMIHYKJHEG-DOMZBBRYSA-N 1 3 266.454 3.433 20 0 CGADHO COc1ccc([C@@H](C)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000469994382 536883331 /nfs/dbraw/zinc/88/33/31/536883331.db2.gz XHUMHZHPYAPZRO-JTUUTPGSSA-N 1 3 288.435 3.014 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1CCSc1ccc(F)cc1 ZINC000070150167 572351943 /nfs/dbraw/zinc/35/19/43/572351943.db2.gz OHSTVPINNGKYAP-CQSZACIVSA-N 1 3 282.428 3.121 20 0 CGADHO C[C@H]1CCCCN1C[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794438 572602946 /nfs/dbraw/zinc/60/29/46/572602946.db2.gz DFSPFBPIDLAWTP-JKSUJKDBSA-N 1 3 282.548 3.450 20 0 CGADHO C[C@H]1CCCCN1C[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794438 572602948 /nfs/dbraw/zinc/60/29/48/572602948.db2.gz DFSPFBPIDLAWTP-JKSUJKDBSA-N 1 3 282.548 3.450 20 0 CGADHO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000749922603 573059223 /nfs/dbraw/zinc/05/92/23/573059223.db2.gz BXCHDFSSFGBKRM-HUUCEWRRSA-N 1 3 290.451 3.151 20 0 CGADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1Cl ZINC000051919562 618666994 /nfs/dbraw/zinc/66/69/94/618666994.db2.gz QTSZZSHIKSMBPB-ZDUSSCGKSA-N 1 3 266.816 3.162 20 0 CGADHO COCC1(C[NH2+]C2CCN(CCC(C)C)CC2)CCCC1 ZINC000926550362 618734276 /nfs/dbraw/zinc/73/42/76/618734276.db2.gz DBRWKSTXZVUCKS-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO Fc1ccccc1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925508900 619002786 /nfs/dbraw/zinc/00/27/86/619002786.db2.gz JVBHSQPRYSKNJJ-AEFFLSMTSA-N 1 3 290.426 3.126 20 0 CGADHO Fc1ccccc1CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925508900 619002789 /nfs/dbraw/zinc/00/27/89/619002789.db2.gz JVBHSQPRYSKNJJ-AEFFLSMTSA-N 1 3 290.426 3.126 20 0 CGADHO CC(C)OC1CCC([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925623921 619094694 /nfs/dbraw/zinc/09/46/94/619094694.db2.gz VWFFJSJUDNSAMN-GADNRMJZSA-N 1 3 294.483 3.089 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2(CC3CC3)CC2)c2ccccc21 ZINC000925733336 619207846 /nfs/dbraw/zinc/20/78/46/619207846.db2.gz GZVDXUPQUFJMIQ-HOTGVXAUSA-N 1 3 256.393 3.301 20 0 CGADHO COCCCC1(C[NH2+]CC[C@@H](C)N2CCCCC2)CCC1 ZINC000893534487 619208093 /nfs/dbraw/zinc/20/80/93/619208093.db2.gz MTUFLSRWSDMFSL-QGZVFWFLSA-N 1 3 296.499 3.437 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925772887 619233732 /nfs/dbraw/zinc/23/37/32/619233732.db2.gz LDCYRPYIYCKIEL-YGTFVGLLSA-N 1 3 276.468 3.036 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(F)c1 ZINC000925775333 619238261 /nfs/dbraw/zinc/23/82/61/619238261.db2.gz FTXMVISAZSIYEO-JSGCOSHPSA-N 1 3 286.341 3.111 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776985 619239978 /nfs/dbraw/zinc/23/99/78/619239978.db2.gz BMGBDTHRYPYMFL-WBMJQRKESA-N 1 3 294.389 3.071 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)CN1CCCC1 ZINC000094372472 619244672 /nfs/dbraw/zinc/24/46/72/619244672.db2.gz OEBIZUQPOCXGAY-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925783959 619246659 /nfs/dbraw/zinc/24/66/59/619246659.db2.gz QAQITVOGULYGAB-SWLSCSKDSA-N 1 3 298.352 3.038 20 0 CGADHO FC(F)(F)SCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261575671 619289816 /nfs/dbraw/zinc/28/98/16/619289816.db2.gz ZULZMKQOOSBKAE-IJLUTSLNSA-N 1 3 296.402 3.140 20 0 CGADHO C[NH+]1CCC2(CCCN2CCc2ccc(F)c(F)c2)CC1 ZINC000893859009 619323113 /nfs/dbraw/zinc/32/31/13/619323113.db2.gz ULCXXIIFGHDENF-UHFFFAOYSA-N 1 3 294.389 3.068 20 0 CGADHO c1ccc2c(c1)ccnc2C[NH2+]C1CCN(C2CCC2)CC1 ZINC000894205371 619414552 /nfs/dbraw/zinc/41/45/52/619414552.db2.gz XVGFIOOYQRAOFN-UHFFFAOYSA-N 1 3 295.430 3.341 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895290241 619796921 /nfs/dbraw/zinc/79/69/21/619796921.db2.gz DODGWWYPMRGDND-LTCOOKNTSA-N 1 3 290.451 3.117 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCc1cccc(F)c1)N(C)C ZINC000895296560 619799440 /nfs/dbraw/zinc/79/94/40/619799440.db2.gz OZSYCUDURKDGED-UONOGXRCSA-N 1 3 266.404 3.077 20 0 CGADHO C[C@H](CC[NH2+]C1CCC(c2ccc(O)cc2)CC1)N(C)C ZINC000895297550 619800123 /nfs/dbraw/zinc/80/01/23/619800123.db2.gz YQODRNXOXJCQDT-HPUBIQBYSA-N 1 3 290.451 3.348 20 0 CGADHO COc1ccc2cc(CN3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2c1 ZINC000262552122 620206525 /nfs/dbraw/zinc/20/65/25/620206525.db2.gz SQEDIRJUPZNRHY-KSSFIOAISA-N 1 3 298.430 3.265 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000897982715 620462253 /nfs/dbraw/zinc/46/22/53/620462253.db2.gz PMNDVSZCCXVBJM-QLFBSQMISA-N 1 3 262.441 3.029 20 0 CGADHO [NH3+]CCCC[C@@H](N[C@@H]1C=CCC1)c1ccc(F)cc1F ZINC000902391620 621302010 /nfs/dbraw/zinc/30/20/10/621302010.db2.gz HLONYPSGZOCLNP-CZUORRHYSA-N 1 3 280.362 3.443 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902832225 621466043 /nfs/dbraw/zinc/46/60/43/621466043.db2.gz KJHJCDOFQDVAKK-HGTKMLMNSA-N 1 3 250.430 3.028 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000902832961 621467024 /nfs/dbraw/zinc/46/70/24/621467024.db2.gz SNRLAELVGBBIOH-FUHWJXTLSA-N 1 3 294.483 3.331 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000903059929 621549265 /nfs/dbraw/zinc/54/92/65/621549265.db2.gz XQFJPTKVXVSQLW-FGTMMUONSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000903059930 621549318 /nfs/dbraw/zinc/54/93/18/621549318.db2.gz XQFJPTKVXVSQLW-KZNAEPCWSA-N 1 3 294.483 3.046 20 0 CGADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cs1 ZINC000903061502 621550311 /nfs/dbraw/zinc/55/03/11/621550311.db2.gz FQTBMODVRPLNIE-VHRNVKJDSA-N 1 3 276.449 3.038 20 0 CGADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cs1 ZINC000903061502 621550316 /nfs/dbraw/zinc/55/03/16/621550316.db2.gz FQTBMODVRPLNIE-VHRNVKJDSA-N 1 3 276.449 3.038 20 0 CGADHO CC(C)c1ccc(CCNC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956437 621842927 /nfs/dbraw/zinc/84/29/27/621842927.db2.gz LTURFSXMRNIHJD-INIZCTEOSA-N 1 3 296.405 3.187 20 0 CGADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904322052 621906193 /nfs/dbraw/zinc/90/61/93/621906193.db2.gz NINDYLDMWGDDGB-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904322052 621906195 /nfs/dbraw/zinc/90/61/95/621906195.db2.gz NINDYLDMWGDDGB-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO CCOc1cccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000158168798 623010242 /nfs/dbraw/zinc/01/02/42/623010242.db2.gz ORPFMUOHPRTNEH-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1cccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000158168798 623010253 /nfs/dbraw/zinc/01/02/53/623010253.db2.gz ORPFMUOHPRTNEH-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000068635338 624744159 /nfs/dbraw/zinc/74/41/59/624744159.db2.gz BPUHOCPUJJFOBE-IYXRBSQSSA-N 1 3 292.389 3.427 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000921688721 625839682 /nfs/dbraw/zinc/83/96/82/625839682.db2.gz CLGYTBUJCWNAQY-ARFHVFGLSA-N 1 3 284.513 3.371 20 0 CGADHO C[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCCCO1 ZINC000922815099 626050273 /nfs/dbraw/zinc/05/02/73/626050273.db2.gz DTSVCMGESROCPP-GOSISDBHSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCO1 ZINC000922815099 626050276 /nfs/dbraw/zinc/05/02/76/626050276.db2.gz DTSVCMGESROCPP-GOSISDBHSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502313 626158491 /nfs/dbraw/zinc/15/84/91/626158491.db2.gz WIVYFMPJUPAWAJ-IIAWOOMASA-N 1 3 299.418 3.319 20 0 CGADHO CC[C@H](CN[C@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871623 627230977 /nfs/dbraw/zinc/23/09/77/627230977.db2.gz XZBIJPXXTANXMK-AEFFLSMTSA-N 1 3 272.436 3.446 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000773070560 627850359 /nfs/dbraw/zinc/85/03/59/627850359.db2.gz XRVZLHKIYKBNKG-RDJZCZTQSA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000773070560 627850361 /nfs/dbraw/zinc/85/03/61/627850361.db2.gz XRVZLHKIYKBNKG-RDJZCZTQSA-N 1 3 260.425 3.123 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNc2ccnc3cc(OC)ccc32)C1 ZINC000774515660 627999720 /nfs/dbraw/zinc/99/97/20/627999720.db2.gz CETCPHPSDMMMFM-AWEZNQCLSA-N 1 3 299.418 3.387 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNc2ccnc3cc(OC)ccc32)C1 ZINC000774515660 627999726 /nfs/dbraw/zinc/99/97/26/627999726.db2.gz CETCPHPSDMMMFM-AWEZNQCLSA-N 1 3 299.418 3.387 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630299 628115684 /nfs/dbraw/zinc/11/56/84/628115684.db2.gz YPMNYCUHTPBMAI-KBPBESRZSA-N 1 3 271.408 3.160 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630299 628115688 /nfs/dbraw/zinc/11/56/88/628115688.db2.gz YPMNYCUHTPBMAI-KBPBESRZSA-N 1 3 271.408 3.160 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1CCCCC1)c1ccccn1 ZINC000781902680 628604339 /nfs/dbraw/zinc/60/43/39/628604339.db2.gz IIXSRQDJKSWWBF-QGZVFWFLSA-N 1 3 275.440 3.244 20 0 CGADHO Cc1cccc(NCCNc2cc[nH+]c3c(O)cccc23)n1 ZINC000795095362 629631161 /nfs/dbraw/zinc/63/11/61/629631161.db2.gz KURRMCRKCSNYEP-UHFFFAOYSA-N 1 3 294.358 3.168 20 0 CGADHO C[NH+](C)Cc1ccc(-c2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000863691598 629648791 /nfs/dbraw/zinc/64/87/91/629648791.db2.gz IGSUPTUHYNHWRO-IBGZPJMESA-N 1 3 296.414 3.076 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925493494 629938329 /nfs/dbraw/zinc/93/83/29/629938329.db2.gz XVNGRQTYPXEBGI-BHIYHBOVSA-N 1 3 284.447 3.084 20 0 CGADHO COc1ccc2c(c1)nccc2N(C)CCC[NH+]1CCCC1 ZINC000798403977 630053549 /nfs/dbraw/zinc/05/35/49/630053549.db2.gz JTKKBLQCFJNHCG-UHFFFAOYSA-N 1 3 299.418 3.166 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000815578747 631799408 /nfs/dbraw/zinc/79/94/08/631799408.db2.gz VMYLHBMIFXIYDM-KBPBESRZSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000815578747 631799415 /nfs/dbraw/zinc/79/94/15/631799415.db2.gz VMYLHBMIFXIYDM-KBPBESRZSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000815583480 631800386 /nfs/dbraw/zinc/80/03/86/631800386.db2.gz HEGCTHZODXBNMS-VNHYZAJKSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000815583480 631800387 /nfs/dbraw/zinc/80/03/87/631800387.db2.gz HEGCTHZODXBNMS-VNHYZAJKSA-N 1 3 264.388 3.267 20 0 CGADHO CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817892035 632230663 /nfs/dbraw/zinc/23/06/63/632230663.db2.gz JBOAUNRDQPAHIO-QWHCGFSZSA-N 1 3 263.429 3.468 20 0 CGADHO CC[C@@H](NCC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817937819 632237636 /nfs/dbraw/zinc/23/76/36/632237636.db2.gz XXCJZBQJEAHVSI-WOPDTQHZSA-N 1 3 279.255 3.081 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000817970560 632264823 /nfs/dbraw/zinc/26/48/23/632264823.db2.gz ZYUSPCMNJQDDGX-UBHSHLNASA-N 1 3 250.361 3.055 20 0 CGADHO c1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820805087 632678575 /nfs/dbraw/zinc/67/85/75/632678575.db2.gz FKTHZGVFVZFEAH-LQDVMPOASA-N 1 3 276.449 3.038 20 0 CGADHO c1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820805087 632678586 /nfs/dbraw/zinc/67/85/86/632678586.db2.gz FKTHZGVFVZFEAH-LQDVMPOASA-N 1 3 276.449 3.038 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3c(F)cccc32)C1 ZINC000866236247 633038336 /nfs/dbraw/zinc/03/83/36/633038336.db2.gz AVRZIAUPSCWHQT-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO C[NH+](C)C1(C)CCC(N[C@H]2CCCc3scnc32)CC1 ZINC000866516512 633171374 /nfs/dbraw/zinc/17/13/74/633171374.db2.gz AZPNZAQOIITHMZ-UYJPIKCFSA-N 1 3 293.480 3.373 20 0 CGADHO CC[NH+]1CCC(CCNCc2ccnc(Cl)c2F)CC1 ZINC000823944084 633171376 /nfs/dbraw/zinc/17/13/76/633171376.db2.gz SPTMLSTXXFMSEV-UHFFFAOYSA-N 1 3 299.821 3.086 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cnc3ccccc3c2)C1 ZINC000866706022 633234621 /nfs/dbraw/zinc/23/46/21/633234621.db2.gz FBIPTGJOABUXAU-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cc(C(F)(F)F)co1 ZINC000872157225 634067565 /nfs/dbraw/zinc/06/75/65/634067565.db2.gz NRZBMIORNJEDHG-UHFFFAOYSA-N 1 3 278.318 3.249 20 0 CGADHO Cc1nocc1CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158299 634069566 /nfs/dbraw/zinc/06/95/66/634069566.db2.gz UUKRWRVIVCRFPB-PBHICJAKSA-N 1 3 291.439 3.103 20 0 CGADHO CC1([NH2+]Cc2cc3c(s2)CCNC3)Cc2ccccc2C1 ZINC000873207103 634285689 /nfs/dbraw/zinc/28/56/89/634285689.db2.gz QNVLOOCKMQPNOI-UHFFFAOYSA-N 1 3 298.455 3.041 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCCC[C@H]1CN)C(F)(F)F ZINC000873247110 634299151 /nfs/dbraw/zinc/29/91/51/634299151.db2.gz ILIGQDYXXVCRTK-NWDGAFQWSA-N 1 3 280.378 3.462 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)C(C)(F)F ZINC000873249985 634301504 /nfs/dbraw/zinc/30/15/04/634301504.db2.gz DRYRPFMLYKBEQS-OCCSQVGLSA-N 1 3 284.394 3.216 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942909 634933610 /nfs/dbraw/zinc/93/36/10/634933610.db2.gz ILOXLVJTGYMWJW-OWCLPIDISA-N 1 3 294.483 3.044 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531753 635075048 /nfs/dbraw/zinc/07/50/48/635075048.db2.gz QYVLDYYFFRDFKR-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531753 635075057 /nfs/dbraw/zinc/07/50/57/635075057.db2.gz QYVLDYYFFRDFKR-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO Cc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)cnc1Cl ZINC000841028956 635109345 /nfs/dbraw/zinc/10/93/45/635109345.db2.gz JKOXLIULWFWTQH-GFCCVEGCSA-N 1 3 289.810 3.353 20 0 CGADHO [NH3+]CCc1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000841035037 635111377 /nfs/dbraw/zinc/11/13/77/635111377.db2.gz IINGPHGSTIDNQG-UHFFFAOYSA-N 1 3 274.795 3.131 20 0 CGADHO Fc1ccc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843062447 635555067 /nfs/dbraw/zinc/55/50/67/635555067.db2.gz JNCOVHDDNIHKTD-CQSZACIVSA-N 1 3 276.399 3.005 20 0 CGADHO Cc1cccc(NC(=[NH2+])NCC2(N(C)C)CCCCC2)c1 ZINC000848981090 636702638 /nfs/dbraw/zinc/70/26/38/636702638.db2.gz IPMHNWXWGSFHJJ-UHFFFAOYSA-N 1 3 288.439 3.196 20 0 CGADHO CCc1cccc(NC(=[NH2+])NCCN2CCCC2(C)C)c1 ZINC000849039217 636727630 /nfs/dbraw/zinc/72/76/30/636727630.db2.gz NXMOLSCXKHPLHE-UHFFFAOYSA-N 1 3 288.439 3.060 20 0 CGADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883430051 636753161 /nfs/dbraw/zinc/75/31/61/636753161.db2.gz MEFGCRXINVQBTP-ULQDDVLXSA-N 1 3 290.451 3.260 20 0 CGADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883430052 636753453 /nfs/dbraw/zinc/75/34/53/636753453.db2.gz MEFGCRXINVQBTP-ZACQAIPSSA-N 1 3 290.451 3.260 20 0 CGADHO N[C@H]1CCCCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883437847 636756784 /nfs/dbraw/zinc/75/67/84/636756784.db2.gz CJJLGKAMROHITN-STQMWFEESA-N 1 3 260.372 3.015 20 0 CGADHO N[C@H]1CCCCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883437847 636756789 /nfs/dbraw/zinc/75/67/89/636756789.db2.gz CJJLGKAMROHITN-STQMWFEESA-N 1 3 260.372 3.015 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2ccsc2)c2ccccc21 ZINC000132054483 636778427 /nfs/dbraw/zinc/77/84/27/636778427.db2.gz YYFXGLVVAYDUFY-LSDHHAIUSA-N 1 3 258.390 3.025 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H](N(C)C)C3)cc21 ZINC000850173148 636972743 /nfs/dbraw/zinc/97/27/43/636972743.db2.gz IAXOTVSFWVJRMO-GDBMZVCRSA-N 1 3 285.435 3.439 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCN1C ZINC000850539572 637113965 /nfs/dbraw/zinc/11/39/65/637113965.db2.gz DIEMFOBJDPPYPM-ROUUACIJSA-N 1 3 274.452 3.328 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885953690 637329654 /nfs/dbraw/zinc/32/96/54/637329654.db2.gz CWWWPTQUXBWXIT-OUOZUETKSA-N 1 3 276.399 3.160 20 0 CGADHO Cc1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)n1 ZINC000852752812 637706661 /nfs/dbraw/zinc/70/66/61/637706661.db2.gz MMDNUMIRTSYDRL-ZDUSSCGKSA-N 1 3 293.842 3.007 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H](C)C2CC2)CC1 ZINC000924829943 638410420 /nfs/dbraw/zinc/41/04/20/638410420.db2.gz XWQFRQBTLOOOGP-CQSZACIVSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](NCCCCCCC[NH+]1CCCC1)c1cn(C)cn1 ZINC000924959173 638431808 /nfs/dbraw/zinc/43/18/08/638431808.db2.gz TXIHOMVJMABDOG-INIZCTEOSA-N 1 3 292.471 3.117 20 0 CGADHO CC(C)(C)CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925586548 638537429 /nfs/dbraw/zinc/53/74/29/638537429.db2.gz ZNQZAJXNOSUAGP-GJZGRUSLSA-N 1 3 252.446 3.181 20 0 CGADHO CCSc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000925732535 638586740 /nfs/dbraw/zinc/58/67/40/638586740.db2.gz PJFUDEZIEQVKEG-RYUDHWBXSA-N 1 3 252.427 3.014 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000925741021 638593316 /nfs/dbraw/zinc/59/33/16/638593316.db2.gz NAXLIFBUZQGJQO-JTQLQIEISA-N 1 3 272.339 3.066 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H]1c2ccccc2CC[C@@H]1F ZINC000925770304 638604814 /nfs/dbraw/zinc/60/48/14/638604814.db2.gz JGWRLXJBGMOTTK-KCXAZCMYSA-N 1 3 264.388 3.119 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)c2ccccc21 ZINC000925776725 638608022 /nfs/dbraw/zinc/60/80/22/638608022.db2.gz ZYCIVGSOEPKEPN-XKQJLSEDSA-N 1 3 286.419 3.070 20 0 CGADHO Cc1ccc(OC[C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858115791 638635652 /nfs/dbraw/zinc/63/56/52/638635652.db2.gz LZHHQJAMAKRKHG-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(OC[C@@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115791 638635659 /nfs/dbraw/zinc/63/56/59/638635659.db2.gz LZHHQJAMAKRKHG-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO CCN(C)c1ccccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000858131526 638639358 /nfs/dbraw/zinc/63/93/58/638639358.db2.gz XXAJYLXKDFSUNR-INIZCTEOSA-N 1 3 289.467 3.105 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000926587552 638788339 /nfs/dbraw/zinc/78/83/39/638788339.db2.gz NEMJLANWNHCQHW-HZPDHXFCSA-N 1 3 270.436 3.367 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000926897260 638822757 /nfs/dbraw/zinc/82/27/57/638822757.db2.gz HEGCTHZODXBNMS-GUTXKFCHSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926897260 638822758 /nfs/dbraw/zinc/82/27/58/638822758.db2.gz HEGCTHZODXBNMS-GUTXKFCHSA-N 1 3 264.388 3.267 20 0 CGADHO COC[C@@H](C[NH2+]C1CCN(CCC(C)C)CC1)C(C)C ZINC000927095936 638841145 /nfs/dbraw/zinc/84/11/45/638841145.db2.gz SIZFLJHEQGXFJY-MRXNPFEDSA-N 1 3 284.488 3.005 20 0 CGADHO FC1(F)[C@@H]2C[C@@H](CN3CC[C@@H](C[NH+]4CCCCC4)C3)C[C@@H]21 ZINC000929719317 638944758 /nfs/dbraw/zinc/94/47/58/638944758.db2.gz NJOBQWHKKMSBNT-YHUYYLMFSA-N 1 3 298.421 3.086 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000929998716 638967750 /nfs/dbraw/zinc/96/77/50/638967750.db2.gz GAIZRSOALHZWBK-ZACQAIPSSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000929998716 638967752 /nfs/dbraw/zinc/96/77/52/638967752.db2.gz GAIZRSOALHZWBK-ZACQAIPSSA-N 1 3 294.483 3.140 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000093215970 640761509 /nfs/dbraw/zinc/76/15/09/640761509.db2.gz MCBAEONAQKFKOT-QWHCGFSZSA-N 1 3 272.314 3.065 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])c(C)s1 ZINC000251094197 640820656 /nfs/dbraw/zinc/82/06/56/640820656.db2.gz YYYKMVUIORPXKE-JKOKRWQUSA-N 1 3 252.427 3.143 20 0 CGADHO CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252858388 640865545 /nfs/dbraw/zinc/86/55/45/640865545.db2.gz LVUOIJLGPUVDOU-RYQLBKOJSA-N 1 3 288.435 3.033 20 0 CGADHO CC[C@@H](C)C[C@H](C)Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157888878 805897718 /nfs/dbraw/zinc/89/77/18/805897718.db2.gz QSJAXPQJYZRUJB-KGLIPLIRSA-N 1 3 290.455 3.246 20 0 CGADHO CC[C@H](C)C[C@H](C)Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157888876 805898138 /nfs/dbraw/zinc/89/81/38/805898138.db2.gz QSJAXPQJYZRUJB-KBPBESRZSA-N 1 3 290.455 3.246 20 0 CGADHO CCN(CC)C[C@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC001253206941 806182874 /nfs/dbraw/zinc/18/28/74/806182874.db2.gz UMTULCBUTRGWGX-IAGOWNOFSA-N 1 3 292.467 3.066 20 0 CGADHO [NH3+]C1(CC2CC2)CCN(C2CCC(F)(F)CC2)CC1 ZINC001254214369 806367035 /nfs/dbraw/zinc/36/70/35/806367035.db2.gz MVAJRAGVQNVTQF-UHFFFAOYSA-N 1 3 272.383 3.158 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(C2CCC(F)(F)CC2)CC1 ZINC001254229514 806374284 /nfs/dbraw/zinc/37/42/84/806374284.db2.gz KXCQPGUXBCMWRU-UHFFFAOYSA-N 1 3 295.377 3.090 20 0 CGADHO C[N@@H+]1CCC[C@H](NC(C)(C)c2cccc(F)c2)CC1 ZINC001254506088 806424868 /nfs/dbraw/zinc/42/48/68/806424868.db2.gz PBDNDHQHNFCCEE-HNNXBMFYSA-N 1 3 264.388 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](NC(C)(C)c2cccc(F)c2)CC1 ZINC001254506088 806424874 /nfs/dbraw/zinc/42/48/74/806424874.db2.gz PBDNDHQHNFCCEE-HNNXBMFYSA-N 1 3 264.388 3.135 20 0 CGADHO C[C@@H]1CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135942 806551907 /nfs/dbraw/zinc/55/19/07/806551907.db2.gz GKGJOSUMMFZBKE-BGTYHANMSA-N 1 3 270.420 3.276 20 0 CGADHO C[C@@H]1CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135942 806551911 /nfs/dbraw/zinc/55/19/11/806551911.db2.gz GKGJOSUMMFZBKE-BGTYHANMSA-N 1 3 270.420 3.276 20 0 CGADHO CCCC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001255317900 806609477 /nfs/dbraw/zinc/60/94/77/806609477.db2.gz UXJAHWOJDZLXNQ-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO FCC1([NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255381990 806630184 /nfs/dbraw/zinc/63/01/84/806630184.db2.gz RFEWTVKPKRECLT-MRXNPFEDSA-N 1 3 276.399 3.133 20 0 CGADHO CCC[N@H+](CCCN)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689276 806706599 /nfs/dbraw/zinc/70/65/99/806706599.db2.gz IXUGJOZZBUMLJB-NWDGAFQWSA-N 1 3 266.351 3.168 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689276 806706605 /nfs/dbraw/zinc/70/66/05/806706605.db2.gz IXUGJOZZBUMLJB-NWDGAFQWSA-N 1 3 266.351 3.168 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC000315751895 799238525 /nfs/dbraw/zinc/23/85/25/799238525.db2.gz GRUJXUHSEIHOHH-CABCVRRESA-N 1 3 298.430 3.408 20 0 CGADHO C[C@H]1CC([N@@H+]2CCC3(C2)CCCCC3)C[C@H](C)N1 ZINC000381112912 799372308 /nfs/dbraw/zinc/37/23/08/799372308.db2.gz VAYBCRLSJILUGI-KBPBESRZSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CC([N@H+]2CCC3(C2)CCCCC3)C[C@H](C)N1 ZINC000381112912 799372315 /nfs/dbraw/zinc/37/23/15/799372315.db2.gz VAYBCRLSJILUGI-KBPBESRZSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000381951870 799391327 /nfs/dbraw/zinc/39/13/27/799391327.db2.gz CWVRRDKVHOXYDA-ZGRYLRDCSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)CN1CCCCC1 ZINC000382048022 799392413 /nfs/dbraw/zinc/39/24/13/799392413.db2.gz VUGJTZJGOXHQII-RDHHWEPZSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)CN(C)C ZINC000386431792 799436123 /nfs/dbraw/zinc/43/61/23/799436123.db2.gz BGCAWVAWSPHHNV-KLHDSHLOSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)CN1CCCCC1 ZINC000403665979 799569829 /nfs/dbraw/zinc/56/98/29/799569829.db2.gz MVKWWPIYQQFMNF-WZYMTQMTSA-N 1 3 282.497 3.125 20 0 CGADHO Cc1cccc(CN(C)Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000688009014 799743703 /nfs/dbraw/zinc/74/37/03/799743703.db2.gz ZLZXBYFMXJJBPQ-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1cccs1 ZINC001255943206 806791503 /nfs/dbraw/zinc/79/15/03/806791503.db2.gz KHMXHJILMXUGNZ-CQSZACIVSA-N 1 3 268.470 3.391 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001255945369 806791776 /nfs/dbraw/zinc/79/17/76/806791776.db2.gz KRFMGEBSAYEWHP-BZUAXINKSA-N 1 3 284.488 3.026 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCCc1ccccn1 ZINC001255946979 806793047 /nfs/dbraw/zinc/79/30/47/806793047.db2.gz LRKRAIVBVKZOPP-MRXNPFEDSA-N 1 3 277.456 3.114 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC(C)(C)C2)CC(C)(C)C1 ZINC000708331072 799985506 /nfs/dbraw/zinc/98/55/06/799985506.db2.gz SSTQRWRGHRGHRW-RDBSUJKOSA-N 1 3 252.446 3.321 20 0 CGADHO C([C@@H]1CCCCN1)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708762657 799994336 /nfs/dbraw/zinc/99/43/36/799994336.db2.gz AOCMWXOQTCOLDI-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@@H]1CCCCN1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708762657 799994341 /nfs/dbraw/zinc/99/43/41/799994341.db2.gz AOCMWXOQTCOLDI-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@]12C[C@@H]1CCCC2 ZINC000709171313 800004387 /nfs/dbraw/zinc/00/43/87/800004387.db2.gz QVLXRTPYYZDDTI-YHUYYLMFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3ccccc3)C1)[NH2+]2 ZINC000709480495 800009495 /nfs/dbraw/zinc/00/94/95/800009495.db2.gz STSPOKBNTAZCNF-CODHVRLYSA-N 1 3 270.420 3.051 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1(CC2CC2)CCOCC1 ZINC001255953546 806796860 /nfs/dbraw/zinc/79/68/60/806796860.db2.gz SJODEAOVIZUCKC-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001255953108 806797210 /nfs/dbraw/zinc/79/72/10/806797210.db2.gz WXFJJICHAWRZDY-HUUCEWRRSA-N 1 3 278.440 3.033 20 0 CGADHO CC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716709691 800179182 /nfs/dbraw/zinc/17/91/82/800179182.db2.gz CPTWEKNWMGTHPD-UBDQQSCGSA-N 1 3 272.436 3.428 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723563950 800330371 /nfs/dbraw/zinc/33/03/71/800330371.db2.gz BQACMUXEYAXBAI-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575817 807208550 /nfs/dbraw/zinc/20/85/50/807208550.db2.gz IDVSDBHWOLIHFI-HUUCEWRRSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575817 807208554 /nfs/dbraw/zinc/20/85/54/807208554.db2.gz IDVSDBHWOLIHFI-HUUCEWRRSA-N 1 3 254.462 3.332 20 0 CGADHO CCCCN(CC)CC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256899754 807003146 /nfs/dbraw/zinc/00/31/46/807003146.db2.gz WBUHBNZKCKZYIQ-KRWDZBQOSA-N 1 3 295.515 3.105 20 0 CGADHO Cc1onc(-c2ccccc2)c1CN1CCC[C@](C)([NH3+])CC1 ZINC001205280540 812928469 /nfs/dbraw/zinc/92/84/69/812928469.db2.gz BUWDVAAAUCHGHW-SFHVURJKSA-N 1 3 299.418 3.353 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137378936 803726208 /nfs/dbraw/zinc/72/62/08/803726208.db2.gz HXQVLNLITMUPGM-UHFFFAOYSA-N 1 3 279.472 3.476 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137378936 803726211 /nfs/dbraw/zinc/72/62/11/803726211.db2.gz HXQVLNLITMUPGM-UHFFFAOYSA-N 1 3 279.472 3.476 20 0 CGADHO C1CCC2(CC1)CCC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246073694 804112238 /nfs/dbraw/zinc/11/22/38/804112238.db2.gz YVXCUMQOTYQFHM-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246076948 804114413 /nfs/dbraw/zinc/11/44/13/804114413.db2.gz QLXGROMYGNQGDE-NEPJUHHUSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)[NH2+]CC1(N)CCCC1 ZINC001246075103 804114558 /nfs/dbraw/zinc/11/45/58/804114558.db2.gz HSDRNFUJEHDSGK-GFCCVEGCSA-N 1 3 282.428 3.167 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@@H]1CC[NH2+][C@@H]1C ZINC001246094615 804126863 /nfs/dbraw/zinc/12/68/63/804126863.db2.gz WCOXJHGCBITOER-UPJWGTAASA-N 1 3 298.883 3.408 20 0 CGADHO c1ccc(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246097710 804130082 /nfs/dbraw/zinc/13/00/82/804130082.db2.gz MFVRISLNUUBBJB-PMACEKPBSA-N 1 3 294.442 3.182 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+]C[C@@]1(O)CCCCNC1 ZINC001246099385 804131690 /nfs/dbraw/zinc/13/16/90/804131690.db2.gz UFNBNBDKMKQYAA-DLBZAZTESA-N 1 3 284.488 3.220 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246102504 804135735 /nfs/dbraw/zinc/13/57/35/804135735.db2.gz PMTAIHYTPYFEAN-KBAYOESNSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@]1(CN[C@H]2CSc3ccccc3C2)CCCC[NH2+]C1 ZINC001246102129 804136078 /nfs/dbraw/zinc/13/60/78/804136078.db2.gz RFSAFJBIOVNNDA-WBVHZDCISA-N 1 3 290.476 3.073 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246108877 804141781 /nfs/dbraw/zinc/14/17/81/804141781.db2.gz HCMSTTMNBXCHQS-BPQIPLTHSA-N 1 3 274.452 3.374 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)[NH2+]C3CC(N)C3)ccc2c1 ZINC001246112376 804143006 /nfs/dbraw/zinc/14/30/06/804143006.db2.gz NVZQTDRKVHPIMR-NLNFPOJYSA-N 1 3 298.430 3.249 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)NC3CC([NH3+])C3)ccc2c1 ZINC001246112376 804143012 /nfs/dbraw/zinc/14/30/12/804143012.db2.gz NVZQTDRKVHPIMR-NLNFPOJYSA-N 1 3 298.430 3.249 20 0 CGADHO CCCC[C@H](CCC)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246111806 804143448 /nfs/dbraw/zinc/14/34/48/804143448.db2.gz JSKCAHPSJCVICW-GJZGRUSLSA-N 1 3 258.425 3.417 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001246112852 804144997 /nfs/dbraw/zinc/14/49/97/804144997.db2.gz OWXCSHZFEDCNCZ-PMPSAXMXSA-N 1 3 292.492 3.311 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)CCN1 ZINC001246117626 804150233 /nfs/dbraw/zinc/15/02/33/804150233.db2.gz SAMASVQERGGFHC-KLHDSHLOSA-N 1 3 252.446 3.466 20 0 CGADHO C[NH2+]CC[C@@H](C)NCCc1c(Cl)cccc1Cl ZINC001246158082 804174575 /nfs/dbraw/zinc/17/45/75/804174575.db2.gz FWIATVOHKSSONQ-SNVBAGLBSA-N 1 3 275.223 3.124 20 0 CGADHO Cc1ccccc1OCCCN[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246173126 804188159 /nfs/dbraw/zinc/18/81/59/804188159.db2.gz ZTQVZJGWTVCXLM-IRXDYDNUSA-N 1 3 290.451 3.130 20 0 CGADHO C[C@H]1CC([NH2+]CCCOc2cccc(Cl)c2)C[C@H](C)N1 ZINC001246174190 804189718 /nfs/dbraw/zinc/18/97/18/804189718.db2.gz JBXZZUZMAOUJFM-STQMWFEESA-N 1 3 296.842 3.228 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001246175696 804190549 /nfs/dbraw/zinc/19/05/49/804190549.db2.gz MMOBNHRKSAEKGX-VCTAVGKDSA-N 1 3 284.806 3.270 20 0 CGADHO CC[C@@H]1C[C@@H](NCCSCc2ccco2)C[C@H](CC)[NH2+]1 ZINC001246178877 804192749 /nfs/dbraw/zinc/19/27/49/804192749.db2.gz KNRVYLOAANYOJG-QDMKHBRRSA-N 1 3 296.480 3.412 20 0 CGADHO C[C@@H]1CC([NH2+]CCCOc2ccc(Cl)cc2)C[C@@H](C)N1 ZINC001246180020 804194175 /nfs/dbraw/zinc/19/41/75/804194175.db2.gz OHQSZSGKUFAKKI-CHWSQXEVSA-N 1 3 296.842 3.228 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246192528 804201777 /nfs/dbraw/zinc/20/17/77/804201777.db2.gz SNUKILOEOJJOHR-TZHQNVRVSA-N 1 3 276.468 3.321 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246209268 804208493 /nfs/dbraw/zinc/20/84/93/804208493.db2.gz GQJAIVAJCYMUET-NCOADZHNSA-N 1 3 272.436 3.299 20 0 CGADHO F[C@@H]1CCNC[C@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246223233 804217556 /nfs/dbraw/zinc/21/75/56/804217556.db2.gz QVCLCWDXKXNJNS-GOEBONIOSA-N 1 3 282.447 3.417 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246229966 804224189 /nfs/dbraw/zinc/22/41/89/804224189.db2.gz NTAWDJMCMSPNGE-QRJUGERDSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CCN1 ZINC001246239188 804232160 /nfs/dbraw/zinc/23/21/60/804232160.db2.gz HLMSBQVJBSDTMA-ZQDZILKHSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255811 804241366 /nfs/dbraw/zinc/24/13/66/804241366.db2.gz CNAXNYBBLSFEKF-CVEARBPZSA-N 1 3 280.843 3.393 20 0 CGADHO CCC[NH2+]CCNC1CCC2(CCc3ccccc32)CC1 ZINC001246269872 804247645 /nfs/dbraw/zinc/24/76/45/804247645.db2.gz MRBOTLQBPUJZDQ-UHFFFAOYSA-N 1 3 286.463 3.402 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273912 804249661 /nfs/dbraw/zinc/24/96/61/804249661.db2.gz SIENKWUAVKXZBT-WQVCFCJDSA-N 1 3 280.843 3.391 20 0 CGADHO CCCCCC[C@@H](C)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246323430 804280119 /nfs/dbraw/zinc/28/01/19/804280119.db2.gz DVFZYYAKZAGFIH-OAHLLOKOSA-N 1 3 298.471 3.010 20 0 CGADHO CCCCCC[C@@H](C)NC1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246323430 804280126 /nfs/dbraw/zinc/28/01/26/804280126.db2.gz DVFZYYAKZAGFIH-OAHLLOKOSA-N 1 3 298.471 3.010 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246321090 804280797 /nfs/dbraw/zinc/28/07/97/804280797.db2.gz BQRJUXOIRSGKFU-ZSHCYNCHSA-N 1 3 296.405 3.406 20 0 CGADHO C[C@@H]1CC([NH2+]CCCC2CCCCC2)C[C@@H](C)N1 ZINC001246325293 804282111 /nfs/dbraw/zinc/28/21/11/804282111.db2.gz IVKGSTQKZAIQJL-ZIAGYGMSSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC001246332051 804287571 /nfs/dbraw/zinc/28/75/71/804287571.db2.gz PHZOHSUTACKZJA-JQHSSLGASA-N 1 3 274.452 3.231 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246346793 804297927 /nfs/dbraw/zinc/29/79/27/804297927.db2.gz JAIBHHDPRJXRHE-ZIAGYGMSSA-N 1 3 284.806 3.142 20 0 CGADHO CC(C)([NH2+][C@H]1CCNC(C)(C)C1)C1CCCCC1 ZINC001246351782 804300036 /nfs/dbraw/zinc/30/00/36/804300036.db2.gz IMDGILGBZJPJJW-AWEZNQCLSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C(C)(C)C2CCCCC2)CCN1 ZINC001246357138 804301694 /nfs/dbraw/zinc/30/16/94/804301694.db2.gz WPQGYWQQWATBIM-GJZGRUSLSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CCCc2cccc(N)c2)CCN1 ZINC001246358205 804303807 /nfs/dbraw/zinc/30/38/07/804303807.db2.gz YOMVYGQEEQLCRS-ROUUACIJSA-N 1 3 289.467 3.102 20 0 CGADHO CCC1([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CCNCC1 ZINC001246423384 804327206 /nfs/dbraw/zinc/32/72/06/804327206.db2.gz ITYIOCIOUPACKS-ZDUSSCGKSA-N 1 3 280.843 3.393 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+]C2(CC)CCNCC2)cc1 ZINC001246425512 804329502 /nfs/dbraw/zinc/32/95/02/804329502.db2.gz XARAVLPVTBSRJY-OAHLLOKOSA-N 1 3 274.452 3.302 20 0 CGADHO CCC1([NH2+][C@@H](C)Cc2cccc(Cl)c2)CCNCC1 ZINC001246424341 804330359 /nfs/dbraw/zinc/33/03/59/804330359.db2.gz QVMMLTOCGIBXRD-ZDUSSCGKSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)N[C@H]1CC12C[NH2+]C2 ZINC001246444272 804334893 /nfs/dbraw/zinc/33/48/93/804334893.db2.gz JTBBWGURYGEUNG-OCCSQVGLSA-N 1 3 294.464 3.022 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CC12CNC2 ZINC001246444272 804334904 /nfs/dbraw/zinc/33/49/04/804334904.db2.gz JTBBWGURYGEUNG-OCCSQVGLSA-N 1 3 294.464 3.022 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)CCN1 ZINC001246465673 804346877 /nfs/dbraw/zinc/34/68/77/804346877.db2.gz LFRMDOFZHKVTEN-BBWFWOEESA-N 1 3 272.436 3.227 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246519756 804373795 /nfs/dbraw/zinc/37/37/95/804373795.db2.gz UGDQPDRRCUTHHR-QZTJIDSGSA-N 1 3 274.452 3.231 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246521181 804377476 /nfs/dbraw/zinc/37/74/76/804377476.db2.gz XSIWXJVVOGZUNN-LJISPDSOSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246521181 804377486 /nfs/dbraw/zinc/37/74/86/804377486.db2.gz XSIWXJVVOGZUNN-LJISPDSOSA-N 1 3 252.446 3.416 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCC3)CCN1 ZINC001246532606 804384439 /nfs/dbraw/zinc/38/44/39/804384439.db2.gz RWTYDNPUTVOMFN-KFWWJZLASA-N 1 3 264.457 3.466 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N1CCC(C[NH3+])CC1 ZINC001246540056 804387203 /nfs/dbraw/zinc/38/72/03/804387203.db2.gz UTEUDQRTYWGSLL-LLVKDONJSA-N 1 3 284.806 3.081 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001246550263 804400916 /nfs/dbraw/zinc/40/09/16/804400916.db2.gz JGBVQJNETXSHHC-BPQIPLTHSA-N 1 3 274.452 3.315 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001246550263 804400918 /nfs/dbraw/zinc/40/09/18/804400918.db2.gz JGBVQJNETXSHHC-BPQIPLTHSA-N 1 3 274.452 3.315 20 0 CGADHO CC1(C)CCC[N@@H+]1[C@@H]1CCNC2(CCCCC2)C1 ZINC001246550308 804400983 /nfs/dbraw/zinc/40/09/83/804400983.db2.gz OERWVXJDSGUYSV-CQSZACIVSA-N 1 3 250.430 3.316 20 0 CGADHO CC1(C)CCC[N@H+]1[C@@H]1CCNC2(CCCCC2)C1 ZINC001246550308 804400989 /nfs/dbraw/zinc/40/09/89/804400989.db2.gz OERWVXJDSGUYSV-CQSZACIVSA-N 1 3 250.430 3.316 20 0 CGADHO CC1(F)CC[NH+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246551514 804401415 /nfs/dbraw/zinc/40/14/15/804401415.db2.gz NCDJRABCMIFESO-IRXDYDNUSA-N 1 3 290.426 3.174 20 0 CGADHO CC1(F)CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246551514 804401418 /nfs/dbraw/zinc/40/14/18/804401418.db2.gz NCDJRABCMIFESO-IRXDYDNUSA-N 1 3 290.426 3.174 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552053 804402807 /nfs/dbraw/zinc/40/28/07/804402807.db2.gz NPOXJQOZBOLMBZ-CZUORRHYSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554548 804403893 /nfs/dbraw/zinc/40/38/93/804403893.db2.gz WIKGRMRTVKWPCJ-RHSMWYFYSA-N 1 3 294.389 3.025 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246554159 804404601 /nfs/dbraw/zinc/40/46/01/804404601.db2.gz CSBXLLVQRIFFJE-YNEHKIRRSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246554159 804404604 /nfs/dbraw/zinc/40/46/04/804404604.db2.gz CSBXLLVQRIFFJE-YNEHKIRRSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554159 804404609 /nfs/dbraw/zinc/40/46/09/804404609.db2.gz CSBXLLVQRIFFJE-YNEHKIRRSA-N 1 3 262.388 3.117 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1c[nH]c2cccc(O)c12 ZINC001140236269 804405312 /nfs/dbraw/zinc/40/53/12/804405312.db2.gz DNOALRNYIDIOJV-UHFFFAOYSA-N 1 3 289.423 3.037 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1c[nH]c2cccc(O)c12 ZINC001140236269 804405315 /nfs/dbraw/zinc/40/53/15/804405315.db2.gz DNOALRNYIDIOJV-UHFFFAOYSA-N 1 3 289.423 3.037 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246556609 804405989 /nfs/dbraw/zinc/40/59/89/804405989.db2.gz JREYSCRAFHFVIQ-ZDUSSCGKSA-N 1 3 276.415 3.363 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246556609 804405992 /nfs/dbraw/zinc/40/59/92/804405992.db2.gz JREYSCRAFHFVIQ-ZDUSSCGKSA-N 1 3 276.415 3.363 20 0 CGADHO NC[C@@H]1C[N@@H+](C2CCCCCCC2)CCC1(F)F ZINC001246560496 804409611 /nfs/dbraw/zinc/40/96/11/804409611.db2.gz UZYZHSLCUVEASI-GFCCVEGCSA-N 1 3 260.372 3.015 20 0 CGADHO NC[C@@H]1C[N@H+](C2CCCCCCC2)CCC1(F)F ZINC001246560496 804409614 /nfs/dbraw/zinc/40/96/14/804409614.db2.gz UZYZHSLCUVEASI-GFCCVEGCSA-N 1 3 260.372 3.015 20 0 CGADHO [NH3+]C[C@@H]1CN(C2CCCCCCC2)CCC1(F)F ZINC001246560496 804409619 /nfs/dbraw/zinc/40/96/19/804409619.db2.gz UZYZHSLCUVEASI-GFCCVEGCSA-N 1 3 260.372 3.015 20 0 CGADHO CC(C)[N@H+]([C@@H]1CCC(C)(C)C1)[C@@H]1CCCNCC1 ZINC001246597609 804436665 /nfs/dbraw/zinc/43/66/65/804436665.db2.gz XSAZPJHJVMBJQJ-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@@H]1CCC(C)(C)C1)[C@@H]1CCCNCC1 ZINC001246597609 804436668 /nfs/dbraw/zinc/43/66/68/804436668.db2.gz XSAZPJHJVMBJQJ-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@]13CCCNC3)C2 ZINC001246608757 804443234 /nfs/dbraw/zinc/44/32/34/804443234.db2.gz JLVNASQKDLXPOB-HKUYNNGSSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@]13CCCNC3)C2 ZINC001246608757 804443239 /nfs/dbraw/zinc/44/32/39/804443239.db2.gz JLVNASQKDLXPOB-HKUYNNGSSA-N 1 3 284.447 3.070 20 0 CGADHO C1CCC2(C1)CCC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3)C2 ZINC001246611387 804444686 /nfs/dbraw/zinc/44/46/86/804444686.db2.gz GDHSLNIEONRSSH-ZSHCYNCHSA-N 1 3 262.441 3.316 20 0 CGADHO C1CCC2(C1)CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3)C2 ZINC001246611387 804444689 /nfs/dbraw/zinc/44/46/89/804444689.db2.gz GDHSLNIEONRSSH-ZSHCYNCHSA-N 1 3 262.441 3.316 20 0 CGADHO CC1(C)CCC[C@H]([N@@H+]2CCC[C@]23CCCNC3)C1 ZINC001246612846 804446983 /nfs/dbraw/zinc/44/69/83/804446983.db2.gz XNSHQUJSTOUSSC-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@H]([N@H+]2CCC[C@]23CCCNC3)C1 ZINC001246612846 804446987 /nfs/dbraw/zinc/44/69/87/804446987.db2.gz XNSHQUJSTOUSSC-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246626465 804457166 /nfs/dbraw/zinc/45/71/66/804457166.db2.gz UNBFAOKONFXNOX-IPMKNSEASA-N 1 3 286.463 3.472 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246626465 804457170 /nfs/dbraw/zinc/45/71/70/804457170.db2.gz UNBFAOKONFXNOX-IPMKNSEASA-N 1 3 286.463 3.472 20 0 CGADHO c1ccc(C[C@@H]2C[C@H]([NH+]3CC4(C3)CCCC4)CCN2)cc1 ZINC001246632247 804462331 /nfs/dbraw/zinc/46/23/31/804462331.db2.gz WDJZSWZKRQNTOF-QZTJIDSGSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]([NH+]3CC4(C3)CCCC4)CCN2)cc1 ZINC001246632246 804462601 /nfs/dbraw/zinc/46/26/01/804462601.db2.gz WDJZSWZKRQNTOF-MSOLQXFVSA-N 1 3 284.447 3.226 20 0 CGADHO C1C[C@@H]2[C@@H](CCN2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246636966 804465912 /nfs/dbraw/zinc/46/59/12/804465912.db2.gz HPDCCPKOPMDTGP-BZUAXINKSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246636966 804465915 /nfs/dbraw/zinc/46/59/15/804465915.db2.gz HPDCCPKOPMDTGP-BZUAXINKSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246636966 804465918 /nfs/dbraw/zinc/46/59/18/804465918.db2.gz HPDCCPKOPMDTGP-BZUAXINKSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC23CCNCC3)C[C@H]1C ZINC001246646203 804473917 /nfs/dbraw/zinc/47/39/17/804473917.db2.gz PACPLOQRUHFBIT-KFWWJZLASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCCC23CCNCC3)C[C@H]1C ZINC001246646203 804473921 /nfs/dbraw/zinc/47/39/21/804473921.db2.gz PACPLOQRUHFBIT-KFWWJZLASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCCC23CCNCC3)C[C@@H](C)C1 ZINC001246649992 804477150 /nfs/dbraw/zinc/47/71/50/804477150.db2.gz ASYVPMTXZJOOQE-KBPBESRZSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC([N@H+]2CCCC23CCNCC3)C[C@@H](C)C1 ZINC001246649992 804477151 /nfs/dbraw/zinc/47/71/51/804477151.db2.gz ASYVPMTXZJOOQE-KBPBESRZSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246652021 804479074 /nfs/dbraw/zinc/47/90/74/804479074.db2.gz NTNCVYKDRJVUDY-ICSRJNTNSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246652021 804479077 /nfs/dbraw/zinc/47/90/77/804479077.db2.gz NTNCVYKDRJVUDY-ICSRJNTNSA-N 1 3 298.474 3.460 20 0 CGADHO CCC(CC)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674635 804490321 /nfs/dbraw/zinc/49/03/21/804490321.db2.gz VIZMXXBMWPCYET-IEBWSBKVSA-N 1 3 286.463 3.428 20 0 CGADHO CCC(CC)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674635 804490325 /nfs/dbraw/zinc/49/03/25/804490325.db2.gz VIZMXXBMWPCYET-IEBWSBKVSA-N 1 3 286.463 3.428 20 0 CGADHO CCC(CC)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674637 804490813 /nfs/dbraw/zinc/49/08/13/804490813.db2.gz VIZMXXBMWPCYET-MJGOQNOKSA-N 1 3 286.463 3.428 20 0 CGADHO CCC(CC)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246674637 804490817 /nfs/dbraw/zinc/49/08/17/804490817.db2.gz VIZMXXBMWPCYET-MJGOQNOKSA-N 1 3 286.463 3.428 20 0 CGADHO NC[C@@H]1CCC[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246779846 804508527 /nfs/dbraw/zinc/50/85/27/804508527.db2.gz JGFXOSZTIXDUJC-VQSBYGRUSA-N 1 3 298.474 3.484 20 0 CGADHO NC[C@@H]1CCC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246779846 804508533 /nfs/dbraw/zinc/50/85/33/804508533.db2.gz JGFXOSZTIXDUJC-VQSBYGRUSA-N 1 3 298.474 3.484 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246783447 804510635 /nfs/dbraw/zinc/51/06/35/804510635.db2.gz XJPAIHFFQOWWCK-XIRDDKMYSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246783447 804510638 /nfs/dbraw/zinc/51/06/38/804510638.db2.gz XJPAIHFFQOWWCK-XIRDDKMYSA-N 1 3 258.409 3.272 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN)C1 ZINC001246799204 804519853 /nfs/dbraw/zinc/51/98/53/804519853.db2.gz WNGYGJVECIIPJG-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN)C1 ZINC001246799204 804519856 /nfs/dbraw/zinc/51/98/56/804519856.db2.gz WNGYGJVECIIPJG-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CN(CCc1cccs1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246796908 804520030 /nfs/dbraw/zinc/52/00/30/804520030.db2.gz NTNQZGKDDOWWTG-ZFWWWQNUSA-N 1 3 280.481 3.389 20 0 CGADHO COc1cccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246851667 804562233 /nfs/dbraw/zinc/56/22/33/804562233.db2.gz ZQQLCYHOTSIWSP-ONYGOOLBSA-N 1 3 286.419 3.115 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862662 804567484 /nfs/dbraw/zinc/56/74/84/804567484.db2.gz MKVDKMWDVQIEDC-IRXDYDNUSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862662 804567489 /nfs/dbraw/zinc/56/74/89/804567489.db2.gz MKVDKMWDVQIEDC-IRXDYDNUSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@@H](N(C)CCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246862662 804567494 /nfs/dbraw/zinc/56/74/94/804567494.db2.gz MKVDKMWDVQIEDC-IRXDYDNUSA-N 1 3 290.451 3.090 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868106 804571044 /nfs/dbraw/zinc/57/10/44/804571044.db2.gz QLVCLKYHPSGGKV-WCVJEAGWSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868106 804571047 /nfs/dbraw/zinc/57/10/47/804571047.db2.gz QLVCLKYHPSGGKV-WCVJEAGWSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)CC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246878340 804576826 /nfs/dbraw/zinc/57/68/26/804576826.db2.gz KQEZPLREIZVHRS-UHOSZYNNSA-N 1 3 286.463 3.284 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)CCN1 ZINC001246882891 804578051 /nfs/dbraw/zinc/57/80/51/804578051.db2.gz PDGHIFVQJFGODL-KDOFPFPSSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246882891 804578056 /nfs/dbraw/zinc/57/80/56/804578056.db2.gz PDGHIFVQJFGODL-KDOFPFPSSA-N 1 3 290.426 3.221 20 0 CGADHO CCC[N@H+](C1CCNCC1)[C@@H]1CSc2ccccc2C1 ZINC001246894587 804585199 /nfs/dbraw/zinc/58/51/99/804585199.db2.gz OBAWTXHPQUNLNX-INIZCTEOSA-N 1 3 290.476 3.167 20 0 CGADHO CCC[N@@H+](C1CCNCC1)[C@@H]1CSc2ccccc2C1 ZINC001246894587 804585203 /nfs/dbraw/zinc/58/52/03/804585203.db2.gz OBAWTXHPQUNLNX-INIZCTEOSA-N 1 3 290.476 3.167 20 0 CGADHO CCCN(C1CC[NH2+]CC1)[C@@H]1CSc2ccccc2C1 ZINC001246894587 804585206 /nfs/dbraw/zinc/58/52/06/804585206.db2.gz OBAWTXHPQUNLNX-INIZCTEOSA-N 1 3 290.476 3.167 20 0 CGADHO c1[nH]c2ccccc2c1[C@@H]1CCC[N@@H+]1C1CCNCC1 ZINC001246901946 804588265 /nfs/dbraw/zinc/58/82/65/804588265.db2.gz PSTLRVAEWOPFTR-KRWDZBQOSA-N 1 3 269.392 3.057 20 0 CGADHO c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C1CCNCC1 ZINC001246901946 804588271 /nfs/dbraw/zinc/58/82/71/804588271.db2.gz PSTLRVAEWOPFTR-KRWDZBQOSA-N 1 3 269.392 3.057 20 0 CGADHO CN(Cc1cccc(F)c1F)C1CCC2(CC[NH2+]C2)CC1 ZINC001246906652 804592181 /nfs/dbraw/zinc/59/21/81/804592181.db2.gz FMIRLWSAMKOMQW-UHFFFAOYSA-N 1 3 294.389 3.319 20 0 CGADHO CC[C@@H]1CC([N@H+](CC2CC2)C2CC2)C[C@@H](CC)N1 ZINC001246911077 804595335 /nfs/dbraw/zinc/59/53/35/804595335.db2.gz DTFOYNLMBVVPRO-ZIAGYGMSSA-N 1 3 250.430 3.170 20 0 CGADHO CC[C@@H]1CC([N@@H+](CC2CC2)C2CC2)C[C@@H](CC)N1 ZINC001246911077 804595340 /nfs/dbraw/zinc/59/53/40/804595340.db2.gz DTFOYNLMBVVPRO-ZIAGYGMSSA-N 1 3 250.430 3.170 20 0 CGADHO CC[N@H+](CCc1ccc(OC)cc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246919530 804600863 /nfs/dbraw/zinc/60/08/63/804600863.db2.gz BGVWBSVDURZIQX-HUUCEWRRSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246919530 804600866 /nfs/dbraw/zinc/60/08/66/804600866.db2.gz BGVWBSVDURZIQX-HUUCEWRRSA-N 1 3 290.451 3.089 20 0 CGADHO CCN(CCc1ccc(OC)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246919530 804600868 /nfs/dbraw/zinc/60/08/68/804600868.db2.gz BGVWBSVDURZIQX-HUUCEWRRSA-N 1 3 290.451 3.089 20 0 CGADHO CC[C@H]1C[C@@H](N(CC)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246922355 804601863 /nfs/dbraw/zinc/60/18/63/804601863.db2.gz KQSIISXEOPRTBI-IRXDYDNUSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922355 804601868 /nfs/dbraw/zinc/60/18/68/804601868.db2.gz KQSIISXEOPRTBI-IRXDYDNUSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922355 804601875 /nfs/dbraw/zinc/60/18/75/804601875.db2.gz KQSIISXEOPRTBI-IRXDYDNUSA-N 1 3 290.451 3.090 20 0 CGADHO CCc1ccc(C[C@H](C)N(CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001246946841 804613744 /nfs/dbraw/zinc/61/37/44/804613744.db2.gz IAZUJCYSBATKLA-MAUKXSAKSA-N 1 3 274.452 3.111 20 0 CGADHO CCCc1ccc(C[NH+]2C[C@@H]3CN(CC)C[C@H]3C2)cc1 ZINC001142367591 804718458 /nfs/dbraw/zinc/71/84/58/804718458.db2.gz RZJVCSXAQVASIX-ROUUACIJSA-N 1 3 272.436 3.023 20 0 CGADHO CCSc1ccccc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001249440171 805150917 /nfs/dbraw/zinc/15/09/17/805150917.db2.gz AAXCDQKOFCLQCS-UHFFFAOYSA-N 1 3 290.476 3.326 20 0 CGADHO CCC[C@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257311568 807100174 /nfs/dbraw/zinc/10/01/74/807100174.db2.gz NCPMTRSGJOHECV-ZDUSSCGKSA-N 1 3 264.388 3.264 20 0 CGADHO CCC[C@@H](C)N1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001257312571 807101266 /nfs/dbraw/zinc/10/12/66/807101266.db2.gz YVKVHZUGAMKAKJ-CQSZACIVSA-N 1 3 276.424 3.134 20 0 CGADHO CCC[C@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001257325533 807109383 /nfs/dbraw/zinc/10/93/83/807109383.db2.gz KLPLVORNRJLCOG-ZDUSSCGKSA-N 1 3 256.409 3.073 20 0 CGADHO CC[C@H](C)N1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001257434106 807154908 /nfs/dbraw/zinc/15/49/08/807154908.db2.gz NVOCKBNVOOBOQX-LBPRGKRZSA-N 1 3 266.816 3.388 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N(C)Cc1cncs1 ZINC001167840101 807260166 /nfs/dbraw/zinc/26/01/66/807260166.db2.gz DTRHRPVVQTVWNL-ZDUSSCGKSA-N 1 3 269.458 3.085 20 0 CGADHO CC(C)CN1CCC([NH2+]CC2(CC3CC3)CC2)CC1 ZINC001258007623 807264882 /nfs/dbraw/zinc/26/48/82/807264882.db2.gz JYXWQCPMHBJTJT-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO COc1ccc(C[N@H+](C)C2CCN(CC(C)C)CC2)cc1 ZINC001258012848 807267082 /nfs/dbraw/zinc/26/70/82/807267082.db2.gz HLVQYDFEAURJGI-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO COc1ccc(C[N@@H+](C)C2CCN(CC(C)C)CC2)cc1 ZINC001258012848 807267085 /nfs/dbraw/zinc/26/70/85/807267085.db2.gz HLVQYDFEAURJGI-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001258014277 807267667 /nfs/dbraw/zinc/26/76/67/807267667.db2.gz IAHWDIFADPEMDZ-GOSISDBHSA-N 1 3 287.451 3.339 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001258014277 807267670 /nfs/dbraw/zinc/26/76/70/807267670.db2.gz IAHWDIFADPEMDZ-GOSISDBHSA-N 1 3 287.451 3.339 20 0 CGADHO CCOC(=O)CCC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001258103358 807309850 /nfs/dbraw/zinc/30/98/50/807309850.db2.gz MEKAKMHKIJNYOV-OAHLLOKOSA-N 1 3 298.471 3.092 20 0 CGADHO CCOC(=O)CCC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001258103358 807309856 /nfs/dbraw/zinc/30/98/56/807309856.db2.gz MEKAKMHKIJNYOV-OAHLLOKOSA-N 1 3 298.471 3.092 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349035 807422510 /nfs/dbraw/zinc/42/25/10/807422510.db2.gz KQUJLIVIKOPDEJ-KFWWJZLASA-N 1 3 284.513 3.180 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349035 807422514 /nfs/dbraw/zinc/42/25/14/807422514.db2.gz KQUJLIVIKOPDEJ-KFWWJZLASA-N 1 3 284.513 3.180 20 0 CGADHO CCN(CCC[NH+](C)C)[C@@H](C)Cc1cccc(F)c1 ZINC001168501315 807438011 /nfs/dbraw/zinc/43/80/11/807438011.db2.gz RJCNRBLZOXADII-AWEZNQCLSA-N 1 3 266.404 3.030 20 0 CGADHO C[C@H](CC1CC1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258455680 807461971 /nfs/dbraw/zinc/46/19/71/807461971.db2.gz UBINUBVBCVELRJ-GFCCVEGCSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@H](Cc1cccnc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258612645 807508740 /nfs/dbraw/zinc/50/87/40/807508740.db2.gz CYJQWMFWTGFGDV-APWZRJJASA-N 1 3 297.446 3.295 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC(C)(C)C[NH3+] ZINC001258673994 807538691 /nfs/dbraw/zinc/53/86/91/807538691.db2.gz XIDQNTQGXLUQSZ-SECBINFHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCCN1C ZINC001258740168 807584658 /nfs/dbraw/zinc/58/46/58/807584658.db2.gz MUCCYTIXDXGOHE-XJKSGUPXSA-N 1 3 280.843 3.345 20 0 CGADHO CCCC[C@@H](CCC)[NH+]1CCC(N)(CCOC)CC1 ZINC001258758948 807597803 /nfs/dbraw/zinc/59/78/03/807597803.db2.gz KFJQGMIMUJGYDD-OAHLLOKOSA-N 1 3 270.461 3.175 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001169237913 807611295 /nfs/dbraw/zinc/61/12/95/807611295.db2.gz CCOUBSJZSWKPRQ-QGZVFWFLSA-N 1 3 276.399 3.277 20 0 CGADHO CCN1CCC([NH2+]CCP(C(C)C)C(C)C)CC1 ZINC001169241858 807613191 /nfs/dbraw/zinc/61/31/91/807613191.db2.gz QGHRAGGFIUWJMQ-UHFFFAOYSA-N 1 3 272.417 3.359 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258798802 807620494 /nfs/dbraw/zinc/62/04/94/807620494.db2.gz YWUIXFVJMXPIGK-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258853468 807661043 /nfs/dbraw/zinc/66/10/43/807661043.db2.gz YZGJJWRRGALPCH-KRWDZBQOSA-N 1 3 272.436 3.035 20 0 CGADHO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001258883686 807663184 /nfs/dbraw/zinc/66/31/84/807663184.db2.gz NLWCTKPJDPOWGO-USXIJHARSA-N 1 3 290.451 3.089 20 0 CGADHO C[C@H]1CCCCN1c1cccc(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169562336 807667416 /nfs/dbraw/zinc/66/74/16/807667416.db2.gz AJUYGMZDUNEGGC-LSDHHAIUSA-N 1 3 288.439 3.014 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1c(F)cccc1OC ZINC001258899836 807669230 /nfs/dbraw/zinc/66/92/30/807669230.db2.gz TUOAZPVVAONKEY-AWEZNQCLSA-N 1 3 296.430 3.434 20 0 CGADHO CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001170077455 807749417 /nfs/dbraw/zinc/74/94/17/807749417.db2.gz JPIUFLJHHPDMKG-OAGGEKHMSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001170077455 807749421 /nfs/dbraw/zinc/74/94/21/807749421.db2.gz JPIUFLJHHPDMKG-OAGGEKHMSA-N 1 3 252.446 3.085 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001170112717 807761623 /nfs/dbraw/zinc/76/16/23/807761623.db2.gz KXDIOVWCBKIYPA-UKRRQHHQSA-N 1 3 252.446 3.418 20 0 CGADHO C/C(=C\C=C\N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001170333655 807826012 /nfs/dbraw/zinc/82/60/12/807826012.db2.gz QQMBVOXQFCOHOK-QFNRRRHKSA-N 1 3 297.446 3.148 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720278 807884056 /nfs/dbraw/zinc/88/40/56/807884056.db2.gz KDZKRTHVXBAPTJ-FPCVCCKLSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]1CCN(c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001262671441 807892685 /nfs/dbraw/zinc/89/26/85/807892685.db2.gz DXIWADSURHIFLX-MRXNPFEDSA-N 1 3 281.403 3.182 20 0 CGADHO C[C@@H]1CCN(c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001262671441 807892694 /nfs/dbraw/zinc/89/26/94/807892694.db2.gz DXIWADSURHIFLX-MRXNPFEDSA-N 1 3 281.403 3.182 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170897482 807928360 /nfs/dbraw/zinc/92/83/60/807928360.db2.gz OOXFHNNJCJZTEO-AWEZNQCLSA-N 1 3 280.843 3.257 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170897482 807928361 /nfs/dbraw/zinc/92/83/61/807928361.db2.gz OOXFHNNJCJZTEO-AWEZNQCLSA-N 1 3 280.843 3.257 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170974020 807948870 /nfs/dbraw/zinc/94/88/70/807948870.db2.gz VFLNMUCADFOCLW-HRCADAONSA-N 1 3 290.426 3.145 20 0 CGADHO Cc1cc2cc(NC[C@@H]3CCCC[NH2+]3)ccc2cn1 ZINC001171341422 808032149 /nfs/dbraw/zinc/03/21/49/808032149.db2.gz XAIBXRGPOIVVDF-INIZCTEOSA-N 1 3 255.365 3.097 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCC2(O)CCCCC2)CC1(C)C ZINC001171618804 808105575 /nfs/dbraw/zinc/10/55/75/808105575.db2.gz CUEJSSAIIKIAPT-UHFFFAOYSA-N 1 3 296.499 3.313 20 0 CGADHO Cn1c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc2ccccc21 ZINC001172100218 808173041 /nfs/dbraw/zinc/17/30/41/808173041.db2.gz BIMMPNLFQGPYGY-BJWYYQGGSA-N 1 3 297.446 3.283 20 0 CGADHO Cc1ccnc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172102422 808173951 /nfs/dbraw/zinc/17/39/51/808173951.db2.gz MSBCXMGMYWHSPB-YHUYYLMFSA-N 1 3 273.424 3.056 20 0 CGADHO Cc1ccc(C)c(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102407 808175094 /nfs/dbraw/zinc/17/50/94/808175094.db2.gz MOOZXVRJIFUIFW-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(C)c(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102407 808175096 /nfs/dbraw/zinc/17/50/96/808175096.db2.gz MOOZXVRJIFUIFW-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO CN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115367 808180129 /nfs/dbraw/zinc/18/01/29/808180129.db2.gz WQYWZXMLTCKJNC-BJWYYQGGSA-N 1 3 258.409 3.134 20 0 CGADHO CN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115367 808180133 /nfs/dbraw/zinc/18/01/33/808180133.db2.gz WQYWZXMLTCKJNC-BJWYYQGGSA-N 1 3 258.409 3.134 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001172124540 808185913 /nfs/dbraw/zinc/18/59/13/808185913.db2.gz LIPACQGNIPJGJB-SIRPWMCASA-N 1 3 262.441 3.266 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001172124540 808185916 /nfs/dbraw/zinc/18/59/16/808185916.db2.gz LIPACQGNIPJGJB-SIRPWMCASA-N 1 3 262.441 3.266 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172314835 808225110 /nfs/dbraw/zinc/22/51/10/808225110.db2.gz FFVMKTQUYVFGJT-CVEARBPZSA-N 1 3 272.477 3.292 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001172339263 808240617 /nfs/dbraw/zinc/24/06/17/808240617.db2.gz GBHUXWQJIPECPV-VGWMRTNUSA-N 1 3 270.461 3.043 20 0 CGADHO CC[C@H](CC(C)C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172393000 808284098 /nfs/dbraw/zinc/28/40/98/808284098.db2.gz HVTQOUWSZUUNJZ-QGZVFWFLSA-N 1 3 296.499 3.292 20 0 CGADHO CCOCC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172413864 808299234 /nfs/dbraw/zinc/29/92/34/808299234.db2.gz KTGXYYYPALCFER-ZDUSSCGKSA-N 1 3 270.461 3.043 20 0 CGADHO CC(C)OCC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172439186 808315211 /nfs/dbraw/zinc/31/52/11/808315211.db2.gz ZWJBURUEFIZOJT-ZDUSSCGKSA-N 1 3 270.461 3.170 20 0 CGADHO CN(C1CC1)C1CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172660689 808412588 /nfs/dbraw/zinc/41/25/88/808412588.db2.gz UUFHGMJQEPVCAH-UHFFFAOYSA-N 1 3 294.483 3.281 20 0 CGADHO CC[C@@H]1CC[C@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001173296485 808596348 /nfs/dbraw/zinc/59/63/48/808596348.db2.gz UEKATLANIAXHAA-CJNGLKHVSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001173296485 808596351 /nfs/dbraw/zinc/59/63/51/808596351.db2.gz UEKATLANIAXHAA-CJNGLKHVSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296485 808596356 /nfs/dbraw/zinc/59/63/56/808596356.db2.gz UEKATLANIAXHAA-CJNGLKHVSA-N 1 3 250.430 3.124 20 0 CGADHO C(C1CC1)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275138234 808916283 /nfs/dbraw/zinc/91/62/83/808916283.db2.gz MRQFFDQRGDSYFW-QGZVFWFLSA-N 1 3 262.441 3.127 20 0 CGADHO C(C1CC1)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275138234 808916288 /nfs/dbraw/zinc/91/62/88/808916288.db2.gz MRQFFDQRGDSYFW-QGZVFWFLSA-N 1 3 262.441 3.127 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3cc(F)ccc3Cl)C[C@H]2CC1 ZINC001275621747 808952702 /nfs/dbraw/zinc/95/27/02/808952702.db2.gz ZBQXCJKDTYLTPG-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)ccc3Cl)C[C@H]2CC1 ZINC001275621747 808952706 /nfs/dbraw/zinc/95/27/06/808952706.db2.gz ZBQXCJKDTYLTPG-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)oc1C ZINC001276174693 808992628 /nfs/dbraw/zinc/99/26/28/808992628.db2.gz BVBOAAATKAGLIA-KRWDZBQOSA-N 1 3 276.424 3.204 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)oc1C ZINC001276174693 808992633 /nfs/dbraw/zinc/99/26/33/808992633.db2.gz BVBOAAATKAGLIA-KRWDZBQOSA-N 1 3 276.424 3.204 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4c3ccn4C)(C1)CCC2 ZINC001276829944 809036177 /nfs/dbraw/zinc/03/61/77/809036177.db2.gz DFHLBHXHCAWSOY-RBUKOAKNSA-N 1 3 297.446 3.333 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4ccn(C)c4c3)(C1)CCC2 ZINC001276846701 809037869 /nfs/dbraw/zinc/03/78/69/809037869.db2.gz TZXCVBBREULXCL-RBUKOAKNSA-N 1 3 297.446 3.333 20 0 CGADHO CCSc1ccccc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001175211044 809309162 /nfs/dbraw/zinc/30/91/62/809309162.db2.gz IUPIRZTZCZDWEM-ZBFHGGJFSA-N 1 3 290.476 3.182 20 0 CGADHO CCSc1ccccc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001175211044 809309170 /nfs/dbraw/zinc/30/91/70/809309170.db2.gz IUPIRZTZCZDWEM-ZBFHGGJFSA-N 1 3 290.476 3.182 20 0 CGADHO CCc1ccccc1CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176280516 809659099 /nfs/dbraw/zinc/65/90/99/809659099.db2.gz CZRKKIGICBTUCC-INIZCTEOSA-N 1 3 295.430 3.355 20 0 CGADHO Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)CN(C)C)cc1C ZINC001178816602 809889950 /nfs/dbraw/zinc/88/99/50/809889950.db2.gz ANNOSJSPSCFCCX-WBTMPAOCSA-N 1 3 274.452 3.412 20 0 CGADHO CCc1ccccc1CCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196630982 811355029 /nfs/dbraw/zinc/35/50/29/811355029.db2.gz BZVNOSVZSLFYMK-OALUTQOASA-N 1 3 286.463 3.065 20 0 CGADHO Cc1cc(C)cc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC001197367799 811421267 /nfs/dbraw/zinc/42/12/67/811421267.db2.gz ASKCLZKOCXCZLA-QGZVFWFLSA-N 1 3 295.430 3.409 20 0 CGADHO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201515479 811878361 /nfs/dbraw/zinc/87/83/61/811878361.db2.gz NJWGTHJBQICVAX-OWCLPIDISA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201515479 811878370 /nfs/dbraw/zinc/87/83/70/811878370.db2.gz NJWGTHJBQICVAX-OWCLPIDISA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516803 811878868 /nfs/dbraw/zinc/87/88/68/811878868.db2.gz CBTFGDWIGKMTHP-WDSOQIARSA-N 1 3 286.463 3.486 20 0 CGADHO CC[C@H](C)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516803 811878878 /nfs/dbraw/zinc/87/88/78/811878878.db2.gz CBTFGDWIGKMTHP-WDSOQIARSA-N 1 3 286.463 3.486 20 0 CGADHO CC[NH+](CC)CCn1cc(Nc2ccnc(C3CC3)c2)cn1 ZINC001203256833 812283878 /nfs/dbraw/zinc/28/38/78/812283878.db2.gz SHNUNCJBZDMHSV-UHFFFAOYSA-N 1 3 299.422 3.241 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@H]2C1 ZINC001204399760 812629183 /nfs/dbraw/zinc/62/91/83/812629183.db2.gz WBADFRRLTVDYRJ-IAGOWNOFSA-N 1 3 286.463 3.368 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H](N)C2)cc1 ZINC001204877740 812762019 /nfs/dbraw/zinc/76/20/19/812762019.db2.gz ORLUKFJHCXSUTC-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@H](N)C2)cc1 ZINC001204877740 812762024 /nfs/dbraw/zinc/76/20/24/812762024.db2.gz ORLUKFJHCXSUTC-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@](C)(N)C2)C1(C)C ZINC001204937507 812785027 /nfs/dbraw/zinc/78/50/27/812785027.db2.gz CTGPRDHIMPNKNG-ZBFHGGJFSA-N 1 3 250.430 3.182 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@](C)(N)C2)C1(C)C ZINC001204937507 812785032 /nfs/dbraw/zinc/78/50/32/812785032.db2.gz CTGPRDHIMPNKNG-ZBFHGGJFSA-N 1 3 250.430 3.182 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2cc3ccccc3s2)CC1 ZINC001205101776 812866650 /nfs/dbraw/zinc/86/66/50/812866650.db2.gz LISJNQJCIOQRIG-ZDUSSCGKSA-N 1 3 260.406 3.215 20 0 CGADHO C[C@@H]1c2ccccc2CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001205164736 812894497 /nfs/dbraw/zinc/89/44/97/812894497.db2.gz REZFRLTZFQQGFO-OAHLLOKOSA-N 1 3 292.426 3.452 20 0 CGADHO C[C@@H]1c2ccccc2CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205164662 812895904 /nfs/dbraw/zinc/89/59/04/812895904.db2.gz LKQIJIJNDFKUEJ-CQSZACIVSA-N 1 3 278.399 3.409 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2cccc3occc32)CC1 ZINC001205287940 812932176 /nfs/dbraw/zinc/93/21/76/812932176.db2.gz DUFGUVMTQFKWDV-MRXNPFEDSA-N 1 3 258.365 3.136 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C3CCC3)cc2)C[C@H]1C[NH3+] ZINC001205317170 812949323 /nfs/dbraw/zinc/94/93/23/812949323.db2.gz MYXGQIVZGMRMQX-KBXCAEBGSA-N 1 3 272.436 3.371 20 0 CGADHO [NH3+]C[C@]1(F)CCCN(Cc2cc(Cl)cs2)CC1 ZINC001205580141 813010525 /nfs/dbraw/zinc/01/05/25/813010525.db2.gz QMIQWZBCFSBTNF-LBPRGKRZSA-N 1 3 276.808 3.054 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205618501 813028712 /nfs/dbraw/zinc/02/87/12/813028712.db2.gz WQDTYBXMLYEDJL-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC001205639155 813038591 /nfs/dbraw/zinc/03/85/91/813038591.db2.gz WNMRNQPRIOHENN-ZBFHGGJFSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCCCc1ccccc1 ZINC001205901705 813123282 /nfs/dbraw/zinc/12/32/82/813123282.db2.gz FNCUKTJYYOKAKY-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCCCc1ccccc1 ZINC001205901705 813123287 /nfs/dbraw/zinc/12/32/87/813123287.db2.gz FNCUKTJYYOKAKY-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001205904605 813126567 /nfs/dbraw/zinc/12/65/67/813126567.db2.gz WDBPOSXFUCLUJP-ARFHVFGLSA-N 1 3 252.446 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001205904605 813126568 /nfs/dbraw/zinc/12/65/68/813126568.db2.gz WDBPOSXFUCLUJP-ARFHVFGLSA-N 1 3 252.446 3.428 20 0 CGADHO CCCCOc1ccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904874 813127559 /nfs/dbraw/zinc/12/75/59/813127559.db2.gz XPISJZQCIPEBDQ-DOTOQJQBSA-N 1 3 290.451 3.425 20 0 CGADHO N[C@@H]1CCCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939914 813142051 /nfs/dbraw/zinc/14/20/51/813142051.db2.gz VWWPMCGQBYGMRG-GOSISDBHSA-N 1 3 296.414 3.372 20 0 CGADHO N[C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939914 813142055 /nfs/dbraw/zinc/14/20/55/813142055.db2.gz VWWPMCGQBYGMRG-GOSISDBHSA-N 1 3 296.414 3.372 20 0 CGADHO C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCC[C@H]1C[NH3+] ZINC001205995895 813157246 /nfs/dbraw/zinc/15/72/46/813157246.db2.gz RPWXWMHTQVJPOI-AAEUAGOBSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2cccc(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001206004562 813160779 /nfs/dbraw/zinc/16/07/79/813160779.db2.gz UBGPBVOQEWPIBH-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2ccc(C(F)(F)F)o2)CCC[C@H]1C[NH3+] ZINC001206015046 813166508 /nfs/dbraw/zinc/16/65/08/813166508.db2.gz ZSBPMHFEKMVYHG-QWRGUYRKSA-N 1 3 290.329 3.105 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)C[C@H]1C ZINC001206109549 813202095 /nfs/dbraw/zinc/20/20/95/813202095.db2.gz BJEPEELRKDCKLM-QWHCGFSZSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)C[C@H]1C ZINC001206109549 813202098 /nfs/dbraw/zinc/20/20/98/813202098.db2.gz BJEPEELRKDCKLM-QWHCGFSZSA-N 1 3 278.465 3.262 20 0 CGADHO COc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1C(C)C ZINC001206172545 813224809 /nfs/dbraw/zinc/22/48/09/813224809.db2.gz APADWKBOLRCBJZ-HZPDHXFCSA-N 1 3 294.414 3.080 20 0 CGADHO COc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1C(C)C ZINC001206172545 813224810 /nfs/dbraw/zinc/22/48/10/813224810.db2.gz APADWKBOLRCBJZ-HZPDHXFCSA-N 1 3 294.414 3.080 20 0 CGADHO [NH3+][C@H]1CCN(Cc2ccccc2-c2cccnc2)CC[C@@H]1F ZINC001206174589 813226754 /nfs/dbraw/zinc/22/67/54/813226754.db2.gz OHTVTRVLTFVUDX-ROUUACIJSA-N 1 3 299.393 3.010 20 0 CGADHO CC(C)c1ccc(C[N@@H+]2CCCC[C@](F)(CN)C2)cc1 ZINC001206343346 813295960 /nfs/dbraw/zinc/29/59/60/813295960.db2.gz FHJYGQXLRXKUDX-KRWDZBQOSA-N 1 3 278.415 3.463 20 0 CGADHO CC(C)c1ccc(C[N@H+]2CCCC[C@](F)(CN)C2)cc1 ZINC001206343346 813295967 /nfs/dbraw/zinc/29/59/67/813295967.db2.gz FHJYGQXLRXKUDX-KRWDZBQOSA-N 1 3 278.415 3.463 20 0 CGADHO Cc1ccc2[nH]cc(CN3CCCC[C@](C)(C[NH3+])C3)c2c1 ZINC001206547107 813347071 /nfs/dbraw/zinc/34/70/71/813347071.db2.gz BRORVFKZJMXTJT-GOSISDBHSA-N 1 3 285.435 3.427 20 0 CGADHO CC(C)N(CCc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582776 813361702 /nfs/dbraw/zinc/36/17/02/813361702.db2.gz PPUYVXPPSRPPGM-CQSZACIVSA-N 1 3 296.405 3.360 20 0 CGADHO CC(C)(C)Oc1cccc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC001206641516 813383373 /nfs/dbraw/zinc/38/33/73/813383373.db2.gz YKIYUFPJODBVIG-MRXNPFEDSA-N 1 3 290.451 3.425 20 0 CGADHO Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC001206641578 813384118 /nfs/dbraw/zinc/38/41/18/813384118.db2.gz ZBMUZDUNSQEVDF-KRWDZBQOSA-N 1 3 290.451 3.343 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206646449 813385408 /nfs/dbraw/zinc/38/54/08/813385408.db2.gz CIIAIBCCFDZLKN-INIZCTEOSA-N 1 3 290.451 3.343 20 0 CGADHO Clc1cccc(CC2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC001206703866 813402328 /nfs/dbraw/zinc/40/23/28/813402328.db2.gz OCSNFUBTZQNNLK-MRXNPFEDSA-N 1 3 292.854 3.204 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC001206771029 813432226 /nfs/dbraw/zinc/43/22/26/813432226.db2.gz VTARVSHIAUQQDK-CHWSQXEVSA-N 1 3 274.433 3.461 20 0 CGADHO Cc1ccc(C[N@@H+](C)CC(C)(C)CN(C)C)cc1C ZINC001207288541 813536507 /nfs/dbraw/zinc/53/65/07/813536507.db2.gz RWAYBZNNQYEVOM-UHFFFAOYSA-N 1 3 262.441 3.323 20 0 CGADHO Cc1ccc(C[N@H+](C)CC(C)(C)CN(C)C)cc1C ZINC001207288541 813536513 /nfs/dbraw/zinc/53/65/13/813536513.db2.gz RWAYBZNNQYEVOM-UHFFFAOYSA-N 1 3 262.441 3.323 20 0 CGADHO CCN(CCc1ccc(OC)cc1)CC(C)(C)C[NH+](C)C ZINC001207288712 813536799 /nfs/dbraw/zinc/53/67/99/813536799.db2.gz VABVQZRNCFADHR-UHFFFAOYSA-N 1 3 292.467 3.147 20 0 CGADHO Cc1ccccc1O[C@@H]1CC[N@@H+](CC(C)(C)CN(C)C)C1 ZINC001207286847 813536850 /nfs/dbraw/zinc/53/68/50/813536850.db2.gz VRXKKBLFRFZUNU-MRXNPFEDSA-N 1 3 290.451 3.036 20 0 CGADHO Cc1ccccc1O[C@@H]1CC[N@H+](CC(C)(C)CN(C)C)C1 ZINC001207286847 813536855 /nfs/dbraw/zinc/53/68/55/813536855.db2.gz VRXKKBLFRFZUNU-MRXNPFEDSA-N 1 3 290.451 3.036 20 0 CGADHO C[N@H+](CCCN1CCCC1)CCc1cccc(Cl)c1 ZINC001207422669 813560372 /nfs/dbraw/zinc/56/03/72/813560372.db2.gz KABKRJRJPDADAS-UHFFFAOYSA-N 1 3 280.843 3.300 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CCc1cccc(Cl)c1 ZINC001207422669 813560375 /nfs/dbraw/zinc/56/03/75/813560375.db2.gz KABKRJRJPDADAS-UHFFFAOYSA-N 1 3 280.843 3.300 20 0 CGADHO CCCN(CCC[NH+](C)C)CCc1ccccc1F ZINC001207503150 813580546 /nfs/dbraw/zinc/58/05/46/813580546.db2.gz RWRSRHZWEXWYAS-UHFFFAOYSA-N 1 3 266.404 3.032 20 0 CGADHO Cc1ccc([C@H](C)CCN2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC001208165610 813721001 /nfs/dbraw/zinc/72/10/01/813721001.db2.gz GMZVGAPXXAJALM-PBHICJAKSA-N 1 3 276.424 3.109 20 0 CGADHO Cc1ccc([C@H](C)CCN2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC001208165610 813721008 /nfs/dbraw/zinc/72/10/08/813721008.db2.gz GMZVGAPXXAJALM-PBHICJAKSA-N 1 3 276.424 3.109 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434496 814035515 /nfs/dbraw/zinc/03/55/15/814035515.db2.gz YYBSQOJEAKQPAX-LULLPPNCSA-N 1 3 284.447 3.096 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434496 814035521 /nfs/dbraw/zinc/03/55/21/814035521.db2.gz YYBSQOJEAKQPAX-LULLPPNCSA-N 1 3 284.447 3.096 20 0 CGADHO Cc1cccc2c(CN3CCC4(C[NH+](C)C4)CC3)c[nH]c21 ZINC001209492694 814059776 /nfs/dbraw/zinc/05/97/76/814059776.db2.gz ISEQNQMREAGHIS-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO CNc1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)cc[nH+]1 ZINC001216336664 815789670 /nfs/dbraw/zinc/78/96/70/815789670.db2.gz DIXQKSCWTHIVSK-HNNXBMFYSA-N 1 3 298.390 3.252 20 0 CGADHO CNc1cc(Nc2cccc3c2OCC[C@H]3N(C)C)cc[nH+]1 ZINC001216336665 815789876 /nfs/dbraw/zinc/78/98/76/815789876.db2.gz DIXQKSCWTHIVSK-OAHLLOKOSA-N 1 3 298.390 3.252 20 0 CGADHO Oc1ccc(CN2CCC3(CCC[NH2+]C3)CC2)c(Cl)c1 ZINC001222452252 816448995 /nfs/dbraw/zinc/44/89/95/816448995.db2.gz DFTJMIHWYQEPQQ-UHFFFAOYSA-N 1 3 294.826 3.011 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615405 816478830 /nfs/dbraw/zinc/47/88/30/816478830.db2.gz PRJLICKWVUYLIA-HRCADAONSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615405 816478831 /nfs/dbraw/zinc/47/88/31/816478831.db2.gz PRJLICKWVUYLIA-HRCADAONSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232145922 818264142 /nfs/dbraw/zinc/26/41/42/818264142.db2.gz FJJQKPMPLLTLSP-OKILXGFUSA-N 1 3 278.415 3.365 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232145922 818264146 /nfs/dbraw/zinc/26/41/46/818264146.db2.gz FJJQKPMPLLTLSP-OKILXGFUSA-N 1 3 278.415 3.365 20 0 CGADHO CC(C)=CCC[C@@H](C)CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007355 818978630 /nfs/dbraw/zinc/97/86/30/818978630.db2.gz MLMJQOZKQFCSOT-QZTJIDSGSA-N 1 3 294.483 3.071 20 0 CGADHO CC(C)c1ccc(C[C@H](C)CN2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025248 818980910 /nfs/dbraw/zinc/98/09/10/818980910.db2.gz YTJWREGZPSAAJU-INIZCTEOSA-N 1 3 286.463 3.284 20 0 CGADHO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC3(CNC3)C2)cc1 ZINC001235025248 818980918 /nfs/dbraw/zinc/98/09/18/818980918.db2.gz YTJWREGZPSAAJU-INIZCTEOSA-N 1 3 286.463 3.284 20 0 CGADHO CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC3(CNC3)C2)cc1 ZINC001235025248 818980924 /nfs/dbraw/zinc/98/09/24/818980924.db2.gz YTJWREGZPSAAJU-INIZCTEOSA-N 1 3 286.463 3.284 20 0 CGADHO Cc1ccc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235041318 818987700 /nfs/dbraw/zinc/98/77/00/818987700.db2.gz PEIQAIGOMCZDDG-SFHVURJKSA-N 1 3 272.436 3.412 20 0 CGADHO C(CC1CCCCC1)CN1CCC12CC[NH2+]CC2 ZINC001235103614 819002976 /nfs/dbraw/zinc/00/29/76/819002976.db2.gz VLHKSKNZZMWODN-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO C(CC1CCCCC1)C[N@@H+]1CCC12CCNCC2 ZINC001235103614 819002981 /nfs/dbraw/zinc/00/29/81/819002981.db2.gz VLHKSKNZZMWODN-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO C(CC1CCCCC1)C[N@H+]1CCC12CCNCC2 ZINC001235103614 819002986 /nfs/dbraw/zinc/00/29/86/819002986.db2.gz VLHKSKNZZMWODN-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO Cc1ccc2ccccc2c1CN1CCC12CC[NH2+]CC2 ZINC001235101832 819003124 /nfs/dbraw/zinc/00/31/24/819003124.db2.gz GVOPSUNPJDZFRV-UHFFFAOYSA-N 1 3 280.415 3.476 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC12CCNCC2 ZINC001235101832 819003126 /nfs/dbraw/zinc/00/31/26/819003126.db2.gz GVOPSUNPJDZFRV-UHFFFAOYSA-N 1 3 280.415 3.476 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC12CCNCC2 ZINC001235101832 819003129 /nfs/dbraw/zinc/00/31/29/819003129.db2.gz GVOPSUNPJDZFRV-UHFFFAOYSA-N 1 3 280.415 3.476 20 0 CGADHO Cc1cc(CN2CCC3(CC[NH2+]CC3)CC2)cc(F)c1F ZINC001235132584 819013384 /nfs/dbraw/zinc/01/33/84/819013384.db2.gz ILVCITDDPYWQSM-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO Cc1cccc2c(CN3CCC4(CC[NH2+]CC4)CC3)c[nH]c21 ZINC001235134774 819015240 /nfs/dbraw/zinc/01/52/40/819015240.db2.gz DPXODTXIARPPJE-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO CC/C=C\CCC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235170703 819023113 /nfs/dbraw/zinc/02/31/13/819023113.db2.gz FYJJWVNLLZTROP-MJSXRHKHSA-N 1 3 250.430 3.341 20 0 CGADHO CC/C=C\CCC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235170703 819023119 /nfs/dbraw/zinc/02/31/19/819023119.db2.gz FYJJWVNLLZTROP-MJSXRHKHSA-N 1 3 250.430 3.341 20 0 CGADHO Fc1ccc(CN2CCC(C3C[NH2+]C3)CC2)cc1C1CC1 ZINC001235340998 819072163 /nfs/dbraw/zinc/07/21/63/819072163.db2.gz XHYOYEPLWFMFAQ-UHFFFAOYSA-N 1 3 288.410 3.135 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@H+](CCCCc1ccccc1)C2 ZINC001235399397 819084861 /nfs/dbraw/zinc/08/48/61/819084861.db2.gz AYINTRYTRGQBOH-ROUUACIJSA-N 1 3 290.426 3.033 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399397 819084862 /nfs/dbraw/zinc/08/48/62/819084862.db2.gz AYINTRYTRGQBOH-ROUUACIJSA-N 1 3 290.426 3.033 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235407485 819087647 /nfs/dbraw/zinc/08/76/47/819087647.db2.gz SMTCHYMUOGQDOG-GVDBMIGSSA-N 1 3 282.447 3.392 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235407485 819087651 /nfs/dbraw/zinc/08/76/51/819087651.db2.gz SMTCHYMUOGQDOG-GVDBMIGSSA-N 1 3 282.447 3.392 20 0 CGADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)CCCN ZINC001235435300 819098368 /nfs/dbraw/zinc/09/83/68/819098368.db2.gz HVHQVHWJLXTYJD-HNNXBMFYSA-N 1 3 276.468 3.443 20 0 CGADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCCN ZINC001235435300 819098371 /nfs/dbraw/zinc/09/83/71/819098371.db2.gz HVHQVHWJLXTYJD-HNNXBMFYSA-N 1 3 276.468 3.443 20 0 CGADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN(C)CCC[NH3+] ZINC001235435300 819098375 /nfs/dbraw/zinc/09/83/75/819098375.db2.gz HVHQVHWJLXTYJD-HNNXBMFYSA-N 1 3 276.468 3.443 20 0 CGADHO C[NH2+]CC1CCN(Cc2c(C)cccc2Cl)CC1 ZINC001235678559 819137941 /nfs/dbraw/zinc/13/79/41/819137941.db2.gz MWYPQWXWINALCL-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)N1CCCC2(C[NH2+]C2)C1 ZINC001235711577 819149150 /nfs/dbraw/zinc/14/91/50/819149150.db2.gz RDWFSIJCJJEYIW-UHFFFAOYSA-N 1 3 288.479 3.278 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCCC2(CNC2)C1 ZINC001235711577 819149153 /nfs/dbraw/zinc/14/91/53/819149153.db2.gz RDWFSIJCJJEYIW-UHFFFAOYSA-N 1 3 288.479 3.278 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCC2(CNC2)C1 ZINC001235711577 819149156 /nfs/dbraw/zinc/14/91/56/819149156.db2.gz RDWFSIJCJJEYIW-UHFFFAOYSA-N 1 3 288.479 3.278 20 0 CGADHO CCN(Cc1ccc(-n2cccc2)cc1)C1CC[NH2+]CC1 ZINC001235762953 819163516 /nfs/dbraw/zinc/16/35/16/819163516.db2.gz XFVVQFGTTAGVDW-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO CC[N@H+](Cc1ccc(-n2cccc2)cc1)C1CCNCC1 ZINC001235762953 819163520 /nfs/dbraw/zinc/16/35/20/819163520.db2.gz XFVVQFGTTAGVDW-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO CC[N@@H+](Cc1ccc(-n2cccc2)cc1)C1CCNCC1 ZINC001235762953 819163523 /nfs/dbraw/zinc/16/35/23/819163523.db2.gz XFVVQFGTTAGVDW-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO CC(C)(C)c1cccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1 ZINC001235811698 819173697 /nfs/dbraw/zinc/17/36/97/819173697.db2.gz UJUYODAJXOZTPD-BJWYYQGGSA-N 1 3 272.436 3.438 20 0 CGADHO [NH3+]CCC1CN(Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001235918546 819220465 /nfs/dbraw/zinc/22/04/65/819220465.db2.gz FJYXUMCWWAEYRQ-UHFFFAOYSA-N 1 3 282.387 3.260 20 0 CGADHO Cc1cc(CN2CCC[C@H]2CC[NH3+])ccc1OC(C)C ZINC001235926324 819226720 /nfs/dbraw/zinc/22/67/20/819226720.db2.gz YGEDXGJNCFJVKS-INIZCTEOSA-N 1 3 276.424 3.095 20 0 CGADHO CCCCc1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235939051 819232853 /nfs/dbraw/zinc/23/28/53/819232853.db2.gz NVCLPERFKTXERM-MSOLQXFVSA-N 1 3 272.436 3.071 20 0 CGADHO CN(Cc1cccc2[nH]cc(Cl)c21)C[C@H]1CCC[NH2+]C1 ZINC001235950365 819240638 /nfs/dbraw/zinc/24/06/38/819240638.db2.gz CMZAQMZPMAAQLK-LBPRGKRZSA-N 1 3 291.826 3.253 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](N)C[C@H](C)C1 ZINC001236044837 819281488 /nfs/dbraw/zinc/28/14/88/819281488.db2.gz AMLITGNTVQYKBY-XJKSGUPXSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](N)C[C@H](C)C1 ZINC001236044837 819281492 /nfs/dbraw/zinc/28/14/92/819281492.db2.gz AMLITGNTVQYKBY-XJKSGUPXSA-N 1 3 268.404 3.317 20 0 CGADHO C[N@H+](Cc1cccc2ccoc21)[C@H]1CCCC[C@H]1N ZINC001236219233 819386851 /nfs/dbraw/zinc/38/68/51/819386851.db2.gz UWLLBSIYBITOSX-CABCVRRESA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2ccoc21)[C@H]1CCCC[C@H]1N ZINC001236219233 819386855 /nfs/dbraw/zinc/38/68/55/819386855.db2.gz UWLLBSIYBITOSX-CABCVRRESA-N 1 3 258.365 3.135 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414647 819459924 /nfs/dbraw/zinc/45/99/24/819459924.db2.gz LOUGRWIIUVDVJE-WMZOPIPTSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414647 819459927 /nfs/dbraw/zinc/45/99/27/819459927.db2.gz LOUGRWIIUVDVJE-WMZOPIPTSA-N 1 3 290.451 3.185 20 0 CGADHO CC(C)C[N@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCCNC1 ZINC001236474204 819492874 /nfs/dbraw/zinc/49/28/74/819492874.db2.gz OPYHOBNXWDTUKR-LJQANCHMSA-N 1 3 286.463 3.385 20 0 CGADHO CC(C)C[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCCNC1 ZINC001236474204 819492880 /nfs/dbraw/zinc/49/28/80/819492880.db2.gz OPYHOBNXWDTUKR-LJQANCHMSA-N 1 3 286.463 3.385 20 0 CGADHO CC/C=C\CCC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584756 819545467 /nfs/dbraw/zinc/54/54/67/819545467.db2.gz SGHJRVSLXWMZAY-JZIMQPMSSA-N 1 3 250.430 3.197 20 0 CGADHO CC/C=C\CCC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584756 819545472 /nfs/dbraw/zinc/54/54/72/819545472.db2.gz SGHJRVSLXWMZAY-JZIMQPMSSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@]1(C[NH3+])CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC001236618157 819554269 /nfs/dbraw/zinc/55/42/69/819554269.db2.gz ZBZZGDXQLCKMPQ-QGZVFWFLSA-N 1 3 258.409 3.125 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC001236817236 819606480 /nfs/dbraw/zinc/60/64/80/819606480.db2.gz AMUUBVUPZJYUEC-APHBMKBZSA-N 1 3 278.465 3.260 20 0 CGADHO CCCN(Cc1cccc2c1CCCC2)C[C@@H]1CC[NH2+]C1 ZINC001236843215 819618490 /nfs/dbraw/zinc/61/84/90/819618490.db2.gz LSDILOFQDHLJAN-MRXNPFEDSA-N 1 3 286.463 3.387 20 0 CGADHO Fc1ccccc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236950119 819638408 /nfs/dbraw/zinc/63/84/08/819638408.db2.gz YVAWWJYDJRYPNK-UHFFFAOYSA-N 1 3 290.426 3.427 20 0 CGADHO C[NH+]1CCC(c2ccc(-c3cc(N)ccn3)cc2)CC1 ZINC001243650322 823475039 /nfs/dbraw/zinc/47/50/39/823475039.db2.gz LESSRACRENGUQA-UHFFFAOYSA-N 1 3 267.376 3.140 20 0 CGADHO Fc1cc(C=C2CC[NH2+]CC2)ccc1CN1CCCC1 ZINC001240879629 821387875 /nfs/dbraw/zinc/38/78/75/821387875.db2.gz VHGJDVXZKDKNHW-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO Fc1c(C=C2CC[NH2+]CC2)cccc1CN1CCCC1 ZINC001240879700 821388293 /nfs/dbraw/zinc/38/82/93/821388293.db2.gz XWEMUJWTQQLMTP-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO CC[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC001339458742 936374032 /nfs/dbraw/zinc/37/40/32/936374032.db2.gz NALULPDSHZGPFL-KRWDZBQOSA-N 1 3 281.403 3.182 20 0 CGADHO Cc1cccnc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC001342118043 936460061 /nfs/dbraw/zinc/46/00/61/936460061.db2.gz HCFVLKRKADFISZ-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1cccnc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC001342118043 936460062 /nfs/dbraw/zinc/46/00/62/936460062.db2.gz HCFVLKRKADFISZ-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc(F)ccc3F)C[C@H]2C1 ZINC001343332427 936495276 /nfs/dbraw/zinc/49/52/76/936495276.db2.gz DHRXBKUKOAGWNZ-XJKCOSOUSA-N 1 3 294.389 3.127 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCN(c3ccncc3)C[C@H]2C)C1 ZINC001460799574 937545929 /nfs/dbraw/zinc/54/59/29/937545929.db2.gz FHWHNGXBQSHQGC-ZACQAIPSSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3ccncc3)C[C@H]2C)C1 ZINC001460799574 937545932 /nfs/dbraw/zinc/54/59/32/937545932.db2.gz FHWHNGXBQSHQGC-ZACQAIPSSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462131855 937620157 /nfs/dbraw/zinc/62/01/57/937620157.db2.gz BPDKVWKSXKUQSD-FAEJEUNOSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1C ZINC001308087995 933046081 /nfs/dbraw/zinc/04/60/81/933046081.db2.gz CIEQUOVNFCICOR-KRWDZBQOSA-N 1 3 295.430 3.409 20 0 CGADHO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001462673631 937658857 /nfs/dbraw/zinc/65/88/57/937658857.db2.gz XULMIXQNDNLSES-CWVYHPPDSA-N 1 3 264.457 3.131 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001308986911 933222842 /nfs/dbraw/zinc/22/28/42/933222842.db2.gz DKDVXWKHDKNNNB-FXUDXRNXSA-N 1 3 252.446 3.275 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC001319911567 933956930 /nfs/dbraw/zinc/95/69/30/933956930.db2.gz MDNNHQIDMGATQG-UONOGXRCSA-N 1 3 294.414 3.217 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](C)c1cccc2ccccc21 ZINC001326034830 934944518 /nfs/dbraw/zinc/94/45/18/934944518.db2.gz AJSWYKQVNDLFFI-KGLIPLIRSA-N 1 3 256.393 3.488 20 0 CGADHO c1ccc([C@H]2CSCCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC001333159929 935515059 /nfs/dbraw/zinc/51/50/59/935515059.db2.gz BGNKIZLYNPPIKD-DOTOQJQBSA-N 1 3 290.476 3.166 20 0 CGADHO C[C@H](C[NH2+]CCCC(F)(F)F)CN1CCCCC1 ZINC001333657233 935557362 /nfs/dbraw/zinc/55/73/62/935557362.db2.gz APZRRWPKKGSBHF-GFCCVEGCSA-N 1 3 266.351 3.041 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C[C@H](C)O1 ZINC001474016108 937835340 /nfs/dbraw/zinc/83/53/40/937835340.db2.gz MHOBFHYWIWADSP-IJTOGUNISA-N 1 3 294.483 3.044 20 0 CGADHO COC[C@H](CC(C)(C)C)NCCC[N@H+](C)CC(C)C ZINC001474611637 937870013 /nfs/dbraw/zinc/87/00/13/937870013.db2.gz MXXPUKZNKMWVTG-HNNXBMFYSA-N 1 3 272.477 3.005 20 0 CGADHO COC[C@H](CC(C)(C)C)NCCC[N@@H+](C)CC(C)C ZINC001474611637 937870015 /nfs/dbraw/zinc/87/00/15/937870015.db2.gz MXXPUKZNKMWVTG-HNNXBMFYSA-N 1 3 272.477 3.005 20 0 CGADHO Cc1ccccc1CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001474757849 937879166 /nfs/dbraw/zinc/87/91/66/937879166.db2.gz RFEMBDBIBSINLS-KDURUIRLSA-N 1 3 284.447 3.303 20 0 CGADHO Cc1ccccc1CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001474757849 937879168 /nfs/dbraw/zinc/87/91/68/937879168.db2.gz RFEMBDBIBSINLS-KDURUIRLSA-N 1 3 284.447 3.303 20 0 CGADHO c1coc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC001551377577 938180395 /nfs/dbraw/zinc/18/03/95/938180395.db2.gz GEJDAALFGJGYGI-NCOADZHNSA-N 1 3 288.435 3.141 20 0 CGADHO CC[C@H](N[C@@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccccc1 ZINC001551378090 938180644 /nfs/dbraw/zinc/18/06/44/938180644.db2.gz MAQNTLBZPHMHAM-KSZLIROESA-N 1 3 266.388 3.352 20 0 CGADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@H]1C[C@@H]1C ZINC001551403757 938181743 /nfs/dbraw/zinc/18/17/43/938181743.db2.gz YRZBDIWHICCSDY-NOVHTQIQSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001553025829 938196088 /nfs/dbraw/zinc/19/60/88/938196088.db2.gz JTEYJYOYUPHAGD-FQUUOJAGSA-N 1 3 286.410 3.178 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H](C)CN(C)C)CC1CCCCC1 ZINC001560488142 938260231 /nfs/dbraw/zinc/26/02/31/938260231.db2.gz SXIKDYNKPHBWMO-HUUCEWRRSA-N 1 3 254.462 3.380 20 0 CGADHO C[NH2+]Cc1cccc(Nc2ccc(CN3CCCC3)cn2)c1 ZINC001165139643 958840441 /nfs/dbraw/zinc/84/04/41/958840441.db2.gz CCFXGICYDOERQL-UHFFFAOYSA-N 1 3 296.418 3.140 20 0 CGADHO CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@@H]2CCN)C1 ZINC001576427286 962461096 /nfs/dbraw/zinc/46/10/96/962461096.db2.gz VMDKMCHHZMRSBD-LSDHHAIUSA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCC[C@H](C[N@H+]2CCCC[C@@H]2CCN)C1 ZINC001576427286 962461108 /nfs/dbraw/zinc/46/11/08/962461108.db2.gz VMDKMCHHZMRSBD-LSDHHAIUSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@]1(C[NH2+]CCC2CCCCCC2)CCCNC1 ZINC001576526111 962466318 /nfs/dbraw/zinc/46/63/18/962466318.db2.gz NRWAFOMWHCSNAL-MRXNPFEDSA-N 1 3 252.446 3.326 20 0 CGADHO CCC(CC)(C[NH3+])CN1CCC[C@H]1c1ccc(COC)o1 ZINC001577051515 962508740 /nfs/dbraw/zinc/50/87/40/962508740.db2.gz SFNQTUIJDMCGES-HNNXBMFYSA-N 1 3 294.439 3.328 20 0 CGADHO CCC[C@@H](CC)[NH2+]Cc1cc2c(s1)CCNC2 ZINC001577352643 962527675 /nfs/dbraw/zinc/52/76/75/962527675.db2.gz DECRFHNYBCBXGO-GFCCVEGCSA-N 1 3 252.427 3.062 20 0 CGADHO CCOc1cccc(CNCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC001578191816 962571884 /nfs/dbraw/zinc/57/18/84/962571884.db2.gz HPWJSHSPQDJRRI-SFHVURJKSA-N 1 3 298.430 3.135 20 0 CGADHO COc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001579216093 962612013 /nfs/dbraw/zinc/61/20/13/962612013.db2.gz CATUIIRJUYYNMW-GJZGRUSLSA-N 1 3 298.430 3.326 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC2(CN)CC2)c1 ZINC001579671694 962654007 /nfs/dbraw/zinc/65/40/07/962654007.db2.gz KURPBTLDMLQWIU-MRXNPFEDSA-N 1 3 258.409 3.179 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2CC2(CN)CC2)c1 ZINC001579671694 962654013 /nfs/dbraw/zinc/65/40/13/962654013.db2.gz KURPBTLDMLQWIU-MRXNPFEDSA-N 1 3 258.409 3.179 20 0 CGADHO Cc1cccc2[nH]c(CN[C@H]3CC[NH2+]CC(C)(C)C3)cc21 ZINC001579776808 962672600 /nfs/dbraw/zinc/67/26/00/962672600.db2.gz RVYBDOJSFMSCQR-AWEZNQCLSA-N 1 3 285.435 3.344 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000337412202 214066210 /nfs/dbraw/zinc/06/62/10/214066210.db2.gz WQZZTYBENDLCML-ZFWWWQNUSA-N 1 3 282.472 3.090 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069746 192036357 /nfs/dbraw/zinc/03/63/57/192036357.db2.gz NCLBJLFEKRQPAQ-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000337986681 282147790 /nfs/dbraw/zinc/14/77/90/282147790.db2.gz POWLLBNJJXJYNL-ROUUACIJSA-N 1 3 272.436 3.417 20 0 CGADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccccc1Cl)C(C)C ZINC000422749573 293096513 /nfs/dbraw/zinc/09/65/13/293096513.db2.gz ZSNIEXKVFAZZAY-XJKSGUPXSA-N 1 3 298.858 3.381 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000651866223 398298845 /nfs/dbraw/zinc/29/88/45/398298845.db2.gz ZWRZNTVUCPRPCU-OKZBNKHCSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337995626 214350967 /nfs/dbraw/zinc/35/09/67/214350967.db2.gz IYRZHXVRTGVHOT-HUUCEWRRSA-N 1 3 258.425 3.225 20 0 CGADHO CC[N@H+](CCCN[C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000651910536 398305333 /nfs/dbraw/zinc/30/53/33/398305333.db2.gz XTDJOJIFQSCMGO-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000651910536 398305335 /nfs/dbraw/zinc/30/53/35/398305335.db2.gz XTDJOJIFQSCMGO-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456932 529453303 /nfs/dbraw/zinc/45/33/03/529453303.db2.gz DYKRZSNYMOWODQ-GUYCJALGSA-N 1 3 269.392 3.137 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)CC1 ZINC000277159480 282188139 /nfs/dbraw/zinc/18/81/39/282188139.db2.gz KBJFTRVSLKOCJI-AEFFLSMTSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)CC1 ZINC000277159480 282188140 /nfs/dbraw/zinc/18/81/40/282188140.db2.gz KBJFTRVSLKOCJI-AEFFLSMTSA-N 1 3 272.436 3.480 20 0 CGADHO C[NH+](C)[C@@H]1CCCN([C@H]2CCCc3ccccc32)CC1 ZINC000277159480 282188142 /nfs/dbraw/zinc/18/81/42/282188142.db2.gz KBJFTRVSLKOCJI-AEFFLSMTSA-N 1 3 272.436 3.480 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000423477351 529568649 /nfs/dbraw/zinc/56/86/49/529568649.db2.gz TVAOZWFWNGKCBF-CJNGLKHVSA-N 1 3 260.381 3.457 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)c1cccs1 ZINC000126091088 187215781 /nfs/dbraw/zinc/21/57/81/187215781.db2.gz MGJIHCLRUOXTNM-OLZOCXBDSA-N 1 3 266.454 3.133 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000414072471 529593385 /nfs/dbraw/zinc/59/33/85/529593385.db2.gz DVSJHAVZHWUVFR-JLSDUUJJSA-N 1 3 287.451 3.322 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H]1CC1(C)C ZINC000423388232 529629540 /nfs/dbraw/zinc/62/95/40/529629540.db2.gz NIFUMLVAKJMRDG-CVEARBPZSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364510 349790955 /nfs/dbraw/zinc/79/09/55/349790955.db2.gz APYVFBQQDUEKPD-PMPSAXMXSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364510 349790956 /nfs/dbraw/zinc/79/09/56/349790956.db2.gz APYVFBQQDUEKPD-PMPSAXMXSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1F ZINC000423270138 529655642 /nfs/dbraw/zinc/65/56/42/529655642.db2.gz GDCYUUDXBVWBJV-VBNZEHGJSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1F ZINC000423270135 529669923 /nfs/dbraw/zinc/66/99/23/529669923.db2.gz GDCYUUDXBVWBJV-KCXAZCMYSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000423380766 529671831 /nfs/dbraw/zinc/67/18/31/529671831.db2.gz NXPNTHNBUSHWDN-ZLDLUXBVSA-N 1 3 298.377 3.469 20 0 CGADHO CCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1F ZINC000623407495 349800458 /nfs/dbraw/zinc/80/04/58/349800458.db2.gz IOFDQUFAQYZWHZ-AWEZNQCLSA-N 1 3 294.414 3.187 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623433102 349808666 /nfs/dbraw/zinc/80/86/66/349808666.db2.gz ZXPJPOKCAQPZQB-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623433102 349808668 /nfs/dbraw/zinc/80/86/68/349808668.db2.gz ZXPJPOKCAQPZQB-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503342 349822038 /nfs/dbraw/zinc/82/20/38/349822038.db2.gz WBLWNHBCMQLQGB-NEPJUHHUSA-N 1 3 280.378 3.426 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503342 349822039 /nfs/dbraw/zinc/82/20/39/349822039.db2.gz WBLWNHBCMQLQGB-NEPJUHHUSA-N 1 3 280.378 3.426 20 0 CGADHO CC[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492879 349820244 /nfs/dbraw/zinc/82/02/44/349820244.db2.gz MYIUIKZZGDXLHX-GHMZBOCLSA-N 1 3 266.351 3.180 20 0 CGADHO CC[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492879 349820245 /nfs/dbraw/zinc/82/02/45/349820245.db2.gz MYIUIKZZGDXLHX-GHMZBOCLSA-N 1 3 266.351 3.180 20 0 CGADHO CC(C)CC[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000623646605 349854585 /nfs/dbraw/zinc/85/45/85/349854585.db2.gz KFBVOLGHGGHYAF-KRWDZBQOSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)CC[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000623646605 349854588 /nfs/dbraw/zinc/85/45/88/349854588.db2.gz KFBVOLGHGGHYAF-KRWDZBQOSA-N 1 3 296.499 3.170 20 0 CGADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623654615 349856938 /nfs/dbraw/zinc/85/69/38/349856938.db2.gz DOHBDRRBXDNTJU-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000623656596 349857682 /nfs/dbraw/zinc/85/76/82/349857682.db2.gz YBOVSUGIOMCJSJ-CGICMKJESA-N 1 3 258.409 3.021 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)C(C)(C)c1ccccc1 ZINC000423286930 282307874 /nfs/dbraw/zinc/30/78/74/282307874.db2.gz JMXZMOCDMRQYLJ-CQSZACIVSA-N 1 3 262.441 3.460 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000423270324 529999451 /nfs/dbraw/zinc/99/94/51/529999451.db2.gz HSKKBSGTSLCSMC-RDJZCZTQSA-N 1 3 262.441 3.089 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423270289 530000047 /nfs/dbraw/zinc/00/00/47/530000047.db2.gz HQDPDXQHFDEHAR-BJJXKVORSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423270289 530000048 /nfs/dbraw/zinc/00/00/48/530000048.db2.gz HQDPDXQHFDEHAR-BJJXKVORSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000044534873 345013212 /nfs/dbraw/zinc/01/32/12/345013212.db2.gz YMHFVIBZFIBHSO-OLZOCXBDSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534873 345013214 /nfs/dbraw/zinc/01/32/14/345013214.db2.gz YMHFVIBZFIBHSO-OLZOCXBDSA-N 1 3 266.816 3.332 20 0 CGADHO c1ccc(CC2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000090581175 345790335 /nfs/dbraw/zinc/79/03/35/345790335.db2.gz QAMVPCOXXJEHBK-QZTJIDSGSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(CC2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000090581175 345790339 /nfs/dbraw/zinc/79/03/39/345790339.db2.gz QAMVPCOXXJEHBK-QZTJIDSGSA-N 1 3 284.447 3.226 20 0 CGADHO CS[C@H](C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000090726128 345793228 /nfs/dbraw/zinc/79/32/28/345793228.db2.gz CJACFKHBFHDRMT-CYBMUJFWSA-N 1 3 270.486 3.125 20 0 CGADHO CS[C@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090726128 345793230 /nfs/dbraw/zinc/79/32/30/345793230.db2.gz CJACFKHBFHDRMT-CYBMUJFWSA-N 1 3 270.486 3.125 20 0 CGADHO CCc1ccc(C[NH2+]CC2(N)CCCCC2)s1 ZINC000225372539 346303961 /nfs/dbraw/zinc/30/39/61/346303961.db2.gz RWSNPQBPWKHSOB-UHFFFAOYSA-N 1 3 252.427 3.062 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C(C1CC1)C1CC1 ZINC000250895497 346387037 /nfs/dbraw/zinc/38/70/37/346387037.db2.gz YLWUOHKFQZPIFI-CGTJXYLNSA-N 1 3 276.468 3.323 20 0 CGADHO Cc1ccccc1CCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257667434 346400980 /nfs/dbraw/zinc/40/09/80/346400980.db2.gz HPYREZRKBXRPSZ-SFHVURJKSA-N 1 3 272.436 3.003 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257667434 346400984 /nfs/dbraw/zinc/40/09/84/346400984.db2.gz HPYREZRKBXRPSZ-SFHVURJKSA-N 1 3 272.436 3.003 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257667434 346400988 /nfs/dbraw/zinc/40/09/88/346400988.db2.gz HPYREZRKBXRPSZ-SFHVURJKSA-N 1 3 272.436 3.003 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000252212522 346390737 /nfs/dbraw/zinc/39/07/37/346390737.db2.gz YLOZNUQOEVGDRY-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H](F)CC[N@@H+](C)[C@H]1CCCN(CC[C@H](C)F)CC1 ZINC000351729055 219189369 /nfs/dbraw/zinc/18/93/69/219189369.db2.gz CFGFJYGINBKDMA-ILXRZTDVSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(CC[C@H](C)F)CC1 ZINC000351729055 219189372 /nfs/dbraw/zinc/18/93/72/219189372.db2.gz CFGFJYGINBKDMA-ILXRZTDVSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H](F)CCN(C)[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729055 219189373 /nfs/dbraw/zinc/18/93/73/219189373.db2.gz CFGFJYGINBKDMA-ILXRZTDVSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H](F)CCN(C)[C@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729055 219189376 /nfs/dbraw/zinc/18/93/76/219189376.db2.gz CFGFJYGINBKDMA-ILXRZTDVSA-N 1 3 276.415 3.269 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC000624122327 349981246 /nfs/dbraw/zinc/98/12/46/349981246.db2.gz OKVDLIIRTREZGC-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC000624122327 349981249 /nfs/dbraw/zinc/98/12/49/349981249.db2.gz OKVDLIIRTREZGC-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000624122327 349981252 /nfs/dbraw/zinc/98/12/52/349981252.db2.gz OKVDLIIRTREZGC-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000624123169 349982941 /nfs/dbraw/zinc/98/29/41/349982941.db2.gz HBWYPQKZCXNSGD-QFBILLFUSA-N 1 3 286.463 3.256 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123506 349983193 /nfs/dbraw/zinc/98/31/93/349983193.db2.gz NGPXTNISSIOAME-XUWVNRHRSA-N 1 3 264.457 3.133 20 0 CGADHO C/C=C/CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624198752 349999776 /nfs/dbraw/zinc/99/97/76/349999776.db2.gz XAUYOBMTRPPEFA-OISMPBJASA-N 1 3 270.420 3.348 20 0 CGADHO C/C=C/CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198752 349999780 /nfs/dbraw/zinc/99/97/80/349999780.db2.gz XAUYOBMTRPPEFA-OISMPBJASA-N 1 3 270.420 3.348 20 0 CGADHO c1nc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cs1 ZINC000358040047 233044297 /nfs/dbraw/zinc/04/42/97/233044297.db2.gz BLJODMPQWQEJLE-UHFFFAOYSA-N 1 3 293.480 3.072 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000358141836 233063722 /nfs/dbraw/zinc/06/37/22/233063722.db2.gz ZXEVZMXXFRUDKS-CABCVRRESA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000358141836 233063724 /nfs/dbraw/zinc/06/37/24/233063724.db2.gz ZXEVZMXXFRUDKS-CABCVRRESA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000339504359 215214736 /nfs/dbraw/zinc/21/47/36/215214736.db2.gz INMXHBQNICMHNE-UHFFFAOYSA-N 1 3 264.388 3.181 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358195849 233078488 /nfs/dbraw/zinc/07/84/88/233078488.db2.gz CWCHEXYBGLOCNU-GDBMZVCRSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000358195849 233078491 /nfs/dbraw/zinc/07/84/91/233078491.db2.gz CWCHEXYBGLOCNU-GDBMZVCRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC000358293625 233100800 /nfs/dbraw/zinc/10/08/00/233100800.db2.gz AJTGDEVTEKJMDU-AHCXZYCDSA-N 1 3 294.483 3.187 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271346834 191086988 /nfs/dbraw/zinc/08/69/88/191086988.db2.gz XVIVQFWFPLDMHB-LSDHHAIUSA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271346834 191086991 /nfs/dbraw/zinc/08/69/91/191086991.db2.gz XVIVQFWFPLDMHB-LSDHHAIUSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359737 191094745 /nfs/dbraw/zinc/09/47/45/191094745.db2.gz ZUHQDAWKPGLCFO-NVXWUHKLSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359737 191094746 /nfs/dbraw/zinc/09/47/46/191094746.db2.gz ZUHQDAWKPGLCFO-NVXWUHKLSA-N 1 3 276.399 3.099 20 0 CGADHO Cc1nc(C)c(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000628202600 350438784 /nfs/dbraw/zinc/43/87/84/350438784.db2.gz AEFIDPWITAKROS-OKILXGFUSA-N 1 3 293.455 3.139 20 0 CGADHO Cc1nc(C)c(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000628202600 350438787 /nfs/dbraw/zinc/43/87/87/350438787.db2.gz AEFIDPWITAKROS-OKILXGFUSA-N 1 3 293.455 3.139 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628204608 350439042 /nfs/dbraw/zinc/43/90/42/350439042.db2.gz FRWJAKDSQNWIPR-HZPDHXFCSA-N 1 3 260.425 3.030 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190499 350432612 /nfs/dbraw/zinc/43/26/12/350432612.db2.gz IDVRXTBPZOMERR-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190499 350432616 /nfs/dbraw/zinc/43/26/16/350432616.db2.gz IDVRXTBPZOMERR-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190499 350432617 /nfs/dbraw/zinc/43/26/17/350432617.db2.gz IDVRXTBPZOMERR-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190499 350432620 /nfs/dbraw/zinc/43/26/20/350432620.db2.gz IDVRXTBPZOMERR-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280854 350476396 /nfs/dbraw/zinc/47/63/96/350476396.db2.gz MIEQSVRIWDDHIA-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280854 350476399 /nfs/dbraw/zinc/47/63/99/350476399.db2.gz MIEQSVRIWDDHIA-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280854 350476403 /nfs/dbraw/zinc/47/64/03/350476403.db2.gz MIEQSVRIWDDHIA-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280854 350476406 /nfs/dbraw/zinc/47/64/06/350476406.db2.gz MIEQSVRIWDDHIA-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CN1 ZINC000629535149 350705259 /nfs/dbraw/zinc/70/52/59/350705259.db2.gz CCRGSMOSVGZANX-WVZRYYJFSA-N 1 3 258.409 3.355 20 0 CGADHO C[C@@H](NCCOCCC[NH3+])c1cccc(-c2ccccc2)c1 ZINC000629541572 350707463 /nfs/dbraw/zinc/70/74/63/350707463.db2.gz QXATYTITXVHLQO-MRXNPFEDSA-N 1 3 298.430 3.370 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544275 350709681 /nfs/dbraw/zinc/70/96/81/350709681.db2.gz HGTWCAAVDMQSKY-NXEZZACHSA-N 1 3 297.805 3.218 20 0 CGADHO C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)C1(F)F ZINC000629554390 350712216 /nfs/dbraw/zinc/71/22/16/350712216.db2.gz ZUVDSFFCCAEFSR-BETUJISGSA-N 1 3 294.389 3.055 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556585 350712887 /nfs/dbraw/zinc/71/28/87/350712887.db2.gz TVZLAMPIGHWJLS-QWRGUYRKSA-N 1 3 279.815 3.079 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565452 350713617 /nfs/dbraw/zinc/71/36/17/350713617.db2.gz VTJFSVCHZZQKJU-AAVRWANBSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1 ZINC000629565452 350713618 /nfs/dbraw/zinc/71/36/18/350713618.db2.gz VTJFSVCHZZQKJU-AAVRWANBSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1 ZINC000629565452 350713621 /nfs/dbraw/zinc/71/36/21/350713621.db2.gz VTJFSVCHZZQKJU-AAVRWANBSA-N 1 3 292.389 3.272 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629563499 350713906 /nfs/dbraw/zinc/71/39/06/350713906.db2.gz RAFYXFHCICIJAN-OLZOCXBDSA-N 1 3 278.362 3.026 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418324 350690932 /nfs/dbraw/zinc/69/09/32/350690932.db2.gz WHMZWZFRQHAXGJ-BGTYHANMSA-N 1 3 272.436 3.128 20 0 CGADHO C[C@H](CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000629656418 350731143 /nfs/dbraw/zinc/73/11/43/350731143.db2.gz OIEYYISJRZCUDA-WOPDTQHZSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1)C(C)(C)C ZINC000629656418 350731146 /nfs/dbraw/zinc/73/11/46/350731146.db2.gz OIEYYISJRZCUDA-WOPDTQHZSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1)C(C)(C)C ZINC000629656418 350731151 /nfs/dbraw/zinc/73/11/51/350731151.db2.gz OIEYYISJRZCUDA-WOPDTQHZSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](C)CN(C)C ZINC000631632299 351098142 /nfs/dbraw/zinc/09/81/42/351098142.db2.gz OVYPEWCVNFNKAI-LSDHHAIUSA-N 1 3 287.451 3.276 20 0 CGADHO c1ccc([C@@H]2CN(CC34CC(C3)C[NH2+]4)[C@H]3CCCC[C@H]23)cc1 ZINC000634995119 351619775 /nfs/dbraw/zinc/61/97/75/351619775.db2.gz VQOWAJMXKVFJLV-FLBZEUKHSA-N 1 3 296.458 3.397 20 0 CGADHO Cc1cc(C[N@@H+]2CCCCC[C@@H](N)C2)cc2cccnc12 ZINC000634997485 351621255 /nfs/dbraw/zinc/62/12/55/351621255.db2.gz MDFHYSWEYGBLQU-QGZVFWFLSA-N 1 3 283.419 3.247 20 0 CGADHO Cc1cc(C[N@H+]2CCCCC[C@@H](N)C2)cc2cccnc12 ZINC000634997485 351621257 /nfs/dbraw/zinc/62/12/57/351621257.db2.gz MDFHYSWEYGBLQU-QGZVFWFLSA-N 1 3 283.419 3.247 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CCSCC1 ZINC000635003811 351621638 /nfs/dbraw/zinc/62/16/38/351621638.db2.gz BIXKGBSAQZNOHT-PBHICJAKSA-N 1 3 292.492 3.068 20 0 CGADHO COc1ccc([C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003979 351621884 /nfs/dbraw/zinc/62/18/84/351621884.db2.gz GGIOOPRXVOVPJQ-YJBOKZPZSA-N 1 3 298.430 3.306 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000635004084 351621955 /nfs/dbraw/zinc/62/19/55/351621955.db2.gz NAHQNPLAECUQCT-FPCVCCKLSA-N 1 3 294.826 3.030 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005518 351623436 /nfs/dbraw/zinc/62/34/36/351623436.db2.gz OGXNHLJJRHZLJC-PVAVHDDUSA-N 1 3 260.425 3.115 20 0 CGADHO COc1cccc([C@H](C)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000635007372 351625399 /nfs/dbraw/zinc/62/53/99/351625399.db2.gz WDTSLSCWHSHORQ-YJBOKZPZSA-N 1 3 298.430 3.306 20 0 CGADHO N[C@H](CC[NH2+][C@H](C1CC1)C1CCC1)Cc1ccccc1 ZINC000635007946 351626481 /nfs/dbraw/zinc/62/64/81/351626481.db2.gz QKHLSXVLRZPGSU-MSOLQXFVSA-N 1 3 272.436 3.115 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010025 351628506 /nfs/dbraw/zinc/62/85/06/351628506.db2.gz IRQJXKXTWPOWIP-QWHCGFSZSA-N 1 3 266.454 3.485 20 0 CGADHO c1cncc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121890052 187003054 /nfs/dbraw/zinc/00/30/54/187003054.db2.gz YDVUMTSJHLELRR-UHFFFAOYSA-N 1 3 287.451 3.170 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423361659 290939169 /nfs/dbraw/zinc/93/91/69/290939169.db2.gz AKWQMMAHLYLBSP-GOEBONIOSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941416 187060929 /nfs/dbraw/zinc/06/09/29/187060929.db2.gz IFOAXUCXAQFKGN-VNQPRFMTSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941416 187060930 /nfs/dbraw/zinc/06/09/30/187060930.db2.gz IFOAXUCXAQFKGN-VNQPRFMTSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123194590 187077179 /nfs/dbraw/zinc/07/71/79/187077179.db2.gz BHSZRSWASLVNEA-YOEHRIQHSA-N 1 3 283.419 3.149 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123194590 187077180 /nfs/dbraw/zinc/07/71/80/187077180.db2.gz BHSZRSWASLVNEA-YOEHRIQHSA-N 1 3 283.419 3.149 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000363945041 234008433 /nfs/dbraw/zinc/00/84/33/234008433.db2.gz JBJJPSBGZDPBGT-VYDXJSESSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCSC2)CC1 ZINC000363945041 234008437 /nfs/dbraw/zinc/00/84/37/234008437.db2.gz JBJJPSBGZDPBGT-VYDXJSESSA-N 1 3 296.524 3.372 20 0 CGADHO Cc1cnc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)s1 ZINC000369347070 234370227 /nfs/dbraw/zinc/37/02/27/234370227.db2.gz DRPWVMDJVCFJFS-OAHLLOKOSA-N 1 3 293.480 3.115 20 0 CGADHO Fc1ccccc1CN(CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420325650 283028732 /nfs/dbraw/zinc/02/87/32/283028732.db2.gz WKSUGBKQKNSOHL-AWEZNQCLSA-N 1 3 276.399 3.180 20 0 CGADHO CCCCOc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271800202 191335750 /nfs/dbraw/zinc/33/57/50/191335750.db2.gz IVKJCVCKWBHWAW-UHFFFAOYSA-N 1 3 288.435 3.217 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172671 235353579 /nfs/dbraw/zinc/35/35/79/235353579.db2.gz DZRZSDQSKHJTEI-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172671 235353582 /nfs/dbraw/zinc/35/35/82/235353582.db2.gz DZRZSDQSKHJTEI-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCCC2CC[NH+](C)CC2)o1 ZINC000105454643 138352696 /nfs/dbraw/zinc/35/26/96/138352696.db2.gz SCPGCTFOACQQRL-CZUORRHYSA-N 1 3 276.424 3.225 20 0 CGADHO COc1ccccc1[C@@H](C)NCCC1CC[NH+](C)CC1 ZINC000125348576 138381441 /nfs/dbraw/zinc/38/14/41/138381441.db2.gz CWBIJTAANQJBQL-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000422745188 235912830 /nfs/dbraw/zinc/91/28/30/235912830.db2.gz XGRGQQOUPFEVLQ-KKUMJFAQSA-N 1 3 292.467 3.467 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699384 235905392 /nfs/dbraw/zinc/90/53/92/235905392.db2.gz DFNPGSXBMIBHGK-NEPJUHHUSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699384 235905395 /nfs/dbraw/zinc/90/53/95/235905395.db2.gz DFNPGSXBMIBHGK-NEPJUHHUSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422941642 235946403 /nfs/dbraw/zinc/94/64/03/235946403.db2.gz VFBXKHCHNXMDSC-TUAOUCFPSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422941642 235946406 /nfs/dbraw/zinc/94/64/06/235946406.db2.gz VFBXKHCHNXMDSC-TUAOUCFPSA-N 1 3 288.357 3.352 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423125321 235977144 /nfs/dbraw/zinc/97/71/44/235977144.db2.gz QIYCPLNAPXMRNZ-XWTMOSNGSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423226350 236002232 /nfs/dbraw/zinc/00/22/32/236002232.db2.gz QKFFZTWTLWOHKL-KSSFIOAISA-N 1 3 286.394 3.436 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423228227 236003116 /nfs/dbraw/zinc/00/31/16/236003116.db2.gz YVLKHMIPPACQSZ-BLLLJJGKSA-N 1 3 264.388 3.384 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423312759 236035039 /nfs/dbraw/zinc/03/50/39/236035039.db2.gz VOIFXHQTDWFQLI-IAQYHMDHSA-N 1 3 266.816 3.366 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc2ccccc2c1 ZINC000423328031 236040474 /nfs/dbraw/zinc/04/04/74/236040474.db2.gz RUPBVSKVWMPIQY-YVEFUNNKSA-N 1 3 254.377 3.228 20 0 CGADHO CCC[N@H+](C[C@@H]1CCCNC1)[C@H]1CCc2ccccc2C1 ZINC000261595958 283280278 /nfs/dbraw/zinc/28/02/78/283280278.db2.gz JLMNWUGQNMAHIO-APWZRJJASA-N 1 3 286.463 3.256 20 0 CGADHO CCC[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCc2ccccc2C1 ZINC000261595958 283280279 /nfs/dbraw/zinc/28/02/79/283280279.db2.gz JLMNWUGQNMAHIO-APWZRJJASA-N 1 3 286.463 3.256 20 0 CGADHO C[C@H](CCCc1cccnc1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423387993 236060215 /nfs/dbraw/zinc/06/02/15/236060215.db2.gz MKENIXFKBNFTRW-WBVHZDCISA-N 1 3 289.467 3.161 20 0 CGADHO Cc1cc([C@H]([NH2+][C@H]2CCNC[C@@H]2C)C2CC2)ccc1F ZINC000423390199 236060221 /nfs/dbraw/zinc/06/02/21/236060221.db2.gz JVZKGHMPVGUXIZ-AFAVFJNCSA-N 1 3 276.399 3.173 20 0 CGADHO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)CNC3)C2 ZINC000423391704 236061228 /nfs/dbraw/zinc/06/12/28/236061228.db2.gz POVYWMRZHGIMRQ-GOSISDBHSA-N 1 3 298.817 3.200 20 0 CGADHO Cc1cc([C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C2CC2)ccc1F ZINC000423364580 236051676 /nfs/dbraw/zinc/05/16/76/236051676.db2.gz AWAGSHSTSFKNRR-HLLBOEOZSA-N 1 3 276.399 3.445 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)CCN1 ZINC000423367800 236052074 /nfs/dbraw/zinc/05/20/74/236052074.db2.gz DROUPSUQMNRTGJ-SFDCBXKLSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423372181 236054524 /nfs/dbraw/zinc/05/45/24/236054524.db2.gz GWMDWLXCRSXRTR-ZDUSSCGKSA-N 1 3 284.378 3.150 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC23CCCC3)CCN1 ZINC000423375349 236055231 /nfs/dbraw/zinc/05/52/31/236055231.db2.gz IRKBGVRWOKNGAU-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1C ZINC000423379285 236056638 /nfs/dbraw/zinc/05/66/38/236056638.db2.gz MXSWCDNLWHJTTL-HRCADAONSA-N 1 3 260.425 3.403 20 0 CGADHO c1cc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)cc2c1CNC2 ZINC000423382050 236057756 /nfs/dbraw/zinc/05/77/56/236057756.db2.gz JSHVVUXDTVVVMC-ROUUACIJSA-N 1 3 270.420 3.348 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000423400467 236063970 /nfs/dbraw/zinc/06/39/70/236063970.db2.gz VMHMAUUXIZOOAF-MVWJERBFSA-N 1 3 270.779 3.400 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000423401209 236064194 /nfs/dbraw/zinc/06/41/94/236064194.db2.gz VWQANVRWPOSNCG-CYZMBNFOSA-N 1 3 264.438 3.157 20 0 CGADHO COc1cccc(C[C@H]([NH2+][C@@H](C)[C@H](C)N)c2ccccc2)c1 ZINC000423440928 236071714 /nfs/dbraw/zinc/07/17/14/236071714.db2.gz ISNLNBIALRFUGC-DOXZYTNZSA-N 1 3 298.430 3.304 20 0 CGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cncs1 ZINC000423505690 236089851 /nfs/dbraw/zinc/08/98/51/236089851.db2.gz OSRAYGJQSBBBKM-TZMCWYRMSA-N 1 3 275.421 3.274 20 0 CGADHO Cc1ccc([C@H](NCCC[NH2+]C2CC2)C2CC2)cc1 ZINC000423550358 236097553 /nfs/dbraw/zinc/09/75/53/236097553.db2.gz IGRWGIWTRUMWAL-KRWDZBQOSA-N 1 3 258.409 3.178 20 0 CGADHO Cc1ccc([C@H]([NH2+]CCCNC2CC2)C2CC2)cc1 ZINC000423550358 236097555 /nfs/dbraw/zinc/09/75/55/236097555.db2.gz IGRWGIWTRUMWAL-KRWDZBQOSA-N 1 3 258.409 3.178 20 0 CGADHO Cc1cc(F)c(CNC2CCC([NH+](C)C)CC2)c(F)c1 ZINC000424173742 236128080 /nfs/dbraw/zinc/12/80/80/236128080.db2.gz ONOMMQHSBPCYBD-UHFFFAOYSA-N 1 3 282.378 3.236 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000424362832 236156846 /nfs/dbraw/zinc/15/68/46/236156846.db2.gz BAWZLZVBFONNGR-SJLPKXTDSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000424353560 236155608 /nfs/dbraw/zinc/15/56/08/236155608.db2.gz PDWRAYGQPCHDQR-MXASKKJJSA-N 1 3 288.435 3.076 20 0 CGADHO COCC(C)(C)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000426416601 236293590 /nfs/dbraw/zinc/29/35/90/236293590.db2.gz KHGKPXSYSCTISH-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO Cc1cccc(CNCC2CC[NH+](C3CC3)CC2)c1F ZINC000296808890 200004433 /nfs/dbraw/zinc/00/44/33/200004433.db2.gz MXUHVZWOXPFLDX-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000177299097 189042810 /nfs/dbraw/zinc/04/28/10/189042810.db2.gz ZVTDWFUGOIXPFA-HOTGVXAUSA-N 1 3 290.451 3.466 20 0 CGADHO CCc1ccc2nccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000450829753 240104216 /nfs/dbraw/zinc/10/42/16/240104216.db2.gz QOYKVCHRIMFUIF-MQVJKMGUSA-N 1 3 295.430 3.256 20 0 CGADHO CCc1ccc2nccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000450829753 240104219 /nfs/dbraw/zinc/10/42/19/240104219.db2.gz QOYKVCHRIMFUIF-MQVJKMGUSA-N 1 3 295.430 3.256 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459415266 242100855 /nfs/dbraw/zinc/10/08/55/242100855.db2.gz BKZGFGFALXAGFS-JYVUQVBGSA-N 1 3 252.446 3.274 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CCC[C@@H]([NH+](C)C)C1 ZINC000462513533 242350575 /nfs/dbraw/zinc/35/05/75/242350575.db2.gz SJCQHPSJUGRGFQ-OAHLLOKOSA-N 1 3 283.419 3.382 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000160043474 299381869 /nfs/dbraw/zinc/38/18/69/299381869.db2.gz BLYXLRZGMXMISA-VHRBIJSZSA-N 1 3 297.240 3.227 20 0 CGADHO Fc1ccc(C2CC(N[C@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000335498508 212178034 /nfs/dbraw/zinc/17/80/34/212178034.db2.gz NYBFPNXYWLRGSD-MOKVOYLWSA-N 1 3 296.817 3.457 20 0 CGADHO Fc1ccc(C2CC([NH2+][C@H]3CCCNCC3)C2)cc1Cl ZINC000335498508 212178037 /nfs/dbraw/zinc/17/80/37/212178037.db2.gz NYBFPNXYWLRGSD-MOKVOYLWSA-N 1 3 296.817 3.457 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000477908545 243059738 /nfs/dbraw/zinc/05/97/38/243059738.db2.gz CGHYFSWHSWVAFU-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccccc1F ZINC000019915238 368783909 /nfs/dbraw/zinc/78/39/09/368783909.db2.gz BANPPCPRQWHMEI-CQSZACIVSA-N 1 3 266.404 3.426 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000037117843 369063053 /nfs/dbraw/zinc/06/30/53/369063053.db2.gz CROWBYOFJSNTPM-GDBMZVCRSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@H]1C ZINC000494905232 244329978 /nfs/dbraw/zinc/32/99/78/244329978.db2.gz BAYLZFWOMZYTEU-KEYYUXOJSA-N 1 3 264.457 3.275 20 0 CGADHO Cc1cc(C)cc(C[NH2+]CCCN2CCCCC2)c1 ZINC000049900040 369423122 /nfs/dbraw/zinc/42/31/22/369423122.db2.gz ABOQHZRZXNVZBP-UHFFFAOYSA-N 1 3 260.425 3.269 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccs1 ZINC000062077880 369617855 /nfs/dbraw/zinc/61/78/55/369617855.db2.gz SFPOMUDMVFMPDN-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000067452902 369718263 /nfs/dbraw/zinc/71/82/63/369718263.db2.gz OFPWCTROADHBLD-OKILXGFUSA-N 1 3 296.480 3.036 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000183192323 296148907 /nfs/dbraw/zinc/14/89/07/296148907.db2.gz FNSYEBUIJBWHRT-VNHYZAJKSA-N 1 3 250.430 3.028 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC000070091545 369779268 /nfs/dbraw/zinc/77/92/68/369779268.db2.gz KDDOJSWUNNMYKW-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2sccc2C)C1 ZINC000070091545 369779276 /nfs/dbraw/zinc/77/92/76/369779276.db2.gz KDDOJSWUNNMYKW-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2sccc2C)C1 ZINC000070091545 369779282 /nfs/dbraw/zinc/77/92/82/369779282.db2.gz KDDOJSWUNNMYKW-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CN(C)CCOCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000219318155 376198945 /nfs/dbraw/zinc/19/89/45/376198945.db2.gz IZXWRCKWELSDMB-KRWDZBQOSA-N 1 3 292.467 3.332 20 0 CGADHO C[C@@H]([NH2+]CCOCCN(C)C)c1cc2ccccc2s1 ZINC000219316262 376199093 /nfs/dbraw/zinc/19/90/93/376199093.db2.gz MEMHBSIOGQUEBR-CYBMUJFWSA-N 1 3 292.448 3.130 20 0 CGADHO c1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446092 369938394 /nfs/dbraw/zinc/93/83/94/369938394.db2.gz VSWUZBFAOLGANN-IBGZPJMESA-N 1 3 280.415 3.298 20 0 CGADHO c1ccc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446092 369938400 /nfs/dbraw/zinc/93/84/00/369938400.db2.gz VSWUZBFAOLGANN-IBGZPJMESA-N 1 3 280.415 3.298 20 0 CGADHO C[C@H]1CCC[C@@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000130158897 371014970 /nfs/dbraw/zinc/01/49/70/371014970.db2.gz WSISFNRAPCUERZ-GOEBONIOSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cc(C)cc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130559967 371042624 /nfs/dbraw/zinc/04/26/24/371042624.db2.gz KJSXBCAFCRXKFJ-BFYDXBDKSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cc(C)cc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130559967 371042626 /nfs/dbraw/zinc/04/26/26/371042626.db2.gz KJSXBCAFCRXKFJ-BFYDXBDKSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000423369928 296164294 /nfs/dbraw/zinc/16/42/94/296164294.db2.gz CSKIJTFZCIWYGY-AYZDXNEBSA-N 1 3 292.389 3.474 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)CN(C)C)s1 ZINC000132106524 371152298 /nfs/dbraw/zinc/15/22/98/371152298.db2.gz ZJVYMBGXBPSCRK-NSHDSACASA-N 1 3 283.485 3.252 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCCC(F)(F)F)c2ccccc21 ZINC000132212103 371159727 /nfs/dbraw/zinc/15/97/27/371159727.db2.gz OVFPDNKQESNJMF-NWDGAFQWSA-N 1 3 258.287 3.063 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133639529 371269232 /nfs/dbraw/zinc/26/92/32/371269232.db2.gz OKDNIKYVSFDDCV-TYNCELHUSA-N 1 3 298.377 3.106 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000134119400 371304778 /nfs/dbraw/zinc/30/47/78/371304778.db2.gz FXAPABGIHSGZCX-ZACQAIPSSA-N 1 3 264.457 3.300 20 0 CGADHO c1cc2cccc(C[NH2+]CCCN3CCCCC3)c2[nH]1 ZINC000134522393 371346006 /nfs/dbraw/zinc/34/60/06/371346006.db2.gz CXLGHXNIKANGAF-UHFFFAOYSA-N 1 3 271.408 3.134 20 0 CGADHO c1ccc2c(c1)OCC[C@@H]2C[NH2+]CCCN1CCCCC1 ZINC000135425111 371424764 /nfs/dbraw/zinc/42/47/64/371424764.db2.gz TUVXOMXVHLYDJY-MRXNPFEDSA-N 1 3 288.435 3.018 20 0 CGADHO c1ccc2c(c1)OCC[C@@H]2CNCCC[NH+]1CCCCC1 ZINC000135425111 371424769 /nfs/dbraw/zinc/42/47/69/371424769.db2.gz TUVXOMXVHLYDJY-MRXNPFEDSA-N 1 3 288.435 3.018 20 0 CGADHO CC(C)OC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000337345484 214020925 /nfs/dbraw/zinc/02/09/25/214020925.db2.gz VDUHSOYUYLYXQX-OAHLLOKOSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699386 371756318 /nfs/dbraw/zinc/75/63/18/371756318.db2.gz DFNPGSXBMIBHGK-RYUDHWBXSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699386 371756322 /nfs/dbraw/zinc/75/63/22/371756322.db2.gz DFNPGSXBMIBHGK-RYUDHWBXSA-N 1 3 266.816 3.087 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422700930 371757745 /nfs/dbraw/zinc/75/77/45/371757745.db2.gz HOLFIEZCPYDLMX-KGLIPLIRSA-N 1 3 298.352 3.206 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000422709002 371761726 /nfs/dbraw/zinc/76/17/26/371761726.db2.gz CROXYTGPUOISPL-HWWQOWPSSA-N 1 3 264.388 3.382 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000422706185 371762041 /nfs/dbraw/zinc/76/20/41/371762041.db2.gz SXRJIEFIENPNNU-BZPMIXESSA-N 1 3 275.440 3.324 20 0 CGADHO CCC(CC)[C@H](N[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422717082 371765803 /nfs/dbraw/zinc/76/58/03/371765803.db2.gz OEFANDGVZQYCEI-DYVFJYSZSA-N 1 3 260.425 3.361 20 0 CGADHO CCC(CC)[C@H]([NH2+][C@H](C)C1CNC1)c1ccccc1 ZINC000422717082 371765809 /nfs/dbraw/zinc/76/58/09/371765809.db2.gz OEFANDGVZQYCEI-DYVFJYSZSA-N 1 3 260.425 3.361 20 0 CGADHO Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCCC[C@@H]3CN)c21 ZINC000422722471 371767384 /nfs/dbraw/zinc/76/73/84/371767384.db2.gz XYYNBDYEZWBDLU-GDBMZVCRSA-N 1 3 285.435 3.126 20 0 CGADHO Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCCC[C@H]3CN)c21 ZINC000422722472 371767403 /nfs/dbraw/zinc/76/74/03/371767403.db2.gz XYYNBDYEZWBDLU-GOEBONIOSA-N 1 3 285.435 3.126 20 0 CGADHO Cc1cccc(OC[C@H](C)[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422744913 371780445 /nfs/dbraw/zinc/78/04/45/371780445.db2.gz WTSQQVLIKXAWOD-GDIGMMSISA-N 1 3 296.414 3.497 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748855 371782974 /nfs/dbraw/zinc/78/29/74/371782974.db2.gz WNOKJDWNIUBNTK-ZIAGYGMSSA-N 1 3 252.789 3.090 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1csc2ccccc12 ZINC000422751827 371784984 /nfs/dbraw/zinc/78/49/84/371784984.db2.gz CZNGWGGMMWZXLD-WFASDCNBSA-N 1 3 274.433 3.379 20 0 CGADHO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)C[C@H](C)N ZINC000422758331 371788799 /nfs/dbraw/zinc/78/87/99/371788799.db2.gz JIMVKPCHNWECOG-QJPTWQEYSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](Cc1cccc(Br)c1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422758331 371788801 /nfs/dbraw/zinc/78/88/01/371788801.db2.gz JIMVKPCHNWECOG-QJPTWQEYSA-N 1 3 299.256 3.096 20 0 CGADHO Cc1ccc(OCC[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422761749 371789386 /nfs/dbraw/zinc/78/93/86/371789386.db2.gz RNOXDNKTMRIGMJ-ROUUACIJSA-N 1 3 282.387 3.108 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422759764 371789901 /nfs/dbraw/zinc/78/99/01/371789901.db2.gz LIFBOSXULRQQNA-RDJZCZTQSA-N 1 3 285.435 3.009 20 0 CGADHO Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422822605 371829548 /nfs/dbraw/zinc/82/95/48/371829548.db2.gz KFQXYNYNCUUUSX-UONOGXRCSA-N 1 3 297.240 3.035 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422817406 371829619 /nfs/dbraw/zinc/82/96/19/371829619.db2.gz HOGNFPNNNXSQAN-YFKTTZPYSA-N 1 3 266.351 3.071 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@@H](C)C[C@@H](C)N)cc1 ZINC000422772157 371796613 /nfs/dbraw/zinc/79/66/13/371796613.db2.gz YXTPRHZAPBIPLH-CABCVRRESA-N 1 3 262.441 3.458 20 0 CGADHO CC(C)c1ccc(CCCN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422772157 371796621 /nfs/dbraw/zinc/79/66/21/371796621.db2.gz YXTPRHZAPBIPLH-CABCVRRESA-N 1 3 262.441 3.458 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Sc1ccccc1 ZINC000422780805 371804175 /nfs/dbraw/zinc/80/41/75/371804175.db2.gz DPYLCXXSHNHKFM-IIAWOOMASA-N 1 3 278.465 3.274 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Sc1ccccc1 ZINC000422780805 371804180 /nfs/dbraw/zinc/80/41/80/371804180.db2.gz DPYLCXXSHNHKFM-IIAWOOMASA-N 1 3 278.465 3.274 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Cc1cccs1 ZINC000422785309 371806005 /nfs/dbraw/zinc/80/60/05/371806005.db2.gz QTTYHCXNZNBOLU-YDHLFZDLSA-N 1 3 266.454 3.034 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422787290 371809169 /nfs/dbraw/zinc/80/91/69/371809169.db2.gz UNFTXRDWMDQSOE-GUYCJALGSA-N 1 3 260.425 3.090 20 0 CGADHO CCN(CCC[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422790333 371811243 /nfs/dbraw/zinc/81/12/43/371811243.db2.gz TUNXVABYOCQICE-SJLPKXTDSA-N 1 3 289.467 3.010 20 0 CGADHO C(CCC1CCCC1)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422795591 371813155 /nfs/dbraw/zinc/81/31/55/371813155.db2.gz HTUVAWMIHANWDW-XYPWUTKMSA-N 1 3 250.430 3.220 20 0 CGADHO CCC(CC)(C[NH2+][C@H](C)C[C@@H](C)N)c1ccccc1 ZINC000422796080 371815725 /nfs/dbraw/zinc/81/57/25/371815725.db2.gz IMTXYQPKGRXRFO-HUUCEWRRSA-N 1 3 262.441 3.460 20 0 CGADHO CCC(CC)(CN[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422796080 371815733 /nfs/dbraw/zinc/81/57/33/371815733.db2.gz IMTXYQPKGRXRFO-HUUCEWRRSA-N 1 3 262.441 3.460 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000422804308 371821220 /nfs/dbraw/zinc/82/12/20/371821220.db2.gz HHVARRHTYNPMRE-QBBMROGASA-N 1 3 260.425 3.428 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000422813936 371827545 /nfs/dbraw/zinc/82/75/45/371827545.db2.gz ZELRGKXQVVEYMU-NWDGAFQWSA-N 1 3 289.448 3.192 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000422814333 371827781 /nfs/dbraw/zinc/82/77/81/371827781.db2.gz UJQQKBGUWALYMJ-HNAYVOBHSA-N 1 3 298.430 3.196 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422817405 371828879 /nfs/dbraw/zinc/82/88/79/371828879.db2.gz HOGNFPNNNXSQAN-NNYUYHANSA-N 1 3 266.351 3.071 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000422869481 371847298 /nfs/dbraw/zinc/84/72/98/371847298.db2.gz AGYQGQLKBYRNSM-BBRMVZONSA-N 1 3 275.440 3.468 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000422884716 371853392 /nfs/dbraw/zinc/85/33/92/371853392.db2.gz FLCFPWVYAJHZMS-MORSLUCNSA-N 1 3 294.398 3.287 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCC1 ZINC000422889399 371856064 /nfs/dbraw/zinc/85/60/64/371856064.db2.gz PJOAKDXLOQHYRL-BRWVUGGUSA-N 1 3 294.483 3.094 20 0 CGADHO CO[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422919308 371869820 /nfs/dbraw/zinc/86/98/20/371869820.db2.gz JNCUFXPFRYIXHQ-NUEKZKHPSA-N 1 3 296.842 3.135 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(Cl)c1 ZINC000422922904 371871262 /nfs/dbraw/zinc/87/12/62/371871262.db2.gz RDWPLXGCOYZTBU-WOSRLPQWSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H](Cc1ccccc1Br)N[C@H](C)C[C@H](C)[NH3+] ZINC000422928240 371875183 /nfs/dbraw/zinc/87/51/83/371875183.db2.gz JQOMVHOICLTLRT-QJPTWQEYSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)C[C@H](C)N ZINC000422928240 371875186 /nfs/dbraw/zinc/87/51/86/371875186.db2.gz JQOMVHOICLTLRT-QJPTWQEYSA-N 1 3 299.256 3.096 20 0 CGADHO CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422927872 371875576 /nfs/dbraw/zinc/87/55/76/371875576.db2.gz HNIXFQLDJMMDFZ-OUCADQQQSA-N 1 3 284.831 3.213 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422930541 371876083 /nfs/dbraw/zinc/87/60/83/371876083.db2.gz UXTWPGCEZJOSEU-CABCVRRESA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422940575 371881842 /nfs/dbraw/zinc/88/18/42/371881842.db2.gz HBUDDLWHTVDKEE-BBRMVZONSA-N 1 3 280.843 3.250 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1cccc2ccccc21 ZINC000422944446 371883561 /nfs/dbraw/zinc/88/35/61/371883561.db2.gz MGQWSEVPEONKBU-WMZOPIPTSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422944446 371883562 /nfs/dbraw/zinc/88/35/62/371883562.db2.gz MGQWSEVPEONKBU-WMZOPIPTSA-N 1 3 298.430 3.326 20 0 CGADHO Cc1cccc([C@@H](N[C@@H](C)C2C[NH2+]C2)C(C)(C)C)c1 ZINC000422841284 371836574 /nfs/dbraw/zinc/83/65/74/371836574.db2.gz VMKYIPZNZJSQKU-XJKSGUPXSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1cccc([C@@H]([NH2+][C@@H](C)C2CNC2)C(C)(C)C)c1 ZINC000422841284 371836584 /nfs/dbraw/zinc/83/65/84/371836584.db2.gz VMKYIPZNZJSQKU-XJKSGUPXSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423053022 371936117 /nfs/dbraw/zinc/93/61/17/371936117.db2.gz RUGKMPWIUJPTBA-CJNGLKHVSA-N 1 3 272.392 3.001 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423056321 371937520 /nfs/dbraw/zinc/93/75/20/371937520.db2.gz XZFFUPQAVKMVJK-CHWSQXEVSA-N 1 3 296.405 3.345 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422990249 371905598 /nfs/dbraw/zinc/90/55/98/371905598.db2.gz MZESDSCLYMXFAT-ZQDZILKHSA-N 1 3 286.410 3.465 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000422990249 371905608 /nfs/dbraw/zinc/90/56/08/371905608.db2.gz MZESDSCLYMXFAT-ZQDZILKHSA-N 1 3 286.410 3.465 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422990248 371906514 /nfs/dbraw/zinc/90/65/14/371906514.db2.gz MZESDSCLYMXFAT-LJISPDSOSA-N 1 3 286.410 3.465 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000422990248 371906521 /nfs/dbraw/zinc/90/65/21/371906521.db2.gz MZESDSCLYMXFAT-LJISPDSOSA-N 1 3 286.410 3.465 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422993341 371906737 /nfs/dbraw/zinc/90/67/37/371906737.db2.gz FNGVFZIMSYPNGR-IRXDYDNUSA-N 1 3 272.436 3.116 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423015896 371916984 /nfs/dbraw/zinc/91/69/84/371916984.db2.gz LSDCKJPNZMTSAG-BZUAXINKSA-N 1 3 292.492 3.499 20 0 CGADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423015896 371916988 /nfs/dbraw/zinc/91/69/88/371916988.db2.gz LSDCKJPNZMTSAG-BZUAXINKSA-N 1 3 292.492 3.499 20 0 CGADHO Cc1cc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CC2)ccc1F ZINC000423017164 371917077 /nfs/dbraw/zinc/91/70/77/371917077.db2.gz VQGOWAJGEJCVCT-RDJZCZTQSA-N 1 3 276.399 3.317 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000423020863 371918305 /nfs/dbraw/zinc/91/83/05/371918305.db2.gz CZTPJVRKPBRPBJ-RRQGHBQHSA-N 1 3 276.399 3.310 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)C1CCCCC1 ZINC000423020895 371919001 /nfs/dbraw/zinc/91/90/01/371919001.db2.gz DCBFSRLHKOJBPN-UKRRQHHQSA-N 1 3 252.446 3.310 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423025684 371922375 /nfs/dbraw/zinc/92/23/75/371922375.db2.gz OZOSFMWFCJMTNU-XJKSGUPXSA-N 1 3 292.854 3.479 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC000423067509 371945266 /nfs/dbraw/zinc/94/52/66/371945266.db2.gz HJJFDVQGLCWBFD-RDTXWAMCSA-N 1 3 290.451 3.262 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCCc2ccccc2F)c2ccccc21 ZINC000423093579 371957870 /nfs/dbraw/zinc/95/78/70/371957870.db2.gz IBQXZXJZJOESTH-ZWKOTPCHSA-N 1 3 284.378 3.493 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1C(C)(C)C1(C)C ZINC000423100276 371962826 /nfs/dbraw/zinc/96/28/26/371962826.db2.gz UZUOEGKBYIRJLT-LLVKDONJSA-N 1 3 275.440 3.182 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099240 371963869 /nfs/dbraw/zinc/96/38/69/371963869.db2.gz FFXWMODSOIHDST-MNOVXSKESA-N 1 3 274.861 3.440 20 0 CGADHO CSCc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423108334 371970952 /nfs/dbraw/zinc/97/09/52/371970952.db2.gz LXEBGUQFGXQMRV-XJKSGUPXSA-N 1 3 278.465 3.027 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cs1 ZINC000156978122 372001942 /nfs/dbraw/zinc/00/19/42/372001942.db2.gz NPEBBMRTQVGIOV-UMVBOHGHSA-N 1 3 295.496 3.127 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cs1 ZINC000156978122 372001952 /nfs/dbraw/zinc/00/19/52/372001952.db2.gz NPEBBMRTQVGIOV-UMVBOHGHSA-N 1 3 295.496 3.127 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423125316 371979412 /nfs/dbraw/zinc/97/94/12/371979412.db2.gz QIYCPLNAPXMRNZ-BRSBDYLESA-N 1 3 288.435 3.014 20 0 CGADHO Cc1cc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)ccc1Cl ZINC000423131634 371982843 /nfs/dbraw/zinc/98/28/43/371982843.db2.gz BEHSZDYRCMICJU-GDBMZVCRSA-N 1 3 280.843 3.298 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000423167818 371999712 /nfs/dbraw/zinc/99/97/12/371999712.db2.gz XHEVFDDWKMXOHR-OLZOCXBDSA-N 1 3 296.405 3.345 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CNC1 ZINC000423168954 372000215 /nfs/dbraw/zinc/00/02/15/372000215.db2.gz VNDJHNSERQMFHM-NORZTCDRSA-N 1 3 278.827 3.174 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000423070005 371945492 /nfs/dbraw/zinc/94/54/92/371945492.db2.gz BZEXOBDEXDBEDH-XJKSGUPXSA-N 1 3 273.424 3.222 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000423079235 371951694 /nfs/dbraw/zinc/95/16/94/371951694.db2.gz QGMLKLPVBULGLW-XSLAGTTESA-N 1 3 272.436 3.430 20 0 CGADHO CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000423080490 371952058 /nfs/dbraw/zinc/95/20/58/371952058.db2.gz AHEHWLYLTRNPPC-RRFJBIMHSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1cc(F)c(Cl)cc1F ZINC000423084239 371954541 /nfs/dbraw/zinc/95/45/41/371954541.db2.gz HFRLUCQUKXABBN-SECBINFHSA-N 1 3 276.758 3.225 20 0 CGADHO C[NH2+]CCCN[C@@H](CSc1ccccc1)C(C)C ZINC000423209062 372032310 /nfs/dbraw/zinc/03/23/10/372032310.db2.gz ZNXKQHWSJOTYGH-HNNXBMFYSA-N 1 3 266.454 3.002 20 0 CGADHO CNCCC[NH2+][C@@H](CSc1ccccc1)C(C)C ZINC000423209062 372032317 /nfs/dbraw/zinc/03/23/17/372032317.db2.gz ZNXKQHWSJOTYGH-HNNXBMFYSA-N 1 3 266.454 3.002 20 0 CGADHO Cc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423220989 372039680 /nfs/dbraw/zinc/03/96/80/372039680.db2.gz YZOFMQKMJIKBAS-QAPCUYQASA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCNC2)C2CCC2)cc1 ZINC000423220989 372039690 /nfs/dbraw/zinc/03/96/90/372039690.db2.gz YZOFMQKMJIKBAS-QAPCUYQASA-N 1 3 272.436 3.425 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCCc2cc(Br)ccc21 ZINC000423223028 372040076 /nfs/dbraw/zinc/04/00/76/372040076.db2.gz DPDBDPHJRWVFNL-HZMBPMFUSA-N 1 3 297.240 3.153 20 0 CGADHO CCC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423220308 372040471 /nfs/dbraw/zinc/04/04/71/372040471.db2.gz XZSJTPDVKFSEKR-PBHICJAKSA-N 1 3 276.424 3.126 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423227468 372042372 /nfs/dbraw/zinc/04/23/72/372042372.db2.gz VXYPSJBDGOZPKL-JGGQBBKZSA-N 1 3 280.843 3.378 20 0 CGADHO Cc1ccc([C@H](NCC2C[NH2+]C2)C2CCCC2)cc1 ZINC000423307096 372049656 /nfs/dbraw/zinc/04/96/56/372049656.db2.gz VICHHBLYHWZACY-QGZVFWFLSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccc([C@H]([NH2+]CC2CNC2)C2CCCC2)cc1 ZINC000423307096 372049661 /nfs/dbraw/zinc/04/96/61/372049661.db2.gz VICHHBLYHWZACY-QGZVFWFLSA-N 1 3 258.409 3.035 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2N[C@@H]2CCC[NH2+]C2)cc1 ZINC000423354168 372053375 /nfs/dbraw/zinc/05/33/75/372053375.db2.gz FNNIAGFMGJRZDI-ZACQAIPSSA-N 1 3 258.409 3.054 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423422593 372062251 /nfs/dbraw/zinc/06/22/51/372062251.db2.gz BLYYBEKTQZZBKX-ARFHVFGLSA-N 1 3 288.435 3.271 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423440359 372063875 /nfs/dbraw/zinc/06/38/75/372063875.db2.gz IPTVUVNOVSIKHC-MPGHIAIKSA-N 1 3 268.404 3.296 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000424374016 372085801 /nfs/dbraw/zinc/08/58/01/372085801.db2.gz KOULSRBNSPFJFQ-MJQMVNBJSA-N 1 3 298.430 3.021 20 0 CGADHO CC[NH+]1CCC(N[C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000159331177 372132983 /nfs/dbraw/zinc/13/29/83/372132983.db2.gz CTJFLQVRJRDXNY-YVEFUNNKSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000293753174 372469663 /nfs/dbraw/zinc/46/96/63/372469663.db2.gz YISUHFGTQXNKNE-OAHLLOKOSA-N 1 3 298.430 3.175 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000164682165 372527979 /nfs/dbraw/zinc/52/79/79/372527979.db2.gz KDIZDFQHUPERKI-LRDDRELGSA-N 1 3 272.392 3.171 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000164682165 372527982 /nfs/dbraw/zinc/52/79/82/372527982.db2.gz KDIZDFQHUPERKI-LRDDRELGSA-N 1 3 272.392 3.171 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432817796 372573715 /nfs/dbraw/zinc/57/37/15/372573715.db2.gz UCKSAJJDGYZPON-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432817796 372573719 /nfs/dbraw/zinc/57/37/19/372573719.db2.gz UCKSAJJDGYZPON-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@]2(C)CCCO2)CC1 ZINC000167089232 372588784 /nfs/dbraw/zinc/58/87/84/372588784.db2.gz VTGUGHUPKKKHEB-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000167089232 372588789 /nfs/dbraw/zinc/58/87/89/372588789.db2.gz VTGUGHUPKKKHEB-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[C@H](C)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387747 372755529 /nfs/dbraw/zinc/75/55/29/372755529.db2.gz BJOBAWHMNDYBAE-FUHWJXTLSA-N 1 3 289.467 3.462 20 0 CGADHO C[NH2+]CCCN(CCc1ccccc1F)C1CCCC1 ZINC000435872645 372821219 /nfs/dbraw/zinc/82/12/19/372821219.db2.gz PMOTZMGRGPWLFX-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO CNCCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000435872645 372821225 /nfs/dbraw/zinc/82/12/25/372821225.db2.gz PMOTZMGRGPWLFX-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO CNCCC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000435872645 372821233 /nfs/dbraw/zinc/82/12/33/372821233.db2.gz PMOTZMGRGPWLFX-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCF)cc1 ZINC000353433290 220081407 /nfs/dbraw/zinc/08/14/07/220081407.db2.gz FKTBWDWPUMWYGL-IAGOWNOFSA-N 1 3 278.415 3.366 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)O[C@H]1C ZINC000295507203 372807829 /nfs/dbraw/zinc/80/78/29/372807829.db2.gz UPHIOHCWTBHDQK-VKJFTORMSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)O[C@H]1C ZINC000295507203 372807834 /nfs/dbraw/zinc/80/78/34/372807834.db2.gz UPHIOHCWTBHDQK-VKJFTORMSA-N 1 3 290.451 3.182 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1CCCSc1ccccc1Cl ZINC000442777560 373078438 /nfs/dbraw/zinc/07/84/38/373078438.db2.gz DHRWKDOWRWGWOO-QWHCGFSZSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCSc1ccccc1Cl ZINC000442777560 373078444 /nfs/dbraw/zinc/07/84/44/373078444.db2.gz DHRWKDOWRWGWOO-QWHCGFSZSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCSc1ccccc1Cl ZINC000442777560 373078451 /nfs/dbraw/zinc/07/84/51/373078451.db2.gz DHRWKDOWRWGWOO-QWHCGFSZSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCOc1ccc2ccccc2c1 ZINC000442797281 373086789 /nfs/dbraw/zinc/08/67/89/373086789.db2.gz WNUWEDBNSLBGJW-HZPDHXFCSA-N 1 3 298.430 3.278 20 0 CGADHO CCCCOc1ccccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000442925332 373128669 /nfs/dbraw/zinc/12/86/69/373128669.db2.gz UZKTYJKSBSLJQT-MRXNPFEDSA-N 1 3 290.451 3.426 20 0 CGADHO Cc1cc(C)nc(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297305889 373266480 /nfs/dbraw/zinc/26/64/80/373266480.db2.gz BKPUJSGFVWPIDF-UHFFFAOYSA-N 1 3 282.391 3.174 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000447819439 373498600 /nfs/dbraw/zinc/49/86/00/373498600.db2.gz AEFFNZDXDHTRBV-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449133558 373663840 /nfs/dbraw/zinc/66/38/40/373663840.db2.gz YXKGXIRFXKKCBX-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cc(N2CCC([NH+](C)C)CC2)c2ccccc2n1 ZINC000301216187 373694066 /nfs/dbraw/zinc/69/40/66/373694066.db2.gz YFLFTINEAHROFX-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO CC[C@H]1CN(c2cc[nH+]c(C)c2)CCN1Cc1ccccc1 ZINC000302395659 373861261 /nfs/dbraw/zinc/86/12/61/373861261.db2.gz GIZKNPYNRXHTGC-SFHVURJKSA-N 1 3 295.430 3.491 20 0 CGADHO CC(C)N1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000180402198 373998911 /nfs/dbraw/zinc/99/89/11/373998911.db2.gz DSYWTDKNNVRFHV-HNNXBMFYSA-N 1 3 289.467 3.276 20 0 CGADHO C[C@@H](NCC(C)(C)C1=CCCC1)[C@H]1CCCC[NH2+]1 ZINC000308771707 374179245 /nfs/dbraw/zinc/17/92/45/374179245.db2.gz VWKIZPYVAHWVMO-UKRRQHHQSA-N 1 3 250.430 3.243 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)CN(C)C ZINC000311834569 374257284 /nfs/dbraw/zinc/25/72/84/374257284.db2.gz POQSJWLHTOKTOR-WMLDXEAASA-N 1 3 260.425 3.241 20 0 CGADHO C[C@@H](CN[C@@H]1CCCCc2ccccc21)C[NH+](C)C ZINC000311834569 374257289 /nfs/dbraw/zinc/25/72/89/374257289.db2.gz POQSJWLHTOKTOR-WMLDXEAASA-N 1 3 260.425 3.241 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cnc2ccsc2c1 ZINC000311561985 374246921 /nfs/dbraw/zinc/24/69/21/374246921.db2.gz SEMIOTGOVAZURN-NWDGAFQWSA-N 1 3 277.437 3.145 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000312980952 374296852 /nfs/dbraw/zinc/29/68/52/374296852.db2.gz AZMCYYQVCSPYQR-INIZCTEOSA-N 1 3 262.441 3.341 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000314510119 374320179 /nfs/dbraw/zinc/32/01/79/374320179.db2.gz FHHXPSRRRTZKPI-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000079342829 541920799 /nfs/dbraw/zinc/92/07/99/541920799.db2.gz ODTPGDWUQNWNBB-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000079342829 541920806 /nfs/dbraw/zinc/92/08/06/541920806.db2.gz ODTPGDWUQNWNBB-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182914147 374340499 /nfs/dbraw/zinc/34/04/99/374340499.db2.gz CCNNQDYVTQGGIR-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182914147 374340506 /nfs/dbraw/zinc/34/05/06/374340506.db2.gz CCNNQDYVTQGGIR-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328126522 374360775 /nfs/dbraw/zinc/36/07/75/374360775.db2.gz UHZXSNVAKWONAL-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO COCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185681250 374714249 /nfs/dbraw/zinc/71/42/49/374714249.db2.gz JEMUYHOFNJYLNJ-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO FC1(F)CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000334565943 374867264 /nfs/dbraw/zinc/86/72/64/374867264.db2.gz WOBBXGWNXNCHOO-AWEZNQCLSA-N 1 3 295.377 3.218 20 0 CGADHO Cc1ccc(CN2CCC(CCC[NH+](C)C)CC2)c(C)n1 ZINC000187384982 375012479 /nfs/dbraw/zinc/01/24/79/375012479.db2.gz CNSGLZRNHSTEKD-UHFFFAOYSA-N 1 3 289.467 3.252 20 0 CGADHO Clc1cccc([C@H]2CC[C@@H]([NH2+]C3CCNCC3)C2)c1 ZINC000335021275 375075628 /nfs/dbraw/zinc/07/56/28/375075628.db2.gz GMNLHRWGNQZTHN-XJKSGUPXSA-N 1 3 278.827 3.318 20 0 CGADHO Cc1nccnc1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000188006994 375139059 /nfs/dbraw/zinc/13/90/59/375139059.db2.gz MRTFNQNOWCDDCT-OAHLLOKOSA-N 1 3 290.455 3.092 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488428478 375308005 /nfs/dbraw/zinc/30/80/05/375308005.db2.gz HQLKJVMCOBGCDG-HZPDHXFCSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000491591077 375335376 /nfs/dbraw/zinc/33/53/76/375335376.db2.gz HIDPUWWNSNOJOW-OAHLLOKOSA-N 1 3 278.440 3.009 20 0 CGADHO CC(C)C(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C(C)C ZINC000191701353 375654363 /nfs/dbraw/zinc/65/43/63/375654363.db2.gz JKQXFZMETTXIMF-HUUCEWRRSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1sccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000507208580 375687404 /nfs/dbraw/zinc/68/74/04/375687404.db2.gz GQCHWEZLCLRQCY-UHFFFAOYSA-N 1 3 278.465 3.364 20 0 CGADHO FC(F)(F)[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123992441 542030582 /nfs/dbraw/zinc/03/05/82/542030582.db2.gz FLTDIMPBWBBFLV-AWEZNQCLSA-N 1 3 298.352 3.107 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423046111 299998486 /nfs/dbraw/zinc/99/84/86/299998486.db2.gz DFQZKSCKVLXINH-GOEBONIOSA-N 1 3 264.457 3.491 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128530471 542052527 /nfs/dbraw/zinc/05/25/27/542052527.db2.gz UCDUTTTVBZEOBC-GFCCVEGCSA-N 1 3 252.446 3.464 20 0 CGADHO Cc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1Br ZINC000336699340 375910351 /nfs/dbraw/zinc/91/03/51/375910351.db2.gz JKEDXJVELSHQAP-NSHDSACASA-N 1 3 299.256 3.045 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811456 375963010 /nfs/dbraw/zinc/96/30/10/375963010.db2.gz NBIRLOUHJTUPEV-WVZRYYJFSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811456 375963014 /nfs/dbraw/zinc/96/30/14/375963014.db2.gz NBIRLOUHJTUPEV-WVZRYYJFSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951223 376136393 /nfs/dbraw/zinc/13/63/93/376136393.db2.gz CNBGJBHMGCRXJP-KDOFPFPSSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951223 376136397 /nfs/dbraw/zinc/13/63/97/376136397.db2.gz CNBGJBHMGCRXJP-KDOFPFPSSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1cccc2ccccc21 ZINC000536879591 376142228 /nfs/dbraw/zinc/14/22/28/376142228.db2.gz XGBSTUNFEDFERW-MAUKXSAKSA-N 1 3 298.430 3.148 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1cccc2ccccc21 ZINC000536879591 376142235 /nfs/dbraw/zinc/14/22/35/376142235.db2.gz XGBSTUNFEDFERW-MAUKXSAKSA-N 1 3 298.430 3.148 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc3ccccc23)[C@@H](C)C1 ZINC000537615477 376180186 /nfs/dbraw/zinc/18/01/86/376180186.db2.gz VOUDYIBEAUZBPL-HNAYVOBHSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccnc3ccccc23)[C@@H](C)C1 ZINC000537615477 376180193 /nfs/dbraw/zinc/18/01/93/376180193.db2.gz VOUDYIBEAUZBPL-HNAYVOBHSA-N 1 3 297.446 3.397 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000537966095 376214400 /nfs/dbraw/zinc/21/44/00/376214400.db2.gz UJXILNGSNNSPFD-WWGRRREGSA-N 1 3 292.492 3.445 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000537966095 376214406 /nfs/dbraw/zinc/21/44/06/376214406.db2.gz UJXILNGSNNSPFD-WWGRRREGSA-N 1 3 292.492 3.445 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222020804 376227954 /nfs/dbraw/zinc/22/79/54/376227954.db2.gz LMXTVDBJPMOCJS-SZMVWBNQSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222020804 376227958 /nfs/dbraw/zinc/22/79/58/376227958.db2.gz LMXTVDBJPMOCJS-SZMVWBNQSA-N 1 3 272.436 3.142 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924711 376242932 /nfs/dbraw/zinc/24/29/32/376242932.db2.gz YLODYVFVUFLISR-RCBQFDQVSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924711 376242937 /nfs/dbraw/zinc/24/29/37/376242937.db2.gz YLODYVFVUFLISR-RCBQFDQVSA-N 1 3 264.388 3.349 20 0 CGADHO CN(Cc1cccc2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC000226435428 376359685 /nfs/dbraw/zinc/35/96/85/376359685.db2.gz XZDRBVCOSQTLJF-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@@H+](Cc1cccc2ccccc21)C[C@H]1CCCNC1 ZINC000226435428 376359688 /nfs/dbraw/zinc/35/96/88/376359688.db2.gz XZDRBVCOSQTLJF-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@H+](Cc1cccc2ccccc21)C[C@H]1CCCNC1 ZINC000226435428 376359690 /nfs/dbraw/zinc/35/96/90/376359690.db2.gz XZDRBVCOSQTLJF-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCCNC1 ZINC000226439013 376360111 /nfs/dbraw/zinc/36/01/11/376360111.db2.gz VEJLUVVVZAJKPJ-MSOLQXFVSA-N 1 3 274.452 3.329 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCCNC1 ZINC000226439013 376360116 /nfs/dbraw/zinc/36/01/16/376360116.db2.gz VEJLUVVVZAJKPJ-MSOLQXFVSA-N 1 3 274.452 3.329 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918298 376375513 /nfs/dbraw/zinc/37/55/13/376375513.db2.gz IXLCQNZLBUFULZ-CRAIPNDOSA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918298 376375523 /nfs/dbraw/zinc/37/55/23/376375523.db2.gz IXLCQNZLBUFULZ-CRAIPNDOSA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918298 376375526 /nfs/dbraw/zinc/37/55/26/376375526.db2.gz IXLCQNZLBUFULZ-CRAIPNDOSA-N 1 3 272.436 3.378 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000227496421 376394892 /nfs/dbraw/zinc/39/48/92/376394892.db2.gz WDTJDMKBBMEVQA-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO CCC[N@H+](CCc1cccs1)C[C@H]1CCCNC1 ZINC000233053569 376595346 /nfs/dbraw/zinc/59/53/46/376595346.db2.gz YNJHSUCSMSURFU-AWEZNQCLSA-N 1 3 266.454 3.002 20 0 CGADHO CCC[N@@H+](CCc1cccs1)C[C@H]1CCCNC1 ZINC000233053569 376595353 /nfs/dbraw/zinc/59/53/53/376595353.db2.gz YNJHSUCSMSURFU-AWEZNQCLSA-N 1 3 266.454 3.002 20 0 CGADHO CCCN(CCc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000233053569 376595361 /nfs/dbraw/zinc/59/53/61/376595361.db2.gz YNJHSUCSMSURFU-AWEZNQCLSA-N 1 3 266.454 3.002 20 0 CGADHO CN(C)CCOCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000231786826 376573566 /nfs/dbraw/zinc/57/35/66/376573566.db2.gz IQIQHKRDEYPGKR-MRXNPFEDSA-N 1 3 296.480 3.147 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000544023128 376695179 /nfs/dbraw/zinc/69/51/79/376695179.db2.gz FFQFGDVWLATSPG-VNQPRFMTSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000544023128 376695184 /nfs/dbraw/zinc/69/51/84/376695184.db2.gz FFQFGDVWLATSPG-VNQPRFMTSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544023128 376695187 /nfs/dbraw/zinc/69/51/87/376695187.db2.gz FFQFGDVWLATSPG-VNQPRFMTSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000544023128 376695190 /nfs/dbraw/zinc/69/51/90/376695190.db2.gz FFQFGDVWLATSPG-VNQPRFMTSA-N 1 3 278.465 3.095 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000544895522 376768794 /nfs/dbraw/zinc/76/87/94/376768794.db2.gz YOFKXYRSSMNGSP-HOTGVXAUSA-N 1 3 254.462 3.476 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000544895522 376768803 /nfs/dbraw/zinc/76/88/03/376768803.db2.gz YOFKXYRSSMNGSP-HOTGVXAUSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000245537826 376844682 /nfs/dbraw/zinc/84/46/82/376844682.db2.gz JFZOXKHAPUYHAS-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000245537826 376844687 /nfs/dbraw/zinc/84/46/87/376844687.db2.gz JFZOXKHAPUYHAS-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000556893576 376901945 /nfs/dbraw/zinc/90/19/45/376901945.db2.gz VYGPVSPKANBFTJ-HRCADAONSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810707 376913379 /nfs/dbraw/zinc/91/33/79/376913379.db2.gz ZHPXPRPTPKXCAX-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810707 376913385 /nfs/dbraw/zinc/91/33/85/376913385.db2.gz ZHPXPRPTPKXCAX-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000245959259 376945590 /nfs/dbraw/zinc/94/55/90/376945590.db2.gz UMQJAXYPRPNOHQ-UONOGXRCSA-N 1 3 280.843 3.375 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000557904947 376963270 /nfs/dbraw/zinc/96/32/70/376963270.db2.gz KWPNVELAELQZJK-GJZGRUSLSA-N 1 3 278.415 3.249 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426634 377051848 /nfs/dbraw/zinc/05/18/48/377051848.db2.gz MBJZLMQNJMUCMG-SWLSCSKDSA-N 1 3 282.378 3.228 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426634 377051854 /nfs/dbraw/zinc/05/18/54/377051854.db2.gz MBJZLMQNJMUCMG-SWLSCSKDSA-N 1 3 282.378 3.228 20 0 CGADHO C[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246221861 376991748 /nfs/dbraw/zinc/99/17/48/376991748.db2.gz QPVIRJYQBTXIBC-SJORKVTESA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)c1ccccc1 ZINC000246221861 376991754 /nfs/dbraw/zinc/99/17/54/376991754.db2.gz QPVIRJYQBTXIBC-SJORKVTESA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)c1ccccc1 ZINC000246221861 376991760 /nfs/dbraw/zinc/99/17/60/376991760.db2.gz QPVIRJYQBTXIBC-SJORKVTESA-N 1 3 272.436 3.208 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000558419301 377006836 /nfs/dbraw/zinc/00/68/36/377006836.db2.gz SKXDFYSKXAPEEP-RDJZCZTQSA-N 1 3 292.442 3.467 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(F)c1 ZINC000247063245 377153005 /nfs/dbraw/zinc/15/30/05/377153005.db2.gz MQJVPCPAUWQIPM-CWRNSKLLSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(F)c1 ZINC000247063245 377153010 /nfs/dbraw/zinc/15/30/10/377153010.db2.gz MQJVPCPAUWQIPM-CWRNSKLLSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@H]1C[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000560883482 377198437 /nfs/dbraw/zinc/19/84/37/377198437.db2.gz JXLYDUQWOVPYGB-KBPBESRZSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247920410 377243670 /nfs/dbraw/zinc/24/36/70/377243670.db2.gz BCZCNNWIMROLTP-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247920410 377243672 /nfs/dbraw/zinc/24/36/72/377243672.db2.gz BCZCNNWIMROLTP-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247920410 377243673 /nfs/dbraw/zinc/24/36/73/377243673.db2.gz BCZCNNWIMROLTP-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247920410 377243676 /nfs/dbraw/zinc/24/36/76/377243676.db2.gz BCZCNNWIMROLTP-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248455331 377324220 /nfs/dbraw/zinc/32/42/20/377324220.db2.gz HUTQODWGMMJIID-VQHPVUNQSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248455331 377324232 /nfs/dbraw/zinc/32/42/32/377324232.db2.gz HUTQODWGMMJIID-VQHPVUNQSA-N 1 3 264.457 3.229 20 0 CGADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000562960396 377378242 /nfs/dbraw/zinc/37/82/42/377378242.db2.gz QGWAHKQAVFWXSA-OWCLPIDISA-N 1 3 264.457 3.323 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562960389 377379279 /nfs/dbraw/zinc/37/92/79/377379279.db2.gz POYBFYKDTPRNBE-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000562960389 377379290 /nfs/dbraw/zinc/37/92/90/377379290.db2.gz POYBFYKDTPRNBE-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)CC3 ZINC000562746415 377356038 /nfs/dbraw/zinc/35/60/38/377356038.db2.gz IRMLOKVHNGHDBE-CPUCHLNUSA-N 1 3 297.446 3.051 20 0 CGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(C)C ZINC000248882780 377421177 /nfs/dbraw/zinc/42/11/77/377421177.db2.gz RUVYYEIOXUDINA-BRWVUGGUSA-N 1 3 296.499 3.289 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC12CC2 ZINC000563444010 377468003 /nfs/dbraw/zinc/46/80/03/377468003.db2.gz XVIWVWMTWSJRGK-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)Cc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000095015730 249043043 /nfs/dbraw/zinc/04/30/43/249043043.db2.gz CKQQBMVDHXCPRR-YJBOKZPZSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000095015730 249043045 /nfs/dbraw/zinc/04/30/45/249043045.db2.gz CKQQBMVDHXCPRR-YJBOKZPZSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)CC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000094848924 249043699 /nfs/dbraw/zinc/04/36/99/249043699.db2.gz FQAHKYXNMKAFHN-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000094848924 249043701 /nfs/dbraw/zinc/04/37/01/249043701.db2.gz FQAHKYXNMKAFHN-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO C[NH+]1CCC(CNCc2cc(Cl)sc2Cl)CC1 ZINC000312610643 249081614 /nfs/dbraw/zinc/08/16/14/249081614.db2.gz VUNNHEUGXZTLJT-UHFFFAOYSA-N 1 3 293.263 3.486 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422905462 249127192 /nfs/dbraw/zinc/12/71/92/249127192.db2.gz ZBVWSIIMOLREDR-QWHCGFSZSA-N 1 3 284.831 3.133 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@H](C)C[C@H](C)N ZINC000422905462 249127194 /nfs/dbraw/zinc/12/71/94/249127194.db2.gz ZBVWSIIMOLREDR-QWHCGFSZSA-N 1 3 284.831 3.133 20 0 CGADHO CN(CCc1cccc2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC000469875718 249161046 /nfs/dbraw/zinc/16/10/46/249161046.db2.gz YCUHZKBKLMCJEO-INIZCTEOSA-N 1 3 282.431 3.314 20 0 CGADHO C[N@H+](CCc1cccc2ccccc21)C[C@H]1CCCNC1 ZINC000469875718 249161049 /nfs/dbraw/zinc/16/10/49/249161049.db2.gz YCUHZKBKLMCJEO-INIZCTEOSA-N 1 3 282.431 3.314 20 0 CGADHO C[N@@H+](CCc1cccc2ccccc21)C[C@H]1CCCNC1 ZINC000469875718 249161050 /nfs/dbraw/zinc/16/10/50/249161050.db2.gz YCUHZKBKLMCJEO-INIZCTEOSA-N 1 3 282.431 3.314 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)cc(C)c1OC(F)F ZINC000469865560 249161738 /nfs/dbraw/zinc/16/17/38/249161738.db2.gz VVYUSIPPZDMXNZ-OCCSQVGLSA-N 1 3 298.377 3.074 20 0 CGADHO C[NH2+]C[C@H]1CCCN(C[C@H](C)CCc2ccccc2)C1 ZINC000469997122 249165929 /nfs/dbraw/zinc/16/59/29/249165929.db2.gz VWASINHPWABCLN-SJLPKXTDSA-N 1 3 274.452 3.187 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000469997122 249165932 /nfs/dbraw/zinc/16/59/32/249165932.db2.gz VWASINHPWABCLN-SJLPKXTDSA-N 1 3 274.452 3.187 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000469983909 249164222 /nfs/dbraw/zinc/16/42/22/249164222.db2.gz JLKHMPHBRIWHRJ-IAGOWNOFSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000469983909 249164225 /nfs/dbraw/zinc/16/42/25/249164225.db2.gz JLKHMPHBRIWHRJ-IAGOWNOFSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000469983909 249164228 /nfs/dbraw/zinc/16/42/28/249164228.db2.gz JLKHMPHBRIWHRJ-IAGOWNOFSA-N 1 3 272.436 3.092 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000469997122 249165934 /nfs/dbraw/zinc/16/59/34/249165934.db2.gz VWASINHPWABCLN-SJLPKXTDSA-N 1 3 274.452 3.187 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000250584464 377562847 /nfs/dbraw/zinc/56/28/47/377562847.db2.gz WUOKBHYDZNKHLS-VVLHAWIVSA-N 1 3 294.483 3.043 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000250584464 377562856 /nfs/dbraw/zinc/56/28/56/377562856.db2.gz WUOKBHYDZNKHLS-VVLHAWIVSA-N 1 3 294.483 3.043 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c(C)o1 ZINC000251055680 377572529 /nfs/dbraw/zinc/57/25/29/377572529.db2.gz AXPXZEFWIALIKN-WHOFXGATSA-N 1 3 250.386 3.065 20 0 CGADHO C[C@@H](CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251250802 377578044 /nfs/dbraw/zinc/57/80/44/377578044.db2.gz UMHICYOAQNAMRV-QTXGHNMQSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](c1ccccc1F)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000251599716 377591234 /nfs/dbraw/zinc/59/12/34/377591234.db2.gz YZUFKTITFLLNSR-ZIAGYGMSSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758512 377615671 /nfs/dbraw/zinc/61/56/71/377615671.db2.gz QFZCMCNWCVKSBV-JKSUJKDBSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758512 377615678 /nfs/dbraw/zinc/61/56/78/377615678.db2.gz QFZCMCNWCVKSBV-JKSUJKDBSA-N 1 3 292.471 3.115 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862731 377667091 /nfs/dbraw/zinc/66/70/91/377667091.db2.gz OGHFEZMYAMOYSY-SHPPOPEUSA-N 1 3 278.827 3.460 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1cc(Cl)ccc1F ZINC000259961758 377806893 /nfs/dbraw/zinc/80/68/93/377806893.db2.gz HLHWHYZISCYCJK-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1ccc([C@H](C)N(C)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000261574747 377820775 /nfs/dbraw/zinc/82/07/75/377820775.db2.gz XPNOXJNJGWAFNA-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCCNC2)c(C)c1 ZINC000261574747 377820780 /nfs/dbraw/zinc/82/07/80/377820780.db2.gz XPNOXJNJGWAFNA-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCCNC2)c(C)c1 ZINC000261574747 377820782 /nfs/dbraw/zinc/82/07/82/377820782.db2.gz XPNOXJNJGWAFNA-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261573885 377821618 /nfs/dbraw/zinc/82/16/18/377821618.db2.gz AVHPQLNYWFIVQE-KRWDZBQOSA-N 1 3 260.425 3.056 20 0 CGADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000261573885 377821625 /nfs/dbraw/zinc/82/16/25/377821625.db2.gz AVHPQLNYWFIVQE-KRWDZBQOSA-N 1 3 260.425 3.056 20 0 CGADHO CC(C)Cc1ccc(C[N@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000261573885 377821629 /nfs/dbraw/zinc/82/16/29/377821629.db2.gz AVHPQLNYWFIVQE-KRWDZBQOSA-N 1 3 260.425 3.056 20 0 CGADHO CC[N@H+](CCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000261640379 377832305 /nfs/dbraw/zinc/83/23/05/377832305.db2.gz AEOZSJPNQORGTM-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO CC[N@@H+](CCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000261640379 377832312 /nfs/dbraw/zinc/83/23/12/377832312.db2.gz AEOZSJPNQORGTM-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO c1ccc2oc([C@@H]3CCCCN3CC3CC[NH2+]CC3)nc2c1 ZINC000261648456 377834523 /nfs/dbraw/zinc/83/45/23/377834523.db2.gz AXLMVPPZQUIHTC-INIZCTEOSA-N 1 3 299.418 3.354 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261648745 377834849 /nfs/dbraw/zinc/83/48/49/377834849.db2.gz QPJNHZZMMIOHNO-KBXCAEBGSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261648745 377834856 /nfs/dbraw/zinc/83/48/56/377834856.db2.gz QPJNHZZMMIOHNO-KBXCAEBGSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261648745 377834864 /nfs/dbraw/zinc/83/48/64/377834864.db2.gz QPJNHZZMMIOHNO-KBXCAEBGSA-N 1 3 270.420 3.138 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCOCC1 ZINC000261672104 377836699 /nfs/dbraw/zinc/83/66/99/377836699.db2.gz LLYVLRCHGUWGEU-YESZJQIVSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccccc1C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261690636 377839274 /nfs/dbraw/zinc/83/92/74/377839274.db2.gz AVQKVMGPXDIZPR-GOSISDBHSA-N 1 3 272.436 3.174 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)CN2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261904896 377865289 /nfs/dbraw/zinc/86/52/89/377865289.db2.gz WTOSGEFEAQRCOI-WBAXXEDZSA-N 1 3 288.435 3.078 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183370564 542230558 /nfs/dbraw/zinc/23/05/58/542230558.db2.gz WEHDDBKFYZADNG-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183370564 542230560 /nfs/dbraw/zinc/23/05/60/542230560.db2.gz WEHDDBKFYZADNG-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccsc1 ZINC000262037096 377881479 /nfs/dbraw/zinc/88/14/79/377881479.db2.gz XVOFWQUSLQERTP-UKRRQHHQSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@H+](C[C@@H]1CCCNC1)[C@H](C)Cc1ccsc1 ZINC000262037096 377881483 /nfs/dbraw/zinc/88/14/83/377881483.db2.gz XVOFWQUSLQERTP-UKRRQHHQSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCNC1)[C@H](C)Cc1ccsc1 ZINC000262037096 377881486 /nfs/dbraw/zinc/88/14/86/377881486.db2.gz XVOFWQUSLQERTP-UKRRQHHQSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039778 377883031 /nfs/dbraw/zinc/88/30/31/377883031.db2.gz PAPOYMNNBVYOCL-HOTGVXAUSA-N 1 3 264.457 3.278 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)c1C ZINC000261744274 377849727 /nfs/dbraw/zinc/84/97/27/377849727.db2.gz IZJBZTPEQKLLNX-ZWKOTPCHSA-N 1 3 272.436 3.440 20 0 CGADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261781033 377853127 /nfs/dbraw/zinc/85/31/27/377853127.db2.gz PMUMLHFJZMULAC-IPELMVKDSA-N 1 3 280.415 3.422 20 0 CGADHO C[C@@H](c1ccccc1)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261781033 377853132 /nfs/dbraw/zinc/85/31/32/377853132.db2.gz PMUMLHFJZMULAC-IPELMVKDSA-N 1 3 280.415 3.422 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000262543318 377900593 /nfs/dbraw/zinc/90/05/93/377900593.db2.gz RJDOWLPGYQNKCK-ZBFHGGJFSA-N 1 3 298.430 3.265 20 0 CGADHO Cc1ccoc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343586469 378028519 /nfs/dbraw/zinc/02/85/19/378028519.db2.gz DULSFFJXBCJOOD-GASCZTMLSA-N 1 3 278.440 3.436 20 0 CGADHO Cc1ccoc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343586469 378028525 /nfs/dbraw/zinc/02/85/25/378028525.db2.gz DULSFFJXBCJOOD-GASCZTMLSA-N 1 3 278.440 3.436 20 0 CGADHO COCCC[NH+]1CCC(N[C@H](C)c2sccc2C)CC1 ZINC000268814836 378118697 /nfs/dbraw/zinc/11/86/97/378118697.db2.gz FHMSCUZOGOPVQH-CQSZACIVSA-N 1 3 296.480 3.208 20 0 CGADHO CCN(CCOc1c(C)cccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345210223 378223842 /nfs/dbraw/zinc/22/38/42/378223842.db2.gz QZXHDPQPBLUSLD-QGZVFWFLSA-N 1 3 290.451 3.146 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000345182376 378216025 /nfs/dbraw/zinc/21/60/25/378216025.db2.gz VWYZGKVXIXDCEV-JKSUJKDBSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345182376 378216026 /nfs/dbraw/zinc/21/60/26/378216026.db2.gz VWYZGKVXIXDCEV-JKSUJKDBSA-N 1 3 290.451 3.186 20 0 CGADHO Fc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000344031279 378155643 /nfs/dbraw/zinc/15/56/43/378155643.db2.gz HFWHQXISVWDFNJ-FZKQIMNGSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031279 378155648 /nfs/dbraw/zinc/15/56/48/378155648.db2.gz HFWHQXISVWDFNJ-FZKQIMNGSA-N 1 3 288.410 3.277 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)Cc1ccccc1 ZINC000579461577 378163225 /nfs/dbraw/zinc/16/32/25/378163225.db2.gz FMZYWRVITVYVCB-UHOSZYNNSA-N 1 3 288.479 3.479 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000565512816 322080379 /nfs/dbraw/zinc/08/03/79/322080379.db2.gz OYUBRJDBLSRIIZ-BHYGNILZSA-N 1 3 264.457 3.395 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)Cc2cnc3ccccc3c2)C1 ZINC000271063813 378445190 /nfs/dbraw/zinc/44/51/90/378445190.db2.gz HQDAYGKLMNGXDH-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)Cc2cnc3ccccc3c2)C1 ZINC000271063813 378445195 /nfs/dbraw/zinc/44/51/95/378445195.db2.gz HQDAYGKLMNGXDH-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000271877034 378510302 /nfs/dbraw/zinc/51/03/02/378510302.db2.gz OLKCHMNXNQCKPD-LJQANCHMSA-N 1 3 286.463 3.495 20 0 CGADHO C[C@H](NCc1cc[nH]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134339 378569998 /nfs/dbraw/zinc/56/99/98/378569998.db2.gz AAXHNMYZLOSNDT-YJBOKZPZSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@H](NCc1cc[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134339 378570007 /nfs/dbraw/zinc/57/00/07/378570007.db2.gz AAXHNMYZLOSNDT-YJBOKZPZSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@H]([NH2+]Cc1cc[nH]c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272134339 378570015 /nfs/dbraw/zinc/57/00/15/378570015.db2.gz AAXHNMYZLOSNDT-YJBOKZPZSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000346505286 378598828 /nfs/dbraw/zinc/59/88/28/378598828.db2.gz XRPYMOINOFTTED-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H](C)C2 ZINC000272587518 378672166 /nfs/dbraw/zinc/67/21/66/378672166.db2.gz HKSPYOXXRYIBJL-KSSFIOAISA-N 1 3 270.420 3.080 20 0 CGADHO CCCCOc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346680817 378672708 /nfs/dbraw/zinc/67/27/08/378672708.db2.gz MTBPUVMOJYHVCY-GOEBONIOSA-N 1 3 276.424 3.035 20 0 CGADHO C(C[C@@H]1CCO1)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022652 378672992 /nfs/dbraw/zinc/67/29/92/378672992.db2.gz KFGQNLTUXRNLOE-ZWKOTPCHSA-N 1 3 294.483 3.144 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000347000714 378704224 /nfs/dbraw/zinc/70/42/24/378704224.db2.gz ZVWFTIRTNGBARU-HNNXBMFYSA-N 1 3 250.430 3.032 20 0 CGADHO C([C@H]1CCCNC1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000347000714 378704230 /nfs/dbraw/zinc/70/42/30/378704230.db2.gz ZVWFTIRTNGBARU-HNNXBMFYSA-N 1 3 250.430 3.032 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133959 378713859 /nfs/dbraw/zinc/71/38/59/378713859.db2.gz MBEIVSOWFYUKNB-MRXNPFEDSA-N 1 3 290.451 3.118 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133959 378713862 /nfs/dbraw/zinc/71/38/62/378713862.db2.gz MBEIVSOWFYUKNB-MRXNPFEDSA-N 1 3 290.451 3.118 20 0 CGADHO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC1(F)F ZINC000638455221 378810590 /nfs/dbraw/zinc/81/05/90/378810590.db2.gz SSBZOTFIFBBLJZ-SWLSCSKDSA-N 1 3 286.410 3.274 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CC1(F)F ZINC000638455221 378810595 /nfs/dbraw/zinc/81/05/95/378810595.db2.gz SSBZOTFIFBBLJZ-SWLSCSKDSA-N 1 3 286.410 3.274 20 0 CGADHO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000638455222 378810659 /nfs/dbraw/zinc/81/06/59/378810659.db2.gz SSBZOTFIFBBLJZ-WFASDCNBSA-N 1 3 286.410 3.274 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000638455222 378810664 /nfs/dbraw/zinc/81/06/64/378810664.db2.gz SSBZOTFIFBBLJZ-WFASDCNBSA-N 1 3 286.410 3.274 20 0 CGADHO c1ccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346904462 218055406 /nfs/dbraw/zinc/05/54/06/218055406.db2.gz LVVASDQMHIXZMY-MSOLQXFVSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346904462 218055408 /nfs/dbraw/zinc/05/54/08/218055408.db2.gz LVVASDQMHIXZMY-MSOLQXFVSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2([NH2+][C@@H]3CCN4CCC[C@H]4C3)CCC2)cc1 ZINC000346904462 218055410 /nfs/dbraw/zinc/05/54/10/218055410.db2.gz LVVASDQMHIXZMY-MSOLQXFVSA-N 1 3 284.447 3.368 20 0 CGADHO COc1ccc(C2(NC[C@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000346977289 218075288 /nfs/dbraw/zinc/07/52/88/218075288.db2.gz KIWKWPWGFJXHMK-HNNXBMFYSA-N 1 3 288.435 3.054 20 0 CGADHO COc1ccc(C2([NH2+]C[C@H]3CCCNC3)CCCC2)cc1 ZINC000346977289 218075290 /nfs/dbraw/zinc/07/52/90/218075290.db2.gz KIWKWPWGFJXHMK-HNNXBMFYSA-N 1 3 288.435 3.054 20 0 CGADHO CC(C)CCC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000276158288 378962509 /nfs/dbraw/zinc/96/25/09/378962509.db2.gz FUROONOBXNGLNV-UHFFFAOYSA-N 1 3 275.440 3.324 20 0 CGADHO CCC[N@H+](C/C=C/c1ccccc1OC)C1CCNCC1 ZINC000347085929 218116997 /nfs/dbraw/zinc/11/69/97/218116997.db2.gz BHMPUSKAMYWRGM-SOFGYWHQSA-N 1 3 288.435 3.172 20 0 CGADHO CCC[N@@H+](C/C=C/c1ccccc1OC)C1CCNCC1 ZINC000347085929 218117000 /nfs/dbraw/zinc/11/70/00/218117000.db2.gz BHMPUSKAMYWRGM-SOFGYWHQSA-N 1 3 288.435 3.172 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211864 218156649 /nfs/dbraw/zinc/15/66/49/218156649.db2.gz PGZXLDTVHXUKPB-YJBOKZPZSA-N 1 3 295.430 3.308 20 0 CGADHO COC1([C@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CCCC1 ZINC000421821017 284749365 /nfs/dbraw/zinc/74/93/65/284749365.db2.gz OZLFJQRCADTPNV-HNNXBMFYSA-N 1 3 290.451 3.186 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCC[C@H](N(C)C)CC3)ccc2n1 ZINC000277296781 379122580 /nfs/dbraw/zinc/12/25/80/379122580.db2.gz AVMDWVQJDWZZCP-SFHVURJKSA-N 1 3 297.446 3.459 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCC[C@H](N(C)C)CC3)ccc2n1 ZINC000277296781 379122586 /nfs/dbraw/zinc/12/25/86/379122586.db2.gz AVMDWVQJDWZZCP-SFHVURJKSA-N 1 3 297.446 3.459 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1C[C@@H]1C ZINC000348971242 379126123 /nfs/dbraw/zinc/12/61/23/379126123.db2.gz XYGDHRIEJJZBGB-YOEHRIQHSA-N 1 3 260.425 3.226 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1C[C@@H]1C ZINC000348971242 379126127 /nfs/dbraw/zinc/12/61/27/379126127.db2.gz XYGDHRIEJJZBGB-YOEHRIQHSA-N 1 3 260.425 3.226 20 0 CGADHO C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)CN1CCCCC1 ZINC000372697049 379200218 /nfs/dbraw/zinc/20/02/18/379200218.db2.gz WEEYFMDLJZSLAV-WWDZGPRUSA-N 1 3 294.483 3.190 20 0 CGADHO CCN1CC[C@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000278866470 194189001 /nfs/dbraw/zinc/18/90/01/194189001.db2.gz MLTDCLQVFYOOBZ-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO CC(C)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000278323950 379348215 /nfs/dbraw/zinc/34/82/15/379348215.db2.gz VMNZICGZCCPDDQ-ALOPSCKCSA-N 1 3 288.435 3.189 20 0 CGADHO C[C@@H](c1ccccc1F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681671 379545874 /nfs/dbraw/zinc/54/58/74/379545874.db2.gz AIGCRETVTUDYFR-HNNXBMFYSA-N 1 3 299.393 3.494 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000350149138 379520099 /nfs/dbraw/zinc/52/00/99/379520099.db2.gz URHRMYATTQEDIA-UHFFFAOYSA-N 1 3 283.419 3.008 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757082 379569639 /nfs/dbraw/zinc/56/96/39/379569639.db2.gz DHEOZKLEKXJSEB-CYBMUJFWSA-N 1 3 294.389 3.444 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccn1C ZINC000267208553 190312033 /nfs/dbraw/zinc/31/20/33/190312033.db2.gz BFUDLRNPCVTBCJ-APWZRJJASA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccn1C ZINC000267208553 190312034 /nfs/dbraw/zinc/31/20/34/190312034.db2.gz BFUDLRNPCVTBCJ-APWZRJJASA-N 1 3 297.446 3.025 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000280795791 379791789 /nfs/dbraw/zinc/79/17/89/379791789.db2.gz KADSILHLKRHGRK-KLHDSHLOSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000280795791 379791795 /nfs/dbraw/zinc/79/17/95/379791795.db2.gz KADSILHLKRHGRK-KLHDSHLOSA-N 1 3 288.410 3.288 20 0 CGADHO C[C@@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534855 379847420 /nfs/dbraw/zinc/84/74/20/379847420.db2.gz JVSRJYOBCNQWQI-YOEHRIQHSA-N 1 3 276.399 3.005 20 0 CGADHO Cc1cccc(CN(C)CCCC[NH+]2CCCCC2)n1 ZINC000640530322 379819078 /nfs/dbraw/zinc/81/90/78/379819078.db2.gz BMUCKPVQBVZGSE-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO Cc1nc(C)c(CN(C)CCCC[NH+]2CCCCC2)s1 ZINC000640533981 379819890 /nfs/dbraw/zinc/81/98/90/379819890.db2.gz YSFIUNHGUQKIHO-UHFFFAOYSA-N 1 3 295.496 3.458 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000392277055 379910535 /nfs/dbraw/zinc/91/05/35/379910535.db2.gz CWOHEDRSUULQHR-LLVKDONJSA-N 1 3 282.790 3.392 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000392277055 379910542 /nfs/dbraw/zinc/91/05/42/379910542.db2.gz CWOHEDRSUULQHR-LLVKDONJSA-N 1 3 282.790 3.392 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]2C1)CC(F)(F)F ZINC000402536638 379967267 /nfs/dbraw/zinc/96/72/67/379967267.db2.gz YHXOSPPTYWPIRC-XQQFMLRXSA-N 1 3 278.362 3.181 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)ccn1 ZINC000403315688 379974065 /nfs/dbraw/zinc/97/40/65/379974065.db2.gz BRDLQVWRKDDCTA-OAGGEKHMSA-N 1 3 285.435 3.076 20 0 CGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c1 ZINC000282888637 380007561 /nfs/dbraw/zinc/00/75/61/380007561.db2.gz DFQHBXRPNLFXHZ-GOSISDBHSA-N 1 3 297.446 3.405 20 0 CGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c1 ZINC000282888637 380007569 /nfs/dbraw/zinc/00/75/69/380007569.db2.gz DFQHBXRPNLFXHZ-GOSISDBHSA-N 1 3 297.446 3.405 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510548 380013583 /nfs/dbraw/zinc/01/35/83/380013583.db2.gz SIVIROZLUZENEK-JONQDZQNSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510549 380015094 /nfs/dbraw/zinc/01/50/94/380015094.db2.gz SIVIROZLUZENEK-QXSJWSMHSA-N 1 3 250.430 3.029 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641790250 380100553 /nfs/dbraw/zinc/10/05/53/380100553.db2.gz VWBPLZDOAUSZMS-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641790250 380100561 /nfs/dbraw/zinc/10/05/61/380100561.db2.gz VWBPLZDOAUSZMS-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641790250 380100568 /nfs/dbraw/zinc/10/05/68/380100568.db2.gz VWBPLZDOAUSZMS-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643031508 380205957 /nfs/dbraw/zinc/20/59/57/380205957.db2.gz QKUPRNGKGTWHAD-KBXCAEBGSA-N 1 3 295.430 3.294 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000353946502 380249722 /nfs/dbraw/zinc/24/97/22/380249722.db2.gz HHKXEOCYPFRKPV-UHFFFAOYSA-N 1 3 278.362 3.181 20 0 CGADHO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000353975445 380260033 /nfs/dbraw/zinc/26/00/33/380260033.db2.gz UWQKTUNOEWLWJO-NXHRZFHOSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000353975445 380260041 /nfs/dbraw/zinc/26/00/41/380260041.db2.gz UWQKTUNOEWLWJO-NXHRZFHOSA-N 1 3 290.451 3.227 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353503363 380210647 /nfs/dbraw/zinc/21/06/47/380210647.db2.gz ORYDMYPUERHCNI-NZSAHSFTSA-N 1 3 295.430 3.197 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1C(C)(C)C1(C)C ZINC000353928774 380240950 /nfs/dbraw/zinc/24/09/50/380240950.db2.gz LNCLLZVBZRYTSX-MELADBBJSA-N 1 3 264.457 3.274 20 0 CGADHO Cc1cccc(C[C@@H](NC[C@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501629 380323346 /nfs/dbraw/zinc/32/33/46/380323346.db2.gz MRIKQLRHOCNYOI-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000643522029 380336995 /nfs/dbraw/zinc/33/69/95/380336995.db2.gz GPFIVTGQVOIHKN-RDJZCZTQSA-N 1 3 292.854 3.393 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643503551 380326689 /nfs/dbraw/zinc/32/66/89/380326689.db2.gz YRFQQSJYGLGNHT-ZQIUZPCESA-N 1 3 288.435 3.050 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643521850 380337386 /nfs/dbraw/zinc/33/73/86/380337386.db2.gz DIRIUBCRDJFSNM-YCPHGPKFSA-N 1 3 258.409 3.275 20 0 CGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC(C2CC2)C1 ZINC000643345696 380286865 /nfs/dbraw/zinc/28/68/65/380286865.db2.gz GRFPXKMJCOEPMF-UHFFFAOYSA-N 1 3 286.463 3.486 20 0 CGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC(C2CC2)C1 ZINC000643345696 380286870 /nfs/dbraw/zinc/28/68/70/380286870.db2.gz GRFPXKMJCOEPMF-UHFFFAOYSA-N 1 3 286.463 3.486 20 0 CGADHO CCc1ccc([C@@H](CC)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643521438 380335800 /nfs/dbraw/zinc/33/58/00/380335800.db2.gz IDSPSMXMXFEBBX-DLBZAZTESA-N 1 3 260.425 3.432 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457570 380309778 /nfs/dbraw/zinc/30/97/78/380309778.db2.gz NKSFYOWLQQNGAG-ABAIWWIYSA-N 1 3 291.826 3.081 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCCC[C@H]1C ZINC000643547540 380363824 /nfs/dbraw/zinc/36/38/24/380363824.db2.gz GSEAFFDQIWUDAC-FPCVCCKLSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548973 380364369 /nfs/dbraw/zinc/36/43/69/380364369.db2.gz YIYYTMPVUPMXIR-DOTOQJQBSA-N 1 3 287.451 3.057 20 0 CGADHO CC(C)N(CCC[NH3+])Cc1ccc(Br)cc1 ZINC000414678362 380367475 /nfs/dbraw/zinc/36/74/75/380367475.db2.gz QJSRGQKPNYDLDG-UHFFFAOYSA-N 1 3 285.229 3.008 20 0 CGADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690344 380376195 /nfs/dbraw/zinc/37/61/95/380376195.db2.gz AIIBDRXDRQKDQP-WMZOPIPTSA-N 1 3 289.467 3.263 20 0 CGADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690344 380376197 /nfs/dbraw/zinc/37/61/97/380376197.db2.gz AIIBDRXDRQKDQP-WMZOPIPTSA-N 1 3 289.467 3.263 20 0 CGADHO CC[N@H+](C[C@@H]1CCCC[C@H]1C)[C@H]1CCCNCC1 ZINC000414715285 380385384 /nfs/dbraw/zinc/38/53/84/380385384.db2.gz MUPVPUWKXWQVLT-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCC[C@H]1C)[C@H]1CCCNCC1 ZINC000414715285 380385390 /nfs/dbraw/zinc/38/53/90/380385390.db2.gz MUPVPUWKXWQVLT-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643522985 380339560 /nfs/dbraw/zinc/33/95/60/380339560.db2.gz RTWQHXRXPIOSMM-PMPSAXMXSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000643524430 380341008 /nfs/dbraw/zinc/34/10/08/380341008.db2.gz CNBMHKQSWWDWML-QCODTGAPSA-N 1 3 252.446 3.035 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000643527557 380342507 /nfs/dbraw/zinc/34/25/07/380342507.db2.gz OLTKSDBMHNANHR-LEWSCRJBSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@H](N)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000643526687 380343044 /nfs/dbraw/zinc/34/30/44/380343044.db2.gz DRZWMJMQJSCSRL-SUMWQHHRSA-N 1 3 272.367 3.046 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H](C)N)c1ccc(C(F)(F)F)cc1 ZINC000643528104 380344759 /nfs/dbraw/zinc/34/47/59/380344759.db2.gz ZOOWOXZWICIIQO-GXFFZTMASA-N 1 3 274.330 3.339 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000643528732 380344816 /nfs/dbraw/zinc/34/48/16/380344816.db2.gz NQBDNLMOFSSNQK-ZJUUUORDSA-N 1 3 292.370 3.339 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cs1 ZINC000414812949 380423780 /nfs/dbraw/zinc/42/37/80/380423780.db2.gz XRYDZRHKTOVWAF-CABZTGNLSA-N 1 3 258.818 3.009 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C\c1ccc(F)cc1F ZINC000414813335 380424706 /nfs/dbraw/zinc/42/47/06/380424706.db2.gz YDPJJUZXXLWXBQ-FYQXYTAUSA-N 1 3 280.362 3.085 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414817834 380427514 /nfs/dbraw/zinc/42/75/14/380427514.db2.gz BWOWQYUNEFTJNM-RYUDHWBXSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414817834 380427521 /nfs/dbraw/zinc/42/75/21/380427521.db2.gz BWOWQYUNEFTJNM-RYUDHWBXSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414818477 380430270 /nfs/dbraw/zinc/43/02/70/380430270.db2.gz FDWIHVHAAMTTJV-CORIIIEPSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414818477 380430279 /nfs/dbraw/zinc/43/02/79/380430279.db2.gz FDWIHVHAAMTTJV-CORIIIEPSA-N 1 3 266.816 3.303 20 0 CGADHO COc1ccc(C2CCC([NH2+]CC[C@H](C)N)CC2)cc1 ZINC000414818360 380430836 /nfs/dbraw/zinc/43/08/36/380430836.db2.gz DUROEIIZEBIDNX-HLIUYOAVSA-N 1 3 276.424 3.048 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CCC[C@H]3C[NH3+])ccc2c1 ZINC000414789118 380405265 /nfs/dbraw/zinc/40/52/65/380405265.db2.gz FAKHVNJFZMOACH-FUHWJXTLSA-N 1 3 284.403 3.065 20 0 CGADHO Clc1ccccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789647 380406916 /nfs/dbraw/zinc/40/69/16/380406916.db2.gz YJSWMRGGIVTAAA-ZIAGYGMSSA-N 1 3 278.827 3.162 20 0 CGADHO Fc1ccccc1-c1ccc(C[NH2+]C2CCNCC2)s1 ZINC000414790106 380406931 /nfs/dbraw/zinc/40/69/31/380406931.db2.gz OVTNKXGHMPKDNL-UHFFFAOYSA-N 1 3 290.407 3.396 20 0 CGADHO CC(C)[C@@H]([NH3+])CNC[C@@H](C)c1cccc(Br)c1 ZINC000414789875 380406990 /nfs/dbraw/zinc/40/69/90/380406990.db2.gz FYPLMUVFTNHVKL-RISCZKNCSA-N 1 3 299.256 3.126 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414797232 380411115 /nfs/dbraw/zinc/41/11/15/380411115.db2.gz IKQQCKJRTPIXNG-BPQIPLTHSA-N 1 3 274.452 3.362 20 0 CGADHO COc1ccc(CNC[C@@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000414911502 380485587 /nfs/dbraw/zinc/48/55/87/380485587.db2.gz UGWYVQCMWMIKBQ-IBGZPJMESA-N 1 3 298.430 3.328 20 0 CGADHO COc1ccc(C[NH2+]C[C@@]2(C)CCCNC2)c2ccccc12 ZINC000414911502 380485592 /nfs/dbraw/zinc/48/55/92/380485592.db2.gz UGWYVQCMWMIKBQ-IBGZPJMESA-N 1 3 298.430 3.328 20 0 CGADHO COc1ccc2ccccc2c1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414909842 380486213 /nfs/dbraw/zinc/48/62/13/380486213.db2.gz CNANDKSNNVAMHS-LSDHHAIUSA-N 1 3 284.403 3.208 20 0 CGADHO Cc1cc(F)c(CNCC2(C)CC[NH2+]CC2)c(Cl)c1 ZINC000414913351 380487890 /nfs/dbraw/zinc/48/78/90/380487890.db2.gz WKTHYUUVJJKJNY-UHFFFAOYSA-N 1 3 284.806 3.267 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cc3ccccc3s2)C1 ZINC000414925208 380492376 /nfs/dbraw/zinc/49/23/76/380492376.db2.gz LNBGHWGUWSKFER-QWHCGFSZSA-N 1 3 260.406 3.261 20 0 CGADHO C[C@H](CCC(F)(F)F)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414932077 380493972 /nfs/dbraw/zinc/49/39/72/380493972.db2.gz SGCLYFGOPBTNGX-GHMZBOCLSA-N 1 3 266.351 3.085 20 0 CGADHO COc1ccc2cc(C[NH2+][C@H]3CCCN[C@H]3C)ccc2c1 ZINC000414937292 380494896 /nfs/dbraw/zinc/49/48/96/380494896.db2.gz DHKZNAWCNHZXST-UGSOOPFHSA-N 1 3 284.403 3.079 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414937198 380496420 /nfs/dbraw/zinc/49/64/20/380496420.db2.gz ZYAFIKHTIMPILP-BRWVUGGUSA-N 1 3 260.425 3.176 20 0 CGADHO CC(C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)C[C@H]1C ZINC000414944347 380500411 /nfs/dbraw/zinc/50/04/11/380500411.db2.gz GUKIGOBTONJZNQ-OXGONZEZSA-N 1 3 252.446 3.177 20 0 CGADHO C[NH2+]CCCN(C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130988 380509466 /nfs/dbraw/zinc/50/94/66/380509466.db2.gz YGJRYTPREZFDOC-IRXDYDNUSA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130988 380509471 /nfs/dbraw/zinc/50/94/71/380509471.db2.gz YGJRYTPREZFDOC-IRXDYDNUSA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130988 380509477 /nfs/dbraw/zinc/50/94/77/380509477.db2.gz YGJRYTPREZFDOC-IRXDYDNUSA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000414860756 380461790 /nfs/dbraw/zinc/46/17/90/380461790.db2.gz QMXAGMRUXKNFIF-DJIMGWMZSA-N 1 3 260.425 3.158 20 0 CGADHO C[NH2+]CCCN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000414860756 380461794 /nfs/dbraw/zinc/46/17/94/380461794.db2.gz QMXAGMRUXKNFIF-DJIMGWMZSA-N 1 3 260.425 3.158 20 0 CGADHO CCOC[C@H]1CCC[C@@H]1NCCC[NH+](C(C)C)C(C)C ZINC000354507707 380463443 /nfs/dbraw/zinc/46/34/43/380463443.db2.gz JBOKIXHWDBXXAD-SJORKVTESA-N 1 3 284.488 3.290 20 0 CGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000354507707 380463450 /nfs/dbraw/zinc/46/34/50/380463450.db2.gz JBOKIXHWDBXXAD-SJORKVTESA-N 1 3 284.488 3.290 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867395 380465151 /nfs/dbraw/zinc/46/51/51/380465151.db2.gz ODFIKSHSKVHCKZ-KURKYZTESA-N 1 3 272.436 3.445 20 0 CGADHO CCCc1cccc(CNCCC[NH2+]Cc2cccnc2)c1 ZINC000414878967 380471870 /nfs/dbraw/zinc/47/18/70/380471870.db2.gz ODCVNKMGZYFBOZ-UHFFFAOYSA-N 1 3 297.446 3.304 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414879473 380472539 /nfs/dbraw/zinc/47/25/39/380472539.db2.gz PLOMZZPHUXNXSB-PXNSSMCTSA-N 1 3 296.458 3.415 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414879475 380472613 /nfs/dbraw/zinc/47/26/13/380472613.db2.gz PLOMZZPHUXNXSB-YLJYHZDGSA-N 1 3 296.458 3.415 20 0 CGADHO CC(C)C[C@@H](CNC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000414894663 380477598 /nfs/dbraw/zinc/47/75/98/380477598.db2.gz UHSQMLRACKWNDS-DLBZAZTESA-N 1 3 260.425 3.143 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3ccccc3c2)C1 ZINC000414907585 380484209 /nfs/dbraw/zinc/48/42/09/380484209.db2.gz AOYFIZJZWSMUHH-IAGOWNOFSA-N 1 3 254.377 3.199 20 0 CGADHO C1C(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334103 380879278 /nfs/dbraw/zinc/87/92/78/380879278.db2.gz PILYYDTVOYTYBI-ZBFHGGJFSA-N 1 3 262.441 3.316 20 0 CGADHO C1C(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334103 380879281 /nfs/dbraw/zinc/87/92/81/380879281.db2.gz PILYYDTVOYTYBI-ZBFHGGJFSA-N 1 3 262.441 3.316 20 0 CGADHO C1C([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334103 380879287 /nfs/dbraw/zinc/87/92/87/380879287.db2.gz PILYYDTVOYTYBI-ZBFHGGJFSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@H](c1ccccc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357092777 381024184 /nfs/dbraw/zinc/02/41/84/381024184.db2.gz XMMCTQKWPADSJD-UKRRQHHQSA-N 1 3 276.399 3.208 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000359623972 381357388 /nfs/dbraw/zinc/35/73/88/381357388.db2.gz XHRZDPLYQWDYHH-KRWDZBQOSA-N 1 3 288.435 3.148 20 0 CGADHO CC(C)C[N@H+](Cc1ccc2c(c1)CNCC2)C(C)C ZINC000211940470 542284877 /nfs/dbraw/zinc/28/48/77/542284877.db2.gz QJFDRKOIRYFAHX-UHFFFAOYSA-N 1 3 260.425 3.199 20 0 CGADHO CC(C)C[N@@H+](Cc1ccc2c(c1)CNCC2)C(C)C ZINC000211940470 542284879 /nfs/dbraw/zinc/28/48/79/542284879.db2.gz QJFDRKOIRYFAHX-UHFFFAOYSA-N 1 3 260.425 3.199 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000359994332 381402542 /nfs/dbraw/zinc/40/25/42/381402542.db2.gz MOYDCVGNYKLMSH-QZWWFDLISA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(CCCc3ccsc3)CC[C@@H]21 ZINC000360969463 381634575 /nfs/dbraw/zinc/63/45/75/381634575.db2.gz GYIMYEDBAYQDOJ-CVEARBPZSA-N 1 3 278.465 3.097 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(CCCc3ccsc3)CC[C@@H]21 ZINC000360969463 381634585 /nfs/dbraw/zinc/63/45/85/381634585.db2.gz GYIMYEDBAYQDOJ-CVEARBPZSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969463 381634594 /nfs/dbraw/zinc/63/45/94/381634594.db2.gz GYIMYEDBAYQDOJ-CVEARBPZSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969463 381634603 /nfs/dbraw/zinc/63/46/03/381634603.db2.gz GYIMYEDBAYQDOJ-CVEARBPZSA-N 1 3 278.465 3.097 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(CCCc3ccsc3)CC[C@H]21 ZINC000360969466 381635383 /nfs/dbraw/zinc/63/53/83/381635383.db2.gz GYIMYEDBAYQDOJ-JKSUJKDBSA-N 1 3 278.465 3.097 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(CCCc3ccsc3)CC[C@H]21 ZINC000360969466 381635388 /nfs/dbraw/zinc/63/53/88/381635388.db2.gz GYIMYEDBAYQDOJ-JKSUJKDBSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969466 381635393 /nfs/dbraw/zinc/63/53/93/381635393.db2.gz GYIMYEDBAYQDOJ-JKSUJKDBSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969466 381635398 /nfs/dbraw/zinc/63/53/98/381635398.db2.gz GYIMYEDBAYQDOJ-JKSUJKDBSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000475125614 296326959 /nfs/dbraw/zinc/32/69/59/296326959.db2.gz UMXKYOFVMWGRPW-HZPDHXFCSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000475125614 296326963 /nfs/dbraw/zinc/32/69/63/296326963.db2.gz UMXKYOFVMWGRPW-HZPDHXFCSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000235875556 542314147 /nfs/dbraw/zinc/31/41/47/542314147.db2.gz BGVUBEKKZMTRFF-ZDUSSCGKSA-N 1 3 266.816 3.209 20 0 CGADHO CC(C)(C)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247042941 542329593 /nfs/dbraw/zinc/32/95/93/542329593.db2.gz YYIJCZWGMKHSLZ-GOEBONIOSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)(C)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247042941 542329594 /nfs/dbraw/zinc/32/95/94/542329594.db2.gz YYIJCZWGMKHSLZ-GOEBONIOSA-N 1 3 264.457 3.371 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C)nc1 ZINC000348969499 218784804 /nfs/dbraw/zinc/78/48/04/218784804.db2.gz UPUHMAXHVXUEBO-UHFFFAOYSA-N 1 3 297.446 3.474 20 0 CGADHO CCN(Cc1cc(C)sc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435396574 285095093 /nfs/dbraw/zinc/09/50/93/285095093.db2.gz ZJVHFYQVCKJQJE-OAHLLOKOSA-N 1 3 266.454 3.329 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H](C)N)cc1F ZINC000423224619 533138545 /nfs/dbraw/zinc/13/85/45/533138545.db2.gz JOMLHJQQFWHFRL-NOLJZWGESA-N 1 3 294.414 3.187 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339066050 542485994 /nfs/dbraw/zinc/48/59/94/542485994.db2.gz AMBQDOVDUFUROC-SNPRPXQTSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339066050 542485998 /nfs/dbraw/zinc/48/59/98/542485998.db2.gz AMBQDOVDUFUROC-SNPRPXQTSA-N 1 3 294.389 3.285 20 0 CGADHO COc1ccc2cc([C@@H](C)NCC[C@H](C)[NH3+])ccc2c1 ZINC000423232439 533336210 /nfs/dbraw/zinc/33/62/10/533336210.db2.gz MNLZVRNSWIWVIM-QWHCGFSZSA-N 1 3 272.392 3.236 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+]C[C@H](N)C(C)C)ccc2c1 ZINC000423268943 533337137 /nfs/dbraw/zinc/33/71/37/533337137.db2.gz VJFJCMJCZGJSGU-UGSOOPFHSA-N 1 3 286.419 3.482 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)ccc2c1 ZINC000423437105 533337563 /nfs/dbraw/zinc/33/75/63/533337563.db2.gz FYFZNEBWJWJZKW-AVGNSLFASA-N 1 3 272.392 3.235 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@H](C)[C@H](C)N)ccc2c1 ZINC000423437107 533337584 /nfs/dbraw/zinc/33/75/84/533337584.db2.gz FYFZNEBWJWJZKW-XQQFMLRXSA-N 1 3 272.392 3.235 20 0 CGADHO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000358996241 533374941 /nfs/dbraw/zinc/37/49/41/533374941.db2.gz CMPWNHRISAPSNB-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000423327924 533377639 /nfs/dbraw/zinc/37/76/39/533377639.db2.gz NIPOEZKHGVQKPP-SECBINFHSA-N 1 3 292.757 3.331 20 0 CGADHO COc1ccc(C2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000414780511 533430547 /nfs/dbraw/zinc/43/05/47/533430547.db2.gz LMCVKNHDHZSDEO-UHFFFAOYSA-N 1 3 288.435 3.063 20 0 CGADHO C[C@@H](CCCO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449184917 533564744 /nfs/dbraw/zinc/56/47/44/533564744.db2.gz GMIKBKPPNNUWLN-HNNXBMFYSA-N 1 3 298.515 3.416 20 0 CGADHO C[C@@H](CCCO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449184917 533564748 /nfs/dbraw/zinc/56/47/48/533564748.db2.gz GMIKBKPPNNUWLN-HNNXBMFYSA-N 1 3 298.515 3.416 20 0 CGADHO C[C@@H](CCO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162347 533637754 /nfs/dbraw/zinc/63/77/54/533637754.db2.gz RKPXLDIVQISZJH-AWEZNQCLSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@@H](CCO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449162347 533637758 /nfs/dbraw/zinc/63/77/58/533637758.db2.gz RKPXLDIVQISZJH-AWEZNQCLSA-N 1 3 284.488 3.026 20 0 CGADHO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389241998 542607283 /nfs/dbraw/zinc/60/72/83/542607283.db2.gz KYFLZYHCSTZMMO-NVXWUHKLSA-N 1 3 298.434 3.007 20 0 CGADHO CCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389241998 542607284 /nfs/dbraw/zinc/60/72/84/542607284.db2.gz KYFLZYHCSTZMMO-NVXWUHKLSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CCC[NH3+])C1 ZINC000414699203 542638402 /nfs/dbraw/zinc/63/84/02/542638402.db2.gz DMZMKOSJILFZSU-BXUZGUMPSA-N 1 3 286.341 3.437 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414927317 542641008 /nfs/dbraw/zinc/64/10/08/542641008.db2.gz OXYSGFQUPSZRGI-CFVMTHIKSA-N 1 3 278.465 3.199 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414927317 542641011 /nfs/dbraw/zinc/64/10/11/542641011.db2.gz OXYSGFQUPSZRGI-CFVMTHIKSA-N 1 3 278.465 3.199 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414922839 542641364 /nfs/dbraw/zinc/64/13/64/542641364.db2.gz HJMHHHOPOOINEE-DJIMGWMZSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)o1 ZINC000089145889 392227172 /nfs/dbraw/zinc/22/71/72/392227172.db2.gz AXPXZEFWIALIKN-LNSITVRQSA-N 1 3 250.386 3.065 20 0 CGADHO CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821353 392233227 /nfs/dbraw/zinc/23/32/27/392233227.db2.gz WNWZQZAAMOTDOP-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821353 392233229 /nfs/dbraw/zinc/23/32/29/392233229.db2.gz WNWZQZAAMOTDOP-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO CC[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@H](CC)C2)C1 ZINC000431613836 542653036 /nfs/dbraw/zinc/65/30/36/542653036.db2.gz JRVMTFZMSZJBFL-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN(CC[C@@H](C)[N@H+]2CC[C@H](CC)C2)C1 ZINC000431613836 542653037 /nfs/dbraw/zinc/65/30/37/542653037.db2.gz JRVMTFZMSZJBFL-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CC[N@@H+](CC[C@@H](C)N2CC[C@H](CC)C2)C1 ZINC000431613836 542653039 /nfs/dbraw/zinc/65/30/39/542653039.db2.gz JRVMTFZMSZJBFL-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CC[N@H+](CC[C@@H](C)N2CC[C@H](CC)C2)C1 ZINC000431613836 542653041 /nfs/dbraw/zinc/65/30/41/542653041.db2.gz JRVMTFZMSZJBFL-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CC1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000432836437 542653636 /nfs/dbraw/zinc/65/36/36/542653636.db2.gz UWQKEVVHCANVEK-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO C[C@H](c1ccccc1Cl)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125279515 392438253 /nfs/dbraw/zinc/43/82/53/392438253.db2.gz WRDRCQHNHBDGLN-FIRUKDTASA-N 1 3 278.827 3.460 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000290163845 392442796 /nfs/dbraw/zinc/44/27/96/392442796.db2.gz DKKFKXVOSDNKRQ-CXAGYDPISA-N 1 3 256.393 3.086 20 0 CGADHO FC(F)(F)CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000372055743 392578931 /nfs/dbraw/zinc/57/89/31/392578931.db2.gz UXDVMQNTCGJPFN-UHFFFAOYSA-N 1 3 278.362 3.326 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000372060147 392579238 /nfs/dbraw/zinc/57/92/38/392579238.db2.gz PGTYONRLIVMQBM-KRWDZBQOSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000372060147 392579242 /nfs/dbraw/zinc/57/92/42/392579242.db2.gz PGTYONRLIVMQBM-KRWDZBQOSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150337 392546444 /nfs/dbraw/zinc/54/64/44/392546444.db2.gz KKBAOVDVSGDLKW-DIOULYMOSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150337 392546447 /nfs/dbraw/zinc/54/64/47/392546447.db2.gz KKBAOVDVSGDLKW-DIOULYMOSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000156460798 392547716 /nfs/dbraw/zinc/54/77/16/392547716.db2.gz JHNATZKPEJMTTJ-CVEARBPZSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000156460798 392547722 /nfs/dbraw/zinc/54/77/22/392547722.db2.gz JHNATZKPEJMTTJ-CVEARBPZSA-N 1 3 275.440 3.387 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H](c2ccccc2)C(C)C)CC[C@H]1N ZINC000647497482 392740994 /nfs/dbraw/zinc/74/09/94/392740994.db2.gz JHEIURBFCNZBIJ-KBAYOESNSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H](c2ccccc2)C(C)C)CC[C@H]1N ZINC000647497482 392740996 /nfs/dbraw/zinc/74/09/96/392740996.db2.gz JHEIURBFCNZBIJ-KBAYOESNSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1CN(C[C@@H](c2ccccc2)C(C)C)CC[C@H]1[NH3+] ZINC000647497482 392740998 /nfs/dbraw/zinc/74/09/98/392740998.db2.gz JHEIURBFCNZBIJ-KBAYOESNSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@@H](N)[C@@H](CC)C1)c1ccccc1 ZINC000647499102 392742285 /nfs/dbraw/zinc/74/22/85/392742285.db2.gz ZLRARPYHVRDYBO-HLLBOEOZSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@@H](N)[C@@H](CC)C1)c1ccccc1 ZINC000647499102 392742289 /nfs/dbraw/zinc/74/22/89/392742289.db2.gz ZLRARPYHVRDYBO-HLLBOEOZSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](CN1CC[C@@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647499102 392742295 /nfs/dbraw/zinc/74/22/95/392742295.db2.gz ZLRARPYHVRDYBO-HLLBOEOZSA-N 1 3 260.425 3.239 20 0 CGADHO c1ccc2oc([C@@H]3CCCN(C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513616 392746543 /nfs/dbraw/zinc/74/65/43/392746543.db2.gz PLRQGKWFQYEOFZ-LSDHHAIUSA-N 1 3 299.418 3.007 20 0 CGADHO Fc1cccc(F)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542926 392759526 /nfs/dbraw/zinc/75/95/26/392759526.db2.gz DTFGWZDHOSLBAX-KGLIPLIRSA-N 1 3 294.389 3.176 20 0 CGADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000647552671 392765846 /nfs/dbraw/zinc/76/58/46/392765846.db2.gz QJJBGHCDXGCFPC-BZUAXINKSA-N 1 3 264.457 3.134 20 0 CGADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000647552671 392765850 /nfs/dbraw/zinc/76/58/50/392765850.db2.gz QJJBGHCDXGCFPC-BZUAXINKSA-N 1 3 264.457 3.134 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)[C@@H](C)C2 ZINC000180095333 392707799 /nfs/dbraw/zinc/70/77/99/392707799.db2.gz WIORRIUXJWBBHJ-YZVOILCLSA-N 1 3 284.447 3.302 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)[C@@H](C)C2 ZINC000180095333 392707802 /nfs/dbraw/zinc/70/78/02/392707802.db2.gz WIORRIUXJWBBHJ-YZVOILCLSA-N 1 3 284.447 3.302 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3cccnc32)[C@@H]2CCC[C@H]21 ZINC000375894821 392837715 /nfs/dbraw/zinc/83/77/15/392837715.db2.gz GTOSTRXZCUESRH-OKZBNKHCSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3cccnc32)[C@@H]2CCC[C@H]21 ZINC000375894821 392837717 /nfs/dbraw/zinc/83/77/17/392837717.db2.gz GTOSTRXZCUESRH-OKZBNKHCSA-N 1 3 295.430 3.197 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCC[C@H](C)C2)CC[C@H]1N ZINC000647937018 392837822 /nfs/dbraw/zinc/83/78/22/392837822.db2.gz PRQRUDKNHAAGOJ-CAOSSQGBSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC[C@H]1N ZINC000647937018 392837824 /nfs/dbraw/zinc/83/78/24/392837824.db2.gz PRQRUDKNHAAGOJ-CAOSSQGBSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1CN(CC[C@@H]2CCC[C@H](C)C2)CC[C@H]1[NH3+] ZINC000647937018 392837827 /nfs/dbraw/zinc/83/78/27/392837827.db2.gz PRQRUDKNHAAGOJ-CAOSSQGBSA-N 1 3 252.446 3.262 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000647803209 392805328 /nfs/dbraw/zinc/80/53/28/392805328.db2.gz MSEJZBBKZLHRJZ-GOSISDBHSA-N 1 3 296.414 3.457 20 0 CGADHO CN(C)[C@H](CNc1[nH+]ccc2[nH]ccc21)c1ccc(F)cc1 ZINC000647857749 392815227 /nfs/dbraw/zinc/81/52/27/392815227.db2.gz JUTDWWLJHIYTDN-MRXNPFEDSA-N 1 3 298.365 3.417 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647889330 392826145 /nfs/dbraw/zinc/82/61/45/392826145.db2.gz HXYWCFRNLUMWBX-NJAFHUGGSA-N 1 3 272.436 3.172 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000514104927 542733885 /nfs/dbraw/zinc/73/38/85/542733885.db2.gz NLMUCZINTUOURC-ROUUACIJSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000340440630 392973267 /nfs/dbraw/zinc/97/32/67/392973267.db2.gz PVCBNEXYFHRPCC-NCXUSEDFSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000340440630 392973273 /nfs/dbraw/zinc/97/32/73/392973273.db2.gz PVCBNEXYFHRPCC-NCXUSEDFSA-N 1 3 284.447 3.397 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000545949845 393020041 /nfs/dbraw/zinc/02/00/41/393020041.db2.gz WVSCQRZMXKLXDG-CVEARBPZSA-N 1 3 250.430 3.197 20 0 CGADHO Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)c2ccccc2n1 ZINC000229601361 393022427 /nfs/dbraw/zinc/02/24/27/393022427.db2.gz NIGARJLACZKAAG-JSGCOSHPSA-N 1 3 255.365 3.096 20 0 CGADHO C[C@H](CCC[NH3+])NCc1csc(-c2ccsc2)n1 ZINC000415017099 393098320 /nfs/dbraw/zinc/09/83/20/393098320.db2.gz DORZOHSRGFIADS-SNVBAGLBSA-N 1 3 281.450 3.089 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1c(F)cccc1Cl ZINC000415017527 393098396 /nfs/dbraw/zinc/09/83/96/393098396.db2.gz SFVNAVWKHQPOAO-JTQLQIEISA-N 1 3 258.768 3.086 20 0 CGADHO Cc1cc(Br)c(CN[C@H](C)CCC[NH3+])s1 ZINC000415017801 393098759 /nfs/dbraw/zinc/09/87/59/393098759.db2.gz GDHAMKOCWWRPJJ-MRVPVSSYSA-N 1 3 291.258 3.036 20 0 CGADHO C[C@H]1CCC[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000467439983 393100400 /nfs/dbraw/zinc/10/04/00/393100400.db2.gz OZFHMKTVWMAYHA-UONOGXRCSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1ccc(-c2ccncc2)cc1F ZINC000415024605 393101382 /nfs/dbraw/zinc/10/13/82/393101382.db2.gz PGFQETIDZXORHO-ZDUSSCGKSA-N 1 3 287.382 3.105 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CCC[N@@H+](C)C1 ZINC000547316819 393104733 /nfs/dbraw/zinc/10/47/33/393104733.db2.gz XGVMOHQHWVRDBK-OAHLLOKOSA-N 1 3 283.419 3.027 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CCC[N@H+](C)C1 ZINC000547316819 393104741 /nfs/dbraw/zinc/10/47/41/393104741.db2.gz XGVMOHQHWVRDBK-OAHLLOKOSA-N 1 3 283.419 3.027 20 0 CGADHO CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C[C@@H]1OC ZINC000344098282 393037938 /nfs/dbraw/zinc/03/79/38/393037938.db2.gz JCLZAZZWNSLYLY-BBWFWOEESA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)CCO1 ZINC000648470634 393041708 /nfs/dbraw/zinc/04/17/08/393041708.db2.gz MQKXVLDUQLOQOG-HZPDHXFCSA-N 1 3 270.461 3.043 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CCC[C@@H]1C1CC1 ZINC000414184466 393042260 /nfs/dbraw/zinc/04/22/60/393042260.db2.gz FUUVJKXYVHILKC-WCXIOVBPSA-N 1 3 262.441 3.029 20 0 CGADHO C[C@H]1C[C@@H](CN2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748084 393054701 /nfs/dbraw/zinc/05/47/01/393054701.db2.gz VYHZZGIQXNABNF-STQMWFEESA-N 1 3 278.827 3.086 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+]CCCN1CCCC1)C2 ZINC000648495930 393068347 /nfs/dbraw/zinc/06/83/47/393068347.db2.gz UWKBTEGOPQBDEF-SFHVURJKSA-N 1 3 272.436 3.010 20 0 CGADHO Fc1c(Cl)cccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414963915 393068486 /nfs/dbraw/zinc/06/84/86/393068486.db2.gz DLCMFCGYEYAUFH-LBPRGKRZSA-N 1 3 270.779 3.101 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2cc(Cl)ccc2F)C1 ZINC000414989541 393080731 /nfs/dbraw/zinc/08/07/31/393080731.db2.gz HMESIWBAVYNQKS-GWCFXTLKSA-N 1 3 270.779 3.086 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415075773 393132414 /nfs/dbraw/zinc/13/24/14/393132414.db2.gz AEYPSWVNFAWLNP-HZPDHXFCSA-N 1 3 274.452 3.393 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC(C)(C)Cc1ccccc1 ZINC000415080256 393134359 /nfs/dbraw/zinc/13/43/59/393134359.db2.gz JCRQAIMAFDKMGR-WBVHZDCISA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000415080463 393134713 /nfs/dbraw/zinc/13/47/13/393134713.db2.gz LPXSBHCIDFZHBJ-JHJVBQTASA-N 1 3 295.496 3.479 20 0 CGADHO CCC[C@H](NCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000415110110 393147355 /nfs/dbraw/zinc/14/73/55/393147355.db2.gz QAHRUONCYCAWSA-ZDUSSCGKSA-N 1 3 274.330 3.485 20 0 CGADHO CCCc1cccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415127369 393153721 /nfs/dbraw/zinc/15/37/21/393153721.db2.gz MUUKQKLDFFRNAR-RHSMWYFYSA-N 1 3 260.425 3.056 20 0 CGADHO C[C@H]1CC[N@H+](CCCCCOc2ccccc2)C[C@@H]1CN ZINC000415128895 393154209 /nfs/dbraw/zinc/15/42/09/393154209.db2.gz OPTDYKBMQPFFRF-IRXDYDNUSA-N 1 3 290.451 3.152 20 0 CGADHO C[C@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@@H]1CN ZINC000415128895 393154214 /nfs/dbraw/zinc/15/42/14/393154214.db2.gz OPTDYKBMQPFFRF-IRXDYDNUSA-N 1 3 290.451 3.152 20 0 CGADHO C[C@H]1CCN(CCCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000415128895 393154220 /nfs/dbraw/zinc/15/42/20/393154220.db2.gz OPTDYKBMQPFFRF-IRXDYDNUSA-N 1 3 290.451 3.152 20 0 CGADHO CC[N@@H+]1CC[C@H](NCC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000470256907 393234794 /nfs/dbraw/zinc/23/47/94/393234794.db2.gz INAQTIPNIUTHNM-WBVHZDCISA-N 1 3 290.451 3.164 20 0 CGADHO CC[N@H+]1CC[C@H](NCC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000470256907 393234798 /nfs/dbraw/zinc/23/47/98/393234798.db2.gz INAQTIPNIUTHNM-WBVHZDCISA-N 1 3 290.451 3.164 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000647230278 393400460 /nfs/dbraw/zinc/40/04/60/393400460.db2.gz SSXCQMKPBNBIBT-VSZNYVQBSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000647230278 393400463 /nfs/dbraw/zinc/40/04/63/393400463.db2.gz SSXCQMKPBNBIBT-VSZNYVQBSA-N 1 3 270.420 3.007 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@@H](C)C[NH+]1CCCC1 ZINC000481318185 393437430 /nfs/dbraw/zinc/43/74/30/393437430.db2.gz GBDHJNYMCHCBDY-KDOFPFPSSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)CN1CCCC1 ZINC000481318185 393437432 /nfs/dbraw/zinc/43/74/32/393437432.db2.gz GBDHJNYMCHCBDY-KDOFPFPSSA-N 1 3 272.436 3.304 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)CCCCC(F)(F)F ZINC000420287522 393450390 /nfs/dbraw/zinc/45/03/90/393450390.db2.gz HYWIVRJKBTURKY-NSHDSACASA-N 1 3 254.340 3.024 20 0 CGADHO Cc1ccccc1CCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399741 393482585 /nfs/dbraw/zinc/48/25/85/393482585.db2.gz OGJNJTRRFHLACN-OALUTQOASA-N 1 3 286.463 3.392 20 0 CGADHO Fc1ccc(Cl)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333387 393470808 /nfs/dbraw/zinc/47/08/08/393470808.db2.gz SSZKSGQWRDTVGW-OLZOCXBDSA-N 1 3 296.817 3.301 20 0 CGADHO CCCC[N@H+](C)CCNc1cc(C)nc2ccccc21 ZINC000488258185 393474786 /nfs/dbraw/zinc/47/47/86/393474786.db2.gz RWHBSNTWGXGBJK-UHFFFAOYSA-N 1 3 271.408 3.109 20 0 CGADHO CCCC[N@@H+](C)CCNc1cc(C)nc2ccccc21 ZINC000488258185 393474794 /nfs/dbraw/zinc/47/47/94/393474794.db2.gz RWHBSNTWGXGBJK-UHFFFAOYSA-N 1 3 271.408 3.109 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCCOc2ccccc2)CC1 ZINC000429553388 393477481 /nfs/dbraw/zinc/47/74/81/393477481.db2.gz NTEFBBQHVMOERM-KRWDZBQOSA-N 1 3 290.451 3.262 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCCOc2ccccc2)CC1 ZINC000429553388 393477492 /nfs/dbraw/zinc/47/74/92/393477492.db2.gz NTEFBBQHVMOERM-KRWDZBQOSA-N 1 3 290.451 3.262 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCCCOc2ccccc2)CC1 ZINC000429553388 393477501 /nfs/dbraw/zinc/47/75/01/393477501.db2.gz NTEFBBQHVMOERM-KRWDZBQOSA-N 1 3 290.451 3.262 20 0 CGADHO CC[C@H](C)C[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000647245009 393409759 /nfs/dbraw/zinc/40/97/59/393409759.db2.gz NAAABACEFFXGHL-RDJZCZTQSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@H](C)C[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000647245009 393409762 /nfs/dbraw/zinc/40/97/62/393409762.db2.gz NAAABACEFFXGHL-RDJZCZTQSA-N 1 3 296.499 3.170 20 0 CGADHO C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409981 393484951 /nfs/dbraw/zinc/48/49/51/393484951.db2.gz XUGYFRKEGOMESO-FUHWJXTLSA-N 1 3 294.483 3.190 20 0 CGADHO CC[C@@H]1C[C@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980350 393504615 /nfs/dbraw/zinc/50/46/15/393504615.db2.gz SQWVECWDNDYYIQ-FGTMMUONSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N3CCCC3)CC2)CCO1 ZINC000356980350 393504619 /nfs/dbraw/zinc/50/46/19/393504619.db2.gz SQWVECWDNDYYIQ-FGTMMUONSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N3CCCC3)CC2)CCO1 ZINC000356980350 393504626 /nfs/dbraw/zinc/50/46/26/393504626.db2.gz SQWVECWDNDYYIQ-FGTMMUONSA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)C1CC([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000488447743 393517203 /nfs/dbraw/zinc/51/72/03/393517203.db2.gz KMEANAOMVBLONI-FHERZECASA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCSC3)CC2)C1 ZINC000358172303 393520113 /nfs/dbraw/zinc/52/01/13/393520113.db2.gz ILGVVMRJKBPUSD-BMFZPTHFSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCSC3)CC2)C1 ZINC000358172303 393520117 /nfs/dbraw/zinc/52/01/17/393520117.db2.gz ILGVVMRJKBPUSD-BMFZPTHFSA-N 1 3 282.497 3.125 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488466541 393525023 /nfs/dbraw/zinc/52/50/23/393525023.db2.gz VXIZKMJKXVTFFP-KBPBESRZSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488466541 393525031 /nfs/dbraw/zinc/52/50/31/393525031.db2.gz VXIZKMJKXVTFFP-KBPBESRZSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488466541 393525038 /nfs/dbraw/zinc/52/50/38/393525038.db2.gz VXIZKMJKXVTFFP-KBPBESRZSA-N 1 3 272.502 3.227 20 0 CGADHO CC1=C[C@@H](C)CN(C/C=C/C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263372 393552986 /nfs/dbraw/zinc/55/29/86/393552986.db2.gz NSTQAQQZOLJZJF-XORFASSUSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@@H](C)CN(C/C=C/C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263372 393552988 /nfs/dbraw/zinc/55/29/88/393552988.db2.gz NSTQAQQZOLJZJF-XORFASSUSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@@H](C)C[N@@H+](C/C=C/CN2CC(C)=C[C@H](C)C2)C1 ZINC000430263372 393552992 /nfs/dbraw/zinc/55/29/92/393552992.db2.gz NSTQAQQZOLJZJF-XORFASSUSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@@H](C)C[N@H+](C/C=C/CN2CC(C)=C[C@H](C)C2)C1 ZINC000430263372 393552996 /nfs/dbraw/zinc/55/29/96/393552996.db2.gz NSTQAQQZOLJZJF-XORFASSUSA-N 1 3 274.452 3.339 20 0 CGADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cc2c(s1)CCC2 ZINC000360858438 393599952 /nfs/dbraw/zinc/59/99/52/393599952.db2.gz LPKAJJDLDHCNIK-RYUDHWBXSA-N 1 3 266.454 3.228 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738217 393640400 /nfs/dbraw/zinc/64/04/00/393640400.db2.gz ITMMZDHMMWYTLC-IINYFYTJSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1c(Cl)cccc1Cl ZINC000422738217 393640402 /nfs/dbraw/zinc/64/04/02/393640402.db2.gz ITMMZDHMMWYTLC-IINYFYTJSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1c(Cl)cccc1Cl ZINC000422882487 393645638 /nfs/dbraw/zinc/64/56/38/393645638.db2.gz SKTGHCPZCZACRJ-UWVGGRQHSA-N 1 3 287.234 3.294 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)c1c(Cl)cccc1Cl ZINC000422882487 393645641 /nfs/dbraw/zinc/64/56/41/393645641.db2.gz SKTGHCPZCZACRJ-UWVGGRQHSA-N 1 3 287.234 3.294 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423048255 393649213 /nfs/dbraw/zinc/64/92/13/393649213.db2.gz WJSRSORMOODETR-KJWYOANISA-N 1 3 288.435 3.315 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000423224462 393654975 /nfs/dbraw/zinc/65/49/75/393654975.db2.gz JHAZGCRPTVEBSL-NHYWBVRUSA-N 1 3 266.816 3.434 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423264866 393658059 /nfs/dbraw/zinc/65/80/59/393658059.db2.gz CJGKQCQFQHDXPS-BZUAXINKSA-N 1 3 260.425 3.142 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423282828 393658658 /nfs/dbraw/zinc/65/86/58/393658658.db2.gz WLINGDUVPAGBJG-XQQFMLRXSA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423282828 393658663 /nfs/dbraw/zinc/65/86/63/393658663.db2.gz WLINGDUVPAGBJG-XQQFMLRXSA-N 1 3 252.427 3.225 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423278020 393658760 /nfs/dbraw/zinc/65/87/60/393658760.db2.gz QJBSEIQZLSPCJP-ZIAGYGMSSA-N 1 3 297.240 3.009 20 0 CGADHO FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423398262 393665786 /nfs/dbraw/zinc/66/57/86/393665786.db2.gz UGRUBIFXUJLXAW-RHSMWYFYSA-N 1 3 276.399 3.298 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCOC3(C)C)CC2)C1 ZINC000449412152 393880378 /nfs/dbraw/zinc/88/03/78/393880378.db2.gz BLZJDGJKIXOTLL-OIISXLGYSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC3(C)C)CC2)C1 ZINC000449412152 393880381 /nfs/dbraw/zinc/88/03/81/393880381.db2.gz BLZJDGJKIXOTLL-OIISXLGYSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666993889 542832717 /nfs/dbraw/zinc/83/27/17/542832717.db2.gz QYINTDGANITHGP-QLFBSQMISA-N 1 3 250.430 3.077 20 0 CGADHO CCC1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995624 542834104 /nfs/dbraw/zinc/83/41/04/542834104.db2.gz UNXPVCFMBCCHLI-NRXISQOPSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764764 393944206 /nfs/dbraw/zinc/94/42/06/393944206.db2.gz DKSPGAWKLOCEAF-XAJHFOFHSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCCc1cccnc1)CN1CCCC1 ZINC000453055657 394154399 /nfs/dbraw/zinc/15/43/99/394154399.db2.gz CYJZKHLCOQHEGF-IRXDYDNUSA-N 1 3 289.467 3.114 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453109424 394174487 /nfs/dbraw/zinc/17/44/87/394174487.db2.gz PLHCNTPTSMCIRN-WMLDXEAASA-N 1 3 264.457 3.275 20 0 CGADHO C[N@H+](CCCCN[C@@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000453398256 394232910 /nfs/dbraw/zinc/23/29/10/394232910.db2.gz KKUOKMLRLJFEFI-MRXNPFEDSA-N 1 3 294.389 3.416 20 0 CGADHO C[N@@H+](CCCCN[C@@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000453398256 394232912 /nfs/dbraw/zinc/23/29/12/394232912.db2.gz KKUOKMLRLJFEFI-MRXNPFEDSA-N 1 3 294.389 3.416 20 0 CGADHO C[N@H+](CCCCNCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000453600268 394254365 /nfs/dbraw/zinc/25/43/65/394254365.db2.gz SGHYKIBQRJSKHH-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO C[N@@H+](CCCCNCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000453600268 394254369 /nfs/dbraw/zinc/25/43/69/394254369.db2.gz SGHYKIBQRJSKHH-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO CCc1cccc(F)c1CNCCCC[N@H+](C)C1CC1 ZINC000453603334 394255597 /nfs/dbraw/zinc/25/55/97/394255597.db2.gz XLYMWVGGGLEEST-UHFFFAOYSA-N 1 3 278.415 3.352 20 0 CGADHO CCc1cccc(F)c1CNCCCC[N@@H+](C)C1CC1 ZINC000453603334 394255602 /nfs/dbraw/zinc/25/56/02/394255602.db2.gz XLYMWVGGGLEEST-UHFFFAOYSA-N 1 3 278.415 3.352 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034782 289032626 /nfs/dbraw/zinc/03/26/26/289032626.db2.gz ACEZGDDTHNRLMI-MWDXBVQZSA-N 1 3 264.457 3.133 20 0 CGADHO CC1=C[C@H](C)C[C@H](CN2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668785435 543061301 /nfs/dbraw/zinc/06/13/01/543061301.db2.gz QCSLFQGFCNYTFE-RYQLBKOJSA-N 1 3 294.483 3.021 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)CCC1 ZINC000429372904 292123484 /nfs/dbraw/zinc/12/34/84/292123484.db2.gz OZFGFXVLRQEGQE-CYBMUJFWSA-N 1 3 282.472 3.233 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC2CCC1CC2 ZINC000392260348 397692808 /nfs/dbraw/zinc/69/28/08/397692808.db2.gz PSSNDIWDQFQIPL-LYSZQXJVSA-N 1 3 262.441 3.053 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCC1 ZINC000429432346 292124009 /nfs/dbraw/zinc/12/40/09/292124009.db2.gz UQMYXADJBPWGFB-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCC1 ZINC000429432350 292124030 /nfs/dbraw/zinc/12/40/30/292124030.db2.gz UQMYXADJBPWGFB-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCCOc2ccccc2)[C@H]1CCN ZINC000650711858 397899119 /nfs/dbraw/zinc/89/91/19/397899119.db2.gz GQSQEHVVZVTZLG-AEFFLSMTSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@H]1CCN ZINC000650711858 397899121 /nfs/dbraw/zinc/89/91/21/397899121.db2.gz GQSQEHVVZVTZLG-AEFFLSMTSA-N 1 3 290.451 3.295 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cc(C)sc1C ZINC000650719568 397901956 /nfs/dbraw/zinc/90/19/56/397901956.db2.gz UWSDZJIDFOOUQU-UHFFFAOYSA-N 1 3 274.433 3.374 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc2c(c1)COC2 ZINC000650758545 397910481 /nfs/dbraw/zinc/91/04/81/397910481.db2.gz RYQZCGYQIKJXFU-CQSZACIVSA-N 1 3 296.414 3.287 20 0 CGADHO c1c[nH]c([C@H](NCCC2CC[NH2+]CC2)C2CCCCC2)n1 ZINC000650761654 397912086 /nfs/dbraw/zinc/91/20/86/397912086.db2.gz GPRDJQANZBVXCQ-MRXNPFEDSA-N 1 3 290.455 3.010 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802998 296576282 /nfs/dbraw/zinc/57/62/82/296576282.db2.gz CFCCELBNPZLQNJ-RYSNWHEDSA-N 1 3 292.389 3.333 20 0 CGADHO CCC[C@H]([NH2+][C@H](C)C1CCN(C)CC1)c1ccccn1 ZINC000675815397 543367071 /nfs/dbraw/zinc/36/70/71/543367071.db2.gz BKYCZEWVKDPEHJ-PBHICJAKSA-N 1 3 275.440 3.243 20 0 CGADHO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000675723189 543357776 /nfs/dbraw/zinc/35/77/76/543357776.db2.gz ZDUYAYWUGTTXOR-LSDHHAIUSA-N 1 3 278.440 3.466 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000675894774 543371281 /nfs/dbraw/zinc/37/12/81/543371281.db2.gz ZAHWJZKUKKKPGP-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000675894774 543371283 /nfs/dbraw/zinc/37/12/83/543371283.db2.gz ZAHWJZKUKKKPGP-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](c1ccncc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000678047386 543479344 /nfs/dbraw/zinc/47/93/44/543479344.db2.gz SPWAGVHLOFMXIV-OAHLLOKOSA-N 1 3 275.440 3.196 20 0 CGADHO CC1CCC(C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC000678127288 543485961 /nfs/dbraw/zinc/48/59/61/543485961.db2.gz NXZDAKIOZAZIIC-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678139672 543487791 /nfs/dbraw/zinc/48/77/91/543487791.db2.gz BZONSHMWMCEQKF-SFHVURJKSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678139672 543487792 /nfs/dbraw/zinc/48/77/92/543487792.db2.gz BZONSHMWMCEQKF-SFHVURJKSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]([N@H+](C)Cc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000678154110 543488864 /nfs/dbraw/zinc/48/88/64/543488864.db2.gz ZIRUCPKPCWRPKG-OAHLLOKOSA-N 1 3 292.467 3.493 20 0 CGADHO C[C@@H]([N@@H+](C)Cc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000678154110 543488865 /nfs/dbraw/zinc/48/88/65/543488865.db2.gz ZIRUCPKPCWRPKG-OAHLLOKOSA-N 1 3 292.467 3.493 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(C2CCCC2)CC1 ZINC000678079034 543481612 /nfs/dbraw/zinc/48/16/12/543481612.db2.gz MSZWDMKWGVFQDX-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC(C2CCCC2)CC1 ZINC000678079034 543481615 /nfs/dbraw/zinc/48/16/15/543481615.db2.gz MSZWDMKWGVFQDX-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000678270559 543506678 /nfs/dbraw/zinc/50/66/78/543506678.db2.gz QIQBOMGKTJSWDM-HZPDHXFCSA-N 1 3 290.451 3.105 20 0 CGADHO C[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000678270559 543506679 /nfs/dbraw/zinc/50/66/79/543506679.db2.gz QIQBOMGKTJSWDM-HZPDHXFCSA-N 1 3 290.451 3.105 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422998778 286049021 /nfs/dbraw/zinc/04/90/21/286049021.db2.gz DHTLJSAQZIMSSH-YESZJQIVSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346849981 292213514 /nfs/dbraw/zinc/21/35/14/292213514.db2.gz HIOSRQXLPQAOPN-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346849981 292213515 /nfs/dbraw/zinc/21/35/15/292213515.db2.gz HIOSRQXLPQAOPN-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346849981 292213516 /nfs/dbraw/zinc/21/35/16/292213516.db2.gz HIOSRQXLPQAOPN-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC2(C)C)CC1 ZINC000679008621 543581522 /nfs/dbraw/zinc/58/15/22/543581522.db2.gz MHUKIKNJXPWGSZ-FVQBIDKESA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC000679008621 543581524 /nfs/dbraw/zinc/58/15/24/543581524.db2.gz MHUKIKNJXPWGSZ-FVQBIDKESA-N 1 3 264.457 3.418 20 0 CGADHO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415071164 292268066 /nfs/dbraw/zinc/26/80/66/292268066.db2.gz SIIRPGBMKZFWHB-MSOLQXFVSA-N 1 3 272.436 3.363 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ccc(F)cc1Cl ZINC000422754682 298399257 /nfs/dbraw/zinc/39/92/57/298399257.db2.gz JWQJAJQBQOJDJC-ZJUUUORDSA-N 1 3 258.768 3.257 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)CN1CCCCC1 ZINC000037997619 286889133 /nfs/dbraw/zinc/88/91/33/286889133.db2.gz HOVPFHFXYBYSJF-VQIMIIECSA-N 1 3 286.463 3.256 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000158655185 287022296 /nfs/dbraw/zinc/02/22/96/287022296.db2.gz NLFHQZOYDINTNX-MRXNPFEDSA-N 1 3 275.440 3.244 20 0 CGADHO CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000080426589 287065162 /nfs/dbraw/zinc/06/51/62/287065162.db2.gz SIJSBVZQEASVJA-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNCc2cc[nH]c2)cc1 ZINC000080773379 165161933 /nfs/dbraw/zinc/16/19/33/165161933.db2.gz YADUYSJBXSEJLF-UHFFFAOYSA-N 1 3 271.408 3.146 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000089143181 165199227 /nfs/dbraw/zinc/19/92/27/165199227.db2.gz YTOHVPHYKFYNIO-LNSITVRQSA-N 1 3 280.387 3.002 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(Br)c1 ZINC000089145646 165199564 /nfs/dbraw/zinc/19/95/64/165199564.db2.gz SQALSUWASHPJPR-TZMCWYRMSA-N 1 3 297.240 3.056 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000090076550 165224813 /nfs/dbraw/zinc/22/48/13/165224813.db2.gz MQXXVMKZBXEECA-RHSMWYFYSA-N 1 3 286.419 3.295 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000090076550 165224814 /nfs/dbraw/zinc/22/48/14/165224814.db2.gz MQXXVMKZBXEECA-RHSMWYFYSA-N 1 3 286.419 3.295 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1OC ZINC000093212240 165326376 /nfs/dbraw/zinc/32/63/76/165326376.db2.gz XTXYPMRJVLNZQI-YDHLFZDLSA-N 1 3 262.397 3.006 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000261590475 165820928 /nfs/dbraw/zinc/82/09/28/165820928.db2.gz XBWFNWGZDRMBAA-QLFBSQMISA-N 1 3 250.430 3.349 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000122567827 287210778 /nfs/dbraw/zinc/21/07/78/287210778.db2.gz UCKDRGMUYFAPAE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000122567827 287210780 /nfs/dbraw/zinc/21/07/80/287210780.db2.gz UCKDRGMUYFAPAE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCCC2CCCC2)C1 ZINC000122567827 287210781 /nfs/dbraw/zinc/21/07/81/287210781.db2.gz UCKDRGMUYFAPAE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCCC2CCCC2)C1 ZINC000122567827 287210782 /nfs/dbraw/zinc/21/07/82/287210782.db2.gz UCKDRGMUYFAPAE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000284377000 196042955 /nfs/dbraw/zinc/04/29/55/196042955.db2.gz OOIMKGNKPJFEFI-LJQANCHMSA-N 1 3 284.447 3.168 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)C1CC1 ZINC000125646290 287248334 /nfs/dbraw/zinc/24/83/34/287248334.db2.gz ZYPYHZYGGRORJB-ZBFHGGJFSA-N 1 3 252.446 3.133 20 0 CGADHO FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037408186 173183565 /nfs/dbraw/zinc/18/35/65/173183565.db2.gz BNPKCEAACWUZKH-LBPRGKRZSA-N 1 3 298.352 3.279 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000038041804 174042852 /nfs/dbraw/zinc/04/28/52/174042852.db2.gz RYHHSFLXUVGPAU-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO Fc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1Cl ZINC000043389759 175033595 /nfs/dbraw/zinc/03/35/95/175033595.db2.gz PQSNYQVKMYFIPT-LBPRGKRZSA-N 1 3 282.790 3.053 20 0 CGADHO C[C@@H](CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000402837944 416548437 /nfs/dbraw/zinc/54/84/37/416548437.db2.gz XWCWEUSCOTXYRY-SZMVWBNQSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H](CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000402837944 416548439 /nfs/dbraw/zinc/54/84/39/416548439.db2.gz XWCWEUSCOTXYRY-SZMVWBNQSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226540302 299000858 /nfs/dbraw/zinc/00/08/58/299000858.db2.gz IKAULIFSHFTQON-GVXVVHGQSA-N 1 3 286.341 3.436 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000429534119 287394917 /nfs/dbraw/zinc/39/49/17/287394917.db2.gz COZAXWGKFPFMLT-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000429534119 287394918 /nfs/dbraw/zinc/39/49/18/287394918.db2.gz COZAXWGKFPFMLT-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683769748 543939914 /nfs/dbraw/zinc/93/99/14/543939914.db2.gz ZVXWPKSWRYKTIT-QGZVFWFLSA-N 1 3 297.446 3.445 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc3cnccc3c2)CC1 ZINC000683841390 543948135 /nfs/dbraw/zinc/94/81/35/543948135.db2.gz OFYIKARZPCGLPX-SFHVURJKSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)CC1 ZINC000683841390 543948137 /nfs/dbraw/zinc/94/81/37/543948137.db2.gz OFYIKARZPCGLPX-SFHVURJKSA-N 1 3 283.419 3.151 20 0 CGADHO C[C@@H]1C[C@H](C)N1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411720 543996571 /nfs/dbraw/zinc/99/65/71/543996571.db2.gz MUONESCWXZKYFX-IYBDPMFKSA-N 1 3 288.435 3.144 20 0 CGADHO CC[C@H](OCCN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000652236374 418940351 /nfs/dbraw/zinc/94/03/51/418940351.db2.gz KOAOGHKQHLJWOB-NXHRZFHOSA-N 1 3 290.451 3.227 20 0 CGADHO CC[C@H](OCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000652236374 418940355 /nfs/dbraw/zinc/94/03/55/418940355.db2.gz KOAOGHKQHLJWOB-NXHRZFHOSA-N 1 3 290.451 3.227 20 0 CGADHO c1cnc2c(c1)CCC[C@@H]2NCC1CC[NH+](CC2CC2)CC1 ZINC000658354208 418948472 /nfs/dbraw/zinc/94/84/72/418948472.db2.gz XVUHXGAIQHLYLL-SFHVURJKSA-N 1 3 299.462 3.171 20 0 CGADHO CC(C)=CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659945206 419040926 /nfs/dbraw/zinc/04/09/26/419040926.db2.gz TYLTWXPWRZPUTD-INIZCTEOSA-N 1 3 250.430 3.293 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000659974678 419049508 /nfs/dbraw/zinc/04/95/08/419049508.db2.gz OVTAIOAEIPQSLW-ZFWWWQNUSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974678 419049512 /nfs/dbraw/zinc/04/95/12/419049512.db2.gz OVTAIOAEIPQSLW-ZFWWWQNUSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000659974678 419049518 /nfs/dbraw/zinc/04/95/18/419049518.db2.gz OVTAIOAEIPQSLW-ZFWWWQNUSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000659974678 419049520 /nfs/dbraw/zinc/04/95/20/419049520.db2.gz OVTAIOAEIPQSLW-ZFWWWQNUSA-N 1 3 288.426 3.332 20 0 CGADHO Clc1ccc(C[C@H]2CCC[C@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000665241481 419088829 /nfs/dbraw/zinc/08/88/29/419088829.db2.gz NYUJKGZBBQETQO-VNQPRFMTSA-N 1 3 278.827 3.003 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CCCC1 ZINC000665247522 419090867 /nfs/dbraw/zinc/09/08/67/419090867.db2.gz DMPSWURXJWCRFQ-OAHLLOKOSA-N 1 3 262.372 3.064 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275615 419099323 /nfs/dbraw/zinc/09/93/23/419099323.db2.gz NWTPDVFASDAMOT-BSDSXHPESA-N 1 3 294.483 3.092 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCc2ccc(Cl)cc21 ZINC000665280900 419100898 /nfs/dbraw/zinc/10/08/98/419100898.db2.gz OGKKGICERQXCDF-CABCVRRESA-N 1 3 266.816 3.290 20 0 CGADHO CC(C)c1nc([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)cs1 ZINC000655805894 419101158 /nfs/dbraw/zinc/10/11/58/419101158.db2.gz UJQWUASBFHVSNB-RWMBFGLXSA-N 1 3 281.469 3.257 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000665280485 419102190 /nfs/dbraw/zinc/10/21/90/419102190.db2.gz DAPIFCKTXOCBKH-CKEIUWERSA-N 1 3 278.440 3.150 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280485 419102194 /nfs/dbraw/zinc/10/21/94/419102194.db2.gz DAPIFCKTXOCBKH-CKEIUWERSA-N 1 3 278.440 3.150 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000665281471 419102701 /nfs/dbraw/zinc/10/27/01/419102701.db2.gz DOGCJYKCSLXAHR-BNEJOLLZSA-N 1 3 290.451 3.150 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281471 419102704 /nfs/dbraw/zinc/10/27/04/419102704.db2.gz DOGCJYKCSLXAHR-BNEJOLLZSA-N 1 3 290.451 3.150 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 ZINC000665281662 419102739 /nfs/dbraw/zinc/10/27/39/419102739.db2.gz JJVZXPSNUJGMEA-MSOLQXFVSA-N 1 3 274.452 3.279 20 0 CGADHO Cc1ccccc1C[C@H](NCC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000665281662 419102742 /nfs/dbraw/zinc/10/27/42/419102742.db2.gz JJVZXPSNUJGMEA-MSOLQXFVSA-N 1 3 274.452 3.279 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCC[C@@H]([NH3+])C(C)C ZINC000665281846 419103115 /nfs/dbraw/zinc/10/31/15/419103115.db2.gz LRBGCTPPRQUALO-IAGOWNOFSA-N 1 3 290.451 3.381 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CS1 ZINC000655682962 419063337 /nfs/dbraw/zinc/06/33/37/419063337.db2.gz OCNBQZNOINFZTP-RRFJBIMHSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000655682962 419063343 /nfs/dbraw/zinc/06/33/43/419063343.db2.gz OCNBQZNOINFZTP-RRFJBIMHSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000655682962 419063345 /nfs/dbraw/zinc/06/33/45/419063345.db2.gz OCNBQZNOINFZTP-RRFJBIMHSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660655545 419175962 /nfs/dbraw/zinc/17/59/62/419175962.db2.gz NATPAMWHOKAJDF-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660655545 419175965 /nfs/dbraw/zinc/17/59/65/419175965.db2.gz NATPAMWHOKAJDF-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO Cc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000656784736 419218074 /nfs/dbraw/zinc/21/80/74/419218074.db2.gz GRCKCSMVEXEEEG-KRWDZBQOSA-N 1 3 290.426 3.346 20 0 CGADHO c1cc(C[NH2+]C2CCNCC2)cc(C2CCCC2)c1 ZINC000656787056 419219477 /nfs/dbraw/zinc/21/94/77/419219477.db2.gz SICCPTBQCUFRSV-UHFFFAOYSA-N 1 3 258.409 3.186 20 0 CGADHO Cc1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)[nH]c2c1 ZINC000657482711 419290278 /nfs/dbraw/zinc/29/02/78/419290278.db2.gz FLWLCXOVKRNUKL-ZXFUBFMLSA-N 1 3 283.419 3.191 20 0 CGADHO C[NH+](C)C1CCC(NCc2ccc(F)c(F)c2F)CC1 ZINC000657494704 419293389 /nfs/dbraw/zinc/29/33/89/419293389.db2.gz QVJRGPCQKKKPAV-UHFFFAOYSA-N 1 3 286.341 3.066 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657716774 419332732 /nfs/dbraw/zinc/33/27/32/419332732.db2.gz STAJCDXOYOQIEU-BSDSXHPESA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657716774 419332734 /nfs/dbraw/zinc/33/27/34/419332734.db2.gz STAJCDXOYOQIEU-BSDSXHPESA-N 1 3 270.420 3.149 20 0 CGADHO C1C[C@H]2[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)[C@H]2C1 ZINC000657734809 419333185 /nfs/dbraw/zinc/33/31/85/419333185.db2.gz UXKCFMMSUWWGKK-FVQHAEBGSA-N 1 3 262.441 3.172 20 0 CGADHO C1C[C@H]2[C@H](NC3CC[NH+](C4CCCCC4)CC3)[C@H]2C1 ZINC000657734809 419333187 /nfs/dbraw/zinc/33/31/87/419333187.db2.gz UXKCFMMSUWWGKK-FVQHAEBGSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCC(F)CC1 ZINC000657742821 419335487 /nfs/dbraw/zinc/33/54/87/419335487.db2.gz AYLZFEQMWOYGDZ-NXSPZCGBSA-N 1 3 268.420 3.120 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657870638 419396873 /nfs/dbraw/zinc/39/68/73/419396873.db2.gz GHGKELKNSSTGSI-ZDUSSCGKSA-N 1 3 287.407 3.210 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662238744 419370830 /nfs/dbraw/zinc/37/08/30/419370830.db2.gz VIDFAPAUQYZERV-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662238744 419370833 /nfs/dbraw/zinc/37/08/33/419370833.db2.gz VIDFAPAUQYZERV-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)c1cccc(CN2CCC(OCCC[NH3+])CC2)c1 ZINC000662247683 419372523 /nfs/dbraw/zinc/37/25/23/419372523.db2.gz JJYUDHUPISEZDH-UHFFFAOYSA-N 1 3 290.451 3.140 20 0 CGADHO CN(CC[C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263768 419377017 /nfs/dbraw/zinc/37/70/17/419377017.db2.gz FBUFCZHHOHJQSX-XNHLSEOASA-N 1 3 284.447 3.321 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657838912 419380428 /nfs/dbraw/zinc/38/04/28/419380428.db2.gz HNDFFNGYFZXNCB-ZIAGYGMSSA-N 1 3 288.426 3.032 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839725 419381581 /nfs/dbraw/zinc/38/15/81/419381581.db2.gz DYWLWXJNQMVYNI-CQJMVSDSSA-N 1 3 262.441 3.028 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842731 419382707 /nfs/dbraw/zinc/38/27/07/419382707.db2.gz WYDUJECBQFFJFX-QWHCGFSZSA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842731 419382712 /nfs/dbraw/zinc/38/27/12/419382712.db2.gz WYDUJECBQFFJFX-QWHCGFSZSA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842731 419382718 /nfs/dbraw/zinc/38/27/18/419382718.db2.gz WYDUJECBQFFJFX-QWHCGFSZSA-N 1 3 289.448 3.289 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000662280476 419382877 /nfs/dbraw/zinc/38/28/77/419382877.db2.gz FBXBLRQNCAYHHK-GUYCJALGSA-N 1 3 258.409 3.001 20 0 CGADHO C[N@H+](CCCc1ccc(C(F)(F)F)cc1)CC(C)(C)N ZINC000662292216 419383977 /nfs/dbraw/zinc/38/39/77/419383977.db2.gz DRAGAAWHTXWCOM-UHFFFAOYSA-N 1 3 288.357 3.307 20 0 CGADHO C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CC(C)(C)N ZINC000662292216 419383984 /nfs/dbraw/zinc/38/39/84/419383984.db2.gz DRAGAAWHTXWCOM-UHFFFAOYSA-N 1 3 288.357 3.307 20 0 CGADHO CCC[C@@H](CC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468494 419621785 /nfs/dbraw/zinc/62/17/85/419621785.db2.gz LKRPYWWGXADJSQ-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469574 419624034 /nfs/dbraw/zinc/62/40/34/419624034.db2.gz QOICZZYTVUWZRB-SQWLQELKSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469528 419626132 /nfs/dbraw/zinc/62/61/32/419626132.db2.gz QCFMYRIELZWCEJ-YOEHRIQHSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469525 419626199 /nfs/dbraw/zinc/62/61/99/419626199.db2.gz QCFMYRIELZWCEJ-PBHICJAKSA-N 1 3 264.457 3.277 20 0 CGADHO CN(CCCc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000525783631 262232497 /nfs/dbraw/zinc/23/24/97/262232497.db2.gz BZKGKXLLYLKCBC-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO CN(CCCc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000525783631 262232499 /nfs/dbraw/zinc/23/24/99/262232499.db2.gz BZKGKXLLYLKCBC-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)ccc2c1 ZINC000319692951 262349564 /nfs/dbraw/zinc/34/95/64/262349564.db2.gz SOJGQQIRUVORKB-IFXJQAMLSA-N 1 3 298.430 3.278 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)ccc2c1 ZINC000319692951 262349565 /nfs/dbraw/zinc/34/95/65/262349565.db2.gz SOJGQQIRUVORKB-IFXJQAMLSA-N 1 3 298.430 3.278 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000085380349 270043606 /nfs/dbraw/zinc/04/36/06/270043606.db2.gz RTWYYCDHEAVSOU-KBPBESRZSA-N 1 3 282.472 3.089 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000085380349 270043608 /nfs/dbraw/zinc/04/36/08/270043608.db2.gz RTWYYCDHEAVSOU-KBPBESRZSA-N 1 3 282.472 3.089 20 0 CGADHO CC(C)O[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000185239534 270062074 /nfs/dbraw/zinc/06/20/74/270062074.db2.gz CDQQMBVXWRLHON-JKSUJKDBSA-N 1 3 296.499 3.431 20 0 CGADHO CCC(CC)C[N@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000192721149 270077561 /nfs/dbraw/zinc/07/75/61/270077561.db2.gz YEPIIKXNOANOOE-UHFFFAOYSA-N 1 3 297.531 3.161 20 0 CGADHO CCC(CC)C[N@@H+](CC)CCCN1CCN(C(C)C)CC1 ZINC000192721149 270077562 /nfs/dbraw/zinc/07/75/62/270077562.db2.gz YEPIIKXNOANOOE-UHFFFAOYSA-N 1 3 297.531 3.161 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000522623560 270106873 /nfs/dbraw/zinc/10/68/73/270106873.db2.gz XJUZWYAZGXWOLQ-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO CCC[N@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000522623560 270106874 /nfs/dbraw/zinc/10/68/74/270106874.db2.gz XJUZWYAZGXWOLQ-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000527730158 270132816 /nfs/dbraw/zinc/13/28/16/270132816.db2.gz RFKDTRDNLHDFHZ-OAGGEKHMSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527730158 270132817 /nfs/dbraw/zinc/13/28/17/270132817.db2.gz RFKDTRDNLHDFHZ-OAGGEKHMSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527730158 270132818 /nfs/dbraw/zinc/13/28/18/270132818.db2.gz RFKDTRDNLHDFHZ-OAGGEKHMSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527921235 270144354 /nfs/dbraw/zinc/14/43/54/270144354.db2.gz QNSZCTMHGQXQFW-MAUKXSAKSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527921235 270144355 /nfs/dbraw/zinc/14/43/55/270144355.db2.gz QNSZCTMHGQXQFW-MAUKXSAKSA-N 1 3 274.452 3.457 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1CC=CCC1 ZINC000530224714 270196530 /nfs/dbraw/zinc/19/65/30/270196530.db2.gz WWFASMZLSJGLNI-ZFWWWQNUSA-N 1 3 273.424 3.246 20 0 CGADHO Cc1cc(CNC2CC[NH+](C)CC2)cc(C)c1OC(F)F ZINC000072726298 533687575 /nfs/dbraw/zinc/68/75/75/533687575.db2.gz LGTQMBINFXLBNV-UHFFFAOYSA-N 1 3 298.377 3.089 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC[C@H]2CC=CCC2)c2ccccc21 ZINC000530218187 270196132 /nfs/dbraw/zinc/19/61/32/270196132.db2.gz KHMOXJANGZCVEW-IAOVAPTHSA-N 1 3 256.393 3.467 20 0 CGADHO CC(C)CCn1cccc1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000531390145 270206225 /nfs/dbraw/zinc/20/62/25/270206225.db2.gz XNXKFZYBVWWMJE-IAGOWNOFSA-N 1 3 291.483 3.497 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531438229 270206878 /nfs/dbraw/zinc/20/68/78/270206878.db2.gz AGMNMMUFYFRGLL-XMTFNYHQSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000531694850 270208733 /nfs/dbraw/zinc/20/87/33/270208733.db2.gz UTRSIJLZQJBVRY-WBVHZDCISA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000532214879 270214408 /nfs/dbraw/zinc/21/44/08/270214408.db2.gz VSLOADCTNBYXPP-HZPDHXFCSA-N 1 3 292.467 3.194 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000070112251 287706222 /nfs/dbraw/zinc/70/62/22/287706222.db2.gz HVFZADSZKFZIRP-IIDMSEBBSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@@H]1CCCCN1 ZINC000422827965 274249430 /nfs/dbraw/zinc/24/94/30/274249430.db2.gz AHFYZOZGYMNODQ-COXVUDFISA-N 1 3 290.476 3.137 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262398160 275068945 /nfs/dbraw/zinc/06/89/45/275068945.db2.gz CBEQWANIPUGVLW-LSDHHAIUSA-N 1 3 290.410 3.298 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649039 275069506 /nfs/dbraw/zinc/06/95/06/275069506.db2.gz UJNXZQAVWSXVMR-KSSFIOAISA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649039 275069507 /nfs/dbraw/zinc/06/95/07/275069507.db2.gz UJNXZQAVWSXVMR-KSSFIOAISA-N 1 3 270.420 3.138 20 0 CGADHO CC(C)[C@H]1CC[N@@H+](CCCN2CC[C@@H](C(C)C)C2)C1 ZINC000489250992 276027916 /nfs/dbraw/zinc/02/79/16/276027916.db2.gz CZOHTYIWCJOXEX-CALCHBBNSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)[C@H]1CC[N@H+](CCCN2CC[C@@H](C(C)C)C2)C1 ZINC000489250992 276027917 /nfs/dbraw/zinc/02/79/17/276027917.db2.gz CZOHTYIWCJOXEX-CALCHBBNSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)[C@H]1CCN(CCC[N@@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250992 276027918 /nfs/dbraw/zinc/02/79/18/276027918.db2.gz CZOHTYIWCJOXEX-CALCHBBNSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)[C@H]1CCN(CCC[N@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250992 276027919 /nfs/dbraw/zinc/02/79/19/276027919.db2.gz CZOHTYIWCJOXEX-CALCHBBNSA-N 1 3 266.473 3.332 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316676 276074704 /nfs/dbraw/zinc/07/47/04/276074704.db2.gz RPOUDGRFPKORLR-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316676 276074705 /nfs/dbraw/zinc/07/47/05/276074705.db2.gz RPOUDGRFPKORLR-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316676 276074706 /nfs/dbraw/zinc/07/47/06/276074706.db2.gz RPOUDGRFPKORLR-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316676 276074708 /nfs/dbraw/zinc/07/47/08/276074708.db2.gz RPOUDGRFPKORLR-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000135610108 276097436 /nfs/dbraw/zinc/09/74/36/276097436.db2.gz ZRSPQWFVXHHCGB-DLBZAZTESA-N 1 3 260.425 3.112 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000271706317 276151806 /nfs/dbraw/zinc/15/18/06/276151806.db2.gz NMSHYAARQVGOAQ-CXAGYDPISA-N 1 3 258.409 3.309 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056596 276221864 /nfs/dbraw/zinc/22/18/64/276221864.db2.gz QKOQUINOHAKEMN-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056596 276221865 /nfs/dbraw/zinc/22/18/65/276221865.db2.gz QKOQUINOHAKEMN-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056596 276221866 /nfs/dbraw/zinc/22/18/66/276221866.db2.gz QKOQUINOHAKEMN-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO CCN(C/C=C\c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435378905 276310103 /nfs/dbraw/zinc/31/01/03/276310103.db2.gz ACPYKQMQSGPJGU-CHYADLBTSA-N 1 3 276.399 3.303 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000429798638 276399110 /nfs/dbraw/zinc/39/91/10/276399110.db2.gz JVCRQPBCGVRUQW-XWTMOSNGSA-N 1 3 296.499 3.244 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000429798638 276399111 /nfs/dbraw/zinc/39/91/11/276399111.db2.gz JVCRQPBCGVRUQW-XWTMOSNGSA-N 1 3 296.499 3.244 20 0 CGADHO C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1CCCNC1 ZINC000423218456 276813370 /nfs/dbraw/zinc/81/33/70/276813370.db2.gz VOGKSOPXQTYZDI-HNNXBMFYSA-N 1 3 264.457 3.469 20 0 CGADHO C[NH2+]CCCN[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414861373 277022828 /nfs/dbraw/zinc/02/28/28/277022828.db2.gz SCYGQSLHJCUAOC-JTQLQIEISA-N 1 3 275.223 3.124 20 0 CGADHO CNCCC[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414861373 277022830 /nfs/dbraw/zinc/02/28/30/277022830.db2.gz SCYGQSLHJCUAOC-JTQLQIEISA-N 1 3 275.223 3.124 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434494373 277077363 /nfs/dbraw/zinc/07/73/63/277077363.db2.gz XQAUANAOYLNVNQ-KRWDZBQOSA-N 1 3 290.426 3.432 20 0 CGADHO CC(C)(C)[NH+]1CCC(N2CCC[C@]3(CCSC3)C2)CC1 ZINC000334668405 277149336 /nfs/dbraw/zinc/14/93/36/277149336.db2.gz GKGZSOWFLWEHAX-KRWDZBQOSA-N 1 3 296.524 3.468 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000423281885 277282676 /nfs/dbraw/zinc/28/26/76/277282676.db2.gz VWCVEAZBBQUTRY-DOTOQJQBSA-N 1 3 262.441 3.007 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336731966 277390211 /nfs/dbraw/zinc/39/02/11/277390211.db2.gz RSHUUMYUUVQPJJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000336731966 277390212 /nfs/dbraw/zinc/39/02/12/277390212.db2.gz RSHUUMYUUVQPJJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000336731966 277390213 /nfs/dbraw/zinc/39/02/13/277390213.db2.gz RSHUUMYUUVQPJJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCOCC1 ZINC000363781761 277615685 /nfs/dbraw/zinc/61/56/85/277615685.db2.gz JKXBMVBYNINDEG-OAHLLOKOSA-N 1 3 294.483 3.046 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394536412 288002441 /nfs/dbraw/zinc/00/24/41/288002441.db2.gz OTNDMKCJPJYAGN-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCCC2)c2ccccc21 ZINC000423184994 278025303 /nfs/dbraw/zinc/02/53/03/278025303.db2.gz UKJBIAFHEYILKM-CJNGLKHVSA-N 1 3 258.409 3.486 20 0 CGADHO C[C@@H](CCN[C@H]1COC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000396853014 288017165 /nfs/dbraw/zinc/01/71/65/288017165.db2.gz NCZOOKVBLLKSCR-DOTOQJQBSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@@H](CCN[C@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853014 288017169 /nfs/dbraw/zinc/01/71/69/288017169.db2.gz NCZOOKVBLLKSCR-DOTOQJQBSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000423090601 278227349 /nfs/dbraw/zinc/22/73/49/278227349.db2.gz VTLNEXOVAHABHB-IUCAKERBSA-N 1 3 295.374 3.330 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H](C)C1CCCCC1 ZINC000423207811 278261782 /nfs/dbraw/zinc/26/17/82/278261782.db2.gz HHDNHQXSZCOTQZ-QLFBSQMISA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000261565661 278271477 /nfs/dbraw/zinc/27/14/77/278271477.db2.gz HWSRYLJKNLQLLD-YJNKXOJESA-N 1 3 250.430 3.075 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194021521 278782237 /nfs/dbraw/zinc/78/22/37/278782237.db2.gz SAOXLVGIBXIZBX-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000423393439 278973129 /nfs/dbraw/zinc/97/31/29/278973129.db2.gz MFSAQPUKAKYWCA-YVSFHVDLSA-N 1 3 287.451 3.004 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358391619 279014209 /nfs/dbraw/zinc/01/42/09/279014209.db2.gz FEDJLCDZROIRDF-GADXADSLSA-N 1 3 276.399 3.131 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358391619 279014210 /nfs/dbraw/zinc/01/42/10/279014210.db2.gz FEDJLCDZROIRDF-GADXADSLSA-N 1 3 276.399 3.131 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423053031 279274405 /nfs/dbraw/zinc/27/44/05/279274405.db2.gz RVDYSJUUSMFZTA-WMLDXEAASA-N 1 3 286.419 3.391 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000093405364 279464407 /nfs/dbraw/zinc/46/44/07/279464407.db2.gz RUQYXHPNCGTLAW-LBPRGKRZSA-N 1 3 293.480 3.014 20 0 CGADHO C[C@H](N[C@H]1CCCc2cc(F)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423025075 279538427 /nfs/dbraw/zinc/53/84/27/279538427.db2.gz NKHVGPWISDOSEY-JDFRZJQESA-N 1 3 276.399 3.181 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C[C@H](C)O1 ZINC000337996593 288160779 /nfs/dbraw/zinc/16/07/79/288160779.db2.gz KQESNHVQOPUXME-CYGHRXIMSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000414775949 280173882 /nfs/dbraw/zinc/17/38/82/280173882.db2.gz WHWWLILXAHWVOE-FPAYPSAMSA-N 1 3 284.447 3.038 20 0 CGADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000449103116 280186281 /nfs/dbraw/zinc/18/62/81/280186281.db2.gz OPOJUVMXSQWYDO-SOLBZPMBSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@H](NCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423348419 280324629 /nfs/dbraw/zinc/32/46/29/280324629.db2.gz TTXQPRWSLKVKMS-INIZCTEOSA-N 1 3 280.362 3.171 20 0 CGADHO CC(C)[C@H](NCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423186567 280325447 /nfs/dbraw/zinc/32/54/47/280325447.db2.gz KKRNSGBVHIJPOF-ZDUSSCGKSA-N 1 3 274.330 3.341 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)CN1CCCCC1 ZINC000529532850 288258936 /nfs/dbraw/zinc/25/89/36/288258936.db2.gz PLXIFKFVPXRSPI-STQMWFEESA-N 1 3 274.399 3.132 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)CCC2 ZINC000425943391 281118238 /nfs/dbraw/zinc/11/82/38/281118238.db2.gz IQXLYZWNSAEVGH-RHSMWYFYSA-N 1 3 260.425 3.160 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH+](C)C)CCC2 ZINC000425943391 281118240 /nfs/dbraw/zinc/11/82/40/281118240.db2.gz IQXLYZWNSAEVGH-RHSMWYFYSA-N 1 3 260.425 3.160 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211654 288300551 /nfs/dbraw/zinc/30/05/51/288300551.db2.gz PHPUAFFPXXHVGU-GJZGRUSLSA-N 1 3 272.417 3.385 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530178403 288295411 /nfs/dbraw/zinc/29/54/11/288295411.db2.gz KZXDTKJGBNUIHB-ULQDDVLXSA-N 1 3 288.410 3.336 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530179749 288296231 /nfs/dbraw/zinc/29/62/31/288296231.db2.gz WQMQNKYZMZKDOW-KSZLIROESA-N 1 3 284.447 3.272 20 0 CGADHO CCc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000530547496 288309365 /nfs/dbraw/zinc/30/93/65/288309365.db2.gz DHZSOVAZPBUZIG-CYBMUJFWSA-N 1 3 280.843 3.334 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000443428442 281306902 /nfs/dbraw/zinc/30/69/02/281306902.db2.gz ONWJDWYEDVAEHZ-JKSUJKDBSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000443428442 281306904 /nfs/dbraw/zinc/30/69/04/281306904.db2.gz ONWJDWYEDVAEHZ-JKSUJKDBSA-N 1 3 295.430 3.312 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC(C)(C)c2ccccc21 ZINC000423392177 288323515 /nfs/dbraw/zinc/32/35/15/288323515.db2.gz LGWLVUUQEWTIGY-COXVUDFISA-N 1 3 272.436 3.387 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423392177 288323518 /nfs/dbraw/zinc/32/35/18/288323518.db2.gz LGWLVUUQEWTIGY-COXVUDFISA-N 1 3 272.436 3.387 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CCOCC1 ZINC000544373249 288843716 /nfs/dbraw/zinc/84/37/16/288843716.db2.gz LFASDIHNWPXOKD-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@@H](Cc2ccccc2)C1 ZINC000549139110 289035826 /nfs/dbraw/zinc/03/58/26/289035826.db2.gz QOQPYPQJQUELOC-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000549139110 289035827 /nfs/dbraw/zinc/03/58/27/289035827.db2.gz QOQPYPQJQUELOC-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000549139110 289035828 /nfs/dbraw/zinc/03/58/28/289035828.db2.gz QOQPYPQJQUELOC-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCc1nc2ccccc2c(N2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000549176755 289036929 /nfs/dbraw/zinc/03/69/29/289036929.db2.gz MJSVQSHBYSSDJH-HNNXBMFYSA-N 1 3 297.446 3.494 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000549550361 289046398 /nfs/dbraw/zinc/04/63/98/289046398.db2.gz GZBCSFFYIAJYDP-FYXHJSOBSA-N 1 3 272.436 3.410 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000549550361 289046401 /nfs/dbraw/zinc/04/64/01/289046401.db2.gz GZBCSFFYIAJYDP-FYXHJSOBSA-N 1 3 272.436 3.410 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866499 289057886 /nfs/dbraw/zinc/05/78/86/289057886.db2.gz ZZVCAQCUBGIFEN-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866499 289057887 /nfs/dbraw/zinc/05/78/87/289057887.db2.gz ZZVCAQCUBGIFEN-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000551264150 289105927 /nfs/dbraw/zinc/10/59/27/289105927.db2.gz ICTUEXHCLBTTGE-YCPHGPKFSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000551264150 289105928 /nfs/dbraw/zinc/10/59/28/289105928.db2.gz ICTUEXHCLBTTGE-YCPHGPKFSA-N 1 3 270.436 3.367 20 0 CGADHO CC(C)C[C@H](C)[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000552560258 289192706 /nfs/dbraw/zinc/19/27/06/289192706.db2.gz QLTBUGDBTJRZJB-ULQDDVLXSA-N 1 3 296.499 3.242 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449409953 289465342 /nfs/dbraw/zinc/46/53/42/289465342.db2.gz WTSHQJWAROBIDT-SOLBZPMBSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CCC(F)(F)CC1 ZINC000423285516 290004871 /nfs/dbraw/zinc/00/48/71/290004871.db2.gz YLXRJYHHDHQZFM-IACUBPJLSA-N 1 3 274.399 3.308 20 0 CGADHO C[C@H]([NH2+][C@H]1[C@@H](C)NCC[C@@H]1C)c1cccc(Cl)c1 ZINC000420376169 290061785 /nfs/dbraw/zinc/06/17/85/290061785.db2.gz UUNQTBSFZCLTKI-UUIJZJDISA-N 1 3 266.816 3.377 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](c1ccco1)c1ccccc1 ZINC000312477986 298392905 /nfs/dbraw/zinc/39/29/05/298392905.db2.gz YCVARVSANBLZQB-PBHICJAKSA-N 1 3 272.392 3.476 20 0 CGADHO Cc1c2ccccc2oc1[C@H](NCCC[NH3+])C(C)C ZINC000420419299 301021591 /nfs/dbraw/zinc/02/15/91/301021591.db2.gz XNIVEGIWSZCVLZ-OAHLLOKOSA-N 1 3 260.381 3.377 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)c1F ZINC000423401426 301419134 /nfs/dbraw/zinc/41/91/34/301419134.db2.gz WCVXIECTEGLSMZ-NWANDNLSSA-N 1 3 264.388 3.363 20 0 CGADHO FC1(F)CCC[C@H](CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000420396614 303126209 /nfs/dbraw/zinc/12/62/09/303126209.db2.gz LZKDDFQKURUONY-ZNMIVQPWSA-N 1 3 286.410 3.276 20 0 CGADHO CCCCOc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000563232149 321985151 /nfs/dbraw/zinc/98/51/51/321985151.db2.gz UEJDIYJIRLACCX-UHFFFAOYSA-N 1 3 290.451 3.426 20 0 CGADHO CCCCOc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000563716199 322007762 /nfs/dbraw/zinc/00/77/62/322007762.db2.gz PVIAPKVCNMNXBS-KBPBESRZSA-N 1 3 294.439 3.090 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000564543224 322033859 /nfs/dbraw/zinc/03/38/59/322033859.db2.gz YWYFZNFQUQUTHQ-OAHLLOKOSA-N 1 3 289.467 3.170 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000565512816 322080377 /nfs/dbraw/zinc/08/03/77/322080377.db2.gz OYUBRJDBLSRIIZ-BHYGNILZSA-N 1 3 264.457 3.395 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000565742389 322089587 /nfs/dbraw/zinc/08/95/87/322089587.db2.gz BKJQJHFMPDWSKM-NEWSRXKRSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000565742389 322089588 /nfs/dbraw/zinc/08/95/88/322089588.db2.gz BKJQJHFMPDWSKM-NEWSRXKRSA-N 1 3 286.463 3.281 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000565783525 322091159 /nfs/dbraw/zinc/09/11/59/322091159.db2.gz BFKCTGRDVLKRLX-SJORKVTESA-N 1 3 290.451 3.268 20 0 CGADHO CCCCOc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000565783525 322091162 /nfs/dbraw/zinc/09/11/62/322091162.db2.gz BFKCTGRDVLKRLX-SJORKVTESA-N 1 3 290.451 3.268 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000566245350 322111340 /nfs/dbraw/zinc/11/13/40/322111340.db2.gz OAAYJYUGQZSOEZ-LJQANCHMSA-N 1 3 296.414 3.321 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)COC2 ZINC000567111631 322150663 /nfs/dbraw/zinc/15/06/63/322150663.db2.gz QPQOHDOQQVBFCL-ZDUSSCGKSA-N 1 3 282.387 3.026 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000567236006 322155340 /nfs/dbraw/zinc/15/53/40/322155340.db2.gz AODPOLXMIQPPAI-XIKOKIGWSA-N 1 3 284.378 3.308 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000567647651 322172157 /nfs/dbraw/zinc/17/21/57/322172157.db2.gz FGNFFRRWSAXKHI-OAHLLOKOSA-N 1 3 295.430 3.275 20 0 CGADHO Cc1cc(C)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000568761770 322221818 /nfs/dbraw/zinc/22/18/18/322221818.db2.gz IBCOSPITQMCMFY-GOSISDBHSA-N 1 3 272.436 3.187 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCCNC3)c(C)c1 ZINC000568761770 322221820 /nfs/dbraw/zinc/22/18/20/322221820.db2.gz IBCOSPITQMCMFY-GOSISDBHSA-N 1 3 272.436 3.187 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCCNC3)c(C)c1 ZINC000568761770 322221821 /nfs/dbraw/zinc/22/18/21/322221821.db2.gz IBCOSPITQMCMFY-GOSISDBHSA-N 1 3 272.436 3.187 20 0 CGADHO C(CC1CCCC1)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927654 322260740 /nfs/dbraw/zinc/26/07/40/322260740.db2.gz FLNCXTAFVGSSCE-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO C(CC1CCCC1)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000569927654 322260742 /nfs/dbraw/zinc/26/07/42/322260742.db2.gz FLNCXTAFVGSSCE-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO C(CC1CCCC1)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000569927654 322260743 /nfs/dbraw/zinc/26/07/43/322260743.db2.gz FLNCXTAFVGSSCE-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO Cc1cccc(C)c1CN1CC2CCC1(C[NH3+])CC2 ZINC000569941827 322261436 /nfs/dbraw/zinc/26/14/36/322261436.db2.gz UUHZXWBZYMBIOX-UHFFFAOYSA-N 1 3 258.409 3.007 20 0 CGADHO C[NH+](C)CC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000570128090 322265339 /nfs/dbraw/zinc/26/53/39/322265339.db2.gz UQTQNWFNXUSRBI-ARJAWSKDSA-N 1 3 294.389 3.252 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000570856963 322283912 /nfs/dbraw/zinc/28/39/12/322283912.db2.gz LMNPURFHHIDCRL-HOCLYGCPSA-N 1 3 280.481 3.389 20 0 CGADHO CC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000571733450 322306447 /nfs/dbraw/zinc/30/64/47/322306447.db2.gz WYXORUGQAIIBQX-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000572272381 322328690 /nfs/dbraw/zinc/32/86/90/322328690.db2.gz LKEYNNZJCBKTRG-ZWKOTPCHSA-N 1 3 274.452 3.475 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000572272381 322328693 /nfs/dbraw/zinc/32/86/93/322328693.db2.gz LKEYNNZJCBKTRG-ZWKOTPCHSA-N 1 3 274.452 3.475 20 0 CGADHO CCC[NH+]1CCC(CNCc2ccc(OC)cc2F)CC1 ZINC000584534566 329515967 /nfs/dbraw/zinc/51/59/67/329515967.db2.gz VXSXWFGICVPOCO-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC[NH2+]CCCN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000577274278 335333086 /nfs/dbraw/zinc/33/30/86/335333086.db2.gz XLWMOPQHEDCIGF-GRYCIOLGSA-N 1 3 286.872 3.483 20 0 CGADHO CCNCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000577274278 335333088 /nfs/dbraw/zinc/33/30/88/335333088.db2.gz XLWMOPQHEDCIGF-GRYCIOLGSA-N 1 3 286.872 3.483 20 0 CGADHO C1CC12CCC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000577530336 335365904 /nfs/dbraw/zinc/36/59/04/335365904.db2.gz GVDXVFMGTPOOCN-MRXNPFEDSA-N 1 3 262.441 3.316 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cccc3ccccc32)C1 ZINC000577768488 335399788 /nfs/dbraw/zinc/39/97/88/335399788.db2.gz FBNKIQITFFVSSB-DLBZAZTESA-N 1 3 268.404 3.242 20 0 CGADHO Cc1nn(C)cc1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000178144487 335419663 /nfs/dbraw/zinc/41/96/63/335419663.db2.gz QSLDAKXVDUHDAO-HNNXBMFYSA-N 1 3 292.471 3.035 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000579785994 335883101 /nfs/dbraw/zinc/88/31/01/335883101.db2.gz KSHUCUYVTQLGJN-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855842 336039599 /nfs/dbraw/zinc/03/95/99/336039599.db2.gz SSNKWZJCQDUXLN-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855842 336039601 /nfs/dbraw/zinc/03/96/01/336039601.db2.gz SSNKWZJCQDUXLN-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855842 336039602 /nfs/dbraw/zinc/03/96/02/336039602.db2.gz SSNKWZJCQDUXLN-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO Cc1cc(Cl)ccc1CNCc1ccc(C[NH3+])cc1 ZINC000581429622 336076035 /nfs/dbraw/zinc/07/60/35/336076035.db2.gz UEXNCZHOGHBFBC-UHFFFAOYSA-N 1 3 274.795 3.397 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+]C2CCCCCC2)cc1 ZINC000382180799 336084188 /nfs/dbraw/zinc/08/41/88/336084188.db2.gz BDLHOLAYDRKWPB-DLBZAZTESA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](NCC[NH2+]C(C)(C)C)[C@H]1CC2CCC1CC2 ZINC000382215574 336084629 /nfs/dbraw/zinc/08/46/29/336084629.db2.gz TVZHHPCBRMZFKU-VXGQWTEUSA-N 1 3 252.446 3.179 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516185 336092719 /nfs/dbraw/zinc/09/27/19/336092719.db2.gz ZYFDAUIMZWZZLY-DLBZAZTESA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3occc3c2)C1 ZINC000581516185 336092720 /nfs/dbraw/zinc/09/27/20/336092720.db2.gz ZYFDAUIMZWZZLY-DLBZAZTESA-N 1 3 284.403 3.349 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000383265997 336106621 /nfs/dbraw/zinc/10/66/21/336106621.db2.gz HPOVHRCXFHZWOB-BBWFWOEESA-N 1 3 272.436 3.357 20 0 CGADHO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)CN(C)C ZINC000383684559 336116513 /nfs/dbraw/zinc/11/65/13/336116513.db2.gz PNWCZOKPIQMPHM-JTQLQIEISA-N 1 3 275.223 3.281 20 0 CGADHO C[C@H](NCCC1=CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423570697 533840045 /nfs/dbraw/zinc/84/00/45/533840045.db2.gz WXRZIJPDSPYOEB-JTQLQIEISA-N 1 3 284.325 3.064 20 0 CGADHO C[C@H]([NH2+]CCCNC1CC1)C1CCC(C(F)(F)F)CC1 ZINC000423548071 533851991 /nfs/dbraw/zinc/85/19/91/533851991.db2.gz GPFQJPAMXMMUIS-HIFPTAJRSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000171709621 534059404 /nfs/dbraw/zinc/05/94/04/534059404.db2.gz JKGMINLZAJNUQS-UONOGXRCSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000171709621 534059405 /nfs/dbraw/zinc/05/94/05/534059405.db2.gz JKGMINLZAJNUQS-UONOGXRCSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000415067730 534187634 /nfs/dbraw/zinc/18/76/34/534187634.db2.gz LGQOXOZCHGKWPJ-MSOLQXFVSA-N 1 3 272.436 3.229 20 0 CGADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423533647 534189814 /nfs/dbraw/zinc/18/98/14/534189814.db2.gz YCNMPJKGHQLDSQ-CCTHRSOMSA-N 1 3 288.479 3.308 20 0 CGADHO CSc1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)s1 ZINC000356093873 534202833 /nfs/dbraw/zinc/20/28/33/534202833.db2.gz JKLAZXNKLJOGQF-LBPRGKRZSA-N 1 3 284.494 3.244 20 0 CGADHO CSc1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)s1 ZINC000356093873 534202840 /nfs/dbraw/zinc/20/28/40/534202840.db2.gz JKLAZXNKLJOGQF-LBPRGKRZSA-N 1 3 284.494 3.244 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)NCC[C@H]1CCC[NH2+]1 ZINC000423363698 534267287 /nfs/dbraw/zinc/26/72/87/534267287.db2.gz UXCJFPIIRPQRLL-DZGCQCFKSA-N 1 3 272.392 3.096 20 0 CGADHO c1cncc([C@@H](NCc2ccc3c(c2)C[NH2+]C3)C2CCC2)c1 ZINC000423396692 534509335 /nfs/dbraw/zinc/50/93/35/534509335.db2.gz SHWZQPHLOYVVSW-IBGZPJMESA-N 1 3 293.414 3.316 20 0 CGADHO Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000157427230 524750611 /nfs/dbraw/zinc/75/06/11/524750611.db2.gz RPHZRCGWZVPREX-QZTJIDSGSA-N 1 3 282.387 3.108 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423348244 534877831 /nfs/dbraw/zinc/87/78/31/534877831.db2.gz SLHZMPBGEJSQOM-LLVKDONJSA-N 1 3 279.453 3.145 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423401095 534879233 /nfs/dbraw/zinc/87/92/33/534879233.db2.gz VTYWOUXQVVXUMN-UHTWSYAYSA-N 1 3 281.469 3.495 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1F ZINC000422852814 527179133 /nfs/dbraw/zinc/17/91/33/527179133.db2.gz REIJAMSZBSHISB-BBRMVZONSA-N 1 3 278.415 3.210 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423287303 527258863 /nfs/dbraw/zinc/25/88/63/527258863.db2.gz LIRKAEUHSLOOQU-OCCSQVGLSA-N 1 3 266.816 3.303 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000368026073 527743197 /nfs/dbraw/zinc/74/31/97/527743197.db2.gz ZWFWKLRKMCTUCA-MKQDKFQKSA-N 1 3 294.389 3.142 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000423379928 527830710 /nfs/dbraw/zinc/83/07/10/527830710.db2.gz MIPJAZGXHCPTOB-FZKCQIBNSA-N 1 3 252.446 3.321 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424266875 528059882 /nfs/dbraw/zinc/05/98/82/528059882.db2.gz JPAWYFCZGROEPR-USTZCAOPSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)c1nc([C@H](C)NCC2(C)CC[NH2+]CC2)cs1 ZINC000423334137 528312913 /nfs/dbraw/zinc/31/29/13/528312913.db2.gz QOCAZXGFACKGSK-LBPRGKRZSA-N 1 3 281.469 3.307 20 0 CGADHO CCOc1ccc(Cl)cc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423346380 528475670 /nfs/dbraw/zinc/47/56/70/528475670.db2.gz OVJFJCKEXPABJP-LBPRGKRZSA-N 1 3 294.826 3.309 20 0 CGADHO CCOc1ccc([C@@H](CC)NC[C@H](C)C[NH3+])cc1OCC ZINC000423300374 528597964 /nfs/dbraw/zinc/59/79/64/528597964.db2.gz RLIYCTYVQDIBOR-UKRRQHHQSA-N 1 3 294.439 3.120 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCCC[C@@H]1CN)SC ZINC000232950406 528695536 /nfs/dbraw/zinc/69/55/36/528695536.db2.gz ZPZYWFBHZOFOCS-OLZOCXBDSA-N 1 3 258.475 3.015 20 0 CGADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423300618 529171765 /nfs/dbraw/zinc/17/17/65/529171765.db2.gz SBVGLEFIWNLTQN-GXFFZTMASA-N 1 3 285.229 3.085 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(Br)c1 ZINC000423315896 529173031 /nfs/dbraw/zinc/17/30/31/529173031.db2.gz JGEAOXAZZLCGMD-ZIAGYGMSSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@@H](NC[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235573 529178436 /nfs/dbraw/zinc/17/84/36/529178436.db2.gz GNIAERUBRGVGLJ-UONOGXRCSA-N 1 3 260.406 3.489 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423314415 529246691 /nfs/dbraw/zinc/24/66/91/529246691.db2.gz HCMZGORPXSZWRX-ABAIWWIYSA-N 1 3 264.438 3.187 20 0 CGADHO CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125327510 535041666 /nfs/dbraw/zinc/04/16/66/535041666.db2.gz LVUOIJLGPUVDOU-JQHSSLGASA-N 1 3 288.435 3.033 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cccc(C)c2C)CC1 ZINC000125233766 535460383 /nfs/dbraw/zinc/46/03/83/535460383.db2.gz ISWFFPBPRUEBLH-UHFFFAOYSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166329291 572813203 /nfs/dbraw/zinc/81/32/03/572813203.db2.gz VSSIZTMYRVSHOQ-QZTJIDSGSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166329291 572813208 /nfs/dbraw/zinc/81/32/08/572813208.db2.gz VSSIZTMYRVSHOQ-QZTJIDSGSA-N 1 3 272.436 3.062 20 0 CGADHO OCCCCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175759876 617684194 /nfs/dbraw/zinc/68/41/94/617684194.db2.gz ZZHFDROQRBWKKY-SFHVURJKSA-N 1 3 296.499 3.127 20 0 CGADHO C[C@H](NCCCCCC[NH3+])c1nc2c(s1)CCCC2 ZINC000843343257 617796038 /nfs/dbraw/zinc/79/60/38/617796038.db2.gz YKFZPFVFWAPTMW-LBPRGKRZSA-N 1 3 281.469 3.192 20 0 CGADHO CSCCCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000235163936 618711883 /nfs/dbraw/zinc/71/18/83/618711883.db2.gz UARYVZVYFKWOOT-KBPBESRZSA-N 1 3 258.475 3.017 20 0 CGADHO CCOc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000892584841 618868106 /nfs/dbraw/zinc/86/81/06/618868106.db2.gz OXJMKTJPHPWXHD-OAHLLOKOSA-N 1 3 294.439 3.423 20 0 CGADHO CCOc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000892584841 618868110 /nfs/dbraw/zinc/86/81/10/618868110.db2.gz OXJMKTJPHPWXHD-OAHLLOKOSA-N 1 3 294.439 3.423 20 0 CGADHO COc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000892589736 618868974 /nfs/dbraw/zinc/86/89/74/618868974.db2.gz OQXLLJKCXHOYBS-GJZGRUSLSA-N 1 3 294.439 3.136 20 0 CGADHO CCCSC[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000892944562 618959698 /nfs/dbraw/zinc/95/96/98/618959698.db2.gz RZQFYUHBPVMQHR-LSDHHAIUSA-N 1 3 272.502 3.228 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Br)cc1 ZINC000019905668 618974095 /nfs/dbraw/zinc/97/40/95/618974095.db2.gz ZWJHBIQYAHNRCH-UHFFFAOYSA-N 1 3 299.256 3.127 20 0 CGADHO Fc1ccccc1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925508915 619001872 /nfs/dbraw/zinc/00/18/72/619001872.db2.gz JVBHSQPRYSKNJJ-SJLPKXTDSA-N 1 3 290.426 3.126 20 0 CGADHO Fc1ccccc1CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925508915 619001874 /nfs/dbraw/zinc/00/18/74/619001874.db2.gz JVBHSQPRYSKNJJ-SJLPKXTDSA-N 1 3 290.426 3.126 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925639084 619100610 /nfs/dbraw/zinc/10/06/10/619100610.db2.gz JSLLIMOLYKYXFB-IAGOWNOFSA-N 1 3 284.403 3.143 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925639086 619100892 /nfs/dbraw/zinc/10/08/92/619100892.db2.gz JSLLIMOLYKYXFB-SJORKVTESA-N 1 3 284.403 3.143 20 0 CGADHO C[C@H]([NH2+]C(C)(C)CNC[C@H]1CCC=CO1)c1ccccc1 ZINC000194439762 619140015 /nfs/dbraw/zinc/14/00/15/619140015.db2.gz HIYXEVDEJUZVCD-DOTOQJQBSA-N 1 3 288.435 3.398 20 0 CGADHO [NH3+]CCC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000925732388 619206442 /nfs/dbraw/zinc/20/64/42/619206442.db2.gz GFXWTHGDSGKAKP-JHJVBQTASA-N 1 3 272.314 3.007 20 0 CGADHO CCSc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000925733439 619207752 /nfs/dbraw/zinc/20/77/52/619207752.db2.gz UOSQHGGEWTXVAG-HIFRSBDPSA-N 1 3 264.438 3.016 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925735517 619210137 /nfs/dbraw/zinc/21/01/37/619210137.db2.gz VFJPJGXGDVLOMR-YNEHKIRRSA-N 1 3 288.357 3.005 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925840342 619289688 /nfs/dbraw/zinc/28/96/88/619289688.db2.gz VEIZCMLTRYHJGM-DMRZNYOFSA-N 1 3 294.389 3.013 20 0 CGADHO C[C@@H](CC[NH+](C)C)NCc1cc2c(cccc2O)s1 ZINC000894210416 619424766 /nfs/dbraw/zinc/42/47/66/619424766.db2.gz BGENFEVBGVSCCK-NSHDSACASA-N 1 3 278.421 3.037 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261930333 619484112 /nfs/dbraw/zinc/48/41/12/619484112.db2.gz JMURKNBBXRXSAU-GDBMZVCRSA-N 1 3 298.430 3.408 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2ocnc2C)CC1 ZINC000894437065 619536268 /nfs/dbraw/zinc/53/62/68/619536268.db2.gz LVHGPWIBULFPRW-UHFFFAOYSA-N 1 3 293.455 3.317 20 0 CGADHO CSc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894780207 619633228 /nfs/dbraw/zinc/63/32/28/619633228.db2.gz ZTBYPUWSLOLVTO-AWEZNQCLSA-N 1 3 294.464 3.165 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)N(C)C ZINC000895290281 619797021 /nfs/dbraw/zinc/79/70/21/619797021.db2.gz FXRFYNGSPYEBJL-LSDHHAIUSA-N 1 3 287.451 3.419 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCC(C)(C)SC)CC1 ZINC000895822138 619890829 /nfs/dbraw/zinc/89/08/29/619890829.db2.gz KUCOWSNFCLBDNK-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO CCO[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902375488 621278965 /nfs/dbraw/zinc/27/89/65/621278965.db2.gz IAXRRQWYZVNASY-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2ccc3cccnc3c2)C1 ZINC000902395556 621303313 /nfs/dbraw/zinc/30/33/13/621303313.db2.gz GWJVLMKJDJMOBN-MRXNPFEDSA-N 1 3 283.419 3.103 20 0 CGADHO C[C@H](NCCC1CCC(F)(F)CC1)[C@H]1CCCC[NH2+]1 ZINC000902456405 621333458 /nfs/dbraw/zinc/33/34/58/621333458.db2.gz OQGONDPNASKHJA-GXTWGEPZSA-N 1 3 274.399 3.322 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000902516105 621359172 /nfs/dbraw/zinc/35/91/72/621359172.db2.gz BLAOVPSKWZCLMO-XHSDSOJGSA-N 1 3 278.827 3.057 20 0 CGADHO CC[C@H](CC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151520 621611491 /nfs/dbraw/zinc/61/14/91/621611491.db2.gz HEVJHDVKGBRILV-WDFAYWTNSA-N 1 3 290.373 3.465 20 0 CGADHO CC[C@H](CC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151520 621611495 /nfs/dbraw/zinc/61/14/95/621611495.db2.gz HEVJHDVKGBRILV-WDFAYWTNSA-N 1 3 290.373 3.465 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCCC(C)(F)F)C1 ZINC000903476098 621763987 /nfs/dbraw/zinc/76/39/87/621763987.db2.gz NMAYAVDGNQQWDU-AWEZNQCLSA-N 1 3 262.388 3.119 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCCC(C)(F)F)C1 ZINC000903476098 621763990 /nfs/dbraw/zinc/76/39/90/621763990.db2.gz NMAYAVDGNQQWDU-AWEZNQCLSA-N 1 3 262.388 3.119 20 0 CGADHO CC[N@H+](C[C@H](N)CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884900 621827075 /nfs/dbraw/zinc/82/70/75/621827075.db2.gz HVGVXMYUDMQQRW-WCQYABFASA-N 1 3 286.366 3.061 20 0 CGADHO CC[N@@H+](C[C@H](N)CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884900 621827076 /nfs/dbraw/zinc/82/70/76/621827076.db2.gz HVGVXMYUDMQQRW-WCQYABFASA-N 1 3 286.366 3.061 20 0 CGADHO CCC1([NH3+])CCN(CCCCOc2ccccc2)CC1 ZINC000903945947 621839098 /nfs/dbraw/zinc/83/90/98/621839098.db2.gz AFSXGDBOCAJHDB-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO CC[C@@H](CN1CCC([NH3+])(CC)CC1)c1ccccc1 ZINC000903946647 621839839 /nfs/dbraw/zinc/83/98/39/621839839.db2.gz YALDDSXTMGZZLY-HNNXBMFYSA-N 1 3 260.425 3.384 20 0 CGADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1csc2ccccc12 ZINC000903954301 621842215 /nfs/dbraw/zinc/84/22/15/621842215.db2.gz CTBKKIFGBWXWKV-GFCCVEGCSA-N 1 3 296.386 3.236 20 0 CGADHO C[C@@H](CCC1CCCC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972420 621843651 /nfs/dbraw/zinc/84/36/51/621843651.db2.gz IIQMQANSAFPBCA-DOTOQJQBSA-N 1 3 294.483 3.094 20 0 CGADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000904374382 621913628 /nfs/dbraw/zinc/91/36/28/621913628.db2.gz RROOHTFFPBCDEF-JYJNAYRXSA-N 1 3 282.472 3.031 20 0 CGADHO CC1(C)Nc2ccccc2[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000904385627 621917099 /nfs/dbraw/zinc/91/70/99/621917099.db2.gz AJQYVVKPPOPIMM-QGZVFWFLSA-N 1 3 281.403 3.180 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077922 623198113 /nfs/dbraw/zinc/19/81/13/623198113.db2.gz JWTLLPGHYWNTJJ-DLBZAZTESA-N 1 3 274.452 3.329 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000753661804 626461351 /nfs/dbraw/zinc/46/13/51/626461351.db2.gz HPTDUPSXGDVOIB-JYJNAYRXSA-N 1 3 290.451 3.445 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000753661804 626461353 /nfs/dbraw/zinc/46/13/53/626461353.db2.gz HPTDUPSXGDVOIB-JYJNAYRXSA-N 1 3 290.451 3.445 20 0 CGADHO COc1ccc2c(c1)nccc2N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000765482611 627252902 /nfs/dbraw/zinc/25/29/02/627252902.db2.gz PGXXXGWJVZTAEB-CQSZACIVSA-N 1 3 299.418 3.210 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccoc2)CC1 ZINC000768303502 627472853 /nfs/dbraw/zinc/47/28/53/627472853.db2.gz OZDSBCXPXYPDCB-UHFFFAOYSA-N 1 3 264.413 3.224 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccoc2)CC1 ZINC000768303502 627472855 /nfs/dbraw/zinc/47/28/55/627472855.db2.gz OZDSBCXPXYPDCB-UHFFFAOYSA-N 1 3 264.413 3.224 20 0 CGADHO C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648549 632036045 /nfs/dbraw/zinc/03/60/45/632036045.db2.gz MAQGKZURLWNCMY-CVEARBPZSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648549 632036051 /nfs/dbraw/zinc/03/60/51/632036051.db2.gz MAQGKZURLWNCMY-CVEARBPZSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@]1(C)CC1(Cl)Cl ZINC000817935701 632237331 /nfs/dbraw/zinc/23/73/31/632237331.db2.gz DCONMWPAVOFQIU-AGIUHOORSA-N 1 3 293.282 3.471 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)cc1 ZINC000817948338 632245871 /nfs/dbraw/zinc/24/58/71/632245871.db2.gz YAMGMYPTVIIXAS-CYBMUJFWSA-N 1 3 272.367 3.178 20 0 CGADHO [NH3+]CCc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000817949550 632245877 /nfs/dbraw/zinc/24/58/77/632245877.db2.gz RDLIOYSQKKEEER-SFHVURJKSA-N 1 3 284.378 3.104 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865830913 632904688 /nfs/dbraw/zinc/90/46/88/632904688.db2.gz VZBDSUJVXVJFOE-YNEHKIRRSA-N 1 3 290.373 3.346 20 0 CGADHO C[N@H+]1CC[C@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865830913 632904696 /nfs/dbraw/zinc/90/46/96/632904696.db2.gz VZBDSUJVXVJFOE-YNEHKIRRSA-N 1 3 290.373 3.346 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866259354 633047363 /nfs/dbraw/zinc/04/73/63/633047363.db2.gz APESSIQYLJRXQD-WMZOPIPTSA-N 1 3 289.467 3.113 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000866282879 633065080 /nfs/dbraw/zinc/06/50/80/633065080.db2.gz SBACKLSORBLZPY-MPGHIAIKSA-N 1 3 288.435 3.145 20 0 CGADHO CCn1ccnc1[C@H](C)NCCC1CC[NH+](C(C)C)CC1 ZINC000866469949 633147695 /nfs/dbraw/zinc/14/76/95/633147695.db2.gz QGSGWMBDHKEHCA-HNNXBMFYSA-N 1 3 292.471 3.064 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC23CCOCC3)CC1 ZINC000866530207 633175422 /nfs/dbraw/zinc/17/54/22/633175422.db2.gz YPXXBHMXMGVQEC-HNNXBMFYSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)CN1CCCCC1 ZINC000872025807 633946311 /nfs/dbraw/zinc/94/63/11/633946311.db2.gz UBKWJBVRCTTWQL-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO Cc1cccc2c1CCN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000846218214 636161136 /nfs/dbraw/zinc/16/11/36/636161136.db2.gz NCDOJTPSLLWAIR-UHFFFAOYSA-N 1 3 292.426 3.199 20 0 CGADHO CCc1nc(CN[C@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232249 634293788 /nfs/dbraw/zinc/29/37/88/634293788.db2.gz DFAADJLJXJVKJC-AWEZNQCLSA-N 1 3 293.480 3.108 20 0 CGADHO CC1(C)CC[C@@H](CNC2CCC(C(F)F)CC2)[NH2+]C1 ZINC000873236675 634297261 /nfs/dbraw/zinc/29/72/61/634297261.db2.gz IDKUQTXXBUGBEC-BPCQOVAHSA-N 1 3 274.399 3.178 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(Cl)c2)CCC1 ZINC000873248499 634300577 /nfs/dbraw/zinc/30/05/77/634300577.db2.gz FNFMCHMUSIHHLM-LSDHHAIUSA-N 1 3 278.827 3.231 20 0 CGADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000873251186 634301099 /nfs/dbraw/zinc/30/10/99/634301099.db2.gz UXNNVCWPVWCNOD-SGMGOOAPSA-N 1 3 287.432 3.198 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1nc(Cl)cs1 ZINC000877568676 635095021 /nfs/dbraw/zinc/09/50/21/635095021.db2.gz UQSVLIRAMFGOPZ-UHFFFAOYSA-N 1 3 275.849 3.007 20 0 CGADHO CCC1([NH+]2CCCCC2)CCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000880254672 635957931 /nfs/dbraw/zinc/95/79/31/635957931.db2.gz KVNNAZCRNGFXKV-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO CC1(N2CCC2)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000880472243 636007465 /nfs/dbraw/zinc/00/74/65/636007465.db2.gz HELJUXBDTKMAJD-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883185619 636571118 /nfs/dbraw/zinc/57/11/18/636571118.db2.gz AVLLVEXJSPTVEO-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)c1cccc(NC(=[NH2+])NCCN2CC[C@H](C)C2)c1 ZINC000849004891 636712326 /nfs/dbraw/zinc/71/23/26/636712326.db2.gz GTUKJBZWOCGLON-AWEZNQCLSA-N 1 3 288.439 3.088 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437366 637062802 /nfs/dbraw/zinc/06/28/02/637062802.db2.gz LVDFAFOHRQUOOW-JKIFEVAISA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437366 637062804 /nfs/dbraw/zinc/06/28/04/637062804.db2.gz LVDFAFOHRQUOOW-JKIFEVAISA-N 1 3 288.435 3.145 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000886011187 637360484 /nfs/dbraw/zinc/36/04/84/637360484.db2.gz WDBLWFAFZPGUPS-YJBOKZPZSA-N 1 3 294.483 3.331 20 0 CGADHO CC1([NH+]2CCCC2)CCC(NCc2ccc(F)cn2)CC1 ZINC000886541077 637565689 /nfs/dbraw/zinc/56/56/89/637565689.db2.gz QBHXOAJTAMZUOM-UHFFFAOYSA-N 1 3 291.414 3.107 20 0 CGADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H]1CCC(F)(F)C1 ZINC000887134756 637754745 /nfs/dbraw/zinc/75/47/45/637754745.db2.gz PRARKXVZDWMCHV-ZIAGYGMSSA-N 1 3 295.377 3.028 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853242037 637792857 /nfs/dbraw/zinc/79/28/57/637792857.db2.gz ZNKVUCLDYBBYKP-IXDOHACOSA-N 1 3 264.457 3.133 20 0 CGADHO COc1cc(C)c([C@@H](C)[NH2+]CC2(N)CCCC2)cc1C ZINC000854222487 638025988 /nfs/dbraw/zinc/02/59/88/638025988.db2.gz HIWXIBBJHSBQHG-CQSZACIVSA-N 1 3 276.424 3.234 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000924801977 638406625 /nfs/dbraw/zinc/40/66/25/638406625.db2.gz RQZIIMBSVZZUSN-UHFFFAOYSA-N 1 3 290.451 3.035 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925503404 638513406 /nfs/dbraw/zinc/51/34/06/638513406.db2.gz JJNZZRNOLDWXSA-HZMVEIRTSA-N 1 3 296.524 3.419 20 0 CGADHO C[C@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccc[nH]1 ZINC000925646099 638556486 /nfs/dbraw/zinc/55/64/86/638556486.db2.gz SQLRVKSXMVUHNA-KBPBESRZSA-N 1 3 271.408 3.488 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccccc3F)C1)[NH2+]2 ZINC000925656810 638559305 /nfs/dbraw/zinc/55/93/05/638559305.db2.gz PHMWHOROAXYCKK-NAKMTTOXSA-N 1 3 288.410 3.190 20 0 CGADHO CSCC1CCC([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925680255 638567569 /nfs/dbraw/zinc/56/75/69/638567569.db2.gz PHELIXFGYQFXNW-NCOXYXGASA-N 1 3 296.524 3.274 20 0 CGADHO C1=CCC(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925830847 638625266 /nfs/dbraw/zinc/62/52/66/638625266.db2.gz GBAQTARRABXNET-IAGOWNOFSA-N 1 3 262.441 3.101 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838167 638628590 /nfs/dbraw/zinc/62/85/90/638628590.db2.gz KXSVOEMZIAAOTM-ZJIFWQFVSA-N 1 3 294.389 3.142 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838167 638628597 /nfs/dbraw/zinc/62/85/97/638628597.db2.gz KXSVOEMZIAAOTM-ZJIFWQFVSA-N 1 3 294.389 3.142 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000926466065 638774036 /nfs/dbraw/zinc/77/40/36/638774036.db2.gz UGLDDJYOYYAVTA-UHFFFAOYSA-N 1 3 274.399 3.132 20 0 CGADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000926739641 638805759 /nfs/dbraw/zinc/80/57/59/638805759.db2.gz WOKNONLXOYUQMB-KSZLIROESA-N 1 3 296.499 3.028 20 0 CGADHO C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCCN(CC2CC2)C1 ZINC000926739723 638805864 /nfs/dbraw/zinc/80/58/64/638805864.db2.gz XXFGGPUKRWAFKD-MGNMYUMUSA-N 1 3 294.508 3.125 20 0 CGADHO C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cn1 ZINC000927036586 638834196 /nfs/dbraw/zinc/83/41/96/638834196.db2.gz DEGKEYWGWLURLM-KTAKPFMOSA-N 1 3 291.414 3.278 20 0 CGADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC(C)(C)O1 ZINC000859213033 639110987 /nfs/dbraw/zinc/11/09/87/639110987.db2.gz QKLWCMYMSYGWOI-QGZVFWFLSA-N 1 3 290.451 3.138 20 0 CGADHO CN(C)C1(C)CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000931356312 639139776 /nfs/dbraw/zinc/13/97/76/639139776.db2.gz WAUMUEZZYJEGRH-UHFFFAOYSA-N 1 3 252.446 3.229 20 0 CGADHO C[N@@H+]1C[C@@H]2CN(CCc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933740296 639485607 /nfs/dbraw/zinc/48/56/07/639485607.db2.gz IVBIPGWEZNQOSW-UXHICEINSA-N 1 3 294.442 3.266 20 0 CGADHO C[N@H+]1C[C@@H]2CN(CCc3ccc4ccccc4c3)C[C@]2(C)C1 ZINC000933740296 639485611 /nfs/dbraw/zinc/48/56/11/639485611.db2.gz IVBIPGWEZNQOSW-UXHICEINSA-N 1 3 294.442 3.266 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000251488713 640826966 /nfs/dbraw/zinc/82/69/66/640826966.db2.gz CFCRDNKDCOZZLZ-JKOKRWQUSA-N 1 3 284.350 3.066 20 0 CGADHO CC[NH+](CC)[C@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001252956534 806139981 /nfs/dbraw/zinc/13/99/81/806139981.db2.gz FEIKMJPPCBYOFQ-HNNXBMFYSA-N 1 3 283.419 3.464 20 0 CGADHO CCCCC[C@@H](O)CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253533396 806237725 /nfs/dbraw/zinc/23/77/25/806237725.db2.gz QPQHDSHJPHCBKH-ZWKOTPCHSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253533396 806237732 /nfs/dbraw/zinc/23/77/32/806237732.db2.gz QPQHDSHJPHCBKH-ZWKOTPCHSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253533396 806237742 /nfs/dbraw/zinc/23/77/42/806237742.db2.gz QPQHDSHJPHCBKH-ZWKOTPCHSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@H](O)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253552487 806250976 /nfs/dbraw/zinc/25/09/76/806250976.db2.gz AOMRMZIMKMUHAF-HNNXBMFYSA-N 1 3 284.488 3.169 20 0 CGADHO CCCCC[C@H](O)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001253552487 806250982 /nfs/dbraw/zinc/25/09/82/806250982.db2.gz AOMRMZIMKMUHAF-HNNXBMFYSA-N 1 3 284.488 3.169 20 0 CGADHO CN1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC001254497788 806419034 /nfs/dbraw/zinc/41/90/34/806419034.db2.gz MTAAPPUFGOCRCK-CQSZACIVSA-N 1 3 270.779 3.053 20 0 CGADHO CN1CCC[C@H]([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001254519682 806436616 /nfs/dbraw/zinc/43/66/16/806436616.db2.gz JVMVFVBMQWJFMK-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc(CN(C)C)n2)c1 ZINC001162910869 806684153 /nfs/dbraw/zinc/68/41/53/806684153.db2.gz XNIZJXIAVZHISM-CYBMUJFWSA-N 1 3 294.402 3.107 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255663379 806698647 /nfs/dbraw/zinc/69/86/47/806698647.db2.gz GMOQZPJBHOAGRT-RDGKXADDSA-N 1 3 298.434 3.244 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255663379 806698651 /nfs/dbraw/zinc/69/86/51/806698651.db2.gz GMOQZPJBHOAGRT-RDGKXADDSA-N 1 3 298.434 3.244 20 0 CGADHO Cc1ncccc1[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255672312 806700981 /nfs/dbraw/zinc/70/09/81/806700981.db2.gz AQCZHYGAJPYFOF-PHSGOXPASA-N 1 3 299.462 3.446 20 0 CGADHO Cc1ncccc1[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255672312 806700986 /nfs/dbraw/zinc/70/09/86/806700986.db2.gz AQCZHYGAJPYFOF-PHSGOXPASA-N 1 3 299.462 3.446 20 0 CGADHO Cc1ccccc1CN(C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680564 806703726 /nfs/dbraw/zinc/70/37/26/806703726.db2.gz ZWIZQLHHTUMFHT-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1ccccc1CN(C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680564 806703733 /nfs/dbraw/zinc/70/37/33/806703733.db2.gz ZWIZQLHHTUMFHT-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO CN(C)C1CC[NH+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255708715 806713795 /nfs/dbraw/zinc/71/37/95/806713795.db2.gz NPEYNKCXXKEQOB-DGCLKSJQSA-N 1 3 278.362 3.134 20 0 CGADHO Cc1ccc(SC[C@H](C)N(C)C[C@@H](C)C[NH3+])cc1 ZINC001255755470 806738355 /nfs/dbraw/zinc/73/83/55/806738355.db2.gz LJDDZZHXIYHXES-KBPBESRZSA-N 1 3 266.454 3.002 20 0 CGADHO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381799686 799387134 /nfs/dbraw/zinc/38/71/34/799387134.db2.gz RSDGXOVFPVMQFX-PCKHISNJSA-N 1 3 278.827 3.239 20 0 CGADHO COc1ccc2cc(CN3C[C@@H](C[NH3+])CC[C@H]3C)ccc2c1 ZINC000387250878 799444412 /nfs/dbraw/zinc/44/44/12/799444412.db2.gz LYLMKVFEEFGCSW-GDBMZVCRSA-N 1 3 298.430 3.408 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCOCc1ccccc1 ZINC001255942550 806791360 /nfs/dbraw/zinc/79/13/60/806791360.db2.gz FENPSOOEVYMDRF-KRWDZBQOSA-N 1 3 292.467 3.303 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1ccccc1F ZINC001255947550 806792190 /nfs/dbraw/zinc/79/21/90/806792190.db2.gz SDUVNJXMWGVOTQ-HNNXBMFYSA-N 1 3 280.431 3.468 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001255948156 806794299 /nfs/dbraw/zinc/79/42/99/806794299.db2.gz GJITVDAFNZKWTL-RRQGHBQHSA-N 1 3 278.415 3.392 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCCCCCCO ZINC001255951222 806795330 /nfs/dbraw/zinc/79/53/30/806795330.db2.gz NZUMORSQPWUIDV-INIZCTEOSA-N 1 3 272.477 3.029 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC1(c2cccc(C)n2)CC1 ZINC001255951388 806795904 /nfs/dbraw/zinc/79/59/04/806795904.db2.gz JOOUSGCHMIHWJH-HNNXBMFYSA-N 1 3 289.467 3.132 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709806489 800017987 /nfs/dbraw/zinc/01/79/87/800017987.db2.gz DJELYGMQCQJXRV-HRCADAONSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709806489 800017995 /nfs/dbraw/zinc/01/79/95/800017995.db2.gz DJELYGMQCQJXRV-HRCADAONSA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC1(c2ccc(C)cn2)CC1 ZINC001255953688 806797331 /nfs/dbraw/zinc/79/73/31/806797331.db2.gz NADSUZLDTJYAJH-INIZCTEOSA-N 1 3 289.467 3.132 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)(C)Cc1ccccn1 ZINC001255954568 806798203 /nfs/dbraw/zinc/79/82/03/806798203.db2.gz XTIHFBMADFYEGX-MRXNPFEDSA-N 1 3 291.483 3.360 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000715509331 800137779 /nfs/dbraw/zinc/13/77/79/800137779.db2.gz YKTODNOUMITESM-LSDHHAIUSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716720978 800179447 /nfs/dbraw/zinc/17/94/47/800179447.db2.gz ZDMHTRKGAJWCDY-XIVBQZFQSA-N 1 3 284.447 3.428 20 0 CGADHO C[C@H](N)c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521119 806909111 /nfs/dbraw/zinc/90/91/11/806909111.db2.gz ZUNCAQTVRVPOEB-YQQAZPJKSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1nccn1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521119 806909117 /nfs/dbraw/zinc/90/91/17/806909117.db2.gz ZUNCAQTVRVPOEB-YQQAZPJKSA-N 1 3 298.434 3.128 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001256563631 806916210 /nfs/dbraw/zinc/91/62/10/806916210.db2.gz GNIPREJDUJBIAM-DLBZAZTESA-N 1 3 272.436 3.395 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682273 806946856 /nfs/dbraw/zinc/94/68/56/806946856.db2.gz ILAZXRXFJRSOLC-WWDZGPRUSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@@H](CC)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683117 806948284 /nfs/dbraw/zinc/94/82/84/806948284.db2.gz SIZGZCUPTKHOEX-WWDZGPRUSA-N 1 3 296.499 3.436 20 0 CGADHO Cc1cccc([C@H](NC[C@@H]2CCC[NH2+]C2)C(C)C)c1 ZINC001118898500 802615078 /nfs/dbraw/zinc/61/50/78/802615078.db2.gz XEUAUIMSTMYOQR-NVXWUHKLSA-N 1 3 260.425 3.281 20 0 CGADHO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC001200813183 811748480 /nfs/dbraw/zinc/74/84/80/811748480.db2.gz VIGDJSSZFRHZAM-IRXDYDNUSA-N 1 3 290.451 3.438 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001206809955 813443602 /nfs/dbraw/zinc/44/36/02/813443602.db2.gz MPQBZTSJGHPSJN-RDJZCZTQSA-N 1 3 290.451 3.341 20 0 CGADHO c1cc2c(c(-c3ccc([C@@H]4CCC[NH2+]4)cc3)n1)CCN2 ZINC001245348170 803707794 /nfs/dbraw/zinc/70/77/94/803707794.db2.gz WNKUPNXUOCSULO-HNNXBMFYSA-N 1 3 265.360 3.141 20 0 CGADHO Nc1nc2cc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)ccc2[nH]1 ZINC001245355668 803710260 /nfs/dbraw/zinc/71/02/60/803710260.db2.gz KZSHUBJYZVIAKC-AWEZNQCLSA-N 1 3 278.359 3.237 20 0 CGADHO Nc1nc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)cc2[nH]1 ZINC001245355668 803710262 /nfs/dbraw/zinc/71/02/62/803710262.db2.gz KZSHUBJYZVIAKC-AWEZNQCLSA-N 1 3 278.359 3.237 20 0 CGADHO CCN(CC)Cc1cc(-c2ccncc2C[NH3+])ccc1F ZINC001245561807 803816123 /nfs/dbraw/zinc/81/61/23/803816123.db2.gz VYNQJOZDDHJKOL-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246074286 804111523 /nfs/dbraw/zinc/11/15/23/804111523.db2.gz NHSAAXIZPQEIEO-CVEARBPZSA-N 1 3 278.415 3.125 20 0 CGADHO C[NH2+]CC[C@H](C)NCc1ccccc1-c1ccccc1 ZINC001246076172 804114080 /nfs/dbraw/zinc/11/40/80/804114080.db2.gz BASKRLBPYHNPAO-HNNXBMFYSA-N 1 3 268.404 3.441 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246075393 804114784 /nfs/dbraw/zinc/11/47/84/804114784.db2.gz SXYOWPHNOWNITB-IRXDYDNUSA-N 1 3 278.415 3.269 20 0 CGADHO CC[C@H](Cc1ccccc1)N[C@H](C[NH3+])c1ccccc1 ZINC001246077120 804116296 /nfs/dbraw/zinc/11/62/96/804116296.db2.gz QUGXQWUXFQLWHI-QZTJIDSGSA-N 1 3 268.404 3.297 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246092083 804123607 /nfs/dbraw/zinc/12/36/07/804123607.db2.gz MQNDAYWVJHSERB-IJLUTSLNSA-N 1 3 284.806 3.270 20 0 CGADHO c1ccc(CCN[C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246092398 804123661 /nfs/dbraw/zinc/12/36/61/804123661.db2.gz BPKWKYLHUQYMNE-QGZVFWFLSA-N 1 3 272.436 3.274 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC001246095383 804128760 /nfs/dbraw/zinc/12/87/60/804128760.db2.gz PWFWIWREYMAYPE-QWHCGFSZSA-N 1 3 298.883 3.410 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246101868 804134920 /nfs/dbraw/zinc/13/49/20/804134920.db2.gz MOOJUTFIIXMYGM-TUKIKUTGSA-N 1 3 266.816 3.131 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC001246112848 804144393 /nfs/dbraw/zinc/14/43/93/804144393.db2.gz OWXCSHZFEDCNCZ-HRCADAONSA-N 1 3 292.492 3.311 20 0 CGADHO Cc1ccc(CCCN[C@@H]2CC[NH2+][C@@H](C(C)C)C2)s1 ZINC001246127617 804154881 /nfs/dbraw/zinc/15/48/81/804154881.db2.gz LNTUTFZMHQMWBI-GDBMZVCRSA-N 1 3 280.481 3.355 20 0 CGADHO CCCCC[C@H](CC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246140051 804163801 /nfs/dbraw/zinc/16/38/01/804163801.db2.gz ABGVJMQECSFJJI-BBWFWOEESA-N 1 3 282.472 3.094 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246160049 804176124 /nfs/dbraw/zinc/17/61/24/804176124.db2.gz SBNLXHMQCGTXFD-MNOVXSKESA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)CCN1 ZINC001246160049 804176127 /nfs/dbraw/zinc/17/61/27/804176127.db2.gz SBNLXHMQCGTXFD-MNOVXSKESA-N 1 3 287.234 3.266 20 0 CGADHO F[C@@H]1CCNC[C@@H]1C[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246219643 804215390 /nfs/dbraw/zinc/21/53/90/804215390.db2.gz BWWDVUUXFLVEQX-OWCLPIDISA-N 1 3 282.447 3.417 20 0 CGADHO C[C@H]1CC(NCC2(c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246240662 804231641 /nfs/dbraw/zinc/23/16/41/804231641.db2.gz SVOUZXGOFSRODQ-STQMWFEESA-N 1 3 292.854 3.490 20 0 CGADHO C[C@H]1CC([NH2+]CC2(c3ccc(Cl)cc3)CC2)C[C@H](C)N1 ZINC001246240662 804231647 /nfs/dbraw/zinc/23/16/47/804231647.db2.gz SVOUZXGOFSRODQ-STQMWFEESA-N 1 3 292.854 3.490 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CN ZINC001246250010 804238568 /nfs/dbraw/zinc/23/85/68/804238568.db2.gz NTKLBIMSJKSBIB-MRXNPFEDSA-N 1 3 262.441 3.218 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273758 804249286 /nfs/dbraw/zinc/24/92/86/804249286.db2.gz SIENKWUAVKXZBT-APHBMKBZSA-N 1 3 280.843 3.391 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246277330 804253801 /nfs/dbraw/zinc/25/38/01/804253801.db2.gz HZXJREYADSLBKD-DFBGVHRSSA-N 1 3 299.245 3.320 20 0 CGADHO CC(C)C[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1 ZINC001246294402 804264832 /nfs/dbraw/zinc/26/48/32/804264832.db2.gz WNTJHWJJIDXXIH-JKSUJKDBSA-N 1 3 264.388 3.255 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246307485 804269135 /nfs/dbraw/zinc/26/91/35/804269135.db2.gz CGTIWZGZSJLYSO-JKSUJKDBSA-N 1 3 292.854 3.318 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C[C@@H](C)N1 ZINC001246306690 804269265 /nfs/dbraw/zinc/26/92/65/804269265.db2.gz XGQWJQVAGLBDIQ-XHBSWPGZSA-N 1 3 292.854 3.316 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[C@H]1[NH3+] ZINC001246305324 804269904 /nfs/dbraw/zinc/26/99/04/804269904.db2.gz OITYYIYWMUMDHI-GDLCADMTSA-N 1 3 286.341 3.106 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246327930 804284349 /nfs/dbraw/zinc/28/43/49/804284349.db2.gz VGANSJSPKUHJGM-SPUZQDLCSA-N 1 3 272.436 3.443 20 0 CGADHO Cc1ccc(Cl)c(CC[NH2+][C@@H]2CCCCNC2)c1F ZINC001246342144 804294963 /nfs/dbraw/zinc/29/49/63/804294963.db2.gz FSBZYKVXHNYMIB-GFCCVEGCSA-N 1 3 284.806 3.062 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246371176 804307143 /nfs/dbraw/zinc/30/71/43/804307143.db2.gz IEBSVIAYPIBMSV-INIZCTEOSA-N 1 3 274.452 3.436 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNCC1(C)C ZINC001246378217 804311663 /nfs/dbraw/zinc/31/16/63/804311663.db2.gz UIVJCYWXTLHKBS-IAGOWNOFSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)CCN1 ZINC001246386622 804316496 /nfs/dbraw/zinc/31/64/96/804316496.db2.gz XPVYXMFOPSCXKM-ZFWWWQNUSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)CCN1 ZINC001246403419 804322543 /nfs/dbraw/zinc/32/25/43/804322543.db2.gz DUAJLQBZRXUPRL-TZMCWYRMSA-N 1 3 286.410 3.465 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CN1 ZINC001246406924 804323842 /nfs/dbraw/zinc/32/38/42/804323842.db2.gz QLAZQPBEBCVKTO-GXTWGEPZSA-N 1 3 286.410 3.465 20 0 CGADHO CCC1([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CCNCC1 ZINC001246423449 804327314 /nfs/dbraw/zinc/32/73/14/804327314.db2.gz JVKRKFGSJUKIEO-UONOGXRCSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430085 804329320 /nfs/dbraw/zinc/32/93/20/804329320.db2.gz FXFVXSLOAKTNLV-GJZGRUSLSA-N 1 3 264.457 3.323 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246456151 804338288 /nfs/dbraw/zinc/33/82/88/804338288.db2.gz ZUYOGEYMXVSGCM-KZNAEPCWSA-N 1 3 290.426 3.193 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCN1 ZINC001246457863 804339729 /nfs/dbraw/zinc/33/97/29/804339729.db2.gz WDKYLUNGYRADIP-PBHICJAKSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246458558 804340770 /nfs/dbraw/zinc/34/07/70/804340770.db2.gz HFXOTYAYZZAPSB-JMSVASOKSA-N 1 3 299.245 3.320 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCNCC2)C1 ZINC001246460070 804341335 /nfs/dbraw/zinc/34/13/35/804341335.db2.gz MJJOODDVFVSAPN-PBHICJAKSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H]1CC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C[C@H](C)N1 ZINC001246463778 804344699 /nfs/dbraw/zinc/34/46/99/804344699.db2.gz TUAGANANQNLWSK-DFEHZGFQSA-N 1 3 272.436 3.441 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246466946 804346771 /nfs/dbraw/zinc/34/67/71/804346771.db2.gz XRSWBYGIOBIFQD-SLEUVZQESA-N 1 3 299.245 3.320 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246495255 804361378 /nfs/dbraw/zinc/36/13/78/804361378.db2.gz IWUPJRJXUHIGKY-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246498753 804361879 /nfs/dbraw/zinc/36/18/79/804361879.db2.gz IVRYIQZPCHJZID-KGLIPLIRSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCC2(CCCC2)CC1)C1CNC1 ZINC001246518737 804371494 /nfs/dbraw/zinc/37/14/94/804371494.db2.gz PKERULASAUVIBB-INIZCTEOSA-N 1 3 264.457 3.323 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246520232 804374748 /nfs/dbraw/zinc/37/47/48/804374748.db2.gz VZWSTATUEBOAOK-RBUKOAKNSA-N 1 3 286.463 3.231 20 0 CGADHO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCN[C@H](C)C1 ZINC001246537345 804384939 /nfs/dbraw/zinc/38/49/39/804384939.db2.gz VJZOVYJEOAPMFM-BFYDXBDKSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCN[C@H](C)C1 ZINC001246537345 804384945 /nfs/dbraw/zinc/38/49/45/804384945.db2.gz VJZOVYJEOAPMFM-BFYDXBDKSA-N 1 3 290.451 3.089 20 0 CGADHO C[C@H]1C[N@@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1CN ZINC001246540771 804389880 /nfs/dbraw/zinc/38/98/80/804389880.db2.gz CHAWPACSZAVHQO-JQZVFVSYSA-N 1 3 298.474 3.340 20 0 CGADHO C[C@H]1C[N@H+](C2CCC3(CCc4ccccc43)CC2)C[C@H]1CN ZINC001246540771 804389890 /nfs/dbraw/zinc/38/98/90/804389890.db2.gz CHAWPACSZAVHQO-JQZVFVSYSA-N 1 3 298.474 3.340 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1C1CCC2(CCCCC2)CC1 ZINC001246544662 804392636 /nfs/dbraw/zinc/39/26/36/804392636.db2.gz RQQVVHVPGMAYDC-UKRRQHHQSA-N 1 3 250.430 3.301 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@](C)([NH3+])CC1 ZINC001246546817 804395656 /nfs/dbraw/zinc/39/56/56/804395656.db2.gz AOYUVVOCAHXCNV-BBRMVZONSA-N 1 3 280.843 3.474 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2CCC[C@@H]([NH3+])CC2)cc1 ZINC001246548407 804398361 /nfs/dbraw/zinc/39/83/61/804398361.db2.gz TXIYXNVDEIPWFT-HUUCEWRRSA-N 1 3 278.465 3.289 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2c2ccccc2)CCN1 ZINC001246549922 804400755 /nfs/dbraw/zinc/40/07/55/804400755.db2.gz MKVWBNLMABDUDA-DJIMGWMZSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2c2ccccc2)CCN1 ZINC001246549922 804400759 /nfs/dbraw/zinc/40/07/59/804400759.db2.gz MKVWBNLMABDUDA-DJIMGWMZSA-N 1 3 258.409 3.354 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC001246551253 804401437 /nfs/dbraw/zinc/40/14/37/804401437.db2.gz LRXVSHICJWPZSU-MPGHIAIKSA-N 1 3 274.452 3.097 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC001246551253 804401439 /nfs/dbraw/zinc/40/14/39/804401439.db2.gz LRXVSHICJWPZSU-MPGHIAIKSA-N 1 3 274.452 3.097 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@H]1CN ZINC001246553793 804404470 /nfs/dbraw/zinc/40/44/70/804404470.db2.gz UUAWKRSODNVYIZ-SRCQZFHVSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@H]1CN ZINC001246553793 804404472 /nfs/dbraw/zinc/40/44/72/804404472.db2.gz UUAWKRSODNVYIZ-SRCQZFHVSA-N 1 3 292.854 3.114 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C)C1 ZINC001246559721 804407676 /nfs/dbraw/zinc/40/76/76/804407676.db2.gz PPXSYPWEGSHXGA-NVXWUHKLSA-N 1 3 260.425 3.285 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C)C1 ZINC001246559721 804407683 /nfs/dbraw/zinc/40/76/83/804407683.db2.gz PPXSYPWEGSHXGA-NVXWUHKLSA-N 1 3 260.425 3.285 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246593862 804435823 /nfs/dbraw/zinc/43/58/23/804435823.db2.gz TWTVAPGPVAXFJJ-IPYPFGDCSA-N 1 3 292.854 3.257 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@H+](C(C)C)[C@@H]2CCCNCC2)C1 ZINC001246595108 804437541 /nfs/dbraw/zinc/43/75/41/804437541.db2.gz RHRKRGALJQFDIM-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@@H+](C(C)C)[C@@H]2CCCNCC2)C1 ZINC001246595108 804437545 /nfs/dbraw/zinc/43/75/45/804437545.db2.gz RHRKRGALJQFDIM-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CC[C@]12CCCNC2 ZINC001246605625 804441928 /nfs/dbraw/zinc/44/19/28/804441928.db2.gz PXAWPAHGZXFTSY-INIZCTEOSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CC[C@]12CCCNC2 ZINC001246605625 804441933 /nfs/dbraw/zinc/44/19/33/804441933.db2.gz PXAWPAHGZXFTSY-INIZCTEOSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(CC(C)C)N1CC[C@]12CCC[NH2+]C2 ZINC001246605625 804441938 /nfs/dbraw/zinc/44/19/38/804441938.db2.gz PXAWPAHGZXFTSY-INIZCTEOSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246627187 804458918 /nfs/dbraw/zinc/45/89/18/804458918.db2.gz ZLWOJJJBLNTEIC-IRXDYDNUSA-N 1 3 282.472 3.046 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246627187 804458920 /nfs/dbraw/zinc/45/89/20/804458920.db2.gz ZLWOJJJBLNTEIC-IRXDYDNUSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]1C[C@H](N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@@H](C)C1 ZINC001246626877 804459276 /nfs/dbraw/zinc/45/92/76/804459276.db2.gz VIUCJRHQFSAOPF-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629408 804460808 /nfs/dbraw/zinc/46/08/08/804460808.db2.gz ZBNGBCWFAFOUKN-CADBVGFASA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629408 804460809 /nfs/dbraw/zinc/46/08/09/804460809.db2.gz ZBNGBCWFAFOUKN-CADBVGFASA-N 1 3 284.447 3.397 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634346 804463732 /nfs/dbraw/zinc/46/37/32/804463732.db2.gz BVUOZYOAXYSCNV-KSZLIROESA-N 1 3 296.499 3.149 20 0 CGADHO c1ccc(CC2CCC(N3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246646952 804473763 /nfs/dbraw/zinc/47/37/63/804473763.db2.gz PFXSBJRENREWCL-VLOYRQLPSA-N 1 3 284.447 3.082 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651745 804478894 /nfs/dbraw/zinc/47/88/94/804478894.db2.gz ZDAIZRUUDUTFDO-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246692207 804498732 /nfs/dbraw/zinc/49/87/32/804498732.db2.gz NBFNJSNSPUMTGC-CAOSSQGBSA-N 1 3 270.436 3.225 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246692207 804498736 /nfs/dbraw/zinc/49/87/36/804498736.db2.gz NBFNJSNSPUMTGC-CAOSSQGBSA-N 1 3 270.436 3.225 20 0 CGADHO CC(C)[C@@H]1C[C@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773526 804504293 /nfs/dbraw/zinc/50/42/93/804504293.db2.gz AGTCSBQRUGSFEO-MSOLQXFVSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246773526 804504296 /nfs/dbraw/zinc/50/42/96/804504296.db2.gz AGTCSBQRUGSFEO-MSOLQXFVSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246773526 804504299 /nfs/dbraw/zinc/50/42/99/804504299.db2.gz AGTCSBQRUGSFEO-MSOLQXFVSA-N 1 3 274.452 3.328 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773629 804504800 /nfs/dbraw/zinc/50/48/00/804504800.db2.gz BVVVPSIVUFGVFK-NXHRZFHOSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773629 804504804 /nfs/dbraw/zinc/50/48/04/804504804.db2.gz BVVVPSIVUFGVFK-NXHRZFHOSA-N 1 3 272.436 3.082 20 0 CGADHO COc1ccc([C@@H]2CCCN2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246783477 804509511 /nfs/dbraw/zinc/50/95/11/804509511.db2.gz ZAEQZBVDQVIOOH-WBVHZDCISA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCNC(C)(C)C2)cc1 ZINC001246783477 804509513 /nfs/dbraw/zinc/50/95/13/804509513.db2.gz ZAEQZBVDQVIOOH-WBVHZDCISA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCNC(C)(C)C2)cc1 ZINC001246783477 804509516 /nfs/dbraw/zinc/50/95/16/804509516.db2.gz ZAEQZBVDQVIOOH-WBVHZDCISA-N 1 3 288.435 3.363 20 0 CGADHO C[C@@H]1CC([N@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@@H](C)N1 ZINC001246784017 804510199 /nfs/dbraw/zinc/51/01/99/804510199.db2.gz SVNXRHVGTJXGQQ-DAZFMJRUSA-N 1 3 276.468 3.416 20 0 CGADHO C[C@@H]1CC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@@H](C)N1 ZINC001246784017 804510204 /nfs/dbraw/zinc/51/02/04/804510204.db2.gz SVNXRHVGTJXGQQ-DAZFMJRUSA-N 1 3 276.468 3.416 20 0 CGADHO C[C@@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246789302 804513120 /nfs/dbraw/zinc/51/31/20/804513120.db2.gz UUNUSAFUIQNQMI-CXAGYDPISA-N 1 3 276.399 3.146 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)CCN1 ZINC001246789302 804513126 /nfs/dbraw/zinc/51/31/26/804513126.db2.gz UUNUSAFUIQNQMI-CXAGYDPISA-N 1 3 276.399 3.146 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246791500 804515727 /nfs/dbraw/zinc/51/57/27/804515727.db2.gz KDLNHUDEINGWEK-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246791500 804515730 /nfs/dbraw/zinc/51/57/30/804515730.db2.gz KDLNHUDEINGWEK-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246791500 804515736 /nfs/dbraw/zinc/51/57/36/804515736.db2.gz KDLNHUDEINGWEK-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO CCC[C@H](Cc1ccccc1)N1CCC([NH2+]CC)CC1 ZINC001246808841 804526284 /nfs/dbraw/zinc/52/62/84/804526284.db2.gz UEMBJSOGXZASAF-GOSISDBHSA-N 1 3 274.452 3.472 20 0 CGADHO CN(Cc1cccc(Cl)c1Cl)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246809916 804527633 /nfs/dbraw/zinc/52/76/33/804527633.db2.gz JONGNZWNTPCWPZ-CLLJXQQHSA-N 1 3 299.245 3.423 20 0 CGADHO C[N@H+](CCc1ccccc1Cl)[C@H]1CCNC2(CCC2)C1 ZINC001246819256 804533064 /nfs/dbraw/zinc/53/30/64/804533064.db2.gz CKQICVBEWCODMG-HNNXBMFYSA-N 1 3 292.854 3.489 20 0 CGADHO C[N@@H+](CCc1ccccc1Cl)[C@H]1CCNC2(CCC2)C1 ZINC001246819256 804533070 /nfs/dbraw/zinc/53/30/70/804533070.db2.gz CKQICVBEWCODMG-HNNXBMFYSA-N 1 3 292.854 3.489 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+](C)CC2CCCC2)CCN1 ZINC001246841625 804549729 /nfs/dbraw/zinc/54/97/29/804549729.db2.gz NPLXNLUQFLMZJZ-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+](C)CC2CCCC2)CCN1 ZINC001246841625 804549733 /nfs/dbraw/zinc/54/97/33/804549733.db2.gz NPLXNLUQFLMZJZ-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4CNCC[C@@H]4C3)C2)cc1 ZINC001246845021 804554707 /nfs/dbraw/zinc/55/47/07/804554707.db2.gz KHPIQVJGQZJIEO-MKXGPGLRSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3C[C@H]4CNCC[C@@H]4C3)C2)cc1 ZINC001246845021 804554710 /nfs/dbraw/zinc/55/47/10/804554710.db2.gz KHPIQVJGQZJIEO-MKXGPGLRSA-N 1 3 284.447 3.254 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847316 804556832 /nfs/dbraw/zinc/55/68/32/804556832.db2.gz SWXHINZKHSQRTG-KBXIAJHMSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847316 804556836 /nfs/dbraw/zinc/55/68/36/804556836.db2.gz SWXHINZKHSQRTG-KBXIAJHMSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H]2C2CCCCC2)CCN1 ZINC001246861374 804566617 /nfs/dbraw/zinc/56/66/17/804566617.db2.gz JMNLGYSHVZOFMK-IMJJTQAJSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@H]2C2CCCCC2)CCN1 ZINC001246861374 804566621 /nfs/dbraw/zinc/56/66/21/804566621.db2.gz JMNLGYSHVZOFMK-IMJJTQAJSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867338 804570276 /nfs/dbraw/zinc/57/02/76/804570276.db2.gz OCWGFGQPBYROIS-GBESFXJTSA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867338 804570281 /nfs/dbraw/zinc/57/02/81/804570281.db2.gz OCWGFGQPBYROIS-GBESFXJTSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C(C)C)C[C@H](CC)N1 ZINC001246884299 804579867 /nfs/dbraw/zinc/57/98/67/804579867.db2.gz AETAUADIVKTDPM-QKPAOTATSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)C)C[C@H](CC)N1 ZINC001246884299 804579872 /nfs/dbraw/zinc/57/98/72/804579872.db2.gz AETAUADIVKTDPM-QKPAOTATSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895187 804584735 /nfs/dbraw/zinc/58/47/35/804584735.db2.gz WKTYUPAJLLKABI-IAGOWNOFSA-N 1 3 274.452 3.470 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895187 804584738 /nfs/dbraw/zinc/58/47/38/804584738.db2.gz WKTYUPAJLLKABI-IAGOWNOFSA-N 1 3 274.452 3.470 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246909913 804592893 /nfs/dbraw/zinc/59/28/93/804592893.db2.gz SDSQEUDNOITEBF-NVXWUHKLSA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCN[C@H](C)C1 ZINC001246909913 804592897 /nfs/dbraw/zinc/59/28/97/804592897.db2.gz SDSQEUDNOITEBF-NVXWUHKLSA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCN[C@H](C)C1 ZINC001246909913 804592901 /nfs/dbraw/zinc/59/29/01/804592901.db2.gz SDSQEUDNOITEBF-NVXWUHKLSA-N 1 3 260.425 3.266 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933912 804607364 /nfs/dbraw/zinc/60/73/64/804607364.db2.gz JTVSRZJSJAWZDE-YVECIDJPSA-N 1 3 292.389 3.413 20 0 CGADHO [NH3+]C[C@@]1(F)CCN(C2CCC(Cc3ccccc3)CC2)C1 ZINC001246945222 804614630 /nfs/dbraw/zinc/61/46/30/804614630.db2.gz KHGGAUPJSOCFGB-ABHNRTSZSA-N 1 3 290.426 3.161 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@@H+](C3CCNCC3)C2)cc1 ZINC001246980779 804627576 /nfs/dbraw/zinc/62/75/76/804627576.db2.gz SOCWVYMGZDLQIQ-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@H+](C3CCNCC3)C2)cc1 ZINC001246980779 804627581 /nfs/dbraw/zinc/62/75/81/804627581.db2.gz SOCWVYMGZDLQIQ-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@@H](C)N1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001257312319 807101351 /nfs/dbraw/zinc/10/13/51/807101351.db2.gz CCTRCGCVPXDJMY-CQSZACIVSA-N 1 3 276.424 3.134 20 0 CGADHO Cc1ccc2c(NCCN3CCSCC3)cc[nH+]c2c1 ZINC001167839613 807260182 /nfs/dbraw/zinc/26/01/82/807260182.db2.gz PNABLMYYDMBPBF-UHFFFAOYSA-N 1 3 287.432 3.004 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCc2occc2C1 ZINC001167839501 807260284 /nfs/dbraw/zinc/26/02/84/807260284.db2.gz YLXKXIQAGGOYQW-AWEZNQCLSA-N 1 3 264.413 3.148 20 0 CGADHO CCC[N@H+](CC)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981871 807290283 /nfs/dbraw/zinc/29/02/83/807290283.db2.gz NQHLZFGWSYEEJL-XYPWUTKMSA-N 1 3 250.430 3.124 20 0 CGADHO CCC[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981871 807290286 /nfs/dbraw/zinc/29/02/86/807290286.db2.gz NQHLZFGWSYEEJL-XYPWUTKMSA-N 1 3 250.430 3.124 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCC13CCCC3)C2 ZINC001167988005 807292987 /nfs/dbraw/zinc/29/29/87/807292987.db2.gz OFXABJXEKHZUAF-SJPCQFCGSA-N 1 3 274.452 3.410 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCC13CCCC3)C2 ZINC001167988005 807292993 /nfs/dbraw/zinc/29/29/93/807292993.db2.gz OFXABJXEKHZUAF-SJPCQFCGSA-N 1 3 274.452 3.410 20 0 CGADHO Fc1ccc([C@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168360342 807392482 /nfs/dbraw/zinc/39/24/82/807392482.db2.gz OKUGNOMVLWIEFR-QZTJIDSGSA-N 1 3 288.410 3.146 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC001168363123 807394296 /nfs/dbraw/zinc/39/42/96/807394296.db2.gz TVAZJLGUKJZVBK-GFCCVEGCSA-N 1 3 294.389 3.490 20 0 CGADHO c1ccc([C@H]2CC[N@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168387421 807399339 /nfs/dbraw/zinc/39/93/39/807399339.db2.gz IJBPFWYJAGQFBK-GOSISDBHSA-N 1 3 270.420 3.308 20 0 CGADHO c1ccc([C@H]2CC[N@@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168387421 807399345 /nfs/dbraw/zinc/39/93/45/807399345.db2.gz IJBPFWYJAGQFBK-GOSISDBHSA-N 1 3 270.420 3.308 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168454867 807421279 /nfs/dbraw/zinc/42/12/79/807421279.db2.gz BJKDWPNHFJYAGJ-HNNXBMFYSA-N 1 3 280.431 3.468 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3occc3c1)C2 ZINC001169091488 807570956 /nfs/dbraw/zinc/57/09/56/807570956.db2.gz SGRPKBSXSPSDMA-MUJYYYPQSA-N 1 3 270.376 3.148 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)C2 ZINC001169095748 807574501 /nfs/dbraw/zinc/57/45/01/807574501.db2.gz SPOQYWLORASFNO-BTTYYORXSA-N 1 3 296.361 3.003 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169118384 807583127 /nfs/dbraw/zinc/58/31/27/807583127.db2.gz IVXBOYLTTPNVSG-YHUYYLMFSA-N 1 3 288.435 3.361 20 0 CGADHO CCCC[C@@H](CCC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258765082 807601729 /nfs/dbraw/zinc/60/17/29/807601729.db2.gz AXNUWXAUMHLRFY-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc(C)c(OC)cc2C)CC1 ZINC001258769472 807604480 /nfs/dbraw/zinc/60/44/80/807604480.db2.gz PDTRZOUFOUBXBU-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCc3cc(C)ccc32)CC1 ZINC001169229582 807610162 /nfs/dbraw/zinc/61/01/62/807610162.db2.gz CGZOQITZUHDANE-KRWDZBQOSA-N 1 3 258.409 3.056 20 0 CGADHO CC[NH+]1CCC(NC(C)(C)c2cccc(OC)c2)CC1 ZINC001169237882 807611253 /nfs/dbraw/zinc/61/12/53/807611253.db2.gz BJZRDYQUCOBNSA-UHFFFAOYSA-N 1 3 276.424 3.004 20 0 CGADHO CC[NH+]1CCC(NCc2cccc3ccc(C)nc32)CC1 ZINC001169244282 807613168 /nfs/dbraw/zinc/61/31/68/807613168.db2.gz LJBRMOBJGGIPQI-UHFFFAOYSA-N 1 3 283.419 3.117 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805884 807626257 /nfs/dbraw/zinc/62/62/57/807626257.db2.gz AGEZEOLIBHJTRQ-ZTOOSOLZSA-N 1 3 278.484 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805884 807626261 /nfs/dbraw/zinc/62/62/61/807626261.db2.gz AGEZEOLIBHJTRQ-ZTOOSOLZSA-N 1 3 278.484 3.475 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)n1nc(CN)c2ccccc21 ZINC001258899448 807669091 /nfs/dbraw/zinc/66/90/91/807669091.db2.gz MHPWUEMVHBGENQ-CQSZACIVSA-N 1 3 288.439 3.178 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(C(C)C)no1 ZINC001258900423 807670156 /nfs/dbraw/zinc/67/01/56/807670156.db2.gz LPRGFKPIOBUXFI-AWEZNQCLSA-N 1 3 281.444 3.398 20 0 CGADHO Cc1cc2cc(NCC34CC[NH+](CC3)CC4)ccc2cn1 ZINC001169799692 807710017 /nfs/dbraw/zinc/71/00/17/807710017.db2.gz FZGQYPGKMXANDB-UHFFFAOYSA-N 1 3 281.403 3.441 20 0 CGADHO CCCc1ccc(CN2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC001261492430 807751228 /nfs/dbraw/zinc/75/12/28/807751228.db2.gz CVNAAAGNLCYHEL-IAGOWNOFSA-N 1 3 260.425 3.198 20 0 CGADHO CCCc1ccc(CN2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC001261492431 807751457 /nfs/dbraw/zinc/75/14/57/807751457.db2.gz CVNAAAGNLCYHEL-IRXDYDNUSA-N 1 3 260.425 3.198 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001170274338 807811770 /nfs/dbraw/zinc/81/17/70/807811770.db2.gz BQEGGAIDOAEPIK-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001170274338 807811776 /nfs/dbraw/zinc/81/17/76/807811776.db2.gz BQEGGAIDOAEPIK-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO CC1(C)[C@@H]2C[C@@H](N3CCC([NH+]4CCCCC4)CC3)C[C@@H]21 ZINC001170742177 807896458 /nfs/dbraw/zinc/89/64/58/807896458.db2.gz ZFSBNCSTXNABIS-OSYLJGHBSA-N 1 3 276.468 3.371 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([NH+]3CCC(N4CCCCC4)CC3)C[C@@H]21 ZINC001170742177 807896464 /nfs/dbraw/zinc/89/64/64/807896464.db2.gz ZFSBNCSTXNABIS-OSYLJGHBSA-N 1 3 276.468 3.371 20 0 CGADHO C[NH+]1C(C)(C)CC(N2CC3(CCC3)C2)CC1(C)C ZINC001171631111 808107915 /nfs/dbraw/zinc/10/79/15/808107915.db2.gz DVRXLSMSDWYDSF-UHFFFAOYSA-N 1 3 250.430 3.124 20 0 CGADHO C[C@H]1C[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171631752 808109489 /nfs/dbraw/zinc/10/94/89/808109489.db2.gz NIIGDAKBDWISKR-KBXCAEBGSA-N 1 3 296.499 3.121 20 0 CGADHO C[C@H]1C[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171631752 808109491 /nfs/dbraw/zinc/10/94/91/808109491.db2.gz NIIGDAKBDWISKR-KBXCAEBGSA-N 1 3 296.499 3.121 20 0 CGADHO CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079762 808170688 /nfs/dbraw/zinc/17/06/88/808170688.db2.gz QXHZGXDSZZHWGZ-BJWYYQGGSA-N 1 3 258.409 3.134 20 0 CGADHO CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079762 808170693 /nfs/dbraw/zinc/17/06/93/808170693.db2.gz QXHZGXDSZZHWGZ-BJWYYQGGSA-N 1 3 258.409 3.134 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cnc2ccccn21 ZINC001172101227 808172053 /nfs/dbraw/zinc/17/20/53/808172053.db2.gz XPAGHMLMXVJYPZ-FPCVCCKLSA-N 1 3 298.434 3.000 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnc2ccccn21 ZINC001172101227 808172058 /nfs/dbraw/zinc/17/20/58/808172058.db2.gz XPAGHMLMXVJYPZ-FPCVCCKLSA-N 1 3 298.434 3.000 20 0 CGADHO CCN(CCC[NH+](C)C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172724643 808421136 /nfs/dbraw/zinc/42/11/36/808421136.db2.gz OWCFJKDCOOIUTF-MRXNPFEDSA-N 1 3 280.843 3.081 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001172837402 808453870 /nfs/dbraw/zinc/45/38/70/808453870.db2.gz MQNDAYWVJHSERB-GRYCIOLGSA-N 1 3 284.806 3.270 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172860760 808465916 /nfs/dbraw/zinc/46/59/16/808465916.db2.gz FVOQBBWCAMUVPS-GFCCVEGCSA-N 1 3 286.822 3.471 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172860760 808465920 /nfs/dbraw/zinc/46/59/20/808465920.db2.gz FVOQBBWCAMUVPS-GFCCVEGCSA-N 1 3 286.822 3.471 20 0 CGADHO CCCN(CCC[NH3+])[C@H](C)Cc1ccc(F)cc1Cl ZINC001172860760 808465923 /nfs/dbraw/zinc/46/59/23/808465923.db2.gz FVOQBBWCAMUVPS-GFCCVEGCSA-N 1 3 286.822 3.471 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172864316 808467111 /nfs/dbraw/zinc/46/71/11/808467111.db2.gz VGCJYSZXWXJTHO-LBPRGKRZSA-N 1 3 286.822 3.469 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172864316 808467116 /nfs/dbraw/zinc/46/71/16/808467116.db2.gz VGCJYSZXWXJTHO-LBPRGKRZSA-N 1 3 286.822 3.469 20 0 CGADHO CC(C)N(CCC[NH3+])[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172864316 808467122 /nfs/dbraw/zinc/46/71/22/808467122.db2.gz VGCJYSZXWXJTHO-LBPRGKRZSA-N 1 3 286.822 3.469 20 0 CGADHO CCN(CC)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173038572 808497250 /nfs/dbraw/zinc/49/72/50/808497250.db2.gz ZIYQEFSCTQCWIP-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CCC(OCCC)CC1 ZINC001173091679 808505504 /nfs/dbraw/zinc/50/55/04/808505504.db2.gz YZSFNIIZKSRTRI-UHFFFAOYSA-N 1 3 284.488 3.436 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173239875 808547610 /nfs/dbraw/zinc/54/76/10/808547610.db2.gz LMOHOKDLEVKIPM-LZQZEXGQSA-N 1 3 286.463 3.064 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173239875 808547616 /nfs/dbraw/zinc/54/76/16/808547616.db2.gz LMOHOKDLEVKIPM-LZQZEXGQSA-N 1 3 286.463 3.064 20 0 CGADHO CC[N@@H+]1CC[C@@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001173373479 808634118 /nfs/dbraw/zinc/63/41/18/808634118.db2.gz XOVSUUZLWMJAGV-ZBFHGGJFSA-N 1 3 298.434 3.118 20 0 CGADHO CC[N@H+]1CC[C@@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001173373479 808634124 /nfs/dbraw/zinc/63/41/24/808634124.db2.gz XOVSUUZLWMJAGV-ZBFHGGJFSA-N 1 3 298.434 3.118 20 0 CGADHO Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001275308020 808927547 /nfs/dbraw/zinc/92/75/47/808927547.db2.gz KUWWNMPXLBQNHF-SFHVURJKSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001275308020 808927551 /nfs/dbraw/zinc/92/75/51/808927551.db2.gz KUWWNMPXLBQNHF-SFHVURJKSA-N 1 3 290.426 3.442 20 0 CGADHO C[N@@H+]1CCCC2(CCN(Cc3ccc4ncoc4c3)CC2)C1 ZINC001275613222 808952134 /nfs/dbraw/zinc/95/21/34/808952134.db2.gz LZYVNTOIORMPKD-UHFFFAOYSA-N 1 3 299.418 3.136 20 0 CGADHO C[N@H+]1CCCC2(CCN(Cc3ccc4ncoc4c3)CC2)C1 ZINC001275613222 808952141 /nfs/dbraw/zinc/95/21/41/808952141.db2.gz LZYVNTOIORMPKD-UHFFFAOYSA-N 1 3 299.418 3.136 20 0 CGADHO CS[C@@H](C)CCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276470203 809012050 /nfs/dbraw/zinc/01/20/50/809012050.db2.gz LLAKXXMSYVHVEU-HNNXBMFYSA-N 1 3 296.524 3.468 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1F)C2 ZINC001276726281 809026470 /nfs/dbraw/zinc/02/64/70/809026470.db2.gz IHCYMJDTAHLZLN-SFHVURJKSA-N 1 3 290.426 3.176 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1F)C2 ZINC001276726281 809026474 /nfs/dbraw/zinc/02/64/74/809026474.db2.gz IHCYMJDTAHLZLN-SFHVURJKSA-N 1 3 290.426 3.176 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4c3CCC4)(C1)CCC2 ZINC001277478784 809077884 /nfs/dbraw/zinc/07/78/84/809077884.db2.gz MVILQFORNMMKTQ-RBUKOAKNSA-N 1 3 284.447 3.330 20 0 CGADHO Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)CN(C)C)cc1C ZINC001178816600 809889598 /nfs/dbraw/zinc/88/95/98/809889598.db2.gz ANNOSJSPSCFCCX-HSBSLETESA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1 ZINC001179817664 809948886 /nfs/dbraw/zinc/94/88/86/809948886.db2.gz RFGXLVVEAQEMNM-FGTMMUONSA-N 1 3 272.436 3.240 20 0 CGADHO COC1(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CCCCCC1 ZINC001179918575 809957565 /nfs/dbraw/zinc/95/75/65/809957565.db2.gz CTYXDVFKXXYCJG-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO COC1(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CCCCCC1 ZINC001179918575 809957568 /nfs/dbraw/zinc/95/75/68/809957568.db2.gz CTYXDVFKXXYCJG-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001184387757 810196435 /nfs/dbraw/zinc/19/64/35/810196435.db2.gz NEOVCZNAOVMPJR-DGXTUMSLSA-N 1 3 264.457 3.131 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)CC1 ZINC001196936380 811384577 /nfs/dbraw/zinc/38/45/77/811384577.db2.gz SHOOKWHRSWVKLT-MSOLQXFVSA-N 1 3 294.483 3.142 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC[C@@H]2CCCO2)CC1 ZINC001196936380 811384583 /nfs/dbraw/zinc/38/45/83/811384583.db2.gz SHOOKWHRSWVKLT-MSOLQXFVSA-N 1 3 294.483 3.142 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201568755 811908422 /nfs/dbraw/zinc/90/84/22/811908422.db2.gz XPJWLGXYKUXIAA-XHSDSOJGSA-N 1 3 252.446 3.371 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201568755 811908424 /nfs/dbraw/zinc/90/84/24/811908424.db2.gz XPJWLGXYKUXIAA-XHSDSOJGSA-N 1 3 252.446 3.371 20 0 CGADHO CCCN1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC001201637325 811927681 /nfs/dbraw/zinc/92/76/81/811927681.db2.gz UOVWNBWAPSLGFE-UHFFFAOYSA-N 1 3 291.439 3.132 20 0 CGADHO CCCN1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001201637325 811927684 /nfs/dbraw/zinc/92/76/84/811927684.db2.gz UOVWNBWAPSLGFE-UHFFFAOYSA-N 1 3 291.439 3.132 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C1 ZINC001201962765 811986147 /nfs/dbraw/zinc/98/61/47/811986147.db2.gz IJLQRWOGMADAGB-GVDBMIGSSA-N 1 3 282.472 3.188 20 0 CGADHO Fc1ccccc1CN1C2CC1C[NH+](Cc1ccccc1)C2 ZINC001203359862 812322697 /nfs/dbraw/zinc/32/26/97/812322697.db2.gz MFPKHZREGICVKZ-ROUUACIJSA-N 1 3 296.389 3.284 20 0 CGADHO CCCCN1CCC([N@H+](C)Cc2ccc(O)cc2)CC1 ZINC001204099088 812550525 /nfs/dbraw/zinc/55/05/25/812550525.db2.gz NOOIYDHDWFDZDU-UHFFFAOYSA-N 1 3 276.424 3.089 20 0 CGADHO CCCCN1CCC([N@@H+](C)Cc2ccc(O)cc2)CC1 ZINC001204099088 812550529 /nfs/dbraw/zinc/55/05/29/812550529.db2.gz NOOIYDHDWFDZDU-UHFFFAOYSA-N 1 3 276.424 3.089 20 0 CGADHO COc1ccc2sc(CN3CCC[C@H]([NH3+])CC3)cc2c1 ZINC001205124269 812876712 /nfs/dbraw/zinc/87/67/12/812876712.db2.gz MTWHSDVFVHWVCM-ZDUSSCGKSA-N 1 3 290.432 3.223 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130899 812880561 /nfs/dbraw/zinc/88/05/61/812880561.db2.gz OGTYDFRBUWPFJR-OWCLPIDISA-N 1 3 284.488 3.135 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130899 812880571 /nfs/dbraw/zinc/88/05/71/812880571.db2.gz OGTYDFRBUWPFJR-OWCLPIDISA-N 1 3 284.488 3.135 20 0 CGADHO Cc1ccc2c(c1)CN(Cc1ccc(C[NH3+])cc1)CC2 ZINC001205164984 812895373 /nfs/dbraw/zinc/89/53/73/812895373.db2.gz ZDHAMISLURZPAG-UHFFFAOYSA-N 1 3 266.388 3.012 20 0 CGADHO COc1ccc(CN2CCC[C@@](C)([NH3+])CC2)c(C)c1C ZINC001205255574 812919179 /nfs/dbraw/zinc/91/91/79/812919179.db2.gz KIKINVWAFVBODG-QGZVFWFLSA-N 1 3 276.424 3.015 20 0 CGADHO C[C@H]1CC[N@H+](CCC(C)(C)c2ccccc2)C[C@@H]1CN ZINC001205295954 812936337 /nfs/dbraw/zinc/93/63/37/812936337.db2.gz DDVANNMJNKQDJI-HOTGVXAUSA-N 1 3 274.452 3.271 20 0 CGADHO C[C@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@@H]1CN ZINC001205295954 812936342 /nfs/dbraw/zinc/93/63/42/812936342.db2.gz DDVANNMJNKQDJI-HOTGVXAUSA-N 1 3 274.452 3.271 20 0 CGADHO CC(C)=CCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC001205397486 812978177 /nfs/dbraw/zinc/97/81/77/812978177.db2.gz XVULOTOGVGUINR-UHFFFAOYSA-N 1 3 252.446 3.443 20 0 CGADHO COC1(C[N@H+](C)CCCN2CCCC2)CCCCCC1 ZINC001205535321 812996189 /nfs/dbraw/zinc/99/61/89/812996189.db2.gz KXHYXAGYNKLCRW-UHFFFAOYSA-N 1 3 282.472 3.144 20 0 CGADHO COC1(C[N@@H+](C)CCCN2CCCC2)CCCCCC1 ZINC001205535321 812996193 /nfs/dbraw/zinc/99/61/93/812996193.db2.gz KXHYXAGYNKLCRW-UHFFFAOYSA-N 1 3 282.472 3.144 20 0 CGADHO C[C@H]1CCN(Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC001205602025 813017809 /nfs/dbraw/zinc/01/78/09/813017809.db2.gz HQNJZUDJYAWQSP-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1F ZINC001205616787 813026109 /nfs/dbraw/zinc/02/61/09/813026109.db2.gz GXMWCOBOTSOXKG-DGCLKSJQSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C(F)(F)F)o2)CC[C@H]1C[NH3+] ZINC001205639560 813038275 /nfs/dbraw/zinc/03/82/75/813038275.db2.gz ZXNTXBGYQYRBNW-QWRGUYRKSA-N 1 3 290.329 3.105 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901960 813124868 /nfs/dbraw/zinc/12/48/68/813124868.db2.gz GLGWDZWGJJGREJ-GOEBONIOSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001205904157 813126511 /nfs/dbraw/zinc/12/65/11/813126511.db2.gz SKWTWFZLTMLOOT-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904157 813126514 /nfs/dbraw/zinc/12/65/14/813126514.db2.gz SKWTWFZLTMLOOT-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1CCCc1cccc(Cl)c1 ZINC001205904157 813126516 /nfs/dbraw/zinc/12/65/16/813126516.db2.gz SKWTWFZLTMLOOT-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCCC1CCCCC1 ZINC001205904740 813128273 /nfs/dbraw/zinc/12/82/73/813128273.db2.gz XCBYCVYGUIFEIL-GDBMZVCRSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCCC1CCCCC1 ZINC001205904740 813128275 /nfs/dbraw/zinc/12/82/75/813128275.db2.gz XCBYCVYGUIFEIL-GDBMZVCRSA-N 1 3 252.446 3.406 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCC[C@H](C[NH3+])[C@H]1C ZINC001205912790 813129818 /nfs/dbraw/zinc/12/98/18/813129818.db2.gz CKDOEWZGABAHER-ZIAGYGMSSA-N 1 3 264.388 3.002 20 0 CGADHO C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)CCC[C@H]1C[NH3+] ZINC001206012044 813164899 /nfs/dbraw/zinc/16/48/99/813164899.db2.gz IDTNVTVCTHKBON-ZBFHGGJFSA-N 1 3 299.418 3.148 20 0 CGADHO CCSc1ccccc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206212958 813242173 /nfs/dbraw/zinc/24/21/73/813242173.db2.gz TZUGEFSGJXRBIE-ZIAGYGMSSA-N 1 3 282.428 3.060 20 0 CGADHO CCSc1ccccc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206212958 813242177 /nfs/dbraw/zinc/24/21/77/813242177.db2.gz TZUGEFSGJXRBIE-ZIAGYGMSSA-N 1 3 282.428 3.060 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(Cl)ccc2F)CC1 ZINC001206303164 813278927 /nfs/dbraw/zinc/27/89/27/813278927.db2.gz CCRVRUXPVZSGAI-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC001206304189 813280483 /nfs/dbraw/zinc/28/04/83/813280483.db2.gz GYRWPXXOASHJNJ-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC001206304888 813281368 /nfs/dbraw/zinc/28/13/68/813281368.db2.gz QNFZTTSDHDKPTF-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc3cccnc3c2)C1 ZINC001206549581 813349277 /nfs/dbraw/zinc/34/92/77/813349277.db2.gz OXMZNRBQQMYKFI-GOSISDBHSA-N 1 3 283.419 3.186 20 0 CGADHO Cc1cc(F)cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206592232 813367170 /nfs/dbraw/zinc/36/71/70/813367170.db2.gz YZNFPZRXUGOPFB-KRWDZBQOSA-N 1 3 278.415 3.487 20 0 CGADHO Cc1sccc1CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597722 813369776 /nfs/dbraw/zinc/36/97/76/813369776.db2.gz FNEBLACXSINKKD-OAHLLOKOSA-N 1 3 266.454 3.409 20 0 CGADHO CC(C)(CC[N@@H+]1CCCC[C@@H](CN)C1)c1ccccc1 ZINC001206606531 813372685 /nfs/dbraw/zinc/37/26/85/813372685.db2.gz OHGCCDUQPVNESS-INIZCTEOSA-N 1 3 274.452 3.415 20 0 CGADHO CC(C)(CC[N@H+]1CCCC[C@@H](CN)C1)c1ccccc1 ZINC001206606531 813372690 /nfs/dbraw/zinc/37/26/90/813372690.db2.gz OHGCCDUQPVNESS-INIZCTEOSA-N 1 3 274.452 3.415 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206624841 813378103 /nfs/dbraw/zinc/37/81/03/813378103.db2.gz YWYMICDYDALCLO-INIZCTEOSA-N 1 3 295.430 3.309 20 0 CGADHO CCCc1ccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)s1 ZINC001206769684 813431944 /nfs/dbraw/zinc/43/19/44/813431944.db2.gz PGCXDHSPFOICCQ-STQMWFEESA-N 1 3 266.454 3.260 20 0 CGADHO C[NH+]1CCC(CN2CCC[C@@H]2c2c(F)cccc2F)CC1 ZINC001207399615 813556689 /nfs/dbraw/zinc/55/66/89/813556689.db2.gz PFCOJQFQFJDZPW-MRXNPFEDSA-N 1 3 294.389 3.444 20 0 CGADHO CCNc1ccccc1C[N@H+](C)CC(C)(C)CN(C)C ZINC001207738782 813642285 /nfs/dbraw/zinc/64/22/85/813642285.db2.gz LXQJTUYXJHTZTB-UHFFFAOYSA-N 1 3 277.456 3.138 20 0 CGADHO CCNc1ccccc1C[N@@H+](C)CC(C)(C)CN(C)C ZINC001207738782 813642289 /nfs/dbraw/zinc/64/22/89/813642289.db2.gz LXQJTUYXJHTZTB-UHFFFAOYSA-N 1 3 277.456 3.138 20 0 CGADHO CC/C=C\CCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001208138669 813704971 /nfs/dbraw/zinc/70/49/71/813704971.db2.gz QVTSMVRSHZPFSK-PLNGDYQASA-N 1 3 250.430 3.291 20 0 CGADHO Cc1ccc([C@H](C)CCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC001208149735 813708558 /nfs/dbraw/zinc/70/85/58/813708558.db2.gz AUWMLYHEZCDWRQ-OAHLLOKOSA-N 1 3 299.418 3.299 20 0 CGADHO Cc1ccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)[nH]1 ZINC001222110124 816349205 /nfs/dbraw/zinc/34/92/05/816349205.db2.gz YFKJPUVPZWSIHG-UHFFFAOYSA-N 1 3 289.467 3.459 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CC[C@]3(C2)CCCNC3)C1(C)C ZINC001222141712 816358390 /nfs/dbraw/zinc/35/83/90/816358390.db2.gz QUTBQJFOQGCCJO-FUHWJXTLSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CC[C@]3(C2)CCCNC3)C1(C)C ZINC001222141712 816358398 /nfs/dbraw/zinc/35/83/98/816358398.db2.gz QUTBQJFOQGCCJO-FUHWJXTLSA-N 1 3 276.468 3.444 20 0 CGADHO Cc1ccc(F)cc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222316426 816407103 /nfs/dbraw/zinc/40/71/03/816407103.db2.gz WDUDDDSGJZTRQL-QGZVFWFLSA-N 1 3 276.399 3.242 20 0 CGADHO Cn1cc(CN2CCC3(CCC[NH2+]C3)CC2)c2ccccc21 ZINC001222453152 816448664 /nfs/dbraw/zinc/44/86/64/816448664.db2.gz SJHBXVCUGZDRMP-UHFFFAOYSA-N 1 3 297.446 3.144 20 0 CGADHO Cc1ccc(OC(C)C)c(CN2CCC(F)(C[NH3+])CC2)c1 ZINC001222542213 816465467 /nfs/dbraw/zinc/46/54/67/816465467.db2.gz BQUSZFHUXGETNW-UHFFFAOYSA-N 1 3 294.414 3.045 20 0 CGADHO Cc1cc(CN2CCC(F)(C[NH3+])CC2)cc(C)c1Cl ZINC001222552888 816466190 /nfs/dbraw/zinc/46/61/90/816466190.db2.gz KVECNAIYUSQWDW-UHFFFAOYSA-N 1 3 284.806 3.220 20 0 CGADHO C[C@@H]1C[N@H+](Cc2cc(F)cc(CN(C)C)c2)C2(CC2)C1 ZINC001232148365 818264384 /nfs/dbraw/zinc/26/43/84/818264384.db2.gz CGHXGLSLMWEHOS-ZDUSSCGKSA-N 1 3 276.399 3.262 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2cc(F)cc(CN(C)C)c2)C2(CC2)C1 ZINC001232148365 818264391 /nfs/dbraw/zinc/26/43/91/818264391.db2.gz CGHXGLSLMWEHOS-ZDUSSCGKSA-N 1 3 276.399 3.262 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cc(Cl)cs3)C2)CC1 ZINC001232280445 818305074 /nfs/dbraw/zinc/30/50/74/818305074.db2.gz OZQYDUXLTYGQIR-UHFFFAOYSA-N 1 3 284.856 3.319 20 0 CGADHO CN(Cc1ccc(C(F)(F)F)o1)CC1CC[NH+](C)CC1 ZINC001232444600 818350980 /nfs/dbraw/zinc/35/09/80/818350980.db2.gz ZTHPOSNBZZJPHF-UHFFFAOYSA-N 1 3 290.329 3.072 20 0 CGADHO c1cc2c(c(CN3CCC[C@@]4(CCC[NH2+]4)CC3)c1)CCC2 ZINC001235039560 818986426 /nfs/dbraw/zinc/98/64/26/818986426.db2.gz VLSNFTGRRVPWDY-IBGZPJMESA-N 1 3 284.447 3.283 20 0 CGADHO Cc1cc(CN2CCC3(C2)CC[NH2+]CC3)c(F)cc1Cl ZINC001235094005 818998847 /nfs/dbraw/zinc/99/88/47/818998847.db2.gz WJZLXHHWARRKBH-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO CCCc1ccc(CN2CCCC23CC[NH2+]CC3)s1 ZINC001235140189 819014952 /nfs/dbraw/zinc/01/49/52/819014952.db2.gz GDPPNXSCVRQYTJ-UHFFFAOYSA-N 1 3 278.465 3.419 20 0 CGADHO CCCc1ccc(C[N@@H+]2CCCC23CCNCC3)s1 ZINC001235140189 819014956 /nfs/dbraw/zinc/01/49/56/819014956.db2.gz GDPPNXSCVRQYTJ-UHFFFAOYSA-N 1 3 278.465 3.419 20 0 CGADHO CCCc1ccc(C[N@H+]2CCCC23CCNCC3)s1 ZINC001235140189 819014960 /nfs/dbraw/zinc/01/49/60/819014960.db2.gz GDPPNXSCVRQYTJ-UHFFFAOYSA-N 1 3 278.465 3.419 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3(N)C2)c2ccccc12 ZINC001235157380 819019354 /nfs/dbraw/zinc/01/93/54/819019354.db2.gz DBAOIWPNTVIKRT-MAUKXSAKSA-N 1 3 266.388 3.071 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@]3(N)C2)c2ccccc12 ZINC001235157380 819019357 /nfs/dbraw/zinc/01/93/57/819019357.db2.gz DBAOIWPNTVIKRT-MAUKXSAKSA-N 1 3 266.388 3.071 20 0 CGADHO Cc1cc(CN2CCCCC23CC[NH2+]CC3)c(C)s1 ZINC001235189754 819029445 /nfs/dbraw/zinc/02/94/45/819029445.db2.gz ANBFQDYZJNVSQF-UHFFFAOYSA-N 1 3 278.465 3.473 20 0 CGADHO Cc1cc(C[N@@H+]2CCCCC23CCNCC3)c(C)s1 ZINC001235189754 819029451 /nfs/dbraw/zinc/02/94/51/819029451.db2.gz ANBFQDYZJNVSQF-UHFFFAOYSA-N 1 3 278.465 3.473 20 0 CGADHO Cc1cc(C[N@H+]2CCCCC23CCNCC3)c(C)s1 ZINC001235189754 819029454 /nfs/dbraw/zinc/02/94/54/819029454.db2.gz ANBFQDYZJNVSQF-UHFFFAOYSA-N 1 3 278.465 3.473 20 0 CGADHO c1ccc(-c2ccccc2CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193553 819032810 /nfs/dbraw/zinc/03/28/10/819032810.db2.gz OYAPKNGCULTRSU-IEBWSBKVSA-N 1 3 292.426 3.395 20 0 CGADHO CC(C)(CCN1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC001235253196 819050189 /nfs/dbraw/zinc/05/01/89/819050189.db2.gz CILZVDAIWTXDCS-RDJZCZTQSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)(CN1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)Sc1ccc(Cl)cc1 ZINC001235282904 819061445 /nfs/dbraw/zinc/06/14/45/819061445.db2.gz LBXVEBVTLQMEQT-BTTYYORXSA-N 1 3 296.867 3.100 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@H+](CCC2CC2)CC3)cc1 ZINC001235365270 819080607 /nfs/dbraw/zinc/08/06/07/819080607.db2.gz NLFXUVDTFJZOLW-MOPGFXCFSA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](CCC2CC2)CC3)cc1 ZINC001235365270 819080611 /nfs/dbraw/zinc/08/06/11/819080611.db2.gz NLFXUVDTFJZOLW-MOPGFXCFSA-N 1 3 284.447 3.040 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)cc1C ZINC001235407470 819087150 /nfs/dbraw/zinc/08/71/50/819087150.db2.gz SBJFMIIDGDMFMU-MSOLQXFVSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)cc1C ZINC001235407470 819087155 /nfs/dbraw/zinc/08/71/55/819087155.db2.gz SBJFMIIDGDMFMU-MSOLQXFVSA-N 1 3 290.426 3.135 20 0 CGADHO CN(CCC[NH3+])Cc1ccccc1-c1cccs1 ZINC001235435759 819099578 /nfs/dbraw/zinc/09/95/78/819099578.db2.gz XWBLDQUMIAXEOG-UHFFFAOYSA-N 1 3 260.406 3.196 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@H](CN)C1 ZINC001235674295 819135456 /nfs/dbraw/zinc/13/54/56/819135456.db2.gz REDIOLJZXBLNCP-HZPDHXFCSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@H](CN)C1 ZINC001235674295 819135459 /nfs/dbraw/zinc/13/54/59/819135459.db2.gz REDIOLJZXBLNCP-HZPDHXFCSA-N 1 3 252.446 3.430 20 0 CGADHO c1ccc(C[C@@H]2CC[N@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235713438 819148672 /nfs/dbraw/zinc/14/86/72/819148672.db2.gz AEXHEVALQYGBPT-SFHVURJKSA-N 1 3 292.426 3.354 20 0 CGADHO c1ccc(C[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235713438 819148674 /nfs/dbraw/zinc/14/86/74/819148674.db2.gz AEXHEVALQYGBPT-SFHVURJKSA-N 1 3 292.426 3.354 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccccc2CCc2ccccc2)C1 ZINC001235748882 819160148 /nfs/dbraw/zinc/16/01/48/819160148.db2.gz DXYSSFOPNMQCRZ-GOSISDBHSA-N 1 3 294.442 3.252 20 0 CGADHO CCn1ccc2c1cccc2C[N@H+](CC)C1CCNCC1 ZINC001235761515 819161094 /nfs/dbraw/zinc/16/10/94/819161094.db2.gz LXVSUJSMRKFHAM-UHFFFAOYSA-N 1 3 285.435 3.235 20 0 CGADHO CCn1ccc2c1cccc2C[N@@H+](CC)C1CCNCC1 ZINC001235761515 819161099 /nfs/dbraw/zinc/16/10/99/819161099.db2.gz LXVSUJSMRKFHAM-UHFFFAOYSA-N 1 3 285.435 3.235 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894109 819203830 /nfs/dbraw/zinc/20/38/30/819203830.db2.gz ZXPWBSNXKNNTKW-WMZOPIPTSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894109 819203834 /nfs/dbraw/zinc/20/38/34/819203834.db2.gz ZXPWBSNXKNNTKW-WMZOPIPTSA-N 1 3 290.451 3.185 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001235927922 819226117 /nfs/dbraw/zinc/22/61/17/819226117.db2.gz OXLDPSKHTHAUPP-ZDUSSCGKSA-N 1 3 264.438 3.158 20 0 CGADHO CC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001235927922 819226120 /nfs/dbraw/zinc/22/61/20/819226120.db2.gz OXLDPSKHTHAUPP-ZDUSSCGKSA-N 1 3 264.438 3.158 20 0 CGADHO Fc1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235942857 819234431 /nfs/dbraw/zinc/23/44/31/819234431.db2.gz YHKIQNIWMOUQKY-HIFRSBDPSA-N 1 3 284.378 3.020 20 0 CGADHO C[C@H](CC[N@H+](C)C[C@H]1CCCNC1)CC(C)(C)C ZINC001235950662 819241946 /nfs/dbraw/zinc/24/19/46/819241946.db2.gz KYPKMDOAPGFIPU-CABCVRRESA-N 1 3 254.462 3.380 20 0 CGADHO C[C@H](CC[N@@H+](C)C[C@H]1CCCNC1)CC(C)(C)C ZINC001235950662 819241954 /nfs/dbraw/zinc/24/19/54/819241954.db2.gz KYPKMDOAPGFIPU-CABCVRRESA-N 1 3 254.462 3.380 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989718 819262244 /nfs/dbraw/zinc/26/22/44/819262244.db2.gz JOTNJSOTRHKKHT-VQIMIIECSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989718 819262251 /nfs/dbraw/zinc/26/22/51/819262251.db2.gz JOTNJSOTRHKKHT-VQIMIIECSA-N 1 3 296.389 3.416 20 0 CGADHO c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CCC2CCCCC2)C3)cc1 ZINC001236007870 819272014 /nfs/dbraw/zinc/27/20/14/819272014.db2.gz ZXLNIHVKDJICSM-UXHICEINSA-N 1 3 298.474 3.430 20 0 CGADHO c1c(C[NH+]2CC3CCC(CC3)C2)sc2c1CNCC2 ZINC001236089005 819309460 /nfs/dbraw/zinc/30/94/60/819309460.db2.gz LTTOIKVVESMHRK-UHFFFAOYSA-N 1 3 276.449 3.016 20 0 CGADHO CCN(CCCCCC[NH3+])Cc1cccc(F)c1F ZINC001236240037 819399874 /nfs/dbraw/zinc/39/98/74/819399874.db2.gz HZDRQBJUDNENEO-UHFFFAOYSA-N 1 3 270.367 3.306 20 0 CGADHO CC[C@H](C)C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236370362 819439520 /nfs/dbraw/zinc/43/95/20/819439520.db2.gz DRIIPMBVPMOMDP-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](C)C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236370362 819439522 /nfs/dbraw/zinc/43/95/22/819439522.db2.gz DRIIPMBVPMOMDP-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414643 819460017 /nfs/dbraw/zinc/46/00/17/819460017.db2.gz LOUGRWIIUVDVJE-FUHWJXTLSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414643 819460019 /nfs/dbraw/zinc/46/00/19/819460019.db2.gz LOUGRWIIUVDVJE-FUHWJXTLSA-N 1 3 290.451 3.185 20 0 CGADHO C[NH+](C)Cc1cccc(-c2cncc3cc[nH]c32)c1 ZINC001236418998 819464761 /nfs/dbraw/zinc/46/47/61/819464761.db2.gz JZNAAFMKYXTDJI-UHFFFAOYSA-N 1 3 251.333 3.292 20 0 CGADHO Cc1cc(F)cc(CN(C[C@H]2C[C@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481552 819497853 /nfs/dbraw/zinc/49/78/53/819497853.db2.gz WYTOHIFBYDQCGB-GDBMZVCRSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@@H+](C[C@H]2C[C@H]2C)C2CCNCC2)c1 ZINC001236481552 819497856 /nfs/dbraw/zinc/49/78/56/819497856.db2.gz WYTOHIFBYDQCGB-GDBMZVCRSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@H+](C[C@H]2C[C@H]2C)C2CCNCC2)c1 ZINC001236481552 819497859 /nfs/dbraw/zinc/49/78/59/819497859.db2.gz WYTOHIFBYDQCGB-GDBMZVCRSA-N 1 3 290.426 3.344 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001236584892 819545717 /nfs/dbraw/zinc/54/57/17/819545717.db2.gz ZSYDCVGBRKWMEI-BBWFWOEESA-N 1 3 276.468 3.443 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001236584892 819545722 /nfs/dbraw/zinc/54/57/22/819545722.db2.gz ZSYDCVGBRKWMEI-BBWFWOEESA-N 1 3 276.468 3.443 20 0 CGADHO C(CC1CCCC1)C[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584545 819545950 /nfs/dbraw/zinc/54/59/50/819545950.db2.gz LLUMGDPBXUTTRM-MRXNPFEDSA-N 1 3 264.457 3.421 20 0 CGADHO C(CC1CCCC1)C[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001236584545 819545955 /nfs/dbraw/zinc/54/59/55/819545955.db2.gz LLUMGDPBXUTTRM-MRXNPFEDSA-N 1 3 264.457 3.421 20 0 CGADHO CCCN(Cc1cccc(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236834285 819613327 /nfs/dbraw/zinc/61/33/27/819613327.db2.gz GMOZMUKVCSSFTJ-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO CCCN(Cc1c[nH]c2c1cccc2C)C[C@H]1CC[NH2+]C1 ZINC001236833438 819613850 /nfs/dbraw/zinc/61/38/50/819613850.db2.gz BHFYZCADSJSYJH-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1c(C)cccc1CC)C[C@H]1CC[NH2+]C1 ZINC001236844168 819620185 /nfs/dbraw/zinc/62/01/85/819620185.db2.gz UNCLEDLSSPJBGF-INIZCTEOSA-N 1 3 274.452 3.379 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1ccc(F)c2ccoc21 ZINC001236905143 819635553 /nfs/dbraw/zinc/63/55/53/819635553.db2.gz LGSVFGKJAKAZFY-UHFFFAOYSA-N 1 3 290.382 3.490 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1ccc(F)c2ccoc21 ZINC001236905143 819635558 /nfs/dbraw/zinc/63/55/58/819635558.db2.gz LGSVFGKJAKAZFY-UHFFFAOYSA-N 1 3 290.382 3.490 20 0 CGADHO CC(C)c1cccc(CN2CC3(C2)CC[NH+](C)CC3)c1 ZINC001237458397 819755192 /nfs/dbraw/zinc/75/51/92/819755192.db2.gz AFXHXXNXSQDSLX-UHFFFAOYSA-N 1 3 272.436 3.338 20 0 CGADHO Cc1nc(-c2ccc3c(c2)CC[NH2+]C3)cc2[nH]ccc21 ZINC001240455054 821066155 /nfs/dbraw/zinc/06/61/55/821066155.db2.gz WCLNIUOAVICJLV-UHFFFAOYSA-N 1 3 263.344 3.184 20 0 CGADHO CC(C)C1=NCCc2ccc(C3=CC[N@H+](C)CC3)cc21 ZINC001241330567 821737518 /nfs/dbraw/zinc/73/75/18/821737518.db2.gz VNAJAQAINJYVDC-UHFFFAOYSA-N 1 3 268.404 3.407 20 0 CGADHO CC(C)C1=NCCc2ccc(C3=CC[N@@H+](C)CC3)cc21 ZINC001241330567 821737522 /nfs/dbraw/zinc/73/75/22/821737522.db2.gz VNAJAQAINJYVDC-UHFFFAOYSA-N 1 3 268.404 3.407 20 0 CGADHO CC(C)C1=[NH+]CCc2ccc(C3=CCN(C)CC3)cc21 ZINC001241330567 821737525 /nfs/dbraw/zinc/73/75/25/821737525.db2.gz VNAJAQAINJYVDC-UHFFFAOYSA-N 1 3 268.404 3.407 20 0 CGADHO CC[NH+](CC)Cc1ccc(-c2cccc(CN)n2)cc1 ZINC001241574262 821961193 /nfs/dbraw/zinc/96/11/93/821961193.db2.gz WMLVICIBGAGSOL-UHFFFAOYSA-N 1 3 269.392 3.049 20 0 CGADHO Cc1cnc(-c2cccc(C[NH+]3CCCC3)c2)cc1N ZINC001242117544 822884038 /nfs/dbraw/zinc/88/40/38/822884038.db2.gz ONRFXNPJLOBSQU-UHFFFAOYSA-N 1 3 267.376 3.235 20 0 CGADHO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC001350637009 936997339 /nfs/dbraw/zinc/99/73/39/936997339.db2.gz VVEYHRKAHJKACR-JFIYKMOQSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC001350637009 936997340 /nfs/dbraw/zinc/99/73/40/936997340.db2.gz VVEYHRKAHJKACR-JFIYKMOQSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001459925746 937506493 /nfs/dbraw/zinc/50/64/93/937506493.db2.gz SRXBHPAGBDNSQW-VQHPVUNQSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001460803340 937546127 /nfs/dbraw/zinc/54/61/27/937546127.db2.gz XFEWMJATSHSTQY-AWEZNQCLSA-N 1 3 273.424 3.028 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001460803340 937546130 /nfs/dbraw/zinc/54/61/30/937546130.db2.gz XFEWMJATSHSTQY-AWEZNQCLSA-N 1 3 273.424 3.028 20 0 CGADHO CC[C@H](C)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC001460750813 937543035 /nfs/dbraw/zinc/54/30/35/937543035.db2.gz WCXDNNJLXBMHLH-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO Cc1cc(C)c(/C=C\CNC[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001461636600 937589761 /nfs/dbraw/zinc/58/97/61/937589761.db2.gz HAASMHIRHRPGRR-CTEOGUNLSA-N 1 3 272.436 3.309 20 0 CGADHO Cc1cc(C)c(/C=C\CNC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001461636600 937589762 /nfs/dbraw/zinc/58/97/62/937589762.db2.gz HAASMHIRHRPGRR-CTEOGUNLSA-N 1 3 272.436 3.309 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)c1ccccc1 ZINC001461832101 937600592 /nfs/dbraw/zinc/60/05/92/937600592.db2.gz RXBRAYRBPCYRMV-YDZRNGNQSA-N 1 3 286.463 3.356 20 0 CGADHO c1cc(N2CCC[N@@H+](CC34CCC(CC3)C4)CC2)ccn1 ZINC001307875248 933013839 /nfs/dbraw/zinc/01/38/39/933013839.db2.gz JJKUZCALXNBUSI-UHFFFAOYSA-N 1 3 285.435 3.174 20 0 CGADHO c1cc(N2CCC[N@H+](CC34CCC(CC3)C4)CC2)ccn1 ZINC001307875248 933013846 /nfs/dbraw/zinc/01/38/46/933013846.db2.gz JJKUZCALXNBUSI-UHFFFAOYSA-N 1 3 285.435 3.174 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CN3CCC2CC3)C1 ZINC001462637421 937656231 /nfs/dbraw/zinc/65/62/31/937656231.db2.gz UTKAKDOVKMLGPS-BFYDXBDKSA-N 1 3 264.457 3.134 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001462670014 937658569 /nfs/dbraw/zinc/65/85/69/937658569.db2.gz PGORSIXYBOFRGR-FVCCEPFGSA-N 1 3 278.362 3.037 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308554335 933131546 /nfs/dbraw/zinc/13/15/46/933131546.db2.gz OGWOHJQVQZEZOB-XGXHKWSGSA-N 1 3 286.463 3.185 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC34CCCCC4)[C@@H]2C1 ZINC001308985036 933223497 /nfs/dbraw/zinc/22/34/97/933223497.db2.gz VYGZNAREOZFYRV-VVLHAWIVSA-N 1 3 276.468 3.419 20 0 CGADHO Cc1c[nH+]c2ccccc2c1N1CCN(C2CCC2)CC1 ZINC001319212324 933843806 /nfs/dbraw/zinc/84/38/06/933843806.db2.gz JPAKBBRZRQXEGT-UHFFFAOYSA-N 1 3 281.403 3.218 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC001319382578 933865970 /nfs/dbraw/zinc/86/59/70/933865970.db2.gz GMLIVWJIPAYJDM-KGLIPLIRSA-N 1 3 294.414 3.217 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755715 933927821 /nfs/dbraw/zinc/92/78/21/933927821.db2.gz REPIWUOFWXWUBP-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC001319911568 933956440 /nfs/dbraw/zinc/95/64/40/933956440.db2.gz MDNNHQIDMGATQG-ZIAGYGMSSA-N 1 3 294.414 3.217 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@@H]2CCC[C@@H]21 ZINC001322071549 934239205 /nfs/dbraw/zinc/23/92/05/934239205.db2.gz WRDRAJSIELUBDZ-FHWLQOOXSA-N 1 3 284.447 3.138 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@@H]2CCC[C@@H]21 ZINC001322071549 934239213 /nfs/dbraw/zinc/23/92/13/934239213.db2.gz WRDRAJSIELUBDZ-FHWLQOOXSA-N 1 3 284.447 3.138 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323904348 934437324 /nfs/dbraw/zinc/43/73/24/934437324.db2.gz NWHGHVQLUJWXMJ-YESZJQIVSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001323904348 934437325 /nfs/dbraw/zinc/43/73/25/934437325.db2.gz NWHGHVQLUJWXMJ-YESZJQIVSA-N 1 3 264.457 3.373 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1Cl ZINC001325743064 934926525 /nfs/dbraw/zinc/92/65/25/934926525.db2.gz JCIUWCPCCKPLGC-XHDPSFHLSA-N 1 3 284.806 3.129 20 0 CGADHO [NH3+]CCCCCCN1CCC(C(=O)c2cccs2)CC1 ZINC001328731370 935164194 /nfs/dbraw/zinc/16/41/94/935164194.db2.gz XIZLMEXAAWCSDR-UHFFFAOYSA-N 1 3 294.464 3.162 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564109 935228235 /nfs/dbraw/zinc/22/82/35/935228235.db2.gz DUSHWQSWRUNLTD-QWHCGFSZSA-N 1 3 297.393 3.402 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)ccc1Cl ZINC001474301433 937849214 /nfs/dbraw/zinc/84/92/14/937849214.db2.gz KHFVTNDDNXCNAX-IIAWOOMASA-N 1 3 278.827 3.078 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)ccc1Cl ZINC001474301436 937849531 /nfs/dbraw/zinc/84/95/31/937849531.db2.gz KHFVTNDDNXCNAX-SQWLQELKSA-N 1 3 278.827 3.078 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551237998 938178389 /nfs/dbraw/zinc/17/83/89/938178389.db2.gz FVIOSCHXWOXAFH-RZZCCWGQSA-N 1 3 294.483 3.188 20 0 CGADHO FC1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC001553024366 938195803 /nfs/dbraw/zinc/19/58/03/938195803.db2.gz ZQUXCAYMPCDSDE-CKUJCDMFSA-N 1 3 268.420 3.025 20 0 CGADHO CC1(C)[C@H](NC2CC(c3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC001553023596 938195881 /nfs/dbraw/zinc/19/58/81/938195881.db2.gz YGUGZRJMHVZASB-YXYCDRMUSA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001553023596 938195882 /nfs/dbraw/zinc/19/58/82/938195882.db2.gz YGUGZRJMHVZASB-YXYCDRMUSA-N 1 3 284.447 3.299 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3cccc(F)c3)C1)[NH2+]2 ZINC001553025324 938196174 /nfs/dbraw/zinc/19/61/74/938196174.db2.gz CARIBLFMEMZQFX-YMCRMQOVSA-N 1 3 288.410 3.190 20 0 CGADHO Cc1ccc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)c1 ZINC001560108954 938244414 /nfs/dbraw/zinc/24/44/14/938244414.db2.gz PSFXFKBYYPTZRG-QGZVFWFLSA-N 1 3 295.430 3.409 20 0 CGADHO CCN(CCC[NH+]1CCCC1)CCc1ccc(C)cc1 ZINC001560811509 938277211 /nfs/dbraw/zinc/27/72/11/938277211.db2.gz NJUNGTHIDGVFTC-UHFFFAOYSA-N 1 3 274.452 3.345 20 0 CGADHO Cc1c(Cl)cccc1CNC[C@@H]1C[NH+]2CCC1CC2 ZINC001561034497 938290477 /nfs/dbraw/zinc/29/04/77/938290477.db2.gz SFOZYRPTWRPWNG-OAHLLOKOSA-N 1 3 278.827 3.080 20 0 CGADHO CCCN1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001258773738 960428785 /nfs/dbraw/zinc/42/87/85/960428785.db2.gz AISJXCQLWCXCIP-GFCCVEGCSA-N 1 3 278.362 3.135 20 0 CGADHO CCCN1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001258773738 960428790 /nfs/dbraw/zinc/42/87/90/960428790.db2.gz AISJXCQLWCXCIP-GFCCVEGCSA-N 1 3 278.362 3.135 20 0 CGADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001579467543 960483856 /nfs/dbraw/zinc/48/38/56/960483856.db2.gz NLUWXAGLLRSPKU-CBBWQLFWSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)(C)[C@H]1CCCC[C@@H]1C[NH2+]CC12CC(C1)CN2 ZINC001575120088 962356052 /nfs/dbraw/zinc/35/60/52/962356052.db2.gz QRTPEWWSOWTBFS-DGNOSDGRSA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)(C)[C@H]1CCCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC001575120088 962356068 /nfs/dbraw/zinc/35/60/68/962356068.db2.gz QRTPEWWSOWTBFS-DGNOSDGRSA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)[C@H](CN)C[N@H+](CC1CC1)C1CCCCC1 ZINC001575421617 962364352 /nfs/dbraw/zinc/36/43/52/962364352.db2.gz ACIYMXRUDMWYQS-OAHLLOKOSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+](CC1CC1)C1CCCCC1 ZINC001575421617 962364372 /nfs/dbraw/zinc/36/43/72/962364372.db2.gz ACIYMXRUDMWYQS-OAHLLOKOSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)(C[NH3+])CN1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001575315869 962365278 /nfs/dbraw/zinc/36/52/78/962365278.db2.gz ZFIPFKTXEKFRON-UHFFFAOYSA-N 1 3 285.435 3.332 20 0 CGADHO CC(C)[C@H](C[NH3+])CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC001575423468 962376642 /nfs/dbraw/zinc/37/66/42/962376642.db2.gz USYDZANBWWHASQ-CYBMUJFWSA-N 1 3 288.357 3.368 20 0 CGADHO CCC(C)(C)CC[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001576941355 962502688 /nfs/dbraw/zinc/50/26/88/962502688.db2.gz FXWDOJZJXNVYSK-GOEBONIOSA-N 1 3 252.446 3.264 20 0 CGADHO CCC(C)(C)CC[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001576941355 962502700 /nfs/dbraw/zinc/50/27/00/962502700.db2.gz FXWDOJZJXNVYSK-GOEBONIOSA-N 1 3 252.446 3.264 20 0 CGADHO CCCOc1ccc(CN(C)CC(C)(C)C[NH3+])c(C)c1 ZINC001577583496 962551486 /nfs/dbraw/zinc/55/14/86/962551486.db2.gz TUQGCIUWGPCLNL-UHFFFAOYSA-N 1 3 278.440 3.201 20 0 CGADHO CN(Cc1cccc(C(C)(C)C)c1)CC(C)(C)C[NH3+] ZINC001578493406 962591955 /nfs/dbraw/zinc/59/19/55/962591955.db2.gz VFMYXOCNPNHRRT-UHFFFAOYSA-N 1 3 262.441 3.401 20 0 CGADHO Cc1ccccc1[C@H]1CCCN1CCC[NH2+]C1CC1 ZINC001579795440 962671071 /nfs/dbraw/zinc/67/10/71/962671071.db2.gz SQKHALUQGPDXQP-QGZVFWFLSA-N 1 3 258.409 3.274 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1CCCNC1CC1 ZINC001579795440 962671079 /nfs/dbraw/zinc/67/10/79/962671079.db2.gz SQKHALUQGPDXQP-QGZVFWFLSA-N 1 3 258.409 3.274 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1CCCNC1CC1 ZINC001579795440 962671085 /nfs/dbraw/zinc/67/10/85/962671085.db2.gz SQKHALUQGPDXQP-QGZVFWFLSA-N 1 3 258.409 3.274 20 0 CGADHO [NH3+]CCCN(C[C@@H]1CC1(Cl)Cl)CC1CCCC1 ZINC001580297459 962712773 /nfs/dbraw/zinc/71/27/73/962712773.db2.gz STCNIRSQBBBOQY-LBPRGKRZSA-N 1 3 279.255 3.021 20 0 CGADHO COCC[C@H]1CCC[C@@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000337391960 214048534 /nfs/dbraw/zinc/04/85/34/214048534.db2.gz AWHXPAQPCGEQPU-SJORKVTESA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644386 398261652 /nfs/dbraw/zinc/26/16/52/398261652.db2.gz PSSOVKFLUSFBRI-WMLDXEAASA-N 1 3 272.436 3.090 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644386 398261653 /nfs/dbraw/zinc/26/16/53/398261653.db2.gz PSSOVKFLUSFBRI-WMLDXEAASA-N 1 3 272.436 3.090 20 0 CGADHO C[C@H]([NH2+]CC1CC(C)C1)c1cccc(OCCN(C)C)c1 ZINC000621771349 349584429 /nfs/dbraw/zinc/58/44/29/349584429.db2.gz DIOQOSKRGKVBBG-PCKAHOCUSA-N 1 3 290.451 3.324 20 0 CGADHO c1cc2c(c(C[NH2+]C3CCN(CC4CC4)CC3)c1)CCC2 ZINC000651682120 398268365 /nfs/dbraw/zinc/26/83/65/398268365.db2.gz MREPVABBKZXUPG-UHFFFAOYSA-N 1 3 284.447 3.139 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000651864856 398297919 /nfs/dbraw/zinc/29/79/19/398297919.db2.gz HCUSJKRIBVLVIX-HNNXBMFYSA-N 1 3 299.462 3.203 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000651864856 398297924 /nfs/dbraw/zinc/29/79/24/398297924.db2.gz HCUSJKRIBVLVIX-HNNXBMFYSA-N 1 3 299.462 3.203 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)C[C@@H](C)O1 ZINC000337996601 214351671 /nfs/dbraw/zinc/35/16/71/214351671.db2.gz KQESNHVQOPUXME-XYVMCAHJSA-N 1 3 294.483 3.044 20 0 CGADHO CC[N@H+](CCCN[C@H]1CCCOCC1)C1CCCCC1 ZINC000651910237 398304829 /nfs/dbraw/zinc/30/48/29/398304829.db2.gz MHUGJKZZEMECLY-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CCCOCC1)C1CCCCC1 ZINC000651910237 398304831 /nfs/dbraw/zinc/30/48/31/398304831.db2.gz MHUGJKZZEMECLY-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CC(C)CCOCCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590818865 346878838 /nfs/dbraw/zinc/87/88/38/346878838.db2.gz DEEQQEWVIIXJHZ-UHFFFAOYSA-N 1 3 284.488 3.101 20 0 CGADHO CC(C)CCOCCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590818865 346878840 /nfs/dbraw/zinc/87/88/40/346878840.db2.gz DEEQQEWVIIXJHZ-UHFFFAOYSA-N 1 3 284.488 3.101 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423476939 529453555 /nfs/dbraw/zinc/45/35/55/529453555.db2.gz SXFOPUVGRCFMDI-MJVIPROJSA-N 1 3 254.805 3.159 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456599 529569218 /nfs/dbraw/zinc/56/92/18/529569218.db2.gz DRYYFXRVMMAAMD-DGCLKSJQSA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1C ZINC000423526051 529591533 /nfs/dbraw/zinc/59/15/33/529591533.db2.gz KZGVVHYGIVEASU-NAHCFFHBSA-N 1 3 276.468 3.164 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317805 529611442 /nfs/dbraw/zinc/61/14/42/529611442.db2.gz KPVIVNOUPCPTBZ-KGLIPLIRSA-N 1 3 284.350 3.066 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(Cl)c1 ZINC000423313564 529611504 /nfs/dbraw/zinc/61/15/04/529611504.db2.gz FWBVNNLQPCOFHQ-KGLIPLIRSA-N 1 3 252.789 3.118 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H]1CC1(C)C ZINC000423388233 529629123 /nfs/dbraw/zinc/62/91/23/529629123.db2.gz NIFUMLVAKJMRDG-HOTGVXAUSA-N 1 3 258.409 3.204 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(Br)c1 ZINC000423315889 529619087 /nfs/dbraw/zinc/61/90/87/529619087.db2.gz JGEAOXAZZLCGMD-KBPBESRZSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623414715 349802467 /nfs/dbraw/zinc/80/24/67/349802467.db2.gz NISGNSFOPRMUJC-UNEWFSDZSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414715 349802470 /nfs/dbraw/zinc/80/24/70/349802470.db2.gz NISGNSFOPRMUJC-UNEWFSDZSA-N 1 3 272.436 3.382 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCc2cc3ccccc3o2)CC1(C)C ZINC000623427713 349805890 /nfs/dbraw/zinc/80/58/90/349805890.db2.gz KADHYKAZQGWUPG-OAHLLOKOSA-N 1 3 286.419 3.438 20 0 CGADHO C[N@H+]1CC[C@@H](NCCc2cc3ccccc3o2)CC1(C)C ZINC000623427713 349805893 /nfs/dbraw/zinc/80/58/93/349805893.db2.gz KADHYKAZQGWUPG-OAHLLOKOSA-N 1 3 286.419 3.438 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000623656632 349858395 /nfs/dbraw/zinc/85/83/95/349858395.db2.gz YTAPSTCMKYMFEK-AWEZNQCLSA-N 1 3 298.377 3.110 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000623657474 349859700 /nfs/dbraw/zinc/85/97/00/349859700.db2.gz RLPAXQNLVCTABW-OAHLLOKOSA-N 1 3 272.392 3.254 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623656146 349856429 /nfs/dbraw/zinc/85/64/29/349856429.db2.gz OBSBWSFHBZYIFR-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CN(Cc1cccc2ccoc21)C[C@H]1CCC[N@H+](C)C1 ZINC000449017991 529996750 /nfs/dbraw/zinc/99/67/50/529996750.db2.gz ZVXIZRIRSLSWCF-AWEZNQCLSA-N 1 3 272.392 3.206 20 0 CGADHO CN(Cc1cccc2ccoc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000449017991 529996751 /nfs/dbraw/zinc/99/67/51/529996751.db2.gz ZVXIZRIRSLSWCF-AWEZNQCLSA-N 1 3 272.392 3.206 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423270699 529998881 /nfs/dbraw/zinc/99/88/81/529998881.db2.gz IDAUVJOFXXSMPG-AVGNSLFASA-N 1 3 291.464 3.233 20 0 CGADHO Cc1cc(C(C)(C)C)cc(C)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107576500 345934399 /nfs/dbraw/zinc/93/43/99/345934399.db2.gz JDGGYZRKRNGNBQ-HZPDHXFCSA-N 1 3 286.463 3.252 20 0 CGADHO CC(C)[C@H](C[NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000389031287 346571844 /nfs/dbraw/zinc/57/18/44/346571844.db2.gz DDDSRRPCASDDAI-RDJZCZTQSA-N 1 3 262.441 3.214 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)CC1(F)CC1 ZINC000584865465 346719232 /nfs/dbraw/zinc/71/92/32/346719232.db2.gz DDEYBBNHTICNRE-UHFFFAOYSA-N 1 3 264.388 3.072 20 0 CGADHO c1cnc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2c1 ZINC000589642127 346805905 /nfs/dbraw/zinc/80/59/05/346805905.db2.gz AUCPIRPBXJNJGJ-UHFFFAOYSA-N 1 3 295.430 3.199 20 0 CGADHO CCSC1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000596653931 347499065 /nfs/dbraw/zinc/49/90/65/347499065.db2.gz XXNFAWJRRAUGBM-SOUVJXGZSA-N 1 3 282.497 3.173 20 0 CGADHO CCSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000596653931 347499068 /nfs/dbraw/zinc/49/90/68/347499068.db2.gz XXNFAWJRRAUGBM-SOUVJXGZSA-N 1 3 282.497 3.173 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624119915 349977507 /nfs/dbraw/zinc/97/75/07/349977507.db2.gz MEVJADJTFQFDHT-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1sccc1C[NH2+]CC1(CN(C)C)CCCC1 ZINC000339347829 215110544 /nfs/dbraw/zinc/11/05/44/215110544.db2.gz FTLQOGBZOUDAIR-UHFFFAOYSA-N 1 3 266.454 3.268 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120318 349977611 /nfs/dbraw/zinc/97/76/11/349977611.db2.gz WCOUUYKSMYPOAN-WMZOPIPTSA-N 1 3 274.452 3.329 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000624120660 349978854 /nfs/dbraw/zinc/97/88/54/349978854.db2.gz DOVZTHIXBMTIQD-PVAVHDDUSA-N 1 3 264.457 3.277 20 0 CGADHO CCSCC[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000602728016 348019462 /nfs/dbraw/zinc/01/94/62/348019462.db2.gz HDZHAKQDDOKZMS-WBVHZDCISA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602728016 348019465 /nfs/dbraw/zinc/01/94/65/348019465.db2.gz HDZHAKQDDOKZMS-WBVHZDCISA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602728016 348019467 /nfs/dbraw/zinc/01/94/67/348019467.db2.gz HDZHAKQDDOKZMS-WBVHZDCISA-N 1 3 292.492 3.097 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(C)c1 ZINC000624124062 349982895 /nfs/dbraw/zinc/98/28/95/349982895.db2.gz WFJUIGJFOFJMOW-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000358141839 233064099 /nfs/dbraw/zinc/06/40/99/233064099.db2.gz ZXEVZMXXFRUDKS-LSDHHAIUSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000358141839 233064101 /nfs/dbraw/zinc/06/41/01/233064101.db2.gz ZXEVZMXXFRUDKS-LSDHHAIUSA-N 1 3 296.817 3.238 20 0 CGADHO CC[N@@H+]1CC[C@H](NCC2(C(F)(F)F)CCCC2)[C@H](C)C1 ZINC000624272647 350016214 /nfs/dbraw/zinc/01/62/14/350016214.db2.gz NOVGXTWHNUZOFO-OLZOCXBDSA-N 1 3 292.389 3.429 20 0 CGADHO CC[N@H+]1CC[C@H](NCC2(C(F)(F)F)CCCC2)[C@H](C)C1 ZINC000624272647 350016215 /nfs/dbraw/zinc/01/62/15/350016215.db2.gz NOVGXTWHNUZOFO-OLZOCXBDSA-N 1 3 292.389 3.429 20 0 CGADHO CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000625318631 350158230 /nfs/dbraw/zinc/15/82/30/350158230.db2.gz FTCKQPFTYQCALJ-YXJHDRRASA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000625318631 350158231 /nfs/dbraw/zinc/15/82/31/350158231.db2.gz FTCKQPFTYQCALJ-YXJHDRRASA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318631 350158236 /nfs/dbraw/zinc/15/82/36/350158236.db2.gz FTCKQPFTYQCALJ-YXJHDRRASA-N 1 3 294.483 3.044 20 0 CGADHO Cc1nc(C)c(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000628202601 350438023 /nfs/dbraw/zinc/43/80/23/350438023.db2.gz AEFIDPWITAKROS-ZIAGYGMSSA-N 1 3 293.455 3.139 20 0 CGADHO Cc1ccc([C@@H](C)C[NH2+]CCCN2CCCC2)cc1 ZINC000628232569 350454102 /nfs/dbraw/zinc/45/41/02/350454102.db2.gz DHCNRJCIUHHTQQ-INIZCTEOSA-N 1 3 260.425 3.174 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1cc(F)cc(F)c1 ZINC000628425885 350536569 /nfs/dbraw/zinc/53/65/69/350536569.db2.gz YKKXTEUQBRZMCC-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@H](CNC[C@@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425885 350536572 /nfs/dbraw/zinc/53/65/72/350536572.db2.gz YKKXTEUQBRZMCC-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@H](CNC[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425885 350536576 /nfs/dbraw/zinc/53/65/76/350536576.db2.gz YKKXTEUQBRZMCC-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000629531203 350704065 /nfs/dbraw/zinc/70/40/65/350704065.db2.gz DFSWLCJYIKTUFF-FZKCQIBNSA-N 1 3 270.461 3.076 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN2)CC1 ZINC000629531376 350704175 /nfs/dbraw/zinc/70/41/75/350704175.db2.gz ITYFAWLHEDLUQK-VQHPVUNQSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@H](NCCOCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000629537408 350705850 /nfs/dbraw/zinc/70/58/50/350705850.db2.gz HUCTXAXWWUEXLT-JTQLQIEISA-N 1 3 291.222 3.009 20 0 CGADHO C[C@H](NCCOCCC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000629540351 350706797 /nfs/dbraw/zinc/70/67/97/350706797.db2.gz OVPQVVXTHGKRLC-INIZCTEOSA-N 1 3 298.430 3.370 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC23CC3)c2ccccc21 ZINC000629554537 350711886 /nfs/dbraw/zinc/71/18/86/350711886.db2.gz KNJLKFQTWVPZCI-DAXOMENPSA-N 1 3 256.393 3.301 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556584 350713181 /nfs/dbraw/zinc/71/31/81/350713181.db2.gz TVZLAMPIGHWJLS-MNOVXSKESA-N 1 3 279.815 3.079 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565455 350713634 /nfs/dbraw/zinc/71/36/34/350713634.db2.gz VTJFSVCHZZQKJU-MQYQWHSLSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629565455 350713638 /nfs/dbraw/zinc/71/36/38/350713638.db2.gz VTJFSVCHZZQKJU-MQYQWHSLSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629565455 350713642 /nfs/dbraw/zinc/71/36/42/350713642.db2.gz VTJFSVCHZZQKJU-MQYQWHSLSA-N 1 3 292.389 3.272 20 0 CGADHO CC(C)C[C@H](C)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564259 350714130 /nfs/dbraw/zinc/71/41/30/350714130.db2.gz SFQCNKOWBFKBIJ-AVGNSLFASA-N 1 3 280.378 3.128 20 0 CGADHO CCC[C@@H](NCC1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631578604 351074909 /nfs/dbraw/zinc/07/49/09/351074909.db2.gz XDWNLWRKLLKRCY-MRXNPFEDSA-N 1 3 275.440 3.163 20 0 CGADHO c1cnc2cccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2c1 ZINC000634687941 351573629 /nfs/dbraw/zinc/57/36/29/351573629.db2.gz DEPLHYPUFIFZMP-KXBFYZLASA-N 1 3 295.430 3.199 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634734168 351579796 /nfs/dbraw/zinc/57/97/96/351579796.db2.gz YNDJSMUMLVUPJQ-DZGCQCFKSA-N 1 3 280.481 3.437 20 0 CGADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000635020423 351632637 /nfs/dbraw/zinc/63/26/37/351632637.db2.gz LFMMJOCSJCNQKX-CYBMUJFWSA-N 1 3 284.378 3.322 20 0 CGADHO CCC(C)(C)CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000635024487 351633867 /nfs/dbraw/zinc/63/38/67/351633867.db2.gz YWDZOVOTRSQKSU-LBPRGKRZSA-N 1 3 263.429 3.326 20 0 CGADHO c1ccc([C@@H]2CN(CC34CC(C3)C[NH2+]4)[C@H]3CCCC[C@@H]23)cc1 ZINC000634995121 351619118 /nfs/dbraw/zinc/61/91/18/351619118.db2.gz VQOWAJMXKVFJLV-IJGLDNNQSA-N 1 3 296.458 3.397 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006200 351624746 /nfs/dbraw/zinc/62/47/46/351624746.db2.gz LFAMXBSRKQSJBG-HZPDHXFCSA-N 1 3 260.425 3.115 20 0 CGADHO Fc1cccc2c1CC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635008888 351626692 /nfs/dbraw/zinc/62/66/92/351626692.db2.gz HNYOZJONHWAGLS-LJQANCHMSA-N 1 3 296.389 3.249 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H](c2cccnc2)C2CCC2)C1 ZINC000635009961 351628103 /nfs/dbraw/zinc/62/81/03/351628103.db2.gz IHEVEMKJQKJIND-DLBZAZTESA-N 1 3 287.451 3.291 20 0 CGADHO CCC[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009920 351628245 /nfs/dbraw/zinc/62/82/45/351628245.db2.gz XERXZXHEWCOCSU-RTBURBONSA-N 1 3 297.446 3.473 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCc3sccc32)C1 ZINC000635011135 351629406 /nfs/dbraw/zinc/62/94/06/351629406.db2.gz MKXNOIVYHNLYJD-OCCSQVGLSA-N 1 3 278.465 3.493 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000635011847 351629657 /nfs/dbraw/zinc/62/96/57/351629657.db2.gz PNQZQJINXUYDPE-QLFBSQMISA-N 1 3 270.436 3.273 20 0 CGADHO COc1cccc2c1CC[C@@H]2N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013358 351631451 /nfs/dbraw/zinc/63/14/51/351631451.db2.gz YBVKKWNUJLSMSI-BBRMVZONSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000271458464 191151230 /nfs/dbraw/zinc/15/12/30/191151230.db2.gz HJEKAGQEJUWMCU-NPCAHTBFSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@H](CCSc1ccccc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000153492212 188085242 /nfs/dbraw/zinc/08/52/42/188085242.db2.gz ZXPSNPIZDDXPAW-HZPDHXFCSA-N 1 3 292.492 3.441 20 0 CGADHO Cc1cnc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)s1 ZINC000369347060 234370435 /nfs/dbraw/zinc/37/04/35/234370435.db2.gz DRPWVMDJVCFJFS-HNNXBMFYSA-N 1 3 293.480 3.115 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H](C)c1ccccc1 ZINC000271891776 191392877 /nfs/dbraw/zinc/39/28/77/191392877.db2.gz SCYWINWGEGUFMZ-LSDHHAIUSA-N 1 3 258.409 3.030 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H](C)c1ccccc1 ZINC000271891765 191393652 /nfs/dbraw/zinc/39/36/52/191393652.db2.gz SCYWINWGEGUFMZ-CABCVRRESA-N 1 3 258.409 3.030 20 0 CGADHO Fc1cccc(CCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420379974 235746061 /nfs/dbraw/zinc/74/60/61/235746061.db2.gz BXIDVHFCRFSVDN-AEFFLSMTSA-N 1 3 290.426 3.222 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423099845 235972938 /nfs/dbraw/zinc/97/29/38/235972938.db2.gz UJTGUKSQQXRDOV-DARAHFNDSA-N 1 3 278.827 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](c1cccs1)C1CCCC1 ZINC000423227417 236002362 /nfs/dbraw/zinc/00/23/62/236002362.db2.gz VQDZFDKICNRCFI-FZMZJTMJSA-N 1 3 252.427 3.306 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423301889 236031007 /nfs/dbraw/zinc/03/10/07/236031007.db2.gz IMGJRBSPQXEYGC-CABCVRRESA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423301889 236031008 /nfs/dbraw/zinc/03/10/08/236031008.db2.gz IMGJRBSPQXEYGC-CABCVRRESA-N 1 3 298.352 3.151 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423308565 236033441 /nfs/dbraw/zinc/03/34/41/236033441.db2.gz OVPKJOCPQOHLHV-RDTXWAMCSA-N 1 3 286.394 3.294 20 0 CGADHO COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423314388 236034764 /nfs/dbraw/zinc/03/47/64/236034764.db2.gz GXSGIUFOCMETBU-ZWKOTPCHSA-N 1 3 290.451 3.499 20 0 CGADHO N[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314688 236035451 /nfs/dbraw/zinc/03/54/51/236035451.db2.gz HNJCWINMMQCMGE-LSDHHAIUSA-N 1 3 264.800 3.044 20 0 CGADHO [NH3+][C@H](CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423319600 236036802 /nfs/dbraw/zinc/03/68/02/236036802.db2.gz LSLPZTMVUBHUQF-VNQPRFMTSA-N 1 3 278.827 3.303 20 0 CGADHO N[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321210 236038263 /nfs/dbraw/zinc/03/82/63/236038263.db2.gz NBFNRNNAQCRZFU-GJZGRUSLSA-N 1 3 264.800 3.118 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423333979 236041894 /nfs/dbraw/zinc/04/18/94/236041894.db2.gz FJPJYAPUUUOJFE-NSHDSACASA-N 1 3 284.325 3.276 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423383452 236058045 /nfs/dbraw/zinc/05/80/45/236058045.db2.gz FFGNDDBUVSBWHK-LZDSYCOUSA-N 1 3 276.399 3.037 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423392233 236061382 /nfs/dbraw/zinc/06/13/82/236061382.db2.gz LMHKPAIFDWZMHZ-YZVOILCLSA-N 1 3 295.430 3.397 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000423393422 236061874 /nfs/dbraw/zinc/06/18/74/236061874.db2.gz MFSAQPUKAKYWCA-NCOADZHNSA-N 1 3 287.451 3.004 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423364429 236051800 /nfs/dbraw/zinc/05/18/00/236051800.db2.gz AQHJLXXKVSBCOO-XKQJLSEDSA-N 1 3 298.434 3.101 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423368587 236053262 /nfs/dbraw/zinc/05/32/62/236053262.db2.gz BEOGKZIQEQSIFB-VYDXJSESSA-N 1 3 272.436 3.411 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000423398356 236063098 /nfs/dbraw/zinc/06/30/98/236063098.db2.gz VHCLOAWTNVNHLW-NTZNESFSSA-N 1 3 264.438 3.028 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc2c1CNC2 ZINC000423406097 236065140 /nfs/dbraw/zinc/06/51/40/236065140.db2.gz YMRNKVISXHUCAX-MAUKXSAKSA-N 1 3 270.420 3.348 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCCC23CCCC3)cc2c1CNC2 ZINC000423406941 236066803 /nfs/dbraw/zinc/06/68/03/236066803.db2.gz ZMAJLECKDUQXRN-QGZVFWFLSA-N 1 3 270.420 3.492 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423446135 236073256 /nfs/dbraw/zinc/07/32/56/236073256.db2.gz NZZLZTJDVYGDLP-BHDSKKPTSA-N 1 3 286.341 3.482 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCCC1=CC[NH2+]CC1 ZINC000423564859 236098786 /nfs/dbraw/zinc/09/87/86/236098786.db2.gz SFHPUOBPFRYPRO-LBPRGKRZSA-N 1 3 294.826 3.309 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375304 236158291 /nfs/dbraw/zinc/15/82/91/236158291.db2.gz MQDVQFQUCQMKCO-MORSLUCNSA-N 1 3 298.434 3.101 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424375304 236158293 /nfs/dbraw/zinc/15/82/93/236158293.db2.gz MQDVQFQUCQMKCO-MORSLUCNSA-N 1 3 298.434 3.101 20 0 CGADHO C[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cccnc1 ZINC000092739408 299290023 /nfs/dbraw/zinc/29/00/23/299290023.db2.gz VSOHGPYEPZLRHX-ULQDDVLXSA-N 1 3 289.467 3.490 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000177887764 189076597 /nfs/dbraw/zinc/07/65/97/189076597.db2.gz WSTREONORZGMRT-GVDBMIGSSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000177887764 189076598 /nfs/dbraw/zinc/07/65/98/189076598.db2.gz WSTREONORZGMRT-GVDBMIGSSA-N 1 3 290.451 3.001 20 0 CGADHO CC[N@H+](CC[C@@H]1CCCN1C)Cc1cccs1 ZINC000178441969 189116916 /nfs/dbraw/zinc/11/69/16/189116916.db2.gz CCDMCWCWMDTVEV-ZDUSSCGKSA-N 1 3 252.427 3.054 20 0 CGADHO CC[N@@H+](CC[C@@H]1CCCN1C)Cc1cccs1 ZINC000178441969 189116917 /nfs/dbraw/zinc/11/69/17/189116917.db2.gz CCDMCWCWMDTVEV-ZDUSSCGKSA-N 1 3 252.427 3.054 20 0 CGADHO COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000179631559 189208187 /nfs/dbraw/zinc/20/81/87/189208187.db2.gz FRJJNGKKDSBLNO-HNNXBMFYSA-N 1 3 298.430 3.232 20 0 CGADHO COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000179631559 189208188 /nfs/dbraw/zinc/20/81/88/189208188.db2.gz FRJJNGKKDSBLNO-HNNXBMFYSA-N 1 3 298.430 3.232 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850576 189337324 /nfs/dbraw/zinc/33/73/24/189337324.db2.gz LHHROMZZNUGNMK-WMZOPIPTSA-N 1 3 290.426 3.174 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850576 189337325 /nfs/dbraw/zinc/33/73/25/189337325.db2.gz LHHROMZZNUGNMK-WMZOPIPTSA-N 1 3 290.426 3.174 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850576 189337326 /nfs/dbraw/zinc/33/73/26/189337326.db2.gz LHHROMZZNUGNMK-WMZOPIPTSA-N 1 3 290.426 3.174 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850576 189337327 /nfs/dbraw/zinc/33/73/27/189337327.db2.gz LHHROMZZNUGNMK-WMZOPIPTSA-N 1 3 290.426 3.174 20 0 CGADHO Cc1cncc([C@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000184396718 189385307 /nfs/dbraw/zinc/38/53/07/189385307.db2.gz MSQVBQNWNNOISH-AWEZNQCLSA-N 1 3 275.440 3.304 20 0 CGADHO CCc1c(C)[nH+]c2ccccc2c1N(C)CCN(C)C ZINC000302043176 201317055 /nfs/dbraw/zinc/31/70/55/201317055.db2.gz OJEGTHXIIIALPF-UHFFFAOYSA-N 1 3 271.408 3.103 20 0 CGADHO Cc1ccc2nccc(N(C)CC3CC[NH+](C)CC3)c2c1 ZINC000302142878 201364288 /nfs/dbraw/zinc/36/42/88/201364288.db2.gz FXPZASDVFZKKGH-UHFFFAOYSA-N 1 3 283.419 3.321 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000449222951 239252835 /nfs/dbraw/zinc/25/28/35/239252835.db2.gz XEOKWHYCQNDTJK-CQSZACIVSA-N 1 3 272.392 3.062 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120534080 370778925 /nfs/dbraw/zinc/77/89/25/370778925.db2.gz UGNRRFWFVMFVDH-DYEKYZERSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120534080 370778928 /nfs/dbraw/zinc/77/89/28/370778928.db2.gz UGNRRFWFVMFVDH-DYEKYZERSA-N 1 3 298.377 3.421 20 0 CGADHO Clc1ccc([C@H]2CC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335617769 212331179 /nfs/dbraw/zinc/33/11/79/212331179.db2.gz ZQBGIZBAPFEVHD-XJKSGUPXSA-N 1 3 278.827 3.318 20 0 CGADHO CC(C)c1ncc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335543083 212241889 /nfs/dbraw/zinc/24/18/89/212241889.db2.gz HYZWCVNQBHQRPZ-ZDUSSCGKSA-N 1 3 293.480 3.231 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000335498511 212177739 /nfs/dbraw/zinc/17/77/39/212177739.db2.gz OAGNQRSSDYXJNY-FWFPMQDGSA-N 1 3 282.790 3.195 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000477908561 243058594 /nfs/dbraw/zinc/05/85/94/243058594.db2.gz CGHYFSWHSWVAFU-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120698 243094884 /nfs/dbraw/zinc/09/48/84/243094884.db2.gz UCGXLPMAMUNPCS-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335488221 212164523 /nfs/dbraw/zinc/16/45/23/212164523.db2.gz POLCDRQFBRGJCB-IKWCTNDRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000482550646 243232574 /nfs/dbraw/zinc/23/25/74/243232574.db2.gz JTDGWTGASHBWQU-HNNXBMFYSA-N 1 3 292.467 3.194 20 0 CGADHO C(CC1CCCC1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000483235262 243268632 /nfs/dbraw/zinc/26/86/32/243268632.db2.gz KZXKAKKDBHEQDK-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCCC1)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000483235262 243268637 /nfs/dbraw/zinc/26/86/37/243268637.db2.gz KZXKAKKDBHEQDK-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCCC1)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000483235262 243268642 /nfs/dbraw/zinc/26/86/42/243268642.db2.gz KZXKAKKDBHEQDK-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO CC[N@@H+]1CCC[C@@H]1CNCc1ccc2ccccc2c1 ZINC000019959427 368790742 /nfs/dbraw/zinc/79/07/42/368790742.db2.gz JLYXHBXRQSWXGF-GOSISDBHSA-N 1 3 268.404 3.414 20 0 CGADHO CC[N@H+]1CCC[C@@H]1CNCc1ccc2ccccc2c1 ZINC000019959427 368790747 /nfs/dbraw/zinc/79/07/47/368790747.db2.gz JLYXHBXRQSWXGF-GOSISDBHSA-N 1 3 268.404 3.414 20 0 CGADHO CN(Cc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000036301387 369015113 /nfs/dbraw/zinc/01/51/13/369015113.db2.gz DPICUKLRFSCWPU-UHFFFAOYSA-N 1 3 254.377 3.024 20 0 CGADHO C[N@H+](Cc1cccc2ccccc21)C1CCNCC1 ZINC000036301387 369015120 /nfs/dbraw/zinc/01/51/20/369015120.db2.gz DPICUKLRFSCWPU-UHFFFAOYSA-N 1 3 254.377 3.024 20 0 CGADHO C[N@@H+](Cc1cccc2ccccc21)C1CCNCC1 ZINC000036301387 369015128 /nfs/dbraw/zinc/01/51/28/369015128.db2.gz DPICUKLRFSCWPU-UHFFFAOYSA-N 1 3 254.377 3.024 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908180 369036834 /nfs/dbraw/zinc/03/68/34/369036834.db2.gz IXDJTMHCCFPVMH-DYEKYZERSA-N 1 3 298.377 3.106 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(OC)cc2)CC1 ZINC000037149921 369069411 /nfs/dbraw/zinc/06/94/11/369069411.db2.gz LLUSBORJVUKWMQ-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000037644155 369092642 /nfs/dbraw/zinc/09/26/42/369092642.db2.gz KQLUNVXWSMHONR-UONOGXRCSA-N 1 3 272.392 3.425 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649539 369097336 /nfs/dbraw/zinc/09/73/36/369097336.db2.gz YBXQMSMLDGNBCZ-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649539 369097341 /nfs/dbraw/zinc/09/73/41/369097341.db2.gz YBXQMSMLDGNBCZ-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037718973 369102227 /nfs/dbraw/zinc/10/22/27/369102227.db2.gz PARNXEBGXKXRMZ-UHFFFAOYSA-N 1 3 281.403 3.149 20 0 CGADHO CCCc1csc(CNC2CCC(C[NH+](C)C)CC2)n1 ZINC000494172190 535448076 /nfs/dbraw/zinc/44/80/76/535448076.db2.gz LFQULHUJXRIDLM-UHFFFAOYSA-N 1 3 295.496 3.306 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000042296020 369210689 /nfs/dbraw/zinc/21/06/89/369210689.db2.gz USRPBMGBFNKHQE-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNC[C@H]2CCC=CO2)cc1 ZINC000050267691 369433738 /nfs/dbraw/zinc/43/37/38/369433738.db2.gz XKMDHHQCVKDCQB-GOSISDBHSA-N 1 3 288.435 3.311 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCNC(C)(C)COCc1ccccc1 ZINC000337291926 376196426 /nfs/dbraw/zinc/19/64/26/376196426.db2.gz FNMQRJSRVVKXDH-QGZVFWFLSA-N 1 3 290.451 3.056 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCNC(C)(C)COCc1ccccc1 ZINC000337291926 376196432 /nfs/dbraw/zinc/19/64/32/376196432.db2.gz FNMQRJSRVVKXDH-QGZVFWFLSA-N 1 3 290.451 3.056 20 0 CGADHO C(=C/c1ccccc1)\CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200101 369643806 /nfs/dbraw/zinc/64/38/06/369643806.db2.gz NYDBRIQLBMMRFS-MOTZXUDYSA-N 1 3 270.420 3.164 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072858418 369841515 /nfs/dbraw/zinc/84/15/15/369841515.db2.gz KECIZFYXJNRHCV-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072858418 369841516 /nfs/dbraw/zinc/84/15/16/369841516.db2.gz KECIZFYXJNRHCV-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)CN1CCCC1 ZINC000081625369 369998803 /nfs/dbraw/zinc/99/88/03/369998803.db2.gz WWHZOWZYLPTTTH-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@H]1C[C@H](NCc2csc3ccccc23)CC[N@@H+]1C ZINC000090721146 370065011 /nfs/dbraw/zinc/06/50/11/370065011.db2.gz QFRBMBZTQITXHO-TZMCWYRMSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@H](NCc2csc3ccccc23)CC[N@H+]1C ZINC000090721146 370065015 /nfs/dbraw/zinc/06/50/15/370065015.db2.gz QFRBMBZTQITXHO-TZMCWYRMSA-N 1 3 274.433 3.474 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043666 370089791 /nfs/dbraw/zinc/08/97/91/370089791.db2.gz FXSNIVCKDZMDQW-YJBOKZPZSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043666 370089795 /nfs/dbraw/zinc/08/97/95/370089795.db2.gz FXSNIVCKDZMDQW-YJBOKZPZSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043666 370089798 /nfs/dbraw/zinc/08/97/98/370089798.db2.gz FXSNIVCKDZMDQW-YJBOKZPZSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043666 370089800 /nfs/dbraw/zinc/08/98/00/370089800.db2.gz FXSNIVCKDZMDQW-YJBOKZPZSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278722 370357232 /nfs/dbraw/zinc/35/72/32/370357232.db2.gz MTBALKKTGWXVFA-DOPJRALCSA-N 1 3 266.388 3.052 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513203895 245068896 /nfs/dbraw/zinc/06/88/96/245068896.db2.gz MDNCJTXLMFUNMO-JQHSSLGASA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513203895 245068897 /nfs/dbraw/zinc/06/88/97/245068897.db2.gz MDNCJTXLMFUNMO-JQHSSLGASA-N 1 3 296.499 3.170 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000130230888 371020094 /nfs/dbraw/zinc/02/00/94/371020094.db2.gz VXGPIDLPKGLRHB-OAHLLOKOSA-N 1 3 260.425 3.438 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376259 296164328 /nfs/dbraw/zinc/16/43/28/296164328.db2.gz LAPVGZRRLCQOLZ-FMKPAKJESA-N 1 3 260.425 3.083 20 0 CGADHO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376259 296164329 /nfs/dbraw/zinc/16/43/29/296164329.db2.gz LAPVGZRRLCQOLZ-FMKPAKJESA-N 1 3 260.425 3.083 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000131521961 371113979 /nfs/dbraw/zinc/11/39/79/371113979.db2.gz YSXZXPFIZNAGGC-UHFFFAOYSA-N 1 3 282.378 3.446 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc2ccccc2c1 ZINC000131738742 371126227 /nfs/dbraw/zinc/12/62/27/371126227.db2.gz DOSDGTXNXXVGER-UKRRQHHQSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000131738742 371126230 /nfs/dbraw/zinc/12/62/30/371126230.db2.gz DOSDGTXNXXVGER-UKRRQHHQSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131738742 371126232 /nfs/dbraw/zinc/12/62/32/371126232.db2.gz DOSDGTXNXXVGER-UKRRQHHQSA-N 1 3 254.377 3.009 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000132154091 371154585 /nfs/dbraw/zinc/15/45/85/371154585.db2.gz YGIQZWWSICUKOZ-HNNXBMFYSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]1C[C@H](NCCc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133315435 371243186 /nfs/dbraw/zinc/24/31/86/371243186.db2.gz HUSPRXIVCTZQRK-CHWSQXEVSA-N 1 3 295.496 3.055 20 0 CGADHO C[C@@H]1C[C@H](NCCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133315435 371243194 /nfs/dbraw/zinc/24/31/94/371243194.db2.gz HUSPRXIVCTZQRK-CHWSQXEVSA-N 1 3 295.496 3.055 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986487 371293765 /nfs/dbraw/zinc/29/37/65/371293765.db2.gz FIYLFDAKMJFDIL-OWCLPIDISA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986487 371293767 /nfs/dbraw/zinc/29/37/67/371293767.db2.gz FIYLFDAKMJFDIL-OWCLPIDISA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000133685232 371271633 /nfs/dbraw/zinc/27/16/33/371271633.db2.gz XNIQTKXYIHKRNH-KBXCAEBGSA-N 1 3 272.436 3.358 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000147854118 371519637 /nfs/dbraw/zinc/51/96/37/371519637.db2.gz CNEOCOJWHVMMIL-LERXQTSPSA-N 1 3 252.789 3.261 20 0 CGADHO CC[C@H](C)[N@H+](C)CCNc1ccnc2ccccc21 ZINC000220296872 376207684 /nfs/dbraw/zinc/20/76/84/376207684.db2.gz IQVLPYRKNDYPBW-ZDUSSCGKSA-N 1 3 257.381 3.377 20 0 CGADHO CC[C@H](C)[N@@H+](C)CCNc1ccnc2ccccc21 ZINC000220296872 376207688 /nfs/dbraw/zinc/20/76/88/376207688.db2.gz IQVLPYRKNDYPBW-ZDUSSCGKSA-N 1 3 257.381 3.377 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)C1CCCCCC1 ZINC000150166515 371532976 /nfs/dbraw/zinc/53/29/76/371532976.db2.gz MXBVPKBKFSHSFY-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150749454 371535885 /nfs/dbraw/zinc/53/58/85/371535885.db2.gz QPVIRJYQBTXIBC-IAGOWNOFSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000150749454 371535893 /nfs/dbraw/zinc/53/58/93/371535893.db2.gz QPVIRJYQBTXIBC-IAGOWNOFSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000150749454 371535902 /nfs/dbraw/zinc/53/59/02/371535902.db2.gz QPVIRJYQBTXIBC-IAGOWNOFSA-N 1 3 272.436 3.208 20 0 CGADHO CC(C)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151763852 371633052 /nfs/dbraw/zinc/63/30/52/371633052.db2.gz YANYUVNNYKPUMD-HNNXBMFYSA-N 1 3 278.440 3.324 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419283 371693263 /nfs/dbraw/zinc/69/32/63/371693263.db2.gz WZIPCUWQPSDSFP-GHMZBOCLSA-N 1 3 298.352 3.239 20 0 CGADHO CC[C@@H](CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422559161 371750571 /nfs/dbraw/zinc/75/05/71/371750571.db2.gz CMDCLOUNQHKGFB-HNNXBMFYSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1ccccc1Cl ZINC000422702675 371758705 /nfs/dbraw/zinc/75/87/05/371758705.db2.gz FRXYEGVEUQZQCL-VXGBXAGGSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422702675 371758711 /nfs/dbraw/zinc/75/87/11/371758711.db2.gz FRXYEGVEUQZQCL-VXGBXAGGSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccccc1Cl ZINC000422702674 371759693 /nfs/dbraw/zinc/75/96/93/371759693.db2.gz FRXYEGVEUQZQCL-RYUDHWBXSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422702674 371759698 /nfs/dbraw/zinc/75/96/98/371759698.db2.gz FRXYEGVEUQZQCL-RYUDHWBXSA-N 1 3 268.832 3.333 20 0 CGADHO COCCSc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422707502 371761741 /nfs/dbraw/zinc/76/17/41/371761741.db2.gz AGBUGJCWQJIPNF-IHRRRGAJSA-N 1 3 296.480 3.202 20 0 CGADHO COCCSc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422707503 371762018 /nfs/dbraw/zinc/76/20/18/371762018.db2.gz AGBUGJCWQJIPNF-MCIONIFRSA-N 1 3 296.480 3.202 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000422709003 371762378 /nfs/dbraw/zinc/76/23/78/371762378.db2.gz CROXYTGPUOISPL-MKBNYLNASA-N 1 3 264.388 3.382 20 0 CGADHO C[C@@H](N[C@@H](C)c1cccc2ccccc21)C1C[NH2+]C1 ZINC000422765055 371792349 /nfs/dbraw/zinc/79/23/49/371792349.db2.gz QAXDOPINBDUTNW-OLZOCXBDSA-N 1 3 254.377 3.098 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C1CNC1 ZINC000422765055 371792355 /nfs/dbraw/zinc/79/23/55/371792355.db2.gz QAXDOPINBDUTNW-OLZOCXBDSA-N 1 3 254.377 3.098 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422720499 371768719 /nfs/dbraw/zinc/76/87/19/371768719.db2.gz SMNPVDXRKKPEBP-INMHGKMJSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccc(F)cc1Cl ZINC000422727351 371769753 /nfs/dbraw/zinc/76/97/53/371769753.db2.gz HGNLJTMBDAWERS-ABAIWWIYSA-N 1 3 298.833 3.474 20 0 CGADHO CN(CCCC[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422746570 371783013 /nfs/dbraw/zinc/78/30/13/371783013.db2.gz ZVHPFLOJGFHATC-SJLPKXTDSA-N 1 3 289.467 3.010 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422749837 371784222 /nfs/dbraw/zinc/78/42/22/371784222.db2.gz BCPQSXAZOFMMHP-SUMWQHHRSA-N 1 3 295.430 3.057 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000422752738 371784697 /nfs/dbraw/zinc/78/46/97/371784697.db2.gz CZJOXRXIJWZWJQ-CVEARBPZSA-N 1 3 278.415 3.353 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000422751484 371785261 /nfs/dbraw/zinc/78/52/61/371785261.db2.gz CUCBTMBYUMXGMJ-KGLIPLIRSA-N 1 3 283.419 3.303 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCNc1ccccc1 ZINC000422756083 371786165 /nfs/dbraw/zinc/78/61/65/371786165.db2.gz LFRNSBZDWXJSAW-LPHOPBHVSA-N 1 3 297.446 3.037 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422758566 371789803 /nfs/dbraw/zinc/78/98/03/371789803.db2.gz NXOYUBIJVYRADU-HOCLYGCPSA-N 1 3 278.465 3.147 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422819040 371829608 /nfs/dbraw/zinc/82/96/08/371829608.db2.gz MCRNMDMAONEAEI-RFGFWPKPSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCSCc1ccccc1F ZINC000422773534 371796468 /nfs/dbraw/zinc/79/64/68/371796468.db2.gz UIZCQZHKGUUYDW-XJKSGUPXSA-N 1 3 296.455 3.037 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422773534 371796476 /nfs/dbraw/zinc/79/64/76/371796476.db2.gz UIZCQZHKGUUYDW-XJKSGUPXSA-N 1 3 296.455 3.037 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000422780844 371802774 /nfs/dbraw/zinc/80/27/74/371802774.db2.gz KTNFIEXSVVQECE-ZHCJQAHYSA-N 1 3 294.483 3.090 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799270 371816505 /nfs/dbraw/zinc/81/65/05/371816505.db2.gz VZWGVEQVMSTMND-KGLIPLIRSA-N 1 3 286.341 3.455 20 0 CGADHO CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422803340 371817570 /nfs/dbraw/zinc/81/75/70/371817570.db2.gz CSBLEALFMGHWQT-UAGQMJEPSA-N 1 3 260.425 3.014 20 0 CGADHO CC[C@H](N[C@@H](C)CCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805687 371821349 /nfs/dbraw/zinc/82/13/49/371821349.db2.gz HBSNAKGMDSIXPJ-IUCAKERBSA-N 1 3 295.374 3.330 20 0 CGADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccccc2CN(C)C)cc1 ZINC000422869488 371847066 /nfs/dbraw/zinc/84/70/66/371847066.db2.gz AHXFGSHHLYGBSD-CYBMUJFWSA-N 1 3 297.402 3.020 20 0 CGADHO COc1cccc(C2(C[NH2+][C@@H](C)C[C@@H](C)N)CCCC2)c1 ZINC000422887189 371855506 /nfs/dbraw/zinc/85/55/06/371855506.db2.gz KILGPYCVPGZMIY-CABCVRRESA-N 1 3 290.451 3.222 20 0 CGADHO COc1cccc(C2(CN[C@@H](C)C[C@@H](C)[NH3+])CCCC2)c1 ZINC000422887189 371855511 /nfs/dbraw/zinc/85/55/11/371855511.db2.gz KILGPYCVPGZMIY-CABCVRRESA-N 1 3 290.451 3.222 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000154871724 371886041 /nfs/dbraw/zinc/88/60/41/371886041.db2.gz LTRSBTAJZQIBOQ-INIZCTEOSA-N 1 3 286.529 3.429 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000154871724 371886050 /nfs/dbraw/zinc/88/60/50/371886050.db2.gz LTRSBTAJZQIBOQ-INIZCTEOSA-N 1 3 286.529 3.429 20 0 CGADHO CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422919768 371869373 /nfs/dbraw/zinc/86/93/73/371869373.db2.gz KPBGMXOBYDHVRD-PILAGYSTSA-N 1 3 288.435 3.172 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000422930589 371876105 /nfs/dbraw/zinc/87/61/05/371876105.db2.gz VDRJTKRYAUEIBC-KFWWJZLASA-N 1 3 276.449 3.473 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932482 371878460 /nfs/dbraw/zinc/87/84/60/371878460.db2.gz FXTOKWBLJHQRTE-CHWSQXEVSA-N 1 3 284.831 3.214 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937331 371881796 /nfs/dbraw/zinc/88/17/96/371881796.db2.gz JMJAWVCSWJGHGV-RBUKOAKNSA-N 1 3 296.414 3.235 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1cccc(F)c1 ZINC000422855674 371842447 /nfs/dbraw/zinc/84/24/47/371842447.db2.gz VSSALMDSGMSPBK-YSVLISHTSA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422855674 371842451 /nfs/dbraw/zinc/84/24/51/371842451.db2.gz VSSALMDSGMSPBK-YSVLISHTSA-N 1 3 294.414 3.090 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423049351 371934553 /nfs/dbraw/zinc/93/45/53/371934553.db2.gz JQNPUAVGNHDFEW-WMLDXEAASA-N 1 3 260.425 3.288 20 0 CGADHO C[C@H](CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC(C)(C)C ZINC000423059090 371939890 /nfs/dbraw/zinc/93/98/90/371939890.db2.gz LAXLCRUDPRPZMP-QBPKDAKJSA-N 1 3 296.499 3.196 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423062881 371941599 /nfs/dbraw/zinc/94/15/99/371941599.db2.gz VBRBGEWHGHNTPA-OTRWWLKZSA-N 1 3 260.425 3.113 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422958728 371892480 /nfs/dbraw/zinc/89/24/80/371892480.db2.gz YXMPXYFFUUPWGO-SWLSCSKDSA-N 1 3 284.806 3.129 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422972834 371897831 /nfs/dbraw/zinc/89/78/31/371897831.db2.gz AMWLMJYDAZGDOS-MLHJIOFPSA-N 1 3 296.499 3.074 20 0 CGADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422972834 371897833 /nfs/dbraw/zinc/89/78/33/371897833.db2.gz AMWLMJYDAZGDOS-MLHJIOFPSA-N 1 3 296.499 3.074 20 0 CGADHO CC(C)c1ccc(C[C@H](C)[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000423020501 371917965 /nfs/dbraw/zinc/91/79/65/371917965.db2.gz BSNLPSLTUGYWPO-ZNMIVQPWSA-N 1 3 262.441 3.456 20 0 CGADHO CC(C)c1ccc(C[C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423020501 371917969 /nfs/dbraw/zinc/91/79/69/371917969.db2.gz BSNLPSLTUGYWPO-ZNMIVQPWSA-N 1 3 262.441 3.456 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000423020499 371918652 /nfs/dbraw/zinc/91/86/52/371918652.db2.gz BSNLPSLTUGYWPO-RRFJBIMHSA-N 1 3 262.441 3.456 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423020499 371918656 /nfs/dbraw/zinc/91/86/56/371918656.db2.gz BSNLPSLTUGYWPO-RRFJBIMHSA-N 1 3 262.441 3.456 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@@H]1CCCCO1 ZINC000423040261 371928112 /nfs/dbraw/zinc/92/81/12/371928112.db2.gz SVVPXLUOLBJACH-FJIDUMEYSA-N 1 3 294.483 3.236 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093643 371958410 /nfs/dbraw/zinc/95/84/10/371958410.db2.gz IHPXUXYKHLUSPS-BSXFFOKHSA-N 1 3 290.426 3.440 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095610 371961537 /nfs/dbraw/zinc/96/15/37/371961537.db2.gz FSPPSSJLNOKDFN-PGKBUCCNSA-N 1 3 284.806 3.441 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095610 371961543 /nfs/dbraw/zinc/96/15/43/371961543.db2.gz FSPPSSJLNOKDFN-PGKBUCCNSA-N 1 3 284.806 3.441 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423098887 371962280 /nfs/dbraw/zinc/96/22/80/371962280.db2.gz SUGJXKIYWXUEGR-WTTBNOFXSA-N 1 3 276.399 3.179 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423099282 371963031 /nfs/dbraw/zinc/96/30/31/371963031.db2.gz LWCAYTKBVVKXTN-UMQBVGHOSA-N 1 3 272.436 3.356 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423128400 371981276 /nfs/dbraw/zinc/98/12/76/371981276.db2.gz CVQQLGGFWKPWFV-SVXVCFNTSA-N 1 3 264.457 3.321 20 0 CGADHO Cc1cc(CC[NH2+][C@H]2CCCC[C@@H]2CN)ccc1Cl ZINC000423131637 371982434 /nfs/dbraw/zinc/98/24/34/371982434.db2.gz BEHSZDYRCMICJU-ZBFHGGJFSA-N 1 3 280.843 3.298 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1cc(C2CC2)ccc1F ZINC000423144016 371989403 /nfs/dbraw/zinc/98/94/03/371989403.db2.gz FXPGCSVRQFHJKX-GFCCVEGCSA-N 1 3 264.388 3.310 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000423149984 371993109 /nfs/dbraw/zinc/99/31/09/371993109.db2.gz YJLTWDLSYNDTAG-CSMYWGQOSA-N 1 3 276.399 3.181 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423157239 371996463 /nfs/dbraw/zinc/99/64/63/371996463.db2.gz VBCHMRDHMKOHPA-ZSGPHXLJSA-N 1 3 288.435 3.172 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423166407 372000422 /nfs/dbraw/zinc/00/04/22/372000422.db2.gz CNECVHYJJMDFQW-QISWUMQESA-N 1 3 270.779 3.050 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423073061 371947804 /nfs/dbraw/zinc/94/78/04/371947804.db2.gz KKSOAQSSMNXYFD-BGTYHANMSA-N 1 3 272.436 3.300 20 0 CGADHO COC1CCC(C)(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423089173 371956046 /nfs/dbraw/zinc/95/60/46/371956046.db2.gz UNCDNBMKHFWEQW-KJFXSAIASA-N 1 3 288.435 3.316 20 0 CGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000423090600 371956493 /nfs/dbraw/zinc/95/64/93/371956493.db2.gz VTLNEXOVAHABHB-DTWKUNHWSA-N 1 3 295.374 3.330 20 0 CGADHO CC(C)C[C@@H](NCCC[NH3+])c1cccc(Br)c1 ZINC000423196791 372021750 /nfs/dbraw/zinc/02/17/50/372021750.db2.gz WHPQJVBYYNLGDL-CQSZACIVSA-N 1 3 299.256 3.475 20 0 CGADHO [NH3+]CCCN[C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423197496 372022027 /nfs/dbraw/zinc/02/20/27/372022027.db2.gz ZPOQSTDNDZOCPH-ZDUSSCGKSA-N 1 3 273.207 3.383 20 0 CGADHO CNCCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423198638 372022929 /nfs/dbraw/zinc/02/29/29/372022929.db2.gz GYQNACRGDYRTMT-AWEZNQCLSA-N 1 3 287.451 3.423 20 0 CGADHO C[NH2+]CCCN[C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423198638 372022932 /nfs/dbraw/zinc/02/29/32/372022932.db2.gz GYQNACRGDYRTMT-AWEZNQCLSA-N 1 3 287.451 3.423 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000423207939 372030848 /nfs/dbraw/zinc/03/08/48/372030848.db2.gz HKGDZIRMPKVZHH-IHRRRGAJSA-N 1 3 280.843 3.421 20 0 CGADHO CCc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000423217837 372036361 /nfs/dbraw/zinc/03/63/61/372036361.db2.gz QPGQSPUDJXRVFE-FRRDWIJNSA-N 1 3 266.454 3.349 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccccc2)C1 ZINC000290665162 372036559 /nfs/dbraw/zinc/03/65/59/372036559.db2.gz ZXVORFREIFDGQP-LUUOPXGJSA-N 1 3 270.420 3.116 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2C/C=C/c2ccccc2)C1 ZINC000290665162 372036562 /nfs/dbraw/zinc/03/65/62/372036562.db2.gz ZXVORFREIFDGQP-LUUOPXGJSA-N 1 3 270.420 3.116 20 0 CGADHO Cc1cc(C)c([C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1C ZINC000423218410 372037411 /nfs/dbraw/zinc/03/74/11/372037411.db2.gz VJTVHUMPWYELCJ-JKSUJKDBSA-N 1 3 260.425 3.262 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N)[C@H](C)c1ccc(Cl)cc1 ZINC000423222582 372040515 /nfs/dbraw/zinc/04/05/15/372040515.db2.gz BSTJBQJGSACECI-SDDRHHMPSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000423222582 372040519 /nfs/dbraw/zinc/04/05/19/372040519.db2.gz BSTJBQJGSACECI-SDDRHHMPSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000423292832 372048181 /nfs/dbraw/zinc/04/81/81/372048181.db2.gz OQPQQHADAZDRFW-SCLBCKFNSA-N 1 3 266.388 3.483 20 0 CGADHO Cc1ccc([C@@H](NCC2C[NH2+]C2)C2CCCC2)cc1 ZINC000423307095 372049769 /nfs/dbraw/zinc/04/97/69/372049769.db2.gz VICHHBLYHWZACY-KRWDZBQOSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccc([C@@H]([NH2+]CC2CNC2)C2CCCC2)cc1 ZINC000423307095 372049771 /nfs/dbraw/zinc/04/97/71/372049771.db2.gz VICHHBLYHWZACY-KRWDZBQOSA-N 1 3 258.409 3.035 20 0 CGADHO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359224 372055375 /nfs/dbraw/zinc/05/53/75/372055375.db2.gz CYYSWAFRUPYVPG-AYWUYMJWSA-N 1 3 294.389 3.044 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CCN1 ZINC000423368432 372055415 /nfs/dbraw/zinc/05/54/15/372055415.db2.gz AXIMLHVSICIJFT-FMCLSXCISA-N 1 3 264.438 3.417 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000423365124 372056023 /nfs/dbraw/zinc/05/60/23/372056023.db2.gz CWIRIBIMCZMMGN-YHUYYLMFSA-N 1 3 252.446 3.179 20 0 CGADHO NC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCCCC1 ZINC000423175642 372005294 /nfs/dbraw/zinc/00/52/94/372005294.db2.gz FFQAQNOQJCQAII-INIZCTEOSA-N 1 3 273.424 3.174 20 0 CGADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000424210358 372080735 /nfs/dbraw/zinc/08/07/35/372080735.db2.gz VWWYOBPQKZLHPE-LTIDMASMSA-N 1 3 262.441 3.172 20 0 CGADHO CS[C@H]1CC[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000425349288 372122744 /nfs/dbraw/zinc/12/27/44/372122744.db2.gz FJOYTJPEXSSLJE-CABCVRRESA-N 1 3 270.486 3.125 20 0 CGADHO CS[C@H]1CC[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000425349288 372122745 /nfs/dbraw/zinc/12/27/45/372122745.db2.gz FJOYTJPEXSSLJE-CABCVRRESA-N 1 3 270.486 3.125 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H](C[NH+](C)C)C1 ZINC000293186673 372321786 /nfs/dbraw/zinc/32/17/86/372321786.db2.gz WBOFJLQONSORRL-HNNXBMFYSA-N 1 3 283.419 3.240 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cccn2C)c1 ZINC000161824443 372355970 /nfs/dbraw/zinc/35/59/70/372355970.db2.gz GDDTXURSIIAXPK-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cccn2C)c1 ZINC000161824443 372355978 /nfs/dbraw/zinc/35/59/78/372355978.db2.gz GDDTXURSIIAXPK-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000429530566 372372623 /nfs/dbraw/zinc/37/26/23/372372623.db2.gz SQKDMFCNNBLEGV-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000429530566 372372631 /nfs/dbraw/zinc/37/26/31/372372631.db2.gz SQKDMFCNNBLEGV-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1cscn1 ZINC000162296233 372386044 /nfs/dbraw/zinc/38/60/44/372386044.db2.gz CYSXZTCZGFZHFP-CHWSQXEVSA-N 1 3 269.458 3.304 20 0 CGADHO Cc1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000162785003 372421508 /nfs/dbraw/zinc/42/15/08/372421508.db2.gz JFFVQDOPAKAORW-GOSISDBHSA-N 1 3 281.403 3.467 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000293778905 372479765 /nfs/dbraw/zinc/47/97/65/372479765.db2.gz SSXCQMKPBNBIBT-XSLAGTTESA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000293778905 372479777 /nfs/dbraw/zinc/47/97/77/372479777.db2.gz SSXCQMKPBNBIBT-XSLAGTTESA-N 1 3 270.420 3.007 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000293676578 372445650 /nfs/dbraw/zinc/44/56/50/372445650.db2.gz RBSHIHAKPGARMY-NVXWUHKLSA-N 1 3 290.451 3.033 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000293676580 372445938 /nfs/dbraw/zinc/44/59/38/372445938.db2.gz RBSHIHAKPGARMY-RDJZCZTQSA-N 1 3 290.451 3.033 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000293746990 372468634 /nfs/dbraw/zinc/46/86/34/372468634.db2.gz XTSDTPHAKNNAAX-CVEARBPZSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000293746990 372468637 /nfs/dbraw/zinc/46/86/37/372468637.db2.gz XTSDTPHAKNNAAX-CVEARBPZSA-N 1 3 290.451 3.177 20 0 CGADHO Fc1ccccc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294146404 372594530 /nfs/dbraw/zinc/59/45/30/372594530.db2.gz HADUWUQTOCBRBB-UHFFFAOYSA-N 1 3 299.393 3.022 20 0 CGADHO CC[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccncc1 ZINC000344558648 217231512 /nfs/dbraw/zinc/23/15/12/217231512.db2.gz YCMJEAIDMPMBHI-SFHVURJKSA-N 1 3 283.419 3.384 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CNC2CCC([NH+](C)C)CC2)o1 ZINC000353456256 220092626 /nfs/dbraw/zinc/09/26/26/220092626.db2.gz URSFBFWJQYSWCN-USPMSXPRSA-N 1 3 276.424 3.365 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000333255466 205157577 /nfs/dbraw/zinc/15/75/77/205157577.db2.gz HUTGFPWCEYMUIO-DRZSPHRISA-N 1 3 275.421 3.217 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000173363592 373130830 /nfs/dbraw/zinc/13/08/30/373130830.db2.gz RCPBMJNOLQNNRD-IUODEOHRSA-N 1 3 298.377 3.108 20 0 CGADHO Cc1cc(C[NH2+]C2CCN(CC(C)C)CC2)cc(C)c1O ZINC000298408112 373317889 /nfs/dbraw/zinc/31/78/89/373317889.db2.gz MEHGKZVOLKTYGG-UHFFFAOYSA-N 1 3 290.451 3.219 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000446884677 373374493 /nfs/dbraw/zinc/37/44/93/373374493.db2.gz QAKXRIBFVKLAEM-SUMWQHHRSA-N 1 3 288.435 3.367 20 0 CGADHO CN(C)CCOCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000447600561 373463640 /nfs/dbraw/zinc/46/36/40/373463640.db2.gz MQZIAQAUCWDLSP-GOSISDBHSA-N 1 3 290.451 3.086 20 0 CGADHO CCOc1ccccc1C[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000175725232 373510466 /nfs/dbraw/zinc/51/04/66/373510466.db2.gz QLYGJKFYNIAIML-WBVHZDCISA-N 1 3 290.451 3.247 20 0 CGADHO CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000175725232 373510469 /nfs/dbraw/zinc/51/04/69/373510469.db2.gz QLYGJKFYNIAIML-WBVHZDCISA-N 1 3 290.451 3.247 20 0 CGADHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000447797491 373489805 /nfs/dbraw/zinc/48/98/05/373489805.db2.gz KOUTYDJHZPHGQQ-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCCNC1 ZINC000300125760 373620421 /nfs/dbraw/zinc/62/04/21/373620421.db2.gz VEJLUVVVZAJKPJ-ROUUACIJSA-N 1 3 274.452 3.329 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCCNC1 ZINC000300125760 373620425 /nfs/dbraw/zinc/62/04/25/373620425.db2.gz VEJLUVVVZAJKPJ-ROUUACIJSA-N 1 3 274.452 3.329 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449088704 373660989 /nfs/dbraw/zinc/66/09/89/373660989.db2.gz BUQGBRLYNBOXNY-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@@](C)(CNC1CC[NH+](C2CCCCC2)CC1)OC ZINC000449477561 373764645 /nfs/dbraw/zinc/76/46/45/373764645.db2.gz PMNLCURMAAPZQI-KRWDZBQOSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@](C)(C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449477561 373764656 /nfs/dbraw/zinc/76/46/56/373764656.db2.gz PMNLCURMAAPZQI-KRWDZBQOSA-N 1 3 282.472 3.188 20 0 CGADHO Cc1ccc(F)cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000179932047 373940387 /nfs/dbraw/zinc/94/03/87/373940387.db2.gz OJRVRSPADIBWHU-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc2nccc(NCC3CC[NH+](C)CC3)c2c1 ZINC000302829264 373979055 /nfs/dbraw/zinc/97/90/55/373979055.db2.gz PAPIANIREPSECE-UHFFFAOYSA-N 1 3 269.392 3.297 20 0 CGADHO CN(C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450253265 374022489 /nfs/dbraw/zinc/02/24/89/374022489.db2.gz NFJOKHQCLRPHHS-UXBLZVDNSA-N 1 3 258.409 3.116 20 0 CGADHO C[C@H](NCC(C)(C)C1=CCCC1)[C@H]1CCCC[NH2+]1 ZINC000308771705 374179165 /nfs/dbraw/zinc/17/91/65/374179165.db2.gz VWKIZPYVAHWVMO-DZGCQCFKSA-N 1 3 250.430 3.243 20 0 CGADHO COc1ccc(F)cc1[C@@H](C)N[C@H](C)CCCC[NH3+] ZINC000311965234 374263748 /nfs/dbraw/zinc/26/37/48/374263748.db2.gz LXOMPHHLMZAWNS-VXGBXAGGSA-N 1 3 268.376 3.002 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CCC1 ZINC000322497163 374352493 /nfs/dbraw/zinc/35/24/93/374352493.db2.gz CRBYFBDNKRQAPZ-HOCLYGCPSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CCC1 ZINC000322497172 374353058 /nfs/dbraw/zinc/35/30/58/374353058.db2.gz CRBYFBDNKRQAPZ-ZBFHGGJFSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000084987707 541936043 /nfs/dbraw/zinc/93/60/43/541936043.db2.gz WKQZPDJLZGFKRJ-UGUYLWEFSA-N 1 3 252.446 3.131 20 0 CGADHO COc1ccccc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000183950642 374478056 /nfs/dbraw/zinc/47/80/56/374478056.db2.gz XEXGQJWJLICVLN-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090115180 541956198 /nfs/dbraw/zinc/95/61/98/541956198.db2.gz JRVVWBWTISDDOV-QXAKKESOSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090115180 541956200 /nfs/dbraw/zinc/95/62/00/541956200.db2.gz JRVVWBWTISDDOV-QXAKKESOSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CCN3CCC[C@@H]3C2)c1 ZINC000090115180 541956203 /nfs/dbraw/zinc/95/62/03/541956203.db2.gz JRVVWBWTISDDOV-QXAKKESOSA-N 1 3 286.463 3.451 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000090400173 541959476 /nfs/dbraw/zinc/95/94/76/541959476.db2.gz AVOLIBDHUJFYPJ-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC/C=C/CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184567735 374540262 /nfs/dbraw/zinc/54/02/62/374540262.db2.gz SSXXTJOIZBPBGS-QDLOVBKTSA-N 1 3 250.430 3.293 20 0 CGADHO C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000090963719 541965519 /nfs/dbraw/zinc/96/55/19/541965519.db2.gz WMIFFCKPDAQBJI-NWDGAFQWSA-N 1 3 282.378 3.346 20 0 CGADHO NC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000332408205 374571407 /nfs/dbraw/zinc/57/14/07/374571407.db2.gz DKNJFVRTHWTXTJ-HIFRSBDPSA-N 1 3 293.455 3.077 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186321537 374831694 /nfs/dbraw/zinc/83/16/94/374831694.db2.gz VFDJDHGWPARZGL-HOCLYGCPSA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc(C2CC2)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000094357687 541985525 /nfs/dbraw/zinc/98/55/25/541985525.db2.gz YDMWKXVDMAZHRQ-AWEZNQCLSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc(C2CC2)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000094357687 541985528 /nfs/dbraw/zinc/98/55/28/541985528.db2.gz YDMWKXVDMAZHRQ-AWEZNQCLSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc(C2CC2)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000094357687 541985534 /nfs/dbraw/zinc/98/55/34/541985534.db2.gz YDMWKXVDMAZHRQ-AWEZNQCLSA-N 1 3 270.420 3.138 20 0 CGADHO Clc1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CCS2 ZINC000335058809 375097456 /nfs/dbraw/zinc/09/74/56/375097456.db2.gz KGOPKCDESQCGNB-CQSZACIVSA-N 1 3 294.851 3.386 20 0 CGADHO FC(F)c1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000334995025 375059959 /nfs/dbraw/zinc/05/99/59/375059959.db2.gz COZOWQQGJZZFOW-UHFFFAOYSA-N 1 3 280.362 3.200 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000188693828 375256352 /nfs/dbraw/zinc/25/63/52/375256352.db2.gz VGHPNCOYEIPNQY-RDJZCZTQSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000188693828 375256357 /nfs/dbraw/zinc/25/63/57/375256357.db2.gz VGHPNCOYEIPNQY-RDJZCZTQSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488428476 375308057 /nfs/dbraw/zinc/30/80/57/375308057.db2.gz HQLKJVMCOBGCDG-CVEARBPZSA-N 1 3 284.513 3.227 20 0 CGADHO CN(Cc1ccc(Cl)cc1F)CC1CC[NH+](C)CC1 ZINC000189023483 375313152 /nfs/dbraw/zinc/31/31/52/375313152.db2.gz FQMMWRFLAUHJKC-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO CCc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000189115145 375327364 /nfs/dbraw/zinc/32/73/64/375327364.db2.gz ZGAGXDUJQZFSBO-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000189115145 375327368 /nfs/dbraw/zinc/32/73/68/375327368.db2.gz ZGAGXDUJQZFSBO-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000189115145 375327371 /nfs/dbraw/zinc/32/73/71/375327371.db2.gz ZGAGXDUJQZFSBO-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000189115145 375327375 /nfs/dbraw/zinc/32/73/75/375327375.db2.gz ZGAGXDUJQZFSBO-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCC12CCCC2)CN1CCCC1 ZINC000189072834 375318771 /nfs/dbraw/zinc/31/87/71/375318771.db2.gz ZDYYMIFKDHLKTM-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](C)CN(C)C ZINC000491562641 375331302 /nfs/dbraw/zinc/33/13/02/375331302.db2.gz XPVWRXVHFLZHQW-QWHCGFSZSA-N 1 3 268.832 3.058 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CC=CC2)CC1 ZINC000122112427 542023099 /nfs/dbraw/zinc/02/30/99/542023099.db2.gz OJKOWFSIFMSARL-YOEHRIQHSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC=CC2)CC1 ZINC000122112427 542023101 /nfs/dbraw/zinc/02/31/01/542023101.db2.gz OJKOWFSIFMSARL-YOEHRIQHSA-N 1 3 262.441 3.338 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000507498108 375708437 /nfs/dbraw/zinc/70/84/37/375708437.db2.gz UEFSVDANLKVJEL-ZWKOTPCHSA-N 1 3 297.531 3.064 20 0 CGADHO FC1(F)CC[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000336187627 375755183 /nfs/dbraw/zinc/75/51/83/375755183.db2.gz NCKDXAOMMBEFEH-CABCVRRESA-N 1 3 286.410 3.372 20 0 CGADHO Cc1c[nH+]ccc1NCCN(C)Cc1ccc(F)cc1 ZINC000192648996 375774039 /nfs/dbraw/zinc/77/40/39/375774039.db2.gz HRRJVOXOGTZVAN-UHFFFAOYSA-N 1 3 273.355 3.073 20 0 CGADHO CCCN1CCC([NH2+]C[C@H](OCC)c2ccccc2)CC1 ZINC000193431216 375877168 /nfs/dbraw/zinc/87/71/68/375877168.db2.gz FEGZNQFMAITSFI-SFHVURJKSA-N 1 3 290.451 3.228 20 0 CGADHO C[C@H](C[NH2+]C(C1CCC1)C1CCC1)CN1CCCC1 ZINC000336807856 375959313 /nfs/dbraw/zinc/95/93/13/375959313.db2.gz AHPVLLNUNQDABD-CQSZACIVSA-N 1 3 264.457 3.277 20 0 CGADHO CSC1(C[NH2+]CCCN2CCCC[C@@H]2C)CCC1 ZINC000336786346 375936600 /nfs/dbraw/zinc/93/66/00/375936600.db2.gz HSMROGCLOFWRFF-AWEZNQCLSA-N 1 3 270.486 3.126 20 0 CGADHO C[N@H+](CCCOc1ccc(F)cc1)CCCN1CCCC1 ZINC000337281757 376188624 /nfs/dbraw/zinc/18/86/24/376188624.db2.gz WQPIHNMUOGZXAH-UHFFFAOYSA-N 1 3 294.414 3.012 20 0 CGADHO C[N@@H+](CCCOc1ccc(F)cc1)CCCN1CCCC1 ZINC000337281757 376188626 /nfs/dbraw/zinc/18/86/26/376188626.db2.gz WQPIHNMUOGZXAH-UHFFFAOYSA-N 1 3 294.414 3.012 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000537294565 376160278 /nfs/dbraw/zinc/16/02/78/376160278.db2.gz FBAQPGDDMCCMTG-IXDOHACOSA-N 1 3 296.499 3.148 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221851750 376223288 /nfs/dbraw/zinc/22/32/88/376223288.db2.gz PZYASIAKGUGMOX-OFQRWUPVSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221851750 376223295 /nfs/dbraw/zinc/22/32/95/376223295.db2.gz PZYASIAKGUGMOX-OFQRWUPVSA-N 1 3 276.424 3.219 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222236977 376231103 /nfs/dbraw/zinc/23/11/03/376231103.db2.gz FIYLFDAKMJFDIL-HRCADAONSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222236977 376231110 /nfs/dbraw/zinc/23/11/10/376231110.db2.gz FIYLFDAKMJFDIL-HRCADAONSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@H]1C1CCC1)N1CCCCC1 ZINC000338014080 376255278 /nfs/dbraw/zinc/25/52/78/376255278.db2.gz DXYVHWMQBNNKMY-PVAVHDDUSA-N 1 3 264.457 3.419 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)C1(C)C ZINC000540607966 376385522 /nfs/dbraw/zinc/38/55/22/376385522.db2.gz PQZZFVXUCZZASM-BRWVUGGUSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)C1(C)C ZINC000540607966 376385531 /nfs/dbraw/zinc/38/55/31/376385531.db2.gz PQZZFVXUCZZASM-BRWVUGGUSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1(C)C ZINC000540607966 376385543 /nfs/dbraw/zinc/38/55/43/376385543.db2.gz PQZZFVXUCZZASM-BRWVUGGUSA-N 1 3 296.499 3.148 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000540606687 376386103 /nfs/dbraw/zinc/38/61/03/376386103.db2.gz PYRDSQAWISCMOJ-MRXNPFEDSA-N 1 3 276.811 3.179 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000228809292 376449253 /nfs/dbraw/zinc/44/92/53/376449253.db2.gz MUOCDVNVMUCJTI-CHWSQXEVSA-N 1 3 280.378 3.427 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000541536160 376455779 /nfs/dbraw/zinc/45/57/79/376455779.db2.gz BQQAZPVUHVHDAD-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000541536160 376455788 /nfs/dbraw/zinc/45/57/88/376455788.db2.gz BQQAZPVUHVHDAD-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CN(C)CCOCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000231786829 376572458 /nfs/dbraw/zinc/57/24/58/376572458.db2.gz IQIQHKRDEYPGKR-INIZCTEOSA-N 1 3 296.480 3.147 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137992 376611274 /nfs/dbraw/zinc/61/12/74/376611274.db2.gz CSPKEYDLJYEUSF-BBRMVZONSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137992 376611279 /nfs/dbraw/zinc/61/12/79/376611279.db2.gz CSPKEYDLJYEUSF-BBRMVZONSA-N 1 3 296.405 3.169 20 0 CGADHO Cc1ccc([C@@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000543253306 376624353 /nfs/dbraw/zinc/62/43/53/376624353.db2.gz OVVFXXMZLDPISI-MSOLQXFVSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccc([C@@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253306 376624358 /nfs/dbraw/zinc/62/43/58/376624358.db2.gz OVVFXXMZLDPISI-MSOLQXFVSA-N 1 3 272.436 3.269 20 0 CGADHO CCc1nocc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339184566 376731160 /nfs/dbraw/zinc/73/11/60/376731160.db2.gz PTBIGXCPKGAAIT-GASCZTMLSA-N 1 3 293.455 3.085 20 0 CGADHO CCc1nocc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339184566 376731166 /nfs/dbraw/zinc/73/11/66/376731166.db2.gz PTBIGXCPKGAAIT-GASCZTMLSA-N 1 3 293.455 3.085 20 0 CGADHO CC[N@H+](CC[C@@H]1CCCN1C)[C@H](C)c1cccc(O)c1 ZINC000245684982 376879227 /nfs/dbraw/zinc/87/92/27/376879227.db2.gz UYTBBSRFNVVALI-ZBFHGGJFSA-N 1 3 276.424 3.259 20 0 CGADHO CC[N@@H+](CC[C@@H]1CCCN1C)[C@H](C)c1cccc(O)c1 ZINC000245684982 376879234 /nfs/dbraw/zinc/87/92/34/376879234.db2.gz UYTBBSRFNVVALI-ZBFHGGJFSA-N 1 3 276.424 3.259 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000556865186 376891917 /nfs/dbraw/zinc/89/19/17/376891917.db2.gz IZBGGEUSOGTURN-DLBZAZTESA-N 1 3 260.425 3.272 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(C)c1 ZINC000246441621 377030580 /nfs/dbraw/zinc/03/05/80/377030580.db2.gz OOLXYAUBXAAGPR-YESZJQIVSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(C)c1 ZINC000246441621 377030590 /nfs/dbraw/zinc/03/05/90/377030590.db2.gz OOLXYAUBXAAGPR-YESZJQIVSA-N 1 3 290.451 3.225 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558698653 377035862 /nfs/dbraw/zinc/03/58/62/377035862.db2.gz WAQIFNSIFPTWOF-NNXHMXCWSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2)C1 ZINC000558419286 377006899 /nfs/dbraw/zinc/00/68/99/377006899.db2.gz SKXDFYSKXAPEEP-DOTOQJQBSA-N 1 3 292.442 3.467 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000246907547 377116998 /nfs/dbraw/zinc/11/69/98/377116998.db2.gz GDJFZEZHRBTDOO-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246922407 377119569 /nfs/dbraw/zinc/11/95/69/377119569.db2.gz GNCQRVOBXUSXAK-JFIYKMOQSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246922407 377119577 /nfs/dbraw/zinc/11/95/77/377119577.db2.gz GNCQRVOBXUSXAK-JFIYKMOQSA-N 1 3 290.451 3.001 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2coc3ccccc23)[C@H]2CCC[C@H]21 ZINC000340453985 377067538 /nfs/dbraw/zinc/06/75/38/377067538.db2.gz SSSBPILBOPBSFK-IXDOHACOSA-N 1 3 284.403 3.395 20 0 CGADHO C[N@H+]1CC[C@H](NCc2coc3ccccc23)[C@H]2CCC[C@H]21 ZINC000340453985 377067550 /nfs/dbraw/zinc/06/75/50/377067550.db2.gz SSSBPILBOPBSFK-IXDOHACOSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H]2CCC[C@H]21 ZINC000340453985 377067555 /nfs/dbraw/zinc/06/75/55/377067555.db2.gz SSSBPILBOPBSFK-IXDOHACOSA-N 1 3 284.403 3.395 20 0 CGADHO Cc1ncc([C@@H](C)NCCCCC[NH+]2CCCC2)c(C)n1 ZINC000340477978 377090665 /nfs/dbraw/zinc/09/06/65/377090665.db2.gz YKIFQNHNBKSCAM-CQSZACIVSA-N 1 3 290.455 3.010 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000247169882 377170016 /nfs/dbraw/zinc/17/00/16/377170016.db2.gz RCPBMJNOLQNNRD-WFASDCNBSA-N 1 3 298.377 3.108 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000562020514 377267411 /nfs/dbraw/zinc/26/74/11/377267411.db2.gz XPGHDVOQWAHGGV-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCOC2CCCCCC2)[C@@H](C)C1 ZINC000248170148 377274493 /nfs/dbraw/zinc/27/44/93/377274493.db2.gz UQEHNINKMWOMLW-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCOC2CCCCCC2)[C@@H](C)C1 ZINC000248170148 377274499 /nfs/dbraw/zinc/27/44/99/377274499.db2.gz UQEHNINKMWOMLW-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000248757151 377396770 /nfs/dbraw/zinc/39/67/70/377396770.db2.gz CRWFDDSMMCVEMS-CRAIPNDOSA-N 1 3 289.467 3.328 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000248757151 377396775 /nfs/dbraw/zinc/39/67/75/377396775.db2.gz CRWFDDSMMCVEMS-CRAIPNDOSA-N 1 3 289.467 3.328 20 0 CGADHO c1ccc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)nc1 ZINC000563269431 377429424 /nfs/dbraw/zinc/42/94/24/377429424.db2.gz SGPTXMQJCPHVHM-IBGZPJMESA-N 1 3 293.414 3.064 20 0 CGADHO CCC[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249257397 377483294 /nfs/dbraw/zinc/48/32/94/377483294.db2.gz GYCQMIXVMRDTKK-DZKIICNBSA-N 1 3 250.430 3.124 20 0 CGADHO CCC[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249257397 377483299 /nfs/dbraw/zinc/48/32/99/377483299.db2.gz GYCQMIXVMRDTKK-DZKIICNBSA-N 1 3 250.430 3.124 20 0 CGADHO c1ccc(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451207 249038140 /nfs/dbraw/zinc/03/81/40/249038140.db2.gz LSZCEPFFVDTZJJ-KURKYZTESA-N 1 3 272.436 3.130 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549062 249156128 /nfs/dbraw/zinc/15/61/28/249156128.db2.gz CIJRXKPCMNKBFB-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549062 249156130 /nfs/dbraw/zinc/15/61/30/249156130.db2.gz CIJRXKPCMNKBFB-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549062 249156131 /nfs/dbraw/zinc/15/61/31/249156131.db2.gz CIJRXKPCMNKBFB-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549062 249156133 /nfs/dbraw/zinc/15/61/33/249156133.db2.gz CIJRXKPCMNKBFB-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO Fc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250255575 377557441 /nfs/dbraw/zinc/55/74/41/377557441.db2.gz QIVKZTRLOJDDSY-CCRGXQTGSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250255575 377557449 /nfs/dbraw/zinc/55/74/49/377557449.db2.gz QIVKZTRLOJDDSY-CCRGXQTGSA-N 1 3 288.410 3.288 20 0 CGADHO CCC[C@H](CN1CC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021234 249165883 /nfs/dbraw/zinc/16/58/83/249165883.db2.gz SOQAPZQPUANADW-DOTOQJQBSA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@@H](CNC)C1)c1ccccc1 ZINC000470021234 249165886 /nfs/dbraw/zinc/16/58/86/249165886.db2.gz SOQAPZQPUANADW-DOTOQJQBSA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@@H](CNC)C1)c1ccccc1 ZINC000470021234 249165887 /nfs/dbraw/zinc/16/58/87/249165887.db2.gz SOQAPZQPUANADW-DOTOQJQBSA-N 1 3 260.425 3.112 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)C12CCC2 ZINC000250488657 377559985 /nfs/dbraw/zinc/55/99/85/377559985.db2.gz HPVBCDSJWYEWFU-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000250488657 377559997 /nfs/dbraw/zinc/55/99/97/377559997.db2.gz HPVBCDSJWYEWFU-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000250488657 377560002 /nfs/dbraw/zinc/56/00/02/377560002.db2.gz HPVBCDSJWYEWFU-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@H](C)c2ccccc2)C1 ZINC000251207079 377576213 /nfs/dbraw/zinc/57/62/13/377576213.db2.gz LTNVPHFHZILXQG-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000251609979 377590493 /nfs/dbraw/zinc/59/04/93/377590493.db2.gz CZKHMNNQUGZHSU-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000251609979 377590500 /nfs/dbraw/zinc/59/05/00/377590500.db2.gz CZKHMNNQUGZHSU-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251609979 377590507 /nfs/dbraw/zinc/59/05/07/377590507.db2.gz CZKHMNNQUGZHSU-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000518397833 249280475 /nfs/dbraw/zinc/28/04/75/249280475.db2.gz WJGWQKSVVRSZDX-HZPDHXFCSA-N 1 3 276.424 3.048 20 0 CGADHO CC(C)C[C@H](CNc1ccnc2ccccc21)[NH+](C)C ZINC000517639496 249268792 /nfs/dbraw/zinc/26/87/92/249268792.db2.gz CUMKZIAKMARGQA-CQSZACIVSA-N 1 3 271.408 3.045 20 0 CGADHO C[C@H]1CCC[C@@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859881 377600608 /nfs/dbraw/zinc/60/06/08/377600608.db2.gz PTMSPQZMIRBYLN-JPIQDLEPSA-N 1 3 250.430 3.028 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000574170360 377631205 /nfs/dbraw/zinc/63/12/05/377631205.db2.gz NDFOIICMQOMILC-WCXIOVBPSA-N 1 3 258.409 3.182 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3c(F)cccc32)C1 ZINC000574290110 377645473 /nfs/dbraw/zinc/64/54/73/377645473.db2.gz GSYOVVGUTJODIR-WQGACYEGSA-N 1 3 262.372 3.063 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000181481784 542218539 /nfs/dbraw/zinc/21/85/39/542218539.db2.gz BBAMROBYKPPTEF-WMLDXEAASA-N 1 3 260.425 3.384 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@H]2CCC[C@H](N)C2)c(C)c1 ZINC000574412864 377659793 /nfs/dbraw/zinc/65/97/93/377659793.db2.gz BXTXCRUJPBMQCP-HOTGVXAUSA-N 1 3 260.425 3.014 20 0 CGADHO Cc1cc(C)c(CCN[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000574412864 377659797 /nfs/dbraw/zinc/65/97/97/377659797.db2.gz BXTXCRUJPBMQCP-HOTGVXAUSA-N 1 3 260.425 3.014 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2ccccc2)C2CCC2)C1 ZINC000575072300 377744395 /nfs/dbraw/zinc/74/43/95/377744395.db2.gz XIPZYBVKFJBDHU-BRWVUGGUSA-N 1 3 258.409 3.387 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261573887 377820111 /nfs/dbraw/zinc/82/01/11/377820111.db2.gz AVHPQLNYWFIVQE-QGZVFWFLSA-N 1 3 260.425 3.056 20 0 CGADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@](C)(CN)C2)cc1 ZINC000261573887 377820123 /nfs/dbraw/zinc/82/01/23/377820123.db2.gz AVHPQLNYWFIVQE-QGZVFWFLSA-N 1 3 260.425 3.056 20 0 CGADHO CC(C)Cc1ccc(C[N@H+]2CC[C@](C)(CN)C2)cc1 ZINC000261573887 377820131 /nfs/dbraw/zinc/82/01/31/377820131.db2.gz AVHPQLNYWFIVQE-QGZVFWFLSA-N 1 3 260.425 3.056 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261660160 377837397 /nfs/dbraw/zinc/83/73/97/377837397.db2.gz DWIYKBBYPUZICZ-OKZBNKHCSA-N 1 3 272.436 3.054 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261686230 377839551 /nfs/dbraw/zinc/83/95/51/377839551.db2.gz ARFNXLKBWQONLF-SJORKVTESA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261957380 377874024 /nfs/dbraw/zinc/87/40/24/377874024.db2.gz OUDQNOSVFRAZQZ-YOEHRIQHSA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261957380 377874035 /nfs/dbraw/zinc/87/40/35/377874035.db2.gz OUDQNOSVFRAZQZ-YOEHRIQHSA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261957380 377874038 /nfs/dbraw/zinc/87/40/38/377874038.db2.gz OUDQNOSVFRAZQZ-YOEHRIQHSA-N 1 3 278.415 3.454 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000262117688 377888889 /nfs/dbraw/zinc/88/88/89/377888889.db2.gz KIEUEACCZNHYLJ-JCGIZDLHSA-N 1 3 295.430 3.102 20 0 CGADHO C[C@H](CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1cccc(Cl)c1 ZINC000261807639 377855842 /nfs/dbraw/zinc/85/58/42/377855842.db2.gz HMQCNRZWODXALF-XTBFLFJDSA-N 1 3 278.827 3.113 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417295 542231894 /nfs/dbraw/zinc/23/18/94/542231894.db2.gz QZCFFMMUBIETHZ-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417295 542231896 /nfs/dbraw/zinc/23/18/96/542231896.db2.gz QZCFFMMUBIETHZ-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417295 542231898 /nfs/dbraw/zinc/23/18/98/542231898.db2.gz QZCFFMMUBIETHZ-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417295 542231900 /nfs/dbraw/zinc/23/19/00/542231900.db2.gz QZCFFMMUBIETHZ-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO C[C@@H](NCCCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343851452 378114568 /nfs/dbraw/zinc/11/45/68/378114568.db2.gz ZDCLCECHDLRLNO-SECBINFHSA-N 1 3 295.374 3.154 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)[C@H](C)OC)c1 ZINC000268757689 378103445 /nfs/dbraw/zinc/10/34/45/378103445.db2.gz FUJMTMZTSAGCJW-CABCVRRESA-N 1 3 278.440 3.041 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(COC)o1 ZINC000268787372 378111069 /nfs/dbraw/zinc/11/10/69/378111069.db2.gz KSAYVPQFBALWSL-AWEZNQCLSA-N 1 3 282.428 3.026 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000565226571 322067625 /nfs/dbraw/zinc/06/76/25/322067625.db2.gz OGIIIOUUJNFWOD-CABCVRRESA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226571 322067627 /nfs/dbraw/zinc/06/76/27/322067627.db2.gz OGIIIOUUJNFWOD-CABCVRRESA-N 1 3 260.425 3.132 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCc3c2cccc3Cl)C1 ZINC000579701804 378184127 /nfs/dbraw/zinc/18/41/27/378184127.db2.gz LEHWDQQIIMQKEB-JRPNMDOOSA-N 1 3 264.800 3.187 20 0 CGADHO c1ccc2c(c1)CC(CN1CCC[C@@H]([NH+]3CCCC3)CC1)C2 ZINC000582055507 378281425 /nfs/dbraw/zinc/28/14/25/378281425.db2.gz PLODKEJYMGTQFD-HXUWFJFHSA-N 1 3 298.474 3.352 20 0 CGADHO c1ccc2c(c1)CC(C[N@@H+]1CCC[C@@H](N3CCCC3)CC1)C2 ZINC000582055507 378281427 /nfs/dbraw/zinc/28/14/27/378281427.db2.gz PLODKEJYMGTQFD-HXUWFJFHSA-N 1 3 298.474 3.352 20 0 CGADHO c1ccc2c(c1)CC(C[N@H+]1CCC[C@@H](N3CCCC3)CC1)C2 ZINC000582055507 378281429 /nfs/dbraw/zinc/28/14/29/378281429.db2.gz PLODKEJYMGTQFD-HXUWFJFHSA-N 1 3 298.474 3.352 20 0 CGADHO C[C@@H](NCc1cc[nH]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134336 378569251 /nfs/dbraw/zinc/56/92/51/378569251.db2.gz AAXHNMYZLOSNDT-CRAIPNDOSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H](NCc1cc[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134336 378569256 /nfs/dbraw/zinc/56/92/56/378569256.db2.gz AAXHNMYZLOSNDT-CRAIPNDOSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]([NH2+]Cc1cc[nH]c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272134336 378569262 /nfs/dbraw/zinc/56/92/62/378569262.db2.gz AAXHNMYZLOSNDT-CRAIPNDOSA-N 1 3 283.419 3.015 20 0 CGADHO CC(C)c1nc([C@H](C)NCCCC[NH+](C)C)cs1 ZINC000346630998 378653507 /nfs/dbraw/zinc/65/35/07/378653507.db2.gz ZUZABXJHKRZSAS-LBPRGKRZSA-N 1 3 269.458 3.259 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000346677824 378672683 /nfs/dbraw/zinc/67/26/83/378672683.db2.gz LREPEBPZDHRRLS-OLZOCXBDSA-N 1 3 272.392 3.164 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCOC1CCC1 ZINC000347185303 378709710 /nfs/dbraw/zinc/70/97/10/378709710.db2.gz CKCMFZMXGKGXGN-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000347185303 378709715 /nfs/dbraw/zinc/70/97/15/378709715.db2.gz CKCMFZMXGKGXGN-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccccc1C1CC([NH2+]CC2=CCN(C)CC2)C1 ZINC000272823150 378710139 /nfs/dbraw/zinc/71/01/39/378710139.db2.gz CVQAQKNVXSYNES-UHFFFAOYSA-N 1 3 270.420 3.093 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181254 378725095 /nfs/dbraw/zinc/72/50/95/378725095.db2.gz YGHZXAQKFORIDT-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181254 378725101 /nfs/dbraw/zinc/72/51/01/378725101.db2.gz YGHZXAQKFORIDT-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181254 378725106 /nfs/dbraw/zinc/72/51/06/378725106.db2.gz YGHZXAQKFORIDT-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181254 378725112 /nfs/dbraw/zinc/72/51/12/378725112.db2.gz YGHZXAQKFORIDT-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](OC)C1CC1 ZINC000638313353 378766056 /nfs/dbraw/zinc/76/60/56/378766056.db2.gz ULWRVZFOWALNQG-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)sn1 ZINC000638366559 378781486 /nfs/dbraw/zinc/78/14/86/378781486.db2.gz OICWUKCTMNOLLY-CYBMUJFWSA-N 1 3 281.469 3.053 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)sn1 ZINC000638366559 378781491 /nfs/dbraw/zinc/78/14/91/378781491.db2.gz OICWUKCTMNOLLY-CYBMUJFWSA-N 1 3 281.469 3.053 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784740 218012977 /nfs/dbraw/zinc/01/29/77/218012977.db2.gz YJGSQYBONIURLL-LBTNJELSSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000274395236 378824890 /nfs/dbraw/zinc/82/48/90/378824890.db2.gz DJOOWKKILDJYNH-AWEZNQCLSA-N 1 3 294.414 3.276 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000274395236 378824894 /nfs/dbraw/zinc/82/48/94/378824894.db2.gz DJOOWKKILDJYNH-AWEZNQCLSA-N 1 3 294.414 3.276 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1C ZINC000346847422 218034849 /nfs/dbraw/zinc/03/48/49/218034849.db2.gz MLSDWCBPKVOTTF-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1C ZINC000346847422 218034851 /nfs/dbraw/zinc/03/48/51/218034851.db2.gz MLSDWCBPKVOTTF-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1C ZINC000346847422 218034852 /nfs/dbraw/zinc/03/48/52/218034852.db2.gz MLSDWCBPKVOTTF-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348249173 378864665 /nfs/dbraw/zinc/86/46/65/378864665.db2.gz UTMVYOBHTQCNKS-IAGOWNOFSA-N 1 3 260.425 3.110 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348267069 378875171 /nfs/dbraw/zinc/87/51/71/378875171.db2.gz ZKSWDBKWSGDRRM-KBAYOESNSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000274932846 378921496 /nfs/dbraw/zinc/92/14/96/378921496.db2.gz RGOBTASOGVQTBH-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO Cc1ccccc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000370132011 378986670 /nfs/dbraw/zinc/98/66/70/378986670.db2.gz MLEQKTYETREVRD-UHFFFAOYSA-N 1 3 258.409 3.102 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495556 379024320 /nfs/dbraw/zinc/02/43/20/379024320.db2.gz YYDJKCLQJGFDJT-FUHWJXTLSA-N 1 3 288.435 3.014 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495556 379024327 /nfs/dbraw/zinc/02/43/27/379024327.db2.gz YYDJKCLQJGFDJT-FUHWJXTLSA-N 1 3 288.435 3.014 20 0 CGADHO CC[N@H+](CCC[C@H]1CCO1)Cc1ccc(CN(C)C)cc1 ZINC000639171609 379092898 /nfs/dbraw/zinc/09/28/98/379092898.db2.gz XSKLWXGTCFAUSC-SFHVURJKSA-N 1 3 290.451 3.139 20 0 CGADHO CC[N@@H+](CCC[C@H]1CCO1)Cc1ccc(CN(C)C)cc1 ZINC000639171609 379092909 /nfs/dbraw/zinc/09/29/09/379092909.db2.gz XSKLWXGTCFAUSC-SFHVURJKSA-N 1 3 290.451 3.139 20 0 CGADHO CCC1(N(C)C)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000639379042 379337956 /nfs/dbraw/zinc/33/79/56/379337956.db2.gz LRIZXCIJOOZXDO-OAHLLOKOSA-N 1 3 250.430 3.149 20 0 CGADHO CCC1([NH+](C)C)CCN(C[C@@H]2CC=CCC2)CC1 ZINC000639379042 379337961 /nfs/dbraw/zinc/33/79/61/379337961.db2.gz LRIZXCIJOOZXDO-OAHLLOKOSA-N 1 3 250.430 3.149 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCCC12CCOCC2)N1CCCCC1 ZINC000376739227 379597716 /nfs/dbraw/zinc/59/77/16/379597716.db2.gz IDYKXFSHVRTGLN-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cccc(Cl)c3)C2)CC1 ZINC000639756223 379570451 /nfs/dbraw/zinc/57/04/51/379570451.db2.gz RUWMEWSFVOHBAV-UHFFFAOYSA-N 1 3 278.827 3.258 20 0 CGADHO C[C@H](N[C@@H]1CCCCC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000400364879 379949656 /nfs/dbraw/zinc/94/96/56/379949656.db2.gz DQNMKGYIJGPIHY-SOUVJXGZSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)[C@@H]1CCCN1 ZINC000400364879 379949660 /nfs/dbraw/zinc/94/96/60/379949660.db2.gz DQNMKGYIJGPIHY-SOUVJXGZSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2n[nH]cc2c1 ZINC000353199553 380163109 /nfs/dbraw/zinc/16/31/09/380163109.db2.gz JQFZCBSHTMDWFU-XJKSGUPXSA-N 1 3 286.423 3.088 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643031511 380205357 /nfs/dbraw/zinc/20/53/57/380205357.db2.gz QKUPRNGKGTWHAD-RDTXWAMCSA-N 1 3 295.430 3.294 20 0 CGADHO Fc1ccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643521907 380337540 /nfs/dbraw/zinc/33/75/40/380337540.db2.gz FERKGBYLAGRLTQ-CVEARBPZSA-N 1 3 262.372 3.009 20 0 CGADHO CO[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000643467461 380313509 /nfs/dbraw/zinc/31/35/09/380313509.db2.gz IWEPIUFKULFLKR-DAXOMENPSA-N 1 3 296.842 3.135 20 0 CGADHO CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCCCO1 ZINC000643466737 380313890 /nfs/dbraw/zinc/31/38/90/380313890.db2.gz LWQQGEMNQJPAQJ-GVDBMIGSSA-N 1 3 288.435 3.316 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548852 380365020 /nfs/dbraw/zinc/36/50/20/380365020.db2.gz WCODDSZHEPRHRV-NVXWUHKLSA-N 1 3 288.410 3.467 20 0 CGADHO C[C@H]1C[C@@H](CN(C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685074 380372744 /nfs/dbraw/zinc/37/27/44/380372744.db2.gz XSEYLJVSWHYAQC-STQMWFEESA-N 1 3 289.448 3.116 20 0 CGADHO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCCN ZINC000414707504 380381002 /nfs/dbraw/zinc/38/10/02/380381002.db2.gz ODUJRJUVOVCPFN-VXGBXAGGSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCCN ZINC000414707504 380381009 /nfs/dbraw/zinc/38/10/09/380381009.db2.gz ODUJRJUVOVCPFN-VXGBXAGGSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)CCC[NH3+] ZINC000414707504 380381014 /nfs/dbraw/zinc/38/10/14/380381014.db2.gz ODUJRJUVOVCPFN-VXGBXAGGSA-N 1 3 254.805 3.113 20 0 CGADHO CC[C@](C)(NC[C@@H]1CC[NH2+][C@H](C)C1)c1nc(C)cs1 ZINC000414713206 380385487 /nfs/dbraw/zinc/38/54/87/380385487.db2.gz TYTGQGGNJXQFPU-KYOSRNDESA-N 1 3 281.469 3.054 20 0 CGADHO C[C@@H]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)c2sccc21 ZINC000643522538 380339421 /nfs/dbraw/zinc/33/94/21/380339421.db2.gz OTSOTIWHIWIPRR-YRGRVCCFSA-N 1 3 264.438 3.418 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[NH2+]CC2)c2sccc21 ZINC000643522536 380339656 /nfs/dbraw/zinc/33/96/56/380339656.db2.gz OTSOTIWHIWIPRR-DYEKYZERSA-N 1 3 264.438 3.418 20 0 CGADHO Fc1ccc2c(c1)[C@H](N[C@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643533907 380348149 /nfs/dbraw/zinc/34/81/49/380348149.db2.gz HQXFQGYWCJCYMG-HIFRSBDPSA-N 1 3 292.423 3.094 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000643534606 380349789 /nfs/dbraw/zinc/34/97/89/380349789.db2.gz YSCOVUZHCLCLGJ-QMTHXVAHSA-N 1 3 282.790 3.272 20 0 CGADHO CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1F ZINC000643535714 380351842 /nfs/dbraw/zinc/35/18/42/380351842.db2.gz OXWJYUDCQBDLID-HUUCEWRRSA-N 1 3 262.372 3.009 20 0 CGADHO CCC([NH3+])(CC)CNCCSCc1ccccc1 ZINC000414812819 380423605 /nfs/dbraw/zinc/42/36/05/380423605.db2.gz RYFDJHNSNVORDL-UHFFFAOYSA-N 1 3 266.454 3.027 20 0 CGADHO CCC(N)(CC)C[NH2+]CCSCc1ccccc1 ZINC000414812819 380423612 /nfs/dbraw/zinc/42/36/12/380423612.db2.gz RYFDJHNSNVORDL-UHFFFAOYSA-N 1 3 266.454 3.027 20 0 CGADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414815335 380425642 /nfs/dbraw/zinc/42/56/42/380425642.db2.gz XGATWJFZMHGVJQ-CYBMUJFWSA-N 1 3 270.376 3.005 20 0 CGADHO CCCC1CCC(C[NH2+]C[C@@H]2CCCNC2)CC1 ZINC000414822255 380431700 /nfs/dbraw/zinc/43/17/00/380431700.db2.gz CMBJPKGGDURKLJ-UYSNPLJNSA-N 1 3 252.446 3.182 20 0 CGADHO Clc1scc(CNCC[C@H]2CC[NH2+]C2)c1Cl ZINC000414824546 380434303 /nfs/dbraw/zinc/43/43/03/380434303.db2.gz AVIMKGWVFLOREX-MRVPVSSYSA-N 1 3 279.236 3.144 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830126 380437297 /nfs/dbraw/zinc/43/72/97/380437297.db2.gz APYOXDFYMMKBGM-RYUDHWBXSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830126 380437298 /nfs/dbraw/zinc/43/72/98/380437298.db2.gz APYOXDFYMMKBGM-RYUDHWBXSA-N 1 3 288.357 3.082 20 0 CGADHO CCC[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414841989 380448359 /nfs/dbraw/zinc/44/83/59/380448359.db2.gz ZVKGYQAHALUGHC-HRBLRVMOSA-N 1 3 272.436 3.270 20 0 CGADHO CCOc1c(Cl)cccc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414846712 380452367 /nfs/dbraw/zinc/45/23/67/380452367.db2.gz UXQZJNWIRXYMBL-CYBMUJFWSA-N 1 3 296.842 3.218 20 0 CGADHO Fc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772788 380398903 /nfs/dbraw/zinc/39/89/03/380398903.db2.gz CLCUYRAIVLYIOK-ZIAGYGMSSA-N 1 3 296.817 3.301 20 0 CGADHO Fc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414787120 380404583 /nfs/dbraw/zinc/40/45/83/380404583.db2.gz UZBQISAJHLZWRH-ZIAGYGMSSA-N 1 3 296.817 3.301 20 0 CGADHO Clc1ccccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789643 380406526 /nfs/dbraw/zinc/40/65/26/380406526.db2.gz YJSWMRGGIVTAAA-KGLIPLIRSA-N 1 3 278.827 3.162 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000414802484 380414683 /nfs/dbraw/zinc/41/46/83/380414683.db2.gz IBODVRWPCAJEIA-DLBZAZTESA-N 1 3 282.472 3.092 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000414802485 380414735 /nfs/dbraw/zinc/41/47/35/380414735.db2.gz IBODVRWPCAJEIA-IAGOWNOFSA-N 1 3 282.472 3.092 20 0 CGADHO Cc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc2cccnc12 ZINC000414808659 380420314 /nfs/dbraw/zinc/42/03/14/380420314.db2.gz SLCGFKKJWQFMNY-IRXDYDNUSA-N 1 3 283.419 3.150 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1cccc(C)c1 ZINC000414809363 380421921 /nfs/dbraw/zinc/42/19/21/380421921.db2.gz MIAHGMHQCVOADP-HNNXBMFYSA-N 1 3 262.441 3.423 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000414915861 380488087 /nfs/dbraw/zinc/48/80/87/380488087.db2.gz NIQVAYJCSSKBDU-BDXSIMOUSA-N 1 3 272.436 3.257 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000414920554 380489514 /nfs/dbraw/zinc/48/95/14/380489514.db2.gz XZVGQHXNPMEYRN-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO CCSc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414927974 380491865 /nfs/dbraw/zinc/49/18/65/380491865.db2.gz PSFUBFXMPYLQIG-KGLIPLIRSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@H](C[NH2+]C1(C)CCNCC1)c1cccc(Cl)c1 ZINC000414938361 380498425 /nfs/dbraw/zinc/49/84/25/380498425.db2.gz IMBNHSRNHPDAPO-GFCCVEGCSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](CNC1(C)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000414938361 380498434 /nfs/dbraw/zinc/49/84/34/380498434.db2.gz IMBNHSRNHPDAPO-GFCCVEGCSA-N 1 3 266.816 3.175 20 0 CGADHO CC1([NH2+]CCCc2c(F)cccc2Cl)CCNCC1 ZINC000414947864 380501630 /nfs/dbraw/zinc/50/16/30/380501630.db2.gz XGQBLSVXUKIZIO-UHFFFAOYSA-N 1 3 284.806 3.143 20 0 CGADHO CC1(NCCCc2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000414947864 380501635 /nfs/dbraw/zinc/50/16/35/380501635.db2.gz XGQBLSVXUKIZIO-UHFFFAOYSA-N 1 3 284.806 3.143 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000414948798 380502613 /nfs/dbraw/zinc/50/26/13/380502613.db2.gz MNTFBDJLXLCMMM-ZOBUZTSGSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414948798 380502619 /nfs/dbraw/zinc/50/26/19/380502619.db2.gz MNTFBDJLXLCMMM-ZOBUZTSGSA-N 1 3 260.425 3.046 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)NCC1([NH3+])CCCCCC1 ZINC000414857934 380460555 /nfs/dbraw/zinc/46/05/55/380460555.db2.gz GRZJZZQKMDRHCH-AWEZNQCLSA-N 1 3 278.415 3.398 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414858681 380460581 /nfs/dbraw/zinc/46/05/81/380460581.db2.gz KPLCSPSRIWSETK-CABCVRRESA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414858681 380460588 /nfs/dbraw/zinc/46/05/88/380460588.db2.gz KPLCSPSRIWSETK-CABCVRRESA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414861283 380462141 /nfs/dbraw/zinc/46/21/41/380462141.db2.gz WJOUBWNPUUUSEQ-SOLBZPMBSA-N 1 3 274.452 3.233 20 0 CGADHO COc1ccccc1-c1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000414872872 380468490 /nfs/dbraw/zinc/46/84/90/380468490.db2.gz GKHXHDHYKRYSCN-AWEZNQCLSA-N 1 3 284.403 3.047 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(-c2ccccc2)cc1 ZINC000414874487 380468541 /nfs/dbraw/zinc/46/85/41/380468541.db2.gz BAWHGVQDWNLSHI-CQSZACIVSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(-c2ccccc2F)s1 ZINC000414879130 380472260 /nfs/dbraw/zinc/47/22/60/380472260.db2.gz PDQMEWPMDOTXOL-LLVKDONJSA-N 1 3 278.396 3.239 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)c1 ZINC000414900674 380482555 /nfs/dbraw/zinc/48/25/55/380482555.db2.gz FCOPHSSNAYTOGL-SJLPKXTDSA-N 1 3 274.452 3.295 20 0 CGADHO C[C@@H](CC[NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000414901358 380482857 /nfs/dbraw/zinc/48/28/57/380482857.db2.gz FWFIAKNBZCPINL-DOTOQJQBSA-N 1 3 260.425 3.160 20 0 CGADHO C[C@H](NCC1=CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000645854117 380753133 /nfs/dbraw/zinc/75/31/33/380753133.db2.gz VKTYLXRARXIWEA-GOEBONIOSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@H](NCC1=CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854117 380753138 /nfs/dbraw/zinc/75/31/38/380753138.db2.gz VKTYLXRARXIWEA-GOEBONIOSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@H]([NH2+]CC1=CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000645854117 380753143 /nfs/dbraw/zinc/75/31/43/380753143.db2.gz VKTYLXRARXIWEA-GOEBONIOSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@]2(C)CCOC2)CC1 ZINC000358713277 381324008 /nfs/dbraw/zinc/32/40/08/381324008.db2.gz KDXKBQZHPXOYCI-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000358713277 381324015 /nfs/dbraw/zinc/32/40/15/381324015.db2.gz KDXKBQZHPXOYCI-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000358409654 381310468 /nfs/dbraw/zinc/31/04/68/381310468.db2.gz WTUQQCQLGXQRGF-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358409654 381310471 /nfs/dbraw/zinc/31/04/71/381310471.db2.gz WTUQQCQLGXQRGF-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000358409654 381310473 /nfs/dbraw/zinc/31/04/73/381310473.db2.gz WTUQQCQLGXQRGF-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO Cc1cccc(CNC2CCC([NH3+])CC2)c1Br ZINC000334843281 207172278 /nfs/dbraw/zinc/17/22/78/207172278.db2.gz OGOQXIOMPOEHFJ-UHFFFAOYSA-N 1 3 297.240 3.117 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397947 381731165 /nfs/dbraw/zinc/73/11/65/381731165.db2.gz ZOJFFAMYRPJRIB-KSZLIROESA-N 1 3 272.436 3.206 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397947 381731171 /nfs/dbraw/zinc/73/11/71/381731171.db2.gz ZOJFFAMYRPJRIB-KSZLIROESA-N 1 3 272.436 3.206 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397947 381731178 /nfs/dbraw/zinc/73/11/78/381731178.db2.gz ZOJFFAMYRPJRIB-KSZLIROESA-N 1 3 272.436 3.206 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000424340601 296329182 /nfs/dbraw/zinc/32/91/82/296329182.db2.gz CVYLORXRRRUPDB-XHHISWJOSA-N 1 3 276.468 3.418 20 0 CGADHO CSc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000358038452 533040074 /nfs/dbraw/zinc/04/00/74/533040074.db2.gz GIAWQRPCOBNIKB-UHFFFAOYSA-N 1 3 278.465 3.182 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423333978 533366388 /nfs/dbraw/zinc/36/63/88/533366388.db2.gz FJPJYAPUUUOJFE-LLVKDONJSA-N 1 3 284.325 3.276 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423331363 533377995 /nfs/dbraw/zinc/37/79/95/533377995.db2.gz QBZSTKWYIGTYLL-LLVKDONJSA-N 1 3 293.411 3.339 20 0 CGADHO C[C@@H](NC[C@@H]([NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423328077 533410319 /nfs/dbraw/zinc/41/03/19/533410319.db2.gz RXQZWWHFIIRJHG-SASUGWTJSA-N 1 3 284.856 3.220 20 0 CGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423466466 533496686 /nfs/dbraw/zinc/49/66/86/533496686.db2.gz XFTYMMBLRJXODK-VHSXEESVSA-N 1 3 290.329 3.205 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Cl)cc1 ZINC000424298462 533519306 /nfs/dbraw/zinc/51/93/06/533519306.db2.gz DGCOYGQEUIATDK-LERXQTSPSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530051 533537318 /nfs/dbraw/zinc/53/73/18/533537318.db2.gz PCFPVOPOLCFAMK-RDTXWAMCSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000441356596 533622914 /nfs/dbraw/zinc/62/29/14/533622914.db2.gz MIHSGMRNUKBORQ-KZNAEPCWSA-N 1 3 296.499 3.388 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000441356596 533622919 /nfs/dbraw/zinc/62/29/19/533622919.db2.gz MIHSGMRNUKBORQ-KZNAEPCWSA-N 1 3 296.499 3.388 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)CC1 ZINC000392269284 542612998 /nfs/dbraw/zinc/61/29/98/542612998.db2.gz JYCYLNIDMXMMRL-GDBMZVCRSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)(CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133078 542627970 /nfs/dbraw/zinc/62/79/70/542627970.db2.gz XYEZSWHVRZOERN-ZBFHGGJFSA-N 1 3 264.457 3.277 20 0 CGADHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc12 ZINC000414921814 542640639 /nfs/dbraw/zinc/64/06/39/542640639.db2.gz FZOHLCKKOCEXAD-HUUCEWRRSA-N 1 3 284.403 3.208 20 0 CGADHO CCCCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414931806 542640971 /nfs/dbraw/zinc/64/09/71/542640971.db2.gz UZCPGXMRDBSJNA-CVEARBPZSA-N 1 3 276.424 3.225 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414975017 542641858 /nfs/dbraw/zinc/64/18/58/542641858.db2.gz FPILHQALYLCZFC-KRWDZBQOSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000415006653 542641889 /nfs/dbraw/zinc/64/18/89/542641889.db2.gz KUTDBTOBMNXPAG-KBPBESRZSA-N 1 3 254.377 3.179 20 0 CGADHO Cc1cc(C)c(CNC[C@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000057994063 392111254 /nfs/dbraw/zinc/11/12/54/392111254.db2.gz MVMLKEAGASGANG-HNNXBMFYSA-N 1 3 274.452 3.433 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000132234531 392460540 /nfs/dbraw/zinc/46/05/40/392460540.db2.gz JYYBJENSKNJXOG-UONOGXRCSA-N 1 3 278.399 3.426 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000367090532 392471074 /nfs/dbraw/zinc/47/10/74/392471074.db2.gz AFOCLADSGHZKJQ-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(OC)c1 ZINC000163232751 392602244 /nfs/dbraw/zinc/60/22/44/392602244.db2.gz QYMFFOJYHJNZSI-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232751 392602251 /nfs/dbraw/zinc/60/22/51/392602251.db2.gz QYMFFOJYHJNZSI-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(OC)c1 ZINC000163232751 392602258 /nfs/dbraw/zinc/60/22/58/392602258.db2.gz QYMFFOJYHJNZSI-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479358 392735220 /nfs/dbraw/zinc/73/52/20/392735220.db2.gz DITLJAFGLPEFLG-FUHWJXTLSA-N 1 3 286.463 3.428 20 0 CGADHO CC[C@H]1CN(CCCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647497364 392740933 /nfs/dbraw/zinc/74/09/33/392740933.db2.gz FAMPRRXWWXKCAC-FUHWJXTLSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498983 392742881 /nfs/dbraw/zinc/74/28/81/392742881.db2.gz WHCGYCGEOVACEM-WMZOPIPTSA-N 1 3 295.430 3.308 20 0 CGADHO c1ccc2oc([C@@H]3CCCN(C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513615 392745615 /nfs/dbraw/zinc/74/56/15/392745615.db2.gz PLRQGKWFQYEOFZ-HUUCEWRRSA-N 1 3 299.418 3.007 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543848 392759683 /nfs/dbraw/zinc/75/96/83/392759683.db2.gz SUMMCEFSSNDDOR-LSDHHAIUSA-N 1 3 294.389 3.176 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543676 392760772 /nfs/dbraw/zinc/76/07/72/392760772.db2.gz RALQEFGAWQWIPC-JKSUJKDBSA-N 1 3 290.426 3.346 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000647344738 392695532 /nfs/dbraw/zinc/69/55/32/392695532.db2.gz YEUITZWQAFHZCQ-OLMNPRSZSA-N 1 3 284.403 3.276 20 0 CGADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000647552672 392765878 /nfs/dbraw/zinc/76/58/78/392765878.db2.gz QJJBGHCDXGCFPC-HRCADAONSA-N 1 3 264.457 3.134 20 0 CGADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000647552672 392765880 /nfs/dbraw/zinc/76/58/80/392765880.db2.gz QJJBGHCDXGCFPC-HRCADAONSA-N 1 3 264.457 3.134 20 0 CGADHO Cc1cccc(CCCN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000181118477 392719283 /nfs/dbraw/zinc/71/92/83/392719283.db2.gz MEQOYQICOLSGHB-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000181118477 392719295 /nfs/dbraw/zinc/71/92/95/392719295.db2.gz MEQOYQICOLSGHB-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCC[N@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000181118477 392719304 /nfs/dbraw/zinc/71/93/04/392719304.db2.gz MEQOYQICOLSGHB-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO CCOc1cccc(CN2CCCC23CC[NH+](C)CC3)c1 ZINC000375507897 392787979 /nfs/dbraw/zinc/78/79/79/392787979.db2.gz QPKGMCFSIGPFTQ-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO CCOc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000375507897 392787983 /nfs/dbraw/zinc/78/79/83/392787983.db2.gz QPKGMCFSIGPFTQ-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO CCOc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000375507897 392787987 /nfs/dbraw/zinc/78/79/87/392787987.db2.gz QPKGMCFSIGPFTQ-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO c1ccc([C@H]2CCCCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647880999 392822240 /nfs/dbraw/zinc/82/22/40/392822240.db2.gz PZKWMVBTUWUGRK-DOTOQJQBSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000647957086 392843577 /nfs/dbraw/zinc/84/35/77/392843577.db2.gz MSYGXTDOKNPYEL-ROUUACIJSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000647957086 392843582 /nfs/dbraw/zinc/84/35/82/392843582.db2.gz MSYGXTDOKNPYEL-ROUUACIJSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957086 392843588 /nfs/dbraw/zinc/84/35/88/392843588.db2.gz MSYGXTDOKNPYEL-ROUUACIJSA-N 1 3 270.420 3.140 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@@H]2CC[NH2+]C2)c1C ZINC000647888030 392826652 /nfs/dbraw/zinc/82/66/52/392826652.db2.gz CYWPRYJNWVWCAO-NVXWUHKLSA-N 1 3 258.409 3.050 20 0 CGADHO CC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000647890821 392829189 /nfs/dbraw/zinc/82/91/89/392829189.db2.gz YZHIJKTUTONOIA-LZLYRXPVSA-N 1 3 272.436 3.112 20 0 CGADHO c1nc(C2CC2)c(C[NH2+]C2CCN(C3CCC3)CC2)s1 ZINC000486987002 542710209 /nfs/dbraw/zinc/71/02/09/542710209.db2.gz ZRQHRVLYILLYGB-UHFFFAOYSA-N 1 3 291.464 3.127 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccoc1 ZINC000519780234 392895230 /nfs/dbraw/zinc/89/52/30/392895230.db2.gz XAKIYZCFUHODHK-CQSZACIVSA-N 1 3 250.386 3.196 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000392298564 392929678 /nfs/dbraw/zinc/92/96/78/392929678.db2.gz XRSTYCNEDKWTJX-MRXNPFEDSA-N 1 3 262.441 3.341 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@H+](C)[C@H]2CCCNCC2)C1 ZINC000394551603 392938220 /nfs/dbraw/zinc/93/82/20/392938220.db2.gz ZKFZSTOYEVKDDF-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CCCNCC2)C1 ZINC000394551603 392938224 /nfs/dbraw/zinc/93/82/24/392938224.db2.gz ZKFZSTOYEVKDDF-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000514104461 542734013 /nfs/dbraw/zinc/73/40/13/542734013.db2.gz KAJJYSSXKAZZJQ-MSOLQXFVSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]1CCCC[C@H]1C[NH2+]CC1=CCN(C)CC1 ZINC000401493075 392951413 /nfs/dbraw/zinc/95/14/13/392951413.db2.gz ZQVHQUFSFWMRHN-HOTGVXAUSA-N 1 3 250.430 3.054 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2c(Cl)cccc2Cl)C1 ZINC000517176710 542736474 /nfs/dbraw/zinc/73/64/74/542736474.db2.gz QEFIUSWNDADKFX-GHMZBOCLSA-N 1 3 287.234 3.395 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000224113754 393011010 /nfs/dbraw/zinc/01/10/10/393011010.db2.gz VIKOJLNRJNIREZ-YSVLISHTSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000224113754 393011015 /nfs/dbraw/zinc/01/10/15/393011015.db2.gz VIKOJLNRJNIREZ-YSVLISHTSA-N 1 3 258.409 3.055 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414990107 393082768 /nfs/dbraw/zinc/08/27/68/393082768.db2.gz ORLDEXGXUJCCIT-ZNMIVQPWSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000415006608 393089010 /nfs/dbraw/zinc/08/90/10/393089010.db2.gz KQWUGNKCOONQSD-ZIAGYGMSSA-N 1 3 254.377 3.179 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2ccc(F)cc2Cl)C1 ZINC000415006018 393089030 /nfs/dbraw/zinc/08/90/30/393089030.db2.gz ZVNWTQCFYBRLRC-GWCFXTLKSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000415004280 393089697 /nfs/dbraw/zinc/08/96/97/393089697.db2.gz HKPYVESQIXFASU-GHMZBOCLSA-N 1 3 278.396 3.380 20 0 CGADHO CCC[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415010479 393093187 /nfs/dbraw/zinc/09/31/87/393093187.db2.gz UYAZBPYWJLLTHN-JLJPHGGASA-N 1 3 278.415 3.297 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2c(F)cccc2Cl)CC1 ZINC000415024266 393101673 /nfs/dbraw/zinc/10/16/73/393101673.db2.gz MYHKVCWVZVQVJX-HAQNSBGRSA-N 1 3 284.806 3.334 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1csc(-c2ccccc2)n1 ZINC000415023988 393101691 /nfs/dbraw/zinc/10/16/91/393101691.db2.gz NVSGDEZPGBBXMQ-LBPRGKRZSA-N 1 3 275.421 3.027 20 0 CGADHO C[C@H](CCC[NH3+])NCc1ccc(Cl)cc1Cl ZINC000415026769 393102653 /nfs/dbraw/zinc/10/26/53/393102653.db2.gz VHURTTJADOMFCB-SECBINFHSA-N 1 3 261.196 3.210 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1ccc(F)c(Cl)c1Cl ZINC000415028981 393103185 /nfs/dbraw/zinc/10/31/85/393103185.db2.gz ZQLIHNGAAOUJQM-QMMMGPOBSA-N 1 3 279.186 3.350 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000414806386 393055501 /nfs/dbraw/zinc/05/55/01/393055501.db2.gz QCZQOKFIUKUFSO-VXLLPVPCSA-N 1 3 258.409 3.040 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000414809892 393055514 /nfs/dbraw/zinc/05/55/14/393055514.db2.gz UUFPQHATYVMSQL-BHDPWAOGSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000414951076 393061642 /nfs/dbraw/zinc/06/16/42/393061642.db2.gz GSGBKJUODZLGCI-CJNGLKHVSA-N 1 3 260.425 3.072 20 0 CGADHO Fc1cc(Cl)ccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414958520 393064633 /nfs/dbraw/zinc/06/46/33/393064633.db2.gz DFYBZZNTKNPFQN-CYBMUJFWSA-N 1 3 270.779 3.101 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCNCC1(C)C)c1ccccc1 ZINC000414963249 393068658 /nfs/dbraw/zinc/06/86/58/393068658.db2.gz CYXHAWKDBIGNSX-ZBFHGGJFSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCNCC1(C)C ZINC000414967209 393071542 /nfs/dbraw/zinc/07/15/42/393071542.db2.gz HCRPZOVPVPWMJM-DOTOQJQBSA-N 1 3 274.452 3.233 20 0 CGADHO CCOc1c(Cl)cccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414969190 393073791 /nfs/dbraw/zinc/07/37/91/393073791.db2.gz SLAWKSJUERZFLW-CQSZACIVSA-N 1 3 296.842 3.361 20 0 CGADHO Brc1ccccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414978223 393077769 /nfs/dbraw/zinc/07/77/69/393077769.db2.gz SUZWFKDAVDBOEB-CYBMUJFWSA-N 1 3 297.240 3.071 20 0 CGADHO CC(C)(C)[C@H](CN)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000415050407 393112491 /nfs/dbraw/zinc/11/24/91/393112491.db2.gz CIOJASWHVATAJQ-LBPRGKRZSA-N 1 3 295.477 3.335 20 0 CGADHO Cc1ncc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415050632 393112921 /nfs/dbraw/zinc/11/29/21/393112921.db2.gz IWSGPUSYVXNUMZ-OAHLLOKOSA-N 1 3 275.421 3.021 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000415048691 393113425 /nfs/dbraw/zinc/11/34/25/393113425.db2.gz XEVDSXZCUUPGIF-BXKDBHETSA-N 1 3 273.207 3.210 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648585352 393114356 /nfs/dbraw/zinc/11/43/56/393114356.db2.gz BBBWITRTGKWUSV-QFBILLFUSA-N 1 3 286.463 3.254 20 0 CGADHO CCc1ncc(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415057589 393119339 /nfs/dbraw/zinc/11/93/39/393119339.db2.gz RSZQMFDNALEFER-OAHLLOKOSA-N 1 3 289.448 3.275 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000415073205 393130372 /nfs/dbraw/zinc/13/03/72/393130372.db2.gz NFJOKTAAJQTTRP-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO CCCCC1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000415083622 393136568 /nfs/dbraw/zinc/13/65/68/393136568.db2.gz NXFMFZRNTCXUHC-PCKAHOCUSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000415087283 393139416 /nfs/dbraw/zinc/13/94/16/393139416.db2.gz SRUVYUWUPLDXBW-GOEBONIOSA-N 1 3 262.441 3.316 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000415089584 393140128 /nfs/dbraw/zinc/14/01/28/393140128.db2.gz YYHSHZWAYHOJFU-WMZOPIPTSA-N 1 3 272.436 3.130 20 0 CGADHO CCCCC1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000415088266 393140598 /nfs/dbraw/zinc/14/05/98/393140598.db2.gz WAGQIEJFLGBXNJ-PCKAHOCUSA-N 1 3 252.446 3.325 20 0 CGADHO CC1CCC(OC2CCN(C[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000262037155 393145045 /nfs/dbraw/zinc/14/50/45/393145045.db2.gz XWPORRNVCCTXCX-CGZBRXJRSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000415121697 393150948 /nfs/dbraw/zinc/15/09/48/393150948.db2.gz ZHLMTVDDKKTHHD-MRXNPFEDSA-N 1 3 290.451 3.095 20 0 CGADHO CC1CCC(C)(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000355412057 393311207 /nfs/dbraw/zinc/31/12/07/393311207.db2.gz APWQVXXLLCVQNZ-YZUHTNEWSA-N 1 3 264.457 3.419 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CCOCC1 ZINC000474800665 393348749 /nfs/dbraw/zinc/34/87/49/393348749.db2.gz URWYOXSEILYUBE-SZMVWBNQSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H](C[N@@H+]1CCCC12CCN(C)CC2)c1ccc(F)cc1 ZINC000475122592 393374239 /nfs/dbraw/zinc/37/42/39/393374239.db2.gz UENKBGTWZNTFEI-HNNXBMFYSA-N 1 3 290.426 3.489 20 0 CGADHO C[C@@H](C[N@H+]1CCCC12CCN(C)CC2)c1ccc(F)cc1 ZINC000475122592 393374248 /nfs/dbraw/zinc/37/42/48/393374248.db2.gz UENKBGTWZNTFEI-HNNXBMFYSA-N 1 3 290.426 3.489 20 0 CGADHO Fc1cccc(CCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420379976 393480366 /nfs/dbraw/zinc/48/03/66/393480366.db2.gz BXIDVHFCRFSVDN-SJLPKXTDSA-N 1 3 290.426 3.222 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCC2 ZINC000425943389 393445892 /nfs/dbraw/zinc/44/58/92/393445892.db2.gz IQXLYZWNSAEVGH-PBHICJAKSA-N 1 3 260.425 3.160 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H](C)C[NH+](C)C)CCC2 ZINC000425943389 393445895 /nfs/dbraw/zinc/44/58/95/393445895.db2.gz IQXLYZWNSAEVGH-PBHICJAKSA-N 1 3 260.425 3.160 20 0 CGADHO CCC1(C)CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420296824 393453736 /nfs/dbraw/zinc/45/37/36/393453736.db2.gz FCVJPGVCNPJUCX-INIZCTEOSA-N 1 3 290.451 3.250 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320241 393465758 /nfs/dbraw/zinc/46/57/58/393465758.db2.gz BBMKMADDYRUMRK-YUELXQCFSA-N 1 3 294.389 3.347 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(C)Cc2ccccc2C)cc1 ZINC000420328321 393468184 /nfs/dbraw/zinc/46/81/84/393468184.db2.gz ZDTHUEBTZLKODK-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2ccccc2C)cc1 ZINC000420328321 393468191 /nfs/dbraw/zinc/46/81/91/393468191.db2.gz ZDTHUEBTZLKODK-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000420328321 393468197 /nfs/dbraw/zinc/46/81/97/393468197.db2.gz ZDTHUEBTZLKODK-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO Fc1ccc(Cl)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333393 393470823 /nfs/dbraw/zinc/47/08/23/393470823.db2.gz SSZKSGQWRDTVGW-STQMWFEESA-N 1 3 296.817 3.301 20 0 CGADHO COC1(C[C@@H](C)[NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000429507972 393471526 /nfs/dbraw/zinc/47/15/26/393471526.db2.gz ASQVKXXDJCYBKW-IXDOHACOSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1F ZINC000420405041 393485134 /nfs/dbraw/zinc/48/51/34/393485134.db2.gz MSNOJTPINKIINL-NEPJUHHUSA-N 1 3 268.351 3.005 20 0 CGADHO CC[C@@H]1C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)CCO1 ZINC000356914977 393504223 /nfs/dbraw/zinc/50/42/23/393504223.db2.gz IDHGOCNWWXXXSS-FUHWJXTLSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H]1C[C@H]1C[NH2+]C(C)(C)CCN1CCCCCC1 ZINC000488548320 393537119 /nfs/dbraw/zinc/53/71/19/393537119.db2.gz UGUYBTVHVPMQCZ-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCSc2ccc(Cl)cc2)C1 ZINC000430560832 393575249 /nfs/dbraw/zinc/57/52/49/393575249.db2.gz XNSPAKDMGIMAQS-OLZOCXBDSA-N 1 3 298.883 3.491 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCCOc1cccc(C(C)(C)C)c1 ZINC000430541535 393572529 /nfs/dbraw/zinc/57/25/29/393572529.db2.gz BJHJSGSWXHVRRG-SFHVURJKSA-N 1 3 292.467 3.326 20 0 CGADHO Clc1cscc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000666903294 542824818 /nfs/dbraw/zinc/82/48/18/542824818.db2.gz RJIGCNZHIKKXJO-LLVKDONJSA-N 1 3 258.818 3.023 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000666858958 542821521 /nfs/dbraw/zinc/82/15/21/542821521.db2.gz ODQOJWKDXDXIOZ-BZSNNMDCSA-N 1 3 272.436 3.229 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCNCC1 ZINC000666857637 542821826 /nfs/dbraw/zinc/82/18/26/542821826.db2.gz CJLUSACQPSIMMT-IRXDYDNUSA-N 1 3 260.425 3.048 20 0 CGADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1cccc(OC)c1 ZINC000360853528 393598623 /nfs/dbraw/zinc/59/86/23/393598623.db2.gz AUWZBZIOXJLEMP-CJNGLKHVSA-N 1 3 264.413 3.076 20 0 CGADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420820 393612698 /nfs/dbraw/zinc/61/26/98/393612698.db2.gz DEAJYNPMUQCLAT-GJZGRUSLSA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420820 393612703 /nfs/dbraw/zinc/61/27/03/393612703.db2.gz DEAJYNPMUQCLAT-GJZGRUSLSA-N 1 3 296.480 3.290 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423089796 393650254 /nfs/dbraw/zinc/65/02/54/393650254.db2.gz WAPZURVWFRIMBK-WCZJQEMASA-N 1 3 290.426 3.440 20 0 CGADHO CC[C@@H](NC1CCC(CSC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423156589 393653592 /nfs/dbraw/zinc/65/35/92/393653592.db2.gz LGIPTHYMYZBOOZ-CVSAEHQPSA-N 1 3 270.486 3.028 20 0 CGADHO CC[C@@H]([NH2+]C1CCC(CSC)CC1)[C@@H]1CCCN1 ZINC000423156589 393653596 /nfs/dbraw/zinc/65/35/96/393653596.db2.gz LGIPTHYMYZBOOZ-CVSAEHQPSA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CC1 ZINC000423212976 393654591 /nfs/dbraw/zinc/65/45/91/393654591.db2.gz JLCUOYPTERBVLI-BPUTZDHNSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423278018 393658844 /nfs/dbraw/zinc/65/88/44/393658844.db2.gz QJBSEIQZLSPCJP-KGLIPLIRSA-N 1 3 297.240 3.009 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C[C@H](N)C2CC2)c2ccccc21 ZINC000423312853 393661077 /nfs/dbraw/zinc/66/10/77/393661077.db2.gz DVYDVEXVKXPRRC-HOTGVXAUSA-N 1 3 258.409 3.126 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423440709 393667599 /nfs/dbraw/zinc/66/75/99/393667599.db2.gz AWUQMODXXZQNGG-JSGCOSHPSA-N 1 3 297.240 3.153 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000423476515 393670235 /nfs/dbraw/zinc/67/02/35/393670235.db2.gz SOGPYDWUIBUDIE-OLZOCXBDSA-N 1 3 297.240 3.072 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000443434971 393757094 /nfs/dbraw/zinc/75/70/94/393757094.db2.gz FPZMMNDKXWIZFC-HZPDHXFCSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000443434971 393757097 /nfs/dbraw/zinc/75/70/97/393757097.db2.gz FPZMMNDKXWIZFC-HZPDHXFCSA-N 1 3 295.430 3.312 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)COC(C)C ZINC000501469059 393854487 /nfs/dbraw/zinc/85/44/87/393854487.db2.gz DQEQKUIAVXOPCY-IKGGRYGDSA-N 1 3 284.488 3.290 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)COC(C)C ZINC000501469059 393854490 /nfs/dbraw/zinc/85/44/90/393854490.db2.gz DQEQKUIAVXOPCY-IKGGRYGDSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666993887 542832924 /nfs/dbraw/zinc/83/29/24/542832924.db2.gz QYINTDGANITHGP-ILXRZTDVSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCC(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666996826 542833378 /nfs/dbraw/zinc/83/33/78/542833378.db2.gz HNPCGZMOQAKXLO-OAHLLOKOSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000451405761 394045296 /nfs/dbraw/zinc/04/52/96/394045296.db2.gz ISQIWSIKDJSDFD-JHJVBQTASA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCCN1C ZINC000451405761 394045300 /nfs/dbraw/zinc/04/53/00/394045300.db2.gz ISQIWSIKDJSDFD-JHJVBQTASA-N 1 3 278.362 3.134 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccncc1 ZINC000453068192 394160708 /nfs/dbraw/zinc/16/07/08/394160708.db2.gz XOPCMJRTDXVMJZ-DOTOQJQBSA-N 1 3 275.440 3.244 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453080416 394163926 /nfs/dbraw/zinc/16/39/26/394163926.db2.gz LTZNZXSWBBITNQ-UKRRQHHQSA-N 1 3 296.480 3.244 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453080416 394163933 /nfs/dbraw/zinc/16/39/33/394163933.db2.gz LTZNZXSWBBITNQ-UKRRQHHQSA-N 1 3 296.480 3.244 20 0 CGADHO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000042857984 134897803 /nfs/dbraw/zinc/89/78/03/134897803.db2.gz XOAHSQRMMZQHIA-JKSUJKDBSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000668818167 543066369 /nfs/dbraw/zinc/06/63/69/543066369.db2.gz FRGNQVWAPOQULU-GDBMZVCRSA-N 1 3 266.473 3.380 20 0 CGADHO CC(C)C(C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)C(C)C ZINC000671306610 543168850 /nfs/dbraw/zinc/16/88/50/543168850.db2.gz SAAYSHFJBYAACS-DOTOQJQBSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C(C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)C(C)C ZINC000671306610 543168852 /nfs/dbraw/zinc/16/88/52/543168852.db2.gz SAAYSHFJBYAACS-DOTOQJQBSA-N 1 3 266.473 3.331 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000037916143 397609775 /nfs/dbraw/zinc/60/97/75/397609775.db2.gz JTFXPRLYXLVHTH-MSOLQXFVSA-N 1 3 272.436 3.267 20 0 CGADHO CC[C@H]1CN(Cc2c(OC)ccc3ccccc32)CC[C@@H]1[NH3+] ZINC000387608339 397690404 /nfs/dbraw/zinc/69/04/04/397690404.db2.gz XRIAYCHREZGTET-KSSFIOAISA-N 1 3 298.430 3.408 20 0 CGADHO Fc1ccccc1C[C@@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000650715032 397899945 /nfs/dbraw/zinc/89/99/45/397899945.db2.gz MAQRULJHHNRXCE-RDJZCZTQSA-N 1 3 290.426 3.222 20 0 CGADHO CCOc1ccc(CNCc2ccccc2C[NH2+]C)cc1 ZINC000650718683 397901411 /nfs/dbraw/zinc/90/14/11/397901411.db2.gz SUXIKEBHFILIOE-UHFFFAOYSA-N 1 3 284.403 3.095 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650742321 397904934 /nfs/dbraw/zinc/90/49/34/397904934.db2.gz VWDDYHGKUAMNNW-UYJHQMFVSA-N 1 3 264.457 3.321 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000650758587 397911272 /nfs/dbraw/zinc/91/12/72/397911272.db2.gz SSEPLEJMOMPWHT-GOSISDBHSA-N 1 3 284.378 3.322 20 0 CGADHO COC[C@H](NCCC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000650762068 397911805 /nfs/dbraw/zinc/91/18/05/397911805.db2.gz RVJLRSJKLWWKOM-INIZCTEOSA-N 1 3 296.842 3.007 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000552281252 289177863 /nfs/dbraw/zinc/17/78/63/289177863.db2.gz NWQZOQJOBAOPSK-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000552281252 289177865 /nfs/dbraw/zinc/17/78/65/289177865.db2.gz NWQZOQJOBAOPSK-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678121061 543484625 /nfs/dbraw/zinc/48/46/25/543484625.db2.gz YOAYWUJOQJQNPJ-HOTGVXAUSA-N 1 3 290.451 3.105 20 0 CGADHO CCOCCC1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422892660 286048101 /nfs/dbraw/zinc/04/81/01/286048101.db2.gz ZANDNZVQXPJZHW-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905552 298384189 /nfs/dbraw/zinc/38/41/89/298384189.db2.gz LLOKXRLRDGWRDA-VXGBXAGGSA-N 1 3 266.351 3.087 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000359941288 287022406 /nfs/dbraw/zinc/02/24/06/287022406.db2.gz KECSWFXWDQRXNH-UONOGXRCSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000359941288 287022408 /nfs/dbraw/zinc/02/24/08/287022408.db2.gz KECSWFXWDQRXNH-UONOGXRCSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000271278488 287022938 /nfs/dbraw/zinc/02/29/38/287022938.db2.gz BWTZRLYDVVKUSC-LSDHHAIUSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000271278488 287022940 /nfs/dbraw/zinc/02/29/40/287022940.db2.gz BWTZRLYDVVKUSC-LSDHHAIUSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000183193212 287050023 /nfs/dbraw/zinc/05/00/23/287050023.db2.gz DRXFTILOEKGRHW-IJEWVQPXSA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000080426582 287065215 /nfs/dbraw/zinc/06/52/15/287065215.db2.gz SIJSBVZQEASVJA-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081571111 287074495 /nfs/dbraw/zinc/07/44/95/287074495.db2.gz HMKCCZQIAYZRAQ-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000081571111 287074496 /nfs/dbraw/zinc/07/44/96/287074496.db2.gz HMKCCZQIAYZRAQ-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CCC2CCCC2)C1 ZINC000081571111 287074499 /nfs/dbraw/zinc/07/44/99/287074499.db2.gz HMKCCZQIAYZRAQ-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCC2CCCC2)C1 ZINC000081571111 287074500 /nfs/dbraw/zinc/07/45/00/287074500.db2.gz HMKCCZQIAYZRAQ-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C(C)C ZINC000090586452 287102884 /nfs/dbraw/zinc/10/28/84/287102884.db2.gz NJYHJYWDPWHNNY-JKSUJKDBSA-N 1 3 254.462 3.379 20 0 CGADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000093067048 287114837 /nfs/dbraw/zinc/11/48/37/287114837.db2.gz PZZUGLBGEDLWAN-AEFFLSMTSA-N 1 3 274.452 3.187 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000094875346 165394189 /nfs/dbraw/zinc/39/41/89/165394189.db2.gz BAPPGMNVDASQPR-QLFBSQMISA-N 1 3 278.465 3.457 20 0 CGADHO C[C@@H](c1c(F)cccc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000070169807 287128663 /nfs/dbraw/zinc/12/86/63/287128663.db2.gz VJCKJRJPIFYZLG-NWDGAFQWSA-N 1 3 268.351 3.087 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000020129143 171017418 /nfs/dbraw/zinc/01/74/18/171017418.db2.gz JWHYFIGVRNRYSF-SFHVURJKSA-N 1 3 288.435 3.148 20 0 CGADHO c1cc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2o1 ZINC000285434787 196283360 /nfs/dbraw/zinc/28/33/60/196283360.db2.gz KVXHUVWSXFUUCA-UHFFFAOYSA-N 1 3 284.403 3.397 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C)c1 ZINC000285719782 196377483 /nfs/dbraw/zinc/37/74/83/196377483.db2.gz QCBZDZPWUCSSHT-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(C)c1 ZINC000285719782 196377484 /nfs/dbraw/zinc/37/74/84/196377484.db2.gz QCBZDZPWUCSSHT-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719782 196377486 /nfs/dbraw/zinc/37/74/86/196377486.db2.gz QCBZDZPWUCSSHT-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(C)s2)CC1 ZINC000038097986 174112553 /nfs/dbraw/zinc/11/25/53/174112553.db2.gz RNBZNGCYVFPZAQ-LBPRGKRZSA-N 1 3 252.427 3.191 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC23CC3)CC1 ZINC000424315218 287311238 /nfs/dbraw/zinc/31/12/38/287311238.db2.gz DHEWZJZCXQCRPY-FVQBIDKESA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000424315218 287311239 /nfs/dbraw/zinc/31/12/39/287311239.db2.gz DHEWZJZCXQCRPY-FVQBIDKESA-N 1 3 262.441 3.172 20 0 CGADHO Cc1cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000404429443 416553559 /nfs/dbraw/zinc/55/35/59/416553559.db2.gz NRAXPJILXOLECQ-XHDPSFHLSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CCN)c(C)s1 ZINC000404429443 416553563 /nfs/dbraw/zinc/55/35/63/416553563.db2.gz NRAXPJILXOLECQ-XHDPSFHLSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCN)c(C)s1 ZINC000404429443 416553568 /nfs/dbraw/zinc/55/35/68/416553568.db2.gz NRAXPJILXOLECQ-XHDPSFHLSA-N 1 3 266.454 3.314 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCNCC1 ZINC000679463162 543637407 /nfs/dbraw/zinc/63/74/07/543637407.db2.gz QBUMHXDGWSXJGA-WFASDCNBSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000679463162 543637410 /nfs/dbraw/zinc/63/74/10/543637410.db2.gz QBUMHXDGWSXJGA-WFASDCNBSA-N 1 3 266.816 3.003 20 0 CGADHO CC(C)(C)CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000682029626 543817145 /nfs/dbraw/zinc/81/71/45/543817145.db2.gz UYJMVGBKPUEACS-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682073947 543820940 /nfs/dbraw/zinc/82/09/40/543820940.db2.gz POZDIENGYDUADV-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682073947 543820944 /nfs/dbraw/zinc/82/09/44/543820944.db2.gz POZDIENGYDUADV-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000682916180 543878216 /nfs/dbraw/zinc/87/82/16/543878216.db2.gz IBHYXYNPHNFLAF-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc(CCC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000684572252 544014713 /nfs/dbraw/zinc/01/47/13/544014713.db2.gz QFVOOCJGHUZZEB-UHFFFAOYSA-N 1 3 295.430 3.227 20 0 CGADHO c1ccc(CCC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000684572252 544014716 /nfs/dbraw/zinc/01/47/16/544014716.db2.gz QFVOOCJGHUZZEB-UHFFFAOYSA-N 1 3 295.430 3.227 20 0 CGADHO CCC[NH+]1CCC(CN[C@H]2CCCc3cccnc32)CC1 ZINC000684955611 544044592 /nfs/dbraw/zinc/04/45/92/544044592.db2.gz PHBRTVMIQNEYCF-KRWDZBQOSA-N 1 3 287.451 3.171 20 0 CGADHO c1cc2c(o1)CCC[C@@H]2NCC1CC[NH+](CC2CC2)CC1 ZINC000658356908 418950532 /nfs/dbraw/zinc/95/05/32/418950532.db2.gz QDWKEVGCICGVJH-KRWDZBQOSA-N 1 3 288.435 3.369 20 0 CGADHO CC1(C)C[C@@H](N2CCC(C[NH+]3CCCCCC3)CC2)CO1 ZINC000659836883 419006503 /nfs/dbraw/zinc/00/65/03/419006503.db2.gz BSQNWXPCZHUYKR-QGZVFWFLSA-N 1 3 294.483 3.142 20 0 CGADHO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665236301 419086798 /nfs/dbraw/zinc/08/67/98/419086798.db2.gz JZLAWSMYWSYPRN-WCQYABFASA-N 1 3 263.429 3.324 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232882 419087536 /nfs/dbraw/zinc/08/75/36/419087536.db2.gz WWTPKUGISHFXRY-JOCBIADPSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H]1c2ccccc2C[C@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665244618 419090730 /nfs/dbraw/zinc/09/07/30/419090730.db2.gz RYRSXEPMKGRKND-RCUQFMMVSA-N 1 3 278.399 3.449 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)NCC1([NH3+])CCCC1 ZINC000665246627 419090928 /nfs/dbraw/zinc/09/09/28/419090928.db2.gz JXMYRKVOBSCMPX-GFCCVEGCSA-N 1 3 282.378 3.147 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1(F)F ZINC000665274628 419097646 /nfs/dbraw/zinc/09/76/46/419097646.db2.gz URPSTVZZDJUINS-AGIUHOORSA-N 1 3 266.335 3.012 20 0 CGADHO CO[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000665275979 419100178 /nfs/dbraw/zinc/10/01/78/419100178.db2.gz WOFWJAUTURXQQV-DJIMGWMZSA-N 1 3 282.472 3.092 20 0 CGADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000655805318 419101277 /nfs/dbraw/zinc/10/12/77/419101277.db2.gz LTURIIHSSMWOKZ-RWMBFGLXSA-N 1 3 293.480 3.013 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000665280901 419101298 /nfs/dbraw/zinc/10/12/98/419101298.db2.gz OGKKGICERQXCDF-HUUCEWRRSA-N 1 3 266.816 3.290 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000665279629 419101813 /nfs/dbraw/zinc/10/18/13/419101813.db2.gz HUQKGVOHUQXYMK-SMDDNHRTSA-N 1 3 286.366 3.312 20 0 CGADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C1(c2ccccc2)CCCC1 ZINC000665279184 419101897 /nfs/dbraw/zinc/10/18/97/419101897.db2.gz YSPISJVQZZFBRK-KLHKWILBSA-N 1 3 284.447 3.229 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](COCc1ccccc1)C(C)C ZINC000665281601 419102978 /nfs/dbraw/zinc/10/29/78/419102978.db2.gz HNKFFGOFCNEVKE-QZTJIDSGSA-N 1 3 292.467 3.191 20 0 CGADHO COCC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000655817214 419106526 /nfs/dbraw/zinc/10/65/26/419106526.db2.gz IVBZPHCMERDNLV-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cc(F)c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000655824123 419109009 /nfs/dbraw/zinc/10/90/09/419109009.db2.gz FUIITDXFIAZONR-TXEJJXNPSA-N 1 3 284.806 3.217 20 0 CGADHO C[C@@H](NCC(C)(C)CC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000665301186 419111880 /nfs/dbraw/zinc/11/18/80/419111880.db2.gz QVOCOAFKLRCBBE-GHMZBOCLSA-N 1 3 266.351 3.085 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](CC)CC(F)F)C1 ZINC000659982728 419053035 /nfs/dbraw/zinc/05/30/35/419053035.db2.gz VQAQRMCJLVODTC-KBPBESRZSA-N 1 3 276.415 3.332 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](CC)CC(F)F)C1 ZINC000659982728 419053038 /nfs/dbraw/zinc/05/30/38/419053038.db2.gz VQAQRMCJLVODTC-KBPBESRZSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982728 419053039 /nfs/dbraw/zinc/05/30/39/419053039.db2.gz VQAQRMCJLVODTC-KBPBESRZSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982728 419053041 /nfs/dbraw/zinc/05/30/41/419053041.db2.gz VQAQRMCJLVODTC-KBPBESRZSA-N 1 3 276.415 3.332 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CS1 ZINC000655682963 419063627 /nfs/dbraw/zinc/06/36/27/419063627.db2.gz OCNBQZNOINFZTP-ZNMIVQPWSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000655682963 419063631 /nfs/dbraw/zinc/06/36/31/419063631.db2.gz OCNBQZNOINFZTP-ZNMIVQPWSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@H](NCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000655682963 419063634 /nfs/dbraw/zinc/06/36/34/419063634.db2.gz OCNBQZNOINFZTP-ZNMIVQPWSA-N 1 3 270.486 3.125 20 0 CGADHO C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000655948708 419129173 /nfs/dbraw/zinc/12/91/73/419129173.db2.gz AGFLKZUVHCSBFO-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000655948708 419129175 /nfs/dbraw/zinc/12/91/75/419129175.db2.gz AGFLKZUVHCSBFO-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc3ccsc32)C1 ZINC000656200042 419149806 /nfs/dbraw/zinc/14/98/06/419149806.db2.gz FFARBIHJGPVBBD-UONOGXRCSA-N 1 3 260.406 3.261 20 0 CGADHO COCc1csc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000657317555 419249637 /nfs/dbraw/zinc/24/96/37/419249637.db2.gz ZBMRTSLKKFUEDU-UHFFFAOYSA-N 1 3 296.480 3.247 20 0 CGADHO NC1(C[NH2+]Cc2cccc3ccccc32)CCCC1 ZINC000656788260 419219299 /nfs/dbraw/zinc/21/92/99/419219299.db2.gz GYACMDQIPMSSBP-UHFFFAOYSA-N 1 3 254.377 3.201 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656786615 419219523 /nfs/dbraw/zinc/21/95/23/419219523.db2.gz OIZOBSPKYQFPLS-KBXCAEBGSA-N 1 3 272.436 3.432 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)NCC1([NH3+])CCCC1 ZINC000656788977 419220498 /nfs/dbraw/zinc/22/04/98/419220498.db2.gz HJNYKFWWUUMDEP-MRXNPFEDSA-N 1 3 260.425 3.177 20 0 CGADHO C[C@H](CCc1cccc(F)c1)NCC1([NH3+])CCCC1 ZINC000656789085 419220821 /nfs/dbraw/zinc/22/08/21/419220821.db2.gz IQFBSJJINPVMLB-CYBMUJFWSA-N 1 3 264.388 3.008 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)C2 ZINC000656792474 419222318 /nfs/dbraw/zinc/22/23/18/419222318.db2.gz RHQXZPRRDLCOFW-MMTVNHQJSA-N 1 3 258.409 3.088 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC([C@H]2CCCCO2)CC1 ZINC000661870026 419310163 /nfs/dbraw/zinc/31/01/63/419310163.db2.gz BCAOIFNRIZWRQV-QZTJIDSGSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CCC([C@H]2CCCCO2)CC1 ZINC000661870026 419310164 /nfs/dbraw/zinc/31/01/64/419310164.db2.gz BCAOIFNRIZWRQV-QZTJIDSGSA-N 1 3 294.483 3.142 20 0 CGADHO FC1(F)CC12CCC([NH2+][C@@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000657716420 419332681 /nfs/dbraw/zinc/33/26/81/419332681.db2.gz IOUDKLPTCIMDNF-PIOWNMBXSA-N 1 3 284.394 3.171 20 0 CGADHO Cc1ccccc1C1(CN[C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415097690 292627585 /nfs/dbraw/zinc/62/75/85/292627585.db2.gz DCYUJRWVECBZPA-HOTGVXAUSA-N 1 3 272.436 3.147 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000662243447 419370556 /nfs/dbraw/zinc/37/05/56/419370556.db2.gz BFZZCCKCNHNKLY-YOEHRIQHSA-N 1 3 260.425 3.369 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(C(C)(C)C)c1 ZINC000662266420 419375677 /nfs/dbraw/zinc/37/56/77/419375677.db2.gz YHLAXCLGRXQWPP-ZFWWWQNUSA-N 1 3 260.425 3.153 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000184569119 287547895 /nfs/dbraw/zinc/54/78/95/287547895.db2.gz CXEUUJMKZZQPSG-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)c1cccc(C[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000662275475 419381670 /nfs/dbraw/zinc/38/16/70/419381670.db2.gz AQOVXEFAGNKCFT-MRXNPFEDSA-N 1 3 260.425 3.288 20 0 CGADHO CCOC1CCC([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000657839696 419382189 /nfs/dbraw/zinc/38/21/89/419382189.db2.gz ZGWXXILOYUIEDH-MRLCAUJQSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657930870 419448602 /nfs/dbraw/zinc/44/86/02/419448602.db2.gz ODYSCNVOGQAMLJ-CQSZACIVSA-N 1 3 288.426 3.032 20 0 CGADHO C[NH+](C)C1(CNc2nccc3[nH]ccc32)CCCCC1 ZINC000663322593 419555549 /nfs/dbraw/zinc/55/55/49/419555549.db2.gz XRQCMOPWCWJQQZ-UHFFFAOYSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663347881 419565540 /nfs/dbraw/zinc/56/55/40/419565540.db2.gz ZECBHVLKFSQIHO-DJIMGWMZSA-N 1 3 264.457 3.277 20 0 CGADHO C1=CC[C@H](C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663346612 419567274 /nfs/dbraw/zinc/56/72/74/419567274.db2.gz AUNYIEJYGDRDTO-DOTOQJQBSA-N 1 3 262.441 3.054 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164868 419632618 /nfs/dbraw/zinc/63/26/18/419632618.db2.gz AMTZNDDRYPDEJB-HOTGVXAUSA-N 1 3 289.467 3.318 20 0 CGADHO CC[C@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164690 419632660 /nfs/dbraw/zinc/63/26/60/419632660.db2.gz OHDSZOLPXAFQIM-ZWKOTPCHSA-N 1 3 287.451 3.072 20 0 CGADHO CCCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167203 419633418 /nfs/dbraw/zinc/63/34/18/419633418.db2.gz MZXQPCBDZWEDDV-INIZCTEOSA-N 1 3 289.467 3.462 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000663502657 419637587 /nfs/dbraw/zinc/63/75/87/419637587.db2.gz JNHFOZRSNZDXJQ-BRWVUGGUSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000663502657 419637589 /nfs/dbraw/zinc/63/75/89/419637589.db2.gz JNHFOZRSNZDXJQ-BRWVUGGUSA-N 1 3 260.425 3.286 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468521 419621338 /nfs/dbraw/zinc/62/13/38/419621338.db2.gz LRRQZJDNFNKOAK-DJIMGWMZSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C(C)(C)O1 ZINC000663468816 419623012 /nfs/dbraw/zinc/62/30/12/419623012.db2.gz MWOYJXXHMAEHIK-CVEARBPZSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468816 419623024 /nfs/dbraw/zinc/62/30/24/419623024.db2.gz MWOYJXXHMAEHIK-CVEARBPZSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468816 419623036 /nfs/dbraw/zinc/62/30/36/419623036.db2.gz MWOYJXXHMAEHIK-CVEARBPZSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423169345 287619732 /nfs/dbraw/zinc/61/97/32/287619732.db2.gz JGHBUZLGLIWOGM-NRSFXHEJSA-N 1 3 286.463 3.404 20 0 CGADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000085386165 260203603 /nfs/dbraw/zinc/20/36/03/260203603.db2.gz UFTAORSVOZSVSD-HUUCEWRRSA-N 1 3 282.472 3.043 20 0 CGADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000390231579 262161386 /nfs/dbraw/zinc/16/13/86/262161386.db2.gz HIIAAFPXVGXKFA-HZSPNIEDSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(F)c(F)c1 ZINC000020128821 262230683 /nfs/dbraw/zinc/23/06/83/262230683.db2.gz WQEORVMXHOJNJN-ZDUSSCGKSA-N 1 3 282.378 3.491 20 0 CGADHO CN(CCCc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000525783630 262232043 /nfs/dbraw/zinc/23/20/43/262232043.db2.gz BZKGKXLLYLKCBC-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO CN(CCCc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000525783630 262232044 /nfs/dbraw/zinc/23/20/44/262232044.db2.gz BZKGKXLLYLKCBC-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535381 270036251 /nfs/dbraw/zinc/03/62/51/270036251.db2.gz CEODWPWPNURTDA-CHWSQXEVSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535381 270036253 /nfs/dbraw/zinc/03/62/53/270036253.db2.gz CEODWPWPNURTDA-CHWSQXEVSA-N 1 3 266.816 3.332 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000084200235 270043380 /nfs/dbraw/zinc/04/33/80/270043380.db2.gz YMTDHRSYHCHEDZ-JJRVBVJISA-N 1 3 260.425 3.067 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000084200235 270043382 /nfs/dbraw/zinc/04/33/82/270043382.db2.gz YMTDHRSYHCHEDZ-JJRVBVJISA-N 1 3 260.425 3.067 20 0 CGADHO CC[C@@H]1CCCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744942 270077686 /nfs/dbraw/zinc/07/76/86/270077686.db2.gz WNSWGXNGTCKODV-GOSISDBHSA-N 1 3 295.515 3.057 20 0 CGADHO CC[C@@H]1CCCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744942 270077687 /nfs/dbraw/zinc/07/76/87/270077687.db2.gz WNSWGXNGTCKODV-GOSISDBHSA-N 1 3 295.515 3.057 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)CN1CCCC1 ZINC000227873017 270087688 /nfs/dbraw/zinc/08/76/88/270087688.db2.gz NMMBVJLAWDSFAU-OIISXLGYSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652629 270131065 /nfs/dbraw/zinc/13/10/65/270131065.db2.gz GJPHTRDGVRIOKY-FSDCSDTHSA-N 1 3 264.457 3.131 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529552895 270184236 /nfs/dbraw/zinc/18/42/36/270184236.db2.gz CAPTVOWYKYKEKP-INIZCTEOSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529552895 270184237 /nfs/dbraw/zinc/18/42/37/270184237.db2.gz CAPTVOWYKYKEKP-INIZCTEOSA-N 1 3 271.408 3.084 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530220543 270196534 /nfs/dbraw/zinc/19/65/34/270196534.db2.gz OKFNXZAVYWKJMK-ZNMIVQPWSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530220543 270196535 /nfs/dbraw/zinc/19/65/35/270196535.db2.gz OKFNXZAVYWKJMK-ZNMIVQPWSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530219323 270196128 /nfs/dbraw/zinc/19/61/28/270196128.db2.gz LJKWGZGXANDNSC-APIJFGDWSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219323 270196129 /nfs/dbraw/zinc/19/61/29/270196129.db2.gz LJKWGZGXANDNSC-APIJFGDWSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1cccc([C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C(C)C)c1 ZINC000530226844 270196888 /nfs/dbraw/zinc/19/68/88/270196888.db2.gz UDNWTWANGAYZTF-HYVNUMGLSA-N 1 3 260.425 3.280 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000531935185 270211131 /nfs/dbraw/zinc/21/11/31/270211131.db2.gz RDTDYZYPTQEYDY-GOSISDBHSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000248987932 287794938 /nfs/dbraw/zinc/79/49/38/287794938.db2.gz KKLXOHSGNWGBRF-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649041 275069393 /nfs/dbraw/zinc/06/93/93/275069393.db2.gz UJNXZQAVWSXVMR-KDOFPFPSSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649041 275069394 /nfs/dbraw/zinc/06/93/94/275069394.db2.gz UJNXZQAVWSXVMR-KDOFPFPSSA-N 1 3 270.420 3.138 20 0 CGADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391101 276027321 /nfs/dbraw/zinc/02/73/21/276027321.db2.gz PGZFZJDXPWPLHY-SJORKVTESA-N 1 3 258.409 3.204 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000367602926 276076289 /nfs/dbraw/zinc/07/62/89/276076289.db2.gz WUCCAYZSLHOMQY-KRWDZBQOSA-N 1 3 298.434 3.029 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000367602926 276076292 /nfs/dbraw/zinc/07/62/92/276076292.db2.gz WUCCAYZSLHOMQY-KRWDZBQOSA-N 1 3 298.434 3.029 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000443652347 276180093 /nfs/dbraw/zinc/18/00/93/276180093.db2.gz GDIZRZREWPSDHY-RCCFBDPRSA-N 1 3 276.468 3.397 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000443652347 276180096 /nfs/dbraw/zinc/18/00/96/276180096.db2.gz GDIZRZREWPSDHY-RCCFBDPRSA-N 1 3 276.468 3.397 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1C ZINC000414119807 276583452 /nfs/dbraw/zinc/58/34/52/276583452.db2.gz WXRXQMNQEOWTJP-XYPHTWIQSA-N 1 3 264.457 3.418 20 0 CGADHO C([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CCCNC1 ZINC000313087313 276814103 /nfs/dbraw/zinc/81/41/03/276814103.db2.gz WICUAUVKOZCXAR-HUUCEWRRSA-N 1 3 250.430 3.079 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1(C2CC2)CC1 ZINC000261564042 276814781 /nfs/dbraw/zinc/81/47/81/276814781.db2.gz CGVXAVRUIFSDDI-ARFHVFGLSA-N 1 3 262.441 3.077 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000274294245 277023621 /nfs/dbraw/zinc/02/36/21/277023621.db2.gz RRHRXRPFLZJZDO-ROUUACIJSA-N 1 3 284.447 3.420 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176155 277053267 /nfs/dbraw/zinc/05/32/67/277053267.db2.gz IBHHUSXQWLPGMA-LRDDRELGSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176155 277053270 /nfs/dbraw/zinc/05/32/70/277053270.db2.gz IBHHUSXQWLPGMA-LRDDRELGSA-N 1 3 294.389 3.274 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000191638550 277326016 /nfs/dbraw/zinc/32/60/16/277326016.db2.gz KSXXBAXRXBMZIU-DLTWYDFYSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000191638550 277326017 /nfs/dbraw/zinc/32/60/17/277326017.db2.gz KSXXBAXRXBMZIU-DLTWYDFYSA-N 1 3 282.472 3.043 20 0 CGADHO COc1ccc([C@H](C)NCCCC[NH+](C)C)c(Cl)c1 ZINC000424262134 277931346 /nfs/dbraw/zinc/93/13/46/277931346.db2.gz DFHMLORQDVOSJG-LBPRGKRZSA-N 1 3 284.831 3.341 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393015 278027988 /nfs/dbraw/zinc/02/79/88/278027988.db2.gz IAUWAJQRCDQRFA-CKEIUWERSA-N 1 3 272.436 3.481 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393015 278027989 /nfs/dbraw/zinc/02/79/89/278027989.db2.gz IAUWAJQRCDQRFA-CKEIUWERSA-N 1 3 272.436 3.481 20 0 CGADHO C[C@@]1(C[NH2+][C@@H]2CCCC[C@@H]2CN)C[C@H]1c1ccccc1 ZINC000423140456 278123798 /nfs/dbraw/zinc/12/37/98/278123798.db2.gz YLHUXQZYNAZNMV-XDNAFOTISA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](CCCC(F)(F)F)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414939725 278168489 /nfs/dbraw/zinc/16/84/89/278168489.db2.gz ZXPOVLFCTKJRSL-VXGBXAGGSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000397269643 288022559 /nfs/dbraw/zinc/02/25/59/288022559.db2.gz MECQVUCZYVNNNB-KEYYUXOJSA-N 1 3 283.419 3.040 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)s1 ZINC000397281354 288022597 /nfs/dbraw/zinc/02/25/97/288022597.db2.gz APMPDIZUMOMZMD-HFAKWTLXSA-N 1 3 266.454 3.170 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C\c2ccccc2)C[C@H]1C[NH3+] ZINC000397399766 288023514 /nfs/dbraw/zinc/02/35/14/288023514.db2.gz QPIUGDQNVBMDPD-GZKHJMOKSA-N 1 3 258.409 3.005 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000397396390 288023554 /nfs/dbraw/zinc/02/35/54/288023554.db2.gz PHNHAJVJMRXLNL-HZSPNIEDSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1CC1(C)C ZINC000397756528 288029518 /nfs/dbraw/zinc/02/95/18/288029518.db2.gz QOBRTJSBDFHYDY-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000358452281 278308720 /nfs/dbraw/zinc/30/87/20/278308720.db2.gz PEWSNIMVIXFELH-OLZOCXBDSA-N 1 3 298.377 3.233 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000358452281 278308721 /nfs/dbraw/zinc/30/87/21/278308721.db2.gz PEWSNIMVIXFELH-OLZOCXBDSA-N 1 3 298.377 3.233 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423164805 278309406 /nfs/dbraw/zinc/30/94/06/278309406.db2.gz AIHDUAQVKJDAOF-RRCSTGOVSA-N 1 3 260.425 3.142 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000331835643 278400301 /nfs/dbraw/zinc/40/03/01/278400301.db2.gz RUNPFULTTLTKEG-OUCADQQQSA-N 1 3 262.397 3.153 20 0 CGADHO CC1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000174316348 278524547 /nfs/dbraw/zinc/52/45/47/278524547.db2.gz OLQWLMLYERMKLO-YZUHTNEWSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](N[C@@H]1CCO[C@H](CC(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423039625 288071866 /nfs/dbraw/zinc/07/18/66/288071866.db2.gz FTIJWAGOIOUAKQ-NCOADZHNSA-N 1 3 282.472 3.090 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000515483444 279082708 /nfs/dbraw/zinc/08/27/08/279082708.db2.gz UVXQJCQBQLDJIO-LBPRGKRZSA-N 1 3 273.424 3.222 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C[C@H]1c1ccccc1 ZINC000414812602 279126264 /nfs/dbraw/zinc/12/62/64/279126264.db2.gz XNPSIBSLFFAVSN-CZIOMAOESA-N 1 3 272.436 3.286 20 0 CGADHO CC(C)C[C@H](CN)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423258054 279142335 /nfs/dbraw/zinc/14/23/35/279142335.db2.gz AVCLTTBVZVJHBC-TZMCWYRMSA-N 1 3 282.428 3.326 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415134926 280238809 /nfs/dbraw/zinc/23/88/09/280238809.db2.gz WLAAAYPDXZIMCF-SZMVWBNQSA-N 1 3 274.452 3.343 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415134926 280238814 /nfs/dbraw/zinc/23/88/14/280238814.db2.gz WLAAAYPDXZIMCF-SZMVWBNQSA-N 1 3 274.452 3.343 20 0 CGADHO CC(C)[C@H]([NH2+]CC1(N)CCCCC1)c1cccnc1 ZINC000423175133 280324497 /nfs/dbraw/zinc/32/44/97/280324497.db2.gz DDRTTWSNKYSPBS-HNNXBMFYSA-N 1 3 261.413 3.030 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)CCC2 ZINC000423395908 281124111 /nfs/dbraw/zinc/12/41/11/281124111.db2.gz TUDIJSUMQCWTIQ-FRFSOERESA-N 1 3 258.409 3.103 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423531070 281272994 /nfs/dbraw/zinc/27/29/94/281272994.db2.gz QCLPXKMUPQCGJG-SJORKVTESA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649283 281356190 /nfs/dbraw/zinc/35/61/90/281356190.db2.gz GGQIDZCHARMEJX-HUUCEWRRSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649283 281356192 /nfs/dbraw/zinc/35/61/92/281356192.db2.gz GGQIDZCHARMEJX-HUUCEWRRSA-N 1 3 258.409 3.130 20 0 CGADHO C[NH+](C)CCC1CCN(CCc2cccc(F)c2F)CC1 ZINC000542210020 288739594 /nfs/dbraw/zinc/73/95/94/288739594.db2.gz WWEJTSTXAUCNIP-UHFFFAOYSA-N 1 3 296.405 3.171 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000551264023 289105941 /nfs/dbraw/zinc/10/59/41/289105941.db2.gz ICTUEXHCLBTTGE-IJEWVQPXSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000551264023 289105942 /nfs/dbraw/zinc/10/59/42/289105942.db2.gz ICTUEXHCLBTTGE-IJEWVQPXSA-N 1 3 270.436 3.367 20 0 CGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000552235472 289173668 /nfs/dbraw/zinc/17/36/68/289173668.db2.gz IPNSSTNUWWSWHV-UHOSZYNNSA-N 1 3 284.447 3.429 20 0 CGADHO CN(CCC[NH2+][C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048910 289253092 /nfs/dbraw/zinc/25/30/92/289253092.db2.gz DYWAZFWSXYFKLF-DLBZAZTESA-N 1 3 264.457 3.419 20 0 CGADHO C[N@H+](CCCN[C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048910 289253093 /nfs/dbraw/zinc/25/30/93/289253093.db2.gz DYWAZFWSXYFKLF-DLBZAZTESA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048910 289253094 /nfs/dbraw/zinc/25/30/94/289253094.db2.gz DYWAZFWSXYFKLF-DLBZAZTESA-N 1 3 264.457 3.419 20 0 CGADHO CC1=CC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000556263510 289383260 /nfs/dbraw/zinc/38/32/60/289383260.db2.gz BLHSAHNVOGXPKW-HOTGVXAUSA-N 1 3 250.430 3.339 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169635 290246876 /nfs/dbraw/zinc/24/68/76/290246876.db2.gz RQPDGZXEVMJUKI-CHWSQXEVSA-N 1 3 266.816 3.462 20 0 CGADHO [NH3+]CCCN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000414761192 295229876 /nfs/dbraw/zinc/22/98/76/295229876.db2.gz SKQNRASWIQKEKH-IBGZPJMESA-N 1 3 280.415 3.177 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000423276248 295237720 /nfs/dbraw/zinc/23/77/20/295237720.db2.gz MVXNEHQSIKTIKN-GRDNDAEWSA-N 1 3 276.424 3.172 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)NCC2([NH3+])CCCCC2)cc1 ZINC000423178489 295239130 /nfs/dbraw/zinc/23/91/30/295239130.db2.gz KPUSDOREFXCNPJ-HUUCEWRRSA-N 1 3 290.451 3.438 20 0 CGADHO COc1ccc([C@H]([NH2+][C@H]2CCN[C@H](C)C2)C(C)C)cc1 ZINC000423385576 295246435 /nfs/dbraw/zinc/24/64/35/295246435.db2.gz RCSAOUNSMNFFJJ-UKPHBRMFSA-N 1 3 276.424 3.122 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccccc2)CCCCC1 ZINC000517730881 295307244 /nfs/dbraw/zinc/30/72/44/295307244.db2.gz FSKHKKIAZWLBGI-SJORKVTESA-N 1 3 272.436 3.358 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423421479 298393024 /nfs/dbraw/zinc/39/30/24/298393024.db2.gz CEORQCMULGFMES-HIFRSBDPSA-N 1 3 278.444 3.138 20 0 CGADHO Fc1ccc2c(c1)OCCCC2[NH2+]C1CC2OCCCC12 ZINC000253232118 303132601 /nfs/dbraw/zinc/13/26/01/303132601.db2.gz AYOLWKFZVXHGTC-MKVSYHDVSA-N 1 3 291.366 3.197 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000582795932 329207875 /nfs/dbraw/zinc/20/78/75/329207875.db2.gz FDUVCLRQLLIMPB-KKUMJFAQSA-N 1 3 278.465 3.335 20 0 CGADHO CC[NH+]1CCC(CCNCc2ccc(OC)cc2F)CC1 ZINC000564576031 322034736 /nfs/dbraw/zinc/03/47/36/322034736.db2.gz KSQMPZOPIRVWAV-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO C[C@H](Cc1ccsc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000565282527 322071597 /nfs/dbraw/zinc/07/15/97/322071597.db2.gz AHOVZCFFRNKVDV-UKRRQHHQSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000565282527 322071599 /nfs/dbraw/zinc/07/15/99/322071599.db2.gz AHOVZCFFRNKVDV-UKRRQHHQSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000565282527 322071600 /nfs/dbraw/zinc/07/16/00/322071600.db2.gz AHOVZCFFRNKVDV-UKRRQHHQSA-N 1 3 266.454 3.095 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000565710329 322087632 /nfs/dbraw/zinc/08/76/32/322087632.db2.gz FOGDIVAFSYXDDI-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000565710329 322087634 /nfs/dbraw/zinc/08/76/34/322087634.db2.gz FOGDIVAFSYXDDI-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000565710324 322087822 /nfs/dbraw/zinc/08/78/22/322087822.db2.gz FOGDIVAFSYXDDI-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000565710324 322087824 /nfs/dbraw/zinc/08/78/24/322087824.db2.gz FOGDIVAFSYXDDI-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)(C)c1ccc(OCCCNCC2([NH3+])CCC2)cc1 ZINC000566244336 322111104 /nfs/dbraw/zinc/11/11/04/322111104.db2.gz WZCWDHYYNAYGBT-UHFFFAOYSA-N 1 3 290.451 3.224 20 0 CGADHO CC[NH2+]CCCN[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000567638852 322171611 /nfs/dbraw/zinc/17/16/11/322171611.db2.gz MHFSNUPPRXVTOW-HOTGVXAUSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@H](F)C1 ZINC000567894549 322182060 /nfs/dbraw/zinc/18/20/60/322182060.db2.gz BUHHHUKCJUPHLJ-QPSCCSFWSA-N 1 3 256.409 3.168 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(Cl)c1 ZINC000568248090 322200538 /nfs/dbraw/zinc/20/05/38/322200538.db2.gz HKLGOJTYQZSIRV-QLFBSQMISA-N 1 3 296.842 3.357 20 0 CGADHO c1cncc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000569010392 322231643 /nfs/dbraw/zinc/23/16/43/322231643.db2.gz JZCRORAKWGMAHF-LJQANCHMSA-N 1 3 293.414 3.064 20 0 CGADHO CCCCOc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000569038904 322232708 /nfs/dbraw/zinc/23/27/08/322232708.db2.gz LUDAIGWVJFMRKW-UHFFFAOYSA-N 1 3 278.440 3.249 20 0 CGADHO CCCCOc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000569038904 322232709 /nfs/dbraw/zinc/23/27/09/322232709.db2.gz LUDAIGWVJFMRKW-UHFFFAOYSA-N 1 3 278.440 3.249 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000569378433 322245800 /nfs/dbraw/zinc/24/58/00/322245800.db2.gz RCZIVGPZXACLPR-CVEARBPZSA-N 1 3 276.424 3.014 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC000569473147 322248439 /nfs/dbraw/zinc/24/84/39/322248439.db2.gz VOJZDVBJGBJDKP-CABCVRRESA-N 1 3 266.816 3.132 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1cccc(Cl)c1Cl ZINC000569713660 322254999 /nfs/dbraw/zinc/25/49/99/322254999.db2.gz YWGJQXIZCQRWPI-NXEZZACHSA-N 1 3 291.222 3.088 20 0 CGADHO C[C@@H]([NH2+]C1(CF)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000569811693 322257707 /nfs/dbraw/zinc/25/77/07/322257707.db2.gz UHOCCJLBSIMWBY-NVXWUHKLSA-N 1 3 290.426 3.379 20 0 CGADHO CC(C)CCC[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000570605073 322277639 /nfs/dbraw/zinc/27/76/39/322277639.db2.gz PCPDLSRRXCASRD-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCC[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000570605073 322277640 /nfs/dbraw/zinc/27/76/40/322277640.db2.gz PCPDLSRRXCASRD-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](N(C)CC(O)C[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910224 322285363 /nfs/dbraw/zinc/28/53/63/322285363.db2.gz DKTIWRCRCJSCLM-KBPBESRZSA-N 1 3 286.504 3.080 20 0 CGADHO C[C@H](N(C)CC(O)C[N@@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910224 322285364 /nfs/dbraw/zinc/28/53/64/322285364.db2.gz DKTIWRCRCJSCLM-KBPBESRZSA-N 1 3 286.504 3.080 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000572847614 322358066 /nfs/dbraw/zinc/35/80/66/322358066.db2.gz JFKLVCFOQPFREZ-RHSMWYFYSA-N 1 3 258.409 3.001 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCc2cc(N)ccc21 ZINC000572857170 322358446 /nfs/dbraw/zinc/35/84/46/322358446.db2.gz OWDFAZHVLYTVSQ-MZMPZRCHSA-N 1 3 287.451 3.157 20 0 CGADHO CC(C)[N@H+](Cc1ccc2c(c1)CNCC2)C1CCCC1 ZINC000577498822 335359917 /nfs/dbraw/zinc/35/99/17/335359917.db2.gz GBKKYXJPILZAMS-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO CC(C)[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCCC1 ZINC000577498822 335359918 /nfs/dbraw/zinc/35/99/18/335359918.db2.gz GBKKYXJPILZAMS-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)C1=CCCCC1 ZINC000577626556 335381779 /nfs/dbraw/zinc/38/17/79/335381779.db2.gz JTBCROBWHQDFAC-CABCVRRESA-N 1 3 250.430 3.373 20 0 CGADHO COc1cccc2c1CCC[C@H]2NC[C@H]1CCC[N@H+](C)C1 ZINC000194887858 336040212 /nfs/dbraw/zinc/04/02/12/336040212.db2.gz LSAXQBBSVRMZHP-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO COc1cccc2c1CCC[C@H]2NC[C@H]1CCC[N@@H+](C)C1 ZINC000194887858 336040213 /nfs/dbraw/zinc/04/02/13/336040213.db2.gz LSAXQBBSVRMZHP-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000195653537 336057513 /nfs/dbraw/zinc/05/75/13/336057513.db2.gz PJTIWHGSFAEBOU-RGYNNNPXSA-N 1 3 276.468 3.133 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)Cc1coc2ccccc12 ZINC000581800363 336146372 /nfs/dbraw/zinc/14/63/72/336146372.db2.gz FAECKUBKIPKSFX-AWEZNQCLSA-N 1 3 274.408 3.342 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](c1ccccc1F)C1CCCC1 ZINC000423294084 533773389 /nfs/dbraw/zinc/77/33/89/533773389.db2.gz BGFSEGPODBNRSL-LRDDRELGSA-N 1 3 264.388 3.241 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423309747 533771507 /nfs/dbraw/zinc/77/15/07/533771507.db2.gz QOHFYBJAGWDXKY-XWLWVQCSSA-N 1 3 272.845 3.078 20 0 CGADHO C[C@H](CCCO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449184919 533885821 /nfs/dbraw/zinc/88/58/21/533885821.db2.gz GMIKBKPPNNUWLN-OAHLLOKOSA-N 1 3 298.515 3.416 20 0 CGADHO C[C@H](CCCO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449184919 533885825 /nfs/dbraw/zinc/88/58/25/533885825.db2.gz GMIKBKPPNNUWLN-OAHLLOKOSA-N 1 3 298.515 3.416 20 0 CGADHO C[C@H](CC[NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000414901361 533940587 /nfs/dbraw/zinc/94/05/87/533940587.db2.gz FWFIAKNBZCPINL-NVXWUHKLSA-N 1 3 260.425 3.160 20 0 CGADHO CC(C)Cc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000088296531 519438012 /nfs/dbraw/zinc/43/80/12/519438012.db2.gz SEJGYMQVKVSTRJ-UHFFFAOYSA-N 1 3 260.425 3.069 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000037643756 521710349 /nfs/dbraw/zinc/71/03/49/521710349.db2.gz VLNJRQTTZKWMPL-LBPRGKRZSA-N 1 3 286.341 3.137 20 0 CGADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000129710689 521715127 /nfs/dbraw/zinc/71/51/27/521715127.db2.gz FTPWXMSGEOTARI-BFYDXBDKSA-N 1 3 292.492 3.487 20 0 CGADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000129710689 521715128 /nfs/dbraw/zinc/71/51/28/521715128.db2.gz FTPWXMSGEOTARI-BFYDXBDKSA-N 1 3 292.492 3.487 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2CC2)CC1 ZINC000149524965 524163409 /nfs/dbraw/zinc/16/34/09/524163409.db2.gz HMKXMIPLOQHKIQ-CZUORRHYSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2CC2)CC1 ZINC000149524965 524163416 /nfs/dbraw/zinc/16/34/16/524163416.db2.gz HMKXMIPLOQHKIQ-CZUORRHYSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC000088164139 524430724 /nfs/dbraw/zinc/43/07/24/524430724.db2.gz USKPAPNLOAZLRL-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC000088164139 524430732 /nfs/dbraw/zinc/43/07/32/524430732.db2.gz USKPAPNLOAZLRL-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000156088282 524826810 /nfs/dbraw/zinc/82/68/10/524826810.db2.gz KKMLFAKMYMGSTK-NSHDSACASA-N 1 3 268.351 3.183 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000157540281 527167621 /nfs/dbraw/zinc/16/76/21/527167621.db2.gz KHROFBXHMXGAOH-UHFFFAOYSA-N 1 3 289.810 3.059 20 0 CGADHO CC(C)(N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423288039 527258200 /nfs/dbraw/zinc/25/82/00/527258200.db2.gz QATFAIAHNTZRPH-CYBMUJFWSA-N 1 3 297.240 3.227 20 0 CGADHO C/C=C/COc1ccc(CC[C@H](C)NC[C@H]([NH3+])CC)cc1 ZINC000423457867 527615105 /nfs/dbraw/zinc/61/51/05/527615105.db2.gz GGHBSNUJZLECOK-BWTRYIQHSA-N 1 3 290.451 3.290 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423304827 527783289 /nfs/dbraw/zinc/78/32/89/527783289.db2.gz ZQUTVWPJIWRRIB-GJZGRUSLSA-N 1 3 278.440 3.357 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000423264558 527848747 /nfs/dbraw/zinc/84/87/47/527848747.db2.gz ABDVEYXZTRRJQJ-OAGGEKHMSA-N 1 3 252.446 3.308 20 0 CGADHO CC1(CN[C@@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000423344350 527986127 /nfs/dbraw/zinc/98/61/27/527986127.db2.gz XWDCSXZPXNXLKQ-SFHVURJKSA-N 1 3 295.430 3.150 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000480671484 528171420 /nfs/dbraw/zinc/17/14/20/528171420.db2.gz NAVSJFNHYYLTRQ-WMLDXEAASA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000480671484 528171422 /nfs/dbraw/zinc/17/14/22/528171422.db2.gz NAVSJFNHYYLTRQ-WMLDXEAASA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCN)cc1 ZINC000437793307 528205174 /nfs/dbraw/zinc/20/51/74/528205174.db2.gz CBCRTKFZPBUPBN-IRXDYDNUSA-N 1 3 276.424 3.048 20 0 CGADHO CCC[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccnc1 ZINC000423375733 528229668 /nfs/dbraw/zinc/22/96/68/528229668.db2.gz IULGWXBMCFVFGS-SFHVURJKSA-N 1 3 281.403 3.316 20 0 CGADHO CCCC[NH+]1CCC(N[C@H](C)Cc2ccoc2)CC1 ZINC000449102532 528461919 /nfs/dbraw/zinc/46/19/19/528461919.db2.gz YYCPZNVUFVXJRR-CQSZACIVSA-N 1 3 264.413 3.065 20 0 CGADHO CCOc1ccc([C@@H](CC)[NH2+]C[C@H](N)CC)cc1OCC ZINC000423483602 528598486 /nfs/dbraw/zinc/59/84/86/528598486.db2.gz YAJVYWGVEQKCLY-HUUCEWRRSA-N 1 3 294.439 3.262 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423263595 528725141 /nfs/dbraw/zinc/72/51/41/528725141.db2.gz BDMHMVWKZXVEAY-BBRMVZONSA-N 1 3 264.413 3.109 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423328693 528725393 /nfs/dbraw/zinc/72/53/93/528725393.db2.gz ODSUOIOUJURADE-ZDUSSCGKSA-N 1 3 262.397 3.007 20 0 CGADHO CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367620915 528733221 /nfs/dbraw/zinc/73/32/21/528733221.db2.gz ZBKMPYCNSBMCRG-BRWVUGGUSA-N 1 3 288.435 3.048 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423406807 529029346 /nfs/dbraw/zinc/02/93/46/529029346.db2.gz VBVQXCUSAXCPRA-UAGQMJEPSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423406807 529029351 /nfs/dbraw/zinc/02/93/51/529029351.db2.gz VBVQXCUSAXCPRA-UAGQMJEPSA-N 1 3 292.492 3.391 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CCC1 ZINC000449132528 529175965 /nfs/dbraw/zinc/17/59/65/529175965.db2.gz UWBQNCPROPBPSC-GOEBONIOSA-N 1 3 252.446 3.275 20 0 CGADHO CCSc1ccccc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423299417 529257416 /nfs/dbraw/zinc/25/74/16/529257416.db2.gz QDRCUKHSHOAWKV-VXGBXAGGSA-N 1 3 252.427 3.044 20 0 CGADHO CC[NH+]1CCC(N(C)CCc2cccc(Cl)c2)CC1 ZINC000459315736 535456782 /nfs/dbraw/zinc/45/67/82/535456782.db2.gz SBOZOXURKIGWCE-UHFFFAOYSA-N 1 3 280.843 3.299 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1cscn1 ZINC000450759292 535593792 /nfs/dbraw/zinc/59/37/92/535593792.db2.gz OYMKDJCMVKUHFJ-GDBMZVCRSA-N 1 3 295.496 3.176 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000261557308 572344689 /nfs/dbraw/zinc/34/46/89/572344689.db2.gz CNBMHKQSWWDWML-OXGONZEZSA-N 1 3 252.446 3.035 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106396 618534984 /nfs/dbraw/zinc/53/49/84/618534984.db2.gz UWPDSXRGXCIPOQ-MAUKXSAKSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106396 618534996 /nfs/dbraw/zinc/53/49/96/618534996.db2.gz UWPDSXRGXCIPOQ-MAUKXSAKSA-N 1 3 290.451 3.166 20 0 CGADHO CN(Cc1coc(-c2cccs2)n1)C1CCC([NH3+])CC1 ZINC000091847094 618737608 /nfs/dbraw/zinc/73/76/08/618737608.db2.gz YSFQDQIJYHDBOM-UHFFFAOYSA-N 1 3 291.420 3.105 20 0 CGADHO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559967 618833005 /nfs/dbraw/zinc/83/30/05/618833005.db2.gz NRKGLXMKIPUWMD-YOEHRIQHSA-N 1 3 290.451 3.049 20 0 CGADHO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559967 618833007 /nfs/dbraw/zinc/83/30/07/618833007.db2.gz NRKGLXMKIPUWMD-YOEHRIQHSA-N 1 3 290.451 3.049 20 0 CGADHO CCOc1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000892883950 618949088 /nfs/dbraw/zinc/94/90/88/618949088.db2.gz XXFVVQDESKAFCH-UHFFFAOYSA-N 1 3 294.439 3.424 20 0 CGADHO CCCSC[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000892944561 618959589 /nfs/dbraw/zinc/95/95/89/618959589.db2.gz RZQFYUHBPVMQHR-HUUCEWRRSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661903 619116580 /nfs/dbraw/zinc/11/65/80/619116580.db2.gz FEXOJRCKHHBPCQ-KCQAQPDRSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@]1(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1(F)F ZINC000925707375 619155036 /nfs/dbraw/zinc/15/50/36/619155036.db2.gz IBUOCGHIGDXHCQ-KKUMJFAQSA-N 1 3 286.410 3.180 20 0 CGADHO CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925736184 619210339 /nfs/dbraw/zinc/21/03/39/619210339.db2.gz ZQWQWAJZIZCRCE-UONOGXRCSA-N 1 3 288.426 3.426 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776979 619239621 /nfs/dbraw/zinc/23/96/21/619239621.db2.gz BMGBDTHRYPYMFL-BLLLJJGKSA-N 1 3 294.389 3.071 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925780064 619242631 /nfs/dbraw/zinc/24/26/31/619242631.db2.gz RKKOYYSWAPFAGP-JSGCOSHPSA-N 1 3 286.341 3.111 20 0 CGADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCC(C)(F)F ZINC000931765413 619251293 /nfs/dbraw/zinc/25/12/93/619251293.db2.gz XCTAGMXEAVSMGK-ZDUSSCGKSA-N 1 3 283.366 3.028 20 0 CGADHO CC1(C)[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@@H]2CCCN[C@@H]21 ZINC000925803249 619255299 /nfs/dbraw/zinc/25/52/99/619255299.db2.gz WJWBCNDVUGOKFQ-GGHSCCHESA-N 1 3 294.508 3.027 20 0 CGADHO C[C@@H]1C[C@@H](NCCCCCC2CC[NH2+]CC2)c2nccn21 ZINC000925805950 619256774 /nfs/dbraw/zinc/25/67/74/619256774.db2.gz ADWMAZOYYZKXKU-GDBMZVCRSA-N 1 3 290.455 3.039 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CCS1 ZINC000925861385 619298670 /nfs/dbraw/zinc/29/86/70/619298670.db2.gz OZYCXJWAYKNFRN-HKCMKHECSA-N 1 3 262.422 3.005 20 0 CGADHO C[NH+]1CCC2(CCCN2Cc2nccc3c2CCCC3)CC1 ZINC000893859070 619323172 /nfs/dbraw/zinc/32/31/72/619323172.db2.gz VOGSMGMJLFHSNJ-UHFFFAOYSA-N 1 3 299.462 3.021 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000898310612 620510745 /nfs/dbraw/zinc/51/07/45/620510745.db2.gz YFQAWMJFFSUCBI-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000898310612 620510747 /nfs/dbraw/zinc/51/07/47/620510747.db2.gz YFQAWMJFFSUCBI-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC1(N)CC1 ZINC000902412828 621303573 /nfs/dbraw/zinc/30/35/73/621303573.db2.gz GFMZOPHGZKMHKI-HNNXBMFYSA-N 1 3 274.408 3.105 20 0 CGADHO C/C=C\CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902398470 621305459 /nfs/dbraw/zinc/30/54/59/621305459.db2.gz PWTZXPCMCCPGCY-GWQWAINWSA-N 1 3 268.351 3.301 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCS1 ZINC000902451080 621330096 /nfs/dbraw/zinc/33/00/96/621330096.db2.gz FKBGRBJRKTVRJK-OAGGEKHMSA-N 1 3 296.524 3.419 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCCC3(CC3)C2)[C@@H]2CCCN[C@@H]21 ZINC000902453755 621331594 /nfs/dbraw/zinc/33/15/94/621331594.db2.gz QHKIAPQBJDMBDM-LJISPDSOSA-N 1 3 262.441 3.075 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902453876 621331730 /nfs/dbraw/zinc/33/17/30/621331730.db2.gz FLBOGXUEWZMTFD-MQYQWHSLSA-N 1 3 286.410 3.178 20 0 CGADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)sc1Cl ZINC000902486599 621354522 /nfs/dbraw/zinc/35/45/22/621354522.db2.gz ANZQUIOTMZPFSS-FXQIFTODSA-N 1 3 279.236 3.443 20 0 CGADHO FC1(F)CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903123554 621589637 /nfs/dbraw/zinc/58/96/37/621589637.db2.gz BPXUPOCRUJFOPI-IKKMQULASA-N 1 3 284.394 3.312 20 0 CGADHO FC1(F)CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123554 621589642 /nfs/dbraw/zinc/58/96/42/621589642.db2.gz BPXUPOCRUJFOPI-IKKMQULASA-N 1 3 284.394 3.312 20 0 CGADHO Cc1cccc(CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903164964 621609489 /nfs/dbraw/zinc/60/94/89/621609489.db2.gz KRAHDASKNYLPGJ-JLYLLQBASA-N 1 3 299.462 3.070 20 0 CGADHO Cc1cccc(CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903164964 621609493 /nfs/dbraw/zinc/60/94/93/621609493.db2.gz KRAHDASKNYLPGJ-JLYLLQBASA-N 1 3 299.462 3.070 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903197191 621622045 /nfs/dbraw/zinc/62/20/45/621622045.db2.gz WLZMTINPUGSPMS-MDKVJWTPSA-N 1 3 294.483 3.185 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903197191 621622047 /nfs/dbraw/zinc/62/20/47/621622047.db2.gz WLZMTINPUGSPMS-MDKVJWTPSA-N 1 3 294.483 3.185 20 0 CGADHO CC[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000903383960 621725107 /nfs/dbraw/zinc/72/51/07/621725107.db2.gz OYWDPGXXOPQFJD-CVEARBPZSA-N 1 3 263.429 3.099 20 0 CGADHO Cc1cccc([C@H](NC[C@@H]2C[NH2+]C[C@H]2C)C(C)C)c1 ZINC000903473905 621764252 /nfs/dbraw/zinc/76/42/52/621764252.db2.gz BUHHTSQTSVBUCS-HYVNUMGLSA-N 1 3 260.425 3.137 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](N)CC(F)F ZINC000903883025 621825992 /nfs/dbraw/zinc/82/59/92/621825992.db2.gz DLWCOSGJAYGIDX-OCCSQVGLSA-N 1 3 268.351 3.114 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](N)CC(F)F ZINC000903883025 621825994 /nfs/dbraw/zinc/82/59/94/621825994.db2.gz DLWCOSGJAYGIDX-OCCSQVGLSA-N 1 3 268.351 3.114 20 0 CGADHO [NH3+][C@H](CC(F)F)CN1CCC[C@H]1CC1CCCC1 ZINC000903931646 621834562 /nfs/dbraw/zinc/83/45/62/621834562.db2.gz HGICCDZTLPXEEM-OLZOCXBDSA-N 1 3 260.372 3.014 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306001 621901763 /nfs/dbraw/zinc/90/17/63/621901763.db2.gz XPUUMQHINUQQSU-SDDRHHMPSA-N 1 3 275.421 3.026 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H](N)CC(C)C)cc1C ZINC000904446015 621923390 /nfs/dbraw/zinc/92/33/90/621923390.db2.gz WIQIBCJBKDGEAH-UKRRQHHQSA-N 1 3 264.413 3.028 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@H](C)C1 ZINC000906525343 622243375 /nfs/dbraw/zinc/24/33/75/622243375.db2.gz LWGWKISGZJFDIG-RHSMWYFYSA-N 1 3 299.418 3.162 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@H](C)C1 ZINC000906525342 622243543 /nfs/dbraw/zinc/24/35/43/622243543.db2.gz LWGWKISGZJFDIG-PBHICJAKSA-N 1 3 299.418 3.162 20 0 CGADHO C[N@H+](CCCN[C@H]1CCCSC1)C1CCCCC1 ZINC000061588732 623161661 /nfs/dbraw/zinc/16/16/61/623161661.db2.gz PJDFUDMHPSWWDT-AWEZNQCLSA-N 1 3 270.486 3.126 20 0 CGADHO C[N@@H+](CCCN[C@H]1CCCSC1)C1CCCCC1 ZINC000061588732 623161672 /nfs/dbraw/zinc/16/16/72/623161672.db2.gz PJDFUDMHPSWWDT-AWEZNQCLSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@@H](c1ccccc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198050 623307148 /nfs/dbraw/zinc/30/71/48/623307148.db2.gz FRTOLZLHPUAZAH-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCCc2ccccc2)C1 ZINC000915677810 624019224 /nfs/dbraw/zinc/01/92/24/624019224.db2.gz BMOIAFGHCTVVJY-CALCHBBNSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNCCc2ccccc2)C1 ZINC000915677810 624019226 /nfs/dbraw/zinc/01/92/26/624019226.db2.gz BMOIAFGHCTVVJY-CALCHBBNSA-N 1 3 274.452 3.187 20 0 CGADHO Fc1cccc2c1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923370153 626149077 /nfs/dbraw/zinc/14/90/77/626149077.db2.gz CUCMKYYDEXOHMM-VHRNVKJDSA-N 1 3 288.410 3.105 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630309 628115859 /nfs/dbraw/zinc/11/58/59/628115859.db2.gz YPMNYCUHTPBMAI-UONOGXRCSA-N 1 3 271.408 3.160 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630309 628115862 /nfs/dbraw/zinc/11/58/62/628115862.db2.gz YPMNYCUHTPBMAI-UONOGXRCSA-N 1 3 271.408 3.160 20 0 CGADHO CC(C)c1ccccc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000783315220 628703029 /nfs/dbraw/zinc/70/30/29/628703029.db2.gz AETKUIPPPYNUPA-HOCLYGCPSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000783315220 628703034 /nfs/dbraw/zinc/70/30/34/628703034.db2.gz AETKUIPPPYNUPA-HOCLYGCPSA-N 1 3 260.425 3.382 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334702 629661279 /nfs/dbraw/zinc/66/12/79/629661279.db2.gz DTXFXKRKFRMHJZ-DLBZAZTESA-N 1 3 290.838 3.355 20 0 CGADHO CN1CC[C@@]2(CC[N@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334702 629661284 /nfs/dbraw/zinc/66/12/84/629661284.db2.gz DTXFXKRKFRMHJZ-DLBZAZTESA-N 1 3 290.838 3.355 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCSC(C)(C)C)C[C@H]1C ZINC000801925018 630367827 /nfs/dbraw/zinc/36/78/27/630367827.db2.gz YHWNKUSEENYDGR-KGLIPLIRSA-N 1 3 272.502 3.323 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCSC(C)(C)C)C[C@H]1C ZINC000801925018 630367831 /nfs/dbraw/zinc/36/78/31/630367831.db2.gz YHWNKUSEENYDGR-KGLIPLIRSA-N 1 3 272.502 3.323 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)CCSC(C)(C)C ZINC000801923278 630368220 /nfs/dbraw/zinc/36/82/20/630368220.db2.gz CXTLMDKCPJZSSO-AWEZNQCLSA-N 1 3 272.502 3.324 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCSC(C)(C)C ZINC000801923278 630368222 /nfs/dbraw/zinc/36/82/22/630368222.db2.gz CXTLMDKCPJZSSO-AWEZNQCLSA-N 1 3 272.502 3.324 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000815578749 631798885 /nfs/dbraw/zinc/79/88/85/631798885.db2.gz VMYLHBMIFXIYDM-UONOGXRCSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000815578749 631798889 /nfs/dbraw/zinc/79/88/89/631798889.db2.gz VMYLHBMIFXIYDM-UONOGXRCSA-N 1 3 264.388 3.127 20 0 CGADHO CSCCCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817921704 632234712 /nfs/dbraw/zinc/23/47/12/632234712.db2.gz HNQHTGSDFQVRGC-ZDUSSCGKSA-N 1 3 295.496 3.423 20 0 CGADHO CCCCCC[C@H](O)CNC1CC[NH+](CC(C)C)CC1 ZINC000818979805 632358932 /nfs/dbraw/zinc/35/89/32/632358932.db2.gz AYRDMKQVLKOWDD-KRWDZBQOSA-N 1 3 284.488 3.028 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584161 633203452 /nfs/dbraw/zinc/20/34/52/633203452.db2.gz NAYCBOTYGTZYQY-ZACQAIPSSA-N 1 3 258.409 3.164 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584161 633203457 /nfs/dbraw/zinc/20/34/57/633203457.db2.gz NAYCBOTYGTZYQY-ZACQAIPSSA-N 1 3 258.409 3.164 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cc(-c2ccccc2)no1 ZINC000872155230 634065779 /nfs/dbraw/zinc/06/57/79/634065779.db2.gz OQMOCCQNOQVUDZ-UHFFFAOYSA-N 1 3 287.407 3.293 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873142527 634257113 /nfs/dbraw/zinc/25/71/13/634257113.db2.gz TWLDEGYYQSTHPQ-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[N@H+]1CCCC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873142527 634257122 /nfs/dbraw/zinc/25/71/22/634257122.db2.gz TWLDEGYYQSTHPQ-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873142527 634257129 /nfs/dbraw/zinc/25/71/29/634257129.db2.gz TWLDEGYYQSTHPQ-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211547 634286040 /nfs/dbraw/zinc/28/60/40/634286040.db2.gz BWOITYPCGJCIJF-BXUZGUMPSA-N 1 3 264.438 3.062 20 0 CGADHO Cc1ccccc1CC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212709 634286719 /nfs/dbraw/zinc/28/67/19/634286719.db2.gz QHFFONRXHBELMU-UHFFFAOYSA-N 1 3 286.444 3.035 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000873223677 634290549 /nfs/dbraw/zinc/29/05/49/634290549.db2.gz QXBZPQXDPVWRPG-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000873223677 634290555 /nfs/dbraw/zinc/29/05/55/634290555.db2.gz QXBZPQXDPVWRPG-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000873250332 634301632 /nfs/dbraw/zinc/30/16/32/634301632.db2.gz FMLAXQKFSDVVKH-JTQLQIEISA-N 1 3 285.382 3.181 20 0 CGADHO Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000877525335 635072191 /nfs/dbraw/zinc/07/21/91/635072191.db2.gz ZPIOEPDQDBGUOA-WMZOPIPTSA-N 1 3 274.452 3.246 20 0 CGADHO CC[C@@H]1C[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000877675389 635142614 /nfs/dbraw/zinc/14/26/14/635142614.db2.gz YTYPCSQSHDUIEY-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)CN(Cc1ccncc1F)CC1CC[NH+](C)CC1 ZINC000877767878 635194222 /nfs/dbraw/zinc/19/42/22/635194222.db2.gz XSIYIFVOFTZWTP-UHFFFAOYSA-N 1 3 293.430 3.021 20 0 CGADHO [NH3+]CCCCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000843342426 635649976 /nfs/dbraw/zinc/64/99/76/635649976.db2.gz QNPZGRKTCUDEEU-SFHVURJKSA-N 1 3 283.419 3.280 20 0 CGADHO COc1ccc(Cl)c(CN(C)C2CCC([NH3+])CC2)c1 ZINC000843354656 635652455 /nfs/dbraw/zinc/65/24/55/635652455.db2.gz AMFYKRYPBIEYPM-UHFFFAOYSA-N 1 3 282.815 3.050 20 0 CGADHO CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CCO[C@@H]2C)CC1 ZINC000880254675 635957829 /nfs/dbraw/zinc/95/78/29/635957829.db2.gz KVNNAZCRNGFXKV-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO C[C@]1(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@@]1(F)Cl ZINC000844923265 635984905 /nfs/dbraw/zinc/98/49/05/635984905.db2.gz KOQLXVWQFGVWMG-XGUBFFRZSA-N 1 3 282.790 3.426 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1coc2ccccc12 ZINC000131036872 636545423 /nfs/dbraw/zinc/54/54/23/636545423.db2.gz GUSIMMDLIFNBCY-CQSZACIVSA-N 1 3 258.365 3.136 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439374 636757073 /nfs/dbraw/zinc/75/70/73/636757073.db2.gz PUYZQVCBMWVXSL-RDJZCZTQSA-N 1 3 294.483 3.175 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439374 636757078 /nfs/dbraw/zinc/75/70/78/636757078.db2.gz PUYZQVCBMWVXSL-RDJZCZTQSA-N 1 3 294.483 3.175 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850174790 636973861 /nfs/dbraw/zinc/97/38/61/636973861.db2.gz USLPTCUCCFVLDA-KGLIPLIRSA-N 1 3 289.448 3.259 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(C(C)(C)C)s1 ZINC000215984096 637106624 /nfs/dbraw/zinc/10/66/24/637106624.db2.gz VECVBUPHYOMNSF-NWDGAFQWSA-N 1 3 266.454 3.215 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924688143 638388946 /nfs/dbraw/zinc/38/89/46/638388946.db2.gz QYZYZVJRSXIUEK-KBPBESRZSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924688143 638388947 /nfs/dbraw/zinc/38/89/47/638388947.db2.gz QYZYZVJRSXIUEK-KBPBESRZSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@H]([NH3+])[C@H](NCC(C1CC1)C1CC1)c1ccccc1 ZINC000925513927 638515689 /nfs/dbraw/zinc/51/56/89/638515689.db2.gz ISKYRJRPKAHYSV-SJCJKPOMSA-N 1 3 258.409 3.101 20 0 CGADHO CC(C)(C)SCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925582905 638537434 /nfs/dbraw/zinc/53/74/34/638537434.db2.gz ISLUCAQBMXVPSY-HUUCEWRRSA-N 1 3 284.513 3.276 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C12CCC2 ZINC000925673260 638564573 /nfs/dbraw/zinc/56/45/73/638564573.db2.gz CFKRDFIBJFLNSB-CZPYZCIJSA-N 1 3 290.838 3.446 20 0 CGADHO C[C@@]1(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000925678420 638566841 /nfs/dbraw/zinc/56/68/41/638566841.db2.gz UOHNMGXLVRSZHN-XLMAVXFVSA-N 1 3 272.436 3.428 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777473 638610222 /nfs/dbraw/zinc/61/02/22/638610222.db2.gz PDJZJPLRWUMCHV-WBMJQRKESA-N 1 3 294.389 3.459 20 0 CGADHO C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925804623 638617574 /nfs/dbraw/zinc/61/75/74/638617574.db2.gz KRFUSDVYWYEFQU-PNKHAZJDSA-N 1 3 276.468 3.181 20 0 CGADHO CC[C@H](NCC1CCC(SC)CC1)[C@@H]1CCC[NH2+]1 ZINC000925803349 638618248 /nfs/dbraw/zinc/61/82/48/638618248.db2.gz YCEOWANPUIAUEC-WUCCLRPBSA-N 1 3 270.486 3.028 20 0 CGADHO COc1ccc2ccccc2c1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000925833853 638627175 /nfs/dbraw/zinc/62/71/75/638627175.db2.gz KWDKHLDSLORJDQ-YJBOKZPZSA-N 1 3 298.430 3.108 20 0 CGADHO C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000926737915 638805245 /nfs/dbraw/zinc/80/52/45/638805245.db2.gz HNKWCFFTXLWMOW-IIAWOOMASA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC000926791097 638812521 /nfs/dbraw/zinc/81/25/21/638812521.db2.gz UOXCSWPEJNELIN-MRXNPFEDSA-N 1 3 284.513 3.372 20 0 CGADHO C=C/C=C/CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926844315 638817144 /nfs/dbraw/zinc/81/71/44/638817144.db2.gz JSSLMVKHPOAZDY-AATRIKPKSA-N 1 3 250.430 3.219 20 0 CGADHO C[C@@H]1C[C@H](CN2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000929289598 638915908 /nfs/dbraw/zinc/91/59/08/638915908.db2.gz XUDIATGZEMSCPJ-FVQHAEBGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H](C[NH+]2CCC(N3CCCCC3)CC2)C[C@H](C)O1 ZINC000929289598 638915910 /nfs/dbraw/zinc/91/59/10/638915910.db2.gz XUDIATGZEMSCPJ-FVQHAEBGSA-N 1 3 294.483 3.140 20 0 CGADHO CCCC[N@H+](CC[C@H](C)O)C1CC(C)(C)NC(C)(C)C1 ZINC000931033856 639101213 /nfs/dbraw/zinc/10/12/13/639101213.db2.gz KUQKXLFEZLRIAB-AWEZNQCLSA-N 1 3 284.488 3.169 20 0 CGADHO CCCC[N@@H+](CC[C@H](C)O)C1CC(C)(C)NC(C)(C)C1 ZINC000931033856 639101217 /nfs/dbraw/zinc/10/12/17/639101217.db2.gz KUQKXLFEZLRIAB-AWEZNQCLSA-N 1 3 284.488 3.169 20 0 CGADHO CN(Cc1ncc(-c2ccccc2)o1)C1CCC([NH3+])CC1 ZINC000091847134 640724545 /nfs/dbraw/zinc/72/45/45/640724545.db2.gz HDAJZHNNONUXRX-UHFFFAOYSA-N 1 3 285.391 3.043 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](C)C[C@H](O)c2cccs2)CC1 ZINC000305782798 640904247 /nfs/dbraw/zinc/90/42/47/640904247.db2.gz VRCMHIYPLXBDFJ-ZFWWWQNUSA-N 1 3 296.480 3.024 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC001253095760 806166642 /nfs/dbraw/zinc/16/66/42/806166642.db2.gz MGPZTBYRYBFVCW-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC001253095760 806166650 /nfs/dbraw/zinc/16/66/50/806166650.db2.gz MGPZTBYRYBFVCW-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC001253206943 806182706 /nfs/dbraw/zinc/18/27/06/806182706.db2.gz UMTULCBUTRGWGX-SJORKVTESA-N 1 3 292.467 3.066 20 0 CGADHO CCCC[NH+](CCCC)CCCNC[C@@H](O)C(C)(C)C ZINC001253741892 806293649 /nfs/dbraw/zinc/29/36/49/806293649.db2.gz NNXKRVWETOWOTP-MRXNPFEDSA-N 1 3 286.504 3.275 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1cc(F)ccc1F ZINC001254505859 806424711 /nfs/dbraw/zinc/42/47/11/806424711.db2.gz KBVHDPFTBJZCFW-CJNGLKHVSA-N 1 3 282.378 3.490 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504800 806424734 /nfs/dbraw/zinc/42/47/34/806424734.db2.gz WKOVXMJJNLHVFW-GOEBONIOSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504800 806424739 /nfs/dbraw/zinc/42/47/39/806424739.db2.gz WKOVXMJJNLHVFW-GOEBONIOSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@H]2CCc3c2cccc3Cl)CC1 ZINC001254504474 806425377 /nfs/dbraw/zinc/42/53/77/806425377.db2.gz BNKOYJUKBUNWNT-WBMJQRKESA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@H]2CCc3c2cccc3Cl)CC1 ZINC001254504474 806425380 /nfs/dbraw/zinc/42/53/80/806425380.db2.gz BNKOYJUKBUNWNT-WBMJQRKESA-N 1 3 278.827 3.401 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CC=C(c3ccccc3)CC2)CC1 ZINC001254528628 806442884 /nfs/dbraw/zinc/44/28/84/806442884.db2.gz HTAHCLIWDVHJPO-GOSISDBHSA-N 1 3 270.420 3.260 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CC=C(c3ccccc3)CC2)CC1 ZINC001254528628 806442888 /nfs/dbraw/zinc/44/28/88/806442888.db2.gz HTAHCLIWDVHJPO-GOSISDBHSA-N 1 3 270.420 3.260 20 0 CGADHO CN(C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136397 806551505 /nfs/dbraw/zinc/55/15/05/806551505.db2.gz KLKQRBCTBQKOJC-BCDXTJNWSA-N 1 3 270.420 3.276 20 0 CGADHO CN(C1CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136397 806551509 /nfs/dbraw/zinc/55/15/09/806551509.db2.gz KLKQRBCTBQKOJC-BCDXTJNWSA-N 1 3 270.420 3.276 20 0 CGADHO Cc1cc2cc(NC[C@@]3(F)CCCC[NH2+]C3)ccc2cn1 ZINC001162586625 806624671 /nfs/dbraw/zinc/62/46/71/806624671.db2.gz XLRNGPDSOBLTJR-QGZVFWFLSA-N 1 3 287.382 3.437 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001255527562 806663688 /nfs/dbraw/zinc/66/36/88/806663688.db2.gz OPFQTPVGWFMRMC-IAGOWNOFSA-N 1 3 290.451 3.227 20 0 CGADHO CC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000043814397 798889338 /nfs/dbraw/zinc/88/93/38/798889338.db2.gz DDAHLVUJOILHIR-CQSZACIVSA-N 1 3 276.424 3.352 20 0 CGADHO CC1CCC([NH+]2CCC(N3CCCC3)CC2)CC1 ZINC000092898998 798960399 /nfs/dbraw/zinc/96/03/99/798960399.db2.gz AFRCYVSFAYNAGI-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CC1CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000092898998 798960395 /nfs/dbraw/zinc/96/03/95/798960395.db2.gz AFRCYVSFAYNAGI-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CCCC1CCC([N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC000381510331 799382176 /nfs/dbraw/zinc/38/21/76/799382176.db2.gz OLRBQTFDQAKXQO-PCKAHOCUSA-N 1 3 252.446 3.406 20 0 CGADHO CCCC1CCC([N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC000381510331 799382186 /nfs/dbraw/zinc/38/21/86/799382186.db2.gz OLRBQTFDQAKXQO-PCKAHOCUSA-N 1 3 252.446 3.406 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC001255780041 806748568 /nfs/dbraw/zinc/74/85/68/806748568.db2.gz GRYVUYCIQNUESR-CGTJXYLNSA-N 1 3 274.452 3.388 20 0 CGADHO CSCCCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395104935 799502352 /nfs/dbraw/zinc/50/23/52/799502352.db2.gz BWHATEXESOMICN-KGLIPLIRSA-N 1 3 258.475 3.030 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc(Cl)nc2)[C@@H]1CCC[NH3+] ZINC000693482296 799810373 /nfs/dbraw/zinc/81/03/73/799810373.db2.gz VXJBSSFFWQZFJU-TZMCWYRMSA-N 1 3 281.831 3.074 20 0 CGADHO C(C[NH2+]C1CCCCC1)CN1CCC12CCCC2 ZINC000707623793 799978696 /nfs/dbraw/zinc/97/86/96/799978696.db2.gz YQTQCVMJOBBHLZ-UHFFFAOYSA-N 1 3 250.430 3.317 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)(C)Cc1cccnc1 ZINC001255951145 806795074 /nfs/dbraw/zinc/79/50/74/806795074.db2.gz GWRHMDRFBJHBCU-MRXNPFEDSA-N 1 3 291.483 3.360 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC001255951295 806795728 /nfs/dbraw/zinc/79/57/28/806795728.db2.gz PQMFETQBCSVWNL-HUUCEWRRSA-N 1 3 278.440 3.033 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709992913 800026588 /nfs/dbraw/zinc/02/65/88/800026588.db2.gz RELJTSCJGWJTHV-WMLDXEAASA-N 1 3 292.854 3.347 20 0 CGADHO CC(C)OC1CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000715173011 800132243 /nfs/dbraw/zinc/13/22/43/800132243.db2.gz CLMJATQZBZUXEI-GMRIPVOYSA-N 1 3 282.472 3.185 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715575713 800140071 /nfs/dbraw/zinc/14/00/71/800140071.db2.gz YYMARPGZPMXFML-SQNIBIBYSA-N 1 3 274.452 3.470 20 0 CGADHO CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712544 800179041 /nfs/dbraw/zinc/17/90/41/800179041.db2.gz MKFQNGJYXLSCTL-KSZLIROESA-N 1 3 272.436 3.429 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000718756047 800222041 /nfs/dbraw/zinc/22/20/41/800222041.db2.gz WCZFMTMKBLEPLI-BRWVUGGUSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cncc([C@@H](NC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256074108 806813317 /nfs/dbraw/zinc/81/33/17/806813317.db2.gz LFLCYBVKTFNEHY-SFHVURJKSA-N 1 3 285.435 3.058 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925705239 800632480 /nfs/dbraw/zinc/63/24/80/800632480.db2.gz ANEUMNAVPVGKLB-HSFUPAIVSA-N 1 3 284.447 3.156 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC001256561597 806916396 /nfs/dbraw/zinc/91/63/96/806916396.db2.gz ATKDDGSMDCHPGO-QGZVFWFLSA-N 1 3 287.451 3.312 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001256572606 806918722 /nfs/dbraw/zinc/91/87/22/806918722.db2.gz TYTYPFGBBOBOJY-HNNXBMFYSA-N 1 3 287.451 3.134 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001256572606 806918728 /nfs/dbraw/zinc/91/87/28/806918728.db2.gz TYTYPFGBBOBOJY-HNNXBMFYSA-N 1 3 287.451 3.134 20 0 CGADHO C[N@H+](CC1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256695563 806950125 /nfs/dbraw/zinc/95/01/25/806950125.db2.gz DXBICBCDCDMZMD-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@@H+](CC1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256695563 806950127 /nfs/dbraw/zinc/95/01/27/806950127.db2.gz DXBICBCDCDMZMD-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H]([NH2+]C/C=C/C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001117713834 802480030 /nfs/dbraw/zinc/48/00/30/802480030.db2.gz YJPSSMDEKVSGPB-OAWFPAICSA-N 1 3 284.447 3.453 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001118020366 802519229 /nfs/dbraw/zinc/51/92/29/802519229.db2.gz VHULVDGUCAMUJH-VXGBXAGGSA-N 1 3 288.357 3.224 20 0 CGADHO COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001200820572 811748847 /nfs/dbraw/zinc/74/88/47/811748847.db2.gz IZLKULRHXHEDDV-DGEHHSODSA-N 1 3 288.435 3.171 20 0 CGADHO CCc1cccc2c(C[N@@H+]3C[C@H]4CN(CC)C[C@H]4C3)c[nH]c21 ZINC001138363598 803905317 /nfs/dbraw/zinc/90/53/17/803905317.db2.gz LNGFCMBNHIHAQY-CALCHBBNSA-N 1 3 297.446 3.114 20 0 CGADHO CCc1cccc2c(C[N@H+]3C[C@H]4CN(CC)C[C@H]4C3)c[nH]c21 ZINC001138363598 803905324 /nfs/dbraw/zinc/90/53/24/803905324.db2.gz LNGFCMBNHIHAQY-CALCHBBNSA-N 1 3 297.446 3.114 20 0 CGADHO CN(C)c1ccnc(-c2ccc(C(C)(C)[NH3+])cc2)c1 ZINC001245907676 804035082 /nfs/dbraw/zinc/03/50/82/804035082.db2.gz DPQJMUOQNWTBCI-UHFFFAOYSA-N 1 3 255.365 3.008 20 0 CGADHO CC(C)([NH3+])c1ccc(-c2cncc3cc[nH]c32)cc1 ZINC001245914651 804041727 /nfs/dbraw/zinc/04/17/27/804041727.db2.gz UWKGHTKXRPAKBT-UHFFFAOYSA-N 1 3 251.333 3.424 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCCCCC2)CCN1 ZINC001246063387 804106440 /nfs/dbraw/zinc/10/64/40/804106440.db2.gz BSKGREAOTYFDFM-LSDHHAIUSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccccc1C[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246071174 804108753 /nfs/dbraw/zinc/10/87/53/804108753.db2.gz INHDTZAQKLCCIE-UXHICEINSA-N 1 3 294.442 3.448 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246073280 804109921 /nfs/dbraw/zinc/10/99/21/804109921.db2.gz WMFSHLRITIPUGU-WOJBJXKFSA-N 1 3 294.442 3.448 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccccc2C)CC[NH2+]1 ZINC001246075087 804114034 /nfs/dbraw/zinc/11/40/34/804114034.db2.gz HJLIZZSPBINJIP-ZWKOTPCHSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CCc2ccccc2C)CCN1 ZINC001246075087 804114040 /nfs/dbraw/zinc/11/40/40/804114040.db2.gz HJLIZZSPBINJIP-ZWKOTPCHSA-N 1 3 274.452 3.438 20 0 CGADHO CCCCCC1CCC([NH2+]C2CCNCC2)CC1 ZINC001246076955 804115564 /nfs/dbraw/zinc/11/55/64/804115564.db2.gz FJMJNSHJLYLCAE-UHFFFAOYSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1NCC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246102473 804136069 /nfs/dbraw/zinc/13/60/69/804136069.db2.gz OYUBDXBOPPHEEX-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]1CC[C@@H](CNC2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC001246116729 804148256 /nfs/dbraw/zinc/14/82/56/804148256.db2.gz XPQMEOCVSCMKRP-WTIISPKJSA-N 1 3 278.362 3.085 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)CCN1 ZINC001246117627 804149815 /nfs/dbraw/zinc/14/98/15/804149815.db2.gz SAMASVQERGGFHC-LVQVYYBASA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246118515 804151292 /nfs/dbraw/zinc/15/12/92/804151292.db2.gz ZYPNXCGCVGFWOX-QPSCCSFWSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001246118581 804151570 /nfs/dbraw/zinc/15/15/70/804151570.db2.gz SKIOGNPPFXXXGO-WOSRLPQWSA-N 1 3 296.455 3.284 20 0 CGADHO C[C@H]1C[C@H](NCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246160052 804175191 /nfs/dbraw/zinc/17/51/91/804175191.db2.gz SBNLXHMQCGTXFD-WDEREUQCSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCc2c(Cl)cccc2Cl)CCN1 ZINC001246160052 804175195 /nfs/dbraw/zinc/17/51/95/804175195.db2.gz SBNLXHMQCGTXFD-WDEREUQCSA-N 1 3 287.234 3.266 20 0 CGADHO CC[C@H]1C[C@@H](NCCSCc2ccc(F)cc2)CC[NH2+]1 ZINC001246173032 804187716 /nfs/dbraw/zinc/18/77/16/804187716.db2.gz JQFNGYXAIJCOPT-HOTGVXAUSA-N 1 3 296.455 3.179 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246208064 804206927 /nfs/dbraw/zinc/20/69/27/804206927.db2.gz AWKJZZHSKOUMKR-UKRRQHHQSA-N 1 3 250.430 3.077 20 0 CGADHO CCCC[C@@H](CC)COCCC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246217103 804211539 /nfs/dbraw/zinc/21/15/39/804211539.db2.gz PUQVJFQJQXCGCE-GVDBMIGSSA-N 1 3 284.488 3.340 20 0 CGADHO CC(C)C([NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1)C(C)C ZINC001246241327 804234068 /nfs/dbraw/zinc/23/40/68/804234068.db2.gz ZHYQMBBLVAJTFF-UONOGXRCSA-N 1 3 254.462 3.423 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255544 804240314 /nfs/dbraw/zinc/24/03/14/804240314.db2.gz BYXQZQKOSYEJHA-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO CCCC[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246270310 804248550 /nfs/dbraw/zinc/24/85/50/804248550.db2.gz LVXWEZCHVYNMFU-XLAORIBOSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC001246273523 804250029 /nfs/dbraw/zinc/25/00/29/804250029.db2.gz PCIZFBTZKDBJKG-SMDDNHRTSA-N 1 3 284.806 3.142 20 0 CGADHO C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)C1CCCCCC1 ZINC001246271068 804250184 /nfs/dbraw/zinc/25/01/84/804250184.db2.gz HMYRRFKGLHVFMH-MUJYYYPQSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H](CCN)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246299966 804266082 /nfs/dbraw/zinc/26/60/82/804266082.db2.gz KVLIVYMGHQARNT-JOYOIKCWSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@H](CCN)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246300916 804266729 /nfs/dbraw/zinc/26/67/29/804266729.db2.gz QDDMZTRKVMRKOR-ODIFPOPNSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H]1CC([NH2+]CCCC2CCCCC2)C[C@H](C)N1 ZINC001246325288 804282914 /nfs/dbraw/zinc/28/29/14/804282914.db2.gz IVKGSTQKZAIQJL-KBPBESRZSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCNC(C)(C)C2)CC1 ZINC001246333189 804287390 /nfs/dbraw/zinc/28/73/90/804287390.db2.gz JMAXANSIVFXCIY-YMAMQOFZSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246333568 804287858 /nfs/dbraw/zinc/28/78/58/804287858.db2.gz KBMBYKOARJXUQT-BARDWOONSA-N 1 3 252.446 3.321 20 0 CGADHO CCCC1CCC([NH2+][C@H]2CCN[C@H](CC)C2)CC1 ZINC001246339602 804292480 /nfs/dbraw/zinc/29/24/80/804292480.db2.gz QMWCDVPJDQLZTQ-KNIAUWFNSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCNCC1(C)C ZINC001246369920 804308350 /nfs/dbraw/zinc/30/83/50/804308350.db2.gz DNDGOZAMMAODTR-ZNMIVQPWSA-N 1 3 254.462 3.425 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246369233 804308803 /nfs/dbraw/zinc/30/88/03/804308803.db2.gz ZAANGEYHZHFHGR-HNNXBMFYSA-N 1 3 298.471 3.010 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC001246377189 804311231 /nfs/dbraw/zinc/31/12/31/804311231.db2.gz MSFDNAQZIULQCR-NVXWUHKLSA-N 1 3 274.452 3.294 20 0 CGADHO Clc1ccccc1CC1(C[NH2+]C2CCNCC2)CC1 ZINC001246383325 804313407 /nfs/dbraw/zinc/31/34/07/804313407.db2.gz HULCUBYXDKYWFZ-UHFFFAOYSA-N 1 3 278.827 3.004 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246385809 804315965 /nfs/dbraw/zinc/31/59/65/804315965.db2.gz FFUHOOYREUWUHD-INIZCTEOSA-N 1 3 284.488 3.484 20 0 CGADHO CC[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246394497 804319399 /nfs/dbraw/zinc/31/93/99/804319399.db2.gz SIOPAZKTKWNQRE-ZDUSSCGKSA-N 1 3 280.843 3.393 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246396401 804319543 /nfs/dbraw/zinc/31/95/43/804319543.db2.gz ZHXKJWOVBQMEPY-ZIAGYGMSSA-N 1 3 252.446 3.321 20 0 CGADHO Clc1ccc(CCCCN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246412702 804325121 /nfs/dbraw/zinc/32/51/21/804325121.db2.gz KWQSLEHBARUQLB-OAHLLOKOSA-N 1 3 266.816 3.004 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246431043 804330746 /nfs/dbraw/zinc/33/07/46/804330746.db2.gz INULDZZTJGHIQS-BBRMVZONSA-N 1 3 278.415 3.125 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246438987 804333423 /nfs/dbraw/zinc/33/34/23/804333423.db2.gz MFPMUQOBEIPUME-SJORKVTESA-N 1 3 290.426 3.269 20 0 CGADHO CCC[C@@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246455117 804337883 /nfs/dbraw/zinc/33/78/83/804337883.db2.gz GGNXBCFMFPCDNN-OAHLLOKOSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246463925 804343556 /nfs/dbraw/zinc/34/35/56/804343556.db2.gz UUAGYRHTCSJWRJ-XWTMOSNGSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)CCC[C@@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246493424 804358568 /nfs/dbraw/zinc/35/85/68/804358568.db2.gz GOXVNPUFTCUZKR-OAHLLOKOSA-N 1 3 291.483 3.243 20 0 CGADHO CCCCC[C@@H](CC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246496721 804360603 /nfs/dbraw/zinc/36/06/03/804360603.db2.gz VPFUIEDNFFVEOU-QGZVFWFLSA-N 1 3 291.483 3.387 20 0 CGADHO CC[C@H](N[C@H](C)CSc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC001246513367 804367162 /nfs/dbraw/zinc/36/71/62/804367162.db2.gz DLWHYZODVONJMR-ABAIWWIYSA-N 1 3 298.883 3.408 20 0 CGADHO CC(C)[C@@H]1C[C@H](N[C@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246508126 804368285 /nfs/dbraw/zinc/36/82/85/804368285.db2.gz DHCDNXIWTOHWRI-IKGGRYGDSA-N 1 3 292.854 3.173 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246513850 804369286 /nfs/dbraw/zinc/36/92/86/804369286.db2.gz FHWYJESLINRPRR-HZPDHXFCSA-N 1 3 252.446 3.323 20 0 CGADHO Clc1ccc([C@H](C[NH2+]C2CCNCC2)C2CC2)cc1 ZINC001246514723 804369919 /nfs/dbraw/zinc/36/99/19/804369919.db2.gz KRPJCJVWRZCVRM-MRXNPFEDSA-N 1 3 278.827 3.175 20 0 CGADHO CC[C@@H]([NH2+]C1CCC(Cc2ccccc2)CC1)C1CNC1 ZINC001246520088 804373001 /nfs/dbraw/zinc/37/30/01/804373001.db2.gz UVUAKQRRAJECBV-NKELODKYSA-N 1 3 286.463 3.376 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H](N)C1 ZINC001246537369 804384880 /nfs/dbraw/zinc/38/48/80/804384880.db2.gz VZEHVNFPZQTRGX-KBPBESRZSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H](N)C1 ZINC001246537369 804384888 /nfs/dbraw/zinc/38/48/88/804384888.db2.gz VZEHVNFPZQTRGX-KBPBESRZSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@H]1c2ccccc2CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540508 804387004 /nfs/dbraw/zinc/38/70/04/804387004.db2.gz AZUKTULJJKYIGO-GOEBONIOSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246540508 804387012 /nfs/dbraw/zinc/38/70/12/804387012.db2.gz AZUKTULJJKYIGO-GOEBONIOSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246540508 804387019 /nfs/dbraw/zinc/38/70/19/804387019.db2.gz AZUKTULJJKYIGO-GOEBONIOSA-N 1 3 270.420 3.280 20 0 CGADHO [NH3+][C@@H]1CCCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543577 804392669 /nfs/dbraw/zinc/39/26/69/804392669.db2.gz ULNIROSZRXOGOQ-HZPDHXFCSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@@H]1c2ccccc2CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546273 804395276 /nfs/dbraw/zinc/39/52/76/804395276.db2.gz JLGCBADISLDFQA-SIXLDLHFSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546273 804395284 /nfs/dbraw/zinc/39/52/84/804395284.db2.gz JLGCBADISLDFQA-SIXLDLHFSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546273 804395293 /nfs/dbraw/zinc/39/52/93/804395293.db2.gz JLGCBADISLDFQA-SIXLDLHFSA-N 1 3 270.420 3.279 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246547468 804396788 /nfs/dbraw/zinc/39/67/88/804396788.db2.gz PUYLRFZDPXSDFY-SJORKVTESA-N 1 3 260.425 3.211 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](N)CC1 ZINC001246547468 804396797 /nfs/dbraw/zinc/39/67/97/804396797.db2.gz PUYLRFZDPXSDFY-SJORKVTESA-N 1 3 260.425 3.211 20 0 CGADHO CCCC[C@@H]1C[C@H](N2CCC(C)(F)CC2)CC[NH2+]1 ZINC001246548773 804398429 /nfs/dbraw/zinc/39/84/29/804398429.db2.gz GNUCWGOWGXBDMR-ZIAGYGMSSA-N 1 3 256.409 3.121 20 0 CGADHO C[C@]1([NH3+])CCCN([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551108 804400597 /nfs/dbraw/zinc/40/05/97/804400597.db2.gz KREDBJWQCDONFB-YOEHRIQHSA-N 1 3 294.389 3.025 20 0 CGADHO C[C@]1([NH3+])CCCN([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554550 804404264 /nfs/dbraw/zinc/40/42/64/804404264.db2.gz WIKGRMRTVKWPCJ-YOEHRIQHSA-N 1 3 294.389 3.025 20 0 CGADHO [NH3+]C[C@H]1CN(C2CCC3(CCCC3)CC2)CCC1(F)F ZINC001246555481 804406075 /nfs/dbraw/zinc/40/60/75/804406075.db2.gz GVNCHRGEMKXVOF-ZDUSSCGKSA-N 1 3 286.410 3.405 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246561921 804410218 /nfs/dbraw/zinc/41/02/18/804410218.db2.gz HEHYAXYKTMCUIP-VHDGCEQUSA-N 1 3 292.854 3.257 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CC[NH2+]C[C@H](C)C1 ZINC001246570452 804417152 /nfs/dbraw/zinc/41/71/52/804417152.db2.gz INXOKRBKCFUTSV-WMZOPIPTSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC001246571289 804419369 /nfs/dbraw/zinc/41/93/69/804419369.db2.gz IIHRSRFQHOBQCP-ILXRZTDVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC001246571289 804419373 /nfs/dbraw/zinc/41/93/73/804419373.db2.gz IIHRSRFQHOBQCP-ILXRZTDVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@]1(F)CCN(C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1F ZINC001246591807 804433125 /nfs/dbraw/zinc/43/31/25/804433125.db2.gz XSLZFWODBCSSAO-LVDPKSTMSA-N 1 3 286.410 3.071 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246591640 804434200 /nfs/dbraw/zinc/43/42/00/804434200.db2.gz NHPIKVNTTCOHPX-UMVBOHGHSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246593865 804434512 /nfs/dbraw/zinc/43/45/12/804434512.db2.gz TWTVAPGPVAXFJJ-VNHYZAJKSA-N 1 3 292.854 3.257 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@]12CCCNC2 ZINC001246598863 804439148 /nfs/dbraw/zinc/43/91/48/804439148.db2.gz BJLJQMRQRQYZQA-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]12CCCNC2 ZINC001246598863 804439151 /nfs/dbraw/zinc/43/91/51/804439151.db2.gz BJLJQMRQRQYZQA-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001246610427 804444388 /nfs/dbraw/zinc/44/43/88/804444388.db2.gz QXVSTOBRSSWGIS-IEBWSBKVSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001246610427 804444392 /nfs/dbraw/zinc/44/43/92/804444392.db2.gz QXVSTOBRSSWGIS-IEBWSBKVSA-N 1 3 286.463 3.392 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246614191 804448140 /nfs/dbraw/zinc/44/81/40/804448140.db2.gz MSPABQDVNXYAAC-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246614191 804448146 /nfs/dbraw/zinc/44/81/46/804448146.db2.gz MSPABQDVNXYAAC-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]1CC(N2CCC[C@@]3(CCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246618291 804452067 /nfs/dbraw/zinc/45/20/67/804452067.db2.gz JSLJFMUXBMDNBS-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619928 804453112 /nfs/dbraw/zinc/45/31/12/804453112.db2.gz MTUNAJWKGPXHJE-VYDXJSESSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H](Cc1ccccc1)N1CCC2(CCC[NH2+]2)CC1 ZINC001246626238 804457364 /nfs/dbraw/zinc/45/73/64/804457364.db2.gz USMNXFQVWIRJNO-KRWDZBQOSA-N 1 3 272.436 3.226 20 0 CGADHO C1NCC12CC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001246631078 804462305 /nfs/dbraw/zinc/46/23/05/804462305.db2.gz OQGGWUNUXRPIPK-HNNXBMFYSA-N 1 3 262.441 3.175 20 0 CGADHO C1NCC12CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001246631078 804462307 /nfs/dbraw/zinc/46/23/07/804462307.db2.gz OQGGWUNUXRPIPK-HNNXBMFYSA-N 1 3 262.441 3.175 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC12CCNCC2 ZINC001246647884 804475630 /nfs/dbraw/zinc/47/56/30/804475630.db2.gz UVCMAKSYLMXMCA-CQSZACIVSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC12CCNCC2 ZINC001246647884 804475634 /nfs/dbraw/zinc/47/56/34/804475634.db2.gz UVCMAKSYLMXMCA-CQSZACIVSA-N 1 3 292.854 3.489 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@]13CCCNC3)CC2 ZINC001246649532 804476849 /nfs/dbraw/zinc/47/68/49/804476849.db2.gz CMFDEMJOTVVZLQ-UXHICEINSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@]13CCCNC3)CC2 ZINC001246649532 804476852 /nfs/dbraw/zinc/47/68/52/804476852.db2.gz CMFDEMJOTVVZLQ-UXHICEINSA-N 1 3 298.474 3.460 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@]23CCCNC3)C[C@H]1C ZINC001246649785 804477497 /nfs/dbraw/zinc/47/74/97/804477497.db2.gz FATVUNBIFQKBIY-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CCCNC3)C[C@H]1C ZINC001246649785 804477504 /nfs/dbraw/zinc/47/75/04/804477504.db2.gz FATVUNBIFQKBIY-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)[C@@H]2C[C@H](N3CCCC[C@@]34CCC[NH2+]C4)C[C@@H]21 ZINC001246653088 804478634 /nfs/dbraw/zinc/47/86/34/804478634.db2.gz QXUWEEGCWXAPQB-IVSAIRAKSA-N 1 3 262.441 3.029 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCCC[C@@]34CCCNC4)C[C@@H]21 ZINC001246653088 804478638 /nfs/dbraw/zinc/47/86/38/804478638.db2.gz QXUWEEGCWXAPQB-IVSAIRAKSA-N 1 3 262.441 3.029 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@]34CCCNC4)C[C@@H]21 ZINC001246653088 804478644 /nfs/dbraw/zinc/47/86/44/804478644.db2.gz QXUWEEGCWXAPQB-IVSAIRAKSA-N 1 3 262.441 3.029 20 0 CGADHO CCC1CCC([N@@H+]2CCCC23CCNCC3)CC1 ZINC001246657677 804482225 /nfs/dbraw/zinc/48/22/25/804482225.db2.gz XLWKWUQCKUKQJA-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CCC1CCC([N@H+]2CCCC23CCNCC3)CC1 ZINC001246657677 804482227 /nfs/dbraw/zinc/48/22/27/804482227.db2.gz XLWKWUQCKUKQJA-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO C1[C@H]2CC[NH2+]C[C@H]2N1[C@@H]1CCCC2(CCCCC2)C1 ZINC001246664100 804486490 /nfs/dbraw/zinc/48/64/90/804486490.db2.gz OLONGJLYHMQICY-BZUAXINKSA-N 1 3 262.441 3.173 20 0 CGADHO CCCCC1CC[NH+](C2C[C@@H](C)N[C@H](C)C2)CC1 ZINC001246680113 804494432 /nfs/dbraw/zinc/49/44/32/804494432.db2.gz HXOUUTRTRUGOSI-ZIAGYGMSSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246685710 804495847 /nfs/dbraw/zinc/49/58/47/804495847.db2.gz AWPVIYJBSCYYHJ-JYJNAYRXSA-N 1 3 268.420 3.145 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246685710 804495852 /nfs/dbraw/zinc/49/58/52/804495852.db2.gz AWPVIYJBSCYYHJ-JYJNAYRXSA-N 1 3 268.420 3.145 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246692197 804498791 /nfs/dbraw/zinc/49/87/91/804498791.db2.gz MZOFIMHQMBGUFA-JYJNAYRXSA-N 1 3 270.436 3.225 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246692197 804498796 /nfs/dbraw/zinc/49/87/96/804498796.db2.gz MZOFIMHQMBGUFA-JYJNAYRXSA-N 1 3 270.436 3.225 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@@H](C(C)C)C1 ZINC001246790787 804513716 /nfs/dbraw/zinc/51/37/16/804513716.db2.gz MXOWWROFEQTDJO-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@@H](C(C)C)C1 ZINC001246790787 804513719 /nfs/dbraw/zinc/51/37/19/804513719.db2.gz MXOWWROFEQTDJO-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@@H]2c2cccs2)CC[NH2+]1 ZINC001246790495 804514387 /nfs/dbraw/zinc/51/43/87/804514387.db2.gz WWAMKYWBYJTWHK-FRRDWIJNSA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2cccs2)CCN1 ZINC001246790495 804514391 /nfs/dbraw/zinc/51/43/91/804514391.db2.gz WWAMKYWBYJTWHK-FRRDWIJNSA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2cccs2)CCN1 ZINC001246790495 804514394 /nfs/dbraw/zinc/51/43/94/804514394.db2.gz WWAMKYWBYJTWHK-FRRDWIJNSA-N 1 3 250.411 3.026 20 0 CGADHO CC[N@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CCNCC1 ZINC001246796024 804518832 /nfs/dbraw/zinc/51/88/32/804518832.db2.gz DWQUXKPELMUXSO-LBPRGKRZSA-N 1 3 298.833 3.484 20 0 CGADHO CC[N@@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CCNCC1 ZINC001246796024 804518835 /nfs/dbraw/zinc/51/88/35/804518835.db2.gz DWQUXKPELMUXSO-LBPRGKRZSA-N 1 3 298.833 3.484 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(Cc2ccc(F)cc2)CC1 ZINC001246825755 804539203 /nfs/dbraw/zinc/53/92/03/804539203.db2.gz IZAVQYVSWHBPPK-CQSZACIVSA-N 1 3 278.415 3.078 20 0 CGADHO COc1cccc([C@@H]2CCCN2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246845421 804553724 /nfs/dbraw/zinc/55/37/24/804553724.db2.gz FZUKFSPDASGAPJ-WBVHZDCISA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCNC(C)(C)C2)c1 ZINC001246845421 804553729 /nfs/dbraw/zinc/55/37/29/804553729.db2.gz FZUKFSPDASGAPJ-WBVHZDCISA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCNC(C)(C)C2)c1 ZINC001246845421 804553732 /nfs/dbraw/zinc/55/37/32/804553732.db2.gz FZUKFSPDASGAPJ-WBVHZDCISA-N 1 3 288.435 3.363 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001246848458 804558522 /nfs/dbraw/zinc/55/85/22/804558522.db2.gz VUGWWUGMDBHNKA-AWEZNQCLSA-N 1 3 250.430 3.303 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1C1CCC2(CCCC2)CC1 ZINC001246848458 804558529 /nfs/dbraw/zinc/55/85/29/804558529.db2.gz VUGWWUGMDBHNKA-AWEZNQCLSA-N 1 3 250.430 3.303 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CC2(C1)CCC[NH2+]CC2 ZINC001246882200 804577635 /nfs/dbraw/zinc/57/76/35/804577635.db2.gz XMUUGDUXRCDFCB-CQSZACIVSA-N 1 3 292.854 3.347 20 0 CGADHO c1ccc(C2CCC([NH+]3CCCNCCC3)CC2)cc1 ZINC001246907710 804591559 /nfs/dbraw/zinc/59/15/59/804591559.db2.gz ULORWTDOYFNUPT-UHFFFAOYSA-N 1 3 272.436 3.398 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](CC2CC2)C2CC2)C[C@H](CC)N1 ZINC001246911075 804595015 /nfs/dbraw/zinc/59/50/15/804595015.db2.gz DTFOYNLMBVVPRO-MIFYACCESA-N 1 3 250.430 3.170 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)C[C@H](CC)N1 ZINC001246911075 804595021 /nfs/dbraw/zinc/59/50/21/804595021.db2.gz DTFOYNLMBVVPRO-MIFYACCESA-N 1 3 250.430 3.170 20 0 CGADHO COc1cccc(C2CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC001246944325 804612049 /nfs/dbraw/zinc/61/20/49/804612049.db2.gz WSDRRAOSLVZHBC-YOEHRIQHSA-N 1 3 288.435 3.015 20 0 CGADHO COc1cccc(C2CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)c1 ZINC001246944325 804612053 /nfs/dbraw/zinc/61/20/53/804612053.db2.gz WSDRRAOSLVZHBC-YOEHRIQHSA-N 1 3 288.435 3.015 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccccc1Cl ZINC001246944191 804612590 /nfs/dbraw/zinc/61/25/90/804612590.db2.gz UWAJYOQBXZKASF-KBPBESRZSA-N 1 3 280.843 3.202 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccccc1Cl ZINC001246944193 804612882 /nfs/dbraw/zinc/61/28/82/804612882.db2.gz UWAJYOQBXZKASF-UONOGXRCSA-N 1 3 280.843 3.202 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(F)cc1Cl ZINC001246950208 804616224 /nfs/dbraw/zinc/61/62/24/804616224.db2.gz VYKYZHLMURQMNL-CHWSQXEVSA-N 1 3 298.833 3.342 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977992 804626284 /nfs/dbraw/zinc/62/62/84/804626284.db2.gz GTQXCROGIQCHIM-BHIYHBOVSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977992 804626288 /nfs/dbraw/zinc/62/62/88/804626288.db2.gz GTQXCROGIQCHIM-BHIYHBOVSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N(C)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002176 804636028 /nfs/dbraw/zinc/63/60/28/804636028.db2.gz SBIOWFUVXSPPIM-SZMVWBNQSA-N 1 3 272.436 3.382 20 0 CGADHO CC(C)[NH+]1CCC(N2CCC(c3ccncc3)CC2)CC1 ZINC001257220749 807064483 /nfs/dbraw/zinc/06/44/83/807064483.db2.gz VLMFUHUHWLMPHQ-UHFFFAOYSA-N 1 3 287.451 3.134 20 0 CGADHO c1cncc(CN2CCC(C[NH2+]C3CCCCC3)CC2)c1 ZINC001257452879 807164324 /nfs/dbraw/zinc/16/43/24/807164324.db2.gz UMVPDNOZBOKJQC-UHFFFAOYSA-N 1 3 287.451 3.216 20 0 CGADHO C1=CC[C@@H](CN2CCC([NH2+][C@H]3CCCSC3)CC2)CC1 ZINC001257667347 807208899 /nfs/dbraw/zinc/20/88/99/807208899.db2.gz CJCPDHWIHXIXDG-WBVHZDCISA-N 1 3 294.508 3.292 20 0 CGADHO Cc1cc2cc(NCCN3CCSCC3)ccc2c[nH+]1 ZINC001167839405 807260220 /nfs/dbraw/zinc/26/02/20/807260220.db2.gz NGEATKZMZNASCT-UHFFFAOYSA-N 1 3 287.432 3.004 20 0 CGADHO Cc1ccc2c(c1)C[N@H+](C1CCN(CC(C)C)CC1)CC2 ZINC001258011119 807264023 /nfs/dbraw/zinc/26/40/23/807264023.db2.gz IWAOOGVHQYPJKD-UHFFFAOYSA-N 1 3 286.463 3.474 20 0 CGADHO Cc1ccc2c(c1)C[N@@H+](C1CCN(CC(C)C)CC1)CC2 ZINC001258011119 807264025 /nfs/dbraw/zinc/26/40/25/807264025.db2.gz IWAOOGVHQYPJKD-UHFFFAOYSA-N 1 3 286.463 3.474 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167913679 807272108 /nfs/dbraw/zinc/27/21/08/807272108.db2.gz PUJASZVTEZHRJD-SCAQPMJSSA-N 1 3 262.441 3.029 20 0 CGADHO C[NH+](C)C1CCC(NCc2cc(-c3ccccc3)on2)CC1 ZINC001168298341 807375043 /nfs/dbraw/zinc/37/50/43/807375043.db2.gz NVQIIACEGUHDJY-UHFFFAOYSA-N 1 3 299.418 3.304 20 0 CGADHO Cc1cncc([C@H]([NH2+]C2CCN(CC3CC3)CC2)C2CC2)c1 ZINC001168372485 807397893 /nfs/dbraw/zinc/39/78/93/807397893.db2.gz YPESSKHMKROHAK-LJQANCHMSA-N 1 3 299.462 3.305 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168454868 807421653 /nfs/dbraw/zinc/42/16/53/807421653.db2.gz BJKDWPNHFJYAGJ-OAHLLOKOSA-N 1 3 280.431 3.468 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349038 807422993 /nfs/dbraw/zinc/42/29/93/807422993.db2.gz KQUJLIVIKOPDEJ-SOUVJXGZSA-N 1 3 284.513 3.180 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CC(C)(C)SC)C[C@@H]2C1 ZINC001258349038 807422994 /nfs/dbraw/zinc/42/29/94/807422994.db2.gz KQUJLIVIKOPDEJ-SOUVJXGZSA-N 1 3 284.513 3.180 20 0 CGADHO COc1ccc(C2([NH3+])CCN([C@@H](C)CC3CC3)CC2)cc1 ZINC001258456840 807462052 /nfs/dbraw/zinc/46/20/52/807462052.db2.gz QUZWYMLAKYWODE-AWEZNQCLSA-N 1 3 288.435 3.134 20 0 CGADHO C[C@@H](Cc1cccnc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001258612648 807508884 /nfs/dbraw/zinc/50/88/84/807508884.db2.gz CYJQWMFWTGFGDV-QFBILLFUSA-N 1 3 297.446 3.295 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+](CCCN)C(C)C ZINC001258649989 807522495 /nfs/dbraw/zinc/52/24/95/807522495.db2.gz WNSBHQMZUMYSKQ-QGZVFWFLSA-N 1 3 262.441 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCCN)C(C)C ZINC001258649989 807522499 /nfs/dbraw/zinc/52/24/99/807522499.db2.gz WNSBHQMZUMYSKQ-QGZVFWFLSA-N 1 3 262.441 3.457 20 0 CGADHO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169095386 807573630 /nfs/dbraw/zinc/57/36/30/807573630.db2.gz QOILWXKVRHBTTI-OSYLJGHBSA-N 1 3 258.409 3.018 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141452 807588520 /nfs/dbraw/zinc/58/85/20/807588520.db2.gz QNOCENJGTBCCAY-WCVJEAGWSA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141452 807588526 /nfs/dbraw/zinc/58/85/26/807588526.db2.gz QNOCENJGTBCCAY-WCVJEAGWSA-N 1 3 288.410 3.240 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](CC)C[C@H](C)CC)C[C@H]2C1 ZINC001258797123 807618711 /nfs/dbraw/zinc/61/87/11/807618711.db2.gz JMHOIPPSLWASAS-QBPKDAKJSA-N 1 3 266.473 3.475 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001258814140 807632345 /nfs/dbraw/zinc/63/23/45/807632345.db2.gz NXXZHLNREMYPPP-CRAIPNDOSA-N 1 3 294.483 3.046 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CC[C@@](C)(F)[C@@H](F)C1 ZINC001258908030 807672523 /nfs/dbraw/zinc/67/25/23/807672523.db2.gz QGZMCRNTVTUZPG-SOUVJXGZSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001170116364 807762550 /nfs/dbraw/zinc/76/25/50/807762550.db2.gz FFGLITKSVYGKRJ-CZUORRHYSA-N 1 3 276.399 3.264 20 0 CGADHO CC[C@@H]1C[C@H](N[C@@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001170169519 807784170 /nfs/dbraw/zinc/78/41/70/807784170.db2.gz DPFOHYADRGVDCF-KURKYZTESA-N 1 3 290.451 3.227 20 0 CGADHO CN(CCC[NH+](C)C)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170913145 807931052 /nfs/dbraw/zinc/93/10/52/807931052.db2.gz DSTMUAILORWABL-AWEZNQCLSA-N 1 3 280.843 3.081 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579886 808104189 /nfs/dbraw/zinc/10/41/89/808104189.db2.gz SBVKAIBKNNXGDO-OTWHNJEPSA-N 1 3 298.474 3.126 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579886 808104195 /nfs/dbraw/zinc/10/41/95/808104195.db2.gz SBVKAIBKNNXGDO-OTWHNJEPSA-N 1 3 298.474 3.126 20 0 CGADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CC[C@@H](F)C2)CC1(C)C ZINC001171614519 808105225 /nfs/dbraw/zinc/10/52/25/808105225.db2.gz ZXKOSZCTOVLINA-CHWSQXEVSA-N 1 3 270.436 3.366 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1(C)C ZINC001171620624 808106933 /nfs/dbraw/zinc/10/69/33/808106933.db2.gz AEHIQZBHBUCBEY-GZBFAFLISA-N 1 3 264.457 3.416 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@@H]2C2CC2)CC1(C)C ZINC001171628663 808108015 /nfs/dbraw/zinc/10/80/15/808108015.db2.gz FKECERDMETWVQW-ZIAGYGMSSA-N 1 3 250.430 3.026 20 0 CGADHO CCOCC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171642247 808111595 /nfs/dbraw/zinc/11/15/95/808111595.db2.gz HPAVAPLURPIJQK-UHFFFAOYSA-N 1 3 296.499 3.386 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCCOC(C)(C)C2)CC1(C)C ZINC001171639528 808111789 /nfs/dbraw/zinc/11/17/89/808111789.db2.gz NRMPNAMLFDCTBH-UHFFFAOYSA-N 1 3 282.472 3.139 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCCOC(C)(C)C2)CC1(C)C ZINC001171639528 808111792 /nfs/dbraw/zinc/11/17/92/808111792.db2.gz NRMPNAMLFDCTBH-UHFFFAOYSA-N 1 3 282.472 3.139 20 0 CGADHO Cc1ccnc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172102419 808174216 /nfs/dbraw/zinc/17/42/16/808174216.db2.gz MSBCXMGMYWHSPB-JONQDZQNSA-N 1 3 273.424 3.056 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3ncccc31)C2 ZINC001172104253 808174306 /nfs/dbraw/zinc/17/43/06/808174306.db2.gz BHRLXHNHFLAUQI-KRXQYRFLSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3ncccc31)C2 ZINC001172104253 808174309 /nfs/dbraw/zinc/17/43/09/808174309.db2.gz BHRLXHNHFLAUQI-KRXQYRFLSA-N 1 3 285.435 3.064 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107024 808176197 /nfs/dbraw/zinc/17/61/97/808176197.db2.gz SINUXNKMGOWLML-WCXIOVBPSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107024 808176200 /nfs/dbraw/zinc/17/62/00/808176200.db2.gz SINUXNKMGOWLML-WCXIOVBPSA-N 1 3 273.424 3.138 20 0 CGADHO Cc1cc([C@@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114660 808180495 /nfs/dbraw/zinc/18/04/95/808180495.db2.gz RXCLJDANVKWGGD-IVSAIRAKSA-N 1 3 289.423 3.135 20 0 CGADHO Cc1cc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114660 808180500 /nfs/dbraw/zinc/18/05/00/808180500.db2.gz RXCLJDANVKWGGD-IVSAIRAKSA-N 1 3 289.423 3.135 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3ccncc31)C2 ZINC001172113558 808181291 /nfs/dbraw/zinc/18/12/91/808181291.db2.gz KHPJTYTXYMHUNO-KYHPRHEASA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3ccncc31)C2 ZINC001172113558 808181294 /nfs/dbraw/zinc/18/12/94/808181294.db2.gz KHPJTYTXYMHUNO-KYHPRHEASA-N 1 3 285.435 3.064 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3cccc(F)c3C1)C2 ZINC001172124559 808185061 /nfs/dbraw/zinc/18/50/61/808185061.db2.gz LLMBHBIUPZUKHN-QDMKHBRRSA-N 1 3 274.383 3.157 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3cccc(F)c3C1)C2 ZINC001172124559 808185064 /nfs/dbraw/zinc/18/50/64/808185064.db2.gz LLMBHBIUPZUKHN-QDMKHBRRSA-N 1 3 274.383 3.157 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126824 808186342 /nfs/dbraw/zinc/18/63/42/808186342.db2.gz YKRSRBIVMXHLOE-PIIMJCKOSA-N 1 3 288.410 3.199 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126824 808186349 /nfs/dbraw/zinc/18/63/49/808186349.db2.gz YKRSRBIVMXHLOE-PIIMJCKOSA-N 1 3 288.410 3.199 20 0 CGADHO CC[C@@H](C)OCC[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001172321642 808230600 /nfs/dbraw/zinc/23/06/00/808230600.db2.gz MWRHCGCGLIIFOD-DLBZAZTESA-N 1 3 284.488 3.292 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N3CCCC3)CC2)C[C@@H]1C ZINC001172369278 808265067 /nfs/dbraw/zinc/26/50/67/808265067.db2.gz ZOFHRYSWNWKFJW-HLLBOEOZSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC001172369278 808265072 /nfs/dbraw/zinc/26/50/72/808265072.db2.gz ZOFHRYSWNWKFJW-HLLBOEOZSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@H]1C ZINC001172370269 808265887 /nfs/dbraw/zinc/26/58/87/808265887.db2.gz PTECZSVRNJEQBY-DUQPFJRNSA-N 1 3 294.483 3.044 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172651432 808409393 /nfs/dbraw/zinc/40/93/93/808409393.db2.gz BVSSHUQRFZCLBZ-DZGCQCFKSA-N 1 3 282.472 3.185 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839827 808454641 /nfs/dbraw/zinc/45/46/41/808454641.db2.gz VHBFIQBDLFKVRY-ZCNNSNEGSA-N 1 3 298.474 3.126 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839827 808454648 /nfs/dbraw/zinc/45/46/48/808454648.db2.gz VHBFIQBDLFKVRY-ZCNNSNEGSA-N 1 3 298.474 3.126 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881254 808475036 /nfs/dbraw/zinc/47/50/36/808475036.db2.gz ZBRVHJJFISQXEA-QWRGUYRKSA-N 1 3 272.845 3.005 20 0 CGADHO CC[NH+](CC)C1CCC(N[C@H](C)c2nccs2)CC1 ZINC001173103923 808510349 /nfs/dbraw/zinc/51/03/49/808510349.db2.gz WOKNYEKUHFORKN-IYXRBSQSSA-N 1 3 281.469 3.447 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccc(CC)cc1 ZINC001173236611 808546276 /nfs/dbraw/zinc/54/62/76/808546276.db2.gz AYWPJXYRIRZZPK-HNNXBMFYSA-N 1 3 262.441 3.241 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccc(CC)cc1 ZINC001173236611 808546282 /nfs/dbraw/zinc/54/62/82/808546282.db2.gz AYWPJXYRIRZZPK-HNNXBMFYSA-N 1 3 262.441 3.241 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198732 808920946 /nfs/dbraw/zinc/92/09/46/808920946.db2.gz CSPBZYMYGLUCGI-IBGZPJMESA-N 1 3 284.447 3.093 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198732 808920954 /nfs/dbraw/zinc/92/09/54/808920954.db2.gz CSPBZYMYGLUCGI-IBGZPJMESA-N 1 3 284.447 3.093 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3occc3c1)C2 ZINC001275660354 808955757 /nfs/dbraw/zinc/95/57/57/808955757.db2.gz NPTIRZHRFRASLM-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3occc3c1)C2 ZINC001275660354 808955765 /nfs/dbraw/zinc/95/57/65/808955765.db2.gz NPTIRZHRFRASLM-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc(C)c3)(C1)CCC2 ZINC001275822251 808967884 /nfs/dbraw/zinc/96/78/84/808967884.db2.gz CARMFOINWWMAGE-DLBZAZTESA-N 1 3 258.409 3.149 20 0 CGADHO C[N@@H+]1CCC2(C1)CCN(Cc1c[nH]c3ccccc13)CC2 ZINC001275865656 808972670 /nfs/dbraw/zinc/97/26/70/808972670.db2.gz BFSHABANVITMKA-UHFFFAOYSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CCC2(C1)CCN(Cc1c[nH]c3ccccc13)CC2 ZINC001275865656 808972674 /nfs/dbraw/zinc/97/26/74/808972674.db2.gz BFSHABANVITMKA-UHFFFAOYSA-N 1 3 283.419 3.086 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccnc4ccccc34)(C1)CCC2 ZINC001275890443 808973810 /nfs/dbraw/zinc/97/38/10/808973810.db2.gz DYLMZJPCYJZLIB-RBUKOAKNSA-N 1 3 295.430 3.389 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cc(C)cc(C)c3)(C1)CCC2 ZINC001276171467 808992080 /nfs/dbraw/zinc/99/20/80/808992080.db2.gz PPIJJRZBSPXQAU-ZWKOTPCHSA-N 1 3 272.436 3.458 20 0 CGADHO Cc1c[nH+]ccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174393155 808993116 /nfs/dbraw/zinc/99/31/16/808993116.db2.gz SBVUWLPCJAEVBP-UHFFFAOYSA-N 1 3 279.387 3.014 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccsc3Cl)C[C@H]2CC1 ZINC001276845631 809037754 /nfs/dbraw/zinc/03/77/54/809037754.db2.gz DUNBVXORKUNAGZ-TXEJJXNPSA-N 1 3 284.856 3.175 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccsc3Cl)C[C@H]2CC1 ZINC001276845631 809037762 /nfs/dbraw/zinc/03/77/62/809037762.db2.gz DUNBVXORKUNAGZ-TXEJJXNPSA-N 1 3 284.856 3.175 20 0 CGADHO Cc1cnccc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001174537456 809069292 /nfs/dbraw/zinc/06/92/92/809069292.db2.gz GBQGFKKOCSUXNF-UHFFFAOYSA-N 1 3 281.403 3.365 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001178620680 809880212 /nfs/dbraw/zinc/88/02/12/809880212.db2.gz RGNNHOLOQACRIV-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO CCSc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1 ZINC001179815165 809947138 /nfs/dbraw/zinc/94/71/38/809947138.db2.gz DZNYSYABVBVZKI-DJIMGWMZSA-N 1 3 290.476 3.228 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906265 809957145 /nfs/dbraw/zinc/95/71/45/809957145.db2.gz WHGSBDPGWINSIR-BEFAXECRSA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906265 809957151 /nfs/dbraw/zinc/95/71/51/809957151.db2.gz WHGSBDPGWINSIR-BEFAXECRSA-N 1 3 286.463 3.337 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H](C)N(C)C ZINC001183103330 810137420 /nfs/dbraw/zinc/13/74/20/810137420.db2.gz JFUHABJRSYPYLE-RYUDHWBXSA-N 1 3 286.822 3.340 20 0 CGADHO CCC1(CC)[C@H](OC)C[C@H]1N(C)CCC[NH+]1CCCCC1 ZINC001191743208 810735611 /nfs/dbraw/zinc/73/56/11/810735611.db2.gz RBGBHLVZKJGOOW-IAGOWNOFSA-N 1 3 296.499 3.388 20 0 CGADHO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201515480 811878488 /nfs/dbraw/zinc/87/84/88/811878488.db2.gz NJWGTHJBQICVAX-PMPSAXMXSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@@H](C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201515480 811878495 /nfs/dbraw/zinc/87/84/95/811878495.db2.gz NJWGTHJBQICVAX-PMPSAXMXSA-N 1 3 252.446 3.371 20 0 CGADHO CCCCCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001201755979 811960226 /nfs/dbraw/zinc/96/02/26/811960226.db2.gz DYGRNBMSJFZQIN-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO Cc1ccccc1CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001202939463 812204886 /nfs/dbraw/zinc/20/48/86/812204886.db2.gz QGOZUIIXZVXGHF-UXHICEINSA-N 1 3 294.442 3.430 20 0 CGADHO Cc1ccccc1CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001202939463 812204889 /nfs/dbraw/zinc/20/48/89/812204889.db2.gz QGOZUIIXZVXGHF-UXHICEINSA-N 1 3 294.442 3.430 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC001204591569 812682302 /nfs/dbraw/zinc/68/23/02/812682302.db2.gz GSJNSNBONAHGQN-GVDBMIGSSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC001204591569 812682309 /nfs/dbraw/zinc/68/23/09/812682309.db2.gz GSJNSNBONAHGQN-GVDBMIGSSA-N 1 3 266.473 3.476 20 0 CGADHO COc1ccc(-c2ccc(C[NH+](C)C)cc2)cc1CN(C)C ZINC001204642413 812698667 /nfs/dbraw/zinc/69/86/67/812698667.db2.gz SELIAZUTTXTASZ-UHFFFAOYSA-N 1 3 298.430 3.485 20 0 CGADHO CSc1ccc(Cl)cc1CN1CCC(C[NH3+])CC1 ZINC001205058381 812841836 /nfs/dbraw/zinc/84/18/36/812841836.db2.gz KNIACAZWSDRPII-UHFFFAOYSA-N 1 3 284.856 3.233 20 0 CGADHO [NH3+][C@@H]1CCCN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205088355 812855953 /nfs/dbraw/zinc/85/59/53/812855953.db2.gz OLWXLIPNGZFROB-IMJJTQAJSA-N 1 3 278.827 3.257 20 0 CGADHO COc1ccc2cc(CN3CCC[C@@H]([NH3+])CC3)ccc2c1 ZINC001205093847 812859303 /nfs/dbraw/zinc/85/93/03/812859303.db2.gz GLZMXEWBMILDNQ-QGZVFWFLSA-N 1 3 284.403 3.162 20 0 CGADHO CCc1cccc2c(CN3CCC[C@@H]([NH3+])CC3)c[nH]c21 ZINC001205101450 812865323 /nfs/dbraw/zinc/86/53/23/812865323.db2.gz FJWJFHKEADZOLG-OAHLLOKOSA-N 1 3 271.408 3.044 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc(F)c3ccccc23)CC1 ZINC001205101504 812865479 /nfs/dbraw/zinc/86/54/79/812865479.db2.gz HJHMPLRRJGKBLU-CQSZACIVSA-N 1 3 272.367 3.292 20 0 CGADHO CN(C)c1ccc2cc(CN3CCC[C@@H]([NH3+])CC3)ccc2c1 ZINC001205110552 812870466 /nfs/dbraw/zinc/87/04/66/812870466.db2.gz VUMKZJQXXDCKMX-GOSISDBHSA-N 1 3 297.446 3.219 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205110263 812871196 /nfs/dbraw/zinc/87/11/96/812871196.db2.gz QJHARRSDKLYRPT-KRWDZBQOSA-N 1 3 281.403 3.062 20 0 CGADHO C[C@]1([NH3+])CCCN(CCCc2ccccc2Cl)CC1 ZINC001205257422 812918520 /nfs/dbraw/zinc/91/85/20/812918520.db2.gz VIUJETIPHNXFEA-INIZCTEOSA-N 1 3 280.843 3.476 20 0 CGADHO C[C@H]1CC[N@H+](CCCCCc2ccccc2)C[C@@H]1CN ZINC001205295543 812935380 /nfs/dbraw/zinc/93/53/80/812935380.db2.gz ABERXPFSGWVHSB-WMZOPIPTSA-N 1 3 274.452 3.316 20 0 CGADHO C[C@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@@H]1CN ZINC001205295543 812935385 /nfs/dbraw/zinc/93/53/85/812935385.db2.gz ABERXPFSGWVHSB-WMZOPIPTSA-N 1 3 274.452 3.316 20 0 CGADHO CC/C=C\CCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001205296826 812937957 /nfs/dbraw/zinc/93/79/57/812937957.db2.gz ULPMXWSYRVXXCY-KSLSASGISA-N 1 3 252.446 3.430 20 0 CGADHO CC/C=C\CCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001205296826 812937962 /nfs/dbraw/zinc/93/79/62/812937962.db2.gz ULPMXWSYRVXXCY-KSLSASGISA-N 1 3 252.446 3.430 20 0 CGADHO C[C@H]1CCN(Cc2ccc(-c3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC001205303271 812940873 /nfs/dbraw/zinc/94/08/73/812940873.db2.gz BTUNNJLUWKXUNJ-KXBFYZLASA-N 1 3 295.430 3.165 20 0 CGADHO CCCc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205303362 812941040 /nfs/dbraw/zinc/94/10/40/812941040.db2.gz CWUKOFBNJIQWED-QWHCGFSZSA-N 1 3 266.454 3.117 20 0 CGADHO CCCCc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205304316 812942523 /nfs/dbraw/zinc/94/25/23/812942523.db2.gz NSOLHRHVJWFZSR-CRAIPNDOSA-N 1 3 274.452 3.446 20 0 CGADHO COc1cc(C)c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c1C ZINC001205305010 812944316 /nfs/dbraw/zinc/94/43/16/812944316.db2.gz QMWBQQJKSDFAQB-LRDDRELGSA-N 1 3 290.451 3.037 20 0 CGADHO C[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC001205639152 813037336 /nfs/dbraw/zinc/03/73/36/813037336.db2.gz WNMRNQPRIOHENN-GDBMZVCRSA-N 1 3 299.418 3.148 20 0 CGADHO CC(C)COc1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205901760 813124613 /nfs/dbraw/zinc/12/46/13/813124613.db2.gz GAZRHDWGWMUIPS-NVXWUHKLSA-N 1 3 290.451 3.281 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001205902804 813124925 /nfs/dbraw/zinc/12/49/25/813124925.db2.gz LURBVIZIIAUKPP-JONQDZQNSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001205902804 813124929 /nfs/dbraw/zinc/12/49/29/813124929.db2.gz LURBVIZIIAUKPP-JONQDZQNSA-N 1 3 250.430 3.038 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923035 813135452 /nfs/dbraw/zinc/13/54/52/813135452.db2.gz GYDFSWVJZRQTHX-HOTGVXAUSA-N 1 3 290.451 3.341 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205996345 813158283 /nfs/dbraw/zinc/15/82/83/813158283.db2.gz WHRWMKBWGLVVNB-QWHCGFSZSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1CN(Cc2csc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206014009 813166325 /nfs/dbraw/zinc/16/63/25/813166325.db2.gz UZVPJGRTDVNHGL-CMPLNLGQSA-N 1 3 272.845 3.208 20 0 CGADHO CC(C)c1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163749 813221025 /nfs/dbraw/zinc/22/10/25/813221025.db2.gz FGOCMOBQRQADNX-HOTGVXAUSA-N 1 3 264.388 3.071 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1CCNC[C@H](C)C1 ZINC001206269544 813266422 /nfs/dbraw/zinc/26/64/22/813266422.db2.gz QJVSPVGNIBLVRL-LBPRGKRZSA-N 1 3 274.433 3.251 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1CCNC[C@H](C)C1 ZINC001206269544 813266426 /nfs/dbraw/zinc/26/64/26/813266426.db2.gz QJVSPVGNIBLVRL-LBPRGKRZSA-N 1 3 274.433 3.251 20 0 CGADHO COc1cc(Cl)ccc1CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206318697 813287826 /nfs/dbraw/zinc/28/78/26/813287826.db2.gz STUHXSOURFUCGV-INIZCTEOSA-N 1 3 296.842 3.300 20 0 CGADHO CCOc1cccc(CN2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206550029 813349996 /nfs/dbraw/zinc/34/99/96/813349996.db2.gz TZMVONMPYQFQML-KRWDZBQOSA-N 1 3 276.424 3.036 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2cc3cccnc3s2)C1 ZINC001206563264 813354995 /nfs/dbraw/zinc/35/49/95/813354995.db2.gz AQUNVIJHEUFZAQ-INIZCTEOSA-N 1 3 289.448 3.247 20 0 CGADHO COc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)ccc1C ZINC001206588515 813365702 /nfs/dbraw/zinc/36/57/02/813365702.db2.gz AETXFHVSEDYNCC-KRWDZBQOSA-N 1 3 290.451 3.356 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(F)c3ccoc32)C1 ZINC001206641234 813383096 /nfs/dbraw/zinc/38/30/96/813383096.db2.gz USVLMWZVLSWVNL-LBPRGKRZSA-N 1 3 276.355 3.133 20 0 CGADHO CCn1ccc2ccc(CN3C[C@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206768552 813429994 /nfs/dbraw/zinc/42/99/94/813429994.db2.gz KJBWQZALAFRLAT-ZBFHGGJFSA-N 1 3 285.435 3.220 20 0 CGADHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC001206771034 813432581 /nfs/dbraw/zinc/43/25/81/813432581.db2.gz VTARVSHIAUQQDK-QWHCGFSZSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)N(C)C ZINC001206827233 813447278 /nfs/dbraw/zinc/44/72/78/813447278.db2.gz KPOCIKXJDVRDAY-KBAYOESNSA-N 1 3 274.452 3.427 20 0 CGADHO C[N@H+](C[C@H]1CCCOC1)C1CCN(C2CCCCC2)CC1 ZINC001207470380 813571314 /nfs/dbraw/zinc/57/13/14/813571314.db2.gz UTEAGEUORRLFSK-MRXNPFEDSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@@H+](C[C@H]1CCCOC1)C1CCN(C2CCCCC2)CC1 ZINC001207470380 813571318 /nfs/dbraw/zinc/57/13/18/813571318.db2.gz UTEAGEUORRLFSK-MRXNPFEDSA-N 1 3 294.483 3.142 20 0 CGADHO C[NH+]1CCC(CCN2CCc3c(Cl)cccc3C2)CC1 ZINC001207486540 813572598 /nfs/dbraw/zinc/57/25/98/813572598.db2.gz JXIIYXYUWQOFGC-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CC[NH+]1C[C@H]2CN(CCCc3cccc(Cl)c3)C[C@@H]2C1 ZINC001207593900 813603983 /nfs/dbraw/zinc/60/39/83/813603983.db2.gz OJTIFOAPDKPEOO-HOTGVXAUSA-N 1 3 292.854 3.156 20 0 CGADHO C[NH+]1CCC(C)(CN2CCc3ccc(Cl)cc3C2)CC1 ZINC001208107829 813694745 /nfs/dbraw/zinc/69/47/45/813694745.db2.gz KXOUQXJKAGBBKF-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO C[NH+]1CCC(C)(CN2CCc3c(Cl)cccc3C2)CC1 ZINC001208110088 813695098 /nfs/dbraw/zinc/69/50/98/813695098.db2.gz WQGWKOROJQYZGD-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CN(C)CC1(C[N@@H+]2CCc3ccsc3C2)CCCC1 ZINC001208191008 813737688 /nfs/dbraw/zinc/73/76/88/813737688.db2.gz JNGVVFLNSZRTJM-UHFFFAOYSA-N 1 3 278.465 3.228 20 0 CGADHO CN(C)CC1(C[N@H+]2CCc3ccsc3C2)CCCC1 ZINC001208191008 813737692 /nfs/dbraw/zinc/73/76/92/813737692.db2.gz JNGVVFLNSZRTJM-UHFFFAOYSA-N 1 3 278.465 3.228 20 0 CGADHO c1ccc(CN2CC[C@@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC001208940161 813904724 /nfs/dbraw/zinc/90/47/24/813904724.db2.gz ANXSWNPSTRSACS-SFHVURJKSA-N 1 3 284.447 3.385 20 0 CGADHO c1ccc(C[N@H+]2CC[C@@H](CN3CCC4(CC4)CC3)C2)cc1 ZINC001208940161 813904730 /nfs/dbraw/zinc/90/47/30/813904730.db2.gz ANXSWNPSTRSACS-SFHVURJKSA-N 1 3 284.447 3.385 20 0 CGADHO c1ccc(C[N@@H+]2CC[C@@H](CN3CCC4(CC4)CC3)C2)cc1 ZINC001208940161 813904733 /nfs/dbraw/zinc/90/47/33/813904733.db2.gz ANXSWNPSTRSACS-SFHVURJKSA-N 1 3 284.447 3.385 20 0 CGADHO CSCCN(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208944990 813906211 /nfs/dbraw/zinc/90/62/11/813906211.db2.gz QKFYVVGOOIRQBZ-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO CSCCN(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208944990 813906217 /nfs/dbraw/zinc/90/62/17/813906217.db2.gz QKFYVVGOOIRQBZ-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC001208942512 813907212 /nfs/dbraw/zinc/90/72/12/813907212.db2.gz JDYYYUNTIOBZFE-GBESFXJTSA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CCC[C@H](C[N@H+]3CCC[C@H]4C[C@H]43)C2)cc1 ZINC001208942512 813907217 /nfs/dbraw/zinc/90/72/17/813907217.db2.gz JDYYYUNTIOBZFE-GBESFXJTSA-N 1 3 284.447 3.383 20 0 CGADHO CN(C)CCC[N@H+](C)CCc1ccc(Cl)cc1Cl ZINC001209078355 813927772 /nfs/dbraw/zinc/92/77/72/813927772.db2.gz HYFHTKJWLPAGJS-UHFFFAOYSA-N 1 3 289.250 3.419 20 0 CGADHO CN(C)CCC[N@@H+](C)CCc1ccc(Cl)cc1Cl ZINC001209078355 813927777 /nfs/dbraw/zinc/92/77/77/813927777.db2.gz HYFHTKJWLPAGJS-UHFFFAOYSA-N 1 3 289.250 3.419 20 0 CGADHO CCOC(C)(C)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209075984 813927971 /nfs/dbraw/zinc/92/79/71/813927971.db2.gz ADWQBQKZNWKWTK-JKSUJKDBSA-N 1 3 282.472 3.140 20 0 CGADHO CCOC(C)(C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209075984 813927976 /nfs/dbraw/zinc/92/79/76/813927976.db2.gz ADWQBQKZNWKWTK-JKSUJKDBSA-N 1 3 282.472 3.140 20 0 CGADHO C[C@@H]1C[C@@H](Oc2ccc3ccccc3c2CN(C)C)C[NH2+]1 ZINC001218039608 816069871 /nfs/dbraw/zinc/06/98/71/816069871.db2.gz PJANBGJSRJVOPU-UKRRQHHQSA-N 1 3 284.403 3.031 20 0 CGADHO Cn1cccc1CN1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222109295 816349105 /nfs/dbraw/zinc/34/91/05/816349105.db2.gz DPVFNFIKBNSXFW-UHFFFAOYSA-N 1 3 289.467 3.161 20 0 CGADHO Nc1ccccc1CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173549 816369682 /nfs/dbraw/zinc/36/96/82/816369682.db2.gz UXCRETREXMRFFQ-GOSISDBHSA-N 1 3 287.451 3.015 20 0 CGADHO Cc1cc(CN2CCC3(CC([NH3+])C3)CC2)ccc1Cl ZINC001222211398 816376142 /nfs/dbraw/zinc/37/61/42/816376142.db2.gz JMAFOQBXYSWARY-UHFFFAOYSA-N 1 3 278.827 3.352 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@](C)(CF)C2)c1 ZINC001232144314 818263458 /nfs/dbraw/zinc/26/34/58/818263458.db2.gz HXYNRHDCWCVQGS-MRXNPFEDSA-N 1 3 282.378 3.069 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C(C)(C)C)c1 ZINC001232148172 818263766 /nfs/dbraw/zinc/26/37/66/818263766.db2.gz XHWMDJIPSBUBLO-UHFFFAOYSA-N 1 3 252.377 3.118 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C(C)(C)C)c1 ZINC001232148172 818263771 /nfs/dbraw/zinc/26/37/71/818263771.db2.gz XHWMDJIPSBUBLO-UHFFFAOYSA-N 1 3 252.377 3.118 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232145921 818264369 /nfs/dbraw/zinc/26/43/69/818264369.db2.gz FJJQKPMPLLTLSP-KBPBESRZSA-N 1 3 278.415 3.365 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046305 818990440 /nfs/dbraw/zinc/99/04/40/818990440.db2.gz PETOCFPYALFPPM-IBGZPJMESA-N 1 3 297.446 3.286 20 0 CGADHO c1ccn(-c2ccc(C[N@@H+]3CCCC34CCNCC4)cc2)c1 ZINC001235143553 819014752 /nfs/dbraw/zinc/01/47/52/819014752.db2.gz FKZTZTIWGYZOLB-UHFFFAOYSA-N 1 3 295.430 3.195 20 0 CGADHO c1ccn(-c2ccc(C[N@H+]3CCCC34CCNCC4)cc2)c1 ZINC001235143553 819014758 /nfs/dbraw/zinc/01/47/58/819014758.db2.gz FKZTZTIWGYZOLB-UHFFFAOYSA-N 1 3 295.430 3.195 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCCC12CC[NH2+]CC2 ZINC001235143536 819014977 /nfs/dbraw/zinc/01/49/77/819014977.db2.gz DXLGQEGIWDLBAX-UHFFFAOYSA-N 1 3 276.399 3.161 20 0 CGADHO Cc1cc(F)cc(C)c1C[N@@H+]1CCCC12CCNCC2 ZINC001235143536 819014981 /nfs/dbraw/zinc/01/49/81/819014981.db2.gz DXLGQEGIWDLBAX-UHFFFAOYSA-N 1 3 276.399 3.161 20 0 CGADHO Cc1cc(F)cc(C)c1C[N@H+]1CCCC12CCNCC2 ZINC001235143536 819014987 /nfs/dbraw/zinc/01/49/87/819014987.db2.gz DXLGQEGIWDLBAX-UHFFFAOYSA-N 1 3 276.399 3.161 20 0 CGADHO CC(C)(C)c1c[nH]c(CN2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001235133112 819015228 /nfs/dbraw/zinc/01/52/28/819015228.db2.gz NAERAGGYWRZCLT-UHFFFAOYSA-N 1 3 289.467 3.278 20 0 CGADHO Cc1cccc2[nH]cc(CN3CCC4(CC[NH2+]CC4)CC3)c21 ZINC001235133686 819015381 /nfs/dbraw/zinc/01/53/81/819015381.db2.gz UQSOGJJEKOEIAJ-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235183594 819028022 /nfs/dbraw/zinc/02/80/22/819028022.db2.gz BWRJKQTUQXZFIJ-WBVHZDCISA-N 1 3 280.415 3.190 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@H+](CC2CCCC2)CC3)cc1 ZINC001235361356 819077953 /nfs/dbraw/zinc/07/79/53/819077953.db2.gz FHBGJTXMBFGWBG-VQTJNVASSA-N 1 3 298.474 3.430 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@@H+](CC2CCCC2)CC3)cc1 ZINC001235361356 819077960 /nfs/dbraw/zinc/07/79/60/819077960.db2.gz FHBGJTXMBFGWBG-VQTJNVASSA-N 1 3 298.474 3.430 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235406892 819087624 /nfs/dbraw/zinc/08/76/24/819087624.db2.gz RITROZPYWVXYRQ-MSOLQXFVSA-N 1 3 288.410 3.088 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406892 819087631 /nfs/dbraw/zinc/08/76/31/819087631.db2.gz RITROZPYWVXYRQ-MSOLQXFVSA-N 1 3 288.410 3.088 20 0 CGADHO Cc1sc2ccccc2c1CN1CCC[C@H](C[NH3+])C1 ZINC001235673771 819135318 /nfs/dbraw/zinc/13/53/18/819135318.db2.gz DFKIPSBIBOLDFD-CYBMUJFWSA-N 1 3 274.433 3.380 20 0 CGADHO [NH3+]C[C@@H]1CCCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235674271 819135894 /nfs/dbraw/zinc/13/58/94/819135894.db2.gz DOXKGWQGXDPTOT-FQEVSTJZSA-N 1 3 294.442 3.448 20 0 CGADHO CCCCCN1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC001235690095 819141972 /nfs/dbraw/zinc/14/19/72/819141972.db2.gz FNHHJOVIGVSCER-UHFFFAOYSA-N 1 3 295.515 3.107 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1CCCC2(C[NH2+]C2)C1 ZINC001235710824 819147067 /nfs/dbraw/zinc/14/70/67/819147067.db2.gz GQWFGYSWXZIIFR-INIZCTEOSA-N 1 3 296.499 3.293 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCCC2(CNC2)C1 ZINC001235710824 819147069 /nfs/dbraw/zinc/14/70/69/819147069.db2.gz GQWFGYSWXZIIFR-INIZCTEOSA-N 1 3 296.499 3.293 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCCC2(CNC2)C1 ZINC001235710824 819147073 /nfs/dbraw/zinc/14/70/73/819147073.db2.gz GQWFGYSWXZIIFR-INIZCTEOSA-N 1 3 296.499 3.293 20 0 CGADHO Cc1c(F)ccc(CN(C)CCC2CC[NH2+]CC2)c1F ZINC001235716440 819149781 /nfs/dbraw/zinc/14/97/81/819149781.db2.gz BZEOTGSIJVJFGG-UHFFFAOYSA-N 1 3 282.378 3.095 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894106 819203671 /nfs/dbraw/zinc/20/36/71/819203671.db2.gz ZXPWBSNXKNNTKW-AEFFLSMTSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894106 819203676 /nfs/dbraw/zinc/20/36/76/819203676.db2.gz ZXPWBSNXKNNTKW-AEFFLSMTSA-N 1 3 290.451 3.185 20 0 CGADHO COc1cc2ccccc2cc1CN1CCC[C@H]1CC[NH3+] ZINC001235925963 819224658 /nfs/dbraw/zinc/22/46/58/819224658.db2.gz UCLXSZFMTGZXAJ-KRWDZBQOSA-N 1 3 284.403 3.162 20 0 CGADHO CC[C@H](N)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948207 819237376 /nfs/dbraw/zinc/23/73/76/819237376.db2.gz LPZGYANIRCDTKR-IBGZPJMESA-N 1 3 282.431 3.469 20 0 CGADHO CC[C@H](N)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948207 819237382 /nfs/dbraw/zinc/23/73/82/819237382.db2.gz LPZGYANIRCDTKR-IBGZPJMESA-N 1 3 282.431 3.469 20 0 CGADHO c1ccc(CCN(Cc2ccccc2)C[C@H]2CC[NH2+]C2)cc1 ZINC001235948620 819238333 /nfs/dbraw/zinc/23/83/33/819238333.db2.gz RGCANXFTOFUGRK-FQEVSTJZSA-N 1 3 294.442 3.341 20 0 CGADHO C[NH2+]C[C@H]1CCN(Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001236068270 819298272 /nfs/dbraw/zinc/29/82/72/819298272.db2.gz XLQJRZOZEMBJDJ-QGZVFWFLSA-N 1 3 274.452 3.270 20 0 CGADHO C[C@H]1Cc2ccccc2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236072283 819300562 /nfs/dbraw/zinc/30/05/62/819300562.db2.gz QZJLUEOQSWOHTA-HNNXBMFYSA-N 1 3 292.426 3.279 20 0 CGADHO C[C@H]1Cc2ccccc2CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236072971 819301725 /nfs/dbraw/zinc/30/17/25/819301725.db2.gz ZBJCNDXMGXKBNP-ZDUSSCGKSA-N 1 3 298.455 3.341 20 0 CGADHO C[C@@H]1C[N@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@@H]1N ZINC001236093003 819312469 /nfs/dbraw/zinc/31/24/69/819312469.db2.gz CTQWADSDBXIUBC-RISCZKNCSA-N 1 3 298.883 3.490 20 0 CGADHO C[C@@H]1C[N@@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@@H]1N ZINC001236093003 819312475 /nfs/dbraw/zinc/31/24/75/819312475.db2.gz CTQWADSDBXIUBC-RISCZKNCSA-N 1 3 298.883 3.490 20 0 CGADHO CCN(Cc1cccc(Cl)c1)CC1(F)CC[NH2+]CC1 ZINC001236195518 819364414 /nfs/dbraw/zinc/36/44/14/819364414.db2.gz UKZCPCHZGBOZSE-UHFFFAOYSA-N 1 3 284.806 3.254 20 0 CGADHO CC[C@H](N)C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236194236 819364442 /nfs/dbraw/zinc/36/44/42/819364442.db2.gz UVKFYQJHNRNJEL-BLLLJJGKSA-N 1 3 257.381 3.042 20 0 CGADHO CC[C@H](N)C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236194236 819364450 /nfs/dbraw/zinc/36/44/50/819364450.db2.gz UVKFYQJHNRNJEL-BLLLJJGKSA-N 1 3 257.381 3.042 20 0 CGADHO Cc1ccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c2c1 ZINC001236213857 819376418 /nfs/dbraw/zinc/37/64/18/819376418.db2.gz PCFANOCGSOWACN-WBVHZDCISA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@H]3N)c2c1 ZINC001236213857 819376425 /nfs/dbraw/zinc/37/64/25/819376425.db2.gz PCFANOCGSOWACN-WBVHZDCISA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c2c1 ZINC001236213855 819376862 /nfs/dbraw/zinc/37/68/62/819376862.db2.gz PCFANOCGSOWACN-RDJZCZTQSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c2c1 ZINC001236213855 819376867 /nfs/dbraw/zinc/37/68/67/819376867.db2.gz PCFANOCGSOWACN-RDJZCZTQSA-N 1 3 271.408 3.178 20 0 CGADHO CCn1ccc2ccc(C[N@H+](C)[C@H]3CCCC[C@H]3N)cc21 ZINC001236218672 819383987 /nfs/dbraw/zinc/38/39/87/819383987.db2.gz SUEQLBIPWGEQLP-SJORKVTESA-N 1 3 285.435 3.363 20 0 CGADHO CCn1ccc2ccc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)cc21 ZINC001236218672 819383992 /nfs/dbraw/zinc/38/39/92/819383992.db2.gz SUEQLBIPWGEQLP-SJORKVTESA-N 1 3 285.435 3.363 20 0 CGADHO CC1=CC[C@H](CC[NH+]2CCCNCCC2)C1(C)C ZINC001236240327 819399797 /nfs/dbraw/zinc/39/97/97/819399797.db2.gz OOSHRWXOGAAOOQ-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CCCC[C@@H](CC)C[N@H+](CCOCC)C1CCNCC1 ZINC001236461441 819486691 /nfs/dbraw/zinc/48/66/91/819486691.db2.gz XCNVMBNQBIKUPB-MRXNPFEDSA-N 1 3 284.488 3.293 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+](CCOCC)C1CCNCC1 ZINC001236461441 819486695 /nfs/dbraw/zinc/48/66/95/819486695.db2.gz XCNVMBNQBIKUPB-MRXNPFEDSA-N 1 3 284.488 3.293 20 0 CGADHO Cc1ccc2c(c1)CCN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC001236604223 819550556 /nfs/dbraw/zinc/55/05/56/819550556.db2.gz JMTMBCDCUUHLMD-UHFFFAOYSA-N 1 3 292.426 3.199 20 0 CGADHO CCCN(Cc1c[nH]c2c1cccc2C)C[C@@H]1CC[NH2+]C1 ZINC001236833439 819613816 /nfs/dbraw/zinc/61/38/16/819613816.db2.gz BHFYZCADSJSYJH-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1ccc2nc(C)ccc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236833457 819613871 /nfs/dbraw/zinc/61/38/71/819613871.db2.gz BNOZXKDOEFYACB-QGZVFWFLSA-N 1 3 297.446 3.365 20 0 CGADHO CCCN(Cc1cc(C)sc1C)C[C@@H]1CC[NH2+]C1 ZINC001236835636 819614671 /nfs/dbraw/zinc/61/46/71/819614671.db2.gz OFOIUPVNLGBHKR-CQSZACIVSA-N 1 3 266.454 3.186 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107025 819668165 /nfs/dbraw/zinc/66/81/65/819668165.db2.gz KVHASDLHKXJHQU-OALUTQOASA-N 1 3 284.447 3.338 20 0 CGADHO CCc1cccc(C)c1C[NH+]1CCC(N(C)C)CC1 ZINC001237336538 819732160 /nfs/dbraw/zinc/73/21/60/819732160.db2.gz XDTFACHUXSONJB-UHFFFAOYSA-N 1 3 260.425 3.083 20 0 CGADHO Cc1cc(C)c(Cl)c(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001237700954 819810642 /nfs/dbraw/zinc/81/06/42/819810642.db2.gz GYNHRUCMSZBLOH-UHFFFAOYSA-N 1 3 292.854 3.484 20 0 CGADHO Cc1cc(C)c(Cl)c(CN2CCC3(C[NH+](C)C3)CC2)c1 ZINC001237700954 819810651 /nfs/dbraw/zinc/81/06/51/819810651.db2.gz GYNHRUCMSZBLOH-UHFFFAOYSA-N 1 3 292.854 3.484 20 0 CGADHO Fc1cc(C2=CCC[NH2+]CC2)ccc1CN1CCCC1 ZINC001238948708 820164760 /nfs/dbraw/zinc/16/47/60/820164760.db2.gz CLJVUOARWXCYFI-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO CN(C)Cc1ccnc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240051491 820803646 /nfs/dbraw/zinc/80/36/46/820803646.db2.gz RFBMABIHUPBRGL-UHFFFAOYSA-N 1 3 295.430 3.406 20 0 CGADHO NCc1cc(-c2cccc(C[NH+]3CCCCC3)c2)ccn1 ZINC001240174449 820868692 /nfs/dbraw/zinc/86/86/92/820868692.db2.gz OYQRRADXNNUBCZ-UHFFFAOYSA-N 1 3 281.403 3.193 20 0 CGADHO CCCc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001241689358 822071353 /nfs/dbraw/zinc/07/13/53/822071353.db2.gz UMYONAXQLAHCRL-UHFFFAOYSA-N 1 3 281.403 3.111 20 0 CGADHO Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H](N)C2)cc(C)c1N ZINC001241886429 822196255 /nfs/dbraw/zinc/19/62/55/822196255.db2.gz WWDUUCHMVLZHBF-KRWDZBQOSA-N 1 3 295.430 3.086 20 0 CGADHO Cc1cc(-c2ccccc2C[N@H+]2CC[C@H](N)C2)cc(C)c1N ZINC001241886429 822196259 /nfs/dbraw/zinc/19/62/59/822196259.db2.gz WWDUUCHMVLZHBF-KRWDZBQOSA-N 1 3 295.430 3.086 20 0 CGADHO COCCCC1(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCC1 ZINC001335441559 936146417 /nfs/dbraw/zinc/14/64/17/936146417.db2.gz PPGQMTDIYGMLHE-KRWDZBQOSA-N 1 3 296.499 3.293 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](c1ccc(C)cc1)C1CCC1 ZINC001345482973 936812523 /nfs/dbraw/zinc/81/25/23/936812523.db2.gz PQJSJUAOPORWRB-PBHICJAKSA-N 1 3 260.425 3.424 20 0 CGADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC001350637010 936997531 /nfs/dbraw/zinc/99/75/31/936997531.db2.gz VVEYHRKAHJKACR-NUJGCVRESA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC001350637010 936997534 /nfs/dbraw/zinc/99/75/34/936997534.db2.gz VVEYHRKAHJKACR-NUJGCVRESA-N 1 3 272.436 3.254 20 0 CGADHO c1c(C[NH2+]C[C@@H]2CCc3ccccc32)sc2c1CNCC2 ZINC001352179265 937038515 /nfs/dbraw/zinc/03/85/15/937038515.db2.gz XYWIQXOZESHOKS-AWEZNQCLSA-N 1 3 298.455 3.213 20 0 CGADHO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(F)cc1 ZINC000399002612 926753371 /nfs/dbraw/zinc/75/33/71/926753371.db2.gz DREDYKAFTUXFIG-UHOFOFEASA-N 1 3 264.388 3.253 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721520045 928740771 /nfs/dbraw/zinc/74/07/71/928740771.db2.gz LVUUMVINWLPKBK-ZJIFWQFVSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001460800757 937545953 /nfs/dbraw/zinc/54/59/53/937545953.db2.gz KDABKVJVFVAPBX-JKSUJKDBSA-N 1 3 275.440 3.274 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001460800757 937545956 /nfs/dbraw/zinc/54/59/56/937545956.db2.gz KDABKVJVFVAPBX-JKSUJKDBSA-N 1 3 275.440 3.274 20 0 CGADHO CCC[C@H](C)CCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC001307979377 933028980 /nfs/dbraw/zinc/02/89/80/933028980.db2.gz YNRONIGLRPDKTF-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO CCC[C@H](C)CCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC001307979377 933028984 /nfs/dbraw/zinc/02/89/84/933028984.db2.gz YNRONIGLRPDKTF-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C/C=C\c2ccccc2OC)C1 ZINC001308231787 933077126 /nfs/dbraw/zinc/07/71/26/933077126.db2.gz MIHIATVOOLRGPG-CXSQMQJXSA-N 1 3 288.435 3.030 20 0 CGADHO CCCC1CCC(C[NH2+]C[C@@H](C)CN(C)C)CC1 ZINC001308419497 933109391 /nfs/dbraw/zinc/10/93/91/933109391.db2.gz VUVUGVUSHLWWJI-QQFBHYJXSA-N 1 3 254.462 3.380 20 0 CGADHO CNc1ccc(C)cc1C[N@@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001308983201 933221320 /nfs/dbraw/zinc/22/13/20/933221320.db2.gz BBMYWUPCVAYIRP-UHFFFAOYSA-N 1 3 289.467 3.389 20 0 CGADHO CNc1ccc(C)cc1C[N@H+]1CCC(C)(C)NC(C)(C)C1 ZINC001308983201 933221325 /nfs/dbraw/zinc/22/13/25/933221325.db2.gz BBMYWUPCVAYIRP-UHFFFAOYSA-N 1 3 289.467 3.389 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC001319282198 933852152 /nfs/dbraw/zinc/85/21/52/933852152.db2.gz HNDZNQOBFLUKNV-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC001320754621 934097837 /nfs/dbraw/zinc/09/78/37/934097837.db2.gz VOUILTDRGJPKJL-MRXNPFEDSA-N 1 3 278.415 3.078 20 0 CGADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC001324444308 934504321 /nfs/dbraw/zinc/50/43/21/934504321.db2.gz XACGJQZPPBDSGH-AEFFLSMTSA-N 1 3 274.452 3.246 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H](C)CN(C)C ZINC001324787419 934567684 /nfs/dbraw/zinc/56/76/84/934567684.db2.gz FWTYGXNUWSVQAG-QWHCGFSZSA-N 1 3 268.832 3.058 20 0 CGADHO C[C@H]([NH2+]CCc1c(F)cccc1Cl)[C@H]1CCCCN1 ZINC001326459973 934981160 /nfs/dbraw/zinc/98/11/60/934981160.db2.gz YSCKNHLYQZLTIN-XHDPSFHLSA-N 1 3 284.806 3.142 20 0 CGADHO c1ccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327537789 935067305 /nfs/dbraw/zinc/06/73/05/935067305.db2.gz INECWWKDMXFOCK-YOEHRIQHSA-N 1 3 258.409 3.117 20 0 CGADHO C[C@@H](COc1ccccc1F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331516913 935387765 /nfs/dbraw/zinc/38/77/65/935387765.db2.gz AUVCFMDNZVLXBX-UONOGXRCSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@@H](COc1ccccc1F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516913 935387772 /nfs/dbraw/zinc/38/77/72/935387772.db2.gz AUVCFMDNZVLXBX-UONOGXRCSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@@H]1CCCC[C@H]1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001331565834 935394466 /nfs/dbraw/zinc/39/44/66/935394466.db2.gz PBUGXJUBTMDHRS-CVEARBPZSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cnc2ccccc2c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001332943961 935499018 /nfs/dbraw/zinc/49/90/18/935499018.db2.gz FQOAKKSVYCOHAL-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1cnc2ccccc2c1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001332943961 935499021 /nfs/dbraw/zinc/49/90/21/935499021.db2.gz FQOAKKSVYCOHAL-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)C12CCC2 ZINC001333441156 935535925 /nfs/dbraw/zinc/53/59/25/935535925.db2.gz KLELMHZWLFKHEI-HZPDHXFCSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CCCC[N@@H+]1CCCC12CCN(C)CC2 ZINC001474444739 937860151 /nfs/dbraw/zinc/86/01/51/937860151.db2.gz OYIJNHWVSSOKHW-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CCCC[N@H+]1CCCC12CCN(C)CC2 ZINC001474444739 937860153 /nfs/dbraw/zinc/86/01/53/937860153.db2.gz OYIJNHWVSSOKHW-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001549042189 938154567 /nfs/dbraw/zinc/15/45/67/938154567.db2.gz XBLBDGWJVASZCX-DDBAPUKQSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC001549545578 938157711 /nfs/dbraw/zinc/15/77/11/938157711.db2.gz GMOYXQREXOEIBO-XHSDSOJGSA-N 1 3 252.446 3.133 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1C[C@H]1C1CCC1 ZINC001550474537 938166748 /nfs/dbraw/zinc/16/67/48/938166748.db2.gz YHPPTLKQKJFMEV-VSZNYVQBSA-N 1 3 276.468 3.181 20 0 CGADHO COc1ccccc1/C=C\C[NH2+]CCCN1CCCCC1 ZINC001560252048 938249451 /nfs/dbraw/zinc/24/94/51/938249451.db2.gz KKHQBLBVZPATTP-YFHOEESVSA-N 1 3 288.435 3.174 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1 ZINC001561053362 938292418 /nfs/dbraw/zinc/29/24/18/938292418.db2.gz UXWVXSAWJUPFJK-JCHJZTRSSA-N 1 3 286.463 3.246 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001577124809 960475162 /nfs/dbraw/zinc/47/51/62/960475162.db2.gz SFTWEWIATBILNZ-MRXNPFEDSA-N 1 3 254.377 3.181 20 0 CGADHO C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795551 962320482 /nfs/dbraw/zinc/32/04/82/962320482.db2.gz NJOAWZTYEKFTJJ-AEFFLSMTSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCCN2)C12CCC2 ZINC001575248006 962352987 /nfs/dbraw/zinc/35/29/87/962352987.db2.gz SKMQGUJAENEINA-HRCADAONSA-N 1 3 294.483 3.235 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC001575422439 962375197 /nfs/dbraw/zinc/37/51/97/962375197.db2.gz JDQABPYPPQIMDU-LESVLKBLSA-N 1 3 278.484 3.366 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC001575422439 962375211 /nfs/dbraw/zinc/37/52/11/962375211.db2.gz JDQABPYPPQIMDU-LESVLKBLSA-N 1 3 278.484 3.366 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC001575507546 962381463 /nfs/dbraw/zinc/38/14/63/962381463.db2.gz DZCQIUWBMJJFGH-RNIPGJKVSA-N 1 3 284.447 3.145 20 0 CGADHO C/C=C\C[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC001576915605 962503641 /nfs/dbraw/zinc/50/36/41/962503641.db2.gz XOHVVBFGMGHKIV-JGPFYOFESA-N 1 3 250.430 3.054 20 0 CGADHO C/C=C\C[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC001576915605 962503651 /nfs/dbraw/zinc/50/36/51/962503651.db2.gz XOHVVBFGMGHKIV-JGPFYOFESA-N 1 3 250.430 3.054 20 0 CGADHO CCCCO[C@@H]1C[C@@H](N(C)C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463071 962541315 /nfs/dbraw/zinc/54/13/15/962541315.db2.gz JIIBWDIDGFPDKP-JFIYKMOQSA-N 1 3 296.499 3.292 20 0 CGADHO CO[C@@](C)(C[NH2+]C[C@@H](N)CCC(C)(C)C)c1ccccc1 ZINC001578897876 962599249 /nfs/dbraw/zinc/59/92/49/962599249.db2.gz ZMOQGKGTBSCOQS-WMZOPIPTSA-N 1 3 292.467 3.291 20 0 CGADHO CO[C@H](CN1[C@H](C[NH3+])CC[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC001578909077 962600987 /nfs/dbraw/zinc/60/09/87/962600987.db2.gz PLHUVJGEDABAIK-YQFWSFKMSA-N 1 3 282.472 3.029 20 0 CGADHO NC[C@@]12C[N@H+](CCC3=CCCCC3)C[C@@H]1CCCC2 ZINC001580256906 962708245 /nfs/dbraw/zinc/70/82/45/962708245.db2.gz ZPRAQWDPWNOUCR-IRXDYDNUSA-N 1 3 262.441 3.328 20 0 CGADHO NC[C@@]12C[N@@H+](CCC3=CCCCC3)C[C@@H]1CCCC2 ZINC001580256906 962708252 /nfs/dbraw/zinc/70/82/52/962708252.db2.gz ZPRAQWDPWNOUCR-IRXDYDNUSA-N 1 3 262.441 3.328 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337991724 214348159 /nfs/dbraw/zinc/34/81/59/214348159.db2.gz WQVCONPYVWVFEL-XUWVNRHRSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337998562 214353500 /nfs/dbraw/zinc/35/35/00/214353500.db2.gz VHJPXHONXXYBJJ-HYVNUMGLSA-N 1 3 264.457 3.275 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273122739 192050060 /nfs/dbraw/zinc/05/00/60/192050060.db2.gz YIAUSRAIHPPPQL-CQSZACIVSA-N 1 3 276.424 3.139 20 0 CGADHO CCc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c2ccccc2n1 ZINC000125549847 187190514 /nfs/dbraw/zinc/19/05/14/187190514.db2.gz XNBCHUWTTQSUOB-INIZCTEOSA-N 1 3 293.414 3.248 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2F)CC1 ZINC000590786382 346876018 /nfs/dbraw/zinc/87/60/18/346876018.db2.gz UUQXDGVAGYJLIW-UHFFFAOYSA-N 1 3 278.415 3.378 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2F)CC1 ZINC000590786382 346876021 /nfs/dbraw/zinc/87/60/21/346876021.db2.gz UUQXDGVAGYJLIW-UHFFFAOYSA-N 1 3 278.415 3.378 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423476976 529453430 /nfs/dbraw/zinc/45/34/30/529453430.db2.gz SZFATZQUGLOATA-JQWIXIFHSA-N 1 3 290.329 3.016 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423481989 529569460 /nfs/dbraw/zinc/56/94/60/529569460.db2.gz XCAVIOLVYDFILJ-BXUZGUMPSA-N 1 3 288.357 3.353 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@@H]1C[C@@H]1C ZINC000414130847 529605676 /nfs/dbraw/zinc/60/56/76/529605676.db2.gz KBRKULKOFUMKPH-JONQDZQNSA-N 1 3 252.446 3.275 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)CC1(C)C ZINC000623337317 349781830 /nfs/dbraw/zinc/78/18/30/349781830.db2.gz DQVUFABFRPIUIX-AWEZNQCLSA-N 1 3 266.816 3.302 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCCN1)C1CCOCC1 ZINC000422807178 529650152 /nfs/dbraw/zinc/65/01/52/529650152.db2.gz JETQTNRFHAAHIC-UAGQMJEPSA-N 1 3 282.472 3.092 20 0 CGADHO C[NH+]1CCC(CNCc2csc(C(F)(F)F)c2)CC1 ZINC000623404329 349799572 /nfs/dbraw/zinc/79/95/72/349799572.db2.gz YAMRKHFLVNEMLA-UHFFFAOYSA-N 1 3 292.370 3.198 20 0 CGADHO CCc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000414182465 529706596 /nfs/dbraw/zinc/70/65/96/529706596.db2.gz NHIFKHVPXFXGMQ-KGLIPLIRSA-N 1 3 264.413 3.225 20 0 CGADHO CCc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000414182465 529706597 /nfs/dbraw/zinc/70/65/97/529706597.db2.gz NHIFKHVPXFXGMQ-KGLIPLIRSA-N 1 3 264.413 3.225 20 0 CGADHO CCc1ccc([C@@H](C)NCCC[C@@H]2CCC[NH2+]2)o1 ZINC000423476224 529706774 /nfs/dbraw/zinc/70/67/74/529706774.db2.gz ITDFZAIXMIJXGF-CHWSQXEVSA-N 1 3 250.386 3.025 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432820 349808942 /nfs/dbraw/zinc/80/89/42/349808942.db2.gz LNALJFCAERZONG-UKRRQHHQSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432820 349808943 /nfs/dbraw/zinc/80/89/43/349808943.db2.gz LNALJFCAERZONG-UKRRQHHQSA-N 1 3 294.414 3.055 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000623657384 349860073 /nfs/dbraw/zinc/86/00/73/349860073.db2.gz PKAKDCRKNICCFI-KXQLTZBTSA-N 1 3 294.389 3.300 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000623656368 349858274 /nfs/dbraw/zinc/85/82/74/349858274.db2.gz SSLSUKVECZEBDJ-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000423268359 529985617 /nfs/dbraw/zinc/98/56/17/529985617.db2.gz GDQPDPWNOIHXRZ-OLZOCXBDSA-N 1 3 274.383 3.485 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423269562 529998900 /nfs/dbraw/zinc/99/89/00/529998900.db2.gz HFBFEDXGASZIOV-XQQFMLRXSA-N 1 3 268.832 3.277 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423269562 529998901 /nfs/dbraw/zinc/99/89/01/529998901.db2.gz HFBFEDXGASZIOV-XQQFMLRXSA-N 1 3 268.832 3.277 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@@H](NCC[C@H]1CCC[NH2+]C1)CC2 ZINC000423274559 282965301 /nfs/dbraw/zinc/96/53/01/282965301.db2.gz MATHDUZQBWEAAC-MFKMUULPSA-N 1 3 298.352 3.071 20 0 CGADHO CC[NH+]1CCC(CNCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000044517413 345011266 /nfs/dbraw/zinc/01/12/66/345011266.db2.gz PEEMMFLXYSFOPC-CJNGLKHVSA-N 1 3 276.424 3.225 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450456861 282388893 /nfs/dbraw/zinc/38/88/93/282388893.db2.gz ZDILQGFVEXADPG-NXYGQSRBSA-N 1 3 276.468 3.230 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450456861 282388894 /nfs/dbraw/zinc/38/88/94/282388894.db2.gz ZDILQGFVEXADPG-NXYGQSRBSA-N 1 3 276.468 3.230 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)CN1CCCC1 ZINC000165307103 232261923 /nfs/dbraw/zinc/26/19/23/232261923.db2.gz UIAPADSEVIPLFU-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[C@@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000125339886 346016844 /nfs/dbraw/zinc/01/68/44/346016844.db2.gz NRWNRLUZPDFWLR-OWCLPIDISA-N 1 3 270.461 3.044 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c(Cl)c1 ZINC000235707878 346336842 /nfs/dbraw/zinc/33/68/42/346336842.db2.gz POOJGKAPPRFYDP-JSGCOSHPSA-N 1 3 266.816 3.221 20 0 CGADHO CCOC1CC(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000351722129 219187333 /nfs/dbraw/zinc/18/73/33/219187333.db2.gz VBKNOUMAEPDPLN-UERKLNTKSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000624119645 349975232 /nfs/dbraw/zinc/97/52/32/349975232.db2.gz GPYLKNAGVGEABR-DZGCQCFKSA-N 1 3 278.465 3.447 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403415311 346596774 /nfs/dbraw/zinc/59/67/74/346596774.db2.gz WKHQIIISLUCWCF-OAGGEKHMSA-N 1 3 264.457 3.133 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1 ZINC000624119707 349976658 /nfs/dbraw/zinc/97/66/58/349976658.db2.gz HNENKWPLUYQBRA-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000624119707 349976661 /nfs/dbraw/zinc/97/66/61/349976661.db2.gz HNENKWPLUYQBRA-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119707 349976662 /nfs/dbraw/zinc/97/66/62/349976662.db2.gz HNENKWPLUYQBRA-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121659 349979785 /nfs/dbraw/zinc/97/97/85/349979785.db2.gz ALOIKPYEBMFOIG-CHWSQXEVSA-N 1 3 280.378 3.429 20 0 CGADHO CCSCC[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000602728015 348019591 /nfs/dbraw/zinc/01/95/91/348019591.db2.gz HDZHAKQDDOKZMS-RDJZCZTQSA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728015 348019594 /nfs/dbraw/zinc/01/95/94/348019594.db2.gz HDZHAKQDDOKZMS-RDJZCZTQSA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728015 348019597 /nfs/dbraw/zinc/01/95/97/348019597.db2.gz HDZHAKQDDOKZMS-RDJZCZTQSA-N 1 3 292.492 3.097 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120694 349978279 /nfs/dbraw/zinc/97/82/79/349978279.db2.gz FGRVLAKESUTITB-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120694 349978282 /nfs/dbraw/zinc/97/82/82/349978282.db2.gz FGRVLAKESUTITB-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120694 349978286 /nfs/dbraw/zinc/97/82/86/349978286.db2.gz FGRVLAKESUTITB-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000624122074 349980520 /nfs/dbraw/zinc/98/05/20/349980520.db2.gz JESBQDSLNDQZDR-ZLPCBKJTSA-N 1 3 272.436 3.254 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000624121655 349980679 /nfs/dbraw/zinc/98/06/79/349980679.db2.gz AJNCRGGPKIFHHM-HKUYNNGSSA-N 1 3 286.463 3.329 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000624123181 349982992 /nfs/dbraw/zinc/98/29/92/349982992.db2.gz HIIQYEIYLYWLBH-IYXRBSQSSA-N 1 3 274.399 3.132 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000624123216 349983441 /nfs/dbraw/zinc/98/34/41/349983441.db2.gz IEAVBGNIEHHVEY-PBHICJAKSA-N 1 3 288.435 3.091 20 0 CGADHO C/C(=C\c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000608061547 348280571 /nfs/dbraw/zinc/28/05/71/348280571.db2.gz JZJHYEHURXWCSJ-ZTMPEJBFSA-N 1 3 258.409 3.162 20 0 CGADHO C/C(=C\c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000608061547 348280574 /nfs/dbraw/zinc/28/05/74/348280574.db2.gz JZJHYEHURXWCSJ-ZTMPEJBFSA-N 1 3 258.409 3.162 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000358452280 233135520 /nfs/dbraw/zinc/13/55/20/233135520.db2.gz PEWSNIMVIXFELH-CHWSQXEVSA-N 1 3 298.377 3.233 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000358452280 233135522 /nfs/dbraw/zinc/13/55/22/233135522.db2.gz PEWSNIMVIXFELH-CHWSQXEVSA-N 1 3 298.377 3.233 20 0 CGADHO CCC[C@H](C)CCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000625265001 350150124 /nfs/dbraw/zinc/15/01/24/350150124.db2.gz PBVCTEXHHFWJLG-XWTMOSNGSA-N 1 3 296.499 3.386 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC[C@H](C)O1 ZINC000626063002 350254651 /nfs/dbraw/zinc/25/46/51/350254651.db2.gz NZJXFNSIFLZROT-MAUKXSAKSA-N 1 3 290.451 3.138 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000628425139 350535669 /nfs/dbraw/zinc/53/56/69/350535669.db2.gz BJIMKRBYLVFIDB-SJORKVTESA-N 1 3 274.452 3.420 20 0 CGADHO CC(C)C[C@H](NCCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629536199 350704675 /nfs/dbraw/zinc/70/46/75/350704675.db2.gz GBELSYOZCFQRDH-INIZCTEOSA-N 1 3 298.858 3.382 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)CC3 ZINC000629542785 350708382 /nfs/dbraw/zinc/70/83/82/350708382.db2.gz LPZWPJMDPJCNNL-ZNMIVQPWSA-N 1 3 297.446 3.064 20 0 CGADHO CC[C@@H](c1ccccc1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585329 350714585 /nfs/dbraw/zinc/71/45/85/350714585.db2.gz RPHRUVAARLUKMJ-YESZJQIVSA-N 1 3 258.409 3.069 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000629407500 350689137 /nfs/dbraw/zinc/68/91/37/350689137.db2.gz BSHCOVMLIOANGL-LEUOFYLZSA-N 1 3 272.436 3.443 20 0 CGADHO Cc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H](N)c3ccccc31)CO2 ZINC000629516008 350699477 /nfs/dbraw/zinc/69/94/77/350699477.db2.gz YYMUEVVVADQHQO-KKXDTOCCSA-N 1 3 294.398 3.033 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514482 350699762 /nfs/dbraw/zinc/69/97/62/350699762.db2.gz MIULLZNERIBRMC-IJEWVQPXSA-N 1 3 294.826 3.063 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCC(F)(F)CC1 ZINC000629517089 350699939 /nfs/dbraw/zinc/69/99/39/350699939.db2.gz ADSZSTUOUWDDMU-WCQYABFASA-N 1 3 272.383 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC(F)(F)CC1 ZINC000629517089 350699940 /nfs/dbraw/zinc/69/99/40/350699940.db2.gz ADSZSTUOUWDDMU-WCQYABFASA-N 1 3 272.383 3.075 20 0 CGADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](C)CN1CCCC1 ZINC000631570043 351071010 /nfs/dbraw/zinc/07/10/10/351071010.db2.gz OXKSSFRBPNBVIT-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CC1(C)C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000634679303 351565193 /nfs/dbraw/zinc/56/51/93/351565193.db2.gz QHFSEAISQNQOGC-QGZVFWFLSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733530 351577955 /nfs/dbraw/zinc/57/79/55/351577955.db2.gz HLLPPBSBSPWQSQ-RYUDHWBXSA-N 1 3 280.378 3.475 20 0 CGADHO Cc1cc(CN[C@H]2CC[NH2+]CC(C)(C)C2)cc2cccnc12 ZINC000634732516 351578022 /nfs/dbraw/zinc/57/80/22/351578022.db2.gz IIIXLWLNRWXZPZ-KRWDZBQOSA-N 1 3 297.446 3.411 20 0 CGADHO CCc1ccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634733133 351578275 /nfs/dbraw/zinc/57/82/75/351578275.db2.gz XPPHTZNFJUYVHX-LBPRGKRZSA-N 1 3 266.454 3.178 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733528 351578680 /nfs/dbraw/zinc/57/86/80/351578680.db2.gz HLLPPBSBSPWQSQ-NEPJUHHUSA-N 1 3 280.378 3.475 20 0 CGADHO Cc1scc(C[NH2+][C@H]2CCCCC[C@H]2N)c1C ZINC000635020124 351632846 /nfs/dbraw/zinc/63/28/46/351632846.db2.gz JVUDVZXJOFIPQA-KGLIPLIRSA-N 1 3 252.427 3.115 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635005330 351623539 /nfs/dbraw/zinc/62/35/39/351623539.db2.gz JCLLIJKSSURBDB-WBVHZDCISA-N 1 3 289.467 3.161 20 0 CGADHO c1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c2c(c1)CNCC2 ZINC000635009602 351627642 /nfs/dbraw/zinc/62/76/42/351627642.db2.gz ILPQDLXZUGJJEQ-ZWKOTPCHSA-N 1 3 270.420 3.001 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613449 234232300 /nfs/dbraw/zinc/23/23/00/234232300.db2.gz COOYERNALZIKMO-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613449 234232305 /nfs/dbraw/zinc/23/23/05/234232305.db2.gz COOYERNALZIKMO-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367613449 234232309 /nfs/dbraw/zinc/23/23/09/234232309.db2.gz COOYERNALZIKMO-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292257154 198220945 /nfs/dbraw/zinc/22/09/45/198220945.db2.gz YGXDQQVNKHHVBI-GOSISDBHSA-N 1 3 288.435 3.001 20 0 CGADHO CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292257154 198220947 /nfs/dbraw/zinc/22/09/47/198220947.db2.gz YGXDQQVNKHHVBI-GOSISDBHSA-N 1 3 288.435 3.001 20 0 CGADHO Fc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423391828 283006679 /nfs/dbraw/zinc/00/66/79/283006679.db2.gz PUQWSYROIJVZPH-GOSISDBHSA-N 1 3 282.362 3.206 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097654 235334994 /nfs/dbraw/zinc/33/49/94/235334994.db2.gz IJZZSXPXEQDEMJ-ILXRZTDVSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097654 235334996 /nfs/dbraw/zinc/33/49/96/235334996.db2.gz IJZZSXPXEQDEMJ-ILXRZTDVSA-N 1 3 276.424 3.137 20 0 CGADHO CCOc1ccccc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414194244 235361054 /nfs/dbraw/zinc/36/10/54/235361054.db2.gz UNPQVBQVPWEJFR-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO CCOc1ccccc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414194244 235361057 /nfs/dbraw/zinc/36/10/57/235361057.db2.gz UNPQVBQVPWEJFR-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1occc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000414297136 235382194 /nfs/dbraw/zinc/38/21/94/235382194.db2.gz YIDMBBBKSAXKKE-CQSZACIVSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1occc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000414297136 235382196 /nfs/dbraw/zinc/38/21/96/235382196.db2.gz YIDMBBBKSAXKKE-CQSZACIVSA-N 1 3 264.413 3.332 20 0 CGADHO Clc1scc(CNCC[C@@H]2CC[NH2+]C2)c1Cl ZINC000414824548 235475227 /nfs/dbraw/zinc/47/52/27/235475227.db2.gz AVIMKGWVFLOREX-QMMMGPOBSA-N 1 3 279.236 3.144 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCCCOC1CCCCC1 ZINC000422712442 235908005 /nfs/dbraw/zinc/90/80/05/235908005.db2.gz OFLSYEYRYOVUKN-GJZGRUSLSA-N 1 3 270.461 3.221 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423033745 235960813 /nfs/dbraw/zinc/96/08/13/235960813.db2.gz ZWDXWNOWJOEBDF-RFOFUXHYSA-N 1 3 270.420 3.183 20 0 CGADHO C[C@H](NCC(C)(C)[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423286273 236023879 /nfs/dbraw/zinc/02/38/79/236023879.db2.gz GJJJTRJFGAAQQR-MNOVXSKESA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@H]1CCCC[C@H]1C ZINC000423271939 236016361 /nfs/dbraw/zinc/01/63/61/236016361.db2.gz HRTCSHIUIVOZOU-DGADGQDISA-N 1 3 252.446 3.308 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423309746 236033742 /nfs/dbraw/zinc/03/37/42/236033742.db2.gz QOHFYBJAGWDXKY-VPOLOUISSA-N 1 3 272.845 3.078 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423327681 236039657 /nfs/dbraw/zinc/03/96/57/236039657.db2.gz DEQPVEQPUTUFDP-OALUTQOASA-N 1 3 286.463 3.295 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]CC2CNC2)c1 ZINC000423328920 236039791 /nfs/dbraw/zinc/03/97/91/236039791.db2.gz SSAUJTDPRMBKCI-CABCVRRESA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CCC[C@@H]2NCC2C[NH2+]C2)c1 ZINC000423328920 236039794 /nfs/dbraw/zinc/03/97/94/236039794.db2.gz SSAUJTDPRMBKCI-CABCVRRESA-N 1 3 298.352 3.151 20 0 CGADHO C[C@H](NCC1C[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000423306771 236031769 /nfs/dbraw/zinc/03/17/69/236031769.db2.gz USULHQJMEVGLPV-HNNXBMFYSA-N 1 3 280.415 3.016 20 0 CGADHO C[C@H]([NH2+]CC1CNC1)C(c1ccccc1)c1ccccc1 ZINC000423306771 236031773 /nfs/dbraw/zinc/03/17/73/236031773.db2.gz USULHQJMEVGLPV-HNNXBMFYSA-N 1 3 280.415 3.016 20 0 CGADHO COc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423354477 236047921 /nfs/dbraw/zinc/04/79/21/236047921.db2.gz GGGRPRPFBOLZFU-CYBMUJFWSA-N 1 3 282.387 3.149 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCCCc2ccccc21 ZINC000423364691 236051457 /nfs/dbraw/zinc/05/14/57/236051457.db2.gz CSFLWTQCLWPXKN-XYPHTWIQSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000423364691 236051458 /nfs/dbraw/zinc/05/14/58/236051458.db2.gz CSFLWTQCLWPXKN-XYPHTWIQSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C2CC2)c1 ZINC000423366974 236051497 /nfs/dbraw/zinc/05/14/97/236051497.db2.gz MBHBCAGXLWPMBC-VUCTXSBTSA-N 1 3 258.409 3.485 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H](C)CCCC[NH3+])c(F)c1 ZINC000423420638 236068406 /nfs/dbraw/zinc/06/84/06/236068406.db2.gz BRHVSAZCKOIOFY-NWDGAFQWSA-N 1 3 268.376 3.002 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2NCCC[NH2+]C1CC1 ZINC000423532874 236093276 /nfs/dbraw/zinc/09/32/76/236093276.db2.gz WCKPLJCCECKKRV-KRWDZBQOSA-N 1 3 258.409 3.186 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCNC1CC1 ZINC000423532874 236093278 /nfs/dbraw/zinc/09/32/78/236093278.db2.gz WCKPLJCCECKKRV-KRWDZBQOSA-N 1 3 258.409 3.186 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCNC1CC1 ZINC000423553068 236098137 /nfs/dbraw/zinc/09/81/37/236098137.db2.gz KFEOMPNBQHMWGB-CZUORRHYSA-N 1 3 258.409 3.275 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)C1 ZINC000424361719 236157528 /nfs/dbraw/zinc/15/75/28/236157528.db2.gz YANDEOOHYCNYDO-XHHISWJOSA-N 1 3 276.468 3.418 20 0 CGADHO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424298348 236144305 /nfs/dbraw/zinc/14/43/05/236144305.db2.gz UMBIIMZMKFLIOR-ZIAGYGMSSA-N 1 3 297.240 3.117 20 0 CGADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156462389 299290665 /nfs/dbraw/zinc/29/06/65/299290665.db2.gz ZZSFAQZFMDMBNY-BBWFWOEESA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156462389 299290669 /nfs/dbraw/zinc/29/06/69/299290669.db2.gz ZZSFAQZFMDMBNY-BBWFWOEESA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccs1 ZINC000178035168 299291012 /nfs/dbraw/zinc/29/10/12/299291012.db2.gz NJQRSIYISDTIKA-KKUMJFAQSA-N 1 3 296.480 3.288 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NCc1cc[nH]c1 ZINC000177848474 189074232 /nfs/dbraw/zinc/07/42/32/189074232.db2.gz PVIDIUZNASANRE-MCPYQZEQSA-N 1 3 297.446 3.261 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NCc1cc[nH]c1 ZINC000177848474 189074233 /nfs/dbraw/zinc/07/42/33/189074233.db2.gz PVIDIUZNASANRE-MCPYQZEQSA-N 1 3 297.446 3.261 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000177887742 189076370 /nfs/dbraw/zinc/07/63/70/189076370.db2.gz WSTREONORZGMRT-YESZJQIVSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000177887742 189076371 /nfs/dbraw/zinc/07/63/71/189076371.db2.gz WSTREONORZGMRT-YESZJQIVSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1ccc(SCCN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000178380377 189111535 /nfs/dbraw/zinc/11/15/35/189111535.db2.gz PZTXMZXJIWLLOJ-ZOBUZTSGSA-N 1 3 292.492 3.405 20 0 CGADHO Cc1ccc(SCCN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380377 189111536 /nfs/dbraw/zinc/11/15/36/189111536.db2.gz PZTXMZXJIWLLOJ-ZOBUZTSGSA-N 1 3 292.492 3.405 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(OC(F)F)c1 ZINC000179598760 189205954 /nfs/dbraw/zinc/20/59/54/189205954.db2.gz GCCXGUCJAJVSIK-GXTWGEPZSA-N 1 3 298.377 3.423 20 0 CGADHO CCC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccnc1 ZINC000184833169 189396654 /nfs/dbraw/zinc/39/66/54/189396654.db2.gz VMPVERBLZRQTMR-OAHLLOKOSA-N 1 3 263.429 3.100 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000449176107 239224112 /nfs/dbraw/zinc/22/41/12/239224112.db2.gz RZKOFUWGHJWXOY-JKSUJKDBSA-N 1 3 272.392 3.395 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000251518486 299369363 /nfs/dbraw/zinc/36/93/63/299369363.db2.gz KHYOFTBBNFVQOG-CORIIIEPSA-N 1 3 298.377 3.456 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000469852506 242703996 /nfs/dbraw/zinc/70/39/96/242703996.db2.gz LQVZAZLTUHCGKR-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423517229 296118318 /nfs/dbraw/zinc/11/83/18/296118318.db2.gz BHWKQVDUHUHZNP-HKUAFEEUSA-N 1 3 276.468 3.308 20 0 CGADHO CCCc1cccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000479452015 243105440 /nfs/dbraw/zinc/10/54/40/243105440.db2.gz HXLQEDILXIHIDP-YOEHRIQHSA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000479452015 243105445 /nfs/dbraw/zinc/10/54/45/243105445.db2.gz HXLQEDILXIHIDP-YOEHRIQHSA-N 1 3 260.425 3.211 20 0 CGADHO Cc1ccc2nccc(NC3CC([NH+]4CCCCC4)C3)c2c1 ZINC000480859420 243167540 /nfs/dbraw/zinc/16/75/40/243167540.db2.gz XJCNSCXXHBCFSN-UHFFFAOYSA-N 1 3 295.430 3.394 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000483306941 243274809 /nfs/dbraw/zinc/27/48/09/243274809.db2.gz VEZHBSBEEJNWEK-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N)C1(c2ccccc2)CCCC1 ZINC000423228092 296126345 /nfs/dbraw/zinc/12/63/45/296126345.db2.gz YCPACYQYEIYRAF-LSDHHAIUSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])C1(c2ccccc2)CCCC1 ZINC000423228092 296126346 /nfs/dbraw/zinc/12/63/46/296126346.db2.gz YCPACYQYEIYRAF-LSDHHAIUSA-N 1 3 260.425 3.214 20 0 CGADHO FC(F)(F)C1CCC(C[NH2+]CCCN2CCCC2)CC1 ZINC000124262535 370923095 /nfs/dbraw/zinc/92/30/95/370923095.db2.gz FBBABKVBCJBGJG-UHFFFAOYSA-N 1 3 292.389 3.431 20 0 CGADHO COc1cccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000021008761 368808249 /nfs/dbraw/zinc/80/82/49/368808249.db2.gz MJSRCWACVDURFN-INIZCTEOSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN(C)C ZINC000037213748 369076916 /nfs/dbraw/zinc/07/69/16/369076916.db2.gz VOSPIZSFFXIGEX-LLVKDONJSA-N 1 3 283.485 3.351 20 0 CGADHO Fc1ccc([C@@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000037229623 369078232 /nfs/dbraw/zinc/07/82/32/369078232.db2.gz MTFLPKJGCUKDBE-KRWDZBQOSA-N 1 3 276.399 3.352 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037649163 369095405 /nfs/dbraw/zinc/09/54/05/369095405.db2.gz TVKMVNGKZIYISZ-PBHICJAKSA-N 1 3 258.409 3.212 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649163 369095409 /nfs/dbraw/zinc/09/54/09/369095409.db2.gz TVKMVNGKZIYISZ-PBHICJAKSA-N 1 3 258.409 3.212 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000037644258 369095950 /nfs/dbraw/zinc/09/59/50/369095950.db2.gz VVIKRLXOWQCFRY-STQMWFEESA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649225 369097013 /nfs/dbraw/zinc/09/70/13/369097013.db2.gz SYESUSDOPHKDRA-RYUDHWBXSA-N 1 3 280.362 3.100 20 0 CGADHO [NH3+]CCCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000037714791 369100645 /nfs/dbraw/zinc/10/06/45/369100645.db2.gz PGHCEOUVNBBOTO-QGZVFWFLSA-N 1 3 272.367 3.244 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C(C)(C)c1ccccc1 ZINC000423330416 296134034 /nfs/dbraw/zinc/13/40/34/296134034.db2.gz NRTZQOWBKRDSJX-CRAIPNDOSA-N 1 3 274.452 3.332 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000044515177 369264346 /nfs/dbraw/zinc/26/43/46/369264346.db2.gz ATPJFIAKTPOLKT-GFCCVEGCSA-N 1 3 266.816 3.332 20 0 CGADHO Cc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000227380725 189784385 /nfs/dbraw/zinc/78/43/85/189784385.db2.gz XLHCFWZRPDSLMP-GJZGRUSLSA-N 1 3 283.419 3.102 20 0 CGADHO C[C@H](Nc1ccnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000050164225 369430349 /nfs/dbraw/zinc/43/03/49/369430349.db2.gz UHTACCOBGMCTSQ-STQMWFEESA-N 1 3 255.365 3.035 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccsc1 ZINC000050338842 369436076 /nfs/dbraw/zinc/43/60/76/369436076.db2.gz JEPJYPBCCGZVRI-ZDUSSCGKSA-N 1 3 252.427 3.275 20 0 CGADHO c1ccc2c(c1)cccc2CN[C@H]1CCC[NH2+]CC1 ZINC000129224979 370979024 /nfs/dbraw/zinc/97/90/24/370979024.db2.gz FWYKTKZQOONMFJ-INIZCTEOSA-N 1 3 254.377 3.072 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1C(F)(F)F ZINC000422922167 296147852 /nfs/dbraw/zinc/14/78/52/296147852.db2.gz PRJNDGODUDUFGH-GARJFASQSA-N 1 3 274.330 3.482 20 0 CGADHO Cc1cc(F)ccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197308 369643157 /nfs/dbraw/zinc/64/31/57/369643157.db2.gz GHDYMLMMXWTMMW-QGZVFWFLSA-N 1 3 276.399 3.098 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1 ZINC000089139752 370037868 /nfs/dbraw/zinc/03/78/68/370037868.db2.gz PEOBRIBKWYCHTA-GXTWGEPZSA-N 1 3 297.240 3.056 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000090714607 370064919 /nfs/dbraw/zinc/06/49/19/370064919.db2.gz YSOXSKPVBMOHDK-QKPAOTATSA-N 1 3 250.430 3.172 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)CC1 ZINC000092043717 370090075 /nfs/dbraw/zinc/09/00/75/370090075.db2.gz YBXQOMJAEQWDLG-BACDZXNISA-N 1 3 264.457 3.229 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)CC1 ZINC000092043717 370090079 /nfs/dbraw/zinc/09/00/79/370090079.db2.gz YBXQOMJAEQWDLG-BACDZXNISA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cccnc1 ZINC000112546742 370432963 /nfs/dbraw/zinc/43/29/63/370432963.db2.gz YHQNMOBMBIBYNH-MRXNPFEDSA-N 1 3 275.440 3.388 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130252695 371021348 /nfs/dbraw/zinc/02/13/48/371021348.db2.gz MHEZRUHVIUQLMS-FPCVCCKLSA-N 1 3 264.457 3.418 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351101 371027916 /nfs/dbraw/zinc/02/79/16/371027916.db2.gz DHOFBBYUNCNUCH-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351101 371027918 /nfs/dbraw/zinc/02/79/18/371027918.db2.gz DHOFBBYUNCNUCH-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351101 371027920 /nfs/dbraw/zinc/02/79/20/371027920.db2.gz DHOFBBYUNCNUCH-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[C@@H](C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000421874330 371691116 /nfs/dbraw/zinc/69/11/16/371691116.db2.gz IFIXKPZUITZENP-HUUCEWRRSA-N 1 3 278.440 3.324 20 0 CGADHO CCC[C@@H](CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422561349 371749366 /nfs/dbraw/zinc/74/93/66/371749366.db2.gz KTWRBNMQGAYONQ-KRWDZBQOSA-N 1 3 272.436 3.398 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118033 371750225 /nfs/dbraw/zinc/75/02/25/371750225.db2.gz DGMOKJQLEQOMCR-KSSFIOAISA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118033 371750233 /nfs/dbraw/zinc/75/02/33/371750233.db2.gz DGMOKJQLEQOMCR-KSSFIOAISA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118033 371750240 /nfs/dbraw/zinc/75/02/40/371750240.db2.gz DGMOKJQLEQOMCR-KSSFIOAISA-N 1 3 297.446 3.477 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)c2ccccc21 ZINC000422696789 371757721 /nfs/dbraw/zinc/75/77/21/371757721.db2.gz SLJPDAZSIRIBII-IAGOWNOFSA-N 1 3 288.341 3.242 20 0 CGADHO CCN(Cc1ccn(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289556597 371760024 /nfs/dbraw/zinc/76/00/24/371760024.db2.gz YCRYBNXLWCEWGP-UHFFFAOYSA-N 1 3 285.435 3.109 20 0 CGADHO [NH3+]CC1CCC(NCc2coc(-c3cccs3)n2)CC1 ZINC000422724863 371769804 /nfs/dbraw/zinc/76/98/04/371769804.db2.gz WVNHECOJACCHEQ-UHFFFAOYSA-N 1 3 291.420 3.010 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000422728887 371770592 /nfs/dbraw/zinc/77/05/92/371770592.db2.gz JTWBPQOBWXEBBE-RBOXIYTFSA-N 1 3 261.413 3.078 20 0 CGADHO Cc1ccccc1OCCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422732934 371772086 /nfs/dbraw/zinc/77/20/86/371772086.db2.gz ALPQHGYYQMULPQ-HOTGVXAUSA-N 1 3 276.424 3.014 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])c1cccs1 ZINC000422733325 371772552 /nfs/dbraw/zinc/77/25/52/371772552.db2.gz AYEDGTJXSUTQFA-QWHCGFSZSA-N 1 3 266.454 3.275 20 0 CGADHO Clc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422758553 371788998 /nfs/dbraw/zinc/78/89/98/371788998.db2.gz FCULGEIETMOUAM-XYPWUTKMSA-N 1 3 290.838 3.244 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1ccccc1F ZINC000422817613 371829456 /nfs/dbraw/zinc/82/94/56/371829456.db2.gz IAHBFERWNNFSIH-IIAWOOMASA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1F ZINC000422817613 371829459 /nfs/dbraw/zinc/82/94/59/371829459.db2.gz IAHBFERWNNFSIH-IIAWOOMASA-N 1 3 294.414 3.090 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774915 371799506 /nfs/dbraw/zinc/79/95/06/371799506.db2.gz YXTKTYFLVRZSKY-CZUORRHYSA-N 1 3 292.854 3.479 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOc1ccccc1 ZINC000422792216 371811329 /nfs/dbraw/zinc/81/13/29/371811329.db2.gz QYVHLBDOJJAHHU-VQIMIIECSA-N 1 3 298.430 3.004 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[NH2+]CC[C@H]3C)ccc2c1 ZINC000422795413 371814191 /nfs/dbraw/zinc/81/41/91/371814191.db2.gz HOFOLQJIKZIDCE-AUUYWEPGSA-N 1 3 298.430 3.326 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C(C)C ZINC000422803883 371818817 /nfs/dbraw/zinc/81/88/17/371818817.db2.gz DIZJDETXYYUGBP-BRSBDYLESA-N 1 3 296.499 3.338 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422812863 371824979 /nfs/dbraw/zinc/82/49/79/371824979.db2.gz RCDSTIJGZFATOS-WMZOPIPTSA-N 1 3 286.463 3.476 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cccc(OC(F)F)c1 ZINC000422884338 371852939 /nfs/dbraw/zinc/85/29/39/371852939.db2.gz RVYOCRUHCNAVPV-GARJFASQSA-N 1 3 272.339 3.064 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422900846 371861155 /nfs/dbraw/zinc/86/11/55/371861155.db2.gz KAGAWKLPQDJSQA-RDJZCZTQSA-N 1 3 272.436 3.004 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422900846 371861159 /nfs/dbraw/zinc/86/11/59/371861159.db2.gz KAGAWKLPQDJSQA-RDJZCZTQSA-N 1 3 272.436 3.004 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000422916242 371868435 /nfs/dbraw/zinc/86/84/35/371868435.db2.gz CZWLHRJBHDVODE-JOCLIGHLSA-N 1 3 294.442 3.166 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422920673 371870186 /nfs/dbraw/zinc/87/01/86/371870186.db2.gz MOWNCBWWCIZDGW-FQBWVUSXSA-N 1 3 284.447 3.128 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422936546 371880070 /nfs/dbraw/zinc/88/00/70/371880070.db2.gz MMKNORMNCJJFOX-HNAYVOBHSA-N 1 3 282.431 3.360 20 0 CGADHO COc1cccc(CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422944251 371883424 /nfs/dbraw/zinc/88/34/24/371883424.db2.gz LDSHURKWZVRDHJ-RTBURBONSA-N 1 3 296.414 3.362 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000422847997 371839240 /nfs/dbraw/zinc/83/92/40/371839240.db2.gz JCSPRKOVUHLJOE-FQUUOJAGSA-N 1 3 292.389 3.475 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422945292 371884672 /nfs/dbraw/zinc/88/46/72/371884672.db2.gz NJQPNXXVXCARGQ-YOEHRIQHSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422945292 371884676 /nfs/dbraw/zinc/88/46/76/371884676.db2.gz NJQPNXXVXCARGQ-YOEHRIQHSA-N 1 3 290.451 3.050 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCNCC1 ZINC000422854968 371841021 /nfs/dbraw/zinc/84/10/21/371841021.db2.gz BNTYZVPJSURHLF-SNVBAGLBSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC1CC[NH2+]CC1 ZINC000422854968 371841023 /nfs/dbraw/zinc/84/10/23/371841023.db2.gz BNTYZVPJSURHLF-SNVBAGLBSA-N 1 3 287.234 3.266 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422945289 371884813 /nfs/dbraw/zinc/88/48/13/371884813.db2.gz NJQPNXXVXCARGQ-PBHICJAKSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422945289 371884822 /nfs/dbraw/zinc/88/48/22/371884822.db2.gz NJQPNXXVXCARGQ-PBHICJAKSA-N 1 3 290.451 3.050 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422857752 371842346 /nfs/dbraw/zinc/84/23/46/371842346.db2.gz YXUAOSUGAAFDBY-INMHGKMJSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000423070374 371945287 /nfs/dbraw/zinc/94/52/87/371945287.db2.gz NBORYFDWFMHXRX-KAKFPZCNSA-N 1 3 286.463 3.374 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423053886 371938237 /nfs/dbraw/zinc/93/82/37/371938237.db2.gz SJQUAERWSXSKEJ-HUUCEWRRSA-N 1 3 278.465 3.207 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)C1CNC1 ZINC000423058002 371939444 /nfs/dbraw/zinc/93/94/44/371939444.db2.gz BGVVKZHFNKCXED-AEGPPILISA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422960425 371892956 /nfs/dbraw/zinc/89/29/56/371892956.db2.gz WHHIMGIUFHVZKG-RDJZCZTQSA-N 1 3 290.451 3.167 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422974725 371896880 /nfs/dbraw/zinc/89/68/80/371896880.db2.gz ABQYYTKBERCLJS-KZNAEPCWSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCC(F)(F)C1 ZINC000422988666 371904286 /nfs/dbraw/zinc/90/42/86/371904286.db2.gz JRLRLGWYUUGYBM-NWANDNLSSA-N 1 3 282.378 3.112 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000422994061 371906416 /nfs/dbraw/zinc/90/64/16/371906416.db2.gz GPZGXDUGRZWVFX-IEBWSBKVSA-N 1 3 295.430 3.498 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CCO)C1CCCCC1 ZINC000423001952 371909442 /nfs/dbraw/zinc/90/94/42/371909442.db2.gz FKLBGWFWODUSTO-BPQIPLTHSA-N 1 3 296.499 3.218 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)C1CCCC1 ZINC000423001036 371909910 /nfs/dbraw/zinc/90/99/10/371909910.db2.gz HKFXSFXHXPWGOO-UKRRQHHQSA-N 1 3 252.446 3.310 20 0 CGADHO CC(C)CSCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423012735 371915081 /nfs/dbraw/zinc/91/50/81/371915081.db2.gz LFRGROAUARBWES-BZUAXINKSA-N 1 3 284.513 3.276 20 0 CGADHO CC(C)CSCCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423014477 371917154 /nfs/dbraw/zinc/91/71/54/371917154.db2.gz PEZXLYXBDBHKLJ-RDJZCZTQSA-N 1 3 294.508 3.314 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccccc2Cl)CC1 ZINC000423028999 371924526 /nfs/dbraw/zinc/92/45/26/371924526.db2.gz ULWWXFKBTQSBRG-VXGBXAGGSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028999 371924530 /nfs/dbraw/zinc/92/45/30/371924530.db2.gz ULWWXFKBTQSBRG-VXGBXAGGSA-N 1 3 266.816 3.087 20 0 CGADHO CS[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)(C)C ZINC000423034721 371926257 /nfs/dbraw/zinc/92/62/57/371926257.db2.gz QKERZLSAXLRRMW-FVQBIDKESA-N 1 3 294.508 3.312 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000423037631 371928254 /nfs/dbraw/zinc/92/82/54/371928254.db2.gz NFDFACWUANRERO-MGPQQGTHSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423048749 371933546 /nfs/dbraw/zinc/93/35/46/371933546.db2.gz IQUMXGKEJOBKCG-IHRRRGAJSA-N 1 3 266.454 3.191 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423092008 371958976 /nfs/dbraw/zinc/95/89/76/371958976.db2.gz ADAFHYARNZDCIR-WBOJAVRRSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423093394 371959107 /nfs/dbraw/zinc/95/91/07/371959107.db2.gz HINBQYPCZPGMJP-LMRQPLJMSA-N 1 3 264.388 3.177 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423103189 371968045 /nfs/dbraw/zinc/96/80/45/371968045.db2.gz KWVGSHJLCNJTDU-ZFWWWQNUSA-N 1 3 291.826 3.012 20 0 CGADHO Cc1cccc(CCCN[C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000423107151 371970183 /nfs/dbraw/zinc/97/01/83/371970183.db2.gz PKIHFRLRIVOTCZ-SJLPKXTDSA-N 1 3 289.467 3.223 20 0 CGADHO C[C@H](N[C@@H]1CC(C)(C)CCc2ccccc21)C1C[NH2+]C1 ZINC000423110883 371972138 /nfs/dbraw/zinc/97/21/38/371972138.db2.gz WCFLOJIEQZZWDW-SUMWQHHRSA-N 1 3 272.436 3.288 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC(C)(C)CCc2ccccc21)C1CNC1 ZINC000423110883 371972148 /nfs/dbraw/zinc/97/21/48/371972148.db2.gz WCFLOJIEQZZWDW-SUMWQHHRSA-N 1 3 272.436 3.288 20 0 CGADHO c1cc2c(cccc2CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[nH]1 ZINC000423116345 371975425 /nfs/dbraw/zinc/97/54/25/371975425.db2.gz PMQNQPUWWKKMSU-QRQLOZEOSA-N 1 3 297.446 3.221 20 0 CGADHO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423170976 372002095 /nfs/dbraw/zinc/00/20/95/372002095.db2.gz ZEGGLJQFDFQBLZ-KBRIMQKVSA-N 1 3 275.440 3.324 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423125641 371979511 /nfs/dbraw/zinc/97/95/11/371979511.db2.gz NPYZFYLEJOKQGN-PNKMZZHYSA-N 1 3 290.373 3.228 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423135476 371984449 /nfs/dbraw/zinc/98/44/49/371984449.db2.gz YFMIJKOFBXQSRO-UMSGYPCISA-N 1 3 278.362 3.072 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423155045 371994046 /nfs/dbraw/zinc/99/40/46/371994046.db2.gz IQTSOQKHFNAOJF-FSGLHJGXSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccc(F)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423159228 371996288 /nfs/dbraw/zinc/99/62/88/371996288.db2.gz XPJQDOXNOCBUGE-KBAYOESNSA-N 1 3 290.426 3.187 20 0 CGADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423163589 371997887 /nfs/dbraw/zinc/99/78/87/371997887.db2.gz MVWXMIRQUSSBAZ-AFAVFJNCSA-N 1 3 294.414 3.015 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423070140 371945768 /nfs/dbraw/zinc/94/57/68/371945768.db2.gz MVXIDBMINFDIHM-VWYCJHECSA-N 1 3 274.330 3.482 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000423081169 371951975 /nfs/dbraw/zinc/95/19/75/371951975.db2.gz UJKWGSYWEWNZTK-IRXDYDNUSA-N 1 3 258.409 3.314 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H](C)C[C@@H](C)N)CCC2)cc1C ZINC000423084887 371954349 /nfs/dbraw/zinc/95/43/49/371954349.db2.gz IWGSSLCLYUOCLI-HZPDHXFCSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C2(CN[C@H](C)C[C@@H](C)[NH3+])CCC2)cc1C ZINC000423084887 371954353 /nfs/dbraw/zinc/95/43/53/371954353.db2.gz IWGSSLCLYUOCLI-HZPDHXFCSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@H]2CCCC[C@H]2CN)c1C ZINC000423090422 371956649 /nfs/dbraw/zinc/95/66/49/371956649.db2.gz VNFQDPXMUYTGJG-IRXDYDNUSA-N 1 3 290.451 3.179 20 0 CGADHO C[NH2+]CCCN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000423200921 372025013 /nfs/dbraw/zinc/02/50/13/372025013.db2.gz NKMMBXDKAQPPEQ-OAHLLOKOSA-N 1 3 260.425 3.086 20 0 CGADHO CNCCC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000423200921 372025017 /nfs/dbraw/zinc/02/50/17/372025017.db2.gz NKMMBXDKAQPPEQ-OAHLLOKOSA-N 1 3 260.425 3.086 20 0 CGADHO CC(C)[C@@H]([NH2+]CC1(N)CCCCCC1)c1cccnc1 ZINC000423204019 372027973 /nfs/dbraw/zinc/02/79/73/372027973.db2.gz TVPSTUDAAYDXND-MRXNPFEDSA-N 1 3 275.440 3.420 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000423401223 372060729 /nfs/dbraw/zinc/06/07/29/372060729.db2.gz VWXPHUINMFMXHA-UMVBOHGHSA-N 1 3 264.800 3.187 20 0 CGADHO CCc1ccc([C@H](CC)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423214525 372033771 /nfs/dbraw/zinc/03/37/71/372033771.db2.gz PAWVGXQHNJKHHT-RDJZCZTQSA-N 1 3 260.425 3.289 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+]C[C@H]2CCCNC2)cc1 ZINC000423214525 372033781 /nfs/dbraw/zinc/03/37/81/372033781.db2.gz PAWVGXQHNJKHHT-RDJZCZTQSA-N 1 3 260.425 3.289 20 0 CGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423218588 372037586 /nfs/dbraw/zinc/03/75/86/372037586.db2.gz RXZPCGDQZWNDFV-UNEWFSDZSA-N 1 3 276.424 3.124 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H](CN)C2CC2)c2ccsc2S1 ZINC000423275919 372046396 /nfs/dbraw/zinc/04/63/96/372046396.db2.gz MIBVIYVRVDJNAV-KPXOXKRLSA-N 1 3 268.451 3.000 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423293645 372048021 /nfs/dbraw/zinc/04/80/21/372048021.db2.gz AKECKQLJFRBKPM-GIPNMCIBSA-N 1 3 297.240 3.182 20 0 CGADHO COc1ccccc1[C@H]([NH2+]C[C@H](N)C1CC1)C1CCCC1 ZINC000423319680 372051101 /nfs/dbraw/zinc/05/11/01/372051101.db2.gz LWQLUBZPXKBHSL-FUHWJXTLSA-N 1 3 288.435 3.253 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)CCN1 ZINC000423374072 372055953 /nfs/dbraw/zinc/05/59/53/372055953.db2.gz HPMAVKFODFCCLE-HSMVNMDESA-N 1 3 278.827 3.448 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2c(F)cccc2F)CCC1 ZINC000423174382 372004631 /nfs/dbraw/zinc/00/46/31/372004631.db2.gz BZKNRZPQGZAQRV-NEPJUHHUSA-N 1 3 282.378 3.102 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423174382 372004639 /nfs/dbraw/zinc/00/46/39/372004639.db2.gz BZKNRZPQGZAQRV-NEPJUHHUSA-N 1 3 282.378 3.102 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCCC1)c1cccc(OC)c1 ZINC000423181278 372008904 /nfs/dbraw/zinc/00/89/04/372008904.db2.gz ONYRGTKKWLOQQH-MRXNPFEDSA-N 1 3 276.424 3.398 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000423179959 372009508 /nfs/dbraw/zinc/00/95/08/372009508.db2.gz NAMRFMJILQMSGH-XJKSGUPXSA-N 1 3 258.409 3.171 20 0 CGADHO COc1ccccc1[C@H]([NH2+][C@H](C)[C@H](C)N)C1CCCC1 ZINC000423437138 372064029 /nfs/dbraw/zinc/06/40/29/372064029.db2.gz GCVRXSXHPHWWKE-OGHNNQOOSA-N 1 3 276.424 3.252 20 0 CGADHO NC1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423521218 372070997 /nfs/dbraw/zinc/07/09/97/372070997.db2.gz GDESUDDDXJVZIE-OMELKQHFSA-N 1 3 288.479 3.308 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CC23CCSCC3)c2ccccc21 ZINC000423561328 372073773 /nfs/dbraw/zinc/07/37/73/372073773.db2.gz VUHXVQNUYQSNOD-MAZHCROVSA-N 1 3 288.460 3.254 20 0 CGADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C(C2CC2)C2CC2)C1 ZINC000158652229 372078133 /nfs/dbraw/zinc/07/81/33/372078133.db2.gz GFIDTTWRFMIPCF-KBPBESRZSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000158965461 372095453 /nfs/dbraw/zinc/09/54/53/372095453.db2.gz WBUPKVAAZFBCIZ-KBAYOESNSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000158965461 372095458 /nfs/dbraw/zinc/09/54/58/372095458.db2.gz WBUPKVAAZFBCIZ-KBAYOESNSA-N 1 3 272.436 3.206 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000159331042 372132552 /nfs/dbraw/zinc/13/25/52/372132552.db2.gz CTJFLQVRJRDXNY-SJCJKPOMSA-N 1 3 276.399 3.133 20 0 CGADHO CC[NH+]1CCC(N[C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000159331454 372133098 /nfs/dbraw/zinc/13/30/98/372133098.db2.gz CTJFLQVRJRDXNY-SJKOYZFVSA-N 1 3 276.399 3.133 20 0 CGADHO CCCN1CCC([NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000161558869 372335328 /nfs/dbraw/zinc/33/53/28/372335328.db2.gz FRKATJWMKVMGHO-UHFFFAOYSA-N 1 3 291.483 3.498 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163487969 372472754 /nfs/dbraw/zinc/47/27/54/372472754.db2.gz IRQKKVZLXMBCDP-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163487969 372472760 /nfs/dbraw/zinc/47/27/60/372472760.db2.gz IRQKKVZLXMBCDP-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCSc2ccccc21)CN(C)C ZINC000293660956 372441150 /nfs/dbraw/zinc/44/11/50/372441150.db2.gz LXKZRNDTCYPEAS-JSGCOSHPSA-N 1 3 264.438 3.011 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c(C)s1 ZINC000293670884 372444805 /nfs/dbraw/zinc/44/48/05/372444805.db2.gz MOSGIBFBTMZJEB-ZYHUDNBSSA-N 1 3 254.443 3.213 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268492 372457169 /nfs/dbraw/zinc/45/71/69/372457169.db2.gz ZKJAGHIUKSQMCV-QWHCGFSZSA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268492 372457176 /nfs/dbraw/zinc/45/71/76/372457176.db2.gz ZKJAGHIUKSQMCV-QWHCGFSZSA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268492 372457185 /nfs/dbraw/zinc/45/71/85/372457185.db2.gz ZKJAGHIUKSQMCV-QWHCGFSZSA-N 1 3 278.465 3.229 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000164497440 372522357 /nfs/dbraw/zinc/52/23/57/372522357.db2.gz FFUBXIHNJJPGES-ZMSDIMECSA-N 1 3 260.425 3.122 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000164497440 372522360 /nfs/dbraw/zinc/52/23/60/372522360.db2.gz FFUBXIHNJJPGES-ZMSDIMECSA-N 1 3 260.425 3.122 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@]2(C)CCCO2)CC1 ZINC000167089444 372589049 /nfs/dbraw/zinc/58/90/49/372589049.db2.gz VTGUGHUPKKKHEB-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000167089444 372589052 /nfs/dbraw/zinc/58/90/52/372589052.db2.gz VTGUGHUPKKKHEB-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO CCN(Cc1sccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435387116 372756188 /nfs/dbraw/zinc/75/61/88/372756188.db2.gz XDSQHCBEYFNWIH-ZDUSSCGKSA-N 1 3 252.427 3.021 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550309 284347401 /nfs/dbraw/zinc/34/74/01/284347401.db2.gz NVSGPPWYHJEQSM-CVEARBPZSA-N 1 3 290.451 3.072 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550309 284347402 /nfs/dbraw/zinc/34/74/02/284347402.db2.gz NVSGPPWYHJEQSM-CVEARBPZSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550309 284347403 /nfs/dbraw/zinc/34/74/03/284347403.db2.gz NVSGPPWYHJEQSM-CVEARBPZSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550309 284347404 /nfs/dbraw/zinc/34/74/04/284347404.db2.gz NVSGPPWYHJEQSM-CVEARBPZSA-N 1 3 290.451 3.072 20 0 CGADHO Cc1ccsc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353500191 220121448 /nfs/dbraw/zinc/12/14/48/220121448.db2.gz WTVQLNBLNHFJGW-MGPQQGTHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353500191 220121450 /nfs/dbraw/zinc/12/14/50/220121450.db2.gz WTVQLNBLNHFJGW-MGPQQGTHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353500191 220121452 /nfs/dbraw/zinc/12/14/52/220121452.db2.gz WTVQLNBLNHFJGW-MGPQQGTHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000295884299 372948093 /nfs/dbraw/zinc/94/80/93/372948093.db2.gz HIXSCWOEUTUUIN-MMNRESRNSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000295884299 372948096 /nfs/dbraw/zinc/94/80/96/372948096.db2.gz HIXSCWOEUTUUIN-MMNRESRNSA-N 1 3 270.420 3.197 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCOc1cccc2ccccc21 ZINC000442766997 373075406 /nfs/dbraw/zinc/07/54/06/373075406.db2.gz PNJMNZWMBGKIFE-HOTGVXAUSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCOc1cccc2ccccc21 ZINC000442766997 373075408 /nfs/dbraw/zinc/07/54/08/373075408.db2.gz PNJMNZWMBGKIFE-HOTGVXAUSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442766997 373075410 /nfs/dbraw/zinc/07/54/10/373075410.db2.gz PNJMNZWMBGKIFE-HOTGVXAUSA-N 1 3 298.430 3.278 20 0 CGADHO Cc1ccc(SCCN2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442787073 373082011 /nfs/dbraw/zinc/08/20/11/373082011.db2.gz HELNFLPQGRYPEN-GJZGRUSLSA-N 1 3 278.465 3.065 20 0 CGADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000296545803 373171016 /nfs/dbraw/zinc/17/10/16/373171016.db2.gz UCPKECBKSFVNGX-ZIAGYGMSSA-N 1 3 296.480 3.036 20 0 CGADHO Cc1cnccc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000296599284 373189503 /nfs/dbraw/zinc/18/95/03/373189503.db2.gz YHRYRCVOEFZCCF-HOTGVXAUSA-N 1 3 289.467 3.238 20 0 CGADHO Fc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298239480 373293004 /nfs/dbraw/zinc/29/30/04/373293004.db2.gz CCCZLKXERBQKNQ-UHFFFAOYSA-N 1 3 299.393 3.022 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298441000 373329868 /nfs/dbraw/zinc/32/98/68/373329868.db2.gz NLGLZWXTMBXFJW-FAEJEUNOSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)NCCC[NH+]1CCCCC1 ZINC000445881798 373317045 /nfs/dbraw/zinc/31/70/45/373317045.db2.gz WABORQGMFCHVCW-ZDUSSCGKSA-N 1 3 280.378 3.429 20 0 CGADHO CC(C)c1ncc(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC000446890340 373376768 /nfs/dbraw/zinc/37/67/68/373376768.db2.gz JNBDKFCAFGHVFO-UHFFFAOYSA-N 1 3 293.480 3.231 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000174629041 373346202 /nfs/dbraw/zinc/34/62/02/373346202.db2.gz KVRXRZIQGZRNLH-DOMZBBRYSA-N 1 3 296.842 3.169 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCSC3)CC2)C1 ZINC000448029811 373538799 /nfs/dbraw/zinc/53/87/99/373538799.db2.gz RACIHVZAZXNGAY-VYDXJSESSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448056897 373543565 /nfs/dbraw/zinc/54/35/65/373543565.db2.gz SSSVQYSGLUYDHK-GASCZTMLSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449084403 373661934 /nfs/dbraw/zinc/66/19/34/373661934.db2.gz XPWYZBVRVDPDLC-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)([NH2+]CCCN1CCCC1)c1ccc(F)c(F)c1 ZINC000180871099 374054006 /nfs/dbraw/zinc/05/40/06/374054006.db2.gz KQPAOXKICJSUQQ-UHFFFAOYSA-N 1 3 282.378 3.275 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1c(F)cccc1F ZINC000310940785 374229842 /nfs/dbraw/zinc/22/98/42/374229842.db2.gz WOGXJMKVFFPPBN-MNOVXSKESA-N 1 3 256.340 3.133 20 0 CGADHO C[C@@H]([NH2+]CCC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000090118568 541957278 /nfs/dbraw/zinc/95/72/78/541957278.db2.gz AFCPFNGHRWYTNH-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000090858986 541964776 /nfs/dbraw/zinc/96/47/76/541964776.db2.gz ICVJVVBFOCLUIF-MSOLQXFVSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000090858986 541964780 /nfs/dbraw/zinc/96/47/80/541964780.db2.gz ICVJVVBFOCLUIF-MSOLQXFVSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccccc2C2CC2)CC[N@@H+]1C ZINC000094357977 541986240 /nfs/dbraw/zinc/98/62/40/541986240.db2.gz VVCDKLQDTAZVEP-CJNGLKHVSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357977 541986246 /nfs/dbraw/zinc/98/62/46/541986246.db2.gz VVCDKLQDTAZVEP-CJNGLKHVSA-N 1 3 258.409 3.136 20 0 CGADHO CC(C)C[N@@H+]1CC[C@@H](CNc2ccnc3ccccc32)C1 ZINC000465050742 374929818 /nfs/dbraw/zinc/92/98/18/374929818.db2.gz MPWAQUHWKYVFNG-HNNXBMFYSA-N 1 3 283.419 3.047 20 0 CGADHO CC(C)C[N@H+]1CC[C@@H](CNc2ccnc3ccccc32)C1 ZINC000465050742 374929825 /nfs/dbraw/zinc/92/98/25/374929825.db2.gz MPWAQUHWKYVFNG-HNNXBMFYSA-N 1 3 283.419 3.047 20 0 CGADHO CCc1cccc(Cl)c1CNCCCC[NH+](C)C ZINC000474381139 375102119 /nfs/dbraw/zinc/10/21/19/375102119.db2.gz VBWWTUOQIJICAK-UHFFFAOYSA-N 1 3 268.832 3.334 20 0 CGADHO CC(C)(C)CC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000188217318 375179179 /nfs/dbraw/zinc/17/91/79/375179179.db2.gz KJLDYBSSAJCJGM-UHFFFAOYSA-N 1 3 275.440 3.324 20 0 CGADHO CC(C)=CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000188445279 375216344 /nfs/dbraw/zinc/21/63/44/375216344.db2.gz SGGHYTHDNWXKCM-GBESFXJTSA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188445279 375216350 /nfs/dbraw/zinc/21/63/50/375216350.db2.gz SGGHYTHDNWXKCM-GBESFXJTSA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188445279 375216357 /nfs/dbraw/zinc/21/63/57/375216357.db2.gz SGGHYTHDNWXKCM-GBESFXJTSA-N 1 3 284.447 3.453 20 0 CGADHO Cn1cccc1[C@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000189093610 375323477 /nfs/dbraw/zinc/32/34/77/375323477.db2.gz ZLCAGNHLTSQGKV-QGZVFWFLSA-N 1 3 275.440 3.038 20 0 CGADHO Cn1cccc1[C@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000189093610 375323483 /nfs/dbraw/zinc/32/34/83/375323483.db2.gz ZLCAGNHLTSQGKV-QGZVFWFLSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@H]1C[C@H](NCC2=CC[NH2+]CC2)c2ccsc2S1 ZINC000335499797 375323985 /nfs/dbraw/zinc/32/39/85/375323985.db2.gz JWMMWHDDIFFSIQ-GWCFXTLKSA-N 1 3 280.462 3.183 20 0 CGADHO Cc1ccc2[nH]c(C[NH2+]C[C@H](C)CN(C)C)cc2c1C ZINC000491594146 375335995 /nfs/dbraw/zinc/33/59/95/375335995.db2.gz NDGMZBVRVZYQCR-LBPRGKRZSA-N 1 3 273.424 3.072 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335757347 375405025 /nfs/dbraw/zinc/40/50/25/375405025.db2.gz IRIKNSIHYJTGGC-RHSMWYFYSA-N 1 3 283.419 3.116 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc2cccnc12 ZINC000335757347 375405030 /nfs/dbraw/zinc/40/50/30/375405030.db2.gz IRIKNSIHYJTGGC-RHSMWYFYSA-N 1 3 283.419 3.116 20 0 CGADHO COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1C ZINC000335791551 375434200 /nfs/dbraw/zinc/43/42/00/375434200.db2.gz GCGUZHXLIZRKRP-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1C ZINC000335791551 375434203 /nfs/dbraw/zinc/43/42/03/375434203.db2.gz GCGUZHXLIZRKRP-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1C ZINC000335791551 375434210 /nfs/dbraw/zinc/43/42/10/375434210.db2.gz GCGUZHXLIZRKRP-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000335842054 375475698 /nfs/dbraw/zinc/47/56/98/375475698.db2.gz RWZCOSWAAKDKPZ-DGCLKSJQSA-N 1 3 260.406 3.070 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1coc2ccccc12 ZINC000336396700 375788380 /nfs/dbraw/zinc/78/83/80/375788380.db2.gz USWLPVOAZSMZCV-BBRMVZONSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1coc2ccccc12 ZINC000336396700 375788384 /nfs/dbraw/zinc/78/83/84/375788384.db2.gz USWLPVOAZSMZCV-BBRMVZONSA-N 1 3 272.392 3.205 20 0 CGADHO CC(C)OCc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000520564840 375864352 /nfs/dbraw/zinc/86/43/52/375864352.db2.gz DDVCHNGNQWSTBL-MSOLQXFVSA-N 1 3 290.451 3.361 20 0 CGADHO CN(CCSCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000193632745 375901366 /nfs/dbraw/zinc/90/13/66/375901366.db2.gz GJUUCOZOTXBBGO-UHFFFAOYSA-N 1 3 292.492 3.338 20 0 CGADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000336684565 375903128 /nfs/dbraw/zinc/90/31/28/375903128.db2.gz SUNKMFTXVWBASF-GWCFXTLKSA-N 1 3 285.229 3.085 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000193358824 375866751 /nfs/dbraw/zinc/86/67/51/375866751.db2.gz QISICTNTXINVKP-RHSMWYFYSA-N 1 3 275.440 3.081 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000193358824 375866769 /nfs/dbraw/zinc/86/67/69/375866769.db2.gz QISICTNTXINVKP-RHSMWYFYSA-N 1 3 275.440 3.081 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)c2ccccc21 ZINC000336812537 375965211 /nfs/dbraw/zinc/96/52/11/375965211.db2.gz RQINNUNVCQBIOV-WMLDXEAASA-N 1 3 258.409 3.310 20 0 CGADHO CCN(CC)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000336785697 375935871 /nfs/dbraw/zinc/93/58/71/375935871.db2.gz FNPGDQQMWWYAKD-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193911087 375938669 /nfs/dbraw/zinc/93/86/69/375938669.db2.gz QXMCYVRXPYSPEY-SJORKVTESA-N 1 3 292.492 3.382 20 0 CGADHO C[NH+](C)[C@H]1CCC[C@@H](NCCSCc2ccccc2)C1 ZINC000193911087 375938675 /nfs/dbraw/zinc/93/86/75/375938675.db2.gz QXMCYVRXPYSPEY-SJORKVTESA-N 1 3 292.492 3.382 20 0 CGADHO CC[C@H](Cc1ccccc1)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000535468155 376038119 /nfs/dbraw/zinc/03/81/19/376038119.db2.gz HTYNGEXWEJWRDY-QZTJIDSGSA-N 1 3 274.452 3.424 20 0 CGADHO CC[C@H](Cc1ccccc1)N(C)CC[C@H]1CCC[N@H+]1C ZINC000535468155 376038125 /nfs/dbraw/zinc/03/81/25/376038125.db2.gz HTYNGEXWEJWRDY-QZTJIDSGSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@H]([N@H+](C)Cc1ccc2c(c1)CNCC2)C(C)(C)C ZINC000211949873 376137052 /nfs/dbraw/zinc/13/70/52/376137052.db2.gz VQDTWMBGQPWJKA-ZDUSSCGKSA-N 1 3 260.425 3.199 20 0 CGADHO C[C@H]([N@@H+](C)Cc1ccc2c(c1)CNCC2)C(C)(C)C ZINC000211949873 376137056 /nfs/dbraw/zinc/13/70/56/376137056.db2.gz VQDTWMBGQPWJKA-ZDUSSCGKSA-N 1 3 260.425 3.199 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000222955805 376244221 /nfs/dbraw/zinc/24/42/21/376244221.db2.gz XMVNLNVWOJXCDK-MBNYWOFBSA-N 1 3 262.422 3.083 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](CN(C)CC3CC3)C2)C1 ZINC000538953589 376281620 /nfs/dbraw/zinc/28/16/20/376281620.db2.gz IFTWNCHCPNVTSJ-NXHRZFHOSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](CN(C)CC3CC3)C2)C1 ZINC000538953589 376281623 /nfs/dbraw/zinc/28/16/23/376281623.db2.gz IFTWNCHCPNVTSJ-NXHRZFHOSA-N 1 3 278.484 3.476 20 0 CGADHO c1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000228046321 376425439 /nfs/dbraw/zinc/42/54/39/376425439.db2.gz HUPDLWDNPKVMDY-KBPBESRZSA-N 1 3 267.376 3.274 20 0 CGADHO c1ccc2c(c1)nccc2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000228046321 376425443 /nfs/dbraw/zinc/42/54/43/376425443.db2.gz HUPDLWDNPKVMDY-KBPBESRZSA-N 1 3 267.376 3.274 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000263258027 190067338 /nfs/dbraw/zinc/06/73/38/190067338.db2.gz RLYYXBVLWVDFNF-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC000542549176 376558019 /nfs/dbraw/zinc/55/80/19/376558019.db2.gz AOZPZBZKDVKYRL-ROUUACIJSA-N 1 3 292.442 3.467 20 0 CGADHO c1coc(CNCCCCCCC[NH+]2CCCC2)c1 ZINC000264373744 190105571 /nfs/dbraw/zinc/10/55/71/190105571.db2.gz MPRMEOGLNRAWOP-UHFFFAOYSA-N 1 3 264.413 3.416 20 0 CGADHO Cc1cccc(CCC[NH+]2CCC3(CCCN3C)CC2)c1 ZINC000544126197 376708086 /nfs/dbraw/zinc/70/80/86/376708086.db2.gz AEGXTDTZPYZKQD-UHFFFAOYSA-N 1 3 286.463 3.488 20 0 CGADHO CC[C@@H](NCCCCC[NH+]1CCCCC1)c1ccn(C)n1 ZINC000544567983 376744573 /nfs/dbraw/zinc/74/45/73/376744573.db2.gz KXNUKWSZCJBCGQ-MRXNPFEDSA-N 1 3 292.471 3.117 20 0 CGADHO Cc1cccc([C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151302560 542101723 /nfs/dbraw/zinc/10/17/23/542101723.db2.gz IYHUZSCRYANOCT-INIZCTEOSA-N 1 3 281.403 3.273 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000152966588 542110137 /nfs/dbraw/zinc/11/01/37/542110137.db2.gz ZAHWJZKUKKKPGP-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000152966588 542110139 /nfs/dbraw/zinc/11/01/39/542110139.db2.gz ZAHWJZKUKKKPGP-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000246912733 377116467 /nfs/dbraw/zinc/11/64/67/377116467.db2.gz FTPWXMSGEOTARI-VYDXJSESSA-N 1 3 292.492 3.487 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000246912733 377116481 /nfs/dbraw/zinc/11/64/81/377116481.db2.gz FTPWXMSGEOTARI-VYDXJSESSA-N 1 3 292.492 3.487 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1c1ccccc1 ZINC000246669073 377069851 /nfs/dbraw/zinc/06/98/51/377069851.db2.gz FHLXFZMBOVDLIX-IRXDYDNUSA-N 1 3 258.409 3.308 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1c1ccccc1 ZINC000246669073 377069859 /nfs/dbraw/zinc/06/98/59/377069859.db2.gz FHLXFZMBOVDLIX-IRXDYDNUSA-N 1 3 258.409 3.308 20 0 CGADHO CCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246960465 377126823 /nfs/dbraw/zinc/12/68/23/377126823.db2.gz UXOLYCVQZQQPIM-HOCLYGCPSA-N 1 3 250.430 3.125 20 0 CGADHO CCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246960465 377126826 /nfs/dbraw/zinc/12/68/26/377126826.db2.gz UXOLYCVQZQQPIM-HOCLYGCPSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000560243212 377133573 /nfs/dbraw/zinc/13/35/73/377133573.db2.gz BRXJASDZHXXPIT-OIISXLGYSA-N 1 3 290.451 3.162 20 0 CGADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247032735 377144823 /nfs/dbraw/zinc/14/48/23/377144823.db2.gz MGNKKCIKHZXIHO-WBVHZDCISA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247032735 377144831 /nfs/dbraw/zinc/14/48/31/377144831.db2.gz MGNKKCIKHZXIHO-WBVHZDCISA-N 1 3 292.471 3.115 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cs1 ZINC000247032863 377145624 /nfs/dbraw/zinc/14/56/24/377145624.db2.gz NPEBBMRTQVGIOV-GZBFAFLISA-N 1 3 295.496 3.127 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cs1 ZINC000247032863 377145629 /nfs/dbraw/zinc/14/56/29/377145629.db2.gz NPEBBMRTQVGIOV-GZBFAFLISA-N 1 3 295.496 3.127 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)s1 ZINC000560515263 377163973 /nfs/dbraw/zinc/16/39/73/377163973.db2.gz WOCVDAVKBCLRNA-BZUAXINKSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000560515263 377163982 /nfs/dbraw/zinc/16/39/82/377163982.db2.gz WOCVDAVKBCLRNA-BZUAXINKSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000560515263 377163990 /nfs/dbraw/zinc/16/39/90/377163990.db2.gz WOCVDAVKBCLRNA-BZUAXINKSA-N 1 3 278.465 3.273 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554681 377171263 /nfs/dbraw/zinc/17/12/63/377171263.db2.gz HUEIMNBVAITKMW-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554681 377171270 /nfs/dbraw/zinc/17/12/70/377171270.db2.gz HUEIMNBVAITKMW-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(C)cc2)C1 ZINC000247187387 377174700 /nfs/dbraw/zinc/17/47/00/377174700.db2.gz VPSADLOLGMOEKZ-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C)cc2)C1 ZINC000247187387 377174707 /nfs/dbraw/zinc/17/47/07/377174707.db2.gz VPSADLOLGMOEKZ-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000247187387 377174718 /nfs/dbraw/zinc/17/47/18/377174718.db2.gz VPSADLOLGMOEKZ-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CC(CN(C)[C@H](C)C1CC1)C[N@H+](C)[C@H](C)C1CC1 ZINC000561564952 377231872 /nfs/dbraw/zinc/23/18/72/377231872.db2.gz KTBIXZLXDDRXEK-ZIAGYGMSSA-N 1 3 252.446 3.083 20 0 CGADHO CC(CN(C)[C@H](C)C1CC1)C[N@@H+](C)[C@H](C)C1CC1 ZINC000561564952 377231875 /nfs/dbraw/zinc/23/18/75/377231875.db2.gz KTBIXZLXDDRXEK-ZIAGYGMSSA-N 1 3 252.446 3.083 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247975717 377253828 /nfs/dbraw/zinc/25/38/28/377253828.db2.gz KRXLGKRJNBQIAO-LSDHHAIUSA-N 1 3 278.465 3.159 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247975717 377253831 /nfs/dbraw/zinc/25/38/31/377253831.db2.gz KRXLGKRJNBQIAO-LSDHHAIUSA-N 1 3 278.465 3.159 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000247415230 377203413 /nfs/dbraw/zinc/20/34/13/377203413.db2.gz ZVTDWFUGOIXPFA-CVEARBPZSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000248179054 377276477 /nfs/dbraw/zinc/27/64/77/377276477.db2.gz WBUPKVAAZFBCIZ-NXHRZFHOSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000248179054 377276483 /nfs/dbraw/zinc/27/64/83/377276483.db2.gz WBUPKVAAZFBCIZ-NXHRZFHOSA-N 1 3 272.436 3.206 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000248757155 377396283 /nfs/dbraw/zinc/39/62/83/377396283.db2.gz CRWFDDSMMCVEMS-QAPCUYQASA-N 1 3 289.467 3.328 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000248757155 377396290 /nfs/dbraw/zinc/39/62/90/377396290.db2.gz CRWFDDSMMCVEMS-QAPCUYQASA-N 1 3 289.467 3.328 20 0 CGADHO Cc1ccc(C[C@@H]2CCCN(C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137725 377408556 /nfs/dbraw/zinc/40/85/56/377408556.db2.gz LMQDXVVBJFBOJC-RBUKOAKNSA-N 1 3 286.463 3.249 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCCC[C@@H]31)CNCC2 ZINC000162818277 542165417 /nfs/dbraw/zinc/16/54/17/542165417.db2.gz XGPRGMPYWNLWCJ-WMZOPIPTSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc2c(cc1C[N@H+]1CC[C@@H]3CCCC[C@@H]31)CNCC2 ZINC000162818277 542165421 /nfs/dbraw/zinc/16/54/21/542165421.db2.gz XGPRGMPYWNLWCJ-WMZOPIPTSA-N 1 3 270.420 3.097 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccccc1Cl ZINC000349661327 284640149 /nfs/dbraw/zinc/64/01/49/284640149.db2.gz FJDOQKJNCGHILM-AWEZNQCLSA-N 1 3 298.858 3.349 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cccc(OC)c1F ZINC000165787304 542172335 /nfs/dbraw/zinc/17/23/35/542172335.db2.gz SJMMYZAJSRTVAB-AWEZNQCLSA-N 1 3 296.430 3.434 20 0 CGADHO CCC[N@H+](C/C=C/c1ccc(F)cc1)C1CCNCC1 ZINC000469992617 249166078 /nfs/dbraw/zinc/16/60/78/249166078.db2.gz SEJDUWZXXJWZFD-ONEGZZNKSA-N 1 3 276.399 3.303 20 0 CGADHO CCC[N@@H+](C/C=C/c1ccc(F)cc1)C1CCNCC1 ZINC000469992617 249166081 /nfs/dbraw/zinc/16/60/81/249166081.db2.gz SEJDUWZXXJWZFD-ONEGZZNKSA-N 1 3 276.399 3.303 20 0 CGADHO CC(C)c1ccc(OCCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000518397830 249280629 /nfs/dbraw/zinc/28/06/29/249280629.db2.gz WJGWQKSVVRSZDX-CVEARBPZSA-N 1 3 276.424 3.048 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000180131206 542205611 /nfs/dbraw/zinc/20/56/11/542205611.db2.gz ADDPCEMPKFULOD-KBPBESRZSA-N 1 3 278.444 3.023 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000180131206 542205613 /nfs/dbraw/zinc/20/56/13/542205613.db2.gz ADDPCEMPKFULOD-KBPBESRZSA-N 1 3 278.444 3.023 20 0 CGADHO C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)CN1CCCC1 ZINC000252206265 377617697 /nfs/dbraw/zinc/61/76/97/377617697.db2.gz XEVBHHSDAWKWPL-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc2ccccc2c1 ZINC000252890931 377669864 /nfs/dbraw/zinc/66/98/64/377669864.db2.gz JDTBKFNTSCXPBX-RDTXWAMCSA-N 1 3 268.404 3.270 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc2ccccc2c1 ZINC000252890931 377669867 /nfs/dbraw/zinc/66/98/67/377669867.db2.gz JDTBKFNTSCXPBX-RDTXWAMCSA-N 1 3 268.404 3.270 20 0 CGADHO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261587677 377823359 /nfs/dbraw/zinc/82/33/59/377823359.db2.gz VCEYABINVFWZMW-JKJDWNRSSA-N 1 3 250.430 3.075 20 0 CGADHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000261587677 377823365 /nfs/dbraw/zinc/82/33/65/377823365.db2.gz VCEYABINVFWZMW-JKJDWNRSSA-N 1 3 250.430 3.075 20 0 CGADHO COc1ccc2cc(CN3CC[C@@](C)(C[NH3+])C3)ccc2c1 ZINC000261598231 377825520 /nfs/dbraw/zinc/82/55/20/377825520.db2.gz AVNFXRNIJLMCOE-SFHVURJKSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc2cc(C[N@@H+]3CC[C@@](C)(CN)C3)ccc2c1 ZINC000261598231 377825529 /nfs/dbraw/zinc/82/55/29/377825529.db2.gz AVNFXRNIJLMCOE-SFHVURJKSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc2cc(C[N@H+]3CC[C@@](C)(CN)C3)ccc2c1 ZINC000261598231 377825539 /nfs/dbraw/zinc/82/55/39/377825539.db2.gz AVNFXRNIJLMCOE-SFHVURJKSA-N 1 3 284.403 3.019 20 0 CGADHO C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000261941765 377871855 /nfs/dbraw/zinc/87/18/55/377871855.db2.gz DTEVYZFTAWYMLH-KBAYOESNSA-N 1 3 272.436 3.112 20 0 CGADHO CCCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000262089189 377887224 /nfs/dbraw/zinc/88/72/24/377887224.db2.gz UPIPHJOTHQTQDF-QZTJIDSGSA-N 1 3 272.436 3.386 20 0 CGADHO Cc1cccc(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)c1 ZINC000262215213 377890091 /nfs/dbraw/zinc/89/00/91/377890091.db2.gz MBVCXJGFNNNFLT-MOPGFXCFSA-N 1 3 280.415 3.169 20 0 CGADHO Cc1cccc(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)c1 ZINC000262215213 377890099 /nfs/dbraw/zinc/89/00/99/377890099.db2.gz MBVCXJGFNNNFLT-MOPGFXCFSA-N 1 3 280.415 3.169 20 0 CGADHO CC(C)CN(CCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261733142 377846911 /nfs/dbraw/zinc/84/69/11/377846911.db2.gz HMXIWFXMVZZZFR-GOSISDBHSA-N 1 3 274.452 3.187 20 0 CGADHO Cc1cc(F)ccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261787741 377853263 /nfs/dbraw/zinc/85/32/63/377853263.db2.gz URPWDYLWDZZOGC-MJGOQNOKSA-N 1 3 298.405 3.308 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)COC2 ZINC000268720054 378094936 /nfs/dbraw/zinc/09/49/36/378094936.db2.gz IENNTBOPBHHHRM-OAHLLOKOSA-N 1 3 288.435 3.243 20 0 CGADHO CCc1ccc(CN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000345177387 378214413 /nfs/dbraw/zinc/21/44/13/378214413.db2.gz HWFBPBRRGDYAFB-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271904015 378511340 /nfs/dbraw/zinc/51/13/40/378511340.db2.gz WCSHUELDYVTRBS-FZKQIMNGSA-N 1 3 288.410 3.301 20 0 CGADHO C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272252847 378596428 /nfs/dbraw/zinc/59/64/28/378596428.db2.gz YORKZKRLCWIIMJ-APWZRJJASA-N 1 3 295.430 3.082 20 0 CGADHO CN(Cc1cccc(-c2cccnc2)c1)CC(C)(C)C[NH3+] ZINC000346692720 378677243 /nfs/dbraw/zinc/67/72/43/378677243.db2.gz IMKXWSBRIJONHA-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[N@H+](Cc1cccc(-c2cccnc2)c1)CC(C)(C)CN ZINC000346692720 378677246 /nfs/dbraw/zinc/67/72/46/378677246.db2.gz IMKXWSBRIJONHA-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[N@@H+](Cc1cccc(-c2cccnc2)c1)CC(C)(C)CN ZINC000346692720 378677253 /nfs/dbraw/zinc/67/72/53/378677253.db2.gz IMKXWSBRIJONHA-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000347938373 378734564 /nfs/dbraw/zinc/73/45/64/378734564.db2.gz SGVIZSOGXNJOGT-HIFRSBDPSA-N 1 3 250.430 3.029 20 0 CGADHO CCCCOCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922425 378729608 /nfs/dbraw/zinc/72/96/08/378729608.db2.gz CLKLUXSTKOYTGU-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922425 378729613 /nfs/dbraw/zinc/72/96/13/378729613.db2.gz CLKLUXSTKOYTGU-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347922425 378729616 /nfs/dbraw/zinc/72/96/16/378729616.db2.gz CLKLUXSTKOYTGU-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000638377538 378784190 /nfs/dbraw/zinc/78/41/90/378784190.db2.gz PVCBNEXYFHRPCC-RDGPPVDQSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000638377538 378784195 /nfs/dbraw/zinc/78/41/95/378784195.db2.gz PVCBNEXYFHRPCC-RDGPPVDQSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)CN1CCCC1 ZINC000348242154 378858687 /nfs/dbraw/zinc/85/86/87/378858687.db2.gz KITRBVJXBWIFLQ-NXHRZFHOSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000274932847 378921597 /nfs/dbraw/zinc/92/15/97/378921597.db2.gz RGOBTASOGVQTBH-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO CSc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275303969 378956024 /nfs/dbraw/zinc/95/60/24/378956024.db2.gz QOZKLYDOQVTRIM-CZUORRHYSA-N 1 3 278.465 3.181 20 0 CGADHO CSc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275303969 378956027 /nfs/dbraw/zinc/95/60/27/378956027.db2.gz QOZKLYDOQVTRIM-CZUORRHYSA-N 1 3 278.465 3.181 20 0 CGADHO CCC[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)OC ZINC000638968497 378961258 /nfs/dbraw/zinc/96/12/58/378961258.db2.gz AXEXMBOZDQBPLX-YQQAZPJKSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638968497 378961263 /nfs/dbraw/zinc/96/12/63/378961263.db2.gz AXEXMBOZDQBPLX-YQQAZPJKSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968497 378961268 /nfs/dbraw/zinc/96/12/68/378961268.db2.gz AXEXMBOZDQBPLX-YQQAZPJKSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000347180594 218147378 /nfs/dbraw/zinc/14/73/78/218147378.db2.gz UZOBCJQRJZHKOD-NVXWUHKLSA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000347180594 218147379 /nfs/dbraw/zinc/14/73/79/218147379.db2.gz UZOBCJQRJZHKOD-NVXWUHKLSA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347180594 218147380 /nfs/dbraw/zinc/14/73/80/218147380.db2.gz UZOBCJQRJZHKOD-NVXWUHKLSA-N 1 3 260.425 3.241 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)CCCCC1 ZINC000421819595 284741214 /nfs/dbraw/zinc/74/12/14/284741214.db2.gz HXGDIXPUHCPNKW-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277231270 379104188 /nfs/dbraw/zinc/10/41/88/379104188.db2.gz OTGDNCZZUZQCMX-MRXNPFEDSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277231270 379104193 /nfs/dbraw/zinc/10/41/93/379104193.db2.gz OTGDNCZZUZQCMX-MRXNPFEDSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277231270 379104196 /nfs/dbraw/zinc/10/41/96/379104196.db2.gz OTGDNCZZUZQCMX-MRXNPFEDSA-N 1 3 260.425 3.220 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cc(C)c(O)c(C)c1 ZINC000349359768 379246541 /nfs/dbraw/zinc/24/65/41/379246541.db2.gz ZZSLPGJVFCXNRG-UHFFFAOYSA-N 1 3 278.440 3.173 20 0 CGADHO C([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639338324 379292258 /nfs/dbraw/zinc/29/22/58/379292258.db2.gz UDLMIQGBPROJEJ-ZJPYXAASSA-N 1 3 276.468 3.134 20 0 CGADHO CCSc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000349644855 379329231 /nfs/dbraw/zinc/32/92/31/379329231.db2.gz IWHRXUWDMSNNJC-BBRMVZONSA-N 1 3 278.465 3.228 20 0 CGADHO CCSc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000349644855 379329237 /nfs/dbraw/zinc/32/92/37/379329237.db2.gz IWHRXUWDMSNNJC-BBRMVZONSA-N 1 3 278.465 3.228 20 0 CGADHO CCSc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000349644857 379329831 /nfs/dbraw/zinc/32/98/31/379329831.db2.gz IWHRXUWDMSNNJC-CZUORRHYSA-N 1 3 278.465 3.228 20 0 CGADHO CCSc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000349644857 379329836 /nfs/dbraw/zinc/32/98/36/379329836.db2.gz IWHRXUWDMSNNJC-CZUORRHYSA-N 1 3 278.465 3.228 20 0 CGADHO CCC[NH+]1CCC(CNCc2cccc(OC)c2F)CC1 ZINC000192679640 542268260 /nfs/dbraw/zinc/26/82/60/542268260.db2.gz KWWCBKVRQGNXCP-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](C)CC(C)(C)SC)CCN1 ZINC001246455827 804337206 /nfs/dbraw/zinc/33/72/06/804337206.db2.gz KLUSWIKXFDGPKM-OCCSQVGLSA-N 1 3 258.475 3.028 20 0 CGADHO Cc1ccccc1[C@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278341035 379354990 /nfs/dbraw/zinc/35/49/90/379354990.db2.gz AHURLXQSSNVKQN-SJORKVTESA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccccc1[C@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278341035 379354997 /nfs/dbraw/zinc/35/49/97/379354997.db2.gz AHURLXQSSNVKQN-SJORKVTESA-N 1 3 290.451 3.147 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000278345166 379355515 /nfs/dbraw/zinc/35/55/15/379355515.db2.gz YCAIUNXZXGBYCR-ALOPSCKCSA-N 1 3 288.435 3.189 20 0 CGADHO CN1CCCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000351331697 379713695 /nfs/dbraw/zinc/71/36/95/379713695.db2.gz SFBKINOAWPZYEC-CYBMUJFWSA-N 1 3 278.362 3.135 20 0 CGADHO Cc1ccncc1C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000280833957 379804116 /nfs/dbraw/zinc/80/41/16/379804116.db2.gz JXYKWGADMBXLHN-QGZVFWFLSA-N 1 3 297.446 3.390 20 0 CGADHO Cc1ccncc1CN(C)CCCC[NH+]1CCCCC1 ZINC000640533509 379819777 /nfs/dbraw/zinc/81/97/77/379819777.db2.gz UAAJYFGLQNEJPH-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO Cc1noc(C)c1CCN(C)CCCC[NH+]1CCCCC1 ZINC000640532615 379820175 /nfs/dbraw/zinc/82/01/75/379820175.db2.gz HCAVYZRDTBBSEY-UHFFFAOYSA-N 1 3 293.455 3.032 20 0 CGADHO Cc1cc([C@H](C)NCC2(C)CC[NH+](C)CC2)oc1C ZINC000282737301 379979463 /nfs/dbraw/zinc/97/94/63/379979463.db2.gz MXDMGFMZKCKJJV-ZDUSSCGKSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@@H](F)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821296 379980508 /nfs/dbraw/zinc/98/05/08/379980508.db2.gz ANPWQYDESYJACZ-SJLPKXTDSA-N 1 3 290.426 3.333 20 0 CGADHO C[C@@H](F)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821296 379980510 /nfs/dbraw/zinc/98/05/10/379980510.db2.gz ANPWQYDESYJACZ-SJLPKXTDSA-N 1 3 290.426 3.333 20 0 CGADHO CCc1ccc(CNCCCC[NH+]2CCC(C)CC2)cn1 ZINC000352766483 379948716 /nfs/dbraw/zinc/94/87/16/379948716.db2.gz XHOGPGAFLMOZOZ-UHFFFAOYSA-N 1 3 289.467 3.246 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCO1 ZINC000352972966 380061411 /nfs/dbraw/zinc/06/14/11/380061411.db2.gz ZMCUZIOEDCJRPD-TVFCKZIOSA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000352972966 380061415 /nfs/dbraw/zinc/06/14/15/380061415.db2.gz ZMCUZIOEDCJRPD-TVFCKZIOSA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000352972966 380061419 /nfs/dbraw/zinc/06/14/19/380061419.db2.gz ZMCUZIOEDCJRPD-TVFCKZIOSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000410391864 380093812 /nfs/dbraw/zinc/09/38/12/380093812.db2.gz NFIGOXWHLBHOQF-NVXWUHKLSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000410391864 380093814 /nfs/dbraw/zinc/09/38/14/380093814.db2.gz NFIGOXWHLBHOQF-NVXWUHKLSA-N 1 3 266.473 3.332 20 0 CGADHO Cc1ccc(CCC[NH2+]CCCN2CCCC[C@H]2C)cn1 ZINC000353945811 380247682 /nfs/dbraw/zinc/24/76/82/380247682.db2.gz RXTIELCMMCEMKV-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccc(CCCNCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000353945811 380247686 /nfs/dbraw/zinc/24/76/86/380247686.db2.gz RXTIELCMMCEMKV-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccc(CCCNCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000353945811 380247690 /nfs/dbraw/zinc/24/76/90/380247690.db2.gz RXTIELCMMCEMKV-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO C[C@@H](NC1CCC([NH3+])CC1)c1ncc(-c2ccccc2)n1C ZINC000643503564 380326053 /nfs/dbraw/zinc/32/60/53/380326053.db2.gz BJRODARQEHRTRL-IUDNXUCKSA-N 1 3 298.434 3.008 20 0 CGADHO c1c[nH]c([C@H](NCC[C@@H]2CCC[NH2+]C2)C2CCCCC2)n1 ZINC000643510696 380332258 /nfs/dbraw/zinc/33/22/58/380332258.db2.gz RUSQBDXVAWGHRP-GOEBONIOSA-N 1 3 290.455 3.010 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000643512063 380333384 /nfs/dbraw/zinc/33/33/84/380333384.db2.gz GHVDLYGTCHBFGS-JQAFLVLXSA-N 1 3 280.362 3.059 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548443 380365390 /nfs/dbraw/zinc/36/53/90/380365390.db2.gz PLEPTNXHCWZZRW-HZSPNIEDSA-N 1 3 250.430 3.075 20 0 CGADHO COc1ccc(Cl)cc1CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673144 380365471 /nfs/dbraw/zinc/36/54/71/380365471.db2.gz BVWSYZYPWRGVKB-CHWSQXEVSA-N 1 3 296.842 3.169 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(OC)cc2)C[C@H]1C ZINC000354226445 380369620 /nfs/dbraw/zinc/36/96/20/380369620.db2.gz WDRGZNXFHQNMOI-NVXWUHKLSA-N 1 3 290.451 3.042 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(OC)cc2)C[C@H]1C ZINC000354226445 380369625 /nfs/dbraw/zinc/36/96/25/380369625.db2.gz WDRGZNXFHQNMOI-NVXWUHKLSA-N 1 3 290.451 3.042 20 0 CGADHO CN(CCC[NH3+])Cc1ccccc1-c1ccccc1 ZINC000414717519 380385703 /nfs/dbraw/zinc/38/57/03/380385703.db2.gz ZPAMZROFJIFXRK-UHFFFAOYSA-N 1 3 254.377 3.134 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCCNCC1 ZINC000643521756 380338134 /nfs/dbraw/zinc/33/81/34/380338134.db2.gz BFSGAIAMBQNFAP-WFASDCNBSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000643521756 380338144 /nfs/dbraw/zinc/33/81/44/380338144.db2.gz BFSGAIAMBQNFAP-WFASDCNBSA-N 1 3 282.378 3.018 20 0 CGADHO CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526311 380342850 /nfs/dbraw/zinc/34/28/50/380342850.db2.gz ZACOQCCVHDKHHF-KGLIPLIRSA-N 1 3 264.413 3.253 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C)[NH3+] ZINC000643528635 380344571 /nfs/dbraw/zinc/34/45/71/380344571.db2.gz MHFPNRAGXJZWBZ-JOYOIKCWSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000643533855 380348477 /nfs/dbraw/zinc/34/84/77/380348477.db2.gz FZIDSRLSJJZZKQ-SMDDNHRTSA-N 1 3 264.800 3.133 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000643546040 380357557 /nfs/dbraw/zinc/35/75/57/380357557.db2.gz HHKVTVWLCKQANU-GDBMZVCRSA-N 1 3 258.409 3.320 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546434 380359503 /nfs/dbraw/zinc/35/95/03/380359503.db2.gz ORBFELADSIGLBA-GJZGRUSLSA-N 1 3 250.430 3.386 20 0 CGADHO c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546179 380359605 /nfs/dbraw/zinc/35/96/05/380359605.db2.gz JZHYCNPONOSRTF-JSGCOSHPSA-N 1 3 276.449 3.390 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414825396 380433928 /nfs/dbraw/zinc/43/39/28/380433928.db2.gz SNXSZAZIKIIINQ-IIAWOOMASA-N 1 3 278.415 3.125 20 0 CGADHO c1cc(-c2ccccc2)oc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414843598 380449633 /nfs/dbraw/zinc/44/96/33/380449633.db2.gz QIGDLGUJABEJGO-OAHLLOKOSA-N 1 3 284.403 3.426 20 0 CGADHO CCOc1c(Cl)cccc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414846713 380451552 /nfs/dbraw/zinc/45/15/52/380451552.db2.gz UXQZJNWIRXYMBL-ZDUSSCGKSA-N 1 3 296.842 3.218 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784186 380403375 /nfs/dbraw/zinc/40/33/75/380403375.db2.gz QWIJCSBEEIZSIM-HZPDHXFCSA-N 1 3 292.854 3.470 20 0 CGADHO CC(C)c1ncc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414782744 380403549 /nfs/dbraw/zinc/40/35/49/380403549.db2.gz OTXGEEJYGYEILN-UONOGXRCSA-N 1 3 293.480 3.088 20 0 CGADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414787731 380405293 /nfs/dbraw/zinc/40/52/93/380405293.db2.gz CMFSYQBUDZVHIR-HNNXBMFYSA-N 1 3 274.433 3.488 20 0 CGADHO CC(C)(N)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414801384 380414461 /nfs/dbraw/zinc/41/44/61/380414461.db2.gz JERJOSGYESCADB-UHFFFAOYSA-N 1 3 260.406 3.242 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414804843 380417804 /nfs/dbraw/zinc/41/78/04/380417804.db2.gz PDNKLLXYBGJUOZ-IUODEOHRSA-N 1 3 266.816 3.256 20 0 CGADHO CCCOc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414809964 380422782 /nfs/dbraw/zinc/42/27/82/380422782.db2.gz UYDAFOYMSQGAII-NVXWUHKLSA-N 1 3 276.424 3.083 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000414925843 380491228 /nfs/dbraw/zinc/49/12/28/380491228.db2.gz MLFDZSMDNFNXRR-OLZOCXBDSA-N 1 3 273.207 3.353 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000414940892 380497958 /nfs/dbraw/zinc/49/79/58/380497958.db2.gz KWSGMWDDTFZKSA-XIRDDKMYSA-N 1 3 260.425 3.014 20 0 CGADHO Cc1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000415053989 380506710 /nfs/dbraw/zinc/50/67/10/380506710.db2.gz PHYVFVBCOGSABY-ZBFHGGJFSA-N 1 3 278.465 3.329 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(-c2ccccc2)s1 ZINC000414878366 380471975 /nfs/dbraw/zinc/47/19/75/380471975.db2.gz HGWCNMLVAVCHLL-GFCCVEGCSA-N 1 3 260.406 3.242 20 0 CGADHO C[C@H](CCN)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414890036 380476146 /nfs/dbraw/zinc/47/61/46/380476146.db2.gz GZOFMGSRZIXXDQ-GFCCVEGCSA-N 1 3 288.357 3.355 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(OCCN(C)C)cc1 ZINC000417344296 380599524 /nfs/dbraw/zinc/59/95/24/380599524.db2.gz VUKDPXCJGXZHAK-GOEBONIOSA-N 1 3 288.435 3.078 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421323635 380874172 /nfs/dbraw/zinc/87/41/72/380874172.db2.gz ITCNHUHAENRGDI-HNNXBMFYSA-N 1 3 264.457 3.421 20 0 CGADHO FC(F)c1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000334783833 207068670 /nfs/dbraw/zinc/06/86/70/207068670.db2.gz CVLPLXDWFHHQCN-UHFFFAOYSA-N 1 3 280.362 3.200 20 0 CGADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334866773 207212623 /nfs/dbraw/zinc/21/26/23/207212623.db2.gz CJFWQTPOHXKRRU-DZGCQCFKSA-N 1 3 264.438 3.021 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2SCCc3ccccc32)CC[N@@H+]1C ZINC000361967768 381878555 /nfs/dbraw/zinc/87/85/55/381878555.db2.gz WSXKWVKELWYQEH-UNEWFSDZSA-N 1 3 290.476 3.089 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967768 381878562 /nfs/dbraw/zinc/87/85/62/381878562.db2.gz WSXKWVKELWYQEH-UNEWFSDZSA-N 1 3 290.476 3.089 20 0 CGADHO Cc1cc(C)c2c(c1)C[N@H+](CC[C@@H]1CCCN1C)CC2 ZINC000362595474 382072804 /nfs/dbraw/zinc/07/28/04/382072804.db2.gz DBYAGGHLVNIYFP-KRWDZBQOSA-N 1 3 272.436 3.146 20 0 CGADHO Cc1cc(C)c2c(c1)C[N@@H+](CC[C@@H]1CCCN1C)CC2 ZINC000362595474 382072809 /nfs/dbraw/zinc/07/28/09/382072809.db2.gz DBYAGGHLVNIYFP-KRWDZBQOSA-N 1 3 272.436 3.146 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC000230126467 542302837 /nfs/dbraw/zinc/30/28/37/542302837.db2.gz TWKYPWZGCJWARK-OKZBNKHCSA-N 1 3 270.420 3.123 20 0 CGADHO Cc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)c(Cl)c1 ZINC000235173923 542311821 /nfs/dbraw/zinc/31/18/21/542311821.db2.gz SRKMMUKRSDHGII-GFCCVEGCSA-N 1 3 266.816 3.208 20 0 CGADHO CC[C@@H]1CN(Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251772867 542347584 /nfs/dbraw/zinc/34/75/84/542347584.db2.gz MOVAJHWARFJCDX-RDTXWAMCSA-N 1 3 268.404 3.399 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353775270 220322923 /nfs/dbraw/zinc/32/29/23/220322923.db2.gz KZYKSYCPJJRNQF-JKIFEVAISA-N 1 3 276.424 3.076 20 0 CGADHO Cc1ccncc1CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000289331580 197299414 /nfs/dbraw/zinc/29/94/14/197299414.db2.gz UYNVAAWHIZTJTO-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO Cc1ccncc1CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000289331580 197299416 /nfs/dbraw/zinc/29/94/16/197299416.db2.gz UYNVAAWHIZTJTO-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000502415238 285146251 /nfs/dbraw/zinc/14/62/51/285146251.db2.gz LWFKMVDBXSJIQF-BZSNNMDCSA-N 1 3 296.499 3.149 20 0 CGADHO COc1cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)ccc1F ZINC000152513524 533114531 /nfs/dbraw/zinc/11/45/31/533114531.db2.gz AMFIKLUANJPYQL-GFCCVEGCSA-N 1 3 282.403 3.073 20 0 CGADHO C/C=C/C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309724572 542425809 /nfs/dbraw/zinc/42/58/09/542425809.db2.gz PDYGBRBGTKPYTC-GILVVUIESA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C/CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309724572 542425814 /nfs/dbraw/zinc/42/58/14/542425814.db2.gz PDYGBRBGTKPYTC-GILVVUIESA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C/CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724572 542425818 /nfs/dbraw/zinc/42/58/18/542425818.db2.gz PDYGBRBGTKPYTC-GILVVUIESA-N 1 3 258.409 3.063 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000309761271 542426197 /nfs/dbraw/zinc/42/61/97/542426197.db2.gz YBCYRXYDMZHFAS-IBGZPJMESA-N 1 3 295.430 3.002 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000354567300 220811054 /nfs/dbraw/zinc/81/10/54/220811054.db2.gz MKLPYDKOTIQPBP-ROUUACIJSA-N 1 3 290.451 3.043 20 0 CGADHO CCO[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000339073215 542485714 /nfs/dbraw/zinc/48/57/14/542485714.db2.gz AZWYLKKABWWSLJ-OKZBNKHCSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000339073215 542485721 /nfs/dbraw/zinc/48/57/21/542485721.db2.gz AZWYLKKABWWSLJ-OKZBNKHCSA-N 1 3 294.483 3.188 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000339069853 542486161 /nfs/dbraw/zinc/48/61/61/542486161.db2.gz XWNTXYBIFSTMOD-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+]C[C@@H](N)C(C)C)ccc2c1 ZINC000423268941 533336845 /nfs/dbraw/zinc/33/68/45/533336845.db2.gz VJFJCMJCZGJSGU-SCLBCKFNSA-N 1 3 286.419 3.482 20 0 CGADHO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423503706 533469402 /nfs/dbraw/zinc/46/94/02/533469402.db2.gz GDYYMSKEVGWJJR-CWRNSKLLSA-N 1 3 260.425 3.156 20 0 CGADHO COc1ccc(CN2CCC[C@H](C[NH3+])C2)c2ccccc12 ZINC000094692731 533558231 /nfs/dbraw/zinc/55/82/31/533558231.db2.gz HIEUOMSFLQPQJO-CQSZACIVSA-N 1 3 284.403 3.019 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000391120383 542612561 /nfs/dbraw/zinc/61/25/61/542612561.db2.gz AVOLIBDHUJFYPJ-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)c1ccc(C[C@@H]2CC[N@H+](CCCN)C2)cc1 ZINC000414761020 542638151 /nfs/dbraw/zinc/63/81/51/542638151.db2.gz ZTZNQVPIJIHFQG-INIZCTEOSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCCN)C2)cc1 ZINC000414761020 542638154 /nfs/dbraw/zinc/63/81/54/542638154.db2.gz ZTZNQVPIJIHFQG-INIZCTEOSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(C[C@@H]2CCN(CCC[NH3+])C2)cc1 ZINC000414761020 542638159 /nfs/dbraw/zinc/63/81/59/542638159.db2.gz ZTZNQVPIJIHFQG-INIZCTEOSA-N 1 3 260.425 3.023 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000414926643 542640466 /nfs/dbraw/zinc/64/04/66/542640466.db2.gz NQKCKJPIXWDKBL-QZWWFDLISA-N 1 3 276.399 3.321 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414931061 542640791 /nfs/dbraw/zinc/64/07/91/542640791.db2.gz UASPLEYWAOFEEJ-ZIAGYGMSSA-N 1 3 266.816 3.316 20 0 CGADHO C[NH+](C)CCCN[C@H]1CCC(C)(C)c2ccccc21 ZINC000020525653 391940265 /nfs/dbraw/zinc/94/02/65/391940265.db2.gz ZAAGMXJSKJXGFP-INIZCTEOSA-N 1 3 260.425 3.340 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037649330 391982921 /nfs/dbraw/zinc/98/29/21/391982921.db2.gz RVYFSJDJSOWELF-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649330 391982925 /nfs/dbraw/zinc/98/29/25/391982925.db2.gz RVYFSJDJSOWELF-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@H](C[NH2+][C@H](C)C1CCCC1)CN1CCCCC1 ZINC000054080894 392088682 /nfs/dbraw/zinc/08/86/82/392088682.db2.gz QITJZTINLMUZQD-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000070169457 392178163 /nfs/dbraw/zinc/17/81/63/392178163.db2.gz KYIAQVOLAXVCPG-LBPRGKRZSA-N 1 3 297.240 3.010 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358798 392182506 /nfs/dbraw/zinc/18/25/06/392182506.db2.gz KEPMZGIOWOKLKM-WMZOPIPTSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358798 392182508 /nfs/dbraw/zinc/18/25/08/392182508.db2.gz KEPMZGIOWOKLKM-WMZOPIPTSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358798 392182513 /nfs/dbraw/zinc/18/25/13/392182513.db2.gz KEPMZGIOWOKLKM-WMZOPIPTSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000431599959 542653066 /nfs/dbraw/zinc/65/30/66/542653066.db2.gz LCMHCHNAJFFOOW-OLMNGRFOSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](C)[C@H]1C ZINC000431599959 542653067 /nfs/dbraw/zinc/65/30/67/542653067.db2.gz LCMHCHNAJFFOOW-OLMNGRFOSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@@H]1C)N1CC[C@H](C)[C@H]1C ZINC000431599959 542653071 /nfs/dbraw/zinc/65/30/71/542653071.db2.gz LCMHCHNAJFFOOW-OLMNGRFOSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CC[N@H+]1CC[C@@H](C)[C@@H]1C)N1CC[C@H](C)[C@H]1C ZINC000431599959 542653074 /nfs/dbraw/zinc/65/30/74/542653074.db2.gz LCMHCHNAJFFOOW-OLMNGRFOSA-N 1 3 252.446 3.226 20 0 CGADHO CC(C)(CCCO)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000361899460 392357788 /nfs/dbraw/zinc/35/77/88/392357788.db2.gz ITZFREBUZUZMDI-UHFFFAOYSA-N 1 3 296.499 3.172 20 0 CGADHO CC(C)Oc1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647483006 392738879 /nfs/dbraw/zinc/73/88/79/392738879.db2.gz QRKPEDKLMRJVEA-UHFFFAOYSA-N 1 3 288.435 3.190 20 0 CGADHO CC(C)Oc1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647483006 392738882 /nfs/dbraw/zinc/73/88/82/392738882.db2.gz QRKPEDKLMRJVEA-UHFFFAOYSA-N 1 3 288.435 3.190 20 0 CGADHO Fc1ccc(F)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543730 392759650 /nfs/dbraw/zinc/75/96/50/392759650.db2.gz RMVHMSFJPQYQEV-KGLIPLIRSA-N 1 3 294.389 3.176 20 0 CGADHO Fc1ccc(F)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543731 392759793 /nfs/dbraw/zinc/75/97/93/392759793.db2.gz RMVHMSFJPQYQEV-UONOGXRCSA-N 1 3 294.389 3.176 20 0 CGADHO Clc1cscc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545742 392762760 /nfs/dbraw/zinc/76/27/60/392762760.db2.gz LBYHAQVCMJPCLW-NWDGAFQWSA-N 1 3 284.856 3.223 20 0 CGADHO CCN(CCC[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000187777813 392792241 /nfs/dbraw/zinc/79/22/41/392792241.db2.gz MCLNWVHYOJVKIR-HNNXBMFYSA-N 1 3 280.481 3.487 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)CC(F)F ZINC000647800906 392803246 /nfs/dbraw/zinc/80/32/46/392803246.db2.gz LTGCIGFGAHXOFB-RFQIPJPRSA-N 1 3 274.399 3.178 20 0 CGADHO C[C@H]1CCC[C@@H](CCN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815286 392808742 /nfs/dbraw/zinc/80/87/42/392808742.db2.gz XNNRFZJHNDRZHE-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO COc1ccc([C@@H]2CCCCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873532 392818997 /nfs/dbraw/zinc/81/89/97/392818997.db2.gz WPALZODPWWAILF-QAPCUYQASA-N 1 3 288.435 3.222 20 0 CGADHO Cc1ccc([C@@H]2[C@H](C)CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886667 392827043 /nfs/dbraw/zinc/82/70/43/392827043.db2.gz GXBQLOJLVYCIJK-NUJGCVRESA-N 1 3 272.436 3.378 20 0 CGADHO C[NH+](C)CC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000336462227 392857610 /nfs/dbraw/zinc/85/76/10/392857610.db2.gz NWTMOYZZMBDUES-QGZVFWFLSA-N 1 3 276.399 3.087 20 0 CGADHO COc1ccccc1C1(NCCCC2CC[NH2+]CC2)CC1 ZINC000647996268 392860049 /nfs/dbraw/zinc/86/00/49/392860049.db2.gz GGTQAPOGTOUQNQ-UHFFFAOYSA-N 1 3 288.435 3.054 20 0 CGADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000336797371 392869397 /nfs/dbraw/zinc/86/93/97/392869397.db2.gz ZQSMOVOURQWKFU-BFHYXJOUSA-N 1 3 272.383 3.028 20 0 CGADHO C[C@@H](NCCCCOCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390591142 392926260 /nfs/dbraw/zinc/92/62/60/392926260.db2.gz PJZWSFYOAZTKOA-SJLPKXTDSA-N 1 3 290.451 3.104 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184854 392930129 /nfs/dbraw/zinc/93/01/29/392930129.db2.gz CMQCNCLTRRAUJR-IRXDYDNUSA-N 1 3 264.457 3.443 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000525864010 392949999 /nfs/dbraw/zinc/94/99/99/392949999.db2.gz BALOZWDBWSFCKA-GJZGRUSLSA-N 1 3 278.415 3.251 20 0 CGADHO CC[C@H]1CCCC[C@@H]1C[NH2+]CC1=CCN(C)CC1 ZINC000401493080 392951323 /nfs/dbraw/zinc/95/13/23/392951323.db2.gz ZQVHQUFSFWMRHN-JKSUJKDBSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)O[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000462804633 392968191 /nfs/dbraw/zinc/96/81/91/392968191.db2.gz MBVCJVSNJHIUMT-HUUCEWRRSA-N 1 3 296.499 3.477 20 0 CGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000462804633 392968200 /nfs/dbraw/zinc/96/82/00/392968200.db2.gz MBVCJVSNJHIUMT-HUUCEWRRSA-N 1 3 296.499 3.477 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000341200560 392983684 /nfs/dbraw/zinc/98/36/84/392983684.db2.gz ZBDSXGWXEZTYAQ-UHFFFAOYSA-N 1 3 266.816 3.114 20 0 CGADHO Cc1cc(F)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414993809 393084183 /nfs/dbraw/zinc/08/41/83/393084183.db2.gz CTVLFEPTFQYFGT-NWDGAFQWSA-N 1 3 284.806 3.395 20 0 CGADHO Cc1ccccc1-c1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000415002575 393087373 /nfs/dbraw/zinc/08/73/73/393087373.db2.gz DWCGMBGIXSKCKQ-LSDHHAIUSA-N 1 3 268.404 3.487 20 0 CGADHO c1cc(-c2ccccc2)oc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014697 393096867 /nfs/dbraw/zinc/09/68/67/393096867.db2.gz XCUNBNPOLHMOHR-ZWKOTPCHSA-N 1 3 296.414 3.424 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2coc(-c3ccccc3)n2)CC1 ZINC000415028449 393102689 /nfs/dbraw/zinc/10/26/89/393102689.db2.gz YOQLVKYIKKVKJV-SHTZXODSSA-N 1 3 299.418 3.196 20 0 CGADHO CC[C@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)CCO1 ZINC000648470628 393042162 /nfs/dbraw/zinc/04/21/62/393042162.db2.gz MQKXVLDUQLOQOG-CVEARBPZSA-N 1 3 270.461 3.043 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)CCN1 ZINC000414948888 393058574 /nfs/dbraw/zinc/05/85/74/393058574.db2.gz MSTSUQJXZWVKLG-NWDGAFQWSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@H]1C[C@H](NCCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414948888 393058581 /nfs/dbraw/zinc/05/85/81/393058581.db2.gz MSTSUQJXZWVKLG-NWDGAFQWSA-N 1 3 284.806 3.142 20 0 CGADHO CC(C)[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000414949673 393058632 /nfs/dbraw/zinc/05/86/32/393058632.db2.gz GJJLTIYSOVHWRH-PVAVHDDUSA-N 1 3 260.425 3.156 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C[C@H]1C ZINC000414933319 393058819 /nfs/dbraw/zinc/05/88/19/393058819.db2.gz DQAVBYBGEPNFNY-OLMNGRFOSA-N 1 3 252.446 3.035 20 0 CGADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415038228 393106890 /nfs/dbraw/zinc/10/68/90/393106890.db2.gz HUESOZKICWXJNL-QZTJIDSGSA-N 1 3 272.436 3.267 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414985820 393080580 /nfs/dbraw/zinc/08/05/80/393080580.db2.gz IBZYNTFGFQVHJF-LNSITVRQSA-N 1 3 266.816 3.303 20 0 CGADHO [NH3+]CCC[C@H](NCc1ccccc1F)c1ccccc1 ZINC000415048950 393112736 /nfs/dbraw/zinc/11/27/36/393112736.db2.gz GUAPYIQLUNYULY-KRWDZBQOSA-N 1 3 272.367 3.396 20 0 CGADHO Cc1cccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000415053662 393114289 /nfs/dbraw/zinc/11/42/89/393114289.db2.gz OZSJXJFWHMUOOG-WMZOPIPTSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1cccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000415053661 393114736 /nfs/dbraw/zinc/11/47/36/393114736.db2.gz OZSJXJFWHMUOOG-SJLPKXTDSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000415053651 393115199 /nfs/dbraw/zinc/11/51/99/393115199.db2.gz OYLVLOSCFWNXGE-WMZOPIPTSA-N 1 3 272.436 3.267 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]CCCNC1CC1 ZINC000415065648 393123247 /nfs/dbraw/zinc/12/32/47/393123247.db2.gz GZTJXJYVDZJXPP-ZDUSSCGKSA-N 1 3 278.465 3.071 20 0 CGADHO CSc1ccccc1C[C@H](C)NCCC[NH2+]C1CC1 ZINC000415065648 393123255 /nfs/dbraw/zinc/12/32/55/393123255.db2.gz GZTJXJYVDZJXPP-ZDUSSCGKSA-N 1 3 278.465 3.071 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCNC1CC1 ZINC000415070242 393128624 /nfs/dbraw/zinc/12/86/24/393128624.db2.gz QEZKTFMNJLZBLX-MRXNPFEDSA-N 1 3 260.425 3.048 20 0 CGADHO CCC[C@H](C[NH2+]CCCNC1CC1)c1ccccc1 ZINC000415073419 393130468 /nfs/dbraw/zinc/13/04/68/393130468.db2.gz YKUUXGLHWBFXCG-MRXNPFEDSA-N 1 3 260.425 3.302 20 0 CGADHO Cc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c(C)c1 ZINC000261837131 393142547 /nfs/dbraw/zinc/14/25/47/393142547.db2.gz RRTOJWKKNCFHSV-IAGOWNOFSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c(C)c1 ZINC000261837131 393142555 /nfs/dbraw/zinc/14/25/55/393142555.db2.gz RRTOJWKKNCFHSV-IAGOWNOFSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837131 393142562 /nfs/dbraw/zinc/14/25/62/393142562.db2.gz RRTOJWKKNCFHSV-IAGOWNOFSA-N 1 3 272.436 3.092 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000469852235 393221921 /nfs/dbraw/zinc/22/19/21/393221921.db2.gz KYCCHUUWISCQCK-FNORWQNLSA-N 1 3 288.435 3.030 20 0 CGADHO C[C@@H](C[NH2+]CC1=CCN(C)CC1)c1cccc(Cl)c1 ZINC000470353643 393243760 /nfs/dbraw/zinc/24/37/60/393243760.db2.gz MWXRRCIVGUBTES-ZDUSSCGKSA-N 1 3 278.827 3.295 20 0 CGADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC1=CCCCC1 ZINC000423149550 285522725 /nfs/dbraw/zinc/52/27/25/285522725.db2.gz XSWBGFCECVCWIZ-MJGOQNOKSA-N 1 3 298.430 3.332 20 0 CGADHO CN1CC=C(C[NH2+]CC2(C)CCCCCC2)CC1 ZINC000355686823 393336797 /nfs/dbraw/zinc/33/67/97/393336797.db2.gz VPWLCEVJASVVRK-UHFFFAOYSA-N 1 3 250.430 3.198 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217984 393349419 /nfs/dbraw/zinc/34/94/19/393349419.db2.gz TXTVBBQPCVDNQM-VMGRFDJRSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217984 393349427 /nfs/dbraw/zinc/34/94/27/393349427.db2.gz TXTVBBQPCVDNQM-VMGRFDJRSA-N 1 3 276.399 3.275 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425935752 393445834 /nfs/dbraw/zinc/44/58/34/393445834.db2.gz JPCMDJKKNHJAMW-FUHWJXTLSA-N 1 3 276.468 3.431 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000420299584 393455850 /nfs/dbraw/zinc/45/58/50/393455850.db2.gz GWIONOPKWUCBEL-MAUKXSAKSA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000420299584 393455855 /nfs/dbraw/zinc/45/58/55/393455855.db2.gz GWIONOPKWUCBEL-MAUKXSAKSA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(C)[C@@H](C)c2ccccc2)cc1 ZINC000420299584 393455862 /nfs/dbraw/zinc/45/58/62/393455862.db2.gz GWIONOPKWUCBEL-MAUKXSAKSA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000420304253 393457563 /nfs/dbraw/zinc/45/75/63/393457563.db2.gz LJNNLRQLXTVARW-LZLYRXPVSA-N 1 3 288.435 3.002 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000420304253 393457565 /nfs/dbraw/zinc/45/75/65/393457565.db2.gz LJNNLRQLXTVARW-LZLYRXPVSA-N 1 3 288.435 3.002 20 0 CGADHO C(CN1CCSC2(CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420309867 393458853 /nfs/dbraw/zinc/45/88/53/393458853.db2.gz UFKBLXBWCJZZFF-OAHLLOKOSA-N 1 3 282.497 3.128 20 0 CGADHO CC[C@]1(C)CCCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311518 393460668 /nfs/dbraw/zinc/46/06/68/393460668.db2.gz WDFXWJDZPGVJDK-FUHWJXTLSA-N 1 3 290.451 3.250 20 0 CGADHO Cc1ccc(SCC[NH2+][C@@H]2CCNCC2(C)C)cc1C ZINC000420364846 393475335 /nfs/dbraw/zinc/47/53/35/393475335.db2.gz PIYIUGTZCMCUTJ-MRXNPFEDSA-N 1 3 292.492 3.373 20 0 CGADHO Cc1occc1C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647249404 393412376 /nfs/dbraw/zinc/41/23/76/393412376.db2.gz YCPIVKQTPRPPMA-MSOLQXFVSA-N 1 3 284.403 3.023 20 0 CGADHO C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409983 393484606 /nfs/dbraw/zinc/48/46/06/393484606.db2.gz XUGYFRKEGOMESO-WMZOPIPTSA-N 1 3 294.483 3.190 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000360037660 393560488 /nfs/dbraw/zinc/56/04/88/393560488.db2.gz KWFGDGOGYGHCQJ-MAUKXSAKSA-N 1 3 290.451 3.183 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000360037660 393560496 /nfs/dbraw/zinc/56/04/96/393560496.db2.gz KWFGDGOGYGHCQJ-MAUKXSAKSA-N 1 3 290.451 3.183 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430568607 393576723 /nfs/dbraw/zinc/57/67/23/393576723.db2.gz HRGZGBHHYYEOFK-DNVCBOLYSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568607 393576726 /nfs/dbraw/zinc/57/67/26/393576726.db2.gz HRGZGBHHYYEOFK-DNVCBOLYSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568607 393576735 /nfs/dbraw/zinc/57/67/35/393576735.db2.gz HRGZGBHHYYEOFK-DNVCBOLYSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@](C[NH3+])(NCc1cccc2ccccc21)C1CC1 ZINC000430585486 393577985 /nfs/dbraw/zinc/57/79/85/393577985.db2.gz WWXVCBKSYWIMDX-QGZVFWFLSA-N 1 3 254.377 3.057 20 0 CGADHO Cc1ccc2oc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2c1 ZINC000666743444 542812425 /nfs/dbraw/zinc/81/24/25/542812425.db2.gz JKHYWMIQOYCUHR-CZUORRHYSA-N 1 3 272.392 3.348 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C[C@H]1C ZINC000666857883 542821484 /nfs/dbraw/zinc/82/14/84/542821484.db2.gz OBAKPGUXKOSVOG-UGUYLWEFSA-N 1 3 252.446 3.179 20 0 CGADHO CCC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)C1CCNCC1 ZINC000431079979 393603057 /nfs/dbraw/zinc/60/30/57/393603057.db2.gz KNTWRWVCLGLHIC-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)C1CCNCC1 ZINC000431079979 393603059 /nfs/dbraw/zinc/60/30/59/393603059.db2.gz KNTWRWVCLGLHIC-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CCCN(CCO[C@@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000431079979 393603062 /nfs/dbraw/zinc/60/30/62/393603062.db2.gz KNTWRWVCLGLHIC-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422717297 393640977 /nfs/dbraw/zinc/64/09/77/393640977.db2.gz VJAFRXHCHMJOLU-HOTGVXAUSA-N 1 3 278.415 3.353 20 0 CGADHO Clc1cccc(Cl)c1CCN[C@@H]1CCC[NH2+]CC1 ZINC000422746579 393642665 /nfs/dbraw/zinc/64/26/65/393642665.db2.gz ZWIRAKPRSCGNMP-LLVKDONJSA-N 1 3 287.234 3.268 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422880508 393645655 /nfs/dbraw/zinc/64/56/55/393645655.db2.gz OCJWBCAEPUZODB-RHSMWYFYSA-N 1 3 260.425 3.288 20 0 CGADHO C[C@H]([NH2+]CC1(C)CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000432860623 393653034 /nfs/dbraw/zinc/65/30/34/393653034.db2.gz TVBMDBHSLWQIHM-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)c2sccc21 ZINC000423219454 393654916 /nfs/dbraw/zinc/65/49/16/393654916.db2.gz WUSXFBBALWBTOO-YRGRVCCFSA-N 1 3 264.438 3.276 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCNC2)c2sccc21 ZINC000423219454 393654922 /nfs/dbraw/zinc/65/49/22/393654922.db2.gz WUSXFBBALWBTOO-YRGRVCCFSA-N 1 3 264.438 3.276 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423273689 393657177 /nfs/dbraw/zinc/65/71/77/393657177.db2.gz KVLMUBRGXCSKJJ-UONOGXRCSA-N 1 3 297.240 3.009 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCC(C)(C)C[NH+](C)C)[C@@H](C)C2 ZINC000491368746 393683695 /nfs/dbraw/zinc/68/36/95/393683695.db2.gz QYDSFYPTBKPBFR-YOEHRIQHSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000423292833 393659513 /nfs/dbraw/zinc/65/95/13/393659513.db2.gz OQPQQHADAZDRFW-UGSOOPFHSA-N 1 3 266.388 3.483 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](N)C1CC1)CCS2 ZINC000423313358 393661219 /nfs/dbraw/zinc/66/12/19/393661219.db2.gz FOYIUTCFMRAKNM-LSDHHAIUSA-N 1 3 276.449 3.167 20 0 CGADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423396811 393665370 /nfs/dbraw/zinc/66/53/70/393665370.db2.gz SQXMCLNFNCRPJN-LRDDRELGSA-N 1 3 258.409 3.204 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423481992 393670357 /nfs/dbraw/zinc/67/03/57/393670357.db2.gz XCAVIOLVYDFILJ-RISCZKNCSA-N 1 3 288.357 3.353 20 0 CGADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000449433753 393881311 /nfs/dbraw/zinc/88/13/11/393881311.db2.gz NRUSUZSMFHCKFF-FPCVCCKLSA-N 1 3 250.430 3.029 20 0 CGADHO c1cc2cc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969001 542830706 /nfs/dbraw/zinc/83/07/06/542830706.db2.gz UKRFSHJPKXBVGP-MOPGFXCFSA-N 1 3 295.430 3.199 20 0 CGADHO c1cc(C2CC2)ccc1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993962 542832576 /nfs/dbraw/zinc/83/25/76/542832576.db2.gz XMTWWTHSMJHMPE-KRWDZBQOSA-N 1 3 270.420 3.328 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993883 542832817 /nfs/dbraw/zinc/83/28/17/542832817.db2.gz QSGQFXQMXNMZDM-DOTOQJQBSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H](CCN[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666993883 542832820 /nfs/dbraw/zinc/83/28/20/542832820.db2.gz QSGQFXQMXNMZDM-DOTOQJQBSA-N 1 3 272.436 3.445 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995212 542832996 /nfs/dbraw/zinc/83/29/96/542832996.db2.gz GLIPYYJJSAUIOD-KBPBESRZSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCNC3(CCC3)C2)cc2cccnc12 ZINC000666996987 542834185 /nfs/dbraw/zinc/83/41/85/542834185.db2.gz PSQSRGXSTIILJL-QGZVFWFLSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666997090 542835208 /nfs/dbraw/zinc/83/52/08/542835208.db2.gz WOTQQSJCIXBHHJ-QLFBSQMISA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1 ZINC000453116947 394176970 /nfs/dbraw/zinc/17/69/70/394176970.db2.gz IJGGXUWBNSFWOK-CVEARBPZSA-N 1 3 277.456 3.489 20 0 CGADHO CCn1ccnc1[C@@H](C)N[C@H](C)CCC[NH+](CC)CC ZINC000453052806 394153513 /nfs/dbraw/zinc/15/35/13/394153513.db2.gz DIBMYUVLCSOJPK-HUUCEWRRSA-N 1 3 280.460 3.064 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccncc1 ZINC000453199242 394202915 /nfs/dbraw/zinc/20/29/15/394202915.db2.gz XFLXZJQIQOUUGA-RDJZCZTQSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000453141851 394185233 /nfs/dbraw/zinc/18/52/33/394185233.db2.gz UCPZQUVEUUDNEH-NJAFHUGGSA-N 1 3 289.467 3.255 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784531 543061568 /nfs/dbraw/zinc/06/15/68/543061568.db2.gz DXUOQMYLNFELIF-KSZLIROESA-N 1 3 294.483 3.021 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265132 543148162 /nfs/dbraw/zinc/14/81/62/543148162.db2.gz QYQOKALLJXKYHY-CABCVRRESA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265132 543148164 /nfs/dbraw/zinc/14/81/64/543148164.db2.gz QYQOKALLJXKYHY-CABCVRRESA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(CCOc1cc(C)cc(C)c1)C1CC[NH2+]CC1 ZINC000037539164 397608384 /nfs/dbraw/zinc/60/83/84/397608384.db2.gz KSWGIPACMRXJKF-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CCC[N@H+](CCOc1cc(C)cc(C)c1)C1CCNCC1 ZINC000037539164 397608387 /nfs/dbraw/zinc/60/83/87/397608387.db2.gz KSWGIPACMRXJKF-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CCC[N@@H+](CCOc1cc(C)cc(C)c1)C1CCNCC1 ZINC000037539164 397608390 /nfs/dbraw/zinc/60/83/90/397608390.db2.gz KSWGIPACMRXJKF-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CC[C@@H]1CN(Cc2cc(C)c(C)cc2C)CC[C@H]1[NH3+] ZINC000300417637 397673373 /nfs/dbraw/zinc/67/33/73/397673373.db2.gz WFDSIGYWZIRYAT-NVXWUHKLSA-N 1 3 260.425 3.171 20 0 CGADHO C[C@H]1CCCN(Cc2ccc3cnccc3c2)[C@@H]1CC[NH3+] ZINC000650712249 397899652 /nfs/dbraw/zinc/89/96/52/397899652.db2.gz XTIXLJBKTIUVNN-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc3cnccc3c2)[C@@H]1CCN ZINC000650712249 397899654 /nfs/dbraw/zinc/89/96/54/397899654.db2.gz XTIXLJBKTIUVNN-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@@H]1CCN ZINC000650712249 397899656 /nfs/dbraw/zinc/89/96/56/397899656.db2.gz XTIXLJBKTIUVNN-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H](NCC1(c2ccccc2F)CCC1)[C@H]1CCC[NH2+]C1 ZINC000650740823 397904482 /nfs/dbraw/zinc/90/44/82/397904482.db2.gz SEJHRZOSLJBKOI-GJZGRUSLSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H]([NH2+]CC1(c2ccccc2F)CCC1)[C@H]1CCCNC1 ZINC000650740823 397904484 /nfs/dbraw/zinc/90/44/84/397904484.db2.gz SEJHRZOSLJBKOI-GJZGRUSLSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H](Cc1cccs1)NCc1ccc(C[NH3+])cc1F ZINC000650752607 397908433 /nfs/dbraw/zinc/90/84/33/397908433.db2.gz VDNMQMJYOHXNPT-LLVKDONJSA-N 1 3 278.396 3.067 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2c1cccc2F ZINC000650758028 397910356 /nfs/dbraw/zinc/91/03/56/397910356.db2.gz HHYDJYCQIKJPOA-GOSISDBHSA-N 1 3 284.378 3.322 20 0 CGADHO CC(C)c1nc([C@H](C)NCCC2CC[NH2+]CC2)cs1 ZINC000650762985 397912588 /nfs/dbraw/zinc/91/25/88/397912588.db2.gz OJDYPAZREFCBRB-LBPRGKRZSA-N 1 3 281.469 3.307 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423046110 296576860 /nfs/dbraw/zinc/57/68/60/296576860.db2.gz DFQZKSCKVLXINH-GDBMZVCRSA-N 1 3 264.457 3.491 20 0 CGADHO c1cc(N2CCN(CCCC3CCCC3)CC2)cc[nH+]1 ZINC000675499569 543344633 /nfs/dbraw/zinc/34/46/33/543344633.db2.gz MCOZSMJJXGBZJO-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000675778724 543363698 /nfs/dbraw/zinc/36/36/98/543363698.db2.gz KFMQBTDAUHNVLB-GJZGRUSLSA-N 1 3 290.451 3.324 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2CCc3cc(C)ccc32)CC1 ZINC000675798307 543365647 /nfs/dbraw/zinc/36/56/47/543365647.db2.gz YPRIMUVAQUMTRB-GOSISDBHSA-N 1 3 272.436 3.446 20 0 CGADHO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000675723187 543358062 /nfs/dbraw/zinc/35/80/62/543358062.db2.gz ZDUYAYWUGTTXOR-GJZGRUSLSA-N 1 3 278.440 3.466 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)[C@@H]2CCCCO2)CC1 ZINC000678598576 543540674 /nfs/dbraw/zinc/54/06/74/543540674.db2.gz SNYXVNDMBABGED-INIZCTEOSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCCC1 ZINC000678766972 543554052 /nfs/dbraw/zinc/55/40/52/543554052.db2.gz SITDMCMGJFBRMS-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H]1CCc2ccccc2[C@@H]1NCCC[NH+]1CCCC1 ZINC000678766972 543554055 /nfs/dbraw/zinc/55/40/55/543554055.db2.gz SITDMCMGJFBRMS-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000678772160 543555797 /nfs/dbraw/zinc/55/57/97/543555797.db2.gz HGLSRHMRQFDMQA-SJLPKXTDSA-N 1 3 272.436 3.082 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)C1(CC)CC ZINC000429348687 286282387 /nfs/dbraw/zinc/28/23/87/286282387.db2.gz KWCLDBXYUVPDAW-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCNC2)C12CCCCC2 ZINC000423343172 286285747 /nfs/dbraw/zinc/28/57/47/286285747.db2.gz NPLWGYNEMVRJNI-BRWVUGGUSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000336345836 292352506 /nfs/dbraw/zinc/35/25/06/292352506.db2.gz AWVMIZQINKRDKC-KRWDZBQOSA-N 1 3 286.419 3.060 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000336345836 292352507 /nfs/dbraw/zinc/35/25/07/292352507.db2.gz AWVMIZQINKRDKC-KRWDZBQOSA-N 1 3 286.419 3.060 20 0 CGADHO CCSCC[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160073375 286701371 /nfs/dbraw/zinc/70/13/71/286701371.db2.gz KZNVHOYZZAURAJ-ZNMIVQPWSA-N 1 3 272.502 3.419 20 0 CGADHO C[C@@H](NC[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000415005354 287030756 /nfs/dbraw/zinc/03/07/56/287030756.db2.gz APPKXVWVYRSIEB-OUAUKWLOSA-N 1 3 274.330 3.134 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(OCC(C)C)cc2)CC1 ZINC000066152266 165034423 /nfs/dbraw/zinc/03/44/23/165034423.db2.gz XZDYIXCXQLGEFT-UHFFFAOYSA-N 1 3 290.451 3.153 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096946 165161401 /nfs/dbraw/zinc/16/14/01/165161401.db2.gz QSTYGVKIHKERKG-NVXWUHKLSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096946 165161403 /nfs/dbraw/zinc/16/14/03/165161403.db2.gz QSTYGVKIHKERKG-NVXWUHKLSA-N 1 3 260.425 3.157 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089143712 165200297 /nfs/dbraw/zinc/20/02/97/165200297.db2.gz KCCRCVXFHTVWNA-LXZKKBNFSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@@H](c1ccccc1Cl)N(C)CC[C@@H]1CC[NH2+]C1 ZINC000089749430 165214772 /nfs/dbraw/zinc/21/47/72/165214772.db2.gz OIAHMAFEDFWVRR-STQMWFEESA-N 1 3 266.816 3.332 20 0 CGADHO CC(C)c1ncc(CN2CCC(CC[NH+](C)C)CC2)s1 ZINC000092380949 165294946 /nfs/dbraw/zinc/29/49/46/165294946.db2.gz AIQKMXXYRBPPQM-UHFFFAOYSA-N 1 3 295.496 3.430 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccccc1 ZINC000093495974 165328033 /nfs/dbraw/zinc/32/80/33/165328033.db2.gz MTKFCGMSQJELIS-WBVHZDCISA-N 1 3 260.425 3.130 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CC1 ZINC000177269219 165613982 /nfs/dbraw/zinc/61/39/82/165613982.db2.gz VXPGVHJOANWXHX-ZDUSSCGKSA-N 1 3 250.430 3.029 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000119240712 287166979 /nfs/dbraw/zinc/16/69/79/287166979.db2.gz YAHMURIYJUZRTR-ZMSDIMECSA-N 1 3 290.451 3.212 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123261656 287217633 /nfs/dbraw/zinc/21/76/33/287217633.db2.gz XAYXNDLWNASXHH-UKRRQHHQSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123261656 287217637 /nfs/dbraw/zinc/21/76/37/287217637.db2.gz XAYXNDLWNASXHH-UKRRQHHQSA-N 1 3 280.843 3.297 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CC1 ZINC000125975486 287254200 /nfs/dbraw/zinc/25/42/00/287254200.db2.gz OBYZWQJEVJJLQQ-ZBFHGGJFSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)CN1CCCC1 ZINC000126567597 287267814 /nfs/dbraw/zinc/26/78/14/287267814.db2.gz KTDZFHADENBHNS-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H](CN[C@@H]1Cc2ccc(Cl)cc2C1)C[NH+]1CCCC1 ZINC000126567597 287267817 /nfs/dbraw/zinc/26/78/17/287267817.db2.gz KTDZFHADENBHNS-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO CCc1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285673986 196362709 /nfs/dbraw/zinc/36/27/09/196362709.db2.gz ZZVRYLYYLYGEDK-DFNIBXOVSA-N 1 3 286.463 3.349 20 0 CGADHO CCc1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285673986 196362711 /nfs/dbraw/zinc/36/27/11/196362711.db2.gz ZZVRYLYYLYGEDK-DFNIBXOVSA-N 1 3 286.463 3.349 20 0 CGADHO CC(C)c1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408278 173184959 /nfs/dbraw/zinc/18/49/59/173184959.db2.gz DOAYAWIMSPMZJE-INIZCTEOSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408278 173184964 /nfs/dbraw/zinc/18/49/64/173184964.db2.gz DOAYAWIMSPMZJE-INIZCTEOSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408278 173184965 /nfs/dbraw/zinc/18/49/65/173184965.db2.gz DOAYAWIMSPMZJE-INIZCTEOSA-N 1 3 272.436 3.384 20 0 CGADHO c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037408225 173185428 /nfs/dbraw/zinc/18/54/28/173185428.db2.gz CSPVNVZAFZKODR-OAHLLOKOSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2c(c1)cccc2CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408225 173185429 /nfs/dbraw/zinc/18/54/29/173185429.db2.gz CSPVNVZAFZKODR-OAHLLOKOSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2c(c1)cccc2CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408225 173185432 /nfs/dbraw/zinc/18/54/32/173185432.db2.gz CSPVNVZAFZKODR-OAHLLOKOSA-N 1 3 280.415 3.414 20 0 CGADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000038097922 174112560 /nfs/dbraw/zinc/11/25/60/174112560.db2.gz FOZMVTYZHXNZGS-INIZCTEOSA-N 1 3 264.388 3.351 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000127751340 287295289 /nfs/dbraw/zinc/29/52/89/287295289.db2.gz MNORVTFBSXAJJO-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@@H](C)[C@@H]3CC[NH3+])ccc2n1 ZINC000404329495 416551517 /nfs/dbraw/zinc/55/15/17/416551517.db2.gz YBTOOVFMZXTBDF-KUHUBIRLSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCC[C@@H](C)[C@@H]3CCN)ccc2n1 ZINC000404329495 416551521 /nfs/dbraw/zinc/55/15/21/416551521.db2.gz YBTOOVFMZXTBDF-KUHUBIRLSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CCN)ccc2n1 ZINC000404329495 416551522 /nfs/dbraw/zinc/55/15/22/416551522.db2.gz YBTOOVFMZXTBDF-KUHUBIRLSA-N 1 3 297.446 3.493 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1CCN)c1ccccc1 ZINC000404341836 416552115 /nfs/dbraw/zinc/55/21/15/416552115.db2.gz FIVLCEXHXOTYOM-ZMSDIMECSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CCN)c1ccccc1 ZINC000404341836 416552119 /nfs/dbraw/zinc/55/21/19/416552119.db2.gz FIVLCEXHXOTYOM-ZMSDIMECSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358790 416492593 /nfs/dbraw/zinc/49/25/93/416492593.db2.gz KMNGYWNMUSCQMK-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358790 416492596 /nfs/dbraw/zinc/49/25/96/416492596.db2.gz KMNGYWNMUSCQMK-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358790 416492600 /nfs/dbraw/zinc/49/26/00/416492600.db2.gz KMNGYWNMUSCQMK-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H](c1ccc(Br)cc1)N(C)CCC[NH3+] ZINC000133229608 416516342 /nfs/dbraw/zinc/51/63/42/416516342.db2.gz ROBASLWQHPEJRU-ZDUSSCGKSA-N 1 3 285.229 3.181 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(O)cc2)CC1 ZINC000679396001 543634528 /nfs/dbraw/zinc/63/45/28/543634528.db2.gz LOUIUBSTTXBKMQ-UHFFFAOYSA-N 1 3 290.451 3.336 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(O)cc2)CC1 ZINC000679396001 543634530 /nfs/dbraw/zinc/63/45/30/543634530.db2.gz LOUIUBSTTXBKMQ-UHFFFAOYSA-N 1 3 290.451 3.336 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000681366338 543784145 /nfs/dbraw/zinc/78/41/45/543784145.db2.gz PAUSNUIPRHKEQF-BBWFWOEESA-N 1 3 264.457 3.299 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000131436473 287379963 /nfs/dbraw/zinc/37/99/63/287379963.db2.gz GATWEDIQGKMMCA-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CC[NH+](CC)CCCN[C@@H](C)Cc1ccc(F)cc1 ZINC000131436473 287379967 /nfs/dbraw/zinc/37/99/67/287379967.db2.gz GATWEDIQGKMMCA-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CC1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000683829371 543945108 /nfs/dbraw/zinc/94/51/08/543945108.db2.gz BIGINBRFZLPAFA-INIZCTEOSA-N 1 3 264.457 3.375 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000685663915 544093904 /nfs/dbraw/zinc/09/39/04/544093904.db2.gz KSXXBAXRXBMZIU-ANQUJSFKSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000685663915 544093905 /nfs/dbraw/zinc/09/39/05/544093905.db2.gz KSXXBAXRXBMZIU-ANQUJSFKSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](CNC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000658328008 418937285 /nfs/dbraw/zinc/93/72/85/418937285.db2.gz HPSZSDOFPJVMOP-QGZVFWFLSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](NCCC[N@H+](CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237301 418940002 /nfs/dbraw/zinc/94/00/02/418940002.db2.gz KQWUTJWKLDMVDE-AEFFLSMTSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@H](NCCC[N@@H+](CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237301 418940004 /nfs/dbraw/zinc/94/00/04/418940004.db2.gz KQWUTJWKLDMVDE-AEFFLSMTSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@H]([NH2+]CCCN(CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237301 418940009 /nfs/dbraw/zinc/94/00/09/418940009.db2.gz KQWUTJWKLDMVDE-AEFFLSMTSA-N 1 3 296.499 3.436 20 0 CGADHO Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000665241480 419088099 /nfs/dbraw/zinc/08/80/99/419088099.db2.gz NYUJKGZBBQETQO-KBMXLJTQSA-N 1 3 278.827 3.003 20 0 CGADHO COCCC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(F)cc1 ZINC000665246769 419090501 /nfs/dbraw/zinc/09/05/01/419090501.db2.gz NJLCQCZYWVHQKD-MRXNPFEDSA-N 1 3 294.414 3.155 20 0 CGADHO Cc1nccn1-c1ccc([C@@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665248761 419091619 /nfs/dbraw/zinc/09/16/19/419091619.db2.gz BVWPEUGINYFDGQ-CQSZACIVSA-N 1 3 298.434 3.103 20 0 CGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665248761 419091620 /nfs/dbraw/zinc/09/16/20/419091620.db2.gz BVWPEUGINYFDGQ-CQSZACIVSA-N 1 3 298.434 3.103 20 0 CGADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1(N)CCCC1 ZINC000665248561 419092638 /nfs/dbraw/zinc/09/26/38/419092638.db2.gz ZELKCJLOABRORK-DZGCQCFKSA-N 1 3 258.409 3.404 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1(F)F ZINC000665274631 419098313 /nfs/dbraw/zinc/09/83/13/419098313.db2.gz URPSTVZZDJUINS-XQQFMLRXSA-N 1 3 266.335 3.012 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274586 419098746 /nfs/dbraw/zinc/09/87/46/419098746.db2.gz UBFIYUICSYWLBQ-YLFCFFPRSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@H](C)c1ccc(Cl)cc1 ZINC000665279335 419100938 /nfs/dbraw/zinc/10/09/38/419100938.db2.gz AODSCQOBTUQWPH-BEBLISSESA-N 1 3 278.827 3.174 20 0 CGADHO CSc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280818 419101929 /nfs/dbraw/zinc/10/19/29/419101929.db2.gz MITHNZFJOHLPBU-SWLSCSKDSA-N 1 3 266.454 3.433 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000665281942 419103812 /nfs/dbraw/zinc/10/38/12/419103812.db2.gz MNVSZXDANZPWLY-ZACQAIPSSA-N 1 3 290.451 3.196 20 0 CGADHO C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115418 419080040 /nfs/dbraw/zinc/08/00/40/419080040.db2.gz MYFJVBSNORWRHP-WBVHZDCISA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115418 419080043 /nfs/dbraw/zinc/08/00/43/419080043.db2.gz MYFJVBSNORWRHP-WBVHZDCISA-N 1 3 262.441 3.125 20 0 CGADHO Cc1cnc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)c(C)c1 ZINC000656199698 419148468 /nfs/dbraw/zinc/14/84/68/419148468.db2.gz BCGXQXQNGWIXJW-DLBZAZTESA-N 1 3 289.467 3.141 20 0 CGADHO CC[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@H]1CCCCO1 ZINC000656202114 419149898 /nfs/dbraw/zinc/14/98/98/419149898.db2.gz YZLJROCWFZZZJT-LTIDMASMSA-N 1 3 282.472 3.235 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@@H]1CCCCO1 ZINC000656202201 419150247 /nfs/dbraw/zinc/15/02/47/419150247.db2.gz ZYUKYOCOHSZGCE-TWMKSMIVSA-N 1 3 274.408 3.069 20 0 CGADHO CCC[N@H+](Cc1ccc(OCCN(C)C)cc1)C(C)C ZINC000656268895 419161079 /nfs/dbraw/zinc/16/10/79/419161079.db2.gz IGVXJSDAEXJUAG-UHFFFAOYSA-N 1 3 278.440 3.247 20 0 CGADHO CCC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C(C)C ZINC000656268895 419161082 /nfs/dbraw/zinc/16/10/82/419161082.db2.gz IGVXJSDAEXJUAG-UHFFFAOYSA-N 1 3 278.440 3.247 20 0 CGADHO c1ccc(C[NH2+]C2CCN(CC3CCC3)CC2)cc1 ZINC000660679994 419182006 /nfs/dbraw/zinc/18/20/06/419182006.db2.gz VSVCOVDPOQSVFO-UHFFFAOYSA-N 1 3 258.409 3.041 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]CCCN3CCCCC3)cc21 ZINC000657296066 419245231 /nfs/dbraw/zinc/24/52/31/419245231.db2.gz QEARGHSURFTBAR-UHFFFAOYSA-N 1 3 285.435 3.442 20 0 CGADHO Fc1ccc(F)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786627 419219788 /nfs/dbraw/zinc/21/97/88/419219788.db2.gz VDEGLPKEAQEQCL-AWEZNQCLSA-N 1 3 294.389 3.176 20 0 CGADHO CCC[C@H](Cc1ccccc1)NCC1([NH3+])CCCC1 ZINC000656789528 419220799 /nfs/dbraw/zinc/22/07/99/419220799.db2.gz PQOSBNRCYZRFJK-MRXNPFEDSA-N 1 3 260.425 3.259 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCCC1 ZINC000656789470 419221180 /nfs/dbraw/zinc/22/11/80/419221180.db2.gz OJPAFBHPJUGTPG-HZPDHXFCSA-N 1 3 276.399 3.323 20 0 CGADHO CC(C)c1ccc(CCNCC2([NH3+])CCCC2)cc1 ZINC000656788959 419221456 /nfs/dbraw/zinc/22/14/56/419221456.db2.gz HAXPXMOEKKBEJI-UHFFFAOYSA-N 1 3 260.425 3.214 20 0 CGADHO Cc1ccc(CC[C@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000656789747 419221466 /nfs/dbraw/zinc/22/14/66/419221466.db2.gz WVJQEFRTYNEICS-HNNXBMFYSA-N 1 3 260.425 3.177 20 0 CGADHO c1cc(CN2CC[C@H]3C[C@H]3C2)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967275 419316829 /nfs/dbraw/zinc/31/68/29/419316829.db2.gz CTDUPWJFVQHYIQ-FGYAAKKASA-N 1 3 296.458 3.370 20 0 CGADHO c1cc(CN2CC[C@H]3C[C@H]3C2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967275 419316831 /nfs/dbraw/zinc/31/68/31/419316831.db2.gz CTDUPWJFVQHYIQ-FGYAAKKASA-N 1 3 296.458 3.370 20 0 CGADHO c1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661967275 419316833 /nfs/dbraw/zinc/31/68/33/419316833.db2.gz CTDUPWJFVQHYIQ-FGYAAKKASA-N 1 3 296.458 3.370 20 0 CGADHO c1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661967275 419316834 /nfs/dbraw/zinc/31/68/34/419316834.db2.gz CTDUPWJFVQHYIQ-FGYAAKKASA-N 1 3 296.458 3.370 20 0 CGADHO C[C@H]1CCC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000657670303 419326175 /nfs/dbraw/zinc/32/61/75/419326175.db2.gz STAXYGJJTCVBKS-MAUKXSAKSA-N 1 3 294.483 3.331 20 0 CGADHO CC(C)CC[NH+]1CCC(CN[C@@H](C)c2ccccn2)CC1 ZINC000159323969 287529477 /nfs/dbraw/zinc/52/94/77/287529477.db2.gz VODZGJIUQZQUAB-INIZCTEOSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H]1CCCN(Cc2c(F)cccc2F)[C@@H]1CCC[NH3+] ZINC000662316200 419390538 /nfs/dbraw/zinc/39/05/38/419390538.db2.gz KPIVXWHRBZEHFV-MLGOLLRUSA-N 1 3 282.378 3.304 20 0 CGADHO Fc1cc(F)cc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812461 419364167 /nfs/dbraw/zinc/36/41/67/419364167.db2.gz CSMQDSUWQBAKNV-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCSCC1 ZINC000657822796 419372865 /nfs/dbraw/zinc/37/28/65/419372865.db2.gz BGQBTHWLVXRMEQ-CABCVRRESA-N 1 3 270.486 3.126 20 0 CGADHO CCOC1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000657823021 419373087 /nfs/dbraw/zinc/37/30/87/419373087.db2.gz GZAIEJOOIPMHCR-GTPINHCMSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCSCC1 ZINC000657822798 419373410 /nfs/dbraw/zinc/37/34/10/419373410.db2.gz BGQBTHWLVXRMEQ-HUUCEWRRSA-N 1 3 270.486 3.126 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CCCSCC2)CC(C)(C)N1 ZINC000657827299 419375108 /nfs/dbraw/zinc/37/51/08/419375108.db2.gz YYEUXBHDLNHPRA-GFCCVEGCSA-N 1 3 270.486 3.171 20 0 CGADHO CC[C@H](CC(F)F)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662277714 419382175 /nfs/dbraw/zinc/38/21/75/419382175.db2.gz WBNQLLCHKMDBJE-RDBSUJKOSA-N 1 3 274.399 3.132 20 0 CGADHO CCOC1CCC([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000657991939 419480615 /nfs/dbraw/zinc/48/06/15/419480615.db2.gz XXDWRDIZPZJLFG-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](COCC1CC1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000658091217 419566589 /nfs/dbraw/zinc/56/65/89/419566589.db2.gz QJPNOYQUYCSYBK-OAHLLOKOSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CNCC[C@@H]([NH3+])C(C)C ZINC000663502406 419637210 /nfs/dbraw/zinc/63/72/10/419637210.db2.gz IJJSZYCUKNAFRF-CQSZACIVSA-N 1 3 288.357 3.477 20 0 CGADHO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C(C)(C)O1 ZINC000663468818 419619626 /nfs/dbraw/zinc/61/96/26/419619626.db2.gz MWOYJXXHMAEHIK-HOTGVXAUSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468818 419619631 /nfs/dbraw/zinc/61/96/31/419619631.db2.gz MWOYJXXHMAEHIK-HOTGVXAUSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468818 419619642 /nfs/dbraw/zinc/61/96/42/419619642.db2.gz MWOYJXXHMAEHIK-HOTGVXAUSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468214 419621593 /nfs/dbraw/zinc/62/15/93/419621593.db2.gz KJRCGFOUNOLVME-GVDBMIGSSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](NCCc1ccoc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658202415 419653754 /nfs/dbraw/zinc/65/37/54/419653754.db2.gz TYYJPEHZOZYYLE-QFBILLFUSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@H](NCCc1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202415 419653765 /nfs/dbraw/zinc/65/37/65/419653765.db2.gz TYYJPEHZOZYYLE-QFBILLFUSA-N 1 3 298.430 3.322 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1CCNc1nccc2[nH]ccc21 ZINC000663603176 419656729 /nfs/dbraw/zinc/65/67/29/419656729.db2.gz GWGPHUSHWJLLAP-CYBMUJFWSA-N 1 3 272.396 3.239 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1CCNc1nccc2[nH]ccc21 ZINC000663603176 419656737 /nfs/dbraw/zinc/65/67/37/419656737.db2.gz GWGPHUSHWJLLAP-CYBMUJFWSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCCC1 ZINC000223017672 260258113 /nfs/dbraw/zinc/25/81/13/260258113.db2.gz BXTVIZDMPVTUOL-CQSZACIVSA-N 1 3 280.843 3.347 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000223017672 260258115 /nfs/dbraw/zinc/25/81/15/260258115.db2.gz BXTVIZDMPVTUOL-CQSZACIVSA-N 1 3 280.843 3.347 20 0 CGADHO COC[C@@H](CCC[NH3+])NC(c1ccccc1)c1ccccc1 ZINC000318498839 261219841 /nfs/dbraw/zinc/21/98/41/261219841.db2.gz JAWQCSIJQSVZGU-GOSISDBHSA-N 1 3 298.430 3.120 20 0 CGADHO CC(F)(F)CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000390113761 262129095 /nfs/dbraw/zinc/12/90/95/262129095.db2.gz YRDXLLYXONZVQB-OLZOCXBDSA-N 1 3 254.324 3.156 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534790 270035832 /nfs/dbraw/zinc/03/58/32/270035832.db2.gz JCJGFEBQUXROGV-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534790 270035834 /nfs/dbraw/zinc/03/58/34/270035834.db2.gz JCJGFEBQUXROGV-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO CN1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000044535853 270036782 /nfs/dbraw/zinc/03/67/82/270036782.db2.gz SQARSMFYVNMTTO-LBPRGKRZSA-N 1 3 287.234 3.425 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187383480 270068658 /nfs/dbraw/zinc/06/86/58/270068658.db2.gz LPKROYAPNMJXAY-HOTGVXAUSA-N 1 3 298.540 3.476 20 0 CGADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000236864072 270089474 /nfs/dbraw/zinc/08/94/74/270089474.db2.gz QBOITSVMWDSDBC-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000236864072 270089475 /nfs/dbraw/zinc/08/94/75/270089475.db2.gz QBOITSVMWDSDBC-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000236864072 270089476 /nfs/dbraw/zinc/08/94/76/270089476.db2.gz QBOITSVMWDSDBC-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)CN1CCCC1 ZINC000328147002 270095237 /nfs/dbraw/zinc/09/52/37/270095237.db2.gz DGDABFPMSHDDSD-JKSUJKDBSA-N 1 3 264.457 3.421 20 0 CGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000527730161 270132954 /nfs/dbraw/zinc/13/29/54/270132954.db2.gz RFKDTRDNLHDFHZ-OWCLPIDISA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527730161 270132955 /nfs/dbraw/zinc/13/29/55/270132955.db2.gz RFKDTRDNLHDFHZ-OWCLPIDISA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527730161 270132956 /nfs/dbraw/zinc/13/29/56/270132956.db2.gz RFKDTRDNLHDFHZ-OWCLPIDISA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@H]1CC12CC2)N1CCCCC1 ZINC000527884541 270141974 /nfs/dbraw/zinc/14/19/74/270141974.db2.gz GJNKSXPLCCBSIB-QLFBSQMISA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)CN(C)C ZINC000527899838 270142959 /nfs/dbraw/zinc/14/29/59/270142959.db2.gz FZUYPBDWRKJIGD-BONVTDFDSA-N 1 3 284.806 3.254 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530215533 270195887 /nfs/dbraw/zinc/19/58/87/270195887.db2.gz HBYKBFRXSSQRHA-RBSFLKMASA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000530242724 270197409 /nfs/dbraw/zinc/19/74/09/270197409.db2.gz CXFSDMIHMRMDIP-DZGCQCFKSA-N 1 3 266.816 3.290 20 0 CGADHO CC[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCOCC1 ZINC000531688752 270208889 /nfs/dbraw/zinc/20/88/89/270208889.db2.gz IQUIOTWXUWBMSS-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262398143 275069027 /nfs/dbraw/zinc/06/90/27/275069027.db2.gz CBEQWANIPUGVLW-GJZGRUSLSA-N 1 3 290.410 3.298 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000464882273 276072792 /nfs/dbraw/zinc/07/27/92/276072792.db2.gz GHIAUHSQSXSWOE-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000464882273 276072789 /nfs/dbraw/zinc/07/27/89/276072789.db2.gz GHIAUHSQSXSWOE-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000464882273 276072790 /nfs/dbraw/zinc/07/27/90/276072790.db2.gz GHIAUHSQSXSWOE-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000464882273 276072791 /nfs/dbraw/zinc/07/27/91/276072791.db2.gz GHIAUHSQSXSWOE-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000479475233 276176084 /nfs/dbraw/zinc/17/60/84/276176084.db2.gz FXAPABGIHSGZCX-GVDBMIGSSA-N 1 3 264.457 3.300 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118029 276221575 /nfs/dbraw/zinc/22/15/75/276221575.db2.gz DGMOKJQLEQOMCR-KDOFPFPSSA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118029 276221578 /nfs/dbraw/zinc/22/15/78/276221578.db2.gz DGMOKJQLEQOMCR-KDOFPFPSSA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118029 276221580 /nfs/dbraw/zinc/22/15/80/276221580.db2.gz DGMOKJQLEQOMCR-KDOFPFPSSA-N 1 3 297.446 3.477 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000353940901 276331097 /nfs/dbraw/zinc/33/10/97/276331097.db2.gz CWKOKDLADSVPEJ-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449473359 277151507 /nfs/dbraw/zinc/15/15/07/277151507.db2.gz BOOJFHUMQGLMHU-OAHLLOKOSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CC[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000247069844 277359516 /nfs/dbraw/zinc/35/95/16/277359516.db2.gz QDALLSBLSOIZEI-ZACQAIPSSA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000367127852 277365175 /nfs/dbraw/zinc/36/51/75/277365175.db2.gz VSTSYQGHGCKNLO-BBWFWOEESA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000090585618 277391950 /nfs/dbraw/zinc/39/19/50/277391950.db2.gz JSVRTEXWRVJADK-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC1(C)C ZINC000487310272 277615263 /nfs/dbraw/zinc/61/52/63/277615263.db2.gz QNCGLAKEXSNLBL-CJNGLKHVSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)=CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000393907486 288000769 /nfs/dbraw/zinc/00/07/69/288000769.db2.gz IZXABYHTRPTYBN-MOPGFXCFSA-N 1 3 284.447 3.407 20 0 CGADHO CC(C)=CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000393907486 288000770 /nfs/dbraw/zinc/00/07/70/288000770.db2.gz IZXABYHTRPTYBN-MOPGFXCFSA-N 1 3 284.447 3.407 20 0 CGADHO CSC1(C[NH2+]C2CCN(C3CCCC3)CC2)CCC1 ZINC000376082117 278125310 /nfs/dbraw/zinc/12/53/10/278125310.db2.gz LLXSRLOUOVZKSA-UHFFFAOYSA-N 1 3 282.497 3.269 20 0 CGADHO CSC1(CNC2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000376082117 278125312 /nfs/dbraw/zinc/12/53/12/278125312.db2.gz LLXSRLOUOVZKSA-UHFFFAOYSA-N 1 3 282.497 3.269 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422919402 278169630 /nfs/dbraw/zinc/16/96/30/278169630.db2.gz JUCBZETUINEQPC-LDYMZIIASA-N 1 3 289.206 3.144 20 0 CGADHO C[C@@H](CC[NH+](C)C)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816377 278229228 /nfs/dbraw/zinc/22/92/28/278229228.db2.gz YOICTPGEHVXNRC-GUYCJALGSA-N 1 3 285.435 3.475 20 0 CGADHO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000340517761 278232062 /nfs/dbraw/zinc/23/20/62/278232062.db2.gz GFOCYRIPDZMYTA-RBSFLKMASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423294658 278245707 /nfs/dbraw/zinc/24/57/07/278245707.db2.gz CNJHTCLOVQBGFN-SMDDNHRTSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2c3ccccc3sc21 ZINC000423294658 278245709 /nfs/dbraw/zinc/24/57/09/278245709.db2.gz CNJHTCLOVQBGFN-SMDDNHRTSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C(C)(C)C ZINC000480600265 278258268 /nfs/dbraw/zinc/25/82/68/278258268.db2.gz IYBPCYIMOKMHRA-KFWWJZLASA-N 1 3 254.462 3.379 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000422787453 278275972 /nfs/dbraw/zinc/27/59/72/278275972.db2.gz MBYYUFJSPUGTPU-RBZJEDDUSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000342098402 278340491 /nfs/dbraw/zinc/34/04/91/278340491.db2.gz IGMXNIFIVVCMSU-SNVBAGLBSA-N 1 3 272.314 3.237 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CCO1 ZINC000423046631 278607195 /nfs/dbraw/zinc/60/71/95/278607195.db2.gz UHRQJKVZMRRZCS-NCOADZHNSA-N 1 3 282.472 3.077 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OC)cc1 ZINC000251131947 288066432 /nfs/dbraw/zinc/06/64/32/288066432.db2.gz YJOWZLZWIFHYGC-BHYGNILZSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(OC)cc1 ZINC000251131947 288066435 /nfs/dbraw/zinc/06/64/35/288066435.db2.gz YJOWZLZWIFHYGC-BHYGNILZSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)CC1CCCCC1 ZINC000414826741 279347178 /nfs/dbraw/zinc/34/71/78/279347178.db2.gz JKUYAXCNNOLVIT-GOEBONIOSA-N 1 3 252.446 3.182 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C)(C)CC2)C[C@@H](C)O1 ZINC000237503060 288159602 /nfs/dbraw/zinc/15/96/02/288159602.db2.gz ZCWZYKLVZYTTEM-HZPDHXFCSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)NC1CC[NH+](C(C)C)CC1 ZINC000437100745 280228960 /nfs/dbraw/zinc/22/89/60/280228960.db2.gz SUXKQRKKODHKKM-ZDUSSCGKSA-N 1 3 280.378 3.426 20 0 CGADHO Cc1cc(N2CCN(CC3CCCCC3)CC2)cc[nH+]1 ZINC000302604990 280558479 /nfs/dbraw/zinc/55/84/79/280558479.db2.gz ZPNBVVWXAUMAGJ-UHFFFAOYSA-N 1 3 273.424 3.092 20 0 CGADHO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000301158741 280567968 /nfs/dbraw/zinc/56/79/68/280567968.db2.gz QYIVUVCJFJXEHN-OAHLLOKOSA-N 1 3 281.403 3.218 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537271 288259646 /nfs/dbraw/zinc/25/96/46/288259646.db2.gz UWAAXPIQKHCEDJ-QWHCGFSZSA-N 1 3 274.399 3.274 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CC[C@H]2C2CC2)CC(C)(C)N1 ZINC000334275791 280913539 /nfs/dbraw/zinc/91/35/39/280913539.db2.gz CGUYPWCIEUCEOG-KBPBESRZSA-N 1 3 250.430 3.074 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H](C)CC[NH+](C)C)CCC2 ZINC000339067085 281094624 /nfs/dbraw/zinc/09/46/24/281094624.db2.gz IQMUNBWKLADPKF-YOEHRIQHSA-N 1 3 260.425 3.302 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCCC1(C)C ZINC000530209381 288300085 /nfs/dbraw/zinc/30/00/85/288300085.db2.gz JESWFFQSEFLPJA-QLFBSQMISA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H](C)C2 ZINC000423346157 281119415 /nfs/dbraw/zinc/11/94/15/281119415.db2.gz PSONVEVKJRTYMW-OLMNPRSZSA-N 1 3 272.436 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H](C)C2 ZINC000423346157 281119417 /nfs/dbraw/zinc/11/94/17/281119417.db2.gz PSONVEVKJRTYMW-OLMNPRSZSA-N 1 3 272.436 3.208 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCOCC1 ZINC000532442731 288361020 /nfs/dbraw/zinc/36/10/20/288361020.db2.gz IFUJRZAHBRPZIA-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](C[NH2+]CCCN1CCCCC1)Cc1ccccc1 ZINC000544403927 288846436 /nfs/dbraw/zinc/84/64/36/288846436.db2.gz AYWZCGMGBWTGTK-QGZVFWFLSA-N 1 3 274.452 3.331 20 0 CGADHO CCCC[N@H+](C)CC1CCN(CCc2cscn2)CC1 ZINC000550708586 289082915 /nfs/dbraw/zinc/08/29/15/289082915.db2.gz PBFAMJKVJBUCMU-UHFFFAOYSA-N 1 3 295.496 3.130 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(CCc2cscn2)CC1 ZINC000550708586 289082920 /nfs/dbraw/zinc/08/29/20/289082920.db2.gz PBFAMJKVJBUCMU-UHFFFAOYSA-N 1 3 295.496 3.130 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCN1CCCC1 ZINC000552040217 289152555 /nfs/dbraw/zinc/15/25/55/289152555.db2.gz MKUUKKVWTCTCLN-CQSZACIVSA-N 1 3 296.405 3.361 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000552321195 289181220 /nfs/dbraw/zinc/18/12/20/289181220.db2.gz LSSMUFXVURHJMO-YQFWSFKMSA-N 1 3 264.457 3.418 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442796589 289308827 /nfs/dbraw/zinc/30/88/27/289308827.db2.gz UKWBFADJWOXTEL-CLRIEMFWSA-N 1 3 274.399 3.273 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)c1cccnc1 ZINC000423182421 289735032 /nfs/dbraw/zinc/73/50/32/289735032.db2.gz LTMPCNRAQVWDBL-NVXWUHKLSA-N 1 3 289.467 3.260 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000562855876 289738910 /nfs/dbraw/zinc/73/89/10/289738910.db2.gz ZDERSQYBXBNDES-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357140 290059722 /nfs/dbraw/zinc/05/97/22/290059722.db2.gz HUYCBRORYJDNNY-SUNKGSAMSA-N 1 3 286.341 3.354 20 0 CGADHO COC[C@H](CCC[NH3+])N[C@H](c1ccccc1Cl)C(C)C ZINC000422749570 293098056 /nfs/dbraw/zinc/09/80/56/293098056.db2.gz ZSNIEXKVFAZZAY-BBRMVZONSA-N 1 3 298.858 3.381 20 0 CGADHO COc1ccc([C@H]([NH2+]C[C@@H](C)CN(C)C)C(C)C)cc1 ZINC000425946221 295245179 /nfs/dbraw/zinc/24/51/79/295245179.db2.gz OAHMKNPBDATMQM-RHSMWYFYSA-N 1 3 278.440 3.180 20 0 CGADHO COc1ccc([C@H](NC[C@@H](C)C[NH+](C)C)C(C)C)cc1 ZINC000425946221 295245181 /nfs/dbraw/zinc/24/51/81/295245181.db2.gz OAHMKNPBDATMQM-RHSMWYFYSA-N 1 3 278.440 3.180 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2sccc21 ZINC000227128947 295251168 /nfs/dbraw/zinc/25/11/68/295251168.db2.gz AVWJQZMGCBCJKC-IACUBPJLSA-N 1 3 264.438 3.233 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423279242 295256655 /nfs/dbraw/zinc/25/66/55/295256655.db2.gz RXLBQGJHDHEPJX-JLZZUVOBSA-N 1 3 288.435 3.135 20 0 CGADHO C[C@H](CC1CC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362959 298355745 /nfs/dbraw/zinc/35/57/45/298355745.db2.gz IOMCQZFVZUFBPW-ZLENFMNRSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000423074696 299001165 /nfs/dbraw/zinc/00/11/65/299001165.db2.gz MPQRWBQMOJDMEK-DRRXZNNHSA-N 1 3 296.499 3.181 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423194354 303379721 /nfs/dbraw/zinc/37/97/21/303379721.db2.gz RHTVRBIVPSTCQX-ZIAGYGMSSA-N 1 3 286.341 3.280 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252678762 303400627 /nfs/dbraw/zinc/40/06/27/303400627.db2.gz QWYXHCPFRKXDEC-RNJOBUHISA-N 1 3 278.362 3.215 20 0 CGADHO CCCCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000152209545 321695308 /nfs/dbraw/zinc/69/53/08/321695308.db2.gz QDGSUXIVNRDRON-HNNXBMFYSA-N 1 3 278.440 3.468 20 0 CGADHO Clc1cc2cccnc2c(CNCCC[NH+]2CCC2)c1 ZINC000564667038 322038486 /nfs/dbraw/zinc/03/84/86/322038486.db2.gz ICJGPGCPKYRKMS-UHFFFAOYSA-N 1 3 289.810 3.074 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)CC1 ZINC000565435395 322077762 /nfs/dbraw/zinc/07/77/62/322077762.db2.gz VEARPTPRDZOOPD-HOTGVXAUSA-N 1 3 250.430 3.291 20 0 CGADHO CN(C)[C@H]1CCC[N@H+]([C@H]2C=CCCCCC2)CC1 ZINC000565435395 322077763 /nfs/dbraw/zinc/07/77/63/322077763.db2.gz VEARPTPRDZOOPD-HOTGVXAUSA-N 1 3 250.430 3.291 20 0 CGADHO C[NH+](C)[C@H]1CCCN([C@H]2C=CCCCCC2)CC1 ZINC000565435395 322077765 /nfs/dbraw/zinc/07/77/65/322077765.db2.gz VEARPTPRDZOOPD-HOTGVXAUSA-N 1 3 250.430 3.291 20 0 CGADHO CN(C)CC[C@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000566054539 322102214 /nfs/dbraw/zinc/10/22/14/322102214.db2.gz JDOSNZSNLJQOKB-KRWDZBQOSA-N 1 3 289.467 3.026 20 0 CGADHO C(=C/c1ccccc1)\CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567501668 322166117 /nfs/dbraw/zinc/16/61/17/322166117.db2.gz BFISZSSCSHTZHS-UKTKYZJWSA-N 1 3 270.420 3.021 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1OCCN(C)C ZINC000568139339 322194407 /nfs/dbraw/zinc/19/44/07/322194407.db2.gz CLNHFGIGNGPLSF-MRXNPFEDSA-N 1 3 292.467 3.399 20 0 CGADHO CCOc1ccccc1[C@H](CC)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568249378 322200779 /nfs/dbraw/zinc/20/07/79/322200779.db2.gz ORXKIZCSEMUGIH-LZWOXQAQSA-N 1 3 276.424 3.396 20 0 CGADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H](N)CC(C)C)c1 ZINC000568368461 322206271 /nfs/dbraw/zinc/20/62/71/322206271.db2.gz PXAPXHPJVVQRJM-IAGOWNOFSA-N 1 3 290.451 3.076 20 0 CGADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@H](N)CC(C)C)c1 ZINC000568368461 322206274 /nfs/dbraw/zinc/20/62/74/322206274.db2.gz PXAPXHPJVVQRJM-IAGOWNOFSA-N 1 3 290.451 3.076 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCc1ccc(Cl)cc1 ZINC000569136314 322236225 /nfs/dbraw/zinc/23/62/25/322236225.db2.gz CFJFAUOVXHVFIQ-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000570696374 322279875 /nfs/dbraw/zinc/27/98/75/322279875.db2.gz LCLDZBZLBLLELL-ZNMIVQPWSA-N 1 3 278.465 3.417 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCc2cc(N)ccc21 ZINC000572857171 322358741 /nfs/dbraw/zinc/35/87/41/322358741.db2.gz OWDFAZHVLYTVSQ-QBIMZIAESA-N 1 3 287.451 3.157 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000379291520 328801374 /nfs/dbraw/zinc/80/13/74/328801374.db2.gz VMZOFQDZMHRMCN-HRCADAONSA-N 1 3 278.465 3.457 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCCCc2ccc(F)cc2)C1 ZINC000582617937 329118793 /nfs/dbraw/zinc/11/87/93/329118793.db2.gz ZZRZUXVVLOWFQF-DLBZAZTESA-N 1 3 278.415 3.398 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CCCC1 ZINC000395688352 329294427 /nfs/dbraw/zinc/29/44/27/329294427.db2.gz YQEGTUCXWOUDJZ-GDBMZVCRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576172573 335165168 /nfs/dbraw/zinc/16/51/68/335165168.db2.gz QCUNONWGCWKXNR-JKSUJKDBSA-N 1 3 290.451 3.222 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000576983678 335273221 /nfs/dbraw/zinc/27/32/21/335273221.db2.gz FLKQEBBSFOGYPR-CQSZACIVSA-N 1 3 250.430 3.029 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000577600773 335376275 /nfs/dbraw/zinc/37/62/75/335376275.db2.gz GTZAXEHXFDYOHW-DJIMGWMZSA-N 1 3 294.389 3.018 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCSc2ccccc2)C1 ZINC000578453114 335636781 /nfs/dbraw/zinc/63/67/81/335636781.db2.gz GVEMGZCIXRQOHJ-UONOGXRCSA-N 1 3 264.438 3.028 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1CC2CCC1CC2 ZINC000382159860 336083282 /nfs/dbraw/zinc/08/32/82/336083282.db2.gz PAQXTXJYWGYGSN-ZJPIFCFZSA-N 1 3 250.430 3.061 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000383266006 336106723 /nfs/dbraw/zinc/10/67/23/336106723.db2.gz HPOVHRCXFHZWOB-GVDBMIGSSA-N 1 3 272.436 3.357 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000385188066 336141463 /nfs/dbraw/zinc/14/14/63/336141463.db2.gz ODJBWLMVTQTOKG-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000581895281 336162444 /nfs/dbraw/zinc/16/24/44/336162444.db2.gz YXNWKAAULAGMJX-YVECIDJPSA-N 1 3 278.362 3.215 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccncc2F)C1 ZINC000449081112 533797312 /nfs/dbraw/zinc/79/73/12/533797312.db2.gz BVWQJKCPLLQFEL-GASCZTMLSA-N 1 3 293.430 3.068 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccncc2F)C1 ZINC000449081112 533797320 /nfs/dbraw/zinc/79/73/20/533797320.db2.gz BVWQJKCPLLQFEL-GASCZTMLSA-N 1 3 293.430 3.068 20 0 CGADHO C[C@@H]1C[C@H](CN(C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685069 533838574 /nfs/dbraw/zinc/83/85/74/533838574.db2.gz XSEYLJVSWHYAQC-CHWSQXEVSA-N 1 3 289.448 3.116 20 0 CGADHO c1cc2cccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)c2o1 ZINC000449072988 534476182 /nfs/dbraw/zinc/47/61/82/534476182.db2.gz HCWUJERPGSITSN-ZDUSSCGKSA-N 1 3 270.376 3.007 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CC2)CC1 ZINC000149524587 524131880 /nfs/dbraw/zinc/13/18/80/524131880.db2.gz HMKXMIPLOQHKIQ-CJNGLKHVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2CC2)CC1 ZINC000149524587 524131892 /nfs/dbraw/zinc/13/18/92/524131892.db2.gz HMKXMIPLOQHKIQ-CJNGLKHVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000157770233 524809388 /nfs/dbraw/zinc/80/93/88/524809388.db2.gz FPMVUUBPVDWNSQ-GUYCJALGSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157770233 524809393 /nfs/dbraw/zinc/80/93/93/524809393.db2.gz FPMVUUBPVDWNSQ-GUYCJALGSA-N 1 3 258.409 3.136 20 0 CGADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC000423302310 526309781 /nfs/dbraw/zinc/30/97/81/526309781.db2.gz VKOIMXPXVOSIGL-MSNYOWOLSA-N 1 3 290.451 3.147 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]CC[C@@H]1CCOC1 ZINC000437954874 527032589 /nfs/dbraw/zinc/03/25/89/527032589.db2.gz NMJQGFSPNSDZIK-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO CC(C)(N)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423281792 527257482 /nfs/dbraw/zinc/25/74/82/527257482.db2.gz BTCWKMHNDRQKDN-OAHLLOKOSA-N 1 3 264.388 3.384 20 0 CGADHO C/C=C/COc1ccc(CC[C@@H](C)NCC(C)(C)[NH3+])cc1 ZINC000423289361 527615069 /nfs/dbraw/zinc/61/50/69/527615069.db2.gz WZVTYDJHNPQOHV-LLYBFZRZSA-N 1 3 290.451 3.290 20 0 CGADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC[C@H](C)N)cc1 ZINC000423223879 527615391 /nfs/dbraw/zinc/61/53/91/527615391.db2.gz HQNSBARSSZAJPV-SWJNODNISA-N 1 3 290.451 3.290 20 0 CGADHO C/C=C/COc1ccc(CC[C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423223879 527615395 /nfs/dbraw/zinc/61/53/95/527615395.db2.gz HQNSBARSSZAJPV-SWJNODNISA-N 1 3 290.451 3.290 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449203565 527987538 /nfs/dbraw/zinc/98/75/38/527987538.db2.gz HFOMAROBPZCXDW-NVXWUHKLSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449203565 527987545 /nfs/dbraw/zinc/98/75/45/527987545.db2.gz HFOMAROBPZCXDW-NVXWUHKLSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449203565 527987550 /nfs/dbraw/zinc/98/75/50/527987550.db2.gz HFOMAROBPZCXDW-NVXWUHKLSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)c1ccc([C@H](C)N[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422687620 528140890 /nfs/dbraw/zinc/14/08/90/528140890.db2.gz BOVXPDVZUMHLQC-IDCJVQTKSA-N 1 3 290.451 3.213 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414923568 528173673 /nfs/dbraw/zinc/17/36/73/528173673.db2.gz INGKHBXLNOESLO-CVEARBPZSA-N 1 3 276.424 3.081 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](c2cccnc2)C(C)C)C1 ZINC000359386609 528261041 /nfs/dbraw/zinc/26/10/41/528261041.db2.gz KUMIYBWLRBKRKV-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261521 528533279 /nfs/dbraw/zinc/53/32/79/528533279.db2.gz JZMLHQCKRFSASI-MFKMUULPSA-N 1 3 274.330 3.339 20 0 CGADHO CCOc1ccc([C@@H](CC)[NH2+]C[C@@H](N)CC)cc1OCC ZINC000423483603 528598181 /nfs/dbraw/zinc/59/81/81/528598181.db2.gz YAJVYWGVEQKCLY-LSDHHAIUSA-N 1 3 294.439 3.262 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000423382418 528629916 /nfs/dbraw/zinc/62/99/16/528629916.db2.gz OXGMIRXMFWXYJO-ZQIUZPCESA-N 1 3 260.425 3.430 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423287430 528954685 /nfs/dbraw/zinc/95/46/85/528954685.db2.gz MFQQDEBDHQADRN-HOCLYGCPSA-N 1 3 275.440 3.215 20 0 CGADHO CC(C)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422803338 529015189 /nfs/dbraw/zinc/01/51/89/529015189.db2.gz CSBLEALFMGHWQT-OIISXLGYSA-N 1 3 260.425 3.014 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423432388 529029179 /nfs/dbraw/zinc/02/91/79/529029179.db2.gz BJLQKIGWLYTHLL-IPYPFGDCSA-N 1 3 266.454 3.129 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423284490 529068436 /nfs/dbraw/zinc/06/84/36/529068436.db2.gz YCQZQKJWXPZPOZ-SMDDNHRTSA-N 1 3 288.357 3.209 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423326113 529122682 /nfs/dbraw/zinc/12/26/82/529122682.db2.gz QMYKFZADVUSUJH-GJZGRUSLSA-N 1 3 266.816 3.364 20 0 CGADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423333262 529158088 /nfs/dbraw/zinc/15/80/88/529158088.db2.gz DYZXRMICXBXTGM-OAHLLOKOSA-N 1 3 294.826 3.309 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Br)cc1 ZINC000423316489 529173427 /nfs/dbraw/zinc/17/34/27/529173427.db2.gz JQQSTJYYXXIFHQ-ZIAGYGMSSA-N 1 3 297.240 3.227 20 0 CGADHO CCSCCNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437349818 529180949 /nfs/dbraw/zinc/18/09/49/529180949.db2.gz UJEZHFPNSNDSMR-HNNXBMFYSA-N 1 3 270.486 3.126 20 0 CGADHO CCSCCNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437349818 529180952 /nfs/dbraw/zinc/18/09/52/529180952.db2.gz UJEZHFPNSNDSMR-HNNXBMFYSA-N 1 3 270.486 3.126 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000459749289 535943605 /nfs/dbraw/zinc/94/36/05/535943605.db2.gz YKMGVIFIBALCEI-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000459749289 535943612 /nfs/dbraw/zinc/94/36/12/535943612.db2.gz YKMGVIFIBALCEI-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329645 571740303 /nfs/dbraw/zinc/74/03/03/571740303.db2.gz WZWPTLYLBAAQMA-CPUCHLNUSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329645 571740305 /nfs/dbraw/zinc/74/03/05/571740305.db2.gz WZWPTLYLBAAQMA-CPUCHLNUSA-N 1 3 258.409 3.055 20 0 CGADHO CC(C)Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cn1 ZINC000892479689 618803237 /nfs/dbraw/zinc/80/32/37/618803237.db2.gz KUAOHWDXHHOOGG-UHFFFAOYSA-N 1 3 289.467 3.243 20 0 CGADHO COCCCC1(C[NH2+]C2CCN(CC(C)C)CC2)CCC1 ZINC000892531698 618850277 /nfs/dbraw/zinc/85/02/77/618850277.db2.gz AEQHQSLMYNUQAI-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)c1ccccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000783315222 618908546 /nfs/dbraw/zinc/90/85/46/618908546.db2.gz AETKUIPPPYNUPA-ZBFHGGJFSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000783315222 618908548 /nfs/dbraw/zinc/90/85/48/618908548.db2.gz AETKUIPPPYNUPA-ZBFHGGJFSA-N 1 3 260.425 3.382 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCS1 ZINC000925553926 619053561 /nfs/dbraw/zinc/05/35/61/619053561.db2.gz WGIWNKBVDAYUMJ-BZUAXINKSA-N 1 3 282.497 3.030 20 0 CGADHO COc1ccc([C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C2CC2)cc1 ZINC000925582257 619073403 /nfs/dbraw/zinc/07/34/03/619073403.db2.gz DNXKNLWXCLNWKG-YESZJQIVSA-N 1 3 286.419 3.006 20 0 CGADHO CCO[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925658060 619113105 /nfs/dbraw/zinc/11/31/05/619113105.db2.gz GMDQTEQVNINMOL-GVDBMIGSSA-N 1 3 290.451 3.260 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC2CC(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925663699 619117792 /nfs/dbraw/zinc/11/77/92/619117792.db2.gz WXRJRXVTSNWHJK-GDVJOBBMSA-N 1 3 290.838 3.446 20 0 CGADHO CC(C)(CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(F)(F)F ZINC000925666474 619119984 /nfs/dbraw/zinc/11/99/84/619119984.db2.gz PRRALYWREAATGI-CHWSQXEVSA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C(F)(F)F ZINC000925666474 619119987 /nfs/dbraw/zinc/11/99/87/619119987.db2.gz PRRALYWREAATGI-CHWSQXEVSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@@H]([NH2+]C(C)(C)CNC[C@@H]1CCC=CO1)c1ccccc1 ZINC000194439747 619139866 /nfs/dbraw/zinc/13/98/66/619139866.db2.gz HIYXEVDEJUZVCD-WBVHZDCISA-N 1 3 288.435 3.398 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC000931437278 619163326 /nfs/dbraw/zinc/16/33/26/619163326.db2.gz QVECOKHFLKBDCI-CABCVRRESA-N 1 3 280.362 3.008 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC000931437278 619163328 /nfs/dbraw/zinc/16/33/28/619163328.db2.gz QVECOKHFLKBDCI-CABCVRRESA-N 1 3 280.362 3.008 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CCCC12CC2 ZINC000925720207 619164952 /nfs/dbraw/zinc/16/49/52/619164952.db2.gz WKLJLMUHRRHSQI-YESZJQIVSA-N 1 3 276.468 3.325 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925840343 619289914 /nfs/dbraw/zinc/28/99/14/619289914.db2.gz VEIZCMLTRYHJGM-DRPJVOAASA-N 1 3 294.389 3.013 20 0 CGADHO CCOc1ccc(CNCCCCC[NH+]2CCCC2)o1 ZINC000894626500 619591654 /nfs/dbraw/zinc/59/16/54/619591654.db2.gz VAIYNFHAWZXAGF-UHFFFAOYSA-N 1 3 280.412 3.034 20 0 CGADHO C[C@H](CC[NH2+]Cc1cc2ccnc(Cl)c2s1)N(C)C ZINC000895290235 619796731 /nfs/dbraw/zinc/79/67/31/619796731.db2.gz DIBRMERKTIEIRL-SNVBAGLBSA-N 1 3 297.855 3.380 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@@H](C)N(C)C ZINC000895296561 619799543 /nfs/dbraw/zinc/79/95/43/619799543.db2.gz OZSYCUDURKDGED-ZIAGYGMSSA-N 1 3 266.404 3.077 20 0 CGADHO CC1([NH+]2CCC2)CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000895672460 619870061 /nfs/dbraw/zinc/87/00/61/619870061.db2.gz ZCFYBDAIOISARI-QZTJIDSGSA-N 1 3 284.447 3.350 20 0 CGADHO COC1CCC(CN2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000895737422 619880739 /nfs/dbraw/zinc/88/07/39/619880739.db2.gz UMIJVEOFYDZFHN-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392816 621302908 /nfs/dbraw/zinc/30/29/08/621302908.db2.gz NHZUDGDSLHUORZ-BHYGNILZSA-N 1 3 272.436 3.219 20 0 CGADHO CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000902430917 621315385 /nfs/dbraw/zinc/31/53/85/621315385.db2.gz JYQFLOFCXSVDCJ-DLBZAZTESA-N 1 3 288.435 3.174 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903329662 621703839 /nfs/dbraw/zinc/70/38/39/621703839.db2.gz CLNXBURMKVVGRL-VYDXJSESSA-N 1 3 296.499 3.433 20 0 CGADHO COC(C)(C)[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903329662 621703846 /nfs/dbraw/zinc/70/38/46/621703846.db2.gz CLNXBURMKVVGRL-VYDXJSESSA-N 1 3 296.499 3.433 20 0 CGADHO CC[C@H](C)[C@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385004 621725710 /nfs/dbraw/zinc/72/57/10/621725710.db2.gz UZLHMBLHWFNVIA-OFQRWUPVSA-N 1 3 263.429 3.099 20 0 CGADHO CC(C)(NCc1cccc2c1CC[NH2+]C2)c1cccc(F)c1 ZINC000903897524 621829026 /nfs/dbraw/zinc/82/90/26/621829026.db2.gz FLJSGLPABSTGRQ-UHFFFAOYSA-N 1 3 298.405 3.496 20 0 CGADHO C[C@@H](CN(C)C[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904315403 621903882 /nfs/dbraw/zinc/90/38/82/621903882.db2.gz BOZUFDVOZVIZSC-RDJZCZTQSA-N 1 3 260.425 3.112 20 0 CGADHO [NH3+][C@H]1C[C@@H](CN2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000904346601 621910254 /nfs/dbraw/zinc/91/02/54/621910254.db2.gz VZUOPHVQXHVXBY-GHJWDPDVSA-N 1 3 280.362 3.229 20 0 CGADHO [NH3+]CC1CC(N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000904363720 621914799 /nfs/dbraw/zinc/91/47/99/621914799.db2.gz MLTYJWYCXONKFZ-LDUAJXOISA-N 1 3 290.304 3.146 20 0 CGADHO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCO1 ZINC000152894346 623732655 /nfs/dbraw/zinc/73/26/55/623732655.db2.gz PDAVFZKFHDPKJR-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCO1 ZINC000152894346 623732673 /nfs/dbraw/zinc/73/26/73/623732673.db2.gz PDAVFZKFHDPKJR-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1nc(C)c(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000922502699 626009933 /nfs/dbraw/zinc/00/99/33/626009933.db2.gz GFBASFOWACHBMP-UHFFFAOYSA-N 1 3 291.439 3.178 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289609 626143316 /nfs/dbraw/zinc/14/33/16/626143316.db2.gz RAPFLZTYFWKDIG-DZGCQCFKSA-N 1 3 250.430 3.016 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289609 626143320 /nfs/dbraw/zinc/14/33/20/626143320.db2.gz RAPFLZTYFWKDIG-DZGCQCFKSA-N 1 3 250.430 3.016 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289612 626143502 /nfs/dbraw/zinc/14/35/02/626143502.db2.gz RAPFLZTYFWKDIG-HIFRSBDPSA-N 1 3 250.430 3.016 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289612 626143505 /nfs/dbraw/zinc/14/35/05/626143505.db2.gz RAPFLZTYFWKDIG-HIFRSBDPSA-N 1 3 250.430 3.016 20 0 CGADHO CCCCCC[C@H](O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000759363410 626891177 /nfs/dbraw/zinc/89/11/77/626891177.db2.gz QPUFTGXEWDLOMR-KRWDZBQOSA-N 1 3 284.488 3.122 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620504 628289524 /nfs/dbraw/zinc/28/95/24/628289524.db2.gz QZAJLXQIKDLSBN-RHSMWYFYSA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620504 628289525 /nfs/dbraw/zinc/28/95/25/628289525.db2.gz QZAJLXQIKDLSBN-RHSMWYFYSA-N 1 3 278.415 3.318 20 0 CGADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000816648242 632036119 /nfs/dbraw/zinc/03/61/19/632036119.db2.gz HMBWCJAITRCQGC-CVEARBPZSA-N 1 3 288.435 3.001 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCCC[C@H]1N)CCC2 ZINC000817921772 632235092 /nfs/dbraw/zinc/23/50/92/632235092.db2.gz IGOZJQKCFZEEJU-MBNYWOFBSA-N 1 3 279.453 3.079 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1(Cl)Cl ZINC000817935765 632237190 /nfs/dbraw/zinc/23/71/90/632237190.db2.gz DEKPIJWVCTUWBL-TUAOUCFPSA-N 1 3 279.255 3.068 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000866282884 633064994 /nfs/dbraw/zinc/06/49/94/633064994.db2.gz SBACKLSORBLZPY-VKJFTORMSA-N 1 3 288.435 3.145 20 0 CGADHO CC(C)[NH+]1CCC(N[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000866606786 633210043 /nfs/dbraw/zinc/21/00/43/633210043.db2.gz HRQSZJYYMSHRFI-ZIAGYGMSSA-N 1 3 290.373 3.346 20 0 CGADHO CC[C@H](C[C@H](C)O)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000866637628 633226369 /nfs/dbraw/zinc/22/63/69/633226369.db2.gz YAHQOMBCAILIJY-KYHPRHEASA-N 1 3 296.499 3.169 20 0 CGADHO CC(C)OC1(CNC2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000872116536 634041910 /nfs/dbraw/zinc/04/19/10/634041910.db2.gz MMYKEKYLWFRTPK-UHFFFAOYSA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)[NH+]1CCC(NCc2cccc3ncccc23)CC1 ZINC000872124136 634046937 /nfs/dbraw/zinc/04/69/37/634046937.db2.gz FFXVUZFBBHOCCT-UHFFFAOYSA-N 1 3 283.419 3.197 20 0 CGADHO C[C@H](CCC(F)(F)F)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238415 634296574 /nfs/dbraw/zinc/29/65/74/634296574.db2.gz ZSQTZIYBKIIZCA-MNOVXSKESA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H](CCCc1cccnc1)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238062 634296952 /nfs/dbraw/zinc/29/69/52/634296952.db2.gz WHNKCSNWWGHZEY-NVXWUHKLSA-N 1 3 289.467 3.161 20 0 CGADHO Cc1cc(C)cc(CCNC2CC([NH+]3CCCCC3)C2)c1 ZINC000877492108 635058659 /nfs/dbraw/zinc/05/86/59/635058659.db2.gz RLICKIPAVRZHCV-UHFFFAOYSA-N 1 3 286.463 3.452 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000841055510 635115633 /nfs/dbraw/zinc/11/56/33/635115633.db2.gz OVYHXYPULNNNMZ-KBPBESRZSA-N 1 3 298.377 3.264 20 0 CGADHO C[NH+](C)C1(C)CCC(NCc2nc3ccccc3o2)CC1 ZINC000877711270 635159866 /nfs/dbraw/zinc/15/98/66/635159866.db2.gz BPMPYLSBGUHCSY-UHFFFAOYSA-N 1 3 287.407 3.180 20 0 CGADHO Cc1cc(F)c(CNC2CCC([NH3+])CC2)c(Cl)c1 ZINC000843107360 635560969 /nfs/dbraw/zinc/56/09/69/635560969.db2.gz GPTYTBQTPFEKRR-UHFFFAOYSA-N 1 3 270.779 3.147 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC[C@@H]1CCCC1(F)F)C2 ZINC000878663501 635595457 /nfs/dbraw/zinc/59/54/57/635595457.db2.gz ZYXQUDOTMVYWKQ-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC[C@@H]1CCCC1(F)F)C2 ZINC000878663501 635595458 /nfs/dbraw/zinc/59/54/58/635595458.db2.gz ZYXQUDOTMVYWKQ-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO C[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)[C@@H]1CCN ZINC000883434852 636755178 /nfs/dbraw/zinc/75/51/78/636755178.db2.gz CKNUIOBHYSDEQI-MGPQQGTHSA-N 1 3 274.399 3.261 20 0 CGADHO C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)[C@@H]1CCN ZINC000883434852 636755181 /nfs/dbraw/zinc/75/51/81/636755181.db2.gz CKNUIOBHYSDEQI-MGPQQGTHSA-N 1 3 274.399 3.261 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000883439394 636757231 /nfs/dbraw/zinc/75/72/31/636757231.db2.gz QAGQJNHSMBCETG-WMLDXEAASA-N 1 3 282.472 3.031 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000883439394 636757241 /nfs/dbraw/zinc/75/72/41/636757241.db2.gz QAGQJNHSMBCETG-WMLDXEAASA-N 1 3 282.472 3.031 20 0 CGADHO CC[C@H]1COC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850540594 637114507 /nfs/dbraw/zinc/11/45/07/637114507.db2.gz NQPNPVUPTYAKQC-WMZOPIPTSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H]1COC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850540594 637114513 /nfs/dbraw/zinc/11/45/13/637114513.db2.gz NQPNPVUPTYAKQC-WMZOPIPTSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)n1 ZINC000852752811 637706993 /nfs/dbraw/zinc/70/69/93/637706993.db2.gz MMDNUMIRTSYDRL-CYBMUJFWSA-N 1 3 293.842 3.007 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[NH2+]CCCN1CCC(C)CC1 ZINC000221825921 637754180 /nfs/dbraw/zinc/75/41/80/637754180.db2.gz CMOKRQGUMSQUJQ-INIZCTEOSA-N 1 3 292.442 3.468 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108872 637905769 /nfs/dbraw/zinc/90/57/69/637905769.db2.gz BVFGGNHATYMYNR-JQFCIGGWSA-N 1 3 288.435 3.145 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108872 637905772 /nfs/dbraw/zinc/90/57/72/637905772.db2.gz BVFGGNHATYMYNR-JQFCIGGWSA-N 1 3 288.435 3.145 20 0 CGADHO COc1cc(C)c([C@H](C)[NH2+]CC2(N)CCCC2)cc1C ZINC000854222482 638026642 /nfs/dbraw/zinc/02/66/42/638026642.db2.gz HIWXIBBJHSBQHG-AWEZNQCLSA-N 1 3 276.424 3.234 20 0 CGADHO Fc1ccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925488547 638120333 /nfs/dbraw/zinc/12/03/33/638120333.db2.gz KNIFOZDNMSOQGL-ZWKOTPCHSA-N 1 3 290.426 3.126 20 0 CGADHO COc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924616807 638376858 /nfs/dbraw/zinc/37/68/58/638376858.db2.gz WASQLVYNCUAYPE-CQSZACIVSA-N 1 3 299.418 3.003 20 0 CGADHO C[C@@H](NCCCCCCC[NH+]1CCCC1)c1cn(C)cn1 ZINC000924959174 638431979 /nfs/dbraw/zinc/43/19/79/638431979.db2.gz TXIHOMVJMABDOG-MRXNPFEDSA-N 1 3 292.471 3.117 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2[C@H](C)CC[C@H]2C)C1 ZINC000924962034 638433041 /nfs/dbraw/zinc/43/30/41/638433041.db2.gz YEXRLESAOGMRGN-KFWWJZLASA-N 1 3 252.446 3.131 20 0 CGADHO CO[C@@H](CNC1CC[NH+](CCC(C)C)CC1)C(C)(C)C ZINC000925186998 638470647 /nfs/dbraw/zinc/47/06/47/638470647.db2.gz AYQAMHICELHDMP-INIZCTEOSA-N 1 3 284.488 3.148 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCSc2ccc(Cl)cc2)C12CCC2 ZINC000925516976 638516596 /nfs/dbraw/zinc/51/65/96/638516596.db2.gz VTAJJYYNOSIBEZ-KGLIPLIRSA-N 1 3 296.867 3.292 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925543733 638523675 /nfs/dbraw/zinc/52/36/75/638523675.db2.gz WKJRWHMYUSTHRI-JHJVBQTASA-N 1 3 290.373 3.229 20 0 CGADHO Cc1occc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925610396 638544832 /nfs/dbraw/zinc/54/48/32/638544832.db2.gz BHUQNWQRWLUFPF-MRXNPFEDSA-N 1 3 258.365 3.158 20 0 CGADHO CC1(C)C[C@@H](N[C@@H](c2cccnc2)C2CC2)C[C@@H]([NH3+])C1 ZINC000925632090 638550082 /nfs/dbraw/zinc/55/00/82/638550082.db2.gz ZTZOVXWFPNQDHZ-OWCLPIDISA-N 1 3 273.424 3.028 20 0 CGADHO CCC(C)(C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925650658 638556836 /nfs/dbraw/zinc/55/68/36/638556836.db2.gz QLDPQAQWSQSAII-CABCVRRESA-N 1 3 252.446 3.181 20 0 CGADHO [NH3+]CCC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1ccccc1 ZINC000925706064 638573646 /nfs/dbraw/zinc/57/36/46/638573646.db2.gz DXSPXDJRZGLKPS-OTWHNJEPSA-N 1 3 296.414 3.235 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC[C@@H]1CCCC12CC2)c1ccccc1 ZINC000925719882 638579086 /nfs/dbraw/zinc/57/90/86/638579086.db2.gz VVBVNCRSJXJEGZ-CWRNSKLLSA-N 1 3 258.409 3.245 20 0 CGADHO CCC(CC)(CN[C@H]1C[C@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925734100 638587759 /nfs/dbraw/zinc/58/77/59/638587759.db2.gz NIWAXVRIIRMQRU-QWRGUYRKSA-N 1 3 278.362 3.215 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1C[C@H](N)C12CCC2)C(F)(F)F ZINC000925734100 638587768 /nfs/dbraw/zinc/58/77/68/638587768.db2.gz NIWAXVRIIRMQRU-QWRGUYRKSA-N 1 3 278.362 3.215 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC(F)F ZINC000925734275 638588568 /nfs/dbraw/zinc/58/85/68/638588568.db2.gz PUJSIIDOJUQAAO-KGLIPLIRSA-N 1 3 288.426 3.426 20 0 CGADHO CCCOc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000925739943 638591849 /nfs/dbraw/zinc/59/18/49/638591849.db2.gz BVHAJYCOEQDPQA-CYBMUJFWSA-N 1 3 264.413 3.253 20 0 CGADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)CCC2 ZINC000925784464 638613067 /nfs/dbraw/zinc/61/30/67/638613067.db2.gz RXNMDCTXIWHNFF-DOMZBBRYSA-N 1 3 298.352 3.038 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000925786772 638614889 /nfs/dbraw/zinc/61/48/89/638614889.db2.gz UMKPEFSOAUIWLG-OPDFLTKYSA-N 1 3 264.438 3.132 20 0 CGADHO COc1ccc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000925833851 638627029 /nfs/dbraw/zinc/62/70/29/638627029.db2.gz KWDKHLDSLORJDQ-MAUKXSAKSA-N 1 3 298.430 3.108 20 0 CGADHO CC[C@@H](COCC1CC1)NC1CC[NH+](CCC(C)C)CC1 ZINC000926683432 638798200 /nfs/dbraw/zinc/79/82/00/638798200.db2.gz MZXVOSACQYDEQA-KRWDZBQOSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000926739088 638805743 /nfs/dbraw/zinc/80/57/43/638805743.db2.gz XLNIYGNBGARRQO-CYBMUJFWSA-N 1 3 274.399 3.132 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000929998715 638967604 /nfs/dbraw/zinc/96/76/04/638967604.db2.gz GAIZRSOALHZWBK-ULQDDVLXSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000929998715 638967606 /nfs/dbraw/zinc/96/76/06/638967606.db2.gz GAIZRSOALHZWBK-ULQDDVLXSA-N 1 3 294.483 3.140 20 0 CGADHO CCC1([NH+]2CCCC2)CCN([C@H](C)C2CC2)CC1 ZINC000931465531 639155361 /nfs/dbraw/zinc/15/53/61/639155361.db2.gz RKZCLHMWAFHTFF-CQSZACIVSA-N 1 3 250.430 3.125 20 0 CGADHO C1=CO[C@H](CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000188570480 640143683 /nfs/dbraw/zinc/14/36/83/640143683.db2.gz WBJFKEMLPKUDHB-KRWDZBQOSA-N 1 3 278.440 3.066 20 0 CGADHO Cc1cc(C)nc(NCC2CC[NH+](C(C)C)CC2)c1 ZINC001156494955 805703201 /nfs/dbraw/zinc/70/32/01/805703201.db2.gz MDDCSMYUPXFAFT-UHFFFAOYSA-N 1 3 261.413 3.231 20 0 CGADHO Cc1nc2ccc(Nc3cccc4c3CC[NH2+]C4)cc2[nH]1 ZINC001159548161 806120645 /nfs/dbraw/zinc/12/06/45/806120645.db2.gz YRVBYQFHDQJNCR-UHFFFAOYSA-N 1 3 278.359 3.261 20 0 CGADHO Cc1nc2ccc(Nc3cccc4c3C[NH2+]C4)cc2[nH]1 ZINC001159767962 806169673 /nfs/dbraw/zinc/16/96/73/806169673.db2.gz XAOXPUYIPPXTNK-UHFFFAOYSA-N 1 3 264.332 3.218 20 0 CGADHO COc1cccc(C2(N[C@@H]3CCC[N@H+](C)CC3)CCC2)c1 ZINC001254511347 806429597 /nfs/dbraw/zinc/42/95/97/806429597.db2.gz ZMSLLYPQBZSVJM-MRXNPFEDSA-N 1 3 288.435 3.148 20 0 CGADHO COc1cccc(C2(N[C@@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254511347 806429602 /nfs/dbraw/zinc/42/96/02/806429602.db2.gz ZMSLLYPQBZSVJM-MRXNPFEDSA-N 1 3 288.435 3.148 20 0 CGADHO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH]c(N)nc3c2)c1 ZINC001162908024 806682982 /nfs/dbraw/zinc/68/29/82/806682982.db2.gz JDZNNEVSTPMNKU-SNVBAGLBSA-N 1 3 291.358 3.109 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000037149944 798860389 /nfs/dbraw/zinc/86/03/89/798860389.db2.gz AUCLFGLGTGJDDY-UHFFFAOYSA-N 1 3 260.425 3.349 20 0 CGADHO CCCOc1cccc(C[NH2+]CC(C)(C)CN(C)C)c1 ZINC000037996725 798883582 /nfs/dbraw/zinc/88/35/82/798883582.db2.gz IHRVMICHQWVINF-UHFFFAOYSA-N 1 3 278.440 3.153 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC000094901355 798972114 /nfs/dbraw/zinc/97/21/14/798972114.db2.gz KRDOVFGVNOUFMQ-CRAIPNDOSA-N 1 3 274.452 3.444 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Cl)n1 ZINC000688597168 799752697 /nfs/dbraw/zinc/75/26/97/799752697.db2.gz IVTYEHUCSDFMTN-IUODEOHRSA-N 1 3 295.858 3.383 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCSCc1ccco1 ZINC001255943656 806790985 /nfs/dbraw/zinc/79/09/85/806790985.db2.gz PKPXDCPBWWFKPA-CQSZACIVSA-N 1 3 284.469 3.223 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCSCc1ccco1 ZINC001255943656 806790989 /nfs/dbraw/zinc/79/09/89/806790989.db2.gz PKPXDCPBWWFKPA-CQSZACIVSA-N 1 3 284.469 3.223 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708815894 799995449 /nfs/dbraw/zinc/99/54/49/799995449.db2.gz RYNVYNJUQNEELS-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708815894 799995451 /nfs/dbraw/zinc/99/54/51/799995451.db2.gz RYNVYNJUQNEELS-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708849730 799996826 /nfs/dbraw/zinc/99/68/26/799996826.db2.gz LUYXEEMPUDIGMW-BMFZPTHFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708849730 799996831 /nfs/dbraw/zinc/99/68/31/799996831.db2.gz LUYXEEMPUDIGMW-BMFZPTHFSA-N 1 3 250.430 3.029 20 0 CGADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000709816234 800020658 /nfs/dbraw/zinc/02/06/58/800020658.db2.gz IDOYREDUFUEPOM-YUTCNCBUSA-N 1 3 284.325 3.017 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCC12CCC2 ZINC001255955970 806798692 /nfs/dbraw/zinc/79/86/92/806798692.db2.gz YGHTUUXTDFLCBZ-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956064 806798833 /nfs/dbraw/zinc/79/88/33/806798833.db2.gz GPGVNYDXORWTOA-MCIONIFRSA-N 1 3 274.399 3.084 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956064 806798836 /nfs/dbraw/zinc/79/88/36/806798836.db2.gz GPGVNYDXORWTOA-MCIONIFRSA-N 1 3 274.399 3.084 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956064 806798838 /nfs/dbraw/zinc/79/88/38/806798838.db2.gz GPGVNYDXORWTOA-MCIONIFRSA-N 1 3 274.399 3.084 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC001255964399 806802216 /nfs/dbraw/zinc/80/22/16/806802216.db2.gz RWEMCXGGXXIFBX-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC001255964399 806802221 /nfs/dbraw/zinc/80/22/21/806802221.db2.gz RWEMCXGGXXIFBX-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000714751898 800128701 /nfs/dbraw/zinc/12/87/01/800128701.db2.gz JOQNPVUNDXJMFW-NEPJUHHUSA-N 1 3 278.362 3.311 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C1 ZINC000715255024 800133092 /nfs/dbraw/zinc/13/30/92/800133092.db2.gz JDGKTFJFZXBWJO-ZQDZILKHSA-N 1 3 270.486 3.123 20 0 CGADHO C[C@@H](NC1CCC(C)([NH+](C)C)CC1)c1cscn1 ZINC000715530015 800137473 /nfs/dbraw/zinc/13/74/73/800137473.db2.gz WIQCMAVKKVBAIO-LKSINWNRSA-N 1 3 267.442 3.057 20 0 CGADHO C[C@H](c1ccc(Br)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000723675260 800336167 /nfs/dbraw/zinc/33/61/67/800336167.db2.gz VZZUWCZDYJTNEV-VXGBXAGGSA-N 1 3 297.240 3.181 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCCc3ccccc3C2)CC1 ZINC000925761477 800633221 /nfs/dbraw/zinc/63/32/21/800633221.db2.gz VUXZSOLBPNGDDG-QGZVFWFLSA-N 1 3 272.436 3.137 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CCC(C)C)C[C@H]2C1 ZINC001256371002 806874440 /nfs/dbraw/zinc/87/44/40/806874440.db2.gz FCVSUGFQJOHWKF-ARFHVFGLSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2cccs2)CC1 ZINC001256557768 806914603 /nfs/dbraw/zinc/91/46/03/806914603.db2.gz ODLKKTRQFABOHE-UHFFFAOYSA-N 1 3 266.454 3.143 20 0 CGADHO CC(C)(C)N1CCC([NH+]2CCC(C)(F)CC2)CC1 ZINC001256568981 806918450 /nfs/dbraw/zinc/91/84/50/806918450.db2.gz MVYYQYWHUBQHKW-UHFFFAOYSA-N 1 3 256.409 3.073 20 0 CGADHO CCCCCN1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256572697 806919715 /nfs/dbraw/zinc/91/97/15/806919715.db2.gz VOFZUMUGRJNUFB-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO CCC1([NH2+]C2CCC(N3CCOCC3)CC2)CCCCC1 ZINC001256682571 806946986 /nfs/dbraw/zinc/94/69/86/806946986.db2.gz MKEFWIBRWXRYOV-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001118020358 802518755 /nfs/dbraw/zinc/51/87/55/802518755.db2.gz VHULVDGUCAMUJH-NEPJUHHUSA-N 1 3 288.357 3.224 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC001119623576 802685942 /nfs/dbraw/zinc/68/59/42/802685942.db2.gz IZPASPIKNQLSMS-QAPCUYQASA-N 1 3 287.451 3.244 20 0 CGADHO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC001200813184 811748248 /nfs/dbraw/zinc/74/82/48/811748248.db2.gz VIGDJSSZFRHZAM-SJORKVTESA-N 1 3 290.451 3.438 20 0 CGADHO CCc1cc(CN2CCC(CC[NH3+])CC2)ccc1Cl ZINC001206506448 813338521 /nfs/dbraw/zinc/33/85/21/813338521.db2.gz ATRZXRGKWMYFPL-UHFFFAOYSA-N 1 3 280.843 3.463 20 0 CGADHO Cc1cccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246070725 804108035 /nfs/dbraw/zinc/10/80/35/804108035.db2.gz DYIWMUBJUXLFCF-PMACEKPBSA-N 1 3 294.442 3.448 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246074290 804112865 /nfs/dbraw/zinc/11/28/65/804112865.db2.gz NHSAAXIZPQEIEO-HOTGVXAUSA-N 1 3 278.415 3.125 20 0 CGADHO CC[C@H]1CC(NCCc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246074729 804114262 /nfs/dbraw/zinc/11/42/62/804114262.db2.gz PZQAULMKCUBALH-GJZGRUSLSA-N 1 3 278.415 3.267 20 0 CGADHO c1ccc(CC2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC001246077168 804115361 /nfs/dbraw/zinc/11/53/61/804115361.db2.gz HODKMRWWVQJZNX-UHFFFAOYSA-N 1 3 272.436 3.130 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccccc2OC)CC[NH2+]1 ZINC001246092345 804124306 /nfs/dbraw/zinc/12/43/06/804124306.db2.gz AKEALMIDZQYTEW-IRXDYDNUSA-N 1 3 290.451 3.138 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)NC[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001246101880 804134847 /nfs/dbraw/zinc/13/48/47/804134847.db2.gz BUZUJZJFPVBHGZ-VGWMRTNUSA-N 1 3 254.462 3.425 20 0 CGADHO CC(C)C1CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246101713 804135924 /nfs/dbraw/zinc/13/59/24/804135924.db2.gz ASIQAESRRNIMRU-PRLABOORSA-N 1 3 252.446 3.179 20 0 CGADHO CCn1ccc2c1cccc2C[NH+]1CCC(N(C)C)CC1 ZINC001139151963 804139985 /nfs/dbraw/zinc/13/99/85/804139985.db2.gz NNPOCATUQANVPL-UHFFFAOYSA-N 1 3 285.435 3.187 20 0 CGADHO CCCCCC[C@@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246115668 804148134 /nfs/dbraw/zinc/14/81/34/804148134.db2.gz RYKJVGKWYSEIQN-HUUCEWRRSA-N 1 3 258.425 3.417 20 0 CGADHO Cc1ccc(CCCN[C@H]2CC[NH2+][C@@H](C(C)C)C2)s1 ZINC001246127623 804154190 /nfs/dbraw/zinc/15/41/90/804154190.db2.gz LNTUTFZMHQMWBI-GOEBONIOSA-N 1 3 280.481 3.355 20 0 CGADHO CC(C)(C)C1CCC([NH2+]C2(C)CCNCC2)CC1 ZINC001246131472 804157988 /nfs/dbraw/zinc/15/79/88/804157988.db2.gz YLGCVJGSPJBCNW-UHFFFAOYSA-N 1 3 252.446 3.323 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246138750 804162151 /nfs/dbraw/zinc/16/21/51/804162151.db2.gz OHYUWEDZRAGYOL-JKSUJKDBSA-N 1 3 282.472 3.094 20 0 CGADHO CCCCCC[C@H](CCC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246138750 804162156 /nfs/dbraw/zinc/16/21/56/804162156.db2.gz OHYUWEDZRAGYOL-JKSUJKDBSA-N 1 3 282.472 3.094 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246151562 804171109 /nfs/dbraw/zinc/17/11/09/804171109.db2.gz NUEJFUZGYVHBJY-TVFCKZIOSA-N 1 3 296.499 3.340 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246172982 804188146 /nfs/dbraw/zinc/18/81/46/804188146.db2.gz FNONPXVBCNDBRI-HZPDHXFCSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H]1C[C@@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246178554 804191838 /nfs/dbraw/zinc/19/18/38/804191838.db2.gz JSWKLDMHHWDRPP-ZBFHGGJFSA-N 1 3 258.409 3.186 20 0 CGADHO C1C[C@@H]2C[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)C[C@H](C1)N2 ZINC001246179309 804194270 /nfs/dbraw/zinc/19/42/70/804194270.db2.gz MCHAUTGZGVPCDY-VQSBQWOOSA-N 1 3 274.452 3.074 20 0 CGADHO C[C@]12CC3CC([NH2+]C4CCNCC4)(C1)C[C@@](C)(C3)C2 ZINC001246181024 804195654 /nfs/dbraw/zinc/19/56/54/804195654.db2.gz UGTPOOBMIBZWHN-JOHJCKIYSA-N 1 3 262.441 3.077 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246206434 804206341 /nfs/dbraw/zinc/20/63/41/804206341.db2.gz OUEFLQFIWTUVGB-YESZJQIVSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246210324 804208365 /nfs/dbraw/zinc/20/83/65/804208365.db2.gz MPYGSNDTQTYEJD-GWFLUQINSA-N 1 3 286.463 3.376 20 0 CGADHO CCCC[C@H](CC)COCCC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246217106 804212331 /nfs/dbraw/zinc/21/23/31/804212331.db2.gz PUQVJFQJQXCGCE-ULQDDVLXSA-N 1 3 284.488 3.340 20 0 CGADHO CCCC[C@H](CC)COCCC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246217108 804212407 /nfs/dbraw/zinc/21/24/07/804212407.db2.gz PUQVJFQJQXCGCE-YESZJQIVSA-N 1 3 284.488 3.340 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3c2)CCN1 ZINC001246230881 804222962 /nfs/dbraw/zinc/22/29/62/804222962.db2.gz AHLQCHYRGJECCW-KDOFPFPSSA-N 1 3 268.404 3.112 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246230881 804222972 /nfs/dbraw/zinc/22/29/72/804222972.db2.gz AHLQCHYRGJECCW-KDOFPFPSSA-N 1 3 268.404 3.112 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236302 804229023 /nfs/dbraw/zinc/22/90/23/804229023.db2.gz VKRYSQIAGWCXJM-LAVFITLUSA-N 1 3 272.436 3.443 20 0 CGADHO CCC[NH2+]CCNC1CCC2(CCCCC2)CC1 ZINC001246273382 804249632 /nfs/dbraw/zinc/24/96/32/804249632.db2.gz ZZCLCNMCABQNEQ-UHFFFAOYSA-N 1 3 252.446 3.469 20 0 CGADHO Cc1ccc(SC[C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC001246272992 804250474 /nfs/dbraw/zinc/25/04/74/804250474.db2.gz OKVOFWYPEYTAPE-ZDUSSCGKSA-N 1 3 266.454 3.193 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCc3c(F)cc(F)cc3C2)CCCCC1 ZINC001246278188 804253348 /nfs/dbraw/zinc/25/33/48/804253348.db2.gz FAWQMZWRLHGAHT-CQSZACIVSA-N 1 3 294.389 3.073 20 0 CGADHO CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC001246290944 804262805 /nfs/dbraw/zinc/26/28/05/804262805.db2.gz PJRVVXBABDGNAS-CVEARBPZSA-N 1 3 264.388 3.399 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246304746 804269779 /nfs/dbraw/zinc/26/97/79/804269779.db2.gz BFIVAKRCJJFXHQ-UGFHNGPFSA-N 1 3 299.245 3.320 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NCC[C@H](C)[NH3+] ZINC001246306208 804270246 /nfs/dbraw/zinc/27/02/46/804270246.db2.gz QNEPKRPISJGSHW-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC001246330267 804286058 /nfs/dbraw/zinc/28/60/58/804286058.db2.gz CDINUCJUKVAHKM-ZFWWWQNUSA-N 1 3 266.454 3.049 20 0 CGADHO C[C@H](Cc1ccccc1Br)[NH2+]C(C)(C)CCN ZINC001246364005 804306578 /nfs/dbraw/zinc/30/65/78/804306578.db2.gz RPDNZENEXOJRKR-LLVKDONJSA-N 1 3 299.256 3.097 20 0 CGADHO CC(C)CC1([NH2+][C@@H]2CN[C@H](C)C2)CCC(F)(F)CC1 ZINC001246371835 804309233 /nfs/dbraw/zinc/30/92/33/804309233.db2.gz WTVHACBCAFSJEP-OLZOCXBDSA-N 1 3 274.399 3.321 20 0 CGADHO CC[C@@H](N[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C)cc1C ZINC001246375757 804309655 /nfs/dbraw/zinc/30/96/55/804309655.db2.gz KOKIZFYIJWKPIS-YQQAZPJKSA-N 1 3 260.425 3.485 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883174 804311610 /nfs/dbraw/zinc/31/16/10/804311610.db2.gz FWLZHFSSLAUKLJ-SJLPKXTDSA-N 1 3 270.420 3.090 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883174 804311619 /nfs/dbraw/zinc/31/16/19/804311619.db2.gz FWLZHFSSLAUKLJ-SJLPKXTDSA-N 1 3 270.420 3.090 20 0 CGADHO CCc1cc2c(cc1CC)CC([NH2+][C@H]1CCN[C@@H](C)C1)C2 ZINC001246378999 804313790 /nfs/dbraw/zinc/31/37/90/804313790.db2.gz ISUSTGUURLEOBQ-UGSOOPFHSA-N 1 3 286.463 3.009 20 0 CGADHO CCCC1([NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CCC1 ZINC001246382521 804314758 /nfs/dbraw/zinc/31/47/58/804314758.db2.gz DWILOTASUKUJNR-KBPBESRZSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1cccc2c1CC[C@@H]([NH2+]C1(CC3CC3)CCNCC1)C2 ZINC001246389527 804318407 /nfs/dbraw/zinc/31/84/07/804318407.db2.gz PAMRBGRLCOGRHG-GOSISDBHSA-N 1 3 298.474 3.364 20 0 CGADHO Cc1ccccc1CC1(C[NH2+][C@H]2CCNC(C)(C)C2)CC1 ZINC001246393675 804319789 /nfs/dbraw/zinc/31/97/89/804319789.db2.gz KBMVZMPKJMRNHO-KRWDZBQOSA-N 1 3 286.463 3.438 20 0 CGADHO COCCC1([NH2+][C@H](C)C[C@H](C)CC(C)C)CCNCC1 ZINC001246396068 804319801 /nfs/dbraw/zinc/31/98/01/804319801.db2.gz XZJFHNCBSRVCEC-HZPDHXFCSA-N 1 3 284.488 3.196 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246396984 804322209 /nfs/dbraw/zinc/32/22/09/804322209.db2.gz RFALQKVECCOMOO-MSOLQXFVSA-N 1 3 286.463 3.438 20 0 CGADHO Clc1ccc(CCCC[NH2+]C2CCNCC2)cc1 ZINC001246414945 804326140 /nfs/dbraw/zinc/32/61/40/804326140.db2.gz VQYMKQXZGIJTMC-UHFFFAOYSA-N 1 3 266.816 3.004 20 0 CGADHO CCC1([NH2+][C@H]2CCc3cccc(Cl)c3C2)CCNCC1 ZINC001246425626 804329972 /nfs/dbraw/zinc/32/99/72/804329972.db2.gz YOEHERCDSUNDIZ-AWEZNQCLSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246435414 804332901 /nfs/dbraw/zinc/33/29/01/804332901.db2.gz NKGUPKHKAAAPNY-XJKSGUPXSA-N 1 3 278.415 3.125 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](C)Cc2cccc(Cl)c2)CCN1 ZINC001246457324 804337832 /nfs/dbraw/zinc/33/78/32/804337832.db2.gz SHVPSRHAWMCDLC-BBRMVZONSA-N 1 3 280.843 3.393 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)CCN1 ZINC001246455248 804338660 /nfs/dbraw/zinc/33/86/60/804338660.db2.gz IAISXLKLLSUMHU-YJBOKZPZSA-N 1 3 290.451 3.138 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246460075 804342342 /nfs/dbraw/zinc/34/23/42/804342342.db2.gz MQEIFAAIKIRFDU-AWEZNQCLSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H](CC1CC1)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246460076 804342606 /nfs/dbraw/zinc/34/26/06/804342606.db2.gz MQEIFAAIKIRFDU-CQSZACIVSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C[C@@H](C)N1 ZINC001246463781 804344366 /nfs/dbraw/zinc/34/43/66/804344366.db2.gz TUAGANANQNLWSK-KJWYOANISA-N 1 3 272.436 3.441 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C[C@H](C)N1 ZINC001246463784 804344939 /nfs/dbraw/zinc/34/49/39/804344939.db2.gz TUAGANANQNLWSK-QJESEZNXSA-N 1 3 272.436 3.441 20 0 CGADHO C[C@@H]1CC([NH2+]C[C@@H]2CCCc3ccccc32)C[C@@H](C)N1 ZINC001246466134 804345826 /nfs/dbraw/zinc/34/58/26/804345826.db2.gz MOFBGSCNOBXOSI-FMKPAKJESA-N 1 3 272.436 3.225 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C)c1C ZINC001246469623 804347309 /nfs/dbraw/zinc/34/73/09/804347309.db2.gz DTIPWLZXBDWGBS-NVXWUHKLSA-N 1 3 260.425 3.486 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCNCC34CC4)C2)cc1 ZINC001246472256 804349066 /nfs/dbraw/zinc/34/90/66/804349066.db2.gz HSGLRDGZSYLIKI-FGTMMUONSA-N 1 3 284.447 3.445 20 0 CGADHO C1=C[C@H](NC2CCC(c3ccccc3)CC2)[C@H]2C[NH2+]C[C@H]12 ZINC001246477009 804351865 /nfs/dbraw/zinc/35/18/65/804351865.db2.gz YEMFQXNUPIYHQK-ZBABMDLNSA-N 1 3 282.431 3.076 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001246475213 804352630 /nfs/dbraw/zinc/35/26/30/804352630.db2.gz SNRPHMISFVXEDH-NCXUSEDFSA-N 1 3 284.447 3.152 20 0 CGADHO CCC[C@H](CCc1ccccc1)NC12CC([NH3+])(C1)C2 ZINC001246504295 804364681 /nfs/dbraw/zinc/36/46/81/804364681.db2.gz PIDVVZHPIHUJMU-KLAILNCOSA-N 1 3 258.409 3.011 20 0 CGADHO CNc1cccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246505009 804365664 /nfs/dbraw/zinc/36/56/64/804365664.db2.gz KBWGURONKFCURK-OALUTQOASA-N 1 3 295.430 3.311 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H](C3CCC3)C3CNC3)C2)cc1 ZINC001246513356 804366783 /nfs/dbraw/zinc/36/67/83/804366783.db2.gz DFFSXMWGSZYRPV-QRQLOZEOSA-N 1 3 284.447 3.300 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246512136 804368270 /nfs/dbraw/zinc/36/82/70/804368270.db2.gz ASUXABTZZOJOIH-VBQJREDUSA-N 1 3 266.473 3.425 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246514294 804369452 /nfs/dbraw/zinc/36/94/52/804369452.db2.gz GDVSOYLZSGCKTI-SQWLQELKSA-N 1 3 254.462 3.281 20 0 CGADHO CCCCC[C@H](CC)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246519303 804370775 /nfs/dbraw/zinc/37/07/75/804370775.db2.gz RNHGUBSIHJQMRR-HOTGVXAUSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H]1C[C@H](N(Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520655 804374349 /nfs/dbraw/zinc/37/43/49/804374349.db2.gz USSUAZGNVCHSKX-DLBZAZTESA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@H]1C[C@H]([N@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520655 804374354 /nfs/dbraw/zinc/37/43/54/804374354.db2.gz USSUAZGNVCHSKX-DLBZAZTESA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520655 804374361 /nfs/dbraw/zinc/37/43/61/804374361.db2.gz USSUAZGNVCHSKX-DLBZAZTESA-N 1 3 260.425 3.428 20 0 CGADHO C1CC1[C@H]([NH2+]C1CCC2(CCCC2)CC1)C1CNC1 ZINC001246521011 804375357 /nfs/dbraw/zinc/37/53/57/804375357.db2.gz YCYSDVSCXHWHJY-INIZCTEOSA-N 1 3 262.441 3.077 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246521155 804376539 /nfs/dbraw/zinc/37/65/39/804376539.db2.gz ZIPHEQKCMBVBMV-RTBURBONSA-N 1 3 288.479 3.477 20 0 CGADHO CC[N@H+](C1CCCCC1)[C@H]1CCN[C@@H](C(C)C)C1 ZINC001246533583 804384326 /nfs/dbraw/zinc/38/43/26/804384326.db2.gz VSOJGCWYBRFNDD-JKSUJKDBSA-N 1 3 252.446 3.418 20 0 CGADHO CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@@H](C(C)C)C1 ZINC001246533583 804384334 /nfs/dbraw/zinc/38/43/34/804384334.db2.gz VSOJGCWYBRFNDD-JKSUJKDBSA-N 1 3 252.446 3.418 20 0 CGADHO [NH3+][C@H]1CCCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538594 804387139 /nfs/dbraw/zinc/38/71/39/804387139.db2.gz DBBDBCHSTUIFIB-KBPBESRZSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@H]1C[N@@H+](C2CCC(Cc3ccccc3)CC2)C[C@H]1CN ZINC001246538147 804389522 /nfs/dbraw/zinc/38/95/22/804389522.db2.gz ANDYYNQTLGXTNG-WEOZKBJRSA-N 1 3 286.463 3.315 20 0 CGADHO C[C@H]1C[N@H+](C2CCC(Cc3ccccc3)CC2)C[C@H]1CN ZINC001246538147 804389530 /nfs/dbraw/zinc/38/95/30/804389530.db2.gz ANDYYNQTLGXTNG-WEOZKBJRSA-N 1 3 286.463 3.315 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@@](C)(N)C2)cc1 ZINC001246545052 804393946 /nfs/dbraw/zinc/39/39/46/804393946.db2.gz WSMLEPXNZYFXEJ-NVXWUHKLSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@](C)(N)C2)cc1 ZINC001246545052 804393953 /nfs/dbraw/zinc/39/39/53/804393953.db2.gz WSMLEPXNZYFXEJ-NVXWUHKLSA-N 1 3 260.425 3.129 20 0 CGADHO C[C@]1([NH3+])CCCN([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552050 804402226 /nfs/dbraw/zinc/40/22/26/804402226.db2.gz NPOXJQOZBOLMBZ-CJNGLKHVSA-N 1 3 278.827 3.011 20 0 CGADHO CC[C@@H]1C[C@@H](N2CCC(C)(F)CC2)C[C@H](CC)[NH2+]1 ZINC001246553736 804403734 /nfs/dbraw/zinc/40/37/34/804403734.db2.gz UJTLJWSCVPJPLL-BTTYYORXSA-N 1 3 256.409 3.120 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@@H](C)C2)CCN1 ZINC001246571159 804417226 /nfs/dbraw/zinc/41/72/26/804417226.db2.gz HRVVIWHMBZDVJX-JONQDZQNSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H](C)C2)CCN1 ZINC001246571159 804417230 /nfs/dbraw/zinc/41/72/30/804417230.db2.gz HRVVIWHMBZDVJX-JONQDZQNSA-N 1 3 252.446 3.131 20 0 CGADHO NC[C@H]1CCCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582463 804426695 /nfs/dbraw/zinc/42/66/95/804426695.db2.gz MSXCZLUBGCLWKD-CXAGYDPISA-N 1 3 292.854 3.258 20 0 CGADHO NC[C@H]1CCCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582463 804426698 /nfs/dbraw/zinc/42/66/98/804426698.db2.gz MSXCZLUBGCLWKD-CXAGYDPISA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246602087 804440172 /nfs/dbraw/zinc/44/01/72/804440172.db2.gz IYOAKHDLFZFADL-IJEWVQPXSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246602087 804440174 /nfs/dbraw/zinc/44/01/74/804440174.db2.gz IYOAKHDLFZFADL-IJEWVQPXSA-N 1 3 250.430 3.029 20 0 CGADHO CCCCC(CCCC)N1CC2(C1)CCC[NH2+]C2 ZINC001246601962 804440432 /nfs/dbraw/zinc/44/04/32/804440432.db2.gz ADMZJOWYGNWKGZ-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246604403 804441995 /nfs/dbraw/zinc/44/19/95/804441995.db2.gz LROUFACGMQHNDA-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246604403 804442002 /nfs/dbraw/zinc/44/20/02/804442002.db2.gz LROUFACGMQHNDA-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246613359 804446465 /nfs/dbraw/zinc/44/64/65/804446465.db2.gz YFLPTOAVGXQNPY-RTBURBONSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246613359 804446469 /nfs/dbraw/zinc/44/64/69/804446469.db2.gz YFLPTOAVGXQNPY-RTBURBONSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc(C[C@@H](C)N2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611968 804446493 /nfs/dbraw/zinc/44/64/93/804446493.db2.gz VETQLMBNUBINPN-MJGOQNOKSA-N 1 3 286.463 3.392 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246623348 804455710 /nfs/dbraw/zinc/45/57/10/804455710.db2.gz PVMMUYGHQYDIKK-QZTJIDSGSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246623348 804455714 /nfs/dbraw/zinc/45/57/14/804455714.db2.gz PVMMUYGHQYDIKK-QZTJIDSGSA-N 1 3 272.436 3.226 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629222 804460512 /nfs/dbraw/zinc/46/05/12/804460512.db2.gz YGYYBACHQSQONF-LVQVYYBASA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629222 804460515 /nfs/dbraw/zinc/46/05/15/804460515.db2.gz YGYYBACHQSQONF-LVQVYYBASA-N 1 3 252.446 3.131 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246639371 804466992 /nfs/dbraw/zinc/46/69/92/804466992.db2.gz QQSSQMFKIZMNRF-ZWKOTPCHSA-N 1 3 296.499 3.293 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246639371 804466996 /nfs/dbraw/zinc/46/69/96/804466996.db2.gz QQSSQMFKIZMNRF-ZWKOTPCHSA-N 1 3 296.499 3.293 20 0 CGADHO C1C[C@]2(CC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638438 804467615 /nfs/dbraw/zinc/46/76/15/804467615.db2.gz SFLHXXXSUMJFRY-DOTOQJQBSA-N 1 3 262.441 3.317 20 0 CGADHO C1C[C@]2(CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638438 804467617 /nfs/dbraw/zinc/46/76/17/804467617.db2.gz SFLHXXXSUMJFRY-DOTOQJQBSA-N 1 3 262.441 3.317 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CCCC[C@]12CC[NH2+]C2 ZINC001246642995 804470931 /nfs/dbraw/zinc/47/09/31/804470931.db2.gz LDOLQKUHSMNAOS-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246646700 804474109 /nfs/dbraw/zinc/47/41/09/804474109.db2.gz HKUDXKUVBJJQKH-DOTOQJQBSA-N 1 3 282.431 3.188 20 0 CGADHO C[C@H]1CC([N@@H+]2CCCC23CCNCC3)C[C@H](C)C1 ZINC001246649993 804477480 /nfs/dbraw/zinc/47/74/80/804477480.db2.gz ASYVPMTXZJOOQE-ZIAGYGMSSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1CC([N@H+]2CCCC23CCNCC3)C[C@H](C)C1 ZINC001246649993 804477483 /nfs/dbraw/zinc/47/74/83/804477483.db2.gz ASYVPMTXZJOOQE-ZIAGYGMSSA-N 1 3 250.430 3.029 20 0 CGADHO CN(Cc1csc2ccccc12)C1CC[NH+](C)CC1 ZINC001140636981 804479244 /nfs/dbraw/zinc/47/92/44/804479244.db2.gz ZOJOHKBSCHITGH-UHFFFAOYSA-N 1 3 274.433 3.427 20 0 CGADHO c1ccc(C2CCC(N3CC[C@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246668600 804488596 /nfs/dbraw/zinc/48/85/96/804488596.db2.gz ZMDVBLJDOWHDEV-HIEASXQVSA-N 1 3 270.420 3.149 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246685675 804495704 /nfs/dbraw/zinc/49/57/04/804495704.db2.gz ARVDUXZRRCEMLR-QAETUUGQSA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246685675 804495709 /nfs/dbraw/zinc/49/57/09/804495709.db2.gz ARVDUXZRRCEMLR-QAETUUGQSA-N 1 3 284.463 3.471 20 0 CGADHO C[C@H]1CC([N@H+](C)CCCc2ccccc2)C[C@H](C)N1 ZINC001246775987 804506829 /nfs/dbraw/zinc/50/68/29/804506829.db2.gz MARUKAPKNDAXHY-GJZGRUSLSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@H]1CC([N@@H+](C)CCCc2ccccc2)C[C@H](C)N1 ZINC001246775987 804506834 /nfs/dbraw/zinc/50/68/34/804506834.db2.gz MARUKAPKNDAXHY-GJZGRUSLSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@H]1CC(N(C)CCCc2ccccc2)C[C@H](C)[NH2+]1 ZINC001246775987 804506836 /nfs/dbraw/zinc/50/68/36/804506836.db2.gz MARUKAPKNDAXHY-GJZGRUSLSA-N 1 3 260.425 3.080 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCC[C@H](C)[C@H]2C)C[C@@H](CC)N1 ZINC001246790341 804513893 /nfs/dbraw/zinc/51/38/93/804513893.db2.gz NOSVVZHEPQNIGX-GBJTYRQASA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCC[C@H](C)[C@H]2C)C[C@@H](CC)N1 ZINC001246790341 804513898 /nfs/dbraw/zinc/51/38/98/804513898.db2.gz NOSVVZHEPQNIGX-GBJTYRQASA-N 1 3 252.446 3.416 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790811 804514319 /nfs/dbraw/zinc/51/43/19/804514319.db2.gz MZCCSWTXCITKCK-QXSJWSMHSA-N 1 3 250.430 3.314 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790811 804514323 /nfs/dbraw/zinc/51/43/23/804514323.db2.gz MZCCSWTXCITKCK-QXSJWSMHSA-N 1 3 250.430 3.314 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246794464 804517911 /nfs/dbraw/zinc/51/79/11/804517911.db2.gz ZUQSFZGTCBKTSR-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246794464 804517914 /nfs/dbraw/zinc/51/79/14/804517914.db2.gz ZUQSFZGTCBKTSR-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246794464 804517917 /nfs/dbraw/zinc/51/79/17/804517917.db2.gz ZUQSFZGTCBKTSR-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H](CN)C1 ZINC001246796633 804519654 /nfs/dbraw/zinc/51/96/54/804519654.db2.gz MTEMHTZYDFOTTP-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](CN)C1 ZINC001246796633 804519659 /nfs/dbraw/zinc/51/96/59/804519659.db2.gz MTEMHTZYDFOTTP-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO COc1cccc([C@@H]2CCCCN2[C@H]2CCC[NH2+]CC2)c1 ZINC001246807644 804525222 /nfs/dbraw/zinc/52/52/22/804525222.db2.gz OOBXFENHNJFKGV-WMZOPIPTSA-N 1 3 288.435 3.364 20 0 CGADHO CNCC[C@@H](C)[N@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001246813851 804530590 /nfs/dbraw/zinc/53/05/90/804530590.db2.gz OSPKQEFBTUTBQE-OAHLLOKOSA-N 1 3 278.516 3.364 20 0 CGADHO CNCC[C@@H](C)[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001246813851 804530594 /nfs/dbraw/zinc/53/05/94/804530594.db2.gz OSPKQEFBTUTBQE-OAHLLOKOSA-N 1 3 278.516 3.364 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246820024 804534905 /nfs/dbraw/zinc/53/49/05/804534905.db2.gz DUMOKPCMQPCHKU-AEFFLSMTSA-N 1 3 288.435 3.364 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+](C)C[C@H]2CCCNC2)cc1 ZINC001246841605 804550107 /nfs/dbraw/zinc/55/01/07/804550107.db2.gz NNTOQVILEWNLNE-AEFFLSMTSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+](C)C[C@H]2CCCNC2)cc1 ZINC001246841605 804550113 /nfs/dbraw/zinc/55/01/13/804550113.db2.gz NNTOQVILEWNLNE-AEFFLSMTSA-N 1 3 274.452 3.248 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844268 804552319 /nfs/dbraw/zinc/55/23/19/804552319.db2.gz YDWLGCRQXGLJLQ-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844268 804552326 /nfs/dbraw/zinc/55/23/26/804552326.db2.gz YDWLGCRQXGLJLQ-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@H+](C)CC2CCCCC2)CCN1 ZINC001246847309 804555924 /nfs/dbraw/zinc/55/59/24/804555924.db2.gz SPCDBMWUYXFDPU-CVEARBPZSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@@H+](C)CC2CCCCC2)CCN1 ZINC001246847309 804555929 /nfs/dbraw/zinc/55/59/29/804555929.db2.gz SPCDBMWUYXFDPU-CVEARBPZSA-N 1 3 252.446 3.275 20 0 CGADHO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246847589 804557513 /nfs/dbraw/zinc/55/75/13/804557513.db2.gz UWXOZFNSAGNTEM-BFHYXJOUSA-N 1 3 252.446 3.131 20 0 CGADHO C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246847589 804557517 /nfs/dbraw/zinc/55/75/17/804557517.db2.gz UWXOZFNSAGNTEM-BFHYXJOUSA-N 1 3 252.446 3.131 20 0 CGADHO C1[C@@H]2CCNC[C@H]2C[N@@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848302 804557992 /nfs/dbraw/zinc/55/79/92/804557992.db2.gz UHNIDXUMLPQRTQ-ULQDDVLXSA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@@H]2CCNC[C@H]2C[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848302 804557997 /nfs/dbraw/zinc/55/79/97/804557997.db2.gz UHNIDXUMLPQRTQ-ULQDDVLXSA-N 1 3 276.468 3.421 20 0 CGADHO CC[C@H]1C[C@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895186 804585604 /nfs/dbraw/zinc/58/56/04/804585604.db2.gz WKTYUPAJLLKABI-DLBZAZTESA-N 1 3 274.452 3.470 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895186 804585610 /nfs/dbraw/zinc/58/56/10/804585610.db2.gz WKTYUPAJLLKABI-DLBZAZTESA-N 1 3 274.452 3.470 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901356 804588562 /nfs/dbraw/zinc/58/85/62/804588562.db2.gz MNDHCVIKQISGAR-IYOUNJFTSA-N 1 3 283.419 3.445 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901356 804588564 /nfs/dbraw/zinc/58/85/64/804588564.db2.gz MNDHCVIKQISGAR-IYOUNJFTSA-N 1 3 283.419 3.445 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH+]2CCCCCCCC2)CCN1 ZINC001246918440 804599384 /nfs/dbraw/zinc/59/93/84/804599384.db2.gz FJULUABYEZOCFH-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(C)(c2ccccc2)CC1 ZINC001246947530 804614293 /nfs/dbraw/zinc/61/42/93/804614293.db2.gz ZQVXZJFUWOHWPE-HNNXBMFYSA-N 1 3 260.425 3.038 20 0 CGADHO CCc1ccc(C[C@H](C)N(CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001246946844 804614789 /nfs/dbraw/zinc/61/47/89/804614789.db2.gz IAZUJCYSBATKLA-YJBOKZPZSA-N 1 3 274.452 3.111 20 0 CGADHO Fc1ccc(CN(C2CCCC2)C2CC[NH2+]CC2)cc1F ZINC001246954860 804618155 /nfs/dbraw/zinc/61/81/55/804618155.db2.gz IXWDJDFWOVEVBY-UHFFFAOYSA-N 1 3 294.389 3.461 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966325 804620333 /nfs/dbraw/zinc/62/03/33/804620333.db2.gz RLUMIMGTKOJIJY-PBHICJAKSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966325 804620336 /nfs/dbraw/zinc/62/03/36/804620336.db2.gz RLUMIMGTKOJIJY-PBHICJAKSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]1C[C@@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966325 804620343 /nfs/dbraw/zinc/62/03/43/804620343.db2.gz RLUMIMGTKOJIJY-PBHICJAKSA-N 1 3 258.409 3.182 20 0 CGADHO CC[C@@H](CC(C)C)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976746 804624309 /nfs/dbraw/zinc/62/43/09/804624309.db2.gz WCHARRCNPCNQFM-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H](CC(C)C)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976746 804624312 /nfs/dbraw/zinc/62/43/12/804624312.db2.gz WCHARRCNPCNQFM-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CN1C1CCC2(CCCCC2)CC1 ZINC001246995170 804633127 /nfs/dbraw/zinc/63/31/27/804633127.db2.gz BSCSUQHVQFZUNZ-KGLIPLIRSA-N 1 3 250.430 3.301 20 0 CGADHO CCCc1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001142367051 804718439 /nfs/dbraw/zinc/71/84/39/804718439.db2.gz DTTLWBHNZPEMCE-UHFFFAOYSA-N 1 3 272.436 3.167 20 0 CGADHO CC(C)N1CCC([N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001257219049 807065757 /nfs/dbraw/zinc/06/57/57/807065757.db2.gz CILUECSGNDTEPH-LBPRGKRZSA-N 1 3 278.362 3.134 20 0 CGADHO CC(C)N1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001257219049 807065764 /nfs/dbraw/zinc/06/57/64/807065764.db2.gz CILUECSGNDTEPH-LBPRGKRZSA-N 1 3 278.362 3.134 20 0 CGADHO CCC[C@H](CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001257249903 807070235 /nfs/dbraw/zinc/07/02/35/807070235.db2.gz DNEBCHMYZQOFLO-SFHVURJKSA-N 1 3 289.467 3.462 20 0 CGADHO CCCCCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257365654 807126832 /nfs/dbraw/zinc/12/68/32/807126832.db2.gz NRJTXYVDAAQLSN-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CCCCCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257365654 807126836 /nfs/dbraw/zinc/12/68/36/807126836.db2.gz NRJTXYVDAAQLSN-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO C1=CC[C@@H](CN2CCC([NH2+][C@@H]3CCCSC3)CC2)CC1 ZINC001257667340 807209046 /nfs/dbraw/zinc/20/90/46/807209046.db2.gz CJCPDHWIHXIXDG-NVXWUHKLSA-N 1 3 294.508 3.292 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H]2CCc3sccc32)CC1 ZINC001258008810 807264294 /nfs/dbraw/zinc/26/42/94/807264294.db2.gz GEJNQMNTHYSYTM-HNNXBMFYSA-N 1 3 278.465 3.445 20 0 CGADHO Cc1cccc2c1CC[N@@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258011665 807264409 /nfs/dbraw/zinc/26/44/09/807264409.db2.gz NJTFHROWCFUWQA-UHFFFAOYSA-N 1 3 286.463 3.474 20 0 CGADHO Cc1cccc2c1CC[N@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258011665 807264416 /nfs/dbraw/zinc/26/44/16/807264416.db2.gz NJTFHROWCFUWQA-UHFFFAOYSA-N 1 3 286.463 3.474 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001258012160 807266813 /nfs/dbraw/zinc/26/68/13/807266813.db2.gz UIOSMLSMMSKFAY-ZDUSSCGKSA-N 1 3 274.399 3.084 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001258012160 807266817 /nfs/dbraw/zinc/26/68/17/807266817.db2.gz UIOSMLSMMSKFAY-ZDUSSCGKSA-N 1 3 274.399 3.084 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4C[C@H]5C[C@H]5C4)[C@H]3C2)cc1 ZINC001167897590 807269919 /nfs/dbraw/zinc/26/99/19/807269919.db2.gz KMDNHIMWJMQBCP-GTYQWKCWSA-N 1 3 296.458 3.285 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+]C1CCCCC1)C2 ZINC001167959944 807286792 /nfs/dbraw/zinc/28/67/92/807286792.db2.gz VVCQUCSRFIETJP-ALOPSCKCSA-N 1 3 262.441 3.314 20 0 CGADHO CC1(C)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995330 807294574 /nfs/dbraw/zinc/29/45/74/807294574.db2.gz ATQMMLGUNAWTMS-XYPWUTKMSA-N 1 3 262.441 3.124 20 0 CGADHO CC1(C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995330 807294578 /nfs/dbraw/zinc/29/45/78/807294578.db2.gz ATQMMLGUNAWTMS-XYPWUTKMSA-N 1 3 262.441 3.124 20 0 CGADHO CC[N@H+]([C@H]1CCOC1)C1CCN(C2CCC(C)CC2)CC1 ZINC001168220531 807355049 /nfs/dbraw/zinc/35/50/49/807355049.db2.gz WMMCMDAOWBUUNZ-HTWSVDAQSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(C2CCC(C)CC2)CC1 ZINC001168220531 807355059 /nfs/dbraw/zinc/35/50/59/807355059.db2.gz WMMCMDAOWBUUNZ-HTWSVDAQSA-N 1 3 294.483 3.140 20 0 CGADHO C[N@H+](Cc1cccs1)C1CCN(CC2CC2)CC1 ZINC001168390963 807401405 /nfs/dbraw/zinc/40/14/05/807401405.db2.gz JMZYIVKOEMKSKQ-UHFFFAOYSA-N 1 3 264.438 3.054 20 0 CGADHO C[N@@H+](Cc1cccs1)C1CCN(CC2CC2)CC1 ZINC001168390963 807401409 /nfs/dbraw/zinc/40/14/09/807401409.db2.gz JMZYIVKOEMKSKQ-UHFFFAOYSA-N 1 3 264.438 3.054 20 0 CGADHO CCCCC[C@@H](CC)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001258433583 807447953 /nfs/dbraw/zinc/44/79/53/807447953.db2.gz ATCPXWZOBFYUPO-OAHLLOKOSA-N 1 3 298.471 3.092 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H](C)CC1CC1 ZINC001258453496 807459309 /nfs/dbraw/zinc/45/93/09/807459309.db2.gz AZZBMWHERDOTRM-GJZGRUSLSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H](C)CC1CC1 ZINC001258453496 807459310 /nfs/dbraw/zinc/45/93/10/807459310.db2.gz AZZBMWHERDOTRM-GJZGRUSLSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H](CC1CC1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001258471371 807469738 /nfs/dbraw/zinc/46/97/38/807469738.db2.gz ZOHOAVYUJNYFJL-AWEZNQCLSA-N 1 3 250.430 3.125 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2cccnc2)CC1 ZINC001258630460 807518602 /nfs/dbraw/zinc/51/86/02/807518602.db2.gz AMKUCHATPSVUON-INIZCTEOSA-N 1 3 289.467 3.209 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3occc3c1)C2 ZINC001169091489 807571136 /nfs/dbraw/zinc/57/11/36/807571136.db2.gz SGRPKBSXSPSDMA-PHZGNYQRSA-N 1 3 270.376 3.148 20 0 CGADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169095385 807574547 /nfs/dbraw/zinc/57/45/47/807574547.db2.gz QOILWXKVRHBTTI-BJWYYQGGSA-N 1 3 258.409 3.018 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258750909 807592144 /nfs/dbraw/zinc/59/21/44/807592144.db2.gz DGAVJDWJOYHKBV-CQSZACIVSA-N 1 3 292.854 3.299 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258761038 807599196 /nfs/dbraw/zinc/59/91/96/807599196.db2.gz GSBPQAXGNSVKOQ-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258761038 807599199 /nfs/dbraw/zinc/59/91/99/807599199.db2.gz GSBPQAXGNSVKOQ-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO CCCN1CCC([NH+]2CCC3(CC(F)C3)CC2)CC1 ZINC001258772594 807604898 /nfs/dbraw/zinc/60/48/98/807604898.db2.gz UNMTVCPXHTZXQE-UHFFFAOYSA-N 1 3 268.420 3.075 20 0 CGADHO CCC[NH+]1CCC(N2CCCc3ccccc3C2)CC1 ZINC001258775649 807606156 /nfs/dbraw/zinc/60/61/56/807606156.db2.gz XRQCDDBCEXCKIP-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001258826303 807641626 /nfs/dbraw/zinc/64/16/26/807641626.db2.gz CLAXOSGXWTYCQT-CZUORRHYSA-N 1 3 250.430 3.124 20 0 CGADHO COCCC1(N)CC[NH+](C(CC(C)C)CC(C)C)CC1 ZINC001258832585 807648474 /nfs/dbraw/zinc/64/84/74/807648474.db2.gz DAKBQOPSURNUOP-UHFFFAOYSA-N 1 3 284.488 3.277 20 0 CGADHO CC(C)CC(CC(C)C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258835997 807649090 /nfs/dbraw/zinc/64/90/90/807649090.db2.gz JEMBVMKUOKTZOS-UHFFFAOYSA-N 1 3 266.473 3.475 20 0 CGADHO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001258883685 807663476 /nfs/dbraw/zinc/66/34/76/807663476.db2.gz NLWCTKPJDPOWGO-BHYGNILZSA-N 1 3 290.451 3.089 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001170112715 807761837 /nfs/dbraw/zinc/76/18/37/807761837.db2.gz KXDIOVWCBKIYPA-HIFRSBDPSA-N 1 3 252.446 3.418 20 0 CGADHO Clc1cccc2c1C[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC001170889455 807925957 /nfs/dbraw/zinc/92/59/57/807925957.db2.gz NMAMXEBZGXCTFP-OAHLLOKOSA-N 1 3 292.854 3.273 20 0 CGADHO C[C@@H](CN)C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073013 807978801 /nfs/dbraw/zinc/97/88/01/807978801.db2.gz OKOZDSCAUISHIC-CABZTGNLSA-N 1 3 287.234 3.035 20 0 CGADHO CN(CCC[NH+](C)C)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171115461 807987278 /nfs/dbraw/zinc/98/72/78/807987278.db2.gz DDLDQHGVEFOMGN-INIZCTEOSA-N 1 3 280.843 3.081 20 0 CGADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1(C)C ZINC001171627515 808107749 /nfs/dbraw/zinc/10/77/49/808107749.db2.gz UATVQKMTMOLJIR-CQSZACIVSA-N 1 3 296.499 3.433 20 0 CGADHO C[C@H]1C[C@@H](CF)N(C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171632006 808109243 /nfs/dbraw/zinc/10/92/43/808109243.db2.gz SMNWLWZHLBKXBY-STQMWFEESA-N 1 3 270.436 3.318 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001171659894 808113743 /nfs/dbraw/zinc/11/37/43/808113743.db2.gz GAEHUSZVZIHRCA-SJLPKXTDSA-N 1 3 274.452 3.390 20 0 CGADHO CC[NH+](CC)CCCN1CCc2ccccc2[C@H](C)C1 ZINC001171739999 808128965 /nfs/dbraw/zinc/12/89/65/808128965.db2.gz AIEUWIAWUZHRHQ-MRXNPFEDSA-N 1 3 274.452 3.380 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC001171739999 808128967 /nfs/dbraw/zinc/12/89/67/808128967.db2.gz AIEUWIAWUZHRHQ-MRXNPFEDSA-N 1 3 274.452 3.380 20 0 CGADHO CCN(CC)CCC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC001171739999 808128972 /nfs/dbraw/zinc/12/89/72/808128972.db2.gz AIEUWIAWUZHRHQ-MRXNPFEDSA-N 1 3 274.452 3.380 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc3ncccc3c1)C2 ZINC001172101991 808171754 /nfs/dbraw/zinc/17/17/54/808171754.db2.gz ITVLPCQISSKJAE-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc3ncccc3c1)C2 ZINC001172101991 808171756 /nfs/dbraw/zinc/17/17/56/808171756.db2.gz ITVLPCQISSKJAE-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172099770 808172712 /nfs/dbraw/zinc/17/27/12/808172712.db2.gz KAWVLEHLJMPVLX-SJWGOKEGSA-N 1 3 276.399 3.492 20 0 CGADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172099770 808172716 /nfs/dbraw/zinc/17/27/16/808172716.db2.gz KAWVLEHLJMPVLX-SJWGOKEGSA-N 1 3 276.399 3.492 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106523 808176508 /nfs/dbraw/zinc/17/65/08/808176508.db2.gz PWYBHZFWSZDURN-YYIAUSFCSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106523 808176512 /nfs/dbraw/zinc/17/65/12/808176512.db2.gz PWYBHZFWSZDURN-YYIAUSFCSA-N 1 3 273.424 3.138 20 0 CGADHO Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cnc1Cl ZINC001172106486 808177173 /nfs/dbraw/zinc/17/71/73/808177173.db2.gz PFLSRSQEEKXYAL-QDMKHBRRSA-N 1 3 293.842 3.148 20 0 CGADHO C[C@H](CN)C[N@H+](C)C1CCC2(CCCCC2)CC1 ZINC001173118198 808515064 /nfs/dbraw/zinc/51/50/64/808515064.db2.gz IQNOQYAUZWZMFL-CQSZACIVSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H](CN)C[N@@H+](C)C1CCC2(CCCCC2)CC1 ZINC001173118198 808515069 /nfs/dbraw/zinc/51/50/69/808515069.db2.gz IQNOQYAUZWZMFL-CQSZACIVSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173281625 808582539 /nfs/dbraw/zinc/58/25/39/808582539.db2.gz AKFNGFNYMQFLEF-HZPDHXFCSA-N 1 3 273.424 3.091 20 0 CGADHO CCSC[C@H](C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173290594 808590975 /nfs/dbraw/zinc/59/09/75/808590975.db2.gz DYQBAHYFQKJKES-ZNMIVQPWSA-N 1 3 272.502 3.086 20 0 CGADHO CCSC[C@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173290594 808590977 /nfs/dbraw/zinc/59/09/77/808590977.db2.gz DYQBAHYFQKJKES-ZNMIVQPWSA-N 1 3 272.502 3.086 20 0 CGADHO CC[N@@H+]1CC[C@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001173373478 808633910 /nfs/dbraw/zinc/63/39/10/808633910.db2.gz XOVSUUZLWMJAGV-HOCLYGCPSA-N 1 3 298.434 3.118 20 0 CGADHO CC[N@H+]1CC[C@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001173373478 808633917 /nfs/dbraw/zinc/63/39/17/808633917.db2.gz XOVSUUZLWMJAGV-HOCLYGCPSA-N 1 3 298.434 3.118 20 0 CGADHO CN1Cc2ccccc2C2(CC[NH+](C3CCCC3)CC2)C1 ZINC001275044410 808899997 /nfs/dbraw/zinc/89/99/97/808899997.db2.gz ARCXWLLTNVDGFA-UHFFFAOYSA-N 1 3 284.447 3.408 20 0 CGADHO CCCCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275117332 808911091 /nfs/dbraw/zinc/91/10/91/808911091.db2.gz AJHFYUMNONTYPV-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CN1CCC[C@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC001275866783 808973038 /nfs/dbraw/zinc/97/30/38/808973038.db2.gz UAXJRTSGUHBFNW-HNNXBMFYSA-N 1 3 264.438 3.056 20 0 CGADHO CN1CCC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC001275866783 808973040 /nfs/dbraw/zinc/97/30/40/808973040.db2.gz UAXJRTSGUHBFNW-HNNXBMFYSA-N 1 3 264.438 3.056 20 0 CGADHO CCc1cccc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001176281859 809658800 /nfs/dbraw/zinc/65/88/00/809658800.db2.gz QMFCXYOKHXPISI-INIZCTEOSA-N 1 3 295.430 3.355 20 0 CGADHO CNc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924500 809958485 /nfs/dbraw/zinc/95/84/85/809958485.db2.gz INNOPPQWWVDCRT-VQIMIIECSA-N 1 3 299.462 3.177 20 0 CGADHO CNc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179924500 809958487 /nfs/dbraw/zinc/95/84/87/809958487.db2.gz INNOPPQWWVDCRT-VQIMIIECSA-N 1 3 299.462 3.177 20 0 CGADHO CCCCN1CCC([N@H+](C)Cc2cccc(OC)c2)CC1 ZINC001203823452 812470393 /nfs/dbraw/zinc/47/03/93/812470393.db2.gz GGXFUVHEYCFQMQ-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CCCCN1CCC([N@@H+](C)Cc2cccc(OC)c2)CC1 ZINC001203823452 812470395 /nfs/dbraw/zinc/47/03/95/812470395.db2.gz GGXFUVHEYCFQMQ-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001205000234 812817215 /nfs/dbraw/zinc/81/72/15/812817215.db2.gz AYFNDXXNIIXVBI-QRTARXTBSA-N 1 3 292.854 3.375 20 0 CGADHO C[C@@H]1[C@H](N)CC[N@@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001205170721 812897578 /nfs/dbraw/zinc/89/75/78/812897578.db2.gz BVFMTHVUTSJUMX-QMTHXVAHSA-N 1 3 287.234 3.348 20 0 CGADHO C[C@@H]1[C@H](N)CC[N@H+]1CCCc1ccc(Cl)c(Cl)c1 ZINC001205170721 812897587 /nfs/dbraw/zinc/89/75/87/812897587.db2.gz BVFMTHVUTSJUMX-QMTHXVAHSA-N 1 3 287.234 3.348 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@@](C)([NH3+])CC3)ccc2n1 ZINC001205273120 812924359 /nfs/dbraw/zinc/92/43/59/812924359.db2.gz FLSJRPUDFGLPTD-GOSISDBHSA-N 1 3 283.419 3.247 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001205391165 812976477 /nfs/dbraw/zinc/97/64/77/812976477.db2.gz JYPQERMZHISMRX-JKSUJKDBSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H]1CCN(Cc2cc(-c3ccccc3)on2)CC[C@H]1C[NH3+] ZINC001205601962 813018041 /nfs/dbraw/zinc/01/80/41/813018041.db2.gz HEROAGWYNRFSMC-HOCLYGCPSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@H]1CCN(Cc2coc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC001205639154 813037358 /nfs/dbraw/zinc/03/73/58/813037358.db2.gz WNMRNQPRIOHENN-HOCLYGCPSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863208 813112923 /nfs/dbraw/zinc/11/29/23/813112923.db2.gz JIBJLVKADOHOOB-XTBFLFJDSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863208 813112927 /nfs/dbraw/zinc/11/29/27/813112927.db2.gz JIBJLVKADOHOOB-XTBFLFJDSA-N 1 3 278.827 3.113 20 0 CGADHO CC(C)COc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205901762 813125244 /nfs/dbraw/zinc/12/52/44/813125244.db2.gz GAZRHDWGWMUIPS-WBVHZDCISA-N 1 3 290.451 3.281 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc(F)c2ccoc21 ZINC001205914083 813131284 /nfs/dbraw/zinc/13/12/84/813131284.db2.gz KXESHPSYLZDMNG-RYUDHWBXSA-N 1 3 276.355 3.131 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@H]2C)ccc1OC(C)C ZINC001205915810 813131397 /nfs/dbraw/zinc/13/13/97/813131397.db2.gz QPYDGPKZWOJQTG-WBVHZDCISA-N 1 3 290.451 3.341 20 0 CGADHO C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CCC[C@H]1C[NH3+] ZINC001205995898 813156576 /nfs/dbraw/zinc/15/65/76/813156576.db2.gz RPWXWMHTQVJPOI-YPMHNXCESA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206004799 813162481 /nfs/dbraw/zinc/16/24/81/813162481.db2.gz VPFCYLDVLZMGEN-AAEUAGOBSA-N 1 3 284.806 3.286 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183083 813230764 /nfs/dbraw/zinc/23/07/64/813230764.db2.gz FLOWDJGUAOYGPO-DLBZAZTESA-N 1 3 278.415 3.146 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206183198 813230914 /nfs/dbraw/zinc/23/09/14/813230914.db2.gz GCAUHYVJATWDQD-JKSUJKDBSA-N 1 3 264.388 3.071 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cccc(Cl)c2F)CC1 ZINC001206304494 813281355 /nfs/dbraw/zinc/28/13/55/813281355.db2.gz LKQRBFVFEKTBIM-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC001206318109 813287762 /nfs/dbraw/zinc/28/77/62/813287762.db2.gz MNXWNSPSRZMRME-GOSISDBHSA-N 1 3 299.418 3.293 20 0 CGADHO Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)cc(C)c1F ZINC001206632836 813381064 /nfs/dbraw/zinc/38/10/64/813381064.db2.gz OUVPUQBYJKZKLM-AWEZNQCLSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001206760305 813425585 /nfs/dbraw/zinc/42/55/85/813425585.db2.gz COLJUKLMVDBJCQ-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])CN1CCCc1ccccc1Cl ZINC001206760473 813425383 /nfs/dbraw/zinc/42/53/83/813425383.db2.gz HHRDHBUZVUCFAD-KBPBESRZSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760305 813425590 /nfs/dbraw/zinc/42/55/90/813425590.db2.gz COLJUKLMVDBJCQ-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1CCCc1cccc(Cl)c1 ZINC001206760305 813425596 /nfs/dbraw/zinc/42/55/96/813425596.db2.gz COLJUKLMVDBJCQ-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO CCC[NH+]1C[C@@H]2CN(C[C@@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914674 813671936 /nfs/dbraw/zinc/67/19/36/813671936.db2.gz XEAIKQXXDVLDHK-KBAYOESNSA-N 1 3 272.436 3.064 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C[C@@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914674 813671940 /nfs/dbraw/zinc/67/19/40/813671940.db2.gz XEAIKQXXDVLDHK-KBAYOESNSA-N 1 3 272.436 3.064 20 0 CGADHO C[NH+]1CCC(C)(CN2CCc3cc(Cl)ccc3C2)CC1 ZINC001208110975 813694806 /nfs/dbraw/zinc/69/48/06/813694806.db2.gz ANCPFQZRNSQSHX-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CCN(C)C1CC[NH+](C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208169421 813723434 /nfs/dbraw/zinc/72/34/34/813723434.db2.gz PGTHYVJIXKNYOD-HOTGVXAUSA-N 1 3 264.457 3.395 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606946 813773153 /nfs/dbraw/zinc/77/31/53/813773153.db2.gz JNLAGBAQLQUTEA-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606946 813773157 /nfs/dbraw/zinc/77/31/57/813773157.db2.gz JNLAGBAQLQUTEA-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209421214 814022191 /nfs/dbraw/zinc/02/21/91/814022191.db2.gz JGTDNDLIHNZNSP-SJLPKXTDSA-N 1 3 284.447 3.240 20 0 CGADHO C[C@@H]1C[C@H]1C[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429202 814030748 /nfs/dbraw/zinc/03/07/48/814030748.db2.gz VRXPEAFUEATVII-CABCVRRESA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1C[C@H]1C[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429202 814030754 /nfs/dbraw/zinc/03/07/54/814030754.db2.gz VRXPEAFUEATVII-CABCVRRESA-N 1 3 264.457 3.371 20 0 CGADHO CN(CC/C=C/c1cccnc1)CCC[NH+]1CCCCC1 ZINC001209452689 814048435 /nfs/dbraw/zinc/04/84/35/814048435.db2.gz RRTSJAKZIBOLEJ-YCRREMRBSA-N 1 3 287.451 3.293 20 0 CGADHO C[NH2+][C@@H](CC(C)C)C(=O)NCCP(C(C)C)C(C)C ZINC001221254783 816308351 /nfs/dbraw/zinc/30/83/51/816308351.db2.gz SXLMODWMAFDILN-AWEZNQCLSA-N 1 3 288.416 3.035 20 0 CGADHO c1ccn(-c2ccccc2CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222147911 816359971 /nfs/dbraw/zinc/35/99/71/816359971.db2.gz FANHKUPTIICXKW-IBGZPJMESA-N 1 3 295.430 3.053 20 0 CGADHO Nc1cccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167748 816367730 /nfs/dbraw/zinc/36/77/30/816367730.db2.gz QBLGTGPCBATONF-GOSISDBHSA-N 1 3 287.451 3.015 20 0 CGADHO C(CC1CCCC1)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222231098 816379028 /nfs/dbraw/zinc/37/90/28/816379028.db2.gz JBLJOGHPAWTRNN-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO C(CC1CCCC1)C[N@H+]1CCC[C@]12CCCNC2 ZINC001222231098 816379036 /nfs/dbraw/zinc/37/90/36/816379036.db2.gz JBLJOGHPAWTRNN-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@]12CCCNC2)c1ccccc1 ZINC001222231859 816380370 /nfs/dbraw/zinc/38/03/70/816380370.db2.gz QCGMNMFGHMSBAG-RDJZCZTQSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@]12CCCNC2)c1ccccc1 ZINC001222231859 816380380 /nfs/dbraw/zinc/38/03/80/816380380.db2.gz QCGMNMFGHMSBAG-RDJZCZTQSA-N 1 3 258.409 3.008 20 0 CGADHO CCOc1ccccc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309677 816405180 /nfs/dbraw/zinc/40/51/80/816405180.db2.gz PIVMFXZUXZZOFT-GOSISDBHSA-N 1 3 288.435 3.193 20 0 CGADHO C[C@@H](CC[N@@H+]1CC[C@H]2CNCC[C@H]21)CC(C)(C)C ZINC001222615997 816479142 /nfs/dbraw/zinc/47/91/42/816479142.db2.gz VDJDYSGKBAFVSP-SOUVJXGZSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](CC[N@H+]1CC[C@H]2CNCC[C@H]21)CC(C)(C)C ZINC001222615997 816479147 /nfs/dbraw/zinc/47/91/47/816479147.db2.gz VDJDYSGKBAFVSP-SOUVJXGZSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232147221 818263695 /nfs/dbraw/zinc/26/36/95/818263695.db2.gz MFFOHZAWPAEROQ-MRXNPFEDSA-N 1 3 264.388 3.262 20 0 CGADHO CC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232147221 818263703 /nfs/dbraw/zinc/26/37/03/818263703.db2.gz MFFOHZAWPAEROQ-MRXNPFEDSA-N 1 3 264.388 3.262 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC2(CNC2)C1 ZINC001235024612 818979877 /nfs/dbraw/zinc/97/98/77/818979877.db2.gz OWVCAGRHAPHWAG-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CCC2(CNC2)C1 ZINC001235024612 818979888 /nfs/dbraw/zinc/97/98/88/818979888.db2.gz OWVCAGRHAPHWAG-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@@H](C)CCN1CCC2(C[NH2+]C2)C1 ZINC001235024612 818979891 /nfs/dbraw/zinc/97/98/91/818979891.db2.gz OWVCAGRHAPHWAG-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235043764 818990389 /nfs/dbraw/zinc/99/03/89/818990389.db2.gz HDSSQQWYELXMRG-SFHVURJKSA-N 1 3 272.436 3.412 20 0 CGADHO CC1=CC[C@H](CCN2C[C@H]3CCC[C@@]3([NH3+])C2)C1(C)C ZINC001235240010 819044617 /nfs/dbraw/zinc/04/46/17/819044617.db2.gz ISNKQWFNGUPSBD-BFYDXBDKSA-N 1 3 262.441 3.182 20 0 CGADHO [NH3+][C@H]1C[C@@H]2C[C@H]1CN2CCCc1ccc(Cl)c(Cl)c1 ZINC001235254486 819051942 /nfs/dbraw/zinc/05/19/42/819051942.db2.gz JJERBEUVQDJPBQ-HUBLWGQQSA-N 1 3 299.245 3.348 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235273339 819059983 /nfs/dbraw/zinc/05/99/83/819059983.db2.gz RHVXDVXXHMQNTJ-APWZRJJASA-N 1 3 280.415 3.332 20 0 CGADHO F[C@H]1CC[NH2+]C[C@@]12CCN(Cc1cccc3ccccc31)C2 ZINC001235400431 819084494 /nfs/dbraw/zinc/08/44/94/819084494.db2.gz CXOVVLLSYMHSOZ-RBUKOAKNSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@H+](Cc1cccc3ccccc31)C2 ZINC001235400431 819084498 /nfs/dbraw/zinc/08/44/98/819084498.db2.gz CXOVVLLSYMHSOZ-RBUKOAKNSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400431 819084502 /nfs/dbraw/zinc/08/45/02/819084502.db2.gz CXOVVLLSYMHSOZ-RBUKOAKNSA-N 1 3 298.405 3.363 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CCN1CCCC2(C[NH2+]C2)C1 ZINC001235710825 819146793 /nfs/dbraw/zinc/14/67/93/819146793.db2.gz GQWFGYSWXZIIFR-MRXNPFEDSA-N 1 3 296.499 3.293 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCCC2(CNC2)C1 ZINC001235710825 819146798 /nfs/dbraw/zinc/14/67/98/819146798.db2.gz GQWFGYSWXZIIFR-MRXNPFEDSA-N 1 3 296.499 3.293 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCCC2(CNC2)C1 ZINC001235710825 819146802 /nfs/dbraw/zinc/14/68/02/819146802.db2.gz GQWFGYSWXZIIFR-MRXNPFEDSA-N 1 3 296.499 3.293 20 0 CGADHO Cc1cccc(Cl)c1CN(C)CCC1CC[NH2+]CC1 ZINC001235716878 819150434 /nfs/dbraw/zinc/15/04/34/819150434.db2.gz KYXAWMIYAWJGON-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1csc(Cl)c1 ZINC001235716885 819150784 /nfs/dbraw/zinc/15/07/84/819150784.db2.gz LINSJUKDNKBKLT-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894107 819203309 /nfs/dbraw/zinc/20/33/09/819203309.db2.gz ZXPWBSNXKNNTKW-FUHWJXTLSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894107 819203316 /nfs/dbraw/zinc/20/33/16/819203316.db2.gz ZXPWBSNXKNNTKW-FUHWJXTLSA-N 1 3 290.451 3.185 20 0 CGADHO [NH3+]CCC1CN(Cc2ccccc2Oc2ccccc2)C1 ZINC001235918564 819220391 /nfs/dbraw/zinc/22/03/91/819220391.db2.gz GCCFUDTYGBCNDZ-UHFFFAOYSA-N 1 3 282.387 3.260 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939853 819234609 /nfs/dbraw/zinc/23/46/09/819234609.db2.gz QNDNELICCLFTQX-KBPBESRZSA-N 1 3 298.352 3.055 20 0 CGADHO CN(Cc1cccc2[nH]cc(Cl)c21)C[C@@H]1CCC[NH2+]C1 ZINC001235950364 819240454 /nfs/dbraw/zinc/24/04/54/819240454.db2.gz CMZAQMZPMAAQLK-GFCCVEGCSA-N 1 3 291.826 3.253 20 0 CGADHO C[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950611 819241489 /nfs/dbraw/zinc/24/14/89/819241489.db2.gz INZBXURJYBTOPS-UKPHBRMFSA-N 1 3 292.854 3.375 20 0 CGADHO C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950611 819241490 /nfs/dbraw/zinc/24/14/90/819241490.db2.gz INZBXURJYBTOPS-UKPHBRMFSA-N 1 3 292.854 3.375 20 0 CGADHO CN(C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950611 819241496 /nfs/dbraw/zinc/24/14/96/819241496.db2.gz INZBXURJYBTOPS-UKPHBRMFSA-N 1 3 292.854 3.375 20 0 CGADHO CC1=CC[C@H](CC[N@@H+](C)C[C@@H]2CCCNC2)C1(C)C ZINC001235951398 819242217 /nfs/dbraw/zinc/24/22/17/819242217.db2.gz RUVCJRJKIKLVRM-HZPDHXFCSA-N 1 3 264.457 3.300 20 0 CGADHO CC1=CC[C@H](CC[N@H+](C)C[C@@H]2CCCNC2)C1(C)C ZINC001235951398 819242221 /nfs/dbraw/zinc/24/22/21/819242221.db2.gz RUVCJRJKIKLVRM-HZPDHXFCSA-N 1 3 264.457 3.300 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959167 819247235 /nfs/dbraw/zinc/24/72/35/819247235.db2.gz FXKQXVMEVGTNLI-AGGWBTHJSA-N 1 3 298.352 3.183 20 0 CGADHO CCCOc1ccccc1CN1CC2(C1)CCC[NH2+]CC2 ZINC001236010789 819274263 /nfs/dbraw/zinc/27/42/63/819274263.db2.gz XANUNBUXGGNGGA-UHFFFAOYSA-N 1 3 288.435 3.051 20 0 CGADHO c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)cc(C2CC2)c1 ZINC001236084945 819307320 /nfs/dbraw/zinc/30/73/20/819307320.db2.gz KRQTWJMJJHGEQO-UHFFFAOYSA-N 1 3 279.387 3.036 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)cc1C ZINC001236211016 819371416 /nfs/dbraw/zinc/37/14/16/819371416.db2.gz FIUAFYYHCUBELX-JKSUJKDBSA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)cc1C ZINC001236211016 819371418 /nfs/dbraw/zinc/37/14/18/819371418.db2.gz FIUAFYYHCUBELX-JKSUJKDBSA-N 1 3 276.424 3.014 20 0 CGADHO Cc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236210568 819372177 /nfs/dbraw/zinc/37/21/77/819372177.db2.gz DKVJJRXFSCVGDW-HZPDHXFCSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236210568 819372185 /nfs/dbraw/zinc/37/21/85/819372185.db2.gz DKVJJRXFSCVGDW-HZPDHXFCSA-N 1 3 271.408 3.178 20 0 CGADHO C[NH2+]C1CCC(N(C)Cc2ccc(C)c(F)c2F)CC1 ZINC001236213775 819375334 /nfs/dbraw/zinc/37/53/34/819375334.db2.gz VOMXOWQNOZIBBP-UHFFFAOYSA-N 1 3 282.378 3.236 20 0 CGADHO Cc1ccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c2c1 ZINC001236213847 819375890 /nfs/dbraw/zinc/37/58/90/819375890.db2.gz PCFANOCGSOWACN-DOTOQJQBSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c2c1 ZINC001236213847 819375897 /nfs/dbraw/zinc/37/58/97/819375897.db2.gz PCFANOCGSOWACN-DOTOQJQBSA-N 1 3 271.408 3.178 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CCN1CCC[C@@H]1C[NH3+] ZINC001236245727 819402800 /nfs/dbraw/zinc/40/28/00/819402800.db2.gz VDBSZKBMVDOQKT-HUUCEWRRSA-N 1 3 270.461 3.031 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2c(c1)NCCC2 ZINC001236323219 819425783 /nfs/dbraw/zinc/42/57/83/819425783.db2.gz YQCNYJVMAIBNPU-UHFFFAOYSA-N 1 3 289.467 3.208 20 0 CGADHO Cc1cc2[nH]ccc2c(-c2cccc3c2CC[NH2+]C3)n1 ZINC001236343671 819428951 /nfs/dbraw/zinc/42/89/51/819428951.db2.gz MIUHKXYRXLCJPT-UHFFFAOYSA-N 1 3 263.344 3.184 20 0 CGADHO Nc1cccc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236376084 819442169 /nfs/dbraw/zinc/44/21/69/819442169.db2.gz OYYKHALNUNWAMU-INIZCTEOSA-N 1 3 287.451 3.013 20 0 CGADHO Nc1cccc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)c1 ZINC001236376084 819442176 /nfs/dbraw/zinc/44/21/76/819442176.db2.gz OYYKHALNUNWAMU-INIZCTEOSA-N 1 3 287.451 3.013 20 0 CGADHO Fc1cccc(CN(CC2CCC2)C2CC[NH2+]CC2)c1 ZINC001236400498 819450871 /nfs/dbraw/zinc/45/08/71/819450871.db2.gz DPKPVIMGVNMOGX-UHFFFAOYSA-N 1 3 276.399 3.180 20 0 CGADHO Fc1cccc(C[N@H+](CC2CCC2)C2CCNCC2)c1 ZINC001236400498 819450873 /nfs/dbraw/zinc/45/08/73/819450873.db2.gz DPKPVIMGVNMOGX-UHFFFAOYSA-N 1 3 276.399 3.180 20 0 CGADHO Fc1cccc(C[N@@H+](CC2CCC2)C2CCNCC2)c1 ZINC001236400498 819450878 /nfs/dbraw/zinc/45/08/78/819450878.db2.gz DPKPVIMGVNMOGX-UHFFFAOYSA-N 1 3 276.399 3.180 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC001236817240 819606210 /nfs/dbraw/zinc/60/62/10/819606210.db2.gz AMUUBVUPZJYUEC-VBNZEHGJSA-N 1 3 278.465 3.260 20 0 CGADHO CCCN(Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236834167 819612939 /nfs/dbraw/zinc/61/29/39/819612939.db2.gz DZYDYZOCUPFDED-CQSZACIVSA-N 1 3 298.377 3.110 20 0 CGADHO CCCN(Cc1cc(C)c(OC)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236836250 819615720 /nfs/dbraw/zinc/61/57/20/819615720.db2.gz UADPFHXKRUCPTA-INIZCTEOSA-N 1 3 290.451 3.134 20 0 CGADHO CCCN(Cc1ccc(-n2cccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236842925 819618374 /nfs/dbraw/zinc/61/83/74/819618374.db2.gz HUBRHEPTIYLMHL-GOSISDBHSA-N 1 3 297.446 3.299 20 0 CGADHO CCc1cccc2c(CN3CCC[C@](C)(C[NH3+])C3)c[nH]c21 ZINC001237057472 819657412 /nfs/dbraw/zinc/65/74/12/819657412.db2.gz NENRTUJTANLRMK-GOSISDBHSA-N 1 3 285.435 3.291 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078812 819661877 /nfs/dbraw/zinc/66/18/77/819661877.db2.gz RVUGKJUXEXYZKO-JMGFVUJMSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078812 819661881 /nfs/dbraw/zinc/66/18/81/819661881.db2.gz RVUGKJUXEXYZKO-JMGFVUJMSA-N 1 3 278.827 3.113 20 0 CGADHO CC[C@@H](N)C[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001237258408 819709879 /nfs/dbraw/zinc/70/98/79/819709879.db2.gz MGQJCWOZPFFHDN-GOSISDBHSA-N 1 3 297.446 3.227 20 0 CGADHO CCC[NH+]1C[C@H]2CN(Cc3c(C)cccc3CC)C[C@@H]2C1 ZINC001237331566 819730674 /nfs/dbraw/zinc/73/06/74/819730674.db2.gz ZVDCZNZRFPCXLP-ROUUACIJSA-N 1 3 286.463 3.331 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cccc(C)c1OC ZINC001237507030 819767362 /nfs/dbraw/zinc/76/73/62/819767362.db2.gz JFNSCLVYEAJWNP-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cccc(C)c1OC ZINC001237507030 819767364 /nfs/dbraw/zinc/76/73/64/819767364.db2.gz JFNSCLVYEAJWNP-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO C[NH+]1CCC(c2ccc(-c3ccnc(CN)c3)cc2)CC1 ZINC001243656823 823476757 /nfs/dbraw/zinc/47/67/57/823476757.db2.gz IYNQTHNJMSJKFX-UHFFFAOYSA-N 1 3 281.403 3.017 20 0 CGADHO C[C@H]([NH3+])c1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1 ZINC001243670891 823480944 /nfs/dbraw/zinc/48/09/44/823480944.db2.gz DLNVFOMIZKTEQA-HNNXBMFYSA-N 1 3 295.430 3.125 20 0 CGADHO CN(C)/C=C/c1ccncc1-c1ccccc1C[NH+](C)C ZINC001239685867 820521528 /nfs/dbraw/zinc/52/15/28/820521528.db2.gz BIQCKEIOYPDADM-ZRDIBKRKSA-N 1 3 281.403 3.343 20 0 CGADHO NCc1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC001241386940 821786994 /nfs/dbraw/zinc/78/69/94/821786994.db2.gz OBMRQEPMFURBKS-UHFFFAOYSA-N 1 3 281.403 3.193 20 0 CGADHO CN(C)Cc1cncc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001242121948 822884996 /nfs/dbraw/zinc/88/49/96/822884996.db2.gz IWPHVLHQNYJONP-UHFFFAOYSA-N 1 3 295.430 3.406 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC001474344718 937853054 /nfs/dbraw/zinc/85/30/54/937853054.db2.gz RRWOJDDBIFWULS-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CC[C@H](C)NC1)c1cccs1 ZINC000399019627 926754959 /nfs/dbraw/zinc/75/49/59/926754959.db2.gz DPUGDHFNQPRIFW-XQQFMLRXSA-N 1 3 252.427 3.319 20 0 CGADHO Cc1cc(Nc2ccc3c(c2)CC[NH2+]C3)c2ccccc2n1 ZINC001159105633 931981627 /nfs/dbraw/zinc/98/16/27/931981627.db2.gz YNONVNYYRIVXQC-UHFFFAOYSA-N 1 3 289.382 3.354 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)C[C@@H]1C ZINC001461773006 937596537 /nfs/dbraw/zinc/59/65/37/937596537.db2.gz AHWBRUQDIVMUTP-MXSMSXNCSA-N 1 3 289.467 3.489 20 0 CGADHO CCC[C@@H](C)CCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC001307979378 933028607 /nfs/dbraw/zinc/02/86/07/933028607.db2.gz YNRONIGLRPDKTF-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO CCC[C@@H](C)CCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC001307979378 933028613 /nfs/dbraw/zinc/02/86/13/933028613.db2.gz YNRONIGLRPDKTF-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCSC(C)(C)C ZINC001308089847 933046896 /nfs/dbraw/zinc/04/68/96/933046896.db2.gz OOIJGNNOYDYYTP-AWEZNQCLSA-N 1 3 293.480 3.124 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001308233997 933077398 /nfs/dbraw/zinc/07/73/98/933077398.db2.gz MLQGAWJXABSJEC-NSHDSACASA-N 1 3 264.344 3.002 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748933 933170145 /nfs/dbraw/zinc/17/01/45/933170145.db2.gz XRAQPAUKYLZDFG-WOJBJXKFSA-N 1 3 298.474 3.482 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748933 933170150 /nfs/dbraw/zinc/17/01/50/933170150.db2.gz XRAQPAUKYLZDFG-WOJBJXKFSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748933 933170152 /nfs/dbraw/zinc/17/01/52/933170152.db2.gz XRAQPAUKYLZDFG-WOJBJXKFSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748933 933170157 /nfs/dbraw/zinc/17/01/57/933170157.db2.gz XRAQPAUKYLZDFG-WOJBJXKFSA-N 1 3 298.474 3.482 20 0 CGADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCCC1 ZINC001308814489 933182182 /nfs/dbraw/zinc/18/21/82/933182182.db2.gz DYPHLBCLPHEZSU-ZLPCBKJTSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cnc2ccccc2c1NC1CC[NH+](C(C)C)CC1 ZINC001319314868 933856232 /nfs/dbraw/zinc/85/62/32/933856232.db2.gz SPZRZEDEMMFUSY-UHFFFAOYSA-N 1 3 283.419 3.250 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001323960250 934443120 /nfs/dbraw/zinc/44/31/20/934443120.db2.gz OVRJFHUXHFXDBC-KBPBESRZSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001323960250 934443124 /nfs/dbraw/zinc/44/31/24/934443124.db2.gz OVRJFHUXHFXDBC-KBPBESRZSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc2c(c1)CCC2 ZINC001329023076 935179270 /nfs/dbraw/zinc/17/92/70/935179270.db2.gz GJDINFXXZPDCNK-ZDUSSCGKSA-N 1 3 295.430 3.188 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cnn(-c2ccccc2)c1 ZINC001331835543 935413440 /nfs/dbraw/zinc/41/34/40/935413440.db2.gz QYBSPXLPXICTGN-HDMKZQKVSA-N 1 3 298.434 3.040 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccnc4ccccc43)C[C@H]2C1 ZINC001335132961 936130856 /nfs/dbraw/zinc/13/08/56/936130856.db2.gz ZROUXXYFSCEJBQ-BZUAXINKSA-N 1 3 295.430 3.401 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2(C)CCCC2)C1 ZINC001474344718 937853051 /nfs/dbraw/zinc/85/30/51/937853051.db2.gz RRWOJDDBIFWULS-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H](C[N@H+](C)CCCN1CCCC1)c1cc(F)cc(F)c1 ZINC001474478165 937862586 /nfs/dbraw/zinc/86/25/86/937862586.db2.gz ZXQXBCLLYYTKGG-AWEZNQCLSA-N 1 3 296.405 3.486 20 0 CGADHO C[C@@H](C[N@@H+](C)CCCN1CCCC1)c1cc(F)cc(F)c1 ZINC001474478165 937862587 /nfs/dbraw/zinc/86/25/87/937862587.db2.gz ZXQXBCLLYYTKGG-AWEZNQCLSA-N 1 3 296.405 3.486 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC001474759998 937879484 /nfs/dbraw/zinc/87/94/84/937879484.db2.gz YYSURZBNFAJMTA-XHSDSOJGSA-N 1 3 284.488 3.290 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC001549548345 938157908 /nfs/dbraw/zinc/15/79/08/938157908.db2.gz VSSCMRAMPIZSRW-ZJPYXAASSA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC001549548345 938157909 /nfs/dbraw/zinc/15/79/09/938157909.db2.gz VSSCMRAMPIZSRW-ZJPYXAASSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1[C@H](c2ccccc2)C1(C)C)[C@H]1CCC[NH2+]C1 ZINC001549711907 938158845 /nfs/dbraw/zinc/15/88/45/938158845.db2.gz YECZYNIDZPZGGY-QSPRXWTASA-N 1 3 272.436 3.156 20 0 CGADHO c1cc2c(cccc2C2CCN(C[C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC001550351762 938166289 /nfs/dbraw/zinc/16/62/89/938166289.db2.gz CJVFTTWREXVWQQ-HNNXBMFYSA-N 1 3 297.446 3.347 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3ccccc3F)C1)[NH2+]2 ZINC001553025957 938196059 /nfs/dbraw/zinc/19/60/59/938196059.db2.gz PHMWHOROAXYCKK-IZKNBCKUSA-N 1 3 288.410 3.190 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001553028106 938196095 /nfs/dbraw/zinc/19/60/95/938196095.db2.gz UMKYCZNVEXAMAL-SJHCENCUSA-N 1 3 290.373 3.084 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC2CC(c3ccc(Cl)cc3)C2)C12CCC2 ZINC001553026895 938196168 /nfs/dbraw/zinc/19/61/68/938196168.db2.gz ZYHLGYDHCVPUMM-DISOXQEGSA-N 1 3 290.838 3.446 20 0 CGADHO CCCOC1(CN[C@@H](C)C[C@H]2CCC[NH2+]2)CCCCC1 ZINC001577577239 960476829 /nfs/dbraw/zinc/47/68/29/960476829.db2.gz HBQCMCQLQOVXHR-JKSUJKDBSA-N 1 3 282.472 3.236 20 0 CGADHO CC(C)(CN)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC001575315166 962362935 /nfs/dbraw/zinc/36/29/35/962362935.db2.gz KPDUYGUOOAOLNJ-UHFFFAOYSA-N 1 3 296.405 3.204 20 0 CGADHO CC(C)(C[NH3+])CN1CCC(Cc2cccc(F)c2F)CC1 ZINC001575315166 962362963 /nfs/dbraw/zinc/36/29/63/962362963.db2.gz KPDUYGUOOAOLNJ-UHFFFAOYSA-N 1 3 296.405 3.204 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC001575422210 962374537 /nfs/dbraw/zinc/37/45/37/962374537.db2.gz FWPMIJPVWSDCPT-DLBZAZTESA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC001575422210 962374553 /nfs/dbraw/zinc/37/45/53/962374553.db2.gz FWPMIJPVWSDCPT-DLBZAZTESA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN1CCCCC[C@@H]1c1ccncc1 ZINC001575422210 962374570 /nfs/dbraw/zinc/37/45/70/962374570.db2.gz FWPMIJPVWSDCPT-DLBZAZTESA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001575423774 962374828 /nfs/dbraw/zinc/37/48/28/962374828.db2.gz XQZIDVMKXDDTQJ-ZWKOTPCHSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001575423774 962374845 /nfs/dbraw/zinc/37/48/45/962374845.db2.gz XQZIDVMKXDDTQJ-ZWKOTPCHSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001575531261 962387752 /nfs/dbraw/zinc/38/77/52/962387752.db2.gz NCDQIJPCZKWERO-ARFHVFGLSA-N 1 3 252.446 3.120 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001575531261 962387772 /nfs/dbraw/zinc/38/77/72/962387772.db2.gz NCDQIJPCZKWERO-ARFHVFGLSA-N 1 3 252.446 3.120 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC001575853766 962411655 /nfs/dbraw/zinc/41/16/55/962411655.db2.gz CLALDQXDNDYOMT-OALUTQOASA-N 1 3 286.463 3.413 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC001575853766 962411664 /nfs/dbraw/zinc/41/16/64/962411664.db2.gz CLALDQXDNDYOMT-OALUTQOASA-N 1 3 286.463 3.413 20 0 CGADHO C[C@H](CC1CCCCC1)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001575934674 962414572 /nfs/dbraw/zinc/41/45/72/962414572.db2.gz RZUZVHLSBJYAJF-OIISXLGYSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001575940958 962421063 /nfs/dbraw/zinc/42/10/63/962421063.db2.gz FTKLVTFSWGPKEF-WUHRBBMRSA-N 1 3 276.346 3.004 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)NC[C@@H]([NH3+])CC(F)(F)F ZINC001576058180 962426256 /nfs/dbraw/zinc/42/62/56/962426256.db2.gz VDNRLOFPBPEXKJ-ONGXEEELSA-N 1 3 294.748 3.140 20 0 CGADHO CSCC[C@@H](C)[N@H+](C)C[C@@H](N)CCC(C)(C)C ZINC001579370869 962624091 /nfs/dbraw/zinc/62/40/91/962624091.db2.gz SXCYPONJDTWZNM-OLZOCXBDSA-N 1 3 260.491 3.213 20 0 CGADHO CSCC[C@@H](C)[N@@H+](C)C[C@@H](N)CCC(C)(C)C ZINC001579370869 962624109 /nfs/dbraw/zinc/62/41/09/962624109.db2.gz SXCYPONJDTWZNM-OLZOCXBDSA-N 1 3 260.491 3.213 20 0 CGADHO Cc1ccc([C@H](C)C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)cc1 ZINC001579665608 962649824 /nfs/dbraw/zinc/64/98/24/962649824.db2.gz CZHKXWINYSNURK-LHHMISFZSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1ccc([C@H](C)C[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)cc1 ZINC001579665608 962649835 /nfs/dbraw/zinc/64/98/35/962649835.db2.gz CZHKXWINYSNURK-LHHMISFZSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1sccc1CNCC[C@H]([NH3+])Cc1ccccc1 ZINC001579937495 962676076 /nfs/dbraw/zinc/67/60/76/962676076.db2.gz VXCVGFLVXXBSCM-INIZCTEOSA-N 1 3 274.433 3.106 20 0 CGADHO Fc1ccc(CCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001580030016 962685918 /nfs/dbraw/zinc/68/59/18/962685918.db2.gz FFSUUNAFETWTPE-SJLPKXTDSA-N 1 3 290.426 3.222 20 0 CGADHO NCC1(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)CCC1 ZINC001580243461 962706878 /nfs/dbraw/zinc/70/68/78/962706878.db2.gz HVDQAEVUZFIFSC-UHFFFAOYSA-N 1 3 292.854 3.381 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000337403471 214059343 /nfs/dbraw/zinc/05/93/43/214059343.db2.gz QYSNUDUFUPUEAA-ZWKOTPCHSA-N 1 3 290.451 3.043 20 0 CGADHO CCc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000124514370 187140661 /nfs/dbraw/zinc/14/06/61/187140661.db2.gz YTZZCICLLRRNGW-MRXNPFEDSA-N 1 3 295.430 3.472 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC1CC[NH+](CC(C)C)CC1 ZINC000651674235 398266918 /nfs/dbraw/zinc/26/69/18/398266918.db2.gz HLYYVJSDSDMCAY-MRXNPFEDSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000651741414 398279356 /nfs/dbraw/zinc/27/93/56/398279356.db2.gz JGRYUANGXCUZER-SJORKVTESA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000651741414 398279358 /nfs/dbraw/zinc/27/93/58/398279358.db2.gz JGRYUANGXCUZER-SJORKVTESA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741414 398279359 /nfs/dbraw/zinc/27/93/59/398279359.db2.gz JGRYUANGXCUZER-SJORKVTESA-N 1 3 298.515 3.395 20 0 CGADHO CC(C)CN(C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000651865171 398297902 /nfs/dbraw/zinc/29/79/02/398297902.db2.gz PJSVVWTYMDNFOH-UHFFFAOYSA-N 1 3 276.415 3.378 20 0 CGADHO CC[N@H+](CCCN[C@H]1CCOC[C@H]1C)C1CCCCC1 ZINC000651910533 398305702 /nfs/dbraw/zinc/30/57/02/398305702.db2.gz XPWDJOJXRBYMIW-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CCOC[C@H]1C)C1CCCCC1 ZINC000651910533 398305704 /nfs/dbraw/zinc/30/57/04/398305704.db2.gz XPWDJOJXRBYMIW-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NCC1C[NH2+]C1 ZINC000423307376 529425706 /nfs/dbraw/zinc/42/57/06/529425706.db2.gz VUOIWNBVSHEHCR-CYBMUJFWSA-N 1 3 287.234 3.124 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1CNC1 ZINC000423307376 529425707 /nfs/dbraw/zinc/42/57/07/529425707.db2.gz VUOIWNBVSHEHCR-CYBMUJFWSA-N 1 3 287.234 3.124 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423476927 529453372 /nfs/dbraw/zinc/45/33/72/529453372.db2.gz SXFOPUVGRCFMDI-GYSYKLTISA-N 1 3 254.805 3.159 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423471516 529453942 /nfs/dbraw/zinc/45/39/42/529453942.db2.gz PRQMYEBOVOJXAA-DZKIICNBSA-N 1 3 294.414 3.187 20 0 CGADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449104683 529595981 /nfs/dbraw/zinc/59/59/81/529595981.db2.gz WLXPKCAKYKPOAL-ZOBUZTSGSA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000126174763 187222593 /nfs/dbraw/zinc/22/25/93/187222593.db2.gz VPSOFGHLJSQZCO-NUJGCVRESA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000126174763 187222595 /nfs/dbraw/zinc/22/25/95/187222595.db2.gz VPSOFGHLJSQZCO-NUJGCVRESA-N 1 3 290.451 3.082 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(Cl)c1 ZINC000423313563 529619127 /nfs/dbraw/zinc/61/91/27/529619127.db2.gz FWBVNNLQPCOFHQ-KBPBESRZSA-N 1 3 252.789 3.118 20 0 CGADHO CCCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623360871 349789095 /nfs/dbraw/zinc/78/90/95/349789095.db2.gz BZCKXFHDNCAIPK-INIZCTEOSA-N 1 3 290.451 3.438 20 0 CGADHO Cc1cccc(OC[C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623372259 349792344 /nfs/dbraw/zinc/79/23/44/349792344.db2.gz MCGMIISPTKKMJI-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(OC[C@@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372259 349792346 /nfs/dbraw/zinc/79/23/46/349792346.db2.gz MCGMIISPTKKMJI-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO CN1CCC[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623410678 349802208 /nfs/dbraw/zinc/80/22/08/349802208.db2.gz AEWVLPVBLSMFDX-SNVBAGLBSA-N 1 3 292.370 3.198 20 0 CGADHO CN1CC[C@H]([NH2+][C@@H]2CSc3ccccc32)CC1(C)C ZINC000623424374 349804472 /nfs/dbraw/zinc/80/44/72/349804472.db2.gz PAGWNGREHCBYBF-GXTWGEPZSA-N 1 3 276.449 3.296 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423270264 529722279 /nfs/dbraw/zinc/72/22/79/529722279.db2.gz HZTMZSAVHMXNPI-SGMGOOAPSA-N 1 3 266.454 3.479 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)s1 ZINC000423270264 529722280 /nfs/dbraw/zinc/72/22/80/529722280.db2.gz HZTMZSAVHMXNPI-SGMGOOAPSA-N 1 3 266.454 3.479 20 0 CGADHO CC[C@H](NCCOCC[NH+](C)C)c1ccc(Cl)s1 ZINC000351505054 219107150 /nfs/dbraw/zinc/10/71/50/219107150.db2.gz ZAQAWBISRFSFHT-NSHDSACASA-N 1 3 290.860 3.020 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623656900 349858684 /nfs/dbraw/zinc/85/86/84/349858684.db2.gz FDPIKUUMUACEDP-XIRDDKMYSA-N 1 3 264.457 3.300 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657347 349859733 /nfs/dbraw/zinc/85/97/33/349859733.db2.gz OJSVMKIYSVTGKD-GVDBMIGSSA-N 1 3 264.457 3.300 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CCCCN(C)C3)cc21 ZINC000623657690 349859914 /nfs/dbraw/zinc/85/99/14/349859914.db2.gz WRAFLNXWONOEKF-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657260 349857656 /nfs/dbraw/zinc/85/76/56/349857656.db2.gz MIEASSJFFVTZBM-IRXDYDNUSA-N 1 3 274.452 3.248 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423270777 529985540 /nfs/dbraw/zinc/98/55/40/529985540.db2.gz IMPNYRBPAXQZAJ-IALDZJHCSA-N 1 3 280.378 3.189 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1cccc2ccccc21 ZINC000423279697 529985789 /nfs/dbraw/zinc/98/57/89/529985789.db2.gz SUNBMZVWSNODCT-KGLIPLIRSA-N 1 3 256.393 3.346 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](c1cccs1)C1CCCC1 ZINC000423267842 529985852 /nfs/dbraw/zinc/98/58/52/529985852.db2.gz FKIWRBWQOGXECM-IUODEOHRSA-N 1 3 266.454 3.425 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](CSc1ccccc1)C(C)C ZINC000423281633 529999795 /nfs/dbraw/zinc/99/97/95/529999795.db2.gz VVYBULYEITYZOW-GOEBONIOSA-N 1 3 280.481 3.248 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000423270322 529999835 /nfs/dbraw/zinc/99/98/35/529999835.db2.gz HSKKBSGTSLCSMC-DOTOQJQBSA-N 1 3 262.441 3.089 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040622746 344963928 /nfs/dbraw/zinc/96/39/28/344963928.db2.gz GTZWTEYGDCLFRK-MXWWQKGMSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000040622746 344963930 /nfs/dbraw/zinc/96/39/30/344963930.db2.gz GTZWTEYGDCLFRK-MXWWQKGMSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000040622746 344963932 /nfs/dbraw/zinc/96/39/32/344963932.db2.gz GTZWTEYGDCLFRK-MXWWQKGMSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000040623158 344964063 /nfs/dbraw/zinc/96/40/63/344964063.db2.gz IYQOCJPPJLFYOW-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(C)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000049670308 345075212 /nfs/dbraw/zinc/07/52/12/345075212.db2.gz NUBILISLLGPDBY-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1ccc(C)c(CNC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000049670308 345075214 /nfs/dbraw/zinc/07/52/14/345075214.db2.gz NUBILISLLGPDBY-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCSc2ccccc21 ZINC000096543569 232181548 /nfs/dbraw/zinc/18/15/48/232181548.db2.gz XOPGCLPBUWMWML-AWEZNQCLSA-N 1 3 278.465 3.401 20 0 CGADHO CCCC[N@H+](C)CC1CCN(CCC(F)(F)F)CC1 ZINC000077313205 345568333 /nfs/dbraw/zinc/56/83/33/345568333.db2.gz HSBOKABMZUQHRH-UHFFFAOYSA-N 1 3 280.378 3.383 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(CCC(F)(F)F)CC1 ZINC000077313205 345568335 /nfs/dbraw/zinc/56/83/35/345568335.db2.gz HSBOKABMZUQHRH-UHFFFAOYSA-N 1 3 280.378 3.383 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)CN1CCCC1 ZINC000165306966 232262381 /nfs/dbraw/zinc/26/23/81/232262381.db2.gz UIAPADSEVIPLFU-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597586 345884072 /nfs/dbraw/zinc/88/40/72/345884072.db2.gz URINYWOXYVEFIL-NEWSRXKRSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000093597586 345884076 /nfs/dbraw/zinc/88/40/76/345884076.db2.gz URINYWOXYVEFIL-NEWSRXKRSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000093597586 345884077 /nfs/dbraw/zinc/88/40/77/345884077.db2.gz URINYWOXYVEFIL-NEWSRXKRSA-N 1 3 284.447 3.208 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127526811 346032010 /nfs/dbraw/zinc/03/20/10/346032010.db2.gz FBDWHYCXSNTHHE-CQSZACIVSA-N 1 3 266.404 3.251 20 0 CGADHO CC[NH+](CC)CCCNC[C@@H](C)c1ccc(F)cc1 ZINC000127526811 346032013 /nfs/dbraw/zinc/03/20/13/346032013.db2.gz FBDWHYCXSNTHHE-CQSZACIVSA-N 1 3 266.404 3.251 20 0 CGADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243301 346089918 /nfs/dbraw/zinc/08/99/18/346089918.db2.gz QLVOKEGJGIFZMC-CXAGYDPISA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243301 346089921 /nfs/dbraw/zinc/08/99/21/346089921.db2.gz QLVOKEGJGIFZMC-CXAGYDPISA-N 1 3 258.409 3.095 20 0 CGADHO CC[NH+]1CCC(CNCc2ccc(C)cc2Cl)CC1 ZINC000233978757 346330710 /nfs/dbraw/zinc/33/07/10/346330710.db2.gz JMZONZGPKKOVBF-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CCCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228537757 346315279 /nfs/dbraw/zinc/31/52/79/346315279.db2.gz NQFDAPCOAMEEMC-CGTJXYLNSA-N 1 3 288.435 3.035 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188446 370652277 /nfs/dbraw/zinc/65/22/77/370652277.db2.gz QTJFBVMSRBBMAK-FDQGKXFDSA-N 1 3 288.435 3.219 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188446 370652279 /nfs/dbraw/zinc/65/22/79/370652279.db2.gz QTJFBVMSRBBMAK-FDQGKXFDSA-N 1 3 288.435 3.219 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120757 349978751 /nfs/dbraw/zinc/97/87/51/349978751.db2.gz GJVTVSSARBGRQG-CVEARBPZSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@H](C)C1 ZINC000624122094 349980793 /nfs/dbraw/zinc/98/07/93/349980793.db2.gz JMHIZLJWJIDTEU-WCVJEAGWSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(C)n1 ZINC000624122427 349982073 /nfs/dbraw/zinc/98/20/73/349982073.db2.gz RCSULRSJUXAAET-GOEBONIOSA-N 1 3 275.440 3.081 20 0 CGADHO CCCN(CC(C)C[N@H+](CCC)C1CC1)C1CC1 ZINC000605574233 348162386 /nfs/dbraw/zinc/16/23/86/348162386.db2.gz DIESLOYAZHDXGH-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CCCN(CC(C)C[N@@H+](CCC)C1CC1)C1CC1 ZINC000605574233 348162388 /nfs/dbraw/zinc/16/23/88/348162388.db2.gz DIESLOYAZHDXGH-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000624123167 349983068 /nfs/dbraw/zinc/98/30/68/349983068.db2.gz HBWYPQKZCXNSGD-APWZRJJASA-N 1 3 286.463 3.256 20 0 CGADHO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123669 349983097 /nfs/dbraw/zinc/98/30/97/349983097.db2.gz QFKLJGSKLQOHKM-WMZOPIPTSA-N 1 3 289.467 3.114 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123340 349983201 /nfs/dbraw/zinc/98/32/01/349983201.db2.gz KCZDLTLIKVRFSU-JZXOWHBKSA-N 1 3 290.451 3.084 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)N)C1)c1ccccc1 ZINC000339408236 215152095 /nfs/dbraw/zinc/15/20/95/215152095.db2.gz WJPZFUBVCSQVHK-OIISXLGYSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@@H]([C@@H](C)N)C1)c1ccccc1 ZINC000339408236 215152098 /nfs/dbraw/zinc/15/20/98/215152098.db2.gz WJPZFUBVCSQVHK-OIISXLGYSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2C[C@@H](O)C2)CC1 ZINC000624215483 350003311 /nfs/dbraw/zinc/00/33/11/350003311.db2.gz NCLYFEBUAKCUCU-FZNQNYSPSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628229738 350451552 /nfs/dbraw/zinc/45/15/52/350451552.db2.gz GUOCFZSYPZNLQU-JKSUJKDBSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353283 350514226 /nfs/dbraw/zinc/51/42/26/350514226.db2.gz PMLMULMXQRBYDT-GXTWGEPZSA-N 1 3 286.410 3.132 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000629527964 350703029 /nfs/dbraw/zinc/70/30/29/350703029.db2.gz KZANLEDPHJWEDE-ZNMIVQPWSA-N 1 3 250.430 3.220 20 0 CGADHO C[NH2+]CCOCCN[C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000629529229 350704446 /nfs/dbraw/zinc/70/44/46/350704446.db2.gz WECLCMUSLJKLHR-INIZCTEOSA-N 1 3 298.430 3.240 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccnc(-c3ccccc3)c2)C1 ZINC000629551926 350712295 /nfs/dbraw/zinc/71/22/95/350712295.db2.gz XXYXGNPFHPDGHW-DLBZAZTESA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000629407501 350688978 /nfs/dbraw/zinc/68/89/78/350688978.db2.gz BSHCOVMLIOANGL-XOYOTBSWSA-N 1 3 272.436 3.443 20 0 CGADHO Cc1ccccc1-c1cccc(CNCCOCCC[NH3+])c1 ZINC000629398335 350689019 /nfs/dbraw/zinc/68/90/19/350689019.db2.gz BLJJXULBHNANOM-UHFFFAOYSA-N 1 3 298.430 3.117 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000629407467 350689535 /nfs/dbraw/zinc/68/95/35/350689535.db2.gz AUHOINFJYVRGRQ-VGAPYMQISA-N 1 3 272.436 3.299 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514484 350700114 /nfs/dbraw/zinc/70/01/14/350700114.db2.gz MIULLZNERIBRMC-SQWLQELKSA-N 1 3 294.826 3.063 20 0 CGADHO CCc1ccc(C2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000629667344 350733261 /nfs/dbraw/zinc/73/32/61/350733261.db2.gz TYYFIKBCYCBDHK-LJQANCHMSA-N 1 3 286.463 3.428 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631576420 351074273 /nfs/dbraw/zinc/07/42/73/351074273.db2.gz AECHUKNJKOMSIF-MAUKXSAKSA-N 1 3 287.451 3.169 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1c[nH]c2ccccc12)CN(C)C ZINC000631632298 351097977 /nfs/dbraw/zinc/09/79/77/351097977.db2.gz OVYPEWCVNFNKAI-HUUCEWRRSA-N 1 3 287.451 3.276 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2ccnc3ccccc23)C1 ZINC000634732862 351578454 /nfs/dbraw/zinc/57/84/54/351578454.db2.gz QOSJBJSMWOUSJJ-OAHLLOKOSA-N 1 3 283.419 3.103 20 0 CGADHO CC(C)(Cc1ccccc1Cl)[NH2+]CC12CC(C1)CN2 ZINC000634993468 351619565 /nfs/dbraw/zinc/61/95/65/351619565.db2.gz VQNCAEGGOKXXBJ-UHFFFAOYSA-N 1 3 278.827 3.003 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CCC[C@H]1CCF)Cc1ccccc1 ZINC000635004649 351622711 /nfs/dbraw/zinc/62/27/11/351622711.db2.gz FWLUAOVQXSYFQJ-BBWFWOEESA-N 1 3 278.415 3.064 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CCCC12CCC2)Cc1ccccc1 ZINC000635009132 351627008 /nfs/dbraw/zinc/62/70/08/351627008.db2.gz TXXTULFZSNMRJU-IAGOWNOFSA-N 1 3 272.436 3.259 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000635011333 351629328 /nfs/dbraw/zinc/62/93/28/351629328.db2.gz NFUNOMZVMQRPKJ-NWDGAFQWSA-N 1 3 252.427 3.177 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000635013481 351631953 /nfs/dbraw/zinc/63/19/53/351631953.db2.gz YLECYCCCZMTUFV-RHSMWYFYSA-N 1 3 288.435 3.050 20 0 CGADHO Fc1ccc(F)c2c1CC[C@H]2NCCC[C@H]1CCC[NH2+]1 ZINC000423472550 282984980 /nfs/dbraw/zinc/98/49/80/282984980.db2.gz GAFNQBMDIAHRHK-IAQYHMDHSA-N 1 3 280.362 3.074 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000158199128 188363996 /nfs/dbraw/zinc/36/39/96/188363996.db2.gz ZWKVEXLUFHQZSS-HNNXBMFYSA-N 1 3 264.413 3.442 20 0 CGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C)cc1 ZINC000271854343 191370042 /nfs/dbraw/zinc/37/00/42/191370042.db2.gz JALHHPYZGHQXOJ-QGZVFWFLSA-N 1 3 258.409 3.298 20 0 CGADHO CCC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OC)cc1 ZINC000271863488 191376002 /nfs/dbraw/zinc/37/60/02/191376002.db2.gz KZHOSFAFJHQJCZ-GOSISDBHSA-N 1 3 288.435 3.388 20 0 CGADHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1cc(C)ccc1OC ZINC000271864737 191376827 /nfs/dbraw/zinc/37/68/27/191376827.db2.gz LECRZNNACUUHNF-QGZVFWFLSA-N 1 3 288.435 3.306 20 0 CGADHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc(C)ccc1OC ZINC000271864737 191376829 /nfs/dbraw/zinc/37/68/29/191376829.db2.gz LECRZNNACUUHNF-QGZVFWFLSA-N 1 3 288.435 3.306 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172668 235353551 /nfs/dbraw/zinc/35/35/51/235353551.db2.gz DZRZSDQSKHJTEI-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172668 235353554 /nfs/dbraw/zinc/35/35/54/235353554.db2.gz DZRZSDQSKHJTEI-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H]1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@@H](C)O1 ZINC000414255862 235374623 /nfs/dbraw/zinc/37/46/23/235374623.db2.gz COEIANRUIDVGOX-BZUAXINKSA-N 1 3 294.483 3.187 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H](C)[C@]1(C)CCCO1 ZINC000340229666 283214600 /nfs/dbraw/zinc/21/46/00/283214600.db2.gz ZLSZQCLLWBSEIK-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1COc2ccccc21 ZINC000119483298 138366901 /nfs/dbraw/zinc/36/69/01/138366901.db2.gz JCVNHKNGTWQBTC-WBVHZDCISA-N 1 3 288.435 3.017 20 0 CGADHO Cc1ccc(CN[C@H]2CCC[NH2+]CC2)c2ccccc12 ZINC000423169279 235985968 /nfs/dbraw/zinc/98/59/68/235985968.db2.gz IVEVTCNEHBJQSO-INIZCTEOSA-N 1 3 268.404 3.380 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000423293398 236027511 /nfs/dbraw/zinc/02/75/11/236027511.db2.gz RGCFGCIMWRKILJ-OLZOCXBDSA-N 1 3 270.376 3.263 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423301890 236030510 /nfs/dbraw/zinc/03/05/10/236030510.db2.gz IMGJRBSPQXEYGC-GJZGRUSLSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423301890 236030512 /nfs/dbraw/zinc/03/05/12/236030512.db2.gz IMGJRBSPQXEYGC-GJZGRUSLSA-N 1 3 298.352 3.151 20 0 CGADHO N[C@@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310730 236032987 /nfs/dbraw/zinc/03/29/87/236032987.db2.gz AWVBQOKNTWRQKS-LSDHHAIUSA-N 1 3 298.352 3.483 20 0 CGADHO N[C@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310727 236033861 /nfs/dbraw/zinc/03/38/61/236033861.db2.gz AWVBQOKNTWRQKS-CABCVRRESA-N 1 3 298.352 3.483 20 0 CGADHO N[C@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314687 236035497 /nfs/dbraw/zinc/03/54/97/236035497.db2.gz HNJCWINMMQCMGE-HUUCEWRRSA-N 1 3 264.800 3.044 20 0 CGADHO C[C@@]1(C[NH2+][C@H]2CCCC23CCCC3)CCCNC1 ZINC000423342423 236043957 /nfs/dbraw/zinc/04/39/57/236043957.db2.gz NBNAOKGYNCVQSU-LSDHHAIUSA-N 1 3 250.430 3.079 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCCC23CCCC3)CCCNC1 ZINC000423342421 236044295 /nfs/dbraw/zinc/04/42/95/236044295.db2.gz NBNAOKGYNCVQSU-GJZGRUSLSA-N 1 3 250.430 3.079 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCCNC1 ZINC000423351357 236047496 /nfs/dbraw/zinc/04/74/96/236047496.db2.gz YXUUSSBRVIKIQC-KSZLIROESA-N 1 3 272.436 3.302 20 0 CGADHO Fc1cncc([C@H](NCc2ccc3c(c2)C[NH2+]C3)C2CC2)c1 ZINC000423365289 236051624 /nfs/dbraw/zinc/05/16/24/236051624.db2.gz BAFTVHLDOUKBOM-GOSISDBHSA-N 1 3 297.377 3.065 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C2CC2)cc1 ZINC000423373775 236053689 /nfs/dbraw/zinc/05/36/89/236053689.db2.gz JNHLPCAQECPYAA-OLMNPRSZSA-N 1 3 272.436 3.046 20 0 CGADHO c1cc(C[NH2+]C(C2CCC2)C2CCC2)cc2c1CNC2 ZINC000423374981 236055322 /nfs/dbraw/zinc/05/53/22/236055322.db2.gz IMCFXDJHIQWBNP-UHFFFAOYSA-N 1 3 270.420 3.348 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423407135 236066503 /nfs/dbraw/zinc/06/65/03/236066503.db2.gz VJZXUUMBPFOQQK-DQYPLSBCSA-N 1 3 292.854 3.249 20 0 CGADHO Cc1ccc(F)c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000219569157 138493979 /nfs/dbraw/zinc/49/39/79/138493979.db2.gz HZAMHKRLCZYGIV-QGZVFWFLSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423548566 236097305 /nfs/dbraw/zinc/09/73/05/236097305.db2.gz GSYQUJMQJFKVFW-SFHVURJKSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1cc(F)c(CNCCCC[N@@H+](C)C2CC2)c(F)c1 ZINC000424179049 236129300 /nfs/dbraw/zinc/12/93/00/236129300.db2.gz YCPCFNDNPAOGOA-UHFFFAOYSA-N 1 3 282.378 3.237 20 0 CGADHO Cc1cc(F)c(CNCCCC[N@H+](C)C2CC2)c(F)c1 ZINC000424179049 236129302 /nfs/dbraw/zinc/12/93/02/236129302.db2.gz YCPCFNDNPAOGOA-UHFFFAOYSA-N 1 3 282.378 3.237 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424369693 236158543 /nfs/dbraw/zinc/15/85/43/236158543.db2.gz CBXVKUFDPHEZBG-DMRZNYOFSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424288686 236143227 /nfs/dbraw/zinc/14/32/27/236143227.db2.gz KZFNBUJPUPYJHD-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)CN(C)C ZINC000425951511 236275360 /nfs/dbraw/zinc/27/53/60/236275360.db2.gz MWVNWZGCNDRWNQ-OIISXLGYSA-N 1 3 260.425 3.110 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(F)(F)F ZINC000414279016 295969586 /nfs/dbraw/zinc/96/95/86/295969586.db2.gz IPOLGQIMRYWMKO-LLVKDONJSA-N 1 3 280.378 3.427 20 0 CGADHO NCCC[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000423195806 283433264 /nfs/dbraw/zinc/43/32/64/283433264.db2.gz TWWDZBUWIURJCM-KRWDZBQOSA-N 1 3 260.425 3.116 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2c(F)cccc2F)CCC1 ZINC000423174385 296020683 /nfs/dbraw/zinc/02/06/83/296020683.db2.gz BZKNRZPQGZAQRV-VXGBXAGGSA-N 1 3 282.378 3.102 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423174385 296020685 /nfs/dbraw/zinc/02/06/85/296020685.db2.gz BZKNRZPQGZAQRV-VXGBXAGGSA-N 1 3 282.378 3.102 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)c1 ZINC000180719048 189271954 /nfs/dbraw/zinc/27/19/54/189271954.db2.gz GYIXUKVYSFTEAX-HOCLYGCPSA-N 1 3 276.424 3.220 20 0 CGADHO CCC[C@@H]([NH2+]CCCN1CCCCC1)c1cccnc1 ZINC000184899409 189398428 /nfs/dbraw/zinc/39/84/28/189398428.db2.gz QZFGHQIIOIRGEE-QGZVFWFLSA-N 1 3 275.440 3.388 20 0 CGADHO Cc1ccc2nccc(NC3CC[NH+](C)CC3)c2c1 ZINC000302149895 201367405 /nfs/dbraw/zinc/36/74/05/201367405.db2.gz JVRWJACKRYRKHI-UHFFFAOYSA-N 1 3 255.365 3.049 20 0 CGADHO Cc1cccc(CCNC2CC([NH+]3CCCCC3)C2)c1 ZINC000449302641 239302648 /nfs/dbraw/zinc/30/26/48/239302648.db2.gz VELIUYHMVMBYPN-UHFFFAOYSA-N 1 3 272.436 3.144 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000121268953 370847265 /nfs/dbraw/zinc/84/72/65/370847265.db2.gz WOWSTLGOXCIMEP-AWEZNQCLSA-N 1 3 272.392 3.173 20 0 CGADHO CCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000423379363 283936396 /nfs/dbraw/zinc/93/63/96/283936396.db2.gz XJKLOZOUNOGDBD-MJBXVCDLSA-N 1 3 252.427 3.449 20 0 CGADHO CN1CCC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000459356460 242087295 /nfs/dbraw/zinc/08/72/95/242087295.db2.gz KTCUSYZOLFTIDE-VJANTYMQSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000459356460 242087298 /nfs/dbraw/zinc/08/72/98/242087298.db2.gz KTCUSYZOLFTIDE-VJANTYMQSA-N 1 3 284.447 3.206 20 0 CGADHO CC(C)Cc1ncc(CNCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459731221 242197485 /nfs/dbraw/zinc/19/74/85/242197485.db2.gz KYEPDYJJYWHRMD-CQSZACIVSA-N 1 3 295.496 3.163 20 0 CGADHO CC(C)Cc1ncc(CNCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459731221 242197488 /nfs/dbraw/zinc/19/74/88/242197488.db2.gz KYEPDYJJYWHRMD-CQSZACIVSA-N 1 3 295.496 3.163 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000459738055 242202575 /nfs/dbraw/zinc/20/25/75/242202575.db2.gz XIGNKXNLFRMDKS-ZFZWDLNGSA-N 1 3 276.399 3.002 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000459738055 242202578 /nfs/dbraw/zinc/20/25/78/242202578.db2.gz XIGNKXNLFRMDKS-ZFZWDLNGSA-N 1 3 276.399 3.002 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CC1(C)C ZINC000487310273 296114783 /nfs/dbraw/zinc/11/47/83/296114783.db2.gz QNCGLAKEXSNLBL-CZUORRHYSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000484466346 243314125 /nfs/dbraw/zinc/31/41/25/243314125.db2.gz KJQAAOZEWGPFRL-JKJDWNRSSA-N 1 3 252.446 3.274 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccco1 ZINC000019915045 368783647 /nfs/dbraw/zinc/78/36/47/368783647.db2.gz GFHCFKIAWWOGJJ-KBPBESRZSA-N 1 3 252.402 3.441 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000037118212 369063350 /nfs/dbraw/zinc/06/33/50/369063350.db2.gz AALHHZSPUWLIQP-LLVKDONJSA-N 1 3 284.350 3.033 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000037210976 369075962 /nfs/dbraw/zinc/07/59/62/369075962.db2.gz IUDIBYMQFIXIGK-SFHVURJKSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000037713272 369100247 /nfs/dbraw/zinc/10/02/47/369100247.db2.gz HLXNPQCYNIXGCX-HNNXBMFYSA-N 1 3 284.403 3.265 20 0 CGADHO CN(CCC[NH2+]C(C1CC1)C1CC1)C1CCCCC1 ZINC000037901110 369123804 /nfs/dbraw/zinc/12/38/04/369123804.db2.gz OFNXUOPSOHBSPJ-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CCCc1ccc([C@H](NCC2C[NH2+]C2)C(C)C)cc1 ZINC000423299063 284111317 /nfs/dbraw/zinc/11/13/17/284111317.db2.gz BAJORXBKTVFPDN-QGZVFWFLSA-N 1 3 260.425 3.145 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000494080490 244261759 /nfs/dbraw/zinc/26/17/59/244261759.db2.gz SRGAXSLWMXLEFF-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](c1ccccc1Cl)N(C)CC1CC[NH2+]CC1 ZINC000062014469 369613912 /nfs/dbraw/zinc/61/39/12/369613912.db2.gz XANMSVMFMACQEE-LBPRGKRZSA-N 1 3 266.816 3.332 20 0 CGADHO COCC[C@H]1CCC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000502697693 244657382 /nfs/dbraw/zinc/65/73/82/244657382.db2.gz PYLPCOBOEZEQSB-AEFFLSMTSA-N 1 3 296.499 3.436 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2sccc2C)CC1 ZINC000070091869 369780384 /nfs/dbraw/zinc/78/03/84/369780384.db2.gz GGLFMPKXHJZJGY-LBPRGKRZSA-N 1 3 252.427 3.191 20 0 CGADHO C[C@H](c1ccccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000070169400 369786697 /nfs/dbraw/zinc/78/66/97/369786697.db2.gz HKLRRBLWERECIP-CHWSQXEVSA-N 1 3 266.816 3.462 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000092043306 370089417 /nfs/dbraw/zinc/08/94/17/370089417.db2.gz IWVDLVMCEHLDDF-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000092043306 370089422 /nfs/dbraw/zinc/08/94/22/370089422.db2.gz IWVDLVMCEHLDDF-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000092043306 370089425 /nfs/dbraw/zinc/08/94/25/370089425.db2.gz IWVDLVMCEHLDDF-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000092043306 370089427 /nfs/dbraw/zinc/08/94/27/370089427.db2.gz IWVDLVMCEHLDDF-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1C ZINC000092043307 370090109 /nfs/dbraw/zinc/09/01/09/370090109.db2.gz IWVDLVMCEHLDDF-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1C ZINC000092043307 370090113 /nfs/dbraw/zinc/09/01/13/370090113.db2.gz IWVDLVMCEHLDDF-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000092043307 370090116 /nfs/dbraw/zinc/09/01/16/370090116.db2.gz IWVDLVMCEHLDDF-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000092043307 370090120 /nfs/dbraw/zinc/09/01/20/370090120.db2.gz IWVDLVMCEHLDDF-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO CC(C)c1ncc(CN(C)CC2CC[NH+](C)CC2)s1 ZINC000093088673 370108171 /nfs/dbraw/zinc/10/81/71/370108171.db2.gz HSEANEAPSWMFHN-UHFFFAOYSA-N 1 3 281.469 3.040 20 0 CGADHO CN(Cc1ccc(F)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000093088825 370108211 /nfs/dbraw/zinc/10/82/11/370108211.db2.gz IGTJUYFELVZLOQ-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000093088825 370108215 /nfs/dbraw/zinc/10/82/15/370108215.db2.gz IGTJUYFELVZLOQ-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000093088825 370108218 /nfs/dbraw/zinc/10/82/18/370108218.db2.gz IGTJUYFELVZLOQ-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)CN1CCCC1 ZINC000219627186 376201259 /nfs/dbraw/zinc/20/12/59/376201259.db2.gz XEVBHHSDAWKWPL-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580688 370993659 /nfs/dbraw/zinc/99/36/59/370993659.db2.gz PMPWWEDNFZUPIF-XUJVJEKNSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580688 370993663 /nfs/dbraw/zinc/99/36/63/370993663.db2.gz PMPWWEDNFZUPIF-XUJVJEKNSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129719968 370997540 /nfs/dbraw/zinc/99/75/40/370997540.db2.gz VZJCGQFUQPMVAJ-DLTWYDFYSA-N 1 3 292.492 3.486 20 0 CGADHO C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129719968 370997544 /nfs/dbraw/zinc/99/75/44/370997544.db2.gz VZJCGQFUQPMVAJ-DLTWYDFYSA-N 1 3 292.492 3.486 20 0 CGADHO COc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000132214996 371158968 /nfs/dbraw/zinc/15/89/68/371158968.db2.gz MWLDMZYSKCCDMF-UONOGXRCSA-N 1 3 284.403 3.018 20 0 CGADHO CC(C)[C@@H](CN[C@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134137421 371305919 /nfs/dbraw/zinc/30/59/19/371305919.db2.gz VIYPOVHUTYFECD-CRAIPNDOSA-N 1 3 292.442 3.467 20 0 CGADHO CC[C@H](C[NH2+]CCCN1CCCC1)c1ccccc1 ZINC000135611082 371440525 /nfs/dbraw/zinc/44/05/25/371440525.db2.gz KPGRAWPPPTVHHY-MRXNPFEDSA-N 1 3 260.425 3.256 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CC2)CC1 ZINC000149524781 371529044 /nfs/dbraw/zinc/52/90/44/371529044.db2.gz HMKXMIPLOQHKIQ-BBRMVZONSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2CC2)CC1 ZINC000149524781 371529052 /nfs/dbraw/zinc/52/90/52/371529052.db2.gz HMKXMIPLOQHKIQ-BBRMVZONSA-N 1 3 250.430 3.029 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(C)c2)C1 ZINC000151139258 371574065 /nfs/dbraw/zinc/57/40/65/371574065.db2.gz VENVBUKZZVTCEU-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(C)c2)C1 ZINC000151139258 371574070 /nfs/dbraw/zinc/57/40/70/371574070.db2.gz VENVBUKZZVTCEU-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000151139258 371574078 /nfs/dbraw/zinc/57/40/78/371574078.db2.gz VENVBUKZZVTCEU-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl)CN(C)C ZINC000421851108 371674149 /nfs/dbraw/zinc/67/41/49/371674149.db2.gz FIMPUZNNHAVHDU-RYUDHWBXSA-N 1 3 286.822 3.197 20 0 CGADHO C[C@@H](CN[C@@H](C)Cc1ccc(F)cc1Cl)C[NH+](C)C ZINC000421851108 371674154 /nfs/dbraw/zinc/67/41/54/371674154.db2.gz FIMPUZNNHAVHDU-RYUDHWBXSA-N 1 3 286.822 3.197 20 0 CGADHO c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000152240570 371683365 /nfs/dbraw/zinc/68/33/65/371683365.db2.gz YWWFPZWUNPONNX-INIZCTEOSA-N 1 3 274.408 3.121 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419213 371694567 /nfs/dbraw/zinc/69/45/67/371694567.db2.gz WZIPCUWQPSDSFP-WDEREUQCSA-N 1 3 298.352 3.239 20 0 CGADHO NC1(C[NH2+]Cc2cccc(C3CC3)c2)CCCCC1 ZINC000422552608 371748268 /nfs/dbraw/zinc/74/82/68/371748268.db2.gz HRUWHBKTRQLXOE-UHFFFAOYSA-N 1 3 258.409 3.315 20 0 CGADHO CSc1ccccc1CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422626026 371754455 /nfs/dbraw/zinc/75/44/55/371754455.db2.gz DBLKXLNXKCUFPZ-IPYPFGDCSA-N 1 3 278.465 3.214 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699548 371756612 /nfs/dbraw/zinc/75/66/12/371756612.db2.gz DPLSSGCUIOXNSQ-CJNGLKHVSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699548 371756618 /nfs/dbraw/zinc/75/66/18/371756618.db2.gz DPLSSGCUIOXNSQ-CJNGLKHVSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCSc1ccc(Cl)cc1 ZINC000422762518 371792173 /nfs/dbraw/zinc/79/21/73/371792173.db2.gz IGBBIZSGJKJZAP-MNOVXSKESA-N 1 3 272.845 3.148 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(Cl)cc1Cl ZINC000422725525 371769952 /nfs/dbraw/zinc/76/99/52/371769952.db2.gz BPSHNXKBMIYCBT-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725525 371769957 /nfs/dbraw/zinc/76/99/57/371769957.db2.gz BPSHNXKBMIYCBT-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[NH2+]CC[C@H]3C)cc2c1C ZINC000422726220 371770007 /nfs/dbraw/zinc/77/00/07/371770007.db2.gz ZJIVYSPBWRRCSY-PXAZEXFGSA-N 1 3 285.435 3.262 20 0 CGADHO CC[C@H](N[C@H](CCC[NH3+])COC)c1ccc(Cl)s1 ZINC000422733158 371772962 /nfs/dbraw/zinc/77/29/62/371772962.db2.gz QRJYRCUVIVOULF-MNOVXSKESA-N 1 3 290.860 3.196 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000422738382 371777590 /nfs/dbraw/zinc/77/75/90/371777590.db2.gz JQFFQBVBQPDDLT-CHWSQXEVSA-N 1 3 266.454 3.003 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000422745521 371779416 /nfs/dbraw/zinc/77/94/16/371779416.db2.gz VIVFDIRWSGXEQT-PBHICJAKSA-N 1 3 285.435 3.310 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000422755303 371787996 /nfs/dbraw/zinc/78/79/96/371787996.db2.gz GQDNPYAZYPEATA-KCQAQPDRSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@@H](NCC(c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422766860 371795286 /nfs/dbraw/zinc/79/52/86/371795286.db2.gz XUYUUJYFFCXQLW-OAHLLOKOSA-N 1 3 280.415 3.016 20 0 CGADHO C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C1CNC1 ZINC000422766860 371795292 /nfs/dbraw/zinc/79/52/92/371795292.db2.gz XUYUUJYFFCXQLW-OAHLLOKOSA-N 1 3 280.415 3.016 20 0 CGADHO CC(C)c1ccc(CCCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422771748 371796334 /nfs/dbraw/zinc/79/63/34/371796334.db2.gz YMVDQPHVAYTQGU-IRXDYDNUSA-N 1 3 260.425 3.212 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422773214 371797477 /nfs/dbraw/zinc/79/74/77/371797477.db2.gz ZMBHGHSOAFEHDM-BBRMVZONSA-N 1 3 296.455 3.415 20 0 CGADHO COc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1C ZINC000422772131 371797576 /nfs/dbraw/zinc/79/75/76/371797576.db2.gz YUXHZHDZAGJOOQ-ZDUSSCGKSA-N 1 3 299.418 3.017 20 0 CGADHO Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422778981 371800500 /nfs/dbraw/zinc/80/05/00/371800500.db2.gz BISBZLPMHUHLDK-NIKGAXFTSA-N 1 3 296.414 3.497 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422778679 371801184 /nfs/dbraw/zinc/80/11/84/371801184.db2.gz HWXUZBSNVVKSKQ-IHRRRGAJSA-N 1 3 264.413 3.252 20 0 CGADHO CO[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422779775 371801914 /nfs/dbraw/zinc/80/19/14/371801914.db2.gz GNGBTLLRWSFONB-CWRNSKLLSA-N 1 3 296.842 3.135 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422780649 371803596 /nfs/dbraw/zinc/80/35/96/371803596.db2.gz JQVKZIZVADONHA-HYVNUMGLSA-N 1 3 260.425 3.206 20 0 CGADHO CC(C)[C@@H](N[C@H](C)C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000422790853 371811383 /nfs/dbraw/zinc/81/13/83/371811383.db2.gz UJOHCVDXBWPSER-YWPYICTPSA-N 1 3 252.377 3.238 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@H]2CCNCC[C@@H]2C)c1 ZINC000422791096 371811509 /nfs/dbraw/zinc/81/15/09/371811509.db2.gz YDUUQDRALSPVCG-RDJZCZTQSA-N 1 3 274.452 3.250 20 0 CGADHO COc1ccc2cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc2c1 ZINC000422794438 371812511 /nfs/dbraw/zinc/81/25/11/371812511.db2.gz GPGIWIDQOGCKCV-STQMWFEESA-N 1 3 272.392 3.064 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000422799488 371817910 /nfs/dbraw/zinc/81/79/10/371817910.db2.gz WYJQQACACJGUSQ-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1ccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422812555 371824381 /nfs/dbraw/zinc/82/43/81/371824381.db2.gz QRMVRADKQFSRSX-DLBZAZTESA-N 1 3 258.409 3.178 20 0 CGADHO COc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])c(Cl)c1 ZINC000422886434 371853056 /nfs/dbraw/zinc/85/30/56/371853056.db2.gz IZHNFRREWGFNOW-CVEARBPZSA-N 1 3 296.842 3.141 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(OCc2ccccc2)c1 ZINC000422894109 371858185 /nfs/dbraw/zinc/85/81/85/371858185.db2.gz SAVUABFMSRIWOJ-HOTGVXAUSA-N 1 3 298.430 3.481 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc3sccc3c2)CC[N@@H+]1C ZINC000289947476 371858883 /nfs/dbraw/zinc/85/88/83/371858883.db2.gz WFOLLLABHHVTIQ-IUODEOHRSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947476 371858890 /nfs/dbraw/zinc/85/88/90/371858890.db2.gz WFOLLLABHHVTIQ-IUODEOHRSA-N 1 3 274.433 3.474 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422899681 371861484 /nfs/dbraw/zinc/86/14/84/371861484.db2.gz ICDXNCIXKWAPFI-WFASDCNBSA-N 1 3 290.382 3.487 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000422915319 371865033 /nfs/dbraw/zinc/86/50/33/371865033.db2.gz ATXNPNPPJCFTJV-FZKCQIBNSA-N 1 3 250.430 3.062 20 0 CGADHO CC(C)(CNC1CC[NH2+]CC1)c1c(F)cccc1Cl ZINC000422917903 371867902 /nfs/dbraw/zinc/86/79/02/371867902.db2.gz GASGFHLFLPWDND-UHFFFAOYSA-N 1 3 284.806 3.098 20 0 CGADHO CC(C)(C[NH2+]C1CCNCC1)c1c(F)cccc1Cl ZINC000422917903 371867910 /nfs/dbraw/zinc/86/79/10/371867910.db2.gz GASGFHLFLPWDND-UHFFFAOYSA-N 1 3 284.806 3.098 20 0 CGADHO CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422919770 371870469 /nfs/dbraw/zinc/87/04/69/371870469.db2.gz KPBGMXOBYDHVRD-RNJTYBCJSA-N 1 3 288.435 3.172 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948497 371886329 /nfs/dbraw/zinc/88/63/29/371886329.db2.gz SAHDAXXBJMGFBH-KGLIPLIRSA-N 1 3 284.350 3.038 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(Cl)c1 ZINC000422922905 371872161 /nfs/dbraw/zinc/87/21/61/371872161.db2.gz RDWPLXGCOYZTBU-XJKCOSOUSA-N 1 3 296.842 3.085 20 0 CGADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(C)c1 ZINC000422924146 371873842 /nfs/dbraw/zinc/87/38/42/371873842.db2.gz XVLDWHKFDPXBIQ-LZLYRXPVSA-N 1 3 290.451 3.130 20 0 CGADHO C[C@H](Cc1ccccc1Br)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422928241 371875094 /nfs/dbraw/zinc/87/50/94/371875094.db2.gz JQOMVHOICLTLRT-SDDRHHMPSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)C[C@H](C)N ZINC000422928241 371875099 /nfs/dbraw/zinc/87/50/99/371875099.db2.gz JQOMVHOICLTLRT-SDDRHHMPSA-N 1 3 299.256 3.096 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932728 371877646 /nfs/dbraw/zinc/87/76/46/371877646.db2.gz GNWPGLCHIQTLIH-MSOLQXFVSA-N 1 3 296.414 3.202 20 0 CGADHO Cc1cccc(C)c1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422933761 371879765 /nfs/dbraw/zinc/87/97/65/371879765.db2.gz DRZXWUVZQRJFDW-OAHLLOKOSA-N 1 3 297.446 3.359 20 0 CGADHO COc1cccc(CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422944249 371883439 /nfs/dbraw/zinc/88/34/39/371883439.db2.gz LDSHURKWZVRDHJ-OALUTQOASA-N 1 3 296.414 3.362 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423061352 371942066 /nfs/dbraw/zinc/94/20/66/371942066.db2.gz KKPBZYYCVBWXNJ-NVXWUHKLSA-N 1 3 278.415 3.256 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1F ZINC000422958998 371893901 /nfs/dbraw/zinc/89/39/01/371893901.db2.gz QFOJKIABTJGZHH-NUEKZKHPSA-N 1 3 294.389 3.018 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422974413 371896607 /nfs/dbraw/zinc/89/66/07/371896607.db2.gz FAGHZNGKSIXUNW-BBWFWOEESA-N 1 3 284.488 3.074 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCC(F)(F)C1 ZINC000422988665 371903435 /nfs/dbraw/zinc/90/34/35/371903435.db2.gz JRLRLGWYUUGYBM-CFVMTHIKSA-N 1 3 282.378 3.112 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCC[C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000422991378 371905402 /nfs/dbraw/zinc/90/54/02/371905402.db2.gz POEKRWDOBPFTOD-ZSGPHXLJSA-N 1 3 288.435 3.052 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCC(F)(F)C1 ZINC000422994148 371906163 /nfs/dbraw/zinc/90/61/63/371906163.db2.gz UQQMSVWKEOUDTD-RDBSUJKOSA-N 1 3 274.399 3.465 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423020575 371918604 /nfs/dbraw/zinc/91/86/04/371918604.db2.gz CANLTWYKYHBRLO-NHYWBVRUSA-N 1 3 296.817 3.228 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423020575 371918611 /nfs/dbraw/zinc/91/86/11/371918611.db2.gz CANLTWYKYHBRLO-NHYWBVRUSA-N 1 3 296.817 3.228 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423033979 371926535 /nfs/dbraw/zinc/92/65/35/371926535.db2.gz ZZMHWXTUGGVBKJ-GHMZBOCLSA-N 1 3 284.806 3.226 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033979 371926540 /nfs/dbraw/zinc/92/65/40/371926540.db2.gz ZZMHWXTUGGVBKJ-GHMZBOCLSA-N 1 3 284.806 3.226 20 0 CGADHO CC(C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290201800 371932498 /nfs/dbraw/zinc/93/24/98/371932498.db2.gz PEVHFNAVHQFHNA-QGZVFWFLSA-N 1 3 260.425 3.287 20 0 CGADHO CSc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000423103097 371964904 /nfs/dbraw/zinc/96/49/04/371964904.db2.gz XNPCTLAINJASLK-ZBFHGGJFSA-N 1 3 278.465 3.058 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000423101647 371965428 /nfs/dbraw/zinc/96/54/28/371965428.db2.gz NTOYQZJYHXHUSS-OVWQWFNUSA-N 1 3 272.436 3.219 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423101647 371965433 /nfs/dbraw/zinc/96/54/33/371965433.db2.gz NTOYQZJYHXHUSS-OVWQWFNUSA-N 1 3 272.436 3.219 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106542 371970209 /nfs/dbraw/zinc/97/02/09/371970209.db2.gz ZZHKJVXWXUKYLH-WJNVRWDZSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106542 371970215 /nfs/dbraw/zinc/97/02/15/371970215.db2.gz ZZHKJVXWXUKYLH-WJNVRWDZSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000423117213 371974805 /nfs/dbraw/zinc/97/48/05/371974805.db2.gz UHFJFMAITNZLFX-REWJHTLYSA-N 1 3 290.398 3.047 20 0 CGADHO c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000423126871 371978476 /nfs/dbraw/zinc/97/84/76/371978476.db2.gz JFGLPYMULOLFCJ-UJJTZGENSA-N 1 3 270.420 3.053 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cc2ccccc2s1 ZINC000423126960 371981221 /nfs/dbraw/zinc/98/12/21/371981221.db2.gz BIRTZRUURLFXDZ-XJKSGUPXSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423126960 371981226 /nfs/dbraw/zinc/98/12/26/371981226.db2.gz BIRTZRUURLFXDZ-XJKSGUPXSA-N 1 3 288.460 3.422 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423132035 371982566 /nfs/dbraw/zinc/98/25/66/371982566.db2.gz ISSRTRJTUKRCKM-DZGCQCFKSA-N 1 3 274.433 3.161 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1cc2ccccc2s1 ZINC000423132035 371982569 /nfs/dbraw/zinc/98/25/69/371982569.db2.gz ISSRTRJTUKRCKM-DZGCQCFKSA-N 1 3 274.433 3.161 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1nccn1-c1ccccc1 ZINC000423134097 371985295 /nfs/dbraw/zinc/98/52/95/371985295.db2.gz WKQHFHFXNVCCHH-GJZGRUSLSA-N 1 3 286.423 3.040 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423170669 372002795 /nfs/dbraw/zinc/00/27/95/372002795.db2.gz MQZJYIXDQPXKHW-GDBMZVCRSA-N 1 3 292.854 3.380 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423144391 371990855 /nfs/dbraw/zinc/99/08/55/371990855.db2.gz GUCNSLXJNTVUCZ-WFGGJUAMSA-N 1 3 278.827 3.303 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)CC1CCOCC1 ZINC000423146900 371991141 /nfs/dbraw/zinc/99/11/41/371991141.db2.gz QKVPURRZHBANDX-KURKYZTESA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3CN)CC2)c(C)c1 ZINC000423144695 371991211 /nfs/dbraw/zinc/99/12/11/371991211.db2.gz HRLCEOWFPPSRSK-NVXWUHKLSA-N 1 3 272.436 3.052 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000423145419 371991243 /nfs/dbraw/zinc/99/12/43/371991243.db2.gz KPKSPJZYTVKJJJ-YPMHNXCESA-N 1 3 297.393 3.325 20 0 CGADHO Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000423148220 371992222 /nfs/dbraw/zinc/99/22/22/371992222.db2.gz FJRYQHISUGVFHW-QZTJIDSGSA-N 1 3 284.378 3.411 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423070139 371945696 /nfs/dbraw/zinc/94/56/96/371945696.db2.gz MVXIDBMINFDIHM-OUAUKWLOSA-N 1 3 274.330 3.482 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC2CCC3(CC3)CC2)c2ccccc21 ZINC000423074180 371948276 /nfs/dbraw/zinc/94/82/76/371948276.db2.gz KWZBFWWWDOWHQU-HZPDHXFCSA-N 1 3 256.393 3.444 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)Cc1ccccc1 ZINC000423076582 371950620 /nfs/dbraw/zinc/95/06/20/371950620.db2.gz ZIKLGIWJYHGHBR-YQQAZPJKSA-N 1 3 262.441 3.217 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3CN)CCC2)cc1C ZINC000423085225 371953979 /nfs/dbraw/zinc/95/39/79/371953979.db2.gz JKSLLRMMYZESNE-AEFFLSMTSA-N 1 3 286.463 3.442 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCCCC1 ZINC000423202047 372027016 /nfs/dbraw/zinc/02/70/16/372027016.db2.gz AIAZBWGIXGOAIS-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO c1cc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc2c1CNC2 ZINC000423406099 372060543 /nfs/dbraw/zinc/06/05/43/372060543.db2.gz YMRNKVISXHUCAX-YJBOKZPZSA-N 1 3 270.420 3.348 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000423398153 372060806 /nfs/dbraw/zinc/06/08/06/372060806.db2.gz UAZOZHIVGAEOEN-VNHYZAJKSA-N 1 3 264.800 3.187 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCNC[C@H]2C)C(C)C)cc1 ZINC000423396466 372060862 /nfs/dbraw/zinc/06/08/62/372060862.db2.gz NVXXDBNMCRFJFE-NJAFHUGGSA-N 1 3 274.452 3.150 20 0 CGADHO NC1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CCC1 ZINC000423339094 372053962 /nfs/dbraw/zinc/05/39/62/372053962.db2.gz WKUPPBNJCZJDND-AWEZNQCLSA-N 1 3 264.800 3.188 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423365165 372055054 /nfs/dbraw/zinc/05/50/54/372055054.db2.gz PGYITXGWPFHSMK-ORQFMDKSSA-N 1 3 287.451 3.004 20 0 CGADHO C[C@H](NCCC[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000423177794 372006770 /nfs/dbraw/zinc/00/67/70/372006770.db2.gz JMVAKCVLQQJUQC-HNNXBMFYSA-N 1 3 284.403 3.265 20 0 CGADHO CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCC[NH3+] ZINC000423182440 372011184 /nfs/dbraw/zinc/01/11/84/372011184.db2.gz KIOJIGKSUSJZHV-ZDUSSCGKSA-N 1 3 289.250 3.499 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000423503631 372070691 /nfs/dbraw/zinc/07/06/91/372070691.db2.gz FZHBOIZHIIFSLJ-CADBVGFASA-N 1 3 284.447 3.300 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252217 217119731 /nfs/dbraw/zinc/11/97/31/217119731.db2.gz BASQPKBRPDNUGO-BEFAXECRSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252217 217119734 /nfs/dbraw/zinc/11/97/34/217119734.db2.gz BASQPKBRPDNUGO-BEFAXECRSA-N 1 3 295.430 3.178 20 0 CGADHO CC[NH2+]CC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000430577589 372389834 /nfs/dbraw/zinc/38/98/34/372389834.db2.gz CNCNCAXWIJADBM-QGZVFWFLSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H]1CCC[C@@H](C[NH2+]CC2=CCN(C)CC2)C1 ZINC000344345531 217160464 /nfs/dbraw/zinc/16/04/64/217160464.db2.gz FAQPWTAPRYVHNP-GOEBONIOSA-N 1 3 250.430 3.054 20 0 CGADHO C[C@@H]1CN(CCCSc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000430929956 372406762 /nfs/dbraw/zinc/40/67/62/372406762.db2.gz YRWSIKGZTUHTKO-OCCSQVGLSA-N 1 3 298.883 3.491 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCS1 ZINC000168656919 372614926 /nfs/dbraw/zinc/61/49/26/372614926.db2.gz FVUROOAFVNPAHN-INIZCTEOSA-N 1 3 282.497 3.269 20 0 CGADHO C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCS1 ZINC000168656919 372614936 /nfs/dbraw/zinc/61/49/36/372614936.db2.gz FVUROOAFVNPAHN-INIZCTEOSA-N 1 3 282.497 3.269 20 0 CGADHO CC(C)COc1cccc(C[N@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000434176580 372660594 /nfs/dbraw/zinc/66/05/94/372660594.db2.gz FZJIJEWLBMYDFE-QGZVFWFLSA-N 1 3 290.451 3.105 20 0 CGADHO CC(C)COc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000434176580 372660595 /nfs/dbraw/zinc/66/05/95/372660595.db2.gz FZJIJEWLBMYDFE-QGZVFWFLSA-N 1 3 290.451 3.105 20 0 CGADHO CCN(Cc1cc(C)sc1C)[C@H]1CCC[NH2+]CC1 ZINC000435396570 372760605 /nfs/dbraw/zinc/76/06/05/372760605.db2.gz ZJVHFYQVCKJQJE-HNNXBMFYSA-N 1 3 266.454 3.329 20 0 CGADHO C[NH2+]CCCN1CCCC[C@H]1c1cccc(C)c1C ZINC000435882255 372822684 /nfs/dbraw/zinc/82/26/84/372822684.db2.gz XQTGXVHZDUTKNA-KRWDZBQOSA-N 1 3 260.425 3.440 20 0 CGADHO CNCCC[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000435882255 372822691 /nfs/dbraw/zinc/82/26/91/372822691.db2.gz XQTGXVHZDUTKNA-KRWDZBQOSA-N 1 3 260.425 3.440 20 0 CGADHO CNCCC[N@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000435882255 372822700 /nfs/dbraw/zinc/82/27/00/372822700.db2.gz XQTGXVHZDUTKNA-KRWDZBQOSA-N 1 3 260.425 3.440 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCc2cccc3cnccc32)C1 ZINC000061125443 541882725 /nfs/dbraw/zinc/88/27/25/541882725.db2.gz MBFZFRYIWWNZIV-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCc2cccc3cnccc32)C1 ZINC000061125443 541882728 /nfs/dbraw/zinc/88/27/28/541882728.db2.gz MBFZFRYIWWNZIV-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125443 541882731 /nfs/dbraw/zinc/88/27/31/541882731.db2.gz MBFZFRYIWWNZIV-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000296365533 373106174 /nfs/dbraw/zinc/10/61/74/373106174.db2.gz IFZYKNPHSBYYAE-GOEBONIOSA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000296365533 373106181 /nfs/dbraw/zinc/10/61/81/373106181.db2.gz IFZYKNPHSBYYAE-GOEBONIOSA-N 1 3 296.480 3.290 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442761192 373072319 /nfs/dbraw/zinc/07/23/19/373072319.db2.gz BRGJEXMNYVQKLH-HSBZDZAISA-N 1 3 274.399 3.132 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000443652338 373161031 /nfs/dbraw/zinc/16/10/31/373161031.db2.gz GDIZRZREWPSDHY-KSZLIROESA-N 1 3 276.468 3.397 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000443652338 373161040 /nfs/dbraw/zinc/16/10/40/373161040.db2.gz GDIZRZREWPSDHY-KSZLIROESA-N 1 3 276.468 3.397 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442889760 373123094 /nfs/dbraw/zinc/12/30/94/373123094.db2.gz LMHGUMJKWDHALX-DLBZAZTESA-N 1 3 297.531 3.063 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000296441448 373135042 /nfs/dbraw/zinc/13/50/42/373135042.db2.gz NVGOYRKQNBRUMR-RVKKMQEKSA-N 1 3 290.451 3.184 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000449171928 373668104 /nfs/dbraw/zinc/66/81/04/373668104.db2.gz LGEMNHBTTDEDRL-QDIHITRGSA-N 1 3 284.513 3.371 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000449477865 373764940 /nfs/dbraw/zinc/76/49/40/373764940.db2.gz QJHMWEAGHTVLQO-RYQLBKOJSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000449477865 373764947 /nfs/dbraw/zinc/76/49/47/373764947.db2.gz QJHMWEAGHTVLQO-RYQLBKOJSA-N 1 3 296.499 3.434 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(OC)cc1 ZINC000179241089 373849453 /nfs/dbraw/zinc/84/94/53/373849453.db2.gz OALYKRAJJVRVEN-UHFFFAOYSA-N 1 3 276.424 3.003 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(OC)cc1 ZINC000179241089 373849459 /nfs/dbraw/zinc/84/94/59/373849459.db2.gz OALYKRAJJVRVEN-UHFFFAOYSA-N 1 3 276.424 3.003 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)C1(C)C ZINC000181439021 374122864 /nfs/dbraw/zinc/12/28/64/374122864.db2.gz PPEFZEYYWDQDLK-SJORKVTESA-N 1 3 290.451 3.041 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450449602 374137057 /nfs/dbraw/zinc/13/70/57/374137057.db2.gz FPBZOKNYBDPWLH-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450449602 374137063 /nfs/dbraw/zinc/13/70/63/374137063.db2.gz FPBZOKNYBDPWLH-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450462535 374146045 /nfs/dbraw/zinc/14/60/45/374146045.db2.gz HEXJMMLWLJIHHX-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450462535 374146056 /nfs/dbraw/zinc/14/60/56/374146056.db2.gz HEXJMMLWLJIHHX-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462535 374146062 /nfs/dbraw/zinc/14/60/62/374146062.db2.gz HEXJMMLWLJIHHX-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462535 374146069 /nfs/dbraw/zinc/14/60/69/374146069.db2.gz HEXJMMLWLJIHHX-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO C[C@@H](NCc1ccn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309748478 374195030 /nfs/dbraw/zinc/19/50/30/374195030.db2.gz YQISBGBCXQMUHD-APWZRJJASA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H](NCc1ccn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748478 374195039 /nfs/dbraw/zinc/19/50/39/374195039.db2.gz YQISBGBCXQMUHD-APWZRJJASA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H]([NH2+]Cc1ccn(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309748478 374195049 /nfs/dbraw/zinc/19/50/49/374195049.db2.gz YQISBGBCXQMUHD-APWZRJJASA-N 1 3 297.446 3.025 20 0 CGADHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1C ZINC000311819559 374257573 /nfs/dbraw/zinc/25/75/73/374257573.db2.gz MYRXQWYOCRZPTR-MLGOLLRUSA-N 1 3 262.441 3.460 20 0 CGADHO Cc1cc(C)c([C@@H](C)NC[C@@H](C)C[NH+](C)C)cc1C ZINC000311819559 374257579 /nfs/dbraw/zinc/25/75/79/374257579.db2.gz MYRXQWYOCRZPTR-MLGOLLRUSA-N 1 3 262.441 3.460 20 0 CGADHO C[NH+]1CCC(CCNCc2ccsc2Cl)CC1 ZINC000312548547 374281729 /nfs/dbraw/zinc/28/17/29/374281729.db2.gz AREIGEPIEMHZRL-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO C1CC1[C@@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000453059084 374363433 /nfs/dbraw/zinc/36/34/33/374363433.db2.gz HZBRBRYBIKFULW-ULQDDVLXSA-N 1 3 262.441 3.172 20 0 CGADHO C(C[NH2+][C@@H]1CCCC12CCCC2)CN1CCCC1 ZINC000328254414 374363670 /nfs/dbraw/zinc/36/36/70/374363670.db2.gz JVKMFLHJUZLGMP-OAHLLOKOSA-N 1 3 250.430 3.175 20 0 CGADHO COc1ccccc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000183950624 374475458 /nfs/dbraw/zinc/47/54/58/374475458.db2.gz XEXGQJWJLICVLN-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000090856520 541965396 /nfs/dbraw/zinc/96/53/96/541965396.db2.gz BOJLPJCKQMUYDB-LSDHHAIUSA-N 1 3 290.451 3.466 20 0 CGADHO F[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000334329223 374670299 /nfs/dbraw/zinc/67/02/99/374670299.db2.gz NRCMSOSSEVNBJI-HIFRSBDPSA-N 1 3 268.420 3.264 20 0 CGADHO F[C@@H]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000334329223 374670304 /nfs/dbraw/zinc/67/03/04/374670304.db2.gz NRCMSOSSEVNBJI-HIFRSBDPSA-N 1 3 268.420 3.264 20 0 CGADHO CCN(CCc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000472747886 375031797 /nfs/dbraw/zinc/03/17/97/375031797.db2.gz JQYPWWPADRADCN-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO CCN(CCc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000472747886 375031805 /nfs/dbraw/zinc/03/18/05/375031805.db2.gz JQYPWWPADRADCN-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335017831 375073933 /nfs/dbraw/zinc/07/39/33/375073933.db2.gz NWIVUSYSEPCUPV-WBVHZDCISA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126015 375129690 /nfs/dbraw/zinc/12/96/90/375129690.db2.gz YXUUYAYHKKBSOP-HZPDHXFCSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126015 375129699 /nfs/dbraw/zinc/12/96/99/375129699.db2.gz YXUUYAYHKKBSOP-HZPDHXFCSA-N 1 3 264.457 3.373 20 0 CGADHO CCSCC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000482136415 375168211 /nfs/dbraw/zinc/16/82/11/375168211.db2.gz PUPJZZQHXIDAAG-HUUCEWRRSA-N 1 3 272.502 3.230 20 0 CGADHO CCSCCN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482136415 375168216 /nfs/dbraw/zinc/16/82/16/375168216.db2.gz PUPJZZQHXIDAAG-HUUCEWRRSA-N 1 3 272.502 3.230 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189080095 375322445 /nfs/dbraw/zinc/32/24/45/375322445.db2.gz PCTGEVFIESGASP-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335757348 375404666 /nfs/dbraw/zinc/40/46/66/375404666.db2.gz IRIKNSIHYJTGGC-WMLDXEAASA-N 1 3 283.419 3.116 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335757348 375404672 /nfs/dbraw/zinc/40/46/72/375404672.db2.gz IRIKNSIHYJTGGC-WMLDXEAASA-N 1 3 283.419 3.116 20 0 CGADHO CC[NH+](CC)Cc1ccc(NC2CCN(C)CC2)cc1 ZINC000191584590 375642049 /nfs/dbraw/zinc/64/20/49/375642049.db2.gz OXVMBNOMCGOMPA-UHFFFAOYSA-N 1 3 275.440 3.035 20 0 CGADHO CC(CN1CCCC[C@H]1C)C[N@@H+]1CCCC[C@H]1C ZINC000510261808 375785053 /nfs/dbraw/zinc/78/50/53/375785053.db2.gz QJULSJRBKVGBMS-HZPDHXFCSA-N 1 3 252.446 3.371 20 0 CGADHO CC(CN1CCCC[C@H]1C)C[N@H+]1CCCC[C@H]1C ZINC000510261808 375785056 /nfs/dbraw/zinc/78/50/56/375785056.db2.gz QJULSJRBKVGBMS-HZPDHXFCSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128530229 542052540 /nfs/dbraw/zinc/05/25/40/542052540.db2.gz UCDUTTTVBZEOBC-LBPRGKRZSA-N 1 3 252.446 3.464 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000516258510 375819539 /nfs/dbraw/zinc/81/95/39/375819539.db2.gz ABUCCNMOKSAKPD-KGLIPLIRSA-N 1 3 252.446 3.181 20 0 CGADHO CSCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000193327424 375861662 /nfs/dbraw/zinc/86/16/62/375861662.db2.gz RGFSJMCBAHXKQG-ALOPSCKCSA-N 1 3 290.476 3.264 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNCCSCc2ccccc2)C1 ZINC000193903746 375938324 /nfs/dbraw/zinc/93/83/24/375938324.db2.gz YESSMPITCIETFE-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNCCSCc2ccccc2)C1 ZINC000193903746 375938331 /nfs/dbraw/zinc/93/83/31/375938331.db2.gz YESSMPITCIETFE-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193903746 375938337 /nfs/dbraw/zinc/93/83/37/375938337.db2.gz YESSMPITCIETFE-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000212707201 376136786 /nfs/dbraw/zinc/13/67/86/376136786.db2.gz ZWTMROSYOTZODY-NWDGAFQWSA-N 1 3 284.806 3.472 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000536853024 376137740 /nfs/dbraw/zinc/13/77/40/376137740.db2.gz TXKNUQNCJIKSSH-BBRMVZONSA-N 1 3 292.492 3.447 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@@H](C)C1 ZINC000536853024 376137747 /nfs/dbraw/zinc/13/77/47/376137747.db2.gz TXKNUQNCJIKSSH-BBRMVZONSA-N 1 3 292.492 3.447 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000221919060 376223871 /nfs/dbraw/zinc/22/38/71/376223871.db2.gz XSPSBASYZBBISA-AWEZNQCLSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@@H](C)Cc1ccc(F)cc1 ZINC000221919060 376223875 /nfs/dbraw/zinc/22/38/75/376223875.db2.gz XSPSBASYZBBISA-AWEZNQCLSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@@H](C)Cc1ccc(F)cc1 ZINC000221919060 376223878 /nfs/dbraw/zinc/22/38/78/376223878.db2.gz XSPSBASYZBBISA-AWEZNQCLSA-N 1 3 266.404 3.077 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN(C)C(C)C ZINC000221924980 376225256 /nfs/dbraw/zinc/22/52/56/376225256.db2.gz WXYIDVPWIGYDBS-SFHVURJKSA-N 1 3 290.451 3.393 20 0 CGADHO CCCN(Cc1ccc(C)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226434884 376359430 /nfs/dbraw/zinc/35/94/30/376359430.db2.gz GINFKKILUUVAAS-KRWDZBQOSA-N 1 3 260.425 3.207 20 0 CGADHO CCC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCCNC1 ZINC000226434884 376359437 /nfs/dbraw/zinc/35/94/37/376359437.db2.gz GINFKKILUUVAAS-KRWDZBQOSA-N 1 3 260.425 3.207 20 0 CGADHO CCC[N@H+](Cc1ccc(C)cc1)C[C@H]1CCCNC1 ZINC000226434884 376359441 /nfs/dbraw/zinc/35/94/41/376359441.db2.gz GINFKKILUUVAAS-KRWDZBQOSA-N 1 3 260.425 3.207 20 0 CGADHO CCC[N@H+](C[C@H]1CCCNC1)[C@@H]1CCc2ccccc21 ZINC000226436195 376360210 /nfs/dbraw/zinc/36/02/10/376360210.db2.gz ZARAXXIRGJJIIG-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCc2ccccc21 ZINC000226436195 376360219 /nfs/dbraw/zinc/36/02/19/376360219.db2.gz ZARAXXIRGJJIIG-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CN(Cc1cccc(C2CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226449863 376361421 /nfs/dbraw/zinc/36/14/21/376361421.db2.gz GTUPWZDAOYRZDX-QGZVFWFLSA-N 1 3 258.409 3.138 20 0 CGADHO CN(Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226449889 376361693 /nfs/dbraw/zinc/36/16/93/376361693.db2.gz GCVUIJVUYWVCKO-KRWDZBQOSA-N 1 3 258.409 3.138 20 0 CGADHO CN1CC=C(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000540645297 376388137 /nfs/dbraw/zinc/38/81/37/376388137.db2.gz LVXGHYSTOCEDIP-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@@H](CN(C)CC3CC3)C2)CC1 ZINC000542506917 376550386 /nfs/dbraw/zinc/55/03/86/376550386.db2.gz NAKLSWREVRZXRR-VJFUWPCTSA-N 1 3 278.484 3.476 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@@H](CN(C)CC3CC3)C2)CC1 ZINC000542506917 376550393 /nfs/dbraw/zinc/55/03/93/376550393.db2.gz NAKLSWREVRZXRR-VJFUWPCTSA-N 1 3 278.484 3.476 20 0 CGADHO Cc1cccc([C@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000543254348 376626369 /nfs/dbraw/zinc/62/63/69/376626369.db2.gz YBXASOYAEMFKAR-ZWKOTPCHSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1cccc([C@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254348 376626382 /nfs/dbraw/zinc/62/63/82/376626382.db2.gz YBXASOYAEMFKAR-ZWKOTPCHSA-N 1 3 272.436 3.269 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C12CCC2 ZINC000245827473 376913535 /nfs/dbraw/zinc/91/35/35/376913535.db2.gz BCAHVRPBQVXERK-BRWVUGGUSA-N 1 3 294.483 3.044 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](c1ccccc1)C1CC1 ZINC000245898618 376929719 /nfs/dbraw/zinc/92/97/19/376929719.db2.gz NMTPTTZAMPFQLN-IAGOWNOFSA-N 1 3 258.409 3.212 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@H](c1ccccc1)C1CC1 ZINC000245898618 376929728 /nfs/dbraw/zinc/92/97/28/376929728.db2.gz NMTPTTZAMPFQLN-IAGOWNOFSA-N 1 3 258.409 3.212 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000245898618 376929734 /nfs/dbraw/zinc/92/97/34/376929734.db2.gz NMTPTTZAMPFQLN-IAGOWNOFSA-N 1 3 258.409 3.212 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246376289 377017262 /nfs/dbraw/zinc/01/72/62/377017262.db2.gz JSVRTEXWRVJADK-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426623 377052361 /nfs/dbraw/zinc/05/23/61/377052361.db2.gz MBJZLMQNJMUCMG-DOMZBBRYSA-N 1 3 282.378 3.228 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426623 377052370 /nfs/dbraw/zinc/05/23/70/377052370.db2.gz MBJZLMQNJMUCMG-DOMZBBRYSA-N 1 3 282.378 3.228 20 0 CGADHO CC(C)[C@H](Cn1cccn1)NCCC[NH+](C(C)C)C(C)C ZINC000340518903 377115887 /nfs/dbraw/zinc/11/58/87/377115887.db2.gz JXGDNBSNHJUTDP-KRWDZBQOSA-N 1 3 294.487 3.006 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000340464311 377073859 /nfs/dbraw/zinc/07/38/59/377073859.db2.gz SOUPDAZOXYKRRZ-YCPHGPKFSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000340464311 377073861 /nfs/dbraw/zinc/07/38/61/377073861.db2.gz SOUPDAZOXYKRRZ-YCPHGPKFSA-N 1 3 270.436 3.367 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000247213572 377176106 /nfs/dbraw/zinc/17/61/06/377176106.db2.gz VXGODTAGULUNAT-INMHGKMJSA-N 1 3 276.399 3.275 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000561467502 377228370 /nfs/dbraw/zinc/22/83/70/377228370.db2.gz CYBZGJBPFDOPLG-PCKAHOCUSA-N 1 3 252.446 3.275 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000247436704 377204971 /nfs/dbraw/zinc/20/49/71/377204971.db2.gz MTOCJPWEERAFTE-HZPDHXFCSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000247436704 377204976 /nfs/dbraw/zinc/20/49/76/377204976.db2.gz MTOCJPWEERAFTE-HZPDHXFCSA-N 1 3 290.451 3.186 20 0 CGADHO COc1cccc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248186820 377275632 /nfs/dbraw/zinc/27/56/32/377275632.db2.gz XNKAWFSMXIPZJR-ZVZYQTTQSA-N 1 3 288.435 3.172 20 0 CGADHO COc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248186820 377275636 /nfs/dbraw/zinc/27/56/36/377275636.db2.gz XNKAWFSMXIPZJR-ZVZYQTTQSA-N 1 3 288.435 3.172 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015770 377443900 /nfs/dbraw/zinc/44/39/00/377443900.db2.gz POLOAIHAZJRPTP-YOEHRIQHSA-N 1 3 278.415 3.030 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015770 377443904 /nfs/dbraw/zinc/44/39/04/377443904.db2.gz POLOAIHAZJRPTP-YOEHRIQHSA-N 1 3 278.415 3.030 20 0 CGADHO CC(C)C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000414936996 249124138 /nfs/dbraw/zinc/12/41/38/249124138.db2.gz HHLKRUUBGWOMBH-JQHSSLGASA-N 1 3 274.452 3.404 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000249999572 377547050 /nfs/dbraw/zinc/54/70/50/377547050.db2.gz BOHNGWVUBWUKEE-ZACQAIPSSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000249999572 377547056 /nfs/dbraw/zinc/54/70/56/377547056.db2.gz BOHNGWVUBWUKEE-ZACQAIPSSA-N 1 3 290.838 3.024 20 0 CGADHO Fc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250192001 377556047 /nfs/dbraw/zinc/55/60/47/377556047.db2.gz KADSILHLKRHGRK-GRAKBVBRSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250192001 377556051 /nfs/dbraw/zinc/55/60/51/377556051.db2.gz KADSILHLKRHGRK-GRAKBVBRSA-N 1 3 288.410 3.288 20 0 CGADHO C[NH2+]CC1CCN(Cc2c(C)cc(Cl)cc2C)CC1 ZINC000470006031 249165854 /nfs/dbraw/zinc/16/58/54/249165854.db2.gz LNMZXYSNEXBNLM-UHFFFAOYSA-N 1 3 280.843 3.388 20 0 CGADHO CC(C)C(C[NH2+][C@H]1CCC[C@H](N(C)C)C1)C(C)C ZINC000515010909 249198437 /nfs/dbraw/zinc/19/84/37/249198437.db2.gz AJYCDNCWIQECIK-GJZGRUSLSA-N 1 3 254.462 3.377 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251343414 377580522 /nfs/dbraw/zinc/58/05/22/377580522.db2.gz MNORVTFBSXAJJO-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251425248 377582348 /nfs/dbraw/zinc/58/23/48/377582348.db2.gz STLJZSAHQXBKAO-HOTGVXAUSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251425248 377582350 /nfs/dbraw/zinc/58/23/50/377582350.db2.gz STLJZSAHQXBKAO-HOTGVXAUSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251425248 377582356 /nfs/dbraw/zinc/58/23/56/377582356.db2.gz STLJZSAHQXBKAO-HOTGVXAUSA-N 1 3 250.430 3.173 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950954 377598165 /nfs/dbraw/zinc/59/81/65/377598165.db2.gz FBNLXNURXGCIIP-RBUKOAKNSA-N 1 3 295.430 3.498 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@H]1C ZINC000251946480 377605024 /nfs/dbraw/zinc/60/50/24/377605024.db2.gz WKQHSYRVVUZZFO-LEOABGAYSA-N 1 3 250.430 3.028 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000564252115 322024490 /nfs/dbraw/zinc/02/44/90/322024490.db2.gz NSXJKSHDWVPMGW-WFASDCNBSA-N 1 3 266.454 3.083 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000564252115 322024491 /nfs/dbraw/zinc/02/44/91/322024491.db2.gz NSXJKSHDWVPMGW-WFASDCNBSA-N 1 3 266.454 3.083 20 0 CGADHO CCC[NH+]1CCC(CNc2ccnc3ccccc32)CC1 ZINC000574127286 377624251 /nfs/dbraw/zinc/62/42/51/377624251.db2.gz BMDFFZKGYHXHCR-UHFFFAOYSA-N 1 3 283.419 3.191 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000181481764 542218280 /nfs/dbraw/zinc/21/82/80/542218280.db2.gz BBAMROBYKPPTEF-RHSMWYFYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252513450 377635553 /nfs/dbraw/zinc/63/55/53/377635553.db2.gz QUXNJLCNBOSJNN-GQGLESIBSA-N 1 3 264.457 3.418 20 0 CGADHO FC1(F)CCCC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000574364637 377654009 /nfs/dbraw/zinc/65/40/09/377654009.db2.gz XYHFAYDWCGCGHR-CQSZACIVSA-N 1 3 286.410 3.276 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000574812430 377713477 /nfs/dbraw/zinc/71/34/77/377713477.db2.gz DIALULPUDPJBOD-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000574812430 377713480 /nfs/dbraw/zinc/71/34/80/377713480.db2.gz DIALULPUDPJBOD-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](CCN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812430 377713486 /nfs/dbraw/zinc/71/34/86/377713486.db2.gz DIALULPUDPJBOD-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000574796618 377709413 /nfs/dbraw/zinc/70/94/13/377709413.db2.gz IWKXTXCTFLKMOM-KBMXLJTQSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000574796618 377709427 /nfs/dbraw/zinc/70/94/27/377709427.db2.gz IWKXTXCTFLKMOM-KBMXLJTQSA-N 1 3 278.465 3.095 20 0 CGADHO C([C@H]1CCCOC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000342717639 377754362 /nfs/dbraw/zinc/75/43/62/377754362.db2.gz ADSLIYOAZYBBKD-ZWKOTPCHSA-N 1 3 294.483 3.001 20 0 CGADHO C[N@H+](Cc1ccc2ccccc2c1)C1CCNCC1 ZINC000258988161 377802805 /nfs/dbraw/zinc/80/28/05/377802805.db2.gz MLKJFRIJPQXNGN-UHFFFAOYSA-N 1 3 254.377 3.024 20 0 CGADHO C[N@@H+](Cc1ccc2ccccc2c1)C1CCNCC1 ZINC000258988161 377802809 /nfs/dbraw/zinc/80/28/09/377802809.db2.gz MLKJFRIJPQXNGN-UHFFFAOYSA-N 1 3 254.377 3.024 20 0 CGADHO CNC[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261565694 377818402 /nfs/dbraw/zinc/81/84/02/377818402.db2.gz HXXDTFXEIGGGET-HNNXBMFYSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261565694 377818411 /nfs/dbraw/zinc/81/84/11/377818411.db2.gz HXXDTFXEIGGGET-HNNXBMFYSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC2CCC(C)(C)CC2)C1 ZINC000261565694 377818416 /nfs/dbraw/zinc/81/84/16/377818416.db2.gz HXXDTFXEIGGGET-HNNXBMFYSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)c1nccs1 ZINC000261575256 377821113 /nfs/dbraw/zinc/82/11/13/377821113.db2.gz YWFYMCJBLNWPKN-BFHYXJOUSA-N 1 3 281.469 3.147 20 0 CGADHO CC[N@H+](C[C@@H](C)c1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000261994122 377876471 /nfs/dbraw/zinc/87/64/71/377876471.db2.gz SSIRUBKUGQTDGG-PBHICJAKSA-N 1 3 278.415 3.393 20 0 CGADHO CC[N@@H+](C[C@@H](C)c1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000261994122 377876476 /nfs/dbraw/zinc/87/64/76/377876476.db2.gz SSIRUBKUGQTDGG-PBHICJAKSA-N 1 3 278.415 3.393 20 0 CGADHO CC[C@H](c1ccccc1)N(CC)C[C@]1(C)CC[NH2+]C1 ZINC000261995789 377877791 /nfs/dbraw/zinc/87/77/91/377877791.db2.gz KSMSPKLZROGWMM-IAGOWNOFSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H]1CCC[C@@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000182998069 542227893 /nfs/dbraw/zinc/22/78/93/542227893.db2.gz STKWTFUOVBKOMW-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823156 377857308 /nfs/dbraw/zinc/85/73/08/377857308.db2.gz INXCCGLMKONKSX-YRGRVCCFSA-N 1 3 266.816 3.113 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc2ccccc2n1 ZINC000575742184 377986133 /nfs/dbraw/zinc/98/61/33/377986133.db2.gz PTEOFLAREHPAMX-FUHWJXTLSA-N 1 3 283.419 3.027 20 0 CGADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000578988043 378118513 /nfs/dbraw/zinc/11/85/13/378118513.db2.gz IIFXYMBVGPLRBN-OAHLLOKOSA-N 1 3 260.406 3.448 20 0 CGADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)CN1CCCC1 ZINC000268872763 378138621 /nfs/dbraw/zinc/13/86/21/378138621.db2.gz PNHKPQNTJBTFEE-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CCN(Cc1cc(C)cc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000345189379 378219157 /nfs/dbraw/zinc/21/91/57/378219157.db2.gz MQQIRDRXBMZEIF-KRWDZBQOSA-N 1 3 260.425 3.267 20 0 CGADHO CCC1(CC)[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C[C@H]1OC ZINC000344098284 378159344 /nfs/dbraw/zinc/15/93/44/378159344.db2.gz JCLZAZZWNSLYLY-BRWVUGGUSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N)C[C@@H]1C ZINC000579488880 378166131 /nfs/dbraw/zinc/16/61/31/378166131.db2.gz YVUWTNAQDCVSFG-VYDXJSESSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](N)C[C@@H]1C ZINC000579488880 378166137 /nfs/dbraw/zinc/16/61/37/378166137.db2.gz YVUWTNAQDCVSFG-VYDXJSESSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000579488880 378166139 /nfs/dbraw/zinc/16/61/39/378166139.db2.gz YVUWTNAQDCVSFG-VYDXJSESSA-N 1 3 260.425 3.067 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000580963188 378272886 /nfs/dbraw/zinc/27/28/86/378272886.db2.gz OTRYBWKLYLJOGC-SIXLDLHFSA-N 1 3 276.399 3.321 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000580768116 378256470 /nfs/dbraw/zinc/25/64/70/378256470.db2.gz QILYIDSQTKJZKK-SJORKVTESA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000580768116 378256475 /nfs/dbraw/zinc/25/64/75/378256475.db2.gz QILYIDSQTKJZKK-SJORKVTESA-N 1 3 260.425 3.300 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)CC1 ZINC000584447487 378385389 /nfs/dbraw/zinc/38/53/89/378385389.db2.gz XFRODSPQVNJRAD-INIZCTEOSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC000584447487 378385393 /nfs/dbraw/zinc/38/53/93/378385393.db2.gz XFRODSPQVNJRAD-INIZCTEOSA-N 1 3 283.419 3.151 20 0 CGADHO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271904016 378511438 /nfs/dbraw/zinc/51/14/38/378511438.db2.gz WCSHUELDYVTRBS-SCLBCKFNSA-N 1 3 288.410 3.301 20 0 CGADHO CC[NH+]1CCC(NC2(c3ccccc3)CCC2)CC1 ZINC000272049588 378553233 /nfs/dbraw/zinc/55/32/33/378553233.db2.gz MWFSLDKAKXMUEP-UHFFFAOYSA-N 1 3 258.409 3.140 20 0 CGADHO CCCCOc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346680815 378673705 /nfs/dbraw/zinc/67/37/05/378673705.db2.gz MTBPUVMOJYHVCY-GDBMZVCRSA-N 1 3 276.424 3.035 20 0 CGADHO COc1ccc([C@@H](C)CN(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346693748 378678122 /nfs/dbraw/zinc/67/81/22/378678122.db2.gz PKSPOXKADWFNSE-WMLDXEAASA-N 1 3 278.440 3.104 20 0 CGADHO CCCCOCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922419 378730241 /nfs/dbraw/zinc/73/02/41/378730241.db2.gz CLKLUXSTKOYTGU-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922419 378730245 /nfs/dbraw/zinc/73/02/45/378730245.db2.gz CLKLUXSTKOYTGU-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347922419 378730247 /nfs/dbraw/zinc/73/02/47/378730247.db2.gz CLKLUXSTKOYTGU-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)oc2cc1C ZINC000346827938 218027155 /nfs/dbraw/zinc/02/71/55/218027155.db2.gz MXXANCRAONFCQA-XKQJLSEDSA-N 1 3 284.403 3.219 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc4ccccc4s3)C[C@@H]21 ZINC000346838321 218031000 /nfs/dbraw/zinc/03/10/00/218031000.db2.gz WXUXOUYLEZDLQT-VNQPRFMTSA-N 1 3 286.444 3.461 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346836825 218031170 /nfs/dbraw/zinc/03/11/70/218031170.db2.gz VRJZBSHRQKDIEE-JQHSSLGASA-N 1 3 288.435 3.035 20 0 CGADHO COc1ccsc1[C@H](C)NCC1(C)CC[NH+](C)CC1 ZINC000274609095 378860371 /nfs/dbraw/zinc/86/03/71/378860371.db2.gz SPCIPAHJVFPTET-LBPRGKRZSA-N 1 3 282.453 3.139 20 0 CGADHO Cc1ccsc1[C@@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278509256 194018661 /nfs/dbraw/zinc/01/86/61/194018661.db2.gz MBHUJSJIKCRRDB-LSDHHAIUSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccsc1[C@@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278509256 194018663 /nfs/dbraw/zinc/01/86/63/194018663.db2.gz MBHUJSJIKCRRDB-LSDHHAIUSA-N 1 3 296.480 3.208 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004652 218088329 /nfs/dbraw/zinc/08/83/29/218088329.db2.gz AIVBGFXYYVYJLS-HNAYVOBHSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)CC[C@@H]1c1ccccc1 ZINC000347014312 218093373 /nfs/dbraw/zinc/09/33/73/218093373.db2.gz WRINDRNSLODMLG-RYRKJORJSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CC[C@@H]1c1ccccc1 ZINC000347014312 218093375 /nfs/dbraw/zinc/09/33/75/218093375.db2.gz WRINDRNSLODMLG-RYRKJORJSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000347014312 218093377 /nfs/dbraw/zinc/09/33/77/218093377.db2.gz WRINDRNSLODMLG-RYRKJORJSA-N 1 3 272.436 3.112 20 0 CGADHO CCCN(Cc1ccc(C)cc1C)C1CC[NH2+]CC1 ZINC000347183520 218147705 /nfs/dbraw/zinc/14/77/05/218147705.db2.gz XNOXOFBGZLEGLC-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000347216341 218158132 /nfs/dbraw/zinc/15/81/32/218158132.db2.gz RIHGHYYHMSZQQA-LBPRGKRZSA-N 1 3 293.480 3.360 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccccc1C ZINC000349666771 379337754 /nfs/dbraw/zinc/33/77/54/379337754.db2.gz OJBDWCPQORQSMB-INIZCTEOSA-N 1 3 278.440 3.004 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2sccc2OC)CC1 ZINC000350220521 379530599 /nfs/dbraw/zinc/53/05/99/379530599.db2.gz NQXMNCMCZPZNAO-UHFFFAOYSA-N 1 3 296.480 3.311 20 0 CGADHO C[C@H](c1cccc(F)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682692 379545492 /nfs/dbraw/zinc/54/54/92/379545492.db2.gz JQDWALDLWMDEHS-OAHLLOKOSA-N 1 3 299.393 3.494 20 0 CGADHO C(=C/c1ccccc1)\CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681711 379545896 /nfs/dbraw/zinc/54/58/96/379545896.db2.gz CFTIWTQFNDPTMQ-XBXARRHUSA-N 1 3 293.414 3.307 20 0 CGADHO C(CN1CCCCC1)C[NH+]1CCC2(CCSCC2)CC1 ZINC000639983871 379674796 /nfs/dbraw/zinc/67/47/96/379674796.db2.gz ZAAYSBLUGSYLLS-UHFFFAOYSA-N 1 3 296.524 3.472 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C2CCCC2)CC1 ZINC000639987134 379676254 /nfs/dbraw/zinc/67/62/54/379676254.db2.gz XGDQJHFSJSWCNF-UHFFFAOYSA-N 1 3 250.430 3.269 20 0 CGADHO COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]2CCN)cc1 ZINC000352535225 379846635 /nfs/dbraw/zinc/84/66/35/379846635.db2.gz OADVVVLZNWBCFG-GDBMZVCRSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2CCN)cc1 ZINC000352535225 379846638 /nfs/dbraw/zinc/84/66/38/379846638.db2.gz OADVVVLZNWBCFG-GDBMZVCRSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@H](C)CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352535225 379846643 /nfs/dbraw/zinc/84/66/43/379846643.db2.gz OADVVVLZNWBCFG-GDBMZVCRSA-N 1 3 276.424 3.002 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000380480445 379865652 /nfs/dbraw/zinc/86/56/52/379865652.db2.gz UHNMQUXXDQWABS-LSDHHAIUSA-N 1 3 278.440 3.322 20 0 CGADHO C[C@@H](c1ccncc1)N(C)CCCC[NH+]1CCCCC1 ZINC000640530364 379820223 /nfs/dbraw/zinc/82/02/23/379820223.db2.gz DBQHFITZZBOPHC-INIZCTEOSA-N 1 3 275.440 3.341 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]Cc1cccc2c1CCNC2 ZINC000398141268 379928854 /nfs/dbraw/zinc/92/88/54/379928854.db2.gz OKGUSYYBAXURGM-CYBMUJFWSA-N 1 3 258.409 3.001 20 0 CGADHO CN1CC=C(C[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000352740471 379932514 /nfs/dbraw/zinc/93/25/14/379932514.db2.gz XOLARAJAIDHSFO-UHFFFAOYSA-N 1 3 290.838 3.438 20 0 CGADHO c1ccc(C2CC(C[NH2+][C@@H]3CCN4CCC[C@H]4C3)C2)cc1 ZINC000283391332 380060480 /nfs/dbraw/zinc/06/04/80/380060480.db2.gz PPNHZTSGBNJWHH-AWRGBYNESA-N 1 3 284.447 3.397 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000410414899 380093724 /nfs/dbraw/zinc/09/37/24/380093724.db2.gz TVMLINGNGFSGBP-JYJNAYRXSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000410414899 380093726 /nfs/dbraw/zinc/09/37/26/380093726.db2.gz TVMLINGNGFSGBP-JYJNAYRXSA-N 1 3 252.446 3.085 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643031509 380205192 /nfs/dbraw/zinc/20/51/92/380205192.db2.gz QKUPRNGKGTWHAD-KDOFPFPSSA-N 1 3 295.430 3.294 20 0 CGADHO Cc1occc1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000414430421 380231596 /nfs/dbraw/zinc/23/15/96/380231596.db2.gz JNCLQRRAJSPDGC-UHFFFAOYSA-N 1 3 299.418 3.331 20 0 CGADHO Cc1occc1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000414430421 380231600 /nfs/dbraw/zinc/23/16/00/380231600.db2.gz JNCLQRRAJSPDGC-UHFFFAOYSA-N 1 3 299.418 3.331 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCNCC1 ZINC000643521754 380337594 /nfs/dbraw/zinc/33/75/94/380337594.db2.gz BFSGAIAMBQNFAP-IUODEOHRSA-N 1 3 282.378 3.018 20 0 CGADHO Cc1ccc(C[C@H](NC[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502017 380325212 /nfs/dbraw/zinc/32/52/12/380325212.db2.gz VWUHKHNYQLBPBM-ROUUACIJSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CCC[NH2+]CC1 ZINC000643521754 380337596 /nfs/dbraw/zinc/33/75/96/380337596.db2.gz BFSGAIAMBQNFAP-IUODEOHRSA-N 1 3 282.378 3.018 20 0 CGADHO NC1(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CCC1 ZINC000643517850 380335743 /nfs/dbraw/zinc/33/57/43/380335743.db2.gz LMKIBFLFNWHKRM-GOSISDBHSA-N 1 3 280.415 3.441 20 0 CGADHO CCc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000643521407 380336111 /nfs/dbraw/zinc/33/61/11/380336111.db2.gz FDOKYAXTMNTNBZ-VXGBXAGGSA-N 1 3 252.427 3.103 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000643465391 380313547 /nfs/dbraw/zinc/31/35/47/380313547.db2.gz CWBCGWCDNUXJPI-ZSZQSSIHSA-N 1 3 295.430 3.131 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548843 380364934 /nfs/dbraw/zinc/36/49/34/380364934.db2.gz VZVQBMZAWKIJDZ-WMLDXEAASA-N 1 3 285.435 3.198 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548734 380365032 /nfs/dbraw/zinc/36/50/32/380365032.db2.gz UIWQIYOFKNEZCE-BZUAXINKSA-N 1 3 294.483 3.235 20 0 CGADHO CCCCO[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548734 380365035 /nfs/dbraw/zinc/36/50/35/380365035.db2.gz UIWQIYOFKNEZCE-BZUAXINKSA-N 1 3 294.483 3.235 20 0 CGADHO NCCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000414696904 380377896 /nfs/dbraw/zinc/37/78/96/380377896.db2.gz WENDYTXXFSOFLW-QGZVFWFLSA-N 1 3 254.377 3.326 20 0 CGADHO NCCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000414696904 380377900 /nfs/dbraw/zinc/37/79/00/380377900.db2.gz WENDYTXXFSOFLW-QGZVFWFLSA-N 1 3 254.377 3.326 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3c(F)cc(F)cc3[C@H]2C)CC[NH2+]1 ZINC000414708371 380383954 /nfs/dbraw/zinc/38/39/54/380383954.db2.gz NSZUBWSADXGODJ-UPJWGTAASA-N 1 3 294.389 3.272 20 0 CGADHO CC[N@H+](C[C@@H](C)Cc1ccccc1)[C@@H]1CCCNCC1 ZINC000414713458 380385723 /nfs/dbraw/zinc/38/57/23/380385723.db2.gz KQHJRFKZDAXERK-FUHWJXTLSA-N 1 3 274.452 3.329 20 0 CGADHO CC[N@@H+](C[C@@H](C)Cc1ccccc1)[C@@H]1CCCNCC1 ZINC000414713458 380385730 /nfs/dbraw/zinc/38/57/30/380385730.db2.gz KQHJRFKZDAXERK-FUHWJXTLSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)c2sccc21 ZINC000643522537 380339403 /nfs/dbraw/zinc/33/94/03/380339403.db2.gz OTSOTIWHIWIPRR-MBNYWOFBSA-N 1 3 264.438 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)CCN1 ZINC000643525755 380340628 /nfs/dbraw/zinc/34/06/28/380340628.db2.gz AQZKSDFDRCHBMW-XOKHGSTOSA-N 1 3 258.409 3.258 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000643527556 380342797 /nfs/dbraw/zinc/34/27/97/380342797.db2.gz OLTKSDBMHNANHR-GDLCADMTSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(F)c1 ZINC000643535695 380352805 /nfs/dbraw/zinc/35/28/05/380352805.db2.gz OSMCLTDEZWXIGO-HZMBPMFUSA-N 1 3 282.790 3.272 20 0 CGADHO CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546659 380360996 /nfs/dbraw/zinc/36/09/96/380360996.db2.gz SNTBLHXQTMZSCA-SOUVJXGZSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546616 380361385 /nfs/dbraw/zinc/36/13/85/380361385.db2.gz RTEFRBIVEVKXNJ-LSDHHAIUSA-N 1 3 258.409 3.320 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1C(C)(C)C1(C)C ZINC000643547357 380361944 /nfs/dbraw/zinc/36/19/44/380361944.db2.gz DIMAXMCZJKBULJ-OLZOCXBDSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643547985 380362661 /nfs/dbraw/zinc/36/26/61/380362661.db2.gz LLZAESTUGFOWDV-LXTVHRRPSA-N 1 3 250.430 3.075 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C\c1ccc(F)cc1F ZINC000414813339 380424333 /nfs/dbraw/zinc/42/43/33/380424333.db2.gz YDPJJUZXXLWXBQ-WPLVGACYSA-N 1 3 280.362 3.085 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000414812610 380424488 /nfs/dbraw/zinc/42/44/88/380424488.db2.gz XNTBUKCWFBQIES-DJIMGWMZSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@@H]([NH3+])CCNCc1ccc(-c2ccccc2)s1 ZINC000414825354 380434161 /nfs/dbraw/zinc/43/41/61/380434161.db2.gz SHUQYYQKRZXDOE-GFCCVEGCSA-N 1 3 260.406 3.242 20 0 CGADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)c1ccccc1 ZINC000414826104 380435271 /nfs/dbraw/zinc/43/52/71/380435271.db2.gz ILZHFAIBFKKJDI-MVKWESTCSA-N 1 3 258.409 3.051 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414825600 380435380 /nfs/dbraw/zinc/43/53/80/380435380.db2.gz TXALMTWGVCWWCR-WOPDTQHZSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@@H]([NH2+]CCC1CCCCCC1)[C@H]1CCCNC1 ZINC000414827708 380438626 /nfs/dbraw/zinc/43/86/26/380438626.db2.gz YGIJXVUXIHOGOG-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO Clc1sccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782791 380402506 /nfs/dbraw/zinc/40/25/06/380402506.db2.gz OVPPUXPVKBYXTH-VXGBXAGGSA-N 1 3 284.856 3.223 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CCC[C@@H]3C[NH3+])ccc2c1 ZINC000414789119 380405474 /nfs/dbraw/zinc/40/54/74/380405474.db2.gz FAKHVNJFZMOACH-SJLPKXTDSA-N 1 3 284.403 3.065 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1csc2ccccc12 ZINC000414791603 380406940 /nfs/dbraw/zinc/40/69/40/380406940.db2.gz IABYTCVDXROXOP-FZMZJTMJSA-N 1 3 260.406 3.118 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414793498 380409314 /nfs/dbraw/zinc/40/93/14/380409314.db2.gz DMKVVFYWWIFYQL-UNEWFSDZSA-N 1 3 278.415 3.254 20 0 CGADHO Cc1nc(C)c(CNCc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000414802127 380414694 /nfs/dbraw/zinc/41/46/94/380414694.db2.gz BDQQDNKJMSPOQF-JTQLQIEISA-N 1 3 275.421 3.069 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414801847 380415032 /nfs/dbraw/zinc/41/50/32/380415032.db2.gz MIGQGLSTMXDERO-FJIDUMEYSA-N 1 3 272.436 3.115 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000414805373 380417819 /nfs/dbraw/zinc/41/78/19/380417819.db2.gz PPHZCWMEIMNLQB-BXUZGUMPSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H](C[NH3+])C1CC1 ZINC000414807256 380419665 /nfs/dbraw/zinc/41/96/65/380419665.db2.gz NUHRJQHPBSVMOX-OTYXRUKQSA-N 1 3 287.234 3.251 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000414807485 380420093 /nfs/dbraw/zinc/42/00/93/380420093.db2.gz RIYYUZWYXLBEGN-UHFFFAOYSA-N 1 3 286.419 3.456 20 0 CGADHO Cc1nc2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2s1 ZINC000414811442 380421820 /nfs/dbraw/zinc/42/18/20/380421820.db2.gz WHDGWTJGAQVEDM-KGLIPLIRSA-N 1 3 289.448 3.212 20 0 CGADHO Cc1nc2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2s1 ZINC000414811443 380421944 /nfs/dbraw/zinc/42/19/44/380421944.db2.gz WHDGWTJGAQVEDM-UONOGXRCSA-N 1 3 289.448 3.212 20 0 CGADHO c1ccc([C@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414912947 380487552 /nfs/dbraw/zinc/48/75/52/380487552.db2.gz ZBYCJUNVBLLWJC-BRWVUGGUSA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNCC2)CC1 ZINC000414917741 380487564 /nfs/dbraw/zinc/48/75/64/380487564.db2.gz RBDHDWGRWOYQMS-OAGGEKHMSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000414925537 380491180 /nfs/dbraw/zinc/49/11/80/380491180.db2.gz JUDAZPPGHHACQJ-GOSISDBHSA-N 1 3 287.451 3.110 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2csc3ccccc23)C1 ZINC000414930097 380494392 /nfs/dbraw/zinc/49/43/92/380494392.db2.gz SLQCHFGCAQBYQM-STQMWFEESA-N 1 3 260.406 3.261 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000414945186 380499749 /nfs/dbraw/zinc/49/97/49/380499749.db2.gz RCVLOOXGXWSFJS-SPUZQDLCSA-N 1 3 272.436 3.219 20 0 CGADHO c1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059109 380507356 /nfs/dbraw/zinc/50/73/56/380507356.db2.gz WPDKCPRJHBCSBC-OALUTQOASA-N 1 3 284.447 3.139 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C)C(C)(C)c1ccccc1 ZINC000415090569 380507659 /nfs/dbraw/zinc/50/76/59/380507659.db2.gz YAZYZHBTZTVUAS-BFYDXBDKSA-N 1 3 274.452 3.473 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](N)CC(C)C)c(C)s1 ZINC000415126714 380508901 /nfs/dbraw/zinc/50/89/01/380508901.db2.gz UYODWUJLKHEDHO-YPMHNXCESA-N 1 3 254.443 3.389 20 0 CGADHO C[C@H](NCc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414861348 380461368 /nfs/dbraw/zinc/46/13/68/380461368.db2.gz WLRINZNNVCRVNA-HNAYVOBHSA-N 1 3 295.430 3.226 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000414873460 380468187 /nfs/dbraw/zinc/46/81/87/380468187.db2.gz XOGGYUGBPHOUMV-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO N[C@@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000414895205 380478032 /nfs/dbraw/zinc/47/80/32/380478032.db2.gz MWTHHVBVSCGSMF-INIZCTEOSA-N 1 3 272.417 3.242 20 0 CGADHO C[C@H](C[NH2+]C[C@@]1(C)CCCNC1)c1cccc(Cl)c1 ZINC000414899108 380481011 /nfs/dbraw/zinc/48/10/11/380481011.db2.gz CFPGREWJCLTBCV-CJNGLKHVSA-N 1 3 280.843 3.423 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414900955 380481751 /nfs/dbraw/zinc/48/17/51/380481751.db2.gz FIXXNNLWFIMAFE-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO Cc1ccc([C@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414905115 380483718 /nfs/dbraw/zinc/48/37/18/380483718.db2.gz MWSWKNIFEFEUKU-KZNAEPCWSA-N 1 3 272.436 3.363 20 0 CGADHO Cc1ccc(C[N@H+](CC[C@@H]2CCCN2C)CC2CC2)cn1 ZINC000646019883 380800722 /nfs/dbraw/zinc/80/07/22/380800722.db2.gz LXQHGDOMBSDZTQ-SFHVURJKSA-N 1 3 287.451 3.086 20 0 CGADHO Cc1ccc(C[N@@H+](CC[C@@H]2CCCN2C)CC2CC2)cn1 ZINC000646019883 380800730 /nfs/dbraw/zinc/80/07/30/380800730.db2.gz LXQHGDOMBSDZTQ-SFHVURJKSA-N 1 3 287.451 3.086 20 0 CGADHO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](C)N)C(C)C ZINC000420412725 380851429 /nfs/dbraw/zinc/85/14/29/380851429.db2.gz SORKUAVFRYLURB-NHYWBVRUSA-N 1 3 260.381 3.375 20 0 CGADHO CCc1ccc([C@H](NC[C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000420369414 380851939 /nfs/dbraw/zinc/85/19/39/380851939.db2.gz IXWPKLWRESFRLY-DOTOQJQBSA-N 1 3 260.425 3.145 20 0 CGADHO C(C[C@H]1CCCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000356914996 380936554 /nfs/dbraw/zinc/93/65/54/380936554.db2.gz IINCROZSCQMKGV-GOSISDBHSA-N 1 3 294.483 3.332 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CS1 ZINC000369670413 382392615 /nfs/dbraw/zinc/39/26/15/382392615.db2.gz MFTOOTFLKMSJNY-GRAKBVBRSA-N 1 3 282.497 3.123 20 0 CGADHO CC[C@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251549135 542346722 /nfs/dbraw/zinc/34/67/22/542346722.db2.gz BAHURDVINLJHMJ-XJKSGUPXSA-N 1 3 296.842 3.168 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000252823992 542350944 /nfs/dbraw/zinc/35/09/44/542350944.db2.gz CRGOEJHNQCGYTR-SMDDNHRTSA-N 1 3 268.351 3.054 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000252823992 542350947 /nfs/dbraw/zinc/35/09/47/542350947.db2.gz CRGOEJHNQCGYTR-SMDDNHRTSA-N 1 3 268.351 3.054 20 0 CGADHO C[C@H](OCCC[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422787787 299554986 /nfs/dbraw/zinc/55/49/86/299554986.db2.gz QKOXWHKTAVBEMC-JQHSSLGASA-N 1 3 290.451 3.261 20 0 CGADHO COc1ccccc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414176589 533007379 /nfs/dbraw/zinc/00/73/79/533007379.db2.gz JEBIKKJSKVXIMK-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO COc1ccccc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176589 533007382 /nfs/dbraw/zinc/00/73/82/533007382.db2.gz JEBIKKJSKVXIMK-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CC[NH+](CC)CCOCCNCc1ccc(Cl)c(C)c1 ZINC000350313333 219007173 /nfs/dbraw/zinc/00/71/73/219007173.db2.gz GFUVCANLALUSJO-UHFFFAOYSA-N 1 3 298.858 3.096 20 0 CGADHO COc1ccc([C@H](C)N[C@@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279032 533172204 /nfs/dbraw/zinc/17/22/04/533172204.db2.gz QVTZTFUQWKMPLM-SJCJKPOMSA-N 1 3 284.403 3.236 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000305127845 542417635 /nfs/dbraw/zinc/41/76/35/542417635.db2.gz LWQQIFJFQQRHJF-JQHSSLGASA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000305127845 542417638 /nfs/dbraw/zinc/41/76/38/542417638.db2.gz LWQQIFJFQQRHJF-JQHSSLGASA-N 1 3 296.499 3.026 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)ccn1 ZINC000348064445 542512771 /nfs/dbraw/zinc/51/27/71/542512771.db2.gz ABWDYBAPMQVWKH-ZWKOTPCHSA-N 1 3 285.435 3.076 20 0 CGADHO COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512331879 285371930 /nfs/dbraw/zinc/37/19/30/285371930.db2.gz LVUYNFDRFPOIPO-BBWFWOEESA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512331879 285371931 /nfs/dbraw/zinc/37/19/31/285371931.db2.gz LVUYNFDRFPOIPO-BBWFWOEESA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331879 285371933 /nfs/dbraw/zinc/37/19/33/285371933.db2.gz LVUYNFDRFPOIPO-BBWFWOEESA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc2ccccc2c1 ZINC000423328024 533431480 /nfs/dbraw/zinc/43/14/80/533431480.db2.gz RUPBVSKVWMPIQY-PXAZEXFGSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169668 533543704 /nfs/dbraw/zinc/54/37/04/533543704.db2.gz OPGYLELBNDOWBX-ZOWXZIJZSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169668 533543705 /nfs/dbraw/zinc/54/37/05/533543705.db2.gz OPGYLELBNDOWBX-ZOWXZIJZSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000423462679 533650645 /nfs/dbraw/zinc/65/06/45/533650645.db2.gz DSYYTCIUJZLOOD-FUCBWJFKSA-N 1 3 290.426 3.153 20 0 CGADHO [NH3+]CCCN(Cc1cccc(Br)c1)CC1CC1 ZINC000414757181 542638917 /nfs/dbraw/zinc/63/89/17/542638917.db2.gz SAXGGEDHGIDHHS-UHFFFAOYSA-N 1 3 297.240 3.010 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000414916527 542639630 /nfs/dbraw/zinc/63/96/30/542639630.db2.gz OSXTYDNJLBMLNU-OWSLCNJRSA-N 1 3 272.436 3.356 20 0 CGADHO C[C@H](CC[NH2+]CCCN)c1cccc(C(F)(F)F)c1 ZINC000415089153 542641918 /nfs/dbraw/zinc/64/19/18/542641918.db2.gz MYWJSJXGXKWSCO-LLVKDONJSA-N 1 3 274.330 3.137 20 0 CGADHO C[C@H](CCNCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000415089153 542641921 /nfs/dbraw/zinc/64/19/21/542641921.db2.gz MYWJSJXGXKWSCO-LLVKDONJSA-N 1 3 274.330 3.137 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037649329 391982458 /nfs/dbraw/zinc/98/24/58/391982458.db2.gz RVYFSJDJSOWELF-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649329 391982463 /nfs/dbraw/zinc/98/24/63/391982463.db2.gz RVYFSJDJSOWELF-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000070092011 392176891 /nfs/dbraw/zinc/17/68/91/392176891.db2.gz KWEGKRKOEYKMKT-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000070092011 392176894 /nfs/dbraw/zinc/17/68/94/392176894.db2.gz KWEGKRKOEYKMKT-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CCCNCC2)CC(C)(C)C1 ZINC000129358001 392452291 /nfs/dbraw/zinc/45/22/91/392452291.db2.gz LJZMZBCFTDKHMQ-ZDUSSCGKSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000367093058 392470719 /nfs/dbraw/zinc/47/07/19/392470719.db2.gz IXYBPMTUZNBUKL-XLAORIBOSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000367093058 392470724 /nfs/dbraw/zinc/47/07/24/392470724.db2.gz IXYBPMTUZNBUKL-XLAORIBOSA-N 1 3 284.447 3.457 20 0 CGADHO C(C1CCCC1)[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000157098708 392548999 /nfs/dbraw/zinc/54/89/99/392548999.db2.gz YXZFHPIFWAJMIR-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO C(C1CCCC1)[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000157098708 392549002 /nfs/dbraw/zinc/54/90/02/392549002.db2.gz YXZFHPIFWAJMIR-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO C(C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157098708 392549006 /nfs/dbraw/zinc/54/90/06/392549006.db2.gz YXZFHPIFWAJMIR-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)CN1CCCCC1 ZINC000314661657 392668119 /nfs/dbraw/zinc/66/81/19/392668119.db2.gz ULWBFJFLYSBZHJ-IRXDYDNUSA-N 1 3 294.483 3.047 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000305109323 392630365 /nfs/dbraw/zinc/63/03/65/392630365.db2.gz FFBNZMXGUJXXAL-NVXWUHKLSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000305109323 392630369 /nfs/dbraw/zinc/63/03/69/392630369.db2.gz FFBNZMXGUJXXAL-NVXWUHKLSA-N 1 3 296.499 3.170 20 0 CGADHO CCCc1cccc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647497554 392740774 /nfs/dbraw/zinc/74/07/74/392740774.db2.gz MBVJPRXNNMKWDY-DLBZAZTESA-N 1 3 260.425 3.198 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)CC1 ZINC000334581487 392741027 /nfs/dbraw/zinc/74/10/27/392741027.db2.gz JMMAHWRXUBUAKL-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)CC1 ZINC000334581487 392741030 /nfs/dbraw/zinc/74/10/30/392741030.db2.gz JMMAHWRXUBUAKL-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000334581487 392741031 /nfs/dbraw/zinc/74/10/31/392741031.db2.gz JMMAHWRXUBUAKL-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO Cc1ccsc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334869068 392755485 /nfs/dbraw/zinc/75/54/85/392755485.db2.gz OKKGBWBHKNDVLZ-UONOGXRCSA-N 1 3 264.438 3.021 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543673 392760001 /nfs/dbraw/zinc/76/00/01/392760001.db2.gz RALQEFGAWQWIPC-CVEARBPZSA-N 1 3 290.426 3.346 20 0 CGADHO Fc1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543296 392760557 /nfs/dbraw/zinc/76/05/57/392760557.db2.gz KQKNZIJJSSEGFE-LSDHHAIUSA-N 1 3 276.399 3.037 20 0 CGADHO CCc1oc2ccccc2c1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000647552816 392765361 /nfs/dbraw/zinc/76/53/61/392765361.db2.gz YXAKKMSPOWEFRV-VXGBXAGGSA-N 1 3 260.381 3.211 20 0 CGADHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)F ZINC000647800606 392803666 /nfs/dbraw/zinc/80/36/66/392803666.db2.gz HOQFVVUAIWAHFF-ZWKOPEQDSA-N 1 3 254.324 3.012 20 0 CGADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCO1 ZINC000189098241 392804563 /nfs/dbraw/zinc/80/45/63/392804563.db2.gz PXJOTGGNFNKFNU-MSOLQXFVSA-N 1 3 294.483 3.144 20 0 CGADHO CCc1ccc(CCN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814734 392808384 /nfs/dbraw/zinc/80/83/84/392808384.db2.gz BWGLFWADKAHNAC-UHFFFAOYSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(CC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814734 392808390 /nfs/dbraw/zinc/80/83/90/392808390.db2.gz BWGLFWADKAHNAC-UHFFFAOYSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(CC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814734 392808394 /nfs/dbraw/zinc/80/83/94/392808394.db2.gz BWGLFWADKAHNAC-UHFFFAOYSA-N 1 3 272.436 3.008 20 0 CGADHO CCCCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000647886814 392826349 /nfs/dbraw/zinc/82/63/49/392826349.db2.gz XMWYQYCEULDDKY-JKSUJKDBSA-N 1 3 260.425 3.459 20 0 CGADHO CCC(C)(C)CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903273 392829359 /nfs/dbraw/zinc/82/93/59/392829359.db2.gz INKLOJXAHXCMFW-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC2(F)F)c2ccccc21 ZINC000390880782 392927699 /nfs/dbraw/zinc/92/76/99/392927699.db2.gz SYLAIJQZCZYXRN-LERXQTSPSA-N 1 3 266.335 3.156 20 0 CGADHO Cc1ccccc1-c1ccccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385219 392993672 /nfs/dbraw/zinc/99/36/72/392993672.db2.gz NKPHYMWECJPRLV-HDICACEKSA-N 1 3 292.426 3.313 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648400494 392999317 /nfs/dbraw/zinc/99/93/17/392999317.db2.gz YMXQATUNNGETOL-ZSHCYNCHSA-N 1 3 270.461 3.044 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648400494 392999322 /nfs/dbraw/zinc/99/93/22/392999322.db2.gz YMXQATUNNGETOL-ZSHCYNCHSA-N 1 3 270.461 3.044 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000226927212 393015431 /nfs/dbraw/zinc/01/54/31/393015431.db2.gz SNJWBCUCAALJFI-YOEHRIQHSA-N 1 3 260.425 3.369 20 0 CGADHO Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000226955751 393015920 /nfs/dbraw/zinc/01/59/20/393015920.db2.gz CJNQRTGGABRSLM-KBPBESRZSA-N 1 3 269.392 3.107 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000415005551 393089925 /nfs/dbraw/zinc/08/99/25/393089925.db2.gz PEQQSJFQLXMJMW-RPVQJOFSSA-N 1 3 290.426 3.297 20 0 CGADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000415015320 393097157 /nfs/dbraw/zinc/09/71/57/393097157.db2.gz MSCBLVKJXYPLKV-IJLUTSLNSA-N 1 3 288.357 3.352 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@H](C)N)cc1 ZINC000414818505 393054255 /nfs/dbraw/zinc/05/42/55/393054255.db2.gz FEXVFURMKHOKBJ-WBAXXEDZSA-N 1 3 290.451 3.437 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414790956 393055255 /nfs/dbraw/zinc/05/52/55/393055255.db2.gz AWLUUCQYCMOIOE-XJNFMUPTSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000414945779 393059040 /nfs/dbraw/zinc/05/90/40/393059040.db2.gz IVVPKAVOVZRXNT-YOEHRIQHSA-N 1 3 260.425 3.083 20 0 CGADHO CC(C)c1ccc(CCN[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414945779 393059048 /nfs/dbraw/zinc/05/90/48/393059048.db2.gz IVVPKAVOVZRXNT-YOEHRIQHSA-N 1 3 260.425 3.083 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CCN1 ZINC000414951009 393060192 /nfs/dbraw/zinc/06/01/92/393060192.db2.gz PKPBDSCXXKHSND-MWQQHZPXSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C)CC1CCCCC1 ZINC000414965834 393069326 /nfs/dbraw/zinc/06/93/26/393069326.db2.gz WAKCXOGDGZILAH-DZKIICNBSA-N 1 3 252.446 3.181 20 0 CGADHO COc1ccc2cc(C[NH2+][C@H]3CCNCC3(C)C)ccc2c1 ZINC000414976386 393075602 /nfs/dbraw/zinc/07/56/02/393075602.db2.gz PSUNQOYSPGYURP-SFHVURJKSA-N 1 3 298.430 3.326 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2nc(-c3ccccc3)cs2)C1 ZINC000415047280 393111001 /nfs/dbraw/zinc/11/10/01/393111001.db2.gz VOHKBSFDFWHWMR-TZMCWYRMSA-N 1 3 287.432 3.027 20 0 CGADHO CC(C)COc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415049536 393112753 /nfs/dbraw/zinc/11/27/53/393112753.db2.gz AXEUQHFGJAEAEA-CRAIPNDOSA-N 1 3 290.451 3.138 20 0 CGADHO CC(C)COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415049536 393112756 /nfs/dbraw/zinc/11/27/56/393112756.db2.gz AXEUQHFGJAEAEA-CRAIPNDOSA-N 1 3 290.451 3.138 20 0 CGADHO CC(C)COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415049536 393112763 /nfs/dbraw/zinc/11/27/63/393112763.db2.gz AXEUQHFGJAEAEA-CRAIPNDOSA-N 1 3 290.451 3.138 20 0 CGADHO [NH3+]CCC[C@@H](NCc1ccccc1)c1ccccc1 ZINC000415052380 393114792 /nfs/dbraw/zinc/11/47/92/393114792.db2.gz KXASHRHPUJXCBY-QGZVFWFLSA-N 1 3 254.377 3.256 20 0 CGADHO C1C[C@@H]([NH2+]C2CCCCC2)[C@H]([C@H]2CCCCN2)C1 ZINC000250889744 393115387 /nfs/dbraw/zinc/11/53/87/393115387.db2.gz XIUQWAQEYRALSZ-ARFHVFGLSA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000251843631 393120883 /nfs/dbraw/zinc/12/08/83/393120883.db2.gz LVQQKPHZPJNHNB-YHUYYLMFSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000251931414 393120998 /nfs/dbraw/zinc/12/09/98/393120998.db2.gz VIDOGPMONQRURJ-UGUYLWEFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1c(F)cccc1N1CCCC1 ZINC000415062378 393122273 /nfs/dbraw/zinc/12/22/73/393122273.db2.gz LXWWEDCEWZOWPN-AWEZNQCLSA-N 1 3 293.430 3.033 20 0 CGADHO CC(C)C[C@@H]([NH3+])CNCCc1csc2ccccc12 ZINC000415075059 393131374 /nfs/dbraw/zinc/13/13/74/393131374.db2.gz AUJJHINMDVIQPZ-CQSZACIVSA-N 1 3 276.449 3.407 20 0 CGADHO CC(C)(C)NCC[NH2+]CCc1csc2ccccc12 ZINC000415075947 393131819 /nfs/dbraw/zinc/13/18/19/393131819.db2.gz BVPHWNREGCHOLB-UHFFFAOYSA-N 1 3 276.449 3.422 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000415077120 393132326 /nfs/dbraw/zinc/13/23/26/393132326.db2.gz DVRXMDBUBOWCSN-BZUAXINKSA-N 1 3 274.452 3.330 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](N)CC(C)C ZINC000415088802 393140088 /nfs/dbraw/zinc/14/00/88/393140088.db2.gz MLWOPZVSDFETOJ-MAZHCROVSA-N 1 3 298.858 3.379 20 0 CGADHO CC(C)c1ccc([C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261701340 393143462 /nfs/dbraw/zinc/14/34/62/393143462.db2.gz ILJVQUFFWGASCU-WBAXXEDZSA-N 1 3 272.436 3.412 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000415135396 393155154 /nfs/dbraw/zinc/15/51/54/393155154.db2.gz WQJLCKWBGYOZKC-RYRKJORJSA-N 1 3 274.452 3.172 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000415135396 393155164 /nfs/dbraw/zinc/15/51/64/393155164.db2.gz WQJLCKWBGYOZKC-RYRKJORJSA-N 1 3 274.452 3.172 20 0 CGADHO COC[C@H](CC(C)C)NCCC[N@H+](C)C1CCCCC1 ZINC000480255183 393435231 /nfs/dbraw/zinc/43/52/31/393435231.db2.gz XZGWIEHWRAUCSN-INIZCTEOSA-N 1 3 284.488 3.292 20 0 CGADHO COC[C@H](CC(C)C)NCCC[N@@H+](C)C1CCCCC1 ZINC000480255183 393435235 /nfs/dbraw/zinc/43/52/35/393435235.db2.gz XZGWIEHWRAUCSN-INIZCTEOSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@@H]1C ZINC000481992648 393438939 /nfs/dbraw/zinc/43/89/39/393438939.db2.gz RGQWZBRFWFKTCH-HHARLNAUSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](c1nc2ccccc2s1)N(C)CC[C@H]1CC[NH2+]C1 ZINC000420314701 393460863 /nfs/dbraw/zinc/46/08/63/393460863.db2.gz ZJGCHGDARAYPPB-CHWSQXEVSA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000420315909 393461793 /nfs/dbraw/zinc/46/17/93/393461793.db2.gz SEZLIBACCQMHRR-UONOGXRCSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000420315909 393461798 /nfs/dbraw/zinc/46/17/98/393461798.db2.gz SEZLIBACCQMHRR-UONOGXRCSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000420315908 393461946 /nfs/dbraw/zinc/46/19/46/393461946.db2.gz SEZLIBACCQMHRR-KGLIPLIRSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000420315908 393461950 /nfs/dbraw/zinc/46/19/50/393461950.db2.gz SEZLIBACCQMHRR-KGLIPLIRSA-N 1 3 274.399 3.276 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420396469 393483038 /nfs/dbraw/zinc/48/30/38/393483038.db2.gz FHRROTFGQGKQEL-SUHUHFCYSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000420317626 393463084 /nfs/dbraw/zinc/46/30/84/393463084.db2.gz NNHPXDWYKALGGF-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1cccc(Cl)c1 ZINC000420362302 393474891 /nfs/dbraw/zinc/47/48/91/393474891.db2.gz MYDXKZKFJIJUJW-OAHLLOKOSA-N 1 3 296.842 3.087 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCCCOc1cccc(Cl)c1 ZINC000420362302 393474894 /nfs/dbraw/zinc/47/48/94/393474894.db2.gz MYDXKZKFJIJUJW-OAHLLOKOSA-N 1 3 296.842 3.087 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000420364532 393475482 /nfs/dbraw/zinc/47/54/82/393475482.db2.gz PDXVSRIIKGDTQA-SFHVURJKSA-N 1 3 298.430 3.196 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)[C@H]1OC ZINC000356706403 393501241 /nfs/dbraw/zinc/50/12/41/393501241.db2.gz XFMKZIMIBYKDRW-WRQOLXDDSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)[C@H]1OC ZINC000356706403 393501243 /nfs/dbraw/zinc/50/12/43/393501243.db2.gz XFMKZIMIBYKDRW-WRQOLXDDSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H](C)[C@H]1OC ZINC000356706403 393501248 /nfs/dbraw/zinc/50/12/48/393501248.db2.gz XFMKZIMIBYKDRW-WRQOLXDDSA-N 1 3 294.483 3.043 20 0 CGADHO CC[NH+](CC)CCCN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488450517 393519482 /nfs/dbraw/zinc/51/94/82/393519482.db2.gz SHLPBFHIIOJKKD-KGLIPLIRSA-N 1 3 272.502 3.228 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488450517 393519489 /nfs/dbraw/zinc/51/94/89/393519489.db2.gz SHLPBFHIIOJKKD-KGLIPLIRSA-N 1 3 272.502 3.228 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)CS1 ZINC000488531555 393534199 /nfs/dbraw/zinc/53/41/99/393534199.db2.gz FFZWLTVFSDETSE-LSDHHAIUSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CS1 ZINC000488531555 393534201 /nfs/dbraw/zinc/53/42/01/393534201.db2.gz FFZWLTVFSDETSE-LSDHHAIUSA-N 1 3 284.513 3.228 20 0 CGADHO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)CCN1CCCCCC1 ZINC000488548175 393536957 /nfs/dbraw/zinc/53/69/57/393536957.db2.gz UGUYBTVHVPMQCZ-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000488710567 393547816 /nfs/dbraw/zinc/54/78/16/393547816.db2.gz FQJOZZZWCMKDKE-LJQANCHMSA-N 1 3 295.430 3.329 20 0 CGADHO CCc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1 ZINC000488710567 393547820 /nfs/dbraw/zinc/54/78/20/393547820.db2.gz FQJOZZZWCMKDKE-LJQANCHMSA-N 1 3 295.430 3.329 20 0 CGADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1cccc(OC)c1 ZINC000360853529 393598790 /nfs/dbraw/zinc/59/87/90/393598790.db2.gz AUWZBZIOXJLEMP-CZUORRHYSA-N 1 3 264.413 3.076 20 0 CGADHO [NH3+]C[C@@H]1CCCN(CCCSc2ccccc2Cl)C1 ZINC000430637007 393582796 /nfs/dbraw/zinc/58/27/96/393582796.db2.gz BTUBYGUVVBBNCW-ZDUSSCGKSA-N 1 3 298.883 3.493 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc(F)cc1 ZINC000422703313 393641108 /nfs/dbraw/zinc/64/11/08/393641108.db2.gz HQJIKBMIOIEZQJ-BBRMVZONSA-N 1 3 278.415 3.210 20 0 CGADHO CC[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422779910 393642673 /nfs/dbraw/zinc/64/26/73/393642673.db2.gz CGGLDRBSEGQLGR-QMHWVQJVSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CCCN1 ZINC000422779910 393642677 /nfs/dbraw/zinc/64/26/77/393642677.db2.gz CGGLDRBSEGQLGR-QMHWVQJVSA-N 1 3 250.430 3.075 20 0 CGADHO CCC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCCCC1 ZINC000423051389 393649607 /nfs/dbraw/zinc/64/96/07/393649607.db2.gz NZWRXRDJARWECS-GJZGRUSLSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@H]2CCCC[C@@H]2CN)c1C ZINC000423090423 393650753 /nfs/dbraw/zinc/65/07/53/393650753.db2.gz VNFQDPXMUYTGJG-SJORKVTESA-N 1 3 290.451 3.179 20 0 CGADHO C[C@H](NCC1(C2CCC2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000423165668 393653868 /nfs/dbraw/zinc/65/38/68/393653868.db2.gz QBEXUKFIDODGCW-DZGCQCFKSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCCCC1 ZINC000423328214 393662278 /nfs/dbraw/zinc/66/22/78/393662278.db2.gz LVYDGHYJFAFFDI-CVEARBPZSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)c2sccc21 ZINC000423381978 393665277 /nfs/dbraw/zinc/66/52/77/393665277.db2.gz DDXUIAZTGKHGJD-WVWOOGAGSA-N 1 3 264.438 3.274 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)c2sccc21 ZINC000423381978 393665280 /nfs/dbraw/zinc/66/52/80/393665280.db2.gz DDXUIAZTGKHGJD-WVWOOGAGSA-N 1 3 264.438 3.274 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CCN1 ZINC000423401150 393665801 /nfs/dbraw/zinc/66/58/01/393665801.db2.gz WWWBMXCTPKLHCP-XJKCOSOUSA-N 1 3 258.409 3.139 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423457897 393668564 /nfs/dbraw/zinc/66/85/64/393668564.db2.gz GHZLUZHMXFIVNJ-OCCSQVGLSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CC(C)(C)C2)C1 ZINC000433144573 393690943 /nfs/dbraw/zinc/69/09/43/393690943.db2.gz MZZLWZXINOZMPG-ZIAGYGMSSA-N 1 3 252.446 3.133 20 0 CGADHO Clc1cc(Cl)cc(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952055 542828278 /nfs/dbraw/zinc/82/82/78/542828278.db2.gz DLANXWTULLCLQQ-ZDUSSCGKSA-N 1 3 285.218 3.225 20 0 CGADHO c1sc(CN[C@@H]2CC23CC[NH2+]CC3)nc1-c1ccccc1 ZINC000666952479 542828415 /nfs/dbraw/zinc/82/84/15/542828415.db2.gz YHHXPHQLJSCPLW-OAHLLOKOSA-N 1 3 299.443 3.042 20 0 CGADHO CCc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443676841 393770468 /nfs/dbraw/zinc/77/04/68/393770468.db2.gz VPEWKMFDJKEEOZ-HOTGVXAUSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443676841 393770470 /nfs/dbraw/zinc/77/04/70/393770470.db2.gz VPEWKMFDJKEEOZ-HOTGVXAUSA-N 1 3 295.430 3.258 20 0 CGADHO c1nc(CN[C@H]2CC23CC[NH2+]CC3)sc1-c1ccccc1 ZINC000666954070 542829369 /nfs/dbraw/zinc/82/93/69/542829369.db2.gz PCCFVXPYNOUDNN-HNNXBMFYSA-N 1 3 299.443 3.042 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449642723 393932542 /nfs/dbraw/zinc/93/25/42/393932542.db2.gz XRQKESNTMHCIRM-SPUZQDLCSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449642723 393932546 /nfs/dbraw/zinc/93/25/46/393932546.db2.gz XRQKESNTMHCIRM-SPUZQDLCSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764762 393944386 /nfs/dbraw/zinc/94/43/86/393944386.db2.gz DKSPGAWKLOCEAF-HMDCTGQHSA-N 1 3 264.457 3.418 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC1=CCCCC1 ZINC000450593642 394027061 /nfs/dbraw/zinc/02/70/61/394027061.db2.gz BPKHCJKAQJSNMD-KURKYZTESA-N 1 3 292.467 3.060 20 0 CGADHO CCn1ccnc1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000453119652 394177908 /nfs/dbraw/zinc/17/79/08/394177908.db2.gz MIYZJHFWDHXQNS-MRXNPFEDSA-N 1 3 292.471 3.210 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)CN(C)C ZINC000453227978 394212671 /nfs/dbraw/zinc/21/26/71/394212671.db2.gz DAUNUYISTWZLHV-UONOGXRCSA-N 1 3 274.408 3.151 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N1CCCCC1 ZINC000667974627 542953027 /nfs/dbraw/zinc/95/30/27/542953027.db2.gz YUHXSMQJVHBUFZ-LVQVYYBASA-N 1 3 250.430 3.029 20 0 CGADHO COC1(CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CCC1 ZINC000339085120 292108706 /nfs/dbraw/zinc/10/87/06/292108706.db2.gz PBYXMZDRWHOLEY-JKSUJKDBSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C(C)C)cc1 ZINC000423364832 292110515 /nfs/dbraw/zinc/11/05/15/292110515.db2.gz BJEDCVVFQWBJDM-NJAFHUGGSA-N 1 3 274.452 3.292 20 0 CGADHO CC[C@H]1CN(Cc2cc(C)c(C)cc2C)CC[C@H]1[NH3+] ZINC000300417636 397673366 /nfs/dbraw/zinc/67/33/66/397673366.db2.gz WFDSIGYWZIRYAT-DOTOQJQBSA-N 1 3 260.425 3.171 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421323554 397702417 /nfs/dbraw/zinc/70/24/17/397702417.db2.gz IIWOEUMRWWORTL-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cc(C)cc(C)c1 ZINC000650719676 397901943 /nfs/dbraw/zinc/90/19/43/397901943.db2.gz YXCXKVQVUCOFIW-UHFFFAOYSA-N 1 3 268.404 3.313 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740083 397904420 /nfs/dbraw/zinc/90/44/20/397904420.db2.gz GCXMKSQHTMYXBU-IRXDYDNUSA-N 1 3 290.426 3.497 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2c1cccc2OC ZINC000650757925 397910299 /nfs/dbraw/zinc/91/02/99/397910299.db2.gz FBPNAVAQOSBGHM-GOSISDBHSA-N 1 3 296.414 3.192 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000650757150 397910320 /nfs/dbraw/zinc/91/03/20/397910320.db2.gz PULGDQIIRYHEEL-HNAYVOBHSA-N 1 3 298.430 3.272 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000421822957 292136373 /nfs/dbraw/zinc/13/63/73/292136373.db2.gz BTQOLDKKWZVHNQ-IAGOWNOFSA-N 1 3 296.499 3.434 20 0 CGADHO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000677129302 543434059 /nfs/dbraw/zinc/43/40/59/543434059.db2.gz JELLDMAACMZMTR-QGZVFWFLSA-N 1 3 294.389 3.418 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678121063 543485087 /nfs/dbraw/zinc/48/50/87/543485087.db2.gz YOAYWUJOQJQNPJ-IYBDPMFKSA-N 1 3 290.451 3.105 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678121063 543485089 /nfs/dbraw/zinc/48/50/89/543485089.db2.gz YOAYWUJOQJQNPJ-IYBDPMFKSA-N 1 3 290.451 3.105 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)[C@@H]1C ZINC000678222756 543496039 /nfs/dbraw/zinc/49/60/39/543496039.db2.gz UPHJOBMVGATKIT-HZPDHXFCSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)[C@@H]1C ZINC000678222756 543496040 /nfs/dbraw/zinc/49/60/40/543496040.db2.gz UPHJOBMVGATKIT-HZPDHXFCSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H](N[C@@H]1COc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000678598510 543540776 /nfs/dbraw/zinc/54/07/76/543540776.db2.gz QIMIHXRKQGYTCK-XHDPSFHLSA-N 1 3 294.826 3.093 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000554072814 289255123 /nfs/dbraw/zinc/25/51/23/289255123.db2.gz UGPMZYLIPYFTSP-XGUBFFRZSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000261562961 297107931 /nfs/dbraw/zinc/10/79/31/297107931.db2.gz GQNHQAVWYVXBFS-QLFBSQMISA-N 1 3 250.430 3.077 20 0 CGADHO COCC1(CN[C@@H](C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000423402862 292246932 /nfs/dbraw/zinc/24/69/32/292246932.db2.gz XEWQGCXDZVJDHA-ZDUSSCGKSA-N 1 3 296.842 3.007 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCC=C(C)C ZINC000554739436 289306916 /nfs/dbraw/zinc/30/69/16/289306916.db2.gz YIVJTTUXEMRASC-CVEARBPZSA-N 1 3 252.446 3.443 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CC=C(C)C ZINC000554739436 289306918 /nfs/dbraw/zinc/30/69/18/289306918.db2.gz YIVJTTUXEMRASC-CVEARBPZSA-N 1 3 252.446 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423386023 292369150 /nfs/dbraw/zinc/36/91/50/292369150.db2.gz LSDSFUNANODTBV-IJEWVQPXSA-N 1 3 274.408 3.068 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000449438309 287013918 /nfs/dbraw/zinc/01/39/18/287013918.db2.gz BNPXGKITCCZSGD-JJRVBVJISA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000070306154 287014083 /nfs/dbraw/zinc/01/40/83/287014083.db2.gz JOUNFIXGTDJEFY-CQSZACIVSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)[C@@H]1CCOC1 ZINC000343496507 287014164 /nfs/dbraw/zinc/01/41/64/287014164.db2.gz GHVOMKQZKOCIKI-KONPQCLYSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1CCOCC1 ZINC000120790045 287023486 /nfs/dbraw/zinc/02/34/86/287023486.db2.gz VNIXFHSRBQFYNN-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256633 165180937 /nfs/dbraw/zinc/18/09/37/165180937.db2.gz RHGHJDFJOXNQNZ-QAPCUYQASA-N 1 3 283.419 3.157 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256633 165180941 /nfs/dbraw/zinc/18/09/41/165180941.db2.gz RHGHJDFJOXNQNZ-QAPCUYQASA-N 1 3 283.419 3.157 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000089147646 165198876 /nfs/dbraw/zinc/19/88/76/165198876.db2.gz SLHHBHWFODUDOV-SUHUHFCYSA-N 1 3 252.789 3.118 20 0 CGADHO COc1ccc(C)cc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089141922 165201054 /nfs/dbraw/zinc/20/10/54/165201054.db2.gz LPDLGQNMBADHTM-LZWOXQAQSA-N 1 3 276.424 3.172 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000090795098 287104796 /nfs/dbraw/zinc/10/47/96/287104796.db2.gz BSSYTQZEIWEAQH-ZIAGYGMSSA-N 1 3 269.392 3.438 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000090795098 287104799 /nfs/dbraw/zinc/10/47/99/287104799.db2.gz BSSYTQZEIWEAQH-ZIAGYGMSSA-N 1 3 269.392 3.438 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093211246 165327227 /nfs/dbraw/zinc/32/72/27/165327227.db2.gz YQQJVOSLGNVYQJ-BPUTZDHNSA-N 1 3 276.424 3.394 20 0 CGADHO c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc(C2CC2)c1 ZINC000094519071 165352909 /nfs/dbraw/zinc/35/29/09/165352909.db2.gz VZNCQGHXXKYCOE-OAHLLOKOSA-N 1 3 270.420 3.138 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000094522162 165353542 /nfs/dbraw/zinc/35/35/42/165353542.db2.gz OMJYIKSLDIKNNW-CXAGYDPISA-N 1 3 258.409 3.123 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000121719394 287202606 /nfs/dbraw/zinc/20/26/06/287202606.db2.gz YRKVXXXGLHJBAD-VQTJNVASSA-N 1 3 298.474 3.497 20 0 CGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccccc1 ZINC000020146262 171032858 /nfs/dbraw/zinc/03/28/58/171032858.db2.gz ARDVRJHJYVWKHP-INIZCTEOSA-N 1 3 260.425 3.459 20 0 CGADHO Clc1ccc2c(c1)C[C@H](NCCC[NH+]1CCCCC1)C2 ZINC000126473786 287265855 /nfs/dbraw/zinc/26/58/55/287265855.db2.gz RDVLXDAWMXHJOJ-QGZVFWFLSA-N 1 3 292.854 3.273 20 0 CGADHO c1cc2cc(C[NH2+]C[C@H]3CCN(C4CC4)C3)ccc2o1 ZINC000285489294 196301805 /nfs/dbraw/zinc/30/18/05/196301805.db2.gz PEOUPDFADIXUHG-CQSZACIVSA-N 1 3 270.376 3.007 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285571928 196329861 /nfs/dbraw/zinc/32/98/61/196329861.db2.gz SOALDBHIZHGPIC-SJPCQFCGSA-N 1 3 276.399 3.191 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285571928 196329862 /nfs/dbraw/zinc/32/98/62/196329862.db2.gz SOALDBHIZHGPIC-SJPCQFCGSA-N 1 3 276.399 3.191 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000037248856 173061120 /nfs/dbraw/zinc/06/11/20/173061120.db2.gz QZKAMZIOWCJQCV-NSHDSACASA-N 1 3 286.341 3.450 20 0 CGADHO FCCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285741959 196385072 /nfs/dbraw/zinc/38/50/72/196385072.db2.gz YDUXNFUZLJOJTL-SFHVURJKSA-N 1 3 290.426 3.334 20 0 CGADHO FCCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285741959 196385073 /nfs/dbraw/zinc/38/50/73/196385073.db2.gz YDUXNFUZLJOJTL-SFHVURJKSA-N 1 3 290.426 3.334 20 0 CGADHO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CCCNCC1 ZINC000037389338 173172507 /nfs/dbraw/zinc/17/25/07/173172507.db2.gz HGAWZMBVKITOBT-UHFFFAOYSA-N 1 3 274.452 3.396 20 0 CGADHO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCCNCC1 ZINC000037389338 173172510 /nfs/dbraw/zinc/17/25/10/173172510.db2.gz HGAWZMBVKITOBT-UHFFFAOYSA-N 1 3 274.452 3.396 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C)s2)C1 ZINC000127168338 287282202 /nfs/dbraw/zinc/28/22/02/287282202.db2.gz RCFFNYDOJQOVSC-ZDUSSCGKSA-N 1 3 280.481 3.477 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C)s2)C1 ZINC000127168338 287282205 /nfs/dbraw/zinc/28/22/05/287282205.db2.gz RCFFNYDOJQOVSC-ZDUSSCGKSA-N 1 3 280.481 3.477 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1CCC(C[NH3+])CC1 ZINC000044511725 175188006 /nfs/dbraw/zinc/18/80/06/175188006.db2.gz CFBXDKPAXYXCPE-OAHLLOKOSA-N 1 3 266.816 3.462 20 0 CGADHO CSc1ccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404343482 416551912 /nfs/dbraw/zinc/55/19/12/416551912.db2.gz GAFHRGNKGSFILH-BBRMVZONSA-N 1 3 278.465 3.358 20 0 CGADHO c1ccc(CC[NH+]2CCC(Nc3ccncc3)CC2)cc1 ZINC000196787239 416518912 /nfs/dbraw/zinc/51/89/12/416518912.db2.gz AVUWCZXOAJFGBN-UHFFFAOYSA-N 1 3 281.403 3.201 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682070726 543819136 /nfs/dbraw/zinc/81/91/36/543819136.db2.gz FYMNDBDYIQAPGS-UHFFFAOYSA-N 1 3 285.435 3.474 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682070726 543819139 /nfs/dbraw/zinc/81/91/39/543819139.db2.gz FYMNDBDYIQAPGS-UHFFFAOYSA-N 1 3 285.435 3.474 20 0 CGADHO c1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000192924455 227384076 /nfs/dbraw/zinc/38/40/76/227384076.db2.gz ZSPVBKPWZIYXLC-MRXNPFEDSA-N 1 3 286.444 3.360 20 0 CGADHO C[C@H]1CC[C@@H](CN2CCC(C[NH+]3CCCCCC3)CC2)O1 ZINC000682755279 543865196 /nfs/dbraw/zinc/86/51/96/543865196.db2.gz FBDWJVZZCBRSHA-WMZOPIPTSA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683769746 543939676 /nfs/dbraw/zinc/93/96/76/543939676.db2.gz ZVXWPKSWRYKTIT-KRWDZBQOSA-N 1 3 297.446 3.445 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000683789055 543942890 /nfs/dbraw/zinc/94/28/90/543942890.db2.gz WDNFWZLBAPMVOP-NVXWUHKLSA-N 1 3 258.409 3.090 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000683789055 543942892 /nfs/dbraw/zinc/94/28/92/543942892.db2.gz WDNFWZLBAPMVOP-NVXWUHKLSA-N 1 3 258.409 3.090 20 0 CGADHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC000683789055 543942895 /nfs/dbraw/zinc/94/28/95/543942895.db2.gz WDNFWZLBAPMVOP-NVXWUHKLSA-N 1 3 258.409 3.090 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)c(C)n1 ZINC000684559960 544013280 /nfs/dbraw/zinc/01/32/80/544013280.db2.gz CBTIUZBWWOHWRE-GTPINHCMSA-N 1 3 287.451 3.366 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000684394102 543992753 /nfs/dbraw/zinc/99/27/53/543992753.db2.gz WYOZZFNEGOSUCF-NBOOPKSLSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@H](OCC[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000650741596 418935951 /nfs/dbraw/zinc/93/59/51/418935951.db2.gz GYWYFVHMNOEQFX-SQNIBIBYSA-N 1 3 290.451 3.261 20 0 CGADHO CC[C@H](OCCN[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000650741596 418935954 /nfs/dbraw/zinc/93/59/54/418935954.db2.gz GYWYFVHMNOEQFX-SQNIBIBYSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000658357914 418949656 /nfs/dbraw/zinc/94/96/56/418949656.db2.gz RSTSFHVFVOPLJA-ZDUSSCGKSA-N 1 3 262.397 3.052 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000652306793 418950985 /nfs/dbraw/zinc/95/09/85/418950985.db2.gz CWNGRINUFUSHCY-RCCFBDPRSA-N 1 3 272.436 3.211 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000652306793 418950987 /nfs/dbraw/zinc/95/09/87/418950987.db2.gz CWNGRINUFUSHCY-RCCFBDPRSA-N 1 3 272.436 3.211 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659975457 419050022 /nfs/dbraw/zinc/05/00/22/419050022.db2.gz LQOIXSSGOYFJLD-LTIDMASMSA-N 1 3 264.457 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659975457 419050029 /nfs/dbraw/zinc/05/00/29/419050029.db2.gz LQOIXSSGOYFJLD-LTIDMASMSA-N 1 3 264.457 3.086 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000655743602 419085214 /nfs/dbraw/zinc/08/52/14/419085214.db2.gz IKQXQTHOGGIHTI-JKSUJKDBSA-N 1 3 271.408 3.130 20 0 CGADHO Cc1ccc([C@@H]([NH2+]CC2(N)CCCC2)C2CC2)cc1 ZINC000665248112 419089705 /nfs/dbraw/zinc/08/97/05/419089705.db2.gz PKVLMCAEOLVASZ-MRXNPFEDSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@@H](NCC1([NH3+])CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000665246910 419089832 /nfs/dbraw/zinc/08/98/32/419089832.db2.gz REWGMSVAUZMZLM-KBMXLJTQSA-N 1 3 258.409 3.040 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000665246967 419089962 /nfs/dbraw/zinc/08/99/62/419089962.db2.gz SCMDPKFHNCQWKF-IPMKNSEASA-N 1 3 286.463 3.356 20 0 CGADHO Cc1ccc(C[C@@H](NCC2([NH3+])CCCC2)C2CC2)cc1 ZINC000665248428 419092452 /nfs/dbraw/zinc/09/24/52/419092452.db2.gz WVGSLVKVMBETIH-QGZVFWFLSA-N 1 3 272.436 3.177 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@H]2C[C@H](N)c3ccccc32)C1(F)F ZINC000665274629 419097850 /nfs/dbraw/zinc/09/78/50/419097850.db2.gz URPSTVZZDJUINS-AVGNSLFASA-N 1 3 266.335 3.012 20 0 CGADHO CCC[C@@H]([NH2+]CC12CC(C1)CN2)C1CCCCC1 ZINC000665276845 419099293 /nfs/dbraw/zinc/09/92/93/419099293.db2.gz NXXGAZUEIVOYGJ-OGVSOVDVSA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@@H](NCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000665276845 419099296 /nfs/dbraw/zinc/09/92/96/419099296.db2.gz NXXGAZUEIVOYGJ-OGVSOVDVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@@H](C)c1ccc(Cl)cc1 ZINC000665279337 419100976 /nfs/dbraw/zinc/10/09/76/419100976.db2.gz AODSCQOBTUQWPH-LFOFOYIVSA-N 1 3 278.827 3.174 20 0 CGADHO Clc1ccc([C@H]2CC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279559 419101231 /nfs/dbraw/zinc/10/12/31/419101231.db2.gz GCPDKMMEIXCAOC-ORTQGIPQSA-N 1 3 290.838 3.318 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1cccc(OC)c1 ZINC000665280616 419101558 /nfs/dbraw/zinc/10/15/58/419101558.db2.gz HRYVRBGSUGVYFV-HZPDHXFCSA-N 1 3 264.413 3.109 20 0 CGADHO COc1cc(C)c([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1OC ZINC000665280769 419102100 /nfs/dbraw/zinc/10/21/00/419102100.db2.gz KUWBLFDLYAZJNJ-DZGCQCFKSA-N 1 3 294.439 3.036 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCc2cc(F)ccc21 ZINC000665281609 419103325 /nfs/dbraw/zinc/10/33/25/419103325.db2.gz HVDWFPCNNAXHQY-CVEARBPZSA-N 1 3 264.388 3.166 20 0 CGADHO CC1(C)C[C@]1(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000665299841 419111969 /nfs/dbraw/zinc/11/19/69/419111969.db2.gz UHKZUURQRBMMMS-RZRMAFQFSA-N 1 3 284.447 3.227 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC[C@H]2C)CS1 ZINC000655682960 419063595 /nfs/dbraw/zinc/06/35/95/419063595.db2.gz OCNBQZNOINFZTP-RBSFLKMASA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)CS1 ZINC000655682960 419063599 /nfs/dbraw/zinc/06/35/99/419063599.db2.gz OCNBQZNOINFZTP-RBSFLKMASA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@@H](NCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000655682960 419063603 /nfs/dbraw/zinc/06/36/03/419063603.db2.gz OCNBQZNOINFZTP-RBSFLKMASA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CC[C@@H](C)SC1)C(C)C ZINC000655717914 419075259 /nfs/dbraw/zinc/07/52/59/419075259.db2.gz GAKOHKQHQNCLRM-HUUCEWRRSA-N 1 3 272.502 3.369 20 0 CGADHO Cc1cnc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)c(C)c1 ZINC000656199699 419147987 /nfs/dbraw/zinc/14/79/87/419147987.db2.gz BCGXQXQNGWIXJW-IAGOWNOFSA-N 1 3 289.467 3.141 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657294047 419244796 /nfs/dbraw/zinc/24/47/96/419244796.db2.gz BEIWUTGCPDIJMP-UHFFFAOYSA-N 1 3 285.435 3.440 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000666228876 419199889 /nfs/dbraw/zinc/19/98/89/419199889.db2.gz YHDNZHKHYVCONF-RISCZKNCSA-N 1 3 272.383 3.027 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000666228876 419199892 /nfs/dbraw/zinc/19/98/92/419199892.db2.gz YHDNZHKHYVCONF-RISCZKNCSA-N 1 3 272.383 3.027 20 0 CGADHO Cc1ccc(F)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656783950 419218789 /nfs/dbraw/zinc/21/87/89/419218789.db2.gz BKIMNNGXTODICC-MRXNPFEDSA-N 1 3 290.426 3.346 20 0 CGADHO NC1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CCCC1 ZINC000656788437 419219442 /nfs/dbraw/zinc/21/94/42/419219442.db2.gz PGUWGYKIWKAJCN-UHFFFAOYSA-N 1 3 281.403 3.110 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@H]2c2ccc(F)cc2)CCCC1 ZINC000656789471 419220358 /nfs/dbraw/zinc/22/03/58/419220358.db2.gz OJPAFBHPJUGTPG-JKSUJKDBSA-N 1 3 276.399 3.323 20 0 CGADHO CC(C)[C@H](CNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656789745 419220413 /nfs/dbraw/zinc/22/04/13/419220413.db2.gz WVFCJATZXPLEOP-INIZCTEOSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@@H](CCc1ccccc1F)NCC1([NH3+])CCCC1 ZINC000656789137 419221442 /nfs/dbraw/zinc/22/14/42/419221442.db2.gz KLZQIPQOMNKEGY-ZDUSSCGKSA-N 1 3 264.388 3.008 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cscc2Cl)C1 ZINC000657182797 419229992 /nfs/dbraw/zinc/22/99/92/419229992.db2.gz UVCKTOUXXWXJET-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cscc2Cl)C1 ZINC000657182797 419229996 /nfs/dbraw/zinc/22/99/96/419229996.db2.gz UVCKTOUXXWXJET-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838499 419302937 /nfs/dbraw/zinc/30/29/37/419302937.db2.gz GFLFXOIAXVRIJQ-OAGGEKHMSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838499 419302939 /nfs/dbraw/zinc/30/29/39/419302939.db2.gz GFLFXOIAXVRIJQ-OAGGEKHMSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838499 419302941 /nfs/dbraw/zinc/30/29/41/419302941.db2.gz GFLFXOIAXVRIJQ-OAGGEKHMSA-N 1 3 294.483 3.187 20 0 CGADHO c1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967278 419317100 /nfs/dbraw/zinc/31/71/00/419317100.db2.gz CTDUPWJFVQHYIQ-UAFMIMERSA-N 1 3 296.458 3.370 20 0 CGADHO c1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967278 419317102 /nfs/dbraw/zinc/31/71/02/419317102.db2.gz CTDUPWJFVQHYIQ-UAFMIMERSA-N 1 3 296.458 3.370 20 0 CGADHO CC(C)CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000151769794 287522016 /nfs/dbraw/zinc/52/20/16/287522016.db2.gz GXNCGPNXQGEUAP-OAHLLOKOSA-N 1 3 278.440 3.324 20 0 CGADHO CC1(C)OCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657785833 419350359 /nfs/dbraw/zinc/35/03/59/419350359.db2.gz ICOXTFWLWDSJBN-HNNXBMFYSA-N 1 3 294.483 3.188 20 0 CGADHO CCCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000662313174 419390467 /nfs/dbraw/zinc/39/04/67/419390467.db2.gz KNJWLRSCXCXUPM-HNNXBMFYSA-N 1 3 278.415 3.427 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000657870778 419395632 /nfs/dbraw/zinc/39/56/32/419395632.db2.gz FXUBLEXWEVWMGV-OLZOCXBDSA-N 1 3 276.415 3.376 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662238741 419369270 /nfs/dbraw/zinc/36/92/70/419369270.db2.gz VIDFAPAUQYZERV-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662238741 419369272 /nfs/dbraw/zinc/36/92/72/419369272.db2.gz VIDFAPAUQYZERV-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](C1CC1)[N@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000662252739 419374311 /nfs/dbraw/zinc/37/43/11/419374311.db2.gz SPXDPJRMWVBLAN-CYBMUJFWSA-N 1 3 270.420 3.095 20 0 CGADHO C[C@H](C1CC1)[N@@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000662252739 419374314 /nfs/dbraw/zinc/37/43/14/419374314.db2.gz SPXDPJRMWVBLAN-CYBMUJFWSA-N 1 3 270.420 3.095 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662264763 419375471 /nfs/dbraw/zinc/37/54/71/419375471.db2.gz LBFPLNANMJIGQD-MGPQQGTHSA-N 1 3 274.399 3.132 20 0 CGADHO CCOC1CCC([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000657827536 419375557 /nfs/dbraw/zinc/37/55/57/419375557.db2.gz MUQNXHKEGGFWNA-UHFFFAOYSA-N 1 3 290.451 3.186 20 0 CGADHO CC(C)N(Cc1ccccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000662259872 419375537 /nfs/dbraw/zinc/37/55/37/419375537.db2.gz CYNINHBQMBNONC-UHFFFAOYSA-N 1 3 295.430 3.138 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264472 419376076 /nfs/dbraw/zinc/37/60/76/419376076.db2.gz DNBJFDMSEWJLMJ-ZFWWWQNUSA-N 1 3 260.425 3.153 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000657840793 419383874 /nfs/dbraw/zinc/38/38/74/419383874.db2.gz JYENCWQHZIHXEA-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1=CCN(C)CC1 ZINC000657940972 419454634 /nfs/dbraw/zinc/45/46/34/419454634.db2.gz PEJSQYYPLKXGRW-MRXNPFEDSA-N 1 3 298.474 3.348 20 0 CGADHO C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663345901 419567814 /nfs/dbraw/zinc/56/78/14/419567814.db2.gz OFGZKGCRCZUASH-MRXNPFEDSA-N 1 3 276.468 3.421 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164686 419632489 /nfs/dbraw/zinc/63/24/89/419632489.db2.gz OHDSZOLPXAFQIM-QZTJIDSGSA-N 1 3 287.451 3.072 20 0 CGADHO C([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCCCC1 ZINC000663347662 419569593 /nfs/dbraw/zinc/56/95/93/419569593.db2.gz ROKCCZMJECXFNZ-KRWDZBQOSA-N 1 3 264.457 3.278 20 0 CGADHO FC1(F)CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663343774 419569628 /nfs/dbraw/zinc/56/96/28/419569628.db2.gz FCHAXWTUKWLULB-CQSZACIVSA-N 1 3 286.410 3.276 20 0 CGADHO CCSc1cccc(CNCC[C@@H]([NH3+])C(C)C)c1 ZINC000663504158 419639241 /nfs/dbraw/zinc/63/92/41/419639241.db2.gz WYDFOHCSRVAOMW-OAHLLOKOSA-N 1 3 266.454 3.262 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccncc1 ZINC000663466132 419614585 /nfs/dbraw/zinc/61/45/85/419614585.db2.gz OMCBRCQUDHRLFB-AEFFLSMTSA-N 1 3 287.451 3.244 20 0 CGADHO C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663466034 419617433 /nfs/dbraw/zinc/61/74/33/419617433.db2.gz NFNQJOKUIWKTCS-QAPCUYQASA-N 1 3 276.468 3.277 20 0 CGADHO CCC[C@@H](CC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468492 419620982 /nfs/dbraw/zinc/62/09/82/419620982.db2.gz LKRPYWWGXADJSQ-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]CCC(C)(C)F)c1cccc(OCCN(C)C)c1 ZINC000658192293 419652981 /nfs/dbraw/zinc/65/29/81/419652981.db2.gz FNOZEQLYEJLGFL-AWEZNQCLSA-N 1 3 296.430 3.416 20 0 CGADHO CCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000322950266 260030745 /nfs/dbraw/zinc/03/07/45/260030745.db2.gz SMVPBQPYSUUXAB-ALOPSCKCSA-N 1 3 288.435 3.190 20 0 CGADHO CC(F)(F)CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000390113765 262128883 /nfs/dbraw/zinc/12/88/83/262128883.db2.gz YRDXLLYXONZVQB-STQMWFEESA-N 1 3 254.324 3.156 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000043533648 270034654 /nfs/dbraw/zinc/03/46/54/270034654.db2.gz YFLYRKSWOKJQKP-KBAYOESNSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000043533648 270034655 /nfs/dbraw/zinc/03/46/55/270034655.db2.gz YFLYRKSWOKJQKP-KBAYOESNSA-N 1 3 272.436 3.397 20 0 CGADHO Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000044534282 270035790 /nfs/dbraw/zinc/03/57/90/270035790.db2.gz UJKJGYTWEHJTNU-GXTWGEPZSA-N 1 3 266.454 3.357 20 0 CGADHO Cc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534282 270035792 /nfs/dbraw/zinc/03/57/92/270035792.db2.gz UJKJGYTWEHJTNU-GXTWGEPZSA-N 1 3 266.454 3.357 20 0 CGADHO Cc1cncc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000184260856 270057927 /nfs/dbraw/zinc/05/79/27/270057927.db2.gz KDULUDGBYGCTPC-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194021536 270080808 /nfs/dbraw/zinc/08/08/08/270080808.db2.gz SAOXLVGIBXIZBX-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218952437 270085593 /nfs/dbraw/zinc/08/55/93/270085593.db2.gz RTRBEQAHMHFMDQ-CHWSQXEVSA-N 1 3 280.378 3.427 20 0 CGADHO C[C@H](C[NH2+]CC1Cc2ccccc2C1)CN1CCCCC1 ZINC000522044735 270104154 /nfs/dbraw/zinc/10/41/54/270104154.db2.gz JBMUWACTGNXMSC-MRXNPFEDSA-N 1 3 286.463 3.113 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527637690 270130267 /nfs/dbraw/zinc/13/02/67/270130267.db2.gz KXAQZZFPYZAKOL-CHWSQXEVSA-N 1 3 274.399 3.274 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527637690 270130268 /nfs/dbraw/zinc/13/02/68/270130268.db2.gz KXAQZZFPYZAKOL-CHWSQXEVSA-N 1 3 274.399 3.274 20 0 CGADHO C/C(Cl)=C\CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000528370618 270162633 /nfs/dbraw/zinc/16/26/33/270162633.db2.gz GRJIASZHKCKFNJ-WLRTZDKTSA-N 1 3 258.837 3.181 20 0 CGADHO C/C(Cl)=C\CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000528370618 270162634 /nfs/dbraw/zinc/16/26/34/270162634.db2.gz GRJIASZHKCKFNJ-WLRTZDKTSA-N 1 3 258.837 3.181 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529528563 270182764 /nfs/dbraw/zinc/18/27/64/270182764.db2.gz JZRIYGACPDUWAH-QGZVFWFLSA-N 1 3 285.435 3.474 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529528563 270182765 /nfs/dbraw/zinc/18/27/65/270182765.db2.gz JZRIYGACPDUWAH-QGZVFWFLSA-N 1 3 285.435 3.474 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCNC34CCC4)C2)cc1 ZINC000530214862 270195695 /nfs/dbraw/zinc/19/56/95/270195695.db2.gz DGOJVTHSECGBQF-OKZBNKHCSA-N 1 3 284.447 3.272 20 0 CGADHO C[C@@H](CN(C)C[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249278 270197536 /nfs/dbraw/zinc/19/75/36/270197536.db2.gz UOVSZMRYFASFNP-HOCLYGCPSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H](Cc1ccsc1)NC1CC([NH+]2CCCCC2)C1 ZINC000530287219 270198436 /nfs/dbraw/zinc/19/84/36/270198436.db2.gz INMDELSHSDBNOJ-JEYLPNPQSA-N 1 3 278.465 3.286 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734654 270219173 /nfs/dbraw/zinc/21/91/73/270219173.db2.gz ZPHMQQICKJSSLW-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734654 270219174 /nfs/dbraw/zinc/21/91/74/270219174.db2.gz ZPHMQQICKJSSLW-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCCc2ccc(Cl)cc21)[C@H](C)N ZINC000423435914 274261289 /nfs/dbraw/zinc/26/12/89/274261289.db2.gz DUPVZPNNHCSEHL-RWSFTLGLSA-N 1 3 266.816 3.433 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000414805794 275738317 /nfs/dbraw/zinc/73/83/17/275738317.db2.gz PSJSWDMGHDYFNL-SJORKVTESA-N 1 3 260.425 3.070 20 0 CGADHO CC(F)(F)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423131684 275800473 /nfs/dbraw/zinc/80/04/73/275800473.db2.gz IBSGXNNALYPWMG-HIFRSBDPSA-N 1 3 282.378 3.405 20 0 CGADHO CCCC1CCC(C[NH2+]C[C@H]2CCCNC2)CC1 ZINC000414822253 275968914 /nfs/dbraw/zinc/96/89/14/275968914.db2.gz CMBJPKGGDURKLJ-GPANFISMSA-N 1 3 252.446 3.182 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000251748297 276028692 /nfs/dbraw/zinc/02/86/92/276028692.db2.gz DBAUQCGJKJOPND-QXSJWSMHSA-N 1 3 252.446 3.036 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC1CCOCC1 ZINC000423146902 276811479 /nfs/dbraw/zinc/81/14/79/276811479.db2.gz QKVPURRZHBANDX-RCCFBDPRSA-N 1 3 294.483 3.094 20 0 CGADHO C[NH+]1CCC(C)(CN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000272532998 277025556 /nfs/dbraw/zinc/02/55/56/277025556.db2.gz JNPXEFSOOOTROM-OAHLLOKOSA-N 1 3 294.389 3.274 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000414210275 277238562 /nfs/dbraw/zinc/23/85/62/277238562.db2.gz UGRPFYQKYMPPHD-XYJFISCASA-N 1 3 296.499 3.292 20 0 CGADHO C[NH2+]CCCN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000435872193 277267682 /nfs/dbraw/zinc/26/76/82/277267682.db2.gz XDDFPFZEIZNDIV-KRWDZBQOSA-N 1 3 276.424 3.222 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@H](N)CC(C)C ZINC000415088805 277333319 /nfs/dbraw/zinc/33/33/19/277333319.db2.gz MLWOPZVSDFETOJ-WQVCFCJDSA-N 1 3 298.858 3.379 20 0 CGADHO CC(C)C1CCC([N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000232544590 277340517 /nfs/dbraw/zinc/34/05/17/277340517.db2.gz PIMBOLTVQVTQBH-QQFBHYJXSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C1CCC([N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000232544590 277340518 /nfs/dbraw/zinc/34/05/18/277340518.db2.gz PIMBOLTVQVTQBH-QQFBHYJXSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000361315613 277366491 /nfs/dbraw/zinc/36/64/91/277366491.db2.gz LOYMVFBWVZSXHL-JZXOWHBKSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361315613 277366492 /nfs/dbraw/zinc/36/64/92/277366492.db2.gz LOYMVFBWVZSXHL-JZXOWHBKSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315613 277366493 /nfs/dbraw/zinc/36/64/93/277366493.db2.gz LOYMVFBWVZSXHL-JZXOWHBKSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060052 277390141 /nfs/dbraw/zinc/39/01/41/277390141.db2.gz VDKBNKUYWCKHLI-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)=CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000393907488 288000919 /nfs/dbraw/zinc/00/09/19/288000919.db2.gz IZXABYHTRPTYBN-OALUTQOASA-N 1 3 284.447 3.407 20 0 CGADHO CC(C)=CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000393907488 288000921 /nfs/dbraw/zinc/00/09/21/288000921.db2.gz IZXABYHTRPTYBN-OALUTQOASA-N 1 3 284.447 3.407 20 0 CGADHO C[C@H](CN1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653803 278194632 /nfs/dbraw/zinc/19/46/32/278194632.db2.gz IJAVNKCMUFJXPD-NEPJUHHUSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653803 278194634 /nfs/dbraw/zinc/19/46/34/278194634.db2.gz IJAVNKCMUFJXPD-NEPJUHHUSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653803 278194635 /nfs/dbraw/zinc/19/46/35/278194635.db2.gz IJAVNKCMUFJXPD-NEPJUHHUSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](C[NH2+]C1CCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414784625 278207941 /nfs/dbraw/zinc/20/79/41/278207941.db2.gz SVOSNLAOZFZYMI-LLVKDONJSA-N 1 3 286.341 3.151 20 0 CGADHO C[C@H](CNC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414784625 278207942 /nfs/dbraw/zinc/20/79/42/278207942.db2.gz SVOSNLAOZFZYMI-LLVKDONJSA-N 1 3 286.341 3.151 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)s1 ZINC000397281355 288022565 /nfs/dbraw/zinc/02/25/65/288022565.db2.gz APMPDIZUMOMZMD-PGUXBMHVSA-N 1 3 266.454 3.170 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C\c2ccccc2)C[C@@H]1C[NH3+] ZINC000397399768 288023337 /nfs/dbraw/zinc/02/33/37/288023337.db2.gz QPIUGDQNVBMDPD-KCOYDGFKSA-N 1 3 258.409 3.005 20 0 CGADHO CC(C)CSCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000397459634 288023843 /nfs/dbraw/zinc/02/38/43/288023843.db2.gz QDDUVINPGRKGJV-ARFHVFGLSA-N 1 3 284.513 3.276 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1cc2c(s1)CCCC2 ZINC000335569311 278337119 /nfs/dbraw/zinc/33/71/19/278337119.db2.gz UVIUNRQFDLVVLW-LLVKDONJSA-N 1 3 264.438 3.030 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)[C@@H]1CCCOC1 ZINC000356879437 278344308 /nfs/dbraw/zinc/34/43/08/278344308.db2.gz TVOTWHYWQSDQET-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423256709 278348554 /nfs/dbraw/zinc/34/85/54/278348554.db2.gz FUOGVUUNEQUPAI-CHWSQXEVSA-N 1 3 293.480 3.062 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCSC3)CC2)C1 ZINC000448029808 278498907 /nfs/dbraw/zinc/49/89/07/278498907.db2.gz RACIHVZAZXNGAY-BFYDXBDKSA-N 1 3 296.524 3.372 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1ccccc1F ZINC000163828351 288058939 /nfs/dbraw/zinc/05/89/39/288058939.db2.gz IXGIAUNZXBYXFE-WFASDCNBSA-N 1 3 252.377 3.207 20 0 CGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423218587 288060367 /nfs/dbraw/zinc/06/03/67/288060367.db2.gz RXZPCGDQZWNDFV-QRTARXTBSA-N 1 3 276.424 3.124 20 0 CGADHO C1=C(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423054052 288062862 /nfs/dbraw/zinc/06/28/62/288062862.db2.gz UCTCSLSBPWRFMZ-OKZBNKHCSA-N 1 3 292.467 3.014 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccc(Cl)c1 ZINC000261565191 288070469 /nfs/dbraw/zinc/07/04/69/288070469.db2.gz HRQGTMKKMXMCJS-BYCMXARLSA-N 1 3 266.816 3.379 20 0 CGADHO CC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C1CCCC1 ZINC000423154802 288081103 /nfs/dbraw/zinc/08/11/03/288081103.db2.gz JVMLAAUEOAXTHJ-DYVFJYSZSA-N 1 3 275.440 3.468 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000507498107 279097461 /nfs/dbraw/zinc/09/74/61/279097461.db2.gz UEFSVDANLKVJEL-ROUUACIJSA-N 1 3 297.531 3.064 20 0 CGADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000226436636 279219457 /nfs/dbraw/zinc/21/94/57/279219457.db2.gz RIIPNCPADKUHKS-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](CCCC(F)(F)F)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414939716 279254157 /nfs/dbraw/zinc/25/41/57/279254157.db2.gz ZXPOVLFCTKJRSL-NEPJUHHUSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCCS1 ZINC000251209845 279367478 /nfs/dbraw/zinc/36/74/78/279367478.db2.gz MFWPHTUFGZMUNB-QLFBSQMISA-N 1 3 270.486 3.173 20 0 CGADHO C[C@H](Cc1cccs1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131990643 279383411 /nfs/dbraw/zinc/38/34/11/279383411.db2.gz QUZWVQFHCJBIDQ-XFBWCDHKSA-N 1 3 272.417 3.414 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2cc(Br)ccc21 ZINC000422932422 279401979 /nfs/dbraw/zinc/40/19/79/279401979.db2.gz FRVCONOUPQZNEX-PKFCDNJMSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000359317432 288160099 /nfs/dbraw/zinc/16/00/99/288160099.db2.gz WBHQPAOUYHJLRJ-CYGHRXIMSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000422745522 280183457 /nfs/dbraw/zinc/18/34/57/280183457.db2.gz VIVFDIRWSGXEQT-RHSMWYFYSA-N 1 3 285.435 3.310 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000339408201 280238983 /nfs/dbraw/zinc/23/89/83/280238983.db2.gz RJTRQPQCDQGJQY-BHYGNILZSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000339408201 280238985 /nfs/dbraw/zinc/23/89/85/280238985.db2.gz RJTRQPQCDQGJQY-BHYGNILZSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000339408201 280238986 /nfs/dbraw/zinc/23/89/86/280238986.db2.gz RJTRQPQCDQGJQY-BHYGNILZSA-N 1 3 260.425 3.095 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422872121 280303610 /nfs/dbraw/zinc/30/36/10/280303610.db2.gz FTUYLNDJEXVVMX-IOASZLSFSA-N 1 3 261.413 3.078 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000376675274 280329327 /nfs/dbraw/zinc/32/93/27/280329327.db2.gz XYSZENXFSNATSV-UTSKFRMZSA-N 1 3 264.457 3.418 20 0 CGADHO CC1(C)CC[C@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000373257072 281130514 /nfs/dbraw/zinc/13/05/14/281130514.db2.gz SGWFEYVJOLIMGZ-HNNXBMFYSA-N 1 3 250.430 3.125 20 0 CGADHO CC1(C)CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000373257072 281130516 /nfs/dbraw/zinc/13/05/16/281130516.db2.gz SGWFEYVJOLIMGZ-HNNXBMFYSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000449477224 281285531 /nfs/dbraw/zinc/28/55/31/281285531.db2.gz OPXGWXOGTBELFI-RYQLBKOJSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)OC ZINC000449477224 281285533 /nfs/dbraw/zinc/28/55/33/281285533.db2.gz OPXGWXOGTBELFI-RYQLBKOJSA-N 1 3 296.499 3.434 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000331378586 281377429 /nfs/dbraw/zinc/37/74/29/281377429.db2.gz LYJPJGPFCGGUSZ-IACUBPJLSA-N 1 3 262.397 3.010 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000531699754 288340731 /nfs/dbraw/zinc/34/07/31/288340731.db2.gz FVUIYVQKAZGTHR-CVEARBPZSA-N 1 3 252.446 3.443 20 0 CGADHO Clc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532449510 288361460 /nfs/dbraw/zinc/36/14/60/288361460.db2.gz KXPVQLWJPMNCFU-YVEFUNNKSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532449510 288361462 /nfs/dbraw/zinc/36/14/62/288361462.db2.gz KXPVQLWJPMNCFU-YVEFUNNKSA-N 1 3 290.838 3.401 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866498 289057722 /nfs/dbraw/zinc/05/77/22/289057722.db2.gz ZZVCAQCUBGIFEN-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866498 289057725 /nfs/dbraw/zinc/05/77/25/289057725.db2.gz ZZVCAQCUBGIFEN-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123161 289067343 /nfs/dbraw/zinc/06/73/43/289067343.db2.gz PEICUJZIMAGNJB-KDOFPFPSSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123161 289067347 /nfs/dbraw/zinc/06/73/47/289067347.db2.gz PEICUJZIMAGNJB-KDOFPFPSSA-N 1 3 272.436 3.384 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000550621115 289079149 /nfs/dbraw/zinc/07/91/49/289079149.db2.gz CLKWRFZJIMSLMC-HZPDHXFCSA-N 1 3 264.457 3.421 20 0 CGADHO Cc1cccnc1CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423153983 292719026 /nfs/dbraw/zinc/71/90/26/292719026.db2.gz OLKHHGHNZKNPBB-DLBZAZTESA-N 1 3 289.467 3.223 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552111348 289164356 /nfs/dbraw/zinc/16/43/56/289164356.db2.gz YOIMUVZVIRXQAM-ZBFHGGJFSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552111348 289164357 /nfs/dbraw/zinc/16/43/57/289164357.db2.gz YOIMUVZVIRXQAM-ZBFHGGJFSA-N 1 3 278.465 3.097 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554364282 289275967 /nfs/dbraw/zinc/27/59/67/289275967.db2.gz XJZXWZDVURQEFS-MISYRCLQSA-N 1 3 298.474 3.329 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000554875172 289316032 /nfs/dbraw/zinc/31/60/32/289316032.db2.gz VHGZTHFREHOBLA-PVAVHDDUSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccccc1Br ZINC000336656486 289464259 /nfs/dbraw/zinc/46/42/59/289464259.db2.gz LIRGWVKJGCXKAV-GHMZBOCLSA-N 1 3 285.229 3.227 20 0 CGADHO Clc1ccc(C2(C[NH2+]C[C@@H]3CCCNC3)CCC2)cc1 ZINC000415089220 294103470 /nfs/dbraw/zinc/10/34/70/294103470.db2.gz YNUJVEPBWLJICD-CQSZACIVSA-N 1 3 292.854 3.351 20 0 CGADHO Clc1ccc(C2(CNC[C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000415089220 294103475 /nfs/dbraw/zinc/10/34/75/294103475.db2.gz YNUJVEPBWLJICD-CQSZACIVSA-N 1 3 292.854 3.351 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422847210 295248716 /nfs/dbraw/zinc/24/87/16/295248716.db2.gz HSBHHPJKSSZNRT-FQUUOJAGSA-N 1 3 292.389 3.462 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C(C)C)cc1 ZINC000423396453 301594458 /nfs/dbraw/zinc/59/44/58/301594458.db2.gz NVXXDBNMCRFJFE-JQHSSLGASA-N 1 3 274.452 3.150 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422814706 303402245 /nfs/dbraw/zinc/40/22/45/303402245.db2.gz VYJIJDXLMJMODD-DOTOQJQBSA-N 1 3 272.436 3.215 20 0 CGADHO CC[NH+]1CCC(CNc2ccnc3ccc(C)cc32)CC1 ZINC000564134405 322021445 /nfs/dbraw/zinc/02/14/45/322021445.db2.gz UTLZMMBWICVVIF-UHFFFAOYSA-N 1 3 283.419 3.109 20 0 CGADHO CCc1cccnc1[C@H](C)NCC1CC[NH+](CC)CC1 ZINC000564750378 322041381 /nfs/dbraw/zinc/04/13/81/322041381.db2.gz UWIBSYOPZNKVFP-AWEZNQCLSA-N 1 3 275.440 3.027 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCCC1 ZINC000565226844 322068342 /nfs/dbraw/zinc/06/83/42/322068342.db2.gz OJAUTNOHKBDZNR-HUUCEWRRSA-N 1 3 252.446 3.452 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cnc2ccsc2c1 ZINC000565827600 322092906 /nfs/dbraw/zinc/09/29/06/322092906.db2.gz JJOQJIIHDLDIRO-SGMGOOAPSA-N 1 3 289.448 3.464 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000568248570 322200703 /nfs/dbraw/zinc/20/07/03/322200703.db2.gz VAZPZBYBFIFFST-NWANDNLSSA-N 1 3 292.423 3.014 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(C)c1 ZINC000570529572 322276006 /nfs/dbraw/zinc/27/60/06/322276006.db2.gz QSRRBRAZDOEROA-OWCLPIDISA-N 1 3 276.424 3.012 20 0 CGADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000571165632 322291791 /nfs/dbraw/zinc/29/17/91/322291791.db2.gz CDYPVRIHUUBHBP-GOSISDBHSA-N 1 3 284.403 3.395 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC000573220476 322376266 /nfs/dbraw/zinc/37/62/66/322376266.db2.gz ASHYTOZCOFVAKI-HZPDHXFCSA-N 1 3 276.399 3.008 20 0 CGADHO COc1cccc2c1CCC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000584292397 327223792 /nfs/dbraw/zinc/22/37/92/327223792.db2.gz OEGWHSUEDVIFRJ-SFHVURJKSA-N 1 3 296.414 3.321 20 0 CGADHO CCC[C@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000582573843 329109780 /nfs/dbraw/zinc/10/97/80/329109780.db2.gz VNHSHFCTQMORJI-QGZVFWFLSA-N 1 3 262.441 3.454 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000582838028 329276205 /nfs/dbraw/zinc/27/62/05/329276205.db2.gz OSYGCBSOOADJNO-INIZCTEOSA-N 1 3 292.467 3.399 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000580963186 335990669 /nfs/dbraw/zinc/99/06/69/335990669.db2.gz OTRYBWKLYLJOGC-PQEBFOHHSA-N 1 3 276.399 3.321 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(F)c(-c2cccs2)c1 ZINC000414874759 533772079 /nfs/dbraw/zinc/77/20/79/533772079.db2.gz JADJNDYRCLABFE-NSHDSACASA-N 1 3 278.396 3.239 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357866431 533813366 /nfs/dbraw/zinc/81/33/66/533813366.db2.gz DENKGRJCBIYSDA-GFCCVEGCSA-N 1 3 280.378 3.429 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC34CC4)CC2)C1 ZINC000424327349 533859312 /nfs/dbraw/zinc/85/93/12/533859312.db2.gz PPMZKSWDZZXFOO-KBMXLJTQSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC34CC4)CC2)C1 ZINC000424327349 533859323 /nfs/dbraw/zinc/85/93/23/533859323.db2.gz PPMZKSWDZZXFOO-KBMXLJTQSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423260120 533866918 /nfs/dbraw/zinc/86/69/18/533866918.db2.gz PNWLQDGYNHNPKU-NWDGAFQWSA-N 1 3 268.351 3.005 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCCC1=CC[NH2+]CC1 ZINC000423564857 533883581 /nfs/dbraw/zinc/88/35/81/533883581.db2.gz SFHPUOBPFRYPRO-GFCCVEGCSA-N 1 3 294.826 3.309 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449359448 533960539 /nfs/dbraw/zinc/96/05/39/533960539.db2.gz QGTMXWKKOGYBCW-LZLYRXPVSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H](CNCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000414901281 534058214 /nfs/dbraw/zinc/05/82/14/534058214.db2.gz FYAAMBSOJXPFKK-SWLSCSKDSA-N 1 3 266.816 3.175 20 0 CGADHO COc1ccccc1CN(CCC1CC[NH2+]CC1)C1CC1 ZINC000359228748 534062867 /nfs/dbraw/zinc/06/28/67/534062867.db2.gz XQAVSIUUROPFMK-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CN1CCCC1 ZINC000163422170 534077026 /nfs/dbraw/zinc/07/70/26/534077026.db2.gz YWLTXXZOLHCCJH-STQMWFEESA-N 1 3 280.378 3.429 20 0 CGADHO COc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C(C)C ZINC000423370891 534122221 /nfs/dbraw/zinc/12/22/21/534122221.db2.gz FYSXPGUYOIIUCB-ZACQAIPSSA-N 1 3 290.451 3.122 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)CN(C)C ZINC000425945499 534124056 /nfs/dbraw/zinc/12/40/56/534124056.db2.gz RCVOXWHCFDXESS-NXHRZFHOSA-N 1 3 274.452 3.284 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1ccccc1Cl ZINC000415081877 534202235 /nfs/dbraw/zinc/20/22/35/534202235.db2.gz CNZGSLGVWAGIAQ-JSGCOSHPSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H](Cc1ccccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000366279829 534253090 /nfs/dbraw/zinc/25/30/90/534253090.db2.gz HXQRYHXVCWNZEF-OOHWJJMZSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H](N)C(C)C ZINC000423282840 534366915 /nfs/dbraw/zinc/36/69/15/534366915.db2.gz WOGDUPMKNLYQBL-DOTOQJQBSA-N 1 3 285.435 3.427 20 0 CGADHO Oc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423398144 534454180 /nfs/dbraw/zinc/45/41/80/534454180.db2.gz UANNETXGFABOFP-IBGZPJMESA-N 1 3 294.398 3.163 20 0 CGADHO Fc1cccc(Cl)c1CCN1CCC2(C1)CC[NH2+]CC2 ZINC000358501359 534522266 /nfs/dbraw/zinc/52/22/66/534522266.db2.gz SMIXUGVHDHTLFT-UHFFFAOYSA-N 1 3 296.817 3.097 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]C[C@H](C)CN(C)C)C2CC2)c1 ZINC000425945488 534727696 /nfs/dbraw/zinc/72/76/96/534727696.db2.gz RCRRCAOIVYSNAR-YJBOKZPZSA-N 1 3 274.452 3.103 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C2CC2)c1 ZINC000423390476 534726838 /nfs/dbraw/zinc/72/68/38/534726838.db2.gz OUROXZQNJUYYDB-KSZLIROESA-N 1 3 272.436 3.176 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C2CC2)c1 ZINC000423397724 534726961 /nfs/dbraw/zinc/72/69/61/534726961.db2.gz UWBANLIOUDXREU-QGTPRVQTSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1ccc(C)c(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000088163911 524103109 /nfs/dbraw/zinc/10/31/09/524103109.db2.gz MOOZXVRJIFUIFW-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(C)c(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088163911 524103117 /nfs/dbraw/zinc/10/31/17/524103117.db2.gz MOOZXVRJIFUIFW-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000049553464 524168174 /nfs/dbraw/zinc/16/81/74/524168174.db2.gz LORALXNFWPYGIS-OLZOCXBDSA-N 1 3 260.381 3.424 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000157769944 524922850 /nfs/dbraw/zinc/92/28/50/524922850.db2.gz FPMVUUBPVDWNSQ-SUMWQHHRSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157769944 524922857 /nfs/dbraw/zinc/92/28/57/524922857.db2.gz FPMVUUBPVDWNSQ-SUMWQHHRSA-N 1 3 258.409 3.136 20 0 CGADHO Cc1ccccc1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157466535 525116497 /nfs/dbraw/zinc/11/64/97/525116497.db2.gz SQLSKFBAHFLCDV-MSOLQXFVSA-N 1 3 266.388 3.272 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000449377335 526286048 /nfs/dbraw/zinc/28/60/48/526286048.db2.gz SEPBBVMMUXUCGY-UHFFFAOYSA-N 1 3 250.430 3.339 20 0 CGADHO C(C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)C1CCCC1 ZINC000173874262 527483221 /nfs/dbraw/zinc/48/32/21/527483221.db2.gz TZIOYQAJFGEQHO-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(C[N@H+]1CC[C@@H](CN2CCCCC2)C1)C1CCCC1 ZINC000173874262 527483225 /nfs/dbraw/zinc/48/32/25/527483225.db2.gz TZIOYQAJFGEQHO-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000173874262 527483228 /nfs/dbraw/zinc/48/32/28/527483228.db2.gz TZIOYQAJFGEQHO-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(C[NH2+][C@H]1CCC12CCC2)NC1CCCCCC1 ZINC000423264628 527484550 /nfs/dbraw/zinc/48/45/50/527484550.db2.gz AKDMNQPTKZOZDQ-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026004 527753307 /nfs/dbraw/zinc/75/33/07/527753307.db2.gz DGBJNVMJKFVQHT-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026004 527753310 /nfs/dbraw/zinc/75/33/10/527753310.db2.gz DGBJNVMJKFVQHT-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCC1([NH3+])CCC1 ZINC000423335731 527842033 /nfs/dbraw/zinc/84/20/33/527842033.db2.gz UEEPGGCOXGYMNK-CABCVRRESA-N 1 3 258.409 3.040 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423369741 527842110 /nfs/dbraw/zinc/84/21/10/527842110.db2.gz TURBXNKEELUGRK-ZACQAIPSSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000423264560 527849240 /nfs/dbraw/zinc/84/92/40/527849240.db2.gz ABDVEYXZTRRJQJ-XHSDSOJGSA-N 1 3 252.446 3.308 20 0 CGADHO CCO[C@@H]1C[C@H](NCC([NH3+])(CC)CC)C1(CC)CC ZINC000423287509 527936501 /nfs/dbraw/zinc/93/65/01/527936501.db2.gz MRTZXZBBPPZHLL-UONOGXRCSA-N 1 3 270.461 3.077 20 0 CGADHO CC(C)c1ccc2c(c1)[C@H](NC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423333589 528154604 /nfs/dbraw/zinc/15/46/04/528154604.db2.gz HUUSBSOSDQWBQO-RDTXWAMCSA-N 1 3 272.436 3.387 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423341968 528203114 /nfs/dbraw/zinc/20/31/14/528203114.db2.gz YOXWUQANPZQNGH-CYBMUJFWSA-N 1 3 262.397 3.006 20 0 CGADHO CCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000423406546 528239956 /nfs/dbraw/zinc/23/99/56/528239956.db2.gz YVYTYDXNRJLJBW-ZOBUZTSGSA-N 1 3 276.424 3.396 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1ccc(OC)cc1 ZINC000423365409 528242102 /nfs/dbraw/zinc/24/21/02/528242102.db2.gz BPXVLIPXFCNMDW-QRTARXTBSA-N 1 3 276.424 3.267 20 0 CGADHO CC(C)c1nc([C@H](C)NC[C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423482514 528313978 /nfs/dbraw/zinc/31/39/78/528313978.db2.gz XXCCRDDGAHZEQW-XQQFMLRXSA-N 1 3 281.469 3.435 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000423536957 528315523 /nfs/dbraw/zinc/31/55/23/528315523.db2.gz BIRBLBVOZWORSF-RFQIPJPRSA-N 1 3 293.480 3.305 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000422898718 528672156 /nfs/dbraw/zinc/67/21/56/528672156.db2.gz MVYLWKKFKMGBRA-WMZOPIPTSA-N 1 3 290.451 3.125 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423290219 528950035 /nfs/dbraw/zinc/95/00/35/528950035.db2.gz CLGHQXADDDEUNZ-IAOVAPTHSA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268988 529070829 /nfs/dbraw/zinc/07/08/29/529070829.db2.gz GSSCRCZCPDNLCE-RDTXWAMCSA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423269420 529071809 /nfs/dbraw/zinc/07/18/09/529071809.db2.gz HDCCCOHVFPLVSH-CABCVRRESA-N 1 3 270.367 3.235 20 0 CGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc2c(c1)OCCO2 ZINC000423289021 529156143 /nfs/dbraw/zinc/15/61/43/529156143.db2.gz VSEGQOKNRBNLSS-CQSZACIVSA-N 1 3 292.423 3.016 20 0 CGADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000459640556 534925569 /nfs/dbraw/zinc/92/55/69/534925569.db2.gz XEXMTFYRVMJSMD-MAEOIBBWSA-N 1 3 294.483 3.329 20 0 CGADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000459640556 534925572 /nfs/dbraw/zinc/92/55/72/534925572.db2.gz XEXMTFYRVMJSMD-MAEOIBBWSA-N 1 3 294.483 3.329 20 0 CGADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCCCC[C@@H]2N)C1 ZINC000422904562 535820088 /nfs/dbraw/zinc/82/00/88/535820088.db2.gz GYIAKBVZBJMRQN-IKGGRYGDSA-N 1 3 295.515 3.137 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649243 535912448 /nfs/dbraw/zinc/91/24/48/535912448.db2.gz JWTTZLZLOIUCMP-KDOFPFPSSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649243 535912451 /nfs/dbraw/zinc/91/24/51/535912451.db2.gz JWTTZLZLOIUCMP-KDOFPFPSSA-N 1 3 288.435 3.220 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000728686052 571815204 /nfs/dbraw/zinc/81/52/04/571815204.db2.gz LHGYUMLPJSJEEB-CYBMUJFWSA-N 1 3 293.282 3.232 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000728686052 571815206 /nfs/dbraw/zinc/81/52/06/571815206.db2.gz LHGYUMLPJSJEEB-CYBMUJFWSA-N 1 3 293.282 3.232 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000311874191 572349943 /nfs/dbraw/zinc/34/99/43/572349943.db2.gz ZQVDXUKFUCBTKA-YVECIDJPSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000311874191 572349952 /nfs/dbraw/zinc/34/99/52/572349952.db2.gz ZQVDXUKFUCBTKA-YVECIDJPSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794437 572603098 /nfs/dbraw/zinc/60/30/98/572603098.db2.gz DFSPFBPIDLAWTP-HZPDHXFCSA-N 1 3 282.548 3.450 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794437 572603103 /nfs/dbraw/zinc/60/31/03/572603103.db2.gz DFSPFBPIDLAWTP-HZPDHXFCSA-N 1 3 282.548 3.450 20 0 CGADHO Cc1nc([C@H](C)NCCC2CC[NH+](C)CC2)c(C)s1 ZINC000158076753 572854043 /nfs/dbraw/zinc/85/40/43/572854043.db2.gz ONFJPKUMJHIDSC-NSHDSACASA-N 1 3 281.469 3.142 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000892583226 618867755 /nfs/dbraw/zinc/86/77/55/618867755.db2.gz AQGKUBTYBBXPTP-CQSZACIVSA-N 1 3 294.414 3.133 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000892583226 618867756 /nfs/dbraw/zinc/86/77/56/618867756.db2.gz AQGKUBTYBBXPTP-CQSZACIVSA-N 1 3 294.414 3.133 20 0 CGADHO CCOCc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925538656 619036311 /nfs/dbraw/zinc/03/63/11/619036311.db2.gz VRUDMINKHSCQJG-SJORKVTESA-N 1 3 290.451 3.219 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2csc3ccccc23)C12CCC2 ZINC000925599581 619080702 /nfs/dbraw/zinc/08/07/02/619080702.db2.gz BXOWSXBYZOIHNZ-HZPDHXFCSA-N 1 3 286.444 3.303 20 0 CGADHO FC(F)(F)CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925605098 619083145 /nfs/dbraw/zinc/08/31/45/619083145.db2.gz PBNIZZGEPUCLDF-STQMWFEESA-N 1 3 278.362 3.087 20 0 CGADHO CC(C)(CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C(F)(F)F ZINC000925666476 619120039 /nfs/dbraw/zinc/12/00/39/619120039.db2.gz PRRALYWREAATGI-QWHCGFSZSA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C(F)(F)F ZINC000925666476 619120040 /nfs/dbraw/zinc/12/00/40/619120040.db2.gz PRRALYWREAATGI-QWHCGFSZSA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@@H](c2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000925682865 619131290 /nfs/dbraw/zinc/13/12/90/619131290.db2.gz GXJZEQXQOPONRF-CIRFHOKZSA-N 1 3 290.451 3.116 20 0 CGADHO FC1(F)CC(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925683971 619132414 /nfs/dbraw/zinc/13/24/14/619132414.db2.gz CHWCZVUOYCXFMR-LSDHHAIUSA-N 1 3 286.410 3.180 20 0 CGADHO CCSc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000925733111 619207282 /nfs/dbraw/zinc/20/72/82/619207282.db2.gz SIIHPXLFLGTMHH-XJKSGUPXSA-N 1 3 278.465 3.276 20 0 CGADHO CC(C)([NH3+])CCN[C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000925739326 619212645 /nfs/dbraw/zinc/21/26/45/619212645.db2.gz VZPKYOWDRMYWSM-HOTGVXAUSA-N 1 3 294.414 3.153 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c(C)s1 ZINC000925779698 619242035 /nfs/dbraw/zinc/24/20/35/619242035.db2.gz OQKXZAHTMZFKLU-PWSUYJOCSA-N 1 3 288.407 3.260 20 0 CGADHO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000317201038 619245522 /nfs/dbraw/zinc/24/55/22/619245522.db2.gz YPVVJJGYCKQNFQ-ULQDDVLXSA-N 1 3 298.434 3.032 20 0 CGADHO C[NH+]1CCC(CN2CCc3cc(Cl)ccc3C2)CC1 ZINC000893979328 619343735 /nfs/dbraw/zinc/34/37/35/619343735.db2.gz BDUQDDMJIGJWOZ-UHFFFAOYSA-N 1 3 278.827 3.040 20 0 CGADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC[C@@H](C)N(C)C ZINC000895290280 619796664 /nfs/dbraw/zinc/79/66/64/619796664.db2.gz FXRFYNGSPYEBJL-HUUCEWRRSA-N 1 3 287.451 3.419 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)N(C)C ZINC000895292379 619796878 /nfs/dbraw/zinc/79/68/78/619796878.db2.gz FSJOKRFKGUAUGJ-INMHGKMJSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000895377699 619816396 /nfs/dbraw/zinc/81/63/96/619816396.db2.gz GJJVEWNOLOBNBO-UPJWGTAASA-N 1 3 293.282 3.232 20 0 CGADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000895377699 619816398 /nfs/dbraw/zinc/81/63/98/619816398.db2.gz GJJVEWNOLOBNBO-UPJWGTAASA-N 1 3 293.282 3.232 20 0 CGADHO CCOc1ccc(CNCCC2CC[NH+](C(C)C)CC2)o1 ZINC000895764294 619882069 /nfs/dbraw/zinc/88/20/69/619882069.db2.gz HEVFMNULPXYRIG-UHFFFAOYSA-N 1 3 294.439 3.278 20 0 CGADHO CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000895765742 619882583 /nfs/dbraw/zinc/88/25/83/619882583.db2.gz RKQMBLZBELSVIZ-UHFFFAOYSA-N 1 3 294.414 3.131 20 0 CGADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000872025830 620274590 /nfs/dbraw/zinc/27/45/90/620274590.db2.gz UKEOSRQQERUQAK-STQMWFEESA-N 1 3 280.378 3.429 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000897414480 620295615 /nfs/dbraw/zinc/29/56/15/620295615.db2.gz CYAQHXXCEKLBDE-LZWOXQAQSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000897414480 620295618 /nfs/dbraw/zinc/29/56/18/620295618.db2.gz CYAQHXXCEKLBDE-LZWOXQAQSA-N 1 3 276.424 3.137 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000898308093 620509699 /nfs/dbraw/zinc/50/96/99/620509699.db2.gz NSGIBXRCMWWXAS-UHFFFAOYSA-N 1 3 273.424 3.188 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000898308093 620509701 /nfs/dbraw/zinc/50/97/01/620509701.db2.gz NSGIBXRCMWWXAS-UHFFFAOYSA-N 1 3 273.424 3.188 20 0 CGADHO Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)c1 ZINC000902462359 621336744 /nfs/dbraw/zinc/33/67/44/621336744.db2.gz VEWBLJQSFZCXJP-UVLCOCDESA-N 1 3 290.838 3.459 20 0 CGADHO CC(C)OC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903217124 621632118 /nfs/dbraw/zinc/63/21/18/621632118.db2.gz PRUFCUNJWMBUDS-ZXFUBFMLSA-N 1 3 292.467 3.082 20 0 CGADHO CC(C)OC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903217124 621632120 /nfs/dbraw/zinc/63/21/20/621632120.db2.gz PRUFCUNJWMBUDS-ZXFUBFMLSA-N 1 3 292.467 3.082 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903354517 621712423 /nfs/dbraw/zinc/71/24/23/621712423.db2.gz OYJDMKQQMHOLRD-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903354517 621712426 /nfs/dbraw/zinc/71/24/26/621712426.db2.gz OYJDMKQQMHOLRD-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379983 621722295 /nfs/dbraw/zinc/72/22/95/621722295.db2.gz JKRCUAZOYJODJJ-OIISXLGYSA-N 1 3 289.467 3.489 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1CCCC2(CC2)C1)c1cccnc1 ZINC000903379563 621722741 /nfs/dbraw/zinc/72/27/41/621722741.db2.gz YFGCTZLRPRIBDB-IRXDYDNUSA-N 1 3 287.451 3.387 20 0 CGADHO C[C@H](NC/C=C/Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000903443362 621754170 /nfs/dbraw/zinc/75/41/70/621754170.db2.gz GSANMGVKJHRBGC-FAFAAHBOSA-N 1 3 282.815 3.030 20 0 CGADHO Cc1ccc(C)c(C2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000903875016 621824860 /nfs/dbraw/zinc/82/48/60/621824860.db2.gz LFWZGUCVRKVCTK-INIZCTEOSA-N 1 3 272.436 3.092 20 0 CGADHO CCCCCC[C@@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972691 621843593 /nfs/dbraw/zinc/84/35/93/621843593.db2.gz JZTNMKRNUDWXLJ-HZPDHXFCSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@H](CN(C)C[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904315404 621903993 /nfs/dbraw/zinc/90/39/93/621903993.db2.gz BOZUFDVOZVIZSC-WBVHZDCISA-N 1 3 260.425 3.112 20 0 CGADHO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904322051 621906017 /nfs/dbraw/zinc/90/60/17/621906017.db2.gz NINDYLDMWGDDGB-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904322051 621906023 /nfs/dbraw/zinc/90/60/23/621906023.db2.gz NINDYLDMWGDDGB-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H](N)CC(C)C)cc1C ZINC000904389848 621916033 /nfs/dbraw/zinc/91/60/33/621916033.db2.gz WIQIBCJBKDGEAH-ZFWWWQNUSA-N 1 3 264.413 3.028 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)CN1CCCC1 ZINC000062077914 623197995 /nfs/dbraw/zinc/19/79/95/623197995.db2.gz JWTLLPGHYWNTJJ-SJORKVTESA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)N1CCCCC1 ZINC000921989509 625954699 /nfs/dbraw/zinc/95/46/99/625954699.db2.gz FPEVXBYYRLUDCO-XMTFNYHQSA-N 1 3 294.483 3.046 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2cc(C)cc(C)n2)CC1 ZINC000929274882 625979564 /nfs/dbraw/zinc/97/95/64/625979564.db2.gz CLUDNWSMIYDLED-UHFFFAOYSA-N 1 3 289.467 3.252 20 0 CGADHO CCc1nocc1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922503746 626009908 /nfs/dbraw/zinc/00/99/08/626009908.db2.gz JWXDUHMQVDTNKQ-UHFFFAOYSA-N 1 3 291.439 3.124 20 0 CGADHO C[NH+](C)CC[C@@H](NC[C@@H]1CC=CCC1)c1cccnc1 ZINC000922629068 626022278 /nfs/dbraw/zinc/02/22/78/626022278.db2.gz HSBASWYPWWPDBR-NVXWUHKLSA-N 1 3 273.424 3.020 20 0 CGADHO C[C@]1(Cc2cccs2)CCC[N@@H+]1CCCNC1CC1 ZINC000923531754 626161346 /nfs/dbraw/zinc/16/13/46/626161346.db2.gz UYNPUXGPVXNIDY-MRXNPFEDSA-N 1 3 278.465 3.287 20 0 CGADHO C[C@]1(Cc2cccs2)CCC[N@H+]1CCCNC1CC1 ZINC000923531754 626161349 /nfs/dbraw/zinc/16/13/49/626161349.db2.gz UYNPUXGPVXNIDY-MRXNPFEDSA-N 1 3 278.465 3.287 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccnc(Cl)c1 ZINC000765141523 627241678 /nfs/dbraw/zinc/24/16/78/627241678.db2.gz KYEIHKBPCLCKHW-LBPRGKRZSA-N 1 3 293.842 3.260 20 0 CGADHO CC[NH+]1CCC(Nc2ccnc3cc(OC)ccc32)CC1 ZINC000765455865 627250773 /nfs/dbraw/zinc/25/07/73/627250773.db2.gz JMGUIONBGBGMGY-UHFFFAOYSA-N 1 3 285.391 3.140 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000788520966 629062452 /nfs/dbraw/zinc/06/24/52/629062452.db2.gz NBCCCVNMBZTLJK-HOCLYGCPSA-N 1 3 271.408 3.130 20 0 CGADHO Cc1csc(CNCCC2CC[NH+](C(C)C)CC2)n1 ZINC000865716923 630453030 /nfs/dbraw/zinc/45/30/30/630453030.db2.gz IHOCPNRQHGMCMQ-UHFFFAOYSA-N 1 3 281.469 3.052 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@H](C)[NH3+])cc(C)c1OC(F)F ZINC000843127631 630565259 /nfs/dbraw/zinc/56/52/59/630565259.db2.gz FHHPYSPHGASOQH-RYUDHWBXSA-N 1 3 286.366 3.120 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000817893896 632230115 /nfs/dbraw/zinc/23/01/15/632230115.db2.gz HQJRBVRDMQFSSK-NEPJUHHUSA-N 1 3 263.429 3.182 20 0 CGADHO [NH3+]CCc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000817949549 632245829 /nfs/dbraw/zinc/24/58/29/632245829.db2.gz RDLIOYSQKKEEER-GOSISDBHSA-N 1 3 284.378 3.104 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000817961380 632257722 /nfs/dbraw/zinc/25/77/22/632257722.db2.gz XXJHDAKKIGWESK-AGIUHOORSA-N 1 3 258.475 3.014 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000817969879 632263133 /nfs/dbraw/zinc/26/31/33/632263133.db2.gz HDKGEZSEWNSNHX-ZNMIVQPWSA-N 1 3 276.424 3.233 20 0 CGADHO C[NH+](C)C1(C)CCC(N[C@@H]2CCCc3scnc32)CC1 ZINC000866516511 633171615 /nfs/dbraw/zinc/17/16/15/633171615.db2.gz AZPNZAQOIITHMZ-MFOWVQHXSA-N 1 3 293.480 3.373 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC23CCOCC3)CC1 ZINC000866530208 633175988 /nfs/dbraw/zinc/17/59/88/633175988.db2.gz YPXXBHMXMGVQEC-OAHLLOKOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)N1CCCCC1 ZINC000872062981 633984922 /nfs/dbraw/zinc/98/49/22/633984922.db2.gz RVVCWIYHANPEPA-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2cccc3ncccc23)[C@H](C)C1 ZINC000872124166 634046588 /nfs/dbraw/zinc/04/65/88/634046588.db2.gz GBGYKUYJPPOGDB-RHSMWYFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2cccc3ncccc23)[C@H](C)C1 ZINC000872124166 634046593 /nfs/dbraw/zinc/04/65/93/634046593.db2.gz GBGYKUYJPPOGDB-RHSMWYFYSA-N 1 3 283.419 3.055 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc2ncccc12 ZINC000872141309 634064797 /nfs/dbraw/zinc/06/47/97/634064797.db2.gz CWZAEUGKQYVSOX-MQVJKMGUSA-N 1 3 281.403 3.079 20 0 CGADHO Cc1cc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156687 634068211 /nfs/dbraw/zinc/06/82/11/634068211.db2.gz LEUNYLMMMZFCHO-RHSMWYFYSA-N 1 3 291.439 3.103 20 0 CGADHO CN(CCCCCC[NH3+])Cc1c[nH]c(-c2ccccc2)n1 ZINC000873231507 634294012 /nfs/dbraw/zinc/29/40/12/634294012.db2.gz LJJQNPYRRFSREA-UHFFFAOYSA-N 1 3 286.423 3.028 20 0 CGADHO CCCOc1cccc(CNCc2ccc(CC[NH3+])cc2)c1 ZINC000841032151 635110115 /nfs/dbraw/zinc/11/01/15/635110115.db2.gz MZPHOWOUJSDKQX-UHFFFAOYSA-N 1 3 298.430 3.266 20 0 CGADHO CCc1ncc(CN2CCC3(CC2)CC[NH+](C)CC3)s1 ZINC000877684761 635145018 /nfs/dbraw/zinc/14/50/18/635145018.db2.gz WLWQVYMQHIRHKC-UHFFFAOYSA-N 1 3 293.480 3.013 20 0 CGADHO C[C@H]([NH2+]CCCC1CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412423 635496015 /nfs/dbraw/zinc/49/60/15/635496015.db2.gz VADIJNPDGXRMFM-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO Fc1ccc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843062446 635555823 /nfs/dbraw/zinc/55/58/23/635555823.db2.gz JNCOVHDDNIHKTD-AWEZNQCLSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(SC(F)F)cc1 ZINC000843129927 635563579 /nfs/dbraw/zinc/56/35/79/635563579.db2.gz UWGDDUOSXRJVMC-NXEZZACHSA-N 1 3 274.380 3.217 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1cc2cnccc2o1 ZINC000879712270 635840832 /nfs/dbraw/zinc/84/08/32/635840832.db2.gz IMNSTKOWRCVIIS-UKRRQHHQSA-N 1 3 287.407 3.353 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cc(Cl)cs1 ZINC000844904186 635981178 /nfs/dbraw/zinc/98/11/78/635981178.db2.gz CVJKKKBUILBWQY-UHFFFAOYSA-N 1 3 280.824 3.411 20 0 CGADHO CC[NH+](CC)CCCN[C@H](C)CSC(C)(C)C ZINC000131428872 636653077 /nfs/dbraw/zinc/65/30/77/636653077.db2.gz IGXPDBPGLIICLI-CYBMUJFWSA-N 1 3 260.491 3.228 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000131428872 636653080 /nfs/dbraw/zinc/65/30/80/636653080.db2.gz IGXPDBPGLIICLI-CYBMUJFWSA-N 1 3 260.491 3.228 20 0 CGADHO [NH3+][C@@H](C[C@@H]1CCCN(Cc2ccns2)C1)C1CCCC1 ZINC000883440889 636758301 /nfs/dbraw/zinc/75/83/01/636758301.db2.gz BYVYMCXIMMLXBQ-BBRMVZONSA-N 1 3 293.480 3.263 20 0 CGADHO [NH3+][C@H](C[C@@H]1CCCN(Cc2ccns2)C1)C1CCCC1 ZINC000883440892 636758767 /nfs/dbraw/zinc/75/87/67/636758767.db2.gz BYVYMCXIMMLXBQ-XJKSGUPXSA-N 1 3 293.480 3.263 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCN1C ZINC000850539570 637113687 /nfs/dbraw/zinc/11/36/87/637113687.db2.gz DIEMFOBJDPPYPM-QZTJIDSGSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCN1C ZINC000850539568 637114115 /nfs/dbraw/zinc/11/41/15/637114115.db2.gz DIEMFOBJDPPYPM-MSOLQXFVSA-N 1 3 274.452 3.328 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885953688 637328983 /nfs/dbraw/zinc/32/89/83/637328983.db2.gz CWWWPTQUXBWXIT-HQQUCIOCSA-N 1 3 276.399 3.160 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000885969157 637337866 /nfs/dbraw/zinc/33/78/66/637337866.db2.gz LQNKEYSUUWGZME-BRWVUGGUSA-N 1 3 282.472 3.044 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCCC2CC2)CC1 ZINC000886720314 637672557 /nfs/dbraw/zinc/67/25/57/637672557.db2.gz ZQYVVNFMCNPARK-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CCC1([NH+]2CCC2)CCN(CCCC2CC2)CC1 ZINC000886720314 637672567 /nfs/dbraw/zinc/67/25/67/637672567.db2.gz ZQYVVNFMCNPARK-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc2c(c1)CCCO2 ZINC000854230005 638029047 /nfs/dbraw/zinc/02/90/47/638029047.db2.gz CQEVSZGSZHGAIR-IAGOWNOFSA-N 1 3 290.451 3.426 20 0 CGADHO CCOc1cccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000854230165 638029211 /nfs/dbraw/zinc/02/92/11/638029211.db2.gz IJRLMOKVQVDECT-CZUORRHYSA-N 1 3 264.413 3.109 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2ccccc2C(F)(F)F)C12CCC2 ZINC000925489915 638316286 /nfs/dbraw/zinc/31/62/86/638316286.db2.gz AWMJJXLVFQBNGE-UONOGXRCSA-N 1 3 298.352 3.107 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000924958746 638430561 /nfs/dbraw/zinc/43/05/61/638430561.db2.gz HHTWKGKQULAEBI-KURKYZTESA-N 1 3 296.499 3.028 20 0 CGADHO CC1(C)C[C@@H](NCCc2c(F)cccc2F)C[C@@H]([NH3+])C1 ZINC000925477618 638508947 /nfs/dbraw/zinc/50/89/47/638508947.db2.gz FNXYISFUYJJVIQ-NEPJUHHUSA-N 1 3 282.378 3.003 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc3ccccc3c2)C12CCC2 ZINC000925599449 638541385 /nfs/dbraw/zinc/54/13/85/638541385.db2.gz AUHWRUPBNCXKHJ-QZTJIDSGSA-N 1 3 280.415 3.242 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCc1cccs1 ZINC000925632643 638550297 /nfs/dbraw/zinc/55/02/97/638550297.db2.gz XERWZWMYVUGROL-KKUMJFAQSA-N 1 3 278.465 3.047 20 0 CGADHO CC1(C)[C@@H](NCCCc2cccs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632643 638550303 /nfs/dbraw/zinc/55/03/03/638550303.db2.gz XERWZWMYVUGROL-KKUMJFAQSA-N 1 3 278.465 3.047 20 0 CGADHO FC1CCC(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925713822 638576099 /nfs/dbraw/zinc/57/60/99/638576099.db2.gz UTSPTIQTFUQXGU-KMZOKZLKSA-N 1 3 282.447 3.273 20 0 CGADHO c1cncc(C[C@@H]([NH2+][C@@H]2CCNC23CCC3)C2CCCC2)c1 ZINC000925728596 638583478 /nfs/dbraw/zinc/58/34/78/638583478.db2.gz LHNYLTOSVNQEQZ-QZTJIDSGSA-N 1 3 299.462 3.057 20 0 CGADHO c1cc2c(cccc2CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[nH]1 ZINC000925731247 638586243 /nfs/dbraw/zinc/58/62/43/638586243.db2.gz ZOWKNGRMXJZCLT-IEBWSBKVSA-N 1 3 297.446 3.426 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H]1c2ccccc2CC[C@H]1F ZINC000925770303 638604366 /nfs/dbraw/zinc/60/43/66/638604366.db2.gz JGWRLXJBGMOTTK-DAXOMENPSA-N 1 3 264.388 3.119 20 0 CGADHO C[C@@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCC[NH2+]C1 ZINC000925840722 638629880 /nfs/dbraw/zinc/62/98/80/638629880.db2.gz WLQWYUSPHZSMAE-SLBVQIDZSA-N 1 3 294.389 3.013 20 0 CGADHO COc1c(C)cc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1C ZINC000858245348 638662772 /nfs/dbraw/zinc/66/27/72/638662772.db2.gz QRHMPMLHWQODOI-MRXNPFEDSA-N 1 3 290.451 3.134 20 0 CGADHO C[C@@H](NC1CC(F)(F)C1)c1cccc(C[NH+](C)C)c1 ZINC000926285958 638759211 /nfs/dbraw/zinc/75/92/11/638759211.db2.gz VUCHHYBIWWFPPR-LLVKDONJSA-N 1 3 268.351 3.197 20 0 CGADHO CCOCC(C)(C)C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926437228 638771502 /nfs/dbraw/zinc/77/15/02/638771502.db2.gz CGVVFBJSHCWVCM-UHFFFAOYSA-N 1 3 284.488 3.149 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC000926791096 638812420 /nfs/dbraw/zinc/81/24/20/638812420.db2.gz UOXCSWPEJNELIN-INIZCTEOSA-N 1 3 284.513 3.372 20 0 CGADHO C=C/C=C\CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926844318 638817138 /nfs/dbraw/zinc/81/71/38/638817138.db2.gz JSSLMVKHPOAZDY-WAYWQWQTSA-N 1 3 250.430 3.219 20 0 CGADHO Cc1ccc(OC[C@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000040496135 639894230 /nfs/dbraw/zinc/89/42/30/639894230.db2.gz WXVGTPPMAZVVCW-INIZCTEOSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250572205 640814279 /nfs/dbraw/zinc/81/42/79/640814279.db2.gz ABUIOGBQXFLYJU-QRTARXTBSA-N 1 3 276.424 3.252 20 0 CGADHO Cc1nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc2[nH]ccc21 ZINC001155549947 805590826 /nfs/dbraw/zinc/59/08/26/805590826.db2.gz PQQHWCSBZHKOOD-QAPCUYQASA-N 1 3 292.386 3.386 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453587 806406326 /nfs/dbraw/zinc/40/63/26/806406326.db2.gz JWRRHKMZCIVYOY-GUYCJALGSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453587 806406333 /nfs/dbraw/zinc/40/63/33/806406333.db2.gz JWRRHKMZCIVYOY-GUYCJALGSA-N 1 3 296.405 3.169 20 0 CGADHO COc1ccc2c(c1)CN(C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255680467 806703561 /nfs/dbraw/zinc/70/35/61/806703561.db2.gz VZJPLEIZWRZOJD-SJPCQFCGSA-N 1 3 286.419 3.026 20 0 CGADHO COc1ccc2c(c1)CN(C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255680467 806703567 /nfs/dbraw/zinc/70/35/67/806703567.db2.gz VZJPLEIZWRZOJD-SJPCQFCGSA-N 1 3 286.419 3.026 20 0 CGADHO Cc1nc2ccc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)cc2[nH]1 ZINC001163211989 806723307 /nfs/dbraw/zinc/72/33/07/806723307.db2.gz QHDXYONYSXEBEC-AEFFLSMTSA-N 1 3 292.386 3.386 20 0 CGADHO NC[C@H]1CCCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000312754142 799229158 /nfs/dbraw/zinc/22/91/58/799229158.db2.gz WNRLJFQABOARTF-OAHLLOKOSA-N 1 3 268.404 3.401 20 0 CGADHO NC[C@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000312754142 799229161 /nfs/dbraw/zinc/22/91/61/799229161.db2.gz WNRLJFQABOARTF-OAHLLOKOSA-N 1 3 268.404 3.401 20 0 CGADHO Cc1ccc(SC[C@@H](C)N(C)C[C@H](C)C[NH3+])cc1 ZINC001255755476 806737752 /nfs/dbraw/zinc/73/77/52/806737752.db2.gz LJDDZZHXIYHXES-ZIAGYGMSSA-N 1 3 266.454 3.002 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCN(CC)C1 ZINC000401475530 799555531 /nfs/dbraw/zinc/55/55/31/799555531.db2.gz LGLCJHDOXMGOFE-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798260 806758073 /nfs/dbraw/zinc/75/80/73/806758073.db2.gz YVOJLYAIFWPRFO-YTQUADARSA-N 1 3 286.463 3.200 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798260 806758076 /nfs/dbraw/zinc/75/80/76/806758076.db2.gz YVOJLYAIFWPRFO-YTQUADARSA-N 1 3 286.463 3.200 20 0 CGADHO CCC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798260 806758080 /nfs/dbraw/zinc/75/80/80/806758080.db2.gz YVOJLYAIFWPRFO-YTQUADARSA-N 1 3 286.463 3.200 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798260 806758083 /nfs/dbraw/zinc/75/80/83/806758083.db2.gz YVOJLYAIFWPRFO-YTQUADARSA-N 1 3 286.463 3.200 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405440334 799585120 /nfs/dbraw/zinc/58/51/20/799585120.db2.gz VNKIQTJUPKHCDE-DFBGVHRSSA-N 1 3 278.827 3.131 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405440346 799585132 /nfs/dbraw/zinc/58/51/32/799585132.db2.gz VNKIQTJUPKHCDE-UGFHNGPFSA-N 1 3 278.827 3.131 20 0 CGADHO CO[C@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000453131126 799633024 /nfs/dbraw/zinc/63/30/24/799633024.db2.gz ZEOXCMLSQFHWMA-HOTGVXAUSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)[C@H]1CCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962833 799743472 /nfs/dbraw/zinc/74/34/72/799743472.db2.gz PEMWZTTVNHIMPP-CQSZACIVSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)[C@H]1CCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962833 799743478 /nfs/dbraw/zinc/74/34/78/799743478.db2.gz PEMWZTTVNHIMPP-CQSZACIVSA-N 1 3 264.438 3.014 20 0 CGADHO CCC(CC)(CC)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000687980051 799743677 /nfs/dbraw/zinc/74/36/77/799743677.db2.gz TWDIVWAPDNCLJK-UHFFFAOYSA-N 1 3 266.454 3.452 20 0 CGADHO C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962934 799743758 /nfs/dbraw/zinc/74/37/58/799743758.db2.gz PQRFGHNVFLIMIT-GFCCVEGCSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@@H]1CCCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962934 799743760 /nfs/dbraw/zinc/74/37/60/799743760.db2.gz PQRFGHNVFLIMIT-GFCCVEGCSA-N 1 3 264.438 3.158 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@]23C[C@@H]2CCCC3)c2ccccc21 ZINC000693588686 799812847 /nfs/dbraw/zinc/81/28/47/799812847.db2.gz TZQLWEMDJCEXAP-NKKGCODLSA-N 1 3 256.393 3.301 20 0 CGADHO C[C@@H]1CCCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000705634858 799952248 /nfs/dbraw/zinc/95/22/48/799952248.db2.gz XWSKQSIDEKULQA-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@@H]1CCCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000705634858 799952258 /nfs/dbraw/zinc/95/22/58/799952258.db2.gz XWSKQSIDEKULQA-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(C)s1 ZINC001255943165 806791015 /nfs/dbraw/zinc/79/10/15/806791015.db2.gz JNDPSUQQEUZSSF-CYBMUJFWSA-N 1 3 268.470 3.309 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC2(C)C)CC(C)(C)C1 ZINC000708327830 799985262 /nfs/dbraw/zinc/98/52/62/799985262.db2.gz CLUYNXNAELJUCW-HZSPNIEDSA-N 1 3 252.446 3.179 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccc2ccccc2n1 ZINC001255949778 806793434 /nfs/dbraw/zinc/79/34/34/806793434.db2.gz ARSIOONSJQSSEG-MRXNPFEDSA-N 1 3 299.462 3.487 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708849732 799996098 /nfs/dbraw/zinc/99/60/98/799996098.db2.gz LUYXEEMPUDIGMW-KBMXLJTQSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708849732 799996101 /nfs/dbraw/zinc/99/61/01/799996101.db2.gz LUYXEEMPUDIGMW-KBMXLJTQSA-N 1 3 250.430 3.029 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)cc1 ZINC001255948460 806794104 /nfs/dbraw/zinc/79/41/04/806794104.db2.gz LPCZOENXBBLHFP-KGLIPLIRSA-N 1 3 263.429 3.040 20 0 CGADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CN1 ZINC000708850887 799998135 /nfs/dbraw/zinc/99/81/35/799998135.db2.gz ROKNWKIJNZYFNQ-FVQBIDKESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CN1 ZINC000708850887 799998143 /nfs/dbraw/zinc/99/81/43/799998143.db2.gz ROKNWKIJNZYFNQ-FVQBIDKESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC([N@@H+]2CC[C@H](C3CCCCC3)C2)C[C@@H](C)N1 ZINC000708851597 799998348 /nfs/dbraw/zinc/99/83/48/799998348.db2.gz VMHMTPNFGJLNPA-FMKPAKJESA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CC([N@H+]2CC[C@H](C3CCCCC3)C2)C[C@@H](C)N1 ZINC000708851597 799998354 /nfs/dbraw/zinc/99/83/54/799998354.db2.gz VMHMTPNFGJLNPA-FMKPAKJESA-N 1 3 264.457 3.418 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)c1ccc(C)cn1 ZINC001255951865 806795211 /nfs/dbraw/zinc/79/52/11/806795211.db2.gz BJFGPFMIBSAYDY-INIZCTEOSA-N 1 3 291.483 3.378 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001255950578 806795871 /nfs/dbraw/zinc/79/58/71/806795871.db2.gz ATPALHVLQJSLNI-DOTOQJQBSA-N 1 3 274.452 3.426 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1(CC2CC2)CCOCC1 ZINC001255953544 806796277 /nfs/dbraw/zinc/79/62/77/806796277.db2.gz SJODEAOVIZUCKC-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1(CC2CCC2)CCOCC1 ZINC001255953580 806796610 /nfs/dbraw/zinc/79/66/10/806796610.db2.gz SWFSTHHOMCIUTD-INIZCTEOSA-N 1 3 296.499 3.436 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)Cc1ccccn1 ZINC001255953466 806796874 /nfs/dbraw/zinc/79/68/74/806796874.db2.gz RNMOUWCNJDLOGL-OAHLLOKOSA-N 1 3 277.456 3.113 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NC(C)(C)Cc1ccccn1 ZINC001255953466 806796876 /nfs/dbraw/zinc/79/68/76/806796876.db2.gz RNMOUWCNJDLOGL-OAHLLOKOSA-N 1 3 277.456 3.113 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(Cl)c(Cl)c2)C12CCC2 ZINC000716317875 800168635 /nfs/dbraw/zinc/16/86/35/800168635.db2.gz CGUITRDDMZCVQA-ZIAGYGMSSA-N 1 3 299.245 3.395 20 0 CGADHO CSC1CCC(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000720597505 800263366 /nfs/dbraw/zinc/26/33/66/800263366.db2.gz XBPBKBMGAJRCAC-SHWKFHJASA-N 1 3 270.486 3.015 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000822128028 800459860 /nfs/dbraw/zinc/45/98/60/800459860.db2.gz LSSDBEXQLXNGNH-HZPDHXFCSA-N 1 3 264.388 3.351 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(c2ccnc3ccc(OC)cc32)C1 ZINC000892730834 800568896 /nfs/dbraw/zinc/56/88/96/800568896.db2.gz KAKWSUQZMDEJCG-CQSZACIVSA-N 1 3 299.418 3.021 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(c2ccnc3ccc(OC)cc32)C1 ZINC000892730834 800568898 /nfs/dbraw/zinc/56/88/98/800568898.db2.gz KAKWSUQZMDEJCG-CQSZACIVSA-N 1 3 299.418 3.021 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(Cl)c(Cl)c1 ZINC000925771691 800633881 /nfs/dbraw/zinc/63/38/81/800633881.db2.gz CQKUZGKRMLPFHX-OLZOCXBDSA-N 1 3 273.207 3.005 20 0 CGADHO CC(C)CC[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC001256363196 806869554 /nfs/dbraw/zinc/86/95/54/806869554.db2.gz DZWDZURTZWKXND-OAHLLOKOSA-N 1 3 252.446 3.371 20 0 CGADHO COC1CC[NH+](C2CCN([C@@H](C)CCC(C)C)CC2)CC1 ZINC001256373968 806875424 /nfs/dbraw/zinc/87/54/24/806875424.db2.gz VUWOEJWJVUVVJH-INIZCTEOSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)(C)N1CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001256573872 806919413 /nfs/dbraw/zinc/91/94/13/806919413.db2.gz PHXJFYPEIVQUOW-UHFFFAOYSA-N 1 3 274.399 3.226 20 0 CGADHO CC(C)C[NH+](CC(C)C)C1CCC(N2CCOCC2)CC1 ZINC001256689470 806948932 /nfs/dbraw/zinc/94/89/32/806948932.db2.gz VZZNKUFDYOBWJU-UHFFFAOYSA-N 1 3 296.499 3.244 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cc4ccccc4n3C)(C1)CCC2 ZINC001275413949 808935367 /nfs/dbraw/zinc/93/53/67/808935367.db2.gz MSVNPNOLBUUFTF-RBUKOAKNSA-N 1 3 297.446 3.333 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C3CCC(CC)CC3)C[C@@H]2C1 ZINC001256876231 806998962 /nfs/dbraw/zinc/99/89/62/806998962.db2.gz JXPBMGAWDYZDTJ-HPZPOOBXSA-N 1 3 264.457 3.229 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(CC)CC3)C[C@@H]2C1 ZINC001256876231 806998965 /nfs/dbraw/zinc/99/89/65/806998965.db2.gz JXPBMGAWDYZDTJ-HPZPOOBXSA-N 1 3 264.457 3.229 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC001200821078 811749232 /nfs/dbraw/zinc/74/92/32/811749232.db2.gz LTVBRGNPDSWHIT-KSLSASGISA-N 1 3 294.389 3.440 20 0 CGADHO Cc1ccc(Cl)c(CN2CCC(CC[NH3+])CC2)c1 ZINC001206506778 813338293 /nfs/dbraw/zinc/33/82/93/813338293.db2.gz PJQIUHLNIMQEEW-UHFFFAOYSA-N 1 3 266.816 3.209 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811889 813443703 /nfs/dbraw/zinc/44/37/03/813443703.db2.gz WOZVGGNYGAUDMM-CVEARBPZSA-N 1 3 290.451 3.341 20 0 CGADHO C[NH+]1CCC2(CN(Cc3cc4ccccc4s3)C2)CC1 ZINC001137686815 803758663 /nfs/dbraw/zinc/75/86/63/803758663.db2.gz SVFGGNLHHYVMNC-UHFFFAOYSA-N 1 3 286.444 3.429 20 0 CGADHO C[C@H](Cc1ccccc1Cl)NCC1([NH3+])CCCC1 ZINC001246075764 804114237 /nfs/dbraw/zinc/11/42/37/804114237.db2.gz MVFXVWJYQWYJGV-GFCCVEGCSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@@H](Cc1ccccc1F)NC[C@]1(C)CCCC[NH2+]C1 ZINC001246090644 804122154 /nfs/dbraw/zinc/12/21/54/804122154.db2.gz LIEVFTHOCKJWRR-WMLDXEAASA-N 1 3 278.415 3.126 20 0 CGADHO C[C@@]1([NH2+]C2CCC3(CCc4ccccc43)CC2)CCNC1 ZINC001246091969 804124119 /nfs/dbraw/zinc/12/41/19/804124119.db2.gz BJLHOCABOKTKGD-CUYAVPTFSA-N 1 3 284.447 3.155 20 0 CGADHO CC1(C[NH2+]C2CCC3(CCCCC3)CC2)CNC1 ZINC001246094752 804126958 /nfs/dbraw/zinc/12/69/58/804126958.db2.gz NVTRQXBSXDJEJW-UHFFFAOYSA-N 1 3 250.430 3.079 20 0 CGADHO C[C@H]1C[C@H](NCCc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246096236 804129004 /nfs/dbraw/zinc/12/90/04/804129004.db2.gz IWWANZZSYQGPKG-GXFFZTMASA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCc2cc(Cl)ccc2Cl)CCN1 ZINC001246096236 804129008 /nfs/dbraw/zinc/12/90/08/804129008.db2.gz IWWANZZSYQGPKG-GXFFZTMASA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1CC[C@H](CN[C@H]2CCC[C@H](C(F)(F)F)C2)[NH2+]C1 ZINC001246105995 804138334 /nfs/dbraw/zinc/13/83/34/804138334.db2.gz CLWQNXUCCSFTCW-MROQNXINSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)CCC[C@H](C)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107950 804140630 /nfs/dbraw/zinc/14/06/30/804140630.db2.gz BMOALPJWISUDLI-QWHCGFSZSA-N 1 3 280.378 3.333 20 0 CGADHO CC(C)CCC[C@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246113356 804144961 /nfs/dbraw/zinc/14/49/61/804144961.db2.gz NYSSLOQTPBDXNC-GJZGRUSLSA-N 1 3 258.425 3.273 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@@H]1CCCC[NH2+]C1 ZINC001246115543 804148148 /nfs/dbraw/zinc/14/81/48/804148148.db2.gz YSBBQCXBUCBPDH-CHWSQXEVSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@@H]1CC[C@@H](CNC2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC001246116730 804148282 /nfs/dbraw/zinc/14/82/82/804148282.db2.gz XPQMEOCVSCMKRP-XVSSEFHLSA-N 1 3 278.362 3.085 20 0 CGADHO CCCCCC[C@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246115667 804148379 /nfs/dbraw/zinc/14/83/79/804148379.db2.gz RYKJVGKWYSEIQN-GJZGRUSLSA-N 1 3 258.425 3.417 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139197711 804158534 /nfs/dbraw/zinc/15/85/34/804158534.db2.gz WUFSEVWGWABJPS-UHFFFAOYSA-N 1 3 285.435 3.392 20 0 CGADHO C1CC12CNC[C@@H]2[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246135353 804160841 /nfs/dbraw/zinc/16/08/41/804160841.db2.gz UJKQMTZHHQRWQU-GJZGRUSLSA-N 1 3 262.441 3.221 20 0 CGADHO Fc1cccc(Cl)c1CN[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246156947 804172260 /nfs/dbraw/zinc/17/22/60/804172260.db2.gz DEKSGHYSXDWKHO-LBPRGKRZSA-N 1 3 296.817 3.491 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139338766 804175017 /nfs/dbraw/zinc/17/50/17/804175017.db2.gz HVMHCXDMQYHVRG-UHFFFAOYSA-N 1 3 298.430 3.462 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccc(C)s2)CC[NH2+]1 ZINC001246166574 804180918 /nfs/dbraw/zinc/18/09/18/804180918.db2.gz BDVTXMJZWNPNKC-GJZGRUSLSA-N 1 3 280.481 3.499 20 0 CGADHO C[C@H]1CC([NH2+]C(C)(C)Cc2ccc(F)cc2)C[C@H](C)N1 ZINC001246168390 804183109 /nfs/dbraw/zinc/18/31/09/804183109.db2.gz CWNFRGUSTBOKDY-STQMWFEESA-N 1 3 278.415 3.265 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246172681 804188004 /nfs/dbraw/zinc/18/80/04/804188004.db2.gz DLIGTYWZDLRDNQ-CVEARBPZSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246208067 804207155 /nfs/dbraw/zinc/20/71/55/804207155.db2.gz AXNKHSFMPXGMQE-GOOMNMLDSA-N 1 3 298.474 3.401 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC001246210849 804209241 /nfs/dbraw/zinc/20/92/41/804209241.db2.gz NRWRKUFHGAHGHR-CGTJXYLNSA-N 1 3 274.452 3.231 20 0 CGADHO F[C@@H]1CCNC[C@H]1C[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246219633 804213129 /nfs/dbraw/zinc/21/31/29/804213129.db2.gz BWWDVUUXFLVEQX-ARFHVFGLSA-N 1 3 282.447 3.417 20 0 CGADHO F[C@@H]1CCNC[C@@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246223232 804217229 /nfs/dbraw/zinc/21/72/29/804217229.db2.gz QVCLCWDXKXNJNS-GDBMZVCRSA-N 1 3 282.447 3.417 20 0 CGADHO CCCC[C@H]1C[C@@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246232755 804225532 /nfs/dbraw/zinc/22/55/32/804225532.db2.gz ZFAHJTROFVPSIQ-BZSNNMDCSA-N 1 3 296.499 3.218 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCCC2)CCN1 ZINC001246232755 804225538 /nfs/dbraw/zinc/22/55/38/804225538.db2.gz ZFAHJTROFVPSIQ-BZSNNMDCSA-N 1 3 296.499 3.218 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CCN1 ZINC001246236500 804228466 /nfs/dbraw/zinc/22/84/66/804228466.db2.gz LTRFUXJJGQDDTF-KURKYZTESA-N 1 3 286.463 3.300 20 0 CGADHO C(CC1CCCCCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC001246239448 804232047 /nfs/dbraw/zinc/23/20/47/804232047.db2.gz RPUPASYSOROSSN-MRXNPFEDSA-N 1 3 252.446 3.469 20 0 CGADHO CC(C)C([NH2+][C@H]1CCN[C@H](C(C)(C)C)C1)C(C)C ZINC001246241324 804233171 /nfs/dbraw/zinc/23/31/71/804233171.db2.gz ZHYQMBBLVAJTFF-KBPBESRZSA-N 1 3 254.462 3.423 20 0 CGADHO C[C@@H](CC[NH3+])N[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246300432 804266366 /nfs/dbraw/zinc/26/63/66/804266366.db2.gz NVYIZERQDHMZDB-QWRGUYRKSA-N 1 3 272.845 3.148 20 0 CGADHO c1ccc([C@H]2[C@H]3CC[C@H](C3)[C@@H]2N[C@H]2CCCC[NH2+]C2)cc1 ZINC001246328253 804283878 /nfs/dbraw/zinc/28/38/78/804283878.db2.gz WNIWFJVZBALOGQ-PJVZLEMVSA-N 1 3 284.447 3.300 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246330856 804286327 /nfs/dbraw/zinc/28/63/27/804286327.db2.gz YPVXFBGYBXALOR-JKSUJKDBSA-N 1 3 296.405 3.264 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC001246330262 804286834 /nfs/dbraw/zinc/28/68/34/804286834.db2.gz CDINUCJUKVAHKM-DZGCQCFKSA-N 1 3 266.454 3.049 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC001246332163 804288484 /nfs/dbraw/zinc/28/84/84/804288484.db2.gz PMTAIHYTPYFEAN-JQHSSLGASA-N 1 3 274.452 3.376 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@H]2CC23CCCC3)CC[NH2+]1 ZINC001246336162 804290836 /nfs/dbraw/zinc/29/08/36/804290836.db2.gz TYKWAURFAHCHLZ-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO C[Si](C)(C)C([NH2+][C@@H]1CCNC2(CCC2)C1)[Si](C)(C)C ZINC001246335940 804291033 /nfs/dbraw/zinc/29/10/33/804291033.db2.gz DWRFGJZCPPRBMC-CYBMUJFWSA-N 1 3 298.623 3.374 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246373921 804309047 /nfs/dbraw/zinc/30/90/47/804309047.db2.gz RUCRMWVPMYKBEM-ZBFHGGJFSA-N 1 3 260.425 3.046 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246387461 804318605 /nfs/dbraw/zinc/31/86/05/804318605.db2.gz FHLNNERITGHOAU-LSDHHAIUSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)C[C@H](C)N1 ZINC001246439247 804333038 /nfs/dbraw/zinc/33/30/38/804333038.db2.gz NTDQMPYAXBEXQP-MIFYACCESA-N 1 3 290.426 3.267 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)N[C@H]1CC12C[NH2+]C2 ZINC001246444271 804334731 /nfs/dbraw/zinc/33/47/31/804334731.db2.gz JTBBWGURYGEUNG-JSGCOSHPSA-N 1 3 294.464 3.022 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@H]1CC12CNC2 ZINC001246444271 804334742 /nfs/dbraw/zinc/33/47/42/804334742.db2.gz JTBBWGURYGEUNG-JSGCOSHPSA-N 1 3 294.464 3.022 20 0 CGADHO CC(C)[NH2+]CCNC1CCC2(CCCCC2)CC1 ZINC001246458966 804339919 /nfs/dbraw/zinc/33/99/19/804339919.db2.gz IEDRHHNHMVHEJC-UHFFFAOYSA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246460566 804342817 /nfs/dbraw/zinc/34/28/17/804342817.db2.gz VBHBGJZWCBUGHX-OLMNGRFOSA-N 1 3 250.430 3.075 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](C)Cc2ccc(C)cc2)CCN1 ZINC001246460468 804342845 /nfs/dbraw/zinc/34/28/45/804342845.db2.gz IJQJIOAJALTAKT-WBVHZDCISA-N 1 3 260.425 3.048 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCNCC12CC2 ZINC001246471228 804349865 /nfs/dbraw/zinc/34/98/65/804349865.db2.gz BSMFZGUSYCGSPP-SWLSCSKDSA-N 1 3 278.827 3.003 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246497758 804360774 /nfs/dbraw/zinc/36/07/74/804360774.db2.gz QZWKWCSQDVIPNM-NJAFHUGGSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[C@H](N[C@@H](C)Cc1c(F)cccc1Cl)C1C[NH2+]C1 ZINC001246514576 804369268 /nfs/dbraw/zinc/36/92/68/804369268.db2.gz IICJKDMEGFQTBC-ZBEGNZNMSA-N 1 3 298.833 3.244 20 0 CGADHO CCCCC[C@H](CC)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246519307 804372612 /nfs/dbraw/zinc/37/26/12/804372612.db2.gz RNHGUBSIHJQMRR-JKSUJKDBSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+](CCC)CC2CC2)CCN1 ZINC001246522606 804375730 /nfs/dbraw/zinc/37/57/30/804375730.db2.gz DWXRPNPNLLNHGD-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+](CCC)CC2CC2)CCN1 ZINC001246522606 804375738 /nfs/dbraw/zinc/37/57/38/804375738.db2.gz DWXRPNPNLLNHGD-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+](CCC)CC2CC2)CCN1 ZINC001246522604 804376319 /nfs/dbraw/zinc/37/63/19/804376319.db2.gz DWXRPNPNLLNHGD-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+](CCC)CC2CC2)CCN1 ZINC001246522604 804376324 /nfs/dbraw/zinc/37/63/24/804376324.db2.gz DWXRPNPNLLNHGD-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246521127 804376609 /nfs/dbraw/zinc/37/66/09/804376609.db2.gz ZFWSCUMVPXLCMQ-HOTGVXAUSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@]1([NH3+])CCN(C2CCC(Cc3ccccc3)CC2)C1 ZINC001246530804 804382132 /nfs/dbraw/zinc/38/21/32/804382132.db2.gz OEIIAPSYWCBYLU-ABHNRTSZSA-N 1 3 272.436 3.211 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246544898 804392192 /nfs/dbraw/zinc/39/21/92/804392192.db2.gz HVUZOCCBWLEUKJ-QZTJIDSGSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](N)CC1 ZINC001246544898 804392198 /nfs/dbraw/zinc/39/21/98/804392198.db2.gz HVUZOCCBWLEUKJ-QZTJIDSGSA-N 1 3 274.452 3.457 20 0 CGADHO C[C@@H]1C[C@@H](N2Cc3ccccc3[C@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246548733 804398125 /nfs/dbraw/zinc/39/81/25/804398125.db2.gz OIGIEGMGOVQVNV-HGTKMLMNSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3[C@H](C)C2)C[C@H](C)N1 ZINC001246548733 804398133 /nfs/dbraw/zinc/39/81/33/804398133.db2.gz OIGIEGMGOVQVNV-HGTKMLMNSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)C[C@H](C)N1 ZINC001246548733 804398142 /nfs/dbraw/zinc/39/81/42/804398142.db2.gz OIGIEGMGOVQVNV-HGTKMLMNSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551106 804401200 /nfs/dbraw/zinc/40/12/00/804401200.db2.gz KREDBJWQCDONFB-WMLDXEAASA-N 1 3 294.389 3.025 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1CCC[C@@](C)([NH3+])CC1 ZINC001246552400 804402884 /nfs/dbraw/zinc/40/28/84/804402884.db2.gz OGHCSVNBQHVOAE-XJKSGUPXSA-N 1 3 280.843 3.474 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001246561801 804410033 /nfs/dbraw/zinc/41/00/33/804410033.db2.gz GIDAEVJDSWWZAQ-DJIMGWMZSA-N 1 3 260.425 3.067 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001246561801 804410038 /nfs/dbraw/zinc/41/00/38/804410038.db2.gz GIDAEVJDSWWZAQ-DJIMGWMZSA-N 1 3 260.425 3.067 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)CCN1 ZINC001246571084 804417448 /nfs/dbraw/zinc/41/74/48/804417448.db2.gz KUGZKWPWIRPYIA-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246588433 804431062 /nfs/dbraw/zinc/43/10/62/804431062.db2.gz ZFTWZPNZFASABZ-WMLDXEAASA-N 1 3 278.415 3.208 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246588433 804431067 /nfs/dbraw/zinc/43/10/67/804431067.db2.gz ZFTWZPNZFASABZ-WMLDXEAASA-N 1 3 278.415 3.208 20 0 CGADHO CC(C)[N@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CCCNCC1 ZINC001246593353 804435332 /nfs/dbraw/zinc/43/53/32/804435332.db2.gz MLIWREJFNAXJOE-JONQDZQNSA-N 1 3 264.457 3.274 20 0 CGADHO CC(C)[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CCCNCC1 ZINC001246593353 804435334 /nfs/dbraw/zinc/43/53/34/804435334.db2.gz MLIWREJFNAXJOE-JONQDZQNSA-N 1 3 264.457 3.274 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246610310 804445099 /nfs/dbraw/zinc/44/50/99/804445099.db2.gz PEYKNYPZUFGXHZ-ZFWWWQNUSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246610310 804445100 /nfs/dbraw/zinc/44/51/00/804445100.db2.gz PEYKNYPZUFGXHZ-ZFWWWQNUSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC001246610310 804445105 /nfs/dbraw/zinc/44/51/05/804445105.db2.gz PEYKNYPZUFGXHZ-ZFWWWQNUSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246612393 804446619 /nfs/dbraw/zinc/44/66/19/804446619.db2.gz GTCUXSOLLAAFEA-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@]3(CC[NH2+]3)C2)CC(C)(C)C1 ZINC001246613854 804448813 /nfs/dbraw/zinc/44/88/13/804448813.db2.gz RAXNEDXHNBOYIY-YCPHGPKFSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@H](CC(C)C)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246615001 804448905 /nfs/dbraw/zinc/44/89/05/804448905.db2.gz QQFWRRDSJYHEOE-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628363 804458537 /nfs/dbraw/zinc/45/85/37/804458537.db2.gz XKWDVTJPIYAFAR-LVQVYYBASA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628363 804458539 /nfs/dbraw/zinc/45/85/39/804458539.db2.gz XKWDVTJPIYAFAR-LVQVYYBASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]1CC(N2CC[C@@]3(C2)CCCC[NH2+]3)C[C@H](C)C1 ZINC001246626895 804459007 /nfs/dbraw/zinc/45/90/07/804459007.db2.gz VIUCJRHQFSAOPF-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc2c(c1)CCC21CCC([N@@H+]2CCC3(CNC3)C2)CC1 ZINC001246630353 804460401 /nfs/dbraw/zinc/46/04/01/804460401.db2.gz JFFDUJARWXNGPG-UHFFFAOYSA-N 1 3 296.458 3.109 20 0 CGADHO c1ccc2c(c1)CCC21CCC([N@H+]2CCC3(CNC3)C2)CC1 ZINC001246630353 804460405 /nfs/dbraw/zinc/46/04/05/804460405.db2.gz JFFDUJARWXNGPG-UHFFFAOYSA-N 1 3 296.458 3.109 20 0 CGADHO c1ccc2c(c1)CCC21CCC(N2CCC3(C[NH2+]C3)C2)CC1 ZINC001246630353 804460407 /nfs/dbraw/zinc/46/04/07/804460407.db2.gz JFFDUJARWXNGPG-UHFFFAOYSA-N 1 3 296.458 3.109 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629235 804461177 /nfs/dbraw/zinc/46/11/77/804461177.db2.gz YGYYBACHQSQONF-XUWVNRHRSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629235 804461183 /nfs/dbraw/zinc/46/11/83/804461183.db2.gz YGYYBACHQSQONF-XUWVNRHRSA-N 1 3 252.446 3.131 20 0 CGADHO c1ccc(C2CCC(N3CC[C@@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246634054 804463665 /nfs/dbraw/zinc/46/36/65/804463665.db2.gz ZMDVBLJDOWHDEV-FOIPXRHGSA-N 1 3 270.420 3.149 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634746 804463969 /nfs/dbraw/zinc/46/39/69/804463969.db2.gz ORKKLTSVDLQBGP-CRAIPNDOSA-N 1 3 290.426 3.365 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CCCC[C@@]12CC[NH2+]C2 ZINC001246642997 804470172 /nfs/dbraw/zinc/47/01/72/804470172.db2.gz LDOLQKUHSMNAOS-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246646705 804474344 /nfs/dbraw/zinc/47/43/44/804474344.db2.gz HKUDXKUVBJJQKH-RDJZCZTQSA-N 1 3 282.431 3.188 20 0 CGADHO c1ccc(CC2CCC(N3C[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246649816 804477000 /nfs/dbraw/zinc/47/70/00/804477000.db2.gz FOVVHXOKABVFLY-VLOYRQLPSA-N 1 3 284.447 3.082 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@]23CCCNC3)C[C@@H]1C ZINC001246649786 804477027 /nfs/dbraw/zinc/47/70/27/804477027.db2.gz FATVUNBIFQKBIY-QZWWFDLISA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CCCNC3)C[C@@H]1C ZINC001246649786 804477030 /nfs/dbraw/zinc/47/70/30/804477030.db2.gz FATVUNBIFQKBIY-QZWWFDLISA-N 1 3 264.457 3.419 20 0 CGADHO CCCCCC1CCC([N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001246654372 804480245 /nfs/dbraw/zinc/48/02/45/804480245.db2.gz CSUMPINWZDGZIY-LISQQWEMSA-N 1 3 250.430 3.014 20 0 CGADHO CCCCCC1CCC([N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001246654372 804480246 /nfs/dbraw/zinc/48/02/46/804480246.db2.gz CSUMPINWZDGZIY-LISQQWEMSA-N 1 3 250.430 3.014 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660611 804483554 /nfs/dbraw/zinc/48/35/54/804483554.db2.gz WBSONXITKFAQBM-QRVBRYPASA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660611 804483560 /nfs/dbraw/zinc/48/35/60/804483560.db2.gz WBSONXITKFAQBM-QRVBRYPASA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246661855 804484972 /nfs/dbraw/zinc/48/49/72/804484972.db2.gz MHCDJAXJQGHOFL-FZKCQIBNSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246661855 804484975 /nfs/dbraw/zinc/48/49/75/804484975.db2.gz MHCDJAXJQGHOFL-FZKCQIBNSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246688285 804497062 /nfs/dbraw/zinc/49/70/62/804497062.db2.gz FKICVOXJEBITBB-JWTNVVGKSA-N 1 3 270.420 3.149 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246690402 804497654 /nfs/dbraw/zinc/49/76/54/804497654.db2.gz KLEPRGPRGAVYRH-SJJHQCBESA-N 1 3 282.447 3.225 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246690402 804497657 /nfs/dbraw/zinc/49/76/57/804497657.db2.gz KLEPRGPRGAVYRH-SJJHQCBESA-N 1 3 282.447 3.225 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246692058 804498949 /nfs/dbraw/zinc/49/89/49/804498949.db2.gz SXYHELHWAMTZBF-WMLDXEAASA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246692058 804498956 /nfs/dbraw/zinc/49/89/56/804498956.db2.gz SXYHELHWAMTZBF-WMLDXEAASA-N 1 3 258.409 3.007 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246693764 804499392 /nfs/dbraw/zinc/49/93/92/804499392.db2.gz QPRMWSDZFBMRNW-IAGOWNOFSA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246693764 804499394 /nfs/dbraw/zinc/49/93/94/804499394.db2.gz QPRMWSDZFBMRNW-IAGOWNOFSA-N 1 3 284.463 3.471 20 0 CGADHO Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 ZINC001246747228 804500272 /nfs/dbraw/zinc/50/02/72/804500272.db2.gz KTUVZWMRNDQKLX-WMZOPIPTSA-N 1 3 298.474 3.415 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246774479 804505117 /nfs/dbraw/zinc/50/51/17/804505117.db2.gz GERVQQHWHAZRJZ-GUDVDZBRSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246774479 804505123 /nfs/dbraw/zinc/50/51/23/804505123.db2.gz GERVQQHWHAZRJZ-GUDVDZBRSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC2(CCCCC2)C1 ZINC001246803489 804522924 /nfs/dbraw/zinc/52/29/24/804522924.db2.gz KZGQQULDRWWSCQ-HUUCEWRRSA-N 1 3 250.430 3.316 20 0 CGADHO CC[C@@H]1CCC[N@H+]1[C@@H]1CCNC2(CCCCC2)C1 ZINC001246803489 804522928 /nfs/dbraw/zinc/52/29/28/804522928.db2.gz KZGQQULDRWWSCQ-HUUCEWRRSA-N 1 3 250.430 3.316 20 0 CGADHO CC[NH2+]C1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001246801696 804523560 /nfs/dbraw/zinc/52/35/60/804523560.db2.gz ILRZAPVLIXIJND-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO C[N@H+](CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814876 804532372 /nfs/dbraw/zinc/53/23/72/804532372.db2.gz SYQSHKCEPFXFIX-BJWYYQGGSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814876 804532376 /nfs/dbraw/zinc/53/23/76/804532376.db2.gz SYQSHKCEPFXFIX-BJWYYQGGSA-N 1 3 292.854 3.487 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3C[C@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246847159 804556326 /nfs/dbraw/zinc/55/63/26/804556326.db2.gz QDKGFHLUCJPHBL-KAXARAQCSA-N 1 3 298.474 3.329 20 0 CGADHO c1ccc(CC2CCC([N@H+]3C[C@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246847159 804556332 /nfs/dbraw/zinc/55/63/32/804556332.db2.gz QDKGFHLUCJPHBL-KAXARAQCSA-N 1 3 298.474 3.329 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246847561 804557495 /nfs/dbraw/zinc/55/74/95/804557495.db2.gz UJKYPQYKQVTHTO-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246847561 804557499 /nfs/dbraw/zinc/55/74/99/804557499.db2.gz UJKYPQYKQVTHTO-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO C1CCC2(C1)CCC([N@@H+]1C[C@H]3CCNC[C@H]3C1)CC2 ZINC001246847714 804558238 /nfs/dbraw/zinc/55/82/38/804558238.db2.gz RTTHYGFVFOEHRM-CABCVRRESA-N 1 3 262.441 3.031 20 0 CGADHO C1CCC2(C1)CCC([N@H+]1C[C@H]3CCNC[C@H]3C1)CC2 ZINC001246847714 804558245 /nfs/dbraw/zinc/55/82/45/804558245.db2.gz RTTHYGFVFOEHRM-CABCVRRESA-N 1 3 262.441 3.031 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870612 804572202 /nfs/dbraw/zinc/57/22/02/804572202.db2.gz YSZHKJCBGWPHOY-VGWMRTNUSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870612 804572204 /nfs/dbraw/zinc/57/22/04/804572204.db2.gz YSZHKJCBGWPHOY-VGWMRTNUSA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246868314 804572232 /nfs/dbraw/zinc/57/22/32/804572232.db2.gz RWUHOTAUGVTINK-RANZSIQMSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246868314 804572233 /nfs/dbraw/zinc/57/22/33/804572233.db2.gz RWUHOTAUGVTINK-RANZSIQMSA-N 1 3 270.420 3.007 20 0 CGADHO c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+]1C1CCNCC1 ZINC001246901947 804588679 /nfs/dbraw/zinc/58/86/79/804588679.db2.gz PSTLRVAEWOPFTR-QGZVFWFLSA-N 1 3 269.392 3.057 20 0 CGADHO c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C1CCNCC1 ZINC001246901947 804588682 /nfs/dbraw/zinc/58/86/82/804588682.db2.gz PSTLRVAEWOPFTR-QGZVFWFLSA-N 1 3 269.392 3.057 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247017091 804644545 /nfs/dbraw/zinc/64/45/45/804644545.db2.gz ZMHVCNKCSKATNR-KMFMINBZSA-N 1 3 292.854 3.345 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@H]3NCCC[C@H]3C1)CC2 ZINC001247016386 804644689 /nfs/dbraw/zinc/64/46/89/804644689.db2.gz UPCFOHQFQYXCQD-PKOBYXMFSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CC[C@H]3NCCC[C@H]3C1)CC2 ZINC001247016386 804644692 /nfs/dbraw/zinc/64/46/92/804644692.db2.gz UPCFOHQFQYXCQD-PKOBYXMFSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc(CN2CC=C(CC[NH+]3CCCC3)CC2)cc1 ZINC001250164340 805453637 /nfs/dbraw/zinc/45/36/37/805453637.db2.gz PFKKWUVWUJOMOR-UHFFFAOYSA-N 1 3 270.420 3.305 20 0 CGADHO CC(C)[NH+]1CCC(N2CCCc3ccccc3C2)CC1 ZINC001257216752 807063850 /nfs/dbraw/zinc/06/38/50/807063850.db2.gz ICCRWLUEAGUSDE-UHFFFAOYSA-N 1 3 272.436 3.308 20 0 CGADHO CCC(CC)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257292239 807089376 /nfs/dbraw/zinc/08/93/76/807089376.db2.gz WNWJGCGCCNYJPV-UHFFFAOYSA-N 1 3 264.388 3.264 20 0 CGADHO CCN(C)C1CC[NH+](C2CCC(OC(C)C)CC2)CC1 ZINC001257885726 807237787 /nfs/dbraw/zinc/23/77/87/807237787.db2.gz SDRLJPJWMZEYGZ-UHFFFAOYSA-N 1 3 282.472 3.139 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cn(C)c3ccccc23)CC1 ZINC001258001113 807262565 /nfs/dbraw/zinc/26/25/65/807262565.db2.gz CCEJNEPFSYIBHQ-UHFFFAOYSA-N 1 3 299.462 3.388 20 0 CGADHO C[N@H+](C[C@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994538 807295522 /nfs/dbraw/zinc/29/55/22/807295522.db2.gz IACKLEMWTLZYSL-VPSFDDGASA-N 1 3 276.468 3.370 20 0 CGADHO C[N@@H+](C[C@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994538 807295525 /nfs/dbraw/zinc/29/55/25/807295525.db2.gz IACKLEMWTLZYSL-VPSFDDGASA-N 1 3 276.468 3.370 20 0 CGADHO C[C@H]1CC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@H](C)C1 ZINC001258161702 807329916 /nfs/dbraw/zinc/32/99/16/807329916.db2.gz SZMMUZRBDXLMGJ-YFHUEUNASA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cc2cc(NC3(C)CC[NH2+]CC3)ccc2cn1 ZINC001168189333 807340710 /nfs/dbraw/zinc/34/07/10/807340710.db2.gz PNXNKGHSENYPSI-UHFFFAOYSA-N 1 3 255.365 3.097 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001258244076 807386161 /nfs/dbraw/zinc/38/61/61/807386161.db2.gz MXGPKFBYLWLQAW-IYBDPMFKSA-N 1 3 264.457 3.373 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C3CCCCCCC3)C[C@@H]2C1 ZINC001258244076 807386169 /nfs/dbraw/zinc/38/61/69/807386169.db2.gz MXGPKFBYLWLQAW-IYBDPMFKSA-N 1 3 264.457 3.373 20 0 CGADHO C=Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168358844 807392922 /nfs/dbraw/zinc/39/29/22/807392922.db2.gz WCLJFJQGHSESRY-UHFFFAOYSA-N 1 3 270.420 3.294 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)NC1(C[NH3+])CC1 ZINC001258305280 807404557 /nfs/dbraw/zinc/40/45/57/807404557.db2.gz FZYXDZNUOPFVBZ-GFCCVEGCSA-N 1 3 282.453 3.151 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)N1CCC[C@H]1C[NH3+] ZINC001258303600 807404697 /nfs/dbraw/zinc/40/46/97/807404697.db2.gz VBEHKBWRDHUSQP-KBPBESRZSA-N 1 3 296.480 3.493 20 0 CGADHO CCN(CCC[NH+](C)C)[C@H](C)Cc1cccc(F)c1 ZINC001168501316 807438247 /nfs/dbraw/zinc/43/82/47/807438247.db2.gz RJCNRBLZOXADII-CQSZACIVSA-N 1 3 266.404 3.030 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCCN)C(C)C ZINC001258649988 807522126 /nfs/dbraw/zinc/52/21/26/807522126.db2.gz WNSBHQMZUMYSKQ-KRWDZBQOSA-N 1 3 262.441 3.457 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCCN)C(C)C ZINC001258649988 807522128 /nfs/dbraw/zinc/52/21/28/807522128.db2.gz WNSBHQMZUMYSKQ-KRWDZBQOSA-N 1 3 262.441 3.457 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)(C)C[NH3+] ZINC001258673996 807538784 /nfs/dbraw/zinc/53/87/84/807538784.db2.gz XIDQNTQGXLUQSZ-VIFPVBQESA-N 1 3 275.223 3.251 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141446 807588219 /nfs/dbraw/zinc/58/82/19/807588219.db2.gz QNOCENJGTBCCAY-CAOSSQGBSA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141446 807588221 /nfs/dbraw/zinc/58/82/21/807588221.db2.gz QNOCENJGTBCCAY-CAOSSQGBSA-N 1 3 288.410 3.240 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1cccc(Cl)c1)C2 ZINC001169139492 807588315 /nfs/dbraw/zinc/58/83/15/807588315.db2.gz NSFDMHIROIWJRM-MUJYYYPQSA-N 1 3 278.827 3.397 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1cccc(Cl)c1)C2 ZINC001169139492 807588317 /nfs/dbraw/zinc/58/83/17/807588317.db2.gz NSFDMHIROIWJRM-MUJYYYPQSA-N 1 3 278.827 3.397 20 0 CGADHO CC[NH+](CC)C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC001258825159 807640270 /nfs/dbraw/zinc/64/02/70/807640270.db2.gz ZWHWYQMALUDNMV-HOCLYGCPSA-N 1 3 252.446 3.371 20 0 CGADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccncc3)c2c1 ZINC001171165463 807998736 /nfs/dbraw/zinc/99/87/36/807998736.db2.gz OPKMPXMKVRLMCK-CYBMUJFWSA-N 1 3 265.360 3.224 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCCc2cccnc2)CC1(C)C ZINC001171622904 808106719 /nfs/dbraw/zinc/10/67/19/808106719.db2.gz CBCUBYNRYTWOLN-UHFFFAOYSA-N 1 3 289.467 3.255 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC001171635965 808108958 /nfs/dbraw/zinc/10/89/58/808108958.db2.gz AWJSHUZRPXTCEJ-UHFFFAOYSA-N 1 3 252.446 3.370 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC(C)(C)C2)CC1(C)C ZINC001171635965 808108961 /nfs/dbraw/zinc/10/89/61/808108961.db2.gz AWJSHUZRPXTCEJ-UHFFFAOYSA-N 1 3 252.446 3.370 20 0 CGADHO Cc1cc(F)cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172107032 808175850 /nfs/dbraw/zinc/17/58/50/808175850.db2.gz SMUJREOPDCOYIP-OSYLJGHBSA-N 1 3 276.399 3.239 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3F)C2 ZINC001172106502 808176601 /nfs/dbraw/zinc/17/66/01/808176601.db2.gz PPSKXYBXLQOCCK-KYZVSKTDSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3c1cccc3F)C2 ZINC001172106502 808176605 /nfs/dbraw/zinc/17/66/05/808176605.db2.gz PPSKXYBXLQOCCK-KYZVSKTDSA-N 1 3 288.410 3.418 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(F)C3)CC1)C2 ZINC001172120743 808184240 /nfs/dbraw/zinc/18/42/40/808184240.db2.gz MFQHIUHPNSKOOM-MUJYYYPQSA-N 1 3 280.431 3.216 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550291 808379882 /nfs/dbraw/zinc/37/98/82/808379882.db2.gz DMNIRRJDSAQQHF-KURKYZTESA-N 1 3 272.436 3.397 20 0 CGADHO CC1(C)CC([NH+]2CCC(N3CCCC3)CC2)CC(C)(C)O1 ZINC001172655217 808410859 /nfs/dbraw/zinc/41/08/59/808410859.db2.gz STDKQEMOGPQVSE-UHFFFAOYSA-N 1 3 294.483 3.283 20 0 CGADHO CC[NH+](CC)C1CCC(N[C@@H](C)c2cscn2)CC1 ZINC001173101907 808508961 /nfs/dbraw/zinc/50/89/61/808508961.db2.gz PDDAEJNWLKEYBO-HSBZDZAISA-N 1 3 281.469 3.447 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001173250325 808557689 /nfs/dbraw/zinc/55/76/89/808557689.db2.gz PVRSNMCQZHBCEX-GOSISDBHSA-N 1 3 297.531 3.207 20 0 CGADHO CCSC[C@@H](C)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001173296590 808596178 /nfs/dbraw/zinc/59/61/78/808596178.db2.gz UNHUNNXUBBICGD-CYBMUJFWSA-N 1 3 296.455 3.217 20 0 CGADHO Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001276170112 808990999 /nfs/dbraw/zinc/99/09/99/808990999.db2.gz OMGXIRZPECDMNN-SFHVURJKSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001276170112 808991002 /nfs/dbraw/zinc/99/10/02/808991002.db2.gz OMGXIRZPECDMNN-SFHVURJKSA-N 1 3 290.426 3.442 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1F)C2 ZINC001276726279 809026371 /nfs/dbraw/zinc/02/63/71/809026371.db2.gz IHCYMJDTAHLZLN-GOSISDBHSA-N 1 3 290.426 3.176 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1F)C2 ZINC001276726279 809026378 /nfs/dbraw/zinc/02/63/78/809026378.db2.gz IHCYMJDTAHLZLN-GOSISDBHSA-N 1 3 290.426 3.176 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833071 809036068 /nfs/dbraw/zinc/03/60/68/809036068.db2.gz HJFJISRWDWXBBX-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833071 809036074 /nfs/dbraw/zinc/03/60/74/809036074.db2.gz HJFJISRWDWXBBX-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO Cc1cnccc1Nc1ccccc1C[NH+]1CCCC1 ZINC001174539144 809071272 /nfs/dbraw/zinc/07/12/72/809071272.db2.gz FVRFMRMLKXWKKC-UHFFFAOYSA-N 1 3 267.376 3.151 20 0 CGADHO Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)CN(C)C)cc1C ZINC001178816601 809889704 /nfs/dbraw/zinc/88/97/04/809889704.db2.gz ANNOSJSPSCFCCX-NPQIQWPPSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC1(C)C ZINC001183918977 810169542 /nfs/dbraw/zinc/16/95/42/810169542.db2.gz DPXPMWOWMQRNID-ULQDDVLXSA-N 1 3 289.467 3.489 20 0 CGADHO CCCCCN1CCN(CCC[NH+](CCC)CCC)CC1 ZINC001201744680 811955666 /nfs/dbraw/zinc/95/56/66/811955666.db2.gz OGRQGBHOLYNBRQ-UHFFFAOYSA-N 1 3 297.531 3.306 20 0 CGADHO C[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001201858041 811973059 /nfs/dbraw/zinc/97/30/59/811973059.db2.gz YQEYAHZVIJRZNW-RHSMWYFYSA-N 1 3 264.457 3.419 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001204110631 812549765 /nfs/dbraw/zinc/54/97/65/812549765.db2.gz GEXBUUBWJWNVOM-KKUMJFAQSA-N 1 3 272.502 3.371 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204169215 812563386 /nfs/dbraw/zinc/56/33/86/812563386.db2.gz LAQQSFAGBIKIHE-ROUUACIJSA-N 1 3 272.436 3.194 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001204599324 812685590 /nfs/dbraw/zinc/68/55/90/812685590.db2.gz WVJWKMBMYXDHEF-TXEJJXNPSA-N 1 3 264.438 3.157 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001204599324 812685593 /nfs/dbraw/zinc/68/55/93/812685593.db2.gz WVJWKMBMYXDHEF-TXEJJXNPSA-N 1 3 264.438 3.157 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@](C)(N)C1)c1cccc2ccccc21 ZINC001204763430 812729732 /nfs/dbraw/zinc/72/97/32/812729732.db2.gz JYLLLUUAPLNDFM-RDTXWAMCSA-N 1 3 268.404 3.366 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@](C)(N)C1)c1cccc2ccccc21 ZINC001204763430 812729735 /nfs/dbraw/zinc/72/97/35/812729735.db2.gz JYLLLUUAPLNDFM-RDTXWAMCSA-N 1 3 268.404 3.366 20 0 CGADHO Cc1c(CN2CCC(C[NH3+])CC2)cccc1C(F)(F)F ZINC001205046670 812838742 /nfs/dbraw/zinc/83/87/42/812838742.db2.gz IKCVREVCAZRALZ-UHFFFAOYSA-N 1 3 286.341 3.185 20 0 CGADHO [NH3+][C@@H]1CCCN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205088353 812856201 /nfs/dbraw/zinc/85/62/01/812856201.db2.gz OLWXLIPNGZFROB-FVQBIDKESA-N 1 3 278.827 3.257 20 0 CGADHO CN(C)c1ccc2cc(CN3CCC[C@H]([NH3+])CC3)ccc2c1 ZINC001205110553 812870676 /nfs/dbraw/zinc/87/06/76/812870676.db2.gz VUMKZJQXXDCKMX-SFHVURJKSA-N 1 3 297.446 3.219 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205117691 812875101 /nfs/dbraw/zinc/87/51/01/812875101.db2.gz RXMMFTPJCBSRRY-KRWDZBQOSA-N 1 3 260.425 3.198 20 0 CGADHO CCCCc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205304317 812941693 /nfs/dbraw/zinc/94/16/93/812941693.db2.gz NSOLHRHVJWFZSR-MAUKXSAKSA-N 1 3 274.452 3.446 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CCCC23CCN(C)CC3)c1 ZINC001205411645 812979954 /nfs/dbraw/zinc/97/99/54/812979954.db2.gz KAXQVOYYPMIWGP-UHFFFAOYSA-N 1 3 286.463 3.406 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC001205411645 812979959 /nfs/dbraw/zinc/97/99/59/812979959.db2.gz KAXQVOYYPMIWGP-UHFFFAOYSA-N 1 3 286.463 3.406 20 0 CGADHO C[C@@H]1CCN(Cc2csc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205626759 813033148 /nfs/dbraw/zinc/03/31/48/813033148.db2.gz IXPVXXXAIIZGDQ-PWSUYJOCSA-N 1 3 272.845 3.208 20 0 CGADHO CC1=CC[C@H](CCN2CCC(F)(F)[C@H](C[NH3+])C2)C1(C)C ZINC001205735094 813063971 /nfs/dbraw/zinc/06/39/71/813063971.db2.gz JYWYIOKLJXFMGW-ZIAGYGMSSA-N 1 3 286.410 3.285 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cc2ccccc2s1 ZINC001205903015 813124550 /nfs/dbraw/zinc/12/45/50/813124550.db2.gz MTIQCFLBBRIHMM-TZMCWYRMSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1CN(Cc2cc(F)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205995768 813157267 /nfs/dbraw/zinc/15/72/67/813157267.db2.gz QAZLQLWHOZSKMD-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2cc3cccnc3s2)C1 ZINC001206563265 813355472 /nfs/dbraw/zinc/35/54/72/813355472.db2.gz AQUNVIJHEUFZAQ-MRXNPFEDSA-N 1 3 289.448 3.247 20 0 CGADHO CCc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)s1 ZINC001206565993 813356206 /nfs/dbraw/zinc/35/62/06/813356206.db2.gz XIDDNFFTRRYUBW-OAHLLOKOSA-N 1 3 266.454 3.261 20 0 CGADHO COc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1C ZINC001206588516 813365458 /nfs/dbraw/zinc/36/54/58/813365458.db2.gz AETXFHVSEDYNCC-QGZVFWFLSA-N 1 3 290.451 3.356 20 0 CGADHO Cc1ccc2nc(CN3CCCC[C@@H](C[NH3+])C3)ccc2c1 ZINC001206615880 813375565 /nfs/dbraw/zinc/37/55/65/813375565.db2.gz JMWTYVPMWBWEHJ-HNNXBMFYSA-N 1 3 283.419 3.104 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001206761472 813427267 /nfs/dbraw/zinc/42/72/67/813427267.db2.gz ZAYDPCXHSVSRTQ-JKSUJKDBSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761472 813427274 /nfs/dbraw/zinc/42/72/74/813427274.db2.gz ZAYDPCXHSVSRTQ-JKSUJKDBSA-N 1 3 274.452 3.414 20 0 CGADHO CCn1ccc2ccc(CN3C[C@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206768550 813430441 /nfs/dbraw/zinc/43/04/41/813430441.db2.gz KJBWQZALAFRLAT-HOCLYGCPSA-N 1 3 285.435 3.220 20 0 CGADHO CCN([C@@H]1CCOC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001208694599 813799682 /nfs/dbraw/zinc/79/96/82/813799682.db2.gz UJILMTNCNHGCAH-GOSISDBHSA-N 1 3 294.483 3.142 20 0 CGADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CCCCCc1ccccc1)C2 ZINC001209236371 813980127 /nfs/dbraw/zinc/98/01/27/813980127.db2.gz ZSWMNYPSPWZNHA-RTBURBONSA-N 1 3 286.463 3.283 20 0 CGADHO CC(C)(CC[N@@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC001222142225 816360280 /nfs/dbraw/zinc/36/02/80/816360280.db2.gz YAWSFWYINGISSZ-IBGZPJMESA-N 1 3 286.463 3.430 20 0 CGADHO CC(C)(CC[N@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC001222142225 816360287 /nfs/dbraw/zinc/36/02/87/816360287.db2.gz YAWSFWYINGISSZ-IBGZPJMESA-N 1 3 286.463 3.430 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001222231842 816380722 /nfs/dbraw/zinc/38/07/22/816380722.db2.gz PVUXEJCWEJSQOE-GVDBMIGSSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001222231842 816380728 /nfs/dbraw/zinc/38/07/28/816380728.db2.gz PVUXEJCWEJSQOE-GVDBMIGSSA-N 1 3 262.441 3.197 20 0 CGADHO Cc1cc(CN2CCC[C@@]23CCC[NH2+]CC3)ccc1F ZINC001222309250 816403665 /nfs/dbraw/zinc/40/36/65/816403665.db2.gz OYNVXHAOJKMIFY-QGZVFWFLSA-N 1 3 276.399 3.242 20 0 CGADHO Cc1ccc(CN2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001222457944 816450235 /nfs/dbraw/zinc/45/02/35/816450235.db2.gz ZMDFDVKQBSQKNF-UHFFFAOYSA-N 1 3 276.399 3.100 20 0 CGADHO CCc1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)nc1 ZINC001231640594 818143961 /nfs/dbraw/zinc/14/39/61/818143961.db2.gz IXORAWWAMWHQPU-UHFFFAOYSA-N 1 3 289.467 3.196 20 0 CGADHO c1c2c[nH]ccc-2nc1C[NH+]1CCC2(CCC2)CC1 ZINC001232012849 818232953 /nfs/dbraw/zinc/23/29/53/818232953.db2.gz UTQUKXBEPUCTBN-UHFFFAOYSA-N 1 3 255.365 3.329 20 0 CGADHO Cn1c(CN2CCC3(CC[NH2+]CC3)CC2)cc2ccccc21 ZINC001235132689 819013625 /nfs/dbraw/zinc/01/36/25/819013625.db2.gz LKBKGCBIKRWZGN-UHFFFAOYSA-N 1 3 297.446 3.144 20 0 CGADHO c1ccc2c(c1)CC(C[N@@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001235171295 819022559 /nfs/dbraw/zinc/02/25/59/819022559.db2.gz IUIAIDSMDFBHDN-IBGZPJMESA-N 1 3 284.447 3.010 20 0 CGADHO c1ccc2c(c1)CC(C[N@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001235171295 819022566 /nfs/dbraw/zinc/02/25/66/819022566.db2.gz IUIAIDSMDFBHDN-IBGZPJMESA-N 1 3 284.447 3.010 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235241395 819046426 /nfs/dbraw/zinc/04/64/26/819046426.db2.gz TUNNJFAUQNOAEZ-GDBMZVCRSA-N 1 3 278.827 3.086 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235241395 819046430 /nfs/dbraw/zinc/04/64/30/819046430.db2.gz TUNNJFAUQNOAEZ-GDBMZVCRSA-N 1 3 278.827 3.086 20 0 CGADHO CCCC[N@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001235664336 819132595 /nfs/dbraw/zinc/13/25/95/819132595.db2.gz RCFUXEZSSKMLSG-UHFFFAOYSA-N 1 3 297.446 3.394 20 0 CGADHO CCCC[N@@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001235664336 819132598 /nfs/dbraw/zinc/13/25/98/819132598.db2.gz RCFUXEZSSKMLSG-UHFFFAOYSA-N 1 3 297.446 3.394 20 0 CGADHO [NH3+]C[C@H]1CCCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235674274 819135679 /nfs/dbraw/zinc/13/56/79/819135679.db2.gz DOXKGWQGXDPTOT-HXUWFJFHSA-N 1 3 294.442 3.448 20 0 CGADHO Fc1ccccc1CN1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701059 819145888 /nfs/dbraw/zinc/14/58/88/819145888.db2.gz FAQDOOACGPZUMT-UHFFFAOYSA-N 1 3 276.399 3.037 20 0 CGADHO CCCCOc1ccc(CN2CCC[C@H]2CC[NH3+])cc1 ZINC001235924932 819223134 /nfs/dbraw/zinc/22/31/34/819223134.db2.gz CTQFKKBABMVBAL-INIZCTEOSA-N 1 3 276.424 3.179 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N(C)CC1(F)CC[NH2+]CC1 ZINC001235949545 819239511 /nfs/dbraw/zinc/23/95/11/819239511.db2.gz OMINNSUZNBFVDV-LBPRGKRZSA-N 1 3 284.806 3.425 20 0 CGADHO COc1ccc([C@H]2CCN(CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097583 819316140 /nfs/dbraw/zinc/31/61/40/819316140.db2.gz LDRHBXCDOBLNIS-IRXDYDNUSA-N 1 3 288.435 3.017 20 0 CGADHO CC[N@H+](CCN)Cc1cc(OC)ccc1-c1ccccc1 ZINC001236143466 819343596 /nfs/dbraw/zinc/34/35/96/819343596.db2.gz JTAOORMWDBEDKJ-UHFFFAOYSA-N 1 3 284.403 3.143 20 0 CGADHO CC[N@@H+](CCN)Cc1cc(OC)ccc1-c1ccccc1 ZINC001236143466 819343600 /nfs/dbraw/zinc/34/36/00/819343600.db2.gz JTAOORMWDBEDKJ-UHFFFAOYSA-N 1 3 284.403 3.143 20 0 CGADHO CCC[N@H+](Cc1ccc2occc2c1)C1CCNCC1 ZINC001236181692 819360188 /nfs/dbraw/zinc/36/01/88/819360188.db2.gz AYFBJTWRGMNZJC-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO CCC[N@@H+](Cc1ccc2occc2c1)C1CCNCC1 ZINC001236181692 819360197 /nfs/dbraw/zinc/36/01/97/819360197.db2.gz AYFBJTWRGMNZJC-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO CCCN(Cc1ccc2occc2c1)C1CC[NH2+]CC1 ZINC001236181692 819360205 /nfs/dbraw/zinc/36/02/05/819360205.db2.gz AYFBJTWRGMNZJC-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2N)cc1C ZINC001236211014 819371744 /nfs/dbraw/zinc/37/17/44/819371744.db2.gz FIUAFYYHCUBELX-HOTGVXAUSA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)cc1C ZINC001236211014 819371748 /nfs/dbraw/zinc/37/17/48/819371748.db2.gz FIUAFYYHCUBELX-HOTGVXAUSA-N 1 3 276.424 3.014 20 0 CGADHO C[N@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@H]1N ZINC001236211808 819374510 /nfs/dbraw/zinc/37/45/10/819374510.db2.gz JJSKJNIZDKCORF-CABCVRRESA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@H]1N ZINC001236211808 819374515 /nfs/dbraw/zinc/37/45/15/819374515.db2.gz JJSKJNIZDKCORF-CABCVRRESA-N 1 3 275.371 3.009 20 0 CGADHO CCn1ccc2ccc(CN(C)C3(C)CC[NH2+]CC3)cc21 ZINC001236226440 819391459 /nfs/dbraw/zinc/39/14/59/819391459.db2.gz LQBCNTSZCSPNJV-UHFFFAOYSA-N 1 3 285.435 3.235 20 0 CGADHO CCn1ccc2ccc(C[N@H+](C)C3(C)CCNCC3)cc21 ZINC001236226440 819391467 /nfs/dbraw/zinc/39/14/67/819391467.db2.gz LQBCNTSZCSPNJV-UHFFFAOYSA-N 1 3 285.435 3.235 20 0 CGADHO CCn1ccc2ccc(C[N@@H+](C)C3(C)CCNCC3)cc21 ZINC001236226440 819391472 /nfs/dbraw/zinc/39/14/72/819391472.db2.gz LQBCNTSZCSPNJV-UHFFFAOYSA-N 1 3 285.435 3.235 20 0 CGADHO CCc1cccc(C)c1C[N@H+](C)C1(C)CCNCC1 ZINC001236227019 819391908 /nfs/dbraw/zinc/39/19/08/819391908.db2.gz XPJULNYJHRDMCC-UHFFFAOYSA-N 1 3 260.425 3.131 20 0 CGADHO CCc1cccc(C)c1C[N@@H+](C)C1(C)CCNCC1 ZINC001236227019 819391916 /nfs/dbraw/zinc/39/19/16/819391916.db2.gz XPJULNYJHRDMCC-UHFFFAOYSA-N 1 3 260.425 3.131 20 0 CGADHO CCc1cccc(C)c1CN(C)C1(C)CC[NH2+]CC1 ZINC001236227019 819391924 /nfs/dbraw/zinc/39/19/24/819391924.db2.gz XPJULNYJHRDMCC-UHFFFAOYSA-N 1 3 260.425 3.131 20 0 CGADHO CCCc1ccc(CN(CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236408863 819455780 /nfs/dbraw/zinc/45/57/80/819455780.db2.gz PRLFOCLMKOKXAT-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCCc1ccc(CN(CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236408862 819456527 /nfs/dbraw/zinc/45/65/27/819456527.db2.gz PRLFOCLMKOKXAT-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO CCN(Cc1ccc2cccccc1-2)C[C@H]1CC[NH2+]C1 ZINC001236410687 819457912 /nfs/dbraw/zinc/45/79/12/819457912.db2.gz JDKUQTDVHPGSKM-HNNXBMFYSA-N 1 3 268.404 3.223 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415418 819460587 /nfs/dbraw/zinc/46/05/87/819460587.db2.gz OCYUHBMZGFCIQC-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415418 819460592 /nfs/dbraw/zinc/46/05/92/819460592.db2.gz OCYUHBMZGFCIQC-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO COc1ccc2c(c1)CN(Cc1ccc(C[NH3+])cc1)CCC2 ZINC001236434066 819477124 /nfs/dbraw/zinc/47/71/24/819477124.db2.gz NURHBXWMUCRIMA-UHFFFAOYSA-N 1 3 296.414 3.102 20 0 CGADHO Cc1cc(F)cc(CN(C[C@@H]2C[C@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481555 819497615 /nfs/dbraw/zinc/49/76/15/819497615.db2.gz WYTOHIFBYDQCGB-ZBFHGGJFSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@@H+](C[C@@H]2C[C@H]2C)C2CCNCC2)c1 ZINC001236481555 819497621 /nfs/dbraw/zinc/49/76/21/819497621.db2.gz WYTOHIFBYDQCGB-ZBFHGGJFSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@H+](C[C@@H]2C[C@H]2C)C2CCNCC2)c1 ZINC001236481555 819497626 /nfs/dbraw/zinc/49/76/26/819497626.db2.gz WYTOHIFBYDQCGB-ZBFHGGJFSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(C[N@H+](C2CCC2)C2CCNCC2)cc1C ZINC001236632933 819556428 /nfs/dbraw/zinc/55/64/28/819556428.db2.gz DCQYEMYGUDKLMD-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO Cc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)cc1C ZINC001236632933 819556434 /nfs/dbraw/zinc/55/64/34/819556434.db2.gz DCQYEMYGUDKLMD-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC001236950865 819638397 /nfs/dbraw/zinc/63/83/97/819638397.db2.gz QKQFZSSOPMVUGY-RTBURBONSA-N 1 3 286.463 3.331 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC001236950865 819638399 /nfs/dbraw/zinc/63/83/99/819638399.db2.gz QKQFZSSOPMVUGY-RTBURBONSA-N 1 3 286.463 3.331 20 0 CGADHO COc1cc(C)c(CN2CCC[C@](C)(C[NH3+])C2)c(C)c1C ZINC001237059307 819657321 /nfs/dbraw/zinc/65/73/21/819657321.db2.gz SOGFWDNLXJSQKV-GOSISDBHSA-N 1 3 290.451 3.181 20 0 CGADHO Cc1ccc(OC(C)C)cc1C[N@H+](C)CCCN(C)C ZINC001238478196 820019227 /nfs/dbraw/zinc/01/92/27/820019227.db2.gz UBSHLKFKQJQFGD-UHFFFAOYSA-N 1 3 278.440 3.166 20 0 CGADHO Cc1ccc(OC(C)C)cc1C[N@@H+](C)CCCN(C)C ZINC001238478196 820019238 /nfs/dbraw/zinc/01/92/38/820019238.db2.gz UBSHLKFKQJQFGD-UHFFFAOYSA-N 1 3 278.440 3.166 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(C)c(C)cc1OC ZINC001238771372 820112755 /nfs/dbraw/zinc/11/27/55/820112755.db2.gz YASNSAJSZULKRU-UHFFFAOYSA-N 1 3 292.467 3.476 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(C)c(C)cc1OC ZINC001238771372 820112759 /nfs/dbraw/zinc/11/27/59/820112759.db2.gz YASNSAJSZULKRU-UHFFFAOYSA-N 1 3 292.467 3.476 20 0 CGADHO CCN(CC)Cc1cc(-c2cncc(C[NH3+])c2)ccc1F ZINC001239808514 820624233 /nfs/dbraw/zinc/62/42/33/820624233.db2.gz BZSSBGVKNHKIRC-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CCN(CC)Cc1ccc(C2=CCC[NH2+]C2)cc1F ZINC001240671792 821232222 /nfs/dbraw/zinc/23/22/22/821232222.db2.gz YYUYKYXJTNWYHL-UHFFFAOYSA-N 1 3 262.372 3.044 20 0 CGADHO CC[N@H+]1CC=C(c2cnc(C3=CCN(C)CC3)c(C)c2)CC1 ZINC001241312428 821724151 /nfs/dbraw/zinc/72/41/51/821724151.db2.gz AGHGYXCZMRYHDZ-UHFFFAOYSA-N 1 3 297.446 3.218 20 0 CGADHO CC[N@@H+]1CC=C(c2cnc(C3=CCN(C)CC3)c(C)c2)CC1 ZINC001241312428 821724155 /nfs/dbraw/zinc/72/41/55/821724155.db2.gz AGHGYXCZMRYHDZ-UHFFFAOYSA-N 1 3 297.446 3.218 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc(F)ccc3F)C[C@@H]2C1 ZINC001343332424 936495468 /nfs/dbraw/zinc/49/54/68/936495468.db2.gz DHRXBKUKOAGWNZ-DVOMOZLQSA-N 1 3 294.389 3.127 20 0 CGADHO CC[C@@H](C)[C@@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001460304580 928744270 /nfs/dbraw/zinc/74/42/70/928744270.db2.gz LQXMJWPXPWSAFQ-HUUCEWRRSA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@@H](C)[C@@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC001460304580 928744274 /nfs/dbraw/zinc/74/42/74/928744274.db2.gz LQXMJWPXPWSAFQ-HUUCEWRRSA-N 1 3 261.413 3.028 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC001461123682 937565436 /nfs/dbraw/zinc/56/54/36/937565436.db2.gz YVRBRHXYOPKLDI-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC001462188301 937623802 /nfs/dbraw/zinc/62/38/02/937623802.db2.gz BWFSHEMWVGDFID-QWHCGFSZSA-N 1 3 280.378 3.427 20 0 CGADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987348 933030977 /nfs/dbraw/zinc/03/09/77/933030977.db2.gz KBMDHKLCYMCOCO-IGCXYCKISA-N 1 3 290.838 3.211 20 0 CGADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987348 933030981 /nfs/dbraw/zinc/03/09/81/933030981.db2.gz KBMDHKLCYMCOCO-IGCXYCKISA-N 1 3 290.838 3.211 20 0 CGADHO CO[C@H](CNC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC001308706094 933163075 /nfs/dbraw/zinc/16/30/75/933163075.db2.gz RCFXNKCMMZEMCW-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001308986912 933223211 /nfs/dbraw/zinc/22/32/11/933223211.db2.gz DKDVXWKHDKNNNB-UGUYLWEFSA-N 1 3 252.446 3.275 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2sc(C)nc2C)C1 ZINC001319190503 933839647 /nfs/dbraw/zinc/83/96/47/933839647.db2.gz QHLUEQCBTWKGAE-RISCZKNCSA-N 1 3 281.469 3.142 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC001319382574 933866940 /nfs/dbraw/zinc/86/69/40/933866940.db2.gz GMLIVWJIPAYJDM-KBPBESRZSA-N 1 3 294.414 3.217 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](C)c1cccc2ccccc21 ZINC001326034832 934946087 /nfs/dbraw/zinc/94/60/87/934946087.db2.gz AJSWYKQVNDLFFI-ZIAGYGMSSA-N 1 3 256.393 3.488 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001473717489 937818541 /nfs/dbraw/zinc/81/85/41/937818541.db2.gz XOUHEMJAJSEWGA-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001473717489 937818543 /nfs/dbraw/zinc/81/85/43/937818543.db2.gz XOUHEMJAJSEWGA-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001328764603 935168019 /nfs/dbraw/zinc/16/80/19/935168019.db2.gz OMJOAERUURJCCX-RDBSUJKOSA-N 1 3 296.480 3.023 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764603 935168020 /nfs/dbraw/zinc/16/80/20/935168020.db2.gz OMJOAERUURJCCX-RDBSUJKOSA-N 1 3 296.480 3.023 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC001329421160 935215007 /nfs/dbraw/zinc/21/50/07/935215007.db2.gz ZTUAXXMJWFDIMZ-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC001329421160 935215008 /nfs/dbraw/zinc/21/50/08/935215008.db2.gz ZTUAXXMJWFDIMZ-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC001329421160 935215010 /nfs/dbraw/zinc/21/50/10/935215010.db2.gz ZTUAXXMJWFDIMZ-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H](COc1ccccc1F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331516914 935387009 /nfs/dbraw/zinc/38/70/09/935387009.db2.gz AUVCFMDNZVLXBX-ZIAGYGMSSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@H](COc1ccccc1F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516914 935387017 /nfs/dbraw/zinc/38/70/17/935387017.db2.gz AUVCFMDNZVLXBX-ZIAGYGMSSA-N 1 3 294.414 3.055 20 0 CGADHO CO[C@H](C[NH2+]C[C@@H](N)CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838343 936293627 /nfs/dbraw/zinc/29/36/27/936293627.db2.gz NWFQXRSNXXVBEX-JKSUJKDBSA-N 1 3 296.430 3.256 20 0 CGADHO CNc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC001474646773 937872723 /nfs/dbraw/zinc/87/27/23/937872723.db2.gz FXGUYIHRRXPTNA-MAUKXSAKSA-N 1 3 289.467 3.281 20 0 CGADHO CNc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC001474646773 937872724 /nfs/dbraw/zinc/87/27/24/937872724.db2.gz FXGUYIHRRXPTNA-MAUKXSAKSA-N 1 3 289.467 3.281 20 0 CGADHO C[C@@H]1C[N@H+](CC2CCCCC2)CCN1c1ccncc1 ZINC001521023605 938029440 /nfs/dbraw/zinc/02/94/40/938029440.db2.gz CFXOKTNXJWMJDD-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1C[N@@H+](CC2CCCCC2)CCN1c1ccncc1 ZINC001521023605 938029441 /nfs/dbraw/zinc/02/94/41/938029441.db2.gz CFXOKTNXJWMJDD-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1[C@@H](c3ccccc3)C1(C)C)[NH2+]2 ZINC001550474645 938166700 /nfs/dbraw/zinc/16/67/00/938166700.db2.gz LCDVGJIJCZRQRQ-WLZXLALPSA-N 1 3 284.447 3.297 20 0 CGADHO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC1CC(c2ccccc2)C1 ZINC001553023589 938195878 /nfs/dbraw/zinc/19/58/78/938195878.db2.gz YGUGZRJMHVZASB-ILEACXBISA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001553023589 938195879 /nfs/dbraw/zinc/19/58/79/938195879.db2.gz YGUGZRJMHVZASB-ILEACXBISA-N 1 3 284.447 3.299 20 0 CGADHO CC[C@@H](C)[C@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001560048724 938242975 /nfs/dbraw/zinc/24/29/75/938242975.db2.gz YBWGWTAECCUBNR-CABCVRRESA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)N1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001560254801 938249588 /nfs/dbraw/zinc/24/95/88/938249588.db2.gz KZENVLPVAMSAAK-ARJAWSKDSA-N 1 3 294.389 3.440 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC001560623155 938266493 /nfs/dbraw/zinc/26/64/93/938266493.db2.gz QPJCOFPQUGDTNJ-OTWHNJEPSA-N 1 3 284.447 3.384 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC001560623352 938266648 /nfs/dbraw/zinc/26/66/48/938266648.db2.gz UYYLXGPGYPNGOX-CFVMTHIKSA-N 1 3 298.352 3.135 20 0 CGADHO CCNc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC001560827690 938278365 /nfs/dbraw/zinc/27/83/65/938278365.db2.gz WMMWENIGLHYYPH-SJPCQFCGSA-N 1 3 287.451 3.175 20 0 CGADHO CCNc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC001560827690 938278366 /nfs/dbraw/zinc/27/83/66/938278366.db2.gz WMMWENIGLHYYPH-SJPCQFCGSA-N 1 3 287.451 3.175 20 0 CGADHO C(C[NH2+]C[C@@H]1CN2CCC1CC2)CC1CCCCC1 ZINC001561034619 938290726 /nfs/dbraw/zinc/29/07/26/938290726.db2.gz XPUPGUOWUMCDRY-QGZVFWFLSA-N 1 3 264.457 3.278 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](C(C)C)CC1 ZINC001257207821 960426205 /nfs/dbraw/zinc/42/62/05/960426205.db2.gz LZRIJDFPNCYRGG-GOSISDBHSA-N 1 3 272.436 3.445 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC001575422255 962373109 /nfs/dbraw/zinc/37/31/09/962373109.db2.gz GPONVFWBDXBARC-CWRNSKLLSA-N 1 3 278.415 3.234 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC001575422255 962373123 /nfs/dbraw/zinc/37/31/23/962373123.db2.gz GPONVFWBDXBARC-CWRNSKLLSA-N 1 3 278.415 3.234 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)NC[C@H]([NH3+])CC(F)(F)F ZINC001576057874 962429085 /nfs/dbraw/zinc/42/90/85/962429085.db2.gz VDNRLOFPBPEXKJ-GXSJLCMTSA-N 1 3 294.748 3.140 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001576309717 962449632 /nfs/dbraw/zinc/44/96/32/962449632.db2.gz COKKCWFZHKUVNM-DJIMGWMZSA-N 1 3 258.409 3.199 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001576309717 962449645 /nfs/dbraw/zinc/44/96/45/962449645.db2.gz COKKCWFZHKUVNM-DJIMGWMZSA-N 1 3 258.409 3.199 20 0 CGADHO CC1(C)CC[C@H](CN[C@@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421468 962456733 /nfs/dbraw/zinc/45/67/33/962456733.db2.gz LPNOKNMKZTWNIJ-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)[C@@H]1C ZINC001577262599 962517616 /nfs/dbraw/zinc/51/76/16/962517616.db2.gz KAFHAMZVVYOQNQ-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)[C@@H]1C ZINC001577262599 962517632 /nfs/dbraw/zinc/51/76/32/962517632.db2.gz KAFHAMZVVYOQNQ-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO C[NH2+]C[C@@H]1CCN(C[C@H](C)CSc2ccccc2C)C1 ZINC001578664454 962596324 /nfs/dbraw/zinc/59/63/24/962596324.db2.gz YOYQOIOMCZQRCW-HOCLYGCPSA-N 1 3 292.492 3.265 20 0 CGADHO Cc1ccc(OC(F)F)c(CN2CCC(CC[NH3+])CC2)c1 ZINC001579723274 962662149 /nfs/dbraw/zinc/66/21/49/962662149.db2.gz HTJHRMDJYWFJOT-UHFFFAOYSA-N 1 3 298.377 3.157 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](CN)C(C)C)C1 ZINC001579795334 962668389 /nfs/dbraw/zinc/66/83/89/962668389.db2.gz NPYWMHAQYQIBIC-CVEARBPZSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](CN)C(C)C)C1 ZINC001579795334 962668406 /nfs/dbraw/zinc/66/84/06/962668406.db2.gz NPYWMHAQYQIBIC-CVEARBPZSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccccc1OCCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC001579804877 962676912 /nfs/dbraw/zinc/67/69/12/962676912.db2.gz PMIKBWUAGGLNKB-ZACQAIPSSA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC001579804877 962676921 /nfs/dbraw/zinc/67/69/21/962676921.db2.gz PMIKBWUAGGLNKB-ZACQAIPSSA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC001579804877 962676927 /nfs/dbraw/zinc/67/69/27/962676927.db2.gz PMIKBWUAGGLNKB-ZACQAIPSSA-N 1 3 290.451 3.069 20 0 CGADHO [NH3+][C@@H]1CC12CC(NCc1cc(Cl)cc(Cl)c1F)C2 ZINC001580165895 962693198 /nfs/dbraw/zinc/69/31/98/962693198.db2.gz NOSFUDRZPQBESQ-DMLGSKKGSA-N 1 3 289.181 3.102 20 0 CGADHO NCC1(C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001580244092 962708684 /nfs/dbraw/zinc/70/86/84/962708684.db2.gz OVYNGCUXIBYERV-MQMHXKEQSA-N 1 3 298.352 3.280 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC12CCOCC2)CN1CCCC1 ZINC000337473388 214104785 /nfs/dbraw/zinc/10/47/85/214104785.db2.gz OFVZHZAYTHHMAL-MRXNPFEDSA-N 1 3 294.483 3.047 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000346436235 282110495 /nfs/dbraw/zinc/11/04/95/282110495.db2.gz DXYOHXBEWPGTPB-MRXNPFEDSA-N 1 3 290.451 3.295 20 0 CGADHO CSCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000590643433 346857465 /nfs/dbraw/zinc/85/74/65/346857465.db2.gz JVISKOCFABLWLV-HNNXBMFYSA-N 1 3 292.492 3.035 20 0 CGADHO CC[C@@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000125491267 187188108 /nfs/dbraw/zinc/18/81/08/187188108.db2.gz NFADHLYKQSDZOA-CYBMUJFWSA-N 1 3 266.454 3.348 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000651864999 398297946 /nfs/dbraw/zinc/29/79/46/398297946.db2.gz KOTSJSABYVCZCI-OKZBNKHCSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)(C[NH2+][C@H]1CC[C@@H]1C1CCC1)CN1CCCC1 ZINC000338014150 214360050 /nfs/dbraw/zinc/36/00/50/214360050.db2.gz GCZBEFNXBACEFJ-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423470299 529453880 /nfs/dbraw/zinc/45/38/80/529453880.db2.gz PDORMWWTWPBIMA-QEJZJMRPSA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423486581 529453954 /nfs/dbraw/zinc/45/39/54/529453954.db2.gz ZOMSWKUAVIJMQR-KBPBESRZSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000423480023 529569130 /nfs/dbraw/zinc/56/91/30/529569130.db2.gz VXZBTMJXLJXYQU-VXGBXAGGSA-N 1 3 260.356 3.367 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000423275873 529655885 /nfs/dbraw/zinc/65/58/85/529655885.db2.gz MEEXHFZHGRABNK-CWRNSKLLSA-N 1 3 264.388 3.384 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623433100 349809076 /nfs/dbraw/zinc/80/90/76/349809076.db2.gz ZXPJPOKCAQPZQB-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623433100 349809077 /nfs/dbraw/zinc/80/90/77/349809077.db2.gz ZXPJPOKCAQPZQB-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657261 349858513 /nfs/dbraw/zinc/85/85/13/349858513.db2.gz MIEASSJFFVTZBM-SJORKVTESA-N 1 3 274.452 3.248 20 0 CGADHO CCOc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)c(C)c1 ZINC000623656820 349857931 /nfs/dbraw/zinc/85/79/31/349857931.db2.gz CMXUFYHIFNQEGY-MRXNPFEDSA-N 1 3 290.451 3.215 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000441368332 529931601 /nfs/dbraw/zinc/93/16/01/529931601.db2.gz JYWHZOLSSDCVAU-LJQANCHMSA-N 1 3 286.463 3.482 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000441368332 529931602 /nfs/dbraw/zinc/93/16/02/529931602.db2.gz JYWHZOLSSDCVAU-LJQANCHMSA-N 1 3 286.463 3.482 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423256212 529986007 /nfs/dbraw/zinc/98/60/07/529986007.db2.gz BMOWSLVPQCRJKI-WBMJQRKESA-N 1 3 280.843 3.106 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423256212 529986008 /nfs/dbraw/zinc/98/60/08/529986008.db2.gz BMOWSLVPQCRJKI-WBMJQRKESA-N 1 3 280.843 3.106 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](CC(C)C)c1cccs1 ZINC000423271634 529999547 /nfs/dbraw/zinc/99/95/47/529999547.db2.gz JCCBJSDXWNBOKO-STQMWFEESA-N 1 3 254.443 3.280 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc4ccoc43)C2)C1 ZINC000449343044 530065221 /nfs/dbraw/zinc/06/52/21/530065221.db2.gz HGSHPNLMQFEUDT-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(Cc3cccc4ccoc43)C2)C1 ZINC000449343044 530065222 /nfs/dbraw/zinc/06/52/22/530065222.db2.gz HGSHPNLMQFEUDT-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO CCC1CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000040620916 344964123 /nfs/dbraw/zinc/96/41/23/344964123.db2.gz YUZZDCCJKYTJFT-HWOWSKLDSA-N 1 3 252.446 3.275 20 0 CGADHO CC[NH+]1CCC(CNCc2ccccc2OC(C)C)CC1 ZINC000044517747 345012349 /nfs/dbraw/zinc/01/23/49/345012349.db2.gz MCAYFRQKLUASED-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO CCc1ccc(CN2CCCC[C@H]2CC[NH3+])s1 ZINC000070148514 345388961 /nfs/dbraw/zinc/38/89/61/345388961.db2.gz HFWWZXJMJOHBLC-LBPRGKRZSA-N 1 3 252.427 3.014 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000069382241 345379679 /nfs/dbraw/zinc/37/96/79/345379679.db2.gz JTKQENXSUNAKSV-HZSPNIEDSA-N 1 3 292.389 3.427 20 0 CGADHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000075206862 345497378 /nfs/dbraw/zinc/49/73/78/345497378.db2.gz GURSNRFCZPMMNM-ALOPSCKCSA-N 1 3 258.409 3.018 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000480194923 535004915 /nfs/dbraw/zinc/00/49/15/535004915.db2.gz UIWBRRUAMXPKHD-SFHVURJKSA-N 1 3 274.452 3.328 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccccc1F)CN1CCCC1 ZINC000157535661 232233753 /nfs/dbraw/zinc/23/37/53/232233753.db2.gz LZLSAQZMVYQJEC-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](CN[C@H](C)Cc1ccccc1F)C[NH+]1CCCC1 ZINC000157535661 232233755 /nfs/dbraw/zinc/23/37/55/232233755.db2.gz LZLSAQZMVYQJEC-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646093 219159807 /nfs/dbraw/zinc/15/98/07/219159807.db2.gz ORNDORIYWPZFGQ-GJZGRUSLSA-N 1 3 293.480 3.197 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646093 219159809 /nfs/dbraw/zinc/15/98/09/219159809.db2.gz ORNDORIYWPZFGQ-GJZGRUSLSA-N 1 3 293.480 3.197 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1CCC(C)CC1)c1cccnc1 ZINC000091266516 345808982 /nfs/dbraw/zinc/80/89/82/345808982.db2.gz DVEJZOOEXXXHRZ-GOSISDBHSA-N 1 3 289.467 3.490 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093770323 345886236 /nfs/dbraw/zinc/88/62/36/345886236.db2.gz NJTSQWWLXUBKDF-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093770323 345886239 /nfs/dbraw/zinc/88/62/39/345886239.db2.gz NJTSQWWLXUBKDF-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093770323 345886243 /nfs/dbraw/zinc/88/62/43/345886243.db2.gz NJTSQWWLXUBKDF-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093770323 345886247 /nfs/dbraw/zinc/88/62/47/345886247.db2.gz NJTSQWWLXUBKDF-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000174017214 232293653 /nfs/dbraw/zinc/29/36/53/232293653.db2.gz BZICDHDMMLORFI-MRXNPFEDSA-N 1 3 290.451 3.187 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)CC1CC1 ZINC000161388419 346175100 /nfs/dbraw/zinc/17/51/00/346175100.db2.gz ALFPNCSLTMLMDU-OAGGEKHMSA-N 1 3 250.430 3.077 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248886178 346379492 /nfs/dbraw/zinc/37/94/92/346379492.db2.gz MDAKJRQMGYKNMI-RVKKMQEKSA-N 1 3 289.467 3.327 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000248886178 346379497 /nfs/dbraw/zinc/37/94/97/346379497.db2.gz MDAKJRQMGYKNMI-RVKKMQEKSA-N 1 3 289.467 3.327 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000250497396 346385429 /nfs/dbraw/zinc/38/54/29/346385429.db2.gz JTKQENXSUNAKSV-RDBSUJKOSA-N 1 3 292.389 3.427 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000250495891 346385628 /nfs/dbraw/zinc/38/56/28/346385628.db2.gz IYQOCJPPJLFYOW-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CNCC4)C2)cc1 ZINC000316993678 346485817 /nfs/dbraw/zinc/48/58/17/346485817.db2.gz UMHNCROIBCEHHB-LJQANCHMSA-N 1 3 292.426 3.322 20 0 CGADHO c1ccc([C@@H]2CC[N@H+](Cc3ccc4c(c3)CNCC4)C2)cc1 ZINC000316993678 346485820 /nfs/dbraw/zinc/48/58/20/346485820.db2.gz UMHNCROIBCEHHB-LJQANCHMSA-N 1 3 292.426 3.322 20 0 CGADHO CSCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000596650649 347498578 /nfs/dbraw/zinc/49/85/78/347498578.db2.gz MKOCTYPRCRWRNK-HRCADAONSA-N 1 3 296.524 3.420 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000351866993 219231994 /nfs/dbraw/zinc/23/19/94/219231994.db2.gz VSPSRBPAHJZLIN-RDTXWAMCSA-N 1 3 268.404 3.051 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000624121356 349978839 /nfs/dbraw/zinc/97/88/39/349978839.db2.gz ULZFMXJQAVHLTQ-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000624123041 349981546 /nfs/dbraw/zinc/98/15/46/349981546.db2.gz DQGISFVEDMBVSG-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO CCN(CC)CCC[N@H+](CC)Cc1cccc2n[nH]cc21 ZINC000628279714 350475600 /nfs/dbraw/zinc/47/56/00/350475600.db2.gz WBGISRVMKLLNOL-UHFFFAOYSA-N 1 3 288.439 3.117 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)Cc1cccc2n[nH]cc21 ZINC000628279714 350475602 /nfs/dbraw/zinc/47/56/02/350475602.db2.gz WBGISRVMKLLNOL-UHFFFAOYSA-N 1 3 288.439 3.117 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@H](C)NC1 ZINC000629535113 350705087 /nfs/dbraw/zinc/70/50/87/350705087.db2.gz BPXOKQGUFLPKPI-CTASWTNQSA-N 1 3 258.409 3.273 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629549781 350711027 /nfs/dbraw/zinc/71/10/27/350711027.db2.gz ICTIVQXGPSMKPA-MSOLQXFVSA-N 1 3 295.430 3.356 20 0 CGADHO FC1(F)C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000629550994 350711302 /nfs/dbraw/zinc/71/13/02/350711302.db2.gz RJNQLZOZFOIFNC-IYBDPMFKSA-N 1 3 292.373 3.094 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccnc(-c3ccccc3)c2)C1 ZINC000629551928 350711766 /nfs/dbraw/zinc/71/17/66/350711766.db2.gz XXYXGNPFHPDGHW-IRXDYDNUSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@H](C)C1(F)F ZINC000629552262 350711876 /nfs/dbraw/zinc/71/18/76/350711876.db2.gz GLKRTEYKSQEMPL-BETUJISGSA-N 1 3 294.389 3.055 20 0 CGADHO CC(C)C[C@H](C)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564260 350713518 /nfs/dbraw/zinc/71/35/18/350713518.db2.gz SFQCNKOWBFKBIJ-RWMBFGLXSA-N 1 3 280.378 3.128 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629563500 350713599 /nfs/dbraw/zinc/71/35/99/350713599.db2.gz RAFYXFHCICIJAN-QWHCGFSZSA-N 1 3 278.362 3.026 20 0 CGADHO CC(C)(C)CCCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565636 350714085 /nfs/dbraw/zinc/71/40/85/350714085.db2.gz WSKGJDGSIYCFLH-NEPJUHHUSA-N 1 3 280.378 3.272 20 0 CGADHO CCc1ccc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629583680 350714653 /nfs/dbraw/zinc/71/46/53/350714653.db2.gz IWNUNPDCKYRZDY-MRXNPFEDSA-N 1 3 272.436 3.038 20 0 CGADHO CCC[C@@H](C)CCCN(C1CC1)C1CC[NH2+]CC1 ZINC000629509885 350698958 /nfs/dbraw/zinc/69/89/58/350698958.db2.gz QDEKEJWYFFVXDD-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCC(F)(F)CC1 ZINC000629517087 350699613 /nfs/dbraw/zinc/69/96/13/350699613.db2.gz ADSZSTUOUWDDMU-AAEUAGOBSA-N 1 3 272.383 3.075 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCC(F)(F)CC1 ZINC000629517087 350699617 /nfs/dbraw/zinc/69/96/17/350699617.db2.gz ADSZSTUOUWDDMU-AAEUAGOBSA-N 1 3 272.383 3.075 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629512959 350700033 /nfs/dbraw/zinc/70/00/33/350700033.db2.gz DCODPYQSORMPEL-ALILYOIUSA-N 1 3 270.420 3.051 20 0 CGADHO CN(C)Cc1ccc(F)c(-c2cccc3c2C[NH2+]C3)c1 ZINC000629737432 350758787 /nfs/dbraw/zinc/75/87/87/350758787.db2.gz STTQDJHWLLYTCD-UHFFFAOYSA-N 1 3 270.351 3.158 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@H](C)O1 ZINC000631699274 351122040 /nfs/dbraw/zinc/12/20/40/351122040.db2.gz DHVIADRUDVBHNI-OSBBLCOHSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)[C@H](C)O1 ZINC000631699274 351122042 /nfs/dbraw/zinc/12/20/42/351122042.db2.gz DHVIADRUDVBHNI-OSBBLCOHSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3ncccc23)C[C@H]1CN ZINC000634687975 351574079 /nfs/dbraw/zinc/57/40/79/351574079.db2.gz DYYWOXNUQYBYDS-IJEWVQPXSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@H]1CN ZINC000634687975 351574084 /nfs/dbraw/zinc/57/40/84/351574084.db2.gz DYYWOXNUQYBYDS-IJEWVQPXSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cccc3ncccc23)C[C@H]1C[NH3+] ZINC000634687975 351574088 /nfs/dbraw/zinc/57/40/88/351574088.db2.gz DYYWOXNUQYBYDS-IJEWVQPXSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733790 351579654 /nfs/dbraw/zinc/57/96/54/351579654.db2.gz OCQDEDLHEGYUGP-HIFRSBDPSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733790 351579656 /nfs/dbraw/zinc/57/96/56/351579656.db2.gz OCQDEDLHEGYUGP-HIFRSBDPSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475174 198031260 /nfs/dbraw/zinc/03/12/60/198031260.db2.gz PTPDXUARZCRLAE-CZUORRHYSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475174 198031261 /nfs/dbraw/zinc/03/12/61/198031261.db2.gz PTPDXUARZCRLAE-CZUORRHYSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1nc2c(s1)CCCC2 ZINC000635006823 351624726 /nfs/dbraw/zinc/62/47/26/351624726.db2.gz TUEIPNJVVTXXRI-JHJVBQTASA-N 1 3 293.480 3.190 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CCC12CCCC2)Cc1ccccc1 ZINC000635010218 351628200 /nfs/dbraw/zinc/62/82/00/351628200.db2.gz ZDPSEPXTHGSMHY-IAGOWNOFSA-N 1 3 272.436 3.259 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009998 351628811 /nfs/dbraw/zinc/62/88/11/351628811.db2.gz ILYXCUXAPFYVCK-UAGQMJEPSA-N 1 3 290.451 3.130 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635010991 351629237 /nfs/dbraw/zinc/62/92/37/351629237.db2.gz OPSMUQQZBSSAAB-CYBMUJFWSA-N 1 3 286.444 3.115 20 0 CGADHO CC(C)[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1 ZINC000635012197 351630480 /nfs/dbraw/zinc/63/04/80/351630480.db2.gz RUHLUBBOUBPZJT-JKSUJKDBSA-N 1 3 275.440 3.147 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123193856 187076697 /nfs/dbraw/zinc/07/66/97/187076697.db2.gz BHSZRSWASLVNEA-RHSMWYFYSA-N 1 3 283.419 3.149 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123193856 187076698 /nfs/dbraw/zinc/07/66/98/187076698.db2.gz BHSZRSWASLVNEA-RHSMWYFYSA-N 1 3 283.419 3.149 20 0 CGADHO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCCN2CCCCC2)C1 ZINC000366002333 234144257 /nfs/dbraw/zinc/14/42/57/234144257.db2.gz UXJHHHFWHFYFFK-WMZOPIPTSA-N 1 3 287.451 3.341 20 0 CGADHO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCN2CCCCC2)C1 ZINC000366002333 234144260 /nfs/dbraw/zinc/14/42/60/234144260.db2.gz UXJHHHFWHFYFFK-WMZOPIPTSA-N 1 3 287.451 3.341 20 0 CGADHO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000271621677 191246157 /nfs/dbraw/zinc/24/61/57/191246157.db2.gz YPNARRYBNLUBCL-JKSUJKDBSA-N 1 3 275.440 3.161 20 0 CGADHO Cc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000369538222 234384201 /nfs/dbraw/zinc/38/42/01/234384201.db2.gz YERIKXSKQMNRGX-UHFFFAOYSA-N 1 3 258.409 3.102 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(Cl)c1 ZINC000271897494 191396820 /nfs/dbraw/zinc/39/68/20/191396820.db2.gz UOZCLBIKMQMSRG-GFCCVEGCSA-N 1 3 264.800 3.253 20 0 CGADHO Cc1occc1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000414368999 235397872 /nfs/dbraw/zinc/39/78/72/235397872.db2.gz UFKVCWMXTAVAPJ-UHFFFAOYSA-N 1 3 278.440 3.436 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414876582 235487423 /nfs/dbraw/zinc/48/74/23/235487423.db2.gz LQWIXFOZZADRPI-DFBGVHRSSA-N 1 3 266.816 3.161 20 0 CGADHO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415065947 235522817 /nfs/dbraw/zinc/52/28/17/235522817.db2.gz IABYLFPGLRRDIO-AEFFLSMTSA-N 1 3 272.436 3.130 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488061 138346652 /nfs/dbraw/zinc/34/66/52/138346652.db2.gz UFLSDDWPKWEBRR-FGTMMUONSA-N 1 3 290.426 3.269 20 0 CGADHO Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)cc1 ZINC000093488061 138346653 /nfs/dbraw/zinc/34/66/53/138346653.db2.gz UFLSDDWPKWEBRR-FGTMMUONSA-N 1 3 290.426 3.269 20 0 CGADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000093491148 138346954 /nfs/dbraw/zinc/34/69/54/138346954.db2.gz TYTQJBJAUQAXJV-OWCLPIDISA-N 1 3 278.465 3.191 20 0 CGADHO CCCOc1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000110645436 138363435 /nfs/dbraw/zinc/36/34/35/138363435.db2.gz JDPFUTCXMCJBAW-CQSZACIVSA-N 1 3 276.424 3.035 20 0 CGADHO CC[N@H+](CCCN1CCCCC1)Cc1cccs1 ZINC000124841565 138378107 /nfs/dbraw/zinc/37/81/07/138378107.db2.gz UMJNJOLDXOAKSZ-UHFFFAOYSA-N 1 3 266.454 3.446 20 0 CGADHO CC[N@@H+](CCCN1CCCCC1)Cc1cccs1 ZINC000124841565 138378108 /nfs/dbraw/zinc/37/81/08/138378108.db2.gz UMJNJOLDXOAKSZ-UHFFFAOYSA-N 1 3 266.454 3.446 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000124774277 138377722 /nfs/dbraw/zinc/37/77/22/138377722.db2.gz BWIRKHKOTHSIDH-BBRMVZONSA-N 1 3 264.388 3.303 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124774277 138377723 /nfs/dbraw/zinc/37/77/23/138377723.db2.gz BWIRKHKOTHSIDH-BBRMVZONSA-N 1 3 264.388 3.303 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000422884336 235936064 /nfs/dbraw/zinc/93/60/64/235936064.db2.gz RVYOCRUHCNAVPV-AXFHLTTASA-N 1 3 272.339 3.064 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423133438 235979175 /nfs/dbraw/zinc/97/91/75/235979175.db2.gz KMGRHAYBUSWEOE-VPAKFMSCSA-N 1 3 284.447 3.300 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCCC[C@@H]3CN)CC2)c(C)c1 ZINC000423143485 235981554 /nfs/dbraw/zinc/98/15/54/235981554.db2.gz DFNZLJKPPNCROF-SJLPKXTDSA-N 1 3 286.463 3.442 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](c1cccs1)C1CCCC1 ZINC000423227419 236002126 /nfs/dbraw/zinc/00/21/26/236002126.db2.gz VQDZFDKICNRCFI-SMDDNHRTSA-N 1 3 252.427 3.306 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(F)c2ccccc21 ZINC000423331770 236040700 /nfs/dbraw/zinc/04/07/00/236040700.db2.gz UVSDIEILCBQWAO-APPDUMDISA-N 1 3 272.367 3.367 20 0 CGADHO COc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1SC ZINC000423392443 236060721 /nfs/dbraw/zinc/06/07/21/236060721.db2.gz QEIIIHBQDXHSMF-YUTCNCBUSA-N 1 3 294.464 3.338 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423383771 236057492 /nfs/dbraw/zinc/05/74/92/236057492.db2.gz KRWOFHCTOKWLFQ-BZUAXINKSA-N 1 3 262.372 3.136 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000423473588 236080449 /nfs/dbraw/zinc/08/04/49/236080449.db2.gz YOQUXKMLJNBVON-GVXVVHGQSA-N 1 3 268.351 3.133 20 0 CGADHO COC[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423490368 236085228 /nfs/dbraw/zinc/08/52/28/236085228.db2.gz XOKOWDSRGIVDQY-HOTGVXAUSA-N 1 3 296.842 3.149 20 0 CGADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCNC1CC1 ZINC000423553066 236098329 /nfs/dbraw/zinc/09/83/29/236098329.db2.gz KFEOMPNBQHMWGB-BBRMVZONSA-N 1 3 258.409 3.275 20 0 CGADHO C[C@@H]1CC2(CN1Cc1cc(Cl)ccc1F)CC[NH2+]CC2 ZINC000424373368 236158149 /nfs/dbraw/zinc/15/81/49/236158149.db2.gz GQXIZQORHDZNND-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccc(Cl)s1)CC[NH2+]CC2 ZINC000424286064 236142239 /nfs/dbraw/zinc/14/22/39/236142239.db2.gz GWQCHFWPFMHTOC-NSHDSACASA-N 1 3 284.856 3.366 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424326830 236150202 /nfs/dbraw/zinc/15/02/02/236150202.db2.gz PIYSOCRNJPVFFE-MHORFTMASA-N 1 3 282.431 3.039 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1CC1 ZINC000425932120 236274178 /nfs/dbraw/zinc/27/41/78/236274178.db2.gz ORJHJGQPDMQGQL-RDTXWAMCSA-N 1 3 274.452 3.103 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1)CN(C)C ZINC000425951512 236275403 /nfs/dbraw/zinc/27/54/03/236275403.db2.gz MWVNWZGCNDRWNQ-PVAVHDDUSA-N 1 3 260.425 3.110 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)CN(C)C ZINC000425948355 236275473 /nfs/dbraw/zinc/27/54/73/236275473.db2.gz AIZYEOWJKSFPRK-XOKHGSTOSA-N 1 3 278.415 3.249 20 0 CGADHO FC1(F)CC(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000425951681 236275499 /nfs/dbraw/zinc/27/54/99/236275499.db2.gz DOIKDWFSZWLNCL-UHFFFAOYSA-N 1 3 286.410 3.418 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000252177396 291147629 /nfs/dbraw/zinc/14/76/29/291147629.db2.gz SGMPCEDTIXWXND-DGADGQDISA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)C1CNC1 ZINC000422935281 299286748 /nfs/dbraw/zinc/28/67/48/299286748.db2.gz HCHLQAWZGUSSKC-OPFPJEHXSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000178035156 299290013 /nfs/dbraw/zinc/29/00/13/299290013.db2.gz NJQRSIYISDTIKA-ZNMIVQPWSA-N 1 3 296.480 3.288 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422815086 299307279 /nfs/dbraw/zinc/30/72/79/299307279.db2.gz ASUWNAIDGOBKOU-ZDEQEGDKSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCCN1 ZINC000422815086 299307281 /nfs/dbraw/zinc/30/72/81/299307281.db2.gz ASUWNAIDGOBKOU-ZDEQEGDKSA-N 1 3 278.362 3.085 20 0 CGADHO Cc1cc(C)cc(OCCN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000177947089 189081325 /nfs/dbraw/zinc/08/13/25/189081325.db2.gz GNCQRVOBXUSXAK-BQFCYCMXSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cc(C)cc(OCCN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947089 189081326 /nfs/dbraw/zinc/08/13/26/189081326.db2.gz GNCQRVOBXUSXAK-BQFCYCMXSA-N 1 3 290.451 3.001 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000178364377 189110908 /nfs/dbraw/zinc/11/09/08/189110908.db2.gz KBYCVQBZGZCRKZ-UONOGXRCSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000342143452 216236625 /nfs/dbraw/zinc/23/66/25/216236625.db2.gz TYEMMWBCIURKFN-SNVBAGLBSA-N 1 3 288.313 3.117 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)cc1 ZINC000342172950 216246997 /nfs/dbraw/zinc/24/69/97/216246997.db2.gz SJESKJFLRZZFFK-ZDUSSCGKSA-N 1 3 252.789 3.262 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082901 239167072 /nfs/dbraw/zinc/16/70/72/239167072.db2.gz QOVUNAYGJNGJDI-OAUYIBNBSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082901 239167075 /nfs/dbraw/zinc/16/70/75/239167075.db2.gz QOVUNAYGJNGJDI-OAUYIBNBSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](Cc1ccoc1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000449083044 239167104 /nfs/dbraw/zinc/16/71/04/239167104.db2.gz RUUQPVSRVLVVBK-BZUAXINKSA-N 1 3 278.440 3.168 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000449083044 239167107 /nfs/dbraw/zinc/16/71/07/239167107.db2.gz RUUQPVSRVLVVBK-BZUAXINKSA-N 1 3 278.440 3.168 20 0 CGADHO CCOCCC[N@@H+]1CC[C@@H](NCC2=CCCCC2)[C@H](C)C1 ZINC000450750641 240068283 /nfs/dbraw/zinc/06/82/83/240068283.db2.gz BEYBZVSLFKZIFI-SJLPKXTDSA-N 1 3 294.483 3.213 20 0 CGADHO CCOCCC[N@H+]1CC[C@@H](NCC2=CCCCC2)[C@H](C)C1 ZINC000450750641 240068287 /nfs/dbraw/zinc/06/82/87/240068287.db2.gz BEYBZVSLFKZIFI-SJLPKXTDSA-N 1 3 294.483 3.213 20 0 CGADHO CC(C)c1ncc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335543082 212242874 /nfs/dbraw/zinc/24/28/74/212242874.db2.gz HYZWCVNQBHQRPZ-CYBMUJFWSA-N 1 3 293.480 3.231 20 0 CGADHO Cc1cc2[nH]c(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2c(C)c1 ZINC000479538344 243110986 /nfs/dbraw/zinc/11/09/86/243110986.db2.gz BUCOWCPDWCTKGJ-HNNXBMFYSA-N 1 3 297.446 3.359 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCCN2CCCC2)c2ccccc21 ZINC000480163032 243139609 /nfs/dbraw/zinc/13/96/09/243139609.db2.gz VQEQORKSTDELDJ-QGZVFWFLSA-N 1 3 272.436 3.485 20 0 CGADHO C[N@H+](CCCN1CCCCC1)CCc1ccc(F)cc1 ZINC000482704271 243240821 /nfs/dbraw/zinc/24/08/21/243240821.db2.gz FYBKNAWCFIIOIL-UHFFFAOYSA-N 1 3 278.415 3.176 20 0 CGADHO C[N@@H+](CCCN1CCCCC1)CCc1ccc(F)cc1 ZINC000482704271 243240825 /nfs/dbraw/zinc/24/08/25/243240825.db2.gz FYBKNAWCFIIOIL-UHFFFAOYSA-N 1 3 278.415 3.176 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000011888400 368598507 /nfs/dbraw/zinc/59/85/07/368598507.db2.gz FAYUNRZIIMETAN-HNNXBMFYSA-N 1 3 260.425 3.155 20 0 CGADHO CC(C)[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000124750643 370927828 /nfs/dbraw/zinc/92/78/28/370927828.db2.gz HMDGAJBZBPYTOS-SJORKVTESA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000124750643 370927832 /nfs/dbraw/zinc/92/78/32/370927832.db2.gz HMDGAJBZBPYTOS-SJORKVTESA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000124750643 370927834 /nfs/dbraw/zinc/92/78/34/370927834.db2.gz HMDGAJBZBPYTOS-SJORKVTESA-N 1 3 260.425 3.458 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000019914975 368783169 /nfs/dbraw/zinc/78/31/69/368783169.db2.gz KOOGQGQKMCLURA-GJZGRUSLSA-N 1 3 263.429 3.243 20 0 CGADHO CC[N@@H+]1CCC[C@H]1CNCc1ccc2ccccc2c1 ZINC000019959431 368790848 /nfs/dbraw/zinc/79/08/48/368790848.db2.gz JLYXHBXRQSWXGF-SFHVURJKSA-N 1 3 268.404 3.414 20 0 CGADHO CC[N@H+]1CCC[C@H]1CNCc1ccc2ccccc2c1 ZINC000019959431 368790851 /nfs/dbraw/zinc/79/08/51/368790851.db2.gz JLYXHBXRQSWXGF-SFHVURJKSA-N 1 3 268.404 3.414 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2cc(C)sc2C)CC1 ZINC000037122866 369064046 /nfs/dbraw/zinc/06/40/46/369064046.db2.gz UDGKRZSJWZSYDB-GFCCVEGCSA-N 1 3 266.454 3.500 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649219 369094455 /nfs/dbraw/zinc/09/44/55/369094455.db2.gz UWYVFQNLABPWIN-HUUCEWRRSA-N 1 3 288.435 3.220 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649219 369094462 /nfs/dbraw/zinc/09/44/62/369094462.db2.gz UWYVFQNLABPWIN-HUUCEWRRSA-N 1 3 288.435 3.220 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037648949 369095516 /nfs/dbraw/zinc/09/55/16/369095516.db2.gz KZYAYHHDJULKIU-INIZCTEOSA-N 1 3 288.435 3.048 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1cc(Cl)ccc1Cl ZINC000037714852 369100605 /nfs/dbraw/zinc/10/06/05/369100605.db2.gz MFTYNWNMRCUCCI-SECBINFHSA-N 1 3 261.196 3.383 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)CN1CCCCC1 ZINC000037997628 369136385 /nfs/dbraw/zinc/13/63/85/369136385.db2.gz PPUOWDBTQKWQPY-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](NCCCC[NH+](C)C)c1ccccc1Cl ZINC000045662741 369283896 /nfs/dbraw/zinc/28/38/96/369283896.db2.gz JLNBUVNLVIOHPP-GFCCVEGCSA-N 1 3 254.805 3.332 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000049529304 369406545 /nfs/dbraw/zinc/40/65/45/369406545.db2.gz FMEVFLLDUPVSBK-GSPSYOTPSA-N 1 3 264.438 3.414 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000049529304 369406550 /nfs/dbraw/zinc/40/65/50/369406550.db2.gz FMEVFLLDUPVSBK-GSPSYOTPSA-N 1 3 264.438 3.414 20 0 CGADHO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000128988752 370969839 /nfs/dbraw/zinc/96/98/39/370969839.db2.gz XUDAELKEWDJOKT-HLLBOEOZSA-N 1 3 290.451 3.292 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000129007783 370970334 /nfs/dbraw/zinc/97/03/34/370970334.db2.gz LKCPCGUQEVRZCO-ZDUSSCGKSA-N 1 3 266.816 3.080 20 0 CGADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077529 369617518 /nfs/dbraw/zinc/61/75/18/369617518.db2.gz CRZPMTRMYSAXLZ-JKSUJKDBSA-N 1 3 290.451 3.035 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)[C@@H]1CCCNC1 ZINC000423153710 296149166 /nfs/dbraw/zinc/14/91/66/296149166.db2.gz GTVZNZGEEKKFQA-LJIZCISZSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169805 369786070 /nfs/dbraw/zinc/78/60/70/369786070.db2.gz IUPFEISZYYIURW-QWHCGFSZSA-N 1 3 266.816 3.462 20 0 CGADHO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000090725589 370068085 /nfs/dbraw/zinc/06/80/85/370068085.db2.gz WGCCDRJHPYJYIY-KGLIPLIRSA-N 1 3 296.480 3.029 20 0 CGADHO CN(Cc1ccc(Cl)c(F)c1)CC1CC[NH+](C)CC1 ZINC000093089333 370108233 /nfs/dbraw/zinc/10/82/33/370108233.db2.gz IUZRBJMOZUAKKC-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000093089333 370108237 /nfs/dbraw/zinc/10/82/37/370108237.db2.gz IUZRBJMOZUAKKC-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000093089333 370108240 /nfs/dbraw/zinc/10/82/40/370108240.db2.gz IUZRBJMOZUAKKC-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)CN1CCCCC1 ZINC000094424023 370167791 /nfs/dbraw/zinc/16/77/91/370167791.db2.gz YNUBWCXPBUPDGM-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](CN[C@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCCC1 ZINC000094424023 370167794 /nfs/dbraw/zinc/16/77/94/370167794.db2.gz YNUBWCXPBUPDGM-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000339086059 296157583 /nfs/dbraw/zinc/15/75/83/296157583.db2.gz VVSGEMHFNWTVBZ-BPKGMFCQSA-N 1 3 294.483 3.185 20 0 CGADHO CCC[N@H+](Cc1ccc(F)c(Cl)c1)C1CCNCC1 ZINC000219647701 376200781 /nfs/dbraw/zinc/20/07/81/376200781.db2.gz OVARKFZDBVXEGL-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO CCC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CCNCC1 ZINC000219647701 376200786 /nfs/dbraw/zinc/20/07/86/376200786.db2.gz OVARKFZDBVXEGL-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000130266070 371022004 /nfs/dbraw/zinc/02/20/04/371022004.db2.gz WLXAEYKGBRTJOA-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000133290617 371241438 /nfs/dbraw/zinc/24/14/38/371241438.db2.gz NJURDKLNSRJAOZ-DLBZAZTESA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000133290617 371241440 /nfs/dbraw/zinc/24/14/40/371241440.db2.gz NJURDKLNSRJAOZ-DLBZAZTESA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000133290617 371241446 /nfs/dbraw/zinc/24/14/46/371241446.db2.gz NJURDKLNSRJAOZ-DLBZAZTESA-N 1 3 272.436 3.474 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]CCCN1CCC(C)CC1 ZINC000134115784 371304709 /nfs/dbraw/zinc/30/47/09/371304709.db2.gz PEBSEQWEHIFYSC-MRXNPFEDSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](Cc1ccccc1F)NCCC[NH+]1CCC(C)CC1 ZINC000134115784 371304719 /nfs/dbraw/zinc/30/47/19/371304719.db2.gz PEBSEQWEHIFYSC-MRXNPFEDSA-N 1 3 292.442 3.468 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150104827 371532407 /nfs/dbraw/zinc/53/24/07/371532407.db2.gz QVAFDFMXXLKZFU-ZDUSSCGKSA-N 1 3 268.351 3.056 20 0 CGADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)CCCC1 ZINC000421820073 371642250 /nfs/dbraw/zinc/64/22/50/371642250.db2.gz KNWRDPFQDFSKDH-OAHLLOKOSA-N 1 3 290.451 3.186 20 0 CGADHO COC1([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)CCCC1 ZINC000421835796 371659339 /nfs/dbraw/zinc/65/93/39/371659339.db2.gz FXPBBZNTHSEEMB-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)CCCC1 ZINC000421835796 371659342 /nfs/dbraw/zinc/65/93/42/371659342.db2.gz FXPBBZNTHSEEMB-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ccncc1Cl ZINC000421860987 371682944 /nfs/dbraw/zinc/68/29/44/371682944.db2.gz UVNUORPAVFFGBD-LBPRGKRZSA-N 1 3 281.831 3.260 20 0 CGADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ccncc1Cl ZINC000421860987 371682954 /nfs/dbraw/zinc/68/29/54/371682954.db2.gz UVNUORPAVFFGBD-LBPRGKRZSA-N 1 3 281.831 3.260 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccncc1Cl ZINC000421863721 371686512 /nfs/dbraw/zinc/68/65/12/371686512.db2.gz XNZGKTCKFRXVBV-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863721 371686514 /nfs/dbraw/zinc/68/65/14/371686514.db2.gz XNZGKTCKFRXVBV-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152435867 371694085 /nfs/dbraw/zinc/69/40/85/371694085.db2.gz COBQJAZNNLTSEP-OLZOCXBDSA-N 1 3 290.476 3.372 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152435867 371694093 /nfs/dbraw/zinc/69/40/93/371694093.db2.gz COBQJAZNNLTSEP-OLZOCXBDSA-N 1 3 290.476 3.372 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](CCCCOc2ccccc2)C[C@H]1CN ZINC000422564332 371752353 /nfs/dbraw/zinc/75/23/53/371752353.db2.gz VRCWFJGTDYEUOG-BRWVUGGUSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCOc2ccccc2)C[C@H]1CN ZINC000422564332 371752361 /nfs/dbraw/zinc/75/23/61/371752361.db2.gz VRCWFJGTDYEUOG-BRWVUGGUSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@@H](C)N(CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000422564332 371752365 /nfs/dbraw/zinc/75/23/65/371752365.db2.gz VRCWFJGTDYEUOG-BRWVUGGUSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422715236 371765545 /nfs/dbraw/zinc/76/55/45/371765545.db2.gz SBKDVZKDGXDVOW-WKULXVSPSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@H](NCC(C)(C)c1ccc(F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422725512 371770807 /nfs/dbraw/zinc/77/08/07/371770807.db2.gz BNRYNFISFCFRIC-NWDGAFQWSA-N 1 3 298.833 3.344 20 0 CGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000422762296 371792851 /nfs/dbraw/zinc/79/28/51/371792851.db2.gz MOUIPERNCJQDSZ-LXZKKBNFSA-N 1 3 276.424 3.124 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000422734785 371775477 /nfs/dbraw/zinc/77/54/77/371775477.db2.gz UAQKQJJKEQBVEN-VXGBXAGGSA-N 1 3 261.413 3.078 20 0 CGADHO c1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422748997 371782677 /nfs/dbraw/zinc/78/26/77/371782677.db2.gz WZEWWBKPEBGOAD-QZTJIDSGSA-N 1 3 266.388 3.270 20 0 CGADHO CN(CCCC[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422746569 371782998 /nfs/dbraw/zinc/78/29/98/371782998.db2.gz ZVHPFLOJGFHATC-FUHWJXTLSA-N 1 3 289.467 3.010 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000422755956 371787568 /nfs/dbraw/zinc/78/75/68/371787568.db2.gz IHQAJMDQMCYKOO-RWMBFGLXSA-N 1 3 252.427 3.095 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)COC(C)C ZINC000337344238 214018252 /nfs/dbraw/zinc/01/82/52/214018252.db2.gz TURFUBAMCIRNFZ-MRXNPFEDSA-N 1 3 292.467 3.432 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422821747 371829572 /nfs/dbraw/zinc/82/95/72/371829572.db2.gz YFMIJKOFBXQSRO-LOWDOPEQSA-N 1 3 278.362 3.072 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422835599 371832381 /nfs/dbraw/zinc/83/23/81/371832381.db2.gz PREWIDYALOZZQX-PBHICJAKSA-N 1 3 294.414 3.092 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000422772160 371797358 /nfs/dbraw/zinc/79/73/58/371797358.db2.gz YXTPRHZAPBIPLH-LSDHHAIUSA-N 1 3 262.441 3.458 20 0 CGADHO CC(C)c1ccc(CCCN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422772160 371797364 /nfs/dbraw/zinc/79/73/64/371797364.db2.gz YXTPRHZAPBIPLH-LSDHHAIUSA-N 1 3 262.441 3.458 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000422781308 371804407 /nfs/dbraw/zinc/80/44/07/371804407.db2.gz LPAQKRABGPYJPP-RVKKMQEKSA-N 1 3 290.451 3.167 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000422792570 371810381 /nfs/dbraw/zinc/81/03/81/371810381.db2.gz ZMASDTRURNIDLH-XUWXXGDYSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCOc1ccccc1 ZINC000422792215 371810993 /nfs/dbraw/zinc/81/09/93/371810993.db2.gz QYVHLBDOJJAHHU-QFBILLFUSA-N 1 3 298.430 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000422792571 371811371 /nfs/dbraw/zinc/81/13/71/371811371.db2.gz ZMASDTRURNIDLH-YEWWUXTCSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(Cl)cc1 ZINC000422799000 371815091 /nfs/dbraw/zinc/81/50/91/371815091.db2.gz UPSULHVSVSOGMB-IOASZLSFSA-N 1 3 296.842 3.085 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422803699 371817634 /nfs/dbraw/zinc/81/76/34/371817634.db2.gz GGFFNPONHICYIP-UJJTZGENSA-N 1 3 290.426 3.265 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000422806181 371821002 /nfs/dbraw/zinc/82/10/02/371821002.db2.gz MVXIDBMINFDIHM-HBNTYKKESA-N 1 3 274.330 3.482 20 0 CGADHO CC[C@@H](N[C@H](C)CCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805688 371821465 /nfs/dbraw/zinc/82/14/65/371821465.db2.gz HBSNAKGMDSIXPJ-RKDXNWHRSA-N 1 3 295.374 3.330 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422813355 371827635 /nfs/dbraw/zinc/82/76/35/371827635.db2.gz RQWXPWVTQPAGFK-RDJZCZTQSA-N 1 3 272.436 3.215 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422857750 371843089 /nfs/dbraw/zinc/84/30/89/371843089.db2.gz YXUAOSUGAAFDBY-BFYDXBDKSA-N 1 3 260.425 3.158 20 0 CGADHO COCCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000422889414 371855084 /nfs/dbraw/zinc/85/50/84/371855084.db2.gz PLPDTNADHIZGSM-DLBZAZTESA-N 1 3 288.435 3.318 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422893636 371858158 /nfs/dbraw/zinc/85/81/58/371858158.db2.gz QUPRKPWJTJSJKC-PRLABOORSA-N 1 3 252.446 3.179 20 0 CGADHO CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)CCCC[NH3+] ZINC000422912220 371862642 /nfs/dbraw/zinc/86/26/42/371862642.db2.gz MSEDDPIRDFZLRM-KBPBESRZSA-N 1 3 288.439 3.224 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948499 371886084 /nfs/dbraw/zinc/88/60/84/371886084.db2.gz SAHDAXXBJMGFBH-ZIAGYGMSSA-N 1 3 284.350 3.038 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@H]3CCNCC[C@@H]3C)c[nH]c21 ZINC000422914517 371866141 /nfs/dbraw/zinc/86/61/41/371866141.db2.gz UOBWLLAMLXLEEF-KSSFIOAISA-N 1 3 299.462 3.251 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2Cc2ccccc2)c2ccccc21 ZINC000422915066 371866507 /nfs/dbraw/zinc/86/65/07/371866507.db2.gz AOAIQKAHMXXIDQ-VLQPXKRTSA-N 1 3 278.399 3.352 20 0 CGADHO CC(C)(CN[C@@H]1CCC[NH2+]CC1)c1c(F)cccc1Cl ZINC000422916964 371867137 /nfs/dbraw/zinc/86/71/37/371867137.db2.gz CDIPYPDCAUFQKM-GFCCVEGCSA-N 1 3 298.833 3.488 20 0 CGADHO C[C@H](NCC(C)(C)c1c(F)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000422922229 371872196 /nfs/dbraw/zinc/87/21/96/371872196.db2.gz SGMMEYMDVJGZKI-RYUDHWBXSA-N 1 3 298.833 3.344 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422924769 371873568 /nfs/dbraw/zinc/87/35/68/371873568.db2.gz BDTMJCJWAQJPRP-PBHICJAKSA-N 1 3 290.451 3.080 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933460 371877286 /nfs/dbraw/zinc/87/72/86/371877286.db2.gz HTKLFEJSDXVYNH-KGLIPLIRSA-N 1 3 297.240 3.199 20 0 CGADHO CSCc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000423064749 371943038 /nfs/dbraw/zinc/94/30/38/371943038.db2.gz ZQYSGUHZXOKVES-JKSUJKDBSA-N 1 3 278.465 3.299 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422993442 371906720 /nfs/dbraw/zinc/90/67/20/371906720.db2.gz FNGVFZIMSYPNGR-SJORKVTESA-N 1 3 272.436 3.116 20 0 CGADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@H](C)C1C[NH2+]C1 ZINC000423005379 371912739 /nfs/dbraw/zinc/91/27/39/371912739.db2.gz RSEFLJRIJGUCNV-GDBMZVCRSA-N 1 3 292.492 3.372 20 0 CGADHO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@H](C)C1CNC1 ZINC000423005379 371912744 /nfs/dbraw/zinc/91/27/44/371912744.db2.gz RSEFLJRIJGUCNV-GDBMZVCRSA-N 1 3 292.492 3.372 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H](CCO)C2CCCCC2)c2ccccc21 ZINC000423009450 371915051 /nfs/dbraw/zinc/91/50/51/371915051.db2.gz VPXJDPGXUAYBQA-KZNAEPCWSA-N 1 3 288.435 3.052 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423025683 371921999 /nfs/dbraw/zinc/92/19/99/371921999.db2.gz OZOSFMWFCJMTNU-CZUORRHYSA-N 1 3 292.854 3.479 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000423026943 371922127 /nfs/dbraw/zinc/92/21/27/371922127.db2.gz QNTWAIJLBZACEN-XYPWUTKMSA-N 1 3 264.457 3.466 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423038633 371927982 /nfs/dbraw/zinc/92/79/82/371927982.db2.gz OSTKFIUWPCXQFN-FAAHXZRKSA-N 1 3 293.480 3.065 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423093393 371957486 /nfs/dbraw/zinc/95/74/86/371957486.db2.gz HINBQYPCZPGMJP-GMZLATJGSA-N 1 3 264.388 3.177 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093601 371958479 /nfs/dbraw/zinc/95/84/79/371958479.db2.gz IEBVOTACVZZPSQ-FHIRATQRSA-N 1 3 276.399 3.049 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423096210 371960243 /nfs/dbraw/zinc/96/02/43/371960243.db2.gz HHYQKJAJGWZFAU-AHCXZYCDSA-N 1 3 272.436 3.491 20 0 CGADHO CSc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423097278 371960964 /nfs/dbraw/zinc/96/09/64/371960964.db2.gz QPMRYWWELROJSB-HZPDHXFCSA-N 1 3 278.465 3.201 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423099858 371963586 /nfs/dbraw/zinc/96/35/86/371963586.db2.gz BBVZBLVEBLEGNA-FRRDWIJNSA-N 1 3 290.373 3.229 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423106951 371969446 /nfs/dbraw/zinc/96/94/46/371969446.db2.gz RWLUTQMFRAGAFW-KONPQCLYSA-N 1 3 272.436 3.348 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423114085 371972409 /nfs/dbraw/zinc/97/24/09/371972409.db2.gz LHEOYFQXHNSKSL-AAEUAGOBSA-N 1 3 297.393 3.325 20 0 CGADHO C[C@@H](NCC1CC(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423117045 371975325 /nfs/dbraw/zinc/97/53/25/371975325.db2.gz SPXVGUYWBCVDRF-RYKRPPSOSA-N 1 3 272.436 3.300 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423170977 372002566 /nfs/dbraw/zinc/00/25/66/372002566.db2.gz ZEGGLJQFDFQBLZ-RRQGHBQHSA-N 1 3 275.440 3.324 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000156576365 371987031 /nfs/dbraw/zinc/98/70/31/371987031.db2.gz SORGABBTIRHDGD-QIIPPGSGSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000156576365 371987038 /nfs/dbraw/zinc/98/70/38/371987038.db2.gz SORGABBTIRHDGD-QIIPPGSGSA-N 1 3 288.435 3.145 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@@H]2CCCNCC2)cc1 ZINC000423152739 371994627 /nfs/dbraw/zinc/99/46/27/371994627.db2.gz FLMPMRPAUYPSCZ-KURKYZTESA-N 1 3 272.436 3.302 20 0 CGADHO Clc1cccc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423162460 371997933 /nfs/dbraw/zinc/99/79/33/371997933.db2.gz PHTATTIOHHIFSP-XYPWUTKMSA-N 1 3 290.838 3.288 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169948 371999603 /nfs/dbraw/zinc/99/96/03/371999603.db2.gz KRHUYPJFKDCGGF-DMTCVQMQSA-N 1 3 282.790 3.052 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169948 371999608 /nfs/dbraw/zinc/99/96/08/371999608.db2.gz KRHUYPJFKDCGGF-DMTCVQMQSA-N 1 3 282.790 3.052 20 0 CGADHO C[C@H](NC1(Cc2cccc(Cl)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000423167523 372000000 /nfs/dbraw/zinc/00/00/00/372000000.db2.gz WZORIBHXBDLSTL-JSGCOSHPSA-N 1 3 278.827 3.003 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@H]2CCNCC[C@H]2C)c1C ZINC000423081329 371952856 /nfs/dbraw/zinc/95/28/56/371952856.db2.gz CUGVJQJSMDAHAR-WBVHZDCISA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(OCCCN[C@H]2CC[NH2+]CC[C@H]2C)c1C ZINC000423081329 371952866 /nfs/dbraw/zinc/95/28/66/371952866.db2.gz CUGVJQJSMDAHAR-WBVHZDCISA-N 1 3 290.451 3.050 20 0 CGADHO c1cnc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000423089609 371956626 /nfs/dbraw/zinc/95/66/26/371956626.db2.gz VQHFDDHYLAAHDM-YTQUADARSA-N 1 3 295.430 3.245 20 0 CGADHO C[C@@H](NC1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423188261 372014891 /nfs/dbraw/zinc/01/48/91/372014891.db2.gz PXZKFVGUJUGURQ-NWDGAFQWSA-N 1 3 289.448 3.130 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)[C@H](C)c1nc2ccccc2s1 ZINC000423188261 372014895 /nfs/dbraw/zinc/01/48/95/372014895.db2.gz PXZKFVGUJUGURQ-NWDGAFQWSA-N 1 3 289.448 3.130 20 0 CGADHO COCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000423190959 372016802 /nfs/dbraw/zinc/01/68/02/372016802.db2.gz SFOWGSUPBOKAPG-KWXGJIJISA-N 1 3 294.483 3.092 20 0 CGADHO CCC[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccnc1 ZINC000423194919 372018682 /nfs/dbraw/zinc/01/86/82/372018682.db2.gz ZMUGOPKGKAFAPT-GOSISDBHSA-N 1 3 298.434 3.087 20 0 CGADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000423194244 372019144 /nfs/dbraw/zinc/01/91/44/372019144.db2.gz YQUYTMBWUUEEKG-AWEZNQCLSA-N 1 3 287.382 3.051 20 0 CGADHO Cc1ccc(CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157438120 372021307 /nfs/dbraw/zinc/02/13/07/372021307.db2.gz VKQUHSLXSNIKHX-IBGZPJMESA-N 1 3 286.463 3.488 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290588605 372024493 /nfs/dbraw/zinc/02/44/93/372024493.db2.gz VCFVYBUMCRMHMN-NJMKNOHLSA-N 1 3 272.436 3.362 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290588605 372024500 /nfs/dbraw/zinc/02/45/00/372024500.db2.gz VCFVYBUMCRMHMN-NJMKNOHLSA-N 1 3 272.436 3.362 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423199634 372025081 /nfs/dbraw/zinc/02/50/81/372025081.db2.gz KFYUQUIUWLWUFE-CQSZACIVSA-N 1 3 276.424 3.398 20 0 CGADHO COc1cccc2c1CC[C@H]2[NH2+]CC1(N)CCCCCC1 ZINC000423200733 372025468 /nfs/dbraw/zinc/02/54/68/372025468.db2.gz MZDHJFCZHDMRKU-MRXNPFEDSA-N 1 3 288.435 3.324 20 0 CGADHO c1ccc(C[C@@H]([NH2+][C@@H]2CCNC2)C2CCCCC2)cc1 ZINC000423205347 372027940 /nfs/dbraw/zinc/02/79/40/372027940.db2.gz PFTACDFFIRICRA-QZTJIDSGSA-N 1 3 272.436 3.130 20 0 CGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423219490 372038236 /nfs/dbraw/zinc/03/82/36/372038236.db2.gz TZCRZPBEFPTMBV-NOLJZWGESA-N 1 3 264.388 3.255 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CC[NH2+]C[C@@H]2C)C2CCC2)cc1 ZINC000423406795 372061570 /nfs/dbraw/zinc/06/15/70/372061570.db2.gz VANBMPRIIPPVGK-JCGIZDLHSA-N 1 3 272.436 3.424 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@H]2CCNC[C@@H]2C)C2CCC2)cc1 ZINC000423406795 372061576 /nfs/dbraw/zinc/06/15/76/372061576.db2.gz VANBMPRIIPPVGK-JCGIZDLHSA-N 1 3 272.436 3.424 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423303736 372050331 /nfs/dbraw/zinc/05/03/31/372050331.db2.gz XILZXNRVLJTJFP-QPUJVOFHSA-N 1 3 273.207 3.165 20 0 CGADHO CSC1(C[NH2+]Cc2cccc(CN(C)C)c2)CCC1 ZINC000290797149 372053809 /nfs/dbraw/zinc/05/38/09/372053809.db2.gz DTXDZIZDGNBBBP-UHFFFAOYSA-N 1 3 278.465 3.124 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)CCN1 ZINC000423374074 372056886 /nfs/dbraw/zinc/05/68/86/372056886.db2.gz HPMAVKFODFCCLE-XHBSWPGZSA-N 1 3 278.827 3.448 20 0 CGADHO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423386630 372057738 /nfs/dbraw/zinc/05/77/38/372057738.db2.gz MCEYPEHQHSBFSV-SUMWQHHRSA-N 1 3 258.409 3.348 20 0 CGADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN ZINC000423177975 372007439 /nfs/dbraw/zinc/00/74/39/372007439.db2.gz BJZXRVKBOBSRTN-CYBMUJFWSA-N 1 3 273.424 3.163 20 0 CGADHO NCCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423179049 372009177 /nfs/dbraw/zinc/00/91/77/372009177.db2.gz CTTHRKOBQHIGLD-TZMCWYRMSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+]C1(CN[C@@H](Cc2ccccc2)C2CC2)CCCCC1 ZINC000423186221 372013002 /nfs/dbraw/zinc/01/30/02/372013002.db2.gz WTXFOQYHMSBVTA-KRWDZBQOSA-N 1 3 272.436 3.259 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158748030 372083707 /nfs/dbraw/zinc/08/37/07/372083707.db2.gz VPZVTGCOAOBLQQ-CGTJXYLNSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158748030 372083712 /nfs/dbraw/zinc/08/37/12/372083712.db2.gz VPZVTGCOAOBLQQ-CGTJXYLNSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158748030 372083718 /nfs/dbraw/zinc/08/37/18/372083718.db2.gz VPZVTGCOAOBLQQ-CGTJXYLNSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158748030 372083724 /nfs/dbraw/zinc/08/37/24/372083724.db2.gz VPZVTGCOAOBLQQ-CGTJXYLNSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000425919957 372144997 /nfs/dbraw/zinc/14/49/97/372144997.db2.gz GWADZCUUIFKTCS-HZPDHXFCSA-N 1 3 262.441 3.103 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425935753 372145144 /nfs/dbraw/zinc/14/51/44/372145144.db2.gz JPCMDJKKNHJAMW-SJLPKXTDSA-N 1 3 276.468 3.431 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000426286119 372154036 /nfs/dbraw/zinc/15/40/36/372154036.db2.gz LDZANKNZGSVQGG-NVXWUHKLSA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000426286119 372154042 /nfs/dbraw/zinc/15/40/42/372154042.db2.gz LDZANKNZGSVQGG-NVXWUHKLSA-N 1 3 296.499 3.292 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000159296805 372129216 /nfs/dbraw/zinc/12/92/16/372129216.db2.gz YULNLAFJWYYBDB-LBPRGKRZSA-N 1 3 278.465 3.372 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252219 217119555 /nfs/dbraw/zinc/11/95/55/217119555.db2.gz BASQPKBRPDNUGO-DNVCBOLYSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252219 217119557 /nfs/dbraw/zinc/11/95/57/217119557.db2.gz BASQPKBRPDNUGO-DNVCBOLYSA-N 1 3 295.430 3.178 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCC1 ZINC000429514830 372373691 /nfs/dbraw/zinc/37/36/91/372373691.db2.gz MOJUHFPKBILPSP-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CN(CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430939111 372408768 /nfs/dbraw/zinc/40/87/68/372408768.db2.gz FEJKRIODHGYDEK-CRAIPNDOSA-N 1 3 298.430 3.278 20 0 CGADHO CC[N@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1cccc(O)c1 ZINC000161967170 372364107 /nfs/dbraw/zinc/36/41/07/372364107.db2.gz UYTBBSRFNVVALI-HOCLYGCPSA-N 1 3 276.424 3.259 20 0 CGADHO CC[N@@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1cccc(O)c1 ZINC000161967170 372364113 /nfs/dbraw/zinc/36/41/13/372364113.db2.gz UYTBBSRFNVVALI-HOCLYGCPSA-N 1 3 276.424 3.259 20 0 CGADHO Cc1sccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000293650934 372436036 /nfs/dbraw/zinc/43/60/36/372436036.db2.gz SLBLOUNHGNHWKL-OKILXGFUSA-N 1 3 296.480 3.036 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000163247297 372455671 /nfs/dbraw/zinc/45/56/71/372455671.db2.gz LREBMKPSJJHVJK-DZGCQCFKSA-N 1 3 276.424 3.225 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000164682058 372527771 /nfs/dbraw/zinc/52/77/71/372527771.db2.gz KDIZDFQHUPERKI-BLLLJJGKSA-N 1 3 272.392 3.171 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000164682058 372527775 /nfs/dbraw/zinc/52/77/75/372527775.db2.gz KDIZDFQHUPERKI-BLLLJJGKSA-N 1 3 272.392 3.171 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515663 372576711 /nfs/dbraw/zinc/57/67/11/372576711.db2.gz MIMADFPLIBCCIL-CXAGYDPISA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515663 372576721 /nfs/dbraw/zinc/57/67/21/372576721.db2.gz MIMADFPLIBCCIL-CXAGYDPISA-N 1 3 276.399 3.351 20 0 CGADHO c1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000294118268 372586761 /nfs/dbraw/zinc/58/67/61/372586761.db2.gz KLZBDCJOIBKKLF-QYZOEREBSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000294118268 372586765 /nfs/dbraw/zinc/58/67/65/372586765.db2.gz KLZBDCJOIBKKLF-QYZOEREBSA-N 1 3 284.447 3.397 20 0 CGADHO Cc1ccc([C@]2(C)CCN(CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000434747968 372705827 /nfs/dbraw/zinc/70/58/27/372705827.db2.gz NUINQESVNFBSSQ-RTBURBONSA-N 1 3 286.463 3.443 20 0 CGADHO Cc1ccc([C@]2(C)CCN(CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747968 372705828 /nfs/dbraw/zinc/70/58/28/372705828.db2.gz NUINQESVNFBSSQ-RTBURBONSA-N 1 3 286.463 3.443 20 0 CGADHO CC[C@@H](C[N@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000435446033 372764893 /nfs/dbraw/zinc/76/48/93/372764893.db2.gz IWKMYUDYMKLYBO-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@@H](C[N@@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000435446033 372764903 /nfs/dbraw/zinc/76/49/03/372764903.db2.gz IWKMYUDYMKLYBO-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446033 372764915 /nfs/dbraw/zinc/76/49/15/372764915.db2.gz IWKMYUDYMKLYBO-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO CCN(Cc1ccc(OC(C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435387018 372755994 /nfs/dbraw/zinc/75/59/94/372755994.db2.gz WHFAXJMTRALCIN-KRWDZBQOSA-N 1 3 290.451 3.438 20 0 CGADHO CCC(CC)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435392737 372757747 /nfs/dbraw/zinc/75/77/47/372757747.db2.gz HRCFMCJUIHOTMR-SFHVURJKSA-N 1 3 289.467 3.462 20 0 CGADHO Cc1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC000435586422 372780718 /nfs/dbraw/zinc/78/07/18/372780718.db2.gz AYIPNRGGMUOMEY-KRWDZBQOSA-N 1 3 273.424 3.021 20 0 CGADHO Cc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC000435586422 372780723 /nfs/dbraw/zinc/78/07/23/372780723.db2.gz AYIPNRGGMUOMEY-KRWDZBQOSA-N 1 3 273.424 3.021 20 0 CGADHO CSc1ccccc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000442856177 373105752 /nfs/dbraw/zinc/10/57/52/373105752.db2.gz OCQSGMSSQOLTPE-ZDUSSCGKSA-N 1 3 276.449 3.321 20 0 CGADHO CSc1ccccc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000442856177 373105756 /nfs/dbraw/zinc/10/57/56/373105756.db2.gz OCQSGMSSQOLTPE-ZDUSSCGKSA-N 1 3 276.449 3.321 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2ccccc2OCC2CC2)C1 ZINC000442932986 373131234 /nfs/dbraw/zinc/13/12/34/373131234.db2.gz ZEUXTTUADQGBDB-HNNXBMFYSA-N 1 3 288.435 3.036 20 0 CGADHO COc1ccc(CCN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000299589951 373576717 /nfs/dbraw/zinc/57/67/17/373576717.db2.gz OYIXJKIJOPZCBI-UHFFFAOYSA-N 1 3 290.451 3.042 20 0 CGADHO C(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300408898 373627317 /nfs/dbraw/zinc/62/73/17/373627317.db2.gz QPDUVYDPWUCDEY-HOTGVXAUSA-N 1 3 250.430 3.173 20 0 CGADHO C(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300408898 373627319 /nfs/dbraw/zinc/62/73/19/373627319.db2.gz QPDUVYDPWUCDEY-HOTGVXAUSA-N 1 3 250.430 3.173 20 0 CGADHO C(C[NH2+][C@H]1CCN2CCC[C@H]2C1)CC1CCCC1 ZINC000300408898 373627323 /nfs/dbraw/zinc/62/73/23/373627323.db2.gz QPDUVYDPWUCDEY-HOTGVXAUSA-N 1 3 250.430 3.173 20 0 CGADHO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000177603066 373693351 /nfs/dbraw/zinc/69/33/51/373693351.db2.gz AIOVGIMULXIXBF-KBMXLJTQSA-N 1 3 276.424 3.219 20 0 CGADHO Cc1nc2ccccc2c(N2CCC([NH+](C)C)CC2)c1C ZINC000302054631 373817320 /nfs/dbraw/zinc/81/73/20/373817320.db2.gz AEDAFVLNKSJUEM-UHFFFAOYSA-N 1 3 283.419 3.382 20 0 CGADHO c1ccc2c(c1)CCC([NH2+][C@H]1CCN3CCC[C@H]3C1)CC2 ZINC000449593438 373834389 /nfs/dbraw/zinc/83/43/89/373834389.db2.gz PETWNJZVDPUOCT-OALUTQOASA-N 1 3 284.447 3.150 20 0 CGADHO CC[C@@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181122023 374082719 /nfs/dbraw/zinc/08/27/19/374082719.db2.gz RQSNDNGVOCDJAJ-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)C1=CCCC1 ZINC000308768438 374180578 /nfs/dbraw/zinc/18/05/78/374180578.db2.gz YGLLEXVGRINZRK-DZGCQCFKSA-N 1 3 250.430 3.230 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)C1=CCCC1 ZINC000308768442 374179699 /nfs/dbraw/zinc/17/96/99/374179699.db2.gz YGLLEXVGRINZRK-HIFRSBDPSA-N 1 3 250.430 3.230 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)O[C@H]1C ZINC000451138744 374194012 /nfs/dbraw/zinc/19/40/12/374194012.db2.gz BXAFZXPHFBPDFT-QUSNUVHPSA-N 1 3 282.472 3.043 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000451138744 374194019 /nfs/dbraw/zinc/19/40/19/374194019.db2.gz BXAFZXPHFBPDFT-QUSNUVHPSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)CN(C)C ZINC000312528116 374281361 /nfs/dbraw/zinc/28/13/61/374281361.db2.gz PKOLMYCSRLKDCV-NEPJUHHUSA-N 1 3 286.366 3.136 20 0 CGADHO CC/C=C/CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453329093 374423928 /nfs/dbraw/zinc/42/39/28/374423928.db2.gz UHZOOONAEICZFQ-LFAOLKIESA-N 1 3 276.424 3.244 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721258 374723148 /nfs/dbraw/zinc/72/31/48/374723148.db2.gz ZUNBCQPKLRFWCX-LSDHHAIUSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721258 374723151 /nfs/dbraw/zinc/72/31/51/374723151.db2.gz ZUNBCQPKLRFWCX-LSDHHAIUSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185721258 374723156 /nfs/dbraw/zinc/72/31/56/374723156.db2.gz ZUNBCQPKLRFWCX-LSDHHAIUSA-N 1 3 250.430 3.195 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000186405695 374846299 /nfs/dbraw/zinc/84/62/99/374846299.db2.gz QPDWDIGUJSGOLN-KDOFPFPSSA-N 1 3 285.435 3.007 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000186405695 374846305 /nfs/dbraw/zinc/84/63/05/374846305.db2.gz QPDWDIGUJSGOLN-KDOFPFPSSA-N 1 3 285.435 3.007 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@]2(CCSC2)C1 ZINC000334627026 374919663 /nfs/dbraw/zinc/91/96/63/374919663.db2.gz OGOYEDPTGKRHEW-JKSUJKDBSA-N 1 3 282.497 3.080 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@]2(CCSC2)C1 ZINC000334627026 374919669 /nfs/dbraw/zinc/91/96/69/374919669.db2.gz OGOYEDPTGKRHEW-JKSUJKDBSA-N 1 3 282.497 3.080 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccccc1C1CC1 ZINC000094528246 541987818 /nfs/dbraw/zinc/98/78/18/541987818.db2.gz CAAYQZMYAJOLRN-INIZCTEOSA-N 1 3 258.409 3.267 20 0 CGADHO NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528246 541987820 /nfs/dbraw/zinc/98/78/20/541987820.db2.gz CAAYQZMYAJOLRN-INIZCTEOSA-N 1 3 258.409 3.267 20 0 CGADHO NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528246 541987824 /nfs/dbraw/zinc/98/78/24/541987824.db2.gz CAAYQZMYAJOLRN-INIZCTEOSA-N 1 3 258.409 3.267 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189076079 375320969 /nfs/dbraw/zinc/32/09/69/375320969.db2.gz QLXOBGQPKLVFGM-KRWDZBQOSA-N 1 3 296.499 3.295 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052580 375473669 /nfs/dbraw/zinc/47/36/69/375473669.db2.gz IDSFYSZCIFVSOC-WBVHZDCISA-N 1 3 292.492 3.334 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052580 375473672 /nfs/dbraw/zinc/47/36/72/375473672.db2.gz IDSFYSZCIFVSOC-WBVHZDCISA-N 1 3 292.492 3.334 20 0 CGADHO FC(F)(F)[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123992672 542030604 /nfs/dbraw/zinc/03/06/04/542030604.db2.gz FLTDIMPBWBBFLV-CQSZACIVSA-N 1 3 298.352 3.107 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389339 375784850 /nfs/dbraw/zinc/78/48/50/375784850.db2.gz MLPNKVCVGVTUGV-KBXCAEBGSA-N 1 3 290.426 3.477 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389339 375784857 /nfs/dbraw/zinc/78/48/57/375784857.db2.gz MLPNKVCVGVTUGV-KBXCAEBGSA-N 1 3 290.426 3.477 20 0 CGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Sc1ccccc1 ZINC000192909927 375801453 /nfs/dbraw/zinc/80/14/53/375801453.db2.gz JPSWLTOYLAZHPN-HNSVSWJLSA-N 1 3 290.476 3.382 20 0 CGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Sc1ccccc1 ZINC000192909927 375801458 /nfs/dbraw/zinc/80/14/58/375801458.db2.gz JPSWLTOYLAZHPN-HNSVSWJLSA-N 1 3 290.476 3.382 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261407 375964822 /nfs/dbraw/zinc/96/48/22/375964822.db2.gz GNPOMMUPXUUKAD-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261407 375964829 /nfs/dbraw/zinc/96/48/29/375964829.db2.gz GNPOMMUPXUUKAD-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ccc(F)cc1F ZINC000336791199 375942021 /nfs/dbraw/zinc/94/20/21/375942021.db2.gz MUFBNXJFOUPWTP-WDEREUQCSA-N 1 3 256.340 3.133 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccoc1 ZINC000195139466 376082334 /nfs/dbraw/zinc/08/23/34/376082334.db2.gz WPUNREOGJZGVLW-RDJZCZTQSA-N 1 3 284.403 3.452 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000195136530 376082984 /nfs/dbraw/zinc/08/29/84/376082984.db2.gz NZFHEIXVHNJLOF-RDJZCZTQSA-N 1 3 284.403 3.452 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536858665 376136790 /nfs/dbraw/zinc/13/67/90/376136790.db2.gz RFUZFOIFFXTOJA-VQHPVUNQSA-N 1 3 282.472 3.044 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C2(CC)CC)C1 ZINC000537296787 376160782 /nfs/dbraw/zinc/16/07/82/376160782.db2.gz ZZIQGQNJPLUODU-BRWVUGGUSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H](C)C1CCCCC1 ZINC000537306164 376163137 /nfs/dbraw/zinc/16/31/37/376163137.db2.gz CKFBNGRZLOMHHM-HUUCEWRRSA-N 1 3 264.457 3.443 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696064 376123526 /nfs/dbraw/zinc/12/35/26/376123526.db2.gz QKUYCLSWGIVDRR-YSIASYRMSA-N 1 3 298.474 3.454 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696064 376123529 /nfs/dbraw/zinc/12/35/29/376123529.db2.gz QKUYCLSWGIVDRR-YSIASYRMSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696064 376123535 /nfs/dbraw/zinc/12/35/35/376123535.db2.gz QKUYCLSWGIVDRR-YSIASYRMSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696064 376123540 /nfs/dbraw/zinc/12/35/40/376123540.db2.gz QKUYCLSWGIVDRR-YSIASYRMSA-N 1 3 298.474 3.454 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000221919111 376223991 /nfs/dbraw/zinc/22/39/91/376223991.db2.gz XSPSBASYZBBISA-CQSZACIVSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@H](C)Cc1ccc(F)cc1 ZINC000221919111 376223994 /nfs/dbraw/zinc/22/39/94/376223994.db2.gz XSPSBASYZBBISA-CQSZACIVSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@H](C)Cc1ccc(F)cc1 ZINC000221919111 376224001 /nfs/dbraw/zinc/22/40/01/376224001.db2.gz XSPSBASYZBBISA-CQSZACIVSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337510204 376225811 /nfs/dbraw/zinc/22/58/11/376225811.db2.gz INWFFZHPWGRVSJ-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)ccn1 ZINC000338001989 376254011 /nfs/dbraw/zinc/25/40/11/376254011.db2.gz RGCWEWOCKYBFET-MOPGFXCFSA-N 1 3 299.462 3.466 20 0 CGADHO C[C@@H](CC[N@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000226450525 376361546 /nfs/dbraw/zinc/36/15/46/376361546.db2.gz KFKBICDWYAVUGA-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO C[C@@H](CC[N@@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000226450525 376361548 /nfs/dbraw/zinc/36/15/48/376361548.db2.gz KFKBICDWYAVUGA-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO C[C@@H](CCN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000226450525 376361550 /nfs/dbraw/zinc/36/15/50/376361550.db2.gz KFKBICDWYAVUGA-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO CCCC(CCC)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000540173471 376363098 /nfs/dbraw/zinc/36/30/98/376363098.db2.gz GCWNUIAWCJHBFL-HOTGVXAUSA-N 1 3 284.488 3.434 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)C1(C)C ZINC000540607967 376385286 /nfs/dbraw/zinc/38/52/86/376385286.db2.gz PQZZFVXUCZZASM-GVDBMIGSSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1(C)C ZINC000540607967 376385294 /nfs/dbraw/zinc/38/52/94/376385294.db2.gz PQZZFVXUCZZASM-GVDBMIGSSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1(C)C ZINC000540607967 376385299 /nfs/dbraw/zinc/38/52/99/376385299.db2.gz PQZZFVXUCZZASM-GVDBMIGSSA-N 1 3 296.499 3.148 20 0 CGADHO Cc1ccc(OCCCN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000227189226 376385396 /nfs/dbraw/zinc/38/53/96/376385396.db2.gz CZOSFHLQAFEZMZ-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000540605696 376385707 /nfs/dbraw/zinc/38/57/07/376385707.db2.gz JBVKPBVODWKJTM-IRXDYDNUSA-N 1 3 264.457 3.443 20 0 CGADHO Cc1ccc(OCCCN2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000227189232 376385825 /nfs/dbraw/zinc/38/58/25/376385825.db2.gz CZOSFHLQAFEZMZ-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000540605697 376386430 /nfs/dbraw/zinc/38/64/30/376386430.db2.gz JBVKPBVODWKJTM-SJORKVTESA-N 1 3 264.457 3.443 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)C/C=C\c2ccc(F)cc2F)C1 ZINC000541773175 376480793 /nfs/dbraw/zinc/48/07/93/376480793.db2.gz QJTNKDOIAZSCQR-SDQPKGBYSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)C/C=C\c2ccc(F)cc2F)C1 ZINC000541773175 376480802 /nfs/dbraw/zinc/48/08/02/376480802.db2.gz QJTNKDOIAZSCQR-SDQPKGBYSA-N 1 3 294.389 3.252 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@H](CN3CCCC3)C1)C2 ZINC000541987397 376499810 /nfs/dbraw/zinc/49/98/10/376499810.db2.gz ZJMSZKSLLGBBKB-ZWKOTPCHSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@H](CN3CCCC3)C1)C2 ZINC000541987397 376499813 /nfs/dbraw/zinc/49/98/13/376499813.db2.gz ZJMSZKSLLGBBKB-ZWKOTPCHSA-N 1 3 298.474 3.209 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000542149108 376511948 /nfs/dbraw/zinc/51/19/48/376511948.db2.gz XOKNWROGUHIUQT-JYJNAYRXSA-N 1 3 284.513 3.372 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000542507954 376551341 /nfs/dbraw/zinc/55/13/41/376551341.db2.gz UVPIOBOIZVPLEI-OFLPRAFFSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000542507954 376551344 /nfs/dbraw/zinc/55/13/44/376551344.db2.gz UVPIOBOIZVPLEI-OFLPRAFFSA-N 1 3 266.473 3.476 20 0 CGADHO CCCC[C@H]([NH2+]CC[C@H]1CCCN1C)C1CCC1 ZINC000544415816 376734079 /nfs/dbraw/zinc/73/40/79/376734079.db2.gz UOWUIVPOQJLZTC-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](C)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000245856596 376921022 /nfs/dbraw/zinc/92/10/22/376921022.db2.gz NRBXZJOOYZBHCH-UXLLHSPISA-N 1 3 264.457 3.371 20 0 CGADHO CCC[C@H](C)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000245856596 376921030 /nfs/dbraw/zinc/92/10/30/376921030.db2.gz NRBXZJOOYZBHCH-UXLLHSPISA-N 1 3 264.457 3.371 20 0 CGADHO CCC[C@H](C)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245856600 376921139 /nfs/dbraw/zinc/92/11/39/376921139.db2.gz NRBXZJOOYZBHCH-YQQAZPJKSA-N 1 3 264.457 3.371 20 0 CGADHO CCC[C@H](C)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245856600 376921145 /nfs/dbraw/zinc/92/11/45/376921145.db2.gz NRBXZJOOYZBHCH-YQQAZPJKSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@H](c1cccs1)[N@H+](C)CC[C@H]1CCCN1C ZINC000246677419 377070863 /nfs/dbraw/zinc/07/08/63/377070863.db2.gz FXYIBUKMTAJNAC-CHWSQXEVSA-N 1 3 252.427 3.225 20 0 CGADHO C[C@H](c1cccs1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000246677419 377070871 /nfs/dbraw/zinc/07/08/71/377070871.db2.gz FXYIBUKMTAJNAC-CHWSQXEVSA-N 1 3 252.427 3.225 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccncc1F ZINC000340464679 377075204 /nfs/dbraw/zinc/07/52/04/377075204.db2.gz RXHZSLPYHWYTEJ-UONOGXRCSA-N 1 3 281.419 3.382 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccccc2C)C1 ZINC000246817487 377096246 /nfs/dbraw/zinc/09/62/46/377096246.db2.gz BAEDUZSEQOJLHP-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccccc2C)C1 ZINC000246817487 377096252 /nfs/dbraw/zinc/09/62/52/377096252.db2.gz BAEDUZSEQOJLHP-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC000246817487 377096262 /nfs/dbraw/zinc/09/62/62/377096262.db2.gz BAEDUZSEQOJLHP-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCc3ccc(C)cc32)C1 ZINC000246864457 377107138 /nfs/dbraw/zinc/10/71/38/377107138.db2.gz DDRYOILSKOKUPK-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCc3ccc(C)cc32)C1 ZINC000246864457 377107146 /nfs/dbraw/zinc/10/71/46/377107146.db2.gz DDRYOILSKOKUPK-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000246864457 377107153 /nfs/dbraw/zinc/10/71/53/377107153.db2.gz DDRYOILSKOKUPK-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247024975 377141510 /nfs/dbraw/zinc/14/15/10/377141510.db2.gz UYUFBDSYDWGQJD-OLZOCXBDSA-N 1 3 289.448 3.289 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)s1 ZINC000560515040 377161051 /nfs/dbraw/zinc/16/10/51/377161051.db2.gz WOCVDAVKBCLRNA-ARFHVFGLSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000560515040 377161054 /nfs/dbraw/zinc/16/10/54/377161054.db2.gz WOCVDAVKBCLRNA-ARFHVFGLSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000560515040 377161058 /nfs/dbraw/zinc/16/10/58/377161058.db2.gz WOCVDAVKBCLRNA-ARFHVFGLSA-N 1 3 278.465 3.273 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000247119589 377162085 /nfs/dbraw/zinc/16/20/85/377162085.db2.gz PPJLZHNGBOLENX-IKGGRYGDSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2C)[C@H](C)C1 ZINC000247119589 377162093 /nfs/dbraw/zinc/16/20/93/377162093.db2.gz PPJLZHNGBOLENX-IKGGRYGDSA-N 1 3 290.451 3.082 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161593052 542160038 /nfs/dbraw/zinc/16/00/38/542160038.db2.gz KWODFYLHHKAMDQ-CWLKWCNXSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161593052 542160040 /nfs/dbraw/zinc/16/00/40/542160040.db2.gz KWODFYLHHKAMDQ-CWLKWCNXSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000161593052 542160042 /nfs/dbraw/zinc/16/00/42/542160042.db2.gz KWODFYLHHKAMDQ-CWLKWCNXSA-N 1 3 272.436 3.395 20 0 CGADHO CCSc1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000563231716 377424737 /nfs/dbraw/zinc/42/47/37/377424737.db2.gz NEPMZDLPVBFXJI-UHFFFAOYSA-N 1 3 278.465 3.359 20 0 CGADHO CC(C)Cc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000094896160 249043354 /nfs/dbraw/zinc/04/33/54/249043354.db2.gz IJJHTABHENFJQK-GOSISDBHSA-N 1 3 286.463 3.459 20 0 CGADHO CC(C)Cc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000094896160 249043357 /nfs/dbraw/zinc/04/33/57/249043357.db2.gz IJJHTABHENFJQK-GOSISDBHSA-N 1 3 286.463 3.459 20 0 CGADHO CC(C)Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000094896160 249043360 /nfs/dbraw/zinc/04/33/60/249043360.db2.gz IJJHTABHENFJQK-GOSISDBHSA-N 1 3 286.463 3.459 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000094896156 249043679 /nfs/dbraw/zinc/04/36/79/249043679.db2.gz HRCWZKSMZAXXPG-SFHVURJKSA-N 1 3 274.452 3.317 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000249999565 377547080 /nfs/dbraw/zinc/54/70/80/377547080.db2.gz BOHNGWVUBWUKEE-BBWFWOEESA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000249999565 377547083 /nfs/dbraw/zinc/54/70/83/377547083.db2.gz BOHNGWVUBWUKEE-BBWFWOEESA-N 1 3 290.838 3.024 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@@H]3CCCC[C@H]3CN)c[nH]c21 ZINC000422907754 249127122 /nfs/dbraw/zinc/12/71/22/249127122.db2.gz CKRMNNPRIDHCAQ-MAUKXSAKSA-N 1 3 299.462 3.380 20 0 CGADHO c1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250654045 377564814 /nfs/dbraw/zinc/56/48/14/377564814.db2.gz SQSXJNYEGXHVNA-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)cc1 ZINC000250654045 377564818 /nfs/dbraw/zinc/56/48/18/377564818.db2.gz SQSXJNYEGXHVNA-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428045531 249130704 /nfs/dbraw/zinc/13/07/04/249130704.db2.gz QIHOLACNYMEFBI-AZUAARDMSA-N 1 3 294.442 3.456 20 0 CGADHO c1ccc(SCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250530976 377561656 /nfs/dbraw/zinc/56/16/56/377561656.db2.gz DWABJVOKDASVIU-GVDBMIGSSA-N 1 3 290.476 3.289 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250521929 377561754 /nfs/dbraw/zinc/56/17/54/377561754.db2.gz CQWVOHZCQYNDEC-SQNIBIBYSA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250521929 377561755 /nfs/dbraw/zinc/56/17/55/377561755.db2.gz CQWVOHZCQYNDEC-SQNIBIBYSA-N 1 3 284.447 3.323 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)C1(C)C ZINC000250567566 377562944 /nfs/dbraw/zinc/56/29/44/377562944.db2.gz VICQQYUMOPJCEA-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000250567566 377562954 /nfs/dbraw/zinc/56/29/54/377562954.db2.gz VICQQYUMOPJCEA-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000250567566 377562967 /nfs/dbraw/zinc/56/29/67/377562967.db2.gz VICQQYUMOPJCEA-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477712 249167772 /nfs/dbraw/zinc/16/77/72/249167772.db2.gz QUDKKKPVUTTXRY-FUHWJXTLSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477712 249167774 /nfs/dbraw/zinc/16/77/74/249167774.db2.gz QUDKKKPVUTTXRY-FUHWJXTLSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477712 249167776 /nfs/dbraw/zinc/16/77/76/249167776.db2.gz QUDKKKPVUTTXRY-FUHWJXTLSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477712 249167780 /nfs/dbraw/zinc/16/77/80/249167780.db2.gz QUDKKKPVUTTXRY-FUHWJXTLSA-N 1 3 286.463 3.454 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCSc3ccccc32)C1 ZINC000250868489 377567367 /nfs/dbraw/zinc/56/73/67/377567367.db2.gz XMVNLNVWOJXCDK-DYEKYZERSA-N 1 3 262.422 3.083 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251343410 377580599 /nfs/dbraw/zinc/58/05/99/377580599.db2.gz MNORVTFBSXAJJO-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccccc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000515846320 249221668 /nfs/dbraw/zinc/22/16/68/249221668.db2.gz RODYAKSSJKBAGG-AWEZNQCLSA-N 1 3 254.377 3.305 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251210599 377576317 /nfs/dbraw/zinc/57/63/17/377576317.db2.gz ZYEAHIGZMWSMPU-GVDBMIGSSA-N 1 3 258.409 3.005 20 0 CGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CCCCC1 ZINC000251588825 377589085 /nfs/dbraw/zinc/58/90/85/377589085.db2.gz ZDSXIMNNTYIIIP-BRWVUGGUSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135535 542206472 /nfs/dbraw/zinc/20/64/72/542206472.db2.gz UXMYDHJLIKJQOB-ZNMIVQPWSA-N 1 3 292.471 3.127 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135535 542206475 /nfs/dbraw/zinc/20/64/75/542206475.db2.gz UXMYDHJLIKJQOB-ZNMIVQPWSA-N 1 3 292.471 3.127 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000253233032 377680986 /nfs/dbraw/zinc/68/09/86/377680986.db2.gz LPKROYAPNMJXAY-HZPDHXFCSA-N 1 3 298.540 3.476 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000574812435 377712820 /nfs/dbraw/zinc/71/28/20/377712820.db2.gz DIALULPUDPJBOD-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000574812435 377712823 /nfs/dbraw/zinc/71/28/23/377712823.db2.gz DIALULPUDPJBOD-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](CCN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812435 377712828 /nfs/dbraw/zinc/71/28/28/377712828.db2.gz DIALULPUDPJBOD-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO CNC[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261565695 377819015 /nfs/dbraw/zinc/81/90/15/377819015.db2.gz HXXDTFXEIGGGET-OAHLLOKOSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261565695 377819020 /nfs/dbraw/zinc/81/90/20/377819020.db2.gz HXXDTFXEIGGGET-OAHLLOKOSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC2CCC(C)(C)CC2)C1 ZINC000261565695 377819021 /nfs/dbraw/zinc/81/90/21/377819021.db2.gz HXXDTFXEIGGGET-OAHLLOKOSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261573932 377821457 /nfs/dbraw/zinc/82/14/57/377821457.db2.gz WHRGALNKPXTUJS-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261573932 377821465 /nfs/dbraw/zinc/82/14/65/377821465.db2.gz WHRGALNKPXTUJS-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261573932 377821468 /nfs/dbraw/zinc/82/14/68/377821468.db2.gz WHRGALNKPXTUJS-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO Cc1ccsc1C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261697934 377839585 /nfs/dbraw/zinc/83/95/85/377839585.db2.gz LIMPLHQIKSBUTG-CVEARBPZSA-N 1 3 286.444 3.231 20 0 CGADHO Cc1ccsc1C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261697934 377839594 /nfs/dbraw/zinc/83/95/94/377839594.db2.gz LIMPLHQIKSBUTG-CVEARBPZSA-N 1 3 286.444 3.231 20 0 CGADHO COc1ccc2cc(CN3CCC[C@@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000261823945 377856517 /nfs/dbraw/zinc/85/65/17/377856517.db2.gz AXPAQSARJLIAIV-RDTXWAMCSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)[N@H+](CCN)C1CC1 ZINC000262910419 377911201 /nfs/dbraw/zinc/91/12/01/377911201.db2.gz FRHRWQKQXQSLLM-CYBMUJFWSA-N 1 3 254.377 3.324 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)[N@@H+](CCN)C1CC1 ZINC000262910419 377911204 /nfs/dbraw/zinc/91/12/04/377911204.db2.gz FRHRWQKQXQSLLM-CYBMUJFWSA-N 1 3 254.377 3.324 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000579785991 378195011 /nfs/dbraw/zinc/19/50/11/378195011.db2.gz KSHUCUYVTQLGJN-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)[C@H]1CCCNC1 ZINC000579945176 378210199 /nfs/dbraw/zinc/21/01/99/378210199.db2.gz WFAQHRHEZQBMEQ-KFWWJZLASA-N 1 3 254.462 3.427 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000269035101 378178385 /nfs/dbraw/zinc/17/83/85/378178385.db2.gz SKEKEDXPMLQLLV-RISCZKNCSA-N 1 3 282.428 3.292 20 0 CGADHO c1ccc2c(c1)CC(CN1CCC[C@H]([NH+]3CCCC3)CC1)C2 ZINC000582055506 378281552 /nfs/dbraw/zinc/28/15/52/378281552.db2.gz PLODKEJYMGTQFD-FQEVSTJZSA-N 1 3 298.474 3.352 20 0 CGADHO c1ccc2c(c1)CC(C[N@@H+]1CCC[C@H](N3CCCC3)CC1)C2 ZINC000582055506 378281553 /nfs/dbraw/zinc/28/15/53/378281553.db2.gz PLODKEJYMGTQFD-FQEVSTJZSA-N 1 3 298.474 3.352 20 0 CGADHO c1ccc2c(c1)CC(C[N@H+]1CCC[C@H](N3CCCC3)CC1)C2 ZINC000582055506 378281557 /nfs/dbraw/zinc/28/15/57/378281557.db2.gz PLODKEJYMGTQFD-FQEVSTJZSA-N 1 3 298.474 3.352 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000583333475 378323870 /nfs/dbraw/zinc/32/38/70/378323870.db2.gz QPMZTXJWVRNGIG-AWEZNQCLSA-N 1 3 290.451 3.466 20 0 CGADHO CCCCOc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000583763680 378345721 /nfs/dbraw/zinc/34/57/21/378345721.db2.gz HUUIFZBMZPCQCF-HOTGVXAUSA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000271919909 378518182 /nfs/dbraw/zinc/51/81/82/378518182.db2.gz ZVWRXXARUASTHV-KDOFPFPSSA-N 1 3 270.420 3.477 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000346576379 378630058 /nfs/dbraw/zinc/63/00/58/378630058.db2.gz PWRYXVRVYNYYJM-XJKSGUPXSA-N 1 3 276.424 3.076 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000346498200 378595971 /nfs/dbraw/zinc/59/59/71/378595971.db2.gz XLJXLZDQVOYHSD-INIZCTEOSA-N 1 3 260.425 3.417 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000346849185 378694501 /nfs/dbraw/zinc/69/45/01/378694501.db2.gz RSVOWTRQOASZDP-HOCLYGCPSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000346849185 378694508 /nfs/dbraw/zinc/69/45/08/378694508.db2.gz RSVOWTRQOASZDP-HOCLYGCPSA-N 1 3 250.430 3.031 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C12CCC2 ZINC000346857345 378694652 /nfs/dbraw/zinc/69/46/52/378694652.db2.gz GAKFQKGBGDKOMZ-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC[C@@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000346857345 378694656 /nfs/dbraw/zinc/69/46/56/378694656.db2.gz GAKFQKGBGDKOMZ-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]1CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000348082729 378781916 /nfs/dbraw/zinc/78/19/16/378781916.db2.gz SYVFJJQDLGXMNF-DOTOQJQBSA-N 1 3 273.424 3.076 20 0 CGADHO C([NH2+]C1CCN(CC2CCCC2)CC1)C1CCSCC1 ZINC000638455034 378810449 /nfs/dbraw/zinc/81/04/49/378810449.db2.gz RAOKJXGWPYGSLR-UHFFFAOYSA-N 1 3 296.524 3.374 20 0 CGADHO CCC[C@@H](CNCc1cccc(C[N@H+](C)CC)c1)OC ZINC000638562936 378835706 /nfs/dbraw/zinc/83/57/06/378835706.db2.gz GLAJLCRZIQPZRC-KRWDZBQOSA-N 1 3 278.440 3.043 20 0 CGADHO CCC[C@@H](CNCc1cccc(C[N@@H+](C)CC)c1)OC ZINC000638562936 378835711 /nfs/dbraw/zinc/83/57/11/378835711.db2.gz GLAJLCRZIQPZRC-KRWDZBQOSA-N 1 3 278.440 3.043 20 0 CGADHO Fc1ccccc1CC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346831285 218028472 /nfs/dbraw/zinc/02/84/72/218028472.db2.gz KLVAPEYQZYULNT-INIZCTEOSA-N 1 3 290.426 3.080 20 0 CGADHO Fc1ccccc1CC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346831285 218028476 /nfs/dbraw/zinc/02/84/76/218028476.db2.gz KLVAPEYQZYULNT-INIZCTEOSA-N 1 3 290.426 3.080 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346848501 218036119 /nfs/dbraw/zinc/03/61/19/218036119.db2.gz DVNYGEJDBYVRJA-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346848501 218036121 /nfs/dbraw/zinc/03/61/21/218036121.db2.gz DVNYGEJDBYVRJA-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348262076 378871635 /nfs/dbraw/zinc/87/16/35/378871635.db2.gz QFEMSHKDIASHJQ-KBAYOESNSA-N 1 3 272.436 3.112 20 0 CGADHO CCCN(Cc1sccc1C)C1CC[NH2+]CC1 ZINC000347048021 218104749 /nfs/dbraw/zinc/10/47/49/218104749.db2.gz PJXXIKCTVVYSSZ-UHFFFAOYSA-N 1 3 252.427 3.021 20 0 CGADHO CCC[N@H+](Cc1sccc1C)C1CCNCC1 ZINC000347048021 218104752 /nfs/dbraw/zinc/10/47/52/218104752.db2.gz PJXXIKCTVVYSSZ-UHFFFAOYSA-N 1 3 252.427 3.021 20 0 CGADHO CCC[N@@H+](Cc1sccc1C)C1CCNCC1 ZINC000347048021 218104753 /nfs/dbraw/zinc/10/47/53/218104753.db2.gz PJXXIKCTVVYSSZ-UHFFFAOYSA-N 1 3 252.427 3.021 20 0 CGADHO CO[C@@H](C)[C@@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000370652701 379046647 /nfs/dbraw/zinc/04/66/47/379046647.db2.gz PGBVWNMGRVKQPA-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000370652701 379046655 /nfs/dbraw/zinc/04/66/55/379046655.db2.gz PGBVWNMGRVKQPA-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC(F)(F)C1 ZINC000277160635 379085232 /nfs/dbraw/zinc/08/52/32/379085232.db2.gz QYFYZPRHQMBUGV-BBRMVZONSA-N 1 3 294.389 3.284 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC(F)(F)C1 ZINC000277160635 379085235 /nfs/dbraw/zinc/08/52/35/379085235.db2.gz QYFYZPRHQMBUGV-BBRMVZONSA-N 1 3 294.389 3.284 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246316403 804277824 /nfs/dbraw/zinc/27/78/24/804277824.db2.gz ZIOPRQOLPWVCPQ-CMPLNLGQSA-N 1 3 272.845 3.148 20 0 CGADHO CC(C)[C@@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000372065064 379188366 /nfs/dbraw/zinc/18/83/66/379188366.db2.gz ATLMTPOLXXLPTN-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000372065064 379188372 /nfs/dbraw/zinc/18/83/72/379188372.db2.gz ATLMTPOLXXLPTN-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[NH+]1CCC(C)CC1 ZINC000278415354 379379362 /nfs/dbraw/zinc/37/93/62/379379362.db2.gz PXNOIHYTJSHQCC-UHFFFAOYSA-N 1 3 293.430 3.131 20 0 CGADHO CCc1ccc(CN2CCC(C[NH+](CC)CC)CC2)o1 ZINC000350149045 379520211 /nfs/dbraw/zinc/52/02/11/379520211.db2.gz SYCQINAKIRTPIZ-UHFFFAOYSA-N 1 3 278.440 3.396 20 0 CGADHO COc1cccc(C2([NH2+]CCCN3CCCCC3)CC2)c1 ZINC000352244936 379756704 /nfs/dbraw/zinc/75/67/04/379756704.db2.gz AJPJKQSUTKNHPI-UHFFFAOYSA-N 1 3 288.435 3.150 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@]1(C)CCCS1 ZINC000392864072 379913324 /nfs/dbraw/zinc/91/33/24/379913324.db2.gz GAZFPAQHUJZESF-CABCVRRESA-N 1 3 270.486 3.126 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000352893127 380022133 /nfs/dbraw/zinc/02/21/33/380022133.db2.gz MPEIRXWGSOZPNS-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000352893127 380022138 /nfs/dbraw/zinc/02/21/38/380022138.db2.gz MPEIRXWGSOZPNS-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CC(C)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000409445175 380031896 /nfs/dbraw/zinc/03/18/96/380031896.db2.gz HTAOVYYIVQVVTP-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000409445175 380031900 /nfs/dbraw/zinc/03/19/00/380031900.db2.gz HTAOVYYIVQVVTP-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000409445175 380031904 /nfs/dbraw/zinc/03/19/04/380031904.db2.gz HTAOVYYIVQVVTP-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000409445175 380031907 /nfs/dbraw/zinc/03/19/07/380031907.db2.gz HTAOVYYIVQVVTP-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO COCC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CCCC1 ZINC000423157437 284821764 /nfs/dbraw/zinc/82/17/64/284821764.db2.gz BAVLZFJOFCLPDG-JKSUJKDBSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1ccc(CCC[NH2+]CCCN2CCC(C)CC2)cn1 ZINC000353929631 380241127 /nfs/dbraw/zinc/24/11/27/380241127.db2.gz DYUUNHSTEHCLTK-UHFFFAOYSA-N 1 3 289.467 3.034 20 0 CGADHO Cc1ccc(CCCNCCC[NH+]2CCC(C)CC2)cn1 ZINC000353929631 380241133 /nfs/dbraw/zinc/24/11/33/380241133.db2.gz DYUUNHSTEHCLTK-UHFFFAOYSA-N 1 3 289.467 3.034 20 0 CGADHO Cc1ccc(C[C@H](NC[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502015 380324573 /nfs/dbraw/zinc/32/45/73/380324573.db2.gz VWUHKHNYQLBPBM-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1ccccc1C[C@@H](NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643502416 380327073 /nfs/dbraw/zinc/32/70/73/380327073.db2.gz FQUWQQGYDIVECP-ZWKOTPCHSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000643465390 380313692 /nfs/dbraw/zinc/31/36/92/380313692.db2.gz CWBCGWCDNUXJPI-URLQWDBASA-N 1 3 295.430 3.131 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548841 380364950 /nfs/dbraw/zinc/36/49/50/380364950.db2.gz VZVQBMZAWKIJDZ-PBHICJAKSA-N 1 3 285.435 3.198 20 0 CGADHO C[C@H]1C[C@@H](CNC2(c3ccc(F)cc3F)CCC2)CC[NH2+]1 ZINC000414710698 380383434 /nfs/dbraw/zinc/38/34/34/380383434.db2.gz QGWSVBSPWCITPT-STQMWFEESA-N 1 3 294.389 3.322 20 0 CGADHO Clc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643522324 380339232 /nfs/dbraw/zinc/33/92/32/380339232.db2.gz LOQQXHUHXPPWRI-WBMJQRKESA-N 1 3 278.827 3.449 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000643525889 380341301 /nfs/dbraw/zinc/34/13/01/380341301.db2.gz GTDFRWBTPKTLIM-ZIAGYGMSSA-N 1 3 270.376 3.477 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000643528350 380344431 /nfs/dbraw/zinc/34/44/31/380344431.db2.gz HJSPFGIJXXXQKE-VXGBXAGGSA-N 1 3 260.406 3.413 20 0 CGADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643529018 380346615 /nfs/dbraw/zinc/34/66/15/380346615.db2.gz SSOJQYPEIIKDKX-KGLIPLIRSA-N 1 3 284.403 3.360 20 0 CGADHO CNC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414664329 380359079 /nfs/dbraw/zinc/35/90/79/380359079.db2.gz CDYISNJMAIAQMQ-CGTJXYLNSA-N 1 3 272.436 3.038 20 0 CGADHO CNC[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414664329 380359084 /nfs/dbraw/zinc/35/90/84/380359084.db2.gz CDYISNJMAIAQMQ-CGTJXYLNSA-N 1 3 272.436 3.038 20 0 CGADHO [NH3+]CCCN(Cc1ccc2ccccc2c1)C1CC1 ZINC000414668528 380360007 /nfs/dbraw/zinc/36/00/07/380360007.db2.gz ADQYGAMPVAZQCK-UHFFFAOYSA-N 1 3 254.377 3.153 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000414668183 380360268 /nfs/dbraw/zinc/36/02/68/380360268.db2.gz ZNVCOKZBMLPIHD-YESZJQIVSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1C(C)(C)C1(C)C ZINC000643547356 380361868 /nfs/dbraw/zinc/36/18/68/380361868.db2.gz DIMAXMCZJKBULJ-CHWSQXEVSA-N 1 3 264.457 3.321 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1(CC)CC ZINC000643548431 380362712 /nfs/dbraw/zinc/36/27/12/380362712.db2.gz PIWNSPMRZXTQDV-ARFHVFGLSA-N 1 3 294.483 3.235 20 0 CGADHO CCO[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1(CC)CC ZINC000643548431 380362719 /nfs/dbraw/zinc/36/27/19/380362719.db2.gz PIWNSPMRZXTQDV-ARFHVFGLSA-N 1 3 294.483 3.235 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc(Cl)cs1 ZINC000414812948 380424132 /nfs/dbraw/zinc/42/41/32/380424132.db2.gz XRYDZRHKTOVWAF-BXKDBHETSA-N 1 3 258.818 3.009 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C[C@H]1c1ccccc1 ZINC000414812605 380424166 /nfs/dbraw/zinc/42/41/66/380424166.db2.gz XNPSIBSLFFAVSN-PFPDTZPXSA-N 1 3 272.436 3.286 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000414857173 380457160 /nfs/dbraw/zinc/45/71/60/380457160.db2.gz PBBBFCVJKHZSCC-CVEARBPZSA-N 1 3 274.452 3.332 20 0 CGADHO CC(C)C[C@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000414822504 380431755 /nfs/dbraw/zinc/43/17/55/380431755.db2.gz AIZFZEZBTWXWCL-FUHWJXTLSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414822555 380432734 /nfs/dbraw/zinc/43/27/34/380432734.db2.gz AMGZYEIKWITOMS-UMVBOHGHSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414825394 380434240 /nfs/dbraw/zinc/43/42/40/380434240.db2.gz SNXSZAZIKIIINQ-FMKPAKJESA-N 1 3 278.415 3.125 20 0 CGADHO CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000414828239 380438514 /nfs/dbraw/zinc/43/85/14/380438514.db2.gz LXQLOQMWIWVIIU-IPJUCJBFSA-N 1 3 286.463 3.476 20 0 CGADHO C[C@@H](CNCC1([NH3+])CCCCC1)Cc1ccccc1 ZINC000414833314 380441520 /nfs/dbraw/zinc/44/15/20/380441520.db2.gz ACRSRCZUWICJLU-OAHLLOKOSA-N 1 3 260.425 3.116 20 0 CGADHO Fc1ccc(CNCC[C@@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC000414837690 380445391 /nfs/dbraw/zinc/44/53/91/380445391.db2.gz UXMWFIFMEHLOBO-VIFPVBQESA-N 1 3 291.197 3.222 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)NCC1([NH3+])CCCCC1 ZINC000414842821 380447562 /nfs/dbraw/zinc/44/75/62/380447562.db2.gz MZILLNNVKMCHBU-GJZGRUSLSA-N 1 3 260.425 3.430 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414844468 380449416 /nfs/dbraw/zinc/44/94/16/380449416.db2.gz RLCWXCPEXNUMKD-DUVNUKRYSA-N 1 3 280.843 3.421 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414844468 380449420 /nfs/dbraw/zinc/44/94/20/380449420.db2.gz RLCWXCPEXNUMKD-DUVNUKRYSA-N 1 3 280.843 3.421 20 0 CGADHO Clc1ccc(CNCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414846824 380451461 /nfs/dbraw/zinc/45/14/61/380451461.db2.gz IEZUKKIBYUOXSC-LLVKDONJSA-N 1 3 287.234 3.473 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1CCNCC1 ZINC000414778408 380400252 /nfs/dbraw/zinc/40/02/52/380400252.db2.gz IBPMZKVTDCSORP-JTQLQIEISA-N 1 3 272.845 3.064 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NC1CC[NH2+]CC1 ZINC000414778408 380400257 /nfs/dbraw/zinc/40/02/57/380400257.db2.gz IBPMZKVTDCSORP-JTQLQIEISA-N 1 3 272.845 3.064 20 0 CGADHO CC(C)C[C@@H](C[NH2+]C1CCNCC1)c1ccccc1 ZINC000414785559 380403209 /nfs/dbraw/zinc/40/32/09/380403209.db2.gz VQGSTADBAWODKG-INIZCTEOSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)C[C@@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000414785559 380403215 /nfs/dbraw/zinc/40/32/15/380403215.db2.gz VQGSTADBAWODKG-INIZCTEOSA-N 1 3 260.425 3.158 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cnc(-c2ccccc2)s1 ZINC000414789632 380407318 /nfs/dbraw/zinc/40/73/18/380407318.db2.gz FOZLSPPSFRRFDK-HIFRSBDPSA-N 1 3 287.432 3.027 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1coc2ccccc12 ZINC000414794451 380408658 /nfs/dbraw/zinc/40/86/58/380408658.db2.gz FQVUCHKDKFPWEW-DOMZBBRYSA-N 1 3 258.365 3.040 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414805279 380418025 /nfs/dbraw/zinc/41/80/25/380418025.db2.gz PMJOTNPROJQRHM-WMZOPIPTSA-N 1 3 290.451 3.343 20 0 CGADHO CCCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414811374 380422224 /nfs/dbraw/zinc/42/22/24/380422224.db2.gz WAZAZAHKUIPDNA-RDJZCZTQSA-N 1 3 276.424 3.083 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414811067 380422522 /nfs/dbraw/zinc/42/25/22/380422522.db2.gz WAIRPLLCTMUNMB-WOPDTQHZSA-N 1 3 266.351 3.215 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000414914579 380487500 /nfs/dbraw/zinc/48/75/00/380487500.db2.gz KTAUYPSEHOIBMU-WBVHZDCISA-N 1 3 274.452 3.475 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(-c3ccccn3)c2)C1 ZINC000414927268 380492294 /nfs/dbraw/zinc/49/22/94/380492294.db2.gz ONUOILBDJNNKTP-SJORKVTESA-N 1 3 281.403 3.108 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC000414943297 380499521 /nfs/dbraw/zinc/49/95/21/380499521.db2.gz FGQDUIHYSYUWDG-ZMSDIMECSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1cccc(CC[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414943297 380499525 /nfs/dbraw/zinc/49/95/25/380499525.db2.gz FGQDUIHYSYUWDG-ZMSDIMECSA-N 1 3 260.425 3.046 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414944578 380500025 /nfs/dbraw/zinc/50/00/25/380500025.db2.gz HBBXNAUGQVWHQN-IIAWOOMASA-N 1 3 252.446 3.466 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+]C[C@H]2CCCNC2)cc1 ZINC000415085175 380506981 /nfs/dbraw/zinc/50/69/81/380506981.db2.gz QJTOLOZLKMROPN-INIZCTEOSA-N 1 3 274.452 3.116 20 0 CGADHO CCc1ccc(C(C)(C)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000415085175 380506986 /nfs/dbraw/zinc/50/69/86/380506986.db2.gz QJTOLOZLKMROPN-INIZCTEOSA-N 1 3 274.452 3.116 20 0 CGADHO [NH3+]C1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CCCCCC1 ZINC000414858465 380459680 /nfs/dbraw/zinc/45/96/80/380459680.db2.gz JMZITPABYYJXPP-MRXNPFEDSA-N 1 3 292.854 3.449 20 0 CGADHO NC1(C[NH2+]Cc2ccc(-c3ccccc3)s2)CCC1 ZINC000414876343 380469762 /nfs/dbraw/zinc/46/97/62/380469762.db2.gz DFDBKACEXOCNPN-UHFFFAOYSA-N 1 3 272.417 3.386 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000414894530 380478001 /nfs/dbraw/zinc/47/80/01/380478001.db2.gz SZKYVIPGVKCMAX-CJNGLKHVSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H](CC[NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000414901368 380482149 /nfs/dbraw/zinc/48/21/49/380482149.db2.gz FWFIAKNBZCPINL-WBVHZDCISA-N 1 3 260.425 3.160 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(OCCN(C)C)cc1 ZINC000417344298 380599803 /nfs/dbraw/zinc/59/98/03/380599803.db2.gz VUKDPXCJGXZHAK-HOCLYGCPSA-N 1 3 288.435 3.078 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)CN(C)C ZINC000417353115 380604234 /nfs/dbraw/zinc/60/42/34/380604234.db2.gz WOELTDLUHLUPKZ-ZOBORPQBSA-N 1 3 266.454 3.027 20 0 CGADHO C[C@@H](NCC1=CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000645854119 380753468 /nfs/dbraw/zinc/75/34/68/380753468.db2.gz VKTYLXRARXIWEA-ZBFHGGJFSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H](NCC1=CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854119 380753470 /nfs/dbraw/zinc/75/34/70/380753470.db2.gz VKTYLXRARXIWEA-ZBFHGGJFSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H]([NH2+]CC1=CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000645854119 380753473 /nfs/dbraw/zinc/75/34/73/380753473.db2.gz VKTYLXRARXIWEA-ZBFHGGJFSA-N 1 3 262.441 3.339 20 0 CGADHO c1cnc2ccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000334866677 207212992 /nfs/dbraw/zinc/21/29/92/207212992.db2.gz BPPXPJYHAMKKEL-IEBWSBKVSA-N 1 3 295.430 3.199 20 0 CGADHO CN(Cc1cc(F)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000362507329 382024573 /nfs/dbraw/zinc/02/45/73/382024573.db2.gz VQRPVCLUZKWUEX-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000234347966 542309032 /nfs/dbraw/zinc/30/90/32/542309032.db2.gz GXZRJJQUKQASPV-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc2cnccc21)CN1CCCCC1 ZINC000237554451 542319348 /nfs/dbraw/zinc/31/93/48/542319348.db2.gz KJPPCVWZJNQPRX-MRXNPFEDSA-N 1 3 297.446 3.446 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000432423799 296329815 /nfs/dbraw/zinc/32/98/15/296329815.db2.gz LCYCJHBHILTCQA-LMSBXDPUSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@@H]1CN(CCCOc2cc(C)ccc2C)CC[C@H]1[NH3+] ZINC000251633783 542347124 /nfs/dbraw/zinc/34/71/24/542347124.db2.gz FPAQSIBMEJTSQJ-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO COc1c(C)cc(CN2CCC(C[NH+](C)C)CC2)cc1C ZINC000350176369 218997656 /nfs/dbraw/zinc/99/76/56/218997656.db2.gz MEKJPVZSUUEREU-UHFFFAOYSA-N 1 3 290.451 3.086 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(Cl)c3cccnc23)C1 ZINC000334847330 542461922 /nfs/dbraw/zinc/46/19/22/542461922.db2.gz SNIZREPFWWDGSY-QWHCGFSZSA-N 1 3 289.810 3.248 20 0 CGADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000423474463 533387687 /nfs/dbraw/zinc/38/76/87/533387687.db2.gz HJQYPSRTRIHMNT-DGCLKSJQSA-N 1 3 268.351 3.148 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+]C[C@H](N)C3CC3)ccc2c1 ZINC000423339189 533338068 /nfs/dbraw/zinc/33/80/68/533338068.db2.gz ZIJPTTKDUHYAGJ-SGTLLEGYSA-N 1 3 284.403 3.236 20 0 CGADHO C(=C/c1ccccc1)\C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459415395 533352986 /nfs/dbraw/zinc/35/29/86/533352986.db2.gz RYQZYOSIQTZKOQ-QPJJXVBHSA-N 1 3 293.414 3.353 20 0 CGADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423320559 533354559 /nfs/dbraw/zinc/35/45/59/533354559.db2.gz FOHUNTVEIMAXTA-LLVKDONJSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1cccc(F)c1F ZINC000423322354 533355288 /nfs/dbraw/zinc/35/52/88/533355288.db2.gz GYUULEBGGYIMIH-LLVKDONJSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000423324554 533378377 /nfs/dbraw/zinc/37/83/77/533378377.db2.gz KMOKHRIOIBZPPR-CQSZACIVSA-N 1 3 285.391 3.263 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCNC1CC1 ZINC000423565707 533655761 /nfs/dbraw/zinc/65/57/61/533655761.db2.gz SXRVHDXRRXBCOM-LBPRGKRZSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)NCCC[NH2+]C1CC1 ZINC000423565707 533655767 /nfs/dbraw/zinc/65/57/67/533655767.db2.gz SXRVHDXRRXBCOM-LBPRGKRZSA-N 1 3 282.378 3.018 20 0 CGADHO Cn1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000390755575 542611321 /nfs/dbraw/zinc/61/13/21/542611321.db2.gz VRDZUVGHUZIOCJ-SFHVURJKSA-N 1 3 297.446 3.027 20 0 CGADHO Cn1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390755575 542611323 /nfs/dbraw/zinc/61/13/23/542611323.db2.gz VRDZUVGHUZIOCJ-SFHVURJKSA-N 1 3 297.446 3.027 20 0 CGADHO CC1(c2cccc(Cl)c2)CCN(CCC[NH3+])CC1 ZINC000414759581 542638631 /nfs/dbraw/zinc/63/86/31/542638631.db2.gz FFPLTKBUWOEHSH-UHFFFAOYSA-N 1 3 266.816 3.042 20 0 CGADHO C[C@@H]([NH3+])CCNCc1cccc(-c2ccccc2)c1 ZINC000414828153 542639833 /nfs/dbraw/zinc/63/98/33/542639833.db2.gz ZCHGQIUKFBXEOW-CQSZACIVSA-N 1 3 254.377 3.181 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000070092151 392177167 /nfs/dbraw/zinc/17/71/67/392177167.db2.gz JUYDKTDJOVJNOV-GXTWGEPZSA-N 1 3 266.454 3.439 20 0 CGADHO Clc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000130048401 392453155 /nfs/dbraw/zinc/45/31/55/392453155.db2.gz DJSYLCCXOMGRJQ-YVEFUNNKSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1ccc2c(c1)CC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000130048401 392453160 /nfs/dbraw/zinc/45/31/60/392453160.db2.gz DJSYLCCXOMGRJQ-YVEFUNNKSA-N 1 3 290.838 3.401 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000369222817 392497569 /nfs/dbraw/zinc/49/75/69/392497569.db2.gz BVYPGKFKZDZPBI-DLBZAZTESA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000301158740 392585747 /nfs/dbraw/zinc/58/57/47/392585747.db2.gz QYIVUVCJFJXEHN-HNNXBMFYSA-N 1 3 281.403 3.218 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H](N2CCC(C)([NH3+])CC2)C1 ZINC000647530846 392751989 /nfs/dbraw/zinc/75/19/89/392751989.db2.gz KTJXSPAZNIYISP-DLBZAZTESA-N 1 3 272.436 3.310 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000647530846 392751996 /nfs/dbraw/zinc/75/19/96/392751996.db2.gz KTJXSPAZNIYISP-DLBZAZTESA-N 1 3 272.436 3.310 20 0 CGADHO Fc1cccc(F)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542927 392759865 /nfs/dbraw/zinc/75/98/65/392759865.db2.gz DTFGWZDHOSLBAX-UONOGXRCSA-N 1 3 294.389 3.176 20 0 CGADHO Fc1cc(F)cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543782 392760176 /nfs/dbraw/zinc/76/01/76/392760176.db2.gz RYUNEGRGAHEIQR-GJZGRUSLSA-N 1 3 294.389 3.176 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543584 392760754 /nfs/dbraw/zinc/76/07/54/392760754.db2.gz PUSYNEVHUOEVMQ-ZIAGYGMSSA-N 1 3 294.389 3.176 20 0 CGADHO CC[C@@H]1CN(CCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937052 392837628 /nfs/dbraw/zinc/83/76/28/392837628.db2.gz QDESKBPWIVNOLR-GDBMZVCRSA-N 1 3 280.843 3.332 20 0 CGADHO Fc1ccc(/C=C\C[NH2+]CCCN2CCCCC2)cc1F ZINC000510246920 392790604 /nfs/dbraw/zinc/79/06/04/392790604.db2.gz YQZQRAHWUQTEAQ-XQRVVYSFSA-N 1 3 294.389 3.444 20 0 CGADHO c1coc([C@H](CNc2[nH+]ccc3[nH]ccc32)N2CCCC2)c1 ZINC000647846714 392813354 /nfs/dbraw/zinc/81/33/54/392813354.db2.gz PBMQFKGKQIWEGL-HNNXBMFYSA-N 1 3 296.374 3.405 20 0 CGADHO Cc1cccc([C@@H]2CCCCN2C[C@@H]2CC[NH2+]C2)c1C ZINC000647889446 392826593 /nfs/dbraw/zinc/82/65/93/392826593.db2.gz RMWAHJULTONOHA-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000647888119 392826739 /nfs/dbraw/zinc/82/67/39/392826739.db2.gz NJJKHEAWADOOBQ-IKGGRYGDSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc(CCN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647904136 392829102 /nfs/dbraw/zinc/82/91/02/392829102.db2.gz XKYJDTZFFDLKBA-ZWKOTPCHSA-N 1 3 272.436 3.002 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337510201 392888317 /nfs/dbraw/zinc/88/83/17/392888317.db2.gz INWFFZHPWGRVSJ-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CC2CCC1CC2 ZINC000381831576 392914852 /nfs/dbraw/zinc/91/48/52/392914852.db2.gz GGQALNKVQNGNMZ-RKUYKLOISA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCCC12CCOCC2)N1CCCCC1 ZINC000376739224 392880694 /nfs/dbraw/zinc/88/06/94/392880694.db2.gz IDYKXFSHVRTGLN-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000521292572 542739065 /nfs/dbraw/zinc/73/90/65/542739065.db2.gz PWOMIDQQEVXNCG-YALNPMBYSA-N 1 3 264.457 3.133 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648433227 393013804 /nfs/dbraw/zinc/01/38/04/393013804.db2.gz MTLRCDFJRMJAMJ-QFBILLFUSA-N 1 3 286.463 3.256 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000248393244 393086717 /nfs/dbraw/zinc/08/67/17/393086717.db2.gz DRXFTILOEKGRHW-DZKIICNBSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000248394286 393086808 /nfs/dbraw/zinc/08/68/08/393086808.db2.gz FNSYEBUIJBWHRT-YDHLFZDLSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)c1nc(CNC[C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000415002034 393087442 /nfs/dbraw/zinc/08/74/42/393087442.db2.gz VNKUDFQKTXTRBM-VXGBXAGGSA-N 1 3 281.469 3.048 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000346524497 393089365 /nfs/dbraw/zinc/08/93/65/393089365.db2.gz GHNVIENTBPQOQJ-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO COc1cccc(CN[C@@H](C)CCCC[NH3+])c1OC(C)C ZINC000415014236 393096279 /nfs/dbraw/zinc/09/62/79/393096279.db2.gz LTMYOPKPBUEYOP-AWEZNQCLSA-N 1 3 294.439 3.090 20 0 CGADHO CCOc1c(Cl)cccc1CN[C@H](C)CCCC[NH3+] ZINC000415020376 393100116 /nfs/dbraw/zinc/10/01/16/393100116.db2.gz XJVOVCYPLIHGCD-GFCCVEGCSA-N 1 3 284.831 3.346 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1cc(Cl)ccc1OC(F)F ZINC000415024253 393101787 /nfs/dbraw/zinc/10/17/87/393101787.db2.gz OPCPVCJQMVTNIL-VIFPVBQESA-N 1 3 292.757 3.158 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1cccc(Cl)c1Cl ZINC000415027056 393103114 /nfs/dbraw/zinc/10/31/14/393103114.db2.gz VUMXMOWMEABLDR-VIFPVBQESA-N 1 3 261.196 3.210 20 0 CGADHO CC[C@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)CCO1 ZINC000648470633 393042050 /nfs/dbraw/zinc/04/20/50/393042050.db2.gz MQKXVLDUQLOQOG-HOTGVXAUSA-N 1 3 270.461 3.043 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414654695 393050466 /nfs/dbraw/zinc/05/04/66/393050466.db2.gz CJYCYZHDCMPBLY-XYVMCAHJSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414654695 393050468 /nfs/dbraw/zinc/05/04/68/393050468.db2.gz CJYCYZHDCMPBLY-XYVMCAHJSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H](C)C[NH3+] ZINC000414935689 393058055 /nfs/dbraw/zinc/05/80/55/393058055.db2.gz BFORNCKTSLUGLU-JOYOIKCWSA-N 1 3 275.223 3.251 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000414952809 393060722 /nfs/dbraw/zinc/06/07/22/393060722.db2.gz QZZJXAUXDJNNSF-DJIMGWMZSA-N 1 3 260.425 3.300 20 0 CGADHO CCC[C@H](CN[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414952809 393060731 /nfs/dbraw/zinc/06/07/31/393060731.db2.gz QZZJXAUXDJNNSF-DJIMGWMZSA-N 1 3 260.425 3.300 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2CCN[C@H](C)C2)c2ccccc12 ZINC000414959337 393067433 /nfs/dbraw/zinc/06/74/33/393067433.db2.gz XJEUIKWYQFFHLH-UKRRQHHQSA-N 1 3 284.403 3.079 20 0 CGADHO C[NH2+][C@@H](C)CNCC1CCC(c2ccccc2)CC1 ZINC000414963342 393068759 /nfs/dbraw/zinc/06/87/59/393068759.db2.gz AQQVJFXUJFKQAC-UQPPLGOBSA-N 1 3 260.425 3.158 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2c(F)cccc2Cl)C1 ZINC000414984347 393078333 /nfs/dbraw/zinc/07/83/33/393078333.db2.gz AFZOHCHUKWVMCN-GHMZBOCLSA-N 1 3 270.779 3.086 20 0 CGADHO c1cc2c(cc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CCCN2 ZINC000414982841 393079112 /nfs/dbraw/zinc/07/91/12/393079112.db2.gz STFYZYSNJSWKFY-QXAKKESOSA-N 1 3 299.462 3.055 20 0 CGADHO CCS[C@@H]1CCCCN(CCC[NH+](CC)CC)C1 ZINC000351269699 393173554 /nfs/dbraw/zinc/17/35/54/393173554.db2.gz MRIKDQWZKXXFFY-OAHLLOKOSA-N 1 3 272.502 3.326 20 0 CGADHO CCS[C@@H]1CCCC[N@H+](CCCN(CC)CC)C1 ZINC000351269699 393173558 /nfs/dbraw/zinc/17/35/58/393173558.db2.gz MRIKDQWZKXXFFY-OAHLLOKOSA-N 1 3 272.502 3.326 20 0 CGADHO CCS[C@@H]1CCCC[N@@H+](CCCN(CC)CC)C1 ZINC000351269699 393173561 /nfs/dbraw/zinc/17/35/61/393173561.db2.gz MRIKDQWZKXXFFY-OAHLLOKOSA-N 1 3 272.502 3.326 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000415048694 393112684 /nfs/dbraw/zinc/11/26/84/393112684.db2.gz XEVDSXZCUUPGIF-SKDRFNHKSA-N 1 3 273.207 3.210 20 0 CGADHO [NH3+]CCC[C@@H](NCc1ccsc1)c1ccccc1 ZINC000415050678 393112710 /nfs/dbraw/zinc/11/27/10/393112710.db2.gz JAZLIDNEERUEQR-OAHLLOKOSA-N 1 3 260.406 3.318 20 0 CGADHO COc1ccccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415056314 393118109 /nfs/dbraw/zinc/11/81/09/393118109.db2.gz PXBJDLYOLKSSRO-KRWDZBQOSA-N 1 3 284.403 3.265 20 0 CGADHO C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)C[C@@]1(C)C[NH3+] ZINC000415059168 393119095 /nfs/dbraw/zinc/11/90/95/393119095.db2.gz XFKZSUOXEHSYBW-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@@]1(C)CN ZINC000415059168 393119101 /nfs/dbraw/zinc/11/91/01/393119101.db2.gz XFKZSUOXEHSYBW-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@@]1(C)CN ZINC000415059168 393119108 /nfs/dbraw/zinc/11/91/08/393119108.db2.gz XFKZSUOXEHSYBW-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO c1ccc(C[C@H]2CC[C@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000415068986 393125700 /nfs/dbraw/zinc/12/57/00/393125700.db2.gz OBXOXYFHWTYMOU-AEFFLSMTSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000415080465 393134507 /nfs/dbraw/zinc/13/45/07/393134507.db2.gz LPXSBHCIDFZHBJ-UPJWGTAASA-N 1 3 295.496 3.479 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1ccc(F)cc1Cl ZINC000415083044 393136406 /nfs/dbraw/zinc/13/64/06/393136406.db2.gz DYBAGBLIHBTCTO-BXUZGUMPSA-N 1 3 284.806 3.142 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@H]2N[C@@H]2CCC[NH2+]C2)cc1 ZINC000415083347 393136950 /nfs/dbraw/zinc/13/69/50/393136950.db2.gz PUDYRELFTZSBQY-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000415103215 393144905 /nfs/dbraw/zinc/14/49/05/393144905.db2.gz CULRSVAJNQFTBO-MAUKXSAKSA-N 1 3 295.430 3.165 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000354653169 393246525 /nfs/dbraw/zinc/24/65/25/393246525.db2.gz DVKMWWMGIBLCPR-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO C[NH+]1CCC(C)(CNCc2sccc2Cl)CC1 ZINC000278792546 393325051 /nfs/dbraw/zinc/32/50/51/393325051.db2.gz QSCITSZOVCXSCV-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1 ZINC000648809235 393259827 /nfs/dbraw/zinc/25/98/27/393259827.db2.gz AKJWJKQJRCMGSU-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000475159441 393380276 /nfs/dbraw/zinc/38/02/76/393380276.db2.gz YDUWFZHPLTVWRK-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000479413225 393432453 /nfs/dbraw/zinc/43/24/53/393432453.db2.gz AGNINWNWOIQQQP-VVLHAWIVSA-N 1 3 264.457 3.441 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000479413224 393432593 /nfs/dbraw/zinc/43/25/93/393432593.db2.gz AGNINWNWOIQQQP-MWDXBVQZSA-N 1 3 264.457 3.441 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000488296560 393481915 /nfs/dbraw/zinc/48/19/15/393481915.db2.gz JTNWNXQYMKPDAC-WCXIOVBPSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000488296560 393481921 /nfs/dbraw/zinc/48/19/21/393481921.db2.gz JTNWNXQYMKPDAC-WCXIOVBPSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000488296560 393481926 /nfs/dbraw/zinc/48/19/26/393481926.db2.gz JTNWNXQYMKPDAC-WCXIOVBPSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000488296560 393481929 /nfs/dbraw/zinc/48/19/29/393481929.db2.gz JTNWNXQYMKPDAC-WCXIOVBPSA-N 1 3 264.457 3.229 20 0 CGADHO Cc1ccccc1CCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399745 393482464 /nfs/dbraw/zinc/48/24/64/393482464.db2.gz OGJNJTRRFHLACN-RTBURBONSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1ccccc1CCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399743 393482614 /nfs/dbraw/zinc/48/26/14/393482614.db2.gz OGJNJTRRFHLACN-RBUKOAKNSA-N 1 3 286.463 3.392 20 0 CGADHO CN(CC[C@H]1CC[NH2+]C1)Cc1cccc(Cl)c1Cl ZINC000420301640 393456120 /nfs/dbraw/zinc/45/61/20/393456120.db2.gz IRAMZCYFMPPMGA-LLVKDONJSA-N 1 3 287.234 3.425 20 0 CGADHO COc1ccc(Cl)cc1CN(C)CC[C@H]1CCC[NH2+]C1 ZINC000420301706 393456336 /nfs/dbraw/zinc/45/63/36/393456336.db2.gz IURUDNITRNMIAY-CYBMUJFWSA-N 1 3 296.842 3.170 20 0 CGADHO CC[N@H+](CCCc1ccsc1)[C@@H]1CCCNCC1 ZINC000420305196 393457158 /nfs/dbraw/zinc/45/71/58/393457158.db2.gz GEVQUAKSTQEPLB-OAHLLOKOSA-N 1 3 266.454 3.145 20 0 CGADHO CC[N@@H+](CCCc1ccsc1)[C@@H]1CCCNCC1 ZINC000420305196 393457159 /nfs/dbraw/zinc/45/71/59/393457159.db2.gz GEVQUAKSTQEPLB-OAHLLOKOSA-N 1 3 266.454 3.145 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000420353934 393473498 /nfs/dbraw/zinc/47/34/98/393473498.db2.gz CKYQJLOBGSATTF-GOSISDBHSA-N 1 3 298.430 3.196 20 0 CGADHO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365782 393476955 /nfs/dbraw/zinc/47/69/55/393476955.db2.gz LPFSHMXFIFEVCZ-UHIISALHSA-N 1 3 268.351 3.100 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000475573163 393408921 /nfs/dbraw/zinc/40/89/21/393408921.db2.gz RTISWESDEPOVNL-UGXKVIGPSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420414709 393486136 /nfs/dbraw/zinc/48/61/36/393486136.db2.gz USYHBBKYYXEGIT-WDEREUQCSA-N 1 3 270.779 3.129 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420415784 393486279 /nfs/dbraw/zinc/48/62/79/393486279.db2.gz VHADVCANKOCFJH-GXTWGEPZSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+]CCCN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420415784 393486287 /nfs/dbraw/zinc/48/62/87/393486287.db2.gz VHADVCANKOCFJH-GXTWGEPZSA-N 1 3 286.341 3.280 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488429744 393509863 /nfs/dbraw/zinc/50/98/63/393509863.db2.gz DCWHYOZZOATCFB-XQLPTFJDSA-N 1 3 284.513 3.369 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488429733 393509917 /nfs/dbraw/zinc/50/99/17/393509917.db2.gz DCWHYOZZOATCFB-BYNSBNAKSA-N 1 3 284.513 3.369 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663144 393532349 /nfs/dbraw/zinc/53/23/49/393532349.db2.gz ZEMVDFAKXPMUBO-ROUUACIJSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663144 393532351 /nfs/dbraw/zinc/53/23/51/393532351.db2.gz ZEMVDFAKXPMUBO-ROUUACIJSA-N 1 3 290.426 3.273 20 0 CGADHO CC(C)C[C@H](N)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000666652178 542806352 /nfs/dbraw/zinc/80/63/52/542806352.db2.gz GOQAMWWFHXWFDF-HNNXBMFYSA-N 1 3 264.388 3.168 20 0 CGADHO CCC[C@H](C[NH2+][C@H]1CCCNCC1)c1ccccc1 ZINC000666856407 542820768 /nfs/dbraw/zinc/82/07/68/542820768.db2.gz GXLZPQDAWUKQHM-SJORKVTESA-N 1 3 260.425 3.302 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@H](C)c1cc2c(s1)CCC2 ZINC000360858439 393600352 /nfs/dbraw/zinc/60/03/52/393600352.db2.gz LPKAJJDLDHCNIK-VXGBXAGGSA-N 1 3 266.454 3.228 20 0 CGADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420822 393612885 /nfs/dbraw/zinc/61/28/85/393612885.db2.gz DEAJYNPMUQCLAT-LSDHHAIUSA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccs1 ZINC000432420822 393612886 /nfs/dbraw/zinc/61/28/86/393612886.db2.gz DEAJYNPMUQCLAT-LSDHHAIUSA-N 1 3 296.480 3.290 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000422719742 393640570 /nfs/dbraw/zinc/64/05/70/393640570.db2.gz ZEOMBZPAYZQHBM-HOTGVXAUSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422799410 393642217 /nfs/dbraw/zinc/64/22/17/393642217.db2.gz WPGQOHSOLXXULD-UYJHQMFVSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@H]1CCCN1 ZINC000422799410 393642222 /nfs/dbraw/zinc/64/22/22/393642222.db2.gz WPGQOHSOLXXULD-UYJHQMFVSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)C1C[NH2+]C1 ZINC000422860736 393644590 /nfs/dbraw/zinc/64/45/90/393644590.db2.gz MUFBRQOFQHDNQA-NXEZZACHSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C1CNC1 ZINC000422860736 393644595 /nfs/dbraw/zinc/64/45/95/393644595.db2.gz MUFBRQOFQHDNQA-NXEZZACHSA-N 1 3 287.234 3.122 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422983226 393647536 /nfs/dbraw/zinc/64/75/36/393647536.db2.gz YZOCITKKFIQPRK-HOTGVXAUSA-N 1 3 276.424 3.052 20 0 CGADHO CCC(CC)[C@@H]1C[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423050610 393649071 /nfs/dbraw/zinc/64/90/71/393649071.db2.gz YYPVAQYIIZWGPX-IWCQGFGOSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423098053 393650708 /nfs/dbraw/zinc/65/07/08/393650708.db2.gz JVDNRTJRZSKNQJ-VNCIIQTRSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NC1CC(C)(c2ccccc2)C1 ZINC000423098053 393650713 /nfs/dbraw/zinc/65/07/13/393650713.db2.gz JVDNRTJRZSKNQJ-VNCIIQTRSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H](N)CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423226130 393655197 /nfs/dbraw/zinc/65/51/97/393655197.db2.gz PNAYUFFXGDPMKG-QYNFOATHSA-N 1 3 266.351 3.071 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423205781 393655266 /nfs/dbraw/zinc/65/52/66/393655266.db2.gz BKWOKMAYEHXNAT-AVGNSLFASA-N 1 3 252.427 3.095 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423205781 393655271 /nfs/dbraw/zinc/65/52/71/393655271.db2.gz BKWOKMAYEHXNAT-AVGNSLFASA-N 1 3 252.427 3.095 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN1)C1CCC(C(F)(F)F)CC1 ZINC000423240883 393656150 /nfs/dbraw/zinc/65/61/50/393656150.db2.gz UGCIJVFMUZRKQB-YWPUVAFDSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423340531 393662453 /nfs/dbraw/zinc/66/24/53/393662453.db2.gz XIUORQNQJIOECI-JKSUJKDBSA-N 1 3 258.409 3.342 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423454503 393667466 /nfs/dbraw/zinc/66/74/66/393667466.db2.gz ZGIXTWGGVOELHS-BHDSKKPTSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000423453044 393667611 /nfs/dbraw/zinc/66/76/11/393667611.db2.gz XCEBAVFOUPRZEJ-TZQJONAQSA-N 1 3 266.816 3.301 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423481991 393670439 /nfs/dbraw/zinc/67/04/39/393670439.db2.gz XCAVIOLVYDFILJ-FZMZJTMJSA-N 1 3 288.357 3.353 20 0 CGADHO CCc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000443890683 393776571 /nfs/dbraw/zinc/77/65/71/393776571.db2.gz XDOIWCKWTZHIQH-HIFRSBDPSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000443890683 393776575 /nfs/dbraw/zinc/77/65/75/393776575.db2.gz XDOIWCKWTZHIQH-HIFRSBDPSA-N 1 3 283.419 3.114 20 0 CGADHO Cc1ccc(CCCN(C)CCC[NH+]2CCCC2)cc1 ZINC000499928988 393812268 /nfs/dbraw/zinc/81/22/68/393812268.db2.gz OAPZHKFWQSTYQD-UHFFFAOYSA-N 1 3 274.452 3.345 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000445986701 393839232 /nfs/dbraw/zinc/83/92/32/393839232.db2.gz XBYWZHSMHLOIAJ-KZNAEPCWSA-N 1 3 272.436 3.397 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@@H](C)C2 ZINC000449560459 393904153 /nfs/dbraw/zinc/90/41/53/393904153.db2.gz LLGKWWVZCIFVSV-AQUVMHGZSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@@H](C)C2 ZINC000449560459 393904156 /nfs/dbraw/zinc/90/41/56/393904156.db2.gz LLGKWWVZCIFVSV-AQUVMHGZSA-N 1 3 284.447 3.443 20 0 CGADHO CCCC[N@H+](C)CC1CCN(CCOCC(C)C)CC1 ZINC000501089172 393846394 /nfs/dbraw/zinc/84/63/94/393846394.db2.gz MNXWHOCPJGVXQF-UHFFFAOYSA-N 1 3 284.488 3.103 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(CCOCC(C)C)CC1 ZINC000501089172 393846397 /nfs/dbraw/zinc/84/63/97/393846397.db2.gz MNXWHOCPJGVXQF-UHFFFAOYSA-N 1 3 284.488 3.103 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995092 542832681 /nfs/dbraw/zinc/83/26/81/542832681.db2.gz DGFGNUCDMBFGOB-NWDGAFQWSA-N 1 3 278.362 3.372 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666996705 542833909 /nfs/dbraw/zinc/83/39/09/542833909.db2.gz AKNJYHDHSBIDKD-OWCLPIDISA-N 1 3 264.457 3.467 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497098 394006176 /nfs/dbraw/zinc/00/61/76/394006176.db2.gz CBRRCXODUBGSIM-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497098 394006178 /nfs/dbraw/zinc/00/61/78/394006178.db2.gz CBRRCXODUBGSIM-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497098 394006181 /nfs/dbraw/zinc/00/61/81/394006181.db2.gz CBRRCXODUBGSIM-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497098 394006184 /nfs/dbraw/zinc/00/61/84/394006184.db2.gz CBRRCXODUBGSIM-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H](C2CC2)C2CCC2)C[C@H](C)O1 ZINC000453072788 394161165 /nfs/dbraw/zinc/16/11/65/394161165.db2.gz AUUCYNWMGBMTOA-DAYGRLMNSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1coc2ccccc12)CN(C)C ZINC000453227977 394212404 /nfs/dbraw/zinc/21/24/04/394212404.db2.gz DAUNUYISTWZLHV-KGLIPLIRSA-N 1 3 274.408 3.151 20 0 CGADHO COC(C)(C)CCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336844997 292054620 /nfs/dbraw/zinc/05/46/20/292054620.db2.gz LLQWOAKHNVUYAV-IRXDYDNUSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336844997 292054621 /nfs/dbraw/zinc/05/46/21/292054621.db2.gz LLQWOAKHNVUYAV-IRXDYDNUSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000336844997 292054622 /nfs/dbraw/zinc/05/46/22/292054622.db2.gz LLQWOAKHNVUYAV-IRXDYDNUSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000336844997 292054624 /nfs/dbraw/zinc/05/46/24/292054624.db2.gz LLQWOAKHNVUYAV-IRXDYDNUSA-N 1 3 296.499 3.388 20 0 CGADHO Cc1cccc([C@H](C)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000062078683 397638156 /nfs/dbraw/zinc/63/81/56/397638156.db2.gz QGDSYJSQXGVLCK-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000062078683 397638158 /nfs/dbraw/zinc/63/81/58/397638158.db2.gz QGDSYJSQXGVLCK-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCC1 ZINC000429432348 292125686 /nfs/dbraw/zinc/12/56/86/292125686.db2.gz UQMYXADJBPWGFB-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO c1cc2c(c(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704317 397897565 /nfs/dbraw/zinc/89/75/65/397897565.db2.gz SZMJEWAKVITMEX-APWZRJJASA-N 1 3 284.447 3.139 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1c(C)cccc1C ZINC000650719356 397902129 /nfs/dbraw/zinc/90/21/29/397902129.db2.gz NHHFFNUFMXRLBX-UHFFFAOYSA-N 1 3 268.404 3.313 20 0 CGADHO CC[C@H](OCC[NH2+][C@@H](C)[C@@H]1CCCCN1)c1ccccc1 ZINC000650742181 397905169 /nfs/dbraw/zinc/90/51/69/397905169.db2.gz SINOBCWFLJOGTE-SZMVWBNQSA-N 1 3 290.451 3.275 20 0 CGADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccccc1Br ZINC000650743328 397905183 /nfs/dbraw/zinc/90/51/83/397905183.db2.gz QSRNYPXPHQXIRY-LLVKDONJSA-N 1 3 297.240 3.229 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2cc(F)ccc21 ZINC000650758002 397910504 /nfs/dbraw/zinc/91/05/04/397910504.db2.gz GOWMWPICLXEWPW-SFHVURJKSA-N 1 3 284.378 3.322 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccccc1 ZINC000650759746 397911180 /nfs/dbraw/zinc/91/11/80/397911180.db2.gz PDWNUZNSTWHAFS-AWEZNQCLSA-N 1 3 254.377 3.257 20 0 CGADHO C[C@H](NCCC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000650763618 397913021 /nfs/dbraw/zinc/91/30/21/397913021.db2.gz FUUXNOZSDQUIEG-NSHDSACASA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000675778725 543363893 /nfs/dbraw/zinc/36/38/93/543363893.db2.gz KFMQBTDAUHNVLB-HUUCEWRRSA-N 1 3 290.451 3.324 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1ccc(Cl)cc1 ZINC000422785247 286012157 /nfs/dbraw/zinc/01/21/57/286012157.db2.gz NCDMZZOFNRFJKD-ARFHVFGLSA-N 1 3 296.842 3.277 20 0 CGADHO Cn1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000678139356 543487673 /nfs/dbraw/zinc/48/76/73/543487673.db2.gz UWIBVBJWMJKRHK-UHFFFAOYSA-N 1 3 289.467 3.113 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CCCCC1 ZINC000678895086 543569921 /nfs/dbraw/zinc/56/99/21/543569921.db2.gz LMUXVHFXFGUQSK-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000250844213 296623020 /nfs/dbraw/zinc/62/30/20/296623020.db2.gz HLIVCOADMHFFKL-CADBVGFASA-N 1 3 284.447 3.054 20 0 CGADHO CN(CCC[NH2+][C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048912 289253104 /nfs/dbraw/zinc/25/31/04/289253104.db2.gz DYWAZFWSXYFKLF-IRXDYDNUSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@H+](CCCN[C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048912 289253105 /nfs/dbraw/zinc/25/31/05/289253105.db2.gz DYWAZFWSXYFKLF-IRXDYDNUSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](CCCN[C@H]1CC[C@H]1C1CC1)C1CCCCC1 ZINC000554048912 289253106 /nfs/dbraw/zinc/25/31/06/289253106.db2.gz DYWAZFWSXYFKLF-IRXDYDNUSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414949027 297107378 /nfs/dbraw/zinc/10/73/78/297107378.db2.gz ZKHFBNQBZCYDOB-URGYJCLVSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000422709303 292247496 /nfs/dbraw/zinc/24/74/96/292247496.db2.gz KIKXADDCCHBVEV-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)c(C)c1 ZINC000422709303 292247497 /nfs/dbraw/zinc/24/74/97/292247497.db2.gz KIKXADDCCHBVEV-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@H](C)C[NH3+] ZINC000423308932 292298237 /nfs/dbraw/zinc/29/82/37/292298237.db2.gz PHYWFEUBGTZPEA-MLGOLLRUSA-N 1 3 271.408 3.038 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000253311877 296736694 /nfs/dbraw/zinc/73/66/94/296736694.db2.gz VLOJSBDTCJCBKJ-LYYZXLFJSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000245604858 287022468 /nfs/dbraw/zinc/02/24/68/287022468.db2.gz LYCCBXFHIPHDIQ-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000245604858 287022469 /nfs/dbraw/zinc/02/24/69/287022469.db2.gz LYCCBXFHIPHDIQ-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)c1sccc1C ZINC000070089733 165054484 /nfs/dbraw/zinc/05/44/84/165054484.db2.gz FPENKIKIIBQMLY-ZDUSSCGKSA-N 1 3 254.443 3.439 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000089139239 165199218 /nfs/dbraw/zinc/19/92/18/165199218.db2.gz JTZGJSVFPINLQT-JSGCOSHPSA-N 1 3 286.341 3.313 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000093211389 165325798 /nfs/dbraw/zinc/32/57/98/165325798.db2.gz HFQGYZLRWPQFQM-DRZSPHRISA-N 1 3 284.350 3.209 20 0 CGADHO CC(C)c1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000094069891 165343919 /nfs/dbraw/zinc/34/39/19/165343919.db2.gz GUAAOAJTMOFWQS-UHFFFAOYSA-N 1 3 290.451 3.140 20 0 CGADHO CC1CC[NH+](CCCN[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422808 165349696 /nfs/dbraw/zinc/34/96/96/165349696.db2.gz HWWCDXUBHDWQEO-HNNXBMFYSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)CN1CCCC1 ZINC000222069248 298793041 /nfs/dbraw/zinc/79/30/41/298793041.db2.gz OYXIBQOUVOSHKM-WCVJEAGWSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423396812 287219540 /nfs/dbraw/zinc/21/95/40/287219540.db2.gz SQXMCLNFNCRPJN-MLGOLLRUSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020121873 171000956 /nfs/dbraw/zinc/00/09/56/171000956.db2.gz GCYXHLZQNOZYNM-LLVKDONJSA-N 1 3 252.789 3.085 20 0 CGADHO c1ccc([C@H]2CCCN2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020593546 171262914 /nfs/dbraw/zinc/26/29/14/171262914.db2.gz CTDNGPFNSQJRGQ-DLBZAZTESA-N 1 3 258.409 3.356 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502269370 287268028 /nfs/dbraw/zinc/26/80/28/287268028.db2.gz OAQRSLKBGPXSCC-YYIAUSFCSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337990862 287268676 /nfs/dbraw/zinc/26/86/76/287268676.db2.gz FGNYQPLRIUCYJY-OIISXLGYSA-N 1 3 264.457 3.419 20 0 CGADHO C[NH+]1CCC(NCc2ccc3ccccc3c2)CC1 ZINC000037248697 173060825 /nfs/dbraw/zinc/06/08/25/173060825.db2.gz WJRYPQABUBRSMP-UHFFFAOYSA-N 1 3 254.377 3.024 20 0 CGADHO CC[C@H]([NH2+]C1CCNCC1)c1ccc(Cl)cc1 ZINC000038041035 174041131 /nfs/dbraw/zinc/04/11/31/174041131.db2.gz LGCHYCNGBWHMPK-AWEZNQCLSA-N 1 3 252.789 3.133 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1ccc(C(C)(C)C)cc1 ZINC000038040902 174041228 /nfs/dbraw/zinc/04/12/28/174041228.db2.gz NOOYTCMOKRKHMA-ZDUSSCGKSA-N 1 3 260.425 3.387 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000038041784 174043566 /nfs/dbraw/zinc/04/35/66/174043566.db2.gz JCJDAMXPLFOORA-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC2)CC1 ZINC000336613981 287287997 /nfs/dbraw/zinc/28/79/97/287287997.db2.gz PKWYKWNXEXZLFS-CJNGLKHVSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCC2)CC1 ZINC000336613981 287287999 /nfs/dbraw/zinc/28/79/99/287287999.db2.gz PKWYKWNXEXZLFS-CJNGLKHVSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1c2ccsc2CCN1CCCC1CC[NH2+]CC1 ZINC000050953831 416478169 /nfs/dbraw/zinc/47/81/69/416478169.db2.gz VVUDXEGYAHMBKJ-ZDUSSCGKSA-N 1 3 278.465 3.447 20 0 CGADHO CN(CCCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000050953042 416479666 /nfs/dbraw/zinc/47/96/66/416479666.db2.gz PAPWLNUMNIHDKT-UHFFFAOYSA-N 1 3 264.388 3.037 20 0 CGADHO C1C[C@@H]([NH2+][C@@H]2CCCNCC2)C2(C1)CCCCC2 ZINC000313074796 416534828 /nfs/dbraw/zinc/53/48/28/416534828.db2.gz NAVXWXOHKWWFIU-HUUCEWRRSA-N 1 3 250.430 3.221 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000404452696 416555500 /nfs/dbraw/zinc/55/55/00/416555500.db2.gz ZORZNHMVFFPARH-BXUZGUMPSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCN)s1 ZINC000404452696 416555503 /nfs/dbraw/zinc/55/55/03/416555503.db2.gz ZORZNHMVFFPARH-BXUZGUMPSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)s1 ZINC000404452696 416555505 /nfs/dbraw/zinc/55/55/05/416555505.db2.gz ZORZNHMVFFPARH-BXUZGUMPSA-N 1 3 252.427 3.006 20 0 CGADHO CC[C@H]1CN(Cc2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000134096550 416516898 /nfs/dbraw/zinc/51/68/98/416516898.db2.gz SDGLHKBUJIHJHU-RDJZCZTQSA-N 1 3 260.425 3.369 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000679092689 543591046 /nfs/dbraw/zinc/59/10/46/543591046.db2.gz QYKQRLATOWLXRN-QAPCUYQASA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000679092689 543591048 /nfs/dbraw/zinc/59/10/48/543591048.db2.gz QYKQRLATOWLXRN-QAPCUYQASA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]1CCC[C@@H](CN2CCC([NH+]3CCCC3)CC2)C1 ZINC000092794293 287394351 /nfs/dbraw/zinc/39/43/51/287394351.db2.gz OSWBDOQTYNDCAW-HZPDHXFCSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092794293 287394354 /nfs/dbraw/zinc/39/43/54/287394354.db2.gz OSWBDOQTYNDCAW-HZPDHXFCSA-N 1 3 264.457 3.373 20 0 CGADHO CCN(CCC[NH+](C)C)CC(C)(C)c1ccccc1 ZINC000685459765 544072892 /nfs/dbraw/zinc/07/28/92/544072892.db2.gz CHMJDWGNKIEIKF-UHFFFAOYSA-N 1 3 262.441 3.238 20 0 CGADHO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471202 544078519 /nfs/dbraw/zinc/07/85/19/544078519.db2.gz XAXRCKSJVZUJDD-DOTOQJQBSA-N 1 3 290.451 3.390 20 0 CGADHO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471202 544078521 /nfs/dbraw/zinc/07/85/21/544078521.db2.gz XAXRCKSJVZUJDD-DOTOQJQBSA-N 1 3 290.451 3.390 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237592 419088429 /nfs/dbraw/zinc/08/84/29/419088429.db2.gz FGDUAZMTIUQHFA-GJZGRUSLSA-N 1 3 258.365 3.182 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1(F)F ZINC000665267605 419096208 /nfs/dbraw/zinc/09/62/08/419096208.db2.gz ZLDLTDVELRICLI-YJNKXOJESA-N 1 3 286.410 3.322 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C1CCC(F)(F)CC1 ZINC000653872087 419100629 /nfs/dbraw/zinc/10/06/29/419100629.db2.gz OPHPXUNNXUFQBP-GXTWGEPZSA-N 1 3 274.399 3.274 20 0 CGADHO CCc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)s1 ZINC000665281053 419101305 /nfs/dbraw/zinc/10/13/05/419101305.db2.gz SNYNYVVJGIZSRM-WCQYABFASA-N 1 3 254.443 3.335 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283366 419102837 /nfs/dbraw/zinc/10/28/37/419102837.db2.gz MQCBDJCBNDSZGB-MNAZLIDISA-N 1 3 264.457 3.452 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCc1ccco1 ZINC000665282836 419103061 /nfs/dbraw/zinc/10/30/61/419103061.db2.gz COIFDLGCOFPQIW-HUUCEWRRSA-N 1 3 264.413 3.113 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]CC[C@@H](N)C(C)C)C2CC2)c1 ZINC000665281278 419103667 /nfs/dbraw/zinc/10/36/67/419103667.db2.gz ZAVNJONBYZMCPQ-MSOLQXFVSA-N 1 3 274.452 3.279 20 0 CGADHO Cc1cccc(C[C@H](NCC[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000665281278 419103672 /nfs/dbraw/zinc/10/36/72/419103672.db2.gz ZAVNJONBYZMCPQ-MSOLQXFVSA-N 1 3 274.452 3.279 20 0 CGADHO CC[C@@H](NCC(C)(C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665301016 419112020 /nfs/dbraw/zinc/11/20/20/419112020.db2.gz MPDFJRPGWNOSPS-MNOVXSKESA-N 1 3 266.351 3.085 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1CCCN1 ZINC000665301016 419112022 /nfs/dbraw/zinc/11/20/22/419112022.db2.gz MPDFJRPGWNOSPS-MNOVXSKESA-N 1 3 266.351 3.085 20 0 CGADHO Cc1cnc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)c(C)c1 ZINC000656199701 419148135 /nfs/dbraw/zinc/14/81/35/419148135.db2.gz BCGXQXQNGWIXJW-SJORKVTESA-N 1 3 289.467 3.141 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656197967 419148286 /nfs/dbraw/zinc/14/82/86/419148286.db2.gz SEXAJSRCRKQQGR-CABCVRRESA-N 1 3 276.424 3.048 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@H]1CCCCO1 ZINC000656202202 419149626 /nfs/dbraw/zinc/14/96/26/419149626.db2.gz ZYUKYOCOHSZGCE-YYIAUSFCSA-N 1 3 274.408 3.069 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660655543 419177943 /nfs/dbraw/zinc/17/79/43/419177943.db2.gz NATPAMWHOKAJDF-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660655543 419177946 /nfs/dbraw/zinc/17/79/46/419177946.db2.gz NATPAMWHOKAJDF-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO CCOc1ccc(CNC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000657295350 419244981 /nfs/dbraw/zinc/24/49/81/419244981.db2.gz NVQZLDMRSNDNES-UHFFFAOYSA-N 1 3 288.435 3.110 20 0 CGADHO CC[C@H]1C[C@H](NCc2ccccc2C[N@H+](C)C(C)C)CO1 ZINC000657308009 419247662 /nfs/dbraw/zinc/24/76/62/419247662.db2.gz LOTZCKVCIUBPPF-ROUUACIJSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@H]1C[C@H](NCc2ccccc2C[N@@H+](C)C(C)C)CO1 ZINC000657308009 419247664 /nfs/dbraw/zinc/24/76/64/419247664.db2.gz LOTZCKVCIUBPPF-ROUUACIJSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656788731 419220302 /nfs/dbraw/zinc/22/03/02/419220302.db2.gz BUBSPXDLWKVTII-SJORKVTESA-N 1 3 272.436 3.358 20 0 CGADHO Cc1ccc([C@H]2CCC[C@H]2NCC2([NH3+])CCCC2)cc1 ZINC000656789145 419220437 /nfs/dbraw/zinc/22/04/37/419220437.db2.gz KQWMVGXLTYFZCS-IAGOWNOFSA-N 1 3 272.436 3.492 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)NCC1([NH3+])CCCC1 ZINC000656789393 419221534 /nfs/dbraw/zinc/22/15/34/419221534.db2.gz NVJPBWOYFXVCDT-GFCCVEGCSA-N 1 3 266.816 3.132 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838501 419303294 /nfs/dbraw/zinc/30/32/94/419303294.db2.gz GFLFXOIAXVRIJQ-PMPSAXMXSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838501 419303296 /nfs/dbraw/zinc/30/32/96/419303296.db2.gz GFLFXOIAXVRIJQ-PMPSAXMXSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838501 419303298 /nfs/dbraw/zinc/30/32/98/419303298.db2.gz GFLFXOIAXVRIJQ-PMPSAXMXSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657559694 419303465 /nfs/dbraw/zinc/30/34/65/419303465.db2.gz PYGPEVPQKNIDAM-JCGIZDLHSA-N 1 3 290.426 3.282 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657559694 419303467 /nfs/dbraw/zinc/30/34/67/419303467.db2.gz PYGPEVPQKNIDAM-JCGIZDLHSA-N 1 3 290.426 3.282 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000657670302 419325799 /nfs/dbraw/zinc/32/57/99/419325799.db2.gz STAXYGJJTCVBKS-CRAIPNDOSA-N 1 3 294.483 3.331 20 0 CGADHO Cc1ccc(F)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657813638 419365780 /nfs/dbraw/zinc/36/57/80/419365780.db2.gz VVEXRJNTTAOIRK-UHFFFAOYSA-N 1 3 290.426 3.346 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(C(C)(C)C)c1 ZINC000662266419 419377152 /nfs/dbraw/zinc/37/71/52/419377152.db2.gz YHLAXCLGRXQWPP-UKRRQHHQSA-N 1 3 260.425 3.153 20 0 CGADHO CO[C@H](CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275472 419382453 /nfs/dbraw/zinc/38/24/53/419382453.db2.gz CZQWPRVFMYXJSQ-OKZBNKHCSA-N 1 3 294.483 3.046 20 0 CGADHO FC(F)(F)CCCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293975 419384672 /nfs/dbraw/zinc/38/46/72/419384672.db2.gz VPOXZAOWJAHANL-AWEZNQCLSA-N 1 3 292.389 3.431 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000662283136 419385481 /nfs/dbraw/zinc/38/54/81/419385481.db2.gz RERFULKNDGLZRC-MRXNPFEDSA-N 1 3 258.409 3.001 20 0 CGADHO COC1([C@@H](C)NCCC[NH+](C(C)C)C(C)C)CCC1 ZINC000657898572 419424544 /nfs/dbraw/zinc/42/45/44/419424544.db2.gz DURKGHJPFQLOJC-OAHLLOKOSA-N 1 3 270.461 3.043 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCCSCC1)N1CCCCC1 ZINC000657973027 419470124 /nfs/dbraw/zinc/47/01/24/419470124.db2.gz NPPVFPYHKXAUBJ-HUUCEWRRSA-N 1 3 270.486 3.126 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC000663315653 419551091 /nfs/dbraw/zinc/55/10/91/419551091.db2.gz ZYHBXRQBVGWTBN-MRXNPFEDSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663498545 419636754 /nfs/dbraw/zinc/63/67/54/419636754.db2.gz PUTHZNNLHOCLRI-KSTDHSDQSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)C ZINC000658165337 419631063 /nfs/dbraw/zinc/63/10/63/419631063.db2.gz IOIPEWKUXHIYPF-HNNXBMFYSA-N 1 3 289.467 3.318 20 0 CGADHO c1cc2c(ccnc2N2CCCC[C@H]([NH+]3CCCC3)C2)[nH]1 ZINC000663577705 419651823 /nfs/dbraw/zinc/65/18/23/419651823.db2.gz RZQHBJRKUVIYKY-AWEZNQCLSA-N 1 3 284.407 3.018 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC12CC2)N1CCCCC1 ZINC000527884538 270141928 /nfs/dbraw/zinc/14/19/28/270141928.db2.gz GJNKSXPLCCBSIB-KKUMJFAQSA-N 1 3 250.430 3.029 20 0 CGADHO CCC[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)OCC ZINC000527927744 270144695 /nfs/dbraw/zinc/14/46/95/270144695.db2.gz DGHCVBBNRBWLNN-HNNXBMFYSA-N 1 3 270.461 3.044 20 0 CGADHO C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CCCCC12CCCC2 ZINC000530216479 270195641 /nfs/dbraw/zinc/19/56/41/270195641.db2.gz PJQYEJAWPRKWPR-HUUCEWRRSA-N 1 3 262.441 3.364 20 0 CGADHO C1CC2(C1)NCC[C@H]2[NH2+][C@@H]1CCCCC12CCCC2 ZINC000530216479 270195642 /nfs/dbraw/zinc/19/56/42/270195642.db2.gz PJQYEJAWPRKWPR-HUUCEWRRSA-N 1 3 262.441 3.364 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000530215755 270195751 /nfs/dbraw/zinc/19/57/51/270195751.db2.gz IRAOHOYSEUFNBC-BSWAZPDLSA-N 1 3 270.420 3.053 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCCC1 ZINC000530219356 270196337 /nfs/dbraw/zinc/19/63/37/270196337.db2.gz LLHFWVJVJZKKFV-HUUCEWRRSA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000530219356 270196338 /nfs/dbraw/zinc/19/63/38/270196338.db2.gz LLHFWVJVJZKKFV-HUUCEWRRSA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNC12CCC2)c1ccccc1 ZINC000530245392 270197338 /nfs/dbraw/zinc/19/73/38/270197338.db2.gz XGSRCQHWHOPBJC-IRXDYDNUSA-N 1 3 272.436 3.300 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000532522055 270216966 /nfs/dbraw/zinc/21/69/66/270216966.db2.gz SNAAARZTFHUOCA-GDBMZVCRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)NCC(C)(C)[NH3+] ZINC000423288461 274210679 /nfs/dbraw/zinc/21/06/79/274210679.db2.gz SEOBHPLMAJUAGK-NSHDSACASA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H](N)C2CC2)c2sccc21 ZINC000423310682 274312924 /nfs/dbraw/zinc/31/29/24/274312924.db2.gz ARNVIZYWUUNPPY-JIMOISOXSA-N 1 3 250.411 3.013 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423219253 274478877 /nfs/dbraw/zinc/47/88/77/274478877.db2.gz SZIHSGSUJJOXAC-MGPQQGTHSA-N 1 3 296.405 3.264 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@H]1CCCCO1 ZINC000423040264 275393858 /nfs/dbraw/zinc/39/38/58/275393858.db2.gz SVVPXLUOLBJACH-XMTFNYHQSA-N 1 3 294.483 3.236 20 0 CGADHO c1ccc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250811853 287830225 /nfs/dbraw/zinc/83/02/25/287830225.db2.gz LSZCEPFFVDTZJJ-KZNAEPCWSA-N 1 3 272.436 3.130 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572565 276224719 /nfs/dbraw/zinc/22/47/19/276224719.db2.gz UZWYOUDUBFMRKG-KKUMJFAQSA-N 1 3 288.426 3.474 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572565 276224721 /nfs/dbraw/zinc/22/47/21/276224721.db2.gz UZWYOUDUBFMRKG-KKUMJFAQSA-N 1 3 288.426 3.474 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000449090024 276263636 /nfs/dbraw/zinc/26/36/36/276263636.db2.gz FYWJHRXIXZQIRS-ZJIFWQFVSA-N 1 3 252.446 3.133 20 0 CGADHO CCOCCC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423002956 276453415 /nfs/dbraw/zinc/45/34/15/276453415.db2.gz KIHXPMUYUCRKSX-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000337986679 276811483 /nfs/dbraw/zinc/81/14/83/276811483.db2.gz POWLLBNJJXJYNL-QZTJIDSGSA-N 1 3 272.436 3.417 20 0 CGADHO COCC1CCC([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000449084380 277200787 /nfs/dbraw/zinc/20/07/87/277200787.db2.gz XMLCZPZRYCNECL-MRLCAUJQSA-N 1 3 296.499 3.149 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000502687229 277237344 /nfs/dbraw/zinc/23/73/44/277237344.db2.gz YXLAYYZHTZIKSI-MHORFTMASA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)CC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000094848925 277353665 /nfs/dbraw/zinc/35/36/65/277353665.db2.gz FQAHKYXNMKAFHN-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000094848925 277353666 /nfs/dbraw/zinc/35/36/66/277353666.db2.gz FQAHKYXNMKAFHN-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@H+](CCC1CCCCCC1)[C@H]1CCCNCC1 ZINC000394537164 288002379 /nfs/dbraw/zinc/00/23/79/288002379.db2.gz PPKRLTNZHKFICB-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO C[N@@H+](CCC1CCCCCC1)[C@H]1CCCNCC1 ZINC000394537164 288002382 /nfs/dbraw/zinc/00/23/82/288002382.db2.gz PPKRLTNZHKFICB-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO CS[C@H]1CC[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000425349289 278163260 /nfs/dbraw/zinc/16/32/60/278163260.db2.gz FJOYTJPEXSSLJE-GJZGRUSLSA-N 1 3 270.486 3.125 20 0 CGADHO CS[C@H]1CC[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000425349289 278163261 /nfs/dbraw/zinc/16/32/61/278163261.db2.gz FJOYTJPEXSSLJE-GJZGRUSLSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@H](C[NH2+]C1CCC2(CC2)CC1)CN1CCCCC1 ZINC000362929298 278207927 /nfs/dbraw/zinc/20/79/27/278207927.db2.gz CAFRYJWEURGFFH-OAHLLOKOSA-N 1 3 264.457 3.421 20 0 CGADHO CC(C)CSCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000397262847 288022514 /nfs/dbraw/zinc/02/25/14/288022514.db2.gz IBWKJTPWOOXYET-GJZGRUSLSA-N 1 3 264.438 3.110 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423161122 278227425 /nfs/dbraw/zinc/22/74/25/278227425.db2.gz NIZODPIAEMFZSM-JOYOIKCWSA-N 1 3 286.341 3.198 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)c1ccc(C(F)(F)F)cc1 ZINC000423062923 278283935 /nfs/dbraw/zinc/28/39/35/278283935.db2.gz VFGYQXRVIXUWSQ-QWRGUYRKSA-N 1 3 286.341 3.006 20 0 CGADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423062923 278283936 /nfs/dbraw/zinc/28/39/36/278283936.db2.gz VFGYQXRVIXUWSQ-QWRGUYRKSA-N 1 3 286.341 3.006 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCNc1ccccc1 ZINC000422756082 278315704 /nfs/dbraw/zinc/31/57/04/278315704.db2.gz LFRNSBZDWXJSAW-APWZRJJASA-N 1 3 297.446 3.037 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000423190974 278336866 /nfs/dbraw/zinc/33/68/66/278336866.db2.gz TXDVXOMBGTUXJV-NWDGAFQWSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@@H](NC1CC[NH2+]CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000423190974 278336868 /nfs/dbraw/zinc/33/68/68/278336868.db2.gz TXDVXOMBGTUXJV-NWDGAFQWSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000356704231 278343638 /nfs/dbraw/zinc/34/36/38/278343638.db2.gz VNBFKLIDMFCASU-JKSUJKDBSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000356704231 278343640 /nfs/dbraw/zinc/34/36/40/278343640.db2.gz VNBFKLIDMFCASU-JKSUJKDBSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H]1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@H](C)O1 ZINC000414256341 278893710 /nfs/dbraw/zinc/89/37/10/278893710.db2.gz COEIANRUIDVGOX-PMPSAXMXSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@]1(c2ccccc2)CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346993015 279175805 /nfs/dbraw/zinc/17/58/05/279175805.db2.gz UIDXGVJGRUYYLW-SJLPKXTDSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346993015 279175808 /nfs/dbraw/zinc/17/58/08/279175808.db2.gz UIDXGVJGRUYYLW-SJLPKXTDSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346993015 279175811 /nfs/dbraw/zinc/17/58/11/279175811.db2.gz UIDXGVJGRUYYLW-SJLPKXTDSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H](C)C1C[NH2+]C1 ZINC000422860739 279378852 /nfs/dbraw/zinc/37/88/52/279378852.db2.gz MUFBRQOFQHDNQA-ZJUUUORDSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C1CNC1 ZINC000422860739 279378856 /nfs/dbraw/zinc/37/88/56/279378856.db2.gz MUFBRQOFQHDNQA-ZJUUUORDSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000423227916 279399929 /nfs/dbraw/zinc/39/99/29/279399929.db2.gz XMEYYGKPPGJXDU-QWRGUYRKSA-N 1 3 252.427 3.015 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422850609 279401842 /nfs/dbraw/zinc/40/18/42/279401842.db2.gz NUOLQEBJWNZAOP-FIQHERPVSA-N 1 3 266.351 3.071 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000443057668 280216306 /nfs/dbraw/zinc/21/63/06/280216306.db2.gz HRFNLPXYQSZLLR-WBMJQRKESA-N 1 3 282.378 3.477 20 0 CGADHO CN1CCCC[C@H]1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652733 288211657 /nfs/dbraw/zinc/21/16/57/288211657.db2.gz WHVRNUUBTSMFSZ-WMZOPIPTSA-N 1 3 287.451 3.387 20 0 CGADHO CC(C)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422812816 280255278 /nfs/dbraw/zinc/25/52/78/280255278.db2.gz RATUGTSPZKTQQW-BHYGNILZSA-N 1 3 260.425 3.014 20 0 CGADHO c1cc2ccc(CN3CCC(C[NH+]4CCCC4)CC3)cc2[nH]1 ZINC000529523172 288257626 /nfs/dbraw/zinc/25/76/26/288257626.db2.gz MIQUZBKYQGCHIF-UHFFFAOYSA-N 1 3 297.446 3.476 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC(F)(F)C1 ZINC000529542876 288262836 /nfs/dbraw/zinc/26/28/36/288262836.db2.gz MFIWTMDTZOMXNT-GFCCVEGCSA-N 1 3 282.378 3.272 20 0 CGADHO CC1(C)CC([NH2+]C[C@H]2CCCNC2)CC(C)(C)C1 ZINC000125448790 280912950 /nfs/dbraw/zinc/91/29/50/280912950.db2.gz VOQMPLQOZLFRJG-ZDUSSCGKSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)CC3 ZINC000414956207 281037155 /nfs/dbraw/zinc/03/71/55/281037155.db2.gz UZPDATXWLRQUSH-ZNMIVQPWSA-N 1 3 297.446 3.064 20 0 CGADHO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178330 288295464 /nfs/dbraw/zinc/29/54/64/288295464.db2.gz KFHDBHHDQCAYMQ-DZGCQCFKSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423387492 281270770 /nfs/dbraw/zinc/27/07/70/281270770.db2.gz MZIURETXUOUCHR-IBGZPJMESA-N 1 3 278.399 3.375 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+]CC1(N)CCCCC1 ZINC000423179476 281271898 /nfs/dbraw/zinc/27/18/98/281271898.db2.gz MEZUBGKPGYEAIG-MRXNPFEDSA-N 1 3 258.409 3.234 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531101304 288329346 /nfs/dbraw/zinc/32/93/46/288329346.db2.gz DBSZQBJSIFEQCG-SFHVURJKSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101304 288329349 /nfs/dbraw/zinc/32/93/49/288329349.db2.gz DBSZQBJSIFEQCG-SFHVURJKSA-N 1 3 286.463 3.467 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000532454377 288361744 /nfs/dbraw/zinc/36/17/44/288361744.db2.gz UXHVATJZVCYQCF-DLBZAZTESA-N 1 3 260.425 3.417 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCNC1 ZINC000414822962 290009256 /nfs/dbraw/zinc/00/92/56/290009256.db2.gz NPPWKAKNABPNAZ-UMSGYPCISA-N 1 3 278.362 3.085 20 0 CGADHO Cc1nc2c(s1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423366595 293438608 /nfs/dbraw/zinc/43/86/08/293438608.db2.gz BRRCIZXAHSSUOL-OAHLLOKOSA-N 1 3 299.443 3.222 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423266703 295268277 /nfs/dbraw/zinc/26/82/77/295268277.db2.gz CAGPAGSUYQNAKD-VSVYTNTFSA-N 1 3 294.483 3.364 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000313069717 297108259 /nfs/dbraw/zinc/10/82/59/297108259.db2.gz IJBSKUHSBMKIJH-ILXRZTDVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000415090570 298893870 /nfs/dbraw/zinc/89/38/70/298893870.db2.gz YAZYZHBTZTVUAS-HLLBOEOZSA-N 1 3 274.452 3.473 20 0 CGADHO Cc1cc(C)c2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423392462 301212933 /nfs/dbraw/zinc/21/29/33/301212933.db2.gz QFPKAXSOTDRCTF-BFYDXBDKSA-N 1 3 288.435 3.377 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000423271442 303420672 /nfs/dbraw/zinc/42/06/72/303420672.db2.gz HLWGXTKTMRQJLQ-AEFFLSMTSA-N 1 3 272.436 3.041 20 0 CGADHO C[N@H+](CCCN[C@@H]1CCC1(C)C)C1CCCCC1 ZINC000385035014 328008780 /nfs/dbraw/zinc/00/87/80/328008780.db2.gz IIZHMWRJNQXZDE-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CCC1(C)C)C1CCCCC1 ZINC000385035014 328008782 /nfs/dbraw/zinc/00/87/82/328008782.db2.gz IIZHMWRJNQXZDE-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO CN(CCC[NH2+][C@@H]1CCC1(C)C)C1CCCCC1 ZINC000385035014 328008783 /nfs/dbraw/zinc/00/87/83/328008783.db2.gz IIZHMWRJNQXZDE-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)CN(C)C ZINC000388754484 328300349 /nfs/dbraw/zinc/30/03/49/328300349.db2.gz MXWIBACAIJBAFK-CQSZACIVSA-N 1 3 262.441 3.271 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N(C)C)C1)Cc1ccccc1 ZINC000152734181 321704773 /nfs/dbraw/zinc/70/47/73/321704773.db2.gz KYZWLMAXETZUBR-SZMVWBNQSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000564312644 322026311 /nfs/dbraw/zinc/02/63/11/322026311.db2.gz GXOIRUOHJZOFSP-INIZCTEOSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565225941 322067821 /nfs/dbraw/zinc/06/78/21/322067821.db2.gz HKMBYWHPUGIGCA-HUUCEWRRSA-N 1 3 290.451 3.222 20 0 CGADHO CSCc1cc(F)ccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565609876 322083797 /nfs/dbraw/zinc/08/37/97/322083797.db2.gz SGNJRZQKVRRJRX-GJZGRUSLSA-N 1 3 282.428 3.048 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000566483990 322126333 /nfs/dbraw/zinc/12/63/33/322126333.db2.gz ZBUPMDBOJAMMPY-HOTGVXAUSA-N 1 3 285.435 3.453 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000567368897 322160958 /nfs/dbraw/zinc/16/09/58/322160958.db2.gz ITLDHKLFWAIRBB-YOEHRIQHSA-N 1 3 290.451 3.466 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)CC2 ZINC000567471979 322164529 /nfs/dbraw/zinc/16/45/29/322164529.db2.gz IDFXCLLENKPZMZ-GOSISDBHSA-N 1 3 266.388 3.231 20 0 CGADHO CC[NH2+]CCCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000567638854 322171518 /nfs/dbraw/zinc/17/15/18/322171518.db2.gz MHFSNUPPRXVTOW-JKSUJKDBSA-N 1 3 260.425 3.158 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2c1cccc2Cl ZINC000567639049 322171549 /nfs/dbraw/zinc/17/15/49/322171549.db2.gz ODJGODRGUYPVMT-IUIKQTSFSA-N 1 3 278.827 3.434 20 0 CGADHO c1cc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2[nH]1 ZINC000568236225 322199486 /nfs/dbraw/zinc/19/94/86/322199486.db2.gz DZJPPGZOJFUSTA-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000568451010 322209413 /nfs/dbraw/zinc/20/94/13/322209413.db2.gz BYEDBKLNBQYMCQ-ANQUJSFKSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000568451010 322209414 /nfs/dbraw/zinc/20/94/14/322209414.db2.gz BYEDBKLNBQYMCQ-ANQUJSFKSA-N 1 3 282.472 3.043 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H](NCCC[NH2+]C(C)C)C1 ZINC000568974411 322229442 /nfs/dbraw/zinc/22/94/42/322229442.db2.gz PZTWAGRZKDFSBW-IAGOWNOFSA-N 1 3 289.467 3.394 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCNC(C)C)C1 ZINC000568974411 322229445 /nfs/dbraw/zinc/22/94/45/322229445.db2.gz PZTWAGRZKDFSBW-IAGOWNOFSA-N 1 3 289.467 3.394 20 0 CGADHO CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000569501556 322249086 /nfs/dbraw/zinc/24/90/86/322249086.db2.gz FNYFWBKOIFTFFU-CHWSQXEVSA-N 1 3 282.815 3.098 20 0 CGADHO CC[C@H](F)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000569514285 322249393 /nfs/dbraw/zinc/24/93/93/322249393.db2.gz ZEFCOZUGKDJFKI-BZSNNMDCSA-N 1 3 290.426 3.188 20 0 CGADHO CC[C@H](F)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000569514285 322249395 /nfs/dbraw/zinc/24/93/95/322249395.db2.gz ZEFCOZUGKDJFKI-BZSNNMDCSA-N 1 3 290.426 3.188 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570192826 322267369 /nfs/dbraw/zinc/26/73/69/322267369.db2.gz NEWCEBVYXJTDNA-ILXRZTDVSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570192826 322267371 /nfs/dbraw/zinc/26/73/71/322267371.db2.gz NEWCEBVYXJTDNA-ILXRZTDVSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570192826 322267372 /nfs/dbraw/zinc/26/73/72/322267372.db2.gz NEWCEBVYXJTDNA-ILXRZTDVSA-N 1 3 284.513 3.227 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000573178545 322374320 /nfs/dbraw/zinc/37/43/20/322374320.db2.gz QNUSIAXDNHPEFI-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000573249313 322378033 /nfs/dbraw/zinc/37/80/33/322378033.db2.gz DKJPFOFGHXYZAA-PMPSAXMXSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H](N)C3)CC2)c(C)c1 ZINC000573505782 322391664 /nfs/dbraw/zinc/39/16/64/322391664.db2.gz MCPPMJGZEOEFMD-JKSUJKDBSA-N 1 3 272.436 3.195 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3CCC[C@H]([NH3+])C3)CC2)c(C)c1 ZINC000573505782 322391667 /nfs/dbraw/zinc/39/16/67/322391667.db2.gz MCPPMJGZEOEFMD-JKSUJKDBSA-N 1 3 272.436 3.195 20 0 CGADHO CC(F)(F)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000582975972 329297759 /nfs/dbraw/zinc/29/77/59/329297759.db2.gz SQTNSHFYXVZNBU-KGLIPLIRSA-N 1 3 268.351 3.158 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000576822324 335251976 /nfs/dbraw/zinc/25/19/76/335251976.db2.gz BFGQSKADLMVSLU-IEBWSBKVSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000576822324 335251977 /nfs/dbraw/zinc/25/19/77/335251977.db2.gz BFGQSKADLMVSLU-IEBWSBKVSA-N 1 3 286.463 3.331 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000577125721 335305317 /nfs/dbraw/zinc/30/53/17/335305317.db2.gz WKHJINPGIHVPOI-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000578905444 335688298 /nfs/dbraw/zinc/68/82/98/335688298.db2.gz CIFWFTJNMJOGTA-UAGQMJEPSA-N 1 3 260.425 3.094 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@@H](CN)C2)C1 ZINC000581191197 336021978 /nfs/dbraw/zinc/02/19/78/336021978.db2.gz PKFBNWCJPWLCFI-SZMVWBNQSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H](CN)C2)C1 ZINC000581191197 336021979 /nfs/dbraw/zinc/02/19/79/336021979.db2.gz PKFBNWCJPWLCFI-SZMVWBNQSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000581489417 336088649 /nfs/dbraw/zinc/08/86/49/336088649.db2.gz XJHJTCGSSOWOTP-GHMZBOCLSA-N 1 3 272.795 3.127 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1c(F)cccc1Cl ZINC000581489417 336088651 /nfs/dbraw/zinc/08/86/51/336088651.db2.gz XJHJTCGSSOWOTP-GHMZBOCLSA-N 1 3 272.795 3.127 20 0 CGADHO CSCC1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000385400626 336145717 /nfs/dbraw/zinc/14/57/17/336145717.db2.gz BODIDZGJDWCQCL-FHERZECASA-N 1 3 284.513 3.230 20 0 CGADHO CC[C@@H]1CN(Cc2cc(C)c(C)cc2C)CC[C@@H]1[NH3+] ZINC000220233496 572875820 /nfs/dbraw/zinc/87/58/20/572875820.db2.gz WFDSIGYWZIRYAT-WBVHZDCISA-N 1 3 260.425 3.171 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423299405 533772367 /nfs/dbraw/zinc/77/23/67/533772367.db2.gz QBTNYBIJZNFSQE-HOTGVXAUSA-N 1 3 282.431 3.391 20 0 CGADHO C[C@H]([NH2+]CCCNC1CC1)c1cc2c(s1)CCC2 ZINC000423533843 533853112 /nfs/dbraw/zinc/85/31/12/533853112.db2.gz YWXFFCQSWYPDGI-NSHDSACASA-N 1 3 264.438 3.030 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cc2ccccc2s1 ZINC000423321676 533898506 /nfs/dbraw/zinc/89/85/06/533898506.db2.gz NKVGRVBWJFXMLE-GWCFXTLKSA-N 1 3 260.406 3.289 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423284594 533965875 /nfs/dbraw/zinc/96/58/75/533965875.db2.gz WZWQCDPCWVWEAV-OMNBBPDLSA-N 1 3 258.409 3.342 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)c2ccccc21 ZINC000423284594 533965883 /nfs/dbraw/zinc/96/58/83/533965883.db2.gz WZWQCDPCWVWEAV-OMNBBPDLSA-N 1 3 258.409 3.342 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000423398352 534005742 /nfs/dbraw/zinc/00/57/42/534005742.db2.gz VHCLOAWTNVNHLW-MDZLAQPJSA-N 1 3 264.438 3.028 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000449237550 534259371 /nfs/dbraw/zinc/25/93/71/534259371.db2.gz BZQYJVSJRFURKJ-GJZGRUSLSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@@H](Cc1ccoc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000449237550 534259373 /nfs/dbraw/zinc/25/93/73/534259373.db2.gz BZQYJVSJRFURKJ-GJZGRUSLSA-N 1 3 264.413 3.065 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643694 524045953 /nfs/dbraw/zinc/04/59/53/524045953.db2.gz ZDWVWMCGGBVJDX-HOCLYGCPSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000037643694 524045957 /nfs/dbraw/zinc/04/59/57/524045957.db2.gz ZDWVWMCGGBVJDX-HOCLYGCPSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000037643694 524045960 /nfs/dbraw/zinc/04/59/60/524045960.db2.gz ZDWVWMCGGBVJDX-HOCLYGCPSA-N 1 3 260.425 3.241 20 0 CGADHO C1[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CCC1 ZINC000424372167 526424236 /nfs/dbraw/zinc/42/42/36/526424236.db2.gz HHQDSINQYHJTAN-ZOFXXKQRSA-N 1 3 262.441 3.075 20 0 CGADHO C1[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCCN2)[C@@H]1C1CCC1 ZINC000424372167 526424242 /nfs/dbraw/zinc/42/42/42/526424242.db2.gz HHQDSINQYHJTAN-ZOFXXKQRSA-N 1 3 262.441 3.075 20 0 CGADHO CC(C)(N)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423288091 527256690 /nfs/dbraw/zinc/25/66/90/527256690.db2.gz QLJJPSQIHSJJQJ-KRWDZBQOSA-N 1 3 286.394 3.436 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156023250 527476910 /nfs/dbraw/zinc/47/69/10/527476910.db2.gz STLJZSAHQXBKAO-HZPDHXFCSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156023250 527476915 /nfs/dbraw/zinc/47/69/15/527476915.db2.gz STLJZSAHQXBKAO-HZPDHXFCSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156023250 527476919 /nfs/dbraw/zinc/47/69/19/527476919.db2.gz STLJZSAHQXBKAO-HZPDHXFCSA-N 1 3 250.430 3.173 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)C1CCC1 ZINC000358214060 527489802 /nfs/dbraw/zinc/48/98/02/527489802.db2.gz DAGOITTVHLBGIF-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423316694 527782185 /nfs/dbraw/zinc/78/21/85/527782185.db2.gz JYUGLBZPPWYOGX-KDOFPFPSSA-N 1 3 290.451 3.499 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026003 527832134 /nfs/dbraw/zinc/83/21/34/527832134.db2.gz DGBJNVMJKFVQHT-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026003 527832137 /nfs/dbraw/zinc/83/21/37/527832137.db2.gz DGBJNVMJKFVQHT-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026006 527833087 /nfs/dbraw/zinc/83/30/87/527833087.db2.gz DGBJNVMJKFVQHT-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(C)c2)C[C@@H]1C ZINC000449026006 527833090 /nfs/dbraw/zinc/83/30/90/527833090.db2.gz DGBJNVMJKFVQHT-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO CC(C)O[C@H](C[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000428253464 528075678 /nfs/dbraw/zinc/07/56/78/528075678.db2.gz QSCSJORBQUAIAQ-SJLPKXTDSA-N 1 3 290.451 3.036 20 0 CGADHO CC(C)O[C@H](C[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000428253464 528075683 /nfs/dbraw/zinc/07/56/83/528075683.db2.gz QSCSJORBQUAIAQ-SJLPKXTDSA-N 1 3 290.451 3.036 20 0 CGADHO CCC[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000449374785 528150700 /nfs/dbraw/zinc/15/07/00/528150700.db2.gz GGVSQIUBWDPUBF-RYQLBKOJSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[N@H+](C)CC1CCN(C[C@H](F)CC)CC1 ZINC000440694017 528339423 /nfs/dbraw/zinc/33/94/23/528339423.db2.gz PVNSRSMIRLPULR-OAHLLOKOSA-N 1 3 258.425 3.178 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(C[C@H](F)CC)CC1 ZINC000440694017 528339427 /nfs/dbraw/zinc/33/94/27/528339427.db2.gz PVNSRSMIRLPULR-OAHLLOKOSA-N 1 3 258.425 3.178 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423399364 528437967 /nfs/dbraw/zinc/43/79/67/528437967.db2.gz VVNYAENLEMTGSM-BPQIPLTHSA-N 1 3 274.452 3.374 20 0 CGADHO CC(C)n1cncc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000425341673 528620904 /nfs/dbraw/zinc/62/09/04/528620904.db2.gz XPJKKCNVAHOQIV-UHFFFAOYSA-N 1 3 292.471 3.018 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1OC ZINC000423433326 528690518 /nfs/dbraw/zinc/69/05/18/528690518.db2.gz CCGWWVURXZYHTL-MCIONIFRSA-N 1 3 294.439 3.260 20 0 CGADHO CCCCOc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423343438 528691084 /nfs/dbraw/zinc/69/10/84/528691084.db2.gz DMBFLQMOYRFXGB-HNNXBMFYSA-N 1 3 288.435 3.436 20 0 CGADHO CCCOc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423338756 528720981 /nfs/dbraw/zinc/72/09/81/528720981.db2.gz INDYLCKZUVKGJD-CQSZACIVSA-N 1 3 274.408 3.046 20 0 CGADHO CCN(Cc1ccc(C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435392550 528777318 /nfs/dbraw/zinc/77/73/18/528777318.db2.gz XDENPDAWTZCKGS-ZDUSSCGKSA-N 1 3 252.427 3.021 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000367999230 528897481 /nfs/dbraw/zinc/89/74/81/528897481.db2.gz UAXLLOQIXLHCER-VGWMRTNUSA-N 1 3 252.446 3.418 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423282896 528949464 /nfs/dbraw/zinc/94/94/64/528949464.db2.gz DIOCGHXOYNDDHI-KBPBESRZSA-N 1 3 278.440 3.294 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423283888 528951104 /nfs/dbraw/zinc/95/11/04/528951104.db2.gz FTTYKZGICMOLFX-MRXNPFEDSA-N 1 3 276.424 3.180 20 0 CGADHO CCCC[C@H](C[NH3+])N[C@H](C)Cc1coc2ccccc12 ZINC000423302898 528957021 /nfs/dbraw/zinc/95/70/21/528957021.db2.gz WFNIOQMUIWYEMA-UKRRQHHQSA-N 1 3 274.408 3.471 20 0 CGADHO CCOC[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000427868989 528976621 /nfs/dbraw/zinc/97/66/21/528976621.db2.gz RLZQGSOXKCNKHR-YQQAZPJKSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423388252 528987730 /nfs/dbraw/zinc/98/77/30/528987730.db2.gz IKXUAIIBOCOLDT-BPQIPLTHSA-N 1 3 274.452 3.231 20 0 CGADHO CCC[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414194613 529008244 /nfs/dbraw/zinc/00/82/44/529008244.db2.gz ULGSQQMIHPCESY-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO CCC[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194613 529008252 /nfs/dbraw/zinc/00/82/52/529008252.db2.gz ULGSQQMIHPCESY-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccsc1 ZINC000425952828 529009412 /nfs/dbraw/zinc/00/94/12/529009412.db2.gz ULHMUERKVPADEQ-TZMCWYRMSA-N 1 3 254.443 3.377 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1cccc(Br)c1 ZINC000423280377 529178706 /nfs/dbraw/zinc/17/87/06/529178706.db2.gz UATVBXWAFWPKJR-UONOGXRCSA-N 1 3 299.256 3.473 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423343193 529246707 /nfs/dbraw/zinc/24/67/07/529246707.db2.gz ZLIVAUJKBQDKOZ-GFCCVEGCSA-N 1 3 264.438 3.331 20 0 CGADHO CCSc1ccccc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423299414 529257772 /nfs/dbraw/zinc/25/77/72/529257772.db2.gz QDRCUKHSHOAWKV-NEPJUHHUSA-N 1 3 252.427 3.044 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1cscn1 ZINC000450759294 535577834 /nfs/dbraw/zinc/57/78/34/535577834.db2.gz OYMKDJCMVKUHFJ-HOCLYGCPSA-N 1 3 295.496 3.176 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166389122 572814683 /nfs/dbraw/zinc/81/46/83/572814683.db2.gz RBZLKMOKODUTNZ-ZWKOTPCHSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166389122 572814687 /nfs/dbraw/zinc/81/46/87/572814687.db2.gz RBZLKMOKODUTNZ-ZWKOTPCHSA-N 1 3 286.463 3.489 20 0 CGADHO Cl/C=C\CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000255111610 617928809 /nfs/dbraw/zinc/92/88/09/617928809.db2.gz QYPQOBNIIUOWBI-YWEYNIOJSA-N 1 3 270.848 3.327 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000044515548 618615014 /nfs/dbraw/zinc/61/50/14/618615014.db2.gz YXNNPZCEATZWTM-GFCCVEGCSA-N 1 3 289.448 3.289 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2CC=CC2)CC1 ZINC000926746078 618857632 /nfs/dbraw/zinc/85/76/32/618857632.db2.gz UINIFSWDDPYQPK-UHFFFAOYSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H](NCC(C)(C)F)c1cccc(C[NH+](C)C)c1 ZINC000926779097 618885402 /nfs/dbraw/zinc/88/54/02/618885402.db2.gz GXKBTXIAUCXFKD-GFCCVEGCSA-N 1 3 252.377 3.147 20 0 CGADHO C[C@@H]([NH3+])[C@@H](NC1CCC(F)(F)CC1)c1ccccc1 ZINC000925630806 619097514 /nfs/dbraw/zinc/09/75/14/619097514.db2.gz UAKYLSQYONRIRZ-BXUZGUMPSA-N 1 3 268.351 3.242 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000925682868 619131310 /nfs/dbraw/zinc/13/13/10/619131310.db2.gz GXJZEQXQOPONRF-XYVMCAHJSA-N 1 3 290.451 3.116 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC(F)F ZINC000925714222 619160205 /nfs/dbraw/zinc/16/02/05/619160205.db2.gz XHMYBODOLYKFIB-FPMFFAJLSA-N 1 3 274.399 3.036 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1NCCc1c[nH]c2c1cccc2Cl ZINC000925724906 619181350 /nfs/dbraw/zinc/18/13/50/619181350.db2.gz NXCAYIJPAXFDKJ-ABAIWWIYSA-N 1 3 291.826 3.094 20 0 CGADHO CC1(C)[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H]2CCCN[C@@H]21 ZINC000925736304 619210550 /nfs/dbraw/zinc/21/05/50/619210550.db2.gz LSKNLGAXOCPXQB-RFQIPJPRSA-N 1 3 286.410 3.178 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776983 619239652 /nfs/dbraw/zinc/23/96/52/619239652.db2.gz BMGBDTHRYPYMFL-MLGOLLRUSA-N 1 3 294.389 3.071 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925779204 619241852 /nfs/dbraw/zinc/24/18/52/619241852.db2.gz MFTCOKRRXYXDGW-WFASDCNBSA-N 1 3 282.378 3.144 20 0 CGADHO CC[C@H](N[C@@H](C)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000925780178 619242863 /nfs/dbraw/zinc/24/28/63/619242863.db2.gz SAYONKKGTOVIHP-UGSOOPFHSA-N 1 3 268.404 3.488 20 0 CGADHO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925781742 619243496 /nfs/dbraw/zinc/24/34/96/619243496.db2.gz JOZUIKLMAYFTRM-UKRRQHHQSA-N 1 3 282.378 3.199 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925828792 619281692 /nfs/dbraw/zinc/28/16/92/619281692.db2.gz ZYUSPCMNJQDDGX-MRVWCRGKSA-N 1 3 250.361 3.055 20 0 CGADHO CSCCCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000235152213 619300428 /nfs/dbraw/zinc/30/04/28/619300428.db2.gz UARYVZVYFKWOOT-UONOGXRCSA-N 1 3 258.475 3.017 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)N(C)C ZINC000895292216 619797627 /nfs/dbraw/zinc/79/76/27/619797627.db2.gz NAJPVEJXDTXBBJ-YIYPIFLZSA-N 1 3 266.454 3.170 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+]CC[C@H](C)N(C)C ZINC000895293985 619797687 /nfs/dbraw/zinc/79/76/87/619797687.db2.gz MTERDTMRQUWROS-KGLIPLIRSA-N 1 3 266.404 3.077 20 0 CGADHO Cc1coc(CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000895682459 619871986 /nfs/dbraw/zinc/87/19/86/619871986.db2.gz DMVWFQNQPHHNEW-UHFFFAOYSA-N 1 3 264.413 3.286 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H](CCO)CC(C)C)CC1 ZINC000925192661 620224606 /nfs/dbraw/zinc/22/46/06/620224606.db2.gz RXMRYLZJUPLLSW-KRWDZBQOSA-N 1 3 298.515 3.131 20 0 CGADHO CC(C)C[C@H](C)CN1CCC([NH2+]C2CCC2)CC1 ZINC000897982353 620461954 /nfs/dbraw/zinc/46/19/54/620461954.db2.gz KPUJLUDMQROXEO-AWEZNQCLSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCC(C)(C)O2)CC1 ZINC000898049021 620464672 /nfs/dbraw/zinc/46/46/72/620464672.db2.gz URYLPIFQNUXMRD-HNNXBMFYSA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@H]2CCCS2)CC1 ZINC000866478158 620535441 /nfs/dbraw/zinc/53/54/41/620535441.db2.gz FTGSRLHWXZEHNZ-CQSZACIVSA-N 1 3 270.486 3.125 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000902402736 621306734 /nfs/dbraw/zinc/30/67/34/621306734.db2.gz CBVJWVBAJDTZEX-YNEHKIRRSA-N 1 3 290.373 3.251 20 0 CGADHO [NH3+]C1(CN[C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000902413862 621323450 /nfs/dbraw/zinc/32/34/50/621323450.db2.gz OXYSOIUUJBHAQF-ZDUSSCGKSA-N 1 3 272.417 3.360 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)cc1 ZINC000902471789 621342437 /nfs/dbraw/zinc/34/24/37/621342437.db2.gz SOAJTFSLHTWSNZ-NNPSNHGLSA-N 1 3 270.420 3.114 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CCOCC1 ZINC000902755460 621426654 /nfs/dbraw/zinc/42/66/54/621426654.db2.gz PHMOETJYNQWUIT-AEFFLSMTSA-N 1 3 296.499 3.149 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902832226 621465803 /nfs/dbraw/zinc/46/58/03/621465803.db2.gz KJHJCDOFQDVAKK-RZLSGREXSA-N 1 3 250.430 3.028 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000903330900 621705123 /nfs/dbraw/zinc/70/51/23/621705123.db2.gz LMBBTRHBGUWXTP-ZOBUZTSGSA-N 1 3 296.499 3.433 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000903330897 621705399 /nfs/dbraw/zinc/70/53/99/621705399.db2.gz LMBBTRHBGUWXTP-HLLBOEOZSA-N 1 3 296.499 3.433 20 0 CGADHO CC[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903379872 621723049 /nfs/dbraw/zinc/72/30/49/621723049.db2.gz ZRUAZLRRZMIJAF-SJORKVTESA-N 1 3 275.440 3.243 20 0 CGADHO CC[C@H](NC[C@@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000903760232 621802414 /nfs/dbraw/zinc/80/24/14/621802414.db2.gz WITYPQKFCPCNSH-PBHICJAKSA-N 1 3 276.424 3.126 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H](N)CC(F)F)C1 ZINC000903910526 621832093 /nfs/dbraw/zinc/83/20/93/621832093.db2.gz NBXDWPRTZYLDJQ-NVXWUHKLSA-N 1 3 296.405 3.314 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H](N)CC(F)F)C1 ZINC000903910526 621832094 /nfs/dbraw/zinc/83/20/94/621832094.db2.gz NBXDWPRTZYLDJQ-NVXWUHKLSA-N 1 3 296.405 3.314 20 0 CGADHO CC[C@H](CN1CCC([NH3+])(CC)CC1)c1ccccc1 ZINC000903946648 621839599 /nfs/dbraw/zinc/83/95/99/621839599.db2.gz YALDDSXTMGZZLY-OAHLLOKOSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@@]1(CN2CCC[C@@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303823 621901864 /nfs/dbraw/zinc/90/18/64/621901864.db2.gz IKQUAQXRVAAHEN-UKRRQHHQSA-N 1 3 264.438 3.275 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H](C)CC[NH+](C)C)cc1C ZINC000753644665 626460947 /nfs/dbraw/zinc/46/09/47/626460947.db2.gz WCBZTGGJTKVOCS-CABCVRRESA-N 1 3 278.440 3.303 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000759381529 626892524 /nfs/dbraw/zinc/89/25/24/626892524.db2.gz ZCXAJZHRGVTBMJ-BBWFWOEESA-N 1 3 284.488 3.122 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000759381529 626892526 /nfs/dbraw/zinc/89/25/26/626892526.db2.gz ZCXAJZHRGVTBMJ-BBWFWOEESA-N 1 3 284.488 3.122 20 0 CGADHO C[C@H]1C[N@H+](CC[C@H]2CCCN2C)Cc2ccccc21 ZINC000767355788 627400924 /nfs/dbraw/zinc/40/09/24/627400924.db2.gz VHJKHYVMSWJLIJ-GOEBONIOSA-N 1 3 258.409 3.090 20 0 CGADHO C[C@H]1C[N@@H+](CC[C@H]2CCCN2C)Cc2ccccc21 ZINC000767355788 627400928 /nfs/dbraw/zinc/40/09/28/627400928.db2.gz VHJKHYVMSWJLIJ-GOEBONIOSA-N 1 3 258.409 3.090 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776252789 628184606 /nfs/dbraw/zinc/18/46/06/628184606.db2.gz ZAMAPOHTCOAKJU-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000785483100 628866039 /nfs/dbraw/zinc/86/60/39/628866039.db2.gz SZPWKFUCWLXFOT-ROUUACIJSA-N 1 3 283.419 3.197 20 0 CGADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000863481469 629587852 /nfs/dbraw/zinc/58/78/52/629587852.db2.gz DSNQFUOBURLXRC-JJXSEGSLSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cn(C(F)F)c2ccccc12 ZINC000863545833 629603071 /nfs/dbraw/zinc/60/30/71/629603071.db2.gz IAZAPDHOLHJQNZ-GHMZBOCLSA-N 1 3 281.350 3.252 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546087 629603871 /nfs/dbraw/zinc/60/38/71/629603871.db2.gz JFXRHWYITJIUMX-QWHCGFSZSA-N 1 3 279.334 3.006 20 0 CGADHO Cc1cnc(CNCCC2CC[NH+](C(C)C)CC2)s1 ZINC000865716837 630453089 /nfs/dbraw/zinc/45/30/89/630453089.db2.gz FTHOPHKWDACPDQ-UHFFFAOYSA-N 1 3 281.469 3.052 20 0 CGADHO Cc1cc(Br)cc(C[N@@H+](C)CCCN(C)C)c1 ZINC000809729809 630793358 /nfs/dbraw/zinc/79/33/58/630793358.db2.gz OHNJHVDUXWBFLX-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO Cc1cc(Br)cc(C[N@H+](C)CCCN(C)C)c1 ZINC000809729809 630793364 /nfs/dbraw/zinc/79/33/64/630793364.db2.gz OHNJHVDUXWBFLX-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO CCc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000817929557 632236077 /nfs/dbraw/zinc/23/60/77/632236077.db2.gz PTTRIPVADKABKT-GBESFXJTSA-N 1 3 296.414 3.017 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1(N)CCCCC1 ZINC000817934991 632237911 /nfs/dbraw/zinc/23/79/11/632237911.db2.gz DKOIHWNGBGAWDM-MRXNPFEDSA-N 1 3 258.409 3.234 20 0 CGADHO CCC[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccnc1 ZINC000817949191 632245396 /nfs/dbraw/zinc/24/53/96/632245396.db2.gz NKZHQSMDWBDTPM-GOSISDBHSA-N 1 3 283.419 3.214 20 0 CGADHO C[C@H](CCc1cccnc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000866338889 633087692 /nfs/dbraw/zinc/08/76/92/633087692.db2.gz ZNAFEQUAFYPDLA-SJORKVTESA-N 1 3 289.467 3.257 20 0 CGADHO CO[C@@H](C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706440 633234792 /nfs/dbraw/zinc/23/47/92/633234792.db2.gz BPKJBLMIGPTRPS-WMZOPIPTSA-N 1 3 290.451 3.071 20 0 CGADHO CO[C@@H](C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706440 633234794 /nfs/dbraw/zinc/23/47/94/633234794.db2.gz BPKJBLMIGPTRPS-WMZOPIPTSA-N 1 3 290.451 3.071 20 0 CGADHO CC[C@@H](CCC(F)(F)F)[NH2+]CCCN(C)C(C)C ZINC000872021249 633942521 /nfs/dbraw/zinc/94/25/21/633942521.db2.gz PLWJYZKTIPXUJY-LBPRGKRZSA-N 1 3 268.367 3.427 20 0 CGADHO CCC[NH+]1CCC(NCc2cccc3ncccc23)CC1 ZINC000872125137 634048109 /nfs/dbraw/zinc/04/81/09/634048109.db2.gz ZCTXQPUSJICYSZ-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO Cc1ccc2c(ccc(C)c2CN2CCC([NH3+])CC2)c1 ZINC000872142006 634064408 /nfs/dbraw/zinc/06/44/08/634064408.db2.gz GKYWHUWXEASCOQ-UHFFFAOYSA-N 1 3 268.404 3.380 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211548 634286350 /nfs/dbraw/zinc/28/63/50/634286350.db2.gz BWOITYPCGJCIJF-FZMZJTMJSA-N 1 3 264.438 3.062 20 0 CGADHO c1c(C[NH2+]CC2CCCCC2)sc2c1CNCC2 ZINC000873212375 634286877 /nfs/dbraw/zinc/28/68/77/634286877.db2.gz ZWVOMATUJPIZLB-UHFFFAOYSA-N 1 3 264.438 3.064 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873213455 634286899 /nfs/dbraw/zinc/28/68/99/634286899.db2.gz ZYOPCSDCUMYEQD-NSHDSACASA-N 1 3 292.473 3.176 20 0 CGADHO C[C@H](CCC(F)(F)F)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238413 634297040 /nfs/dbraw/zinc/29/70/40/634297040.db2.gz ZSQTZIYBKIIZCA-GHMZBOCLSA-N 1 3 266.351 3.085 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1CN)C(F)(F)F ZINC000873247354 634299387 /nfs/dbraw/zinc/29/93/87/634299387.db2.gz LKAPVJREDXWGKC-MNOVXSKESA-N 1 3 266.351 3.072 20 0 CGADHO CC(C)[NH+]1CCC(CCNCc2cc(C3CC3)no2)CC1 ZINC000877697431 635149124 /nfs/dbraw/zinc/14/91/24/635149124.db2.gz MDGOCYMFWQIQOF-UHFFFAOYSA-N 1 3 291.439 3.152 20 0 CGADHO Cc1nc(CN(CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000877767748 635194322 /nfs/dbraw/zinc/19/43/22/635194322.db2.gz VXWWDHXHJPKJDE-UHFFFAOYSA-N 1 3 295.496 3.251 20 0 CGADHO C[C@@H](NCCC[C@@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000844922954 635984723 /nfs/dbraw/zinc/98/47/23/635984723.db2.gz DPLQKDXCDFMACE-IJLUTSLNSA-N 1 3 279.255 3.081 20 0 CGADHO C[C@@H](CSC(C)(C)C)NCc1ccc(C[NH3+])cc1F ZINC000844923781 635986048 /nfs/dbraw/zinc/98/60/48/635986048.db2.gz KCDQXIXBRMXZDW-NSHDSACASA-N 1 3 284.444 3.294 20 0 CGADHO CC1([NH+]2CCC2)CCN(CCC2=CCCCC2)CC1 ZINC000880475483 636007763 /nfs/dbraw/zinc/00/77/63/636007763.db2.gz VASUFDVPBNVGRC-UHFFFAOYSA-N 1 3 262.441 3.437 20 0 CGADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C=CCC2)CC1 ZINC000850358634 637027258 /nfs/dbraw/zinc/02/72/58/637027258.db2.gz IEGPJKXHBJZKSB-GOSISDBHSA-N 1 3 299.462 3.027 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C(C)(C)C(F)F ZINC000850439481 637065361 /nfs/dbraw/zinc/06/53/61/637065361.db2.gz KSPQNEOAYCTFTO-SDDRHHMPSA-N 1 3 262.388 3.129 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2c(c1)CCCO2 ZINC000850541117 637114952 /nfs/dbraw/zinc/11/49/52/637114952.db2.gz RVXCHMFFHUUKCB-YOEHRIQHSA-N 1 3 288.435 3.147 20 0 CGADHO CC[C@@H]1COC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850540491 637115100 /nfs/dbraw/zinc/11/51/00/637115100.db2.gz NQPNPVUPTYAKQC-AEFFLSMTSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1COC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850540491 637115103 /nfs/dbraw/zinc/11/51/03/637115103.db2.gz NQPNPVUPTYAKQC-AEFFLSMTSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[NH+]1CCC(N(C)CCc2cccs2)CC1 ZINC000109788254 637268789 /nfs/dbraw/zinc/26/87/89/637268789.db2.gz AOTFIMMHDZVTJH-UHFFFAOYSA-N 1 3 266.454 3.097 20 0 CGADHO Cc1coc(CNCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000885922853 637312737 /nfs/dbraw/zinc/31/27/37/637312737.db2.gz JPLVXYPLUNXYGP-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1coc(CNCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000885922853 637312743 /nfs/dbraw/zinc/31/27/43/637312743.db2.gz JPLVXYPLUNXYGP-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO Fc1cccc(/C=C/C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000886102269 637412166 /nfs/dbraw/zinc/41/21/66/637412166.db2.gz CDIASMCTQLKDLW-FNORWQNLSA-N 1 3 288.410 3.445 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886841658 637713816 /nfs/dbraw/zinc/71/38/16/637713816.db2.gz RNASJQKUZCSANI-QAPCUYQASA-N 1 3 294.483 3.033 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886841658 637713829 /nfs/dbraw/zinc/71/38/29/637713829.db2.gz RNASJQKUZCSANI-QAPCUYQASA-N 1 3 294.483 3.033 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)CN1CCCC1 ZINC000222057365 637774103 /nfs/dbraw/zinc/77/41/03/637774103.db2.gz VQTQRHRSSQJKCM-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[C@H]2C2CC2)cc1 ZINC000854224752 638027214 /nfs/dbraw/zinc/02/72/14/638027214.db2.gz QVVMEXMLWHFTTO-FJIDUMEYSA-N 1 3 288.410 3.049 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000924526994 638349440 /nfs/dbraw/zinc/34/94/40/638349440.db2.gz JFMXZNQXXBKEJQ-ZFWWWQNUSA-N 1 3 293.455 3.461 20 0 CGADHO Cc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924698084 638391308 /nfs/dbraw/zinc/39/13/08/638391308.db2.gz VMYWHTHJVLMHIT-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000925192065 638471989 /nfs/dbraw/zinc/47/19/89/638471989.db2.gz SUEYZMWKMQHURK-UHFFFAOYSA-N 1 3 280.378 3.429 20 0 CGADHO Cc1cccc2c1[C@@H](NC1CC[NH+](C(C)C)CC1)CC2 ZINC000925303598 638493346 /nfs/dbraw/zinc/49/33/46/638493346.db2.gz OLULGABLWLDSFI-KRWDZBQOSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]1CN(CCCC[NH2+]C2CC3(C2)CCCC3)C[C@H](C)O1 ZINC000925439008 638502710 /nfs/dbraw/zinc/50/27/10/638502710.db2.gz HCUPSXHVTPLWIJ-HOTGVXAUSA-N 1 3 294.483 3.188 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C(C1CC1)C1CC1 ZINC000925513852 638515000 /nfs/dbraw/zinc/51/50/00/638515000.db2.gz HXDDVSNJADRFHP-QZTJIDSGSA-N 1 3 276.468 3.181 20 0 CGADHO FC1(F)CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925627914 638549239 /nfs/dbraw/zinc/54/92/39/638549239.db2.gz BVUJYCGUKMDWDX-CABCVRRESA-N 1 3 286.410 3.322 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000925662598 638560407 /nfs/dbraw/zinc/56/04/07/638560407.db2.gz JTEYJYOYUPHAGD-MQYQWHSLSA-N 1 3 286.410 3.178 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cc2c(s1)CCC2 ZINC000925739731 638591711 /nfs/dbraw/zinc/59/17/11/638591711.db2.gz DRQOIPOSIMKFNV-SNVBAGLBSA-N 1 3 252.427 3.015 20 0 CGADHO Cc1cc([C@H](C)NCCC(C)(C)[NH3+])cc(C)c1F ZINC000925742859 638594543 /nfs/dbraw/zinc/59/45/43/638594543.db2.gz YAPVMVGDMCRWAV-LBPRGKRZSA-N 1 3 252.377 3.221 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925766229 638602601 /nfs/dbraw/zinc/60/26/01/638602601.db2.gz RDOBCSJPYBIWCE-MGBSGCIJSA-N 1 3 273.424 3.078 20 0 CGADHO COc1ccc([C@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc12 ZINC000925790899 638614931 /nfs/dbraw/zinc/61/49/31/638614931.db2.gz MTZAFPCHYVUNOH-ILXRZTDVSA-N 1 3 298.430 3.355 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CNc1ccnc(CO)c1 ZINC000858352292 638689859 /nfs/dbraw/zinc/68/98/59/638689859.db2.gz XXAVVEDKVLAUQM-UHFFFAOYSA-N 1 3 299.418 3.026 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccnc(CO)c1 ZINC000858352292 638689861 /nfs/dbraw/zinc/68/98/61/638689861.db2.gz XXAVVEDKVLAUQM-UHFFFAOYSA-N 1 3 299.418 3.026 20 0 CGADHO CSC1CC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000926118738 638711124 /nfs/dbraw/zinc/71/11/24/638711124.db2.gz BSURXEZMSHBUEX-NNNQGMHWSA-N 1 3 282.497 3.123 20 0 CGADHO C[C@H](CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)N1CCCCC1 ZINC000926146292 638722181 /nfs/dbraw/zinc/72/21/81/638722181.db2.gz UNUJAWGMUXNMJW-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490592 638741417 /nfs/dbraw/zinc/74/14/17/638741417.db2.gz KCKVANQBDWEMLT-KGLIPLIRSA-N 1 3 272.502 3.228 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CCC(C)(C)O2)CC1 ZINC000926220664 638745290 /nfs/dbraw/zinc/74/52/90/638745290.db2.gz CIWLROIDFJJFEC-INIZCTEOSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cccnc1CCNC1CC[NH+](CCC(C)C)CC1 ZINC000926529488 638781361 /nfs/dbraw/zinc/78/13/61/638781361.db2.gz XPZPIHCAOKMNQH-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO Cc1cccnc1CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926529488 638781367 /nfs/dbraw/zinc/78/13/67/638781367.db2.gz XPZPIHCAOKMNQH-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO COCC(C)(C)CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926823579 638815248 /nfs/dbraw/zinc/81/52/48/638815248.db2.gz UAOIMLLAHZJHON-UHFFFAOYSA-N 1 3 284.488 3.149 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000305782795 640903986 /nfs/dbraw/zinc/90/39/86/640903986.db2.gz VRCMHIYPLXBDFJ-DZGCQCFKSA-N 1 3 296.480 3.024 20 0 CGADHO CCC[C@H](CC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257250706 807069230 /nfs/dbraw/zinc/06/92/30/807069230.db2.gz TXKZLMVVKATHDY-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H](C)C[C@@H](C)Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157888881 805897887 /nfs/dbraw/zinc/89/78/87/805897887.db2.gz QSJAXPQJYZRUJB-ZIAGYGMSSA-N 1 3 290.455 3.246 20 0 CGADHO CC[NH+](CC)[C@@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001252956535 806139849 /nfs/dbraw/zinc/13/98/49/806139849.db2.gz FEIKMJPPCBYOFQ-OAHLLOKOSA-N 1 3 283.419 3.464 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCCC1 ZINC001253080125 806161166 /nfs/dbraw/zinc/16/11/66/806161166.db2.gz MKFMUQCEZYNERV-KRWDZBQOSA-N 1 3 258.409 3.058 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC001253095763 806166057 /nfs/dbraw/zinc/16/60/57/806166057.db2.gz MGPZTBYRYBFVCW-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC001253095763 806166060 /nfs/dbraw/zinc/16/60/60/806166060.db2.gz MGPZTBYRYBFVCW-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1nc(-n2ccc3cccc(C[NH3+])c32)cc2[nH]ccc21 ZINC001160460781 806273723 /nfs/dbraw/zinc/27/37/23/806273723.db2.gz LJEYLBFVMPTBGU-UHFFFAOYSA-N 1 3 276.343 3.274 20 0 CGADHO CCCC[NH+](CCCC)CCCNC[C@H](O)C(C)(C)C ZINC001253741891 806293382 /nfs/dbraw/zinc/29/33/82/806293382.db2.gz NNXKRVWETOWOTP-INIZCTEOSA-N 1 3 286.504 3.275 20 0 CGADHO CN1CCC[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505258 806424987 /nfs/dbraw/zinc/42/49/87/806424987.db2.gz DPEYGPWYZKICPY-WBMJQRKESA-N 1 3 280.362 3.026 20 0 CGADHO CN1CCC[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001254526797 806443202 /nfs/dbraw/zinc/44/32/02/806443202.db2.gz URQYEYRHOGNRLY-HRCADAONSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC001254526797 806443205 /nfs/dbraw/zinc/44/32/05/806443205.db2.gz URQYEYRHOGNRLY-HRCADAONSA-N 1 3 250.430 3.125 20 0 CGADHO CCN(CC)Cc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1F ZINC001162402789 806577818 /nfs/dbraw/zinc/57/78/18/806577818.db2.gz AHNJVTWGGBRGOS-GJZGRUSLSA-N 1 3 293.430 3.349 20 0 CGADHO CC1(C)CCC([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001255302793 806601703 /nfs/dbraw/zinc/60/17/03/806601703.db2.gz ZCZFDLZCODSDAR-UHFFFAOYSA-N 1 3 273.424 3.172 20 0 CGADHO CCCN1C[C@H]2C[NH+](C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001255307788 806602744 /nfs/dbraw/zinc/60/27/44/806602744.db2.gz GQPTULDNCFQXLV-GJZGRUSLSA-N 1 3 264.457 3.229 20 0 CGADHO COC1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001255452199 806642665 /nfs/dbraw/zinc/64/26/65/806642665.db2.gz HOIAOSHDAXTXBE-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000092899017 798960603 /nfs/dbraw/zinc/96/06/03/798960603.db2.gz QSADUEKWSCEQJD-GOEBONIOSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@H]1CC[C@@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092899017 798960607 /nfs/dbraw/zinc/96/06/07/798960607.db2.gz QSADUEKWSCEQJD-GOEBONIOSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NCC[C@@H]1CCC[N@@H+]1C ZINC001255727454 806721756 /nfs/dbraw/zinc/72/17/56/806721756.db2.gz DZGQQDBIXQGTSZ-HIFRSBDPSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NCC[C@@H]1CCC[N@H+]1C ZINC001255727454 806721760 /nfs/dbraw/zinc/72/17/60/806721760.db2.gz DZGQQDBIXQGTSZ-HIFRSBDPSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001255727454 806721763 /nfs/dbraw/zinc/72/17/63/806721763.db2.gz DZGQQDBIXQGTSZ-HIFRSBDPSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000385438248 799426424 /nfs/dbraw/zinc/42/64/24/799426424.db2.gz PICPGVSBHFDOGW-WBVHZDCISA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000385438248 799426426 /nfs/dbraw/zinc/42/64/26/799426426.db2.gz PICPGVSBHFDOGW-WBVHZDCISA-N 1 3 272.436 3.287 20 0 CGADHO COc1ccc2cc(CN3C[C@H](C[NH3+])CC[C@H]3C)ccc2c1 ZINC000387250881 799444022 /nfs/dbraw/zinc/44/40/22/799444022.db2.gz LYLMKVFEEFGCSW-ZBFHGGJFSA-N 1 3 298.430 3.408 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798259 806758440 /nfs/dbraw/zinc/75/84/40/806758440.db2.gz YVOJLYAIFWPRFO-QXAKKESOSA-N 1 3 286.463 3.200 20 0 CGADHO CCC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798259 806758447 /nfs/dbraw/zinc/75/84/47/806758447.db2.gz YVOJLYAIFWPRFO-QXAKKESOSA-N 1 3 286.463 3.200 20 0 CGADHO CO[C@@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000453131130 799633070 /nfs/dbraw/zinc/63/30/70/799633070.db2.gz ZEOXCMLSQFHWMA-JKSUJKDBSA-N 1 3 282.472 3.043 20 0 CGADHO CC[N@@H+](Cc1cc2c(s1)CCNC2)CC1CCC1 ZINC000687969670 799743572 /nfs/dbraw/zinc/74/35/72/799743572.db2.gz VQSSEUAUKFTJBF-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CC[N@H+](Cc1cc2c(s1)CCNC2)CC1CCC1 ZINC000687969670 799743575 /nfs/dbraw/zinc/74/35/75/799743575.db2.gz VQSSEUAUKFTJBF-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000693735291 799813752 /nfs/dbraw/zinc/81/37/52/799813752.db2.gz PHELIXFGYQFXNW-MTERUZRBSA-N 1 3 296.524 3.274 20 0 CGADHO Cc1ccc(CN(C)Cc2cc3c(s2)CC[NH2+]C3)s1 ZINC000693966470 799817386 /nfs/dbraw/zinc/81/73/86/799817386.db2.gz OYGIOWINPMGANE-UHFFFAOYSA-N 1 3 292.473 3.396 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)N(C)C ZINC000697889869 799850443 /nfs/dbraw/zinc/85/04/43/799850443.db2.gz NCEGXJBQCHMNAP-GRYCIOLGSA-N 1 3 266.351 3.037 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]Cc1cccc2ccncc21 ZINC001255948026 806794438 /nfs/dbraw/zinc/79/44/38/806794438.db2.gz CROSUACLQHNZBS-OAHLLOKOSA-N 1 3 285.435 3.445 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000709828617 800020330 /nfs/dbraw/zinc/02/03/30/800020330.db2.gz PGUHMBSNPZJQNZ-JCYILVPMSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000709828617 800020337 /nfs/dbraw/zinc/02/03/37/800020337.db2.gz PGUHMBSNPZJQNZ-JCYILVPMSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709992908 800026485 /nfs/dbraw/zinc/02/64/85/800026485.db2.gz RELJTSCJGWJTHV-PBHICJAKSA-N 1 3 292.854 3.347 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001255955768 806798858 /nfs/dbraw/zinc/79/88/58/806798858.db2.gz DKOYDQWOZYXBBB-ZIAGYGMSSA-N 1 3 276.415 3.474 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001255955768 806798859 /nfs/dbraw/zinc/79/88/59/806798859.db2.gz DKOYDQWOZYXBBB-ZIAGYGMSSA-N 1 3 276.415 3.474 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000715558524 800138237 /nfs/dbraw/zinc/13/82/37/800138237.db2.gz OOAUHKRULXFMHZ-OLZOCXBDSA-N 1 3 260.372 3.027 20 0 CGADHO CC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716717159 800178711 /nfs/dbraw/zinc/17/87/11/800178711.db2.gz IUJIGYJCZRAXGC-OHVWCFSRSA-N 1 3 284.447 3.428 20 0 CGADHO C/C=C/CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716691639 800178726 /nfs/dbraw/zinc/17/87/26/800178726.db2.gz IRUTYWDVODMNPL-PVQYNPGXSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C/CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691639 800178733 /nfs/dbraw/zinc/17/87/33/800178733.db2.gz IRUTYWDVODMNPL-PVQYNPGXSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C/C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716691639 800178736 /nfs/dbraw/zinc/17/87/36/800178736.db2.gz IRUTYWDVODMNPL-PVQYNPGXSA-N 1 3 270.420 3.205 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256110188 806823621 /nfs/dbraw/zinc/82/36/21/806823621.db2.gz WWRCZNQEESYMMS-HYVNUMGLSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256110188 806823627 /nfs/dbraw/zinc/82/36/27/806823627.db2.gz WWRCZNQEESYMMS-HYVNUMGLSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)CC[C@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001256367031 806871176 /nfs/dbraw/zinc/87/11/76/806871176.db2.gz VTFQGMBBHCOFLJ-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)CC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001256367031 806871183 /nfs/dbraw/zinc/87/11/83/806871183.db2.gz VTFQGMBBHCOFLJ-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CCN(CC)Cc1cccc(N(CCC[NH3+])C(C)C)c1F ZINC001164128945 806897467 /nfs/dbraw/zinc/89/74/67/806897467.db2.gz QCGURGIWWJKFSQ-UHFFFAOYSA-N 1 3 295.446 3.231 20 0 CGADHO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)cc(C)c1C ZINC001164210359 806916243 /nfs/dbraw/zinc/91/62/43/806916243.db2.gz BWVSGSYRCWGTQO-UHFFFAOYSA-N 1 3 289.467 3.050 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC001256558756 806915262 /nfs/dbraw/zinc/91/52/62/806915262.db2.gz WMQHSRLMJKJRII-UHFFFAOYSA-N 1 3 294.414 3.057 20 0 CGADHO CCC1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256569352 806917553 /nfs/dbraw/zinc/91/75/53/806917553.db2.gz BLTNUYKWMLDIRJ-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccccc2N2CCCC2)cc1 ZINC001118243047 802541443 /nfs/dbraw/zinc/54/14/43/802541443.db2.gz NMYHTHQWEORDFE-UHFFFAOYSA-N 1 3 295.430 3.035 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C1CC1 ZINC001275413608 808935493 /nfs/dbraw/zinc/93/54/93/808935493.db2.gz LEQNEIWZBYORQC-ALOPSCKCSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H](CC[NH2+]CCCC(F)(F)F)N1CCCCC1 ZINC001119954683 802714543 /nfs/dbraw/zinc/71/45/43/802714543.db2.gz PKNOONQCPXMOLL-GFCCVEGCSA-N 1 3 266.351 3.183 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c(F)cccc3F)C[C@H]2C1 ZINC001119988969 802721520 /nfs/dbraw/zinc/72/15/20/802721520.db2.gz MMAOCYYYJKGCNF-BFHYXJOUSA-N 1 3 294.389 3.127 20 0 CGADHO Cc1onc(-c2ccccc2)c1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205280539 812929066 /nfs/dbraw/zinc/92/90/66/812929066.db2.gz BUWDVAAAUCHGHW-GOSISDBHSA-N 1 3 299.418 3.353 20 0 CGADHO CCc1ccc(CN2CCC[C@](C)([NH3+])CC2)s1 ZINC001205280901 812929148 /nfs/dbraw/zinc/92/91/48/812929148.db2.gz LKGFYLOVMCUXAI-AWEZNQCLSA-N 1 3 252.427 3.014 20 0 CGADHO CN(C)c1ccnc(-c2ccc(OCCC[NH+](C)C)cc2)c1 ZINC001245335864 803702763 /nfs/dbraw/zinc/70/27/63/803702763.db2.gz ZISSUHQDDCHZOU-UHFFFAOYSA-N 1 3 299.418 3.145 20 0 CGADHO CC[C@H]1CC(NCCc2cccc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246076185 804114836 /nfs/dbraw/zinc/11/48/36/804114836.db2.gz YEMUKMKITGAFPN-HOTGVXAUSA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246076979 804115292 /nfs/dbraw/zinc/11/52/92/804115292.db2.gz QLXGROMYGNQGDE-VXGBXAGGSA-N 1 3 284.806 3.142 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246080058 804117244 /nfs/dbraw/zinc/11/72/44/804117244.db2.gz HMAPRLDBOUEOST-HUUCEWRRSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246082237 804119242 /nfs/dbraw/zinc/11/92/42/804119242.db2.gz OKRJJJBABZELOV-ZIAGYGMSSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246087518 804120585 /nfs/dbraw/zinc/12/05/85/804120585.db2.gz OUEFLQFIWTUVGB-IXDOHACOSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H]1NCC[C@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246100732 804134069 /nfs/dbraw/zinc/13/40/69/804134069.db2.gz HHIFMUSCPVKXRA-FIHXEBHWSA-N 1 3 284.447 3.153 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC001246110864 804143417 /nfs/dbraw/zinc/14/34/17/804143417.db2.gz MSBDRLUNDLIDMF-JYJNAYRXSA-N 1 3 292.492 3.453 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@H]1CCC[NH2+][C@@H]1C ZINC001246114812 804146964 /nfs/dbraw/zinc/14/69/64/804146964.db2.gz XSSQPVKIZINBJP-MGPQQGTHSA-N 1 3 296.455 3.284 20 0 CGADHO C[C@H]1CC[C@H](CNC2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC001246116731 804147774 /nfs/dbraw/zinc/14/77/74/804147774.db2.gz XPQMEOCVSCMKRP-YWPUVAFDSA-N 1 3 278.362 3.085 20 0 CGADHO c1ccc2c(c1)CCC21CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246132872 804157353 /nfs/dbraw/zinc/15/73/53/804157353.db2.gz MUNJUJMQNSXTJZ-CUYAVPTFSA-N 1 3 296.458 3.155 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)NC[C@H]1CCCC[NH2+]1 ZINC001246166773 804182108 /nfs/dbraw/zinc/18/21/08/804182108.db2.gz CBEWSCPEABPBHI-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001246175693 804190580 /nfs/dbraw/zinc/19/05/80/804190580.db2.gz MMOBNHRKSAEKGX-COLVAYQJSA-N 1 3 284.806 3.270 20 0 CGADHO C[C@]1(N[C@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192337 804199628 /nfs/dbraw/zinc/19/96/28/804199628.db2.gz ZTCQFUMFYBANLY-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@@]1(C)CCC[NH2+]C1 ZINC001246191327 804200835 /nfs/dbraw/zinc/20/08/35/804200835.db2.gz VTQMVXWKWRPZDZ-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246210941 804208605 /nfs/dbraw/zinc/20/86/05/804208605.db2.gz PVUQSKDPTQBWDT-BZUAXINKSA-N 1 3 264.457 3.467 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246219756 804215341 /nfs/dbraw/zinc/21/53/41/804215341.db2.gz CRZWFJSUVNBQEN-SOUVJXGZSA-N 1 3 258.425 3.273 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC001246240589 804232201 /nfs/dbraw/zinc/23/22/01/804232201.db2.gz RPCDWLGERGJIHU-HOTGVXAUSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255813 804240401 /nfs/dbraw/zinc/24/04/01/804240401.db2.gz CNAXNYBBLSFEKF-HOTGVXAUSA-N 1 3 280.843 3.393 20 0 CGADHO CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC001246290947 804262123 /nfs/dbraw/zinc/26/21/23/804262123.db2.gz PJRVVXBABDGNAS-HZPDHXFCSA-N 1 3 264.388 3.399 20 0 CGADHO CC(C)C[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1 ZINC001246294389 804264270 /nfs/dbraw/zinc/26/42/70/804264270.db2.gz WNTJHWJJIDXXIH-HZPDHXFCSA-N 1 3 264.388 3.255 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H](C)Cc1ccccc1Cl ZINC001246304509 804269799 /nfs/dbraw/zinc/26/97/99/804269799.db2.gz AGXJPTZAGDOTCY-GXTWGEPZSA-N 1 3 268.832 3.234 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246310821 804273697 /nfs/dbraw/zinc/27/36/97/804273697.db2.gz MYRIPDFMSWLTAL-UONOGXRCSA-N 1 3 280.843 3.160 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246322626 804281276 /nfs/dbraw/zinc/28/12/76/804281276.db2.gz BYBSRAQZFJIBSO-ODFNQHECSA-N 1 3 284.447 3.299 20 0 CGADHO Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC001246330264 804286745 /nfs/dbraw/zinc/28/67/45/804286745.db2.gz CDINUCJUKVAHKM-HIFRSBDPSA-N 1 3 266.454 3.049 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246333571 804287916 /nfs/dbraw/zinc/28/79/16/804287916.db2.gz KBMBYKOARJXUQT-TUVASFSCSA-N 1 3 252.446 3.321 20 0 CGADHO c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC34CCCC4)CCN2)cc1 ZINC001246337132 804291580 /nfs/dbraw/zinc/29/15/80/804291580.db2.gz WWYZQCCZQMYMDR-KZNAEPCWSA-N 1 3 284.447 3.272 20 0 CGADHO CCCCCCOC(=O)CCCCCN[C@H]1CCC[NH2+]C1 ZINC001246338899 804292501 /nfs/dbraw/zinc/29/25/01/804292501.db2.gz DEOBWSKTXFQBFS-INIZCTEOSA-N 1 3 298.471 3.012 20 0 CGADHO CCCCC1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246342980 804294224 /nfs/dbraw/zinc/29/42/24/804294224.db2.gz QHRJXFZESVAXPZ-GPANFISMSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@H]2CCC[NH2+]CC2)c1F ZINC001246343202 804294518 /nfs/dbraw/zinc/29/45/18/804294518.db2.gz JSMSKWORLDYTQC-LBPRGKRZSA-N 1 3 284.806 3.062 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCNCC1(C)C ZINC001246378218 804312265 /nfs/dbraw/zinc/31/22/65/804312265.db2.gz UIVJCYWXTLHKBS-IRXDYDNUSA-N 1 3 274.452 3.376 20 0 CGADHO Fc1ccccc1CC1([NH2+]C2CCCCC2)CCNCC1 ZINC001246379752 804314194 /nfs/dbraw/zinc/31/41/94/804314194.db2.gz BYCNPLKRHYWZCP-UHFFFAOYSA-N 1 3 290.426 3.413 20 0 CGADHO C[C@H](CC1CC1)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381031 804314732 /nfs/dbraw/zinc/31/47/32/804314732.db2.gz NLOUCTACDBOQHV-CQSZACIVSA-N 1 3 290.426 3.269 20 0 CGADHO c1ccc2c(c1)CCC([NH2+]C1(CC3CC3)CCNCC1)CC2 ZINC001246382699 804314781 /nfs/dbraw/zinc/31/47/81/804314781.db2.gz ZOGQKBWEIZBYOP-UHFFFAOYSA-N 1 3 298.474 3.446 20 0 CGADHO CC[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246392907 804319215 /nfs/dbraw/zinc/31/92/15/804319215.db2.gz OSXSXBWKVMBYRC-IAGOWNOFSA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246392907 804319224 /nfs/dbraw/zinc/31/92/24/804319224.db2.gz OSXSXBWKVMBYRC-IAGOWNOFSA-N 1 3 290.426 3.411 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246422169 804328522 /nfs/dbraw/zinc/32/85/22/804328522.db2.gz ROHNSBVVTBJUCR-HIFRSBDPSA-N 1 3 298.833 3.388 20 0 CGADHO Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246432980 804331100 /nfs/dbraw/zinc/33/11/00/804331100.db2.gz HGPPSVSKBYOTSJ-DOTOQJQBSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)COCC[C@@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246448365 804335137 /nfs/dbraw/zinc/33/51/37/804335137.db2.gz TUGBCTFFEIZCOX-MRXNPFEDSA-N 1 3 296.499 3.340 20 0 CGADHO CC[C@@H]1CC(N[C@H]2Cc3ccc(F)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246452696 804335678 /nfs/dbraw/zinc/33/56/78/804335678.db2.gz LTICBXBUOVAPJC-ZACQAIPSSA-N 1 3 290.426 3.192 20 0 CGADHO CC[C@@H]1C[C@H](N[C@H]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246452693 804336094 /nfs/dbraw/zinc/33/60/94/804336094.db2.gz LTICBXBUOVAPJC-XWTMOSNGSA-N 1 3 290.426 3.192 20 0 CGADHO CCCC[C@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246446560 804336961 /nfs/dbraw/zinc/33/69/61/804336961.db2.gz MAOIWELJAWEORP-AWEZNQCLSA-N 1 3 252.446 3.467 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCN1 ZINC001246456890 804337907 /nfs/dbraw/zinc/33/79/07/804337907.db2.gz PJFUDXRKCKVNPL-PBHICJAKSA-N 1 3 292.854 3.319 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246462879 804344777 /nfs/dbraw/zinc/34/47/77/804344777.db2.gz SWLLHHDABDBXNZ-IHRRRGAJSA-N 1 3 296.480 3.410 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246462879 804344786 /nfs/dbraw/zinc/34/47/86/804344786.db2.gz SWLLHHDABDBXNZ-IHRRRGAJSA-N 1 3 296.480 3.410 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001246466459 804346675 /nfs/dbraw/zinc/34/66/75/804346675.db2.gz VVWZKNNLERXLGA-OWCVQMPJSA-N 1 3 272.436 3.257 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001246473579 804350996 /nfs/dbraw/zinc/35/09/96/804350996.db2.gz KLGUXZJHWJEFTB-ZSYWTGECSA-N 1 3 284.447 3.007 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@H]2C[C@@H](NC)C2)CC1 ZINC001246489611 804357546 /nfs/dbraw/zinc/35/75/46/804357546.db2.gz ALJASMKAENRUPI-ZMYVRHLSSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246493595 804359103 /nfs/dbraw/zinc/35/91/03/804359103.db2.gz IJCGCPHTHXVVRL-WMLDXEAASA-N 1 3 291.483 3.243 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246495616 804359973 /nfs/dbraw/zinc/35/99/73/804359973.db2.gz KSVJSUOOGIPRCK-NXHRZFHOSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246496391 804360520 /nfs/dbraw/zinc/36/05/20/804360520.db2.gz TWHCNVIZQDMRAS-XPABHHOTSA-N 1 3 252.446 3.177 20 0 CGADHO CCCCC[C@H](CC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246496718 804360943 /nfs/dbraw/zinc/36/09/43/804360943.db2.gz VPFUIEDNFFVEOU-KRWDZBQOSA-N 1 3 291.483 3.387 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246513888 804369482 /nfs/dbraw/zinc/36/94/82/804369482.db2.gz FUPNPNQRGPAXCE-APHBMKBZSA-N 1 3 252.446 3.179 20 0 CGADHO CCCCCC[C@H](C)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246515092 804370271 /nfs/dbraw/zinc/37/02/71/804370271.db2.gz JLDNUGKYZJLQBS-XJKSGUPXSA-N 1 3 252.446 3.323 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+][C@H](C(C)C)C2CNC2)cc1 ZINC001246517942 804371085 /nfs/dbraw/zinc/37/10/85/804371085.db2.gz NVZXLVLLKBQFEK-KBXCAEBGSA-N 1 3 274.452 3.014 20 0 CGADHO CCCC1CCC([NH2+][C@H](C(C)C)C2CNC2)CC1 ZINC001246519363 804374422 /nfs/dbraw/zinc/37/44/22/804374422.db2.gz SDQCRZDUFIVLIZ-AVVWSFFYSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[N@H+](Cc1ccccc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246521139 804377057 /nfs/dbraw/zinc/37/70/57/804377057.db2.gz WPOOYDMCKQFHMS-HUUCEWRRSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)[N@@H+](Cc1ccccc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246521139 804377065 /nfs/dbraw/zinc/37/70/65/804377065.db2.gz WPOOYDMCKQFHMS-HUUCEWRRSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)N(Cc1ccccc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246521139 804377072 /nfs/dbraw/zinc/37/70/72/804377072.db2.gz WPOOYDMCKQFHMS-HUUCEWRRSA-N 1 3 260.425 3.426 20 0 CGADHO C[N@H+](C1CCCCC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246530360 804380344 /nfs/dbraw/zinc/38/03/44/804380344.db2.gz LNOJERRDRLYFDM-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO C[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246530360 804380352 /nfs/dbraw/zinc/38/03/52/804380352.db2.gz LNOJERRDRLYFDM-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO CC[N@H+](C1CCCCC1)[C@H]1CCN[C@H](C(C)C)C1 ZINC001246533581 804383031 /nfs/dbraw/zinc/38/30/31/804383031.db2.gz VSOJGCWYBRFNDD-HOTGVXAUSA-N 1 3 252.446 3.418 20 0 CGADHO CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](C(C)C)C1 ZINC001246533581 804383039 /nfs/dbraw/zinc/38/30/39/804383039.db2.gz VSOJGCWYBRFNDD-HOTGVXAUSA-N 1 3 252.446 3.418 20 0 CGADHO N[C@@H]1CCC[N@@H+](C2CCC3(CCCC3)CC2)CC1 ZINC001246538627 804387893 /nfs/dbraw/zinc/38/78/93/804387893.db2.gz DMBYKDBSEYEOCQ-CQSZACIVSA-N 1 3 250.430 3.303 20 0 CGADHO N[C@@H]1CCC[N@H+](C2CCC3(CCCC3)CC2)CC1 ZINC001246538627 804387902 /nfs/dbraw/zinc/38/79/02/804387902.db2.gz DMBYKDBSEYEOCQ-CQSZACIVSA-N 1 3 250.430 3.303 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@](C)(N)C2)cc1 ZINC001246545051 804394413 /nfs/dbraw/zinc/39/44/13/804394413.db2.gz WSMLEPXNZYFXEJ-DOTOQJQBSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@](C)(N)C2)cc1 ZINC001246545051 804394421 /nfs/dbraw/zinc/39/44/21/804394421.db2.gz WSMLEPXNZYFXEJ-DOTOQJQBSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CCC[C@H]([NH3+])CC2)cc1 ZINC001246548402 804397986 /nfs/dbraw/zinc/39/79/86/804397986.db2.gz TXIYXNVDEIPWFT-GJZGRUSLSA-N 1 3 278.465 3.289 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246549101 804399178 /nfs/dbraw/zinc/39/91/78/804399178.db2.gz HAPJEUANMIZYOW-PMPSAXMXSA-N 1 3 292.492 3.392 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C)C2)C[C@H](CC)N1 ZINC001246554934 804404760 /nfs/dbraw/zinc/40/47/60/804404760.db2.gz CZXWODVEVOEIEM-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C)C2)C[C@H](CC)N1 ZINC001246554934 804404765 /nfs/dbraw/zinc/40/47/65/804404765.db2.gz CZXWODVEVOEIEM-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@H](CN)C2)CC(C)(C)C1 ZINC001246556624 804406235 /nfs/dbraw/zinc/40/62/35/804406235.db2.gz JWSYRBBDNNDTRQ-JHJVBQTASA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@H](CN)C2)CC(C)(C)C1 ZINC001246556624 804406239 /nfs/dbraw/zinc/40/62/39/804406239.db2.gz JWSYRBBDNNDTRQ-JHJVBQTASA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1CCCC[N@@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246557382 804406625 /nfs/dbraw/zinc/40/66/25/804406625.db2.gz LKUVRYIUBCOYHM-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCCC[N@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246557382 804406629 /nfs/dbraw/zinc/40/66/29/804406629.db2.gz LKUVRYIUBCOYHM-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@]1(F)CCN(C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1F ZINC001246590002 804431169 /nfs/dbraw/zinc/43/11/69/804431169.db2.gz RFWIENFUYYBRBM-LSDHHAIUSA-N 1 3 286.410 3.071 20 0 CGADHO C[C@H]1CC([N@@H+]2CCC[C@]23CCCNC3)C[C@H](C)C1 ZINC001246606246 804441351 /nfs/dbraw/zinc/44/13/51/804441351.db2.gz DJDFKLRVHHASLF-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1CC([N@H+]2CCC[C@]23CCCNC3)C[C@H](C)C1 ZINC001246606246 804441354 /nfs/dbraw/zinc/44/13/54/804441354.db2.gz DJDFKLRVHHASLF-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO CCCCC[C@@H](CC)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246613258 804446450 /nfs/dbraw/zinc/44/64/50/804446450.db2.gz XUOUTZCDAVSBDB-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[C@@H](CC)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246613258 804446453 /nfs/dbraw/zinc/44/64/53/804446453.db2.gz XUOUTZCDAVSBDB-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246622256 804455499 /nfs/dbraw/zinc/45/54/99/804455499.db2.gz QIQUYVADRXSXOO-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO CCC1CCC([N@@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246625720 804457115 /nfs/dbraw/zinc/45/71/15/804457115.db2.gz UCLNUHBZABLBCT-UYSNPLJNSA-N 1 3 250.430 3.173 20 0 CGADHO CCC1CCC([N@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246625720 804457119 /nfs/dbraw/zinc/45/71/19/804457119.db2.gz UCLNUHBZABLBCT-UYSNPLJNSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC3(CCCc4ccccc43)CC2)CCN1 ZINC001246628212 804459061 /nfs/dbraw/zinc/45/90/61/804459061.db2.gz WWSCZMRERICLJP-WMZOPIPTSA-N 1 3 298.474 3.497 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246639368 804467773 /nfs/dbraw/zinc/46/77/73/804467773.db2.gz QQSSQMFKIZMNRF-MSOLQXFVSA-N 1 3 296.499 3.293 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246639368 804467777 /nfs/dbraw/zinc/46/77/77/804467777.db2.gz QQSSQMFKIZMNRF-MSOLQXFVSA-N 1 3 296.499 3.293 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246644095 804471990 /nfs/dbraw/zinc/47/19/90/804471990.db2.gz VKKIDUKXVWJOGL-UONOGXRCSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246644095 804471991 /nfs/dbraw/zinc/47/19/91/804471991.db2.gz VKKIDUKXVWJOGL-UONOGXRCSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc(CC2CCC(N3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246645315 804472099 /nfs/dbraw/zinc/47/20/99/804472099.db2.gz UBSDMHUJPHYLTP-WZOJCFFYSA-N 1 3 284.447 3.224 20 0 CGADHO C[C@H](Cc1ccccc1F)N1CCCCC12CC[NH2+]CC2 ZINC001246645932 804473836 /nfs/dbraw/zinc/47/38/36/804473836.db2.gz FATCXXQHDQGTCX-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCCCC12CCNCC2 ZINC001246645932 804473840 /nfs/dbraw/zinc/47/38/40/804473840.db2.gz FATCXXQHDQGTCX-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@H+]1CCCCC12CCNCC2 ZINC001246645932 804473843 /nfs/dbraw/zinc/47/38/43/804473843.db2.gz FATCXXQHDQGTCX-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCCC12CCNCC2 ZINC001246648833 804477845 /nfs/dbraw/zinc/47/78/45/804477845.db2.gz ZWXHDSZCMFCWFX-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CCCC12CCNCC2 ZINC001246648833 804477850 /nfs/dbraw/zinc/47/78/50/804477850.db2.gz ZWXHDSZCMFCWFX-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H](CC(C)C)N1CCC[C@]12CC[NH2+]C2 ZINC001246650264 804479011 /nfs/dbraw/zinc/47/90/11/804479011.db2.gz SHEDVBAKNQTFLE-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](CC(C)C)N1CCC[C@@]12CC[NH2+]C2 ZINC001246650263 804479168 /nfs/dbraw/zinc/47/91/68/804479168.db2.gz SHEDVBAKNQTFLE-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC[C@@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659474 804483446 /nfs/dbraw/zinc/48/34/46/804483446.db2.gz XKYNHUFCVSZPHA-MJBXVCDLSA-N 1 3 292.389 3.429 20 0 CGADHO FC(F)(F)[C@]12CNC[C@H]1C[N@@H+](C1CCCCCCC1)C2 ZINC001246659231 804483886 /nfs/dbraw/zinc/48/38/86/804483886.db2.gz WPJSQRWXQPVDPX-JSGCOSHPSA-N 1 3 290.373 3.183 20 0 CGADHO FC(F)(F)[C@]12CNC[C@H]1C[N@H+](C1CCCCCCC1)C2 ZINC001246659231 804483889 /nfs/dbraw/zinc/48/38/89/804483889.db2.gz WPJSQRWXQPVDPX-JSGCOSHPSA-N 1 3 290.373 3.183 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N(C)CCC[NH3+] ZINC001246680507 804494348 /nfs/dbraw/zinc/49/43/48/804494348.db2.gz JXIFWASAKDJOQI-SNVBAGLBSA-N 1 3 290.785 3.220 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+](C)CCCN ZINC001246680507 804494351 /nfs/dbraw/zinc/49/43/51/804494351.db2.gz JXIFWASAKDJOQI-SNVBAGLBSA-N 1 3 290.785 3.220 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)CCCN ZINC001246680507 804494353 /nfs/dbraw/zinc/49/43/53/804494353.db2.gz JXIFWASAKDJOQI-SNVBAGLBSA-N 1 3 290.785 3.220 20 0 CGADHO CCCC1CCC([N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246693740 804499718 /nfs/dbraw/zinc/49/97/18/804499718.db2.gz QKVWOOPUJJQJIY-SJJHQCBESA-N 1 3 282.447 3.369 20 0 CGADHO CCCC1CCC([N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246693740 804499722 /nfs/dbraw/zinc/49/97/22/804499722.db2.gz QKVWOOPUJJQJIY-SJJHQCBESA-N 1 3 282.447 3.369 20 0 CGADHO C[C@@H]1CCCCC[N@@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246767932 804500947 /nfs/dbraw/zinc/50/09/47/804500947.db2.gz DJLISHBJDAFMMI-ILXRZTDVSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CCCCC[N@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246767932 804500955 /nfs/dbraw/zinc/50/09/55/804500955.db2.gz DJLISHBJDAFMMI-ILXRZTDVSA-N 1 3 252.446 3.418 20 0 CGADHO c1ccc([C@@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246773326 804504396 /nfs/dbraw/zinc/50/43/96/804504396.db2.gz APSJZWQIGSRARI-HRBLRVMOSA-N 1 3 270.420 3.149 20 0 CGADHO COc1ccc(C2CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246784236 804509277 /nfs/dbraw/zinc/50/92/77/804509277.db2.gz FNZLZLGIHBQDQO-YOEHRIQHSA-N 1 3 288.435 3.015 20 0 CGADHO COc1ccc(C2CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC001246784236 804509282 /nfs/dbraw/zinc/50/92/82/804509282.db2.gz FNZLZLGIHBQDQO-YOEHRIQHSA-N 1 3 288.435 3.015 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246791697 804515033 /nfs/dbraw/zinc/51/50/33/804515033.db2.gz LRYLKZSXDJALFU-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246791697 804515037 /nfs/dbraw/zinc/51/50/37/804515037.db2.gz LRYLKZSXDJALFU-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@H](Cc1ccccc1)N1CCCC2(C[NH2+]C2)C1 ZINC001246791697 804515040 /nfs/dbraw/zinc/51/50/40/804515040.db2.gz LRYLKZSXDJALFU-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246793343 804517943 /nfs/dbraw/zinc/51/79/43/804517943.db2.gz VBZJBCOQPLGYFI-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CCCC2(CNC2)C1 ZINC001246793343 804517946 /nfs/dbraw/zinc/51/79/46/804517946.db2.gz VBZJBCOQPLGYFI-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1CCC[N@@H+]1[C@H]1CCNC2(CCCCC2)C1 ZINC001246803487 804523100 /nfs/dbraw/zinc/52/31/00/804523100.db2.gz KZGQQULDRWWSCQ-CABCVRRESA-N 1 3 250.430 3.316 20 0 CGADHO CC[C@@H]1CCC[N@H+]1[C@H]1CCNC2(CCCCC2)C1 ZINC001246803487 804523106 /nfs/dbraw/zinc/52/31/06/804523106.db2.gz KZGQQULDRWWSCQ-CABCVRRESA-N 1 3 250.430 3.316 20 0 CGADHO COc1cccc([C@H]2CCCCN2[C@H]2CCC[NH2+]CC2)c1 ZINC001246807642 804525258 /nfs/dbraw/zinc/52/52/58/804525258.db2.gz OOBXFENHNJFKGV-FUHWJXTLSA-N 1 3 288.435 3.364 20 0 CGADHO C[N@H+](CCc1cccc(Cl)c1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246820539 804535662 /nfs/dbraw/zinc/53/56/62/804535662.db2.gz GVDFRYAFISKYPW-FVQHAEBGSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@@H+](CCc1cccc(Cl)c1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246820539 804535664 /nfs/dbraw/zinc/53/56/64/804535664.db2.gz GVDFRYAFISKYPW-FVQHAEBGSA-N 1 3 292.854 3.487 20 0 CGADHO CC[C@@H]1CC([N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](CC)N1 ZINC001246843403 804551745 /nfs/dbraw/zinc/55/17/45/804551745.db2.gz WALPZKQSMSITMD-LXTVHRRPSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1CC([N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](CC)N1 ZINC001246843403 804551749 /nfs/dbraw/zinc/55/17/49/804551749.db2.gz WALPZKQSMSITMD-LXTVHRRPSA-N 1 3 252.446 3.274 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@H]2CCN)cc1 ZINC001246843637 804552813 /nfs/dbraw/zinc/55/28/13/804552813.db2.gz GVHJVURVPBXBEK-RDJZCZTQSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H]2CCN)cc1 ZINC001246843637 804552816 /nfs/dbraw/zinc/55/28/16/804552816.db2.gz GVHJVURVPBXBEK-RDJZCZTQSA-N 1 3 260.425 3.129 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865302 804568854 /nfs/dbraw/zinc/56/88/54/804568854.db2.gz SWXKUPJMZYJPMQ-OKZBNKHCSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865302 804568857 /nfs/dbraw/zinc/56/88/57/804568857.db2.gz SWXKUPJMZYJPMQ-OKZBNKHCSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1C[C@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865302 804568861 /nfs/dbraw/zinc/56/88/61/804568861.db2.gz SWXKUPJMZYJPMQ-OKZBNKHCSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901358 804588630 /nfs/dbraw/zinc/58/86/30/804588630.db2.gz MNDHCVIKQISGAR-PMUMKWKESA-N 1 3 283.419 3.445 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901358 804588632 /nfs/dbraw/zinc/58/86/32/804588632.db2.gz MNDHCVIKQISGAR-PMUMKWKESA-N 1 3 283.419 3.445 20 0 CGADHO CCCCCC[C@@H](CCCC)[N@@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246934327 804606569 /nfs/dbraw/zinc/60/65/69/804606569.db2.gz UGSNKGHPUWIAMV-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@@H](CCCC)[N@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246934327 804606572 /nfs/dbraw/zinc/60/65/72/804606572.db2.gz UGSNKGHPUWIAMV-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1cccc(Cl)c1 ZINC001246936301 804608378 /nfs/dbraw/zinc/60/83/78/804608378.db2.gz IQYAQPHOYWIIKR-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246944146 804613017 /nfs/dbraw/zinc/61/30/17/804613017.db2.gz UINBFIFKRLBYRX-HIFRSBDPSA-N 1 3 292.854 3.129 20 0 CGADHO CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC2(CCCCC2)C1 ZINC001246948378 804613623 /nfs/dbraw/zinc/61/36/23/804613623.db2.gz PRINSGGJLPHSPX-CAOSSQGBSA-N 1 3 262.441 3.029 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccccc1F ZINC001246977653 804625803 /nfs/dbraw/zinc/62/58/03/804625803.db2.gz SRVGSQCELNNYHK-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO CC[C@@H]1C[C@H](N2CCC3(Cc4ccccc4N3)CC2)CC[NH2+]1 ZINC001247005390 804636938 /nfs/dbraw/zinc/63/69/38/804636938.db2.gz YHJYLLIBLYYZSA-IAGOWNOFSA-N 1 3 299.462 3.020 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005530 804636977 /nfs/dbraw/zinc/63/69/77/804636977.db2.gz SDRJQBIBVYVWCI-SQNIBIBYSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005530 804636980 /nfs/dbraw/zinc/63/69/80/804636980.db2.gz SDRJQBIBVYVWCI-SQNIBIBYSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C[C@H](C)O1 ZINC001257080157 807046125 /nfs/dbraw/zinc/04/61/25/807046125.db2.gz HYZNKVMPWXFEEL-BTTYYORXSA-N 1 3 282.472 3.183 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2CCCSC2)CC1(C)C ZINC001257660962 807205324 /nfs/dbraw/zinc/20/53/24/807205324.db2.gz FFRUWWGVJNXRAV-GFCCVEGCSA-N 1 3 270.486 3.123 20 0 CGADHO C[C@H](CN)C[N@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257826451 807222556 /nfs/dbraw/zinc/22/25/56/807222556.db2.gz UUSARDNHQSBFBK-FAEJEUNOSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@H](CN)C[N@@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257826451 807222561 /nfs/dbraw/zinc/22/25/61/807222561.db2.gz UUSARDNHQSBFBK-FAEJEUNOSA-N 1 3 290.451 3.041 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H]2CCc3sccc32)CC1 ZINC001258008811 807264052 /nfs/dbraw/zinc/26/40/52/807264052.db2.gz GEJNQMNTHYSYTM-OAHLLOKOSA-N 1 3 278.465 3.445 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001258005353 807264528 /nfs/dbraw/zinc/26/45/28/807264528.db2.gz PHGQTRNZLPPWRL-UHFFFAOYSA-N 1 3 287.407 3.038 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC001258006018 807265008 /nfs/dbraw/zinc/26/50/08/807265008.db2.gz COPQJDRDUGBBAA-SFHVURJKSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)C[NH+]1CCC(N2CC[C@@H](C)C(F)(F)CC2)CC1 ZINC001258012085 807266725 /nfs/dbraw/zinc/26/67/25/807266725.db2.gz RZKJDJNOVHXRIF-CQSZACIVSA-N 1 3 288.426 3.474 20 0 CGADHO CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CC1 ZINC001167961294 807288662 /nfs/dbraw/zinc/28/86/62/807288662.db2.gz HNBBVICEQYRASG-MQVJKMGUSA-N 1 3 262.441 3.170 20 0 CGADHO CC[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995326 807295468 /nfs/dbraw/zinc/29/54/68/807295468.db2.gz ARJCARCKVPLMBT-PMRDEQMMSA-N 1 3 262.441 3.266 20 0 CGADHO CC[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995326 807295469 /nfs/dbraw/zinc/29/54/69/807295469.db2.gz ARJCARCKVPLMBT-PMRDEQMMSA-N 1 3 262.441 3.266 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H]3C[C@H](C)C[C@H](C)C3)C[C@@H]2C1 ZINC001258171273 807338555 /nfs/dbraw/zinc/33/85/55/807338555.db2.gz PRKMRBYIDDJSNZ-UYVKZUBASA-N 1 3 264.457 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3C[C@H](C)C[C@H](C)C3)C[C@@H]2C1 ZINC001258171273 807338562 /nfs/dbraw/zinc/33/85/62/807338562.db2.gz PRKMRBYIDDJSNZ-UYVKZUBASA-N 1 3 264.457 3.085 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168351292 807390189 /nfs/dbraw/zinc/39/01/89/807390189.db2.gz PMGDTWKCMVSCGU-ZDUSSCGKSA-N 1 3 298.434 3.103 20 0 CGADHO C(C1CC1)N1CCC([NH+]2CCC3(CCC3)CC2)CC1 ZINC001168373770 807396073 /nfs/dbraw/zinc/39/60/73/807396073.db2.gz UHXWKSAOGPLSDO-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001258337759 807417068 /nfs/dbraw/zinc/41/70/68/807417068.db2.gz OPYGIQZSLDAERF-AWEZNQCLSA-N 1 3 296.524 3.324 20 0 CGADHO Cc1c2[nH]cnc2ccc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168549139 807442784 /nfs/dbraw/zinc/44/27/84/807442784.db2.gz KROPSWVIGLUMGH-ZDUSSCGKSA-N 1 3 292.386 3.455 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258664415 807532180 /nfs/dbraw/zinc/53/21/80/807532180.db2.gz JTUAOTUTTSMRJI-GOSISDBHSA-N 1 3 297.531 3.351 20 0 CGADHO Cc1cc(F)cc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169090899 807571337 /nfs/dbraw/zinc/57/13/37/807571337.db2.gz NMJJCAWFRWBETP-PHZGNYQRSA-N 1 3 276.399 3.157 20 0 CGADHO Cc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096891 807573652 /nfs/dbraw/zinc/57/36/52/807573652.db2.gz ZKLXWPSXODLYQK-PHZGNYQRSA-N 1 3 278.827 3.363 20 0 CGADHO Cc1ccccc1C(C)(C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169118733 807583091 /nfs/dbraw/zinc/58/30/91/807583091.db2.gz MLHQEDXFTDQRCC-MUJYYYPQSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccccc1C(C)(C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118733 807583095 /nfs/dbraw/zinc/58/30/95/807583095.db2.gz MLHQEDXFTDQRCC-MUJYYYPQSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc(CCN(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169143364 807590732 /nfs/dbraw/zinc/59/07/32/807590732.db2.gz FKJKXTURGZOHHM-PIIMJCKOSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1cccc(CCN(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169143364 807590737 /nfs/dbraw/zinc/59/07/37/807590737.db2.gz FKJKXTURGZOHHM-PIIMJCKOSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1ccc(CCN(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145568 807592735 /nfs/dbraw/zinc/59/27/35/807592735.db2.gz NAFRSGWXYLHKPO-BCDXTJNWSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1ccc(CCN(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145568 807592738 /nfs/dbraw/zinc/59/27/38/807592738.db2.gz NAFRSGWXYLHKPO-BCDXTJNWSA-N 1 3 272.436 3.095 20 0 CGADHO COc1ccc([C@@H](C)N(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145927 807592810 /nfs/dbraw/zinc/59/28/10/807592810.db2.gz NIPAJVMDSHSRFC-SIXLDLHFSA-N 1 3 288.435 3.313 20 0 CGADHO COc1ccc([C@@H](C)N(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145927 807592815 /nfs/dbraw/zinc/59/28/15/807592815.db2.gz NIPAJVMDSHSRFC-SIXLDLHFSA-N 1 3 288.435 3.313 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001258814143 807632106 /nfs/dbraw/zinc/63/21/06/807632106.db2.gz NXXZHLNREMYPPP-QAPCUYQASA-N 1 3 294.483 3.046 20 0 CGADHO Cc1c2[nH]cnc2ccc1NC(C)(C)CC[NH+](C)C ZINC001169717511 807696419 /nfs/dbraw/zinc/69/64/19/807696419.db2.gz JZOWXSSACQUKEK-UHFFFAOYSA-N 1 3 260.385 3.014 20 0 CGADHO C[NH+](C)CCC(C)(C)Nc1ccncc1-c1ccccc1 ZINC001169717913 807697317 /nfs/dbraw/zinc/69/73/17/807697317.db2.gz HHNRJJARHNEUTF-UHFFFAOYSA-N 1 3 283.419 3.313 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090503 807755301 /nfs/dbraw/zinc/75/53/01/807755301.db2.gz LVDJSYYDHXJEBG-YESZJQIVSA-N 1 3 266.473 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090503 807755303 /nfs/dbraw/zinc/75/53/03/807755303.db2.gz LVDJSYYDHXJEBG-YESZJQIVSA-N 1 3 266.473 3.475 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CCO1 ZINC001170183430 807787915 /nfs/dbraw/zinc/78/79/15/807787915.db2.gz SASPOBOGRIERST-RYQLBKOJSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)CN)CCO1 ZINC001170183430 807787916 /nfs/dbraw/zinc/78/79/16/807787916.db2.gz SASPOBOGRIERST-RYQLBKOJSA-N 1 3 290.451 3.041 20 0 CGADHO CCC[N@H+](CCCN)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170897201 807928574 /nfs/dbraw/zinc/92/85/74/807928574.db2.gz MJQPOFNLHFWOOB-CQSZACIVSA-N 1 3 280.843 3.258 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170897201 807928577 /nfs/dbraw/zinc/92/85/77/807928577.db2.gz MJQPOFNLHFWOOB-CQSZACIVSA-N 1 3 280.843 3.258 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCc4c(C)cccc4C3)C[C@H]2C1 ZINC001171579888 808104103 /nfs/dbraw/zinc/10/41/03/808104103.db2.gz SBVKAIBKNNXGDO-QRVBRYPASA-N 1 3 298.474 3.126 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2CC23CCC3)CC1(C)C ZINC001171627163 808107556 /nfs/dbraw/zinc/10/75/56/808107556.db2.gz MTHFJXLELIYTQE-ZDUSSCGKSA-N 1 3 250.430 3.170 20 0 CGADHO CC1(C)C[C@@H](N2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171978182 808162559 /nfs/dbraw/zinc/16/25/59/808162559.db2.gz XBPDFRBWIGYPAM-KRWDZBQOSA-N 1 3 270.420 3.301 20 0 CGADHO CC1(C)C[C@@H](N2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978182 808162566 /nfs/dbraw/zinc/16/25/66/808162566.db2.gz XBPDFRBWIGYPAM-KRWDZBQOSA-N 1 3 270.420 3.301 20 0 CGADHO Cc1ncccc1[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108499 808175680 /nfs/dbraw/zinc/17/56/80/808175680.db2.gz AQCZHYGAJPYFOF-VXIBKDFQSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1ncccc1[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108499 808175685 /nfs/dbraw/zinc/17/56/85/808175685.db2.gz AQCZHYGAJPYFOF-VXIBKDFQSA-N 1 3 299.462 3.446 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3cccnc31)C2 ZINC001172107454 808175820 /nfs/dbraw/zinc/17/58/20/808175820.db2.gz XUHFWTGZYGXDDR-WCXIOVBPSA-N 1 3 285.435 3.064 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3cccnc31)C2 ZINC001172107453 808176350 /nfs/dbraw/zinc/17/63/50/808176350.db2.gz XUHFWTGZYGXDDR-NXOAAHMSSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3cc(F)ccc31)C2 ZINC001172113006 808177870 /nfs/dbraw/zinc/17/78/70/808177870.db2.gz BRICJSVDOKUHPT-CUSZFKRNSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3cc(F)ccc31)C2 ZINC001172113006 808177875 /nfs/dbraw/zinc/17/78/75/808177875.db2.gz BRICJSVDOKUHPT-CUSZFKRNSA-N 1 3 288.410 3.418 20 0 CGADHO COCCC[NH+]1CCC(NC(C)(C)c2ccccc2)CC1 ZINC001172244095 808207883 /nfs/dbraw/zinc/20/78/83/808207883.db2.gz ZMDNZGLBBUMSBV-UHFFFAOYSA-N 1 3 290.451 3.012 20 0 CGADHO CC[C@H](CC(C)C)[NH+]1CCN(c2ccncc2)CC1 ZINC001172402771 808292169 /nfs/dbraw/zinc/29/21/69/808292169.db2.gz VJNINSZZWUBAIT-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](CC)CC(C)C)C[C@H]2C1 ZINC001172404896 808293404 /nfs/dbraw/zinc/29/34/04/808293404.db2.gz NRUDJOIYZNRWAV-OAGGEKHMSA-N 1 3 252.446 3.085 20 0 CGADHO CCOCC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172413268 808298965 /nfs/dbraw/zinc/29/89/65/808298965.db2.gz AEWBIIPQIARODP-MRXNPFEDSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)OCC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001172433052 808309493 /nfs/dbraw/zinc/30/94/93/808309493.db2.gz FQVPOHYHUDOGNU-OAHLLOKOSA-N 1 3 270.461 3.174 20 0 CGADHO CC(C)OCC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001172433052 808309500 /nfs/dbraw/zinc/30/95/00/808309500.db2.gz FQVPOHYHUDOGNU-OAHLLOKOSA-N 1 3 270.461 3.174 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H]1CCCN1C ZINC001172855829 808463565 /nfs/dbraw/zinc/46/35/65/808463565.db2.gz HZHSKMLFKPCNTH-IUODEOHRSA-N 1 3 298.833 3.484 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001173246143 808553742 /nfs/dbraw/zinc/55/37/42/808553742.db2.gz WEXMQNYLFFBHJB-QAPCUYQASA-N 1 3 274.452 3.254 20 0 CGADHO CCSC[C@@H](C)[NH2+]C1CCN(C(CC)CC)CC1 ZINC001173298596 808598100 /nfs/dbraw/zinc/59/81/00/808598100.db2.gz NUWWIDCYAZCSBR-CYBMUJFWSA-N 1 3 272.502 3.371 20 0 CGADHO CCSC[C@@H](C)NC1CC[NH+](C(CC)CC)CC1 ZINC001173298596 808598104 /nfs/dbraw/zinc/59/81/04/808598104.db2.gz NUWWIDCYAZCSBR-CYBMUJFWSA-N 1 3 272.502 3.371 20 0 CGADHO COc1ccccc1C[N@@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001275253231 808924215 /nfs/dbraw/zinc/92/42/15/808924215.db2.gz YNEIFBHQJIQJOJ-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO COc1ccccc1C[N@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001275253231 808924222 /nfs/dbraw/zinc/92/42/22/808924222.db2.gz YNEIFBHQJIQJOJ-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001275841493 808970586 /nfs/dbraw/zinc/97/05/86/808970586.db2.gz VJJHHMSKZOPSNV-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001275841493 808970589 /nfs/dbraw/zinc/97/05/89/808970589.db2.gz VJJHHMSKZOPSNV-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO c1c[nH]c(C[NH2+][C@@]23CC[C@@](NCc4cc[nH]c4)(C2)CCC3)c1 ZINC001276101875 808987208 /nfs/dbraw/zinc/98/72/08/808987208.db2.gz OLGIDTMCAVICAC-MSOLQXFVSA-N 1 3 298.434 3.068 20 0 CGADHO Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001276170111 808991186 /nfs/dbraw/zinc/99/11/86/808991186.db2.gz OMGXIRZPECDMNN-GOSISDBHSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001276170111 808991192 /nfs/dbraw/zinc/99/11/92/808991192.db2.gz OMGXIRZPECDMNN-GOSISDBHSA-N 1 3 290.426 3.442 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001174703967 809137855 /nfs/dbraw/zinc/13/78/55/809137855.db2.gz ASKPNVPBYGZXIX-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001174703967 809137858 /nfs/dbraw/zinc/13/78/58/809137858.db2.gz ASKPNVPBYGZXIX-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC001175399354 809391712 /nfs/dbraw/zinc/39/17/12/809391712.db2.gz KNMPGJUKZNUHKI-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[NH2+]CC1CCCCC1)N1CCCCC1 ZINC001178462346 809868700 /nfs/dbraw/zinc/86/87/00/809868700.db2.gz BYGPXGKOWJDIJF-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC001184418664 810199054 /nfs/dbraw/zinc/19/90/54/810199054.db2.gz STGXHJJUSIYRIS-UONOGXRCSA-N 1 3 272.502 3.228 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001201442208 811850598 /nfs/dbraw/zinc/85/05/98/811850598.db2.gz UVHSDMXTVUJLOT-MSOLQXFVSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001201442208 811850607 /nfs/dbraw/zinc/85/06/07/811850607.db2.gz UVHSDMXTVUJLOT-MSOLQXFVSA-N 1 3 286.463 3.486 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(CCCc2ccccc2)CC1 ZINC001201671390 811935218 /nfs/dbraw/zinc/93/52/18/811935218.db2.gz IIAZVAMEFALNSH-UHFFFAOYSA-N 1 3 295.430 3.145 20 0 CGADHO Cc1cc(C[NH2+]CC[C@H](C)N(C)C)ccc1Cl ZINC001203269827 812286102 /nfs/dbraw/zinc/28/61/02/812286102.db2.gz DVUDRCRAYDERJA-LBPRGKRZSA-N 1 3 254.805 3.078 20 0 CGADHO C[NH+]1CCC(C2CCN(Cc3ccccc3F)CC2)CC1 ZINC001203352703 812318593 /nfs/dbraw/zinc/31/85/93/812318593.db2.gz LPZKLVIZWJRTMP-UHFFFAOYSA-N 1 3 290.426 3.380 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CC[C@](C)(N)C2)c(C)c1C ZINC001204790813 812738304 /nfs/dbraw/zinc/73/83/04/812738304.db2.gz MZYCODXRJZYHPQ-KRWDZBQOSA-N 1 3 260.425 3.152 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CC[C@](C)(N)C2)c(C)c1C ZINC001204790813 812738309 /nfs/dbraw/zinc/73/83/09/812738309.db2.gz MZYCODXRJZYHPQ-KRWDZBQOSA-N 1 3 260.425 3.152 20 0 CGADHO COC(=O)CCCCCCCCC[N@@H+]1CCC[C@](C)(N)C1 ZINC001204938491 812786149 /nfs/dbraw/zinc/78/61/49/812786149.db2.gz MBVTYFHZNWFSTG-KRWDZBQOSA-N 1 3 298.471 3.093 20 0 CGADHO COC(=O)CCCCCCCCC[N@H+]1CCC[C@](C)(N)C1 ZINC001204938491 812786156 /nfs/dbraw/zinc/78/61/56/812786156.db2.gz MBVTYFHZNWFSTG-KRWDZBQOSA-N 1 3 298.471 3.093 20 0 CGADHO COc1ccc(CN2CCC[C@H]([NH3+])CC2)c2ccccc12 ZINC001205095259 812862080 /nfs/dbraw/zinc/86/20/80/812862080.db2.gz WHUQGROXCIFUBM-HNNXBMFYSA-N 1 3 284.403 3.162 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205265656 812921378 /nfs/dbraw/zinc/92/13/78/812921378.db2.gz QMSGYFQUWJXVMG-QGZVFWFLSA-N 1 3 271.408 3.180 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205296096 812936052 /nfs/dbraw/zinc/93/60/52/812936052.db2.gz GREPWKSLYJYLCB-CRAIPNDOSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC001205296096 812936057 /nfs/dbraw/zinc/93/60/57/812936057.db2.gz GREPWKSLYJYLCB-CRAIPNDOSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC001205296096 812936064 /nfs/dbraw/zinc/93/60/64/812936064.db2.gz GREPWKSLYJYLCB-CRAIPNDOSA-N 1 3 274.452 3.269 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@H](C)[C@H](CN)C1)CC(C)(C)C ZINC001205297132 812937332 /nfs/dbraw/zinc/93/73/32/812937332.db2.gz ZPUFJWPLWFUZDM-QLFBSQMISA-N 1 3 254.462 3.366 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@H](C)[C@H](CN)C1)CC(C)(C)C ZINC001205297132 812937336 /nfs/dbraw/zinc/93/73/36/812937336.db2.gz ZPUFJWPLWFUZDM-QLFBSQMISA-N 1 3 254.462 3.366 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(F)c3ccccc23)C[C@H]1C[NH3+] ZINC001205303166 812940860 /nfs/dbraw/zinc/94/08/60/812940860.db2.gz ACLYJUKKBYJGSE-UKRRQHHQSA-N 1 3 286.394 3.396 20 0 CGADHO CCCc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC001205303361 812941084 /nfs/dbraw/zinc/94/10/84/812941084.db2.gz CWUKOFBNJIQWED-OLZOCXBDSA-N 1 3 266.454 3.117 20 0 CGADHO CCCc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205305003 812944274 /nfs/dbraw/zinc/94/42/74/812944274.db2.gz QMCAMWNATFZKCB-WMLDXEAASA-N 1 3 260.425 3.056 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C3CCC3)cc2)C[C@H]1C[NH3+] ZINC001205317173 812949757 /nfs/dbraw/zinc/94/97/57/812949757.db2.gz MYXGQIVZGMRMQX-RDTXWAMCSA-N 1 3 272.436 3.371 20 0 CGADHO Cc1ccc(C[N@H+]2CCNCC[C@@H]2C)c2ccccc12 ZINC001205324422 812954367 /nfs/dbraw/zinc/95/43/67/812954367.db2.gz BFOWOWACVOSGKX-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@@H+]2CCNCC[C@@H]2C)c2ccccc12 ZINC001205324422 812954373 /nfs/dbraw/zinc/95/43/73/812954373.db2.gz BFOWOWACVOSGKX-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@H+]2CCNCC[C@H]2C)c2ccccc12 ZINC001205324425 812954847 /nfs/dbraw/zinc/95/48/47/812954847.db2.gz BFOWOWACVOSGKX-OAHLLOKOSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@@H+]2CCNCC[C@H]2C)c2ccccc12 ZINC001205324425 812954851 /nfs/dbraw/zinc/95/48/51/812954851.db2.gz BFOWOWACVOSGKX-OAHLLOKOSA-N 1 3 268.404 3.332 20 0 CGADHO CCN(CCC[NH+](C)C)CC(C)(C)Oc1ccccc1 ZINC001205692599 813054222 /nfs/dbraw/zinc/05/42/22/813054222.db2.gz GSQVLSAKVDPVTF-UHFFFAOYSA-N 1 3 278.440 3.118 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901961 813124767 /nfs/dbraw/zinc/12/47/67/813124767.db2.gz GLGWDZWGJJGREJ-HOCLYGCPSA-N 1 3 298.430 3.408 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205904622 813126863 /nfs/dbraw/zinc/12/68/63/813126863.db2.gz WDBPOSXFUCLUJP-JYJNAYRXSA-N 1 3 252.446 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001205904622 813126866 /nfs/dbraw/zinc/12/68/66/813126866.db2.gz WDBPOSXFUCLUJP-JYJNAYRXSA-N 1 3 252.446 3.428 20 0 CGADHO C[C@H]1CN(Cc2cc(-c3ccccc3)on2)CCC[C@@H]1C[NH3+] ZINC001205993168 813155160 /nfs/dbraw/zinc/15/51/60/813155160.db2.gz HKZDIPZHBLRTMT-GOEBONIOSA-N 1 3 299.418 3.148 20 0 CGADHO CC(C)(C)c1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206164889 813222300 /nfs/dbraw/zinc/22/23/00/813222300.db2.gz LNTFAZRHCFHYBG-HZPDHXFCSA-N 1 3 278.415 3.245 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1OC(C)C ZINC001206183732 813230693 /nfs/dbraw/zinc/23/06/93/813230693.db2.gz HADFOTBWPFDDPS-JKSUJKDBSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1OC(C)C ZINC001206183732 813230697 /nfs/dbraw/zinc/23/06/97/813230697.db2.gz HADFOTBWPFDDPS-JKSUJKDBSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1CCNC[C@@H](C)C1 ZINC001206269543 813265597 /nfs/dbraw/zinc/26/55/97/813265597.db2.gz QJVSPVGNIBLVRL-GFCCVEGCSA-N 1 3 274.433 3.251 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1CCNC[C@@H](C)C1 ZINC001206269543 813265604 /nfs/dbraw/zinc/26/56/04/813265604.db2.gz QJVSPVGNIBLVRL-GFCCVEGCSA-N 1 3 274.433 3.251 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc3cccnc3c2)C1 ZINC001206549583 813347899 /nfs/dbraw/zinc/34/78/99/813347899.db2.gz OXMZNRBQQMYKFI-SFHVURJKSA-N 1 3 283.419 3.186 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206549959 813348465 /nfs/dbraw/zinc/34/84/65/813348465.db2.gz RZPCGWISNPMLQL-GOSISDBHSA-N 1 3 285.435 3.427 20 0 CGADHO Cc1cccc2c(CN3CCCC[C@](C)(C[NH3+])C3)c[nH]c21 ZINC001206549851 813348680 /nfs/dbraw/zinc/34/86/80/813348680.db2.gz RAVBUFKUVBSTPA-GOSISDBHSA-N 1 3 285.435 3.427 20 0 CGADHO Cc1onc(-c2ccccc2)c1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206624028 813378757 /nfs/dbraw/zinc/37/87/57/813378757.db2.gz QPYPBXUEVANLAW-HNNXBMFYSA-N 1 3 299.418 3.211 20 0 CGADHO CN(C)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207178594 813506021 /nfs/dbraw/zinc/50/60/21/813506021.db2.gz WXQFQVNXADLTBQ-WMLDXEAASA-N 1 3 292.854 3.470 20 0 CGADHO CC[N@H+](Cc1cccs1)CC(C)(C)CN(C)C ZINC001207288449 813535556 /nfs/dbraw/zinc/53/55/56/813535556.db2.gz ORAXVWLZOPXJKX-UHFFFAOYSA-N 1 3 254.443 3.158 20 0 CGADHO CC[N@@H+](Cc1cccs1)CC(C)(C)CN(C)C ZINC001207288449 813535560 /nfs/dbraw/zinc/53/55/60/813535560.db2.gz ORAXVWLZOPXJKX-UHFFFAOYSA-N 1 3 254.443 3.158 20 0 CGADHO CN(CCCc1ccc(Cl)cc1)CCC[NH+](C)C ZINC001207592911 813604970 /nfs/dbraw/zinc/60/49/70/813604970.db2.gz LPSHLJOAVIJVFH-UHFFFAOYSA-N 1 3 268.832 3.156 20 0 CGADHO CC1(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2)CCOCC1 ZINC001207968824 813682413 /nfs/dbraw/zinc/68/24/13/813682413.db2.gz QDHMEVQATWFJKT-QGZVFWFLSA-N 1 3 294.483 3.144 20 0 CGADHO CC1(C[N@H+]2CCCC[C@@H]2CCN2CCCC2)CCOCC1 ZINC001207968824 813682415 /nfs/dbraw/zinc/68/24/15/813682415.db2.gz QDHMEVQATWFJKT-QGZVFWFLSA-N 1 3 294.483 3.144 20 0 CGADHO CCC[NH+]1C[C@H]2CN(CCCC3CCCC3)C[C@@H]2C1 ZINC001208095028 813692701 /nfs/dbraw/zinc/69/27/01/813692701.db2.gz UNKOTSVHJGNPAF-IRXDYDNUSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN1C[C@H]2C[NH+](CCCC3CCCC3)C[C@@H]2C1 ZINC001208095028 813692703 /nfs/dbraw/zinc/69/27/03/813692703.db2.gz UNKOTSVHJGNPAF-IRXDYDNUSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605965 813770695 /nfs/dbraw/zinc/77/06/95/813770695.db2.gz CSLVUIDSTDVEMH-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605965 813770700 /nfs/dbraw/zinc/77/07/00/813770700.db2.gz CSLVUIDSTDVEMH-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO c1ccc(CN2CC3(C2)CC[NH+](CCC2CC2)CC3)cc1 ZINC001208689132 813795711 /nfs/dbraw/zinc/79/57/11/813795711.db2.gz XISANTSGGYDVED-UHFFFAOYSA-N 1 3 284.447 3.385 20 0 CGADHO CCC[NH+](CCC)CCN1CCN(CCCC(C)C)CC1 ZINC001208736548 813826599 /nfs/dbraw/zinc/82/65/99/813826599.db2.gz LTFYPUAOGLSRGT-UHFFFAOYSA-N 1 3 297.531 3.162 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222230848 816380772 /nfs/dbraw/zinc/38/07/72/816380772.db2.gz FEVBOAXXUXBAFP-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222230848 816380781 /nfs/dbraw/zinc/38/07/81/816380781.db2.gz FEVBOAXXUXBAFP-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO c1cc2cccc(CN3CCC[C@@]4(CCC[NH2+]C4)C3)c2o1 ZINC001222278072 816392823 /nfs/dbraw/zinc/39/28/23/816392823.db2.gz XBBKWMMCMBVWRZ-GOSISDBHSA-N 1 3 284.403 3.398 20 0 CGADHO Cc1ccc(F)cc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222316422 816407129 /nfs/dbraw/zinc/40/71/29/816407129.db2.gz WDUDDDSGJZTRQL-KRWDZBQOSA-N 1 3 276.399 3.242 20 0 CGADHO COc1cccc(C)c1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321401 816408812 /nfs/dbraw/zinc/40/88/12/816408812.db2.gz VFZYOKRSQLVCBY-GOSISDBHSA-N 1 3 288.435 3.112 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615873 816479163 /nfs/dbraw/zinc/47/91/63/816479163.db2.gz SZXDHRLBGVEARK-IXDOHACOSA-N 1 3 296.499 3.292 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615873 816479169 /nfs/dbraw/zinc/47/91/69/816479169.db2.gz SZXDHRLBGVEARK-IXDOHACOSA-N 1 3 296.499 3.292 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(CC(C)C)cc3)C[C@@H]2C1 ZINC001231790464 818177406 /nfs/dbraw/zinc/17/74/06/818177406.db2.gz VEWYAEGLWDFTRM-KDURUIRLSA-N 1 3 286.463 3.269 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3ccc(CC(C)C)cc3)C[C@@H]2C1 ZINC001231790464 818177411 /nfs/dbraw/zinc/17/74/11/818177411.db2.gz VEWYAEGLWDFTRM-KDURUIRLSA-N 1 3 286.463 3.269 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C2CCCC2)c1 ZINC001232147124 818264090 /nfs/dbraw/zinc/26/40/90/818264090.db2.gz JIAUQJQEYBJSAU-UHFFFAOYSA-N 1 3 264.388 3.262 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C2CCCC2)c1 ZINC001232147124 818264093 /nfs/dbraw/zinc/26/40/93/818264093.db2.gz JIAUQJQEYBJSAU-UHFFFAOYSA-N 1 3 264.388 3.262 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1cccc3c1CCCC3)CC2 ZINC001232638167 818409177 /nfs/dbraw/zinc/40/91/77/818409177.db2.gz GMMHLMQGRQWOCS-UHFFFAOYSA-N 1 3 284.447 3.093 20 0 CGADHO C[C@@H](CCN1CC[C@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032575 818984863 /nfs/dbraw/zinc/98/48/63/818984863.db2.gz RGLBLOHHUJMGQF-HOCLYGCPSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1cc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)sc1C ZINC001235041214 818988833 /nfs/dbraw/zinc/98/88/33/818988833.db2.gz YGYVMOGTFKTDCK-INIZCTEOSA-N 1 3 278.465 3.473 20 0 CGADHO Cc1ccc2[nH]c(CN3CCC4(CC[NH2+]CC4)CC3)cc2c1 ZINC001235135067 819014501 /nfs/dbraw/zinc/01/45/01/819014501.db2.gz IIWZCDHICBIZIU-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO COc1c(C)cc(CN2CCCC23CC[NH2+]CC3)cc1C ZINC001235141627 819015660 /nfs/dbraw/zinc/01/56/60/819015660.db2.gz UOMMXWOCMKQBTA-UHFFFAOYSA-N 1 3 288.435 3.030 20 0 CGADHO COc1c(C)cc(C[N@@H+]2CCCC23CCNCC3)cc1C ZINC001235141627 819015663 /nfs/dbraw/zinc/01/56/63/819015663.db2.gz UOMMXWOCMKQBTA-UHFFFAOYSA-N 1 3 288.435 3.030 20 0 CGADHO COc1c(C)cc(C[N@H+]2CCCC23CCNCC3)cc1C ZINC001235141627 819015665 /nfs/dbraw/zinc/01/56/65/819015665.db2.gz UOMMXWOCMKQBTA-UHFFFAOYSA-N 1 3 288.435 3.030 20 0 CGADHO Cc1ccccc1-c1ccccc1CN1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283850 819060711 /nfs/dbraw/zinc/06/07/11/819060711.db2.gz HMSWQJJQUWXWEI-REPLKXPHSA-N 1 3 278.399 3.051 20 0 CGADHO CN(Cc1cc(Cl)c(F)cc1F)CC1CC[NH2+]CC1 ZINC001235433570 819096090 /nfs/dbraw/zinc/09/60/90/819096090.db2.gz MQYPSPULQKSBJJ-UHFFFAOYSA-N 1 3 288.769 3.050 20 0 CGADHO CCCCN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235662880 819131587 /nfs/dbraw/zinc/13/15/87/819131587.db2.gz CTYAXVXOFLZTHZ-KRWDZBQOSA-N 1 3 260.425 3.288 20 0 CGADHO C[C@H](CN(C)C[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842588 819184003 /nfs/dbraw/zinc/18/40/03/819184003.db2.gz PICWZZDDFNYUOA-CVEARBPZSA-N 1 3 282.431 3.485 20 0 CGADHO c1ccc(-c2ccc(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001235929838 819227827 /nfs/dbraw/zinc/22/78/27/819227827.db2.gz UXEVPOYDDQMWLK-WOJBJXKFSA-N 1 3 292.426 3.395 20 0 CGADHO COCC[N@H+](CC[C@H]1CC=C(C)C1(C)C)C1CCNCC1 ZINC001235945172 819235589 /nfs/dbraw/zinc/23/55/89/819235589.db2.gz BJHWMDDNFGMWCF-MRXNPFEDSA-N 1 3 294.483 3.069 20 0 CGADHO COCC[N@@H+](CC[C@H]1CC=C(C)C1(C)C)C1CCNCC1 ZINC001235945172 819235595 /nfs/dbraw/zinc/23/55/95/819235595.db2.gz BJHWMDDNFGMWCF-MRXNPFEDSA-N 1 3 294.483 3.069 20 0 CGADHO COCCN(CC[C@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235945172 819235600 /nfs/dbraw/zinc/23/56/00/819235600.db2.gz BJHWMDDNFGMWCF-MRXNPFEDSA-N 1 3 294.483 3.069 20 0 CGADHO CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235963788 819253024 /nfs/dbraw/zinc/25/30/24/819253024.db2.gz VFTSZNRLRYSIAJ-VMPITWQZSA-N 1 3 278.399 3.435 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1Cc1ccc2n1CC[NH2+]C2 ZINC001236059406 819292864 /nfs/dbraw/zinc/29/28/64/819292864.db2.gz HJDPGGHMZDSBAE-LJQANCHMSA-N 1 3 295.430 3.101 20 0 CGADHO C[C@H]1CN(CCCCCc2ccccc2)CCC[NH2+]1 ZINC001236098954 819316298 /nfs/dbraw/zinc/31/62/98/819316298.db2.gz VTWOQVTWDNADST-INIZCTEOSA-N 1 3 260.425 3.083 20 0 CGADHO CC(C)[C@H]1CCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001236110652 819325191 /nfs/dbraw/zinc/32/51/91/819325191.db2.gz DRZOOQMYKPZQIA-CQSZACIVSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)[C@H]1CCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001236110652 819325197 /nfs/dbraw/zinc/32/51/97/819325197.db2.gz DRZOOQMYKPZQIA-CQSZACIVSA-N 1 3 264.438 3.014 20 0 CGADHO c1ccc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236375046 819443060 /nfs/dbraw/zinc/44/30/60/819443060.db2.gz UUTVNHAWABSECR-KRWDZBQOSA-N 1 3 272.436 3.431 20 0 CGADHO c1ccc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236375046 819443064 /nfs/dbraw/zinc/44/30/64/819443064.db2.gz UUTVNHAWABSECR-KRWDZBQOSA-N 1 3 272.436 3.431 20 0 CGADHO CCN(CCCc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407506 819454900 /nfs/dbraw/zinc/45/49/00/819454900.db2.gz DXHJVLCNNUTZAV-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCN(Cc1cccc2c1ccn2CC)C[C@H]1CC[NH2+]C1 ZINC001236409437 819456141 /nfs/dbraw/zinc/45/61/41/819456141.db2.gz UVKWFVAYNUBRFX-HNNXBMFYSA-N 1 3 285.435 3.093 20 0 CGADHO CN(C)/C=C/c1ccncc1-c1cccc(C[NH+](C)C)c1 ZINC001236426953 819473630 /nfs/dbraw/zinc/47/36/30/819473630.db2.gz PTSHXNDLEVIXHM-PKNBQFBNSA-N 1 3 281.403 3.343 20 0 CGADHO Cc1cc(F)cc(CN(C[C@@H]2C[C@@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481554 819497356 /nfs/dbraw/zinc/49/73/56/819497356.db2.gz WYTOHIFBYDQCGB-HOCLYGCPSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@@H+](C[C@@H]2C[C@@H]2C)C2CCNCC2)c1 ZINC001236481554 819497361 /nfs/dbraw/zinc/49/73/61/819497361.db2.gz WYTOHIFBYDQCGB-HOCLYGCPSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@H+](C[C@@H]2C[C@@H]2C)C2CCNCC2)c1 ZINC001236481554 819497368 /nfs/dbraw/zinc/49/73/68/819497368.db2.gz WYTOHIFBYDQCGB-HOCLYGCPSA-N 1 3 290.426 3.344 20 0 CGADHO c1cc2c(cccc2CN(C[C@@H]2CCC[NH2+]C2)C2CC2)o1 ZINC001236600398 819548742 /nfs/dbraw/zinc/54/87/42/819548742.db2.gz HXQHCCCHEFHJIO-CQSZACIVSA-N 1 3 284.403 3.397 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@](C)(CN)C1 ZINC001236606043 819550460 /nfs/dbraw/zinc/55/04/60/819550460.db2.gz YQEPQDAZKKADIK-GOSISDBHSA-N 1 3 268.404 3.319 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@](C)(CN)C1 ZINC001236606043 819550468 /nfs/dbraw/zinc/55/04/68/819550468.db2.gz YQEPQDAZKKADIK-GOSISDBHSA-N 1 3 268.404 3.319 20 0 CGADHO CC(C)(C)CC[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001236646200 819559978 /nfs/dbraw/zinc/55/99/78/819559978.db2.gz FBNQUENDLULDJR-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CC[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001236646200 819559984 /nfs/dbraw/zinc/55/99/84/819559984.db2.gz FBNQUENDLULDJR-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO CCCN(Cc1coc2ccc(F)cc12)C[C@@H]1CC[NH2+]C1 ZINC001236833428 819613788 /nfs/dbraw/zinc/61/37/88/819613788.db2.gz BDNBWOMVKWSMFN-CYBMUJFWSA-N 1 3 290.382 3.393 20 0 CGADHO CCCN(Cc1cc(C)cc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236842338 819618515 /nfs/dbraw/zinc/61/85/15/819618515.db2.gz FESVAQVMFFGEBC-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO CCCN(Cc1cc(C)c(C)s1)C[C@H]1CC[NH2+]C1 ZINC001236843224 819618780 /nfs/dbraw/zinc/61/87/80/819618780.db2.gz LTSJWUHKIFSFII-AWEZNQCLSA-N 1 3 266.454 3.186 20 0 CGADHO CN(Cc1cc(O)cc2ccccc21)C1CC[NH+](C)CC1 ZINC001237066952 819659075 /nfs/dbraw/zinc/65/90/75/819659075.db2.gz XUCSAXCUWVRXSI-UHFFFAOYSA-N 1 3 284.403 3.071 20 0 CGADHO CC(C)[NH+]1CCC(C[N@H+](C)Cc2occc2[S-])CC1 ZINC001237178976 819687565 /nfs/dbraw/zinc/68/75/65/819687565.db2.gz NMILRJALPUURBI-UHFFFAOYSA-N 1 3 282.453 3.121 20 0 CGADHO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2occc2[S-])CC1 ZINC001237178976 819687569 /nfs/dbraw/zinc/68/75/69/819687569.db2.gz NMILRJALPUURBI-UHFFFAOYSA-N 1 3 282.453 3.121 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1C[C@@H](N)C[C@H]1C ZINC001237204779 819697810 /nfs/dbraw/zinc/69/78/10/819697810.db2.gz SUPILLMEWKFCPN-PWSUYJOCSA-N 1 3 260.406 3.131 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](N)C[C@H]1C ZINC001237204779 819697812 /nfs/dbraw/zinc/69/78/12/819697812.db2.gz SUPILLMEWKFCPN-PWSUYJOCSA-N 1 3 260.406 3.131 20 0 CGADHO CC[C@H](N)C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265080 819711883 /nfs/dbraw/zinc/71/18/83/819711883.db2.gz LRIKTKBSATUPCE-CVEARBPZSA-N 1 3 290.451 3.391 20 0 CGADHO CC[C@H](N)C[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265080 819711888 /nfs/dbraw/zinc/71/18/88/819711888.db2.gz LRIKTKBSATUPCE-CVEARBPZSA-N 1 3 290.451 3.391 20 0 CGADHO Cc1c(Cl)ccc(C[NH+]2CCC3(CN(C)C3)CC2)c1C ZINC001238225613 819964349 /nfs/dbraw/zinc/96/43/49/819964349.db2.gz ZZVLROJYCKHBEY-UHFFFAOYSA-N 1 3 292.854 3.484 20 0 CGADHO Cc1ccc(Cl)c(CN2CCC(C[NH+](C)C)CC2)c1 ZINC001238558268 820041529 /nfs/dbraw/zinc/04/15/29/820041529.db2.gz WBFOTXVEFZMNPH-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO C[C@]12CN(CCCCF)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001460751137 937543223 /nfs/dbraw/zinc/54/32/23/937543223.db2.gz ZAHDPFQNUMRRLU-ZWKOTPCHSA-N 1 3 290.426 3.190 20 0 CGADHO C[C@]12CN(CCCCF)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001460751137 937543225 /nfs/dbraw/zinc/54/32/25/937543225.db2.gz ZAHDPFQNUMRRLU-ZWKOTPCHSA-N 1 3 290.426 3.190 20 0 CGADHO Cc1ccc(F)cc1C[NH2+]CC1(CN(C)C)CCCC1 ZINC001461423141 937580166 /nfs/dbraw/zinc/58/01/66/937580166.db2.gz GBAKIZLQVQUJQL-UHFFFAOYSA-N 1 3 278.415 3.346 20 0 CGADHO Cc1ccc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1C ZINC001308087996 933046390 /nfs/dbraw/zinc/04/63/90/933046390.db2.gz CIEQUOVNFCICOR-QGZVFWFLSA-N 1 3 295.430 3.409 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001308091168 933046813 /nfs/dbraw/zinc/04/68/13/933046813.db2.gz YBMHQUXTVYCPLY-IKGGRYGDSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001308091168 933046818 /nfs/dbraw/zinc/04/68/18/933046818.db2.gz YBMHQUXTVYCPLY-IKGGRYGDSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001462673653 937659137 /nfs/dbraw/zinc/65/91/37/937659137.db2.gz XULMIXQNDNLSES-QCODTGAPSA-N 1 3 264.457 3.131 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001308987257 933222672 /nfs/dbraw/zinc/22/26/72/933222672.db2.gz GXAKWJNOPQIAGS-JJXSEGSLSA-N 1 3 252.446 3.133 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001308986916 933222788 /nfs/dbraw/zinc/22/27/88/933222788.db2.gz DKDVXWKHDKNNNB-YHUYYLMFSA-N 1 3 252.446 3.275 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321344 934386299 /nfs/dbraw/zinc/38/62/99/934386299.db2.gz IECVMKIGRKTCBU-HIFRSBDPSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321344 934386311 /nfs/dbraw/zinc/38/63/11/934386311.db2.gz IECVMKIGRKTCBU-HIFRSBDPSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC001324762295 934564474 /nfs/dbraw/zinc/56/44/74/934564474.db2.gz BMYBVZXPVKIPQP-HZPDHXFCSA-N 1 3 289.467 3.135 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564107 935227976 /nfs/dbraw/zinc/22/79/76/935227976.db2.gz DUSHWQSWRUNLTD-CHWSQXEVSA-N 1 3 297.393 3.402 20 0 CGADHO C(C1CCC1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC001329925718 935254949 /nfs/dbraw/zinc/25/49/49/935254949.db2.gz NJLINPLWDLTQKL-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC001329925718 935254952 /nfs/dbraw/zinc/25/49/52/935254952.db2.gz NJLINPLWDLTQKL-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC001474320525 937851371 /nfs/dbraw/zinc/85/13/71/937851371.db2.gz IKYOXVIFSJHPMW-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC001474320525 937851372 /nfs/dbraw/zinc/85/13/72/937851372.db2.gz IKYOXVIFSJHPMW-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC001474320525 937851373 /nfs/dbraw/zinc/85/13/73/937851373.db2.gz IKYOXVIFSJHPMW-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC001474320525 937851374 /nfs/dbraw/zinc/85/13/74/937851374.db2.gz IKYOXVIFSJHPMW-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1(C)C ZINC001474499163 937863096 /nfs/dbraw/zinc/86/30/96/937863096.db2.gz LWTOSNNVOMCIBI-YESZJQIVSA-N 1 3 296.499 3.290 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1(C)C ZINC001474628198 937871456 /nfs/dbraw/zinc/87/14/56/937871456.db2.gz AOTXAPIVHPYUOQ-YESZJQIVSA-N 1 3 296.499 3.292 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001474759801 937879109 /nfs/dbraw/zinc/87/91/09/937879109.db2.gz VRBVTAGTJWXUQC-CVEARBPZSA-N 1 3 290.451 3.263 20 0 CGADHO C(C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547127 938229223 /nfs/dbraw/zinc/22/92/23/938229223.db2.gz OJXVSMSYRHKBJC-JQHSSLGASA-N 1 3 276.468 3.230 20 0 CGADHO C(C[N@H+]1CC[C@@H](CN2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547127 938229224 /nfs/dbraw/zinc/22/92/24/938229224.db2.gz OJXVSMSYRHKBJC-JQHSSLGASA-N 1 3 276.468 3.230 20 0 CGADHO C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547127 938229225 /nfs/dbraw/zinc/22/92/25/938229225.db2.gz OJXVSMSYRHKBJC-JQHSSLGASA-N 1 3 276.468 3.230 20 0 CGADHO Cc1cc(C)c(/C=C/CNCCC[NH+]2CCC2)c(C)c1 ZINC001560427955 938257883 /nfs/dbraw/zinc/25/78/83/938257883.db2.gz VMTAJOHHGLIAOU-QPJJXVBHSA-N 1 3 272.436 3.310 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+]C[C@H]2CN3CCC2CC3)C1 ZINC001561034098 938290739 /nfs/dbraw/zinc/29/07/39/938290739.db2.gz HFAMGBNILHNQOF-HOCLYGCPSA-N 1 3 264.457 3.134 20 0 CGADHO Cc1ccc2c(c1)C[C@@H](N1CCC([NH3+])(CC3CC3)CC1)CC2 ZINC001172828774 957881319 /nfs/dbraw/zinc/88/13/19/957881319.db2.gz PSIAPIAXRWJLIH-IBGZPJMESA-N 1 3 298.474 3.446 20 0 CGADHO CC(C)(CN[C@@H]1CC[NH2+]C2(CCC2)C1)Oc1ccccc1 ZINC001575334088 962359699 /nfs/dbraw/zinc/35/96/99/962359699.db2.gz CUQYQWOXKCSTGC-OAHLLOKOSA-N 1 3 288.435 3.108 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC2(CCC2)C1)Oc1ccccc1 ZINC001575334088 962359714 /nfs/dbraw/zinc/35/97/14/962359714.db2.gz CUQYQWOXKCSTGC-OAHLLOKOSA-N 1 3 288.435 3.108 20 0 CGADHO CC(C)(C[NH3+])CN[C@H]1CCCc2ccc(Cl)cc21 ZINC001575315571 962368232 /nfs/dbraw/zinc/36/82/32/962368232.db2.gz SAIAJNWTUAIKNS-AWEZNQCLSA-N 1 3 266.816 3.292 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001575423100 962371885 /nfs/dbraw/zinc/37/18/85/962371885.db2.gz PKBKMZRGYHXCEA-HZPDHXFCSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001575423100 962371911 /nfs/dbraw/zinc/37/19/11/962371911.db2.gz PKBKMZRGYHXCEA-HZPDHXFCSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@@H](C[NH3+])CNCc1ccc(C2CCC2)cc1 ZINC001575421734 962379071 /nfs/dbraw/zinc/37/90/71/962379071.db2.gz CIIHFHXIXHUWNT-KRWDZBQOSA-N 1 3 260.425 3.275 20 0 CGADHO C[C@H](NC[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H]1CCC[NH2+]C1 ZINC001576246447 962453415 /nfs/dbraw/zinc/45/34/15/962453415.db2.gz WLQWYUSPHZSMAE-TUUVXOQKSA-N 1 3 294.389 3.013 20 0 CGADHO C[C@]1(CN[C@H](C[NH3+])C2CCCCC2)CC1(Cl)Cl ZINC001576519881 962471242 /nfs/dbraw/zinc/47/12/42/962471242.db2.gz VMWJJEAWDZYXES-VXGBXAGGSA-N 1 3 279.255 3.068 20 0 CGADHO CC(C)[C@H](CN[C@@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850318 962488281 /nfs/dbraw/zinc/48/82/81/962488281.db2.gz RYLPJNMDJFHDRN-SZMVWBNQSA-N 1 3 274.452 3.089 20 0 CGADHO CCO[C@@H]1C[C@H](N(C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087224 962562138 /nfs/dbraw/zinc/56/21/38/962562138.db2.gz GJRFGQKSJRPPHO-LSDHHAIUSA-N 1 3 282.472 3.031 20 0 CGADHO COCCC1(CNC[C@@H]2CCC(C)(C)C[NH2+]2)CCCCC1 ZINC001579007479 962614498 /nfs/dbraw/zinc/61/44/98/962614498.db2.gz UXZCVPOVZFBMIB-INIZCTEOSA-N 1 3 296.499 3.341 20 0 CGADHO Clc1ccc(CC2(NC[C@]34C[C@H]3C[NH2+]C4)CCC2)cc1 ZINC001579937968 962679069 /nfs/dbraw/zinc/67/90/69/962679069.db2.gz HWMNHFYCCQHJME-GOEBONIOSA-N 1 3 290.838 3.004 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCSC1CCCCC1 ZINC001580261773 962706897 /nfs/dbraw/zinc/70/68/97/962706897.db2.gz JOVBKOCVPJCRMY-HIFRSBDPSA-N 1 3 270.486 3.159 20 0 CGADHO COC[C@H](CC(C)(C)C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000651683641 398268422 /nfs/dbraw/zinc/26/84/22/398268422.db2.gz HWKOZXFTCZYRCR-HNNXBMFYSA-N 1 3 284.488 3.290 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337987316 214346588 /nfs/dbraw/zinc/34/65/88/214346588.db2.gz JTDGITASXAZVIZ-LSDHHAIUSA-N 1 3 258.425 3.226 20 0 CGADHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2cccnc2)CC1 ZINC000590786443 346875824 /nfs/dbraw/zinc/87/58/24/346875824.db2.gz XJTQAXYGNVMCMC-OAHLLOKOSA-N 1 3 275.440 3.195 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2cccnc2)CC1 ZINC000590786443 346875827 /nfs/dbraw/zinc/87/58/27/346875827.db2.gz XJTQAXYGNVMCMC-OAHLLOKOSA-N 1 3 275.440 3.195 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459413 529453271 /nfs/dbraw/zinc/45/32/71/529453271.db2.gz HZABVGUIWSWKFV-UONOGXRCSA-N 1 3 286.341 3.483 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000423480021 529453337 /nfs/dbraw/zinc/45/33/37/529453337.db2.gz VXZBTMJXLJXYQU-RYUDHWBXSA-N 1 3 260.356 3.367 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@H]1C[C@H]1C ZINC000414087279 529613107 /nfs/dbraw/zinc/61/31/07/529613107.db2.gz ABFCHZDAADHJPS-QZWWFDLISA-N 1 3 266.473 3.379 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc(Br)cc1 ZINC000423276840 529619072 /nfs/dbraw/zinc/61/90/72/529619072.db2.gz OYDUDQRACVGBIO-KBPBESRZSA-N 1 3 299.256 3.473 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364509 349790904 /nfs/dbraw/zinc/79/09/04/349790904.db2.gz APYVFBQQDUEKPD-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364509 349790906 /nfs/dbraw/zinc/79/09/06/349790906.db2.gz APYVFBQQDUEKPD-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000423276572 529655987 /nfs/dbraw/zinc/65/59/87/529655987.db2.gz OPHKFBRLSZZGHB-VNQPRFMTSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1F ZINC000423270136 529669678 /nfs/dbraw/zinc/66/96/78/529669678.db2.gz GDCYUUDXBVWBJV-RCBQFDQVSA-N 1 3 264.388 3.384 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1F ZINC000623407496 349800439 /nfs/dbraw/zinc/80/04/39/349800439.db2.gz IOFDQUFAQYZWHZ-CQSZACIVSA-N 1 3 294.414 3.187 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623414712 349802766 /nfs/dbraw/zinc/80/27/66/349802766.db2.gz NISGNSFOPRMUJC-FRFSOERESA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414712 349802768 /nfs/dbraw/zinc/80/27/68/349802768.db2.gz NISGNSFOPRMUJC-FRFSOERESA-N 1 3 272.436 3.382 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccc(O)cc1)CN1CCCCC1 ZINC000126702216 187256761 /nfs/dbraw/zinc/25/67/61/187256761.db2.gz VVQUXWSSWQPCGJ-HZPDHXFCSA-N 1 3 290.451 3.035 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423406147 529722299 /nfs/dbraw/zinc/72/22/99/529722299.db2.gz YQJRLCGPLVNZGF-QJPTWQEYSA-N 1 3 252.427 3.231 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623575323 349840138 /nfs/dbraw/zinc/84/01/38/349840138.db2.gz VNXRBQOFMOZAPY-DHXZDTOLSA-N 1 3 276.468 3.133 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000623657783 349859424 /nfs/dbraw/zinc/85/94/24/349859424.db2.gz YZDFJGWRJPNOGA-DRDHIDPGSA-N 1 3 294.389 3.300 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C[C@@H](C)C1 ZINC000623657697 349859482 /nfs/dbraw/zinc/85/94/82/349859482.db2.gz WUOZKEGIFSTRNT-XUWVNRHRSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)c(C)c1 ZINC000623655052 349856233 /nfs/dbraw/zinc/85/62/33/349856233.db2.gz NCHZZEXVRLKRLP-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656027 349856352 /nfs/dbraw/zinc/85/63/52/349856352.db2.gz LGTVPRVLSZJCIU-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656027 349856354 /nfs/dbraw/zinc/85/63/54/349856354.db2.gz LGTVPRVLSZJCIU-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656027 349856359 /nfs/dbraw/zinc/85/63/59/349856359.db2.gz LGTVPRVLSZJCIU-FXFXYLOPSA-N 1 3 272.436 3.411 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000623656385 349857640 /nfs/dbraw/zinc/85/76/40/349857640.db2.gz SZOSFQHAWQBIPC-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623656515 349857725 /nfs/dbraw/zinc/85/77/25/349857725.db2.gz VYEJOFFBGONFHB-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO CC[NH+]1CCC(CCN[C@H]2CCCc3scnc32)CC1 ZINC000623899787 349910263 /nfs/dbraw/zinc/91/02/63/349910263.db2.gz SGRDIBOTARIXDW-AWEZNQCLSA-N 1 3 293.480 3.232 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423270778 529986021 /nfs/dbraw/zinc/98/60/21/529986021.db2.gz IMPNYRBPAXQZAJ-OKZRHMCRSA-N 1 3 280.378 3.189 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050696 530064739 /nfs/dbraw/zinc/06/47/39/530064739.db2.gz VSXANGXAQGIHML-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050696 530064740 /nfs/dbraw/zinc/06/47/40/530064740.db2.gz VSXANGXAQGIHML-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050696 530064741 /nfs/dbraw/zinc/06/47/41/530064741.db2.gz VSXANGXAQGIHML-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050696 530064742 /nfs/dbraw/zinc/06/47/42/530064742.db2.gz VSXANGXAQGIHML-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050697 530058912 /nfs/dbraw/zinc/05/89/12/530058912.db2.gz VSXANGXAQGIHML-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050697 530058913 /nfs/dbraw/zinc/05/89/13/530058913.db2.gz VSXANGXAQGIHML-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050697 530058914 /nfs/dbraw/zinc/05/89/14/530058914.db2.gz VSXANGXAQGIHML-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4ccoc43)CC[C@H]21 ZINC000449050697 530058915 /nfs/dbraw/zinc/05/89/15/530058915.db2.gz VSXANGXAQGIHML-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000044534871 345012760 /nfs/dbraw/zinc/01/27/60/345012760.db2.gz YMHFVIBZFIBHSO-STQMWFEESA-N 1 3 266.816 3.332 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534871 345012761 /nfs/dbraw/zinc/01/27/61/345012761.db2.gz YMHFVIBZFIBHSO-STQMWFEESA-N 1 3 266.816 3.332 20 0 CGADHO COc1ccc2cc(CNC[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000068722682 345360192 /nfs/dbraw/zinc/36/01/92/345360192.db2.gz UQFVJMVLMXAGOF-INIZCTEOSA-N 1 3 298.430 3.280 20 0 CGADHO COc1ccc2cc(CNC[C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000068722682 345360195 /nfs/dbraw/zinc/36/01/95/345360195.db2.gz UQFVJMVLMXAGOF-INIZCTEOSA-N 1 3 298.430 3.280 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000157535964 232233674 /nfs/dbraw/zinc/23/36/74/232233674.db2.gz LZLSAQZMVYQJEC-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@H](C)C[NH+]1CCCC1 ZINC000157535964 232233678 /nfs/dbraw/zinc/23/36/78/232233678.db2.gz LZLSAQZMVYQJEC-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO CCCN1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093941581 345893130 /nfs/dbraw/zinc/89/31/30/345893130.db2.gz IUXKZNHWINNNHP-HNNXBMFYSA-N 1 3 289.467 3.278 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000173921336 232291151 /nfs/dbraw/zinc/29/11/51/232291151.db2.gz XRLONBJTXALSFV-INIZCTEOSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H](CNCc1ccnc2ccccc12)C[NH+]1CCCC1 ZINC000111763523 345951123 /nfs/dbraw/zinc/95/11/23/345951123.db2.gz FUIXYKXJQSTYOH-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO Cc1c[nH+]ccc1NC[C@H](c1ccccc1)N(C)C ZINC000191976816 346267028 /nfs/dbraw/zinc/26/70/28/346267028.db2.gz MMGMURPVVDAFKN-MRXNPFEDSA-N 1 3 255.365 3.105 20 0 CGADHO C[NH+](C)[C@@H](CNc1ccnc2ccccc21)c1cccs1 ZINC000599441229 347745432 /nfs/dbraw/zinc/74/54/32/347745432.db2.gz YQQJOKIRVUYOCN-INIZCTEOSA-N 1 3 297.427 3.433 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000351863695 219230543 /nfs/dbraw/zinc/23/05/43/219230543.db2.gz UOHLYVPLCHOTFW-RDJZCZTQSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120656 349976706 /nfs/dbraw/zinc/97/67/06/349976706.db2.gz DMTSRJYUVCJJAN-WBVHZDCISA-N 1 3 292.442 3.468 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)[C@H](C)OC)cc1 ZINC000128685634 187384562 /nfs/dbraw/zinc/38/45/62/187384562.db2.gz ZXBPXJWCDYJIGN-CABCVRRESA-N 1 3 278.440 3.041 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121848 349979715 /nfs/dbraw/zinc/97/97/15/349979715.db2.gz DVWMHRXGZSUWCA-SJKOYZFVSA-N 1 3 294.389 3.274 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000624122221 349979750 /nfs/dbraw/zinc/97/97/50/349979750.db2.gz MOXKHNIQCQNMJY-NXVRBGIVSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121170 349978017 /nfs/dbraw/zinc/97/80/17/349978017.db2.gz PNEACBRZEAPQIL-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121170 349978020 /nfs/dbraw/zinc/97/80/20/349978020.db2.gz PNEACBRZEAPQIL-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121170 349978026 /nfs/dbraw/zinc/97/80/26/349978026.db2.gz PNEACBRZEAPQIL-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO CC(C)(C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000602869114 348039188 /nfs/dbraw/zinc/03/91/88/348039188.db2.gz HSGRBJVTUTXRQE-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C)CC[NH+]1CCC(N2CCCCC2)CC1 ZINC000602869114 348039189 /nfs/dbraw/zinc/03/91/89/348039189.db2.gz HSGRBJVTUTXRQE-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccnc1 ZINC000624121786 349980596 /nfs/dbraw/zinc/98/05/96/349980596.db2.gz CXGOKBJIYDUMJF-DOTOQJQBSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123668 349982412 /nfs/dbraw/zinc/98/24/12/349982412.db2.gz QFKLJGSKLQOHKM-SJLPKXTDSA-N 1 3 289.467 3.114 20 0 CGADHO C[N@H+](CCCCCOc1ccccc1)[C@H]1CCCNCC1 ZINC000339406450 215150196 /nfs/dbraw/zinc/15/01/96/215150196.db2.gz IEZHVRJUOGKZCS-KRWDZBQOSA-N 1 3 290.451 3.310 20 0 CGADHO C[N@@H+](CCCCCOc1ccccc1)[C@H]1CCCNCC1 ZINC000339406450 215150199 /nfs/dbraw/zinc/15/01/99/215150199.db2.gz IEZHVRJUOGKZCS-KRWDZBQOSA-N 1 3 290.451 3.310 20 0 CGADHO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123596 349982929 /nfs/dbraw/zinc/98/29/29/349982929.db2.gz OTLKRZCRALSNGX-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123667 349983043 /nfs/dbraw/zinc/98/30/43/349983043.db2.gz QFKLJGSKLQOHKM-FUHWJXTLSA-N 1 3 289.467 3.114 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)CN(C)C ZINC000339409385 215151690 /nfs/dbraw/zinc/15/16/90/215151690.db2.gz LSJDYILHOJFRMX-AWEZNQCLSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000352024145 219292084 /nfs/dbraw/zinc/29/20/84/219292084.db2.gz DMVMZRPSBWTPBA-HNNXBMFYSA-N 1 3 298.430 3.175 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000628425131 350535846 /nfs/dbraw/zinc/53/58/46/350535846.db2.gz BAQWCBYVYIJNIV-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537704 350706110 /nfs/dbraw/zinc/70/61/10/350706110.db2.gz KPKLWEXRUGJMQU-COXVUDFISA-N 1 3 278.415 3.123 20 0 CGADHO CC(C)(C)C[C@@H](NCCOCCC[NH3+])c1ccc(F)cc1 ZINC000629537104 350706165 /nfs/dbraw/zinc/70/61/65/350706165.db2.gz IXRIRHCKVFHSNX-MRXNPFEDSA-N 1 3 296.430 3.258 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CC[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542668 350707433 /nfs/dbraw/zinc/70/74/33/350707433.db2.gz INYQOLHNTMSZPV-BGTYHANMSA-N 1 3 272.436 3.128 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631576423 351074209 /nfs/dbraw/zinc/07/42/09/351074209.db2.gz AECHUKNJKOMSIF-YJBOKZPZSA-N 1 3 287.451 3.169 20 0 CGADHO C([NH2+]C1CCN(CC2CCCCCC2)CC1)C1CC1 ZINC000130173291 187475269 /nfs/dbraw/zinc/47/52/69/187475269.db2.gz JWQREKNAOFPNAA-UHFFFAOYSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000634683533 351569946 /nfs/dbraw/zinc/56/99/46/351569946.db2.gz SVFNHCGPWFQMRU-HRCADAONSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](Cc1ccsc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733081 351577851 /nfs/dbraw/zinc/57/78/51/351577851.db2.gz WWTSYCNJKSGAOY-TZMCWYRMSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733081 351577854 /nfs/dbraw/zinc/57/78/54/351577854.db2.gz WWTSYCNJKSGAOY-TZMCWYRMSA-N 1 3 266.454 3.047 20 0 CGADHO Cc1ccc2cc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)ccc2n1 ZINC000634733803 351579980 /nfs/dbraw/zinc/57/99/80/351579980.db2.gz ONAMCHMHBNJQCR-QGZVFWFLSA-N 1 3 297.446 3.411 20 0 CGADHO N[C@@H](CC[NH2+][C@H]1CCc2ccccc2C1)Cc1ccccc1 ZINC000635006838 351624466 /nfs/dbraw/zinc/62/44/66/351624466.db2.gz TXHGFUJXGIZFMB-PMACEKPBSA-N 1 3 294.442 3.094 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCCC23CCC3)c2c(c1)CNCC2 ZINC000635006289 351624514 /nfs/dbraw/zinc/62/45/14/351624514.db2.gz BNWNVHNBJJHARX-QGZVFWFLSA-N 1 3 270.420 3.145 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006815 351624590 /nfs/dbraw/zinc/62/45/90/351624590.db2.gz MWKWHETYKKGYLS-TZMCWYRMSA-N 1 3 288.357 3.267 20 0 CGADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1F ZINC000635009323 351627477 /nfs/dbraw/zinc/62/74/77/351627477.db2.gz XVCGVDGURKTCIL-NQBHXWOUSA-N 1 3 268.351 3.133 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000635012643 351630780 /nfs/dbraw/zinc/63/07/80/351630780.db2.gz UXGLLNRUMQZGEC-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO CCCC[C@@H](COC)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123673938 187104570 /nfs/dbraw/zinc/10/45/70/187104570.db2.gz IEBHSFVBMFVQFT-KRWDZBQOSA-N 1 3 278.440 3.043 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000339905513 215390028 /nfs/dbraw/zinc/39/00/28/215390028.db2.gz LUCPVNNOYDELBW-GOSISDBHSA-N 1 3 272.436 3.159 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000339905513 215390030 /nfs/dbraw/zinc/39/00/30/215390030.db2.gz LUCPVNNOYDELBW-GOSISDBHSA-N 1 3 272.436 3.159 20 0 CGADHO CC(C)(Cc1ccccc1Cl)[NH2+]C[C@H]1CCCNC1 ZINC000469974545 535192032 /nfs/dbraw/zinc/19/20/32/535192032.db2.gz GOQYAFBKKFFAFC-ZDUSSCGKSA-N 1 3 280.843 3.250 20 0 CGADHO CC(C)(Cc1ccccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000469974545 535192037 /nfs/dbraw/zinc/19/20/37/535192037.db2.gz GOQYAFBKKFFAFC-ZDUSSCGKSA-N 1 3 280.843 3.250 20 0 CGADHO Cc1ccnc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000367616970 234235257 /nfs/dbraw/zinc/23/52/57/234235257.db2.gz MSBCXMGMYWHSPB-HNSVSWJLSA-N 1 3 273.424 3.056 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423297927 295892397 /nfs/dbraw/zinc/89/23/97/295892397.db2.gz MLVILKONXSDLDF-LRDDRELGSA-N 1 3 264.388 3.241 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000271831452 191353827 /nfs/dbraw/zinc/35/38/27/191353827.db2.gz DWHKQFVLSQHNHC-SFHVURJKSA-N 1 3 272.436 3.249 20 0 CGADHO COCc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000125546513 138383233 /nfs/dbraw/zinc/38/32/33/138383233.db2.gz FGXCTSMLWVEHTD-HNNXBMFYSA-N 1 3 294.439 3.028 20 0 CGADHO COCc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000125546513 138383234 /nfs/dbraw/zinc/38/32/34/138383234.db2.gz FGXCTSMLWVEHTD-HNNXBMFYSA-N 1 3 294.439 3.028 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000422964947 235949484 /nfs/dbraw/zinc/94/94/84/235949484.db2.gz NIZJTMKPKOVVFU-STQMWFEESA-N 1 3 287.407 3.114 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423126867 235978330 /nfs/dbraw/zinc/97/83/30/235978330.db2.gz JEYCMDDPTPQZLR-BZSNNMDCSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000423090101 235971085 /nfs/dbraw/zinc/97/10/85/235971085.db2.gz WVNQQFGYDCAVEP-JLZZUVOBSA-N 1 3 276.399 3.181 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423225315 236000582 /nfs/dbraw/zinc/00/05/82/236000582.db2.gz MGFMFTSBNIYODC-XWLWVQCSSA-N 1 3 272.845 3.220 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423225315 236000584 /nfs/dbraw/zinc/00/05/84/236000584.db2.gz MGFMFTSBNIYODC-XWLWVQCSSA-N 1 3 272.845 3.220 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCC[C@H]1CCC[NH2+]C1 ZINC000423264364 236013843 /nfs/dbraw/zinc/01/38/43/236013843.db2.gz YJPVQIWGCSKIID-QWHCGFSZSA-N 1 3 296.842 3.389 20 0 CGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423334612 236041841 /nfs/dbraw/zinc/04/18/41/236041841.db2.gz FTMJZUHYVGHCJH-LLVKDONJSA-N 1 3 293.480 3.319 20 0 CGADHO Cc1ccc(OC(F)F)c([C@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423348774 236046574 /nfs/dbraw/zinc/04/65/74/236046574.db2.gz UXIBKZXVXOWDCX-LBPRGKRZSA-N 1 3 296.361 3.167 20 0 CGADHO COc1cccc(C[C@H]([NH2+][C@@H](C)[C@@H](C)N)c2ccccc2)c1 ZINC000423440930 236070999 /nfs/dbraw/zinc/07/09/99/236070999.db2.gz ISNLNBIALRFUGC-VCBZYWHSSA-N 1 3 298.430 3.304 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@H]1C ZINC000423460830 236076355 /nfs/dbraw/zinc/07/63/55/236076355.db2.gz BMWSKSDEKAXEDP-FUCBWJFKSA-N 1 3 290.426 3.153 20 0 CGADHO Cc1cc([C@@H](C)NCCC[C@@H]2CCC[NH2+]2)oc1C ZINC000423479627 236082296 /nfs/dbraw/zinc/08/22/96/236082296.db2.gz MHFNICYKIYUUKY-TZMCWYRMSA-N 1 3 250.386 3.079 20 0 CGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@@H]1CC1(C)C ZINC000423532653 299282245 /nfs/dbraw/zinc/28/22/45/299282245.db2.gz VOJWHPZSEZQQDN-YEAFPTKASA-N 1 3 276.468 3.164 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000156461195 299289527 /nfs/dbraw/zinc/28/95/27/299289527.db2.gz JFZOXKHAPUYHAS-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000156461195 299289531 /nfs/dbraw/zinc/28/95/31/299289531.db2.gz JFZOXKHAPUYHAS-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cncc(F)c1 ZINC000157941864 299289571 /nfs/dbraw/zinc/28/95/71/299289571.db2.gz YXMGZVKKHYIWSF-CABCVRRESA-N 1 3 293.430 3.383 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cncc(F)c1 ZINC000157941864 299289576 /nfs/dbraw/zinc/28/95/76/299289576.db2.gz YXMGZVKKHYIWSF-CABCVRRESA-N 1 3 293.430 3.383 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422912279 283513418 /nfs/dbraw/zinc/51/34/18/283513418.db2.gz VTOBIZOFKPDUHU-CJNGLKHVSA-N 1 3 292.854 3.479 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000414798269 283518028 /nfs/dbraw/zinc/51/80/28/283518028.db2.gz QAACCWQEAGTOES-NOZJJQNGSA-N 1 3 290.304 3.062 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000177299081 189042860 /nfs/dbraw/zinc/04/28/60/189042860.db2.gz ZVTDWFUGOIXPFA-JKSUJKDBSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000178362134 189109951 /nfs/dbraw/zinc/10/99/51/189109951.db2.gz VESCNSBHGFNEHC-KGLIPLIRSA-N 1 3 276.424 3.076 20 0 CGADHO CC(C)Oc1ccccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342095691 216216134 /nfs/dbraw/zinc/21/61/34/216216134.db2.gz YQWOIHYOSQOSNW-UAGQMJEPSA-N 1 3 288.435 3.033 20 0 CGADHO CCOc1cccc2cc([C@H](C)[NH2+]CCCN(C)C)oc21 ZINC000181392821 189295667 /nfs/dbraw/zinc/29/56/67/189295667.db2.gz ILVNQCHACOGCIG-ZDUSSCGKSA-N 1 3 290.407 3.434 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)c1cccc(CO)c1)N1CCCCC1 ZINC000184500970 189387783 /nfs/dbraw/zinc/38/77/83/189387783.db2.gz GRVGHEMULRNDPL-HZPDHXFCSA-N 1 3 290.451 3.094 20 0 CGADHO c1cc2cccc(C[N@H+]3CC[C@@H](CN4CCCC4)C3)c2o1 ZINC000449026821 239124082 /nfs/dbraw/zinc/12/40/82/239124082.db2.gz GTGBFIKNLJCBBG-HNNXBMFYSA-N 1 3 284.403 3.351 20 0 CGADHO c1cc2cccc(C[N@@H+]3CC[C@@H](CN4CCCC4)C3)c2o1 ZINC000449026821 239124084 /nfs/dbraw/zinc/12/40/84/239124084.db2.gz GTGBFIKNLJCBBG-HNNXBMFYSA-N 1 3 284.403 3.351 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc2cccnc21 ZINC000120511679 370775561 /nfs/dbraw/zinc/77/55/61/370775561.db2.gz FLPFIKSVYYIZOP-JKIFEVAISA-N 1 3 283.419 3.053 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc2cccnc21 ZINC000120511679 370775566 /nfs/dbraw/zinc/77/55/66/370775566.db2.gz FLPFIKSVYYIZOP-JKIFEVAISA-N 1 3 283.419 3.053 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120533816 370778829 /nfs/dbraw/zinc/77/88/29/370778829.db2.gz UGNRRFWFVMFVDH-MBNYWOFBSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120533816 370778834 /nfs/dbraw/zinc/77/88/34/370778834.db2.gz UGNRRFWFVMFVDH-MBNYWOFBSA-N 1 3 298.377 3.421 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675490 193102302 /nfs/dbraw/zinc/10/23/02/193102302.db2.gz GOWDRGYWVMYACG-LSDHHAIUSA-N 1 3 278.415 3.203 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675490 193102303 /nfs/dbraw/zinc/10/23/03/193102303.db2.gz GOWDRGYWVMYACG-LSDHHAIUSA-N 1 3 278.415 3.203 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404384 370858638 /nfs/dbraw/zinc/85/86/38/370858638.db2.gz POLOAIHAZJRPTP-PBHICJAKSA-N 1 3 278.415 3.030 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404384 370858641 /nfs/dbraw/zinc/85/86/41/370858641.db2.gz POLOAIHAZJRPTP-PBHICJAKSA-N 1 3 278.415 3.030 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000459738053 242201739 /nfs/dbraw/zinc/20/17/39/242201739.db2.gz XIGNKXNLFRMDKS-NQZOLGFYSA-N 1 3 276.399 3.002 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000459738053 242201743 /nfs/dbraw/zinc/20/17/43/242201743.db2.gz XIGNKXNLFRMDKS-NQZOLGFYSA-N 1 3 276.399 3.002 20 0 CGADHO Fc1ccc(C2CC(N[C@@H]3CCC[NH2+]CC3)C2)cc1Cl ZINC000335498509 212178050 /nfs/dbraw/zinc/17/80/50/212178050.db2.gz NYBFPNXYWLRGSD-ROKHWSDSSA-N 1 3 296.817 3.457 20 0 CGADHO Fc1ccc(C2CC([NH2+][C@@H]3CCCNCC3)C2)cc1Cl ZINC000335498509 212178052 /nfs/dbraw/zinc/17/80/52/212178052.db2.gz NYBFPNXYWLRGSD-ROKHWSDSSA-N 1 3 296.817 3.457 20 0 CGADHO Fc1ccc(C2CC([NH2+]C3CCNCC3)C2)cc1Cl ZINC000335498115 212177446 /nfs/dbraw/zinc/17/74/46/212177446.db2.gz CYJHAPJKFZOWOD-UHFFFAOYSA-N 1 3 282.790 3.067 20 0 CGADHO Fc1ccc(C2CC(NC3CC[NH2+]CC3)C2)cc1Cl ZINC000335498115 212177448 /nfs/dbraw/zinc/17/74/48/212177448.db2.gz CYJHAPJKFZOWOD-UHFFFAOYSA-N 1 3 282.790 3.067 20 0 CGADHO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)CN1CCCC1 ZINC000481314311 243186655 /nfs/dbraw/zinc/18/66/55/243186655.db2.gz BANGCIOZMWXELB-LPHOPBHVSA-N 1 3 286.463 3.329 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1F ZINC000340472232 296121977 /nfs/dbraw/zinc/12/19/77/296121977.db2.gz HIOWMZWIKLFJRO-LSDHHAIUSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1F ZINC000340472232 296121978 /nfs/dbraw/zinc/12/19/78/296121978.db2.gz HIOWMZWIKLFJRO-LSDHHAIUSA-N 1 3 293.430 3.383 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000483306938 243275127 /nfs/dbraw/zinc/27/51/27/243275127.db2.gz VEZHBSBEEJNWEK-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000032181761 368929056 /nfs/dbraw/zinc/92/90/56/368929056.db2.gz ZPCLLMZNUWNZQP-MRXNPFEDSA-N 1 3 298.430 3.478 20 0 CGADHO CCc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000035009793 368987979 /nfs/dbraw/zinc/98/79/79/368987979.db2.gz WBSSNLWNVXNEQB-CQSZACIVSA-N 1 3 260.425 3.384 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649172 369094590 /nfs/dbraw/zinc/09/45/90/369094590.db2.gz OSAGBIACIPGEEJ-CXAGYDPISA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649172 369094596 /nfs/dbraw/zinc/09/45/96/369094596.db2.gz OSAGBIACIPGEEJ-CXAGYDPISA-N 1 3 276.399 3.351 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000037644268 369095653 /nfs/dbraw/zinc/09/56/53/369095653.db2.gz ZAVWSAUICJGUBU-STQMWFEESA-N 1 3 298.377 3.280 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000492817498 244030647 /nfs/dbraw/zinc/03/06/47/244030647.db2.gz KNIVZBLKISHDGV-OWCLPIDISA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](c1ccccc1F)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014533 369613667 /nfs/dbraw/zinc/61/36/67/369613667.db2.gz YZUFKTITFLLNSR-KBPBESRZSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000062077510 369618190 /nfs/dbraw/zinc/61/81/90/369618190.db2.gz BVBFDJNAAURXCK-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccccc1 ZINC000062077510 369618192 /nfs/dbraw/zinc/61/81/92/369618192.db2.gz BVBFDJNAAURXCK-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO Cc1cc([C@H](C)NCC2(C)CC[NH+](C)CC2)c(C)o1 ZINC000219297100 376198613 /nfs/dbraw/zinc/19/86/13/376198613.db2.gz DALNMQRIDLCRNJ-ZDUSSCGKSA-N 1 3 264.413 3.279 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)CN1CCCC1 ZINC000081625367 369998075 /nfs/dbraw/zinc/99/80/75/369998075.db2.gz WWHZOWZYLPTTTH-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO COCCCCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103227498 370321489 /nfs/dbraw/zinc/32/14/89/370321489.db2.gz JLCINXIGTBAXMI-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO COCCCCC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000103227498 370321493 /nfs/dbraw/zinc/32/14/93/370321493.db2.gz JLCINXIGTBAXMI-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO COCCCCC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000103227498 370321499 /nfs/dbraw/zinc/32/14/99/370321499.db2.gz JLCINXIGTBAXMI-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000339086062 296157489 /nfs/dbraw/zinc/15/74/89/296157489.db2.gz VVSGEMHFNWTVBZ-ZHCJQAHYSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129719747 370997723 /nfs/dbraw/zinc/99/77/23/370997723.db2.gz VZJCGQFUQPMVAJ-ANQUJSFKSA-N 1 3 292.492 3.486 20 0 CGADHO C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129719747 370997725 /nfs/dbraw/zinc/99/77/25/370997725.db2.gz VZJCGQFUQPMVAJ-ANQUJSFKSA-N 1 3 292.492 3.486 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccccc1N(C)C ZINC000093946618 296163706 /nfs/dbraw/zinc/16/37/06/296163706.db2.gz LLOBBRSVQCWDKN-PMPSAXMXSA-N 1 3 289.467 3.276 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000131222661 371090678 /nfs/dbraw/zinc/09/06/78/371090678.db2.gz SNGFUMSSASJEBG-HNNXBMFYSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccccn1 ZINC000132108103 371151484 /nfs/dbraw/zinc/15/14/84/371151484.db2.gz QKOPNLZQPKBIGG-MRXNPFEDSA-N 1 3 277.456 3.346 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+]CC(C)(C)CN(C)C)CCC2 ZINC000132158537 371156845 /nfs/dbraw/zinc/15/68/45/371156845.db2.gz MHODEFFSVLFEDL-GFCCVEGCSA-N 1 3 281.469 3.006 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000134409540 371333476 /nfs/dbraw/zinc/33/34/76/371333476.db2.gz PAIOEXPHFZXEFU-YOEHRIQHSA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000134409540 371333482 /nfs/dbraw/zinc/33/34/82/371333482.db2.gz PAIOEXPHFZXEFU-YOEHRIQHSA-N 1 3 260.425 3.240 20 0 CGADHO COc1ccc([C@@H]([NH2+]CCCN(C)C)C(C)C)c(F)c1 ZINC000421801844 371636889 /nfs/dbraw/zinc/63/68/89/371636889.db2.gz LURVOHYNEPMTJW-INIZCTEOSA-N 1 3 282.403 3.073 20 0 CGADHO COC1([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)CCCC1 ZINC000421835790 371659819 /nfs/dbraw/zinc/65/98/19/371659819.db2.gz FXPBBZNTHSEEMB-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)CCCC1 ZINC000421835790 371659825 /nfs/dbraw/zinc/65/98/25/371659825.db2.gz FXPBBZNTHSEEMB-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118036 371750939 /nfs/dbraw/zinc/75/09/39/371750939.db2.gz DGMOKJQLEQOMCR-RDTXWAMCSA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118036 371750942 /nfs/dbraw/zinc/75/09/42/371750942.db2.gz DGMOKJQLEQOMCR-RDTXWAMCSA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118036 371750945 /nfs/dbraw/zinc/75/09/45/371750945.db2.gz DGMOKJQLEQOMCR-RDTXWAMCSA-N 1 3 297.446 3.477 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422691736 371756405 /nfs/dbraw/zinc/75/64/05/371756405.db2.gz IWCOOIASXRMZKA-YJBOKZPZSA-N 1 3 290.451 3.091 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422690852 371757440 /nfs/dbraw/zinc/75/74/40/371757440.db2.gz HAWDMKNUZMXFIZ-RCCFBDPRSA-N 1 3 272.436 3.314 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422711678 371764338 /nfs/dbraw/zinc/76/43/38/371764338.db2.gz NIEDEDFOUFOYCY-WBVHZDCISA-N 1 3 282.472 3.223 20 0 CGADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1ccc(F)cc1F ZINC000422749160 371782431 /nfs/dbraw/zinc/78/24/31/371782431.db2.gz XVCGVDGURKTCIL-XSRFYTQQSA-N 1 3 268.351 3.133 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@@H]1CCC[N@H+](C)C1 ZINC000153698359 371782651 /nfs/dbraw/zinc/78/26/51/371782651.db2.gz OFRMAVAHKZWZLL-VYDXJSESSA-N 1 3 272.436 3.475 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000153698359 371782654 /nfs/dbraw/zinc/78/26/54/371782654.db2.gz OFRMAVAHKZWZLL-VYDXJSESSA-N 1 3 272.436 3.475 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCSc1ccc(F)cc1 ZINC000422751509 371785065 /nfs/dbraw/zinc/78/50/65/371785065.db2.gz CUZRZGCGVXDPSE-NEPJUHHUSA-N 1 3 270.417 3.023 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCCSc1ccc(F)cc1 ZINC000422751509 371785071 /nfs/dbraw/zinc/78/50/71/371785071.db2.gz CUZRZGCGVXDPSE-NEPJUHHUSA-N 1 3 270.417 3.023 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422757557 371787017 /nfs/dbraw/zinc/78/70/17/371787017.db2.gz JQLUVSZOXIATCI-CJNGLKHVSA-N 1 3 296.455 3.286 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1cccc(Cl)c1 ZINC000422761164 371789936 /nfs/dbraw/zinc/78/99/36/371789936.db2.gz LNZUEAZSLHWXJP-HUUCEWRRSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@H](NCC1(c2cccc(Cl)c2)CCCC1)C1C[NH2+]C1 ZINC000422767886 371795268 /nfs/dbraw/zinc/79/52/68/371795268.db2.gz SOMUEBFEBGPDAL-ZDUSSCGKSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCCC1)C1CNC1 ZINC000422767886 371795274 /nfs/dbraw/zinc/79/52/74/371795274.db2.gz SOMUEBFEBGPDAL-ZDUSSCGKSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCSCc1ccccc1F ZINC000422773533 371797457 /nfs/dbraw/zinc/79/74/57/371797457.db2.gz UIZCQZHKGUUYDW-CZUORRHYSA-N 1 3 296.455 3.037 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422773533 371797461 /nfs/dbraw/zinc/79/74/61/371797461.db2.gz UIZCQZHKGUUYDW-CZUORRHYSA-N 1 3 296.455 3.037 20 0 CGADHO COc1ccc([C@H](C)CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422780538 371804141 /nfs/dbraw/zinc/80/41/41/371804141.db2.gz KGPFUHLAQBLUAK-KTFSGNIMSA-N 1 3 288.435 3.061 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000422787655 371809426 /nfs/dbraw/zinc/80/94/26/371809426.db2.gz UTUNIVKEFIWMBV-YQQAZPJKSA-N 1 3 260.425 3.342 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422796996 371816015 /nfs/dbraw/zinc/81/60/15/371816015.db2.gz KVJLSPHGWVEMRS-GVRJEKJASA-N 1 3 250.430 3.062 20 0 CGADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422803635 371819054 /nfs/dbraw/zinc/81/90/54/371819054.db2.gz DCZCDOKEGSFFPU-BRWVUGGUSA-N 1 3 296.499 3.076 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000422806178 371821401 /nfs/dbraw/zinc/82/14/01/371821401.db2.gz MVXIDBMINFDIHM-AXFHLTTASA-N 1 3 274.330 3.482 20 0 CGADHO COc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])c(Cl)c1 ZINC000422886436 371853701 /nfs/dbraw/zinc/85/37/01/371853701.db2.gz IZHNFRREWGFNOW-HZPDHXFCSA-N 1 3 296.842 3.141 20 0 CGADHO C[C@@H](N[C@@H](C)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000036952715 541860156 /nfs/dbraw/zinc/86/01/56/541860156.db2.gz PSJRNZDUXIPNBV-NEPJUHHUSA-N 1 3 282.378 3.346 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(Sc2ccccc2)CC1 ZINC000422910850 371862916 /nfs/dbraw/zinc/86/29/16/371862916.db2.gz RPUZRSJYXRJUMY-OLZOCXBDSA-N 1 3 264.438 3.027 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1ccccc1Cl ZINC000422918728 371869131 /nfs/dbraw/zinc/86/91/31/371869131.db2.gz IMPWEENZYQZDAG-UMVBOHGHSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1Cl ZINC000422918728 371869138 /nfs/dbraw/zinc/86/91/38/371869138.db2.gz IMPWEENZYQZDAG-UMVBOHGHSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000422946250 371884442 /nfs/dbraw/zinc/88/44/42/371884442.db2.gz OMZDAZBLIVRBJQ-PKFCDNJMSA-N 1 3 252.789 3.043 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847653 371838105 /nfs/dbraw/zinc/83/81/05/371838105.db2.gz IPPSEKRLNGZHMY-MSOLQXFVSA-N 1 3 288.435 3.368 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC(C)(C)c1ccccc1F ZINC000422849947 371839187 /nfs/dbraw/zinc/83/91/87/371839187.db2.gz MPRVGRJSGNMTFK-CZUORRHYSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000422849947 371839190 /nfs/dbraw/zinc/83/91/90/371839190.db2.gz MPRVGRJSGNMTFK-CZUORRHYSA-N 1 3 278.415 3.081 20 0 CGADHO Cc1cccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422846142 371839247 /nfs/dbraw/zinc/83/92/47/371839247.db2.gz PGDVNIWMTQBLCC-CQSZACIVSA-N 1 3 283.419 3.050 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2c(F)cccc2F)CCCC1 ZINC000422849111 371839321 /nfs/dbraw/zinc/83/93/21/371839321.db2.gz ULNCXQWSEMKMRJ-STQMWFEESA-N 1 3 296.405 3.492 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422849111 371839323 /nfs/dbraw/zinc/83/93/23/371839323.db2.gz ULNCXQWSEMKMRJ-STQMWFEESA-N 1 3 296.405 3.492 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000422853303 371841168 /nfs/dbraw/zinc/84/11/68/371841168.db2.gz YXVSHJSIJDEJLQ-BPNCWPANSA-N 1 3 280.412 3.080 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423050911 371935865 /nfs/dbraw/zinc/93/58/65/371935865.db2.gz MHGKKZLEOMBLAI-GUYCJALGSA-N 1 3 296.405 3.265 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422990246 371906614 /nfs/dbraw/zinc/90/66/14/371906614.db2.gz MZESDSCLYMXFAT-BYNSBNAKSA-N 1 3 286.410 3.465 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000422990246 371906619 /nfs/dbraw/zinc/90/66/19/371906619.db2.gz MZESDSCLYMXFAT-BYNSBNAKSA-N 1 3 286.410 3.465 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422997256 371907263 /nfs/dbraw/zinc/90/72/63/371907263.db2.gz UTQCODQDOAPODP-RDJZCZTQSA-N 1 3 290.426 3.256 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H](C)C[C@@H](C)[NH3+] ZINC000422997399 371908556 /nfs/dbraw/zinc/90/85/56/371908556.db2.gz OAUHPQQUNLKWDN-XLMAVXFVSA-N 1 3 290.451 3.400 20 0 CGADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423002699 371910146 /nfs/dbraw/zinc/91/01/46/371910146.db2.gz ZHCKNAXJMHPYKE-UOVPBQLFSA-N 1 3 290.451 3.400 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](c1ccccc1)C(F)(F)F ZINC000423065650 371944068 /nfs/dbraw/zinc/94/40/68/371944068.db2.gz VEWMRNRTKQTSKB-BFHYXJOUSA-N 1 3 286.341 3.050 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423033981 371926364 /nfs/dbraw/zinc/92/63/64/371926364.db2.gz ZZMHWXTUGGVBKJ-MNOVXSKESA-N 1 3 284.806 3.226 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033981 371926369 /nfs/dbraw/zinc/92/63/69/371926369.db2.gz ZZMHWXTUGGVBKJ-MNOVXSKESA-N 1 3 284.806 3.226 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423046685 371930867 /nfs/dbraw/zinc/93/08/67/371930867.db2.gz FAFJKDYKAMVXOF-CJNGLKHVSA-N 1 3 282.378 3.005 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423048752 371933068 /nfs/dbraw/zinc/93/30/68/371933068.db2.gz IQUMXGKEJOBKCG-RDBSUJKOSA-N 1 3 266.454 3.191 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1cccc(Cl)c1F ZINC000423049289 371933205 /nfs/dbraw/zinc/93/32/05/371933205.db2.gz JVCXOTCUNIGTGI-SMDDNHRTSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1F ZINC000423049289 371933210 /nfs/dbraw/zinc/93/32/10/371933210.db2.gz JVCXOTCUNIGTGI-SMDDNHRTSA-N 1 3 298.833 3.474 20 0 CGADHO Fc1ccccc1[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423092888 371959121 /nfs/dbraw/zinc/95/91/21/371959121.db2.gz DTROLCROSCKROI-JPIQDLEPSA-N 1 3 288.410 3.334 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095826 371961337 /nfs/dbraw/zinc/96/13/37/371961337.db2.gz NDITUPHYXMMFPC-ZPUIDXCVSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095826 371961342 /nfs/dbraw/zinc/96/13/42/371961342.db2.gz NDITUPHYXMMFPC-ZPUIDXCVSA-N 1 3 294.389 3.189 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423096211 371961508 /nfs/dbraw/zinc/96/15/08/371961508.db2.gz HHYQKJAJGWZFAU-JOCBIADPSA-N 1 3 272.436 3.491 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423098886 371963769 /nfs/dbraw/zinc/96/37/69/371963769.db2.gz SUGJXKIYWXUEGR-OTRWWLKZSA-N 1 3 276.399 3.179 20 0 CGADHO CSc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000423103096 371966086 /nfs/dbraw/zinc/96/60/86/371966086.db2.gz XNPCTLAINJASLK-HOCLYGCPSA-N 1 3 278.465 3.058 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423106953 371969388 /nfs/dbraw/zinc/96/93/88/371969388.db2.gz RWLUTQMFRAGAFW-OVWQWFNUSA-N 1 3 272.436 3.348 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCC23CCOCC3)c2ccccc21 ZINC000423107796 371970511 /nfs/dbraw/zinc/97/05/11/371970511.db2.gz FFKVRQCOUGOAMW-IKGGRYGDSA-N 1 3 286.419 3.070 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173019 372001808 /nfs/dbraw/zinc/00/18/08/372001808.db2.gz WQLODFMZIQXHMM-HKCMKHECSA-N 1 3 296.817 3.442 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173019 372001811 /nfs/dbraw/zinc/00/18/11/372001811.db2.gz WQLODFMZIQXHMM-HKCMKHECSA-N 1 3 296.817 3.442 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000423136297 371985402 /nfs/dbraw/zinc/98/54/02/371985402.db2.gz OZHGWIFMCBJBBW-BFHYXJOUSA-N 1 3 286.341 3.192 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000156576485 371986003 /nfs/dbraw/zinc/98/60/03/371986003.db2.gz SORGABBTIRHDGD-DHSIGJKJSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000156576485 371986004 /nfs/dbraw/zinc/98/60/04/371986004.db2.gz SORGABBTIRHDGD-DHSIGJKJSA-N 1 3 288.435 3.145 20 0 CGADHO COCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCC1 ZINC000423140684 371988702 /nfs/dbraw/zinc/98/87/02/371988702.db2.gz ZDEFJNTVMCTNAE-YESZJQIVSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCCC[C@H]3CN)CC2)c(C)c1 ZINC000423143486 371989318 /nfs/dbraw/zinc/98/93/18/371989318.db2.gz DFNZLJKPPNCROF-WMZOPIPTSA-N 1 3 286.463 3.442 20 0 CGADHO Cc1ccc(C2(CN[C@@H](C)C[C@H](C)[NH3+])CC2)c(C)c1 ZINC000423144730 371991111 /nfs/dbraw/zinc/99/11/11/371991111.db2.gz HUGXPAKYSRVKOE-GJZGRUSLSA-N 1 3 260.425 3.050 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H](C)C[C@H](C)N)CC2)c(C)c1 ZINC000423144730 371991116 /nfs/dbraw/zinc/99/11/16/371991116.db2.gz HUGXPAKYSRVKOE-GJZGRUSLSA-N 1 3 260.425 3.050 20 0 CGADHO Clc1ccccc1[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423145358 371991252 /nfs/dbraw/zinc/99/12/52/371991252.db2.gz KIXIYGVAWCJLRG-KWIKQGISSA-N 1 3 290.838 3.459 20 0 CGADHO FC1(F)CC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000423165794 371998223 /nfs/dbraw/zinc/99/82/23/371998223.db2.gz QIXMNCMTTPEFLQ-SOUVJXGZSA-N 1 3 286.410 3.322 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167721 371999960 /nfs/dbraw/zinc/99/99/60/371999960.db2.gz FPZQUXRDHQXREX-CHWSQXEVSA-N 1 3 280.843 3.378 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423167721 371999969 /nfs/dbraw/zinc/99/99/69/371999969.db2.gz FPZQUXRDHQXREX-CHWSQXEVSA-N 1 3 280.843 3.378 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169951 372000152 /nfs/dbraw/zinc/00/01/52/372000152.db2.gz KRHUYPJFKDCGGF-XYHOJCAOSA-N 1 3 282.790 3.052 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169951 372000155 /nfs/dbraw/zinc/00/01/55/372000155.db2.gz KRHUYPJFKDCGGF-XYHOJCAOSA-N 1 3 282.790 3.052 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423089793 371955810 /nfs/dbraw/zinc/95/58/10/371955810.db2.gz WAPZURVWFRIMBK-KCMWZYNZSA-N 1 3 290.426 3.440 20 0 CGADHO CNCCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423201459 372024609 /nfs/dbraw/zinc/02/46/09/372024609.db2.gz OUQZCFMRUXMQFB-GOEBONIOSA-N 1 3 294.414 3.060 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423201459 372024615 /nfs/dbraw/zinc/02/46/15/372024615.db2.gz OUQZCFMRUXMQFB-GOEBONIOSA-N 1 3 294.414 3.060 20 0 CGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@H]1CCNC1 ZINC000423201581 372025257 /nfs/dbraw/zinc/02/52/57/372025257.db2.gz JAHBAMLINKKLIW-HOTGVXAUSA-N 1 3 280.843 3.249 20 0 CGADHO CC(C)CC[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423204469 372028822 /nfs/dbraw/zinc/02/88/22/372028822.db2.gz AWJXMIKYJXEDCV-UIJGJVKASA-N 1 3 264.457 3.464 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423332922 372052851 /nfs/dbraw/zinc/05/28/51/372052851.db2.gz HMDFPVMRWWPICH-QZTJIDSGSA-N 1 3 292.442 3.372 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCC1 ZINC000423339102 372053560 /nfs/dbraw/zinc/05/35/60/372053560.db2.gz WKUPPBNJCZJDND-CQSZACIVSA-N 1 3 264.800 3.188 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1SC ZINC000425338257 372121608 /nfs/dbraw/zinc/12/16/08/372121608.db2.gz AXGFKKUASXTNBB-CAOSSQGBSA-N 1 3 284.513 3.371 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H]1SC ZINC000425338257 372121612 /nfs/dbraw/zinc/12/16/12/372121612.db2.gz AXGFKKUASXTNBB-CAOSSQGBSA-N 1 3 284.513 3.371 20 0 CGADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccccn1 ZINC000159157878 372110191 /nfs/dbraw/zinc/11/01/91/372110191.db2.gz ZBVNDLVWVPXSNY-ZFWWWQNUSA-N 1 3 263.429 3.099 20 0 CGADHO CC(C)CCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000429043742 372307205 /nfs/dbraw/zinc/30/72/05/372307205.db2.gz IGPRMMJKSQNYLS-IRXDYDNUSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccc(OC(F)F)cc1)CN(C)C ZINC000293259046 372339095 /nfs/dbraw/zinc/33/90/95/372339095.db2.gz BYOAGDDRARZSES-VXGBXAGGSA-N 1 3 286.366 3.136 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1cccn1C ZINC000161641714 372343818 /nfs/dbraw/zinc/34/38/18/372343818.db2.gz ZFKSJHICNGSDMG-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cccn1C ZINC000161641714 372343826 /nfs/dbraw/zinc/34/38/26/372343826.db2.gz ZFKSJHICNGSDMG-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+](C)CCCN1CCCC1 ZINC000162147090 372376198 /nfs/dbraw/zinc/37/61/98/372376198.db2.gz GVTKLRULEUIVMH-CQSZACIVSA-N 1 3 266.454 3.097 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+](C)CCCN1CCCC1 ZINC000162147090 372376200 /nfs/dbraw/zinc/37/62/00/372376200.db2.gz GVTKLRULEUIVMH-CQSZACIVSA-N 1 3 266.454 3.097 20 0 CGADHO CC(C)(C)c1cccc(OCCCN2CC[C@H](C[NH3+])C2)c1 ZINC000430965580 372411694 /nfs/dbraw/zinc/41/16/94/372411694.db2.gz KFOYZZYTRAVZJZ-OAHLLOKOSA-N 1 3 290.451 3.034 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431034160 372418379 /nfs/dbraw/zinc/41/83/79/372418379.db2.gz MMJOHUAELFASRY-INIZCTEOSA-N 1 3 294.389 3.491 20 0 CGADHO CCC[N@H+](CCOC1CCCCCC1)C1CCNCC1 ZINC000431086475 372425909 /nfs/dbraw/zinc/42/59/09/372425909.db2.gz TUKAHIOLZMCLKZ-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO CCC[N@@H+](CCOC1CCCCCC1)C1CCNCC1 ZINC000431086475 372425911 /nfs/dbraw/zinc/42/59/11/372425911.db2.gz TUKAHIOLZMCLKZ-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO CCCN(CCOC1CCCCCC1)C1CC[NH2+]CC1 ZINC000431086475 372425913 /nfs/dbraw/zinc/42/59/13/372425913.db2.gz TUKAHIOLZMCLKZ-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(C)CCCO3)CC2)C1 ZINC000167055282 372587383 /nfs/dbraw/zinc/58/73/83/372587383.db2.gz LDVGJYILTBBHST-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@]3(C)CCCO3)CC2)C1 ZINC000167055282 372587389 /nfs/dbraw/zinc/58/73/89/372587389.db2.gz LDVGJYILTBBHST-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2)o1 ZINC000435374880 372753884 /nfs/dbraw/zinc/75/38/84/372753884.db2.gz RXCDNXUHHJGGOP-KGLIPLIRSA-N 1 3 270.376 3.116 20 0 CGADHO CCN(Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435393478 372758902 /nfs/dbraw/zinc/75/89/02/372758902.db2.gz ZZLAOORFLRTJHX-OAHLLOKOSA-N 1 3 266.816 3.304 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCc2cccc3cnccc32)C1 ZINC000061125442 541882465 /nfs/dbraw/zinc/88/24/65/541882465.db2.gz MBFZFRYIWWNZIV-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCc2cccc3cnccc32)C1 ZINC000061125442 541882468 /nfs/dbraw/zinc/88/24/68/541882468.db2.gz MBFZFRYIWWNZIV-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125442 541882472 /nfs/dbraw/zinc/88/24/72/541882472.db2.gz MBFZFRYIWWNZIV-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000438180978 372906174 /nfs/dbraw/zinc/90/61/74/372906174.db2.gz QQQFUISDTNMBHC-DLBZAZTESA-N 1 3 290.451 3.308 20 0 CGADHO C[C@@H]1CCC[C@@H](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754234 373073413 /nfs/dbraw/zinc/07/34/13/373073413.db2.gz HVCSHRMPYUFZHM-VPEURPPWSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296458363 373140172 /nfs/dbraw/zinc/14/01/72/373140172.db2.gz NCBAASGWWMRHKP-PRICJXRYSA-N 1 3 270.420 3.450 20 0 CGADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458363 373140178 /nfs/dbraw/zinc/14/01/78/373140178.db2.gz NCBAASGWWMRHKP-PRICJXRYSA-N 1 3 270.420 3.450 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000173923477 373216447 /nfs/dbraw/zinc/21/64/47/373216447.db2.gz DWVPNXLAINNPFB-CVEARBPZSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000173923477 373216453 /nfs/dbraw/zinc/21/64/53/373216453.db2.gz DWVPNXLAINNPFB-CVEARBPZSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)C1CCC1 ZINC000297422956 373272400 /nfs/dbraw/zinc/27/24/00/373272400.db2.gz MOPYIVXYNRUBKQ-UHFFFAOYSA-N 1 3 287.451 3.466 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724169 373475763 /nfs/dbraw/zinc/47/57/63/373475763.db2.gz UIQIHGDWKZYYTG-WBVHZDCISA-N 1 3 290.451 3.308 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724169 373475769 /nfs/dbraw/zinc/47/57/69/373475769.db2.gz UIQIHGDWKZYYTG-WBVHZDCISA-N 1 3 290.451 3.308 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000300078577 373618245 /nfs/dbraw/zinc/61/82/45/373618245.db2.gz MBLWCMUHBLLFKB-LLLHUVSDSA-N 1 3 262.441 3.195 20 0 CGADHO CC(F)(F)CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449351779 373683594 /nfs/dbraw/zinc/68/35/94/373683594.db2.gz RIAXWUONJZAMCY-UHFFFAOYSA-N 1 3 262.388 3.274 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000178427146 373776780 /nfs/dbraw/zinc/77/67/80/373776780.db2.gz VGLGASVXXCNEOW-BQFCYCMXSA-N 1 3 294.483 3.046 20 0 CGADHO CCCc1csc(CNC(C)(C)CCC[NH+](C)C)n1 ZINC000449526511 373823430 /nfs/dbraw/zinc/82/34/30/373823430.db2.gz FAFTZGSBNAWYIC-UHFFFAOYSA-N 1 3 283.485 3.306 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449524609 373824088 /nfs/dbraw/zinc/82/40/88/373824088.db2.gz RVUUQQAWRNMAFD-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449524609 373824091 /nfs/dbraw/zinc/82/40/91/373824091.db2.gz RVUUQQAWRNMAFD-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000302534750 373891771 /nfs/dbraw/zinc/89/17/71/373891771.db2.gz DPEPJHUFFDCODI-GUTXKFCHSA-N 1 3 261.413 3.168 20 0 CGADHO Cc1cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000302534750 373891779 /nfs/dbraw/zinc/89/17/79/373891779.db2.gz DPEPJHUFFDCODI-GUTXKFCHSA-N 1 3 261.413 3.168 20 0 CGADHO CC(C)[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305099805 374068438 /nfs/dbraw/zinc/06/84/38/374068438.db2.gz AQXVUUZBKWMEED-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305099805 374068444 /nfs/dbraw/zinc/06/84/44/374068444.db2.gz AQXVUUZBKWMEED-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO CCSCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000305941400 374123364 /nfs/dbraw/zinc/12/33/64/374123364.db2.gz BFHQUWZZDKIZMH-ZIAGYGMSSA-N 1 3 258.475 3.030 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450448768 374135148 /nfs/dbraw/zinc/13/51/48/374135148.db2.gz DKZXDDGUTJWBQV-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448768 374135156 /nfs/dbraw/zinc/13/51/56/374135156.db2.gz DKZXDDGUTJWBQV-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448768 374135164 /nfs/dbraw/zinc/13/51/64/374135164.db2.gz DKZXDDGUTJWBQV-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO c1ccc(CN2CCCC[C@@H](C[NH2+]CC3CC3)C2)cc1 ZINC000310001083 374205569 /nfs/dbraw/zinc/20/55/69/374205569.db2.gz FBMZLFZYHSCXJM-SFHVURJKSA-N 1 3 272.436 3.288 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1cccc(OC(F)F)c1)CN(C)C ZINC000312528119 374282066 /nfs/dbraw/zinc/28/20/66/374282066.db2.gz PKOLMYCSRLKDCV-VXGBXAGGSA-N 1 3 286.366 3.136 20 0 CGADHO c1cc(N2CCC([NH2+][C@@H]3CC4CCC3CC4)CC2)ccn1 ZINC000315621246 374330269 /nfs/dbraw/zinc/33/02/69/374330269.db2.gz VPPHITMCBPRYJU-JTTJXQCZSA-N 1 3 285.435 3.219 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802634 374332507 /nfs/dbraw/zinc/33/25/07/374332507.db2.gz BCPYFMHWAJEZMQ-KDOFPFPSSA-N 1 3 297.446 3.477 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802634 374332518 /nfs/dbraw/zinc/33/25/18/374332518.db2.gz BCPYFMHWAJEZMQ-KDOFPFPSSA-N 1 3 297.446 3.477 20 0 CGADHO CC[C@H](C)[C@@H](C)NCC1(C[NH2+][C@@H](C)[C@@H](C)CC)COC1 ZINC000183064200 374365535 /nfs/dbraw/zinc/36/55/35/374365535.db2.gz XLUGZRQRZGWLSR-YHUYYLMFSA-N 1 3 284.488 3.051 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]CC1(CN[C@@H](C)[C@@H](C)CC)COC1 ZINC000183064200 374365545 /nfs/dbraw/zinc/36/55/45/374365545.db2.gz XLUGZRQRZGWLSR-YHUYYLMFSA-N 1 3 284.488 3.051 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000183127279 374375897 /nfs/dbraw/zinc/37/58/97/374375897.db2.gz HUTQODWGMMJIID-QBPKDAKJSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000183127279 374375899 /nfs/dbraw/zinc/37/58/99/374375899.db2.gz HUTQODWGMMJIID-QBPKDAKJSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000090856519 541964896 /nfs/dbraw/zinc/96/48/96/541964896.db2.gz BOJLPJCKQMUYDB-GJZGRUSLSA-N 1 3 290.451 3.466 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000092217595 541972920 /nfs/dbraw/zinc/97/29/20/541972920.db2.gz WVLGSWIWTPUOFV-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+](C)CC(C)(C)C)cc1 ZINC000092217595 541972925 /nfs/dbraw/zinc/97/29/25/541972925.db2.gz WVLGSWIWTPUOFV-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO c1ccc(C2CC2)c(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000094357623 541985836 /nfs/dbraw/zinc/98/58/36/541985836.db2.gz HDUXHTVWSPHVHI-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC1 ZINC000094874475 541990080 /nfs/dbraw/zinc/99/00/80/541990080.db2.gz QFDJJUIBTMIOSZ-HUUCEWRRSA-N 1 3 252.446 3.452 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000187285934 374998025 /nfs/dbraw/zinc/99/80/25/374998025.db2.gz AARNPZZWYSINSP-ZIAGYGMSSA-N 1 3 280.843 3.327 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000187285934 374998030 /nfs/dbraw/zinc/99/80/30/374998030.db2.gz AARNPZZWYSINSP-ZIAGYGMSSA-N 1 3 280.843 3.327 20 0 CGADHO CC(C)[C@@H](C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000474276544 375093348 /nfs/dbraw/zinc/09/33/48/375093348.db2.gz OGIGIMHYUFJWSE-RCCFBDPRSA-N 1 3 272.436 3.110 20 0 CGADHO CC(C)[C@@H](C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000474276544 375093355 /nfs/dbraw/zinc/09/33/55/375093355.db2.gz OGIGIMHYUFJWSE-RCCFBDPRSA-N 1 3 272.436 3.110 20 0 CGADHO COC1(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)CCCCC1 ZINC000480300247 375158075 /nfs/dbraw/zinc/15/80/75/375158075.db2.gz IFBGXJFKGIJWKL-KRWDZBQOSA-N 1 3 296.499 3.293 20 0 CGADHO COC1(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCCCC1 ZINC000480300247 375158083 /nfs/dbraw/zinc/15/80/83/375158083.db2.gz IFBGXJFKGIJWKL-KRWDZBQOSA-N 1 3 296.499 3.293 20 0 CGADHO COC1(C[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCCCC1 ZINC000480300247 375158089 /nfs/dbraw/zinc/15/80/89/375158089.db2.gz IFBGXJFKGIJWKL-KRWDZBQOSA-N 1 3 296.499 3.293 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000188112378 375159826 /nfs/dbraw/zinc/15/98/26/375159826.db2.gz NUISFGQHJPLVNR-KBMXLJTQSA-N 1 3 278.415 3.219 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188112378 375159831 /nfs/dbraw/zinc/15/98/31/375159831.db2.gz NUISFGQHJPLVNR-KBMXLJTQSA-N 1 3 278.415 3.219 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCOC(C)(C)C ZINC000482130414 375167823 /nfs/dbraw/zinc/16/78/23/375167823.db2.gz DVPORXSCDBITKL-CVEARBPZSA-N 1 3 284.488 3.292 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000482130414 375167832 /nfs/dbraw/zinc/16/78/32/375167832.db2.gz DVPORXSCDBITKL-CVEARBPZSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc2sccc2c1 ZINC000335181755 375206641 /nfs/dbraw/zinc/20/66/41/375206641.db2.gz QSTSFORKUOSDRN-SWLSCSKDSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc2sccc2c1 ZINC000335181755 375206648 /nfs/dbraw/zinc/20/66/48/375206648.db2.gz QSTSFORKUOSDRN-SWLSCSKDSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000488301026 375307096 /nfs/dbraw/zinc/30/70/96/375307096.db2.gz VBBGYNDKNRGFSF-ZACQAIPSSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H](CN1CC[C@H](C2CC2)C1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491232906 375324624 /nfs/dbraw/zinc/32/46/24/375324624.db2.gz UTVIFXVFDAIYFI-GJWQZFMSSA-N 1 3 276.468 3.086 20 0 CGADHO C[C@@H](CN1CC[C@H](C2CC2)C1)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491232906 375324627 /nfs/dbraw/zinc/32/46/27/375324627.db2.gz UTVIFXVFDAIYFI-GJWQZFMSSA-N 1 3 276.468 3.086 20 0 CGADHO C[C@H](CN1CC[C@@H](C2CC2)C1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491232906 375324631 /nfs/dbraw/zinc/32/46/31/375324631.db2.gz UTVIFXVFDAIYFI-GJWQZFMSSA-N 1 3 276.468 3.086 20 0 CGADHO C[C@H](CN1CC[C@@H](C2CC2)C1)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000491232906 375324636 /nfs/dbraw/zinc/32/46/36/375324636.db2.gz UTVIFXVFDAIYFI-GJWQZFMSSA-N 1 3 276.468 3.086 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NC1CC(c2ccccc2)C1 ZINC000335561728 375330825 /nfs/dbraw/zinc/33/08/25/375330825.db2.gz QQYWODCKRJBMAO-SJJHQCBESA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)CN(C)C ZINC000491559345 375331205 /nfs/dbraw/zinc/33/12/05/375331205.db2.gz KJSOHIMCRMFKSI-HIFPTAJRSA-N 1 3 280.378 3.142 20 0 CGADHO CCC[C@@H](C[NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000491596115 375336579 /nfs/dbraw/zinc/33/65/79/375336579.db2.gz HLBQSPUVBIJFHZ-RDJZCZTQSA-N 1 3 262.441 3.358 20 0 CGADHO CCOC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000189355406 375373965 /nfs/dbraw/zinc/37/39/65/375373965.db2.gz BEOWRYDMCCNSIS-GOSISDBHSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000189355406 375373972 /nfs/dbraw/zinc/37/39/72/375373972.db2.gz BEOWRYDMCCNSIS-GOSISDBHSA-N 1 3 296.499 3.434 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000120926406 542013977 /nfs/dbraw/zinc/01/39/77/542013977.db2.gz RCVOIBHNLWXVOR-HNNXBMFYSA-N 1 3 282.378 3.130 20 0 CGADHO CCN(CC)[C@H](CNc1cc[nH+]cc1C)c1ccco1 ZINC000192539380 375762235 /nfs/dbraw/zinc/76/22/35/375762235.db2.gz VCJMARDJUXSCAJ-OAHLLOKOSA-N 1 3 273.380 3.478 20 0 CGADHO Cc1ncccc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192921793 375803247 /nfs/dbraw/zinc/80/32/47/375803247.db2.gz WIFPLVNNZLTTCX-GOSISDBHSA-N 1 3 295.430 3.002 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1coc2ccccc12 ZINC000336396703 375788461 /nfs/dbraw/zinc/78/84/61/375788461.db2.gz USWLPVOAZSMZCV-XJKSGUPXSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1coc2ccccc12 ZINC000336396703 375788468 /nfs/dbraw/zinc/78/84/68/375788468.db2.gz USWLPVOAZSMZCV-XJKSGUPXSA-N 1 3 272.392 3.205 20 0 CGADHO CC(C)c1nc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1 ZINC000192804459 375791119 /nfs/dbraw/zinc/79/11/19/375791119.db2.gz UXKGAUIBPSOEPQ-GOOCMWNKSA-N 1 3 293.480 3.024 20 0 CGADHO CC(C)c1nc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000192804459 375791125 /nfs/dbraw/zinc/79/11/25/375791125.db2.gz UXKGAUIBPSOEPQ-GOOCMWNKSA-N 1 3 293.480 3.024 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000520406634 375853685 /nfs/dbraw/zinc/85/36/85/375853685.db2.gz OAOWMTSDKYQZSC-WOPDTQHZSA-N 1 3 299.256 3.268 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](C)c1cccc(Br)c1 ZINC000520406634 375853689 /nfs/dbraw/zinc/85/36/89/375853689.db2.gz OAOWMTSDKYQZSC-WOPDTQHZSA-N 1 3 299.256 3.268 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN1CCCC1 ZINC000193460991 375880546 /nfs/dbraw/zinc/88/05/46/375880546.db2.gz MTFIFUHBHFQBQK-CQSZACIVSA-N 1 3 264.388 3.304 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000193460991 375880555 /nfs/dbraw/zinc/88/05/55/375880555.db2.gz MTFIFUHBHFQBQK-CQSZACIVSA-N 1 3 264.388 3.304 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)CN(C)C ZINC000336732735 375925636 /nfs/dbraw/zinc/92/56/36/375925636.db2.gz ZTVWKEXNPQLZCE-VXGBXAGGSA-N 1 3 254.805 3.188 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000195136539 376082454 /nfs/dbraw/zinc/08/24/54/376082454.db2.gz NZFHEIXVHNJLOF-WBVHZDCISA-N 1 3 284.403 3.452 20 0 CGADHO CN(CCCCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000536262898 376084214 /nfs/dbraw/zinc/08/42/14/376084214.db2.gz JFQYNQGFRCKVDM-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO CN(CCCCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000536262898 376084218 /nfs/dbraw/zinc/08/42/18/376084218.db2.gz JFQYNQGFRCKVDM-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO C[C@@H]([NH2+]CCCC1CC1)c1cccc(OCCN(C)C)c1 ZINC000537973211 376214238 /nfs/dbraw/zinc/21/42/38/376214238.db2.gz ZAEAUWWIJJKDMJ-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CC[C@H]2C2CC2)CC(C)(C)N1 ZINC000334275802 206295234 /nfs/dbraw/zinc/29/52/34/206295234.db2.gz CGUYPWCIEUCEOG-UONOGXRCSA-N 1 3 250.430 3.074 20 0 CGADHO C[C@@H](c1ccccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000226324842 376352237 /nfs/dbraw/zinc/35/22/37/376352237.db2.gz HKLRRBLWERECIP-STQMWFEESA-N 1 3 266.816 3.462 20 0 CGADHO FC1(F)CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000541232357 376427886 /nfs/dbraw/zinc/42/78/86/376427886.db2.gz FDIKLRMWXPDNBB-AWEZNQCLSA-N 1 3 272.383 3.028 20 0 CGADHO Cc1ccc2cc(CN(C)[C@H]3CCC[NH2+]CC3)ccc2n1 ZINC000226447304 376359816 /nfs/dbraw/zinc/35/98/16/376359816.db2.gz IZXBUZONCSJCNW-KRWDZBQOSA-N 1 3 283.419 3.117 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc4ccccc34)C[C@@H]21 ZINC000230048723 376482440 /nfs/dbraw/zinc/48/24/40/376482440.db2.gz RGFGABTYEJBFNH-UHOFOFEASA-N 1 3 286.444 3.461 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338689132 376482562 /nfs/dbraw/zinc/48/25/62/376482562.db2.gz RILJVDPSHXOIFG-AIHBUXEESA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338689132 376482565 /nfs/dbraw/zinc/48/25/65/376482565.db2.gz RILJVDPSHXOIFG-AIHBUXEESA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338689132 376482568 /nfs/dbraw/zinc/48/25/68/376482568.db2.gz RILJVDPSHXOIFG-AIHBUXEESA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000230411780 376516885 /nfs/dbraw/zinc/51/68/85/376516885.db2.gz JEXSLKGZJSKYCL-LSDHHAIUSA-N 1 3 273.424 3.076 20 0 CGADHO C[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000230663889 376525067 /nfs/dbraw/zinc/52/50/67/376525067.db2.gz HCUZTYGPODRIFQ-LSDHHAIUSA-N 1 3 273.424 3.076 20 0 CGADHO Cc1ccc(CNCCCC[NH+](C)C)c(Cl)c1 ZINC000234248447 376612358 /nfs/dbraw/zinc/61/23/58/376612358.db2.gz LPBPSISCDZLNET-UHFFFAOYSA-N 1 3 254.805 3.080 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543394839 376635637 /nfs/dbraw/zinc/63/56/37/376635637.db2.gz OJLSGVJNDOHTKL-NJAFHUGGSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000543394839 376635641 /nfs/dbraw/zinc/63/56/41/376635641.db2.gz OJLSGVJNDOHTKL-NJAFHUGGSA-N 1 3 278.484 3.476 20 0 CGADHO Cc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000237670546 376757300 /nfs/dbraw/zinc/75/73/00/376757300.db2.gz ZYWXIWQWVZZSCS-CQSZACIVSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000237670546 376757309 /nfs/dbraw/zinc/75/73/09/376757309.db2.gz ZYWXIWQWVZZSCS-CQSZACIVSA-N 1 3 264.413 3.332 20 0 CGADHO COc1ccc([C@@H](C)[N@H+](C)CC[C@H]2CCCN2C)cc1 ZINC000245628690 376872053 /nfs/dbraw/zinc/87/20/53/376872053.db2.gz PMJDHARPNLZKLB-GDBMZVCRSA-N 1 3 276.424 3.172 20 0 CGADHO COc1ccc([C@@H](C)[N@@H+](C)CC[C@H]2CCCN2C)cc1 ZINC000245628690 376872058 /nfs/dbraw/zinc/87/20/58/376872058.db2.gz PMJDHARPNLZKLB-GDBMZVCRSA-N 1 3 276.424 3.172 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683367 376878679 /nfs/dbraw/zinc/87/86/79/376878679.db2.gz AAJKEEOBGAXFPV-MAUKXSAKSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683367 376878682 /nfs/dbraw/zinc/87/86/82/376878682.db2.gz AAJKEEOBGAXFPV-MAUKXSAKSA-N 1 3 274.452 3.466 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN[C@H](c1ccccc1)C1CC1 ZINC000245898615 376929032 /nfs/dbraw/zinc/92/90/32/376929032.db2.gz NMTPTTZAMPFQLN-DLBZAZTESA-N 1 3 258.409 3.212 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN[C@H](c1ccccc1)C1CC1 ZINC000245898615 376929040 /nfs/dbraw/zinc/92/90/40/376929040.db2.gz NMTPTTZAMPFQLN-DLBZAZTESA-N 1 3 258.409 3.212 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000245898615 376929044 /nfs/dbraw/zinc/92/90/44/376929044.db2.gz NMTPTTZAMPFQLN-DLBZAZTESA-N 1 3 258.409 3.212 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000559153691 377069319 /nfs/dbraw/zinc/06/93/19/377069319.db2.gz DWVLALHRJFTGEI-FLXSYLCISA-N 1 3 296.499 3.433 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000247288404 377189577 /nfs/dbraw/zinc/18/95/77/377189577.db2.gz GRYRPWCPJDBRMR-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]2CCC[C@@H]21 ZINC000560521862 377164235 /nfs/dbraw/zinc/16/42/35/377164235.db2.gz GXJMSZIROJUDKX-ULQDDVLXSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248127675 377268972 /nfs/dbraw/zinc/26/89/72/377268972.db2.gz OCNQVJOUPGPVTC-NEWSRXKRSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000248127675 377268979 /nfs/dbraw/zinc/26/89/79/377268979.db2.gz OCNQVJOUPGPVTC-NEWSRXKRSA-N 1 3 284.447 3.480 20 0 CGADHO CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248014354 377257660 /nfs/dbraw/zinc/25/76/60/377257660.db2.gz LOQOMELBYPRJPX-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248014354 377257668 /nfs/dbraw/zinc/25/76/68/377257668.db2.gz LOQOMELBYPRJPX-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248014354 377257674 /nfs/dbraw/zinc/25/76/74/377257674.db2.gz LOQOMELBYPRJPX-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248014354 377257681 /nfs/dbraw/zinc/25/76/81/377257681.db2.gz LOQOMELBYPRJPX-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2CCc3c2cccc3C)CC1 ZINC000161594545 542159598 /nfs/dbraw/zinc/15/95/98/542159598.db2.gz YRWSNJXNWNAIGW-GOSISDBHSA-N 1 3 272.436 3.446 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000341172210 377430179 /nfs/dbraw/zinc/43/01/79/377430179.db2.gz NDCXMDFPCBYDJY-UHFFFAOYSA-N 1 3 266.816 3.114 20 0 CGADHO Cc1ccc(C[C@@H]2CCCN(C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137724 377407932 /nfs/dbraw/zinc/40/79/32/377407932.db2.gz LMQDXVVBJFBOJC-OALUTQOASA-N 1 3 286.463 3.249 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000249094471 377461498 /nfs/dbraw/zinc/46/14/98/377461498.db2.gz VFVOACUJGOYXCK-LAVFITLUSA-N 1 3 294.483 3.187 20 0 CGADHO CCc1nc([C@H](C)N[C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000162423723 542163901 /nfs/dbraw/zinc/16/39/01/542163901.db2.gz YUWYEJWJXQESRM-RYUDHWBXSA-N 1 3 281.469 3.086 20 0 CGADHO c1ccc(CC[C@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000469879265 249161171 /nfs/dbraw/zinc/16/11/71/249161171.db2.gz FJTCCUGLRXMZLR-RBUKOAKNSA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc(CC[C@H]2CCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000469879265 249161172 /nfs/dbraw/zinc/16/11/72/249161172.db2.gz FJTCCUGLRXMZLR-RBUKOAKNSA-N 1 3 286.463 3.473 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000250534692 377561335 /nfs/dbraw/zinc/56/13/35/377561335.db2.gz OIQFNMGEDUYMGU-XIRDDKMYSA-N 1 3 258.409 3.171 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2ccccc21 ZINC000250534692 377561346 /nfs/dbraw/zinc/56/13/46/377561346.db2.gz OIQFNMGEDUYMGU-XIRDDKMYSA-N 1 3 258.409 3.171 20 0 CGADHO Cc1cc(C)cc([C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000469983911 249164915 /nfs/dbraw/zinc/16/49/15/249164915.db2.gz JLKHMPHBRIWHRJ-SJORKVTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000469983911 249164917 /nfs/dbraw/zinc/16/49/17/249164917.db2.gz JLKHMPHBRIWHRJ-SJORKVTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000469983911 249164919 /nfs/dbraw/zinc/16/49/19/249164919.db2.gz JLKHMPHBRIWHRJ-SJORKVTESA-N 1 3 272.436 3.092 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000250584456 377563717 /nfs/dbraw/zinc/56/37/17/377563717.db2.gz WUOKBHYDZNKHLS-LTIDMASMSA-N 1 3 294.483 3.043 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000250584456 377563722 /nfs/dbraw/zinc/56/37/22/377563722.db2.gz WUOKBHYDZNKHLS-LTIDMASMSA-N 1 3 294.483 3.043 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251136380 377573841 /nfs/dbraw/zinc/57/38/41/377573841.db2.gz ZJQMBUVCHMEUPS-JGGQBBKZSA-N 1 3 264.388 3.336 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000251096608 377574051 /nfs/dbraw/zinc/57/40/51/377574051.db2.gz BERCVPZOADRPSN-KZNAEPCWSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000516781248 249243952 /nfs/dbraw/zinc/24/39/52/249243952.db2.gz DXHWDZFNASJBSV-KDOFPFPSSA-N 1 3 268.404 3.194 20 0 CGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781248 249243954 /nfs/dbraw/zinc/24/39/54/249243954.db2.gz DXHWDZFNASJBSV-KDOFPFPSSA-N 1 3 268.404 3.194 20 0 CGADHO Cc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251181796 377576344 /nfs/dbraw/zinc/57/63/44/377576344.db2.gz HUDFYOCXIXNLOA-KZNAEPCWSA-N 1 3 272.436 3.048 20 0 CGADHO CSCCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574439202 377663574 /nfs/dbraw/zinc/66/35/74/377663574.db2.gz GVJZQBZIZCCFEG-AWEZNQCLSA-N 1 3 298.521 3.173 20 0 CGADHO CSCCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574439202 377663578 /nfs/dbraw/zinc/66/35/78/377663578.db2.gz GVJZQBZIZCCFEG-AWEZNQCLSA-N 1 3 298.521 3.173 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000259035028 377801223 /nfs/dbraw/zinc/80/12/23/377801223.db2.gz OXVDCCMTNJCMKR-JKSUJKDBSA-N 1 3 260.425 3.050 20 0 CGADHO Cc1ccc(C)c(CNCc2ccc(C[NH3+])cc2)c1 ZINC000258950961 377802244 /nfs/dbraw/zinc/80/22/44/377802244.db2.gz IOZAVGRKTMKTBM-UHFFFAOYSA-N 1 3 254.377 3.052 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261686224 377840132 /nfs/dbraw/zinc/84/01/32/377840132.db2.gz ARFNXLKBWQONLF-IRXDYDNUSA-N 1 3 278.415 3.454 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000342932221 377864425 /nfs/dbraw/zinc/86/44/25/377864425.db2.gz YJSJBMRDBGWDAY-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000342932221 377864433 /nfs/dbraw/zinc/86/44/33/377864433.db2.gz YJSJBMRDBGWDAY-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000342932221 377864438 /nfs/dbraw/zinc/86/44/38/377864438.db2.gz YJSJBMRDBGWDAY-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000342932221 377864444 /nfs/dbraw/zinc/86/44/44/377864444.db2.gz YJSJBMRDBGWDAY-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Fc1ccc([C@H]2CCC[N@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000261922960 377868108 /nfs/dbraw/zinc/86/81/08/377868108.db2.gz KSDMTMMCYWXYNZ-HOTGVXAUSA-N 1 3 290.426 3.395 20 0 CGADHO Fc1ccc([C@H]2CCC[N@@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000261922960 377868114 /nfs/dbraw/zinc/86/81/14/377868114.db2.gz KSDMTMMCYWXYNZ-HOTGVXAUSA-N 1 3 290.426 3.395 20 0 CGADHO CC[N@H+](C[C@H](C)c1ccccc1)[C@H]1CCCNCC1 ZINC000262037070 377881746 /nfs/dbraw/zinc/88/17/46/377881746.db2.gz XVCZNNIVWZIJQW-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO CC[N@@H+](C[C@H](C)c1ccccc1)[C@H]1CCCNCC1 ZINC000262037070 377881751 /nfs/dbraw/zinc/88/17/51/377881751.db2.gz XVCZNNIVWZIJQW-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO CC1CCC(N(C[C@@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262043202 377881881 /nfs/dbraw/zinc/88/18/81/377881881.db2.gz PJCJDKBHPXRKSW-ZGUYJTEBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@]1(CN2CCC[C@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134572 377888060 /nfs/dbraw/zinc/88/80/60/377888060.db2.gz YNNUPRHALFCUOM-MAUKXSAKSA-N 1 3 290.426 3.395 20 0 CGADHO Cc1ccc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2n1 ZINC000262456452 377899234 /nfs/dbraw/zinc/89/92/34/377899234.db2.gz IDNNBJNBDWFDCQ-RCCFBDPRSA-N 1 3 295.430 3.102 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823151 377858022 /nfs/dbraw/zinc/85/80/22/377858022.db2.gz INXCCGLMKONKSX-DYEKYZERSA-N 1 3 266.816 3.113 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417314 542231810 /nfs/dbraw/zinc/23/18/10/542231810.db2.gz QZCFFMMUBIETHZ-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417314 542231811 /nfs/dbraw/zinc/23/18/11/542231811.db2.gz QZCFFMMUBIETHZ-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417314 542231814 /nfs/dbraw/zinc/23/18/14/542231814.db2.gz QZCFFMMUBIETHZ-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4cnccc43)CC[C@@H]21 ZINC000183417314 542231816 /nfs/dbraw/zinc/23/18/16/542231816.db2.gz QZCFFMMUBIETHZ-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CC[C@@H](NCCC[N@H+](C)CCOC)c1cccc(Cl)c1 ZINC000343915333 378132621 /nfs/dbraw/zinc/13/26/21/378132621.db2.gz NZWOJYSYNXKXEZ-MRXNPFEDSA-N 1 3 298.858 3.349 20 0 CGADHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1cccc(Cl)c1 ZINC000343915333 378132624 /nfs/dbraw/zinc/13/26/24/378132624.db2.gz NZWOJYSYNXKXEZ-MRXNPFEDSA-N 1 3 298.858 3.349 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000579834919 378200663 /nfs/dbraw/zinc/20/06/63/378200663.db2.gz CTUAHYSZQXXCNY-SFHVURJKSA-N 1 3 282.387 3.018 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CC(C)(C)C1 ZINC000344330285 378168331 /nfs/dbraw/zinc/16/83/31/378168331.db2.gz OAXCOMQKVQGNFK-DZGCQCFKSA-N 1 3 250.430 3.053 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000582094282 378286081 /nfs/dbraw/zinc/28/60/81/378286081.db2.gz DCMWFCMEAXDUKV-KRWDZBQOSA-N 1 3 288.479 3.458 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257490 378315315 /nfs/dbraw/zinc/31/53/15/378315315.db2.gz QFESTCXMWCCLFD-MOPGFXCFSA-N 1 3 295.430 3.498 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000583806415 378348680 /nfs/dbraw/zinc/34/86/80/378348680.db2.gz DOFDFDFSTQHKHK-RYUDHWBXSA-N 1 3 266.351 3.085 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000583806378 378348824 /nfs/dbraw/zinc/34/88/24/378348824.db2.gz BAANXRPCRPUYGK-BSDSXHPESA-N 1 3 296.499 3.338 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583806378 378348831 /nfs/dbraw/zinc/34/88/31/378348831.db2.gz BAANXRPCRPUYGK-BSDSXHPESA-N 1 3 296.499 3.338 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346570726 378627027 /nfs/dbraw/zinc/62/70/27/378627027.db2.gz WLPHHFPNWLBJFG-QAETUUGQSA-N 1 3 282.472 3.044 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H]1CCCO1 ZINC000346570726 378627036 /nfs/dbraw/zinc/62/70/36/378627036.db2.gz WLPHHFPNWLBJFG-QAETUUGQSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346850047 378694482 /nfs/dbraw/zinc/69/44/82/378694482.db2.gz PFUWVNBTNLOVRF-ROUUACIJSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346850047 378694486 /nfs/dbraw/zinc/69/44/86/378694486.db2.gz PFUWVNBTNLOVRF-ROUUACIJSA-N 1 3 272.436 3.002 20 0 CGADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000347932295 378733101 /nfs/dbraw/zinc/73/31/01/378733101.db2.gz MAIVDXFOSMZIFX-HIFRSBDPSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348249171 378863864 /nfs/dbraw/zinc/86/38/64/378863864.db2.gz UTMVYOBHTQCNKS-DLBZAZTESA-N 1 3 260.425 3.110 20 0 CGADHO Cc1ccc(-c2cccc(CN3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000347008992 218090849 /nfs/dbraw/zinc/09/08/49/218090849.db2.gz FERPZUURWZDZPO-QGZVFWFLSA-N 1 3 280.415 3.443 20 0 CGADHO Fc1ccc(Cl)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278539840 194032755 /nfs/dbraw/zinc/03/27/55/194032755.db2.gz WZVCEFKIRDYVCB-UHFFFAOYSA-N 1 3 296.817 3.443 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000346982348 218078375 /nfs/dbraw/zinc/07/83/75/218078375.db2.gz NNLFBUVHCXPEBR-MRXNPFEDSA-N 1 3 264.457 3.422 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000346982348 218078377 /nfs/dbraw/zinc/07/83/77/218078377.db2.gz NNLFBUVHCXPEBR-MRXNPFEDSA-N 1 3 264.457 3.422 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000347064283 218109107 /nfs/dbraw/zinc/10/91/07/218109107.db2.gz JQJDBWDUKCUFKE-ARJAWSKDSA-N 1 3 294.389 3.300 20 0 CGADHO C[C@H]1CCCC[C@@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132749 218132686 /nfs/dbraw/zinc/13/26/86/218132686.db2.gz RNKNLJDDVAUXKO-JPIQDLEPSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131582 218133110 /nfs/dbraw/zinc/13/31/10/218133110.db2.gz RIPODYXACWSPCS-KXBFYZLASA-N 1 3 295.430 3.308 20 0 CGADHO Cc1scc(C[N@H+]2CCCC23CCN(C)CC3)c1C ZINC000639082806 379007003 /nfs/dbraw/zinc/00/70/03/379007003.db2.gz XQJLAXBSDDJBEY-UHFFFAOYSA-N 1 3 278.465 3.425 20 0 CGADHO Cc1scc(C[N@@H+]2CCCC23CCN(C)CC3)c1C ZINC000639082806 379007006 /nfs/dbraw/zinc/00/70/06/379007006.db2.gz XQJLAXBSDDJBEY-UHFFFAOYSA-N 1 3 278.465 3.425 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211859 218156817 /nfs/dbraw/zinc/15/68/17/218156817.db2.gz PGZXLDTVHXUKPB-CRAIPNDOSA-N 1 3 295.430 3.308 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2ccc3ccccc3n2)[C@H](C)C1 ZINC000347368307 218208810 /nfs/dbraw/zinc/20/88/10/218208810.db2.gz XRYUCTBCGAHACW-QAPCUYQASA-N 1 3 297.446 3.097 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2ccc3ccccc3n2)[C@H](C)C1 ZINC000347368307 218208811 /nfs/dbraw/zinc/20/88/11/218208811.db2.gz XRYUCTBCGAHACW-QAPCUYQASA-N 1 3 297.446 3.097 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc4ncccc34)C2)C1 ZINC000639207762 379141865 /nfs/dbraw/zinc/14/18/65/379141865.db2.gz KPFOTVVOSHJKJT-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(Cc3cccc4ncccc34)C2)C1 ZINC000639207762 379141877 /nfs/dbraw/zinc/14/18/77/379141877.db2.gz KPFOTVVOSHJKJT-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+](Cc1ccccc1)C1CCN(c2ccncc2)CC1 ZINC000376798843 379604364 /nfs/dbraw/zinc/60/43/64/379604364.db2.gz KQLXYNFFESFWFY-UHFFFAOYSA-N 1 3 281.403 3.182 20 0 CGADHO C[N@@H+](Cc1ccccc1)C1CCN(c2ccncc2)CC1 ZINC000376798843 379604374 /nfs/dbraw/zinc/60/43/74/379604374.db2.gz KQLXYNFFESFWFY-UHFFFAOYSA-N 1 3 281.403 3.182 20 0 CGADHO NCC[C@H]1CCCC[N@@H+]1CCCCCOc1ccccc1 ZINC000352534019 379846268 /nfs/dbraw/zinc/84/62/68/379846268.db2.gz CHCHKKBQWGLEHS-QGZVFWFLSA-N 1 3 290.451 3.439 20 0 CGADHO NCC[C@H]1CCCC[N@H+]1CCCCCOc1ccccc1 ZINC000352534019 379846275 /nfs/dbraw/zinc/84/62/75/379846275.db2.gz CHCHKKBQWGLEHS-QGZVFWFLSA-N 1 3 290.451 3.439 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1CCCCCOc1ccccc1 ZINC000352534019 379846279 /nfs/dbraw/zinc/84/62/79/379846279.db2.gz CHCHKKBQWGLEHS-QGZVFWFLSA-N 1 3 290.451 3.439 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352718205 379921027 /nfs/dbraw/zinc/92/10/27/379921027.db2.gz JCSWOOOCMLEQSS-QQFBHYJXSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)[N@@H+]1CCC[C@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000352718205 379921032 /nfs/dbraw/zinc/92/10/32/379921032.db2.gz JCSWOOOCMLEQSS-QQFBHYJXSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)[N@H+]1CCC[C@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000352718205 379921040 /nfs/dbraw/zinc/92/10/40/379921040.db2.gz JCSWOOOCMLEQSS-QQFBHYJXSA-N 1 3 282.472 3.043 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)[C@@H]1CC1(C)C ZINC000397669804 379924116 /nfs/dbraw/zinc/92/41/16/379924116.db2.gz FLMUPEJFSXZCDY-KKUMJFAQSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1cc([C@@H](C)NCCC2CC[NH+](C)CC2)oc1C ZINC000282315973 379896934 /nfs/dbraw/zinc/89/69/34/379896934.db2.gz UCNVZWWZEHSYAT-CYBMUJFWSA-N 1 3 264.413 3.279 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000352792658 379964294 /nfs/dbraw/zinc/96/42/94/379964294.db2.gz BUZKCWYQAPEWAP-LBPRGKRZSA-N 1 3 284.494 3.292 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC(C)(C)N1 ZINC000408510716 380013748 /nfs/dbraw/zinc/01/37/48/380013748.db2.gz ZAEXKFYJWBUQFC-YUTCNCBUSA-N 1 3 250.430 3.074 20 0 CGADHO C[C@H]1c2ccc(F)cc2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000643058157 380210541 /nfs/dbraw/zinc/21/05/41/380210541.db2.gz JCEIRMGXLVFBRQ-KBPBESRZSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000643474709 380317103 /nfs/dbraw/zinc/31/71/03/380317103.db2.gz XEFJCZCEUKDJAH-HIFRSBDPSA-N 1 3 298.377 3.471 20 0 CGADHO c1csc(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000643477666 380317582 /nfs/dbraw/zinc/31/75/82/380317582.db2.gz ISCZMBVPRIYEFI-OAGGEKHMSA-N 1 3 278.465 3.191 20 0 CGADHO CC[C@H](Cc1cccs1)NCC([NH3+])(CC)CC ZINC000643513531 380333561 /nfs/dbraw/zinc/33/35/61/380333561.db2.gz IRPZNTHNWHJVIR-GFCCVEGCSA-N 1 3 254.443 3.176 20 0 CGADHO CC1(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CC[NH2+]CC1 ZINC000643518346 380335424 /nfs/dbraw/zinc/33/54/24/380335424.db2.gz YQKFEXRVDXKSNG-OAHLLOKOSA-N 1 3 290.455 3.010 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]C[C@]1(C)CCCNC1 ZINC000643518440 380335572 /nfs/dbraw/zinc/33/55/72/380335572.db2.gz HOZATGWWETUGJK-UKRRQHHQSA-N 1 3 266.454 3.049 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1ccccc1Cl ZINC000643467481 380314930 /nfs/dbraw/zinc/31/49/30/380314930.db2.gz KJKZAIVWHJJZMG-ARFHVFGLSA-N 1 3 296.842 3.277 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548890 380365125 /nfs/dbraw/zinc/36/51/25/380365125.db2.gz WZOZGNPRFXQYOE-ZNMIVQPWSA-N 1 3 268.420 3.169 20 0 CGADHO CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548583 380365806 /nfs/dbraw/zinc/36/58/06/380365806.db2.gz RLOPVRZEYCBKCM-ARFHVFGLSA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)CO[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548583 380365810 /nfs/dbraw/zinc/36/58/10/380365810.db2.gz RLOPVRZEYCBKCM-ARFHVFGLSA-N 1 3 294.483 3.090 20 0 CGADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000643522488 380339158 /nfs/dbraw/zinc/33/91/58/380339158.db2.gz NXBQAYCLVJCVMW-DGCLKSJQSA-N 1 3 264.438 3.030 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643523299 380339732 /nfs/dbraw/zinc/33/97/32/380339732.db2.gz ZSBVSLRLEDIFCC-CXAGYDPISA-N 1 3 283.419 3.277 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)N)c1ccc(Cl)c(Cl)c1 ZINC000643525912 380340493 /nfs/dbraw/zinc/34/04/93/380340493.db2.gz IGHJWYHQOVYGTJ-PELKAZGASA-N 1 3 261.196 3.381 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000643534533 380349361 /nfs/dbraw/zinc/34/93/61/380349361.db2.gz XIWGSVWTWXFQMK-ONGXEEELSA-N 1 3 270.829 3.194 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000354163662 380350199 /nfs/dbraw/zinc/35/01/99/380350199.db2.gz MRPXIXXQAIJQNJ-ROUUACIJSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CC23CC[NH2+]CC3)C2CCC2)o1 ZINC000643535506 380350949 /nfs/dbraw/zinc/35/09/49/380350949.db2.gz MZXTUDHRIVYICM-HZPDHXFCSA-N 1 3 274.408 3.161 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)CC2 ZINC000643545744 380357185 /nfs/dbraw/zinc/35/71/85/380357185.db2.gz BLAWORYTBGCJEN-RDJZCZTQSA-N 1 3 270.420 3.247 20 0 CGADHO Cc1ccc(F)cc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414815610 380427906 /nfs/dbraw/zinc/42/79/06/380427906.db2.gz XUAYAVYUZKXZAY-ZDUSSCGKSA-N 1 3 272.367 3.444 20 0 CGADHO C[C@@H]([NH2+]CCCc1c(F)cccc1Cl)[C@@H]1CCCNC1 ZINC000414819977 380429621 /nfs/dbraw/zinc/42/96/21/380429621.db2.gz ITDBRRDYCJOYFW-CHWSQXEVSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@@H](NCCCc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414819977 380429628 /nfs/dbraw/zinc/42/96/28/380429628.db2.gz ITDBRRDYCJOYFW-CHWSQXEVSA-N 1 3 298.833 3.389 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000414832586 380440340 /nfs/dbraw/zinc/44/03/40/380440340.db2.gz FFUHVCFSTHACBW-CABCVRRESA-N 1 3 262.441 3.188 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000414832586 380440343 /nfs/dbraw/zinc/44/03/43/380440343.db2.gz FFUHVCFSTHACBW-CABCVRRESA-N 1 3 262.441 3.188 20 0 CGADHO C[C@@H]1[C@H](NCC2([NH3+])CCCCC2)C[C@H]1c1ccccc1 ZINC000414836180 380444078 /nfs/dbraw/zinc/44/40/78/380444078.db2.gz FLXNQRQFNWBACF-USXIJHARSA-N 1 3 272.436 3.430 20 0 CGADHO Clc1oc2ccccc2c1CNCC[C@@H]1CC[NH2+]C1 ZINC000414835396 380444523 /nfs/dbraw/zinc/44/45/23/380444523.db2.gz RRNDCUYCWZIEGK-NSHDSACASA-N 1 3 278.783 3.175 20 0 CGADHO CC(C)(C)c1ncc(C[NH2+][C@@H](CN)C2CCCCC2)s1 ZINC000414856359 380458083 /nfs/dbraw/zinc/45/80/83/380458083.db2.gz YQLHIJIVBCSHRF-AWEZNQCLSA-N 1 3 295.496 3.438 20 0 CGADHO C[C@H](NCC1([NH3+])CCCCC1)[C@@H](C)c1ccccc1 ZINC000414842819 380448381 /nfs/dbraw/zinc/44/83/81/380448381.db2.gz MZILLNNVKMCHBU-CABCVRRESA-N 1 3 260.425 3.430 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)CCc1ccc(Cl)s1 ZINC000414850595 380453414 /nfs/dbraw/zinc/45/34/14/380453414.db2.gz ZHRUVCZTOHESKJ-WDEREUQCSA-N 1 3 274.861 3.168 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414850595 380453423 /nfs/dbraw/zinc/45/34/23/380453423.db2.gz ZHRUVCZTOHESKJ-WDEREUQCSA-N 1 3 274.861 3.168 20 0 CGADHO Clc1csc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774721 380399037 /nfs/dbraw/zinc/39/90/37/380399037.db2.gz FUXSQKPBOKTXLS-NWDGAFQWSA-N 1 3 284.856 3.223 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C1CCNCC1 ZINC000414778724 380401371 /nfs/dbraw/zinc/40/13/71/380401371.db2.gz INMKKKDYONMISN-MRXNPFEDSA-N 1 3 260.425 3.130 20 0 CGADHO Clc1sccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414782784 380402706 /nfs/dbraw/zinc/40/27/06/380402706.db2.gz OVPPUXPVKBYXTH-NEPJUHHUSA-N 1 3 284.856 3.223 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000414794196 380408844 /nfs/dbraw/zinc/40/88/44/380408844.db2.gz FJOZEAPONUDPEK-CGTJXYLNSA-N 1 3 274.452 3.423 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C2CC2)cc1 ZINC000414800851 380412397 /nfs/dbraw/zinc/41/23/97/380412397.db2.gz LMOWTDUELNJRDD-IAGOWNOFSA-N 1 3 258.409 3.171 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414805426 380418365 /nfs/dbraw/zinc/41/83/65/380418365.db2.gz YLJYUPPPUNNZDW-XHSDSOJGSA-N 1 3 264.388 3.035 20 0 CGADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@H](C[NH3+])C1CC1 ZINC000414807252 380420522 /nfs/dbraw/zinc/42/05/22/380420522.db2.gz NUHRJQHPBSVMOX-LKFCYVNXSA-N 1 3 287.234 3.251 20 0 CGADHO COc1ccc2oc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2c1 ZINC000414810345 380421635 /nfs/dbraw/zinc/42/16/35/380421635.db2.gz VGIRZRFKRNGCSM-WBMJQRKESA-N 1 3 288.391 3.049 20 0 CGADHO COc1ccc2ccccc2c1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414909833 380485440 /nfs/dbraw/zinc/48/54/40/380485440.db2.gz CNANDKSNNVAMHS-CABCVRRESA-N 1 3 284.403 3.208 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414912952 380487711 /nfs/dbraw/zinc/48/77/11/380487711.db2.gz ZBYCJUNVBLLWJC-ZACQAIPSSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000414925141 380492032 /nfs/dbraw/zinc/49/20/32/380492032.db2.gz LAUCYOMTFIBEBX-CHWSQXEVSA-N 1 3 297.240 3.117 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@@H]1c1ccccc1 ZINC000414931747 380493083 /nfs/dbraw/zinc/49/30/83/380493083.db2.gz UXUMFAKKRKPXQT-BTYMGIQYSA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000414931747 380493095 /nfs/dbraw/zinc/49/30/95/380493095.db2.gz UXUMFAKKRKPXQT-BTYMGIQYSA-N 1 3 258.409 3.038 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414929886 380493517 /nfs/dbraw/zinc/49/35/17/380493517.db2.gz AAUASICANSONKN-JONQDZQNSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[C@H](C[NH2+][C@H]1CCNC[C@H]1C)c1ccccc1 ZINC000414937001 380495282 /nfs/dbraw/zinc/49/52/82/380495282.db2.gz HHLKRUUBGWOMBH-NXHRZFHOSA-N 1 3 274.452 3.404 20 0 CGADHO CC[NH2+][C@H](C)CNC1CCC(c2ccccc2)CC1 ZINC000414938577 380497719 /nfs/dbraw/zinc/49/77/19/380497719.db2.gz DBGSOTJYMCSYPY-ODIFPOPNSA-N 1 3 260.425 3.300 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1NCCC[NH+](C(C)C)C(C)C ZINC000354507700 380463382 /nfs/dbraw/zinc/46/33/82/380463382.db2.gz JBOKIXHWDBXXAD-DLBZAZTESA-N 1 3 284.488 3.290 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000354507700 380463386 /nfs/dbraw/zinc/46/33/86/380463386.db2.gz JBOKIXHWDBXXAD-DLBZAZTESA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(Oc2cccc(F)c2)cc1 ZINC000414887209 380476171 /nfs/dbraw/zinc/47/61/71/380476171.db2.gz DBPYYUMVDPDZFZ-ZDUSSCGKSA-N 1 3 288.366 3.445 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414903585 380482706 /nfs/dbraw/zinc/48/27/06/380482706.db2.gz IPMDDZNSEUHINX-YCPHGPKFSA-N 1 3 252.446 3.181 20 0 CGADHO c1cc(N2CCN([C@H]3C=CCCCCC3)CC2)cc[nH+]1 ZINC000645091325 380577732 /nfs/dbraw/zinc/57/77/32/380577732.db2.gz MUTIXKJJYPBDMV-INIZCTEOSA-N 1 3 271.408 3.093 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H]1COC(C)(C)C1 ZINC000417952733 380686660 /nfs/dbraw/zinc/68/66/60/380686660.db2.gz CTKCIDPOGMGLRD-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000417952733 380686668 /nfs/dbraw/zinc/68/66/68/380686668.db2.gz CTKCIDPOGMGLRD-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO C1C(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334101 380879159 /nfs/dbraw/zinc/87/91/59/380879159.db2.gz PILYYDTVOYTYBI-GOEBONIOSA-N 1 3 262.441 3.316 20 0 CGADHO C1C(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334101 380879166 /nfs/dbraw/zinc/87/91/66/380879166.db2.gz PILYYDTVOYTYBI-GOEBONIOSA-N 1 3 262.441 3.316 20 0 CGADHO C1C([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334101 380879171 /nfs/dbraw/zinc/87/91/71/380879171.db2.gz PILYYDTVOYTYBI-GOEBONIOSA-N 1 3 262.441 3.316 20 0 CGADHO C[NH+](C)C1CCC(NCc2ncc(C(C)(C)C)s2)CC1 ZINC000421371131 380907890 /nfs/dbraw/zinc/90/78/90/380907890.db2.gz KAXPHGBNOFNFHM-UHFFFAOYSA-N 1 3 295.496 3.403 20 0 CGADHO C[NH+](C)C1CCC(NCc2sccc2Cl)CC1 ZINC000421371185 380908149 /nfs/dbraw/zinc/90/81/49/380908149.db2.gz KMKAGJXGYAFOQV-UHFFFAOYSA-N 1 3 272.845 3.364 20 0 CGADHO CSc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357056194 381015596 /nfs/dbraw/zinc/01/55/96/381015596.db2.gz RYOCZQLDHHINOG-INIZCTEOSA-N 1 3 290.476 3.230 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000359484956 381349977 /nfs/dbraw/zinc/34/99/77/381349977.db2.gz RTNDXZRQGAIJRO-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235101 381493369 /nfs/dbraw/zinc/49/33/69/381493369.db2.gz RQTCDFRJZKNGGU-HUUCEWRRSA-N 1 3 288.435 3.099 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362921986 382149582 /nfs/dbraw/zinc/14/95/82/382149582.db2.gz LASWHUYYFRTENU-UHFFFAOYSA-N 1 3 289.398 3.269 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000234354427 542308782 /nfs/dbraw/zinc/30/87/82/542308782.db2.gz BYJKOXWFKLDZQZ-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413131 296343246 /nfs/dbraw/zinc/34/32/46/296343246.db2.gz ZVHMEDQUSDQQMN-TVFCKZIOSA-N 1 3 294.483 3.046 20 0 CGADHO CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435394430 285017467 /nfs/dbraw/zinc/01/74/67/285017467.db2.gz NGWJSTGEWZYUGZ-WBVHZDCISA-N 1 3 290.451 3.263 20 0 CGADHO CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435394430 285017472 /nfs/dbraw/zinc/01/74/72/285017472.db2.gz NGWJSTGEWZYUGZ-WBVHZDCISA-N 1 3 290.451 3.263 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770429 220317743 /nfs/dbraw/zinc/31/77/43/220317743.db2.gz UQXLFBPVCRVMMA-ZBFHGGJFSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770429 220317744 /nfs/dbraw/zinc/31/77/44/220317744.db2.gz UQXLFBPVCRVMMA-ZBFHGGJFSA-N 1 3 285.435 3.473 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000423401173 533176462 /nfs/dbraw/zinc/17/64/62/533176462.db2.gz VVEXPMWFHMUFLX-BFJAYTPKSA-N 1 3 276.424 3.047 20 0 CGADHO Cc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000311947361 542431250 /nfs/dbraw/zinc/43/12/50/542431250.db2.gz XGFPOQGGLFUDQQ-GASCZTMLSA-N 1 3 278.827 3.080 20 0 CGADHO COc1ccc([C@H](NC[C@]2(C)CCC[NH2+]C2)C(C)C)cc1 ZINC000423336192 533197685 /nfs/dbraw/zinc/19/76/85/533197685.db2.gz JPBDEJACWQAFMZ-QZTJIDSGSA-N 1 3 290.451 3.372 20 0 CGADHO COc1ccc([C@H]([NH2+]C[C@]2(C)CCCNC2)C(C)C)cc1 ZINC000423336192 533197694 /nfs/dbraw/zinc/19/76/94/533197694.db2.gz JPBDEJACWQAFMZ-QZTJIDSGSA-N 1 3 290.451 3.372 20 0 CGADHO COCCC1(C[NH2+]CCCN2CCCC2)CCCCC1 ZINC000436280180 533205860 /nfs/dbraw/zinc/20/58/60/533205860.db2.gz LIFJBWGCUUXXLT-UHFFFAOYSA-N 1 3 282.472 3.049 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000348108665 542515658 /nfs/dbraw/zinc/51/56/58/542515658.db2.gz SHIURCKNIQAXBM-IRXDYDNUSA-N 1 3 258.409 3.026 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CC[C@@H]1C1CC1)C(C)C ZINC000348119032 542516188 /nfs/dbraw/zinc/51/61/88/542516188.db2.gz FOPJSZPJCLNJHK-HZPDHXFCSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)N(CCC[NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)C ZINC000348119032 542516193 /nfs/dbraw/zinc/51/61/93/542516193.db2.gz FOPJSZPJCLNJHK-HZPDHXFCSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H](NCC1([NH3+])CCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423328595 533361249 /nfs/dbraw/zinc/36/12/49/533361249.db2.gz NYPJFWBXLSBOCR-VXGBXAGGSA-N 1 3 266.816 3.303 20 0 CGADHO C(COCC1CCCC1)N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000313287436 533367236 /nfs/dbraw/zinc/36/72/36/533367236.db2.gz XCXRKMLINCNXKO-KURKYZTESA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408121 533511608 /nfs/dbraw/zinc/51/16/08/533511608.db2.gz WZVYSNROMJMLQY-OSLDLMBLSA-N 1 3 268.404 3.474 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@H](C)C1CCCCC1 ZINC000423363926 533546467 /nfs/dbraw/zinc/54/64/67/533546467.db2.gz CDGQKKBGCGJGAL-CTASWTNQSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cc(C)c(CNC[C@@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000057994062 392111771 /nfs/dbraw/zinc/11/17/71/392111771.db2.gz MVMLKEAGASGANG-OAHLLOKOSA-N 1 3 274.452 3.433 20 0 CGADHO C[C@@H]1CCC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000086675277 392224959 /nfs/dbraw/zinc/22/49/59/392224959.db2.gz KDUUBJXOYSIOLG-ZBFHGGJFSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877619 392350689 /nfs/dbraw/zinc/35/06/89/392350689.db2.gz QKLFMIAALWHUAX-DNVCBOLYSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877619 392350695 /nfs/dbraw/zinc/35/06/95/392350695.db2.gz QKLFMIAALWHUAX-DNVCBOLYSA-N 1 3 295.430 3.178 20 0 CGADHO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000113515551 392382667 /nfs/dbraw/zinc/38/26/67/392382667.db2.gz FNGRIRJZQWEDQB-INIZCTEOSA-N 1 3 260.425 3.194 20 0 CGADHO CC(C)c1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000113515551 392382673 /nfs/dbraw/zinc/38/26/73/392382673.db2.gz FNGRIRJZQWEDQB-INIZCTEOSA-N 1 3 260.425 3.194 20 0 CGADHO Cc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000302555018 392616145 /nfs/dbraw/zinc/61/61/45/392616145.db2.gz JKTMPFPUKSRMHD-IAGOWNOFSA-N 1 3 287.451 3.481 20 0 CGADHO Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000302555018 392616151 /nfs/dbraw/zinc/61/61/51/392616151.db2.gz JKTMPFPUKSRMHD-IAGOWNOFSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289964 392640428 /nfs/dbraw/zinc/64/04/28/392640428.db2.gz RCDZTGUZWSOBBJ-PVAVHDDUSA-N 1 3 275.440 3.241 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289964 392640430 /nfs/dbraw/zinc/64/04/30/392640430.db2.gz RCDZTGUZWSOBBJ-PVAVHDDUSA-N 1 3 275.440 3.241 20 0 CGADHO c1ccc2c(c1)ccnc2CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647483200 392738935 /nfs/dbraw/zinc/73/89/35/392738935.db2.gz BGZRRYZZFMOAAZ-SFHVURJKSA-N 1 3 295.430 3.199 20 0 CGADHO Cc1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1C ZINC000647483024 392739185 /nfs/dbraw/zinc/73/91/85/392739185.db2.gz RWUZBZBLEQIHJK-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1C ZINC000647483024 392739187 /nfs/dbraw/zinc/73/91/87/392739187.db2.gz RWUZBZBLEQIHJK-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000647542079 392758412 /nfs/dbraw/zinc/75/84/12/392758412.db2.gz SGVRSJVPHYGWCF-MRXNPFEDSA-N 1 3 292.854 3.470 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337987439 392895244 /nfs/dbraw/zinc/89/52/44/392895244.db2.gz KVDNPXFGFHRKNS-DLBZAZTESA-N 1 3 264.457 3.277 20 0 CGADHO Clc1ccc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647988436 392858225 /nfs/dbraw/zinc/85/82/25/392858225.db2.gz JIROSPZFLVKRAV-CYBMUJFWSA-N 1 3 278.827 3.129 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H](C)c2ccccc2)C1 ZINC000221287466 393008147 /nfs/dbraw/zinc/00/81/47/393008147.db2.gz LTNVPHFHZILXQG-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000648438683 393017175 /nfs/dbraw/zinc/01/71/75/393017175.db2.gz ZOXDKOGRHZQXGR-ZWKOTPCHSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc(-c2cccc(C[NH2+][C@@H](C)[C@H](C)N)c2)cc1 ZINC000415007044 393091659 /nfs/dbraw/zinc/09/16/59/393091659.db2.gz LBJRCGQZDZBXAT-GJZGRUSLSA-N 1 3 268.404 3.487 20 0 CGADHO CCc1cccc(Cl)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011218 393093285 /nfs/dbraw/zinc/09/32/85/393093285.db2.gz QPATZRODEVYRJJ-WMLDXEAASA-N 1 3 292.854 3.380 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2ccc(F)cc2Cl)CC1 ZINC000415024893 393101508 /nfs/dbraw/zinc/10/15/08/393101508.db2.gz OKRILHXFIQDAOT-HAQNSBGRSA-N 1 3 284.806 3.334 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1cc(C(F)(F)F)ccc1F ZINC000415025109 393101720 /nfs/dbraw/zinc/10/17/20/393101720.db2.gz QHJXSVJHMMOPLJ-VIFPVBQESA-N 1 3 278.293 3.062 20 0 CGADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCO1 ZINC000249377208 393103937 /nfs/dbraw/zinc/10/39/37/393103937.db2.gz PXJOTGGNFNKFNU-QZTJIDSGSA-N 1 3 294.483 3.144 20 0 CGADHO Cc1cc(F)c(CN[C@H]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000415030793 393105214 /nfs/dbraw/zinc/10/52/14/393105214.db2.gz GHVYCBJKXOEXTE-QWRGUYRKSA-N 1 3 270.779 3.005 20 0 CGADHO C[C@H]1C[C@H](CN2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700852 393052782 /nfs/dbraw/zinc/05/27/82/393052782.db2.gz GQGVGXUXJQOMHY-QWHCGFSZSA-N 1 3 278.827 3.086 20 0 CGADHO C[C@H]([NH3+])CCNCCCc1c(Cl)cccc1Cl ZINC000414822656 393054495 /nfs/dbraw/zinc/05/44/95/393054495.db2.gz NJZHXLSQRSYWTC-JTQLQIEISA-N 1 3 275.223 3.253 20 0 CGADHO C[C@H](N)CC[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414822656 393054502 /nfs/dbraw/zinc/05/45/02/393054502.db2.gz NJZHXLSQRSYWTC-JTQLQIEISA-N 1 3 275.223 3.253 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CCC[C@H]1c1ccccc1Cl)C1CC1 ZINC000414895269 393058221 /nfs/dbraw/zinc/05/82/21/393058221.db2.gz WOMDSBBHTRXJIL-NUEKZKHPSA-N 1 3 278.827 3.303 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC000414950988 393060322 /nfs/dbraw/zinc/06/03/22/393060322.db2.gz PIKWKQPXWTXIGX-VDHUWJSZSA-N 1 3 272.436 3.128 20 0 CGADHO CCCC1CCC(C[NH2+][C@@H]2CCNC[C@@H]2C)CC1 ZINC000414951639 393061509 /nfs/dbraw/zinc/06/15/09/393061509.db2.gz HVHJSMWVKBWHML-SLTXQBBLSA-N 1 3 252.446 3.181 20 0 CGADHO c1nc(C2CCC2)sc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414961593 393067976 /nfs/dbraw/zinc/06/79/76/393067976.db2.gz BGMBLJRZBBDNHR-ZDUSSCGKSA-N 1 3 279.453 3.032 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CCO1 ZINC000648510805 393073273 /nfs/dbraw/zinc/07/32/73/393073273.db2.gz XVJWBXKNEHZYFY-YFHUEUNASA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000347932302 393110308 /nfs/dbraw/zinc/11/03/08/393110308.db2.gz MAIVDXFOSMZIFX-ZFWWWQNUSA-N 1 3 250.430 3.029 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000415045451 393111050 /nfs/dbraw/zinc/11/10/50/393111050.db2.gz UAZPJAWAERSEIL-CMPLNLGQSA-N 1 3 293.461 3.089 20 0 CGADHO COc1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415050586 393113311 /nfs/dbraw/zinc/11/33/11/393113311.db2.gz IQWZGZAALCHRNQ-GOSISDBHSA-N 1 3 284.403 3.265 20 0 CGADHO C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@@]1(C)C[NH3+] ZINC000415055293 393117285 /nfs/dbraw/zinc/11/72/85/393117285.db2.gz OGFJRDPQVKODRV-MLGOLLRUSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@@]1(C)CN ZINC000415055293 393117294 /nfs/dbraw/zinc/11/72/94/393117294.db2.gz OGFJRDPQVKODRV-MLGOLLRUSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@@]1(C)CN ZINC000415055293 393117302 /nfs/dbraw/zinc/11/73/02/393117302.db2.gz OGFJRDPQVKODRV-MLGOLLRUSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@H](CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060170 393122110 /nfs/dbraw/zinc/12/21/10/393122110.db2.gz YHNRHKWBLPOROJ-QGPMSJSTSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC(C)(C)Cc1ccccc1 ZINC000415080254 393133421 /nfs/dbraw/zinc/13/34/21/393133421.db2.gz JCRQAIMAFDKMGR-NVXWUHKLSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1ccc(F)cc1Cl ZINC000415083047 393135662 /nfs/dbraw/zinc/13/56/62/393135662.db2.gz DYBAGBLIHBTCTO-SMDDNHRTSA-N 1 3 284.806 3.142 20 0 CGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000415082454 393135800 /nfs/dbraw/zinc/13/58/00/393135800.db2.gz OJSXUXYWGNUNPR-OIISXLGYSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)c1ccc(C)cc1 ZINC000415082454 393135806 /nfs/dbraw/zinc/13/58/06/393135806.db2.gz OJSXUXYWGNUNPR-OIISXLGYSA-N 1 3 260.425 3.424 20 0 CGADHO c1ccc(C[C@H]([NH2+]C2CCNCC2)c2ccccc2)cc1 ZINC000415081890 393137044 /nfs/dbraw/zinc/13/70/44/393137044.db2.gz CPKLOMSASOAKTK-IBGZPJMESA-N 1 3 280.415 3.312 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000415087036 393138933 /nfs/dbraw/zinc/13/89/33/393138933.db2.gz KHCHAXXZBYKCBV-IPMKNSEASA-N 1 3 286.463 3.356 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C[C@H]1CN ZINC000415128894 393152527 /nfs/dbraw/zinc/15/25/27/393152527.db2.gz OPTDYKBMQPFFRF-IAGOWNOFSA-N 1 3 290.451 3.152 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@H]1CN ZINC000415128894 393152532 /nfs/dbraw/zinc/15/25/32/393152532.db2.gz OPTDYKBMQPFFRF-IAGOWNOFSA-N 1 3 290.451 3.152 20 0 CGADHO C[C@@H]1CCN(CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000415128894 393152538 /nfs/dbraw/zinc/15/25/38/393152538.db2.gz OPTDYKBMQPFFRF-IAGOWNOFSA-N 1 3 290.451 3.152 20 0 CGADHO CCC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471835229 393315616 /nfs/dbraw/zinc/31/56/16/393315616.db2.gz UXCXKTIFHYOXRP-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO CCC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471835229 393315623 /nfs/dbraw/zinc/31/56/23/393315623.db2.gz UXCXKTIFHYOXRP-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000472041508 393327975 /nfs/dbraw/zinc/32/79/75/393327975.db2.gz NEWVKYZVNVXTAF-OAHLLOKOSA-N 1 3 285.435 3.216 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000648825335 393266078 /nfs/dbraw/zinc/26/60/78/393266078.db2.gz WJYWKPCTQQHCRG-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO CCC[C@H]1CCCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296367 393453699 /nfs/dbraw/zinc/45/36/99/393453699.db2.gz DKJGAHKRCCREDS-DOTOQJQBSA-N 1 3 290.451 3.250 20 0 CGADHO C[C@H](N)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000420302035 393456310 /nfs/dbraw/zinc/45/63/10/393456310.db2.gz LUWWSCJTRGBLML-AWEZNQCLSA-N 1 3 268.404 3.366 20 0 CGADHO CC[N@H+](CCCOCc1ccccc1)[C@@H]1CCCNCC1 ZINC000420306537 393457513 /nfs/dbraw/zinc/45/75/13/393457513.db2.gz HUGKNWKKQGQWFD-GOSISDBHSA-N 1 3 290.451 3.057 20 0 CGADHO CC[N@@H+](CCCOCc1ccccc1)[C@@H]1CCCNCC1 ZINC000420306537 393457517 /nfs/dbraw/zinc/45/75/17/393457517.db2.gz HUGKNWKKQGQWFD-GOSISDBHSA-N 1 3 290.451 3.057 20 0 CGADHO CC[N@H+](CCCc1ccccc1OC)[C@@H]1CCCNCC1 ZINC000420311539 393461405 /nfs/dbraw/zinc/46/14/05/393461405.db2.gz NNAJIARNZYDJMD-QGZVFWFLSA-N 1 3 290.451 3.092 20 0 CGADHO CC[N@@H+](CCCc1ccccc1OC)[C@@H]1CCCNCC1 ZINC000420311539 393461412 /nfs/dbraw/zinc/46/14/12/393461412.db2.gz NNAJIARNZYDJMD-QGZVFWFLSA-N 1 3 290.451 3.092 20 0 CGADHO CCc1nc(C)c([C@@H](C)N(C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420321358 393466437 /nfs/dbraw/zinc/46/64/37/393466437.db2.gz RAYPCWZHQUFNDE-ZIAGYGMSSA-N 1 3 295.496 3.396 20 0 CGADHO Cc1cccc2c1C[N@H+](CC[C@@H]1CCCCN1C)CC2 ZINC000429567984 393483709 /nfs/dbraw/zinc/48/37/09/393483709.db2.gz MYAYUSOURPBORN-KRWDZBQOSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1cccc2c1C[N@@H+](CC[C@@H]1CCCCN1C)CC2 ZINC000429567984 393483713 /nfs/dbraw/zinc/48/37/13/393483713.db2.gz MYAYUSOURPBORN-KRWDZBQOSA-N 1 3 272.436 3.228 20 0 CGADHO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359636 393472889 /nfs/dbraw/zinc/47/28/89/393472889.db2.gz GFRXHGGQYZMIJD-UHIISALHSA-N 1 3 286.341 3.182 20 0 CGADHO C[C@H]([NH2+][C@@H]1[C@@H](C)CCN[C@H]1C)c1cccc(Cl)c1 ZINC000420376162 393478224 /nfs/dbraw/zinc/47/82/24/393478224.db2.gz UUNQTBSFZCLTKI-JUFZMCDQSA-N 1 3 266.816 3.377 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@H]2C)CS1 ZINC000488437983 393513352 /nfs/dbraw/zinc/51/33/52/393513352.db2.gz LREYCRLTXIVETQ-OAGGEKHMSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)CS1 ZINC000488437983 393513356 /nfs/dbraw/zinc/51/33/56/393513356.db2.gz LREYCRLTXIVETQ-OAGGEKHMSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000488437983 393513362 /nfs/dbraw/zinc/51/33/62/393513362.db2.gz LREYCRLTXIVETQ-OAGGEKHMSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)CS1 ZINC000488452834 393520839 /nfs/dbraw/zinc/52/08/39/393520839.db2.gz YNKFMEKTGQMAOM-JYJNAYRXSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)CS1 ZINC000488452834 393520842 /nfs/dbraw/zinc/52/08/42/393520842.db2.gz YNKFMEKTGQMAOM-JYJNAYRXSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452834 393520845 /nfs/dbraw/zinc/52/08/45/393520845.db2.gz YNKFMEKTGQMAOM-JYJNAYRXSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488466544 393524651 /nfs/dbraw/zinc/52/46/51/393524651.db2.gz VXIZKMJKXVTFFP-UONOGXRCSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488466544 393524655 /nfs/dbraw/zinc/52/46/55/393524655.db2.gz VXIZKMJKXVTFFP-UONOGXRCSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488466544 393524659 /nfs/dbraw/zinc/52/46/59/393524659.db2.gz VXIZKMJKXVTFFP-UONOGXRCSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCCOc1cccc(C(C)(C)C)c1 ZINC000430541534 393572451 /nfs/dbraw/zinc/57/24/51/393572451.db2.gz BJHJSGSWXHVRRG-GOSISDBHSA-N 1 3 292.467 3.326 20 0 CGADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000666859938 542821596 /nfs/dbraw/zinc/82/15/96/542821596.db2.gz IBKMSIWTHPUFFN-ZSYWTGECSA-N 1 3 299.462 3.157 20 0 CGADHO [NH3+]C[C@H]1CCCN(CCCOc2cccc3ccccc32)C1 ZINC000430627781 393582173 /nfs/dbraw/zinc/58/21/73/393582173.db2.gz NKWMNMBQHJPHQJ-MRXNPFEDSA-N 1 3 298.430 3.279 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424299858 393680194 /nfs/dbraw/zinc/68/01/94/393680194.db2.gz WAHRESYLMDHIKL-ZDUSSCGKSA-N 1 3 278.827 3.304 20 0 CGADHO CC(C)(C)OC1CC(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000432424548 393612998 /nfs/dbraw/zinc/61/29/98/393612998.db2.gz JMXUGRVPROCOMY-VUROTCPHSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000432424548 393613000 /nfs/dbraw/zinc/61/30/00/393613000.db2.gz JMXUGRVPROCOMY-VUROTCPHSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432424548 393613003 /nfs/dbraw/zinc/61/30/03/393613003.db2.gz JMXUGRVPROCOMY-VUROTCPHSA-N 1 3 294.483 3.187 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090767 393632156 /nfs/dbraw/zinc/63/21/56/393632156.db2.gz OHCQVQSVLFXEEO-UKRRQHHQSA-N 1 3 296.405 3.312 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090767 393632159 /nfs/dbraw/zinc/63/21/59/393632159.db2.gz OHCQVQSVLFXEEO-UKRRQHHQSA-N 1 3 296.405 3.312 20 0 CGADHO FCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000361000989 393635314 /nfs/dbraw/zinc/63/53/14/393635314.db2.gz DFGRDWABAGVLLH-UHFFFAOYSA-N 1 3 256.409 3.123 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423048253 393649186 /nfs/dbraw/zinc/64/91/86/393649186.db2.gz WJSRSORMOODETR-DTDBQYNISA-N 1 3 288.435 3.315 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423079233 393650480 /nfs/dbraw/zinc/65/04/80/393650480.db2.gz QGMLKLPVBULGLW-OWSLCNJRSA-N 1 3 272.436 3.430 20 0 CGADHO CCO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1ccccc1 ZINC000423090372 393650586 /nfs/dbraw/zinc/65/05/86/393650586.db2.gz VHWNDTHIVLGRKZ-BRWVUGGUSA-N 1 3 276.424 3.014 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083969 393650873 /nfs/dbraw/zinc/65/08/73/393650873.db2.gz GRRLERKAUSUEKO-GMZLATJGSA-N 1 3 264.388 3.177 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@H]2CCNC2)C2CCCCC2)cc1 ZINC000423205348 393654529 /nfs/dbraw/zinc/65/45/29/393654529.db2.gz PFTACDFFIRICRA-ROUUACIJSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423223291 393654799 /nfs/dbraw/zinc/65/47/99/393654799.db2.gz FTGPFNLMRMGSPQ-UFBFGSQYSA-N 1 3 273.207 3.308 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CCCCCC1)[C@H]1CCCNC1 ZINC000423212906 393654893 /nfs/dbraw/zinc/65/48/93/393654893.db2.gz JEKOZINYYHWDDR-DZKIICNBSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H](N)C(C)C ZINC000423282842 393658923 /nfs/dbraw/zinc/65/89/23/393658923.db2.gz WOGDUPMKNLYQBL-RDJZCZTQSA-N 1 3 285.435 3.427 20 0 CGADHO CC(C)c1ccc2c(c1)[C@H](NC[C@@H](C)C[NH3+])CCCO2 ZINC000423296851 393659943 /nfs/dbraw/zinc/65/99/43/393659943.db2.gz HTDPIKNCRNWEEV-XJKSGUPXSA-N 1 3 276.424 3.208 20 0 CGADHO CCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000423379361 393665141 /nfs/dbraw/zinc/66/51/41/393665141.db2.gz XJKLOZOUNOGDBD-IHRRRGAJSA-N 1 3 252.427 3.449 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)[C@@H](C)N)CCS2 ZINC000423442914 393667369 /nfs/dbraw/zinc/66/73/69/393667369.db2.gz KHACRVGBSANTRB-YRGRVCCFSA-N 1 3 264.438 3.166 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@@H](C)N)CCS2 ZINC000423442909 393667739 /nfs/dbraw/zinc/66/77/39/393667739.db2.gz KHACRVGBSANTRB-MBNYWOFBSA-N 1 3 264.438 3.166 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@H](NCCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423489410 393670348 /nfs/dbraw/zinc/67/03/48/393670348.db2.gz WLKATHFTHZLQSK-WCQYABFASA-N 1 3 298.352 3.213 20 0 CGADHO Clc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666950950 542828020 /nfs/dbraw/zinc/82/80/20/542828020.db2.gz SPLCDYGOLCXCJD-CYBMUJFWSA-N 1 3 285.218 3.225 20 0 CGADHO COc1ccc2ccccc2c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950743 542828402 /nfs/dbraw/zinc/82/84/02/542828402.db2.gz DIINGFZGWQHKJH-GOSISDBHSA-N 1 3 296.414 3.080 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000435374250 393714604 /nfs/dbraw/zinc/71/46/04/393714604.db2.gz PNGWEGKCASRUJE-WMLDXEAASA-N 1 3 260.425 3.022 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000435380031 393714780 /nfs/dbraw/zinc/71/47/80/393714780.db2.gz PEYWFJNPKANZRP-PBHICJAKSA-N 1 3 260.425 3.022 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cncc(F)c2)C1 ZINC000494611197 393776389 /nfs/dbraw/zinc/77/63/89/393776389.db2.gz AUFPQZSGSJEUNI-GJZGRUSLSA-N 1 3 293.430 3.068 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000502854643 393885989 /nfs/dbraw/zinc/88/59/89/393885989.db2.gz DSTAPUUMPODRFL-MRXNPFEDSA-N 1 3 280.843 3.299 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000502854643 393885992 /nfs/dbraw/zinc/88/59/92/393885992.db2.gz DSTAPUUMPODRFL-MRXNPFEDSA-N 1 3 280.843 3.299 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993860 542832460 /nfs/dbraw/zinc/83/24/60/542832460.db2.gz PCIIPYHLTCXTBX-HIFRSBDPSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993860 542832462 /nfs/dbraw/zinc/83/24/62/542832462.db2.gz PCIIPYHLTCXTBX-HIFRSBDPSA-N 1 3 276.399 3.021 20 0 CGADHO C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995790 542833786 /nfs/dbraw/zinc/83/37/86/542833786.db2.gz ZYJVNPHSKQZYGG-OAGGEKHMSA-N 1 3 262.441 3.220 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555356 394016445 /nfs/dbraw/zinc/01/64/45/394016445.db2.gz AQXQUBODERRPOP-ZBFHGGJFSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555356 394016447 /nfs/dbraw/zinc/01/64/47/394016447.db2.gz AQXQUBODERRPOP-ZBFHGGJFSA-N 1 3 250.430 3.149 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453077501 394162887 /nfs/dbraw/zinc/16/28/87/394162887.db2.gz RCJUEEVEGWQQEW-INIZCTEOSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453077502 394163023 /nfs/dbraw/zinc/16/30/23/394163023.db2.gz RCJUEEVEGWQQEW-MRXNPFEDSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000453083936 394166415 /nfs/dbraw/zinc/16/64/15/394166415.db2.gz WIXJSVJWNNWMKB-SFHVURJKSA-N 1 3 283.419 3.384 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453109422 394174275 /nfs/dbraw/zinc/17/42/75/394174275.db2.gz PLHCNTPTSMCIRN-RHSMWYFYSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)CC[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000668513497 543021653 /nfs/dbraw/zinc/02/16/53/543021653.db2.gz SGWBROFRMZZJEK-UHFFFAOYSA-N 1 3 289.467 3.319 20 0 CGADHO C([NH2+]C1CC2(CCC2)C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000668820595 543066565 /nfs/dbraw/zinc/06/65/65/543066565.db2.gz WXTFUXCMJDKSKN-HNNXBMFYSA-N 1 3 262.441 3.031 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000394842805 397696497 /nfs/dbraw/zinc/69/64/97/397696497.db2.gz ZZGVHLPXXXPTEA-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650717763 397900886 /nfs/dbraw/zinc/90/08/86/397900886.db2.gz LRBMUVWDWFEUGU-GFCCVEGCSA-N 1 3 290.357 3.144 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000650757151 397910312 /nfs/dbraw/zinc/91/03/12/397910312.db2.gz PULGDQIIRYHEEL-KXBFYZLASA-N 1 3 298.430 3.272 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000650758269 397910349 /nfs/dbraw/zinc/91/03/49/397910349.db2.gz MDEXCXSTQJARIQ-IFXJQAMLSA-N 1 3 280.415 3.429 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](c1cccnc1)C1CCC1 ZINC000650757318 397910532 /nfs/dbraw/zinc/91/05/32/397910532.db2.gz UNSQWGKGCARDSA-LJQANCHMSA-N 1 3 295.430 3.432 20 0 CGADHO COC1([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCCCC1 ZINC000421828567 292149583 /nfs/dbraw/zinc/14/95/83/292149583.db2.gz DJDGRCYSTZMWBU-HRCADAONSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000677240017 543441210 /nfs/dbraw/zinc/44/12/10/543441210.db2.gz CZQIODJPPJQDOT-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677240017 543441212 /nfs/dbraw/zinc/44/12/12/543441212.db2.gz CZQIODJPPJQDOT-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240017 543441214 /nfs/dbraw/zinc/44/12/14/543441214.db2.gz CZQIODJPPJQDOT-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278176 543509954 /nfs/dbraw/zinc/50/99/54/543509954.db2.gz NUEDWFLJNDVZBK-RHSMWYFYSA-N 1 3 272.436 3.479 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278176 543509955 /nfs/dbraw/zinc/50/99/55/543509955.db2.gz NUEDWFLJNDVZBK-RHSMWYFYSA-N 1 3 272.436 3.479 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000678728843 543550801 /nfs/dbraw/zinc/55/08/01/543550801.db2.gz PXMJXFFOWOIFJS-INIZCTEOSA-N 1 3 274.452 3.284 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000678898801 543570039 /nfs/dbraw/zinc/57/00/39/543570039.db2.gz SUWQMLNOEBMGPJ-QRQLOZEOSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C1CCCCC1)CN1CCCC1 ZINC000062078663 286960048 /nfs/dbraw/zinc/96/00/48/286960048.db2.gz IYWPXJZAYJPPJO-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cccc3cccnc32)CC1 ZINC000077249873 287038487 /nfs/dbraw/zinc/03/84/87/287038487.db2.gz KIEBBKGNZBYPTG-UHFFFAOYSA-N 1 3 283.419 3.151 20 0 CGADHO C[C@]1(CN2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC000062912473 165031722 /nfs/dbraw/zinc/03/17/22/165031722.db2.gz ZJYBBQJESFHEOP-HNNXBMFYSA-N 1 3 250.430 3.032 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070091556 165053605 /nfs/dbraw/zinc/05/36/05/165053605.db2.gz GBZGKSGTLFLUSF-CHWSQXEVSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000070091556 165053608 /nfs/dbraw/zinc/05/36/08/165053608.db2.gz GBZGKSGTLFLUSF-CHWSQXEVSA-N 1 3 264.438 3.191 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000089147511 165200114 /nfs/dbraw/zinc/20/01/14/165200114.db2.gz ODXXEABSMFKXOG-RISCZKNCSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccc(Cl)cc1Cl ZINC000089147511 165200116 /nfs/dbraw/zinc/20/01/16/165200116.db2.gz ODXXEABSMFKXOG-RISCZKNCSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccn1 ZINC000089215187 165201459 /nfs/dbraw/zinc/20/14/59/165201459.db2.gz VLSNUBDBRRVJGM-OAHLLOKOSA-N 1 3 296.418 3.044 20 0 CGADHO C[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(OCCN(C)C)c1 ZINC000090036112 165223361 /nfs/dbraw/zinc/22/33/61/165223361.db2.gz ANDNXHYSHQSPEK-RDJZCZTQSA-N 1 3 288.435 3.386 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000092383410 165293269 /nfs/dbraw/zinc/29/32/69/165293269.db2.gz BKARWAVVCCOJFK-GOSISDBHSA-N 1 3 288.435 3.148 20 0 CGADHO C[NH+](C)CCC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000092381327 287111559 /nfs/dbraw/zinc/11/15/59/287111559.db2.gz MMTIUESKLNHBRC-UHFFFAOYSA-N 1 3 293.480 3.184 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000116387770 287157379 /nfs/dbraw/zinc/15/73/79/287157379.db2.gz OHQOXKCFHVNMTG-AEFFLSMTSA-N 1 3 274.452 3.329 20 0 CGADHO CC[C@@H]([NH2+]CCCN(C)C1CCCCC1)[C@@H]1CCOC1 ZINC000120777669 287187048 /nfs/dbraw/zinc/18/70/48/287187048.db2.gz JEXHBMQQHLFJPT-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H]([NH2+]CCCN(C)C1CCCCC1)[C@H]1CCOC1 ZINC000120778018 287187261 /nfs/dbraw/zinc/18/72/61/287187261.db2.gz JEXHBMQQHLFJPT-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)CN1CCCC1 ZINC000084988535 298785657 /nfs/dbraw/zinc/78/56/57/298785657.db2.gz NYLPVYHSOCAPMN-FXUDXRNXSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(F)c(F)c1 ZINC000020128820 171016086 /nfs/dbraw/zinc/01/60/86/171016086.db2.gz WQEORVMXHOJNJN-CYBMUJFWSA-N 1 3 282.378 3.491 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(F)c1 ZINC000020128841 171016332 /nfs/dbraw/zinc/01/63/32/171016332.db2.gz CAKWEDIOCHLGRA-AWEZNQCLSA-N 1 3 264.388 3.352 20 0 CGADHO C[C@H](C[NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000020128868 171016636 /nfs/dbraw/zinc/01/66/36/171016636.db2.gz XAXRKKLSJKSTRT-MRXNPFEDSA-N 1 3 260.425 3.256 20 0 CGADHO Cc1cc(C[NH2+]CCCN2CCC(C)CC2)cc(C)c1O ZINC000020307124 171142807 /nfs/dbraw/zinc/14/28/07/171142807.db2.gz ZTBHHMPMIBQQTE-UHFFFAOYSA-N 1 3 290.451 3.221 20 0 CGADHO C[C@@H](c1cccc2ccccc21)N1CCC([NH3+])CC1 ZINC000020521572 171235325 /nfs/dbraw/zinc/23/53/25/171235325.db2.gz QTAMNYUYNKXTEH-ZDUSSCGKSA-N 1 3 254.377 3.324 20 0 CGADHO COC[C@@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000126489494 287266201 /nfs/dbraw/zinc/26/62/01/287266201.db2.gz UHTHJXJRHWYLJF-MRXNPFEDSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC2(CCC2)C1 ZINC000448056598 287268374 /nfs/dbraw/zinc/26/83/74/287268374.db2.gz PBFPJUXAABMCSJ-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccco1)CN1CCCCC1 ZINC000038041958 174044408 /nfs/dbraw/zinc/04/44/08/174044408.db2.gz GZYQTEVHSGHCJR-HOTGVXAUSA-N 1 3 278.440 3.312 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000038097978 174112234 /nfs/dbraw/zinc/11/22/34/174112234.db2.gz LXSSKUCIDNLIGV-HNNXBMFYSA-N 1 3 260.425 3.438 20 0 CGADHO COc1ccc2cc(CN3CCC[C@@H](C[NH3+])C3)ccc2c1 ZINC000044527749 175192468 /nfs/dbraw/zinc/19/24/68/175192468.db2.gz RUZJWQVPKPSKFF-HNNXBMFYSA-N 1 3 284.403 3.019 20 0 CGADHO CCOC[C@H](C)NCc1ccccc1C[NH+](CC)CC ZINC000128694387 287316151 /nfs/dbraw/zinc/31/61/51/287316151.db2.gz KZBAGTVKAXJHHA-HNNXBMFYSA-N 1 3 278.440 3.043 20 0 CGADHO C[C@H]1CCCN(Cc2ccc3ncccc3c2)[C@H]1CC[NH3+] ZINC000404369270 416552621 /nfs/dbraw/zinc/55/26/21/416552621.db2.gz IFOOAHKCLMEYEI-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)[C@H]1CCN ZINC000404369270 416552627 /nfs/dbraw/zinc/55/26/27/416552627.db2.gz IFOOAHKCLMEYEI-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@H]1CCN ZINC000404369270 416552629 /nfs/dbraw/zinc/55/26/29/416552629.db2.gz IFOOAHKCLMEYEI-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCCN(Cc2ccnc3ccccc23)[C@@H]1CC[NH3+] ZINC000404319563 416552910 /nfs/dbraw/zinc/55/29/10/416552910.db2.gz IOVCTCWEVNOUGG-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)[C@@H]1CCN ZINC000404319563 416552912 /nfs/dbraw/zinc/55/29/12/416552912.db2.gz IOVCTCWEVNOUGG-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@@H]1CCN ZINC000404319563 416552914 /nfs/dbraw/zinc/55/29/14/416552914.db2.gz IOVCTCWEVNOUGG-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000404452699 416554742 /nfs/dbraw/zinc/55/47/42/416554742.db2.gz ZORZNHMVFFPARH-RISCZKNCSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)s1 ZINC000404452699 416554746 /nfs/dbraw/zinc/55/47/46/416554746.db2.gz ZORZNHMVFFPARH-RISCZKNCSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)s1 ZINC000404452699 416554749 /nfs/dbraw/zinc/55/47/49/416554749.db2.gz ZORZNHMVFFPARH-RISCZKNCSA-N 1 3 252.427 3.006 20 0 CGADHO CCOc1cccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404443648 416555262 /nfs/dbraw/zinc/55/52/62/416555262.db2.gz WCCDLMLGJKLSKX-YOEHRIQHSA-N 1 3 276.424 3.035 20 0 CGADHO CC1(C)CC[C@H]([NH2+]Cc2cccc3c2CCNC3)C1 ZINC000133188422 416516423 /nfs/dbraw/zinc/51/64/23/416516423.db2.gz BXIBIFBRBGMZNU-HNNXBMFYSA-N 1 3 258.409 3.001 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682069798 543819596 /nfs/dbraw/zinc/81/95/96/543819596.db2.gz ADLABSAOMFIACS-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682069798 543819597 /nfs/dbraw/zinc/81/95/97/543819597.db2.gz ADLABSAOMFIACS-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069798 543819599 /nfs/dbraw/zinc/81/95/99/543819599.db2.gz ADLABSAOMFIACS-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069798 543819600 /nfs/dbraw/zinc/81/96/00/543819600.db2.gz ADLABSAOMFIACS-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000682075809 543822338 /nfs/dbraw/zinc/82/23/38/543822338.db2.gz ZQEQSROKMXYEQH-YJBOKZPZSA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000682075809 543822340 /nfs/dbraw/zinc/82/23/40/543822340.db2.gz ZQEQSROKMXYEQH-YJBOKZPZSA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000682075809 543822342 /nfs/dbraw/zinc/82/23/42/543822342.db2.gz ZQEQSROKMXYEQH-YJBOKZPZSA-N 1 3 270.420 3.092 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000682916652 543878147 /nfs/dbraw/zinc/87/81/47/543878147.db2.gz QHNJPQPDFUNGOR-CQSZACIVSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@H](Cc1cccs1)NCC(C)(C)C[NH+]1CCCC1 ZINC000682916652 543878149 /nfs/dbraw/zinc/87/81/49/543878149.db2.gz QHNJPQPDFUNGOR-CQSZACIVSA-N 1 3 280.481 3.391 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000683816152 543943681 /nfs/dbraw/zinc/94/36/81/543943681.db2.gz LMNZSMIEDKPYII-JZXOWHBKSA-N 1 3 290.451 3.084 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000683816152 543943684 /nfs/dbraw/zinc/94/36/84/543943684.db2.gz LMNZSMIEDKPYII-JZXOWHBKSA-N 1 3 290.451 3.084 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832433 543946310 /nfs/dbraw/zinc/94/63/10/543946310.db2.gz SSYHNNMMFWQECL-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832433 543946311 /nfs/dbraw/zinc/94/63/11/543946311.db2.gz SSYHNNMMFWQECL-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832433 543946312 /nfs/dbraw/zinc/94/63/12/543946312.db2.gz SSYHNNMMFWQECL-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832433 543946313 /nfs/dbraw/zinc/94/63/13/543946313.db2.gz SSYHNNMMFWQECL-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000685838059 544099928 /nfs/dbraw/zinc/09/99/28/544099928.db2.gz AMMPXODDXROTIW-INIZCTEOSA-N 1 3 286.463 3.065 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685838059 544099931 /nfs/dbraw/zinc/09/99/31/544099931.db2.gz AMMPXODDXROTIW-INIZCTEOSA-N 1 3 286.463 3.065 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000685838059 544099933 /nfs/dbraw/zinc/09/99/33/544099933.db2.gz AMMPXODDXROTIW-INIZCTEOSA-N 1 3 286.463 3.065 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000536827202 288504191 /nfs/dbraw/zinc/50/41/91/288504191.db2.gz POTBGIXFKYBGQZ-WMZOPIPTSA-N 1 3 287.451 3.466 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000652306790 418951178 /nfs/dbraw/zinc/95/11/78/418951178.db2.gz CWNGRINUFUSHCY-KSZLIROESA-N 1 3 272.436 3.211 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000652306790 418951179 /nfs/dbraw/zinc/95/11/79/418951179.db2.gz CWNGRINUFUSHCY-KSZLIROESA-N 1 3 272.436 3.211 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956659 419045246 /nfs/dbraw/zinc/04/52/46/419045246.db2.gz LPFGIWPLXBFXHK-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659956659 419045249 /nfs/dbraw/zinc/04/52/49/419045249.db2.gz LPFGIWPLXBFXHK-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659956659 419045251 /nfs/dbraw/zinc/04/52/51/419045251.db2.gz LPFGIWPLXBFXHK-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO CC(C)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000665241439 419088252 /nfs/dbraw/zinc/08/82/52/419088252.db2.gz MPNOWCUQCUIRMT-WWGRRREGSA-N 1 3 264.388 3.382 20 0 CGADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000665238179 419089319 /nfs/dbraw/zinc/08/93/19/419089319.db2.gz SKPIDJBPOUASCI-CAOSSQGBSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCCC1)[C@@H](C)C2 ZINC000665247557 419090909 /nfs/dbraw/zinc/09/09/09/419090909.db2.gz FDPHMRXGFFPBGC-XJKSGUPXSA-N 1 3 258.409 3.089 20 0 CGADHO CO[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000665275981 419099918 /nfs/dbraw/zinc/09/99/18/419099918.db2.gz WOFWJAUTURXQQV-USXIJHARSA-N 1 3 282.472 3.092 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C2 ZINC000665281784 419103886 /nfs/dbraw/zinc/10/38/86/419103886.db2.gz KPXGFJOMSFRJIG-XKQJLSEDSA-N 1 3 260.425 3.191 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(Cl)ccc2Cl)C1 ZINC000655827725 419110767 /nfs/dbraw/zinc/11/07/67/419110767.db2.gz YVHGWPRAEWXTPM-GSJFWJNXSA-N 1 3 287.234 3.423 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655688281 419064790 /nfs/dbraw/zinc/06/47/90/419064790.db2.gz UZTMHKFXOYSGEU-CRAIPNDOSA-N 1 3 284.447 3.365 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688281 419064793 /nfs/dbraw/zinc/06/47/93/419064793.db2.gz UZTMHKFXOYSGEU-CRAIPNDOSA-N 1 3 284.447 3.365 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694248 419067749 /nfs/dbraw/zinc/06/77/49/419067749.db2.gz FCZPFBFYLHIKEX-WBVHZDCISA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694248 419067752 /nfs/dbraw/zinc/06/77/52/419067752.db2.gz FCZPFBFYLHIKEX-WBVHZDCISA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694248 419067755 /nfs/dbraw/zinc/06/77/55/419067755.db2.gz FCZPFBFYLHIKEX-WBVHZDCISA-N 1 3 272.436 3.222 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000655710488 419072613 /nfs/dbraw/zinc/07/26/13/419072613.db2.gz BYRSLXATQUPOKF-DOTOQJQBSA-N 1 3 272.436 3.222 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000655710488 419072617 /nfs/dbraw/zinc/07/26/17/419072617.db2.gz BYRSLXATQUPOKF-DOTOQJQBSA-N 1 3 272.436 3.222 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc3ccsc32)C1 ZINC000656200041 419149594 /nfs/dbraw/zinc/14/95/94/419149594.db2.gz FFARBIHJGPVBBD-KGLIPLIRSA-N 1 3 260.406 3.261 20 0 CGADHO CC(C)C[NH2+]C1(CO)CCN(CC2CCCCCC2)CC1 ZINC000660694432 419183824 /nfs/dbraw/zinc/18/38/24/419183824.db2.gz BIWNVIRIKQMXNX-UHFFFAOYSA-N 1 3 296.499 3.029 20 0 CGADHO CC(C)CNC1(CO)CC[NH+](CC2CCCCCC2)CC1 ZINC000660694432 419183827 /nfs/dbraw/zinc/18/38/27/419183827.db2.gz BIWNVIRIKQMXNX-UHFFFAOYSA-N 1 3 296.499 3.029 20 0 CGADHO CC[C@H]1C[C@H](NCc2cccc(C[NH+](CC)CC)c2)CO1 ZINC000657315096 419248612 /nfs/dbraw/zinc/24/86/12/419248612.db2.gz KAEDSHAHJXTVMW-ROUUACIJSA-N 1 3 290.451 3.186 20 0 CGADHO CCCOc1ccc(C[NH2+]CC2=CCN(C)CC2)c(C)c1 ZINC000657426696 419276218 /nfs/dbraw/zinc/27/62/18/419276218.db2.gz DVLOIIZLHXITSH-UHFFFAOYSA-N 1 3 288.435 3.135 20 0 CGADHO C[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CC1(F)F ZINC000657663566 419321907 /nfs/dbraw/zinc/32/19/07/419321907.db2.gz BXOCLMSGMZACLN-HNNXBMFYSA-N 1 3 286.410 3.418 20 0 CGADHO C[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1(F)F ZINC000657663566 419321908 /nfs/dbraw/zinc/32/19/08/419321908.db2.gz BXOCLMSGMZACLN-HNNXBMFYSA-N 1 3 286.410 3.418 20 0 CGADHO C[N@H+](CCc1ccc(F)cc1)Cc1cccc2c1CCNC2 ZINC000662251731 419374003 /nfs/dbraw/zinc/37/40/03/419374003.db2.gz DXRZSSXQIWQUBC-UHFFFAOYSA-N 1 3 298.405 3.146 20 0 CGADHO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc2c1CCNC2 ZINC000662251731 419374010 /nfs/dbraw/zinc/37/40/10/419374010.db2.gz DXRZSSXQIWQUBC-UHFFFAOYSA-N 1 3 298.405 3.146 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+](CC)[C@H]1CCCNCC1 ZINC000662266998 419375816 /nfs/dbraw/zinc/37/58/16/419375816.db2.gz PJZWYZCEWKWHHO-STQMWFEESA-N 1 3 262.388 3.132 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+](CC)[C@H]1CCCNCC1 ZINC000662266998 419375820 /nfs/dbraw/zinc/37/58/20/419375820.db2.gz PJZWYZCEWKWHHO-STQMWFEESA-N 1 3 262.388 3.132 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(CCSc2cccc(Cl)c2)C1 ZINC000662266778 419376321 /nfs/dbraw/zinc/37/63/21/419376321.db2.gz OXDVKAHEEIJZJF-RYUDHWBXSA-N 1 3 284.856 3.101 20 0 CGADHO C[N@H+](CCCNC1CC(CF)(CF)C1)C1CCCCC1 ZINC000657831164 419376298 /nfs/dbraw/zinc/37/62/98/419376298.db2.gz YWIQOOGMKGAUNT-UHFFFAOYSA-N 1 3 288.426 3.318 20 0 CGADHO C[N@@H+](CCCNC1CC(CF)(CF)C1)C1CCCCC1 ZINC000657831164 419376307 /nfs/dbraw/zinc/37/63/07/419376307.db2.gz YWIQOOGMKGAUNT-UHFFFAOYSA-N 1 3 288.426 3.318 20 0 CGADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCc2ccccc21 ZINC000662272505 419379829 /nfs/dbraw/zinc/37/98/29/419379829.db2.gz FVQMIGHYVPOTAZ-SJORKVTESA-N 1 3 272.436 3.310 20 0 CGADHO NCC[C@@H]1CCCC[N@H+]1CC[C@H]1CCc2ccccc21 ZINC000662272505 419379833 /nfs/dbraw/zinc/37/98/33/419379833.db2.gz FVQMIGHYVPOTAZ-SJORKVTESA-N 1 3 272.436 3.310 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657930869 419449959 /nfs/dbraw/zinc/44/99/59/419449959.db2.gz ODYSCNVOGQAMLJ-AWEZNQCLSA-N 1 3 288.426 3.032 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H](C)C(C)(C)C(F)F ZINC000658043671 419517961 /nfs/dbraw/zinc/51/79/61/419517961.db2.gz QOUWFQUYGJORBX-GFCCVEGCSA-N 1 3 264.404 3.234 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H](C)C(C)(C)C(F)F ZINC000658043671 419517966 /nfs/dbraw/zinc/51/79/66/419517966.db2.gz QOUWFQUYGJORBX-GFCCVEGCSA-N 1 3 264.404 3.234 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658043671 419517971 /nfs/dbraw/zinc/51/79/71/419517971.db2.gz QOUWFQUYGJORBX-GFCCVEGCSA-N 1 3 264.404 3.234 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CCc1ccsc1 ZINC000663501699 419637757 /nfs/dbraw/zinc/63/77/57/419637757.db2.gz BJEJEJZUHPBZQG-GXTWGEPZSA-N 1 3 254.443 3.032 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCc1ccsc1 ZINC000663501699 419637764 /nfs/dbraw/zinc/63/77/64/419637764.db2.gz BJEJEJZUHPBZQG-GXTWGEPZSA-N 1 3 254.443 3.032 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1CC1(C)C ZINC000663344342 419570169 /nfs/dbraw/zinc/57/01/69/419570169.db2.gz RVNXCADLOBOZAR-IMJJTQAJSA-N 1 3 264.457 3.133 20 0 CGADHO C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663465580 419617985 /nfs/dbraw/zinc/61/79/85/419617985.db2.gz KQFUKYDNRWPECK-SZMVWBNQSA-N 1 3 276.468 3.277 20 0 CGADHO CCC[C@H](CC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468491 419619485 /nfs/dbraw/zinc/61/94/85/419619485.db2.gz LKRPYWWGXADJSQ-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000658163623 419626303 /nfs/dbraw/zinc/62/63/03/419626303.db2.gz QTRWERUWMPDFER-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000658163623 419626309 /nfs/dbraw/zinc/62/63/09/419626309.db2.gz QTRWERUWMPDFER-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]([NH2+]CCC(C)(C)F)c1cccc(OCCN(C)C)c1 ZINC000658192294 419651061 /nfs/dbraw/zinc/65/10/61/419651061.db2.gz FNOZEQLYEJLGFL-CQSZACIVSA-N 1 3 296.430 3.416 20 0 CGADHO C[C@@H](NCCc1ccoc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658202416 419655456 /nfs/dbraw/zinc/65/54/56/419655456.db2.gz TYYJPEHZOZYYLE-VQIMIIECSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@@H](NCCc1ccoc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202416 419655459 /nfs/dbraw/zinc/65/54/59/419655459.db2.gz TYYJPEHZOZYYLE-VQIMIIECSA-N 1 3 298.430 3.322 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000221732683 262293064 /nfs/dbraw/zinc/29/30/64/262293064.db2.gz MIFKQFFCPYMTRJ-JYJNAYRXSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000221732683 262293065 /nfs/dbraw/zinc/29/30/65/262293065.db2.gz MIFKQFFCPYMTRJ-JYJNAYRXSA-N 1 3 260.425 3.437 20 0 CGADHO COc1ccc(CC[C@@H](C)[NH2+]CCCN(C)C(C)C)cc1 ZINC000221912978 262322931 /nfs/dbraw/zinc/32/29/31/262322931.db2.gz HUJZEOHGPBUSCV-MRXNPFEDSA-N 1 3 292.467 3.336 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2ccc3ccccc3c2)C1 ZINC000044535741 270035901 /nfs/dbraw/zinc/03/59/01/270035901.db2.gz LQFBCZYKSJXPJT-INIZCTEOSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2ccc3ccccc3c2)C1 ZINC000044535741 270035902 /nfs/dbraw/zinc/03/59/02/270035902.db2.gz LQFBCZYKSJXPJT-INIZCTEOSA-N 1 3 268.404 3.271 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044533390 270036405 /nfs/dbraw/zinc/03/64/05/270036405.db2.gz YTMIFKHHTSZTMZ-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000044533390 270036406 /nfs/dbraw/zinc/03/64/06/270036406.db2.gz YTMIFKHHTSZTMZ-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535377 270036846 /nfs/dbraw/zinc/03/68/46/270036846.db2.gz CEODWPWPNURTDA-OLZOCXBDSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535377 270036848 /nfs/dbraw/zinc/03/68/48/270036848.db2.gz CEODWPWPNURTDA-OLZOCXBDSA-N 1 3 266.816 3.332 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CCCc2ccc(Cl)cc2)C1 ZINC000011888893 265309478 /nfs/dbraw/zinc/30/94/78/265309478.db2.gz ASZXNXCYCUTSOH-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCN1CC[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186594157 270066581 /nfs/dbraw/zinc/06/65/81/270066581.db2.gz QNXDQNBYELNWEG-ROKHWSDSSA-N 1 3 292.389 3.287 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186594183 270066600 /nfs/dbraw/zinc/06/66/00/270066600.db2.gz QNXDQNBYELNWEG-MOKVOYLWSA-N 1 3 292.389 3.287 20 0 CGADHO Cc1cccc(C)c1C[NH2+]CCCN1CCCCC1 ZINC000215825326 270085231 /nfs/dbraw/zinc/08/52/31/270085231.db2.gz CIQZXJOKHLKAIH-UHFFFAOYSA-N 1 3 260.425 3.269 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000521627156 270102676 /nfs/dbraw/zinc/10/26/76/270102676.db2.gz ZGZLCWFEDKXBIJ-RYUDHWBXSA-N 1 3 254.805 3.172 20 0 CGADHO C[N@H+]1CC=C(CN[C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527877347 270141480 /nfs/dbraw/zinc/14/14/80/270141480.db2.gz VBJMEYUIWFVAEY-MRXNPFEDSA-N 1 3 294.801 3.318 20 0 CGADHO C[N@@H+]1CC=C(CN[C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527877347 270141481 /nfs/dbraw/zinc/14/14/81/270141481.db2.gz VBJMEYUIWFVAEY-MRXNPFEDSA-N 1 3 294.801 3.318 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1CC12CC2 ZINC000527845288 270139150 /nfs/dbraw/zinc/13/91/50/270139150.db2.gz IHKVNACTGITESS-CJNGLKHVSA-N 1 3 258.409 3.026 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CC12CC2 ZINC000527861818 270140245 /nfs/dbraw/zinc/14/02/45/270140245.db2.gz DCZBTRDSJQBQEL-YOEHRIQHSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527861056 270140317 /nfs/dbraw/zinc/14/03/17/270140317.db2.gz XAQPFXBUQHVTHU-YTQUADARSA-N 1 3 298.474 3.329 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000527929468 270145133 /nfs/dbraw/zinc/14/51/33/270145133.db2.gz SCPCFAVWRNRNKA-QLFBSQMISA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215893 270195826 /nfs/dbraw/zinc/19/58/26/270195826.db2.gz JZRJZILRRXMIFY-LSDHHAIUSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530215893 270195827 /nfs/dbraw/zinc/19/58/27/270195827.db2.gz JZRJZILRRXMIFY-LSDHHAIUSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cc(C)ccc1C ZINC000530224620 270196696 /nfs/dbraw/zinc/19/66/96/270196696.db2.gz RYECYLYIZHCSCA-NVXWUHKLSA-N 1 3 260.425 3.486 20 0 CGADHO Clc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCC1 ZINC000531688881 270208977 /nfs/dbraw/zinc/20/89/77/270208977.db2.gz DPZFEQSFAILKEX-MRXNPFEDSA-N 1 3 278.827 3.403 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC(C)(C)C2)C[C@@H](C)O1 ZINC000531753203 270209145 /nfs/dbraw/zinc/20/91/45/270209145.db2.gz ZEJZGYJNEDNYRO-ZACQAIPSSA-N 1 3 296.499 3.434 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309950 270222924 /nfs/dbraw/zinc/22/29/24/270222924.db2.gz LAYIEXDTEFEXGE-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309950 270222925 /nfs/dbraw/zinc/22/29/25/270222925.db2.gz LAYIEXDTEFEXGE-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO CC[C@@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423192301 280146068 /nfs/dbraw/zinc/14/60/68/280146068.db2.gz ULLPAICRKOFUBK-IJLUTSLNSA-N 1 3 266.351 3.085 20 0 CGADHO CCN(C[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000261650809 276138728 /nfs/dbraw/zinc/13/87/28/276138728.db2.gz RIIPNCPADKUHKS-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414952028 276574386 /nfs/dbraw/zinc/57/43/86/276574386.db2.gz QKPNUEWDSNIOFD-USXIJHARSA-N 1 3 260.425 3.046 20 0 CGADHO C[NH+](C)C1CCC(N[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000335623274 276772774 /nfs/dbraw/zinc/77/27/74/276772774.db2.gz YINCXQDZYGMCOK-PPUFBPAQSA-N 1 3 294.389 3.415 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000502687228 277237422 /nfs/dbraw/zinc/23/74/22/277237422.db2.gz YXLAYYZHTZIKSI-BDXSIMOUSA-N 1 3 296.499 3.149 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000430598297 277275595 /nfs/dbraw/zinc/27/55/95/277275595.db2.gz CGYUOYNTQBSCSZ-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CCC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659879 277275761 /nfs/dbraw/zinc/27/57/61/277275761.db2.gz UHXJJNDINMYIPJ-WDSOQIARSA-N 1 3 286.463 3.428 20 0 CGADHO CNC[C@@H]1CCC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659879 277275762 /nfs/dbraw/zinc/27/57/62/277275762.db2.gz UHXJJNDINMYIPJ-WDSOQIARSA-N 1 3 286.463 3.428 20 0 CGADHO C[NH2+]C[C@@H]1CCCN([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659879 277275763 /nfs/dbraw/zinc/27/57/63/277275763.db2.gz UHXJJNDINMYIPJ-WDSOQIARSA-N 1 3 286.463 3.428 20 0 CGADHO CC(C)C1CCC([NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000414851371 277341531 /nfs/dbraw/zinc/34/15/31/277341531.db2.gz JCAAMAZUGGMYFP-CIDNJEQPSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459449977 277396746 /nfs/dbraw/zinc/39/67/46/277396746.db2.gz NTCSGUUVOXBFSX-OAHLLOKOSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCCC12CCOCC2)N1CCCCC1 ZINC000376739226 277565089 /nfs/dbraw/zinc/56/50/89/277565089.db2.gz IDYKXFSHVRTGLN-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO C1CCC2(C1)CCCC[C@H]2[NH2+][C@H]1CCCNCC1 ZINC000261562170 277758855 /nfs/dbraw/zinc/75/88/55/277758855.db2.gz GIIXMBWPQLWPTE-LSDHHAIUSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)[C@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000414904387 277897519 /nfs/dbraw/zinc/89/75/19/277897519.db2.gz JWLSQQJPIHOSRW-ROUUACIJSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449084401 278003584 /nfs/dbraw/zinc/00/35/84/278003584.db2.gz XPWYZBVRVDPDLC-BBWFWOEESA-N 1 3 294.483 3.046 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCC2(CCOCC2)CC1 ZINC000414929587 278222418 /nfs/dbraw/zinc/22/24/18/278222418.db2.gz OUACEMAHVMTTBC-MRXNPFEDSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1CN ZINC000397427468 288023935 /nfs/dbraw/zinc/02/39/35/288023935.db2.gz YGSNDVLQIDDYQW-RQJABVFESA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@@H]1CN ZINC000397427468 288023939 /nfs/dbraw/zinc/02/39/39/288023939.db2.gz YGSNDVLQIDDYQW-RQJABVFESA-N 1 3 274.399 3.117 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422903313 288062627 /nfs/dbraw/zinc/06/26/27/288062627.db2.gz FKDSUHYGIRLSFX-CABCVRRESA-N 1 3 278.827 3.231 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000423054662 288063121 /nfs/dbraw/zinc/06/31/21/288063121.db2.gz BYXVSYLCJHPHRZ-WDEREUQCSA-N 1 3 274.330 3.229 20 0 CGADHO C[NH+](C)CC1CCN(CCc2cccc(Cl)c2)CC1 ZINC000459302754 288083268 /nfs/dbraw/zinc/08/32/68/288083268.db2.gz NQBTWZOFBWOXHZ-UHFFFAOYSA-N 1 3 280.843 3.156 20 0 CGADHO CC(C)COC[C@@H](NC1CCC(C[NH3+])CC1)c1ccco1 ZINC000422970069 278924168 /nfs/dbraw/zinc/92/41/68/278924168.db2.gz FFFONIYLNHUYFW-UYSNPLJNSA-N 1 3 294.439 3.100 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450472616 279036822 /nfs/dbraw/zinc/03/68/22/279036822.db2.gz MASYWHFPDQUCPB-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450472616 279036823 /nfs/dbraw/zinc/03/68/23/279036823.db2.gz MASYWHFPDQUCPB-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472616 279036824 /nfs/dbraw/zinc/03/68/24/279036824.db2.gz MASYWHFPDQUCPB-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472616 279036825 /nfs/dbraw/zinc/03/68/25/279036825.db2.gz MASYWHFPDQUCPB-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423049307 279067232 /nfs/dbraw/zinc/06/72/32/279067232.db2.gz JLERSPPIBOWSGS-FJIDUMEYSA-N 1 3 288.435 3.315 20 0 CGADHO CC(C)C[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423531307 279111709 /nfs/dbraw/zinc/11/17/09/279111709.db2.gz SIVUXQRRCILAQY-CNSOWSRNSA-N 1 3 264.457 3.164 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000451138745 279121186 /nfs/dbraw/zinc/12/11/86/279121186.db2.gz BXAFZXPHFBPDFT-UHDSXZAQSA-N 1 3 282.472 3.043 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000451138745 279121187 /nfs/dbraw/zinc/12/11/87/279121187.db2.gz BXAFZXPHFBPDFT-UHDSXZAQSA-N 1 3 282.472 3.043 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000174216114 279135365 /nfs/dbraw/zinc/13/53/65/279135365.db2.gz KZCUFRBWAXVXKY-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000174216114 279135368 /nfs/dbraw/zinc/13/53/68/279135368.db2.gz KZCUFRBWAXVXKY-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CCC2CCCC2)C1 ZINC000174216114 279135369 /nfs/dbraw/zinc/13/53/69/279135369.db2.gz KZCUFRBWAXVXKY-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000294889902 279137565 /nfs/dbraw/zinc/13/75/65/279137565.db2.gz YIBRLZJLHQPJCO-RVKKMQEKSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccccc1)C(F)(F)F ZINC000423048786 279401985 /nfs/dbraw/zinc/40/19/85/279401985.db2.gz ABJXXGOMZJAZNM-GMXVVIOVSA-N 1 3 274.330 3.048 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423394364 280268819 /nfs/dbraw/zinc/26/88/19/280268819.db2.gz RITODQJNWUBCOJ-BBWFWOEESA-N 1 3 278.415 3.252 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(F)c(F)c1 ZINC000423398900 280333597 /nfs/dbraw/zinc/33/35/97/280333597.db2.gz PECMMWJCLIALOC-LYRGGWFBSA-N 1 3 282.378 3.250 20 0 CGADHO Cc1ccc2nccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000443433055 281039156 /nfs/dbraw/zinc/03/91/56/281039156.db2.gz UUMCCZLKEDVHTI-LSDHHAIUSA-N 1 3 281.403 3.004 20 0 CGADHO Cc1ccc2nccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000443433055 281039158 /nfs/dbraw/zinc/03/91/58/281039158.db2.gz UUMCCZLKEDVHTI-LSDHHAIUSA-N 1 3 281.403 3.004 20 0 CGADHO Cc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCCN1C)C2 ZINC000361841811 281053660 /nfs/dbraw/zinc/05/36/60/281053660.db2.gz GUAHVUWKTNYMAM-GOSISDBHSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1ccc2c(c1)CC[N@H+](CC[C@H]1CCCCN1C)C2 ZINC000361841811 281053662 /nfs/dbraw/zinc/05/36/62/281053662.db2.gz GUAHVUWKTNYMAM-GOSISDBHSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000302225522 281170384 /nfs/dbraw/zinc/17/03/84/281170384.db2.gz OUFMOEMHHFWJRL-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225522 281170385 /nfs/dbraw/zinc/17/03/85/281170385.db2.gz OUFMOEMHHFWJRL-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CCCC12CCN(C)CC2 ZINC000530389594 288303363 /nfs/dbraw/zinc/30/33/63/288303363.db2.gz QWWQRZMZIZXLHO-CQSZACIVSA-N 1 3 278.465 3.239 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CCCC12CCN(C)CC2 ZINC000530389594 288303365 /nfs/dbraw/zinc/30/33/65/288303365.db2.gz QWWQRZMZIZXLHO-CQSZACIVSA-N 1 3 278.465 3.239 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCC1 ZINC000530213589 288300875 /nfs/dbraw/zinc/30/08/75/288300875.db2.gz APAAEXJLXSWIAC-LSDHHAIUSA-N 1 3 250.430 3.220 20 0 CGADHO CCC[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530213589 288300877 /nfs/dbraw/zinc/30/08/77/288300877.db2.gz APAAEXJLXSWIAC-LSDHHAIUSA-N 1 3 250.430 3.220 20 0 CGADHO CCc1nc2c(s1)[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000331867557 281515465 /nfs/dbraw/zinc/51/54/65/281515465.db2.gz ZTSCBPLOGSXWLK-YNEHKIRRSA-N 1 3 293.480 3.190 20 0 CGADHO COC[C@H](CC(C)C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000548523822 289012152 /nfs/dbraw/zinc/01/21/52/289012152.db2.gz BRIFWTFELSXBQG-SFHVURJKSA-N 1 3 296.499 3.292 20 0 CGADHO COC[C@H](CC(C)C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000548523822 289012154 /nfs/dbraw/zinc/01/21/54/289012154.db2.gz BRIFWTFELSXBQG-SFHVURJKSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000548883731 289027461 /nfs/dbraw/zinc/02/74/61/289027461.db2.gz PXLWTWCVYUSQDR-UHFFFAOYSA-N 1 3 280.378 3.427 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000551309487 289110955 /nfs/dbraw/zinc/11/09/55/289110955.db2.gz UWXHHIHWECVUMS-LAVFITLUSA-N 1 3 290.426 3.377 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000552321192 289181176 /nfs/dbraw/zinc/18/11/76/289181176.db2.gz LSSMUFXVURHJMO-JHNDHUHGSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090441 289257651 /nfs/dbraw/zinc/25/76/51/289257651.db2.gz RJPTXJKNCIJKMK-TUUVXOQKSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090441 289257652 /nfs/dbraw/zinc/25/76/52/289257652.db2.gz RJPTXJKNCIJKMK-TUUVXOQKSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558698655 289513935 /nfs/dbraw/zinc/51/39/35/289513935.db2.gz WAQIFNSIFPTWOF-UUAJXVIYSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422817404 289772885 /nfs/dbraw/zinc/77/28/85/289772885.db2.gz HOGNFPNNNXSQAN-FIQHERPVSA-N 1 3 266.351 3.071 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000423209220 294114921 /nfs/dbraw/zinc/11/49/21/294114921.db2.gz ILIFIRGUKPQYSZ-DYVFJYSZSA-N 1 3 292.854 3.250 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423266700 295250883 /nfs/dbraw/zinc/25/08/83/295250883.db2.gz CAGPAGSUYQNAKD-HRSCSKTISA-N 1 3 294.483 3.364 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000423271444 295268463 /nfs/dbraw/zinc/26/84/63/295268463.db2.gz HLWGXTKTMRQJLQ-SJLPKXTDSA-N 1 3 272.436 3.041 20 0 CGADHO C[C@H](CC(C)(C)O)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449449247 298324129 /nfs/dbraw/zinc/32/41/29/298324129.db2.gz KZKBNUNARMBWQA-UXLLHSPISA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](CC(C)(C)O)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449449247 298324132 /nfs/dbraw/zinc/32/41/32/298324132.db2.gz KZKBNUNARMBWQA-UXLLHSPISA-N 1 3 296.499 3.169 20 0 CGADHO Cc1ccccc1[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261697511 302218114 /nfs/dbraw/zinc/21/81/14/302218114.db2.gz CDCJSDRFKKHJKS-SJORKVTESA-N 1 3 258.409 3.132 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423108994 303111877 /nfs/dbraw/zinc/11/18/77/303111877.db2.gz MZIFMCHQPQZBEZ-YNEHKIRRSA-N 1 3 290.373 3.229 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OC3CCCC3)cc2)C1 ZINC000563820293 322011284 /nfs/dbraw/zinc/01/12/84/322011284.db2.gz DQGHGXPEMUKYAY-HZPDHXFCSA-N 1 3 288.435 3.368 20 0 CGADHO Cc1cc(CNCc2ccc(C[NH3+])cc2)ccc1Cl ZINC000565539414 322081537 /nfs/dbraw/zinc/08/15/37/322081537.db2.gz NSQTVIQYMMLGQV-UHFFFAOYSA-N 1 3 274.795 3.397 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000565608667 322083995 /nfs/dbraw/zinc/08/39/95/322083995.db2.gz IPFZHLVKPCYWTP-KBPBESRZSA-N 1 3 274.433 3.303 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2csc3ccccc23)C1 ZINC000565608667 322083996 /nfs/dbraw/zinc/08/39/96/322083996.db2.gz IPFZHLVKPCYWTP-KBPBESRZSA-N 1 3 274.433 3.303 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000566331525 322116544 /nfs/dbraw/zinc/11/65/44/322116544.db2.gz UWXHHIHWECVUMS-DDBAPUKQSA-N 1 3 290.426 3.377 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566572670 322130368 /nfs/dbraw/zinc/13/03/68/322130368.db2.gz VPVQAHKIVUNLRK-VLXAULBPSA-N 1 3 296.842 3.276 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)C1 ZINC000566706553 322135355 /nfs/dbraw/zinc/13/53/55/322135355.db2.gz YLPLLQYVXCJYDK-SOLBZPMBSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)C1 ZINC000566706553 322135356 /nfs/dbraw/zinc/13/53/56/322135356.db2.gz YLPLLQYVXCJYDK-SOLBZPMBSA-N 1 3 278.484 3.476 20 0 CGADHO COc1ccsc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000567236199 322155333 /nfs/dbraw/zinc/15/53/33/322155333.db2.gz WTDZYQBRRAHOQN-NSHDSACASA-N 1 3 276.405 3.066 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000567375397 322161147 /nfs/dbraw/zinc/16/11/47/322161147.db2.gz BUUDDGMJEGYKKE-CVEARBPZSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)[C@H](CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871477 322181102 /nfs/dbraw/zinc/18/11/02/322181102.db2.gz DCHCBOKRIKPUKU-ZWKOTPCHSA-N 1 3 272.436 3.112 20 0 CGADHO CC(C)COc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000567871010 322181220 /nfs/dbraw/zinc/18/12/20/322181220.db2.gz HNSRTJBHABDZPH-UHFFFAOYSA-N 1 3 298.430 3.470 20 0 CGADHO CC[C@H](F)C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000569514288 322249307 /nfs/dbraw/zinc/24/93/07/322249307.db2.gz ZEFCOZUGKDJFKI-SQNIBIBYSA-N 1 3 290.426 3.188 20 0 CGADHO CC[C@H](F)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000569514288 322249309 /nfs/dbraw/zinc/24/93/09/322249309.db2.gz ZEFCOZUGKDJFKI-SQNIBIBYSA-N 1 3 290.426 3.188 20 0 CGADHO [NH3+]CC12CCC(CC1)CN2[C@H]1CCCc2ccccc21 ZINC000569744745 322255854 /nfs/dbraw/zinc/25/58/54/322255854.db2.gz PEGLNLGIBDZYGQ-GMXGEUMGSA-N 1 3 270.420 3.267 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000569872944 322259378 /nfs/dbraw/zinc/25/93/78/322259378.db2.gz IGFMFVUEFVEKQY-MAUKXSAKSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000569872944 322259380 /nfs/dbraw/zinc/25/93/80/322259380.db2.gz IGFMFVUEFVEKQY-MAUKXSAKSA-N 1 3 294.483 3.331 20 0 CGADHO CCC1CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000570650581 322278985 /nfs/dbraw/zinc/27/89/85/322278985.db2.gz TVRIOWWHVSIURR-UHFFFAOYSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccnc([C@H]2CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000573384221 322385475 /nfs/dbraw/zinc/38/54/75/322385475.db2.gz SLWFWMSOGOTWPM-KRWDZBQOSA-N 1 3 287.451 3.055 20 0 CGADHO Cc1ccnc([C@H]2CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000573384221 322385477 /nfs/dbraw/zinc/38/54/77/322385477.db2.gz SLWFWMSOGOTWPM-KRWDZBQOSA-N 1 3 287.451 3.055 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2cccs2)C2CC2)C1 ZINC000573623736 322398010 /nfs/dbraw/zinc/39/80/10/322398010.db2.gz DZJBDAPVCWXGHA-BZPMIXESSA-N 1 3 250.411 3.059 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)[C@@H]1CCCNC1 ZINC000582713224 329129439 /nfs/dbraw/zinc/12/94/39/329129439.db2.gz DRUSTADKMZQLCD-RRFJBIMHSA-N 1 3 252.446 3.181 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000582846403 329276418 /nfs/dbraw/zinc/27/64/18/329276418.db2.gz KNDMGQFJGWWENU-GOSISDBHSA-N 1 3 281.403 3.171 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000576156159 335161691 /nfs/dbraw/zinc/16/16/91/335161691.db2.gz AUFLOZSPVYEAHZ-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO CC[N@@H+]1CCC[C@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000576156159 335161692 /nfs/dbraw/zinc/16/16/92/335161692.db2.gz AUFLOZSPVYEAHZ-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO CC[N@H+]1CCC[C@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000576156159 335161693 /nfs/dbraw/zinc/16/16/93/335161693.db2.gz AUFLOZSPVYEAHZ-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527337 335215554 /nfs/dbraw/zinc/21/55/54/335215554.db2.gz XSTYDOCCDGJWKS-NRSFXHEJSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527337 335215555 /nfs/dbraw/zinc/21/55/55/335215555.db2.gz XSTYDOCCDGJWKS-NRSFXHEJSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527337 335215556 /nfs/dbraw/zinc/21/55/56/335215556.db2.gz XSTYDOCCDGJWKS-NRSFXHEJSA-N 1 3 272.436 3.308 20 0 CGADHO Cc1ccccc1[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000577626486 335381523 /nfs/dbraw/zinc/38/15/23/335381523.db2.gz HLEPVJKYCWZPJL-YQQAZPJKSA-N 1 3 258.409 3.306 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cccc3ccccc32)C1 ZINC000577768491 335399757 /nfs/dbraw/zinc/39/97/57/335399757.db2.gz FBNKIQITFFVSSB-SJORKVTESA-N 1 3 268.404 3.242 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2ccoc2)CC1 ZINC000178732256 335447703 /nfs/dbraw/zinc/44/77/03/335447703.db2.gz HHUYZUZSFNDIPS-CYBMUJFWSA-N 1 3 250.386 3.052 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000581191144 336022142 /nfs/dbraw/zinc/02/21/42/336022142.db2.gz MLRPKSBGDUOAMV-SJLPKXTDSA-N 1 3 292.442 3.324 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000581191144 336022143 /nfs/dbraw/zinc/02/21/43/336022143.db2.gz MLRPKSBGDUOAMV-SJLPKXTDSA-N 1 3 292.442 3.324 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000581456591 336080152 /nfs/dbraw/zinc/08/01/52/336080152.db2.gz LRCDEUPJIPUCTA-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000581456591 336080153 /nfs/dbraw/zinc/08/01/53/336080153.db2.gz LRCDEUPJIPUCTA-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000581456591 336080154 /nfs/dbraw/zinc/08/01/54/336080154.db2.gz LRCDEUPJIPUCTA-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000581456591 336080155 /nfs/dbraw/zinc/08/01/55/336080155.db2.gz LRCDEUPJIPUCTA-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581997088 336187444 /nfs/dbraw/zinc/18/74/44/336187444.db2.gz SWOZQUJJOJLUJO-IAGOWNOFSA-N 1 3 278.415 3.440 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581997088 336187445 /nfs/dbraw/zinc/18/74/45/336187445.db2.gz SWOZQUJJOJLUJO-IAGOWNOFSA-N 1 3 278.415 3.440 20 0 CGADHO CCC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643635 521160606 /nfs/dbraw/zinc/16/06/06/521160606.db2.gz GJQKEWHUCSWPOC-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CCCOC1 ZINC000356898406 533809235 /nfs/dbraw/zinc/80/92/35/533809235.db2.gz MYMJGYBYJCDTEZ-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423260461 533865532 /nfs/dbraw/zinc/86/55/32/533865532.db2.gz QCVIQJYSMYBHCM-NWDGAFQWSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000358323696 533899554 /nfs/dbraw/zinc/89/95/54/533899554.db2.gz ASMUUCQCHMFIRZ-MAUKXSAKSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000358323696 533899559 /nfs/dbraw/zinc/89/95/59/533899559.db2.gz ASMUUCQCHMFIRZ-MAUKXSAKSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H](C)CN(C)C ZINC000425929810 533982229 /nfs/dbraw/zinc/98/22/29/533982229.db2.gz GWVQWGLYGFJTST-QWHCGFSZSA-N 1 3 284.394 3.073 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc2ccccc2c1 ZINC000423393478 534006033 /nfs/dbraw/zinc/00/60/33/534006033.db2.gz MHCVRIPTONCZAD-GLJUWKHASA-N 1 3 268.404 3.488 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc2ccccc2c1 ZINC000423393477 534006423 /nfs/dbraw/zinc/00/64/23/534006423.db2.gz MHCVRIPTONCZAD-DEYYWGMASA-N 1 3 268.404 3.488 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000437052597 534011593 /nfs/dbraw/zinc/01/15/93/534011593.db2.gz WFODLAULLKRAGR-VYDXJSESSA-N 1 3 290.451 3.466 20 0 CGADHO Cc1ccc(C[C@@H](NCC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423377351 534130310 /nfs/dbraw/zinc/13/03/10/534130310.db2.gz YQJSHLJRRJARDA-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCNC1CC1)CCC2 ZINC000423521233 534451031 /nfs/dbraw/zinc/45/10/31/534451031.db2.gz GDZMTOSDUMAEIF-QGZVFWFLSA-N 1 3 258.409 3.104 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCCc2ccccc2C)C1 ZINC000084678478 520249731 /nfs/dbraw/zinc/24/97/31/520249731.db2.gz MNQOTUFFJVQVAM-KRWDZBQOSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCc2ccccc2C)C1 ZINC000084678478 520249740 /nfs/dbraw/zinc/24/97/40/520249740.db2.gz MNQOTUFFJVQVAM-KRWDZBQOSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000084678478 520249747 /nfs/dbraw/zinc/24/97/47/520249747.db2.gz MNQOTUFFJVQVAM-KRWDZBQOSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000084678478 520249755 /nfs/dbraw/zinc/24/97/55/520249755.db2.gz MNQOTUFFJVQVAM-KRWDZBQOSA-N 1 3 274.452 3.201 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1 ZINC000037643635 521160587 /nfs/dbraw/zinc/16/05/87/521160587.db2.gz GJQKEWHUCSWPOC-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CCC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037643635 521160595 /nfs/dbraw/zinc/16/05/95/521160595.db2.gz GJQKEWHUCSWPOC-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CCN(Cc1ccccc1Cl)CC1CC[NH2+]CC1 ZINC000094011446 521383207 /nfs/dbraw/zinc/38/32/07/521383207.db2.gz HJZBNIRVTUWSIX-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000049553319 522732524 /nfs/dbraw/zinc/73/25/24/522732524.db2.gz UVSURQGWMNOLKM-CJNGLKHVSA-N 1 3 264.413 3.076 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]C[C@]2(C)CCCNC2)C2CC2)c1 ZINC000423327120 534727885 /nfs/dbraw/zinc/72/78/85/534727885.db2.gz LEYGBIIDLFTGIR-RBUKOAKNSA-N 1 3 286.463 3.295 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643695 524025060 /nfs/dbraw/zinc/02/50/60/524025060.db2.gz ZDWVWMCGGBVJDX-GDBMZVCRSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000037643695 524025063 /nfs/dbraw/zinc/02/50/63/524025063.db2.gz ZDWVWMCGGBVJDX-GDBMZVCRSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000037643695 524025064 /nfs/dbraw/zinc/02/50/64/524025064.db2.gz ZDWVWMCGGBVJDX-GDBMZVCRSA-N 1 3 260.425 3.241 20 0 CGADHO Cc1cccc(OCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000157426946 524748562 /nfs/dbraw/zinc/74/85/62/524748562.db2.gz RPHZRCGWZVPREX-ZWKOTPCHSA-N 1 3 282.387 3.108 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@H]21)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528254 527482856 /nfs/dbraw/zinc/48/28/56/527482856.db2.gz YRQNEQHJTKINNI-YYIAUSFCSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@H]21)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528254 527482864 /nfs/dbraw/zinc/48/28/64/527482864.db2.gz YRQNEQHJTKINNI-YYIAUSFCSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2CCC[C@H]21)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528254 527482871 /nfs/dbraw/zinc/48/28/71/527482871.db2.gz YRQNEQHJTKINNI-YYIAUSFCSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528254 527482875 /nfs/dbraw/zinc/48/28/75/527482875.db2.gz YRQNEQHJTKINNI-YYIAUSFCSA-N 1 3 262.441 3.125 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000423407612 527829531 /nfs/dbraw/zinc/82/95/31/527829531.db2.gz WDNGJXPIBHOGHI-LVQVYYBASA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)O[C@@H](C[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000428253466 528055739 /nfs/dbraw/zinc/05/57/39/528055739.db2.gz QSCSJORBQUAIAQ-WMZOPIPTSA-N 1 3 290.451 3.036 20 0 CGADHO CC(C)O[C@@H](C[N@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000428253466 528055744 /nfs/dbraw/zinc/05/57/44/528055744.db2.gz QSCSJORBQUAIAQ-WMZOPIPTSA-N 1 3 290.451 3.036 20 0 CGADHO CC(C)c1cccc2c1OCCC[C@@H]2NC[C@H](C)C[NH3+] ZINC000423301462 528188541 /nfs/dbraw/zinc/18/85/41/528188541.db2.gz TVEBYNBJGGJTAW-CJNGLKHVSA-N 1 3 276.424 3.208 20 0 CGADHO CCC[NH+]1CCC(N(C)CCc2cccc(C)c2)CC1 ZINC000449018797 528193588 /nfs/dbraw/zinc/19/35/88/528193588.db2.gz UHHHYUFNAUWHRK-UHFFFAOYSA-N 1 3 274.452 3.344 20 0 CGADHO CC(C)c1nc([C@H](C)NCC[C@@H]2CCC[NH2+]C2)cs1 ZINC000423261923 528313593 /nfs/dbraw/zinc/31/35/93/528313593.db2.gz TYSYJVZZLUJLNA-STQMWFEESA-N 1 3 281.469 3.307 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)NCC(C)(C)[NH3+] ZINC000423288625 528487515 /nfs/dbraw/zinc/48/75/15/528487515.db2.gz TZSMOQDXYYPUKM-CQSZACIVSA-N 1 3 266.454 3.130 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000423271801 528536473 /nfs/dbraw/zinc/53/64/73/528536473.db2.gz JJPOPRIYDKIRDQ-JKSUJKDBSA-N 1 3 280.843 3.234 20 0 CGADHO CC(C)n1cncc1CNCCCC[NH+]1CCC(C)CC1 ZINC000424136040 528625382 /nfs/dbraw/zinc/62/53/82/528625382.db2.gz QCSOBWWCCLBACC-UHFFFAOYSA-N 1 3 292.471 3.066 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423287414 528954356 /nfs/dbraw/zinc/95/43/56/528954356.db2.gz MDOYZRAFOZTMGU-HNNXBMFYSA-N 1 3 264.388 3.310 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423285259 529070034 /nfs/dbraw/zinc/07/00/34/529070034.db2.gz YYPPGZAETLWSCF-LALPHHSUSA-N 1 3 268.832 3.405 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105462 529086497 /nfs/dbraw/zinc/08/64/97/529086497.db2.gz IAJVRBXNCGKCSQ-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO CC[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCC1 ZINC000449089868 529185748 /nfs/dbraw/zinc/18/57/48/529185748.db2.gz LKNRAJGPNWRTHM-GOSISDBHSA-N 1 3 290.451 3.295 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423314416 529246577 /nfs/dbraw/zinc/24/65/77/529246577.db2.gz HCMZGORPXSZWRX-IAQYHMDHSA-N 1 3 264.438 3.187 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423449562 529248113 /nfs/dbraw/zinc/24/81/13/529248113.db2.gz RUWORVHDVQKAED-UTUOFQBUSA-N 1 3 252.427 3.185 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512050561 535525678 /nfs/dbraw/zinc/52/56/78/535525678.db2.gz CVYZHASGUJENSQ-UJAVWCLSSA-N 1 3 294.389 3.300 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](COC)C(C)C ZINC000484289525 535580888 /nfs/dbraw/zinc/58/08/88/535580888.db2.gz GECCHNACEGZJQC-BBWFWOEESA-N 1 3 284.488 3.148 20 0 CGADHO CC[C@@H](CN1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020529 535744879 /nfs/dbraw/zinc/74/48/79/535744879.db2.gz JDTNUZQAVKUYPG-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO C[NH2+]CCC1CCN(CCOc2cc(C)cc(C)c2)CC1 ZINC000070189893 571983962 /nfs/dbraw/zinc/98/39/62/571983962.db2.gz UEQWOXOWMLTUDK-UHFFFAOYSA-N 1 3 290.451 3.004 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000226511697 572468436 /nfs/dbraw/zinc/46/84/36/572468436.db2.gz FQRZUWSWOYWOQZ-DFBGVHRSSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226511697 572468440 /nfs/dbraw/zinc/46/84/40/572468440.db2.gz FQRZUWSWOYWOQZ-DFBGVHRSSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H]1CCCCN1C[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794435 572603290 /nfs/dbraw/zinc/60/32/90/572603290.db2.gz DFSPFBPIDLAWTP-HOTGVXAUSA-N 1 3 282.548 3.450 20 0 CGADHO C[C@H]1CCCCN1C[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794435 572603294 /nfs/dbraw/zinc/60/32/94/572603294.db2.gz DFSPFBPIDLAWTP-HOTGVXAUSA-N 1 3 282.548 3.450 20 0 CGADHO CC(C)SCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261550286 618082339 /nfs/dbraw/zinc/08/23/39/618082339.db2.gz LEBKQDMYVDALMH-UONOGXRCSA-N 1 3 258.475 3.028 20 0 CGADHO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000892583225 618867833 /nfs/dbraw/zinc/86/78/33/618867833.db2.gz AQGKUBTYBBXPTP-AWEZNQCLSA-N 1 3 294.414 3.133 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000892583225 618867834 /nfs/dbraw/zinc/86/78/34/618867834.db2.gz AQGKUBTYBBXPTP-AWEZNQCLSA-N 1 3 294.414 3.133 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2csc3ccccc23)C12CCC2 ZINC000925599578 619080479 /nfs/dbraw/zinc/08/04/79/619080479.db2.gz BXOWSXBYZOIHNZ-HOTGVXAUSA-N 1 3 286.444 3.303 20 0 CGADHO Cc1cc(C)c(CN[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925688468 619136594 /nfs/dbraw/zinc/13/65/94/619136594.db2.gz CUDCUJSKPQRESJ-GOSISDBHSA-N 1 3 283.419 3.268 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094366204 619249350 /nfs/dbraw/zinc/24/93/50/619249350.db2.gz FVIIXBXAKMHFHR-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C\c1cccc(F)c1)C2 ZINC000894747912 619618961 /nfs/dbraw/zinc/61/89/61/619618961.db2.gz FZHUTUJSXLPACY-VQYIBSCJSA-N 1 3 288.410 3.396 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C\c1cccc(F)c1)C2 ZINC000894747912 619618963 /nfs/dbraw/zinc/61/89/63/619618963.db2.gz FZHUTUJSXLPACY-VQYIBSCJSA-N 1 3 288.410 3.396 20 0 CGADHO C[C@@H](CC[NH2+]C1CCC(OC2CCCC2)CC1)N(C)C ZINC000895291941 619796806 /nfs/dbraw/zinc/79/68/06/619796806.db2.gz KTMKQLUYKZMVSO-UQPPLGOBSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](CC[NH2+]Cc1cccc(-c2ccccn2)c1)N(C)C ZINC000895297190 619799537 /nfs/dbraw/zinc/79/95/37/619799537.db2.gz JEPFWYPRHZUCGE-OAHLLOKOSA-N 1 3 283.419 3.178 20 0 CGADHO CSC(C)(C)CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000895671435 619869444 /nfs/dbraw/zinc/86/94/44/619869444.db2.gz OXPAXPPSINAHAC-UHFFFAOYSA-N 1 3 270.486 3.078 20 0 CGADHO C[C@H](NCCCCCCC[NH+]1CCCC1)c1ccn(C)n1 ZINC000840720502 620191720 /nfs/dbraw/zinc/19/17/20/620191720.db2.gz PDKYWAWNQYRZNZ-INIZCTEOSA-N 1 3 292.471 3.117 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CCC(C)(C)CO2)CC1 ZINC000897476252 620344679 /nfs/dbraw/zinc/34/46/79/620344679.db2.gz NXSNOARNRVFPLR-INIZCTEOSA-N 1 3 296.499 3.434 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cc2ccncc2s1 ZINC000898306429 620509278 /nfs/dbraw/zinc/50/92/78/620509278.db2.gz JECXEZMXZZXNPA-UHFFFAOYSA-N 1 3 291.464 3.316 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cc2ccncc2s1 ZINC000898306429 620509279 /nfs/dbraw/zinc/50/92/79/620509279.db2.gz JECXEZMXZZXNPA-UHFFFAOYSA-N 1 3 291.464 3.316 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cccc2cccnc21 ZINC000898309445 620510419 /nfs/dbraw/zinc/51/04/19/620510419.db2.gz MLYUEGDCIIJESS-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cccc2cccnc21 ZINC000898309445 620510423 /nfs/dbraw/zinc/51/04/23/620510423.db2.gz MLYUEGDCIIJESS-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CC[C@@H](NCC1([NH3+])CC1)c1cccc2ccccc21 ZINC000902403733 621307481 /nfs/dbraw/zinc/30/74/81/621307481.db2.gz ARAPDJWAFXMAGM-MRXNPFEDSA-N 1 3 254.377 3.372 20 0 CGADHO C1CCC([C@H]2CNCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902442250 621321124 /nfs/dbraw/zinc/32/11/24/621321124.db2.gz AORRKLVFLGTEDX-SLUKUZTOSA-N 1 3 294.508 3.171 20 0 CGADHO CC1(C)C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CCS1 ZINC000902451076 621330309 /nfs/dbraw/zinc/33/03/09/621330309.db2.gz FJVMQDFENYJAIN-DFBGVHRSSA-N 1 3 276.449 3.395 20 0 CGADHO C[C@H](NCCC1CCC(F)(F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000902456407 621334479 /nfs/dbraw/zinc/33/44/79/621334479.db2.gz OQGONDPNASKHJA-JSGCOSHPSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902469375 621340228 /nfs/dbraw/zinc/34/02/28/621340228.db2.gz PUEJXSWZKAASND-AISHXMHISA-N 1 3 278.827 3.315 20 0 CGADHO FCCC[C@@H]1CCC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902483286 621352880 /nfs/dbraw/zinc/35/28/80/621352880.db2.gz QMWUIPWPOIQIGF-SOUVJXGZSA-N 1 3 256.409 3.027 20 0 CGADHO C(NC1CCC(OC2CCCC2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000902484246 621353784 /nfs/dbraw/zinc/35/37/84/621353784.db2.gz VBZATYXKPDHCRY-PQUAAJSLSA-N 1 3 294.483 3.379 20 0 CGADHO C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@H]1CCCN(CC2CC2)C1 ZINC000903060083 621549028 /nfs/dbraw/zinc/54/90/28/621549028.db2.gz ZVCDYTARHBEBJM-BRWVUGGUSA-N 1 3 276.468 3.277 20 0 CGADHO CC(C)[NH+]1CCC(N[C@@H](C)COCC2CCCCC2)CC1 ZINC000903353385 621712028 /nfs/dbraw/zinc/71/20/28/621712028.db2.gz CMADGMGKFVQYAR-INIZCTEOSA-N 1 3 296.499 3.434 20 0 CGADHO CN(Cc1ccc(F)cc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435881 621745270 /nfs/dbraw/zinc/74/52/70/621745270.db2.gz ZGUHJUNAMXNYKC-MFKMUULPSA-N 1 3 270.779 3.038 20 0 CGADHO C[C@@H](NC/C=C/Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000903443364 621754554 /nfs/dbraw/zinc/75/45/54/621754554.db2.gz GSANMGVKJHRBGC-QGQQYVBWSA-N 1 3 282.815 3.030 20 0 CGADHO C[C@H](NC/C=C\Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000903443379 621754931 /nfs/dbraw/zinc/75/49/31/621754931.db2.gz GXDQCIYKFBDQOK-UJZCVKTISA-N 1 3 282.815 3.030 20 0 CGADHO Cc1cc(C)cc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000903874556 621824838 /nfs/dbraw/zinc/82/48/38/621824838.db2.gz DBVXQJUXRWQVCS-INIZCTEOSA-N 1 3 272.436 3.092 20 0 CGADHO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](N)CC(F)F ZINC000903883457 621826040 /nfs/dbraw/zinc/82/60/40/621826040.db2.gz HSHWGGIQSWMLEM-CYBMUJFWSA-N 1 3 274.330 3.019 20 0 CGADHO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H](N)CC(F)F ZINC000903883457 621826042 /nfs/dbraw/zinc/82/60/42/621826042.db2.gz HSHWGGIQSWMLEM-CYBMUJFWSA-N 1 3 274.330 3.019 20 0 CGADHO c1cc2cc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000903959565 621836946 /nfs/dbraw/zinc/83/69/46/621836946.db2.gz JVWOWFFYKJHELI-IBGZPJMESA-N 1 3 295.430 3.200 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000904340186 621909671 /nfs/dbraw/zinc/90/96/71/621909671.db2.gz GABKXAVAKBXZEY-OAHLLOKOSA-N 1 3 282.472 3.033 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000904340186 621909673 /nfs/dbraw/zinc/90/96/73/621909673.db2.gz GABKXAVAKBXZEY-OAHLLOKOSA-N 1 3 282.472 3.033 20 0 CGADHO COCc1ccccc1C[NH2+]C[C@@H](N)CCC(C)(C)C ZINC000904360861 621911909 /nfs/dbraw/zinc/91/19/09/621911909.db2.gz QNOUDAJEUBINTA-INIZCTEOSA-N 1 3 278.440 3.076 20 0 CGADHO CC(C)c1ncc(CN2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000904445557 621924090 /nfs/dbraw/zinc/92/40/90/621924090.db2.gz ZGVLHQJKSALOHV-UHFFFAOYSA-N 1 3 295.496 3.463 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCNC1)c1csc2ccccc12 ZINC000904484912 621926629 /nfs/dbraw/zinc/92/66/29/621926629.db2.gz QKAGSRKOXTYTCD-NEPJUHHUSA-N 1 3 260.406 3.304 20 0 CGADHO C[NH+]1CCC(C)(CNCc2nc(C(C)(C)C)cs2)CC1 ZINC000226348679 622963718 /nfs/dbraw/zinc/96/37/18/622963718.db2.gz CVKBCLFUXBILMG-UHFFFAOYSA-N 1 3 295.496 3.262 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000922269330 625992006 /nfs/dbraw/zinc/99/20/06/625992006.db2.gz MPMKFHYQWGWOHF-GVDBMIGSSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923502710 626158841 /nfs/dbraw/zinc/15/88/41/626158841.db2.gz DPAKMUJYSCFYSC-NWDGAFQWSA-N 1 3 286.341 3.122 20 0 CGADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502315 626158910 /nfs/dbraw/zinc/15/89/10/626158910.db2.gz WIVYFMPJUPAWAJ-IJEWVQPXSA-N 1 3 299.418 3.319 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000754785659 626587100 /nfs/dbraw/zinc/58/71/00/626587100.db2.gz MZMSPPJEWUNJPE-KBRIMQKVSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000754785659 626587103 /nfs/dbraw/zinc/58/71/03/626587103.db2.gz MZMSPPJEWUNJPE-KBRIMQKVSA-N 1 3 276.399 3.146 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000773070550 627849831 /nfs/dbraw/zinc/84/98/31/627849831.db2.gz XRVZLHKIYKBNKG-DOTOQJQBSA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@@H](C)C1 ZINC000773070550 627849833 /nfs/dbraw/zinc/84/98/33/627849833.db2.gz XRVZLHKIYKBNKG-DOTOQJQBSA-N 1 3 260.425 3.123 20 0 CGADHO C[NH+]1CCC(CN[C@H](c2ccccc2)c2cccnc2)CC1 ZINC000779401302 628411091 /nfs/dbraw/zinc/41/10/91/628411091.db2.gz SVBWHMBVFYULAD-LJQANCHMSA-N 1 3 295.430 3.102 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)CN(C)C ZINC000813785516 631461052 /nfs/dbraw/zinc/46/10/52/631461052.db2.gz CWUJZLBZIXWPMX-AWEZNQCLSA-N 1 3 290.451 3.078 20 0 CGADHO CCc1nocc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000815128701 631725018 /nfs/dbraw/zinc/72/50/18/631725018.db2.gz KOEYGCHUKPBJKF-UHFFFAOYSA-N 1 3 291.439 3.124 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1N(C)C ZINC000817949541 632245365 /nfs/dbraw/zinc/24/53/65/632245365.db2.gz QYZOCXBKCORKQX-HNNXBMFYSA-N 1 3 297.446 3.105 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865829597 632904229 /nfs/dbraw/zinc/90/42/29/632904229.db2.gz CWHZHMSTOWYKLX-AAVRWANBSA-N 1 3 288.357 3.100 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865829597 632904232 /nfs/dbraw/zinc/90/42/32/632904232.db2.gz CWHZHMSTOWYKLX-AAVRWANBSA-N 1 3 288.357 3.100 20 0 CGADHO C[C@@H](CCc1cccnc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000866218025 633032415 /nfs/dbraw/zinc/03/24/15/633032415.db2.gz KLKMPIYDEBKDGS-DLBZAZTESA-N 1 3 289.467 3.257 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866259350 633047859 /nfs/dbraw/zinc/04/78/59/633047859.db2.gz APESSIQYLJRXQD-FUHWJXTLSA-N 1 3 289.467 3.113 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866261864 633050068 /nfs/dbraw/zinc/05/00/68/633050068.db2.gz XYFVYUJLQBZBTJ-KBAYOESNSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](CCc1cccnc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000866338887 633087656 /nfs/dbraw/zinc/08/76/56/633087656.db2.gz ZNAFEQUAFYPDLA-IAGOWNOFSA-N 1 3 289.467 3.257 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1cncc2ccccc21)CN(C)C ZINC000866365985 633103315 /nfs/dbraw/zinc/10/33/15/633103315.db2.gz WJERGLYDROVZKR-CVEARBPZSA-N 1 3 299.462 3.343 20 0 CGADHO Cc1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)nc1Cl ZINC000866667250 633229665 /nfs/dbraw/zinc/22/96/65/633229665.db2.gz GUALGPQHVPKZFG-ZDUSSCGKSA-N 1 3 293.842 3.007 20 0 CGADHO C[C@]1(C[NH2+]C2CCN(CC3CC3)CC2)CC1(Cl)Cl ZINC000824773615 633286930 /nfs/dbraw/zinc/28/69/30/633286930.db2.gz MMEJMJLOFNQMHN-CYBMUJFWSA-N 1 3 291.266 3.034 20 0 CGADHO C[C@]1(CNC2CC[NH+](CC3CC3)CC2)CC1(Cl)Cl ZINC000824773615 633286931 /nfs/dbraw/zinc/28/69/31/633286931.db2.gz MMEJMJLOFNQMHN-CYBMUJFWSA-N 1 3 291.266 3.034 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872023347 633943209 /nfs/dbraw/zinc/94/32/09/633943209.db2.gz GCKYULMXHMYBJA-STQMWFEESA-N 1 3 280.378 3.429 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2cc(O)ccc2F)CC1 ZINC000872034420 633952548 /nfs/dbraw/zinc/95/25/48/633952548.db2.gz NWUPYBNLKIIDKH-CYBMUJFWSA-N 1 3 294.414 3.304 20 0 CGADHO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872034290 633952919 /nfs/dbraw/zinc/95/29/19/633952919.db2.gz NLBYPZHQPQVREQ-ZDUSSCGKSA-N 1 3 294.414 3.304 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872033896 633953180 /nfs/dbraw/zinc/95/31/80/633953180.db2.gz JZYNFXGCKHRXFX-DLBZAZTESA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CCCOC1 ZINC000872041589 633964566 /nfs/dbraw/zinc/96/45/66/633964566.db2.gz UUZSMLLLEWMPEA-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)[C@@H]1CCCOC1 ZINC000872062291 633984000 /nfs/dbraw/zinc/98/40/00/633984000.db2.gz LQMRLVJMZCCEOG-ZACQAIPSSA-N 1 3 282.472 3.046 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cc(Cl)nc(Cl)c1 ZINC000872155589 634065623 /nfs/dbraw/zinc/06/56/23/634065623.db2.gz RTOUFYFWPOTHKM-UHFFFAOYSA-N 1 3 290.238 3.339 20 0 CGADHO [NH3+][C@H](C[C@H]1CCCN(C/C=C\Cl)C1)C1CCCC1 ZINC000872156450 634067249 /nfs/dbraw/zinc/06/72/49/634067249.db2.gz JXUKUDJOGHGFCF-BPELZBTASA-N 1 3 270.848 3.359 20 0 CGADHO Cc1nocc1CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158302 634068743 /nfs/dbraw/zinc/06/87/43/634068743.db2.gz UUKRWRVIVCRFPB-YOEHRIQHSA-N 1 3 291.439 3.103 20 0 CGADHO CC(C)[C@@H](C)[N@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873200884 634283364 /nfs/dbraw/zinc/28/33/64/634283364.db2.gz MAXICYQWCDODAL-GFCCVEGCSA-N 1 3 278.465 3.403 20 0 CGADHO CC(C)[C@@H](C)[N@@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873200884 634283369 /nfs/dbraw/zinc/28/33/69/634283369.db2.gz MAXICYQWCDODAL-GFCCVEGCSA-N 1 3 278.465 3.403 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(Cl)c2)CCC1 ZINC000873248418 634300129 /nfs/dbraw/zinc/30/01/29/634300129.db2.gz FNFMCHMUSIHHLM-CABCVRRESA-N 1 3 278.827 3.231 20 0 CGADHO CCC(CC)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000873248081 634300694 /nfs/dbraw/zinc/30/06/94/634300694.db2.gz ZGMFLJCEROQBNZ-FOSCPWQOSA-N 1 3 278.362 3.228 20 0 CGADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000873251185 634301298 /nfs/dbraw/zinc/30/12/98/634301298.db2.gz UXNNVCWPVWCNOD-BZPMIXESSA-N 1 3 287.432 3.198 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC[C@H]1C=CCC1 ZINC000873280861 634316437 /nfs/dbraw/zinc/31/64/37/634316437.db2.gz CWWQGXVNRWQAKY-HIFRSBDPSA-N 1 3 273.424 3.246 20 0 CGADHO C(C[NH2+]C1CCN(CC2CCCCC2)CC1)C[C@H]1CCO1 ZINC000876993307 634945584 /nfs/dbraw/zinc/94/55/84/634945584.db2.gz BUGZMEIGPFKDGP-SFHVURJKSA-N 1 3 294.483 3.190 20 0 CGADHO ClC1(Cl)C[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000877084082 634979239 /nfs/dbraw/zinc/97/92/39/634979239.db2.gz PNDLKBYEGGIVBK-LLVKDONJSA-N 1 3 291.266 3.177 20 0 CGADHO CCCCCC[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000841026472 635108098 /nfs/dbraw/zinc/10/80/98/635108098.db2.gz DFLRBGUUZDNEBO-GOEBONIOSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000843344375 635652313 /nfs/dbraw/zinc/65/23/13/635652313.db2.gz YBMSSUZZPWSPDY-ZDUSSCGKSA-N 1 3 272.367 3.444 20 0 CGADHO C[NH2+]CCCN1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000843359080 635653962 /nfs/dbraw/zinc/65/39/62/635653962.db2.gz GSDXTYJZDADWJU-LSDHHAIUSA-N 1 3 296.480 3.026 20 0 CGADHO C[C@@H](NCCC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844922961 635984682 /nfs/dbraw/zinc/98/46/82/635984682.db2.gz DPLQKDXCDFMACE-UTUOFQBUSA-N 1 3 279.255 3.081 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCC(C)(C)CO2)CC1 ZINC000883249665 636620448 /nfs/dbraw/zinc/62/04/48/636620448.db2.gz NFJSPUBDFGFJTH-OAHLLOKOSA-N 1 3 282.472 3.044 20 0 CGADHO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CCCN[C@@H]21 ZINC000925490638 638374392 /nfs/dbraw/zinc/37/43/92/638374392.db2.gz GKYVEXUKMZGGKS-BPQIPLTHSA-N 1 3 297.446 3.077 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)C1 ZINC000924962038 638432459 /nfs/dbraw/zinc/43/24/59/638432459.db2.gz YEXRLESAOGMRGN-XUWVNRHRSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccns1 ZINC000925085477 638448912 /nfs/dbraw/zinc/44/89/12/638448912.db2.gz HRWUVCJVOUYTLT-YPMHNXCESA-N 1 3 269.458 3.160 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCc2nccs2)CC1 ZINC000925444198 638503890 /nfs/dbraw/zinc/50/38/90/638503890.db2.gz VSOLPBKJIVLBHC-UHFFFAOYSA-N 1 3 295.496 3.176 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCSc2ccc(Cl)cc2)C12CCC2 ZINC000925516978 638516265 /nfs/dbraw/zinc/51/62/65/638516265.db2.gz VTAJJYYNOSIBEZ-ZIAGYGMSSA-N 1 3 296.867 3.292 20 0 CGADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925522115 638517515 /nfs/dbraw/zinc/51/75/15/638517515.db2.gz FMIDVJXIWSRIGH-ZJIFWQFVSA-N 1 3 282.497 3.028 20 0 CGADHO CC1(C)C[C@@H](N[C@H](c2cccnc2)C2CC2)C[C@@H]([NH3+])C1 ZINC000925632091 638550487 /nfs/dbraw/zinc/55/04/87/638550487.db2.gz ZTZOVXWFPNQDHZ-PMPSAXMXSA-N 1 3 273.424 3.028 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC1CCC2(CC2)CC1)c1ccccc1 ZINC000925652269 638558429 /nfs/dbraw/zinc/55/84/29/638558429.db2.gz PGBONXOSIATVMP-XJKSGUPXSA-N 1 3 258.409 3.387 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccccc3F)C1)[NH2+]2 ZINC000925656812 638559373 /nfs/dbraw/zinc/55/93/73/638559373.db2.gz PHMWHOROAXYCKK-WZFAXLERSA-N 1 3 288.410 3.190 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925700146 638572085 /nfs/dbraw/zinc/57/20/85/638572085.db2.gz ZBEUIMVCGWBHPX-IACUBPJLSA-N 1 3 292.389 3.333 20 0 CGADHO CCOc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1OCC ZINC000925741009 638592580 /nfs/dbraw/zinc/59/25/80/638592580.db2.gz MKWHKQBWAXWHMT-CYBMUJFWSA-N 1 3 294.439 3.262 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000925742705 638592720 /nfs/dbraw/zinc/59/27/20/638592720.db2.gz XEZGKUAPBCOWFZ-MRVPVSSYSA-N 1 3 290.238 3.354 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000925742706 638593221 /nfs/dbraw/zinc/59/32/21/638593221.db2.gz XEZGKUAPBCOWFZ-QMMMGPOBSA-N 1 3 290.238 3.354 20 0 CGADHO C1[C@@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000925766124 638603190 /nfs/dbraw/zinc/60/31/90/638603190.db2.gz PJHSDKRTGFITOQ-NNPSNHGLSA-N 1 3 276.468 3.323 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925775539 638608973 /nfs/dbraw/zinc/60/89/73/638608973.db2.gz GZDIHHNSFGFKBS-RYUDHWBXSA-N 1 3 286.341 3.030 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)CCO2 ZINC000858490620 638741237 /nfs/dbraw/zinc/74/12/37/638741237.db2.gz KXHIQIGDOJMWIJ-LSDHHAIUSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CCC[C@@H](C)O2)CC1 ZINC000926704308 638801469 /nfs/dbraw/zinc/80/14/69/638801469.db2.gz JHKLHKOYCSZIAH-WBVHZDCISA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000926827024 638815888 /nfs/dbraw/zinc/81/58/88/638815888.db2.gz UAPWAKGMBCVCBD-RYQLBKOJSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cc(F)c(CN[C@H](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000927094563 638841023 /nfs/dbraw/zinc/84/10/23/638841023.db2.gz LRRZKSRIPMFOFJ-GFCCVEGCSA-N 1 3 282.378 3.093 20 0 CGADHO CN1C[C@]2(C)C[N@H+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314585 639133603 /nfs/dbraw/zinc/13/36/03/639133603.db2.gz PROOHAVPRZUBIH-KDURUIRLSA-N 1 3 295.430 3.008 20 0 CGADHO CN1C[C@]2(C)C[N@@H+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314585 639133607 /nfs/dbraw/zinc/13/36/07/639133607.db2.gz PROOHAVPRZUBIH-KDURUIRLSA-N 1 3 295.430 3.008 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253191746 640874330 /nfs/dbraw/zinc/87/43/30/640874330.db2.gz MNBFTEZNVQLQNR-MBNYWOFBSA-N 1 3 298.377 3.266 20 0 CGADHO CC(C)(C)c1cc(Nc2cccc(OCC[NH3+])c2)ccn1 ZINC001159240208 806063987 /nfs/dbraw/zinc/06/39/87/806063987.db2.gz BMCPRZGQXSOTBU-UHFFFAOYSA-N 1 3 285.391 3.460 20 0 CGADHO CN(C)Cc1ccccc1Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001159674897 806147879 /nfs/dbraw/zinc/14/78/79/806147879.db2.gz MLCQSZBNDFLNJV-UHFFFAOYSA-N 1 3 295.430 3.180 20 0 CGADHO CCCCC[C@H](O)CNC1CC[NH+](C(CC)CC)CC1 ZINC001253557505 806255738 /nfs/dbraw/zinc/25/57/38/806255738.db2.gz CALGNLORMNFRGN-KRWDZBQOSA-N 1 3 284.488 3.170 20 0 CGADHO CC[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC001254500114 806420721 /nfs/dbraw/zinc/42/07/21/806420721.db2.gz FLGGGLYTUSHCKI-CVEARBPZSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500114 806420725 /nfs/dbraw/zinc/42/07/25/806420725.db2.gz FLGGGLYTUSHCKI-CVEARBPZSA-N 1 3 264.388 3.351 20 0 CGADHO C[N@@H+]1CCC[C@H](NCc2csc3ccccc23)CC1 ZINC001254507755 806427478 /nfs/dbraw/zinc/42/74/78/806427478.db2.gz CZAGIIWLEGAZER-AWEZNQCLSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@H+]1CCC[C@H](NCc2csc3ccccc23)CC1 ZINC001254507755 806427483 /nfs/dbraw/zinc/42/74/83/806427483.db2.gz CZAGIIWLEGAZER-AWEZNQCLSA-N 1 3 274.433 3.475 20 0 CGADHO CCOc1cccc([C@@H](C)N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254509263 806428463 /nfs/dbraw/zinc/42/84/63/806428463.db2.gz XPSBXHNUBREXIM-GDBMZVCRSA-N 1 3 276.424 3.220 20 0 CGADHO CCOc1cccc([C@@H](C)N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509263 806428468 /nfs/dbraw/zinc/42/84/68/806428468.db2.gz XPSBXHNUBREXIM-GDBMZVCRSA-N 1 3 276.424 3.220 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC(c3ccccc3F)CC2)CC1 ZINC001254523606 806438293 /nfs/dbraw/zinc/43/82/93/806438293.db2.gz PWKBKWKXFTWLRD-MRXNPFEDSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC(c3ccccc3F)CC2)CC1 ZINC001254523606 806438297 /nfs/dbraw/zinc/43/82/97/806438297.db2.gz PWKBKWKXFTWLRD-MRXNPFEDSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525465 806439031 /nfs/dbraw/zinc/43/90/31/806439031.db2.gz JHDAQFNRNMGISC-DOTOQJQBSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525465 806439037 /nfs/dbraw/zinc/43/90/37/806439037.db2.gz JHDAQFNRNMGISC-DOTOQJQBSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524616 806439492 /nfs/dbraw/zinc/43/94/92/806439492.db2.gz XXJZKVNRSKWOTB-AEFFLSMTSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524616 806439499 /nfs/dbraw/zinc/43/94/99/806439499.db2.gz XXJZKVNRSKWOTB-AEFFLSMTSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522394 806440568 /nfs/dbraw/zinc/44/05/68/806440568.db2.gz FQUVCICXJXXQOG-WMLDXEAASA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522394 806440575 /nfs/dbraw/zinc/44/05/75/806440575.db2.gz FQUVCICXJXXQOG-WMLDXEAASA-N 1 3 276.399 3.447 20 0 CGADHO NC1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255275723 806591288 /nfs/dbraw/zinc/59/12/88/806591288.db2.gz MUSDKTSMAPSYMC-CQSZACIVSA-N 1 3 296.867 3.095 20 0 CGADHO C[C@H](N)c1ccn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255393559 806633882 /nfs/dbraw/zinc/63/38/82/806633882.db2.gz OVIDAOGQIBUVCL-DOTOQJQBSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@H](N)c1ccn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393559 806633889 /nfs/dbraw/zinc/63/38/89/806633889.db2.gz OVIDAOGQIBUVCL-DOTOQJQBSA-N 1 3 298.434 3.130 20 0 CGADHO CC(C)c1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163415685 799082065 /nfs/dbraw/zinc/08/20/65/799082065.db2.gz NHGNWUOSXAAMCH-YOEHRIQHSA-N 1 3 260.425 3.227 20 0 CGADHO CC(C)Oc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC000380823259 799367994 /nfs/dbraw/zinc/36/79/94/799367994.db2.gz QIYFFRGUXCTRPK-MRXNPFEDSA-N 1 3 276.424 3.035 20 0 CGADHO CCCN(CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000383614006 799405551 /nfs/dbraw/zinc/40/55/51/799405551.db2.gz YWFRKMNLSDASFV-QGZVFWFLSA-N 1 3 260.425 3.431 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)n1c2ccccc2nc1[C@@H](C)N ZINC001255940861 806789485 /nfs/dbraw/zinc/78/94/85/806789485.db2.gz HNWZWZZZRJZIFJ-ZIAGYGMSSA-N 1 3 288.439 3.349 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCOC1CCCCC1 ZINC001255949876 806794137 /nfs/dbraw/zinc/79/41/37/806794137.db2.gz CBSKYNCNNJMUJE-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCCc3ccccc31)[NH2+]2 ZINC000709384267 800007561 /nfs/dbraw/zinc/00/75/61/800007561.db2.gz HWAYURDKLBPHSE-CCJAMMFBSA-N 1 3 270.420 3.183 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ccccc21 ZINC000712378464 800085027 /nfs/dbraw/zinc/08/50/27/800085027.db2.gz PMRZSGJOZBCMIN-SPCAWNFKSA-N 1 3 256.393 3.300 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000715493165 800136678 /nfs/dbraw/zinc/13/66/78/800136678.db2.gz XGFMTNOFIAKGMI-IXDOHACOSA-N 1 3 292.854 3.270 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000716333031 800169210 /nfs/dbraw/zinc/16/92/10/800169210.db2.gz BWINWUKRISMXQG-PWSUYJOCSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716333031 800169215 /nfs/dbraw/zinc/16/92/15/800169215.db2.gz BWINWUKRISMXQG-PWSUYJOCSA-N 1 3 287.234 3.266 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCCC2CC2)CC1 ZINC000720125253 800252670 /nfs/dbraw/zinc/25/26/70/800252670.db2.gz VHEOTJGQLMXGDM-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(Cl)c(Cl)c1 ZINC000925771686 800633829 /nfs/dbraw/zinc/63/38/29/800633829.db2.gz CQKUZGKRMLPFHX-CHWSQXEVSA-N 1 3 273.207 3.005 20 0 CGADHO CCCCOCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256561542 806916165 /nfs/dbraw/zinc/91/61/65/806916165.db2.gz AFFWQZZWVRDTNG-UHFFFAOYSA-N 1 3 270.461 3.046 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCCCCCCO)CC1 ZINC001256564379 806916525 /nfs/dbraw/zinc/91/65/25/806916525.db2.gz ZJQXUXIRRJEKFU-UHFFFAOYSA-N 1 3 284.488 3.172 20 0 CGADHO CC1=Cc2cccc(NCC3(N(C)C)CC[NH+](C)CC3)c2C1 ZINC001164212945 806917194 /nfs/dbraw/zinc/91/71/94/806917194.db2.gz KUVPMYUTZOIHIK-UHFFFAOYSA-N 1 3 299.462 3.084 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2ccncc2)CC1 ZINC001256752748 806971850 /nfs/dbraw/zinc/97/18/50/806971850.db2.gz FHDYQPKDOQVAEU-INIZCTEOSA-N 1 3 289.467 3.209 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@H]2C1 ZINC001172381568 808276102 /nfs/dbraw/zinc/27/61/02/808276102.db2.gz FHHIHGHIXKNGDR-FIDHJVLJSA-N 1 3 264.457 3.085 20 0 CGADHO CN(C)c1ccnc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001245346804 803706543 /nfs/dbraw/zinc/70/65/43/803706543.db2.gz NZWYDFQEHRXRIA-MRXNPFEDSA-N 1 3 267.376 3.239 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687846 803759326 /nfs/dbraw/zinc/75/93/26/803759326.db2.gz FWZGBFMPUOLWTG-GJZGRUSLSA-N 1 3 286.444 3.285 20 0 CGADHO c1ccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246072011 804111054 /nfs/dbraw/zinc/11/10/54/804111054.db2.gz NWGWLWXPAFLIGV-RTBURBONSA-N 1 3 280.415 3.140 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246074319 804112183 /nfs/dbraw/zinc/11/21/83/804112183.db2.gz CPTQPAQJTGNBOW-WBMJQRKESA-N 1 3 298.833 3.388 20 0 CGADHO c1ccc2c(c1)CCC21CCC([NH2+]C2CCNCC2)CC1 ZINC001246073751 804112740 /nfs/dbraw/zinc/11/27/40/804112740.db2.gz ZPDZLFPNOXHGCW-UHFFFAOYSA-N 1 3 284.447 3.155 20 0 CGADHO CC1(C)C[C@@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246074810 804114322 /nfs/dbraw/zinc/11/43/22/804114322.db2.gz GDRGPDWNFOOVHU-NSHDSACASA-N 1 3 284.806 3.142 20 0 CGADHO C[NH2+]CC[C@H](C)N[C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC001246077604 804115944 /nfs/dbraw/zinc/11/59/44/804115944.db2.gz VOWGLNARIZSSBE-CGTJXYLNSA-N 1 3 290.451 3.102 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC001246095443 804128810 /nfs/dbraw/zinc/12/88/10/804128810.db2.gz GFGQZZWZFXIHCE-HLLBOEOZSA-N 1 3 292.492 3.453 20 0 CGADHO C[C@H]1CNC[C@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246117602 804149744 /nfs/dbraw/zinc/14/97/44/804149744.db2.gz RGHMBFDMLPNFSH-ZUKISOHSSA-N 1 3 284.447 3.011 20 0 CGADHO C1CC12CNC[C@@H]2[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246128005 804155060 /nfs/dbraw/zinc/15/50/60/804155060.db2.gz DJPUUBFSTYLGHG-HNNXBMFYSA-N 1 3 262.441 3.221 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@]1(F)CCNC1 ZINC001246138731 804161920 /nfs/dbraw/zinc/16/19/20/804161920.db2.gz BTUGIIDEWXIIGS-IAGOWNOFSA-N 1 3 278.415 3.079 20 0 CGADHO CCCC[C@@H](CCC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246141473 804164941 /nfs/dbraw/zinc/16/49/41/804164941.db2.gz DBPOJOKABICLKH-ZACQAIPSSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001246147018 804168446 /nfs/dbraw/zinc/16/84/46/804168446.db2.gz WBHXFBWKIPIPCA-JHNDHUHGSA-N 1 3 290.476 3.063 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](NC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167094 804182240 /nfs/dbraw/zinc/18/22/40/804182240.db2.gz CLJVUHCKSADBCU-KZNAEPCWSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)s1 ZINC001246168846 804184407 /nfs/dbraw/zinc/18/44/07/804184407.db2.gz LKGAWYTVYAUYRM-ZFWWWQNUSA-N 1 3 280.481 3.355 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246177636 804192086 /nfs/dbraw/zinc/19/20/86/804192086.db2.gz CLAYCBNHEGIMRI-PSDLTNOISA-N 1 3 276.468 3.466 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246186742 804198908 /nfs/dbraw/zinc/19/89/08/804198908.db2.gz ATZKWRCXEIWGIK-JKSUJKDBSA-N 1 3 280.843 3.249 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246223473 804217721 /nfs/dbraw/zinc/21/77/21/804217721.db2.gz QXNGHQGGXCTCBI-SOUVJXGZSA-N 1 3 258.425 3.273 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCSCc2ccccc2)CC[NH2+]1 ZINC001246231187 804223305 /nfs/dbraw/zinc/22/33/05/804223305.db2.gz SHRDGOLLJUTBBY-DLBZAZTESA-N 1 3 292.492 3.286 20 0 CGADHO C[C@H]1CC[C@H](N[C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236303 804228747 /nfs/dbraw/zinc/22/87/47/804228747.db2.gz VKRYSQIAGWCXJM-LEUOFYLZSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246262290 804244559 /nfs/dbraw/zinc/24/45/59/804244559.db2.gz BWUCBWIZXRACEC-YGRLFVJLSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CCN1 ZINC001246262290 804244564 /nfs/dbraw/zinc/24/45/64/804244564.db2.gz BWUCBWIZXRACEC-YGRLFVJLSA-N 1 3 287.234 3.266 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273760 804250367 /nfs/dbraw/zinc/25/03/67/804250367.db2.gz SIENKWUAVKXZBT-MAZHCROVSA-N 1 3 280.843 3.391 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246284691 804258448 /nfs/dbraw/zinc/25/84/48/804258448.db2.gz CLJVUHCKSADBCU-KSZLIROESA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NCC[C@H](C)[NH3+] ZINC001246299461 804266779 /nfs/dbraw/zinc/26/67/79/804266779.db2.gz IRXMZYTXXKAFTQ-WDEREUQCSA-N 1 3 272.845 3.148 20 0 CGADHO C[C@@H](CCN)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246301276 804268552 /nfs/dbraw/zinc/26/85/52/804268552.db2.gz QZRULHOZJDJPPQ-JOYOIKCWSA-N 1 3 287.234 3.178 20 0 CGADHO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246305085 804270333 /nfs/dbraw/zinc/27/03/33/804270333.db2.gz OONTYHUWMYUTSR-CVEARBPZSA-N 1 3 292.854 3.318 20 0 CGADHO CC[C@@H]1C[C@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246308776 804271514 /nfs/dbraw/zinc/27/15/14/804271514.db2.gz MBPFAXWJBDCCOY-HUUCEWRRSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246313656 804274835 /nfs/dbraw/zinc/27/48/35/804274835.db2.gz VIZSFTOAJORKJB-ZIAGYGMSSA-N 1 3 280.843 3.160 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]Cc2cccc3sccc32)CN1 ZINC001246317888 804277513 /nfs/dbraw/zinc/27/75/13/804277513.db2.gz OPZBMOZGKQCIEA-WCQYABFASA-N 1 3 260.406 3.131 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC001246324485 804282440 /nfs/dbraw/zinc/28/24/40/804282440.db2.gz HEENFADVYGTYLN-HZPDHXFCSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246333496 804288241 /nfs/dbraw/zinc/28/82/41/804288241.db2.gz VGANSJSPKUHJGM-BZZMCLGOSA-N 1 3 272.436 3.443 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H]3CC34CCCC4)CCN2)cc1 ZINC001246337133 804291450 /nfs/dbraw/zinc/29/14/50/804291450.db2.gz WWYZQCCZQMYMDR-RCCFBDPRSA-N 1 3 284.447 3.272 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246335672 804291843 /nfs/dbraw/zinc/29/18/43/804291843.db2.gz LMBQPZOGKCOCSP-KOWPAETKSA-N 1 3 262.441 3.075 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246344051 804296072 /nfs/dbraw/zinc/29/60/72/804296072.db2.gz ALWCSDYZFLCIFS-GOEBONIOSA-N 1 3 298.833 3.388 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC001246351256 804299339 /nfs/dbraw/zinc/29/93/39/804299339.db2.gz STNGLUUTPDXQNC-MELADBBJSA-N 1 3 252.446 3.321 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC001246351003 804300017 /nfs/dbraw/zinc/30/00/17/804300017.db2.gz SXVVKLZCSCOESE-DISONHOPSA-N 1 3 270.420 3.195 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC001246351004 804300116 /nfs/dbraw/zinc/30/01/16/804300116.db2.gz SXVVKLZCSCOESE-IGKNDFSCSA-N 1 3 270.420 3.195 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCc2ccccc2N1 ZINC001246355654 804302175 /nfs/dbraw/zinc/30/21/75/804302175.db2.gz YYUKGXAGCUCNOF-RDJZCZTQSA-N 1 3 289.467 3.123 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)CC2)CCN1 ZINC001246358306 804304160 /nfs/dbraw/zinc/30/41/60/804304160.db2.gz CVXULYMIJVHFNZ-FZKCQIBNSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246367213 804307737 /nfs/dbraw/zinc/30/77/37/804307737.db2.gz TXJLYAMSNIPCKZ-AEFFLSMTSA-N 1 3 299.462 3.467 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC001246371194 804307820 /nfs/dbraw/zinc/30/78/20/804307820.db2.gz IPDSNFAKOVRATG-GOEBONIOSA-N 1 3 292.492 3.453 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC001246371193 804307879 /nfs/dbraw/zinc/30/78/79/804307879.db2.gz IPDSNFAKOVRATG-GDBMZVCRSA-N 1 3 292.492 3.453 20 0 CGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(C)cc1C ZINC001246369881 804308262 /nfs/dbraw/zinc/30/82/62/804308262.db2.gz DEBSPVOEUCWJAN-DOTOQJQBSA-N 1 3 260.425 3.486 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246380433 804312704 /nfs/dbraw/zinc/31/27/04/804312704.db2.gz HFXVTLLZHVGUFV-CQSZACIVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246380148 804312777 /nfs/dbraw/zinc/31/27/77/804312777.db2.gz FVRLAJDOHXNUDN-HIFRSBDPSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246380149 804313769 /nfs/dbraw/zinc/31/37/69/804313769.db2.gz FVRLAJDOHXNUDN-UKRRQHHQSA-N 1 3 250.430 3.077 20 0 CGADHO CCCC[C@@H](CCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246384719 804315736 /nfs/dbraw/zinc/31/57/36/804315736.db2.gz AJGIRCHEFPPRGI-OAHLLOKOSA-N 1 3 270.461 3.094 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)C1 ZINC001246387126 804317033 /nfs/dbraw/zinc/31/70/33/804317033.db2.gz BUKSYVJDPZCCGI-PBHICJAKSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H]1CC([NH2+]C2(Cc3cccc(F)c3)CCC2)C[C@H](C)N1 ZINC001246387538 804317646 /nfs/dbraw/zinc/31/76/46/804317646.db2.gz GXCLDOUKMJLTNT-KBPBESRZSA-N 1 3 290.426 3.410 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CCN1 ZINC001246445197 804333231 /nfs/dbraw/zinc/33/32/31/804333231.db2.gz VXKKRRHCOGGKAS-RWHKXBQASA-N 1 3 264.457 3.177 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+][C@@H]1CC12CNC2 ZINC001246445568 804333982 /nfs/dbraw/zinc/33/39/82/804333982.db2.gz PLWYDJLNSQYVSX-LSDHHAIUSA-N 1 3 252.446 3.467 20 0 CGADHO CCCCCC1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246447926 804335264 /nfs/dbraw/zinc/33/52/64/804335264.db2.gz XSAKCNYCGOQWSJ-YMAMQOFZSA-N 1 3 250.430 3.077 20 0 CGADHO CCCCCC1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246447926 804335271 /nfs/dbraw/zinc/33/52/71/804335271.db2.gz XSAKCNYCGOQWSJ-YMAMQOFZSA-N 1 3 250.430 3.077 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246456149 804337540 /nfs/dbraw/zinc/33/75/40/804337540.db2.gz ZUYOGEYMXVSGCM-FGTMMUONSA-N 1 3 290.426 3.193 20 0 CGADHO CC1(C)CC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246459357 804339616 /nfs/dbraw/zinc/33/96/16/804339616.db2.gz GBVPGNNVQZJQGO-GOEBONIOSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246467796 804346745 /nfs/dbraw/zinc/34/67/45/804346745.db2.gz ZSSGWWGJMDCHMI-KFWWJZLASA-N 1 3 250.430 3.349 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+][C@H]1CCNCC12CC2 ZINC001246475253 804352353 /nfs/dbraw/zinc/35/23/53/804352353.db2.gz UHMRRKSSKOQOMD-CABCVRRESA-N 1 3 252.446 3.467 20 0 CGADHO NC1=CC=C(C2CC[NH+](C3CCCCCCC3)CC2)NC1 ZINC001246495817 804360650 /nfs/dbraw/zinc/36/06/50/804360650.db2.gz RNKLEWBYSBZEAH-UHFFFAOYSA-N 1 3 289.467 3.141 20 0 CGADHO CCCCC[C@@H](CC)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246519305 804372252 /nfs/dbraw/zinc/37/22/52/804372252.db2.gz RNHGUBSIHJQMRR-HZPDHXFCSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H](CC)C1CNC1 ZINC001246520120 804372957 /nfs/dbraw/zinc/37/29/57/804372957.db2.gz VAXSXDGCBZKSCO-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246521146 804375907 /nfs/dbraw/zinc/37/59/07/804375907.db2.gz ZIPHEQKCMBVBMV-RBUKOAKNSA-N 1 3 288.479 3.477 20 0 CGADHO CCC[N@H+](CC1CC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246534832 804383093 /nfs/dbraw/zinc/38/30/93/804383093.db2.gz ZLTXACNKZIPIGD-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[N@@H+](CC1CC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246534832 804383101 /nfs/dbraw/zinc/38/31/01/804383101.db2.gz ZLTXACNKZIPIGD-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCN[C@H](C)C1 ZINC001246537346 804385976 /nfs/dbraw/zinc/38/59/76/804385976.db2.gz VJZOVYJEOAPMFM-HLLBOEOZSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCN[C@H](C)C1 ZINC001246537346 804385982 /nfs/dbraw/zinc/38/59/82/804385982.db2.gz VJZOVYJEOAPMFM-HLLBOEOZSA-N 1 3 290.451 3.089 20 0 CGADHO N[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539293 804387721 /nfs/dbraw/zinc/38/77/21/804387721.db2.gz HDWUTEXINJPXNW-IXDOHACOSA-N 1 3 258.409 3.136 20 0 CGADHO N[C@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539293 804387729 /nfs/dbraw/zinc/38/77/29/804387729.db2.gz HDWUTEXINJPXNW-IXDOHACOSA-N 1 3 258.409 3.136 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542321 804390520 /nfs/dbraw/zinc/39/05/20/804390520.db2.gz OKHMABMCFLNXBS-JQHSSLGASA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542321 804390528 /nfs/dbraw/zinc/39/05/28/804390528.db2.gz OKHMABMCFLNXBS-JQHSSLGASA-N 1 3 274.452 3.170 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC[C@@](C)([NH3+])CC1 ZINC001246548496 804397703 /nfs/dbraw/zinc/39/77/03/804397703.db2.gz GPWYCXMFWOTOFN-CZUORRHYSA-N 1 3 280.843 3.474 20 0 CGADHO C[C@@H]1CCN([C@H]2CCc3c(Cl)cccc3C2)C[C@H]1C[NH3+] ZINC001246551339 804400641 /nfs/dbraw/zinc/40/06/41/804400641.db2.gz MAVHWXUNOIROPA-YUELXQCFSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246553202 804402177 /nfs/dbraw/zinc/40/21/77/804402177.db2.gz SGDDFYUOLASPOW-VDHUWJSZSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246553202 804402182 /nfs/dbraw/zinc/40/21/82/804402182.db2.gz SGDDFYUOLASPOW-VDHUWJSZSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1CN ZINC001246553787 804403835 /nfs/dbraw/zinc/40/38/35/804403835.db2.gz UUAWKRSODNVYIZ-ISTRZQFTSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1CN ZINC001246553787 804403840 /nfs/dbraw/zinc/40/38/40/804403840.db2.gz UUAWKRSODNVYIZ-ISTRZQFTSA-N 1 3 292.854 3.114 20 0 CGADHO CC1(F)CCN([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246554804 804404406 /nfs/dbraw/zinc/40/44/06/804404406.db2.gz YJSIRLPFLMYIEJ-CQSZACIVSA-N 1 3 268.420 3.265 20 0 CGADHO CC(C)=CCC[C@@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555460 804404696 /nfs/dbraw/zinc/40/46/96/804404696.db2.gz GTFLQKPCVFFXRZ-CHWSQXEVSA-N 1 3 260.372 3.037 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001246563182 804412128 /nfs/dbraw/zinc/41/21/28/804412128.db2.gz JGACWQARNLIOJH-HDMKZQKVSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001246563182 804412129 /nfs/dbraw/zinc/41/21/29/804412129.db2.gz JGACWQARNLIOJH-HDMKZQKVSA-N 1 3 274.452 3.239 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563781 804414125 /nfs/dbraw/zinc/41/41/25/804414125.db2.gz BYJILGJRWJIIOR-LZWOXQAQSA-N 1 3 270.436 3.367 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563781 804414128 /nfs/dbraw/zinc/41/41/28/804414128.db2.gz BYJILGJRWJIIOR-LZWOXQAQSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570681 804417668 /nfs/dbraw/zinc/41/76/68/804417668.db2.gz SGOCRKZYYGFYGJ-VHDGCEQUSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570681 804417672 /nfs/dbraw/zinc/41/76/72/804417672.db2.gz SGOCRKZYYGFYGJ-VHDGCEQUSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246595061 804435747 /nfs/dbraw/zinc/43/57/47/804435747.db2.gz XLCWKLBPCVKJPZ-MGPQQGTHSA-N 1 3 296.455 3.366 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@H+](C(C)C)[C@H]2CCCNCC2)C1 ZINC001246595116 804437348 /nfs/dbraw/zinc/43/73/48/804437348.db2.gz RHRKRGALJQFDIM-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@@H+](C(C)C)[C@H]2CCCNCC2)C1 ZINC001246595116 804437349 /nfs/dbraw/zinc/43/73/49/804437349.db2.gz RHRKRGALJQFDIM-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246601915 804438453 /nfs/dbraw/zinc/43/84/53/804438453.db2.gz HXSGJMYCGJTRLT-MOPGFXCFSA-N 1 3 286.463 3.473 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246601915 804438458 /nfs/dbraw/zinc/43/84/58/804438458.db2.gz HXSGJMYCGJTRLT-MOPGFXCFSA-N 1 3 286.463 3.473 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246610307 804444698 /nfs/dbraw/zinc/44/46/98/804444698.db2.gz PEYKNYPZUFGXHZ-UKRRQHHQSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246610307 804444701 /nfs/dbraw/zinc/44/47/01/804444701.db2.gz PEYKNYPZUFGXHZ-UKRRQHHQSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246610307 804444705 /nfs/dbraw/zinc/44/47/05/804444705.db2.gz PEYKNYPZUFGXHZ-UKRRQHHQSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)CC(CC(C)C)N1CCC[C@]2(CC[NH2+]2)C1 ZINC001246614907 804448237 /nfs/dbraw/zinc/44/82/37/804448237.db2.gz VQRJLRBOVAGPOW-INIZCTEOSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](CC(C)C)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615836 804450744 /nfs/dbraw/zinc/45/07/44/804450744.db2.gz SVSOUWSDOQBTAT-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](CC(C)C)[N@@H+]1CCC[C@]2(CCCCN2)C1 ZINC001246615836 804450747 /nfs/dbraw/zinc/45/07/47/804450747.db2.gz SVSOUWSDOQBTAT-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](CC(C)C)[N@H+]1CCC[C@]2(CCCCN2)C1 ZINC001246615836 804450750 /nfs/dbraw/zinc/45/07/50/804450750.db2.gz SVSOUWSDOQBTAT-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CC(N2CCC[C@]3(CCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246618300 804451921 /nfs/dbraw/zinc/45/19/21/804451921.db2.gz JSLJFMUXBMDNBS-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC2(CCCc3ccccc32)CC1 ZINC001246618021 804452625 /nfs/dbraw/zinc/45/26/25/804452625.db2.gz FWESMTBFQGWQAB-INIZCTEOSA-N 1 3 286.463 3.355 20 0 CGADHO C1C[C@@]2(CN1C1CCCCCCC1)CCCC[NH2+]2 ZINC001246624779 804457267 /nfs/dbraw/zinc/45/72/67/804457267.db2.gz SFPBRBFRNPRKNP-MRXNPFEDSA-N 1 3 250.430 3.317 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624213 804457278 /nfs/dbraw/zinc/45/72/78/804457278.db2.gz OHLMLTHCJOINCE-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624213 804457281 /nfs/dbraw/zinc/45/72/81/804457281.db2.gz OHLMLTHCJOINCE-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO c1ccc(C2CCC(N3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246642153 804469148 /nfs/dbraw/zinc/46/91/48/804469148.db2.gz ZMDVBLJDOWHDEV-OPQOLIRYSA-N 1 3 270.420 3.149 20 0 CGADHO CC[C@@H]1C[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246644123 804471881 /nfs/dbraw/zinc/47/18/81/804471881.db2.gz JQSVHHXFEQUEMX-MSOLQXFVSA-N 1 3 298.474 3.497 20 0 CGADHO C1C[C@H]2[C@H](CCN2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246644421 804472150 /nfs/dbraw/zinc/47/21/50/804472150.db2.gz HPDCCPKOPMDTGP-JYJNAYRXSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@H](CC[N@@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246644421 804472153 /nfs/dbraw/zinc/47/21/53/804472153.db2.gz HPDCCPKOPMDTGP-JYJNAYRXSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246644421 804472157 /nfs/dbraw/zinc/47/21/57/804472157.db2.gz HPDCCPKOPMDTGP-JYJNAYRXSA-N 1 3 262.441 3.316 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H](CF)[C@H](C2(N)CC2)C1 ZINC001246689303 804497813 /nfs/dbraw/zinc/49/78/13/804497813.db2.gz IKUVAGMUBTUWQL-CAOSSQGBSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C2(N)CC2)C1 ZINC001246689303 804497817 /nfs/dbraw/zinc/49/78/17/804497817.db2.gz IKUVAGMUBTUWQL-CAOSSQGBSA-N 1 3 284.463 3.456 20 0 CGADHO CCCC1CCC([N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001246693735 804498749 /nfs/dbraw/zinc/49/87/49/804498749.db2.gz QKVWOOPUJJQJIY-BACDZXNISA-N 1 3 282.447 3.369 20 0 CGADHO CCCC1CCC([N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001246693735 804498753 /nfs/dbraw/zinc/49/87/53/804498753.db2.gz QKVWOOPUJJQJIY-BACDZXNISA-N 1 3 282.447 3.369 20 0 CGADHO C[NH2+]CC[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC001246773360 804504353 /nfs/dbraw/zinc/50/43/53/804504353.db2.gz BMQXEEYVPOPTCL-CQSZACIVSA-N 1 3 256.393 3.270 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CCC[C@H](C[NH3+])C2)cc1 ZINC001246775948 804506018 /nfs/dbraw/zinc/50/60/18/804506018.db2.gz LIOQJRHBIHANGP-LSDHHAIUSA-N 1 3 278.465 3.146 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246777726 804506360 /nfs/dbraw/zinc/50/63/60/804506360.db2.gz TVJIHWRNISZOIY-ROUUACIJSA-N 1 3 286.463 3.472 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246777726 804506366 /nfs/dbraw/zinc/50/63/66/804506366.db2.gz TVJIHWRNISZOIY-ROUUACIJSA-N 1 3 286.463 3.472 20 0 CGADHO NC[C@H]1CCC[N@@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246783009 804509552 /nfs/dbraw/zinc/50/95/52/804509552.db2.gz VHVPLALYZYXJLI-JLAWEPINSA-N 1 3 286.463 3.459 20 0 CGADHO NC[C@H]1CCC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246783009 804509557 /nfs/dbraw/zinc/50/95/57/804509557.db2.gz VHVPLALYZYXJLI-JLAWEPINSA-N 1 3 286.463 3.459 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](CC2CC2)C(C)C)C[C@H](CC)N1 ZINC001246788649 804513742 /nfs/dbraw/zinc/51/37/42/804513742.db2.gz HQGLGZPXVRACQQ-MUJYYYPQSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C(C)C)C[C@H](CC)N1 ZINC001246788649 804513748 /nfs/dbraw/zinc/51/37/48/804513748.db2.gz HQGLGZPXVRACQQ-MUJYYYPQSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@H]2c2cccs2)CC[NH2+]1 ZINC001246790491 804513847 /nfs/dbraw/zinc/51/38/47/804513847.db2.gz WWAMKYWBYJTWHK-AGIUHOORSA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2cccs2)CCN1 ZINC001246790491 804513851 /nfs/dbraw/zinc/51/38/51/804513851.db2.gz WWAMKYWBYJTWHK-AGIUHOORSA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2cccs2)CCN1 ZINC001246790491 804513856 /nfs/dbraw/zinc/51/38/56/804513856.db2.gz WWAMKYWBYJTWHK-AGIUHOORSA-N 1 3 250.411 3.026 20 0 CGADHO CCCC1CCC([N@@H+]2CCCC3(CNC3)C2)CC1 ZINC001246793646 804517626 /nfs/dbraw/zinc/51/76/26/804517626.db2.gz VQENMGOLJLDYTF-UHFFFAOYSA-N 1 3 250.430 3.031 20 0 CGADHO CCCC1CCC([N@H+]2CCCC3(CNC3)C2)CC1 ZINC001246793646 804517632 /nfs/dbraw/zinc/51/76/32/804517632.db2.gz VQENMGOLJLDYTF-UHFFFAOYSA-N 1 3 250.430 3.031 20 0 CGADHO C[N@H+](CC1CCC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246799706 804521254 /nfs/dbraw/zinc/52/12/54/804521254.db2.gz ANLNLLUCHYHVQV-HNNXBMFYSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@@H+](CC1CCC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246799706 804521259 /nfs/dbraw/zinc/52/12/59/804521259.db2.gz ANLNLLUCHYHVQV-HNNXBMFYSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCCCCCC2)CCN1 ZINC001246814793 804530810 /nfs/dbraw/zinc/53/08/10/804530810.db2.gz SIRIFWUGSMVMTL-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822673 804537361 /nfs/dbraw/zinc/53/73/61/804537361.db2.gz MIZQSLDOJJEIQE-ZVZYQTTQSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246822673 804537364 /nfs/dbraw/zinc/53/73/64/804537364.db2.gz MIZQSLDOJJEIQE-ZVZYQTTQSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246822673 804537368 /nfs/dbraw/zinc/53/73/68/804537368.db2.gz MIZQSLDOJJEIQE-ZVZYQTTQSA-N 1 3 288.435 3.363 20 0 CGADHO CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841249 804550046 /nfs/dbraw/zinc/55/00/46/804550046.db2.gz NLQZIFOKFRMGLD-DZGCQCFKSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@H]1CCCNC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841249 804550050 /nfs/dbraw/zinc/55/00/50/804550050.db2.gz NLQZIFOKFRMGLD-DZGCQCFKSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841249 804550052 /nfs/dbraw/zinc/55/00/52/804550052.db2.gz NLQZIFOKFRMGLD-DZGCQCFKSA-N 1 3 292.854 3.129 20 0 CGADHO CC[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246845366 804553890 /nfs/dbraw/zinc/55/38/90/804553890.db2.gz FULWVFSPUHKNGV-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246845366 804553894 /nfs/dbraw/zinc/55/38/94/804553894.db2.gz FULWVFSPUHKNGV-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246845217 804554235 /nfs/dbraw/zinc/55/42/35/804554235.db2.gz KUGZKWPWIRPYIA-VVLHAWIVSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246845217 804554240 /nfs/dbraw/zinc/55/42/40/804554240.db2.gz KUGZKWPWIRPYIA-VVLHAWIVSA-N 1 3 264.457 3.419 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246848494 804558848 /nfs/dbraw/zinc/55/88/48/804558848.db2.gz WCTSCHZDRNXBHO-JYJNAYRXSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246848494 804558854 /nfs/dbraw/zinc/55/88/54/804558854.db2.gz WCTSCHZDRNXBHO-JYJNAYRXSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246849334 804559349 /nfs/dbraw/zinc/55/93/49/804559349.db2.gz ZRFLEKQFVOYWLT-OWCLPIDISA-N 1 3 252.446 3.133 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246849334 804559354 /nfs/dbraw/zinc/55/93/54/804559354.db2.gz ZRFLEKQFVOYWLT-OWCLPIDISA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)C[C@H](C)N1 ZINC001246851050 804560442 /nfs/dbraw/zinc/56/04/42/804560442.db2.gz XYYMTTCXEHNIMT-YXPYIKCWSA-N 1 3 276.399 3.144 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C[C@H](C)N1 ZINC001246851050 804560445 /nfs/dbraw/zinc/56/04/45/804560445.db2.gz XYYMTTCXEHNIMT-YXPYIKCWSA-N 1 3 276.399 3.144 20 0 CGADHO C1[C@@H]2CCNC[C@H]2C[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849304 804560537 /nfs/dbraw/zinc/56/05/37/804560537.db2.gz ZPWFZAZVRSCURZ-HOTGVXAUSA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@@H]2CCNC[C@H]2C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849304 804560541 /nfs/dbraw/zinc/56/05/41/804560541.db2.gz ZPWFZAZVRSCURZ-HOTGVXAUSA-N 1 3 276.468 3.421 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCC[C@H]2C(C)C)C[C@@H](CC)N1 ZINC001246884258 804580110 /nfs/dbraw/zinc/58/01/10/804580110.db2.gz AETAUADIVKTDPM-FMKPAKJESA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCC[C@H]2C(C)C)C[C@@H](CC)N1 ZINC001246884258 804580114 /nfs/dbraw/zinc/58/01/14/804580114.db2.gz AETAUADIVKTDPM-FMKPAKJESA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246937886 804609041 /nfs/dbraw/zinc/60/90/41/804609041.db2.gz NIILJJDFPUMWQQ-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246937886 804609044 /nfs/dbraw/zinc/60/90/44/804609044.db2.gz NIILJJDFPUMWQQ-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO CCOCC[N@H+]([C@H](C)CCCC(C)C)C1CCNCC1 ZINC001246948865 804615991 /nfs/dbraw/zinc/61/59/91/804615991.db2.gz GBJKFSVOEMBXDW-MRXNPFEDSA-N 1 3 284.488 3.292 20 0 CGADHO CCOCC[N@@H+]([C@H](C)CCCC(C)C)C1CCNCC1 ZINC001246948865 804615994 /nfs/dbraw/zinc/61/59/94/804615994.db2.gz GBJKFSVOEMBXDW-MRXNPFEDSA-N 1 3 284.488 3.292 20 0 CGADHO C1CC2(C[N@@H+]1[C@H]1C[C@H]3CCC[C@@H](C1)N3)CCCCC2 ZINC001247000780 804634100 /nfs/dbraw/zinc/63/41/00/804634100.db2.gz XDPQKYVEPSEHSU-ZSHCYNCHSA-N 1 3 262.441 3.316 20 0 CGADHO C1CC2(C[N@H+]1[C@H]1C[C@H]3CCC[C@@H](C1)N3)CCCCC2 ZINC001247000780 804634102 /nfs/dbraw/zinc/63/41/02/804634102.db2.gz XDPQKYVEPSEHSU-ZSHCYNCHSA-N 1 3 262.441 3.316 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001257084017 807046966 /nfs/dbraw/zinc/04/69/66/807046966.db2.gz LRFFHHWHEVCXQW-MIFYACCESA-N 1 3 282.472 3.185 20 0 CGADHO CCC[C@@H](CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001257249919 807069919 /nfs/dbraw/zinc/06/99/19/807069919.db2.gz DXTSNSAFBMKYEV-QGZVFWFLSA-N 1 3 289.467 3.462 20 0 CGADHO CC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001257442659 807157942 /nfs/dbraw/zinc/15/79/42/807157942.db2.gz GGPIAPXJSJYVOU-MRXNPFEDSA-N 1 3 272.436 3.383 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001258010465 807265116 /nfs/dbraw/zinc/26/51/16/807265116.db2.gz BELMSHGWXUCZPZ-MRXNPFEDSA-N 1 3 270.436 3.321 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001258010465 807265120 /nfs/dbraw/zinc/26/51/20/807265120.db2.gz BELMSHGWXUCZPZ-MRXNPFEDSA-N 1 3 270.436 3.321 20 0 CGADHO CC(C)=CCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001258086576 807299065 /nfs/dbraw/zinc/29/90/65/807299065.db2.gz UZKYWOXTSNRWKC-INIZCTEOSA-N 1 3 273.424 3.339 20 0 CGADHO Cc1cc(F)cc(C)c1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168355855 807391744 /nfs/dbraw/zinc/39/17/44/807391744.db2.gz CSAAECBBQBTCIT-UHFFFAOYSA-N 1 3 290.426 3.407 20 0 CGADHO CCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccncc1 ZINC001168362973 807393369 /nfs/dbraw/zinc/39/33/69/807393369.db2.gz NXZOJGQYAFJRGY-SFHVURJKSA-N 1 3 287.451 3.387 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)NC1(C[NH3+])CC1 ZINC001258305281 807404989 /nfs/dbraw/zinc/40/49/89/807404989.db2.gz FZYXDZNUOPFVBZ-LBPRGKRZSA-N 1 3 282.453 3.151 20 0 CGADHO C[C@H](CC1CC1)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258453094 807458523 /nfs/dbraw/zinc/45/85/23/807458523.db2.gz IQSFJBHRUDVSKT-CYBMUJFWSA-N 1 3 276.399 3.264 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](C)CN ZINC001169062040 807563674 /nfs/dbraw/zinc/56/36/74/807563674.db2.gz QDHSMXPLDOPWQI-RDJZCZTQSA-N 1 3 262.441 3.170 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)CN ZINC001169062040 807563677 /nfs/dbraw/zinc/56/36/77/807563677.db2.gz QDHSMXPLDOPWQI-RDJZCZTQSA-N 1 3 262.441 3.170 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)F)c1)C2 ZINC001169094025 807572946 /nfs/dbraw/zinc/57/29/46/807572946.db2.gz KCEWSEBBVOGBFT-QKDCVEJESA-N 1 3 280.362 3.339 20 0 CGADHO Cc1ccc(C(C)(C)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169099167 807576278 /nfs/dbraw/zinc/57/62/78/807576278.db2.gz OJTBQQIRBDRSGJ-BJWYYQGGSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc(C(C)(C)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099167 807576282 /nfs/dbraw/zinc/57/62/82/807576282.db2.gz OJTBQQIRBDRSGJ-BJWYYQGGSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C)o1 ZINC001169108986 807579230 /nfs/dbraw/zinc/57/92/30/807579230.db2.gz XMLQEIZFWQIAQD-LXTVHRRPSA-N 1 3 262.397 3.254 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001169123655 807585000 /nfs/dbraw/zinc/58/50/00/807585000.db2.gz LXACOYZJQABJKB-JJTUDDRGSA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001169123655 807585003 /nfs/dbraw/zinc/58/50/03/807585003.db2.gz LXACOYZJQABJKB-JJTUDDRGSA-N 1 3 290.838 3.411 20 0 CGADHO COc1ccc([C@H](C)N(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145698 807593358 /nfs/dbraw/zinc/59/33/58/807593358.db2.gz NIPAJVMDSHSRFC-LLLHUVSDSA-N 1 3 288.435 3.313 20 0 CGADHO COc1ccc([C@H](C)N(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145698 807593364 /nfs/dbraw/zinc/59/33/64/807593364.db2.gz NIPAJVMDSHSRFC-LLLHUVSDSA-N 1 3 288.435 3.313 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258761037 807598454 /nfs/dbraw/zinc/59/84/54/807598454.db2.gz GSBPQAXGNSVKOQ-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258761037 807598458 /nfs/dbraw/zinc/59/84/58/807598458.db2.gz GSBPQAXGNSVKOQ-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO CCC[NH+]1CCC(N(CC)Cc2ccc(OC)cc2)CC1 ZINC001258775806 807606255 /nfs/dbraw/zinc/60/62/55/807606255.db2.gz FSAXJXIRINBTDP-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CC[NH+]1CCC(N2CCc3ccccc3[C@H]2C)CC1 ZINC001169246684 807614546 /nfs/dbraw/zinc/61/45/46/807614546.db2.gz UUYBGJUXDDAPIH-CQSZACIVSA-N 1 3 258.409 3.090 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1c(F)cccc1OC ZINC001258899837 807668923 /nfs/dbraw/zinc/66/89/23/807668923.db2.gz TUOAZPVVAONKEY-CQSZACIVSA-N 1 3 296.430 3.434 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C(C)=O)c1ccccc1 ZINC001258899428 807669304 /nfs/dbraw/zinc/66/93/04/807669304.db2.gz LJBVCVAVSWGYMN-MAUKXSAKSA-N 1 3 290.451 3.417 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CC[C@](C)(F)[C@@H](F)C1 ZINC001258908027 807672045 /nfs/dbraw/zinc/67/20/45/807672045.db2.gz QGZMCRNTVTUZPG-KKUMJFAQSA-N 1 3 276.415 3.269 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CC[C@](C)(F)[C@H](F)C1 ZINC001258908032 807672735 /nfs/dbraw/zinc/67/27/35/807672735.db2.gz QGZMCRNTVTUZPG-ZNMIVQPWSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001170118040 807763831 /nfs/dbraw/zinc/76/38/31/807763831.db2.gz PESSRMQGVILQNH-NVXWUHKLSA-N 1 3 287.451 3.072 20 0 CGADHO C[C@H]1CC[C@@H](N2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117372 807764278 /nfs/dbraw/zinc/76/42/78/807764278.db2.gz KUTJNXWAFGTDIW-XJKSGUPXSA-N 1 3 276.399 3.264 20 0 CGADHO COc1cccc(C2([NH3+])CCN([C@H]3CC[C@@H](C)C3)CC2)c1 ZINC001170124591 807768372 /nfs/dbraw/zinc/76/83/72/807768372.db2.gz YBPZSJQXQLACGK-ZBFHGGJFSA-N 1 3 288.435 3.134 20 0 CGADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC001261836578 807793036 /nfs/dbraw/zinc/79/30/36/807793036.db2.gz GZOACQSYZJZZBD-PBHICJAKSA-N 1 3 290.426 3.393 20 0 CGADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCCNC1 ZINC001261836578 807793041 /nfs/dbraw/zinc/79/30/41/807793041.db2.gz GZOACQSYZJZZBD-PBHICJAKSA-N 1 3 290.426 3.393 20 0 CGADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC001262202621 807837503 /nfs/dbraw/zinc/83/75/03/807837503.db2.gz YKTJJZDYRDIFGM-HRCADAONSA-N 1 3 294.414 3.009 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001170579101 807858632 /nfs/dbraw/zinc/85/86/32/807858632.db2.gz PQYHBFKGCGKLIP-SFHVURJKSA-N 1 3 297.531 3.351 20 0 CGADHO C[C@H]1CCN(c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001262671440 807892970 /nfs/dbraw/zinc/89/29/70/807892970.db2.gz DXIWADSURHIFLX-INIZCTEOSA-N 1 3 281.403 3.182 20 0 CGADHO C[C@H]1CCN(c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001262671440 807892973 /nfs/dbraw/zinc/89/29/73/807892973.db2.gz DXIWADSURHIFLX-INIZCTEOSA-N 1 3 281.403 3.182 20 0 CGADHO Cc1ccc2c(c1)nccc2NC[C@@H]1CCCC[NH2+]1 ZINC001171337875 808031628 /nfs/dbraw/zinc/03/16/28/808031628.db2.gz BNUBACAZHYUMGK-ZDUSSCGKSA-N 1 3 255.365 3.097 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171774776 808135790 /nfs/dbraw/zinc/13/57/90/808135790.db2.gz DRIMTUKGTXNBDP-ZBFHGGJFSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1Cc2cccc(F)c2C1 ZINC001171774776 808135793 /nfs/dbraw/zinc/13/57/93/808135793.db2.gz DRIMTUKGTXNBDP-ZBFHGGJFSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1Cc2cccc(F)c2C1 ZINC001171774776 808135797 /nfs/dbraw/zinc/13/57/97/808135797.db2.gz DRIMTUKGTXNBDP-ZBFHGGJFSA-N 1 3 290.426 3.147 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3ccccc3n1)C2 ZINC001172100514 808172444 /nfs/dbraw/zinc/17/24/44/808172444.db2.gz DDPAUXHNLZRVJH-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO Cn1ccc2cc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc21 ZINC001172099121 808172560 /nfs/dbraw/zinc/17/25/60/808172560.db2.gz IWOOJPFNBFQRJV-NNZMDNLPSA-N 1 3 297.446 3.283 20 0 CGADHO Cn1ccc2cc(CN[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc21 ZINC001172099121 808172563 /nfs/dbraw/zinc/17/25/63/808172563.db2.gz IWOOJPFNBFQRJV-NNZMDNLPSA-N 1 3 297.446 3.283 20 0 CGADHO Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172099487 808172734 /nfs/dbraw/zinc/17/27/34/808172734.db2.gz IMBYAWISIQCMLH-BJWYYQGGSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172099487 808172737 /nfs/dbraw/zinc/17/27/37/808172737.db2.gz IMBYAWISIQCMLH-BJWYYQGGSA-N 1 3 258.409 3.100 20 0 CGADHO CC(C)[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107197 808176309 /nfs/dbraw/zinc/17/63/09/808176309.db2.gz UNQZLSOLYDWLNU-ZJPYXAASSA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107197 808176312 /nfs/dbraw/zinc/17/63/12/808176312.db2.gz UNQZLSOLYDWLNU-ZJPYXAASSA-N 1 3 287.451 3.384 20 0 CGADHO CC[C@@H](CC(C)C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172392999 808283647 /nfs/dbraw/zinc/28/36/47/808283647.db2.gz HVTQOUWSZUUNJZ-KRWDZBQOSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)NC1CC([NH3+])C1 ZINC001172578724 808397272 /nfs/dbraw/zinc/39/72/72/808397272.db2.gz RBODTEJAVJIQMA-PUSIOWJLSA-N 1 3 288.769 3.019 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C1CC(N)C1 ZINC001172578724 808397282 /nfs/dbraw/zinc/39/72/82/808397282.db2.gz RBODTEJAVJIQMA-PUSIOWJLSA-N 1 3 288.769 3.019 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([NH+]1CCC(N(C)C3CC3)CC1)CC2 ZINC001172841680 808456386 /nfs/dbraw/zinc/45/63/86/808456386.db2.gz HFDLOLFMCJLVEO-HXUWFJFHSA-N 1 3 298.474 3.411 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](C)CSc1ccc(Cl)cc1 ZINC001172881252 808474981 /nfs/dbraw/zinc/47/49/81/808474981.db2.gz ZBRVHJJFISQXEA-GHMZBOCLSA-N 1 3 272.845 3.005 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173041470 808498536 /nfs/dbraw/zinc/49/85/36/808498536.db2.gz APLRGTUGYDQTGM-IRXDYDNUSA-N 1 3 294.483 3.188 20 0 CGADHO CCCOC1CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001173094182 808506886 /nfs/dbraw/zinc/50/68/86/808506886.db2.gz ITAAHCGXWQIPFX-VUROTCPHSA-N 1 3 282.472 3.187 20 0 CGADHO CC[NH+](CC)C1CCC(NCc2nc(C)ccc2F)CC1 ZINC001173104472 808510484 /nfs/dbraw/zinc/51/04/84/808510484.db2.gz QIYAKBCRMUIDGK-UHFFFAOYSA-N 1 3 293.430 3.272 20 0 CGADHO CC[C@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173281626 808582408 /nfs/dbraw/zinc/58/24/08/808582408.db2.gz AKFNGFNYMQFLEF-JKSUJKDBSA-N 1 3 273.424 3.091 20 0 CGADHO CCSC[C@@H](C)N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001173294126 808593642 /nfs/dbraw/zinc/59/36/42/808593642.db2.gz CLZXXAJJCKYAQB-LSDHHAIUSA-N 1 3 280.481 3.225 20 0 CGADHO CCSC[C@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001173293689 808594033 /nfs/dbraw/zinc/59/40/33/808594033.db2.gz CGHRAISILUKBAI-ZDUSSCGKSA-N 1 3 270.486 3.112 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553406 808646002 /nfs/dbraw/zinc/64/60/02/808646002.db2.gz YBNAYLNVICCMSC-MNOVXSKESA-N 1 3 289.250 3.499 20 0 CGADHO CN1CCC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275045626 808900198 /nfs/dbraw/zinc/90/01/98/808900198.db2.gz QMURGUIBAOJIQY-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO CN1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275045626 808900202 /nfs/dbraw/zinc/90/02/02/808900202.db2.gz QMURGUIBAOJIQY-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO Cc1cnc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC001278306609 809125386 /nfs/dbraw/zinc/12/53/86/809125386.db2.gz KLMHWZLRYBNPHG-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO Cc1cnc(CN2CCC3(CCC[N@H+](C)C3)CC2)c(C)c1 ZINC001278306609 809125391 /nfs/dbraw/zinc/12/53/91/809125391.db2.gz KLMHWZLRYBNPHG-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO C/C(=C\c1ccccc1)CNCC[N@@H+]1CCC(C)(C)C1 ZINC001179768097 809943642 /nfs/dbraw/zinc/94/36/42/809943642.db2.gz KOAXENYQNKQRJJ-DTQAZKPQSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C\c1ccccc1)CNCC[N@H+]1CCC(C)(C)C1 ZINC001179768097 809943645 /nfs/dbraw/zinc/94/36/45/809943645.db2.gz KOAXENYQNKQRJJ-DTQAZKPQSA-N 1 3 272.436 3.411 20 0 CGADHO CCCc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001179818420 809948573 /nfs/dbraw/zinc/94/85/73/809948573.db2.gz YGNAUVBZYYUCBQ-RCCFBDPRSA-N 1 3 272.436 3.069 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC001184135939 810178649 /nfs/dbraw/zinc/17/86/49/810178649.db2.gz XUYDCLKIRSHSFM-XJKSGUPXSA-N 1 3 292.854 3.375 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC12CCC(CC1)C2 ZINC001197929128 811465056 /nfs/dbraw/zinc/46/50/56/811465056.db2.gz CXQNPUMMOHKTBC-KLHKWILBSA-N 1 3 285.435 3.172 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC12CCC(CC1)C2 ZINC001197929128 811465063 /nfs/dbraw/zinc/46/50/63/811465063.db2.gz CXQNPUMMOHKTBC-KLHKWILBSA-N 1 3 285.435 3.172 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC001199843590 811602850 /nfs/dbraw/zinc/60/28/50/811602850.db2.gz PIJOMCAFZAORLF-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO CC(C)(C)CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC001202114591 812017358 /nfs/dbraw/zinc/01/73/58/812017358.db2.gz AGFZXKRGVZNNEH-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO C[NH+]1CCC(C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001203915832 812490459 /nfs/dbraw/zinc/49/04/59/812490459.db2.gz GTVHHHPWUSTWFS-UHFFFAOYSA-N 1 3 290.426 3.380 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@](C)(N)C1 ZINC001204782822 812735452 /nfs/dbraw/zinc/73/54/52/812735452.db2.gz KMXRLCSSZHUJHH-QGZVFWFLSA-N 1 3 254.377 3.071 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)(N)C1 ZINC001204782822 812735455 /nfs/dbraw/zinc/73/54/55/812735455.db2.gz KMXRLCSSZHUJHH-QGZVFWFLSA-N 1 3 254.377 3.071 20 0 CGADHO CC(C)(CC[N@@H+]1CCC[C@@](C)(N)C1)c1ccccc1 ZINC001204938089 812787016 /nfs/dbraw/zinc/78/70/16/812787016.db2.gz IIGLXNKZMNYLRX-QGZVFWFLSA-N 1 3 260.425 3.168 20 0 CGADHO CC(C)(CC[N@H+]1CCC[C@@](C)(N)C1)c1ccccc1 ZINC001204938089 812787019 /nfs/dbraw/zinc/78/70/19/812787019.db2.gz IIGLXNKZMNYLRX-QGZVFWFLSA-N 1 3 260.425 3.168 20 0 CGADHO [NH3+]CC1CCN(Cc2c(Cl)ncc3ccccc32)CC1 ZINC001205041441 812836498 /nfs/dbraw/zinc/83/64/98/812836498.db2.gz VCLLNIQRFXAXQX-UHFFFAOYSA-N 1 3 289.810 3.059 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc(F)c3ccccc23)CC1 ZINC001205101503 812864936 /nfs/dbraw/zinc/86/49/36/812864936.db2.gz HJHMPLRRJGKBLU-AWEZNQCLSA-N 1 3 272.367 3.292 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001205116917 812875367 /nfs/dbraw/zinc/87/53/67/812875367.db2.gz JCAZZOOOQJKVCU-AWEZNQCLSA-N 1 3 289.810 3.201 20 0 CGADHO Cc1ccc2c(c1)CN(Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001205164348 812893009 /nfs/dbraw/zinc/89/30/09/812893009.db2.gz DBTDUWUYPSFXTE-UHFFFAOYSA-N 1 3 278.399 3.157 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318319 812951400 /nfs/dbraw/zinc/95/14/00/812951400.db2.gz UCRPQKZHMSQGPV-WBVHZDCISA-N 1 3 290.451 3.199 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1CCNCC[C@@H]1C ZINC001205332331 812958522 /nfs/dbraw/zinc/95/85/22/812958522.db2.gz OSFGEIQTLDEVIR-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1CCNCC[C@@H]1C ZINC001205332331 812958526 /nfs/dbraw/zinc/95/85/26/812958526.db2.gz OSFGEIQTLDEVIR-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205601357 813018077 /nfs/dbraw/zinc/01/80/77/813018077.db2.gz DTVFJGMQAREDPX-DGCLKSJQSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1csc2ccccc12 ZINC001205901970 813124516 /nfs/dbraw/zinc/12/45/16/813124516.db2.gz GNFQWYOUSRNUEY-QWHCGFSZSA-N 1 3 274.433 3.461 20 0 CGADHO CCCOc1ccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904898 813128217 /nfs/dbraw/zinc/12/82/17/813128217.db2.gz YBVWWFFIKCIJKM-GOEBONIOSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@H]1CN(Cc2ccc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205994325 813155130 /nfs/dbraw/zinc/15/51/30/813155130.db2.gz KUSGJBIKLRJGHM-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206183193 813230891 /nfs/dbraw/zinc/23/08/91/813230891.db2.gz GCAUHYVJATWDQD-HOTGVXAUSA-N 1 3 264.388 3.071 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(C(F)(F)F)o2)CC1 ZINC001206318089 813287195 /nfs/dbraw/zinc/28/71/95/813287195.db2.gz MJGIMOVTCJXSLM-ZDUSSCGKSA-N 1 3 290.329 3.249 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+](CCCc2ccccc2F)C1 ZINC001206541825 813345454 /nfs/dbraw/zinc/34/54/54/813345454.db2.gz LFBZSTOEEMBSQF-KRWDZBQOSA-N 1 3 278.415 3.209 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+](CCCc2ccccc2F)C1 ZINC001206541825 813345459 /nfs/dbraw/zinc/34/54/59/813345459.db2.gz LFBZSTOEEMBSQF-KRWDZBQOSA-N 1 3 278.415 3.209 20 0 CGADHO Cc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)cs1 ZINC001206580073 813361569 /nfs/dbraw/zinc/36/15/69/813361569.db2.gz BYKLWCUTEOEREO-AWEZNQCLSA-N 1 3 252.427 3.007 20 0 CGADHO Cc1cc(F)ccc1CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589530 813365789 /nfs/dbraw/zinc/36/57/89/813365789.db2.gz HTRNAZKCUPSGRL-QGZVFWFLSA-N 1 3 278.415 3.487 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606310 813372364 /nfs/dbraw/zinc/37/23/64/813372364.db2.gz KCWGODMASAERIF-XHSDSOJGSA-N 1 3 250.430 3.040 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606310 813372372 /nfs/dbraw/zinc/37/23/72/813372372.db2.gz KCWGODMASAERIF-XHSDSOJGSA-N 1 3 250.430 3.040 20 0 CGADHO CCCCOc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206606409 813372982 /nfs/dbraw/zinc/37/29/82/813372982.db2.gz NBQVHQZGKHKYGX-QGZVFWFLSA-N 1 3 290.451 3.426 20 0 CGADHO NC[C@H]1CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001206606876 813373667 /nfs/dbraw/zinc/37/36/67/813373667.db2.gz VKLNAXNNIRFOFV-OAHLLOKOSA-N 1 3 280.843 3.333 20 0 CGADHO NC[C@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206606876 813373673 /nfs/dbraw/zinc/37/36/73/813373673.db2.gz VKLNAXNNIRFOFV-OAHLLOKOSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767450 813429945 /nfs/dbraw/zinc/42/99/45/813429945.db2.gz BPJMZVXHKMBOJJ-GOEBONIOSA-N 1 3 290.451 3.423 20 0 CGADHO CC(C)COc1ccc(CN2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767624 813430775 /nfs/dbraw/zinc/43/07/75/813430775.db2.gz CNPSOOUHUFIKCW-WBVHZDCISA-N 1 3 290.451 3.281 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001207282305 813534276 /nfs/dbraw/zinc/53/42/76/813534276.db2.gz HGBDYUMRWBZDDK-FMIVXFBMSA-N 1 3 260.425 3.219 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001207282305 813534281 /nfs/dbraw/zinc/53/42/81/813534281.db2.gz HGBDYUMRWBZDDK-FMIVXFBMSA-N 1 3 260.425 3.219 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](COC)CC(C)(C)C ZINC001207858698 813662178 /nfs/dbraw/zinc/66/21/78/813662178.db2.gz ZHOYMINAGBULOV-HUUCEWRRSA-N 1 3 272.477 3.148 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](COC)CC(C)(C)C ZINC001207858698 813662182 /nfs/dbraw/zinc/66/21/82/813662182.db2.gz ZHOYMINAGBULOV-HUUCEWRRSA-N 1 3 272.477 3.148 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1(C)CCOCC1 ZINC001208077499 813688421 /nfs/dbraw/zinc/68/84/21/813688421.db2.gz VHILNKVPLRGCGP-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1(C)CCOCC1 ZINC001208077499 813688425 /nfs/dbraw/zinc/68/84/25/813688425.db2.gz VHILNKVPLRGCGP-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO CS[C@@H](C)CC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001208140223 813706495 /nfs/dbraw/zinc/70/64/95/813706495.db2.gz DVEKGPGUPUYDFT-JKSUJKDBSA-N 1 3 284.513 3.468 20 0 CGADHO CS[C@@H](C)CC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001208140223 813706499 /nfs/dbraw/zinc/70/64/99/813706499.db2.gz DVEKGPGUPUYDFT-JKSUJKDBSA-N 1 3 284.513 3.468 20 0 CGADHO CC1=C[C@@H](C)[C@H](C[NH+]2CC3(C2)CCN(CC2CC2)C3)CC1 ZINC001208172648 813727176 /nfs/dbraw/zinc/72/71/76/813727176.db2.gz ZLHFAJJCJHLNOE-AEFFLSMTSA-N 1 3 288.479 3.397 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605968 813771744 /nfs/dbraw/zinc/77/17/44/813771744.db2.gz CSLVUIDSTDVEMH-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605968 813771749 /nfs/dbraw/zinc/77/17/49/813771749.db2.gz CSLVUIDSTDVEMH-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO CN(C)C1CC[NH+](CCC(C)(C)c2ccccc2)CC1 ZINC001208662243 813783950 /nfs/dbraw/zinc/78/39/50/813783950.db2.gz BGFKKIBUYDAZHS-UHFFFAOYSA-N 1 3 274.452 3.380 20 0 CGADHO C[NH+](C)C1CCN(CCC(C)(C)c2ccccc2)CC1 ZINC001208662243 813783954 /nfs/dbraw/zinc/78/39/54/813783954.db2.gz BGFKKIBUYDAZHS-UHFFFAOYSA-N 1 3 274.452 3.380 20 0 CGADHO C(C[N@@H+]1CCCC[C@H]1CCN1CCCC1)C1CC1 ZINC001208683812 813793838 /nfs/dbraw/zinc/79/38/38/813793838.db2.gz MGCMFBCXEIHVSZ-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO C(C[N@H+]1CCCC[C@H]1CCN1CCCC1)C1CC1 ZINC001208683812 813793840 /nfs/dbraw/zinc/79/38/40/813793840.db2.gz MGCMFBCXEIHVSZ-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO c1ccc(C[N@H+]2C[C@@H]3CCN(CCC4CC4)C[C@H]3C2)cc1 ZINC001208687401 813796931 /nfs/dbraw/zinc/79/69/31/813796931.db2.gz CPVAKLQYIJGFOT-OALUTQOASA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2C[C@@H]3CCN(CCC4CC4)C[C@H]3C2)cc1 ZINC001208687401 813796936 /nfs/dbraw/zinc/79/69/36/813796936.db2.gz CPVAKLQYIJGFOT-OALUTQOASA-N 1 3 284.447 3.240 20 0 CGADHO CC/C=C\CCN1CCN(CC[NH+](CCC)CCC)CC1 ZINC001208729572 813821437 /nfs/dbraw/zinc/82/14/37/813821437.db2.gz CYKQVWRXCBXNLB-FPLPWBNLSA-N 1 3 295.515 3.082 20 0 CGADHO C[NH+]1CCC2(CN(CCCc3ccccc3Cl)C2)CC1 ZINC001208875077 813877615 /nfs/dbraw/zinc/87/76/15/813877615.db2.gz QASTWVLVYVDTTL-UHFFFAOYSA-N 1 3 292.854 3.300 20 0 CGADHO CC1(C[NH+]2CCN(c3ccncc3)CC2)CCCCC1 ZINC001208898532 813889685 /nfs/dbraw/zinc/88/96/85/813889685.db2.gz VWAMNBHBLSALDJ-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO CC1(CN2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC001208898532 813889692 /nfs/dbraw/zinc/88/96/92/813889692.db2.gz VWAMNBHBLSALDJ-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO CCCN1C[C@@H]2C[NH+](CC3(C)CCCCC3)C[C@H]2C1 ZINC001208901464 813890892 /nfs/dbraw/zinc/89/08/92/813890892.db2.gz AAIFZJYOWDLUSQ-HZPDHXFCSA-N 1 3 264.457 3.230 20 0 CGADHO c1ccc(CN2CC[C@@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952370 813910274 /nfs/dbraw/zinc/91/02/74/813910274.db2.gz JJQGOHDQSDZUSU-JLAWEPINSA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CC[C@@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952370 813910278 /nfs/dbraw/zinc/91/02/78/813910278.db2.gz JJQGOHDQSDZUSU-JLAWEPINSA-N 1 3 284.447 3.383 20 0 CGADHO Cc1cc(N2CC[NH+](C[C@H]3C[C@@H]3C)CC2)c2ccccc2n1 ZINC001209411710 814019443 /nfs/dbraw/zinc/01/94/43/814019443.db2.gz UFILEMCKAFMGON-GOEBONIOSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434499 814034778 /nfs/dbraw/zinc/03/47/78/814034778.db2.gz YYBSQOJEAKQPAX-QXCFHYIPSA-N 1 3 284.447 3.096 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434499 814034782 /nfs/dbraw/zinc/03/47/82/814034782.db2.gz YYBSQOJEAKQPAX-QXCFHYIPSA-N 1 3 284.447 3.096 20 0 CGADHO C[NH+](C)CC[C@@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218306723 816159519 /nfs/dbraw/zinc/15/95/19/816159519.db2.gz WMWOVJSITNKBFE-GOSISDBHSA-N 1 3 296.414 3.362 20 0 CGADHO Cc1cc(F)cc(Cl)c1CN1CCC2(CC([NH3+])C2)CC1 ZINC001222215917 816376886 /nfs/dbraw/zinc/37/68/86/816376886.db2.gz OHANOONLULKFNC-UHFFFAOYSA-N 1 3 296.817 3.491 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615876 816478902 /nfs/dbraw/zinc/47/89/02/816478902.db2.gz SZXDHRLBGVEARK-YESZJQIVSA-N 1 3 296.499 3.292 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615876 816478907 /nfs/dbraw/zinc/47/89/07/816478907.db2.gz SZXDHRLBGVEARK-YESZJQIVSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H](C[NH+](C)C)Oc1ccc2ccccc2c1CN(C)C ZINC001228442638 817907820 /nfs/dbraw/zinc/90/78/20/817907820.db2.gz UYNJEGUXPJVRIA-AWEZNQCLSA-N 1 3 286.419 3.230 20 0 CGADHO CC(C)c1ccccc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001231877774 818197248 /nfs/dbraw/zinc/19/72/48/818197248.db2.gz UJTZQEUSLNPOPA-UHFFFAOYSA-N 1 3 272.436 3.338 20 0 CGADHO Cc1cc(CN2CCC3(C2)CC[NH+](C)CC3)c(F)cc1F ZINC001232787416 818441183 /nfs/dbraw/zinc/44/11/83/818441183.db2.gz ZPSFCGQWUCUZKY-UHFFFAOYSA-N 1 3 294.389 3.191 20 0 CGADHO c1c(CN2CCC3(CC3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235094333 819000042 /nfs/dbraw/zinc/00/00/42/819000042.db2.gz KLLXMGCTEBBQBI-UHFFFAOYSA-N 1 3 295.430 3.121 20 0 CGADHO CCc1ccc(C[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235191068 819029210 /nfs/dbraw/zinc/02/92/10/819029210.db2.gz PFSLVRMFHVIENX-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO CCc1ccc(C[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235191068 819029215 /nfs/dbraw/zinc/02/92/15/819029215.db2.gz PFSLVRMFHVIENX-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO CCc1ccc(CN2CCCCC23CC[NH2+]CC3)cc1 ZINC001235191068 819029221 /nfs/dbraw/zinc/02/92/21/819029221.db2.gz PFSLVRMFHVIENX-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO Cn1ccc2ccc(CN3CCCCC34CC[NH2+]CC4)cc21 ZINC001235190054 819029960 /nfs/dbraw/zinc/02/99/60/819029960.db2.gz SOFGQLXVSITZNZ-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO Cn1ccc2ccc(C[N@@H+]3CCCCC34CCNCC4)cc21 ZINC001235190054 819029968 /nfs/dbraw/zinc/02/99/68/819029968.db2.gz SOFGQLXVSITZNZ-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO Cn1ccc2ccc(C[N@H+]3CCCCC34CCNCC4)cc21 ZINC001235190054 819029973 /nfs/dbraw/zinc/02/99/73/819029973.db2.gz SOFGQLXVSITZNZ-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)o1 ZINC001235403615 819085687 /nfs/dbraw/zinc/08/56/87/819085687.db2.gz LJUFWLFFFDICGS-XOKHGSTOSA-N 1 3 294.414 3.105 20 0 CGADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)o1 ZINC001235403615 819085692 /nfs/dbraw/zinc/08/56/92/819085692.db2.gz LJUFWLFFFDICGS-XOKHGSTOSA-N 1 3 294.414 3.105 20 0 CGADHO Clc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235420737 819091798 /nfs/dbraw/zinc/09/17/98/819091798.db2.gz ANWFXLZHVOGWJI-QWHCGFSZSA-N 1 3 282.815 3.145 20 0 CGADHO CCCCC1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235431849 819095467 /nfs/dbraw/zinc/09/54/67/819095467.db2.gz DJROBQRJHQEHRL-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235431851 819096749 /nfs/dbraw/zinc/09/67/49/819096749.db2.gz DJROBQRJHQEHRL-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO CN(CCC[NH3+])CC(C)(C)Sc1ccc(Cl)cc1 ZINC001235435564 819097522 /nfs/dbraw/zinc/09/75/22/819097522.db2.gz POTYRWINZBYYTJ-UHFFFAOYSA-N 1 3 286.872 3.491 20 0 CGADHO COc1cc(Cl)ccc1CN(C)CCC1CC[NH2+]CC1 ZINC001235717357 819150546 /nfs/dbraw/zinc/15/05/46/819150546.db2.gz RTMBXKNDWMYMQR-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO CC[NH2+]C1CCN(C[C@@H](C)CCC=C(C)C)CC1 ZINC001235723796 819151613 /nfs/dbraw/zinc/15/16/13/819151613.db2.gz BPWCBVUZHHSZNI-HNNXBMFYSA-N 1 3 252.446 3.443 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235751057 819160193 /nfs/dbraw/zinc/16/01/93/819160193.db2.gz VFXHMJMCJGNXKY-HNNXBMFYSA-N 1 3 284.378 3.273 20 0 CGADHO CC/C=C\CCCCCCN(C)C[C@@H]1CC[NH2+]C1 ZINC001235841458 819183020 /nfs/dbraw/zinc/18/30/20/819183020.db2.gz GBAHZOBBGSBFHT-YIEVGGLXSA-N 1 3 252.446 3.444 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](N)CC[C@H]2C)c2ccccc12 ZINC001235892073 819200512 /nfs/dbraw/zinc/20/05/12/819200512.db2.gz LJKZDWUXVSLYGY-GDBMZVCRSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](N)CC[C@H]2C)c2ccccc12 ZINC001235892073 819200516 /nfs/dbraw/zinc/20/05/16/819200516.db2.gz LJKZDWUXVSLYGY-GDBMZVCRSA-N 1 3 268.404 3.460 20 0 CGADHO c1cc(-c2cccc(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)cs1 ZINC001235934652 819231218 /nfs/dbraw/zinc/23/12/18/819231218.db2.gz CHIFJVWHGCDSKT-SJLPKXTDSA-N 1 3 298.455 3.456 20 0 CGADHO CC/C=C\CCCCC[N@H+](CCOC)C1CCNCC1 ZINC001235947178 819235784 /nfs/dbraw/zinc/23/57/84/819235784.db2.gz YAPAVKHYQPOFJL-PLNGDYQASA-N 1 3 282.472 3.213 20 0 CGADHO CC/C=C\CCCCC[N@@H+](CCOC)C1CCNCC1 ZINC001235947178 819235791 /nfs/dbraw/zinc/23/57/91/819235791.db2.gz YAPAVKHYQPOFJL-PLNGDYQASA-N 1 3 282.472 3.213 20 0 CGADHO CC/C=C\CCCCCN(CCOC)C1CC[NH2+]CC1 ZINC001235947178 819235798 /nfs/dbraw/zinc/23/57/98/819235798.db2.gz YAPAVKHYQPOFJL-PLNGDYQASA-N 1 3 282.472 3.213 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235985619 819259869 /nfs/dbraw/zinc/25/98/69/819259869.db2.gz BRHOXBVHLAEFLZ-BLLLJJGKSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235985619 819259877 /nfs/dbraw/zinc/25/98/77/819259877.db2.gz BRHOXBVHLAEFLZ-BLLLJJGKSA-N 1 3 272.417 3.133 20 0 CGADHO COc1ccc([C@@H]2CCN(CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097582 819316110 /nfs/dbraw/zinc/31/61/10/819316110.db2.gz LDRHBXCDOBLNIS-IAGOWNOFSA-N 1 3 288.435 3.017 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2N)cc1C ZINC001236211013 819372000 /nfs/dbraw/zinc/37/20/00/819372000.db2.gz FIUAFYYHCUBELX-CVEARBPZSA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2N)cc1C ZINC001236211013 819372006 /nfs/dbraw/zinc/37/20/06/819372006.db2.gz FIUAFYYHCUBELX-CVEARBPZSA-N 1 3 276.424 3.014 20 0 CGADHO c1cc(C[N@@H+]2CCCC3(CCC3)C2)cc2c1CNC2 ZINC001236322880 819424754 /nfs/dbraw/zinc/42/47/54/819424754.db2.gz VGEYXMAPZLNIGI-UHFFFAOYSA-N 1 3 256.393 3.056 20 0 CGADHO c1cc(C[N@H+]2CCCC3(CCC3)C2)cc2c1CNC2 ZINC001236322880 819424756 /nfs/dbraw/zinc/42/47/56/819424756.db2.gz VGEYXMAPZLNIGI-UHFFFAOYSA-N 1 3 256.393 3.056 20 0 CGADHO Nc1ccnc2cc(-c3cccc4c3CC[NH2+]C4)ccc12 ZINC001236353694 819432142 /nfs/dbraw/zinc/43/21/42/819432142.db2.gz MXLIYSDTFUNPSU-UHFFFAOYSA-N 1 3 275.355 3.130 20 0 CGADHO CS[C@@H](C)CC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372610 819441225 /nfs/dbraw/zinc/44/12/25/819441225.db2.gz QWZGXVUYZYDYSY-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO CS[C@@H](C)CC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372610 819441228 /nfs/dbraw/zinc/44/12/28/819441228.db2.gz QWZGXVUYZYDYSY-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO CCCCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372689 819441798 /nfs/dbraw/zinc/44/17/98/819441798.db2.gz SSYRGASRSXYXOT-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372689 819441800 /nfs/dbraw/zinc/44/18/00/819441800.db2.gz SSYRGASRSXYXOT-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CC(C)C[NH2+]Cc1ccc(-c2nccc3c2CCN3)cc1 ZINC001236424917 819471646 /nfs/dbraw/zinc/47/16/46/819471646.db2.gz DTQSSNHUUKFPFL-UHFFFAOYSA-N 1 3 281.403 3.462 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@](F)(CN)C2)c2ccccc12 ZINC001236436508 819478367 /nfs/dbraw/zinc/47/83/67/819478367.db2.gz YBIZSGNOGOCCQO-QGZVFWFLSA-N 1 3 272.367 3.021 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@](F)(CN)C2)c2ccccc12 ZINC001236436508 819478375 /nfs/dbraw/zinc/47/83/75/819478375.db2.gz YBIZSGNOGOCCQO-QGZVFWFLSA-N 1 3 272.367 3.021 20 0 CGADHO c1cc2n(c1C[N@H+](Cc1ccccc1)C1CCC1)CCNC2 ZINC001236443035 819481594 /nfs/dbraw/zinc/48/15/94/819481594.db2.gz SQCSKYPVHFYKNQ-UHFFFAOYSA-N 1 3 295.430 3.146 20 0 CGADHO c1cc2n(c1C[N@@H+](Cc1ccccc1)C1CCC1)CCNC2 ZINC001236443035 819481599 /nfs/dbraw/zinc/48/15/99/819481599.db2.gz SQCSKYPVHFYKNQ-UHFFFAOYSA-N 1 3 295.430 3.146 20 0 CGADHO CCCN(Cc1ccccc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236833773 819612658 /nfs/dbraw/zinc/61/26/58/819612658.db2.gz CJDRMDBUTWHFDN-OAHLLOKOSA-N 1 3 260.425 3.071 20 0 CGADHO CCCN(Cc1c[nH]c2cccc(C)c12)C[C@@H]1CC[NH2+]C1 ZINC001236833885 819612700 /nfs/dbraw/zinc/61/27/00/819612700.db2.gz CWQIRGGZGMAIJZ-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1coc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236836254 819614483 /nfs/dbraw/zinc/61/44/83/819614483.db2.gz UELAYDHHAQVSSF-AWEZNQCLSA-N 1 3 272.392 3.254 20 0 CGADHO CCCN(Cc1ccc(CC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835724 819614552 /nfs/dbraw/zinc/61/45/52/819614552.db2.gz POLXRMLFDUKGAF-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCCN(Cc1ccc(C)c(OCC)c1)C[C@H]1CC[NH2+]C1 ZINC001236843281 819619080 /nfs/dbraw/zinc/61/90/80/819619080.db2.gz MTMAXEFPCJCAFR-KRWDZBQOSA-N 1 3 290.451 3.215 20 0 CGADHO C[C@@]1(CN)CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001237056354 819654894 /nfs/dbraw/zinc/65/48/94/819654894.db2.gz ICXNCLAGWRKYLO-INIZCTEOSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@]1(CN)CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001237056354 819654897 /nfs/dbraw/zinc/65/48/97/819654897.db2.gz ICXNCLAGWRKYLO-INIZCTEOSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(CCCc2ccc(Cl)cc2)C1 ZINC001237056354 819654902 /nfs/dbraw/zinc/65/49/02/819654902.db2.gz ICXNCLAGWRKYLO-INIZCTEOSA-N 1 3 280.843 3.333 20 0 CGADHO CCn1ccc2c1cccc2CN1CCC[C@@](C)(C[NH3+])C1 ZINC001237057402 819656468 /nfs/dbraw/zinc/65/64/68/819656468.db2.gz MCULZENFKPSREK-SFHVURJKSA-N 1 3 285.435 3.222 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@](C)(C[NH3+])C2)cc1C ZINC001237057404 819657371 /nfs/dbraw/zinc/65/73/71/819657371.db2.gz MDBPDCFYLNJADR-QGZVFWFLSA-N 1 3 260.425 3.173 20 0 CGADHO CCc1cccc(C)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001237336978 819732048 /nfs/dbraw/zinc/73/20/48/819732048.db2.gz YEERIJSBYJAYGW-UHFFFAOYSA-N 1 3 295.430 3.275 20 0 CGADHO C[NH+]1CC2(C1)CCN(Cc1ccc(F)c(C3CC3)c1)CC2 ZINC001238515555 820034212 /nfs/dbraw/zinc/03/42/12/820034212.db2.gz JFNZFIRGKYDMKT-UHFFFAOYSA-N 1 3 288.410 3.231 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(F)c(C3CC3)c1)CC2 ZINC001238515555 820034218 /nfs/dbraw/zinc/03/42/18/820034218.db2.gz JFNZFIRGKYDMKT-UHFFFAOYSA-N 1 3 288.410 3.231 20 0 CGADHO COc1ccc(C[C@H](C)N(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001341476381 936439322 /nfs/dbraw/zinc/43/93/22/936439322.db2.gz RJEBSORIMSSDSY-RDJZCZTQSA-N 1 3 290.451 3.042 20 0 CGADHO COc1ccc(C[C@H](C)N(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001341476381 936439324 /nfs/dbraw/zinc/43/93/24/936439324.db2.gz RJEBSORIMSSDSY-RDJZCZTQSA-N 1 3 290.451 3.042 20 0 CGADHO Cc1cnc2ccccc2c1NC1CC[NH+](C2CCC2)CC1 ZINC001344123930 936526990 /nfs/dbraw/zinc/52/69/90/936526990.db2.gz DSQHIHNOQLMNPX-UHFFFAOYSA-N 1 3 295.430 3.394 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC001352111914 937036993 /nfs/dbraw/zinc/03/69/93/937036993.db2.gz JLYVVZMMMIVCNE-DUVNUKRYSA-N 1 3 294.389 3.127 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001352834833 937051010 /nfs/dbraw/zinc/05/10/10/937051010.db2.gz VAMNRZUMJGJRHB-HZGUWWOASA-N 1 3 258.409 3.040 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)CC(C)(C)C ZINC001459949135 928727226 /nfs/dbraw/zinc/72/72/26/928727226.db2.gz DXRYTIKYDBIMPJ-LSDHHAIUSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)CC(C)(C)C ZINC001459949135 928727231 /nfs/dbraw/zinc/72/72/31/928727231.db2.gz DXRYTIKYDBIMPJ-LSDHHAIUSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cncc3ccccc32)C[C@@H]1C[NH3+] ZINC000397241831 928803980 /nfs/dbraw/zinc/80/39/80/928803980.db2.gz MEXCFZDPDFDTHE-YCPHGPKFSA-N 1 3 283.419 3.040 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)CCO1 ZINC001474108950 937841041 /nfs/dbraw/zinc/84/10/41/937841041.db2.gz LXYKSYFRAMXIRS-ZACQAIPSSA-N 1 3 282.472 3.044 20 0 CGADHO CCCCN(C[C@H](O)C[N@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614502 937494223 /nfs/dbraw/zinc/49/42/23/937494223.db2.gz OSYZRBFDELIESG-SJLPKXTDSA-N 1 3 292.467 3.162 20 0 CGADHO CCCCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614502 937494225 /nfs/dbraw/zinc/49/42/25/937494225.db2.gz OSYZRBFDELIESG-SJLPKXTDSA-N 1 3 292.467 3.162 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001461069381 937562238 /nfs/dbraw/zinc/56/22/38/937562238.db2.gz WOZLUBRFOWYUGC-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CCC1 ZINC001462084148 937617071 /nfs/dbraw/zinc/61/70/71/937617071.db2.gz KUACYXMVOVQEGE-ZBFHGGJFSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC001462202374 937624731 /nfs/dbraw/zinc/62/47/31/937624731.db2.gz NEBXJKRYJPXINY-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC001462202374 937624734 /nfs/dbraw/zinc/62/47/34/937624734.db2.gz NEBXJKRYJPXINY-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO Clc1ccccc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC000382403087 932739491 /nfs/dbraw/zinc/73/94/91/932739491.db2.gz WQFMSRRCZAUVBR-UHFFFAOYSA-N 1 3 278.827 3.306 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC001307476740 932957326 /nfs/dbraw/zinc/95/73/26/932957326.db2.gz HEOWTOQNPWPTHX-INIZCTEOSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC001307476740 932957332 /nfs/dbraw/zinc/95/73/32/932957332.db2.gz HEOWTOQNPWPTHX-INIZCTEOSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041409 933039436 /nfs/dbraw/zinc/03/94/36/933039436.db2.gz SSOUGUWVRMUNKG-HOTGVXAUSA-N 1 3 281.403 3.353 20 0 CGADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1[C@H]1C=CCCCCC1 ZINC001308089166 933046939 /nfs/dbraw/zinc/04/69/39/933046939.db2.gz KSOURKATZGYUEX-WMZOPIPTSA-N 1 3 285.435 3.481 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3(C)CC3)CC2)C1 ZINC001319974542 933968497 /nfs/dbraw/zinc/96/84/97/933968497.db2.gz RVHKWEFBBMSKTK-DZGCQCFKSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NC3(C)CC3)CC2)C1 ZINC001319974542 933968500 /nfs/dbraw/zinc/96/85/00/933968500.db2.gz RVHKWEFBBMSKTK-DZGCQCFKSA-N 1 3 250.430 3.172 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC001323977234 934445003 /nfs/dbraw/zinc/44/50/03/934445003.db2.gz NBJRLMPNWZFSRU-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3OC)C1 ZINC001323977234 934445010 /nfs/dbraw/zinc/44/50/10/934445010.db2.gz NBJRLMPNWZFSRU-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3OC)C1 ZINC001323977234 934445012 /nfs/dbraw/zinc/44/50/12/934445012.db2.gz NBJRLMPNWZFSRU-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)CCO1 ZINC001474108948 937841104 /nfs/dbraw/zinc/84/11/04/937841104.db2.gz LXYKSYFRAMXIRS-IKGGRYGDSA-N 1 3 282.472 3.044 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCc3ccsc32)C1 ZINC001549546924 938157785 /nfs/dbraw/zinc/15/77/85/938157785.db2.gz OAGQTRQGLRETEQ-GXTWGEPZSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCc3ccsc32)C1 ZINC001549546924 938157786 /nfs/dbraw/zinc/15/77/86/938157786.db2.gz OAGQTRQGLRETEQ-GXTWGEPZSA-N 1 3 264.438 3.057 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC2CC(c3ccc(Cl)cc3)C2)C12CCC2 ZINC001553026890 938196118 /nfs/dbraw/zinc/19/61/18/938196118.db2.gz ZYHLGYDHCVPUMM-AHNOJICISA-N 1 3 290.838 3.446 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001553026265 938196146 /nfs/dbraw/zinc/19/61/46/938196146.db2.gz RDMCDOURJLRISO-GMGZGELVSA-N 1 3 270.420 3.101 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3ccccc3F)C1)[NH2+]2 ZINC001553025959 938196154 /nfs/dbraw/zinc/19/61/54/938196154.db2.gz PHMWHOROAXYCKK-LUHDYYKZSA-N 1 3 288.410 3.190 20 0 CGADHO CC[NH+]1CCC(CCNCc2ccc(F)cc2F)CC1 ZINC001560355087 938254767 /nfs/dbraw/zinc/25/47/67/938254767.db2.gz MYWXAMVHPNFRJT-UHFFFAOYSA-N 1 3 282.378 3.176 20 0 CGADHO CO[C@H](CNCC[C@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC001560750960 938273810 /nfs/dbraw/zinc/27/38/10/938273810.db2.gz MRJIEEXZQVEWIS-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@H](C[NH2+]CC[C@H](C)N1CCCCC1)C1CCCC1 ZINC001560750960 938273811 /nfs/dbraw/zinc/27/38/11/938273811.db2.gz MRJIEEXZQVEWIS-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](N)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001576158706 960474870 /nfs/dbraw/zinc/47/48/70/960474870.db2.gz IDYKXROEJCPGHE-JTQLQIEISA-N 1 3 272.314 3.021 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(CCc2ccccc2F)C1 ZINC001575116205 962345324 /nfs/dbraw/zinc/34/53/24/962345324.db2.gz QNGDTUBJMYRRQP-KRWDZBQOSA-N 1 3 278.415 3.065 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC001575423469 962374187 /nfs/dbraw/zinc/37/41/87/962374187.db2.gz USYDZANBWWHASQ-ZDUSSCGKSA-N 1 3 288.357 3.368 20 0 CGADHO C[C@@]1(CN2CCCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502640 962464801 /nfs/dbraw/zinc/46/48/01/962464801.db2.gz DNGIJYBMPIYSDJ-ZWKOTPCHSA-N 1 3 290.426 3.222 20 0 CGADHO CCOc1cccc(Cl)c1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001578194125 962576208 /nfs/dbraw/zinc/57/62/08/962576208.db2.gz IRQGNWCREVXLAJ-OLZOCXBDSA-N 1 3 296.842 3.155 20 0 CGADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(Cl)cn1C ZINC001578463640 962590548 /nfs/dbraw/zinc/59/05/48/962590548.db2.gz MDYXOLNCKPGFAF-LQDVMPOASA-N 1 3 295.858 3.031 20 0 CGADHO Cc1coc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC001579829515 962676408 /nfs/dbraw/zinc/67/64/08/962676408.db2.gz DVBGWPUPDFJXQS-OAHLLOKOSA-N 1 3 276.424 3.190 20 0 CGADHO Cc1ncoc1CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001579888119 962683425 /nfs/dbraw/zinc/68/34/25/962683425.db2.gz OLCOWOTYABYXBA-GOEBONIOSA-N 1 3 291.439 3.103 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccccc1 ZINC000124803721 187154958 /nfs/dbraw/zinc/15/49/58/187154958.db2.gz FHLXFZMBOVDLIX-DLBZAZTESA-N 1 3 258.409 3.308 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccccc1 ZINC000124803721 187154959 /nfs/dbraw/zinc/15/49/59/187154959.db2.gz FHLXFZMBOVDLIX-DLBZAZTESA-N 1 3 258.409 3.308 20 0 CGADHO C[NH+](C)CCCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651692087 398270457 /nfs/dbraw/zinc/27/04/57/398270457.db2.gz SJPZCLHOBOGVHK-CYBMUJFWSA-N 1 3 284.806 3.398 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651686259 398268912 /nfs/dbraw/zinc/26/89/12/398268912.db2.gz VYMITGKQJZLFKE-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467779 529453182 /nfs/dbraw/zinc/45/31/82/529453182.db2.gz OBYKFPNDTXMZIF-ZFWWWQNUSA-N 1 3 264.413 3.109 20 0 CGADHO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCN ZINC000437770125 529471376 /nfs/dbraw/zinc/47/13/76/529471376.db2.gz FSYMSKHKOXOFAY-AWEZNQCLSA-N 1 3 299.256 3.099 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484020 529567841 /nfs/dbraw/zinc/56/78/41/529567841.db2.gz YDERNTLWFILGNZ-MSOLQXFVSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCC1)c1cccc(Br)c1 ZINC000423335960 529591570 /nfs/dbraw/zinc/59/15/70/529591570.db2.gz UKUATNGBPBNPKZ-ZDUSSCGKSA-N 1 3 297.240 3.371 20 0 CGADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423308207 529610799 /nfs/dbraw/zinc/61/07/99/529610799.db2.gz OHFFMBDCJJDXBQ-GWCFXTLKSA-N 1 3 290.329 3.221 20 0 CGADHO Cc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)ccc1F ZINC000623344836 349783973 /nfs/dbraw/zinc/78/39/73/349783973.db2.gz FECUOBGADLBMMS-AWEZNQCLSA-N 1 3 264.388 3.097 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc(Cl)cc1 ZINC000423257924 529619158 /nfs/dbraw/zinc/61/91/58/529619158.db2.gz ASQIDMQYGZGHAK-KBPBESRZSA-N 1 3 254.805 3.364 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432819 349808457 /nfs/dbraw/zinc/80/84/57/349808457.db2.gz LNALJFCAERZONG-HIFRSBDPSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432819 349808461 /nfs/dbraw/zinc/80/84/61/349808461.db2.gz LNALJFCAERZONG-HIFRSBDPSA-N 1 3 294.414 3.055 20 0 CGADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506335 349823652 /nfs/dbraw/zinc/82/36/52/349823652.db2.gz NZFAVPNZVORNGB-CVEARBPZSA-N 1 3 294.483 3.331 20 0 CGADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506335 349823655 /nfs/dbraw/zinc/82/36/55/349823655.db2.gz NZFAVPNZVORNGB-CVEARBPZSA-N 1 3 294.483 3.331 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560139 349834783 /nfs/dbraw/zinc/83/47/83/349834783.db2.gz WNGRZLYKDMOQEN-BHYGNILZSA-N 1 3 272.436 3.313 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560139 349834785 /nfs/dbraw/zinc/83/47/85/349834785.db2.gz WNGRZLYKDMOQEN-BHYGNILZSA-N 1 3 272.436 3.313 20 0 CGADHO c1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000128090283 187351295 /nfs/dbraw/zinc/35/12/95/187351295.db2.gz LHLRPZVXQHIYDB-JYSRZZCRSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000128090283 187351296 /nfs/dbraw/zinc/35/12/96/187351296.db2.gz LHLRPZVXQHIYDB-JYSRZZCRSA-N 1 3 270.420 3.149 20 0 CGADHO Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCN(C)C ZINC000623849849 349895520 /nfs/dbraw/zinc/89/55/20/349895520.db2.gz PZYSMPXEYGUKIN-LBPRGKRZSA-N 1 3 299.256 3.360 20 0 CGADHO Cc1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)ccc2n1 ZINC000295088946 199338866 /nfs/dbraw/zinc/33/88/66/199338866.db2.gz SXVRMNWWUPEFEI-AYHJJNSGSA-N 1 3 295.430 3.258 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000423282720 529985956 /nfs/dbraw/zinc/98/59/56/529985956.db2.gz WUNIJRHTLPEBTI-IUODEOHRSA-N 1 3 268.832 3.482 20 0 CGADHO Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000351603081 219142673 /nfs/dbraw/zinc/14/26/73/219142673.db2.gz RFLGPPQPURQZAG-QGZVFWFLSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000351603081 219142675 /nfs/dbraw/zinc/14/26/75/219142675.db2.gz RFLGPPQPURQZAG-QGZVFWFLSA-N 1 3 260.425 3.077 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534869 345012975 /nfs/dbraw/zinc/01/29/75/345012975.db2.gz ZRVRILRDMXMDEC-JKSUJKDBSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534869 345012978 /nfs/dbraw/zinc/01/29/78/345012978.db2.gz ZRVRILRDMXMDEC-JKSUJKDBSA-N 1 3 290.451 3.466 20 0 CGADHO C(C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000051925316 345094029 /nfs/dbraw/zinc/09/40/29/345094029.db2.gz UHPOJRUQMYKURC-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO C(C1CCCCC1)[NH+]1CCC(N2CCCC2)CC1 ZINC000051925316 345094030 /nfs/dbraw/zinc/09/40/30/345094030.db2.gz UHPOJRUQMYKURC-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO C[C@@H](c1ccccc1Cl)N1CCC(CC[NH3+])CC1 ZINC000070183681 345388744 /nfs/dbraw/zinc/38/87/44/345388744.db2.gz QWZRXZOUTYNANC-LBPRGKRZSA-N 1 3 266.816 3.462 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1ccncc1Cl ZINC000088781135 345765180 /nfs/dbraw/zinc/76/51/80/345765180.db2.gz BIZXGIIQOPQNKO-ZDUSSCGKSA-N 1 3 283.847 3.335 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000092043352 345827885 /nfs/dbraw/zinc/82/78/85/345827885.db2.gz KTCUSYZOLFTIDE-HCXYKTFWSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000092043352 345827889 /nfs/dbraw/zinc/82/78/89/345827889.db2.gz KTCUSYZOLFTIDE-HCXYKTFWSA-N 1 3 284.447 3.206 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000168946446 232266166 /nfs/dbraw/zinc/26/61/66/232266166.db2.gz FXYRTAJTIPUMLL-KBRIMQKVSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168946446 232266168 /nfs/dbraw/zinc/26/61/68/232266168.db2.gz FXYRTAJTIPUMLL-KBRIMQKVSA-N 1 3 292.854 3.487 20 0 CGADHO COc1ccsc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000093688414 345885664 /nfs/dbraw/zinc/88/56/64/345885664.db2.gz MADHFNLEEQPIAH-UHFFFAOYSA-N 1 3 296.480 3.311 20 0 CGADHO [NH3+]CCCN1CCC(c2cccc3ccccc32)CC1 ZINC000141266860 346107925 /nfs/dbraw/zinc/10/79/25/346107925.db2.gz JHGKHWOAIAARPW-UHFFFAOYSA-N 1 3 268.404 3.368 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000227055512 346308399 /nfs/dbraw/zinc/30/83/99/346308399.db2.gz ZNLHZPGRNXPLOC-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@H]3CC4CCC3CC4)CC2)ccn1 ZINC000400146424 346589232 /nfs/dbraw/zinc/58/92/32/346589232.db2.gz UCURXJCTIPPXJN-OFLPRAFFSA-N 1 3 299.462 3.466 20 0 CGADHO CCC1(C[NH2+][C@H]2CCNCC[C@H]2C)CCCCC1 ZINC000423051388 282508430 /nfs/dbraw/zinc/50/84/30/282508430.db2.gz NZWRXRDJARWECS-CABCVRRESA-N 1 3 252.446 3.325 20 0 CGADHO C[NH+](C)[C@H](CNc1ccnc2ccccc21)c1cccs1 ZINC000599441230 347745497 /nfs/dbraw/zinc/74/54/97/347745497.db2.gz YQQJOKIRVUYOCN-MRXNPFEDSA-N 1 3 297.427 3.433 20 0 CGADHO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CCC2 ZINC000624120624 349976735 /nfs/dbraw/zinc/97/67/35/349976735.db2.gz CQRZJHOIQIKEAN-KGLIPLIRSA-N 1 3 293.480 3.150 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119867 349976974 /nfs/dbraw/zinc/97/69/74/349976974.db2.gz LBXWHFOAIAORCZ-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624121006 349978501 /nfs/dbraw/zinc/97/85/01/349978501.db2.gz LMJOSCUWXYEBMI-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121006 349978504 /nfs/dbraw/zinc/97/85/04/349978504.db2.gz LMJOSCUWXYEBMI-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC2 ZINC000624121006 349978506 /nfs/dbraw/zinc/97/85/06/349978506.db2.gz LMJOSCUWXYEBMI-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000624123153 349981729 /nfs/dbraw/zinc/98/17/29/349981729.db2.gz GTPKSOTWXSKGNP-AWEZNQCLSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122740 349982026 /nfs/dbraw/zinc/98/20/26/349982026.db2.gz ZULFXRYUESZALC-NWDGAFQWSA-N 1 3 266.351 3.039 20 0 CGADHO CC[N@H+](CCCCOc1ccccc1)[C@@H]1CCCNCC1 ZINC000339409836 215155638 /nfs/dbraw/zinc/15/56/38/215155638.db2.gz NZJMPEABPXWHGC-QGZVFWFLSA-N 1 3 290.451 3.310 20 0 CGADHO CC[N@@H+](CCCCOc1ccccc1)[C@@H]1CCCNCC1 ZINC000339409836 215155639 /nfs/dbraw/zinc/15/56/39/215155639.db2.gz NZJMPEABPXWHGC-QGZVFWFLSA-N 1 3 290.451 3.310 20 0 CGADHO Clc1ccc(CNCCCCC[NH+]2CCCC2)o1 ZINC000339499839 215211648 /nfs/dbraw/zinc/21/16/48/215211648.db2.gz IUUWQGIDMZLHDV-UHFFFAOYSA-N 1 3 270.804 3.289 20 0 CGADHO C[C@H]([NH2+]CC1(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000358183153 233074482 /nfs/dbraw/zinc/07/44/82/233074482.db2.gz DQJHGZGVXRCNLE-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358358428 233116148 /nfs/dbraw/zinc/11/61/48/233116148.db2.gz SIPHSTVJUCBUMS-SOLBZPMBSA-N 1 3 296.499 3.028 20 0 CGADHO CCCC1CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000414823167 282633515 /nfs/dbraw/zinc/63/35/15/282633515.db2.gz BCLHFJVMZOHTBE-UIDBIOKJSA-N 1 3 252.446 3.323 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351281 191089606 /nfs/dbraw/zinc/08/96/06/191089606.db2.gz YMFNRQSKFKPSKE-NVXWUHKLSA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351281 191089608 /nfs/dbraw/zinc/08/96/08/191089608.db2.gz YMFNRQSKFKPSKE-NVXWUHKLSA-N 1 3 276.399 3.099 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629546225 350709645 /nfs/dbraw/zinc/70/96/45/350709645.db2.gz FXWMVTYIYHJCFD-ZETOZRRWSA-N 1 3 266.816 3.433 20 0 CGADHO [NH3+]C[C@@H]1CN(CCCC2CCC2)CC[C@H]1C(F)(F)F ZINC000629561802 350713895 /nfs/dbraw/zinc/71/38/95/350713895.db2.gz JPQWSHLNPSLEMW-CHWSQXEVSA-N 1 3 278.362 3.026 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000629516059 350699886 /nfs/dbraw/zinc/69/98/86/350699886.db2.gz ZUZBVTFPOGUCLD-VGWMRTNUSA-N 1 3 258.409 3.038 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000629516059 350699887 /nfs/dbraw/zinc/69/98/87/350699887.db2.gz ZUZBVTFPOGUCLD-VGWMRTNUSA-N 1 3 258.409 3.038 20 0 CGADHO CC(C)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631196165 350987267 /nfs/dbraw/zinc/98/72/67/350987267.db2.gz NYIQOOKZDFELQC-RDJZCZTQSA-N 1 3 260.425 3.000 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@@H](C)O1 ZINC000631699272 351121781 /nfs/dbraw/zinc/12/17/81/351121781.db2.gz DHVIADRUDVBHNI-CZIKEKGBSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)[C@@H](C)O1 ZINC000631699272 351121785 /nfs/dbraw/zinc/12/17/85/351121785.db2.gz DHVIADRUDVBHNI-CZIKEKGBSA-N 1 3 294.483 3.185 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC000631571806 351071626 /nfs/dbraw/zinc/07/16/26/351071626.db2.gz IRTOJQDORZVROS-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000635004654 351622654 /nfs/dbraw/zinc/62/26/54/351622654.db2.gz FWLUAOVQXSYFQJ-BRWVUGGUSA-N 1 3 278.415 3.064 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635009875 351628135 /nfs/dbraw/zinc/62/81/35/351628135.db2.gz IAIPECDOOZJIBD-MJBXVCDLSA-N 1 3 252.446 3.179 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000635011844 351629886 /nfs/dbraw/zinc/62/98/86/351629886.db2.gz PNQZQJINXUYDPE-ILXRZTDVSA-N 1 3 270.436 3.273 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCc3ccccc32)C1 ZINC000635012602 351630467 /nfs/dbraw/zinc/63/04/67/351630467.db2.gz UMVRYNWZSZSRBK-GDBMZVCRSA-N 1 3 258.409 3.042 20 0 CGADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000123878108 187112779 /nfs/dbraw/zinc/11/27/79/187112779.db2.gz HMZYSSGJLYIUJX-SOUVJXGZSA-N 1 3 252.446 3.323 20 0 CGADHO COCc1ccccc1/C=C(/C)CN[C@H](C)CC[NH+](C)C ZINC000352285002 219393808 /nfs/dbraw/zinc/39/38/08/219393808.db2.gz CSTGZJBISUHVIO-RTYFKUQISA-N 1 3 290.451 3.166 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2c(Br)cccc21 ZINC000423308892 295892408 /nfs/dbraw/zinc/89/24/08/295892408.db2.gz PDLUIUSEXRJJBV-HZMBPMFUSA-N 1 3 297.240 3.011 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271897480 191396681 /nfs/dbraw/zinc/39/66/81/191396681.db2.gz UOGRDYIJCHTQGG-CQSZACIVSA-N 1 3 258.409 3.162 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271840933 191361778 /nfs/dbraw/zinc/36/17/78/191361778.db2.gz GRKLWLYZOYKVSA-HNNXBMFYSA-N 1 3 288.435 3.388 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000414170423 235352989 /nfs/dbraw/zinc/35/29/89/235352989.db2.gz BZEYJEOWXUNNDO-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170423 235352991 /nfs/dbraw/zinc/35/29/91/235352991.db2.gz BZEYJEOWXUNNDO-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO Clc1oc2ccccc2c1CNCC[C@H]1CC[NH2+]C1 ZINC000414835393 235478210 /nfs/dbraw/zinc/47/82/10/235478210.db2.gz RRNDCUYCWZIEGK-LLVKDONJSA-N 1 3 278.783 3.175 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000110644748 138363491 /nfs/dbraw/zinc/36/34/91/138363491.db2.gz MANDVAMHHLWNSY-NEPJUHHUSA-N 1 3 266.816 3.460 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000340526707 215622719 /nfs/dbraw/zinc/62/27/19/215622719.db2.gz QRLUGMSASHOZIE-XKQJLSEDSA-N 1 3 294.414 3.168 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(OCC(F)(F)F)cc1 ZINC000423289944 236025729 /nfs/dbraw/zinc/02/57/29/236025729.db2.gz YOVLPVZWSMYBIH-JTQLQIEISA-N 1 3 290.329 3.016 20 0 CGADHO Cc1nc(-c2cc([C@@H](C)NC[C@@H](C)C[NH3+])cs2)cs1 ZINC000423295824 236028604 /nfs/dbraw/zinc/02/86/04/236028604.db2.gz FVCJXZPFNSCPGQ-VHSXEESVSA-N 1 3 295.477 3.425 20 0 CGADHO NC1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCC1 ZINC000423319402 236037024 /nfs/dbraw/zinc/03/70/24/236037024.db2.gz FELRVVQADWMGCX-CQSZACIVSA-N 1 3 264.800 3.262 20 0 CGADHO COc1cccc2cc([C@@H](C)NCC3=CC[NH2+]CC3)oc21 ZINC000423337047 236043553 /nfs/dbraw/zinc/04/35/53/236043553.db2.gz HDXRSACJAXTUOC-GFCCVEGCSA-N 1 3 286.375 3.012 20 0 CGADHO Cc1c2ccccc2oc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423348819 236046442 /nfs/dbraw/zinc/04/64/42/236046442.db2.gz VDFSYYXSIPBLQE-ZDUSSCGKSA-N 1 3 270.376 3.312 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000423377797 236054774 /nfs/dbraw/zinc/05/47/74/236054774.db2.gz KJJZGRVELFXPFC-YVSFHVDLSA-N 1 3 287.451 3.146 20 0 CGADHO Cc1ccc(C[C@H](NCC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423377345 236055065 /nfs/dbraw/zinc/05/50/65/236055065.db2.gz YQJSHLJRRJARDA-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCN1 ZINC000423380466 236056906 /nfs/dbraw/zinc/05/69/06/236056906.db2.gz MRUWBOKNCHPHBX-BSWAZPDLSA-N 1 3 258.409 3.053 20 0 CGADHO c1cc(C[NH2+][C@H]2CCCC23CCCC3)cc2c1CNC2 ZINC000423406940 236066350 /nfs/dbraw/zinc/06/63/50/236066350.db2.gz ZMAJLECKDUQXRN-KRWDZBQOSA-N 1 3 270.420 3.492 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(F)c1F ZINC000423440870 236070972 /nfs/dbraw/zinc/07/09/72/236070972.db2.gz PALSDHWSWFRPOX-VZJVUDMVSA-N 1 3 280.362 3.004 20 0 CGADHO C[C@H]([NH3+])[C@H](C)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423460495 236075931 /nfs/dbraw/zinc/07/59/31/236075931.db2.gz IWPCHPYPODYPAS-RHYQMDGZSA-N 1 3 254.805 3.157 20 0 CGADHO c1c[nH]c([C@@H](NCCC[C@H]2CCC[NH2+]2)C2CCCCC2)n1 ZINC000423482682 236082656 /nfs/dbraw/zinc/08/26/56/236082656.db2.gz PNGQQOKANCETRY-CVEARBPZSA-N 1 3 290.455 3.153 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000423548564 236097632 /nfs/dbraw/zinc/09/76/32/236097632.db2.gz GSTUGIMHSSOLJG-WBVHZDCISA-N 1 3 287.451 3.148 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424332457 236151029 /nfs/dbraw/zinc/15/10/29/236151029.db2.gz WKMVWRQYADUFPE-RDGPPVDQSA-N 1 3 296.458 3.429 20 0 CGADHO CCOc1cccc([C@H](C)NC2CC[NH+](C3CC3)CC2)c1 ZINC000119679497 370698091 /nfs/dbraw/zinc/69/80/91/370698091.db2.gz XJPPRKXRFBDBTD-AWEZNQCLSA-N 1 3 288.435 3.363 20 0 CGADHO Cc1cc(F)c(CNCCCC[NH+](C)C)c(Cl)c1 ZINC000459392967 242096795 /nfs/dbraw/zinc/09/67/95/242096795.db2.gz UZXWPBXQUDNFBM-UHFFFAOYSA-N 1 3 272.795 3.219 20 0 CGADHO CCCc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000479452010 243105631 /nfs/dbraw/zinc/10/56/31/243105631.db2.gz HXLQEDILXIHIDP-RHSMWYFYSA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000479452010 243105636 /nfs/dbraw/zinc/10/56/36/243105636.db2.gz HXLQEDILXIHIDP-RHSMWYFYSA-N 1 3 260.425 3.211 20 0 CGADHO C(CC1CCCC1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000483235260 243267627 /nfs/dbraw/zinc/26/76/27/243267627.db2.gz KZXKAKKDBHEQDK-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCCC1)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000483235260 243267632 /nfs/dbraw/zinc/26/76/32/243267632.db2.gz KZXKAKKDBHEQDK-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCCC1)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000483235260 243267637 /nfs/dbraw/zinc/26/76/37/243267637.db2.gz KZXKAKKDBHEQDK-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000484466350 243312712 /nfs/dbraw/zinc/31/27/12/243312712.db2.gz KJQAAOZEWGPFRL-XFIYOXNOSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@@H]1CC1(C)C ZINC000486939675 243381549 /nfs/dbraw/zinc/38/15/49/243381549.db2.gz QOLZORDIHVKZQI-CJNGLKHVSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CC1(C)C ZINC000486973715 243389732 /nfs/dbraw/zinc/38/97/32/243389732.db2.gz WASGEZSENNXZCQ-WMLDXEAASA-N 1 3 290.451 3.151 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CC1(C)C ZINC000486974539 243390223 /nfs/dbraw/zinc/39/02/23/243390223.db2.gz XOPIQSUPPJVSGS-YOEHRIQHSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CNC1 ZINC000423168952 299395047 /nfs/dbraw/zinc/39/50/47/299395047.db2.gz VNDJHNSERQMFHM-DETPVDSQSA-N 1 3 278.827 3.174 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000037644263 369095786 /nfs/dbraw/zinc/09/57/86/369095786.db2.gz NXEGCARUFVFBSK-NWDGAFQWSA-N 1 3 284.806 3.472 20 0 CGADHO Cc1cc(C[NH2+]C[C@H](C)CN2CCCCC2)cc(C)c1O ZINC000037997542 369136282 /nfs/dbraw/zinc/13/62/82/369136282.db2.gz YTDNATFWCXDKEN-AWEZNQCLSA-N 1 3 290.451 3.221 20 0 CGADHO C[NH+](C)CC(C)(C)CNc1ccnc2ccccc21 ZINC000041720291 369196756 /nfs/dbraw/zinc/19/67/56/369196756.db2.gz JGZLKFPVJBOQOY-UHFFFAOYSA-N 1 3 257.381 3.235 20 0 CGADHO C[C@H](C[NH2+]C1CC(c2ccccc2F)C1)CN1CCCC1 ZINC000062078474 369619435 /nfs/dbraw/zinc/61/94/35/369619435.db2.gz IWRQMXOUGRWVBA-QQFBHYJXSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@H](CNC1CC(c2ccccc2F)C1)C[NH+]1CCCC1 ZINC000062078474 369619439 /nfs/dbraw/zinc/61/94/39/369619439.db2.gz IWRQMXOUGRWVBA-QQFBHYJXSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169594 369786624 /nfs/dbraw/zinc/78/66/24/369786624.db2.gz JXYJWVRPGMRXJU-NWDGAFQWSA-N 1 3 268.351 3.087 20 0 CGADHO Cc1ccc(C)c(OCCCN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173845 369786996 /nfs/dbraw/zinc/78/69/96/369786996.db2.gz QGCBBELWFPJINO-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000090725588 370068650 /nfs/dbraw/zinc/06/86/50/370068650.db2.gz WGCCDRJHPYJYIY-KBPBESRZSA-N 1 3 296.480 3.029 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000104137745 370338742 /nfs/dbraw/zinc/33/87/42/370338742.db2.gz CYFFOXUKCMYFFU-NEPJUHHUSA-N 1 3 266.816 3.460 20 0 CGADHO CC[NH2+]CC1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000129980565 371008820 /nfs/dbraw/zinc/00/88/20/371008820.db2.gz WLQWXPAYRLCZOL-UHFFFAOYSA-N 1 3 296.842 3.040 20 0 CGADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000130883971 371066320 /nfs/dbraw/zinc/06/63/20/371066320.db2.gz UMVMHLVYUYCSQZ-GJZGRUSLSA-N 1 3 268.404 3.490 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCNC1)c1cccc2ccccc21 ZINC000130883971 371066325 /nfs/dbraw/zinc/06/63/25/371066325.db2.gz UMVMHLVYUYCSQZ-GJZGRUSLSA-N 1 3 268.404 3.490 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851128 376205265 /nfs/dbraw/zinc/20/52/65/376205265.db2.gz IKPGJEHVQWKSLA-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851128 376205270 /nfs/dbraw/zinc/20/52/70/376205270.db2.gz IKPGJEHVQWKSLA-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851129 376205424 /nfs/dbraw/zinc/20/54/24/376205424.db2.gz IKPGJEHVQWKSLA-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851129 376205425 /nfs/dbraw/zinc/20/54/25/376205425.db2.gz IKPGJEHVQWKSLA-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)[C@@H](CN[C@@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134136984 371305973 /nfs/dbraw/zinc/30/59/73/371305973.db2.gz VIYPOVHUTYFECD-MAUKXSAKSA-N 1 3 292.442 3.467 20 0 CGADHO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)c1 ZINC000148344496 371521927 /nfs/dbraw/zinc/52/19/27/371521927.db2.gz AJGRHHOFVPQWBO-HOCLYGCPSA-N 1 3 276.424 3.220 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750846 371535973 /nfs/dbraw/zinc/53/59/73/371535973.db2.gz IDEXSBBIKMEHRC-APWZRJJASA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150750846 371535983 /nfs/dbraw/zinc/53/59/83/371535983.db2.gz IDEXSBBIKMEHRC-APWZRJJASA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150750846 371535987 /nfs/dbraw/zinc/53/59/87/371535987.db2.gz IDEXSBBIKMEHRC-APWZRJJASA-N 1 3 284.447 3.482 20 0 CGADHO CCCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151030146 371560506 /nfs/dbraw/zinc/56/05/06/371560506.db2.gz SRLABNISXALSLQ-CQSZACIVSA-N 1 3 264.413 3.078 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559378 371613905 /nfs/dbraw/zinc/61/39/05/371613905.db2.gz ASSAGBNZAPFWEE-GZBFAFLISA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559378 371613906 /nfs/dbraw/zinc/61/39/06/371613906.db2.gz ASSAGBNZAPFWEE-GZBFAFLISA-N 1 3 296.842 3.180 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(C2CC2)c1 ZINC000422557966 371749567 /nfs/dbraw/zinc/74/95/67/371749567.db2.gz XQDVQTDOYMBQBP-SJORKVTESA-N 1 3 258.409 3.171 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc2cccnc12 ZINC000422558548 371749617 /nfs/dbraw/zinc/74/96/17/371749617.db2.gz BDETVWCTTAKELZ-YEWWUXTCSA-N 1 3 297.446 3.348 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000422706730 371762277 /nfs/dbraw/zinc/76/22/77/371762277.db2.gz FSMQJPLCLDADPY-WMLDXEAASA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H](C)C1CNC1 ZINC000422706730 371762282 /nfs/dbraw/zinc/76/22/82/371762282.db2.gz FSMQJPLCLDADPY-WMLDXEAASA-N 1 3 260.425 3.280 20 0 CGADHO C(CC[NH2+][C@@H]1CCCNCC1)CCOC1CCCCC1 ZINC000422711293 371763879 /nfs/dbraw/zinc/76/38/79/371763879.db2.gz MMTYAZYTUYXGSU-MRXNPFEDSA-N 1 3 282.472 3.238 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422720501 371768045 /nfs/dbraw/zinc/76/80/45/371768045.db2.gz SMNPVDXRKKPEBP-ZMSDIMECSA-N 1 3 260.425 3.158 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@H](C)C[C@@H](C)[NH3+])c1C ZINC000422732585 371771671 /nfs/dbraw/zinc/77/16/71/371771671.db2.gz AAOYIJHBQSAGFS-VXGBXAGGSA-N 1 3 273.424 3.309 20 0 CGADHO COc1ccc(CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422731043 371772058 /nfs/dbraw/zinc/77/20/58/371772058.db2.gz GIYCANXDMRHJAX-RTBURBONSA-N 1 3 296.414 3.362 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000422745194 371780579 /nfs/dbraw/zinc/78/05/79/371780579.db2.gz XGRGQQOUPFEVLQ-ZNMIVQPWSA-N 1 3 292.467 3.467 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422748572 371783040 /nfs/dbraw/zinc/78/30/40/371783040.db2.gz VDZDBRPYHJQHCR-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)c1 ZINC000422748572 371783043 /nfs/dbraw/zinc/78/30/43/371783043.db2.gz VDZDBRPYHJQHCR-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000422759908 371790661 /nfs/dbraw/zinc/79/06/61/371790661.db2.gz KNFGGXGAXFVAEX-INMHGKMJSA-N 1 3 260.425 3.076 20 0 CGADHO Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCC[C@H]1N ZINC000422822604 371829654 /nfs/dbraw/zinc/82/96/54/371829654.db2.gz KFQXYNYNCUUUSX-KGLIPLIRSA-N 1 3 297.240 3.035 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000422833973 371833353 /nfs/dbraw/zinc/83/33/53/371833353.db2.gz ZGUGCVABUNVMDJ-XYPWUTKMSA-N 1 3 292.854 3.490 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766071 371794806 /nfs/dbraw/zinc/79/48/06/371794806.db2.gz RKUNWXVTRXIJNR-ZIAGYGMSSA-N 1 3 297.240 3.199 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422780648 371804109 /nfs/dbraw/zinc/80/41/09/371804109.db2.gz JQVKZIZVADONHA-DJIMGWMZSA-N 1 3 260.425 3.206 20 0 CGADHO COc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)c1 ZINC000422784971 371806039 /nfs/dbraw/zinc/80/60/39/371806039.db2.gz JDDVSNJFMBVSTK-RTBURBONSA-N 1 3 296.414 3.332 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000422790646 371811161 /nfs/dbraw/zinc/81/11/61/371811161.db2.gz PPLMTKKXLWKUQS-GVRJEKJASA-N 1 3 250.430 3.062 20 0 CGADHO Cc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000422795455 371813109 /nfs/dbraw/zinc/81/31/09/371813109.db2.gz VPAIBDVJKOQLBQ-CCKFTAQKSA-N 1 3 296.414 3.497 20 0 CGADHO Cc1ccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422799342 371814749 /nfs/dbraw/zinc/81/47/49/371814749.db2.gz WGFVOUYKIBPDTF-GFCCVEGCSA-N 1 3 287.382 3.147 20 0 CGADHO CC[C@H](N[C@H](C)CCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805685 371821386 /nfs/dbraw/zinc/82/13/86/371821386.db2.gz HBSNAKGMDSIXPJ-BDAKNGLRSA-N 1 3 295.374 3.330 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000422869483 371846819 /nfs/dbraw/zinc/84/68/19/371846819.db2.gz AGYQGQLKBYRNSM-CZUORRHYSA-N 1 3 275.440 3.468 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882842 371850972 /nfs/dbraw/zinc/85/09/72/371850972.db2.gz BDBYSSBHOVXUAI-YOEHRIQHSA-N 1 3 285.435 3.208 20 0 CGADHO C[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)C1CNC1 ZINC000422888097 371855923 /nfs/dbraw/zinc/85/59/23/371855923.db2.gz MACFRCCAAYNBLI-UQPPLGOBSA-N 1 3 272.436 3.158 20 0 CGADHO CCc1nc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000422898015 371859334 /nfs/dbraw/zinc/85/93/34/371859334.db2.gz DHKHJESOYYAAQS-KBPBESRZSA-N 1 3 295.496 3.148 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954208 371861810 /nfs/dbraw/zinc/86/18/10/371861810.db2.gz ICDUKEHSFBMILO-RDJZCZTQSA-N 1 3 290.451 3.171 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954208 371861816 /nfs/dbraw/zinc/86/18/16/371861816.db2.gz ICDUKEHSFBMILO-RDJZCZTQSA-N 1 3 290.451 3.171 20 0 CGADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000422916937 371867327 /nfs/dbraw/zinc/86/73/27/371867327.db2.gz BZAUBASQMKRFSB-VBNZEHGJSA-N 1 3 296.842 3.005 20 0 CGADHO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422917016 371867515 /nfs/dbraw/zinc/86/75/15/371867515.db2.gz FFZSLOSNIKTWCZ-RWMBFGLXSA-N 1 3 263.429 3.324 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1cccc(Cl)c1 ZINC000422919136 371869330 /nfs/dbraw/zinc/86/93/30/371869330.db2.gz JNEQQEQNGWLMSX-XJKCOSOUSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422919136 371869339 /nfs/dbraw/zinc/86/93/39/371869339.db2.gz JNEQQEQNGWLMSX-XJKCOSOUSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1csc2ccccc12 ZINC000422936014 371879918 /nfs/dbraw/zinc/87/99/18/371879918.db2.gz LSRYTZGCOOAXNL-NWDGAFQWSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1csc2ccccc12 ZINC000422936014 371879922 /nfs/dbraw/zinc/87/99/22/371879922.db2.gz LSRYTZGCOOAXNL-NWDGAFQWSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1cccc2ccccc21 ZINC000422940797 371881681 /nfs/dbraw/zinc/88/16/81/371881681.db2.gz JBZDJIJASBIRMZ-QAPCUYQASA-N 1 3 298.430 3.196 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423053061 371938210 /nfs/dbraw/zinc/93/82/10/371938210.db2.gz RYEGACUHDFUCJL-SUMWQHHRSA-N 1 3 286.419 3.261 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423053061 371938217 /nfs/dbraw/zinc/93/82/17/371938217.db2.gz RYEGACUHDFUCJL-SUMWQHHRSA-N 1 3 286.419 3.261 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1)C1CNC1 ZINC000423058003 371939768 /nfs/dbraw/zinc/93/97/68/371939768.db2.gz BGVVKZHFNKCXED-CFVMTHIKSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@@H]3CCCC[C@@H]3CN)cn(C)c2c1 ZINC000423057914 371939885 /nfs/dbraw/zinc/93/98/85/371939885.db2.gz ILSDWIFRARNXLB-CRAIPNDOSA-N 1 3 299.462 3.136 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422983225 371901301 /nfs/dbraw/zinc/90/13/01/371901301.db2.gz YZOCITKKFIQPRK-CVEARBPZSA-N 1 3 276.424 3.052 20 0 CGADHO CC(C)[C@@H]1C[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000422987807 371903904 /nfs/dbraw/zinc/90/39/04/371903904.db2.gz JGJNBMXUVWBKKJ-TWMKSMIVSA-N 1 3 282.472 3.090 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC1CC[NH2+]CC1 ZINC000422991318 371905427 /nfs/dbraw/zinc/90/54/27/371905427.db2.gz AXMUDZCTBIYCDS-FUHWJXTLSA-N 1 3 288.435 3.027 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000422991318 371905435 /nfs/dbraw/zinc/90/54/35/371905435.db2.gz AXMUDZCTBIYCDS-FUHWJXTLSA-N 1 3 288.435 3.027 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422998777 371908753 /nfs/dbraw/zinc/90/87/53/371908753.db2.gz DHTLJSAQZIMSSH-IXDOHACOSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000423000684 371910682 /nfs/dbraw/zinc/91/06/82/371910682.db2.gz HDFVZFHUGYXICS-JKIFEVAISA-N 1 3 258.409 3.357 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@H]2CCNCC[C@@H]2C)c(C)c1 ZINC000423007662 371912994 /nfs/dbraw/zinc/91/29/94/371912994.db2.gz YFGPUHWRZKKMES-KSSFIOAISA-N 1 3 274.452 3.132 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092387 371959181 /nfs/dbraw/zinc/95/91/81/371959181.db2.gz BSRPOFWEYQHFAG-DZUCGIPZSA-N 1 3 276.399 3.321 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423092007 371959215 /nfs/dbraw/zinc/95/92/15/371959215.db2.gz ADAFHYARNZDCIR-VMUDFCTBSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095611 371961732 /nfs/dbraw/zinc/96/17/32/371961732.db2.gz FSPPSSJLNOKDFN-WPMGSTCASA-N 1 3 284.806 3.441 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095611 371961737 /nfs/dbraw/zinc/96/17/37/371961737.db2.gz FSPPSSJLNOKDFN-WPMGSTCASA-N 1 3 284.806 3.441 20 0 CGADHO c1cc2cc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423098735 371963298 /nfs/dbraw/zinc/96/32/98/371963298.db2.gz LCQNGDCMGIHJBD-QXAKKESOSA-N 1 3 297.446 3.221 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423099756 371963513 /nfs/dbraw/zinc/96/35/13/371963513.db2.gz UGNCYCJBCJAQGF-ZPUIDXCVSA-N 1 3 294.389 3.318 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101989 371964967 /nfs/dbraw/zinc/96/49/67/371964967.db2.gz WTISKHJJBVGYHO-OTRWWLKZSA-N 1 3 276.399 3.179 20 0 CGADHO COCC[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423102832 371965800 /nfs/dbraw/zinc/96/58/00/371965800.db2.gz ABCARTGGKHGWAJ-PMPSAXMXSA-N 1 3 276.424 3.172 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H](c2ccccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000423105638 371969490 /nfs/dbraw/zinc/96/94/90/371969490.db2.gz ZCHAGSNUTMLNDQ-LJISPDSOSA-N 1 3 276.399 3.049 20 0 CGADHO Cc1cc2cc(C[NH2+][C@@H]3CCCCC[C@H]3N)ccc2[nH]1 ZINC000423116141 371975017 /nfs/dbraw/zinc/97/50/17/371975017.db2.gz ZQOXFPLEJVPWGA-NVXWUHKLSA-N 1 3 271.408 3.226 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423123361 371976059 /nfs/dbraw/zinc/97/60/59/371976059.db2.gz MMNAGENLFNSPRE-OBJOEFQTSA-N 1 3 288.357 3.123 20 0 CGADHO C[C@@H]1C[C@@H](CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000423117951 371977270 /nfs/dbraw/zinc/97/72/70/371977270.db2.gz XXAZDXLPWQQVBF-KGZKIYMESA-N 1 3 288.435 3.315 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000423129118 371980075 /nfs/dbraw/zinc/98/00/75/371980075.db2.gz DQZPCGFYNSUYHX-DNOWBOINSA-N 1 3 275.440 3.324 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423130396 371982536 /nfs/dbraw/zinc/98/25/36/371982536.db2.gz SCNKZURMGUIATQ-YESZJQIVSA-N 1 3 296.499 3.340 20 0 CGADHO COCC(C)(C)CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423131461 371982832 /nfs/dbraw/zinc/98/28/32/371982832.db2.gz SXKZIEBJZCVMDQ-CVEARBPZSA-N 1 3 276.424 3.174 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCCc2sc(Cl)cc21 ZINC000423137016 371986615 /nfs/dbraw/zinc/98/66/15/371986615.db2.gz VUKPIXQDQWHAQY-DLOVCJGASA-N 1 3 284.856 3.496 20 0 CGADHO Cc1ccc(F)c(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000423148219 371992303 /nfs/dbraw/zinc/99/23/03/371992303.db2.gz FJRYQHISUGVFHW-MSOLQXFVSA-N 1 3 284.378 3.411 20 0 CGADHO COc1cccc([C@H]2C[C@H](N[C@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000423149983 371992596 /nfs/dbraw/zinc/99/25/96/371992596.db2.gz BIGIBUHMJRAOPQ-LAQRGFTBSA-N 1 3 288.435 3.191 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CNC1 ZINC000423168955 372000206 /nfs/dbraw/zinc/00/02/06/372000206.db2.gz VNDJHNSERQMFHM-RBOXIYTFSA-N 1 3 278.827 3.174 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC1(Cc2cccc(Cl)c2)CC1 ZINC000423168495 372000532 /nfs/dbraw/zinc/00/05/32/372000532.db2.gz YCUYTGJMDUPWHM-NWDGAFQWSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000423168495 372000538 /nfs/dbraw/zinc/00/05/38/372000538.db2.gz YCUYTGJMDUPWHM-NWDGAFQWSA-N 1 3 266.816 3.131 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)Cc1ccccc1 ZINC000423069756 371945411 /nfs/dbraw/zinc/94/54/11/371945411.db2.gz LZSMBQFELPXLCW-NEWSRXKRSA-N 1 3 288.479 3.479 20 0 CGADHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423088602 371955891 /nfs/dbraw/zinc/95/58/91/371955891.db2.gz SJARXKNVVBIRHO-GDBMZVCRSA-N 1 3 285.435 3.094 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000423090097 371956239 /nfs/dbraw/zinc/95/62/39/371956239.db2.gz WVNQQFGYDCAVEP-AFAVFJNCSA-N 1 3 276.399 3.181 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NC1CC[NH2+]CC1 ZINC000423188259 372015779 /nfs/dbraw/zinc/01/57/79/372015779.db2.gz PXZKFVGUJUGURQ-NEPJUHHUSA-N 1 3 289.448 3.130 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCNCC1 ZINC000423188259 372015785 /nfs/dbraw/zinc/01/57/85/372015785.db2.gz PXZKFVGUJUGURQ-NEPJUHHUSA-N 1 3 289.448 3.130 20 0 CGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423210902 372032878 /nfs/dbraw/zinc/03/28/78/372032878.db2.gz GQXIVNCGGARBGQ-PVAVHDDUSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)c1cccc(C)c1 ZINC000423210902 372032880 /nfs/dbraw/zinc/03/28/80/372032880.db2.gz GQXIVNCGGARBGQ-PVAVHDDUSA-N 1 3 260.425 3.424 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1C(C)(C)C1(C)C ZINC000423216502 372035417 /nfs/dbraw/zinc/03/54/17/372035417.db2.gz OPFSEJCCZJZCRG-XQQFMLRXSA-N 1 3 252.446 3.035 20 0 CGADHO CCOc1ccccc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423284809 372048041 /nfs/dbraw/zinc/04/80/41/372048041.db2.gz YOAACYAGQAFXDM-DZKIICNBSA-N 1 3 276.424 3.253 20 0 CGADHO N[C@@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311586 372050232 /nfs/dbraw/zinc/05/02/32/372050232.db2.gz CBIMUFKJRNJYHN-JKSUJKDBSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(-c2cccs2)cc1 ZINC000423174341 372005302 /nfs/dbraw/zinc/00/53/02/372005302.db2.gz AKUFVYFQHJZRCU-GFCCVEGCSA-N 1 3 260.406 3.415 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)c1cccnc1 ZINC000423182426 372011068 /nfs/dbraw/zinc/01/10/68/372011068.db2.gz LTMPCNRAQVWDBL-WBVHZDCISA-N 1 3 289.467 3.260 20 0 CGADHO C[C@H]([NH3+])[C@H](C)N[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000423453043 372065360 /nfs/dbraw/zinc/06/53/60/372065360.db2.gz XCEBAVFOUPRZEJ-MEDZGJRSSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423521688 372070397 /nfs/dbraw/zinc/07/03/97/372070397.db2.gz GMDJQGCAIWGTDI-SDEQNOSCSA-N 1 3 276.468 3.308 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000424378495 372085698 /nfs/dbraw/zinc/08/56/98/372085698.db2.gz SUIKVWIKWWMXET-MGPQQGTHSA-N 1 3 262.422 3.083 20 0 CGADHO CSc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000292907246 372244227 /nfs/dbraw/zinc/24/42/27/372244227.db2.gz HARRHTGGSHNSDD-KRWDZBQOSA-N 1 3 290.476 3.326 20 0 CGADHO CSc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000292907246 372244233 /nfs/dbraw/zinc/24/42/33/372244233.db2.gz HARRHTGGSHNSDD-KRWDZBQOSA-N 1 3 290.476 3.326 20 0 CGADHO Cc1cccc(C[N@@H+](C)CC[C@H]2CCCN2C)c1C ZINC000428716137 372255013 /nfs/dbraw/zinc/25/50/13/372255013.db2.gz HTNKGMXPZKWASU-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C[N@H+](C)CC[C@H]2CCCN2C)c1C ZINC000428716137 372255017 /nfs/dbraw/zinc/25/50/17/372255017.db2.gz HTNKGMXPZKWASU-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO CC(C)CCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000429048741 372309673 /nfs/dbraw/zinc/30/96/73/372309673.db2.gz NTZUJUIFZUGFKJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000429048741 372309678 /nfs/dbraw/zinc/30/96/78/372309678.db2.gz NTZUJUIFZUGFKJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000429048741 372309681 /nfs/dbraw/zinc/30/96/81/372309681.db2.gz NTZUJUIFZUGFKJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000429048741 372309687 /nfs/dbraw/zinc/30/96/87/372309687.db2.gz NTZUJUIFZUGFKJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163194842 372453779 /nfs/dbraw/zinc/45/37/79/372453779.db2.gz ZPYWBCFGIIIWJR-UKRRQHHQSA-N 1 3 260.425 3.153 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2csc3ccccc23)C1 ZINC000163234061 372456366 /nfs/dbraw/zinc/45/63/66/372456366.db2.gz JTVWMZZQXRSGSX-NEPJUHHUSA-N 1 3 260.406 3.070 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377307 372572822 /nfs/dbraw/zinc/57/28/22/372572822.db2.gz QQDWQEPOKLSAGF-HLLBOEOZSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377307 372572831 /nfs/dbraw/zinc/57/28/31/372572831.db2.gz QQDWQEPOKLSAGF-HLLBOEOZSA-N 1 3 298.434 3.006 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000166483514 372574872 /nfs/dbraw/zinc/57/48/72/372574872.db2.gz MPBFXTPFERWBAP-IAGOWNOFSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000166483514 372574877 /nfs/dbraw/zinc/57/48/77/372574877.db2.gz MPBFXTPFERWBAP-IAGOWNOFSA-N 1 3 297.446 3.235 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640489 372578377 /nfs/dbraw/zinc/57/83/77/372578377.db2.gz HAGCZVDFBPOYSR-KCXAZCMYSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640489 372578384 /nfs/dbraw/zinc/57/83/84/372578384.db2.gz HAGCZVDFBPOYSR-KCXAZCMYSA-N 1 3 264.388 3.349 20 0 CGADHO CC(C)COc1cccc(C[N@H+](C)C[C@H]2CCN(C)C2)c1 ZINC000434176579 372660838 /nfs/dbraw/zinc/66/08/38/372660838.db2.gz FZJIJEWLBMYDFE-KRWDZBQOSA-N 1 3 290.451 3.105 20 0 CGADHO CC(C)COc1cccc(C[N@@H+](C)C[C@H]2CCN(C)C2)c1 ZINC000434176579 372660843 /nfs/dbraw/zinc/66/08/43/372660843.db2.gz FZJIJEWLBMYDFE-KRWDZBQOSA-N 1 3 290.451 3.105 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCOc1cccc2ccccc21 ZINC000442766999 373075777 /nfs/dbraw/zinc/07/57/77/373075777.db2.gz PNJMNZWMBGKIFE-HZPDHXFCSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCOc1cccc2ccccc21 ZINC000442766999 373075784 /nfs/dbraw/zinc/07/57/84/373075784.db2.gz PNJMNZWMBGKIFE-HZPDHXFCSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442766999 373075791 /nfs/dbraw/zinc/07/57/91/373075791.db2.gz PNJMNZWMBGKIFE-HZPDHXFCSA-N 1 3 298.430 3.278 20 0 CGADHO Cc1ccc(SCCN2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442787075 373082599 /nfs/dbraw/zinc/08/25/99/373082599.db2.gz HELNFLPQGRYPEN-LSDHHAIUSA-N 1 3 278.465 3.065 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCc1ccc2ccccc2c1 ZINC000442759983 373072353 /nfs/dbraw/zinc/07/23/53/373072353.db2.gz MMTBBPCMXAAPBK-HOCLYGCPSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759983 373072358 /nfs/dbraw/zinc/07/23/58/373072358.db2.gz MMTBBPCMXAAPBK-HOCLYGCPSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1ccc2ccccc2c1 ZINC000442759983 373072367 /nfs/dbraw/zinc/07/23/67/373072367.db2.gz MMTBBPCMXAAPBK-HOCLYGCPSA-N 1 3 268.404 3.051 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000442918085 373128706 /nfs/dbraw/zinc/12/87/06/373128706.db2.gz FSBJUXVFIVCQCI-OHVSUOQFSA-N 1 3 280.362 3.039 20 0 CGADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296458367 373141156 /nfs/dbraw/zinc/14/11/56/373141156.db2.gz NCBAASGWWMRHKP-QCCXBYOVSA-N 1 3 270.420 3.450 20 0 CGADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458367 373141160 /nfs/dbraw/zinc/14/11/60/373141160.db2.gz NCBAASGWWMRHKP-QCCXBYOVSA-N 1 3 270.420 3.450 20 0 CGADHO C[C@H]1CCN(CCC[NH+]2CCCCC2)CC1(C)C ZINC000444646245 373219849 /nfs/dbraw/zinc/21/98/49/373219849.db2.gz RQBVCHDVOTZYJG-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO Fc1ccc(C2([NH2+]CCCN3CCCCC3)CC2)cc1 ZINC000444570253 373202202 /nfs/dbraw/zinc/20/22/02/373202202.db2.gz OGGPVQSDJJTZCF-UHFFFAOYSA-N 1 3 276.399 3.280 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000344909178 217352904 /nfs/dbraw/zinc/35/29/04/217352904.db2.gz ZRCKCYJZSYKAOG-CQSZACIVSA-N 1 3 272.392 3.062 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCCC2)s1 ZINC000178411859 373775012 /nfs/dbraw/zinc/77/50/12/373775012.db2.gz LFXLIGBPGGWMHI-GFCCVEGCSA-N 1 3 281.469 3.150 20 0 CGADHO c1ccc2c(c1)OCCC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000178410886 373775088 /nfs/dbraw/zinc/77/50/88/373775088.db2.gz USYBSIMEUUMSCK-QGZVFWFLSA-N 1 3 288.435 3.366 20 0 CGADHO CO[C@@H]([C@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000449629618 373836152 /nfs/dbraw/zinc/83/61/52/373836152.db2.gz LBEHPOHIFIUAFN-KSSFIOAISA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]([C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000449629618 373836157 /nfs/dbraw/zinc/83/61/57/373836157.db2.gz LBEHPOHIFIUAFN-KSSFIOAISA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000449499045 373796480 /nfs/dbraw/zinc/79/64/80/373796480.db2.gz SNQUOEYDNVENFK-LBPRGKRZSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCC2(F)F)CC1 ZINC000449499045 373796482 /nfs/dbraw/zinc/79/64/82/373796482.db2.gz SNQUOEYDNVENFK-LBPRGKRZSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)([NH2+]CCCN1CCCC1)c1cccc(F)c1 ZINC000179574323 373890626 /nfs/dbraw/zinc/89/06/26/373890626.db2.gz DTHXSFLUZFABOI-UHFFFAOYSA-N 1 3 264.388 3.136 20 0 CGADHO CC(C)C[C@H](C)CN1CCC([NH2+]CC2CC2)CC1 ZINC000302301797 373850014 /nfs/dbraw/zinc/85/00/14/373850014.db2.gz HINBUFZUVMZFGD-AWEZNQCLSA-N 1 3 252.446 3.133 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000449741561 373871063 /nfs/dbraw/zinc/87/10/63/373871063.db2.gz KXOKAKPJZXGZPQ-YJBOKZPZSA-N 1 3 276.468 3.419 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180881106 374054517 /nfs/dbraw/zinc/05/45/17/374054517.db2.gz OKDXGDVSLKTFBZ-CYBMUJFWSA-N 1 3 282.378 3.274 20 0 CGADHO C[C@@H](NCc1ccn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309748481 374194148 /nfs/dbraw/zinc/19/41/48/374194148.db2.gz YQISBGBCXQMUHD-VQIMIIECSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H](NCc1ccn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748481 374194156 /nfs/dbraw/zinc/19/41/56/374194156.db2.gz YQISBGBCXQMUHD-VQIMIIECSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H]([NH2+]Cc1ccn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309748481 374194161 /nfs/dbraw/zinc/19/41/61/374194161.db2.gz YQISBGBCXQMUHD-VQIMIIECSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CN(C)C ZINC000310916530 374229680 /nfs/dbraw/zinc/22/96/80/374229680.db2.gz ZFXBLSOWQRVTLF-QWRGUYRKSA-N 1 3 272.795 3.327 20 0 CGADHO CC[C@H](C)[C@H](C)NCC1(C[NH2+][C@@H](C)[C@@H](C)CC)COC1 ZINC000183064236 374366400 /nfs/dbraw/zinc/36/64/00/374366400.db2.gz XLUGZRQRZGWLSR-VGWMRTNUSA-N 1 3 284.488 3.051 20 0 CGADHO CC(C)n1cc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cn1 ZINC000183953706 374478196 /nfs/dbraw/zinc/47/81/96/374478196.db2.gz RVDYWZDYGAIKOT-OAHLLOKOSA-N 1 3 292.471 3.237 20 0 CGADHO C[C@@H](CC[NH2+]C(C1CC1)C1CC1)N1CCCCC1 ZINC000184497811 374531916 /nfs/dbraw/zinc/53/19/16/374531916.db2.gz WHQBYZFXFYXFSS-ZDUSSCGKSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000090228100 541958122 /nfs/dbraw/zinc/95/81/22/541958122.db2.gz NYUPDJRHPQVZHA-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090228100 541958124 /nfs/dbraw/zinc/95/81/24/541958124.db2.gz NYUPDJRHPQVZHA-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090228100 541958129 /nfs/dbraw/zinc/95/81/29/541958129.db2.gz NYUPDJRHPQVZHA-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000331835646 374548531 /nfs/dbraw/zinc/54/85/31/374548531.db2.gz RUNPFULTTLTKEG-SGMGOOAPSA-N 1 3 262.397 3.153 20 0 CGADHO c1ccc(CC2([NH2+]C[C@@H]3CCCNC3)CCCC2)cc1 ZINC000469986433 374994090 /nfs/dbraw/zinc/99/40/90/374994090.db2.gz ZIYVSOQXSSVOLL-QGZVFWFLSA-N 1 3 272.436 3.131 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)CN(C)C ZINC000491589235 375335208 /nfs/dbraw/zinc/33/52/08/375335208.db2.gz PCULMVHGLLUPSA-DJIMGWMZSA-N 1 3 260.425 3.110 20 0 CGADHO CN(Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000123899137 542029867 /nfs/dbraw/zinc/02/98/67/542029867.db2.gz OKNVODRVWPIFKU-UHFFFAOYSA-N 1 3 272.417 3.026 20 0 CGADHO FC1(F)CC[C@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000336187630 375755286 /nfs/dbraw/zinc/75/52/86/375755286.db2.gz NCKDXAOMMBEFEH-LSDHHAIUSA-N 1 3 286.410 3.372 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)CN1CCCC1 ZINC000192698613 375780480 /nfs/dbraw/zinc/78/04/80/375780480.db2.gz YYRIYRVTQRZXRZ-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000129199814 542054344 /nfs/dbraw/zinc/05/43/44/542054344.db2.gz VIGLRQUCYCSZJS-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO C[NH+](C)CC1CCN(c2ccnc3ccccc32)CC1 ZINC000336400260 375789963 /nfs/dbraw/zinc/78/99/63/375789963.db2.gz WMOUMRXFBHUQBE-UHFFFAOYSA-N 1 3 269.392 3.013 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000131369288 542070254 /nfs/dbraw/zinc/07/02/54/542070254.db2.gz STTWAAKSLLRSKK-AEFFLSMTSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946482 376136611 /nfs/dbraw/zinc/13/66/11/376136611.db2.gz GFNUYTHTQUAAFU-KSSFIOAISA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946482 376136614 /nfs/dbraw/zinc/13/66/14/376136614.db2.gz GFNUYTHTQUAAFU-KSSFIOAISA-N 1 3 272.436 3.343 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000536853030 376137357 /nfs/dbraw/zinc/13/73/57/376137357.db2.gz TXKNUQNCJIKSSH-CJNGLKHVSA-N 1 3 292.492 3.447 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000536853030 376137362 /nfs/dbraw/zinc/13/73/62/376137362.db2.gz TXKNUQNCJIKSSH-CJNGLKHVSA-N 1 3 292.492 3.447 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536858662 376137950 /nfs/dbraw/zinc/13/79/50/376137950.db2.gz RFUZFOIFFXTOJA-TWMKSMIVSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646962 376189013 /nfs/dbraw/zinc/18/90/13/376189013.db2.gz DYLAHCJPSCYHKF-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646962 376189016 /nfs/dbraw/zinc/18/90/16/376189016.db2.gz DYLAHCJPSCYHKF-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO COCC[C@H]1CCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000337412200 376220266 /nfs/dbraw/zinc/22/02/66/376220266.db2.gz WQZZTYBENDLCML-HIFRSBDPSA-N 1 3 282.472 3.090 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000221922983 376224130 /nfs/dbraw/zinc/22/41/30/376224130.db2.gz NQYZOFQTPZRAEU-CVEARBPZSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000222661698 376241357 /nfs/dbraw/zinc/24/13/57/376241357.db2.gz VXDVRDQVVSTMGD-WCFLWFBJSA-N 1 3 252.427 3.190 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000222661698 376241365 /nfs/dbraw/zinc/24/13/65/376241365.db2.gz VXDVRDQVVSTMGD-WCFLWFBJSA-N 1 3 252.427 3.190 20 0 CGADHO CCCC[C@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539073691 376291992 /nfs/dbraw/zinc/29/19/92/376291992.db2.gz WYRIRVBWOWVFCW-BBWFWOEESA-N 1 3 284.488 3.434 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNc2ccnc3ccccc32)C1 ZINC000227666154 376403387 /nfs/dbraw/zinc/40/33/87/376403387.db2.gz XCBUXIWTIZDLSY-STQMWFEESA-N 1 3 255.365 3.164 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000540505198 376377491 /nfs/dbraw/zinc/37/74/91/376377491.db2.gz VPJLSWOEXRKUDY-HOCLYGCPSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000540505198 376377497 /nfs/dbraw/zinc/37/74/97/376377497.db2.gz VPJLSWOEXRKUDY-HOCLYGCPSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000540505198 376377503 /nfs/dbraw/zinc/37/75/03/376377503.db2.gz VPJLSWOEXRKUDY-HOCLYGCPSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505198 376377515 /nfs/dbraw/zinc/37/75/15/376377515.db2.gz VPJLSWOEXRKUDY-HOCLYGCPSA-N 1 3 252.446 3.086 20 0 CGADHO c1cc2c(cccc2CNC2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000263835173 190081657 /nfs/dbraw/zinc/08/16/57/190081657.db2.gz BFYFEQCMWPHFHQ-UHFFFAOYSA-N 1 3 283.419 3.274 20 0 CGADHO C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000230411783 376517458 /nfs/dbraw/zinc/51/74/58/376517458.db2.gz JEXSLKGZJSKYCL-CABCVRRESA-N 1 3 273.424 3.076 20 0 CGADHO CC(C)CC[C@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000338793813 376538098 /nfs/dbraw/zinc/53/80/98/376538098.db2.gz OKPQNQWTOYDRQN-INIZCTEOSA-N 1 3 250.430 3.053 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670826 376567842 /nfs/dbraw/zinc/56/78/42/376567842.db2.gz NTDCAIDNNCQKSZ-RHSMWYFYSA-N 1 3 276.424 3.361 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000234354393 376618014 /nfs/dbraw/zinc/61/80/14/376618014.db2.gz KJWNDCWHPXDKKA-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CSCCCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000235181226 376634264 /nfs/dbraw/zinc/63/42/64/376634264.db2.gz ZYNKXBOJCFQLPK-GJZGRUSLSA-N 1 3 264.438 3.254 20 0 CGADHO CCCC[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000236805588 376697219 /nfs/dbraw/zinc/69/72/19/376697219.db2.gz HMFMDWQBOWTMPI-UHFFFAOYSA-N 1 3 289.467 3.108 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000237185822 376734665 /nfs/dbraw/zinc/73/46/65/376734665.db2.gz MKVTVSBWQFOGLU-HZPDHXFCSA-N 1 3 271.408 3.130 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449112 376819587 /nfs/dbraw/zinc/81/95/87/376819587.db2.gz NKGAWFQNIYFSJW-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449112 376819591 /nfs/dbraw/zinc/81/95/91/376819591.db2.gz NKGAWFQNIYFSJW-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO Cc1cccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000245781652 376906548 /nfs/dbraw/zinc/90/65/48/376906548.db2.gz ULFGRZOYJAQBGE-YOEHRIQHSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000245781652 376906557 /nfs/dbraw/zinc/90/65/57/376906557.db2.gz ULFGRZOYJAQBGE-YOEHRIQHSA-N 1 3 260.425 3.218 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000556939313 376908842 /nfs/dbraw/zinc/90/88/42/376908842.db2.gz TZZRHSXODMAHBC-LVQVYYBASA-N 1 3 252.446 3.451 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000245986059 376949441 /nfs/dbraw/zinc/94/94/41/376949441.db2.gz CCNNQDYVTQGGIR-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000245986059 376949448 /nfs/dbraw/zinc/94/94/48/376949448.db2.gz CCNNQDYVTQGGIR-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000246890490 377111821 /nfs/dbraw/zinc/11/18/21/377111821.db2.gz FKEXKGGTORUZRD-CVEARBPZSA-N 1 3 252.446 3.443 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000246966893 377129643 /nfs/dbraw/zinc/12/96/43/377129643.db2.gz IWNDLBVKRGWIKP-HZPDHXFCSA-N 1 3 292.471 3.208 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000246966893 377129648 /nfs/dbraw/zinc/12/96/48/377129648.db2.gz IWNDLBVKRGWIKP-HZPDHXFCSA-N 1 3 292.471 3.208 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CCC2)C1 ZINC000247246299 377183658 /nfs/dbraw/zinc/18/36/58/377183658.db2.gz DRPXSHYOKYJIBM-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CCC2)C1 ZINC000247246299 377183666 /nfs/dbraw/zinc/18/36/66/377183666.db2.gz DRPXSHYOKYJIBM-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000247246299 377183671 /nfs/dbraw/zinc/18/36/71/377183671.db2.gz DRPXSHYOKYJIBM-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000247246299 377183680 /nfs/dbraw/zinc/18/36/80/377183680.db2.gz DRPXSHYOKYJIBM-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO Cc1cccc([C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000247458582 377207572 /nfs/dbraw/zinc/20/75/72/377207572.db2.gz ICZMDLXGUOHABO-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO Cc1cccc([C@@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000247458582 377207574 /nfs/dbraw/zinc/20/75/74/377207574.db2.gz ICZMDLXGUOHABO-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO C[C@@H](CN1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000247470225 377208991 /nfs/dbraw/zinc/20/89/91/377208991.db2.gz VEJXTSKZGCWXLA-ZKXLYKBJSA-N 1 3 276.468 3.086 20 0 CGADHO C[C@H](CN1C[C@H]2CCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000247470225 377209003 /nfs/dbraw/zinc/20/90/03/377209003.db2.gz VEJXTSKZGCWXLA-ZKXLYKBJSA-N 1 3 276.468 3.086 20 0 CGADHO C[C@H](CN1C[C@H]2CCC[C@@H]2C1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000247470225 377209009 /nfs/dbraw/zinc/20/90/09/377209009.db2.gz VEJXTSKZGCWXLA-ZKXLYKBJSA-N 1 3 276.468 3.086 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247920414 377243518 /nfs/dbraw/zinc/24/35/18/377243518.db2.gz BCZCNNWIMROLTP-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247920414 377243529 /nfs/dbraw/zinc/24/35/29/377243529.db2.gz BCZCNNWIMROLTP-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247920414 377243538 /nfs/dbraw/zinc/24/35/38/377243538.db2.gz BCZCNNWIMROLTP-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247920414 377243548 /nfs/dbraw/zinc/24/35/48/377243548.db2.gz BCZCNNWIMROLTP-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000562020355 377266675 /nfs/dbraw/zinc/26/66/75/377266675.db2.gz XPGHDVOQWAHGGV-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000248487812 377330190 /nfs/dbraw/zinc/33/01/90/377330190.db2.gz MBGYFBRIBQTETA-HRCADAONSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000248487812 377330198 /nfs/dbraw/zinc/33/01/98/377330198.db2.gz MBGYFBRIBQTETA-HRCADAONSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000562206085 377284879 /nfs/dbraw/zinc/28/48/79/377284879.db2.gz LUMBTDDJUSXAFQ-ZDUSSCGKSA-N 1 3 298.833 3.342 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000562206085 377284885 /nfs/dbraw/zinc/28/48/85/377284885.db2.gz LUMBTDDJUSXAFQ-ZDUSSCGKSA-N 1 3 298.833 3.342 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000562206085 377284890 /nfs/dbraw/zinc/28/48/90/377284890.db2.gz LUMBTDDJUSXAFQ-ZDUSSCGKSA-N 1 3 298.833 3.342 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCc2ccccc2C1(C)C ZINC000562863101 377367112 /nfs/dbraw/zinc/36/71/12/377367112.db2.gz VWLRCXZZWJCDBO-MRXNPFEDSA-N 1 3 272.436 3.264 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCc2ccccc2C1(C)C ZINC000562863101 377367115 /nfs/dbraw/zinc/36/71/15/377367115.db2.gz VWLRCXZZWJCDBO-MRXNPFEDSA-N 1 3 272.436 3.264 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037649240 249002240 /nfs/dbraw/zinc/00/22/40/249002240.db2.gz FKGJUSWVZBFYAF-LSDHHAIUSA-N 1 3 288.435 3.220 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(F)c2)CCCCC1 ZINC000422907772 249127451 /nfs/dbraw/zinc/12/74/51/249127451.db2.gz XMAULCJZRMOWFC-IRXDYDNUSA-N 1 3 290.426 3.497 20 0 CGADHO Cc1cc2cc(CN3C[C@@H](C[NH3+])C[C@H]3C)oc2cc1C ZINC000469857916 249160062 /nfs/dbraw/zinc/16/00/62/249160062.db2.gz YZXIRJWKOHZNBT-ZIAGYGMSSA-N 1 3 272.392 3.219 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250264986 377557262 /nfs/dbraw/zinc/55/72/62/377557262.db2.gz WNBXRQNCZRJPBD-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250264986 377557269 /nfs/dbraw/zinc/55/72/69/377557269.db2.gz WNBXRQNCZRJPBD-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)C12CCC2 ZINC000250526606 377561513 /nfs/dbraw/zinc/56/15/13/377561513.db2.gz QYNJWQWWWIGFEL-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H](NC[C@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000250526606 377561520 /nfs/dbraw/zinc/56/15/20/377561520.db2.gz QYNJWQWWWIGFEL-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO [NH3+]CCC1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000516775362 249243418 /nfs/dbraw/zinc/24/34/18/249243418.db2.gz MMHLLPJAHIVYCX-UHFFFAOYSA-N 1 3 288.435 3.036 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574066889 377613984 /nfs/dbraw/zinc/61/39/84/377613984.db2.gz XAEQCCXYTFCUGC-GOEBONIOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574066889 377613991 /nfs/dbraw/zinc/61/39/91/377613991.db2.gz XAEQCCXYTFCUGC-GOEBONIOSA-N 1 3 252.446 3.086 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NCCc1ccc2ccccc2c1 ZINC000258808270 377799112 /nfs/dbraw/zinc/79/91/12/377799112.db2.gz CLZLIPLZBFPFSW-QZTJIDSGSA-N 1 3 268.404 3.242 20 0 CGADHO CC(C)C[N@H+](CC(C)(C)N)[C@@H]1CCCc2cccnc21 ZINC000261919625 377867643 /nfs/dbraw/zinc/86/76/43/377867643.db2.gz KFQOLMQCQWNPMU-OAHLLOKOSA-N 1 3 275.440 3.154 20 0 CGADHO CC(C)C[N@@H+](CC(C)(C)N)[C@@H]1CCCc2cccnc21 ZINC000261919625 377867645 /nfs/dbraw/zinc/86/76/45/377867645.db2.gz KFQOLMQCQWNPMU-OAHLLOKOSA-N 1 3 275.440 3.154 20 0 CGADHO CC(C)[C@H](c1ccccc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261971078 377873813 /nfs/dbraw/zinc/87/38/13/377873813.db2.gz IGUKBIXNGSSHBW-IAGOWNOFSA-N 1 3 260.425 3.315 20 0 CGADHO CC1CCC(N(C[C@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262043201 377883092 /nfs/dbraw/zinc/88/30/92/377883092.db2.gz PJCJDKBHPXRKSW-OPQOLIRYSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@]1(C)CC[NH2+]C1 ZINC000262080974 377885035 /nfs/dbraw/zinc/88/50/35/377885035.db2.gz TWALGEPEBHYBQA-FRFSOERESA-N 1 3 276.399 3.003 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000262117684 377887735 /nfs/dbraw/zinc/88/77/35/377887735.db2.gz KIEUEACCZNHYLJ-BMGDILEWSA-N 1 3 295.430 3.102 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262517824 377900928 /nfs/dbraw/zinc/90/09/28/377900928.db2.gz NRBKKLUSZXRXHJ-QILLFSRXSA-N 1 3 296.414 3.018 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCOC ZINC000484309364 284686215 /nfs/dbraw/zinc/68/62/15/284686215.db2.gz OAKIWHGSHDOJRR-IKGGRYGDSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)COC2 ZINC000269079153 378185740 /nfs/dbraw/zinc/18/57/40/378185740.db2.gz NZZMJSFRZVIYOE-KKXDTOCCSA-N 1 3 288.435 3.240 20 0 CGADHO NCC12CCC(CC1)C[N@@H+]2[C@@H]1CCCc2ccc(F)cc21 ZINC000579732904 378189514 /nfs/dbraw/zinc/18/95/14/378189514.db2.gz BKKYALAOWBUAFN-LKGZKJKYSA-N 1 3 288.410 3.406 20 0 CGADHO NCC12CCC(CC1)C[N@H+]2[C@@H]1CCCc2ccc(F)cc21 ZINC000579732904 378189515 /nfs/dbraw/zinc/18/95/15/378189515.db2.gz BKKYALAOWBUAFN-LKGZKJKYSA-N 1 3 288.410 3.406 20 0 CGADHO NCC12CCC(CC1)C[N@@H+]2[C@H]1CCCc2ccc(F)cc21 ZINC000579732905 378189993 /nfs/dbraw/zinc/18/99/93/378189993.db2.gz BKKYALAOWBUAFN-VXVMZULRSA-N 1 3 288.410 3.406 20 0 CGADHO NCC12CCC(CC1)C[N@H+]2[C@H]1CCCc2ccc(F)cc21 ZINC000579732905 378189997 /nfs/dbraw/zinc/18/99/97/378189997.db2.gz BKKYALAOWBUAFN-VXVMZULRSA-N 1 3 288.410 3.406 20 0 CGADHO CC(C)Oc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000582116339 378286642 /nfs/dbraw/zinc/28/66/42/378286642.db2.gz WULZRPHDUKDWTR-QZTJIDSGSA-N 1 3 290.451 3.266 20 0 CGADHO CC[C@H]1CCC[C@@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000346218470 378509382 /nfs/dbraw/zinc/50/93/82/378509382.db2.gz MKDUIPJSQJVGAB-DLBZAZTESA-N 1 3 296.499 3.245 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]CC2=CCN(C)CC2)C2CC2)c1 ZINC000271910498 378513305 /nfs/dbraw/zinc/51/33/05/378513305.db2.gz XXRJEVZUULAIKM-IBGZPJMESA-N 1 3 284.447 3.168 20 0 CGADHO C[C@@H]1C[C@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000346373321 378558672 /nfs/dbraw/zinc/55/86/72/378558672.db2.gz RJBGXJYEYPKHTM-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)O[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000638707706 378882402 /nfs/dbraw/zinc/88/24/02/378882402.db2.gz KLUFSUVVIDZUEQ-CGTJXYLNSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)O[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000638707706 378882407 /nfs/dbraw/zinc/88/24/07/378882407.db2.gz KLUFSUVVIDZUEQ-CGTJXYLNSA-N 1 3 290.451 3.225 20 0 CGADHO CCOC1CC(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000638721007 378887325 /nfs/dbraw/zinc/88/73/25/378887325.db2.gz MRTVLRMUPMGDJB-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348267070 378875480 /nfs/dbraw/zinc/87/54/80/378875480.db2.gz ZKSWDBKWSGDRRM-NJAFHUGGSA-N 1 3 272.436 3.112 20 0 CGADHO COc1cccc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000638701028 378879722 /nfs/dbraw/zinc/87/97/22/378879722.db2.gz NFHQBGIZSQLEIE-MQVJKMGUSA-N 1 3 288.435 3.109 20 0 CGADHO CCc1ccccc1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277065577 379058572 /nfs/dbraw/zinc/05/85/72/379058572.db2.gz DJEDKLWSPGNQCS-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1ccccc1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277065577 379058582 /nfs/dbraw/zinc/05/85/82/379058582.db2.gz DJEDKLWSPGNQCS-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000370670549 379049682 /nfs/dbraw/zinc/04/96/82/379049682.db2.gz DRVXAVGPFMJIDJ-FZKCQIBNSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370671713 379049912 /nfs/dbraw/zinc/04/99/12/379049912.db2.gz WWFHHOQODRXWLJ-RDBSUJKOSA-N 1 3 270.486 3.123 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370671713 379049919 /nfs/dbraw/zinc/04/99/19/379049919.db2.gz WWFHHOQODRXWLJ-RDBSUJKOSA-N 1 3 270.486 3.123 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000639170779 379088802 /nfs/dbraw/zinc/08/88/02/379088802.db2.gz XVJXSHXSURAZRM-RYRKJORJSA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000639170779 379088811 /nfs/dbraw/zinc/08/88/11/379088811.db2.gz XVJXSHXSURAZRM-RYRKJORJSA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000639170779 379088825 /nfs/dbraw/zinc/08/88/25/379088825.db2.gz XVJXSHXSURAZRM-RYRKJORJSA-N 1 3 290.451 3.083 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277173428 379089949 /nfs/dbraw/zinc/08/99/49/379089949.db2.gz KVYRZQSIGUGRIK-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277173428 379089962 /nfs/dbraw/zinc/08/99/62/379089962.db2.gz KVYRZQSIGUGRIK-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277173428 379089973 /nfs/dbraw/zinc/08/99/73/379089973.db2.gz KVYRZQSIGUGRIK-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO CN(Cc1cccc2ncccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161223 379079876 /nfs/dbraw/zinc/07/98/76/379079876.db2.gz AKKDJZSLACGCQK-SJPCQFCGSA-N 1 3 295.430 3.292 20 0 CGADHO CN(Cc1cccc2ncccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161223 379079878 /nfs/dbraw/zinc/07/98/78/379079878.db2.gz AKKDJZSLACGCQK-SJPCQFCGSA-N 1 3 295.430 3.292 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c2ccccc2n1 ZINC000277262333 379113735 /nfs/dbraw/zinc/11/37/35/379113735.db2.gz RAEKRODMFIFNCJ-QGZVFWFLSA-N 1 3 297.446 3.459 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c2ccccc2n1 ZINC000277262333 379113738 /nfs/dbraw/zinc/11/37/38/379113738.db2.gz RAEKRODMFIFNCJ-QGZVFWFLSA-N 1 3 297.446 3.459 20 0 CGADHO C[NH+](C)[C@H]1CCCN(Cc2cccc3cc[nH]c32)CC1 ZINC000277553728 379187287 /nfs/dbraw/zinc/18/72/87/379187287.db2.gz RESJYVOMTNLKHQ-INIZCTEOSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000277553728 379187295 /nfs/dbraw/zinc/18/72/95/379187295.db2.gz RESJYVOMTNLKHQ-INIZCTEOSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000277553728 379187304 /nfs/dbraw/zinc/18/73/04/379187304.db2.gz RESJYVOMTNLKHQ-INIZCTEOSA-N 1 3 271.408 3.084 20 0 CGADHO C[C@H]1C[C@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217967 379823918 /nfs/dbraw/zinc/82/39/18/379823918.db2.gz TXTVBBQPCVDNQM-MJEQTWJJSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H]1C[C@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217967 379823922 /nfs/dbraw/zinc/82/39/22/379823922.db2.gz TXTVBBQPCVDNQM-MJEQTWJJSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1CC[C@H](NC2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051988 379934407 /nfs/dbraw/zinc/93/44/07/379934407.db2.gz VTPQPIIVDCOTNZ-LTDKPHRXSA-N 1 3 272.436 3.443 20 0 CGADHO c1coc([C@@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)c1 ZINC000401066484 379956432 /nfs/dbraw/zinc/95/64/32/379956432.db2.gz ZGUBYGWMRAFACJ-NTDBWNAOSA-N 1 3 296.414 3.347 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1C ZINC000643031776 380204816 /nfs/dbraw/zinc/20/48/16/380204816.db2.gz XXKQRPBPZSMONU-RHSMWYFYSA-N 1 3 281.403 3.040 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1C[C@@H]1C ZINC000414119805 380192405 /nfs/dbraw/zinc/19/24/05/380192405.db2.gz WXRXQMNQEOWTJP-JQFCIGGWSA-N 1 3 264.457 3.418 20 0 CGADHO c1csc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000643477667 380316604 /nfs/dbraw/zinc/31/66/04/380316604.db2.gz ISCZMBVPRIYEFI-XHSDSOJGSA-N 1 3 278.465 3.191 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000643474710 380316857 /nfs/dbraw/zinc/31/68/57/380316857.db2.gz XEFJCZCEUKDJAH-UKRRQHHQSA-N 1 3 298.377 3.471 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000643502703 380326783 /nfs/dbraw/zinc/32/67/83/380326783.db2.gz OKUIGUFVCGHEJP-GUYCJALGSA-N 1 3 283.419 3.277 20 0 CGADHO NC1(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCC1 ZINC000643517851 380335216 /nfs/dbraw/zinc/33/52/16/380335216.db2.gz LMKIBFLFNWHKRM-SFHVURJKSA-N 1 3 280.415 3.441 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000643463534 380311709 /nfs/dbraw/zinc/31/17/09/380311709.db2.gz BGOVVBDHBLUHMX-ZBFHGGJFSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@@H]([NH2+]CC1(c2ccccc2)CCCCC1)C1CNC1 ZINC000643460779 380311872 /nfs/dbraw/zinc/31/18/72/380311872.db2.gz XESPRWAACVQALD-OAHLLOKOSA-N 1 3 272.436 3.086 20 0 CGADHO C[C@@H](NCC1(c2ccccc2)CCCCC1)C1C[NH2+]C1 ZINC000643460779 380311874 /nfs/dbraw/zinc/31/18/74/380311874.db2.gz XESPRWAACVQALD-OAHLLOKOSA-N 1 3 272.436 3.086 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548854 380364684 /nfs/dbraw/zinc/36/46/84/380364684.db2.gz WCODDSZHEPRHRV-WBVHZDCISA-N 1 3 288.410 3.467 20 0 CGADHO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548916 380365647 /nfs/dbraw/zinc/36/56/47/380365647.db2.gz XJPQILXDXXJPGF-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO CCSc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000414679451 380369766 /nfs/dbraw/zinc/36/97/66/380369766.db2.gz ZWGLVCQILXQPGS-XIRDDKMYSA-N 1 3 290.476 3.358 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C[C@@H]1C ZINC000354224841 380369986 /nfs/dbraw/zinc/36/99/86/380369986.db2.gz TUVQHYGZLNNEBZ-RDJZCZTQSA-N 1 3 260.425 3.034 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2)C[C@@H]1C ZINC000354224841 380369987 /nfs/dbraw/zinc/36/99/87/380369987.db2.gz TUVQHYGZLNNEBZ-RDJZCZTQSA-N 1 3 260.425 3.034 20 0 CGADHO C[C@H]1C[C@@H](CN(Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682185 380370848 /nfs/dbraw/zinc/37/08/48/380370848.db2.gz XZTQUWKJXXVUBT-STQMWFEESA-N 1 3 294.389 3.317 20 0 CGADHO C[C@@H]1C[C@@H](CN(Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681328 380370943 /nfs/dbraw/zinc/37/09/43/380370943.db2.gz OVPHAZIEQIKSQA-KGLIPLIRSA-N 1 3 276.399 3.178 20 0 CGADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](N)CC(C)C ZINC000414693964 380376080 /nfs/dbraw/zinc/37/60/80/380376080.db2.gz SIQZKZYEEIURPG-IAGOWNOFSA-N 1 3 290.451 3.076 20 0 CGADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](N)CC(C)C ZINC000414693964 380376082 /nfs/dbraw/zinc/37/60/82/380376082.db2.gz SIQZKZYEEIURPG-IAGOWNOFSA-N 1 3 290.451 3.076 20 0 CGADHO CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCNCC1 ZINC000414716921 380384816 /nfs/dbraw/zinc/38/48/16/380384816.db2.gz PEEQRKRTOXPJQB-KSZLIROESA-N 1 3 272.436 3.254 20 0 CGADHO CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCNCC1 ZINC000414716921 380384821 /nfs/dbraw/zinc/38/48/21/380384821.db2.gz PEEQRKRTOXPJQB-KSZLIROESA-N 1 3 272.436 3.254 20 0 CGADHO CC[N@H+](C[C@@H]1CCCC[C@H]1C)[C@@H]1CCCNCC1 ZINC000414715282 380385779 /nfs/dbraw/zinc/38/57/79/380385779.db2.gz MUPVPUWKXWQVLT-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCC[C@H]1C)[C@@H]1CCCNCC1 ZINC000414715282 380385787 /nfs/dbraw/zinc/38/57/87/380385787.db2.gz MUPVPUWKXWQVLT-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643523302 380339613 /nfs/dbraw/zinc/33/96/13/380339613.db2.gz ZSBVSLRLEDIFCC-SUMWQHHRSA-N 1 3 283.419 3.277 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)N)c1ccc(Cl)c(Cl)c1 ZINC000643525915 380340610 /nfs/dbraw/zinc/34/06/10/380340610.db2.gz IGHJWYHQOVYGTJ-UFBFGSQYSA-N 1 3 261.196 3.381 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](CC2CC2)c2ccccc2)C1 ZINC000643523923 380341177 /nfs/dbraw/zinc/34/11/77/380341177.db2.gz OFTJCKCJZYPKGH-IKGGRYGDSA-N 1 3 258.409 3.387 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)NC[C@@H](C)[NH3+] ZINC000643528964 380346373 /nfs/dbraw/zinc/34/63/73/380346373.db2.gz RVDSKPGSPDUABZ-IUODEOHRSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643533699 380348288 /nfs/dbraw/zinc/34/82/88/380348288.db2.gz BUOJEJLIGFZFFP-HUUCEWRRSA-N 1 3 280.362 3.148 20 0 CGADHO CNC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659880 380356577 /nfs/dbraw/zinc/35/65/77/380356577.db2.gz UHXJJNDINMYIPJ-YTQUADARSA-N 1 3 286.463 3.428 20 0 CGADHO CNC[C@@H]1CCC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659880 380356583 /nfs/dbraw/zinc/35/65/83/380356583.db2.gz UHXJJNDINMYIPJ-YTQUADARSA-N 1 3 286.463 3.428 20 0 CGADHO C[NH2+]C[C@@H]1CCCN([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659880 380356587 /nfs/dbraw/zinc/35/65/87/380356587.db2.gz UHXJJNDINMYIPJ-YTQUADARSA-N 1 3 286.463 3.428 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414811372 380422841 /nfs/dbraw/zinc/42/28/41/380422841.db2.gz WAZAZAHKUIPDNA-NVXWUHKLSA-N 1 3 276.424 3.083 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414813111 380424647 /nfs/dbraw/zinc/42/46/47/380424647.db2.gz SIATUSHEAJJIPO-CQSZACIVSA-N 1 3 299.462 3.441 20 0 CGADHO CCC([NH3+])(CC)CNC[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000414816103 380427385 /nfs/dbraw/zinc/42/73/85/380427385.db2.gz ZJRLKQDSERRKLV-CYBMUJFWSA-N 1 3 296.430 3.120 20 0 CGADHO C[C@@H](c1cccc(F)c1)N1CCC(C[NH+](C)C)CC1 ZINC000354421209 380432622 /nfs/dbraw/zinc/43/26/22/380432622.db2.gz CCBLETHGJPSDQR-ZDUSSCGKSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@H](CCc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828802 380437489 /nfs/dbraw/zinc/43/74/89/380437489.db2.gz NBBHPKVYUHJIGC-AJSFGMTHSA-N 1 3 276.399 3.019 20 0 CGADHO C[C@H](CCc1ccccc1)NCC1([NH3+])CCCCC1 ZINC000414833382 380442594 /nfs/dbraw/zinc/44/25/94/380442594.db2.gz ARJATQWDHWZYHO-OAHLLOKOSA-N 1 3 260.425 3.259 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)c1cccc(Cl)c1 ZINC000414857047 380457888 /nfs/dbraw/zinc/45/78/88/380457888.db2.gz OSZNKFHMWSWTGU-QWHCGFSZSA-N 1 3 266.816 3.033 20 0 CGADHO C[C@@H](CNC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000414857047 380457893 /nfs/dbraw/zinc/45/78/93/380457893.db2.gz OSZNKFHMWSWTGU-QWHCGFSZSA-N 1 3 266.816 3.033 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000414855307 380457907 /nfs/dbraw/zinc/45/79/07/380457907.db2.gz MSXFBPJMSQKTBB-HRCADAONSA-N 1 3 252.446 3.181 20 0 CGADHO Clc1cccc(CNCC[C@@H]2CC[NH2+]C2)c1Cl ZINC000414838210 380446382 /nfs/dbraw/zinc/44/63/82/380446382.db2.gz VDWRYDIOFLWTGF-JTQLQIEISA-N 1 3 273.207 3.083 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000414784944 380402996 /nfs/dbraw/zinc/40/29/96/380402996.db2.gz UHJXNCCBNIOAIA-FUHWJXTLSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)C[C@H](c2ccccc2)C1 ZINC000414788935 380405362 /nfs/dbraw/zinc/40/53/62/380405362.db2.gz NEPNUGLJRGDYGL-YXJHDRRASA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414811342 380422073 /nfs/dbraw/zinc/42/20/73/380422073.db2.gz ZKIBTMHULMOMKE-GXTWGEPZSA-N 1 3 266.816 3.303 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc3ccccc3c2)C1 ZINC000414907587 380484580 /nfs/dbraw/zinc/48/45/80/380484580.db2.gz AOYFIZJZWSMUHH-IRXDYDNUSA-N 1 3 254.377 3.199 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414905330 380484655 /nfs/dbraw/zinc/48/46/55/380484655.db2.gz NNZZJARFSTVWIF-IAGOWNOFSA-N 1 3 260.425 3.048 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@H]1CCCNCC1)c1ccccc1 ZINC000414911774 380486336 /nfs/dbraw/zinc/48/63/36/380486336.db2.gz HCPVLZRZWDJWLC-DLBZAZTESA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414927839 380491464 /nfs/dbraw/zinc/49/14/64/380491464.db2.gz ACQQCNRBWYWRJO-XUJVJEKNSA-N 1 3 266.816 3.001 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414927839 380491468 /nfs/dbraw/zinc/49/14/68/380491468.db2.gz ACQQCNRBWYWRJO-XUJVJEKNSA-N 1 3 266.816 3.001 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414927744 380491586 /nfs/dbraw/zinc/49/15/86/380491586.db2.gz PJUNXXBQNMSWCZ-ZACQAIPSSA-N 1 3 260.425 3.257 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000414925844 380491808 /nfs/dbraw/zinc/49/18/08/380491808.db2.gz MLFDZSMDNFNXRR-QWHCGFSZSA-N 1 3 273.207 3.353 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414945449 380500070 /nfs/dbraw/zinc/50/00/70/380500070.db2.gz IITDQZFJLJGRNI-HLLBOEOZSA-N 1 3 274.452 3.473 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CCN1 ZINC000414949541 380502821 /nfs/dbraw/zinc/50/28/21/380502821.db2.gz NPHREYGJUNCHBR-CHWSQXEVSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1c2ccccc2C[C@H]1C ZINC000415084750 380507407 /nfs/dbraw/zinc/50/74/07/380507407.db2.gz HNMUVAMBHHZUHQ-LNCBFAARSA-N 1 3 258.409 3.040 20 0 CGADHO CNCCC[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414858497 380459057 /nfs/dbraw/zinc/45/90/57/380459057.db2.gz JTEDTPTYVYBLON-UHFFFAOYSA-N 1 3 296.458 3.287 20 0 CGADHO C[NH2+]CCCNCC(Cc1ccccc1)Cc1ccccc1 ZINC000414858497 380459071 /nfs/dbraw/zinc/45/90/71/380459071.db2.gz JTEDTPTYVYBLON-UHFFFAOYSA-N 1 3 296.458 3.287 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414863795 380463119 /nfs/dbraw/zinc/46/31/19/380463119.db2.gz YFBHTUSNBRCXJC-LZWOXQAQSA-N 1 3 292.492 3.317 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414863795 380463127 /nfs/dbraw/zinc/46/31/27/380463127.db2.gz YFBHTUSNBRCXJC-LZWOXQAQSA-N 1 3 292.492 3.317 20 0 CGADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCCC(C)(C)C)cc1 ZINC000414877439 380471961 /nfs/dbraw/zinc/47/19/61/380471961.db2.gz FXESEEWWVPXIOL-IAGOWNOFSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000414894534 380477847 /nfs/dbraw/zinc/47/78/47/380477847.db2.gz SZKYVIPGVKCMAX-XJKSGUPXSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000414894532 380478787 /nfs/dbraw/zinc/47/87/87/380478787.db2.gz SZKYVIPGVKCMAX-CZUORRHYSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCCNC1 ZINC000414903445 380482772 /nfs/dbraw/zinc/48/27/72/380482772.db2.gz IKLAGNKQRPUYJI-KURKYZTESA-N 1 3 290.426 3.441 20 0 CGADHO C[C@H]1CC[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000355581028 380717699 /nfs/dbraw/zinc/71/76/99/380717699.db2.gz JFMFKMQVCMMSLU-KBPBESRZSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000355650451 380737473 /nfs/dbraw/zinc/73/74/73/380737473.db2.gz HNLJCBOBPDPLRV-WFASDCNBSA-N 1 3 266.816 3.078 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000355650451 380737477 /nfs/dbraw/zinc/73/74/77/380737477.db2.gz HNLJCBOBPDPLRV-WFASDCNBSA-N 1 3 266.816 3.078 20 0 CGADHO COc1ccc(CNCC2(C)CC[NH+](C)CC2)c(Cl)c1 ZINC000355766358 380770981 /nfs/dbraw/zinc/77/09/81/380770981.db2.gz KNRRRJUHJQLFEO-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358810 380894765 /nfs/dbraw/zinc/89/47/65/380894765.db2.gz UYCSFCDGGHWBMC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358810 380894769 /nfs/dbraw/zinc/89/47/69/380894769.db2.gz UYCSFCDGGHWBMC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358810 380894772 /nfs/dbraw/zinc/89/47/72/380894772.db2.gz UYCSFCDGGHWBMC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358810 380894775 /nfs/dbraw/zinc/89/47/75/380894775.db2.gz UYCSFCDGGHWBMC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000358366662 381306526 /nfs/dbraw/zinc/30/65/26/381306526.db2.gz IWEYWEJIWYPGOA-LZLYRXPVSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CO)CCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358366662 381306532 /nfs/dbraw/zinc/30/65/32/381306532.db2.gz IWEYWEJIWYPGOA-LZLYRXPVSA-N 1 3 296.499 3.028 20 0 CGADHO CC1([NH2+]Cc2csc3ccccc23)CCNCC1 ZINC000334843293 207171418 /nfs/dbraw/zinc/17/14/18/207171418.db2.gz OGSOHGLWFFNBPK-UHFFFAOYSA-N 1 3 260.406 3.133 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712907 382104797 /nfs/dbraw/zinc/10/47/97/382104797.db2.gz BYEWHQIEFYTAFR-OBJOEFQTSA-N 1 3 289.448 3.430 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712907 382104801 /nfs/dbraw/zinc/10/48/01/382104801.db2.gz BYEWHQIEFYTAFR-OBJOEFQTSA-N 1 3 289.448 3.430 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000232658847 542306564 /nfs/dbraw/zinc/30/65/64/542306564.db2.gz BVINHPUVKCOJSP-UHFFFAOYSA-N 1 3 283.419 3.197 20 0 CGADHO CC[C@H]1CN(Cc2c(C)oc3ccccc32)CC[C@H]1[NH3+] ZINC000251749256 542347710 /nfs/dbraw/zinc/34/77/10/542347710.db2.gz LGZRFDDFMKETSM-XJKSGUPXSA-N 1 3 272.392 3.300 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413129 296343236 /nfs/dbraw/zinc/34/32/36/296343236.db2.gz ZVHMEDQUSDQQMN-BDXSIMOUSA-N 1 3 294.483 3.046 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1F ZINC000424378522 533001579 /nfs/dbraw/zinc/00/15/79/533001579.db2.gz SWORJKZDVHLHAS-LERXQTSPSA-N 1 3 282.428 3.468 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC1(SC)CC1 ZINC000348967591 218784484 /nfs/dbraw/zinc/78/44/84/218784484.db2.gz QBSMCHOBERZBLM-UHFFFAOYSA-N 1 3 292.492 3.466 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC1(SC)CC1 ZINC000348967591 218784486 /nfs/dbraw/zinc/78/44/86/218784486.db2.gz QBSMCHOBERZBLM-UHFFFAOYSA-N 1 3 292.492 3.466 20 0 CGADHO COc1ccc([C@H](CCC(C)C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423438628 533177361 /nfs/dbraw/zinc/17/73/61/533177361.db2.gz HCVJYRLVGROYJY-KEYYUXOJSA-N 1 3 278.440 3.498 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Sc1ccccc1 ZINC000339070530 542485523 /nfs/dbraw/zinc/48/55/23/542485523.db2.gz ZKQTXPHIKHYLST-OAGGEKHMSA-N 1 3 290.476 3.384 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccccc1 ZINC000339070530 542485527 /nfs/dbraw/zinc/48/55/27/542485527.db2.gz ZKQTXPHIKHYLST-OAGGEKHMSA-N 1 3 290.476 3.384 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000339070682 542486313 /nfs/dbraw/zinc/48/63/13/542486313.db2.gz OAGRAOYZVWZXEO-SQNIBIBYSA-N 1 3 287.451 3.038 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000339070682 542486315 /nfs/dbraw/zinc/48/63/15/542486315.db2.gz OAGRAOYZVWZXEO-SQNIBIBYSA-N 1 3 287.451 3.038 20 0 CGADHO CC(C)=CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188445742 262297033 /nfs/dbraw/zinc/29/70/33/262297033.db2.gz SKMBBKAINPAFER-OAHLLOKOSA-N 1 3 276.424 3.244 20 0 CGADHO CC(C)=CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000188445742 262297035 /nfs/dbraw/zinc/29/70/35/262297035.db2.gz SKMBBKAINPAFER-OAHLLOKOSA-N 1 3 276.424 3.244 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000282055170 195489577 /nfs/dbraw/zinc/48/95/77/195489577.db2.gz GOJWYQDOHZBALZ-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000423518931 533360711 /nfs/dbraw/zinc/36/07/11/533360711.db2.gz CTLDDWUVIKEWLT-CSCXSELSSA-N 1 3 284.447 3.491 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423407085 533525560 /nfs/dbraw/zinc/52/55/60/533525560.db2.gz VHTSIMXNMXZBIN-UJPOAAIJSA-N 1 3 298.883 3.481 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1ccc(Cl)cc1Cl ZINC000415026770 533555046 /nfs/dbraw/zinc/55/50/46/533555046.db2.gz VHURTTJADOMFCB-VIFPVBQESA-N 1 3 261.196 3.210 20 0 CGADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000385657262 542602073 /nfs/dbraw/zinc/60/20/73/542602073.db2.gz ZKHYARBRNQBFAY-GJZGRUSLSA-N 1 3 298.352 3.266 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000385657262 542602076 /nfs/dbraw/zinc/60/20/76/542602076.db2.gz ZKHYARBRNQBFAY-GJZGRUSLSA-N 1 3 298.352 3.266 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000385657262 542602078 /nfs/dbraw/zinc/60/20/78/542602078.db2.gz ZKHYARBRNQBFAY-GJZGRUSLSA-N 1 3 298.352 3.266 20 0 CGADHO c1ccc([C@H]2CC[N@@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000388349427 542605821 /nfs/dbraw/zinc/60/58/21/542605821.db2.gz PLNVDLUGIVYALP-SFHVURJKSA-N 1 3 292.426 3.322 20 0 CGADHO c1ccc([C@H]2CC[N@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000388349427 542605825 /nfs/dbraw/zinc/60/58/25/542605825.db2.gz PLNVDLUGIVYALP-SFHVURJKSA-N 1 3 292.426 3.322 20 0 CGADHO CC[C@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)CC1 ZINC000392269286 542612394 /nfs/dbraw/zinc/61/23/94/542612394.db2.gz JYCYLNIDMXMMRL-GOEBONIOSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@@H]1C ZINC000414907727 542639234 /nfs/dbraw/zinc/63/92/34/542639234.db2.gz AVMFYENYNYGPPJ-OTJKEOIZSA-N 1 3 252.446 3.307 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000414935383 542641991 /nfs/dbraw/zinc/64/19/91/542641991.db2.gz YKTKNRDOWQBDIN-NWDGAFQWSA-N 1 3 284.806 3.271 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCCc2c(F)cccc2Cl)C1 ZINC000414935383 542641993 /nfs/dbraw/zinc/64/19/93/542641993.db2.gz YKTKNRDOWQBDIN-NWDGAFQWSA-N 1 3 284.806 3.271 20 0 CGADHO Cc1cccc(C[NH2+]CCCN2CCCCC2)c1C ZINC000048521568 392003976 /nfs/dbraw/zinc/00/39/76/392003976.db2.gz KDKDKYSDYCMFMG-UHFFFAOYSA-N 1 3 260.425 3.269 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000056522341 392104408 /nfs/dbraw/zinc/10/44/08/392104408.db2.gz KBGJQBRRPLYTPM-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO C1=CC[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000092066242 392231024 /nfs/dbraw/zinc/23/10/24/392231024.db2.gz IKGAFDHMGLYAOG-JZXOWHBKSA-N 1 3 274.452 3.291 20 0 CGADHO C1=CC[C@H](CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000092066242 392231028 /nfs/dbraw/zinc/23/10/28/392231028.db2.gz IKGAFDHMGLYAOG-JZXOWHBKSA-N 1 3 274.452 3.291 20 0 CGADHO C[C@@H](NCCC[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000151932927 392489763 /nfs/dbraw/zinc/48/97/63/392489763.db2.gz KREYJMYOXMVTOY-QWHCGFSZSA-N 1 3 291.464 3.330 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000162213818 392593127 /nfs/dbraw/zinc/59/31/27/392593127.db2.gz OUSHSKMTELPPTL-QGZVFWFLSA-N 1 3 294.483 3.142 20 0 CGADHO CC[NH+]1CCC(N[C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647280949 392633759 /nfs/dbraw/zinc/63/37/59/392633759.db2.gz OPXPPRKULWKFBQ-KRWDZBQOSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@H](CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482394 392737687 /nfs/dbraw/zinc/73/76/87/392737687.db2.gz BBPCGFHCPYJOAD-CQSZACIVSA-N 1 3 258.409 3.007 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543583 392759973 /nfs/dbraw/zinc/75/99/73/392759973.db2.gz PUSYNEVHUOEVMQ-UONOGXRCSA-N 1 3 294.389 3.176 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCC[C@@H](C)C2)CC[C@H]1N ZINC000647937020 392837871 /nfs/dbraw/zinc/83/78/71/392837871.db2.gz PRQRUDKNHAAGOJ-QKPAOTATSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC[C@H]1N ZINC000647937020 392837874 /nfs/dbraw/zinc/83/78/74/392837874.db2.gz PRQRUDKNHAAGOJ-QKPAOTATSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1CN(CC[C@@H]2CCC[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000647937020 392837876 /nfs/dbraw/zinc/83/78/76/392837876.db2.gz PRQRUDKNHAAGOJ-QKPAOTATSA-N 1 3 252.446 3.262 20 0 CGADHO Fc1ccc(/C=C/C[NH2+]CCCN2CCCCC2)cc1F ZINC000510246919 392790753 /nfs/dbraw/zinc/79/07/53/392790753.db2.gz YQZQRAHWUQTEAQ-GQCTYLIASA-N 1 3 294.389 3.444 20 0 CGADHO Cc1cc(C)c(CN(C2CC2)C2CC[NH2+]CC2)c(C)c1 ZINC000647815019 392809050 /nfs/dbraw/zinc/80/90/50/392809050.db2.gz LKNWYAPSKVOIPG-UHFFFAOYSA-N 1 3 272.436 3.328 20 0 CGADHO Cc1cc(C)c(C[N@H+](C2CC2)C2CCNCC2)c(C)c1 ZINC000647815019 392809055 /nfs/dbraw/zinc/80/90/55/392809055.db2.gz LKNWYAPSKVOIPG-UHFFFAOYSA-N 1 3 272.436 3.328 20 0 CGADHO Cc1cc(C)c(C[N@@H+](C2CC2)C2CCNCC2)c(C)c1 ZINC000647815019 392809061 /nfs/dbraw/zinc/80/90/61/392809061.db2.gz LKNWYAPSKVOIPG-UHFFFAOYSA-N 1 3 272.436 3.328 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccoc1 ZINC000519780218 392895615 /nfs/dbraw/zinc/89/56/15/392895615.db2.gz XAKIYZCFUHODHK-AWEZNQCLSA-N 1 3 250.386 3.196 20 0 CGADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392282175 392930460 /nfs/dbraw/zinc/93/04/60/392930460.db2.gz RYGWJUIHQRCBLH-JKSUJKDBSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000415004282 393089890 /nfs/dbraw/zinc/08/98/90/393089890.db2.gz HKPYVESQIXFASU-QWRGUYRKSA-N 1 3 278.396 3.380 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1csc(C(C)(C)C)n1 ZINC000415006780 393092105 /nfs/dbraw/zinc/09/21/05/393092105.db2.gz AFFJZRNYPSCLAO-NSHDSACASA-N 1 3 269.458 3.048 20 0 CGADHO CC(C)(C)c1nc(CNC[C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000415021719 393099933 /nfs/dbraw/zinc/09/99/33/393099933.db2.gz HYCICIGWBDECML-JOCQHMNTSA-N 1 3 295.496 3.295 20 0 CGADHO CC(C)C1CCC([NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000414851376 393056299 /nfs/dbraw/zinc/05/62/99/393056299.db2.gz JCAAMAZUGGMYFP-YHNBSYBMSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C[C@H]1C ZINC000414933320 393058378 /nfs/dbraw/zinc/05/83/78/393058378.db2.gz DQAVBYBGEPNFNY-RBGFHDKUSA-N 1 3 252.446 3.035 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000414954434 393062652 /nfs/dbraw/zinc/06/26/52/393062652.db2.gz MWPUTMABIJNEEB-ORQFMDKSSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1cccc(Cl)c1 ZINC000414956759 393064565 /nfs/dbraw/zinc/06/45/65/393064565.db2.gz VPJBUBRGMWYVJL-JMSVASOKSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1 ZINC000414956759 393064570 /nfs/dbraw/zinc/06/45/70/393064570.db2.gz VPJBUBRGMWYVJL-JMSVASOKSA-N 1 3 266.816 3.174 20 0 CGADHO CCc1cccc(F)c1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414958840 393065109 /nfs/dbraw/zinc/06/51/09/393065109.db2.gz DPRFPJVRRSNJIZ-CQSZACIVSA-N 1 3 264.388 3.010 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414982125 393079481 /nfs/dbraw/zinc/07/94/81/393079481.db2.gz YLECOGXZKJIKHZ-GOSISDBHSA-N 1 3 295.430 3.226 20 0 CGADHO COc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415048096 393112996 /nfs/dbraw/zinc/11/29/96/393112996.db2.gz FOOKPAIGLJQEQR-GOSISDBHSA-N 1 3 284.403 3.265 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]CCCNC2CC2)cc1 ZINC000415065842 393124784 /nfs/dbraw/zinc/12/47/84/393124784.db2.gz HUZOFCDEOAAHDR-OAHLLOKOSA-N 1 3 260.425 3.048 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CCCNC1CC1 ZINC000415067773 393126782 /nfs/dbraw/zinc/12/67/82/393126782.db2.gz LMTPPFJXNBCSMC-KRWDZBQOSA-N 1 3 260.425 3.130 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000415068988 393126965 /nfs/dbraw/zinc/12/69/65/393126965.db2.gz OBXOXYFHWTYMOU-FUHWJXTLSA-N 1 3 272.436 3.130 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H]1CCCC[NH2+]C1)CC3 ZINC000415071705 393128721 /nfs/dbraw/zinc/12/87/21/393128721.db2.gz UIUCQVIXWKAHOD-GJZGRUSLSA-N 1 3 297.446 3.065 20 0 CGADHO Clc1ccc(C2(C[NH2+]C3CCNCC3)CCC2)cc1 ZINC000415074581 393132501 /nfs/dbraw/zinc/13/25/01/393132501.db2.gz CWICOHMDPSZGSH-UHFFFAOYSA-N 1 3 278.827 3.103 20 0 CGADHO Clc1ccc(C2(CNC3CC[NH2+]CC3)CCC2)cc1 ZINC000415074581 393132504 /nfs/dbraw/zinc/13/25/04/393132504.db2.gz CWICOHMDPSZGSH-UHFFFAOYSA-N 1 3 278.827 3.103 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1cccc(Cl)c1 ZINC000415087656 393139363 /nfs/dbraw/zinc/13/93/63/393139363.db2.gz LEUDJCMPXDNQDS-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO Cc1cc2c(cc1C)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423390402 292010422 /nfs/dbraw/zinc/01/04/22/292010422.db2.gz OSUOZSVBDAKFAX-HLLBOEOZSA-N 1 3 288.435 3.377 20 0 CGADHO CCC[C@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000271906531 393255121 /nfs/dbraw/zinc/25/51/21/393255121.db2.gz RIBWTVCPVSQHRG-GOSISDBHSA-N 1 3 272.436 3.422 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCc2ccc(CC)cc2)C1 ZINC000471025602 393272958 /nfs/dbraw/zinc/27/29/58/393272958.db2.gz NOQAFYCOBLFIPS-LJQANCHMSA-N 1 3 288.479 3.455 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCc2ccc(CC)cc2)C1 ZINC000471025602 393272965 /nfs/dbraw/zinc/27/29/65/393272965.db2.gz NOQAFYCOBLFIPS-LJQANCHMSA-N 1 3 288.479 3.455 20 0 CGADHO CC(C)C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472585248 393336778 /nfs/dbraw/zinc/33/67/78/393336778.db2.gz XDSLCKCLHBCQAR-INIZCTEOSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472585248 393336780 /nfs/dbraw/zinc/33/67/80/393336780.db2.gz XDSLCKCLHBCQAR-INIZCTEOSA-N 1 3 252.446 3.229 20 0 CGADHO c1cncc([C@H](NC2CC[NH+](C3CC3)CC2)C2CCC2)c1 ZINC000280269889 393340281 /nfs/dbraw/zinc/34/02/81/393340281.db2.gz KSTALBIEACWIRJ-GOSISDBHSA-N 1 3 285.435 3.139 20 0 CGADHO c1ccc(CCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420392024 393482318 /nfs/dbraw/zinc/48/23/18/393482318.db2.gz IUEWEAQOUOVYTR-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO C(CN1CCSC2(CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420309865 393459171 /nfs/dbraw/zinc/45/91/71/393459171.db2.gz UFKBLXBWCJZZFF-HNNXBMFYSA-N 1 3 282.497 3.128 20 0 CGADHO FC(F)c1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420316812 393463744 /nfs/dbraw/zinc/46/37/44/393463744.db2.gz NSRCPOOLGDUVEU-MRXNPFEDSA-N 1 3 294.389 3.446 20 0 CGADHO CSc1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420339068 393470767 /nfs/dbraw/zinc/47/07/67/393470767.db2.gz QDIURZYMJIWXSH-MRXNPFEDSA-N 1 3 290.476 3.373 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCc2ccsc2)CC1 ZINC000429540853 393474820 /nfs/dbraw/zinc/47/48/20/393474820.db2.gz NVPPCFPDHJLOQG-HNNXBMFYSA-N 1 3 266.454 3.097 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCc2ccsc2)CC1 ZINC000429540853 393474825 /nfs/dbraw/zinc/47/48/25/393474825.db2.gz NVPPCFPDHJLOQG-HNNXBMFYSA-N 1 3 266.454 3.097 20 0 CGADHO c1cc(CCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420404361 393485078 /nfs/dbraw/zinc/48/50/78/393485078.db2.gz RYIYLGVYYWXFPK-CVEARBPZSA-N 1 3 278.465 3.145 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226782 393543264 /nfs/dbraw/zinc/54/32/64/393543264.db2.gz PPJMVLXCXRWKIO-KXBFYZLASA-N 1 3 286.463 3.480 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226782 393543266 /nfs/dbraw/zinc/54/32/66/393543266.db2.gz PPJMVLXCXRWKIO-KXBFYZLASA-N 1 3 286.463 3.480 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)CS1 ZINC000488412632 393503327 /nfs/dbraw/zinc/50/33/27/393503327.db2.gz XTEYQOPQGFUTNM-OAGGEKHMSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC[C@@H](C)C[NH+]2CCCCC2)CS1 ZINC000488412632 393503332 /nfs/dbraw/zinc/50/33/32/393503332.db2.gz XTEYQOPQGFUTNM-OAGGEKHMSA-N 1 3 284.513 3.228 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430161275 393532244 /nfs/dbraw/zinc/53/22/44/393532244.db2.gz HSHQOOXNQAVTFB-QGZVFWFLSA-N 1 3 292.854 3.484 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000430161275 393532247 /nfs/dbraw/zinc/53/22/47/393532247.db2.gz HSHQOOXNQAVTFB-QGZVFWFLSA-N 1 3 292.854 3.484 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCSc2ccc(Cl)cc2)C1 ZINC000430560831 393574489 /nfs/dbraw/zinc/57/44/89/393574489.db2.gz XNSPAKDMGIMAQS-CHWSQXEVSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430568606 393576525 /nfs/dbraw/zinc/57/65/25/393576525.db2.gz HRGZGBHHYYEOFK-BEFAXECRSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568606 393576531 /nfs/dbraw/zinc/57/65/31/393576531.db2.gz HRGZGBHHYYEOFK-BEFAXECRSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568606 393576537 /nfs/dbraw/zinc/57/65/37/393576537.db2.gz HRGZGBHHYYEOFK-BEFAXECRSA-N 1 3 282.431 3.442 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C[C@@H]1C ZINC000666857884 542821546 /nfs/dbraw/zinc/82/15/46/542821546.db2.gz OBAKPGUXKOSVOG-VGWMRTNUSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[N@H+](C)CCCNCCSCc1ccccc1 ZINC000430760043 393594258 /nfs/dbraw/zinc/59/42/58/393594258.db2.gz IDMJSRBNBBXSHK-UHFFFAOYSA-N 1 3 280.481 3.240 20 0 CGADHO CC(C)[N@@H+](C)CCCNCCSCc1ccccc1 ZINC000430760043 393594262 /nfs/dbraw/zinc/59/42/62/393594262.db2.gz IDMJSRBNBBXSHK-UHFFFAOYSA-N 1 3 280.481 3.240 20 0 CGADHO CC(C)N(C)CCC[NH2+]CCSCc1ccccc1 ZINC000430760043 393594267 /nfs/dbraw/zinc/59/42/67/393594267.db2.gz IDMJSRBNBBXSHK-UHFFFAOYSA-N 1 3 280.481 3.240 20 0 CGADHO CCC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000360862893 393600947 /nfs/dbraw/zinc/60/09/47/393600947.db2.gz XRKFWAFWOAHNOF-PBHICJAKSA-N 1 3 278.440 3.466 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421336290 393605276 /nfs/dbraw/zinc/60/52/76/393605276.db2.gz VYZCWCMHPZPFLI-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430620126 393582663 /nfs/dbraw/zinc/58/26/63/393582663.db2.gz HHDBYAMSPYIAPN-QGZVFWFLSA-N 1 3 282.431 3.314 20 0 CGADHO CCc1cnccc1[C@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000361133067 393680534 /nfs/dbraw/zinc/68/05/34/393680534.db2.gz UQUDBMYNMYKODX-GOEBONIOSA-N 1 3 275.440 3.169 20 0 CGADHO C[C@H](C[C@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000360932873 393618405 /nfs/dbraw/zinc/61/84/05/393618405.db2.gz HEYUXXFCOPTLMD-CRAIPNDOSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013120 393625411 /nfs/dbraw/zinc/62/54/11/393625411.db2.gz LROWEAZRVLHAER-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422816292 393644791 /nfs/dbraw/zinc/64/47/91/393644791.db2.gz DYLZXVLKTSLGBR-RFGFWPKPSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422816292 393644795 /nfs/dbraw/zinc/64/47/95/393644795.db2.gz DYLZXVLKTSLGBR-RFGFWPKPSA-N 1 3 292.389 3.475 20 0 CGADHO c1cc2c(cc1CNC[C@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000490577590 393645892 /nfs/dbraw/zinc/64/58/92/393645892.db2.gz GTLOULSKHUBIKX-MRXNPFEDSA-N 1 3 284.447 3.139 20 0 CGADHO c1cc2c(cc1CNC[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000490577590 393645900 /nfs/dbraw/zinc/64/59/00/393645900.db2.gz GTLOULSKHUBIKX-MRXNPFEDSA-N 1 3 284.447 3.139 20 0 CGADHO c1cc2c(cc1C[NH2+]C[C@H]1CCN(C3CC3)C1)CCCC2 ZINC000490577590 393645908 /nfs/dbraw/zinc/64/59/08/393645908.db2.gz GTLOULSKHUBIKX-MRXNPFEDSA-N 1 3 284.447 3.139 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423273864 393657113 /nfs/dbraw/zinc/65/71/13/393657113.db2.gz KZXVCVUGGYMGKX-LYRGGWFBSA-N 1 3 264.388 3.022 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423275727 393657929 /nfs/dbraw/zinc/65/79/29/393657929.db2.gz NOIFXAJJIBCZHD-BHYGNILZSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1CN)CC2 ZINC000423275727 393657941 /nfs/dbraw/zinc/65/79/41/393657941.db2.gz NOIFXAJJIBCZHD-BHYGNILZSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423401097 393665947 /nfs/dbraw/zinc/66/59/47/393665947.db2.gz VTYWOUXQVVXUMN-WCFLWFBJSA-N 1 3 281.469 3.495 20 0 CGADHO CC(C)[C@H]([NH2+][C@H](C)[C@H](C)N)c1cc2ccccc2o1 ZINC000423452455 393667773 /nfs/dbraw/zinc/66/77/73/393667773.db2.gz WJMHSFHWKMENQK-OZVIIMIRSA-N 1 3 260.381 3.455 20 0 CGADHO C[C@@H](N[C@H]1CCCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423559202 393673191 /nfs/dbraw/zinc/67/31/91/393673191.db2.gz ORTSONCUCZEKHJ-RYSNWHEDSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H](CN[C@@H](C)[C@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889220 393774906 /nfs/dbraw/zinc/77/49/06/393774906.db2.gz SQMDXCQHBYNCSP-JQHSSLGASA-N 1 3 290.451 3.227 20 0 CGADHO c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993963 542832316 /nfs/dbraw/zinc/83/23/16/542832316.db2.gz XMTWWTHSMJHMPE-QGZVFWFLSA-N 1 3 270.420 3.328 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC000666995735 542833318 /nfs/dbraw/zinc/83/33/18/542833318.db2.gz YEAARHJOOAUDBU-CBBWQLFWSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666996932 542833432 /nfs/dbraw/zinc/83/34/32/542833432.db2.gz NBDAMKYQLDKYCU-CABCVRRESA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995397 542833499 /nfs/dbraw/zinc/83/34/99/542833499.db2.gz MURRRSOSMGGMJV-KKUMJFAQSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995696 542833767 /nfs/dbraw/zinc/83/37/67/542833767.db2.gz WRMVYUOODLCQPH-RDJZCZTQSA-N 1 3 272.436 3.272 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555350 394016509 /nfs/dbraw/zinc/01/65/09/394016509.db2.gz AQXQUBODERRPOP-GOEBONIOSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555350 394016511 /nfs/dbraw/zinc/01/65/11/394016511.db2.gz AQXQUBODERRPOP-GOEBONIOSA-N 1 3 250.430 3.149 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCCc1cccnc1)CN1CCCC1 ZINC000453055656 394154243 /nfs/dbraw/zinc/15/42/43/394154243.db2.gz CYJZKHLCOQHEGF-IAGOWNOFSA-N 1 3 289.467 3.114 20 0 CGADHO C[N@H+](CCCCNCc1ccc(Cl)cc1F)C1CC1 ZINC000453594995 394253407 /nfs/dbraw/zinc/25/34/07/394253407.db2.gz JIJPBRHDEMOFRO-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[N@@H+](CCCCNCc1ccc(Cl)cc1F)C1CC1 ZINC000453594995 394253411 /nfs/dbraw/zinc/25/34/11/394253411.db2.gz JIJPBRHDEMOFRO-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000453141850 394185164 /nfs/dbraw/zinc/18/51/64/394185164.db2.gz UCPZQUVEUUDNEH-KBAYOESNSA-N 1 3 289.467 3.255 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668813 543041258 /nfs/dbraw/zinc/04/12/58/543041258.db2.gz DHCGSSCIYBQPMX-QRIFCXAISA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668813 543041260 /nfs/dbraw/zinc/04/12/60/543041260.db2.gz DHCGSSCIYBQPMX-QRIFCXAISA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153793 543141970 /nfs/dbraw/zinc/14/19/70/543141970.db2.gz NAWFAFSBTXZPBM-SZMVWBNQSA-N 1 3 274.452 3.499 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C2CC2)cc1 ZINC000423386599 292110648 /nfs/dbraw/zinc/11/06/48/292110648.db2.gz LZNJWDFNVMCGGU-KSZLIROESA-N 1 3 272.436 3.176 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C(C)C)cc1 ZINC000423364831 292110663 /nfs/dbraw/zinc/11/06/63/292110663.db2.gz BJEDCVVFQWBJDM-JQHSSLGASA-N 1 3 274.452 3.292 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408281 397608479 /nfs/dbraw/zinc/60/84/79/397608479.db2.gz XZBUBGXDVUQEOL-MRXNPFEDSA-N 1 3 288.435 3.049 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000070978445 397639464 /nfs/dbraw/zinc/63/94/64/397639464.db2.gz XMHSDPVOOXRGDC-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCC1 ZINC000429432344 292126066 /nfs/dbraw/zinc/12/60/66/292126066.db2.gz UQMYXADJBPWGFB-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO CCCCOc1ccccc1CN1CCC(CC[NH3+])CC1 ZINC000650721554 397902507 /nfs/dbraw/zinc/90/25/07/397902507.db2.gz OKUUGPVJPZXLMG-UHFFFAOYSA-N 1 3 290.451 3.426 20 0 CGADHO [NH3+]CC1(CCN[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000650747229 397906622 /nfs/dbraw/zinc/90/66/22/397906622.db2.gz VDDBGHXMHUQOIE-QGZVFWFLSA-N 1 3 299.393 3.029 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2ccc(F)cc21 ZINC000650758588 397911019 /nfs/dbraw/zinc/91/10/19/397911019.db2.gz SSEPLEJMOMPWHT-SFHVURJKSA-N 1 3 284.378 3.322 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000423161332 296576974 /nfs/dbraw/zinc/57/69/74/296576974.db2.gz IZZMSSSLIFEMPS-QLFBSQMISA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CC1 ZINC000675788176 543365314 /nfs/dbraw/zinc/36/53/14/543365314.db2.gz MGIQCQKFWRJSTR-KRWDZBQOSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000675894100 543370648 /nfs/dbraw/zinc/37/06/48/543370648.db2.gz CHCFOESPZQYGCX-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000675894100 543370650 /nfs/dbraw/zinc/37/06/50/543370650.db2.gz CHCFOESPZQYGCX-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678335951 543515831 /nfs/dbraw/zinc/51/58/31/543515831.db2.gz QBPGZNXGFFOVEB-KRWDZBQOSA-N 1 3 290.451 3.105 20 0 CGADHO CC(C)[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678335951 543515833 /nfs/dbraw/zinc/51/58/33/543515833.db2.gz QBPGZNXGFFOVEB-KRWDZBQOSA-N 1 3 290.451 3.105 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c(C)n1 ZINC000678411227 543520450 /nfs/dbraw/zinc/52/04/50/543520450.db2.gz JDMHHPZLTKRFDE-MRXNPFEDSA-N 1 3 289.467 3.469 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000678603539 543542642 /nfs/dbraw/zinc/54/26/42/543542642.db2.gz XZZFYWAEEVMZFL-AEFFLSMTSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423361663 297107381 /nfs/dbraw/zinc/10/73/81/297107381.db2.gz AKWQMMAHLYLBSP-ZBFHGGJFSA-N 1 3 264.457 3.467 20 0 CGADHO COCCC1(C[NH2+]C[C@H](C)CN2CCCC2)CCCCC1 ZINC000189053234 292306349 /nfs/dbraw/zinc/30/63/49/292306349.db2.gz SNMRLSMSZFHKBJ-KRWDZBQOSA-N 1 3 296.499 3.295 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422802366 287046967 /nfs/dbraw/zinc/04/69/67/287046967.db2.gz BGHGQIQJOZUOHP-JJRVBVJISA-N 1 3 275.440 3.468 20 0 CGADHO C[NH2+]CC1CCN(Cc2cccc(OCC(C)C)c2)CC1 ZINC000066152275 165034209 /nfs/dbraw/zinc/03/42/09/165034209.db2.gz UKNQMAHDOGNGRG-UHFFFAOYSA-N 1 3 290.451 3.153 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255033 165181077 /nfs/dbraw/zinc/18/10/77/165181077.db2.gz WFMDPNHQWRLGKT-GOEBONIOSA-N 1 3 289.448 3.249 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255033 165181078 /nfs/dbraw/zinc/18/10/78/165181078.db2.gz WFMDPNHQWRLGKT-GOEBONIOSA-N 1 3 289.448 3.249 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000089150377 165199896 /nfs/dbraw/zinc/19/98/96/165199896.db2.gz BLYXLRZGMXMISA-SUHUHFCYSA-N 1 3 297.240 3.227 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000089148246 165201287 /nfs/dbraw/zinc/20/12/87/165201287.db2.gz AIYRIRSJAXVKRZ-GPQLOAJWSA-N 1 3 272.436 3.430 20 0 CGADHO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)cc1Cl ZINC000090468969 165236782 /nfs/dbraw/zinc/23/67/82/165236782.db2.gz XEGXUMWIIHOYCX-JMSVASOKSA-N 1 3 296.842 3.167 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccccc1 ZINC000093495976 165331593 /nfs/dbraw/zinc/33/15/93/165331593.db2.gz MTKFCGMSQJELIS-NVXWUHKLSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000094070083 165342801 /nfs/dbraw/zinc/34/28/01/165342801.db2.gz ADRGKFMTQBYECF-QGZVFWFLSA-N 1 3 294.414 3.107 20 0 CGADHO CCC(CC)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284330406 196030539 /nfs/dbraw/zinc/03/05/39/196030539.db2.gz KRYPVTUWCCCQHN-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO COc1cccc([C@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000020128796 171016240 /nfs/dbraw/zinc/01/62/40/171016240.db2.gz NFLADQYDKDPVNZ-HNNXBMFYSA-N 1 3 276.424 3.222 20 0 CGADHO CC1CCN(CCC[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000020146345 171032485 /nfs/dbraw/zinc/03/24/85/171032485.db2.gz HEPNOUWNVWVZJO-INIZCTEOSA-N 1 3 250.430 3.054 20 0 CGADHO CSc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285577776 196333493 /nfs/dbraw/zinc/33/34/93/196333493.db2.gz TTWRQYMJOZTZAX-XYPWUTKMSA-N 1 3 290.476 3.466 20 0 CGADHO CSc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285577776 196333495 /nfs/dbraw/zinc/33/34/95/196333495.db2.gz TTWRQYMJOZTZAX-XYPWUTKMSA-N 1 3 290.476 3.466 20 0 CGADHO CCC[N@H+](C/C=C/c1ccccc1)C1CCNCC1 ZINC000037539195 173260011 /nfs/dbraw/zinc/26/00/11/173260011.db2.gz IIIIVXYBMYKXMW-RMKNXTFCSA-N 1 3 258.409 3.164 20 0 CGADHO CCC[N@@H+](C/C=C/c1ccccc1)C1CCNCC1 ZINC000037539195 173260014 /nfs/dbraw/zinc/26/00/14/173260014.db2.gz IIIIVXYBMYKXMW-RMKNXTFCSA-N 1 3 258.409 3.164 20 0 CGADHO CC(C)(C)[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326751 175008278 /nfs/dbraw/zinc/00/82/78/175008278.db2.gz CKIYIQPHLJQCTK-HUUCEWRRSA-N 1 3 264.388 3.255 20 0 CGADHO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2n1 ZINC000044537999 175200302 /nfs/dbraw/zinc/20/03/02/175200302.db2.gz KXWLHKGLPKFNSS-CQSZACIVSA-N 1 3 269.392 3.297 20 0 CGADHO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2ccccc2n1 ZINC000044537999 175200303 /nfs/dbraw/zinc/20/03/03/175200303.db2.gz KXWLHKGLPKFNSS-CQSZACIVSA-N 1 3 269.392 3.297 20 0 CGADHO CC[C@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358791 416492202 /nfs/dbraw/zinc/49/22/02/416492202.db2.gz KMNGYWNMUSCQMK-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358791 416492206 /nfs/dbraw/zinc/49/22/06/416492206.db2.gz KMNGYWNMUSCQMK-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358791 416492209 /nfs/dbraw/zinc/49/22/09/416492209.db2.gz KMNGYWNMUSCQMK-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H]1CN(Cc2cc(C)nc3ccccc23)CC[C@@H]1[NH3+] ZINC000134105482 416517023 /nfs/dbraw/zinc/51/70/23/416517023.db2.gz UWDBASZRZHDSRS-PBHICJAKSA-N 1 3 283.419 3.102 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076660 543823303 /nfs/dbraw/zinc/82/33/03/543823303.db2.gz VIYZYURWHQWUIO-PBHICJAKSA-N 1 3 285.435 3.473 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076660 543823305 /nfs/dbraw/zinc/82/33/05/543823305.db2.gz VIYZYURWHQWUIO-PBHICJAKSA-N 1 3 285.435 3.473 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000682375714 543837766 /nfs/dbraw/zinc/83/77/66/543837766.db2.gz MLADNOLBOGJIRM-VQHPVUNQSA-N 1 3 266.473 3.379 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832431 543946345 /nfs/dbraw/zinc/94/63/45/543946345.db2.gz SSYHNNMMFWQECL-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832431 543946347 /nfs/dbraw/zinc/94/63/47/543946347.db2.gz SSYHNNMMFWQECL-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832431 543946348 /nfs/dbraw/zinc/94/63/48/543946348.db2.gz SSYHNNMMFWQECL-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832431 543946349 /nfs/dbraw/zinc/94/63/49/543946349.db2.gz SSYHNNMMFWQECL-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683831384 543946488 /nfs/dbraw/zinc/94/64/88/543946488.db2.gz VFKGADDKHCOYMI-DNVCBOLYSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683831384 543946491 /nfs/dbraw/zinc/94/64/91/543946491.db2.gz VFKGADDKHCOYMI-DNVCBOLYSA-N 1 3 297.446 3.397 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471130 544078510 /nfs/dbraw/zinc/07/85/10/544078510.db2.gz OENQQBFXLXFPFV-HKUYNNGSSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471130 544078512 /nfs/dbraw/zinc/07/85/12/544078512.db2.gz OENQQBFXLXFPFV-HKUYNNGSSA-N 1 3 284.447 3.480 20 0 CGADHO c1ccc2c(c1)CC(C[N@H+]1CC[C@@H](CN3CCCCC3)C1)C2 ZINC000685838123 544100587 /nfs/dbraw/zinc/10/05/87/544100587.db2.gz NKMMVIARRLGQKL-KRWDZBQOSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC(C[N@@H+]1CC[C@@H](CN3CCCCC3)C1)C2 ZINC000685838123 544100592 /nfs/dbraw/zinc/10/05/92/544100592.db2.gz NKMMVIARRLGQKL-KRWDZBQOSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC(CN1CC[C@@H](C[NH+]3CCCCC3)C1)C2 ZINC000685838123 544100594 /nfs/dbraw/zinc/10/05/94/544100594.db2.gz NKMMVIARRLGQKL-KRWDZBQOSA-N 1 3 298.474 3.209 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H](OC)C2CCCCC2)C1 ZINC000659975452 419049776 /nfs/dbraw/zinc/04/97/76/419049776.db2.gz LOOXXPABHIBOIR-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659975452 419049777 /nfs/dbraw/zinc/04/97/77/419049777.db2.gz LOOXXPABHIBOIR-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659975452 419049781 /nfs/dbraw/zinc/04/97/81/419049781.db2.gz LOOXXPABHIBOIR-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO CC1(C)C[C@H](N2CCC(C[NH+]3CCCCCC3)CC2)CO1 ZINC000659836882 419006591 /nfs/dbraw/zinc/00/65/91/419006591.db2.gz BSQNWXPCZHUYKR-KRWDZBQOSA-N 1 3 294.483 3.142 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000659847139 419010235 /nfs/dbraw/zinc/01/02/35/419010235.db2.gz UGRHHHDYEFBCAS-ZACQAIPSSA-N 1 3 276.468 3.373 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000659847139 419010239 /nfs/dbraw/zinc/01/02/39/419010239.db2.gz UGRHHHDYEFBCAS-ZACQAIPSSA-N 1 3 276.468 3.373 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237594 419088980 /nfs/dbraw/zinc/08/89/80/419088980.db2.gz FGDUAZMTIUQHFA-LSDHHAIUSA-N 1 3 258.365 3.182 20 0 CGADHO C[C@@H]([NH2+]CC1CC(C)(C)CC(C)(C)C1)C1CNC1 ZINC000665245789 419090187 /nfs/dbraw/zinc/09/01/87/419090187.db2.gz RFSKIRMUAHEOJW-GFCCVEGCSA-N 1 3 252.446 3.036 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC1CCC1 ZINC000665266541 419096729 /nfs/dbraw/zinc/09/67/29/419096729.db2.gz DTNHBLAAZOZCTO-GFCCVEGCSA-N 1 3 261.413 3.080 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000665281113 419102678 /nfs/dbraw/zinc/10/26/78/419102678.db2.gz VERNSAMOPRFVJO-IAGOWNOFSA-N 1 3 280.431 3.356 20 0 CGADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000665298197 419111078 /nfs/dbraw/zinc/11/10/78/419111078.db2.gz TYKBKWHLLWILSI-DUVNUKRYSA-N 1 3 280.843 3.249 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659982406 419052281 /nfs/dbraw/zinc/05/22/81/419052281.db2.gz MBKRLTANFDNVCD-TWMKSMIVSA-N 1 3 264.457 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659982406 419052285 /nfs/dbraw/zinc/05/22/85/419052285.db2.gz MBKRLTANFDNVCD-TWMKSMIVSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660655546 419177302 /nfs/dbraw/zinc/17/73/02/419177302.db2.gz NATPAMWHOKAJDF-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660655546 419177304 /nfs/dbraw/zinc/17/73/04/419177304.db2.gz NATPAMWHOKAJDF-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO Cc1cccc(CCCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660664810 419178519 /nfs/dbraw/zinc/17/85/19/419178519.db2.gz SWITYKJWZIGBMZ-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCCN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660664810 419178520 /nfs/dbraw/zinc/17/85/20/419178520.db2.gz SWITYKJWZIGBMZ-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656617945 419186501 /nfs/dbraw/zinc/18/65/01/419186501.db2.gz RMLALINSJRQQGI-OAHLLOKOSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCCc2cccc(Cl)c2)C1 ZINC000656617945 419186503 /nfs/dbraw/zinc/18/65/03/419186503.db2.gz RMLALINSJRQQGI-OAHLLOKOSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCCc2cccc(Cl)c2)C1 ZINC000656617945 419186506 /nfs/dbraw/zinc/18/65/06/419186506.db2.gz RMLALINSJRQQGI-OAHLLOKOSA-N 1 3 280.843 3.202 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657336955 419253669 /nfs/dbraw/zinc/25/36/69/419253669.db2.gz BUTCJNCBZYVBLE-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO CCc1cccc2cc(CNCC3=CC[N@H+](C)CC3)oc21 ZINC000657427105 419275963 /nfs/dbraw/zinc/27/59/63/419275963.db2.gz MKRAJALUVYRGEN-UHFFFAOYSA-N 1 3 284.403 3.347 20 0 CGADHO CCc1cccc2cc(CNCC3=CC[N@@H+](C)CC3)oc21 ZINC000657427105 419275965 /nfs/dbraw/zinc/27/59/65/419275965.db2.gz MKRAJALUVYRGEN-UHFFFAOYSA-N 1 3 284.403 3.347 20 0 CGADHO CC(C)C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612644 419313483 /nfs/dbraw/zinc/31/34/83/419313483.db2.gz NPCNEDTZBVWCHR-MRXNPFEDSA-N 1 3 289.467 3.318 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@H](C)C2 ZINC000657698764 419329445 /nfs/dbraw/zinc/32/94/45/419329445.db2.gz YLSCNKICACSFBR-XZKMEQPCSA-N 1 3 284.447 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)[C@H](C)C2 ZINC000657698764 419329447 /nfs/dbraw/zinc/32/94/47/419329447.db2.gz YLSCNKICACSFBR-XZKMEQPCSA-N 1 3 284.447 3.445 20 0 CGADHO c1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c2c(c1)CNCC2 ZINC000662258214 419372483 /nfs/dbraw/zinc/37/24/83/419372483.db2.gz SPOMJJFXDHJTRS-SFHVURJKSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc(C[N@H+]2CCC[C@H]2C2CCC2)c2c(c1)CNCC2 ZINC000662258214 419372484 /nfs/dbraw/zinc/37/24/84/419372484.db2.gz SPOMJJFXDHJTRS-SFHVURJKSA-N 1 3 270.420 3.097 20 0 CGADHO CC(C)(C)c1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000662266913 419375126 /nfs/dbraw/zinc/37/51/26/419375126.db2.gz QPUDZFBMQDIUNV-USXIJHARSA-N 1 3 272.436 3.153 20 0 CGADHO c1ccc([C@@H]2CC[C@@H](CN3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000662264068 419377001 /nfs/dbraw/zinc/37/70/01/419377001.db2.gz APHZOXYITAKKNB-QRQLOZEOSA-N 1 3 284.447 3.256 20 0 CGADHO CC[C@H](CC(F)F)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662277552 419382764 /nfs/dbraw/zinc/38/27/64/419382764.db2.gz WBNQLLCHKMDBJE-HZSPNIEDSA-N 1 3 274.399 3.132 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCCC12CC2)N1CCCCC1 ZINC000657973808 419470346 /nfs/dbraw/zinc/47/03/46/419470346.db2.gz UYZWCHIQRADZAE-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]Cc1ccccc1OCCN(C)C ZINC000186297583 287556605 /nfs/dbraw/zinc/55/66/05/287556605.db2.gz QJFHGNVGEZQPGC-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1ccsc1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663346999 419566233 /nfs/dbraw/zinc/56/62/33/419566233.db2.gz FCGIKCZYHVAXQP-OAHLLOKOSA-N 1 3 278.465 3.268 20 0 CGADHO C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663345900 419567317 /nfs/dbraw/zinc/56/73/17/419567317.db2.gz OFGZKGCRCZUASH-INIZCTEOSA-N 1 3 276.468 3.421 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccncc1 ZINC000663466134 419617706 /nfs/dbraw/zinc/61/77/06/419617706.db2.gz OMCBRCQUDHRLFB-SJLPKXTDSA-N 1 3 287.451 3.244 20 0 CGADHO CC(C)C1CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663466437 419620011 /nfs/dbraw/zinc/62/00/11/419620011.db2.gz SZAVLKPQMIHQIU-KLAILNCOSA-N 1 3 264.457 3.133 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658163625 419627523 /nfs/dbraw/zinc/62/75/23/419627523.db2.gz QTRWERUWMPDFER-LEUOFYLZSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658163625 419627528 /nfs/dbraw/zinc/62/75/28/419627528.db2.gz QTRWERUWMPDFER-LEUOFYLZSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000663503683 419642025 /nfs/dbraw/zinc/64/20/25/419642025.db2.gz SDVWYUKIUYIKPJ-KURKYZTESA-N 1 3 274.452 3.460 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000663503683 419642035 /nfs/dbraw/zinc/64/20/35/419642035.db2.gz SDVWYUKIUYIKPJ-KURKYZTESA-N 1 3 274.452 3.460 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1CCNc1nccc2[nH]ccc21 ZINC000663603177 419656504 /nfs/dbraw/zinc/65/65/04/419656504.db2.gz GWGPHUSHWJLLAP-ZDUSSCGKSA-N 1 3 272.396 3.239 20 0 CGADHO CC[C@H]1CCCC[N@H+]1CCNc1nccc2[nH]ccc21 ZINC000663603177 419656513 /nfs/dbraw/zinc/65/65/13/419656513.db2.gz GWGPHUSHWJLLAP-ZDUSSCGKSA-N 1 3 272.396 3.239 20 0 CGADHO CCC[N@H+](CC)C[C@@H](C)Nc1nccc2[nH]ccc21 ZINC000663925315 419761391 /nfs/dbraw/zinc/76/13/91/419761391.db2.gz WOTHQHREQDSGMO-GFCCVEGCSA-N 1 3 260.385 3.095 20 0 CGADHO CCC[N@@H+](CC)C[C@@H](C)Nc1nccc2[nH]ccc21 ZINC000663925315 419761397 /nfs/dbraw/zinc/76/13/97/419761397.db2.gz WOTHQHREQDSGMO-GFCCVEGCSA-N 1 3 260.385 3.095 20 0 CGADHO C(CNC1CC1)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313045824 260241190 /nfs/dbraw/zinc/24/11/90/260241190.db2.gz MTGJWLJORRUGAO-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@@H]([NH3+])[C@H](C)NCCCc1c(Cl)cccc1Cl ZINC000415011453 274239747 /nfs/dbraw/zinc/23/97/47/274239747.db2.gz HVSHIGFGYIEMAI-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO CSc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534658 270035879 /nfs/dbraw/zinc/03/58/79/270035879.db2.gz VBKVLOJGHHGVIE-UONOGXRCSA-N 1 3 278.465 3.401 20 0 CGADHO CSc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534658 270035880 /nfs/dbraw/zinc/03/58/80/270035880.db2.gz VBKVLOJGHHGVIE-UONOGXRCSA-N 1 3 278.465 3.401 20 0 CGADHO COC1(CNC2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC000186515155 270066391 /nfs/dbraw/zinc/06/63/91/270066391.db2.gz ORCNDKGFGZVVNE-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO c1ccc([C@@H]([NH2+]CCCN2CCCCC2)C2CCC2)nc1 ZINC000528657364 270169568 /nfs/dbraw/zinc/16/95/68/270169568.db2.gz IMDGTEOATRPZTI-SFHVURJKSA-N 1 3 287.451 3.388 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]CCCN2CCCC2)C2CC2)c1 ZINC000531689009 270208992 /nfs/dbraw/zinc/20/89/92/270208992.db2.gz DFHLLWYSTHMELW-IBGZPJMESA-N 1 3 286.463 3.392 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CCN1 ZINC000423394402 274393605 /nfs/dbraw/zinc/39/36/05/274393605.db2.gz ZOZBEPAFNWQHNM-IIYDPXPESA-N 1 3 283.419 3.275 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)C2 ZINC000423394340 274779036 /nfs/dbraw/zinc/77/90/36/274779036.db2.gz RHQXZPRRDLCOFW-DNNBLBMLSA-N 1 3 258.409 3.088 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000414798272 274949243 /nfs/dbraw/zinc/94/92/43/274949243.db2.gz QAACCWQEAGTOES-ZANVPECISA-N 1 3 290.304 3.062 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422946297 274951750 /nfs/dbraw/zinc/95/17/50/274951750.db2.gz OTAILFJILXOABC-GDBMZVCRSA-N 1 3 280.843 3.380 20 0 CGADHO C(CC1CCOCC1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000368635569 275390338 /nfs/dbraw/zinc/39/03/38/275390338.db2.gz ZJFSLDSYDLWISD-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC1CCOCC1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000368635569 275390339 /nfs/dbraw/zinc/39/03/39/275390339.db2.gz ZJFSLDSYDLWISD-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC1CCOCC1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000368635569 275390340 /nfs/dbraw/zinc/39/03/40/275390340.db2.gz ZJFSLDSYDLWISD-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO C(COC1CCCCC1)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491596 275394200 /nfs/dbraw/zinc/39/42/00/275394200.db2.gz SCLADLPXWHIVTA-OKZBNKHCSA-N 1 3 294.483 3.236 20 0 CGADHO C([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CCCNC1 ZINC000261583764 275395764 /nfs/dbraw/zinc/39/57/64/275395764.db2.gz RYHOUBYUEZNEET-GJZGRUSLSA-N 1 3 250.430 3.079 20 0 CGADHO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000102421811 275398870 /nfs/dbraw/zinc/39/88/70/275398870.db2.gz JDVCTNRXQLOTMZ-JBXOJTMHSA-N 1 3 270.420 3.164 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000102421811 275398871 /nfs/dbraw/zinc/39/88/71/275398871.db2.gz JDVCTNRXQLOTMZ-JBXOJTMHSA-N 1 3 270.420 3.164 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000102421811 275398872 /nfs/dbraw/zinc/39/88/72/275398872.db2.gz JDVCTNRXQLOTMZ-JBXOJTMHSA-N 1 3 270.420 3.164 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)CN1CCCC1 ZINC000081625358 275725042 /nfs/dbraw/zinc/72/50/42/275725042.db2.gz WWHZOWZYLPTTTH-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000273411377 276118174 /nfs/dbraw/zinc/11/81/74/276118174.db2.gz WHELYXQEQNCDKR-INIZCTEOSA-N 1 3 287.451 3.466 20 0 CGADHO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000443647326 276178850 /nfs/dbraw/zinc/17/88/50/276178850.db2.gz XOXNTXSOHLCENW-SJLPKXTDSA-N 1 3 294.483 3.021 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]CCCN2CCCC2)C1 ZINC000235375569 276186016 /nfs/dbraw/zinc/18/60/16/276186016.db2.gz QDUYWNBXMFTTBA-HOCLYGCPSA-N 1 3 250.430 3.054 20 0 CGADHO CCOCCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000422936498 276314417 /nfs/dbraw/zinc/31/44/17/276314417.db2.gz IJSUHTNUKQIVJH-SJORKVTESA-N 1 3 288.435 3.318 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414952022 276574396 /nfs/dbraw/zinc/57/43/96/276574396.db2.gz QKPNUEWDSNIOFD-DJIMGWMZSA-N 1 3 260.425 3.046 20 0 CGADHO CC[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000480599708 276584747 /nfs/dbraw/zinc/58/47/47/276584747.db2.gz CLVJXWWHORMPIQ-FMKPAKJESA-N 1 3 252.446 3.133 20 0 CGADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000459758152 276853959 /nfs/dbraw/zinc/85/39/59/276853959.db2.gz LFYDPQSYRSKYMX-XKQJLSEDSA-N 1 3 262.441 3.172 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423276364 277274957 /nfs/dbraw/zinc/27/49/57/277274957.db2.gz OHDNMPSQCRPJIV-DYVFJYSZSA-N 1 3 285.435 3.299 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358672454 277322923 /nfs/dbraw/zinc/32/29/23/277322923.db2.gz ZOSGQKNHIGKULA-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000358672454 277322925 /nfs/dbraw/zinc/32/29/25/277322925.db2.gz ZOSGQKNHIGKULA-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337363316 277392439 /nfs/dbraw/zinc/39/24/39/277392439.db2.gz AHQCAZJZXZQVQP-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000395166663 288006748 /nfs/dbraw/zinc/00/67/48/288006748.db2.gz XEYUQBKUMNAJPJ-MQVJKMGUSA-N 1 3 278.827 3.363 20 0 CGADHO CSCc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423103719 278140501 /nfs/dbraw/zinc/14/05/01/278140501.db2.gz GJWLUZLGMZJXQO-CVEARBPZSA-N 1 3 278.465 3.157 20 0 CGADHO CC1(C)CCC(C[NH2+][C@H]2CCNCC2(C)C)CC1 ZINC000261575064 278197262 /nfs/dbraw/zinc/19/72/62/278197262.db2.gz MWYNAGHXPCBFNN-AWEZNQCLSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@]1(C)CCCS1 ZINC000133929200 278218237 /nfs/dbraw/zinc/21/82/37/278218237.db2.gz PTCKRIFYKSRRKB-KFWWJZLASA-N 1 3 270.486 3.173 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423435915 278230192 /nfs/dbraw/zinc/23/01/92/278230192.db2.gz DUPVZPNNHCSEHL-ZIBATOQPSA-N 1 3 266.816 3.433 20 0 CGADHO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000340517758 278231971 /nfs/dbraw/zinc/23/19/71/278231971.db2.gz GFOCYRIPDZMYTA-ILXRZTDVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCCNC1 ZINC000414828008 278253589 /nfs/dbraw/zinc/25/35/89/278253589.db2.gz YRRYPQDGYDRBJD-ZFDZMSFRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccncc1F ZINC000340465704 278257391 /nfs/dbraw/zinc/25/73/91/278257391.db2.gz SIQMBVMPJYVWPE-HNNXBMFYSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](C[NH2+]C1CCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414784628 278283001 /nfs/dbraw/zinc/28/30/01/278283001.db2.gz SVOSNLAOZFZYMI-NSHDSACASA-N 1 3 286.341 3.151 20 0 CGADHO C[C@@H](CNC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000414784628 278283003 /nfs/dbraw/zinc/28/30/03/278283003.db2.gz SVOSNLAOZFZYMI-NSHDSACASA-N 1 3 286.341 3.151 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]CC1CCCCC1 ZINC000019912977 278332140 /nfs/dbraw/zinc/33/21/40/278332140.db2.gz BDDZRRSFAOLJMF-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H]1CCC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000086675280 278355076 /nfs/dbraw/zinc/35/50/76/278355076.db2.gz KDUUBJXOYSIOLG-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000423384478 278385371 /nfs/dbraw/zinc/38/53/71/278385371.db2.gz QGHCKAIVGYXVFL-BZPMIXESSA-N 1 3 278.465 3.418 20 0 CGADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCCCC1 ZINC000423328216 288046595 /nfs/dbraw/zinc/04/65/95/288046595.db2.gz LVYDGHYJFAFFDI-HOTGVXAUSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422741950 278511598 /nfs/dbraw/zinc/51/15/98/278511598.db2.gz FSHZELCYJIWHCH-KLHDSHLOSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H](C[NH2+]CCc1cccc(Cl)c1)CN1CCCC1 ZINC000459399335 288089013 /nfs/dbraw/zinc/08/90/13/288089013.db2.gz YYXBZOIWVBFKBU-AWEZNQCLSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@@H](CNCCc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000459399335 288089014 /nfs/dbraw/zinc/08/90/14/288089014.db2.gz YYXBZOIWVBFKBU-AWEZNQCLSA-N 1 3 280.843 3.204 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000423365122 279027285 /nfs/dbraw/zinc/02/72/85/279027285.db2.gz CWIRIBIMCZMMGN-VGWMRTNUSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2sccc21 ZINC000061360047 288107239 /nfs/dbraw/zinc/10/72/39/288107239.db2.gz PBZITTRBJPIWSN-QHSBEEBCSA-N 1 3 278.465 3.444 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2sccc21 ZINC000061360047 288107240 /nfs/dbraw/zinc/10/72/40/288107240.db2.gz PBZITTRBJPIWSN-QHSBEEBCSA-N 1 3 278.465 3.444 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1nccc2ccccc21)CN(C)C ZINC000293364234 279348780 /nfs/dbraw/zinc/34/87/80/279348780.db2.gz HORQVIZFVOCCIJ-KGLIPLIRSA-N 1 3 271.408 3.083 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000163222498 279395505 /nfs/dbraw/zinc/39/55/05/279395505.db2.gz OJEFQPPSRHQFSU-HOTGVXAUSA-N 1 3 274.452 3.284 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000423047649 279638043 /nfs/dbraw/zinc/63/80/43/279638043.db2.gz HKNKMFYPBXMFMV-JKSUJKDBSA-N 1 3 250.430 3.374 20 0 CGADHO CC(C)OCCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224996757 279661206 /nfs/dbraw/zinc/66/12/06/279661206.db2.gz QFFUIEPAPFSHHZ-HOTGVXAUSA-N 1 3 270.461 3.092 20 0 CGADHO C[C@H]1C[C@@H](NCC2=CC[NH2+]CC2)c2ccsc2S1 ZINC000335499798 279965833 /nfs/dbraw/zinc/96/58/33/279965833.db2.gz JWMMWHDDIFFSIQ-GXFFZTMASA-N 1 3 280.462 3.183 20 0 CGADHO C[C@]1(CN[C@H]2CCCc3ccccc32)CCC[NH2+]C1 ZINC000423346178 280159481 /nfs/dbraw/zinc/15/94/81/280159481.db2.gz ZLGMVCZFEVXNNC-IRXDYDNUSA-N 1 3 258.409 3.043 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCCc3ccccc32)CCCNC1 ZINC000423346178 280159484 /nfs/dbraw/zinc/15/94/84/280159484.db2.gz ZLGMVCZFEVXNNC-IRXDYDNUSA-N 1 3 258.409 3.043 20 0 CGADHO CC[C@@H]1C[C@@H](C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000503581444 280535474 /nfs/dbraw/zinc/53/54/74/280535474.db2.gz NPQJXFXDBNYMHE-DZGCQCFKSA-N 1 3 282.472 3.090 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000094322461 281033586 /nfs/dbraw/zinc/03/35/86/281033586.db2.gz TUWLFJOARXHANP-INIZCTEOSA-N 1 3 273.424 3.219 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)CC3 ZINC000414956202 281036000 /nfs/dbraw/zinc/03/60/00/281036000.db2.gz UZPDATXWLRQUSH-RBSFLKMASA-N 1 3 297.446 3.064 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268875724 281059587 /nfs/dbraw/zinc/05/95/87/281059587.db2.gz DNCYTINHZIDSBT-UNEWFSDZSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268875724 281059588 /nfs/dbraw/zinc/05/95/88/281059588.db2.gz DNCYTINHZIDSBT-UNEWFSDZSA-N 1 3 258.409 3.055 20 0 CGADHO CCc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)nc1 ZINC000549806057 289054421 /nfs/dbraw/zinc/05/44/21/289054421.db2.gz GJBALHRVZJTXKR-UHFFFAOYSA-N 1 3 289.467 3.196 20 0 CGADHO CCc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)nc1 ZINC000549806057 289054422 /nfs/dbraw/zinc/05/44/22/289054422.db2.gz GJBALHRVZJTXKR-UHFFFAOYSA-N 1 3 289.467 3.196 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000554113023 289260221 /nfs/dbraw/zinc/26/02/21/289260221.db2.gz QWUFDXDSZPYYEE-OXXUSNJHSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000193127754 290340140 /nfs/dbraw/zinc/34/01/40/290340140.db2.gz KIHBUTLLQMJDMY-MWDXBVQZSA-N 1 3 296.499 3.290 20 0 CGADHO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000423219224 295238620 /nfs/dbraw/zinc/23/86/20/295238620.db2.gz SXRUMACKFUKICL-QLFBSQMISA-N 1 3 276.424 3.042 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000422915322 295249095 /nfs/dbraw/zinc/24/90/95/295249095.db2.gz ATXNPNPPJCFTJV-YHUYYLMFSA-N 1 3 250.430 3.062 20 0 CGADHO C[C@H](CCCCO)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449427795 298394415 /nfs/dbraw/zinc/39/44/15/298394415.db2.gz PHOTYJMEWRNFPA-LZLYRXPVSA-N 1 3 296.499 3.170 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)o1 ZINC000251055678 301419341 /nfs/dbraw/zinc/41/93/41/301419341.db2.gz AXPXZEFWIALIKN-CORIIIEPSA-N 1 3 250.386 3.065 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422847212 303399844 /nfs/dbraw/zinc/39/98/44/303399844.db2.gz HSBHHPJKSSZNRT-RQJABVFESA-N 1 3 292.389 3.462 20 0 CGADHO C[C@H](CC1CC1)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000164294256 321900963 /nfs/dbraw/zinc/90/09/63/321900963.db2.gz NULRTWXXYHAMLA-HUUCEWRRSA-N 1 3 290.451 3.466 20 0 CGADHO CCCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000564657315 322037844 /nfs/dbraw/zinc/03/78/44/322037844.db2.gz YVNWSIBVMOCDCV-KBPBESRZSA-N 1 3 294.439 3.090 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000565226573 322067764 /nfs/dbraw/zinc/06/77/64/322067764.db2.gz OGIIIOUUJNFWOD-HUUCEWRRSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226573 322067766 /nfs/dbraw/zinc/06/77/66/322067766.db2.gz OGIIIOUUJNFWOD-HUUCEWRRSA-N 1 3 260.425 3.132 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)NCCC[NH2+]C(C)C ZINC000566088465 322103663 /nfs/dbraw/zinc/10/36/63/322103663.db2.gz RJRVFXHTSBNRSF-KRWDZBQOSA-N 1 3 262.441 3.294 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCNC(C)C ZINC000566088465 322103664 /nfs/dbraw/zinc/10/36/64/322103664.db2.gz RJRVFXHTSBNRSF-KRWDZBQOSA-N 1 3 262.441 3.294 20 0 CGADHO C[NH2+]CC1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000566226572 322109991 /nfs/dbraw/zinc/10/99/91/322109991.db2.gz ZNRXWKSCHQHCAJ-UHFFFAOYSA-N 1 3 298.833 3.343 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000567368895 322161010 /nfs/dbraw/zinc/16/10/10/322161010.db2.gz ITLDHKLFWAIRBB-WMLDXEAASA-N 1 3 290.451 3.466 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570696372 322280015 /nfs/dbraw/zinc/28/00/15/322280015.db2.gz LCLDZBZLBLLELL-RBSFLKMASA-N 1 3 278.465 3.417 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CCC1)CNCC2 ZINC000571572395 322302162 /nfs/dbraw/zinc/30/21/62/322302162.db2.gz LGOTZPSMEZRNLW-GOSISDBHSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCC1)CNCC2 ZINC000571572395 322302164 /nfs/dbraw/zinc/30/21/64/322302164.db2.gz LGOTZPSMEZRNLW-GOSISDBHSA-N 1 3 270.420 3.097 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000571902882 322311483 /nfs/dbraw/zinc/31/14/83/322311483.db2.gz SFZJMARKXAIJQM-CVEARBPZSA-N 1 3 250.430 3.195 20 0 CGADHO Cc1ccccc1-c1cccc(CN(C)CCC[NH3+])c1 ZINC000573206934 322375347 /nfs/dbraw/zinc/37/53/47/322375347.db2.gz VMEOEAOVUGKTIG-UHFFFAOYSA-N 1 3 268.404 3.443 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)C2CCC2)C1 ZINC000575072303 322471989 /nfs/dbraw/zinc/47/19/89/322471989.db2.gz XIPZYBVKFJBDHU-ZACQAIPSSA-N 1 3 258.409 3.387 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000582578311 329110063 /nfs/dbraw/zinc/11/00/63/329110063.db2.gz VIYHBLKFMYHKQN-JKSUJKDBSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000582578311 329110064 /nfs/dbraw/zinc/11/00/64/329110064.db2.gz VIYHBLKFMYHKQN-JKSUJKDBSA-N 1 3 296.817 3.238 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000584464126 329490701 /nfs/dbraw/zinc/49/07/01/329490701.db2.gz WPGKDISKRVUVOA-IMJJTQAJSA-N 1 3 290.455 3.138 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576172571 335164975 /nfs/dbraw/zinc/16/49/75/335164975.db2.gz QCUNONWGCWKXNR-HOTGVXAUSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)[C@@H]1CCCNC1 ZINC000576861395 335256713 /nfs/dbraw/zinc/25/67/13/335256713.db2.gz FQMQSLGZUUCWQR-ARFHVFGLSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000580563863 335286836 /nfs/dbraw/zinc/28/68/36/335286836.db2.gz FXJNMKZWFNRGKP-SOUVJXGZSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000580563863 335286838 /nfs/dbraw/zinc/28/68/38/335286838.db2.gz FXJNMKZWFNRGKP-SOUVJXGZSA-N 1 3 252.446 3.262 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000181676986 335778093 /nfs/dbraw/zinc/77/80/93/335778093.db2.gz GAMYJLIFUVSDMP-ZACQAIPSSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCSC1 ZINC000384103126 336122016 /nfs/dbraw/zinc/12/20/16/336122016.db2.gz FLFBGFWPAUSWRC-ILXRZTDVSA-N 1 3 270.486 3.030 20 0 CGADHO CCCC1CCC(N2CCC([NH2+]CC)CC2)CC1 ZINC000049545621 519895887 /nfs/dbraw/zinc/89/58/87/519895887.db2.gz KECMRZMRSPJHCL-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC1CCC([NH+]2CCC(NCC)CC2)CC1 ZINC000049545621 519895893 /nfs/dbraw/zinc/89/58/93/519895893.db2.gz KECMRZMRSPJHCL-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO COc1cccc2c(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)cccc12 ZINC000449168804 533840113 /nfs/dbraw/zinc/84/01/13/533840113.db2.gz FKKQQMYFAYTNEJ-HOCLYGCPSA-N 1 3 298.430 3.421 20 0 CGADHO COc1cccc2c(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)cccc12 ZINC000449168804 533840118 /nfs/dbraw/zinc/84/01/18/533840118.db2.gz FKKQQMYFAYTNEJ-HOCLYGCPSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530048 533994455 /nfs/dbraw/zinc/99/44/55/533994455.db2.gz PCFPVOPOLCFAMK-KBXCAEBGSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423361462 534000297 /nfs/dbraw/zinc/00/02/97/534000297.db2.gz GVUSSMUUGXYDLN-SRQBIAJPSA-N 1 3 258.409 3.038 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H](C[NH3+])C1CCCC1)CC2 ZINC000423500102 534439991 /nfs/dbraw/zinc/43/99/91/534439991.db2.gz CTCFFJWYJSOSMB-DLBZAZTESA-N 1 3 258.409 3.089 20 0 CGADHO CCCC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000050887288 521148738 /nfs/dbraw/zinc/14/87/38/521148738.db2.gz MELUOGISUGBFDZ-AWEZNQCLSA-N 1 3 261.413 3.219 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000081578939 521489887 /nfs/dbraw/zinc/48/98/87/521489887.db2.gz FVFCLGGERLRAEL-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000081578939 521489892 /nfs/dbraw/zinc/48/98/92/521489892.db2.gz FVFCLGGERLRAEL-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081578939 521489900 /nfs/dbraw/zinc/48/99/00/521489900.db2.gz FVFCLGGERLRAEL-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081578939 521489905 /nfs/dbraw/zinc/48/99/05/521489905.db2.gz FVFCLGGERLRAEL-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000037643707 521717635 /nfs/dbraw/zinc/71/76/35/521717635.db2.gz DBNLRYKVXFWCIJ-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC000037643707 521717637 /nfs/dbraw/zinc/71/76/37/521717637.db2.gz DBNLRYKVXFWCIJ-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC000037643707 521717638 /nfs/dbraw/zinc/71/76/38/521717638.db2.gz DBNLRYKVXFWCIJ-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826949 525389477 /nfs/dbraw/zinc/38/94/77/525389477.db2.gz AHJLSZITUQMVTN-RYUDHWBXSA-N 1 3 280.362 3.100 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423316697 527782695 /nfs/dbraw/zinc/78/26/95/527782695.db2.gz JYUGLBZPPWYOGX-RDTXWAMCSA-N 1 3 290.451 3.499 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000449246245 527826919 /nfs/dbraw/zinc/82/69/19/527826919.db2.gz DAWVPDFLQZOBME-NVXWUHKLSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000423378946 527829981 /nfs/dbraw/zinc/82/99/81/527829981.db2.gz XAQDWDDUPVORQJ-QXSJWSMHSA-N 1 3 252.446 3.451 20 0 CGADHO CC(C)O[C@@H](C[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000428253461 528056941 /nfs/dbraw/zinc/05/69/41/528056941.db2.gz QSCSJORBQUAIAQ-AEFFLSMTSA-N 1 3 290.451 3.036 20 0 CGADHO CC(C)O[C@@H](C[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000428253461 528056944 /nfs/dbraw/zinc/05/69/44/528056944.db2.gz QSCSJORBQUAIAQ-AEFFLSMTSA-N 1 3 290.451 3.036 20 0 CGADHO CCC[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449374784 528150907 /nfs/dbraw/zinc/15/09/07/528150907.db2.gz GGVSQIUBWDPUBF-KBAYOESNSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1Cl ZINC000424298071 528163279 /nfs/dbraw/zinc/16/32/79/528163279.db2.gz TVXVRAMMAQUFJJ-HUUCEWRRSA-N 1 3 296.842 3.487 20 0 CGADHO CC[NH2+]CC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000131490208 528290324 /nfs/dbraw/zinc/29/03/24/528290324.db2.gz OKDNOTYJTMNOTR-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO CC(C)Sc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423295540 528328750 /nfs/dbraw/zinc/32/87/50/528328750.db2.gz FBQFZSUBFAWGJP-STQMWFEESA-N 1 3 266.454 3.433 20 0 CGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN ZINC000423302317 528438016 /nfs/dbraw/zinc/43/80/16/528438016.db2.gz VLMDUFDOFYDAKR-XJKSGUPXSA-N 1 3 282.859 3.482 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423275103 528533443 /nfs/dbraw/zinc/53/34/43/528533443.db2.gz MVEIBFXLRFICNW-KXNHARMFSA-N 1 3 286.872 3.466 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423463170 528690644 /nfs/dbraw/zinc/69/06/44/528690644.db2.gz LFMJNALBLHKJCL-IHRRRGAJSA-N 1 3 264.413 3.252 20 0 CGADHO CCC(CC)C[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000153891489 528752401 /nfs/dbraw/zinc/75/24/01/528752401.db2.gz UVQPNMIYWWLSCS-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CCC(CC)C[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000153891489 528752406 /nfs/dbraw/zinc/75/24/06/528752406.db2.gz UVQPNMIYWWLSCS-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423399367 528987495 /nfs/dbraw/zinc/98/74/95/528987495.db2.gz VVNYAENLEMTGSM-NXHRZFHOSA-N 1 3 274.452 3.374 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(Cl)c1 ZINC000423260559 529173679 /nfs/dbraw/zinc/17/36/79/529173679.db2.gz HMSVOBHRJAJOSW-ZIAGYGMSSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@H](C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)OC ZINC000449404777 529247376 /nfs/dbraw/zinc/24/73/76/529247376.db2.gz WCGQUCJXBHOLAR-YJBOKZPZSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H](C)[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449404777 529247378 /nfs/dbraw/zinc/24/73/78/529247378.db2.gz WCGQUCJXBHOLAR-YJBOKZPZSA-N 1 3 296.499 3.434 20 0 CGADHO CCOc1cccc(C[NH2+]CCCN2CCCCC2)c1 ZINC000037678330 535457641 /nfs/dbraw/zinc/45/76/41/535457641.db2.gz LGUCBQNIZUSJFT-UHFFFAOYSA-N 1 3 276.424 3.051 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000469987678 535771132 /nfs/dbraw/zinc/77/11/32/535771132.db2.gz UGBVLVRZGIYXGX-MSOLQXFVSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000469987678 535771139 /nfs/dbraw/zinc/77/11/39/535771139.db2.gz UGBVLVRZGIYXGX-MSOLQXFVSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000469987678 535771143 /nfs/dbraw/zinc/77/11/43/535771143.db2.gz UGBVLVRZGIYXGX-MSOLQXFVSA-N 1 3 274.452 3.248 20 0 CGADHO CCc1cccc(C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000518197143 535886975 /nfs/dbraw/zinc/88/69/75/535886975.db2.gz CEOHRPZWMMUCML-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000493530473 536370467 /nfs/dbraw/zinc/37/04/67/536370467.db2.gz RWUZSRWJAHZOPY-OTWHNJEPSA-N 1 3 286.463 3.472 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493530469 536370681 /nfs/dbraw/zinc/37/06/81/536370681.db2.gz RWUZSRWJAHZOPY-GUDVDZBRSA-N 1 3 286.463 3.472 20 0 CGADHO Cc1cc(C)c(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166220820 572354983 /nfs/dbraw/zinc/35/49/83/572354983.db2.gz IKUDQHQKMFKBJC-ZWKOTPCHSA-N 1 3 286.463 3.371 20 0 CGADHO Cc1cc(C)c(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166220820 572354986 /nfs/dbraw/zinc/35/49/86/572354986.db2.gz IKUDQHQKMFKBJC-ZWKOTPCHSA-N 1 3 286.463 3.371 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050245247 618083143 /nfs/dbraw/zinc/08/31/43/618083143.db2.gz AMAIWTOWBCUQJB-MRXNPFEDSA-N 1 3 266.388 3.134 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000891611354 618241982 /nfs/dbraw/zinc/24/19/82/618241982.db2.gz LQVPORLLSBFUPB-UHFFFAOYSA-N 1 3 294.414 3.085 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000926421679 618656365 /nfs/dbraw/zinc/65/63/65/618656365.db2.gz ADGALNHNKDIWAO-UHFFFAOYSA-N 1 3 270.436 3.369 20 0 CGADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1ccccc1Cl ZINC000051919565 618666950 /nfs/dbraw/zinc/66/69/50/618666950.db2.gz QTSZZSHIKSMBPB-CYBMUJFWSA-N 1 3 266.816 3.162 20 0 CGADHO CCc1onc(C)c1CNCCCC[NH+]1CCC(C)CC1 ZINC000892589601 618868600 /nfs/dbraw/zinc/86/86/00/618868600.db2.gz SADSLALANZXLEL-UHFFFAOYSA-N 1 3 293.455 3.147 20 0 CGADHO CCOc1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000892588335 618868654 /nfs/dbraw/zinc/86/86/54/618868654.db2.gz FCLMLDDJMLUVMC-UHFFFAOYSA-N 1 3 294.439 3.280 20 0 CGADHO CCc1onc(C)c1CNCCCCC[NH+]1CCCCC1 ZINC000892881432 618947975 /nfs/dbraw/zinc/94/79/75/618947975.db2.gz AKMMWGNQMKHETL-UHFFFAOYSA-N 1 3 293.455 3.291 20 0 CGADHO C1CCC([C@H]2CNCC[C@@H]2[NH2+]C2CCCCC2)C1 ZINC000925501540 618989322 /nfs/dbraw/zinc/98/93/22/618989322.db2.gz IMPALASZCZVLCQ-CVEARBPZSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1nc2c(s1)[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925633522 619098530 /nfs/dbraw/zinc/09/85/30/619098530.db2.gz YFIHDCVYUCJNGG-YRGRVCCFSA-N 1 3 293.480 3.325 20 0 CGADHO [NH3+][C@H]1C[C@H](NC2CC(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925663700 619117783 /nfs/dbraw/zinc/11/77/83/619117783.db2.gz WXRJRXVTSNWHJK-UAOKOLBASA-N 1 3 290.838 3.446 20 0 CGADHO C[C@@]1(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C[C@]1(F)Cl ZINC000925714170 619159519 /nfs/dbraw/zinc/15/95/19/619159519.db2.gz WGEVRHCJTHEWLZ-BUONHZGMSA-N 1 3 288.838 3.057 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1 ZINC000925720010 619164971 /nfs/dbraw/zinc/16/49/71/619164971.db2.gz COHICAKCPJTIPK-GWCDLVAZSA-N 1 3 258.409 3.101 20 0 CGADHO CCSc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000925733101 619207343 /nfs/dbraw/zinc/20/73/43/619207343.db2.gz SIIHPXLFLGTMHH-BBRMVZONSA-N 1 3 278.465 3.276 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)s1 ZINC000925777317 619240430 /nfs/dbraw/zinc/24/04/30/619240430.db2.gz DEKPLDFOERHYTF-MNOVXSKESA-N 1 3 288.407 3.206 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000925828787 619281500 /nfs/dbraw/zinc/28/15/00/619281500.db2.gz ZYUSPCMNJQDDGX-BNOWGMLFSA-N 1 3 250.361 3.055 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1cnc2ccccc2c1 ZINC000925834910 619286412 /nfs/dbraw/zinc/28/64/12/619286412.db2.gz JEMREFHTLQRORP-SJLPKXTDSA-N 1 3 283.419 3.027 20 0 CGADHO CSc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894780208 619634152 /nfs/dbraw/zinc/63/41/52/619634152.db2.gz ZTBYPUWSLOLVTO-CQSZACIVSA-N 1 3 294.464 3.165 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783884 619635135 /nfs/dbraw/zinc/63/51/35/619635135.db2.gz ZJGZIMKBWSCOJY-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783884 619635137 /nfs/dbraw/zinc/63/51/37/619635137.db2.gz ZJGZIMKBWSCOJY-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+](CCCC[NH2+]Cc1cc([O-])cc(Cl)c1)C1CC1 ZINC000894806732 619640449 /nfs/dbraw/zinc/64/04/49/619640449.db2.gz JRFMFZSZADGWHP-UHFFFAOYSA-N 1 3 282.815 3.010 20 0 CGADHO C[N@@H+](CCCC[NH2+]Cc1cc([O-])cc(Cl)c1)C1CC1 ZINC000894806732 619640451 /nfs/dbraw/zinc/64/04/51/619640451.db2.gz JRFMFZSZADGWHP-UHFFFAOYSA-N 1 3 282.815 3.010 20 0 CGADHO C[NH+]1CCC(CN2CCc3cccc(Cl)c3C2)CC1 ZINC000894854861 619653291 /nfs/dbraw/zinc/65/32/91/619653291.db2.gz MSGNTXWMMGEOLY-UHFFFAOYSA-N 1 3 278.827 3.040 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895291684 619796950 /nfs/dbraw/zinc/79/69/50/619796950.db2.gz AXEOFTUTHVAAMM-ZACQAIPSSA-N 1 3 289.467 3.346 20 0 CGADHO CC[C@@H]1C[C@H](C[NH+]2CCC(CC)(N3CCC3)CC2)CCO1 ZINC000895828504 619890308 /nfs/dbraw/zinc/89/03/08/619890308.db2.gz VPUYFPJKQVUVQX-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc([O-])c(F)c1 ZINC000896028761 619935144 /nfs/dbraw/zinc/93/51/44/619935144.db2.gz WUJUBHXIONPOFE-UHFFFAOYSA-N 1 3 294.414 3.229 20 0 CGADHO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc([O-])c(F)c1 ZINC000896028761 619935146 /nfs/dbraw/zinc/93/51/46/619935146.db2.gz WUJUBHXIONPOFE-UHFFFAOYSA-N 1 3 294.414 3.229 20 0 CGADHO Cc1cc(CN(C)CCCC[NH+]2CCCCC2)cnc1F ZINC000896028187 619935161 /nfs/dbraw/zinc/93/51/61/619935161.db2.gz PNHYYJZJGRNWCQ-UHFFFAOYSA-N 1 3 293.430 3.227 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC000902390905 621302313 /nfs/dbraw/zinc/30/23/13/621302313.db2.gz QYIRUNRFELSAMF-DUVNUKRYSA-N 1 3 276.399 3.049 20 0 CGADHO Cc1nc(-c2cc([C@H](C)[NH2+]CC3(N)CC3)cs2)cs1 ZINC000902415106 621324538 /nfs/dbraw/zinc/32/45/38/621324538.db2.gz AOMGWRALWPZJCE-VIFPVBQESA-N 1 3 293.461 3.322 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000902872003 621475292 /nfs/dbraw/zinc/47/52/92/621475292.db2.gz WAXQRDIFIFVOSZ-HSFUPAIVSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903075548 621558900 /nfs/dbraw/zinc/55/89/00/621558900.db2.gz ZEHQHJZZKYTYSF-JATKITJMSA-N 1 3 290.476 3.427 20 0 CGADHO C[C@H](Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075548 621558905 /nfs/dbraw/zinc/55/89/05/621558905.db2.gz ZEHQHJZZKYTYSF-JATKITJMSA-N 1 3 290.476 3.427 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCOCC1 ZINC000903069816 621567731 /nfs/dbraw/zinc/56/77/31/621567731.db2.gz JWSUFIYQVDIABX-AEFFLSMTSA-N 1 3 296.499 3.149 20 0 CGADHO C[NH+](C)CC[C@@H](NC1CCC2(CC2)CC1)c1cccnc1 ZINC000903378891 621721205 /nfs/dbraw/zinc/72/12/05/621721205.db2.gz FDODMIPAZYOZEK-QGZVFWFLSA-N 1 3 287.451 3.387 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CCC[C@@H]2C[C@@]21C)c1cccnc1 ZINC000903379646 621722543 /nfs/dbraw/zinc/72/25/43/621722543.db2.gz HPYIUBMPABTSEL-XDNAFOTISA-N 1 3 287.451 3.243 20 0 CGADHO C[C@H](c1nc2ccccc2s1)N(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440726 621749961 /nfs/dbraw/zinc/74/99/61/621749961.db2.gz APMCAEQWCPJAPU-UPJWGTAASA-N 1 3 289.448 3.417 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC000903474530 621763499 /nfs/dbraw/zinc/76/34/99/621763499.db2.gz NSIXYINCNPURMA-WCQYABFASA-N 1 3 298.352 3.191 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](N)CC(F)F ZINC000903883024 621826324 /nfs/dbraw/zinc/82/63/24/621826324.db2.gz DLWCOSGJAYGIDX-JSGCOSHPSA-N 1 3 268.351 3.114 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](N)CC(F)F ZINC000903883024 621826326 /nfs/dbraw/zinc/82/63/26/621826326.db2.gz DLWCOSGJAYGIDX-JSGCOSHPSA-N 1 3 268.351 3.114 20 0 CGADHO COc1ccccc1[C@@H](NC1CC(C[NH3+])C1)c1ccccc1 ZINC000904360873 621912342 /nfs/dbraw/zinc/91/23/42/621912342.db2.gz QZCSUXSTJXQXOJ-KJXMEXGPSA-N 1 3 296.414 3.112 20 0 CGADHO CN(C)[C@@H](CNC[C@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367759 621913414 /nfs/dbraw/zinc/91/34/14/621913414.db2.gz HYOZVWOKWWWIRS-SJORKVTESA-N 1 3 291.483 3.033 20 0 CGADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000904374384 621914918 /nfs/dbraw/zinc/91/49/18/621914918.db2.gz RROOHTFFPBCDEF-PMPSAXMXSA-N 1 3 282.472 3.031 20 0 CGADHO CCOc1cccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000158168647 623010681 /nfs/dbraw/zinc/01/06/81/623010681.db2.gz ORPFMUOHPRTNEH-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1cccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000158168647 623010689 /nfs/dbraw/zinc/01/06/89/623010689.db2.gz ORPFMUOHPRTNEH-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO CSc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000020087859 625972940 /nfs/dbraw/zinc/97/29/40/625972940.db2.gz FFPBAWKVOSWMSS-UHFFFAOYSA-N 1 3 266.454 3.086 20 0 CGADHO CCC(CC)CN[C@H](CC[NH+](C)C)c1cccnc1 ZINC000922630141 626022354 /nfs/dbraw/zinc/02/23/54/626022354.db2.gz NCGBNAVSYYCPDM-MRXNPFEDSA-N 1 3 263.429 3.100 20 0 CGADHO CC(C)c1c[nH]c(CNC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922846016 626057282 /nfs/dbraw/zinc/05/72/82/626057282.db2.gz JWUXMOWSMDBSDB-UHFFFAOYSA-N 1 3 290.455 3.030 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000086889047 626129995 /nfs/dbraw/zinc/12/99/95/626129995.db2.gz AXNWILQCCNDEMQ-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)Oc1ccc(CN2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000923481348 626157046 /nfs/dbraw/zinc/15/70/46/626157046.db2.gz QOGBGBKBEGVITA-ZDUSSCGKSA-N 1 3 296.842 3.298 20 0 CGADHO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CCCNC1CC1 ZINC000923531753 626161458 /nfs/dbraw/zinc/16/14/58/626161458.db2.gz UYNPUXGPVXNIDY-INIZCTEOSA-N 1 3 278.465 3.287 20 0 CGADHO C[C@@]1(Cc2cccs2)CCC[N@H+]1CCCNC1CC1 ZINC000923531753 626161461 /nfs/dbraw/zinc/16/14/61/626161461.db2.gz UYNPUXGPVXNIDY-INIZCTEOSA-N 1 3 278.465 3.287 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000755208525 626607276 /nfs/dbraw/zinc/60/72/76/626607276.db2.gz ZNMKIERKYSFHKD-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)[NH+](CCCNC1CC(C(F)F)C1)C(C)C ZINC000768695260 627493973 /nfs/dbraw/zinc/49/39/73/627493973.db2.gz FRWPPUOPVUSDAA-UHFFFAOYSA-N 1 3 262.388 3.129 20 0 CGADHO c1ccc(-c2ccccc2CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000770393142 627616724 /nfs/dbraw/zinc/61/67/24/627616724.db2.gz AVJMXUUQMWWQIY-QZTJIDSGSA-N 1 3 278.399 3.005 20 0 CGADHO CC(C)C(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000808708703 630667832 /nfs/dbraw/zinc/66/78/32/630667832.db2.gz MUUJPKLMJJSFBJ-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@H](CSC(C)(C)C)NCC1([NH3+])CCCCC1 ZINC000817938519 632239434 /nfs/dbraw/zinc/23/94/34/632239434.db2.gz MBFFSPZHKZYEDE-GFCCVEGCSA-N 1 3 258.475 3.158 20 0 CGADHO [NH3+]CCc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000817949071 632245193 /nfs/dbraw/zinc/24/51/93/632245193.db2.gz NJCKFUQLMOCYLL-IBGZPJMESA-N 1 3 296.414 3.061 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817948762 632245755 /nfs/dbraw/zinc/24/57/55/632245755.db2.gz LFZDCDXQPQPSRI-OAHLLOKOSA-N 1 3 298.430 3.356 20 0 CGADHO CC(C)C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccccn1 ZINC000817950272 632247032 /nfs/dbraw/zinc/24/70/32/632247032.db2.gz XPMKISRPQUMZIL-IBGZPJMESA-N 1 3 297.446 3.460 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000817961383 632257929 /nfs/dbraw/zinc/25/79/29/632257929.db2.gz XXJHDAKKIGWESK-UPJWGTAASA-N 1 3 258.475 3.014 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866259348 633048255 /nfs/dbraw/zinc/04/82/55/633048255.db2.gz APESSIQYLJRXQD-AEFFLSMTSA-N 1 3 289.467 3.113 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1cncc2ccccc21)CN(C)C ZINC000866365986 633103533 /nfs/dbraw/zinc/10/35/33/633103533.db2.gz WJERGLYDROVZKR-HOTGVXAUSA-N 1 3 299.462 3.343 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000866706580 633234245 /nfs/dbraw/zinc/23/42/45/633234245.db2.gz OWEYPNAVGVJNLS-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000866706580 633234249 /nfs/dbraw/zinc/23/42/49/633234249.db2.gz OWEYPNAVGVJNLS-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705351 633234581 /nfs/dbraw/zinc/23/45/81/633234581.db2.gz YLKHUIPRBUGUMQ-RHSMWYFYSA-N 1 3 260.425 3.445 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705351 633234586 /nfs/dbraw/zinc/23/45/86/633234586.db2.gz YLKHUIPRBUGUMQ-RHSMWYFYSA-N 1 3 260.425 3.445 20 0 CGADHO CC1(C)[C@H](c2ccccc2F)CCN1C[C@@H]1CC[NH2+]C1 ZINC000866702724 633234936 /nfs/dbraw/zinc/23/49/36/633234936.db2.gz FTCNPHOPVODZEO-HIFRSBDPSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872017798 633937980 /nfs/dbraw/zinc/93/79/80/633937980.db2.gz DZFLXLQJPAXUTI-ZACQAIPSSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([O-])c1F ZINC000872072520 633994797 /nfs/dbraw/zinc/99/47/97/633994797.db2.gz HMGAGUHPQZBQGW-CQSZACIVSA-N 1 3 294.414 3.448 20 0 CGADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc([O-])c1F ZINC000872079515 634002668 /nfs/dbraw/zinc/00/26/68/634002668.db2.gz ZCQPZZLOENRAGJ-LBPRGKRZSA-N 1 3 280.387 3.056 20 0 CGADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([O-])c1F ZINC000872079515 634002674 /nfs/dbraw/zinc/00/26/74/634002674.db2.gz ZCQPZZLOENRAGJ-LBPRGKRZSA-N 1 3 280.387 3.056 20 0 CGADHO CCC(C)(CC)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873206484 634284946 /nfs/dbraw/zinc/28/49/46/634284946.db2.gz FYQHEIWZEJMQQA-UHFFFAOYSA-N 1 3 252.427 3.062 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252952 634302615 /nfs/dbraw/zinc/30/26/15/634302615.db2.gz SXUJFRUBPFITBG-FQUUOJAGSA-N 1 3 290.373 3.238 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000841055513 635115451 /nfs/dbraw/zinc/11/54/51/635115451.db2.gz OVYHXYPULNNNMZ-ZIAGYGMSSA-N 1 3 298.377 3.264 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3ccncc3Cl)CC2)CC1 ZINC000877683782 635144780 /nfs/dbraw/zinc/14/47/80/635144780.db2.gz IKXKMCPHPWIGJX-UHFFFAOYSA-N 1 3 293.842 3.043 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159815 635385712 /nfs/dbraw/zinc/38/57/12/635385712.db2.gz WSRCBKZVIQUCPM-JKSUJKDBSA-N 1 3 296.499 3.244 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159815 635385719 /nfs/dbraw/zinc/38/57/19/635385719.db2.gz WSRCBKZVIQUCPM-JKSUJKDBSA-N 1 3 296.499 3.244 20 0 CGADHO Cc1cncc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)c1 ZINC000879749748 635853590 /nfs/dbraw/zinc/85/35/90/635853590.db2.gz KYCNBXLUCWEOKG-IRXDYDNUSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)c1 ZINC000879749748 635853595 /nfs/dbraw/zinc/85/35/95/635853595.db2.gz KYCNBXLUCWEOKG-IRXDYDNUSA-N 1 3 273.424 3.011 20 0 CGADHO COC[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000883320794 636672724 /nfs/dbraw/zinc/67/27/24/636672724.db2.gz VUSRCINCEWWNSX-XYVMCAHJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434406 637060675 /nfs/dbraw/zinc/06/06/75/637060675.db2.gz XMSGLULKXIQSBX-GJZGRUSLSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434406 637060677 /nfs/dbraw/zinc/06/06/77/637060677.db2.gz XMSGLULKXIQSBX-GJZGRUSLSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(C(C)(C)C)s1 ZINC000215984046 637106305 /nfs/dbraw/zinc/10/63/05/637106305.db2.gz VECVBUPHYOMNSF-VXGBXAGGSA-N 1 3 266.454 3.215 20 0 CGADHO Fc1cccc(/C=C/C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000885926941 637314013 /nfs/dbraw/zinc/31/40/13/637314013.db2.gz KYAMZLCCLQWUSB-DUXPYHPUSA-N 1 3 288.410 3.303 20 0 CGADHO NCCC[N@H+](CCC1SCCS1)CC1CCCC1 ZINC000853022560 637736842 /nfs/dbraw/zinc/73/68/42/637736842.db2.gz AXWLLFAPBKSKGG-UHFFFAOYSA-N 1 3 288.526 3.024 20 0 CGADHO NCCC[N@@H+](CCC1SCCS1)CC1CCCC1 ZINC000853022560 637736848 /nfs/dbraw/zinc/73/68/48/637736848.db2.gz AXWLLFAPBKSKGG-UHFFFAOYSA-N 1 3 288.526 3.024 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000924752377 638399575 /nfs/dbraw/zinc/39/95/75/638399575.db2.gz NHLXWGDDKORSRV-DZGCQCFKSA-N 1 3 252.446 3.133 20 0 CGADHO Fc1cccc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925521803 638517890 /nfs/dbraw/zinc/51/78/90/638517890.db2.gz WPXPFIBGYOWEQT-ZWKOTPCHSA-N 1 3 290.426 3.126 20 0 CGADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925522113 638518038 /nfs/dbraw/zinc/51/80/38/638518038.db2.gz FMIDVJXIWSRIGH-JJXSEGSLSA-N 1 3 282.497 3.028 20 0 CGADHO FC1(F)CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925627915 638548778 /nfs/dbraw/zinc/54/87/78/638548778.db2.gz BVUJYCGUKMDWDX-GJZGRUSLSA-N 1 3 286.410 3.322 20 0 CGADHO CC1(C)[C@H]([NH2+]CCCc2cccs2)[C@@H]2CCCN[C@@H]21 ZINC000925632644 638550177 /nfs/dbraw/zinc/55/01/77/638550177.db2.gz XERWZWMYVUGROL-ZNMIVQPWSA-N 1 3 278.465 3.047 20 0 CGADHO CC1(C)[C@H](NCCCc2cccs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632644 638550184 /nfs/dbraw/zinc/55/01/84/638550184.db2.gz XERWZWMYVUGROL-ZNMIVQPWSA-N 1 3 278.465 3.047 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@@H](c3ccccc3)C1(C)C)[NH2+]2 ZINC000925722760 638581813 /nfs/dbraw/zinc/58/18/13/638581813.db2.gz LCDVGJIJCZRQRQ-KCGIUVKQSA-N 1 3 284.447 3.297 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000925739981 638591698 /nfs/dbraw/zinc/59/16/98/638591698.db2.gz DAVSGOMPACGBAL-JTQLQIEISA-N 1 3 290.329 3.363 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000925739982 638592030 /nfs/dbraw/zinc/59/20/30/638592030.db2.gz DAVSGOMPACGBAL-SNVBAGLBSA-N 1 3 290.329 3.363 20 0 CGADHO Fc1ccc([C@H]([NH2+]C[C@@H]2CNCCC2(F)F)C2CC2)cc1 ZINC000925786644 638614705 /nfs/dbraw/zinc/61/47/05/638614705.db2.gz XNRMYUYHWYKYCE-DZGCQCFKSA-N 1 3 298.352 3.111 20 0 CGADHO C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000925792821 638614797 /nfs/dbraw/zinc/61/47/97/638614797.db2.gz WJCDRURNOYMQCR-CLCXKQKWSA-N 1 3 295.430 3.255 20 0 CGADHO C[C@H]([NH3+])[C@H](NCC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800995 638616304 /nfs/dbraw/zinc/61/63/04/638616304.db2.gz HXNYONBJHXHPHF-PPHJYPGKSA-N 1 3 290.476 3.339 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838160 638628619 /nfs/dbraw/zinc/62/86/19/638628619.db2.gz KXSVOEMZIAAOTM-LVQVYYBASA-N 1 3 294.389 3.142 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838160 638628622 /nfs/dbraw/zinc/62/86/22/638628622.db2.gz KXSVOEMZIAAOTM-LVQVYYBASA-N 1 3 294.389 3.142 20 0 CGADHO Cc1ncsc1CCNC1CC[NH+](CCC(C)C)CC1 ZINC000926520774 638781104 /nfs/dbraw/zinc/78/11/04/638781104.db2.gz WFXCAXGOAOFYPA-UHFFFAOYSA-N 1 3 295.496 3.094 20 0 CGADHO Cc1ncsc1CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926520774 638781106 /nfs/dbraw/zinc/78/11/06/638781106.db2.gz WFXCAXGOAOFYPA-UHFFFAOYSA-N 1 3 295.496 3.094 20 0 CGADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc([O-])cc(F)c1 ZINC000926557585 638785083 /nfs/dbraw/zinc/78/50/83/638785083.db2.gz CSTZOEDGBOFPMR-LBPRGKRZSA-N 1 3 280.387 3.056 20 0 CGADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc([O-])cc(F)c1 ZINC000926557585 638785084 /nfs/dbraw/zinc/78/50/84/638785084.db2.gz CSTZOEDGBOFPMR-LBPRGKRZSA-N 1 3 280.387 3.056 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926752567 638807074 /nfs/dbraw/zinc/80/70/74/638807074.db2.gz AUJDALBOXCAJCB-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000926778852 638810505 /nfs/dbraw/zinc/81/05/05/638810505.db2.gz OOCRIXADSQAIGE-HNNXBMFYSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000926795071 638812686 /nfs/dbraw/zinc/81/26/86/638812686.db2.gz OUXJQWDAINURLW-OLJMKKDRSA-N 1 3 294.414 3.445 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000929998713 638967276 /nfs/dbraw/zinc/96/72/76/638967276.db2.gz GAIZRSOALHZWBK-BBWFWOEESA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000929998713 638967278 /nfs/dbraw/zinc/96/72/78/638967278.db2.gz GAIZRSOALHZWBK-BBWFWOEESA-N 1 3 294.483 3.140 20 0 CGADHO C[NH+]1C[C@]2(C)CN(CCCc3cccc(F)c3)C[C@@]2(C)C1 ZINC000931311843 639132872 /nfs/dbraw/zinc/13/28/72/639132872.db2.gz QEKQEEVKTRHUBH-QZTJIDSGSA-N 1 3 290.426 3.032 20 0 CGADHO Cc1cnccc1Nc1cnccc1[C@H]1C[C@H]([NH3+])C[C@@H](C)C1 ZINC001159383521 806093312 /nfs/dbraw/zinc/09/33/12/806093312.db2.gz JDBKCLHGMFELDM-NWANDNLSSA-N 1 3 296.418 3.181 20 0 CGADHO Cc1cc(N2CCN(C3CCC(F)(F)CC3)CC2)cc[nH+]1 ZINC001254232682 806372478 /nfs/dbraw/zinc/37/24/78/806372478.db2.gz WUMGKRJNBGGKCK-UHFFFAOYSA-N 1 3 295.377 3.090 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505923 806425426 /nfs/dbraw/zinc/42/54/26/806425426.db2.gz LXIAVQDUUJKWHL-ZBFHGGJFSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505923 806425431 /nfs/dbraw/zinc/42/54/31/806425431.db2.gz LXIAVQDUUJKWHL-ZBFHGGJFSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510772 806431570 /nfs/dbraw/zinc/43/15/70/806431570.db2.gz QKSDGEBFXMKSQH-RDJZCZTQSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510772 806431575 /nfs/dbraw/zinc/43/15/75/806431575.db2.gz QKSDGEBFXMKSQH-RDJZCZTQSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC(Oc3ccccc3)CC2)CC1 ZINC001254516760 806437106 /nfs/dbraw/zinc/43/71/06/806437106.db2.gz OVCVDFASPSLRKN-INIZCTEOSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC(Oc3ccccc3)CC2)CC1 ZINC001254516760 806437113 /nfs/dbraw/zinc/43/71/13/806437113.db2.gz OVCVDFASPSLRKN-INIZCTEOSA-N 1 3 288.435 3.014 20 0 CGADHO Cc1nc(NC[C@]2(CC3CC3)CCC[NH2+]2)cc2[nH]ccc21 ZINC001162353209 806562896 /nfs/dbraw/zinc/56/28/96/806562896.db2.gz KWVYNRNDKOMWLR-QGZVFWFLSA-N 1 3 284.407 3.206 20 0 CGADHO Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc(Cl)n1 ZINC000401913330 799559284 /nfs/dbraw/zinc/55/92/84/799559284.db2.gz YPUIFAVVBHUQFE-GOOCMWNKSA-N 1 3 293.842 3.148 20 0 CGADHO CCCC[C@@H](CC)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403312331 799565348 /nfs/dbraw/zinc/56/53/48/799565348.db2.gz YZCNRTMIPLXOIH-CHWSQXEVSA-N 1 3 262.388 3.119 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@H+](C)CCCN1CCCC1 ZINC001255851725 806768749 /nfs/dbraw/zinc/76/87/49/806768749.db2.gz VJAJZUVEGSRLFE-OAHLLOKOSA-N 1 3 278.415 3.174 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@@H+](C)CCCN1CCCC1 ZINC001255851725 806768752 /nfs/dbraw/zinc/76/87/52/806768752.db2.gz VJAJZUVEGSRLFE-OAHLLOKOSA-N 1 3 278.415 3.174 20 0 CGADHO CC(C)C[N@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000687964251 799742903 /nfs/dbraw/zinc/74/29/03/799742903.db2.gz WAVFAJGYVMOTON-UHFFFAOYSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)C[N@@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000687964251 799742908 /nfs/dbraw/zinc/74/29/08/799742908.db2.gz WAVFAJGYVMOTON-UHFFFAOYSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCCC(F)(F)F)N(C)C ZINC000697825040 799849825 /nfs/dbraw/zinc/84/98/25/799849825.db2.gz DUNYDRATQQYITI-WDEREUQCSA-N 1 3 254.340 3.037 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+]CC[C@H](C)N(C)C ZINC000697825034 799850723 /nfs/dbraw/zinc/85/07/23/799850723.db2.gz DUNYDRATQQYITI-MNOVXSKESA-N 1 3 254.340 3.037 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1ncccc1C ZINC001255941926 806789444 /nfs/dbraw/zinc/78/94/44/806789444.db2.gz ZOLPPDWBOWLTDQ-INIZCTEOSA-N 1 3 277.456 3.033 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC001255950579 806795838 /nfs/dbraw/zinc/79/58/38/806795838.db2.gz ATPALHVLQJSLNI-NVXWUHKLSA-N 1 3 274.452 3.426 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)c1ncccc1C ZINC001255952498 806795893 /nfs/dbraw/zinc/79/58/93/806795893.db2.gz NHFZKTTZPVIEID-INIZCTEOSA-N 1 3 291.483 3.378 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956065 806797989 /nfs/dbraw/zinc/79/79/89/806797989.db2.gz GPGVNYDXORWTOA-MELADBBJSA-N 1 3 274.399 3.084 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956065 806797994 /nfs/dbraw/zinc/79/79/94/806797994.db2.gz GPGVNYDXORWTOA-MELADBBJSA-N 1 3 274.399 3.084 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001255956065 806797998 /nfs/dbraw/zinc/79/79/98/806797998.db2.gz GPGVNYDXORWTOA-MELADBBJSA-N 1 3 274.399 3.084 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716715519 800178691 /nfs/dbraw/zinc/17/86/91/800178691.db2.gz CIUNHLPCHVDAMN-XXQMMXQMSA-N 1 3 284.447 3.285 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924572662 800626151 /nfs/dbraw/zinc/62/61/51/800626151.db2.gz SJLCNNXMMAXUBD-KLHKWILBSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CC[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC001256363193 806868928 /nfs/dbraw/zinc/86/89/28/806868928.db2.gz DZWDZURTZWKXND-HNNXBMFYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)OC1CC[NH+](C2CCN(C(C)(C)C)CC2)CC1 ZINC001256571675 806919387 /nfs/dbraw/zinc/91/93/87/806919387.db2.gz JJXRBPFWIYSWSA-UHFFFAOYSA-N 1 3 282.472 3.139 20 0 CGADHO CC(C)CC[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681795 806947556 /nfs/dbraw/zinc/94/75/56/806947556.db2.gz CMZSDAJWCIWNFS-GTPINHCMSA-N 1 3 282.472 3.044 20 0 CGADHO CC1(C)CC[C@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256685394 806948458 /nfs/dbraw/zinc/94/84/58/806948458.db2.gz DUXHOVZSMXVYRL-GTPINHCMSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[N@H+]([C@H](C)CC)C1CCC(N2CCOCC2)CC1 ZINC001256689298 806949361 /nfs/dbraw/zinc/94/93/61/806949361.db2.gz TWWKYNLNAGTPEX-KLAILNCOSA-N 1 3 282.472 3.140 20 0 CGADHO CCC[N@@H+]([C@H](C)CC)C1CCC(N2CCOCC2)CC1 ZINC001256689298 806949365 /nfs/dbraw/zinc/94/93/65/806949365.db2.gz TWWKYNLNAGTPEX-KLAILNCOSA-N 1 3 282.472 3.140 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)CCC3)CC1 ZINC001116755439 802406475 /nfs/dbraw/zinc/40/64/75/802406475.db2.gz IMPXHPSUXQRVFG-UHFFFAOYSA-N 1 3 284.447 3.236 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CCC3)CC1 ZINC001116755439 802406478 /nfs/dbraw/zinc/40/64/78/802406478.db2.gz IMPXHPSUXQRVFG-UHFFFAOYSA-N 1 3 284.447 3.236 20 0 CGADHO Fc1ccc(C2CC([NH2+]CCCN3CCCC3)C2)c(F)c1 ZINC001120037619 802728271 /nfs/dbraw/zinc/72/82/71/802728271.db2.gz IIEJBHRQEGPZPA-UHFFFAOYSA-N 1 3 294.389 3.286 20 0 CGADHO NCc1cc2ccncc2n1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908610 807007916 /nfs/dbraw/zinc/00/79/16/807007916.db2.gz PJHCMPAIBTVBMU-MRXNPFEDSA-N 1 3 298.434 3.075 20 0 CGADHO NCc1cc2ccncc2n1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908610 807007923 /nfs/dbraw/zinc/00/79/23/807007923.db2.gz PJHCMPAIBTVBMU-MRXNPFEDSA-N 1 3 298.434 3.075 20 0 CGADHO Fc1ccc(/C=C/C2CC[NH2+]CC2)cc1CN1CCCC1 ZINC001243896175 803066253 /nfs/dbraw/zinc/06/62/53/803066253.db2.gz HSCVIJVYNJPIBF-ONEGZZNKSA-N 1 3 288.410 3.434 20 0 CGADHO C(=C/C1CC[NH2+]CC1)\c1cncc(CN2CCCCC2)c1 ZINC001243897879 803067455 /nfs/dbraw/zinc/06/74/55/803067455.db2.gz ZEYSRDIUWLEWEW-SNAWJCMRSA-N 1 3 285.435 3.080 20 0 CGADHO c1ccc(C2=CNCCC2)c(C[NH+]2CCCCC2)c1 ZINC001243953021 803097616 /nfs/dbraw/zinc/09/76/16/803097616.db2.gz SBSXBYFRVDXMNI-UHFFFAOYSA-N 1 3 256.393 3.397 20 0 CGADHO CC(C)c1cccc(CN2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206808047 813443090 /nfs/dbraw/zinc/44/30/90/813443090.db2.gz JPYXHVUNNKVBSF-GDBMZVCRSA-N 1 3 260.425 3.369 20 0 CGADHO Nc1nc2cc(-c3ccc([C@H]4CCC[NH2+]4)cc3)ccc2[nH]1 ZINC001245355670 803710788 /nfs/dbraw/zinc/71/07/88/803710788.db2.gz KZSHUBJYZVIAKC-CQSZACIVSA-N 1 3 278.359 3.237 20 0 CGADHO Nc1nc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cc3)cc2[nH]1 ZINC001245355670 803710791 /nfs/dbraw/zinc/71/07/91/803710791.db2.gz KZSHUBJYZVIAKC-CQSZACIVSA-N 1 3 278.359 3.237 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC001246074031 804111666 /nfs/dbraw/zinc/11/16/66/804111666.db2.gz BKKDEFXYCSVZOA-AWEZNQCLSA-N 1 3 278.465 3.337 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246087515 804120853 /nfs/dbraw/zinc/12/08/53/804120853.db2.gz OUEFLQFIWTUVGB-IKGGRYGDSA-N 1 3 278.415 3.078 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccccc2OC)CC[NH2+]1 ZINC001246092346 804124384 /nfs/dbraw/zinc/12/43/84/804124384.db2.gz AKEALMIDZQYTEW-SJORKVTESA-N 1 3 290.451 3.138 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC001246097574 804129650 /nfs/dbraw/zinc/12/96/50/804129650.db2.gz YUKCSRPADDBIQV-LSDHHAIUSA-N 1 3 278.465 3.065 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246103365 804137158 /nfs/dbraw/zinc/13/71/58/804137158.db2.gz YQNHFCRJHMTKAY-IRXDYDNUSA-N 1 3 274.452 3.294 20 0 CGADHO C[C@]1(CN[C@@H]2Cc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107071 804140675 /nfs/dbraw/zinc/14/06/75/804140675.db2.gz YTWRBPCLCNELIU-PBHICJAKSA-N 1 3 292.854 3.177 20 0 CGADHO CCCCC[C@@H](CC)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246113195 804144486 /nfs/dbraw/zinc/14/44/86/804144486.db2.gz NJKCWYQZNBYBIT-HUUCEWRRSA-N 1 3 258.425 3.417 20 0 CGADHO CCCCC[C@H](CC)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116755 804147544 /nfs/dbraw/zinc/14/75/44/804147544.db2.gz WPELWVZTLICHOO-QWHCGFSZSA-N 1 3 280.378 3.477 20 0 CGADHO CCC1CCC(NC[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116974 804147587 /nfs/dbraw/zinc/14/75/87/804147587.db2.gz YBLRSBLNRMFCCW-NRXISQOPSA-N 1 3 256.409 3.027 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@H]1C[NH2+]CC[C@H]1C ZINC001246117244 804149442 /nfs/dbraw/zinc/14/94/42/804149442.db2.gz YIYNUCDGJUVXPC-MGPQQGTHSA-N 1 3 296.455 3.142 20 0 CGADHO C[C@H]1CNC[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246117976 804150159 /nfs/dbraw/zinc/15/01/59/804150159.db2.gz UUWFQSZIPXSYHF-RRFJBIMHSA-N 1 3 250.430 3.077 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167095 804183215 /nfs/dbraw/zinc/18/32/15/804183215.db2.gz CLJVUHCKSADBCU-SQNIBIBYSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246170964 804186699 /nfs/dbraw/zinc/18/66/99/804186699.db2.gz PJIPZBNQUUIRTA-HOTGVXAUSA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@H]1C[C@H](NCCSCc2ccc(F)cc2)CC[NH2+]1 ZINC001246173034 804187801 /nfs/dbraw/zinc/18/78/01/804187801.db2.gz JQFNGYXAIJCOPT-JKSUJKDBSA-N 1 3 296.455 3.179 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246179061 804192626 /nfs/dbraw/zinc/19/26/26/804192626.db2.gz ZHXRXRDIPMONCD-HUUCEWRRSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@]1(N[C@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192338 804199973 /nfs/dbraw/zinc/19/99/73/804199973.db2.gz ZTCQFUMFYBANLY-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246210328 804208864 /nfs/dbraw/zinc/20/88/64/804208864.db2.gz MPYGSNDTQTYEJD-JYPHPWERSA-N 1 3 286.463 3.376 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246221198 804215309 /nfs/dbraw/zinc/21/53/09/804215309.db2.gz JHMNAXWBFIJNDI-KZNAEPCWSA-N 1 3 292.442 3.325 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246223642 804217923 /nfs/dbraw/zinc/21/79/23/804217923.db2.gz SKCXMHXTYHIBLB-RRFJBIMHSA-N 1 3 258.425 3.129 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc3ccccc3c2)CCN1 ZINC001246230883 804223093 /nfs/dbraw/zinc/22/30/93/804223093.db2.gz AHLQCHYRGJECCW-RDTXWAMCSA-N 1 3 268.404 3.112 20 0 CGADHO C[C@@H]1C[C@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246230883 804223099 /nfs/dbraw/zinc/22/30/99/804223099.db2.gz AHLQCHYRGJECCW-RDTXWAMCSA-N 1 3 268.404 3.112 20 0 CGADHO CC1(C)C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241051 804233537 /nfs/dbraw/zinc/23/35/37/804233537.db2.gz VVBYIBJXEPIYJR-OAHLLOKOSA-N 1 3 292.854 3.492 20 0 CGADHO CC1(C)C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246241051 804233545 /nfs/dbraw/zinc/23/35/45/804233545.db2.gz VVBYIBJXEPIYJR-OAHLLOKOSA-N 1 3 292.854 3.492 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246266642 804245266 /nfs/dbraw/zinc/24/52/66/804245266.db2.gz ONWGFZVWKBKCLU-GJZGRUSLSA-N 1 3 298.471 3.009 20 0 CGADHO C[C@H](CCN)[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246298500 804265558 /nfs/dbraw/zinc/26/55/58/804265558.db2.gz AMSVERRGGXOFOW-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C[C@H](C)N1 ZINC001246306682 804269599 /nfs/dbraw/zinc/26/95/99/804269599.db2.gz XGQWJQVAGLBDIQ-CZAMWMTLSA-N 1 3 292.854 3.316 20 0 CGADHO CC[C@H]([NH3+])CCN[C@@H](C)CSc1ccc(C)cc1 ZINC001246309035 804272332 /nfs/dbraw/zinc/27/23/32/804272332.db2.gz TXQLXVNHPHDEMA-KBPBESRZSA-N 1 3 266.454 3.193 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CCN1 ZINC001246324332 804282077 /nfs/dbraw/zinc/28/20/77/804282077.db2.gz GWRKTALGQGZNLC-QKAVBZAFSA-N 1 3 284.447 3.299 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246333446 804287177 /nfs/dbraw/zinc/28/71/77/804287177.db2.gz QLGPIFNLYYLDJP-SJORKVTESA-N 1 3 286.463 3.475 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC001246332055 804287324 /nfs/dbraw/zinc/28/73/24/804287324.db2.gz PHZOHSUTACKZJA-SZMVWBNQSA-N 1 3 274.452 3.231 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246369011 804307277 /nfs/dbraw/zinc/30/72/77/804307277.db2.gz AZNNJINOMBISBH-ZWKOTPCHSA-N 1 3 286.463 3.158 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246367215 804307482 /nfs/dbraw/zinc/30/74/82/804307482.db2.gz TXJLYAMSNIPCKZ-SJLPKXTDSA-N 1 3 299.462 3.467 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCNCC2(C)C)CC1 ZINC001246375927 804311081 /nfs/dbraw/zinc/31/10/81/804311081.db2.gz KQWHNZYGQWUMTG-YMAMQOFZSA-N 1 3 252.446 3.179 20 0 CGADHO CCC[C@H](CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246382021 804312951 /nfs/dbraw/zinc/31/29/51/804312951.db2.gz XFPOPXYUSFQIAW-INIZCTEOSA-N 1 3 290.451 3.442 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246383843 804315834 /nfs/dbraw/zinc/31/58/34/804315834.db2.gz LPCCXHCSNPHEAM-ZWKOTPCHSA-N 1 3 286.463 3.438 20 0 CGADHO Cc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246385027 804316858 /nfs/dbraw/zinc/31/68/58/804316858.db2.gz RBNIHNBJIRMSIQ-NVXWUHKLSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1ccc(CC2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC001246384574 804317011 /nfs/dbraw/zinc/31/70/11/804317011.db2.gz QFYSYVOYPXWAOG-DOTOQJQBSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246389824 804318068 /nfs/dbraw/zinc/31/80/68/804318068.db2.gz JSMUOSJULQKDGP-XJKSGUPXSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246389824 804318075 /nfs/dbraw/zinc/31/80/75/804318075.db2.gz JSMUOSJULQKDGP-XJKSGUPXSA-N 1 3 276.399 3.021 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1(CC3CC3)CCNCC1)CC2 ZINC001246392857 804318865 /nfs/dbraw/zinc/31/88/65/804318865.db2.gz RZCYKNBKHKMLBW-IBGZPJMESA-N 1 3 298.474 3.364 20 0 CGADHO C[C@@H]1CC(NC2(Cc3ccccc3F)CCC2)C[C@@H](C)[NH2+]1 ZINC001246435524 804331734 /nfs/dbraw/zinc/33/17/34/804331734.db2.gz SPQNBKXGLAUHTK-ZIAGYGMSSA-N 1 3 290.426 3.410 20 0 CGADHO C[C@@H]1CC([NH2+]C2(Cc3ccccc3F)CCC2)C[C@@H](C)N1 ZINC001246435524 804331743 /nfs/dbraw/zinc/33/17/43/804331743.db2.gz SPQNBKXGLAUHTK-ZIAGYGMSSA-N 1 3 290.426 3.410 20 0 CGADHO C(NC1CCCCCC1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460936 804341185 /nfs/dbraw/zinc/34/11/85/804341185.db2.gz LFPYCBFALFQIJN-MRXNPFEDSA-N 1 3 250.430 3.221 20 0 CGADHO CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460282 804342426 /nfs/dbraw/zinc/34/24/26/804342426.db2.gz FNIJLYUGOUFIPO-YESZJQIVSA-N 1 3 272.436 3.443 20 0 CGADHO CCCOC1CCC(NC[C@]2(CC3CC3)CCC[NH2+]2)CC1 ZINC001246461688 804342662 /nfs/dbraw/zinc/34/26/62/804342662.db2.gz PJVHATHKZZNWLP-DAWZGUTISA-N 1 3 294.483 3.236 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246463920 804344848 /nfs/dbraw/zinc/34/48/48/804344848.db2.gz UUAGYRHTCSJWRJ-VSZNYVQBSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246467797 804346033 /nfs/dbraw/zinc/34/60/33/804346033.db2.gz ZSSGWWGJMDCHMI-SOUVJXGZSA-N 1 3 250.430 3.349 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCNCC12CC2 ZINC001246476250 804352026 /nfs/dbraw/zinc/35/20/26/804352026.db2.gz YGFQBVMNPZGDIA-WFASDCNBSA-N 1 3 278.827 3.003 20 0 CGADHO CCCC1CCC([NH2+][C@H]2CCNCC23CC3)CC1 ZINC001246475235 804353005 /nfs/dbraw/zinc/35/30/05/804353005.db2.gz TZSWMPCHHGUCTQ-NRXISQOPSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246493820 804359158 /nfs/dbraw/zinc/35/91/58/804359158.db2.gz GEDNTOKMLKKGAT-NJAFHUGGSA-N 1 3 274.452 3.231 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)NC12CC([NH3+])(C1)C2 ZINC001246501080 804363180 /nfs/dbraw/zinc/36/31/80/804363180.db2.gz KCKGWYJTFPOOBB-JQRITLKVSA-N 1 3 294.464 3.293 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246509884 804368580 /nfs/dbraw/zinc/36/85/80/804368580.db2.gz KFATYJZFJPRMPB-NRSFXHEJSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514009 804368774 /nfs/dbraw/zinc/36/87/74/804368774.db2.gz ZKZLHXAJMAXVQF-UBDQQSCGSA-N 1 3 272.436 3.443 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@@H](CC)C1CNC1 ZINC001246514424 804370182 /nfs/dbraw/zinc/37/01/82/804370182.db2.gz HOCHNWSNDZKVBJ-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[C@H](N[C@H](C)Cc1c(F)cccc1Cl)C1C[NH2+]C1 ZINC001246514574 804370458 /nfs/dbraw/zinc/37/04/58/804370458.db2.gz IICJKDMEGFQTBC-BZNIZROVSA-N 1 3 298.833 3.244 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246521144 804377209 /nfs/dbraw/zinc/37/72/09/804377209.db2.gz ZIPHEQKCMBVBMV-OALUTQOASA-N 1 3 288.479 3.477 20 0 CGADHO N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539294 804388000 /nfs/dbraw/zinc/38/80/00/804388000.db2.gz HDWUTEXINJPXNW-ZACQAIPSSA-N 1 3 258.409 3.136 20 0 CGADHO N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539294 804388006 /nfs/dbraw/zinc/38/80/06/804388006.db2.gz HDWUTEXINJPXNW-ZACQAIPSSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1c2ccccc2CCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540510 804389061 /nfs/dbraw/zinc/38/90/61/804389061.db2.gz AZUKTULJJKYIGO-HOCLYGCPSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246540510 804389069 /nfs/dbraw/zinc/38/90/69/804389069.db2.gz AZUKTULJJKYIGO-HOCLYGCPSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246540510 804389076 /nfs/dbraw/zinc/38/90/76/804389076.db2.gz AZUKTULJJKYIGO-HOCLYGCPSA-N 1 3 270.420 3.280 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](N)CC1 ZINC001246547467 804396277 /nfs/dbraw/zinc/39/62/77/804396277.db2.gz PUYLRFZDPXSDFY-IRXDYDNUSA-N 1 3 260.425 3.211 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](N)CC1 ZINC001246547467 804396280 /nfs/dbraw/zinc/39/62/80/804396280.db2.gz PUYLRFZDPXSDFY-IRXDYDNUSA-N 1 3 260.425 3.211 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2CCC[C@H]([NH3+])CC2)cc1 ZINC001246548401 804397804 /nfs/dbraw/zinc/39/78/04/804397804.db2.gz TXIYXNVDEIPWFT-CABCVRRESA-N 1 3 278.465 3.289 20 0 CGADHO C[C@@H]1CCCC[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246557385 804405939 /nfs/dbraw/zinc/40/59/39/804405939.db2.gz LKUVRYIUBCOYHM-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCCC[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246557385 804405941 /nfs/dbraw/zinc/40/59/41/804405941.db2.gz LKUVRYIUBCOYHM-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246560061 804408327 /nfs/dbraw/zinc/40/83/27/804408327.db2.gz RNMIHUUNYUOJFI-ZNMIVQPWSA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246560061 804408331 /nfs/dbraw/zinc/40/83/31/804408331.db2.gz RNMIHUUNYUOJFI-ZNMIVQPWSA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@@H](N2CCC[C@H](F)CC2)CC[NH2+]1 ZINC001246560061 804408332 /nfs/dbraw/zinc/40/83/32/804408332.db2.gz RNMIHUUNYUOJFI-ZNMIVQPWSA-N 1 3 256.409 3.121 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC001246571294 804419390 /nfs/dbraw/zinc/41/93/90/804419390.db2.gz IIHRSRFQHOBQCP-RBSFLKMASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC001246571294 804419395 /nfs/dbraw/zinc/41/93/95/804419395.db2.gz IIHRSRFQHOBQCP-RBSFLKMASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246581713 804426575 /nfs/dbraw/zinc/42/65/75/804426575.db2.gz AIGSTIADUPGQOD-DOTOQJQBSA-N 1 3 290.476 3.154 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246581713 804426577 /nfs/dbraw/zinc/42/65/77/804426577.db2.gz AIGSTIADUPGQOD-DOTOQJQBSA-N 1 3 290.476 3.154 20 0 CGADHO C[C@]1(C[NH3+])CCCCN([C@@H]2CSc3ccccc3C2)C1 ZINC001246581713 804426582 /nfs/dbraw/zinc/42/65/82/804426582.db2.gz AIGSTIADUPGQOD-DOTOQJQBSA-N 1 3 290.476 3.154 20 0 CGADHO CC1(CN)C[NH+]([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246590255 804433155 /nfs/dbraw/zinc/43/31/55/804433155.db2.gz RYWCRAAJQWHFCA-AWEZNQCLSA-N 1 3 250.430 3.160 20 0 CGADHO CC1(C[NH3+])CN([C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246590255 804433159 /nfs/dbraw/zinc/43/31/59/804433159.db2.gz RYWCRAAJQWHFCA-AWEZNQCLSA-N 1 3 250.430 3.160 20 0 CGADHO CCC1CCC([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611466 804444450 /nfs/dbraw/zinc/44/44/50/804444450.db2.gz UBLHBWHMLIZFDM-GPANFISMSA-N 1 3 250.430 3.173 20 0 CGADHO CCC1CCC([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611466 804444454 /nfs/dbraw/zinc/44/44/54/804444454.db2.gz UBLHBWHMLIZFDM-GPANFISMSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001246610433 804445263 /nfs/dbraw/zinc/44/52/63/804445263.db2.gz QXVSTOBRSSWGIS-PKOBYXMFSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC001246610433 804445265 /nfs/dbraw/zinc/44/52/65/804445265.db2.gz QXVSTOBRSSWGIS-PKOBYXMFSA-N 1 3 286.463 3.392 20 0 CGADHO CCCCCC[C@H](CCC)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246620255 804453615 /nfs/dbraw/zinc/45/36/15/804453615.db2.gz XGBUNGCVJTYWHG-BZSNNMDCSA-N 1 3 295.515 3.151 20 0 CGADHO CCCCCC[C@H](CCC)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246620255 804453619 /nfs/dbraw/zinc/45/36/19/804453619.db2.gz XGBUNGCVJTYWHG-BZSNNMDCSA-N 1 3 295.515 3.151 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246627183 804458555 /nfs/dbraw/zinc/45/85/55/804458555.db2.gz ZLWOJJJBLNTEIC-IAGOWNOFSA-N 1 3 282.472 3.046 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246627183 804458559 /nfs/dbraw/zinc/45/85/59/804458559.db2.gz ZLWOJJJBLNTEIC-IAGOWNOFSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246632492 804463002 /nfs/dbraw/zinc/46/30/02/804463002.db2.gz VXVJIQMEOTWDSJ-PBHICJAKSA-N 1 3 292.854 3.347 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634748 804464067 /nfs/dbraw/zinc/46/40/67/804464067.db2.gz ORKKLTSVDLQBGP-QAPCUYQASA-N 1 3 290.426 3.365 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N1CC2CC1(C[NH3+])C2 ZINC001246646845 804473441 /nfs/dbraw/zinc/47/34/41/804473441.db2.gz OOOBHMZSHRROIV-ADKAHSJRSA-N 1 3 272.436 3.211 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+]1CCCC13CCNCC3)C2 ZINC001246646932 804473883 /nfs/dbraw/zinc/47/38/83/804473883.db2.gz RBZCFYXWHICXMM-KRWDZBQOSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+]1CCCC13CCNCC3)C2 ZINC001246646932 804473886 /nfs/dbraw/zinc/47/38/86/804473886.db2.gz RBZCFYXWHICXMM-KRWDZBQOSA-N 1 3 284.447 3.070 20 0 CGADHO C[C@H](Cc1cccc(F)c1)N1CCCCC12CC[NH2+]CC2 ZINC001246648850 804477290 /nfs/dbraw/zinc/47/72/90/804477290.db2.gz RUXGSQFCEVQOAW-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCCC12CCNCC2 ZINC001246648850 804477294 /nfs/dbraw/zinc/47/72/94/804477294.db2.gz RUXGSQFCEVQOAW-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCCCC12CCNCC2 ZINC001246648850 804477297 /nfs/dbraw/zinc/47/72/97/804477297.db2.gz RUXGSQFCEVQOAW-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO C1CC12CCC([N@@H+]1CCCC[C@@]13CCCNC3)CC2 ZINC001246650391 804478344 /nfs/dbraw/zinc/47/83/44/804478344.db2.gz HRJVPLNXBUFDLP-KRWDZBQOSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC12CCC([N@H+]1CCCC[C@@]13CCCNC3)CC2 ZINC001246650391 804478349 /nfs/dbraw/zinc/47/83/49/804478349.db2.gz HRJVPLNXBUFDLP-KRWDZBQOSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC12CCC(N1CCCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246650391 804478355 /nfs/dbraw/zinc/47/83/55/804478355.db2.gz HRJVPLNXBUFDLP-KRWDZBQOSA-N 1 3 262.441 3.317 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651747 804478513 /nfs/dbraw/zinc/47/85/13/804478513.db2.gz ZDAIZRUUDUTFDO-IJEWVQPXSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654691 804480288 /nfs/dbraw/zinc/48/02/88/804480288.db2.gz KSAFTKIERLMSSK-RCCFBDPRSA-N 1 3 272.436 3.067 20 0 CGADHO CC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675895 804490307 /nfs/dbraw/zinc/49/03/07/804490307.db2.gz YVJKZBVXSAVLCU-SZMVWBNQSA-N 1 3 272.436 3.038 20 0 CGADHO CC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675895 804490311 /nfs/dbraw/zinc/49/03/11/804490311.db2.gz YVJKZBVXSAVLCU-SZMVWBNQSA-N 1 3 272.436 3.038 20 0 CGADHO CCCCC1CC[NH+]([C@@H]2CCNC(C)(C)C2)CC1 ZINC001246681507 804494649 /nfs/dbraw/zinc/49/46/49/804494649.db2.gz PBPARPOXQTYTRQ-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO CC1(C)C[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246694552 804498609 /nfs/dbraw/zinc/49/86/09/804498609.db2.gz WIZHDGCHBALOKE-QGZVFWFLSA-N 1 3 272.436 3.397 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773528 804504235 /nfs/dbraw/zinc/50/42/35/804504235.db2.gz AGTCSBQRUGSFEO-ROUUACIJSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246773528 804504240 /nfs/dbraw/zinc/50/42/40/804504240.db2.gz AGTCSBQRUGSFEO-ROUUACIJSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246773528 804504248 /nfs/dbraw/zinc/50/42/48/804504248.db2.gz AGTCSBQRUGSFEO-ROUUACIJSA-N 1 3 274.452 3.328 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC001246773664 804504936 /nfs/dbraw/zinc/50/49/36/804504936.db2.gz BDMMAVOJWVSGMF-OLZOCXBDSA-N 1 3 298.883 3.491 20 0 CGADHO C[N@H+]([C@@H]1CCNC(C)(C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783493 804509729 /nfs/dbraw/zinc/50/97/29/804509729.db2.gz OLDYDQXSEXNHEQ-QFQXCOSMSA-N 1 3 276.468 3.418 20 0 CGADHO C[N@@H+]([C@@H]1CCNC(C)(C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783493 804509732 /nfs/dbraw/zinc/50/97/32/804509732.db2.gz OLDYDQXSEXNHEQ-QFQXCOSMSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@@H]1C ZINC001246788072 804511828 /nfs/dbraw/zinc/51/18/28/804511828.db2.gz HCVWPLYSEUPBOM-TUVASFSCSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@@H]1C ZINC001246788072 804511833 /nfs/dbraw/zinc/51/18/33/804511833.db2.gz HCVWPLYSEUPBOM-TUVASFSCSA-N 1 3 252.446 3.274 20 0 CGADHO C1NCC12CCC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001246790367 804514019 /nfs/dbraw/zinc/51/40/19/804514019.db2.gz FOGOIAFVLWMCLI-UHFFFAOYSA-N 1 3 262.441 3.175 20 0 CGADHO C1NCC12CCC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001246790367 804514025 /nfs/dbraw/zinc/51/40/25/804514025.db2.gz FOGOIAFVLWMCLI-UHFFFAOYSA-N 1 3 262.441 3.175 20 0 CGADHO C1[NH2+]CC12CCCN(C1CCC3(CCCC3)CC1)C2 ZINC001246790367 804514031 /nfs/dbraw/zinc/51/40/31/804514031.db2.gz FOGOIAFVLWMCLI-UHFFFAOYSA-N 1 3 262.441 3.175 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246800723 804521516 /nfs/dbraw/zinc/52/15/16/804521516.db2.gz GICTXJDHGCFUEN-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246800723 804521518 /nfs/dbraw/zinc/52/15/18/804521518.db2.gz GICTXJDHGCFUEN-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@H](C)C1 ZINC001246810086 804527146 /nfs/dbraw/zinc/52/71/46/804527146.db2.gz MHPNBSLIWIREIJ-TUVASFSCSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@H](C)C1 ZINC001246810086 804527150 /nfs/dbraw/zinc/52/71/50/804527150.db2.gz MHPNBSLIWIREIJ-TUVASFSCSA-N 1 3 252.446 3.274 20 0 CGADHO CCOc1ccc([C@H]2CCCN2[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246820028 804535362 /nfs/dbraw/zinc/53/53/62/804535362.db2.gz DUMOKPCMQPCHKU-SJLPKXTDSA-N 1 3 288.435 3.364 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC001246840110 804547601 /nfs/dbraw/zinc/54/76/01/804547601.db2.gz FDSNMUXPQIPMIA-XHSDSOJGSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC001246840110 804547604 /nfs/dbraw/zinc/54/76/04/804547604.db2.gz FDSNMUXPQIPMIA-XHSDSOJGSA-N 1 3 254.462 3.379 20 0 CGADHO CCCCC(CCCC)[N@@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246843285 804551519 /nfs/dbraw/zinc/55/15/19/804551519.db2.gz FOUYOWDROVSHMZ-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC(CCCC)[N@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246843285 804551525 /nfs/dbraw/zinc/55/15/25/804551525.db2.gz FOUYOWDROVSHMZ-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844271 804552584 /nfs/dbraw/zinc/55/25/84/804552584.db2.gz YDWLGCRQXGLJLQ-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844271 804552589 /nfs/dbraw/zinc/55/25/89/804552589.db2.gz YDWLGCRQXGLJLQ-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@H+](CC1CCCCC1)[C@H]1CCNC2(CCC2)C1 ZINC001246844929 804553825 /nfs/dbraw/zinc/55/38/25/804553825.db2.gz HVNIJVJPFFPEBD-HNNXBMFYSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@@H+](CC1CCCCC1)[C@H]1CCNC2(CCC2)C1 ZINC001246844929 804553828 /nfs/dbraw/zinc/55/38/28/804553828.db2.gz HVNIJVJPFFPEBD-HNNXBMFYSA-N 1 3 250.430 3.173 20 0 CGADHO Clc1ccc([C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246846523 804556563 /nfs/dbraw/zinc/55/65/63/804556563.db2.gz BFBBIOUKDKIGFZ-KTFSGNIMSA-N 1 3 290.838 3.412 20 0 CGADHO C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246847591 804557960 /nfs/dbraw/zinc/55/79/60/804557960.db2.gz UWXOZFNSAGNTEM-MELADBBJSA-N 1 3 252.446 3.131 20 0 CGADHO C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246847591 804557966 /nfs/dbraw/zinc/55/79/66/804557966.db2.gz UWXOZFNSAGNTEM-MELADBBJSA-N 1 3 252.446 3.131 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246847564 804558011 /nfs/dbraw/zinc/55/80/11/804558011.db2.gz UJKYPQYKQVTHTO-ZNMIVQPWSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246847564 804558016 /nfs/dbraw/zinc/55/80/16/804558016.db2.gz UJKYPQYKQVTHTO-ZNMIVQPWSA-N 1 3 252.446 3.275 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246848495 804558153 /nfs/dbraw/zinc/55/81/53/804558153.db2.gz WCTSCHZDRNXBHO-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246848495 804558157 /nfs/dbraw/zinc/55/81/57/804558157.db2.gz WCTSCHZDRNXBHO-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854737 804563996 /nfs/dbraw/zinc/56/39/96/804563996.db2.gz RCWOOIYLLLTACP-KZNAEPCWSA-N 1 3 272.436 3.211 20 0 CGADHO c1ccc(C[N@H+](C2CCNCC2)C2CCSCC2)cc1 ZINC001246911841 804594553 /nfs/dbraw/zinc/59/45/53/804594553.db2.gz PDUJZSHSWHEYDE-UHFFFAOYSA-N 1 3 290.476 3.136 20 0 CGADHO c1ccc(C[N@@H+](C2CCNCC2)C2CCSCC2)cc1 ZINC001246911841 804594555 /nfs/dbraw/zinc/59/45/55/804594555.db2.gz PDUJZSHSWHEYDE-UHFFFAOYSA-N 1 3 290.476 3.136 20 0 CGADHO [NH3+]C[C@]1(F)CCN(C2CCC(Cc3ccccc3)CC2)C1 ZINC001246945227 804614815 /nfs/dbraw/zinc/61/48/15/804614815.db2.gz KHGGAUPJSOCFGB-DAWZGUTISA-N 1 3 290.426 3.161 20 0 CGADHO CC(C)[N@H+]([C@H]1Cc2cccc(Cl)c2C1)[C@@H]1CCCNC1 ZINC001246954901 804617394 /nfs/dbraw/zinc/61/73/94/804617394.db2.gz NTIBAKKFFOFZRW-CABCVRRESA-N 1 3 292.854 3.270 20 0 CGADHO CC(C)[N@@H+]([C@H]1Cc2cccc(Cl)c2C1)[C@@H]1CCCNC1 ZINC001246954901 804617399 /nfs/dbraw/zinc/61/73/99/804617399.db2.gz NTIBAKKFFOFZRW-CABCVRRESA-N 1 3 292.854 3.270 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575819 807208146 /nfs/dbraw/zinc/20/81/46/807208146.db2.gz IDVSDBHWOLIHFI-LSDHHAIUSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575819 807208153 /nfs/dbraw/zinc/20/81/53/807208153.db2.gz IDVSDBHWOLIHFI-LSDHHAIUSA-N 1 3 254.462 3.332 20 0 CGADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccnc1 ZINC001258003848 807263009 /nfs/dbraw/zinc/26/30/09/807263009.db2.gz VWLUCWXKASMHCE-KRWDZBQOSA-N 1 3 275.440 3.243 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001258001622 807263280 /nfs/dbraw/zinc/26/32/80/807263280.db2.gz XELHPTRUXXOWGL-UHFFFAOYSA-N 1 3 286.463 3.385 20 0 CGADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167915115 807272353 /nfs/dbraw/zinc/27/23/53/807272353.db2.gz ZQUAXOOTZYLHGT-ALXJQNPVSA-N 1 3 276.468 3.419 20 0 CGADHO C[N@H+](CC1CCC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995343 807294995 /nfs/dbraw/zinc/29/49/95/807294995.db2.gz BTQVSUMAVOWFOF-SJPCQFCGSA-N 1 3 262.441 3.124 20 0 CGADHO C[N@@H+](CC1CCC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995343 807295000 /nfs/dbraw/zinc/29/50/00/807295000.db2.gz BTQVSUMAVOWFOF-SJPCQFCGSA-N 1 3 262.441 3.124 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1[C@H]3CC[C@@H]1CCC3)C2 ZINC001168004358 807298362 /nfs/dbraw/zinc/29/83/62/807298362.db2.gz UVZUCVOFXPWUMS-FVGDGBDSSA-N 1 3 274.452 3.409 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1[C@H]3CC[C@@H]1CCC3)C2 ZINC001168004358 807298366 /nfs/dbraw/zinc/29/83/66/807298366.db2.gz UVZUCVOFXPWUMS-FVGDGBDSSA-N 1 3 274.452 3.409 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168152513 807327385 /nfs/dbraw/zinc/32/73/85/807327385.db2.gz WKUREULTRJYMQZ-ZDUSSCGKSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168152513 807327393 /nfs/dbraw/zinc/32/73/93/807327393.db2.gz WKUREULTRJYMQZ-ZDUSSCGKSA-N 1 3 268.832 3.330 20 0 CGADHO C(C1CC1)N1CCC([NH+]2CC3(C2)CCCCC3)CC1 ZINC001168387616 807398652 /nfs/dbraw/zinc/39/86/52/807398652.db2.gz MNHRDKNZBXQAOR-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO CSC(C)(C)C[C@@H](C)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001258337760 807417829 /nfs/dbraw/zinc/41/78/29/807417829.db2.gz OPYGIQZSLDAERF-CQSZACIVSA-N 1 3 296.524 3.324 20 0 CGADHO CCN(CCC[NH+](C)C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168745836 807504371 /nfs/dbraw/zinc/50/43/71/807504371.db2.gz ZFWSRUIBAHKIFQ-AWEZNQCLSA-N 1 3 280.843 3.081 20 0 CGADHO C[C@H](Cc1cccnc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258617749 807512126 /nfs/dbraw/zinc/51/21/26/807512126.db2.gz UJGBRGNHHNQKCZ-OAHLLOKOSA-N 1 3 287.451 3.009 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccccc1)C1CC1)C2 ZINC001169080373 807569739 /nfs/dbraw/zinc/56/97/39/807569739.db2.gz MWJQCKIWMWTBQQ-XMTFNYHQSA-N 1 3 270.420 3.353 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H](c1ccccc1)C1CC1)C2 ZINC001169080373 807569742 /nfs/dbraw/zinc/56/97/42/807569742.db2.gz MWJQCKIWMWTBQQ-XMTFNYHQSA-N 1 3 270.420 3.353 20 0 CGADHO COc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001169111197 807581393 /nfs/dbraw/zinc/58/13/93/807581393.db2.gz OCJXXHGNHQOSCB-OSYLJGHBSA-N 1 3 288.435 3.027 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155482 807596526 /nfs/dbraw/zinc/59/65/26/807596526.db2.gz PMRGMVJLYYPIIR-BJWYYQGGSA-N 1 3 284.447 3.405 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155482 807596531 /nfs/dbraw/zinc/59/65/31/807596531.db2.gz PMRGMVJLYYPIIR-BJWYYQGGSA-N 1 3 284.447 3.405 20 0 CGADHO Cc1ccc(C[NH+]2CCCCC2)cc1-n1ccc([C@H](C)N)n1 ZINC001169235125 807611121 /nfs/dbraw/zinc/61/11/21/807611121.db2.gz QVLNZCWHTDRCRP-HNNXBMFYSA-N 1 3 298.434 3.186 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](CC)C[C@@H](C)CC)C[C@@H]2C1 ZINC001258797122 807619527 /nfs/dbraw/zinc/61/95/27/807619527.db2.gz JMHOIPPSLWASAS-MWDXBVQZSA-N 1 3 266.473 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](CC)C[C@@H](C)CC)C[C@@H]2C1 ZINC001258797122 807619531 /nfs/dbraw/zinc/61/95/31/807619531.db2.gz JMHOIPPSLWASAS-MWDXBVQZSA-N 1 3 266.473 3.475 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001258907140 807672549 /nfs/dbraw/zinc/67/25/49/807672549.db2.gz GMWCYDVUQFNDLO-BBWFWOEESA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]1CCCCN1c1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001170620786 807867222 /nfs/dbraw/zinc/86/72/22/807867222.db2.gz DTQNYFWUYJPENK-SOUVJXGZSA-N 1 3 288.439 3.142 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1(C)C ZINC001171631225 808107727 /nfs/dbraw/zinc/10/77/27/808107727.db2.gz GJNOPDBTJIFMFL-GOEBONIOSA-N 1 3 294.483 3.139 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1(C)C ZINC001171631225 808107729 /nfs/dbraw/zinc/10/77/29/808107729.db2.gz GJNOPDBTJIFMFL-GOEBONIOSA-N 1 3 294.483 3.139 20 0 CGADHO Cn1cc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001172099976 808172612 /nfs/dbraw/zinc/17/26/12/808172612.db2.gz NYOJNNKKOHHNSM-OSYLJGHBSA-N 1 3 297.446 3.283 20 0 CGADHO Cn1cc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172099976 808172614 /nfs/dbraw/zinc/17/26/14/808172614.db2.gz NYOJNNKKOHHNSM-OSYLJGHBSA-N 1 3 297.446 3.283 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3cnccc31)C2 ZINC001172108913 808178914 /nfs/dbraw/zinc/17/89/14/808178914.db2.gz ABCZNXYLCFUUQU-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3cnccc31)C2 ZINC001172108913 808178919 /nfs/dbraw/zinc/17/89/19/808178919.db2.gz ABCZNXYLCFUUQU-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121053 808183310 /nfs/dbraw/zinc/18/33/10/808183310.db2.gz BVZHCVNZOLGCNH-BJWYYQGGSA-N 1 3 274.383 3.157 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121053 808183311 /nfs/dbraw/zinc/18/33/11/808183311.db2.gz BVZHCVNZOLGCNH-BJWYYQGGSA-N 1 3 274.383 3.157 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CSc3ccccc3C2)C1 ZINC001172205385 808198538 /nfs/dbraw/zinc/19/85/38/808198538.db2.gz VUDZNAKLPXHQQN-OWCLPIDISA-N 1 3 290.476 3.166 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172205385 808198541 /nfs/dbraw/zinc/19/85/41/808198541.db2.gz VUDZNAKLPXHQQN-OWCLPIDISA-N 1 3 290.476 3.166 20 0 CGADHO CCN(CC)CCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172647102 808407651 /nfs/dbraw/zinc/40/76/51/808407651.db2.gz WISPYKKNFBYCNH-UHFFFAOYSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173338491 808618440 /nfs/dbraw/zinc/61/84/40/808618440.db2.gz AOOSFMMRXMSYAO-LSDHHAIUSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173338491 808618447 /nfs/dbraw/zinc/61/84/47/808618447.db2.gz AOOSFMMRXMSYAO-LSDHHAIUSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H](CN)C[N@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173685669 808664212 /nfs/dbraw/zinc/66/42/12/808664212.db2.gz ZZLGKRPTLUTHOI-DMKPSLHHSA-N 1 3 286.463 3.340 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173685669 808664215 /nfs/dbraw/zinc/66/42/15/808664215.db2.gz ZZLGKRPTLUTHOI-DMKPSLHHSA-N 1 3 286.463 3.340 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cc(C)ccc3C)(C1)CCC2 ZINC001275287647 808927268 /nfs/dbraw/zinc/92/72/68/808927268.db2.gz UWROVHBJHFVHNH-ZWKOTPCHSA-N 1 3 272.436 3.458 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001275841492 808970994 /nfs/dbraw/zinc/97/09/94/808970994.db2.gz VJJHHMSKZOPSNV-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001275841492 808970998 /nfs/dbraw/zinc/97/09/98/808970998.db2.gz VJJHHMSKZOPSNV-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO Cc1cc(NC2=CCCN(Cc3ccccc3)C2)cc[nH+]1 ZINC001174393186 808992600 /nfs/dbraw/zinc/99/26/00/808992600.db2.gz SXXPQGWSAQMRSR-UHFFFAOYSA-N 1 3 279.387 3.014 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]2CC1 ZINC001276293384 808999027 /nfs/dbraw/zinc/99/90/27/808999027.db2.gz ALAYFZGHDFTJFV-OKILXGFUSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]2CC1 ZINC001276293384 808999031 /nfs/dbraw/zinc/99/90/31/808999031.db2.gz ALAYFZGHDFTJFV-OKILXGFUSA-N 1 3 296.817 3.253 20 0 CGADHO Cc1ccnc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001276321288 809002265 /nfs/dbraw/zinc/00/22/65/809002265.db2.gz DQCDNRWHZXPBHR-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO C[N@@H+]1CCC2(C1)CCN(CCc1cccc(Cl)c1)CC2 ZINC001276703825 809025185 /nfs/dbraw/zinc/02/51/85/809025185.db2.gz SRUKCASJQASBSK-UHFFFAOYSA-N 1 3 292.854 3.300 20 0 CGADHO C[N@H+]1CCC2(C1)CCN(CCc1cccc(Cl)c1)CC2 ZINC001276703825 809025193 /nfs/dbraw/zinc/02/51/93/809025193.db2.gz SRUKCASJQASBSK-UHFFFAOYSA-N 1 3 292.854 3.300 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCCN(Cc3cccc4c3CCC4)C2)C1 ZINC001277478206 809076810 /nfs/dbraw/zinc/07/68/10/809076810.db2.gz FUBQKUNPPCSMBK-HXUWFJFHSA-N 1 3 298.474 3.483 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCCN(Cc3cccc4c3CCC4)C2)C1 ZINC001277478206 809076817 /nfs/dbraw/zinc/07/68/17/809076817.db2.gz FUBQKUNPPCSMBK-HXUWFJFHSA-N 1 3 298.474 3.483 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001177742468 809818695 /nfs/dbraw/zinc/81/86/95/809818695.db2.gz IVOTWUPHYQFRHK-OAGGEKHMSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001179818567 809948611 /nfs/dbraw/zinc/94/86/11/809948611.db2.gz YXDIOOQHEMUNBU-SQWLQELKSA-N 1 3 278.827 3.078 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906267 809956871 /nfs/dbraw/zinc/95/68/71/809956871.db2.gz WHGSBDPGWINSIR-HNAYVOBHSA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906267 809956876 /nfs/dbraw/zinc/95/68/76/809956876.db2.gz WHGSBDPGWINSIR-HNAYVOBHSA-N 1 3 286.463 3.337 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@H](N)C1 ZINC001204877389 812759964 /nfs/dbraw/zinc/75/99/64/812759964.db2.gz IGMUBPCDMASGRU-CABCVRRESA-N 1 3 270.461 3.031 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H](N)C1 ZINC001204877389 812759968 /nfs/dbraw/zinc/75/99/68/812759968.db2.gz IGMUBPCDMASGRU-CABCVRRESA-N 1 3 270.461 3.031 20 0 CGADHO COC(=O)CCCCCCCCC[N@@H+]1CCC[C@@H](N)CC1 ZINC001205094175 812859399 /nfs/dbraw/zinc/85/93/99/812859399.db2.gz JYJYMHQNRQZQTK-MRXNPFEDSA-N 1 3 298.471 3.093 20 0 CGADHO COC(=O)CCCCCCCCC[N@H+]1CCC[C@@H](N)CC1 ZINC001205094175 812859412 /nfs/dbraw/zinc/85/94/12/812859412.db2.gz JYJYMHQNRQZQTK-MRXNPFEDSA-N 1 3 298.471 3.093 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205094714 812860135 /nfs/dbraw/zinc/86/01/35/812860135.db2.gz OKCSYHRPJGVIDI-MRXNPFEDSA-N 1 3 260.425 3.297 20 0 CGADHO COc1ccc(CN2CCC[C@](C)([NH3+])CC2)c(C)c1C ZINC001205255573 812919597 /nfs/dbraw/zinc/91/95/97/812919597.db2.gz KIKINVWAFVBODG-KRWDZBQOSA-N 1 3 276.424 3.015 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205281778 812930562 /nfs/dbraw/zinc/93/05/62/812930562.db2.gz XSNXCKUZEZRWQP-LJQANCHMSA-N 1 3 295.430 3.452 20 0 CGADHO C[C@H]1CCN(Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC001205602023 813018457 /nfs/dbraw/zinc/01/84/57/813018457.db2.gz HQNJZUDJYAWQSP-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCCC[N@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001205662711 813045884 /nfs/dbraw/zinc/04/58/84/813045884.db2.gz DFTITDMNXIRNLF-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H]1CCCC[N@@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001205662711 813045891 /nfs/dbraw/zinc/04/58/91/813045891.db2.gz DFTITDMNXIRNLF-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO Cc1ncc(Nc2ccc(C[NH2+]CC(C)C)cc2)n1C ZINC001215744735 815573145 /nfs/dbraw/zinc/57/31/45/815573145.db2.gz GIOOKJSGVQIXCW-UHFFFAOYSA-N 1 3 272.396 3.218 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205862828 813113033 /nfs/dbraw/zinc/11/30/33/813113033.db2.gz AFZOUOMREXMALT-XHSDSOJGSA-N 1 3 284.488 3.277 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205862828 813113035 /nfs/dbraw/zinc/11/30/35/813113035.db2.gz AFZOUOMREXMALT-XHSDSOJGSA-N 1 3 284.488 3.277 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001205901149 813122353 /nfs/dbraw/zinc/12/23/53/813122353.db2.gz BIEZPIBJLPBJJG-CRAIPNDOSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001205901149 813122354 /nfs/dbraw/zinc/12/23/54/813122354.db2.gz BIEZPIBJLPBJJG-CRAIPNDOSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205901149 813122358 /nfs/dbraw/zinc/12/23/58/813122358.db2.gz BIEZPIBJLPBJJG-CRAIPNDOSA-N 1 3 274.452 3.412 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC001205901617 813122532 /nfs/dbraw/zinc/12/25/32/813122532.db2.gz DROJKBBJZBKPRD-DGCLKSJQSA-N 1 3 286.341 3.265 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc2ccsc2c1 ZINC001205913214 813129231 /nfs/dbraw/zinc/12/92/31/813129231.db2.gz HPPXZQLAYQASGO-SWLSCSKDSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1CN(Cc2cccc(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001205995810 813157233 /nfs/dbraw/zinc/15/72/33/813157233.db2.gz QPIXIJUKBQILNC-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO N[C@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@H]1F ZINC001206167321 813222226 /nfs/dbraw/zinc/22/22/26/813222226.db2.gz YHBVHANFCSCFOX-OLZOCXBDSA-N 1 3 295.789 3.083 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@H]1F ZINC001206167321 813222230 /nfs/dbraw/zinc/22/22/30/813222230.db2.gz YHBVHANFCSCFOX-OLZOCXBDSA-N 1 3 295.789 3.083 20 0 CGADHO [NH3+][C@H]1CCN(Cc2csc3ccccc23)CC[C@H]1F ZINC001206174078 813226122 /nfs/dbraw/zinc/22/61/22/813226122.db2.gz LVGAPIJHEBHISO-KGLIPLIRSA-N 1 3 278.396 3.163 20 0 CGADHO N[C@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187482 813232521 /nfs/dbraw/zinc/23/25/21/813232521.db2.gz TYCALKLWOGFTAL-MSOLQXFVSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187482 813232525 /nfs/dbraw/zinc/23/25/25/813232525.db2.gz TYCALKLWOGFTAL-MSOLQXFVSA-N 1 3 299.393 3.010 20 0 CGADHO CCOc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)c(C)c1 ZINC001206549677 813349663 /nfs/dbraw/zinc/34/96/63/813349663.db2.gz PUQLFOHCUWQLFI-GOSISDBHSA-N 1 3 290.451 3.345 20 0 CGADHO CCOc1ccc(C)c(CN2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572090 813357786 /nfs/dbraw/zinc/35/77/86/813357786.db2.gz AQVIPECUWBXUGU-GOSISDBHSA-N 1 3 290.451 3.345 20 0 CGADHO CC(C)N(Cc1ccccc1N(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582725 813362919 /nfs/dbraw/zinc/36/29/19/813362919.db2.gz PCMJTBYRULGXFU-KRWDZBQOSA-N 1 3 289.467 3.105 20 0 CGADHO COc1ccc(C)c(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206599911 813370828 /nfs/dbraw/zinc/37/08/28/813370828.db2.gz YXRFVWZAMPQWCI-QGZVFWFLSA-N 1 3 290.451 3.356 20 0 CGADHO NC[C@H]1CCCC[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206633145 813380937 /nfs/dbraw/zinc/38/09/37/813380937.db2.gz UPYZUKQUVWSPCL-MRXNPFEDSA-N 1 3 283.419 3.038 20 0 CGADHO NC[C@H]1CCCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206633145 813380944 /nfs/dbraw/zinc/38/09/44/813380944.db2.gz UPYZUKQUVWSPCL-MRXNPFEDSA-N 1 3 283.419 3.038 20 0 CGADHO CCC[N@H+]1C[C@H]2CN(C[C@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914676 813671954 /nfs/dbraw/zinc/67/19/54/813671954.db2.gz XEAIKQXXDVLDHK-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN(C[C@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914676 813671959 /nfs/dbraw/zinc/67/19/59/813671959.db2.gz XEAIKQXXDVLDHK-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C[C@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914676 813671963 /nfs/dbraw/zinc/67/19/63/813671963.db2.gz XEAIKQXXDVLDHK-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C[C@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914676 813671965 /nfs/dbraw/zinc/67/19/65/813671965.db2.gz XEAIKQXXDVLDHK-RYQLBKOJSA-N 1 3 272.436 3.064 20 0 CGADHO CC/C=C\CCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC001208137011 813703210 /nfs/dbraw/zinc/70/32/10/813703210.db2.gz FOEPKWVDLZACMX-PLNGDYQASA-N 1 3 273.424 3.258 20 0 CGADHO CCN(C)C1CC[NH+](C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208169424 813724012 /nfs/dbraw/zinc/72/40/12/813724012.db2.gz PGTHYVJIXKNYOD-JKSUJKDBSA-N 1 3 264.457 3.395 20 0 CGADHO Clc1cccc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC001210517934 814503713 /nfs/dbraw/zinc/50/37/13/814503713.db2.gz AZXJZBOOZUYPJZ-ZDUSSCGKSA-N 1 3 278.827 3.129 20 0 CGADHO C[C@@H]1C[C@H](Oc2ccc3ccccc3c2CN(C)C)C[NH2+]1 ZINC001218046422 816073601 /nfs/dbraw/zinc/07/36/01/816073601.db2.gz PJANBGJSRJVOPU-HIFRSBDPSA-N 1 3 284.403 3.031 20 0 CGADHO COc1c(C)cccc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320156 816408781 /nfs/dbraw/zinc/40/87/81/816408781.db2.gz BORNVVFPPKHQJH-GOSISDBHSA-N 1 3 288.435 3.112 20 0 CGADHO c1cc(C[N@@H+]2CCCC3(CCCC3)C2)cc2c1CNC2 ZINC001222400706 816433936 /nfs/dbraw/zinc/43/39/36/816433936.db2.gz FACGLMCHSLSUOA-UHFFFAOYSA-N 1 3 270.420 3.446 20 0 CGADHO c1cc(C[N@H+]2CCCC3(CCCC3)C2)cc2c1CNC2 ZINC001222400706 816433941 /nfs/dbraw/zinc/43/39/41/816433941.db2.gz FACGLMCHSLSUOA-UHFFFAOYSA-N 1 3 270.420 3.446 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC2(C)C)c1 ZINC001232144621 818265153 /nfs/dbraw/zinc/26/51/53/818265153.db2.gz LCPKVOBDRBXUBH-UHFFFAOYSA-N 1 3 264.388 3.262 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC2(C)C)c1 ZINC001232144621 818265157 /nfs/dbraw/zinc/26/51/57/818265157.db2.gz LCPKVOBDRBXUBH-UHFFFAOYSA-N 1 3 264.388 3.262 20 0 CGADHO CC/C=C\CCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033102 818985031 /nfs/dbraw/zinc/98/50/31/818985031.db2.gz SYTZNTKTGJLCIY-MJSXRHKHSA-N 1 3 250.430 3.198 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CCCC12CCNCC2 ZINC001235140737 819014650 /nfs/dbraw/zinc/01/46/50/819014650.db2.gz LTQRKZYXLBTLHX-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CCCC12CCNCC2 ZINC001235140737 819014658 /nfs/dbraw/zinc/01/46/58/819014658.db2.gz LTQRKZYXLBTLHX-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001235248585 819048383 /nfs/dbraw/zinc/04/83/83/819048383.db2.gz WUHGKKWSAVDGCK-SJLPKXTDSA-N 1 3 266.388 3.105 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235248585 819048387 /nfs/dbraw/zinc/04/83/87/819048387.db2.gz WUHGKKWSAVDGCK-SJLPKXTDSA-N 1 3 266.388 3.105 20 0 CGADHO c1ccc(C(C[N@@H+]2C[C@H]3CNCC[C@@H]32)c2ccccc2)cc1 ZINC001235254464 819051148 /nfs/dbraw/zinc/05/11/48/819051148.db2.gz BSFHRGKEDYGQOM-QUCCMNQESA-N 1 3 292.426 3.112 20 0 CGADHO c1ccc(C(C[N@H+]2C[C@H]3CNCC[C@@H]32)c2ccccc2)cc1 ZINC001235254464 819051154 /nfs/dbraw/zinc/05/11/54/819051154.db2.gz BSFHRGKEDYGQOM-QUCCMNQESA-N 1 3 292.426 3.112 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3CNCC[C@H]32)cc1 ZINC001235260979 819054604 /nfs/dbraw/zinc/05/46/04/819054604.db2.gz OQSZIKGRLXMBOI-ATZDWAIDSA-N 1 3 286.463 3.282 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3CNCC[C@H]32)cc1 ZINC001235260979 819054611 /nfs/dbraw/zinc/05/46/11/819054611.db2.gz OQSZIKGRLXMBOI-ATZDWAIDSA-N 1 3 286.463 3.282 20 0 CGADHO CC(C)=CCCC1=CC[C@H](CN2CC[C@H]([NH3+])C2)CC1 ZINC001235362946 819079713 /nfs/dbraw/zinc/07/97/13/819079713.db2.gz PMCAMFKBFPFIQJ-IRXDYDNUSA-N 1 3 262.441 3.492 20 0 CGADHO CC[C@H](C)C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363763 819079891 /nfs/dbraw/zinc/07/98/91/819079891.db2.gz UBJRMWZGYCUZCO-WDSOQIARSA-N 1 3 286.463 3.286 20 0 CGADHO CC[C@H](C)C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363763 819079898 /nfs/dbraw/zinc/07/98/98/819079898.db2.gz UBJRMWZGYCUZCO-WDSOQIARSA-N 1 3 286.463 3.286 20 0 CGADHO Cc1ccccc1-c1ccccc1CN(C)CCC[NH3+] ZINC001235435225 819097338 /nfs/dbraw/zinc/09/73/38/819097338.db2.gz CYBFGFQQNWLODO-UHFFFAOYSA-N 1 3 268.404 3.443 20 0 CGADHO c1ccc([C@H]2CCCN(CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667225 819133086 /nfs/dbraw/zinc/13/30/86/819133086.db2.gz WGLJXGMUAIHZQE-ROUUACIJSA-N 1 3 272.436 3.398 20 0 CGADHO CC[NH2+]C1CCN(C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001235725632 819153690 /nfs/dbraw/zinc/15/36/90/819153690.db2.gz LXVKVIIZNKCSHB-GJZGRUSLSA-N 1 3 250.430 3.053 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccccc2CCc2ccccc2)C1 ZINC001235748884 819160394 /nfs/dbraw/zinc/16/03/94/819160394.db2.gz DXYSSFOPNMQCRZ-SFHVURJKSA-N 1 3 294.442 3.252 20 0 CGADHO C[NH2+]C1CCN(CC[C@H]2CC=C(C)C2(C)C)CC1 ZINC001235789518 819169283 /nfs/dbraw/zinc/16/92/83/819169283.db2.gz UAKJBBVQKQHQRM-CQSZACIVSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H](CN(C)C[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842589 819183903 /nfs/dbraw/zinc/18/39/03/819183903.db2.gz PICWZZDDFNYUOA-HOTGVXAUSA-N 1 3 282.431 3.485 20 0 CGADHO Cc1ccc(-c2ccc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)o1 ZINC001235937490 819232900 /nfs/dbraw/zinc/23/29/00/819232900.db2.gz IFIZVNZQENBHBX-MSOLQXFVSA-N 1 3 296.414 3.296 20 0 CGADHO CN(CCC(C)(C)c1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235952556 819243324 /nfs/dbraw/zinc/24/33/24/819243324.db2.gz ZJOGEBWJCKFQEM-MRXNPFEDSA-N 1 3 274.452 3.286 20 0 CGADHO C[N@H+](CCC(C)(C)c1ccccc1)C[C@@H]1CCCNC1 ZINC001235952556 819243330 /nfs/dbraw/zinc/24/33/30/819243330.db2.gz ZJOGEBWJCKFQEM-MRXNPFEDSA-N 1 3 274.452 3.286 20 0 CGADHO C[N@@H+](CCC(C)(C)c1ccccc1)C[C@@H]1CCCNC1 ZINC001235952556 819243334 /nfs/dbraw/zinc/24/33/34/819243334.db2.gz ZJOGEBWJCKFQEM-MRXNPFEDSA-N 1 3 274.452 3.286 20 0 CGADHO CN(CCC[NH2+]C1CCCCC1)C[C@@H]1CC1(C)C ZINC001235959105 819247096 /nfs/dbraw/zinc/24/70/96/819247096.db2.gz SUVHAHDTARHPMM-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981910 819259014 /nfs/dbraw/zinc/25/90/14/819259014.db2.gz SOVYZAMXIPDGGT-RTBURBONSA-N 1 3 278.399 3.277 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981910 819259017 /nfs/dbraw/zinc/25/90/17/819259017.db2.gz SOVYZAMXIPDGGT-RTBURBONSA-N 1 3 278.399 3.277 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235985632 819259969 /nfs/dbraw/zinc/25/99/69/819259969.db2.gz BRHOXBVHLAEFLZ-MLGOLLRUSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235985632 819259973 /nfs/dbraw/zinc/25/99/73/819259973.db2.gz BRHOXBVHLAEFLZ-MLGOLLRUSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1cc(CN2CC3(C2)CCC[NH2+]CC3)cc(C)c1F ZINC001236010210 819274087 /nfs/dbraw/zinc/27/40/87/819274087.db2.gz STFHJEZYCUXQFC-UHFFFAOYSA-N 1 3 276.399 3.018 20 0 CGADHO C[C@@H]1C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@@H]1N ZINC001236094416 819311545 /nfs/dbraw/zinc/31/15/45/819311545.db2.gz TZFWDYHMXVPRNZ-DOMZBBRYSA-N 1 3 285.435 3.244 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@@H]1N ZINC001236094416 819311549 /nfs/dbraw/zinc/31/15/49/819311549.db2.gz TZFWDYHMXVPRNZ-DOMZBBRYSA-N 1 3 285.435 3.244 20 0 CGADHO CCc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236213703 819376982 /nfs/dbraw/zinc/37/69/82/819376982.db2.gz BCYYJYBFTDIXQA-DLBZAZTESA-N 1 3 285.435 3.432 20 0 CGADHO CCc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236213703 819376994 /nfs/dbraw/zinc/37/69/94/819376994.db2.gz BCYYJYBFTDIXQA-DLBZAZTESA-N 1 3 285.435 3.432 20 0 CGADHO C[N@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@H]1N ZINC001236217228 819381984 /nfs/dbraw/zinc/38/19/84/819381984.db2.gz OFZCKXWBYQGXOG-HUUCEWRRSA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@H]1N ZINC001236217228 819381987 /nfs/dbraw/zinc/38/19/87/819381987.db2.gz OFZCKXWBYQGXOG-HUUCEWRRSA-N 1 3 258.365 3.135 20 0 CGADHO CCN(CC[C@@H]1CCC[NH2+]C1)Cc1cccc(F)c1F ZINC001236240770 819400411 /nfs/dbraw/zinc/40/04/11/819400411.db2.gz MKAGRMCUBFZBJA-ZDUSSCGKSA-N 1 3 282.378 3.176 20 0 CGADHO CCCCc1ccc(CN(CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236409121 819456615 /nfs/dbraw/zinc/45/66/15/819456615.db2.gz RVECMWLUZNOOMB-SFHVURJKSA-N 1 3 274.452 3.461 20 0 CGADHO CCN(Cc1c(C)cc(OC)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236409798 819457815 /nfs/dbraw/zinc/45/78/15/819457815.db2.gz WVDRCOFIAPPSMA-MRXNPFEDSA-N 1 3 290.451 3.052 20 0 CGADHO Cc1ccc(O)cc1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459476 819486290 /nfs/dbraw/zinc/48/62/90/819486290.db2.gz QEGFWGANSVETFG-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO Cc1ccc(O)cc1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236459476 819486294 /nfs/dbraw/zinc/48/62/94/819486294.db2.gz QEGFWGANSVETFG-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO CCOCC[N@H+](CC1(C)CCCCC1)C1CCNCC1 ZINC001236460781 819486310 /nfs/dbraw/zinc/48/63/10/819486310.db2.gz RTKSLVRQQRYOMP-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CCOCC[N@@H+](CC1(C)CCCCC1)C1CCNCC1 ZINC001236460781 819486312 /nfs/dbraw/zinc/48/63/12/819486312.db2.gz RTKSLVRQQRYOMP-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO Fc1cccc(CCCN(C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584631 819545553 /nfs/dbraw/zinc/54/55/53/819545553.db2.gz MMEZAPIMAWKWIU-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1cccc(CCC[N@H+](C[C@@H]2CCCNC2)C2CC2)c1 ZINC001236584631 819545556 /nfs/dbraw/zinc/54/55/56/819545556.db2.gz MMEZAPIMAWKWIU-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1cccc(CCC[N@@H+](C[C@@H]2CCCNC2)C2CC2)c1 ZINC001236584631 819545561 /nfs/dbraw/zinc/54/55/61/819545561.db2.gz MMEZAPIMAWKWIU-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO Cc1cccc2c(CN(C[C@@H]3CCC[NH2+]C3)C3CC3)c[nH]c21 ZINC001236598499 819548286 /nfs/dbraw/zinc/54/82/86/819548286.db2.gz KCXZGNVFPYUEIN-OAHLLOKOSA-N 1 3 297.446 3.440 20 0 CGADHO Cc1cc(CN(C2CCC2)C2CC[NH2+]CC2)ccc1F ZINC001236633402 819557134 /nfs/dbraw/zinc/55/71/34/819557134.db2.gz GTBXYBRUAGYBGV-UHFFFAOYSA-N 1 3 276.399 3.241 20 0 CGADHO CCCCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001236820299 819607436 /nfs/dbraw/zinc/60/74/36/819607436.db2.gz PVVAVMPBAQZIFV-CGTJXYLNSA-N 1 3 288.435 3.035 20 0 CGADHO CCCN(Cc1c(C)[nH]c2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236833970 819613793 /nfs/dbraw/zinc/61/37/93/819613793.db2.gz DUMAJNZNBVBKIK-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1ccccc1-n1cccc1)C[C@H]1CC[NH2+]C1 ZINC001236841874 819619202 /nfs/dbraw/zinc/61/92/02/819619202.db2.gz AMBKUZCDWSJBCD-KRWDZBQOSA-N 1 3 297.446 3.299 20 0 CGADHO CCCN(Cc1cccc2occc21)C[C@H]1CC[NH2+]C1 ZINC001236845121 819620470 /nfs/dbraw/zinc/62/04/70/819620470.db2.gz YXYGCRZCCOURAG-AWEZNQCLSA-N 1 3 272.392 3.254 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2csc3ccccc23)C1 ZINC001237056887 819653607 /nfs/dbraw/zinc/65/36/07/819653607.db2.gz KYHNTKXAQYZGQY-MRXNPFEDSA-N 1 3 274.433 3.462 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cccc3sccc32)C1 ZINC001237080218 819662609 /nfs/dbraw/zinc/66/26/09/819662609.db2.gz FPUIFPAGYZIYGC-INIZCTEOSA-N 1 3 274.433 3.462 20 0 CGADHO Fc1ccc(C[C@@H]2CCCN2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001237246759 819710576 /nfs/dbraw/zinc/71/05/76/819710576.db2.gz CXVSCJATXWHEPU-MSOLQXFVSA-N 1 3 290.426 3.365 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c12 ZINC001237636824 819794978 /nfs/dbraw/zinc/79/49/78/819794978.db2.gz QRSWIWRMWGXBNF-QAPCUYQASA-N 1 3 295.430 3.069 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@H]4CCC[N@H+](C)[C@H]4C3)c12 ZINC001237636824 819794982 /nfs/dbraw/zinc/79/49/82/819794982.db2.gz QRSWIWRMWGXBNF-QAPCUYQASA-N 1 3 295.430 3.069 20 0 CGADHO CSCC[N@H+](C)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237889457 819873879 /nfs/dbraw/zinc/87/38/79/819873879.db2.gz LXCJDWRUNISIQF-UHFFFAOYSA-N 1 3 290.476 3.483 20 0 CGADHO CSCC[N@@H+](C)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237889457 819873891 /nfs/dbraw/zinc/87/38/91/819873891.db2.gz LXCJDWRUNISIQF-UHFFFAOYSA-N 1 3 290.476 3.483 20 0 CGADHO CC(C)(C)c1cccc(-c2cc(N3CC[NH2+]CC3)ccn2)c1 ZINC001241302264 821718030 /nfs/dbraw/zinc/71/80/30/821718030.db2.gz QQJXWGJJOQETFW-UHFFFAOYSA-N 1 3 295.430 3.456 20 0 CGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=CCN(C)CC2)nc1 ZINC001241313034 821723662 /nfs/dbraw/zinc/72/36/62/821723662.db2.gz UBFNLFYDXRJDNF-HNNXBMFYSA-N 1 3 285.435 3.175 20 0 CGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(C2=CCN(C)CC2)nc1 ZINC001241313034 821723670 /nfs/dbraw/zinc/72/36/70/821723670.db2.gz UBFNLFYDXRJDNF-HNNXBMFYSA-N 1 3 285.435 3.175 20 0 CGADHO [NH3+]Cc1ccc(-c2cc(N3CCCCC3)ccn2)cc1 ZINC001241912058 822211836 /nfs/dbraw/zinc/21/18/36/822211836.db2.gz FXAUXBQFEPVOEA-UHFFFAOYSA-N 1 3 267.376 3.198 20 0 CGADHO Nc1nc2cc(-c3cccc(C[NH+]4CCCC4)c3)ccc2[nH]1 ZINC001242122437 822885481 /nfs/dbraw/zinc/88/54/81/822885481.db2.gz KYAHKCRIZSFBRM-UHFFFAOYSA-N 1 3 292.386 3.408 20 0 CGADHO Nc1nc2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2[nH]1 ZINC001242122437 822885484 /nfs/dbraw/zinc/88/54/84/822885484.db2.gz KYAHKCRIZSFBRM-UHFFFAOYSA-N 1 3 292.386 3.408 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCC(F)F)CC1 ZINC001340131750 936398666 /nfs/dbraw/zinc/39/86/66/936398666.db2.gz IUNZELMHHYLXFS-UHFFFAOYSA-N 1 3 262.388 3.132 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CC[C@H](C)NC1)c1cccs1 ZINC000399019622 926754357 /nfs/dbraw/zinc/75/43/57/926754357.db2.gz DPUGDHFNQPRIFW-AVGNSLFASA-N 1 3 252.427 3.319 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590561 937492849 /nfs/dbraw/zinc/49/28/49/937492849.db2.gz XQYXEHPLEBZVMT-KZNAEPCWSA-N 1 3 290.426 3.488 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590561 937492851 /nfs/dbraw/zinc/49/28/51/937492851.db2.gz XQYXEHPLEBZVMT-KZNAEPCWSA-N 1 3 290.426 3.488 20 0 CGADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1 ZINC001461830554 937600404 /nfs/dbraw/zinc/60/04/04/937600404.db2.gz PPCOXYFIXOLTMZ-GUDVDZBRSA-N 1 3 286.463 3.315 20 0 CGADHO CCCN(CCC[NH+](C)C)CCc1cccc(F)c1 ZINC000337260782 932699092 /nfs/dbraw/zinc/69/90/92/932699092.db2.gz XHJSRTYVLRYZAE-UHFFFAOYSA-N 1 3 266.404 3.032 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001307875543 933013946 /nfs/dbraw/zinc/01/39/46/933013946.db2.gz PYQYMQGEVZOEEA-UHFFFAOYSA-N 1 3 275.440 3.420 20 0 CGADHO CCC(C)(C)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC001307875543 933013948 /nfs/dbraw/zinc/01/39/48/933013948.db2.gz PYQYMQGEVZOEEA-UHFFFAOYSA-N 1 3 275.440 3.420 20 0 CGADHO CN1CC[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011948 933033568 /nfs/dbraw/zinc/03/35/68/933033568.db2.gz UPJGWCHZKJWWLN-IEBWSBKVSA-N 1 3 280.415 3.366 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011948 933033575 /nfs/dbraw/zinc/03/35/75/933033575.db2.gz UPJGWCHZKJWWLN-IEBWSBKVSA-N 1 3 280.415 3.366 20 0 CGADHO C[C@@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041408 933039048 /nfs/dbraw/zinc/03/90/48/933039048.db2.gz SSOUGUWVRMUNKG-CVEARBPZSA-N 1 3 281.403 3.353 20 0 CGADHO FC(F)(F)c1ccccc1CNC[C@H]1C[NH+]2CCC1CC2 ZINC001462634360 937655295 /nfs/dbraw/zinc/65/52/95/937655295.db2.gz IXELDBWWDXNDCV-AWEZNQCLSA-N 1 3 298.352 3.137 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC001308784374 933175986 /nfs/dbraw/zinc/17/59/86/933175986.db2.gz GXKLWYIGGTWTGR-LJQANCHMSA-N 1 3 286.463 3.264 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC001308784374 933175988 /nfs/dbraw/zinc/17/59/88/933175988.db2.gz GXKLWYIGGTWTGR-LJQANCHMSA-N 1 3 286.463 3.264 20 0 CGADHO CC[N@H+](CCCN[C@H]1CSC[C@@H]1C)C1CCCCC1 ZINC001308850738 933188861 /nfs/dbraw/zinc/18/88/61/933188861.db2.gz KAHHLAODZLSPHH-HOCLYGCPSA-N 1 3 284.513 3.372 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CSC[C@@H]1C)C1CCCCC1 ZINC001308850738 933188864 /nfs/dbraw/zinc/18/88/64/933188864.db2.gz KAHHLAODZLSPHH-HOCLYGCPSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C(C)(C)C ZINC001308941546 933208651 /nfs/dbraw/zinc/20/86/51/933208651.db2.gz CPCREDLLDQXFHA-KLHKWILBSA-N 1 3 296.499 3.292 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001308966024 933214626 /nfs/dbraw/zinc/21/46/26/933214626.db2.gz LDXFOMVEDCRSAG-DJIMGWMZSA-N 1 3 264.457 3.134 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)c1cccc(Cl)c1 ZINC001308983348 933221143 /nfs/dbraw/zinc/22/11/43/933221143.db2.gz CLUQPQJCFVDYLM-JWZBEHFJSA-N 1 3 292.854 3.373 20 0 CGADHO C[C@H](C[NH2+]CCc1ccc(F)cc1)CN1CCCCC1 ZINC001319917694 933958874 /nfs/dbraw/zinc/95/88/74/933958874.db2.gz LVDSRGDMUXBJLV-OAHLLOKOSA-N 1 3 278.415 3.080 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001323904323 934436786 /nfs/dbraw/zinc/43/67/86/934436786.db2.gz NWHGHVQLUJWXMJ-BRWVUGGUSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001323904323 934436794 /nfs/dbraw/zinc/43/67/94/934436794.db2.gz NWHGHVQLUJWXMJ-BRWVUGGUSA-N 1 3 264.457 3.373 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cccn2C2CC2)CC1 ZINC001324426588 934502267 /nfs/dbraw/zinc/50/22/67/934502267.db2.gz XSNBRIXBERNKSP-UHFFFAOYSA-N 1 3 275.440 3.177 20 0 CGADHO C[C@H]1CCC[C@H](CCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001473278828 937799982 /nfs/dbraw/zinc/79/99/82/937799982.db2.gz NBGCPUFRVYNYTI-DLBZAZTESA-N 1 3 287.451 3.420 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC001329421161 935214731 /nfs/dbraw/zinc/21/47/31/935214731.db2.gz ZTUAXXMJWFDIMZ-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC001329421161 935214734 /nfs/dbraw/zinc/21/47/34/935214734.db2.gz ZTUAXXMJWFDIMZ-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC001329421161 935214737 /nfs/dbraw/zinc/21/47/37/935214737.db2.gz ZTUAXXMJWFDIMZ-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO Cc1cc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001333161707 935514912 /nfs/dbraw/zinc/51/49/12/935514912.db2.gz RKONTRDPLYNFHS-OAHLLOKOSA-N 1 3 266.454 3.253 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CCC(C)(C)CO2)CC1 ZINC001474685034 937874940 /nfs/dbraw/zinc/87/49/40/937874940.db2.gz MCWXVFYBHAPVSR-QGZVFWFLSA-N 1 3 296.499 3.292 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001474759664 937879056 /nfs/dbraw/zinc/87/90/56/937879056.db2.gz TWXSCFZMYLZPDR-GJZGRUSLSA-N 1 3 280.431 3.467 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001474759666 937879197 /nfs/dbraw/zinc/87/91/97/937879197.db2.gz TWXSCFZMYLZPDR-LSDHHAIUSA-N 1 3 280.431 3.467 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001474759665 937879318 /nfs/dbraw/zinc/87/93/18/937879318.db2.gz TWXSCFZMYLZPDR-HUUCEWRRSA-N 1 3 280.431 3.467 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)s1 ZINC001549037174 938154672 /nfs/dbraw/zinc/15/46/72/938154672.db2.gz POJIUYKXXFZAAT-JKSUJKDBSA-N 1 3 290.407 3.122 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H](N)C2)s1 ZINC001549037174 938154673 /nfs/dbraw/zinc/15/46/73/938154673.db2.gz POJIUYKXXFZAAT-JKSUJKDBSA-N 1 3 290.407 3.122 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3ccc(F)cc3)C1)[NH2+]2 ZINC001550473957 938166799 /nfs/dbraw/zinc/16/67/99/938166799.db2.gz XHGZAMUEMATOBD-XPMGTNJCSA-N 1 3 288.410 3.190 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001550540379 938167654 /nfs/dbraw/zinc/16/76/54/938167654.db2.gz CJZYXKXWYVHFES-HLLBOEOZSA-N 1 3 276.399 3.160 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001550540379 938167655 /nfs/dbraw/zinc/16/76/55/938167655.db2.gz CJZYXKXWYVHFES-HLLBOEOZSA-N 1 3 276.399 3.160 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001553025850 938196115 /nfs/dbraw/zinc/19/61/15/938196115.db2.gz JTEYJYOYUPHAGD-RQJABVFESA-N 1 3 286.410 3.178 20 0 CGADHO Fc1ccc2oc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2c1 ZINC001560262620 938249896 /nfs/dbraw/zinc/24/98/96/938249896.db2.gz JHBHYQUZYWPCLS-GFCCVEGCSA-N 1 3 288.366 3.146 20 0 CGADHO CCC1(CC)[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C[C@@H]1OC ZINC001560751170 938273902 /nfs/dbraw/zinc/27/39/02/938273902.db2.gz PENVKXUMCDEAPZ-ZACQAIPSSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1ccccc1CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001560987325 938288158 /nfs/dbraw/zinc/28/81/58/938288158.db2.gz VYRUFFPIHWTERC-INIZCTEOSA-N 1 3 281.403 3.101 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001561053360 938292380 /nfs/dbraw/zinc/29/23/80/938292380.db2.gz UXWVXSAWJUPFJK-GDAAHCPNSA-N 1 3 286.463 3.246 20 0 CGADHO NC[C@@]12C[N@H+](CCC3CCCCC3)C[C@H]1CCCC2 ZINC001580256103 960486319 /nfs/dbraw/zinc/48/63/19/960486319.db2.gz RCBDDQYNZOZHFJ-SJORKVTESA-N 1 3 264.457 3.408 20 0 CGADHO NC[C@@]12C[N@@H+](CCC3CCCCC3)C[C@H]1CCCC2 ZINC001580256103 960486327 /nfs/dbraw/zinc/48/63/27/960486327.db2.gz RCBDDQYNZOZHFJ-SJORKVTESA-N 1 3 264.457 3.408 20 0 CGADHO NC[C@H]([NH2+]Cc1ccsc1C(F)(F)F)C1CCCC1 ZINC001580228916 960487419 /nfs/dbraw/zinc/48/74/19/960487419.db2.gz GOUAFPKTZMZYQO-NSHDSACASA-N 1 3 292.370 3.374 20 0 CGADHO CC(C)(C)C(C)(C)C[NH2+]Cc1cc(C(C)(C)N)no1 ZINC001575365278 962363555 /nfs/dbraw/zinc/36/35/55/962363555.db2.gz HYCHYIREFYQTNA-UHFFFAOYSA-N 1 3 267.417 3.030 20 0 CGADHO CC(C)(N)c1cc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)on1 ZINC001575365022 962366420 /nfs/dbraw/zinc/36/64/20/962366420.db2.gz AYVJGKQATKJODB-CQSZACIVSA-N 1 3 291.439 3.413 20 0 CGADHO CC(C)(N)c1cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)on1 ZINC001575365022 962366441 /nfs/dbraw/zinc/36/64/41/962366441.db2.gz AYVJGKQATKJODB-CQSZACIVSA-N 1 3 291.439 3.413 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+](C)CCCCc1ccccc1 ZINC001575423466 962373458 /nfs/dbraw/zinc/37/34/58/962373458.db2.gz UPZDTOPMYUWZEO-KRWDZBQOSA-N 1 3 262.441 3.172 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+](C)CCCCc1ccccc1 ZINC001575423466 962373484 /nfs/dbraw/zinc/37/34/84/962373484.db2.gz UPZDTOPMYUWZEO-KRWDZBQOSA-N 1 3 262.441 3.172 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001575421684 962377538 /nfs/dbraw/zinc/37/75/38/962377538.db2.gz BFSGHMRMYBLRJC-GJZGRUSLSA-N 1 3 280.843 3.360 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001575421684 962377562 /nfs/dbraw/zinc/37/75/62/962377562.db2.gz BFSGHMRMYBLRJC-GJZGRUSLSA-N 1 3 280.843 3.360 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC001575422257 962380497 /nfs/dbraw/zinc/38/04/97/962380497.db2.gz GPONVFWBDXBARC-NUEKZKHPSA-N 1 3 278.415 3.234 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC001575422257 962380517 /nfs/dbraw/zinc/38/05/17/962380517.db2.gz GPONVFWBDXBARC-NUEKZKHPSA-N 1 3 278.415 3.234 20 0 CGADHO CC(C)[C@H](CN)C[NH2+]CC1CCc2ccccc2CC1 ZINC001575423128 962382077 /nfs/dbraw/zinc/38/20/77/962382077.db2.gz QEDPZCSJLNIFOS-GOSISDBHSA-N 1 3 274.452 3.002 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCC(=O)OC(C)(C)C ZINC001575934396 962419095 /nfs/dbraw/zinc/41/90/95/962419095.db2.gz PMHXBGKMCOISON-LSDHHAIUSA-N 1 3 298.471 3.009 20 0 CGADHO C[C@H](c1ncc(-c2ccccc2)o1)N(C)CC1CC[NH2+]CC1 ZINC001576316738 962445201 /nfs/dbraw/zinc/44/52/01/962445201.db2.gz SLLWYBWXRQLYSF-CQSZACIVSA-N 1 3 299.418 3.334 20 0 CGADHO CCC(CC)[C@H]1C[C@@H]([NH2+]CC(CC)(CC)CN)CCO1 ZINC001577068124 962505863 /nfs/dbraw/zinc/50/58/63/962505863.db2.gz BAHOLKQUFYUGNK-JKSUJKDBSA-N 1 3 284.488 3.325 20 0 CGADHO CCCN(Cc1ccc(OC)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC001577526670 962554889 /nfs/dbraw/zinc/55/48/89/962554889.db2.gz BERRMLAYELDCGA-QGZVFWFLSA-N 1 3 290.451 3.297 20 0 CGADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](N)CCC(C)(C)C ZINC001579132958 962608980 /nfs/dbraw/zinc/60/89/80/962608980.db2.gz JSAHUTNAVRYDIA-OIISXLGYSA-N 1 3 290.451 3.042 20 0 CGADHO COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150393 962609884 /nfs/dbraw/zinc/60/98/84/962609884.db2.gz JBFMBFOEBVJVAC-XJKSGUPXSA-N 1 3 284.403 3.018 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3C[C@@H]([NH3+])C34CCC4)C2)cc1 ZINC001579677807 962656974 /nfs/dbraw/zinc/65/69/74/962656974.db2.gz CPLRRBKEJWNLJW-BACDZXNISA-N 1 3 270.420 3.101 20 0 CGADHO Fc1ccc(F)c(CNCCC2CC[NH2+]CC2)c1Cl ZINC001580031094 962690610 /nfs/dbraw/zinc/69/06/10/962690610.db2.gz UISBTMFVRLHEIC-UHFFFAOYSA-N 1 3 288.769 3.098 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2CN[C@@H]2CCC[NH2+]C2)cc1 ZINC001580892998 962739807 /nfs/dbraw/zinc/73/98/07/962739807.db2.gz OXVODDQLZFCULN-KSZLIROESA-N 1 3 272.436 3.302 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1 ZINC000422794074 282121423 /nfs/dbraw/zinc/12/14/23/282121423.db2.gz GFUXWEWQHRCWLV-DOTOQJQBSA-N 1 3 274.452 3.461 20 0 CGADHO C[C@@]1(C[NH3+])CCN(CCCOc2cccc3ccccc32)C1 ZINC000337778761 214257572 /nfs/dbraw/zinc/25/75/72/214257572.db2.gz ZPGOWSYWEYPYDB-IBGZPJMESA-N 1 3 298.430 3.279 20 0 CGADHO C[C@@]1(CN)CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000337778761 214257574 /nfs/dbraw/zinc/25/75/74/214257574.db2.gz ZPGOWSYWEYPYDB-IBGZPJMESA-N 1 3 298.430 3.279 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000337778761 214257577 /nfs/dbraw/zinc/25/75/77/214257577.db2.gz ZPGOWSYWEYPYDB-IBGZPJMESA-N 1 3 298.430 3.279 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000651750123 398281645 /nfs/dbraw/zinc/28/16/45/398281645.db2.gz XCRHRYYGCSIRDF-QGZVFWFLSA-N 1 3 292.467 3.289 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2cc3cnccc3o2)CCCC1 ZINC000651762448 398284183 /nfs/dbraw/zinc/28/41/83/398284183.db2.gz VTVDDNGHKWPIHB-UHFFFAOYSA-N 1 3 287.407 3.039 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cccc3c2CCC3)CC1 ZINC000651778851 398286194 /nfs/dbraw/zinc/28/61/94/398286194.db2.gz LQFVRVSUMJBDJE-UHFFFAOYSA-N 1 3 284.447 3.236 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cccc3c2CCC3)CC1 ZINC000651778851 398286196 /nfs/dbraw/zinc/28/61/96/398286196.db2.gz LQFVRVSUMJBDJE-UHFFFAOYSA-N 1 3 284.447 3.236 20 0 CGADHO COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[C@H](C)N)cc1F ZINC000622045243 349623163 /nfs/dbraw/zinc/62/31/63/349623163.db2.gz JOMLHJQQFWHFRL-JGGQBBKZSA-N 1 3 294.414 3.187 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000651864857 398298221 /nfs/dbraw/zinc/29/82/21/398298221.db2.gz HCUSJKRIBVLVIX-OAHLLOKOSA-N 1 3 299.462 3.203 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000651864857 398298222 /nfs/dbraw/zinc/29/82/22/398298222.db2.gz HCUSJKRIBVLVIX-OAHLLOKOSA-N 1 3 299.462 3.203 20 0 CGADHO CC(C)CN(C)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000651866004 398299125 /nfs/dbraw/zinc/29/91/25/398299125.db2.gz QAECPDDATWMSQZ-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423475807 529453596 /nfs/dbraw/zinc/45/35/96/529453596.db2.gz SDNAONBFPIDCKV-SKDRFNHKSA-N 1 3 260.303 3.093 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000423481538 529569020 /nfs/dbraw/zinc/56/90/20/529569020.db2.gz WUHISETUTYTYMC-ZIAGYGMSSA-N 1 3 254.805 3.364 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3o2)CC1(C)C ZINC000623358574 349787874 /nfs/dbraw/zinc/78/78/74/349787874.db2.gz GURKDJSTKCAMOI-AWEZNQCLSA-N 1 3 272.392 3.395 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccncc1Cl ZINC000623358269 349788014 /nfs/dbraw/zinc/78/80/14/349788014.db2.gz WIKPGVYFAOPQDU-CQSZACIVSA-N 1 3 295.858 3.479 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccncc1Cl ZINC000623358269 349788018 /nfs/dbraw/zinc/78/80/18/349788018.db2.gz WIKPGVYFAOPQDU-CQSZACIVSA-N 1 3 295.858 3.479 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423391103 529657341 /nfs/dbraw/zinc/65/73/41/529657341.db2.gz PHYXZBDSDAPREZ-KFWWJZLASA-N 1 3 292.423 3.014 20 0 CGADHO C[NH+](C)CCCCNCc1ccsc1C(F)(F)F ZINC000623383440 349794704 /nfs/dbraw/zinc/79/47/04/349794704.db2.gz UPACLOCKKBDDAA-UHFFFAOYSA-N 1 3 280.359 3.198 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)s1 ZINC000424375332 529722304 /nfs/dbraw/zinc/72/23/04/529722304.db2.gz MUZWAJSJGFJKBC-CYZMBNFOSA-N 1 3 252.427 3.231 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000414174197 529807075 /nfs/dbraw/zinc/80/70/75/529807075.db2.gz XVNANSCHZGFEOK-XWJBARJFSA-N 1 3 288.410 3.144 20 0 CGADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000414174197 529807076 /nfs/dbraw/zinc/80/70/76/529807076.db2.gz XVNANSCHZGFEOK-XWJBARJFSA-N 1 3 288.410 3.144 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657348 349859703 /nfs/dbraw/zinc/85/97/03/349859703.db2.gz OJSVMKIYSVTGKD-ULQDDVLXSA-N 1 3 264.457 3.300 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000623655039 349856881 /nfs/dbraw/zinc/85/68/81/349856881.db2.gz MSIFLHIWPAURID-CQSZACIVSA-N 1 3 266.816 3.162 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000623656824 349857969 /nfs/dbraw/zinc/85/79/69/349857969.db2.gz CPHWQFAMDQJHOJ-GJZGRUSLSA-N 1 3 278.415 3.251 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](C)CCCOCc1ccccc1 ZINC000439487995 529894225 /nfs/dbraw/zinc/89/42/25/529894225.db2.gz XPQQNVSIPXJRPW-GOSISDBHSA-N 1 3 290.451 3.009 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](C)CCCOCc1ccccc1 ZINC000439487995 529894226 /nfs/dbraw/zinc/89/42/26/529894226.db2.gz XPQQNVSIPXJRPW-GOSISDBHSA-N 1 3 290.451 3.009 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2nc(C)cs2)CC1 ZINC000623899984 349910493 /nfs/dbraw/zinc/91/04/93/349910493.db2.gz ZNIGRXRSMHBSAS-CYBMUJFWSA-N 1 3 281.469 3.224 20 0 CGADHO C[NH+]1CCC2(CCCN(Cc3ccccc3F)C2)CC1 ZINC000369722783 530051078 /nfs/dbraw/zinc/05/10/78/530051078.db2.gz SXZIFJDDOQBZTK-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000040623231 344964179 /nfs/dbraw/zinc/96/41/79/344964179.db2.gz DTYYYWOFWHTJOD-KRWDZBQOSA-N 1 3 274.452 3.432 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000040623231 344964182 /nfs/dbraw/zinc/96/41/82/344964182.db2.gz DTYYYWOFWHTJOD-KRWDZBQOSA-N 1 3 274.452 3.432 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000044517485 345012182 /nfs/dbraw/zinc/01/21/82/345012182.db2.gz SWBGQMREDYILAC-HNNXBMFYSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534863 345012673 /nfs/dbraw/zinc/01/26/73/345012673.db2.gz ZRVRILRDMXMDEC-CVEARBPZSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534863 345012675 /nfs/dbraw/zinc/01/26/75/345012675.db2.gz ZRVRILRDMXMDEC-CVEARBPZSA-N 1 3 290.451 3.466 20 0 CGADHO C[NH2+]C[C@H]1CCN([C@H](C)c2cccc3ccccc32)C1 ZINC000071142313 345402793 /nfs/dbraw/zinc/40/27/93/345402793.db2.gz MHTDOIUWFDWYNU-HUUCEWRRSA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@H]1CC[N@@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000071142313 345402795 /nfs/dbraw/zinc/40/27/95/345402795.db2.gz MHTDOIUWFDWYNU-HUUCEWRRSA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@H]1CC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000071142313 345402796 /nfs/dbraw/zinc/40/27/96/345402796.db2.gz MHTDOIUWFDWYNU-HUUCEWRRSA-N 1 3 268.404 3.442 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169257 232226361 /nfs/dbraw/zinc/22/63/61/232226361.db2.gz OPGYLELBNDOWBX-LALPHHSUSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000156169257 232226363 /nfs/dbraw/zinc/22/63/63/232226363.db2.gz OPGYLELBNDOWBX-LALPHHSUSA-N 1 3 266.816 3.473 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccnc1 ZINC000091288089 345809836 /nfs/dbraw/zinc/80/98/36/345809836.db2.gz KWDYLIAERFOBFL-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccnc1 ZINC000091367784 345812250 /nfs/dbraw/zinc/81/22/50/345812250.db2.gz XTOVTXLRRXHTPV-IKGGRYGDSA-N 1 3 275.440 3.241 20 0 CGADHO CC(C)[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000089214579 345766522 /nfs/dbraw/zinc/76/65/22/345766522.db2.gz QIBCBQRBXJJPMQ-SFHVURJKSA-N 1 3 287.451 3.322 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000089559957 345770781 /nfs/dbraw/zinc/77/07/81/345770781.db2.gz ISHIEJHSLJROFE-INIZCTEOSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000168946621 232265356 /nfs/dbraw/zinc/26/53/56/232265356.db2.gz FXYRTAJTIPUMLL-XOKHGSTOSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000168946621 232265357 /nfs/dbraw/zinc/26/53/57/232265357.db2.gz FXYRTAJTIPUMLL-XOKHGSTOSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000093215510 345872799 /nfs/dbraw/zinc/87/27/99/345872799.db2.gz LLDBEDBLOOXQFK-DDTOSNHZSA-N 1 3 297.240 3.370 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000173918816 232291876 /nfs/dbraw/zinc/29/18/76/232291876.db2.gz SXFPEXSZPRFNTP-HOTGVXAUSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000173918816 232291877 /nfs/dbraw/zinc/29/18/77/232291877.db2.gz SXFPEXSZPRFNTP-HOTGVXAUSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000113515677 345961049 /nfs/dbraw/zinc/96/10/49/345961049.db2.gz CTBQGKXWRXQOOV-SFHVURJKSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000113515677 345961050 /nfs/dbraw/zinc/96/10/50/345961050.db2.gz CTBQGKXWRXQOOV-SFHVURJKSA-N 1 3 274.452 3.269 20 0 CGADHO CC1CCN(C/C=C/C[NH+]2CCC(C)CC2)CC1 ZINC000132607386 346072470 /nfs/dbraw/zinc/07/24/70/346072470.db2.gz XNZCFXTWZZYKIT-ONEGZZNKSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000252199394 346390594 /nfs/dbraw/zinc/39/05/94/346390594.db2.gz WAKDYSOZVPJJIP-MUJYYYPQSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000252199394 346390597 /nfs/dbraw/zinc/39/05/97/346390597.db2.gz WAKDYSOZVPJJIP-MUJYYYPQSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)C[C@H](C)O1 ZINC000252199394 346390599 /nfs/dbraw/zinc/39/05/99/346390599.db2.gz WAKDYSOZVPJJIP-MUJYYYPQSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000253354710 346393934 /nfs/dbraw/zinc/39/39/34/346393934.db2.gz HZAHUCSSOMZOJJ-DJIMGWMZSA-N 1 3 260.425 3.253 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1 ZINC000624119706 349975553 /nfs/dbraw/zinc/97/55/53/349975553.db2.gz HNENKWPLUYQBRA-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000624119706 349975557 /nfs/dbraw/zinc/97/55/57/349975557.db2.gz HNENKWPLUYQBRA-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119706 349975560 /nfs/dbraw/zinc/97/55/60/349975560.db2.gz HNENKWPLUYQBRA-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000351863697 219229585 /nfs/dbraw/zinc/22/95/85/219229585.db2.gz UOHLYVPLCHOTFW-WBVHZDCISA-N 1 3 298.430 3.278 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)[C@H](C)OC)cc1 ZINC000128685422 187384370 /nfs/dbraw/zinc/38/43/70/187384370.db2.gz ZXBPXJWCDYJIGN-GJZGRUSLSA-N 1 3 278.440 3.041 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000624121400 349978820 /nfs/dbraw/zinc/97/88/20/349978820.db2.gz VJQZGDNJDQWLBU-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121426 349978561 /nfs/dbraw/zinc/97/85/61/349978561.db2.gz WFZRTXMMEXLGCI-HZPDHXFCSA-N 1 3 252.446 3.443 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121846 349980415 /nfs/dbraw/zinc/98/04/15/349980415.db2.gz DVWMHRXGZSUWCA-PXAZEXFGSA-N 1 3 294.389 3.274 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cs1 ZINC000624123237 349983019 /nfs/dbraw/zinc/98/30/19/349983019.db2.gz IHQSVDGZAAKHKE-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO [NH3+]CC[C@H]1CCCN(CCCc2c(F)cccc2Cl)C1 ZINC000339409210 215153824 /nfs/dbraw/zinc/15/38/24/215153824.db2.gz XWQAONBULKUUKA-CYBMUJFWSA-N 1 3 298.833 3.473 20 0 CGADHO Cc1cc(C)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000607358235 348235599 /nfs/dbraw/zinc/23/55/99/348235599.db2.gz WAJFYENFUJGHEP-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO Cc1cc(C)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000607358235 348235601 /nfs/dbraw/zinc/23/56/01/348235601.db2.gz WAJFYENFUJGHEP-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO Clc1ccc(CCN[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000128859411 187395151 /nfs/dbraw/zinc/39/51/51/187395151.db2.gz DGFJMBZQZUFRSC-ZDUSSCGKSA-N 1 3 287.234 3.268 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358505584 233146785 /nfs/dbraw/zinc/14/67/85/233146785.db2.gz KHIOCJOARMTHNX-CYBMUJFWSA-N 1 3 278.827 3.477 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1 ZINC000628425559 350536383 /nfs/dbraw/zinc/53/63/83/350536383.db2.gz ORAWUWXPKPGKOK-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)Sc1ccc([C@@H](C)NCCOCCC[NH3+])cc1 ZINC000629538034 350705934 /nfs/dbraw/zinc/70/59/34/350705934.db2.gz LSESDSZUBPCVTJ-CQSZACIVSA-N 1 3 296.480 3.203 20 0 CGADHO Cc1cccc(C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540747 350707584 /nfs/dbraw/zinc/70/75/84/350707584.db2.gz SPBLITMEICDWLS-WBAXXEDZSA-N 1 3 272.436 3.046 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(OC)cc1 ZINC000629540966 350707639 /nfs/dbraw/zinc/70/76/39/350707639.db2.gz ZEOPHYKWGPXWME-KMFMINBZSA-N 1 3 276.424 3.267 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)CC3 ZINC000629542783 350708296 /nfs/dbraw/zinc/70/82/96/350708296.db2.gz LPZWPJMDPJCNNL-RBSFLKMASA-N 1 3 297.446 3.064 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550251 350711260 /nfs/dbraw/zinc/71/12/60/350711260.db2.gz KQYIITHIHPLJCQ-QZTJIDSGSA-N 1 3 295.430 3.498 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556587 350712796 /nfs/dbraw/zinc/71/27/96/350712796.db2.gz TVZLAMPIGHWJLS-WDEREUQCSA-N 1 3 279.815 3.079 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555825 350712823 /nfs/dbraw/zinc/71/28/23/350712823.db2.gz FXWMVTYIYHJCFD-UEKVPHQBSA-N 1 3 266.816 3.433 20 0 CGADHO CC(C)(CCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000629566081 350713592 /nfs/dbraw/zinc/71/35/92/350713592.db2.gz YDAZZFZIXVCNTD-AAEUAGOBSA-N 1 3 292.389 3.272 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629564900 350713834 /nfs/dbraw/zinc/71/38/34/350713834.db2.gz VPUVZZFYBGMCAB-ZIAGYGMSSA-N 1 3 292.389 3.416 20 0 CGADHO [NH3+]C[C@H]1CN(CC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629560146 350713957 /nfs/dbraw/zinc/71/39/57/350713957.db2.gz DFLXKBRWLIWWTM-STQMWFEESA-N 1 3 278.362 3.026 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000629514791 350700085 /nfs/dbraw/zinc/70/00/85/350700085.db2.gz OWADREFJXWVFDD-QZWWFDLISA-N 1 3 272.436 3.286 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629514791 350700089 /nfs/dbraw/zinc/70/00/89/350700089.db2.gz OWADREFJXWVFDD-QZWWFDLISA-N 1 3 272.436 3.286 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)cc1 ZINC000631227917 350999714 /nfs/dbraw/zinc/99/97/14/350999714.db2.gz UZMJJPUUVGXCRJ-SJLPKXTDSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)F ZINC000631661037 351109066 /nfs/dbraw/zinc/10/90/66/351109066.db2.gz ZVVHANCXCSDUPA-GDBMZVCRSA-N 1 3 278.415 3.235 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)F ZINC000631661037 351109069 /nfs/dbraw/zinc/10/90/69/351109069.db2.gz ZVVHANCXCSDUPA-GDBMZVCRSA-N 1 3 278.415 3.235 20 0 CGADHO CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc(OC)c1OC ZINC000631575484 351073143 /nfs/dbraw/zinc/07/31/43/351073143.db2.gz GEFYRKMFJBVANI-DZGCQCFKSA-N 1 3 294.439 3.085 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000634679302 351564594 /nfs/dbraw/zinc/56/45/94/351564594.db2.gz QHFSEAISQNQOGC-KRWDZBQOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)c1ccccc1 ZINC000634734012 351579753 /nfs/dbraw/zinc/57/97/53/351579753.db2.gz URVWBTNPJQBLTM-GDBMZVCRSA-N 1 3 260.425 3.158 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCCCC[C@H](N)C3)ccc2n1 ZINC000634997009 351620728 /nfs/dbraw/zinc/62/07/28/351620728.db2.gz AYZBQHVYAKXLPC-KRWDZBQOSA-N 1 3 283.419 3.247 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCCCC[C@H](N)C3)ccc2n1 ZINC000634997009 351620730 /nfs/dbraw/zinc/62/07/30/351620730.db2.gz AYZBQHVYAKXLPC-KRWDZBQOSA-N 1 3 283.419 3.247 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006701 351624538 /nfs/dbraw/zinc/62/45/38/351624538.db2.gz MWKWHETYKKGYLS-GXTWGEPZSA-N 1 3 288.357 3.267 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000635006220 351624940 /nfs/dbraw/zinc/62/49/40/351624940.db2.gz BEHWZYHBJVLXGA-KSSFIOAISA-N 1 3 290.426 3.340 20 0 CGADHO COc1cccc([C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000635007369 351625685 /nfs/dbraw/zinc/62/56/85/351625685.db2.gz WDTSLSCWHSHORQ-QAPCUYQASA-N 1 3 298.430 3.306 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CCC1 ZINC000635009487 351627069 /nfs/dbraw/zinc/62/70/69/351627069.db2.gz VUCHZRRLLQLSLP-IRXDYDNUSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000635011334 351629525 /nfs/dbraw/zinc/62/95/25/351629525.db2.gz NFUNOMZVMQRPKJ-RYUDHWBXSA-N 1 3 252.427 3.177 20 0 CGADHO c1cc2c(o1)CCC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635013002 351630382 /nfs/dbraw/zinc/63/03/82/351630382.db2.gz YIKVNHFMNFXGAG-QGZVFWFLSA-N 1 3 282.387 3.093 20 0 CGADHO CCC[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC000635012528 351630943 /nfs/dbraw/zinc/63/09/43/351630943.db2.gz VPRJOPMMTXBKNC-IBGZPJMESA-N 1 3 295.430 3.358 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000635013380 351632053 /nfs/dbraw/zinc/63/20/53/351632053.db2.gz YEMQFPKKNKKGCP-AWEZNQCLSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(CO)c1 ZINC000121861095 187000788 /nfs/dbraw/zinc/00/07/88/187000788.db2.gz QYHWPWUIAGONSN-RHSMWYFYSA-N 1 3 292.467 3.196 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000123706729 187105261 /nfs/dbraw/zinc/10/52/61/187105261.db2.gz VLDVRRATTQIVEL-INIZCTEOSA-N 1 3 290.451 3.184 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000339905514 215389793 /nfs/dbraw/zinc/38/97/93/215389793.db2.gz LUCPVNNOYDELBW-SFHVURJKSA-N 1 3 272.436 3.159 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000339905514 215389795 /nfs/dbraw/zinc/38/97/95/215389795.db2.gz LUCPVNNOYDELBW-SFHVURJKSA-N 1 3 272.436 3.159 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccncc2)c1 ZINC000156610851 188272100 /nfs/dbraw/zinc/27/21/00/188272100.db2.gz YKHQWEHNMZDBBI-OAHLLOKOSA-N 1 3 283.419 3.384 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccncc2)c1 ZINC000156610851 188272101 /nfs/dbraw/zinc/27/21/01/188272101.db2.gz YKHQWEHNMZDBBI-OAHLLOKOSA-N 1 3 283.419 3.384 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000271818918 191346331 /nfs/dbraw/zinc/34/63/31/191346331.db2.gz BYYSOSQIFRUXLO-SNVBAGLBSA-N 1 3 284.325 3.016 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000271818918 191346334 /nfs/dbraw/zinc/34/63/34/191346334.db2.gz BYYSOSQIFRUXLO-SNVBAGLBSA-N 1 3 284.325 3.016 20 0 CGADHO Cc1occc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414288326 235380335 /nfs/dbraw/zinc/38/03/35/235380335.db2.gz PSGXBVYATAIKIB-GASCZTMLSA-N 1 3 278.440 3.436 20 0 CGADHO Cc1occc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414288326 235380339 /nfs/dbraw/zinc/38/03/39/235380339.db2.gz PSGXBVYATAIKIB-GASCZTMLSA-N 1 3 278.440 3.436 20 0 CGADHO C[NH+]1CCC(CCNCc2c(F)cccc2Cl)CC1 ZINC000105454879 138352277 /nfs/dbraw/zinc/35/22/77/138352277.db2.gz HKUVXHOUHZYUMA-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO C[NH+]1CCC(CCNCc2cc3ccccc3o2)CC1 ZINC000105454675 138352706 /nfs/dbraw/zinc/35/27/06/138352706.db2.gz AAHFHKNOQUERRP-UHFFFAOYSA-N 1 3 272.392 3.254 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CNCCC2CC[NH+](C)CC2)o1 ZINC000105454646 138352709 /nfs/dbraw/zinc/35/27/09/138352709.db2.gz SCPGCTFOACQQRL-XJKSGUPXSA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000110644834 138363381 /nfs/dbraw/zinc/36/33/81/138363381.db2.gz MKLFZKYJWFZUOS-MNOVXSKESA-N 1 3 268.351 3.085 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000126571600 138386239 /nfs/dbraw/zinc/38/62/39/138386239.db2.gz YMXVQENWXDMUDW-JKSUJKDBSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000126571600 138386240 /nfs/dbraw/zinc/38/62/40/138386240.db2.gz YMXVQENWXDMUDW-JKSUJKDBSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000126571600 138386241 /nfs/dbraw/zinc/38/62/41/138386241.db2.gz YMXVQENWXDMUDW-JKSUJKDBSA-N 1 3 290.451 3.177 20 0 CGADHO Cc1cc([C@H](C)NCC[C@H](C)[NH3+])sc1Br ZINC000423226016 236002260 /nfs/dbraw/zinc/00/22/60/236002260.db2.gz PCMNHUYAMKILQM-IUCAKERBSA-N 1 3 291.258 3.207 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000423268062 236014944 /nfs/dbraw/zinc/01/49/44/236014944.db2.gz DKVZYPDQLLGOSG-OBJOEFQTSA-N 1 3 252.427 3.225 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423270159 236016837 /nfs/dbraw/zinc/01/68/37/236016837.db2.gz GFPVDIYVQIGZPD-IFIJOSMWSA-N 1 3 296.405 3.393 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310696 236033478 /nfs/dbraw/zinc/03/34/78/236033478.db2.gz ASNGIFULXVMGSM-TVQRCGJNSA-N 1 3 272.314 3.093 20 0 CGADHO [NH3+][C@H](CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423319596 236037049 /nfs/dbraw/zinc/03/70/49/236037049.db2.gz LSLPZTMVUBHUQF-CWRNSKLLSA-N 1 3 278.827 3.303 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccc(C2CC2)c1 ZINC000423387134 236059890 /nfs/dbraw/zinc/05/98/90/236059890.db2.gz HPFSEEDHWQGUDQ-GDZNZVCISA-N 1 3 258.409 3.213 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c2ccccc12 ZINC000423392711 236060920 /nfs/dbraw/zinc/06/09/20/236060920.db2.gz LTOAGNJORAAXMH-GLJUWKHASA-N 1 3 298.430 3.497 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c2ccccc12 ZINC000423392711 236060921 /nfs/dbraw/zinc/06/09/21/236060921.db2.gz LTOAGNJORAAXMH-GLJUWKHASA-N 1 3 298.430 3.497 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)cc1 ZINC000423373298 236054138 /nfs/dbraw/zinc/05/41/38/236054138.db2.gz JDMPZERSZUNKGI-JQFCIGGWSA-N 1 3 258.409 3.176 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C2CC2)cc1 ZINC000423373298 236054139 /nfs/dbraw/zinc/05/41/39/236054139.db2.gz JDMPZERSZUNKGI-JQFCIGGWSA-N 1 3 258.409 3.176 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423377896 236055662 /nfs/dbraw/zinc/05/56/62/236055662.db2.gz KQMSRLXYFHSWCF-JHJVBQTASA-N 1 3 282.378 3.016 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423377896 236055665 /nfs/dbraw/zinc/05/56/65/236055665.db2.gz KQMSRLXYFHSWCF-JHJVBQTASA-N 1 3 282.378 3.016 20 0 CGADHO Cc1cc([C@@H](C)NCCC[C@H]2CCC[NH2+]2)oc1C ZINC000423479626 236081662 /nfs/dbraw/zinc/08/16/62/236081662.db2.gz MHFNICYKIYUUKY-OCCSQVGLSA-N 1 3 250.386 3.079 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000423497535 236087368 /nfs/dbraw/zinc/08/73/68/236087368.db2.gz ACGYOLBPNTWHRY-GVDBMIGSSA-N 1 3 270.420 3.054 20 0 CGADHO NC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)C2CC3CC(C2)CC1C3 ZINC000423521661 236092847 /nfs/dbraw/zinc/09/28/47/236092847.db2.gz GKEFITRZJLKUON-ODXQQMLLSA-N 1 3 288.479 3.308 20 0 CGADHO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530050 236092967 /nfs/dbraw/zinc/09/29/67/236092967.db2.gz PCFPVOPOLCFAMK-KSSFIOAISA-N 1 3 298.434 3.040 20 0 CGADHO Cc1cc(F)c(CNCC2(C)CC[NH+](C)CC2)c(F)c1 ZINC000424169373 236128052 /nfs/dbraw/zinc/12/80/52/236128052.db2.gz JKFPVIILJJHXHA-UHFFFAOYSA-N 1 3 282.378 3.095 20 0 CGADHO Cc1cc(F)c(CNCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000424198235 236132667 /nfs/dbraw/zinc/13/26/67/236132667.db2.gz XLOSVOHXOFPIJT-UHFFFAOYSA-N 1 3 294.389 3.237 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000424366785 236156951 /nfs/dbraw/zinc/15/69/51/236156951.db2.gz JQCUNAMAHBJHNU-IIHMKKKESA-N 1 3 258.409 3.038 20 0 CGADHO C[C@H]1CC2(CN1Cc1cccc(Cl)c1F)CC[NH2+]CC2 ZINC000424289137 236142873 /nfs/dbraw/zinc/14/28/73/236142873.db2.gz LSBFLYCVIVMFIH-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc3ccoc32)CC[N@H+]1C ZINC000336221992 213048512 /nfs/dbraw/zinc/04/85/12/213048512.db2.gz CUKPKBNVWFYAHM-SWLSCSKDSA-N 1 3 258.365 3.005 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc3ccoc32)CC[N@@H+]1C ZINC000336221992 213048509 /nfs/dbraw/zinc/04/85/09/213048509.db2.gz CUKPKBNVWFYAHM-SWLSCSKDSA-N 1 3 258.365 3.005 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000437052593 237239467 /nfs/dbraw/zinc/23/94/67/237239467.db2.gz WFODLAULLKRAGR-HLLBOEOZSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H]([NH2+]CCCCCF)[C@H]1CCCN(C2CCC2)C1 ZINC000341906984 216145778 /nfs/dbraw/zinc/14/57/78/216145778.db2.gz VUNXXJQSNOMTHD-CABCVRRESA-N 1 3 270.436 3.369 20 0 CGADHO CC[C@@H](COC)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177979881 189083021 /nfs/dbraw/zinc/08/30/21/189083021.db2.gz MWXWYQMIHITCBE-KRWDZBQOSA-N 1 3 278.440 3.041 20 0 CGADHO CC[C@@H](COC)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979881 189083022 /nfs/dbraw/zinc/08/30/22/189083022.db2.gz MWXWYQMIHITCBE-KRWDZBQOSA-N 1 3 278.440 3.041 20 0 CGADHO C[C@@H](N)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368702 296020308 /nfs/dbraw/zinc/02/03/08/296020308.db2.gz IELCRNLUUPERDJ-DNVCBOLYSA-N 1 3 280.415 3.176 20 0 CGADHO C[C@@H](N)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368702 296020309 /nfs/dbraw/zinc/02/03/09/296020309.db2.gz IELCRNLUUPERDJ-DNVCBOLYSA-N 1 3 280.415 3.176 20 0 CGADHO C[C@@H](N)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368698 296020477 /nfs/dbraw/zinc/02/04/77/296020477.db2.gz IELCRNLUUPERDJ-BEFAXECRSA-N 1 3 280.415 3.176 20 0 CGADHO C[C@@H](N)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368698 296020480 /nfs/dbraw/zinc/02/04/80/296020480.db2.gz IELCRNLUUPERDJ-BEFAXECRSA-N 1 3 280.415 3.176 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(Br)cc1 ZINC000342117214 216221938 /nfs/dbraw/zinc/22/19/38/216221938.db2.gz CTDVITGGDICTPQ-ZDUSSCGKSA-N 1 3 297.240 3.371 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000180986748 189285503 /nfs/dbraw/zinc/28/55/03/189285503.db2.gz QBEUOMPRZISPQH-DOTOQJQBSA-N 1 3 288.435 3.386 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000181181986 189290275 /nfs/dbraw/zinc/29/02/75/189290275.db2.gz ORDXWVOXARXCTR-BFHYXJOUSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Cl ZINC000181181986 189290276 /nfs/dbraw/zinc/29/02/76/189290276.db2.gz ORDXWVOXARXCTR-BFHYXJOUSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173906 189290452 /nfs/dbraw/zinc/29/04/52/189290452.db2.gz NYEXTTMYZKYNOU-NFAWXSAZSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173906 189290453 /nfs/dbraw/zinc/29/04/53/189290453.db2.gz NYEXTTMYZKYNOU-NFAWXSAZSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449408105 239391727 /nfs/dbraw/zinc/39/17/27/239391727.db2.gz MDAFCBHVKXFVOE-JFIYKMOQSA-N 1 3 296.499 3.028 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120558248 370780097 /nfs/dbraw/zinc/78/00/97/370780097.db2.gz COGSYQCGEFQBHU-IJEWVQPXSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000120558248 370780107 /nfs/dbraw/zinc/78/01/07/370780107.db2.gz COGSYQCGEFQBHU-IJEWVQPXSA-N 1 3 276.424 3.219 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275496448 193058662 /nfs/dbraw/zinc/05/86/62/193058662.db2.gz LRDMMPYRYSOHEW-ZWKOTPCHSA-N 1 3 270.420 3.174 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648146 193095774 /nfs/dbraw/zinc/09/57/74/193095774.db2.gz CHSPEHIIEFURMG-KYJSFNMBSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648146 193095776 /nfs/dbraw/zinc/09/57/76/193095776.db2.gz CHSPEHIIEFURMG-KYJSFNMBSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648146 193095777 /nfs/dbraw/zinc/09/57/77/193095777.db2.gz CHSPEHIIEFURMG-KYJSFNMBSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648146 193095779 /nfs/dbraw/zinc/09/57/79/193095779.db2.gz CHSPEHIIEFURMG-KYJSFNMBSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccccc1N(C)C ZINC000246194820 299377603 /nfs/dbraw/zinc/37/76/03/299377603.db2.gz LLOBBRSVQCWDKN-ARFHVFGLSA-N 1 3 289.467 3.276 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccccc1 ZINC000477919265 243060302 /nfs/dbraw/zinc/06/03/02/243060302.db2.gz XGJLZGXMOVKXGW-HNNXBMFYSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)CN1CCCC1 ZINC000481314318 243187238 /nfs/dbraw/zinc/18/72/38/243187238.db2.gz BANGCIOZMWXELB-VQIMIIECSA-N 1 3 286.463 3.329 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000486962160 243386773 /nfs/dbraw/zinc/38/67/73/243386773.db2.gz CWCSCOGGWBGJHT-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO CC[C@@H]([NH2+]CCCN(CC)CC)c1ccc(OC)cc1 ZINC000019943150 368788073 /nfs/dbraw/zinc/78/80/73/368788073.db2.gz OLMVVQFNBMKOMX-QGZVFWFLSA-N 1 3 278.440 3.468 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035012037 368989580 /nfs/dbraw/zinc/98/95/80/368989580.db2.gz BEBGFTUHKCLJNX-QFBILLFUSA-N 1 3 286.463 3.398 20 0 CGADHO CCOc1ccc([C@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000037140869 369068250 /nfs/dbraw/zinc/06/82/50/369068250.db2.gz ISHAGNKKKYFLQG-AWEZNQCLSA-N 1 3 288.435 3.363 20 0 CGADHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649282 369097850 /nfs/dbraw/zinc/09/78/50/369097850.db2.gz GGQIDZCHARMEJX-GJZGRUSLSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649282 369097855 /nfs/dbraw/zinc/09/78/55/369097855.db2.gz GGQIDZCHARMEJX-GJZGRUSLSA-N 1 3 258.409 3.130 20 0 CGADHO C[NH+](C)CCCC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494978277 244339457 /nfs/dbraw/zinc/33/94/57/244339457.db2.gz IYCYGOCMFOZMIW-GQCTYLIASA-N 1 3 287.451 3.149 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]1C ZINC000495042399 244349252 /nfs/dbraw/zinc/34/92/52/244349252.db2.gz WNABWFWFWNDBRQ-CKEIUWERSA-N 1 3 264.457 3.418 20 0 CGADHO c1sc2ccccc2c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000047892366 369330468 /nfs/dbraw/zinc/33/04/68/369330468.db2.gz IDZRGARLZYLXKG-ZDUSSCGKSA-N 1 3 286.444 3.475 20 0 CGADHO c1sc2ccccc2c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000047892366 369330474 /nfs/dbraw/zinc/33/04/74/369330474.db2.gz IDZRGARLZYLXKG-ZDUSSCGKSA-N 1 3 286.444 3.475 20 0 CGADHO c1sc2ccccc2c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000047892366 369330480 /nfs/dbraw/zinc/33/04/80/369330480.db2.gz IDZRGARLZYLXKG-ZDUSSCGKSA-N 1 3 286.444 3.475 20 0 CGADHO [NH3+]C1CCC(N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000051693747 369451976 /nfs/dbraw/zinc/45/19/76/369451976.db2.gz AHJBOGNKYAWBTG-DQPZFDDXSA-N 1 3 270.376 3.229 20 0 CGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000423465521 296145822 /nfs/dbraw/zinc/14/58/22/296145822.db2.gz WOEJHGQVKLYSEH-WDEREUQCSA-N 1 3 294.830 3.005 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3sccc32)CC1 ZINC000061328694 369598783 /nfs/dbraw/zinc/59/87/83/369598783.db2.gz JWGSXFUUTQVWDP-CQSZACIVSA-N 1 3 264.438 3.199 20 0 CGADHO Cc1ccccc1[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062077848 369618145 /nfs/dbraw/zinc/61/81/45/369618145.db2.gz GYLNOOKLPIDAJO-ZBFHGGJFSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077848 369618146 /nfs/dbraw/zinc/61/81/46/369618146.db2.gz GYLNOOKLPIDAJO-ZBFHGGJFSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCc2sccc21)CN1CCCC1 ZINC000062079032 369619223 /nfs/dbraw/zinc/61/92/23/369619223.db2.gz DOCKOUCDJIWUMK-DZGCQCFKSA-N 1 3 278.465 3.447 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)C12CCC2 ZINC000087709144 370029546 /nfs/dbraw/zinc/02/95/46/370029546.db2.gz ZFZDPYCLYWTUHW-IRXDYDNUSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000087709144 370029552 /nfs/dbraw/zinc/02/95/52/370029552.db2.gz ZFZDPYCLYWTUHW-IRXDYDNUSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000092043472 370089688 /nfs/dbraw/zinc/08/96/88/370089688.db2.gz CSCSQQFNORLHSH-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000092043472 370089690 /nfs/dbraw/zinc/08/96/90/370089690.db2.gz CSCSQQFNORLHSH-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043472 370089691 /nfs/dbraw/zinc/08/96/91/370089691.db2.gz CSCSQQFNORLHSH-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043472 370089692 /nfs/dbraw/zinc/08/96/92/370089692.db2.gz CSCSQQFNORLHSH-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO c1coc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000093769273 370158019 /nfs/dbraw/zinc/15/80/19/370158019.db2.gz LUBUCTOBPPHMMK-UHFFFAOYSA-N 1 3 276.424 3.368 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1N(C)C ZINC000093946616 370165491 /nfs/dbraw/zinc/16/54/91/370165491.db2.gz LLOBBRSVQCWDKN-OAGGEKHMSA-N 1 3 289.467 3.276 20 0 CGADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000104137752 370338787 /nfs/dbraw/zinc/33/87/87/370338787.db2.gz CYFFOXUKCMYFFU-RYUDHWBXSA-N 1 3 266.816 3.460 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512004148 245014994 /nfs/dbraw/zinc/01/49/94/245014994.db2.gz ADVYMOYGWXQEOR-SSBHQGKESA-N 1 3 294.389 3.440 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]CCCN1CCCC1 ZINC000116382483 370559254 /nfs/dbraw/zinc/55/92/54/370559254.db2.gz MZPWHUJVLNRSQR-QGZVFWFLSA-N 1 3 260.425 3.083 20 0 CGADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000130883572 371066727 /nfs/dbraw/zinc/06/67/27/371066727.db2.gz UMVMHLVYUYCSQZ-LSDHHAIUSA-N 1 3 268.404 3.490 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)c1cccc2ccccc21 ZINC000130883572 371066732 /nfs/dbraw/zinc/06/67/32/371066732.db2.gz UMVMHLVYUYCSQZ-LSDHHAIUSA-N 1 3 268.404 3.490 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000131982928 371144252 /nfs/dbraw/zinc/14/42/52/371144252.db2.gz GVFLPGDJCCQPKW-UHFFFAOYSA-N 1 3 282.378 3.446 20 0 CGADHO COc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000132215222 371159787 /nfs/dbraw/zinc/15/97/87/371159787.db2.gz MWLDMZYSKCCDMF-ZIAGYGMSSA-N 1 3 284.403 3.018 20 0 CGADHO CSCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000132440020 371175162 /nfs/dbraw/zinc/17/51/62/371175162.db2.gz ODLZULIPZKKBIX-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CC(C)[C@H](CN[C@@H](C)Cc1ccccc1F)[NH+]1CCCC1 ZINC000134137204 371306064 /nfs/dbraw/zinc/30/60/64/371306064.db2.gz VIYPOVHUTYFECD-YJBOKZPZSA-N 1 3 292.442 3.467 20 0 CGADHO CCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000151037484 371560387 /nfs/dbraw/zinc/56/03/87/371560387.db2.gz UVYWNXDKVVMRJQ-AWEZNQCLSA-N 1 3 264.413 3.078 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000151098528 371567743 /nfs/dbraw/zinc/56/77/43/371567743.db2.gz KMBGBODYDGQGOU-HKUYNNGSSA-N 1 3 286.463 3.329 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821853 371642444 /nfs/dbraw/zinc/64/24/44/371642444.db2.gz ULROTYRKTMLGKJ-QWHCGFSZSA-N 1 3 298.833 3.342 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1=CCN(C)CC1 ZINC000421830685 371653457 /nfs/dbraw/zinc/65/34/57/371653457.db2.gz CLYQGUYXGGROFG-LBPRGKRZSA-N 1 3 296.817 3.262 20 0 CGADHO CC[C@@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000421878077 371693663 /nfs/dbraw/zinc/69/36/63/371693663.db2.gz MWZDQKSFPKQPJV-OAHLLOKOSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@@H]1C[C@@H](C)N(CCCCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000422631181 371755171 /nfs/dbraw/zinc/75/51/71/371755171.db2.gz FEPPRSMOPVNKBG-UTUOFQBUSA-N 1 3 266.351 3.024 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422693557 371757377 /nfs/dbraw/zinc/75/73/77/371757377.db2.gz MGIRRTVKEBOAOZ-MAUKXSAKSA-N 1 3 290.451 3.220 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000422706188 371761520 /nfs/dbraw/zinc/76/15/20/371761520.db2.gz SXRJIEFIENPNNU-OBJOEFQTSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000422709639 371763520 /nfs/dbraw/zinc/76/35/20/371763520.db2.gz KYHDMIZQNICKAV-AAEUAGOBSA-N 1 3 274.330 3.397 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422720183 371768646 /nfs/dbraw/zinc/76/86/46/371768646.db2.gz ZXMLXDSJDRPHEQ-FUHWJXTLSA-N 1 3 296.499 3.484 20 0 CGADHO C[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)C1CNC1 ZINC000422725708 371770099 /nfs/dbraw/zinc/77/00/99/371770099.db2.gz CBGFZZCBKNKVRN-INIZCTEOSA-N 1 3 294.442 3.406 20 0 CGADHO C[C@H](NCCC(c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422725708 371770108 /nfs/dbraw/zinc/77/01/08/371770108.db2.gz CBGFZZCBKNKVRN-INIZCTEOSA-N 1 3 294.442 3.406 20 0 CGADHO C[C@H]1CCCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729650 371770434 /nfs/dbraw/zinc/77/04/34/371770434.db2.gz LBGLXRFLHBQUIF-WDFJATGCSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000422731192 371773185 /nfs/dbraw/zinc/77/31/85/371773185.db2.gz NCAQFPJTFNLBJA-CXUUEIJPSA-N 1 3 275.440 3.324 20 0 CGADHO COc1cc(F)c([C@@H](C)N[C@H](C)CCCC[NH3+])cc1OC ZINC000422736005 371774626 /nfs/dbraw/zinc/77/46/26/371774626.db2.gz VLPIPFKTNWBRAR-VXGBXAGGSA-N 1 3 298.402 3.011 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000422737317 371775307 /nfs/dbraw/zinc/77/53/07/371775307.db2.gz XHLKESYNHCFNLW-GARJFASQSA-N 1 3 274.330 3.482 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(Cl)cc1 ZINC000422736882 371775807 /nfs/dbraw/zinc/77/58/07/371775807.db2.gz YPYRJIUBZMVXPL-LSDHHAIUSA-N 1 3 266.816 3.132 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748853 371781962 /nfs/dbraw/zinc/78/19/62/371781962.db2.gz WNOKJDWNIUBNTK-KGLIPLIRSA-N 1 3 252.789 3.090 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCCCC1 ZINC000422746819 371782223 /nfs/dbraw/zinc/78/22/23/371782223.db2.gz OJTKCVMGKRERTR-GFCCVEGCSA-N 1 3 261.413 3.080 20 0 CGADHO C[C@@H]1CCC[C@@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422746652 371783082 /nfs/dbraw/zinc/78/30/82/371783082.db2.gz OAEWZWSSOQQVHV-AFLMIKJESA-N 1 3 250.430 3.075 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000422751480 371784614 /nfs/dbraw/zinc/78/46/14/371784614.db2.gz CUCBTMBYUMXGMJ-KBPBESRZSA-N 1 3 283.419 3.303 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325676 214008484 /nfs/dbraw/zinc/00/84/84/214008484.db2.gz CBVRCNDHVGEDID-WMZOPIPTSA-N 1 3 289.467 3.428 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCc2c1cccc2F ZINC000422760653 371788845 /nfs/dbraw/zinc/78/88/45/371788845.db2.gz LBIJRNFFNXFUJI-KPZWWZAWSA-N 1 3 299.393 3.326 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)COC(C)C)c1 ZINC000337343215 214018863 /nfs/dbraw/zinc/01/88/63/214018863.db2.gz SCDPVMPUAWHGHE-INIZCTEOSA-N 1 3 292.467 3.432 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@@H]1CCCCN1 ZINC000422827972 371831297 /nfs/dbraw/zinc/83/12/97/371831297.db2.gz AHFYZOZGYMNODQ-XOKHGSTOSA-N 1 3 290.476 3.137 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000422835768 371832700 /nfs/dbraw/zinc/83/27/00/371832700.db2.gz JAVZVOMYXRSPNU-WBVHZDCISA-N 1 3 274.452 3.244 20 0 CGADHO Fc1ccc([C@H]([NH2+]C2CCNCC2)C2CCCC2)cc1 ZINC000422785938 371805411 /nfs/dbraw/zinc/80/54/11/371805411.db2.gz PTMDQWZHFMSMJW-QGZVFWFLSA-N 1 3 276.399 3.399 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Sc1ccccc1 ZINC000422788870 371807859 /nfs/dbraw/zinc/80/78/59/371807859.db2.gz NTJGKHYEWXXBCM-IIAWOOMASA-N 1 3 278.465 3.145 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC000422787288 371808514 /nfs/dbraw/zinc/80/85/14/371808514.db2.gz UNFTXRDWMDQSOE-CXAGYDPISA-N 1 3 260.425 3.090 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1ccc(Cl)cc1 ZINC000422797458 371816866 /nfs/dbraw/zinc/81/68/66/371816866.db2.gz MPHNVXYOGWEOGZ-IOASZLSFSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422797458 371816869 /nfs/dbraw/zinc/81/68/69/371816869.db2.gz MPHNVXYOGWEOGZ-IOASZLSFSA-N 1 3 296.842 3.214 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000422805378 371821336 /nfs/dbraw/zinc/82/13/36/371821336.db2.gz GODBJDFDAZZTKC-PKOBYXMFSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422805378 371821340 /nfs/dbraw/zinc/82/13/40/371821340.db2.gz GODBJDFDAZZTKC-PKOBYXMFSA-N 1 3 298.430 3.326 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422914905 371864990 /nfs/dbraw/zinc/86/49/90/371864990.db2.gz WKVABSLRJZCLKP-YXMPFFBPSA-N 1 3 284.831 3.131 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422917096 371867342 /nfs/dbraw/zinc/86/73/42/371867342.db2.gz FNGOMSKQUGJUIZ-GDBMZVCRSA-N 1 3 272.392 3.082 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1cc2ccccc2o1 ZINC000422917096 371867348 /nfs/dbraw/zinc/86/73/48/371867348.db2.gz FNGOMSKQUGJUIZ-GDBMZVCRSA-N 1 3 272.392 3.082 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422916245 371868215 /nfs/dbraw/zinc/86/82/15/371868215.db2.gz CZWLHRJBHDVODE-MVJPYGJCSA-N 1 3 294.442 3.166 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1ccccc1Cl ZINC000422918729 371869104 /nfs/dbraw/zinc/86/91/04/371869104.db2.gz IMPWEENZYQZDAG-VNHYZAJKSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1Cl ZINC000422918729 371869111 /nfs/dbraw/zinc/86/91/11/371869111.db2.gz IMPWEENZYQZDAG-VNHYZAJKSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(C)c1 ZINC000422924145 371873737 /nfs/dbraw/zinc/87/37/37/371873737.db2.gz XVLDWHKFDPXBIQ-JZXOWHBKSA-N 1 3 290.451 3.130 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000422923858 371873796 /nfs/dbraw/zinc/87/37/96/371873796.db2.gz STTNMITXTBBIHH-VHSSKADRSA-N 1 3 287.451 3.468 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000422930590 371877632 /nfs/dbraw/zinc/87/76/32/371877632.db2.gz VDRJTKRYAUEIBC-QLFBSQMISA-N 1 3 276.449 3.473 20 0 CGADHO C[C@H](NCCc1cccc(Cl)c1Cl)[C@@H]1CC[NH2+]C1 ZINC000422936691 371880123 /nfs/dbraw/zinc/88/01/23/371880123.db2.gz FQWUDDGKPCTLFQ-CMPLNLGQSA-N 1 3 287.234 3.124 20 0 CGADHO CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])Oc1ccccc1Cl ZINC000422842750 371836283 /nfs/dbraw/zinc/83/62/83/371836283.db2.gz ZHQOUCOILYKUNN-FRRDWIJNSA-N 1 3 284.831 3.213 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423048788 371934500 /nfs/dbraw/zinc/93/45/00/371934500.db2.gz ABJXXGOMZJAZNM-LOWVWBTDSA-N 1 3 274.330 3.048 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423051327 371935943 /nfs/dbraw/zinc/93/59/43/371935943.db2.gz NPHBDZYBAWLUJK-XWTMOSNGSA-N 1 3 288.435 3.014 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCCCC1 ZINC000423060411 371939499 /nfs/dbraw/zinc/93/94/99/371939499.db2.gz ICRSAZNNJCAHRT-HZPDHXFCSA-N 1 3 282.472 3.081 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1cccc(Cl)c1Cl ZINC000422951383 371888615 /nfs/dbraw/zinc/88/86/15/371888615.db2.gz YJYQZMKUVZLRRE-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951383 371888625 /nfs/dbraw/zinc/88/86/25/371888625.db2.gz YJYQZMKUVZLRRE-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO CO[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000154903291 371889118 /nfs/dbraw/zinc/88/91/18/371889118.db2.gz ZCSUQKCEPHTEIZ-QGZVFWFLSA-N 1 3 296.499 3.434 20 0 CGADHO CO[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000154903291 371889126 /nfs/dbraw/zinc/88/91/26/371889126.db2.gz ZCSUQKCEPHTEIZ-QGZVFWFLSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422960426 371893278 /nfs/dbraw/zinc/89/32/78/371893278.db2.gz WHHIMGIUFHVZKG-WBVHZDCISA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C1CNC1 ZINC000422994996 371906532 /nfs/dbraw/zinc/90/65/32/371906532.db2.gz WTBGCCVBYVORTA-RWBZWWBESA-N 1 3 272.436 3.084 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000422991376 371906649 /nfs/dbraw/zinc/90/66/49/371906649.db2.gz POEKRWDOBPFTOD-NBMRYCAZSA-N 1 3 288.435 3.052 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000423002735 371910601 /nfs/dbraw/zinc/91/06/01/371910601.db2.gz ZKKIIEVUJBSMEG-YJBOKZPZSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(CCO)CCCCC1 ZINC000423008214 371912269 /nfs/dbraw/zinc/91/22/69/371912269.db2.gz STCPBHOIHSBYFR-IRXDYDNUSA-N 1 3 296.499 3.220 20 0 CGADHO C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCc2ccccc21 ZINC000423013800 371914955 /nfs/dbraw/zinc/91/49/55/371914955.db2.gz GUPWZHOCZJLJKC-SUTQANCOSA-N 1 3 284.447 3.153 20 0 CGADHO CSCc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000423064746 371943788 /nfs/dbraw/zinc/94/37/88/371943788.db2.gz ZQYSGUHZXOKVES-HOTGVXAUSA-N 1 3 278.465 3.299 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423033750 371926786 /nfs/dbraw/zinc/92/67/86/371926786.db2.gz ZWOQYSPMIGSNLI-XJKSGUPXSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423033750 371926789 /nfs/dbraw/zinc/92/67/89/371926789.db2.gz ZWOQYSPMIGSNLI-XJKSGUPXSA-N 1 3 292.854 3.349 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCC[C@@H]2CCCCO2)c2ccccc21 ZINC000423037100 371928163 /nfs/dbraw/zinc/92/81/63/371928163.db2.gz MIQVXUWGXGSXGG-XKQJLSEDSA-N 1 3 274.408 3.070 20 0 CGADHO COC1CCC(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423040512 371928382 /nfs/dbraw/zinc/92/83/82/371928382.db2.gz UJNZZCZBDIZSOH-JOCCRWCTSA-N 1 3 288.435 3.316 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423041165 371929350 /nfs/dbraw/zinc/92/93/50/371929350.db2.gz WGZPLLSFPXTPOJ-ASHKBJFXSA-N 1 3 284.831 3.131 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000423045992 371931222 /nfs/dbraw/zinc/93/12/22/371931222.db2.gz DRMBFKKPWJMSJO-SMDDNHRTSA-N 1 3 268.351 3.102 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423099751 371962496 /nfs/dbraw/zinc/96/24/96/371962496.db2.gz UGNCYCJBCJAQGF-SCTFDZSOSA-N 1 3 294.389 3.318 20 0 CGADHO CCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000423100350 371964080 /nfs/dbraw/zinc/96/40/80/371964080.db2.gz GTGHTZVTEFHANN-HIFRSBDPSA-N 1 3 296.842 3.346 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000423115106 371974137 /nfs/dbraw/zinc/97/41/37/371974137.db2.gz MSRWZFAPAOUXQH-LLVKDONJSA-N 1 3 297.393 3.325 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423126870 371979267 /nfs/dbraw/zinc/97/92/67/371979267.db2.gz JEYCMDDPTPQZLR-RCCFBDPRSA-N 1 3 272.436 3.287 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC1(C)C ZINC000423127576 371980393 /nfs/dbraw/zinc/98/03/93/371980393.db2.gz CCUWWRPUPCAQTO-JSGCOSHPSA-N 1 3 275.440 3.326 20 0 CGADHO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000423134338 371985360 /nfs/dbraw/zinc/98/53/60/371985360.db2.gz LZDHRYPUQXXSLR-SUMWQHHRSA-N 1 3 294.870 3.495 20 0 CGADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCC1 ZINC000423140683 371989226 /nfs/dbraw/zinc/98/92/26/371989226.db2.gz ZDEFJNTVMCTNAE-IXDOHACOSA-N 1 3 294.483 3.094 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CSc2ccccc21 ZINC000423144294 371989479 /nfs/dbraw/zinc/98/94/79/371989479.db2.gz GQRCIRUOKRCOBG-CFVMTHIKSA-N 1 3 276.449 3.126 20 0 CGADHO Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000423148222 371993063 /nfs/dbraw/zinc/99/30/63/371993063.db2.gz FJRYQHISUGVFHW-ZWKOTPCHSA-N 1 3 284.378 3.411 20 0 CGADHO COc1ccc([C@H](N[C@@H](C)CCC[NH3+])c2ccco2)cc1 ZINC000423170084 371999747 /nfs/dbraw/zinc/99/97/47/371999747.db2.gz XJIHWRPGHJQQOT-GUYCJALGSA-N 1 3 288.391 3.095 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423069646 371946378 /nfs/dbraw/zinc/94/63/78/371946378.db2.gz FBPUZPZPIMERRZ-DIECFANBSA-N 1 3 260.425 3.428 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000423081167 371951638 /nfs/dbraw/zinc/95/16/38/371951638.db2.gz UJKWGSYWEWNZTK-DLBZAZTESA-N 1 3 258.409 3.314 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083970 371954390 /nfs/dbraw/zinc/95/43/90/371954390.db2.gz GRRLERKAUSUEKO-LMRQPLJMSA-N 1 3 264.388 3.177 20 0 CGADHO CNCCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423198995 372023534 /nfs/dbraw/zinc/02/35/34/372023534.db2.gz JAHJEEJUAVBTGX-HIFRSBDPSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423198995 372023540 /nfs/dbraw/zinc/02/35/40/372023540.db2.gz JAHJEEJUAVBTGX-HIFRSBDPSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423208235 372030528 /nfs/dbraw/zinc/03/05/28/372030528.db2.gz HNHDRJHWBZDEJV-NVXWUHKLSA-N 1 3 292.492 3.393 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423208235 372030536 /nfs/dbraw/zinc/03/05/36/372030536.db2.gz HNHDRJHWBZDEJV-NVXWUHKLSA-N 1 3 292.492 3.393 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423207943 372030767 /nfs/dbraw/zinc/03/07/67/372030767.db2.gz HKGDZIRMPKVZHH-RDBSUJKOSA-N 1 3 280.843 3.421 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000344158604 217079972 /nfs/dbraw/zinc/07/99/72/217079972.db2.gz CDZLSCPXORRMEM-DLBZAZTESA-N 1 3 296.499 3.433 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC[C@H](C)N ZINC000423222583 372040437 /nfs/dbraw/zinc/04/04/37/372040437.db2.gz BSTJBQJGSACECI-SRVKXCTJSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NCC[C@H](C)[NH3+] ZINC000423222583 372040440 /nfs/dbraw/zinc/04/04/40/372040440.db2.gz BSTJBQJGSACECI-SRVKXCTJSA-N 1 3 254.805 3.159 20 0 CGADHO Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000158265743 372061816 /nfs/dbraw/zinc/06/18/16/372061816.db2.gz LRNPVKLQOUKFDH-GJZGRUSLSA-N 1 3 278.415 3.435 20 0 CGADHO Cc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158265743 372061825 /nfs/dbraw/zinc/06/18/25/372061825.db2.gz LRNPVKLQOUKFDH-GJZGRUSLSA-N 1 3 278.415 3.435 20 0 CGADHO Cc1cc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000158265896 372062169 /nfs/dbraw/zinc/06/21/69/372062169.db2.gz LRNPVKLQOUKFDH-HUUCEWRRSA-N 1 3 278.415 3.435 20 0 CGADHO Cc1cc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158265896 372062175 /nfs/dbraw/zinc/06/21/75/372062175.db2.gz LRNPVKLQOUKFDH-HUUCEWRRSA-N 1 3 278.415 3.435 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391081 372058668 /nfs/dbraw/zinc/05/86/68/372058668.db2.gz PFSSDMSVJFVMGN-IIYDPXPESA-N 1 3 258.409 3.204 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185746 372058842 /nfs/dbraw/zinc/05/88/42/372058842.db2.gz RWZHTOPEBZIWFH-STQMWFEESA-N 1 3 278.465 3.229 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185746 372058847 /nfs/dbraw/zinc/05/88/47/372058847.db2.gz RWZHTOPEBZIWFH-STQMWFEESA-N 1 3 278.465 3.229 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000423174131 372003782 /nfs/dbraw/zinc/00/37/82/372003782.db2.gz BJHYARGLQQYLNK-KBXIAJHMSA-N 1 3 252.446 3.179 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)NCC2([NH3+])CCCCC2)cc1 ZINC000423178488 372006491 /nfs/dbraw/zinc/00/64/91/372006491.db2.gz KPUSDOREFXCNPJ-GJZGRUSLSA-N 1 3 290.451 3.438 20 0 CGADHO C[C@@H](NCCC[NH3+])c1cccc(-c2ccccc2)c1 ZINC000423177623 372006987 /nfs/dbraw/zinc/00/69/87/372006987.db2.gz JDWUTGAXQFGNSW-CQSZACIVSA-N 1 3 254.377 3.353 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2N[C@H]2CCC[NH2+]C2)cc1 ZINC000423181116 372009242 /nfs/dbraw/zinc/00/92/42/372009242.db2.gz FNNIAGFMGJRZDI-YESZJQIVSA-N 1 3 258.409 3.054 20 0 CGADHO [NH3+]CCCN[C@@H]1CCCCc2cc(Br)ccc21 ZINC000423180481 372009591 /nfs/dbraw/zinc/00/95/91/372009591.db2.gz DZCBNHVJVQMJDN-CQSZACIVSA-N 1 3 297.240 3.155 20 0 CGADHO CC[C@H](NC1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000159271243 372125306 /nfs/dbraw/zinc/12/53/06/372125306.db2.gz ODMASQLOTXMGMX-KRWDZBQOSA-N 1 3 276.424 3.220 20 0 CGADHO C[N@H+]1CC=C(CNCc2ccc(C(F)(F)F)s2)CC1 ZINC000428870444 372275804 /nfs/dbraw/zinc/27/58/04/372275804.db2.gz YBLUGWBTCSDONL-UHFFFAOYSA-N 1 3 290.354 3.118 20 0 CGADHO C[N@@H+]1CC=C(CNCc2ccc(C(F)(F)F)s2)CC1 ZINC000428870444 372275810 /nfs/dbraw/zinc/27/58/10/372275810.db2.gz YBLUGWBTCSDONL-UHFFFAOYSA-N 1 3 290.354 3.118 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293409388 372376542 /nfs/dbraw/zinc/37/65/42/372376542.db2.gz YVHLAXYQTFTPIY-UHFFFAOYSA-N 1 3 270.420 3.306 20 0 CGADHO C[C@@H]1CN(CCCc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430958533 372410451 /nfs/dbraw/zinc/41/04/51/372410451.db2.gz YFTONIIGPXKYDL-DNVCBOLYSA-N 1 3 282.431 3.442 20 0 CGADHO CC(C)(C)c1cccc(OCCCN2CC[C@@H](C[NH3+])C2)c1 ZINC000430965579 372412234 /nfs/dbraw/zinc/41/22/34/372412234.db2.gz KFOYZZYTRAVZJZ-HNNXBMFYSA-N 1 3 290.451 3.034 20 0 CGADHO CC[C@H](C)[C@@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000163785630 372491417 /nfs/dbraw/zinc/49/14/17/372491417.db2.gz AVFQOIKLTPNNAZ-YJBOKZPZSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@H](C)[C@@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000163785630 372491419 /nfs/dbraw/zinc/49/14/19/372491419.db2.gz AVFQOIKLTPNNAZ-YJBOKZPZSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000163785519 372491685 /nfs/dbraw/zinc/49/16/85/372491685.db2.gz AVFQOIKLTPNNAZ-QAPCUYQASA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H](C)[C@@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000163785519 372491695 /nfs/dbraw/zinc/49/16/95/372491695.db2.gz AVFQOIKLTPNNAZ-QAPCUYQASA-N 1 3 296.499 3.170 20 0 CGADHO CCCC[C@H](COC)NC1CC[NH+](CCCC)CC1 ZINC000164481723 372519694 /nfs/dbraw/zinc/51/96/94/372519694.db2.gz SHNFBEPPJJAWOG-MRXNPFEDSA-N 1 3 270.461 3.046 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000166558034 372576196 /nfs/dbraw/zinc/57/61/96/372576196.db2.gz TYYFBNJVELJPPZ-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166558034 372576208 /nfs/dbraw/zinc/57/62/08/372576208.db2.gz TYYFBNJVELJPPZ-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000166537824 372576450 /nfs/dbraw/zinc/57/64/50/372576450.db2.gz AHYQRAFCPRPCOH-MRXNPFEDSA-N 1 3 264.388 3.351 20 0 CGADHO Cc1ccc([C@]2(C)CCN(CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000434747967 372706104 /nfs/dbraw/zinc/70/61/04/372706104.db2.gz NUINQESVNFBSSQ-RBUKOAKNSA-N 1 3 286.463 3.443 20 0 CGADHO Cc1ccc([C@]2(C)CCN(CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747967 372706119 /nfs/dbraw/zinc/70/61/19/372706119.db2.gz NUINQESVNFBSSQ-RBUKOAKNSA-N 1 3 286.463 3.443 20 0 CGADHO CCN(Cc1ccc(OC(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435387019 372755320 /nfs/dbraw/zinc/75/53/20/372755320.db2.gz WHFAXJMTRALCIN-QGZVFWFLSA-N 1 3 290.451 3.438 20 0 CGADHO CCSc1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000435381578 372756549 /nfs/dbraw/zinc/75/65/49/372756549.db2.gz WYYLCBGMZGEHLR-CYBMUJFWSA-N 1 3 278.465 3.358 20 0 CGADHO CCN(Cc1cccc(OC(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435394855 372759331 /nfs/dbraw/zinc/75/93/31/372759331.db2.gz PGACKQHDSZPSMH-AWEZNQCLSA-N 1 3 298.377 3.252 20 0 CGADHO C[C@@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114197 372887645 /nfs/dbraw/zinc/88/76/45/372887645.db2.gz DJJBLBFDAKANBC-HOTGVXAUSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114197 372887652 /nfs/dbraw/zinc/88/76/52/372887652.db2.gz DJJBLBFDAKANBC-HOTGVXAUSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114197 372887659 /nfs/dbraw/zinc/88/76/59/372887659.db2.gz DJJBLBFDAKANBC-HOTGVXAUSA-N 1 3 290.426 3.347 20 0 CGADHO C[NH+](C)C1CCC(NCc2csc(C(C)(C)C)n2)CC1 ZINC000353502032 220121720 /nfs/dbraw/zinc/12/17/20/220121720.db2.gz KBQQNRAJGIDRFJ-UHFFFAOYSA-N 1 3 295.496 3.403 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296052817 373006373 /nfs/dbraw/zinc/00/63/73/373006373.db2.gz VHSZCNXBUFSJJV-ZEIKAYMKSA-N 1 3 270.420 3.135 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052817 373006376 /nfs/dbraw/zinc/00/63/76/373006376.db2.gz VHSZCNXBUFSJJV-ZEIKAYMKSA-N 1 3 270.420 3.135 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172843058 373046575 /nfs/dbraw/zinc/04/65/75/373046575.db2.gz QYONCABRSFKXIL-PBHICJAKSA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172843058 373046579 /nfs/dbraw/zinc/04/65/79/373046579.db2.gz QYONCABRSFKXIL-PBHICJAKSA-N 1 3 260.425 3.164 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCc1ccc2ccccc2c1 ZINC000442759980 373073333 /nfs/dbraw/zinc/07/33/33/373073333.db2.gz MMTBBPCMXAAPBK-GOEBONIOSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759980 373073339 /nfs/dbraw/zinc/07/33/39/373073339.db2.gz MMTBBPCMXAAPBK-GOEBONIOSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1ccc2ccccc2c1 ZINC000442759980 373073341 /nfs/dbraw/zinc/07/33/41/373073341.db2.gz MMTBBPCMXAAPBK-GOEBONIOSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](CC[NH3+])C1 ZINC000443055742 373146611 /nfs/dbraw/zinc/14/66/11/373146611.db2.gz BOIQFCHYQVRTGB-HUUCEWRRSA-N 1 3 299.418 3.463 20 0 CGADHO Cc1cc(C)cc(C[N@@H+](C)CC[C@@H]2CCCN2C)c1 ZINC000444693873 373239519 /nfs/dbraw/zinc/23/95/19/373239519.db2.gz ATAMOUDNKSTFNA-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@H+](C)CC[C@@H]2CCCN2C)c1 ZINC000444693873 373239521 /nfs/dbraw/zinc/23/95/21/373239521.db2.gz ATAMOUDNKSTFNA-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Clc1sccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446887828 373376666 /nfs/dbraw/zinc/37/66/66/373376666.db2.gz YZDZZTHXNVWWMS-UHFFFAOYSA-N 1 3 284.856 3.366 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000174629058 373346440 /nfs/dbraw/zinc/34/64/40/373346440.db2.gz KVRXRZIQGZRNLH-IUODEOHRSA-N 1 3 296.842 3.169 20 0 CGADHO Cc1cc(N(C)CC2CC[NH+](C)CC2)c2ccccc2n1 ZINC000301194621 373689009 /nfs/dbraw/zinc/68/90/09/373689009.db2.gz MYBGAYAPFVRBNZ-UHFFFAOYSA-N 1 3 283.419 3.321 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449487665 373778055 /nfs/dbraw/zinc/77/80/55/373778055.db2.gz YLMADAWVQAUOMT-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc([C@H](CNc2cc[nH+]c(C)c2)N(C)C)cc1 ZINC000302581644 373900541 /nfs/dbraw/zinc/90/05/41/373900541.db2.gz SQXCNDJPEKFMCX-KRWDZBQOSA-N 1 3 269.392 3.413 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000179366776 373863354 /nfs/dbraw/zinc/86/33/54/373863354.db2.gz XWQIAHPNXNJWAZ-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CCSCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000302424905 373865923 /nfs/dbraw/zinc/86/59/23/373865923.db2.gz RJQKYBOHUVGKFH-RRFJBIMHSA-N 1 3 270.486 3.030 20 0 CGADHO C[C@H]1C[C@@H](NCCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000181089171 374079143 /nfs/dbraw/zinc/07/91/43/374079143.db2.gz RSKVMLMAVMNSOB-ZFWWWQNUSA-N 1 3 272.392 3.048 20 0 CGADHO C[C@H]1C[C@@H](NCCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089171 374079153 /nfs/dbraw/zinc/07/91/53/374079153.db2.gz RSKVMLMAVMNSOB-ZFWWWQNUSA-N 1 3 272.392 3.048 20 0 CGADHO CCC[C@@H](CCO)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305174082 374081460 /nfs/dbraw/zinc/08/14/60/374081460.db2.gz UXWHMGWIBCRQRY-INIZCTEOSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000182042302 374209392 /nfs/dbraw/zinc/20/93/92/374209392.db2.gz DFRLLCYMQKUSOY-IEBWSBKVSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000182042302 374209397 /nfs/dbraw/zinc/20/93/97/374209397.db2.gz DFRLLCYMQKUSOY-IEBWSBKVSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@H](Cc1ccccc1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182042302 374209404 /nfs/dbraw/zinc/20/94/04/374209404.db2.gz DFRLLCYMQKUSOY-IEBWSBKVSA-N 1 3 286.463 3.283 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000311789553 374258185 /nfs/dbraw/zinc/25/81/85/374258185.db2.gz KBDMYVWMTUBSEW-UAGQMJEPSA-N 1 3 260.425 3.361 20 0 CGADHO CC(C)C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000311789553 374258193 /nfs/dbraw/zinc/25/81/93/374258193.db2.gz KBDMYVWMTUBSEW-UAGQMJEPSA-N 1 3 260.425 3.361 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)CN(C)C ZINC000311561986 374248188 /nfs/dbraw/zinc/24/81/88/374248188.db2.gz SEMIOTGOVAZURN-RYUDHWBXSA-N 1 3 277.437 3.145 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000079342830 541921222 /nfs/dbraw/zinc/92/12/22/541921222.db2.gz ODTPGDWUQNWNBB-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000079342830 541921225 /nfs/dbraw/zinc/92/12/25/541921225.db2.gz ODTPGDWUQNWNBB-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000185468346 374667546 /nfs/dbraw/zinc/66/75/46/374667546.db2.gz UFMQBNWWRMFPHU-AWEZNQCLSA-N 1 3 294.414 3.133 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000185468346 374667552 /nfs/dbraw/zinc/66/75/52/374667552.db2.gz UFMQBNWWRMFPHU-AWEZNQCLSA-N 1 3 294.414 3.133 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1Cc2ccccc21 ZINC000093515608 541982946 /nfs/dbraw/zinc/98/29/46/541982946.db2.gz VDDVOGCAOAQEIX-PVAVHDDUSA-N 1 3 272.436 3.227 20 0 CGADHO CCCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185667256 374709754 /nfs/dbraw/zinc/70/97/54/374709754.db2.gz WJJCENQAWDKNKS-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCSCC1 ZINC000186945805 374943760 /nfs/dbraw/zinc/94/37/60/374943760.db2.gz OKNBJBMLYBMKMK-CQSZACIVSA-N 1 3 292.492 3.370 20 0 CGADHO C[C@H]1CCCC[C@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000475125613 375130025 /nfs/dbraw/zinc/13/00/25/375130025.db2.gz UMXKYOFVMWGRPW-HOTGVXAUSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCC[C@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000475125613 375130031 /nfs/dbraw/zinc/13/00/31/375130031.db2.gz UMXKYOFVMWGRPW-HOTGVXAUSA-N 1 3 264.457 3.373 20 0 CGADHO CC[NH+](CC)CC1CCN([C@H](C)c2ccccn2)CC1 ZINC000488392815 375308078 /nfs/dbraw/zinc/30/80/78/375308078.db2.gz FEEJAVNISLBKFB-OAHLLOKOSA-N 1 3 275.440 3.196 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)CS1 ZINC000488449059 375309669 /nfs/dbraw/zinc/30/96/69/375309669.db2.gz OOWVVEDEIJEGLR-HOTGVXAUSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)CS1 ZINC000488449059 375309676 /nfs/dbraw/zinc/30/96/76/375309676.db2.gz OOWVVEDEIJEGLR-HOTGVXAUSA-N 1 3 284.513 3.228 20 0 CGADHO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000121045860 542015367 /nfs/dbraw/zinc/01/53/67/542015367.db2.gz PJDCYEWGTFYZDH-DIFFPNOSSA-N 1 3 292.373 3.026 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000191465273 375631982 /nfs/dbraw/zinc/63/19/82/375631982.db2.gz OFCUXHUQDKVJBR-QGZVFWFLSA-N 1 3 260.425 3.208 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000191465273 375631991 /nfs/dbraw/zinc/63/19/91/375631991.db2.gz OFCUXHUQDKVJBR-QGZVFWFLSA-N 1 3 260.425 3.208 20 0 CGADHO CCC[C@@H](C)N(C)CC1(C[N@H+](C)[C@@H](C)CCC)COC1 ZINC000541070057 376419463 /nfs/dbraw/zinc/41/94/63/376419463.db2.gz DNHXNAZAHIEGPL-IYBDPMFKSA-N 1 3 284.488 3.244 20 0 CGADHO CCC[C@@H](C)N(C)CC1(C[N@@H+](C)[C@@H](C)CCC)COC1 ZINC000541070057 376419470 /nfs/dbraw/zinc/41/94/70/376419470.db2.gz DNHXNAZAHIEGPL-IYBDPMFKSA-N 1 3 284.488 3.244 20 0 CGADHO CCC[C@@H](C)[N@@H+](C)CC1(CN(C)[C@@H](C)CCC)COC1 ZINC000541070057 376419475 /nfs/dbraw/zinc/41/94/75/376419475.db2.gz DNHXNAZAHIEGPL-IYBDPMFKSA-N 1 3 284.488 3.244 20 0 CGADHO CCC[C@@H](C)[N@H+](C)CC1(CN(C)[C@@H](C)CCC)COC1 ZINC000541070057 376419481 /nfs/dbraw/zinc/41/94/81/376419481.db2.gz DNHXNAZAHIEGPL-IYBDPMFKSA-N 1 3 284.488 3.244 20 0 CGADHO Cc1cc(C)cc(OCCCN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227188462 376386815 /nfs/dbraw/zinc/38/68/15/376386815.db2.gz NUBBPBXOYBYXHJ-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO COc1ccc([C@@H](C)NCC2(C)CC[NH+](C)CC2)c(F)c1 ZINC000227499489 376395535 /nfs/dbraw/zinc/39/55/35/376395535.db2.gz DMXABPYCOMAVGX-CYBMUJFWSA-N 1 3 294.414 3.217 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000227540332 376399470 /nfs/dbraw/zinc/39/94/70/376399470.db2.gz KLOQKNXTQKBHQB-ATZDWAIDSA-N 1 3 278.399 3.278 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000263258028 190067269 /nfs/dbraw/zinc/06/72/69/190067269.db2.gz RLYYXBVLWVDFNF-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc4ccccc34)C[C@H]21 ZINC000228476468 376438714 /nfs/dbraw/zinc/43/87/14/376438714.db2.gz RGFGABTYEJBFNH-APHBMKBZSA-N 1 3 286.444 3.461 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000541559113 376458535 /nfs/dbraw/zinc/45/85/35/376458535.db2.gz SLYMMOKRFKUFEM-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000541986397 376499530 /nfs/dbraw/zinc/49/95/30/376499530.db2.gz PBLOILRTKTZOSC-DLBZAZTESA-N 1 3 286.463 3.065 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000541986397 376499533 /nfs/dbraw/zinc/49/95/33/376499533.db2.gz PBLOILRTKTZOSC-DLBZAZTESA-N 1 3 286.463 3.065 20 0 CGADHO COc1ccccc1CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000230287911 376501512 /nfs/dbraw/zinc/50/15/12/376501512.db2.gz RCTAZLUSWNOPTB-WBVHZDCISA-N 1 3 290.451 3.138 20 0 CGADHO Cc1cc(C)c(CN(C)[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000234311398 376615765 /nfs/dbraw/zinc/61/57/65/376615765.db2.gz AFGUMKSMJVHYRM-INIZCTEOSA-N 1 3 260.425 3.186 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000237513978 376748248 /nfs/dbraw/zinc/74/82/48/376748248.db2.gz VMXJYEMDWLPNJX-IXDOHACOSA-N 1 3 264.457 3.300 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086365 376965405 /nfs/dbraw/zinc/96/54/05/376965405.db2.gz IGTQYYLVRYTKTJ-RHSMWYFYSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086365 376965409 /nfs/dbraw/zinc/96/54/09/376965409.db2.gz IGTQYYLVRYTKTJ-RHSMWYFYSA-N 1 3 284.403 3.349 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000558255472 376990853 /nfs/dbraw/zinc/99/08/53/376990853.db2.gz HEBQGBHCWXNVFF-OEAJRASXSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000558255472 376990856 /nfs/dbraw/zinc/99/08/56/376990856.db2.gz HEBQGBHCWXNVFF-OEAJRASXSA-N 1 3 294.389 3.283 20 0 CGADHO COC1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000340441345 377057586 /nfs/dbraw/zinc/05/75/86/377057586.db2.gz PESFEQHGJGLVKD-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)F)c1cccc(OCCN(C)C)c1 ZINC000340458616 377071777 /nfs/dbraw/zinc/07/17/77/377071777.db2.gz BIMCFDGPLBTLFQ-UONOGXRCSA-N 1 3 282.403 3.026 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cncs1 ZINC000340479081 377090829 /nfs/dbraw/zinc/09/08/29/377090829.db2.gz UVZGTIDXMHRNIF-CYBMUJFWSA-N 1 3 267.442 3.060 20 0 CGADHO CCC(CC)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246821850 377096347 /nfs/dbraw/zinc/09/63/47/377096347.db2.gz RJJPMMLKEPSRDP-RDJZCZTQSA-N 1 3 264.457 3.371 20 0 CGADHO CCC(CC)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246821850 377096350 /nfs/dbraw/zinc/09/63/50/377096350.db2.gz RJJPMMLKEPSRDP-RDJZCZTQSA-N 1 3 264.457 3.371 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000246984282 377131812 /nfs/dbraw/zinc/13/18/12/377131812.db2.gz JWCRSVSDEXIGNM-RDJZCZTQSA-N 1 3 290.451 3.294 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000247208887 377176019 /nfs/dbraw/zinc/17/60/19/377176019.db2.gz VPSOFGHLJSQZCO-JZXOWHBKSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000247208887 377176028 /nfs/dbraw/zinc/17/60/28/377176028.db2.gz VPSOFGHLJSQZCO-JZXOWHBKSA-N 1 3 290.451 3.082 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2CCc3c2cccc3C)CC1 ZINC000161594673 542160100 /nfs/dbraw/zinc/16/01/00/542160100.db2.gz YRWSNJXNWNAIGW-SFHVURJKSA-N 1 3 272.436 3.446 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000161611185 542160316 /nfs/dbraw/zinc/16/03/16/542160316.db2.gz FDWJXKADSRPYHL-KDOFPFPSSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249434007 377503620 /nfs/dbraw/zinc/50/36/20/377503620.db2.gz KJJKHZJBQPXQSX-NZSAHSFTSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249434007 377503627 /nfs/dbraw/zinc/50/36/27/377503627.db2.gz KJJKHZJBQPXQSX-NZSAHSFTSA-N 1 3 286.463 3.281 20 0 CGADHO Cc1ccc(Br)cc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563423773 377461054 /nfs/dbraw/zinc/46/10/54/377461054.db2.gz IZQPNUFMWWWYST-KGLIPLIRSA-N 1 3 297.240 3.117 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@H](N)C2)[C@@H]1c1ccccc1 ZINC000563425362 377463985 /nfs/dbraw/zinc/46/39/85/377463985.db2.gz OOWYCKLNWVMNAG-YVSFHVDLSA-N 1 3 272.436 3.286 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414903577 249124094 /nfs/dbraw/zinc/12/40/94/249124094.db2.gz KCUMCGDUOQGIAK-IKGGRYGDSA-N 1 3 276.399 3.194 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@@H](C)CCc2ccccc2)C1 ZINC000469997123 249166277 /nfs/dbraw/zinc/16/62/77/249166277.db2.gz VWASINHPWABCLN-WMZOPIPTSA-N 1 3 274.452 3.187 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000469997123 249166278 /nfs/dbraw/zinc/16/62/78/249166278.db2.gz VWASINHPWABCLN-WMZOPIPTSA-N 1 3 274.452 3.187 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000469997123 249166279 /nfs/dbraw/zinc/16/62/79/249166279.db2.gz VWASINHPWABCLN-WMZOPIPTSA-N 1 3 274.452 3.187 20 0 CGADHO C1=CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000250883465 377569616 /nfs/dbraw/zinc/56/96/16/377569616.db2.gz VZAILKVYXCQZGU-YLFCFFPRSA-N 1 3 262.441 3.243 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000516781250 249244585 /nfs/dbraw/zinc/24/45/85/249244585.db2.gz DXHWDZFNASJBSV-RDTXWAMCSA-N 1 3 268.404 3.194 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781250 249244587 /nfs/dbraw/zinc/24/45/87/249244587.db2.gz DXHWDZFNASJBSV-RDTXWAMCSA-N 1 3 268.404 3.194 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000251212488 377576046 /nfs/dbraw/zinc/57/60/46/377576046.db2.gz CZAPBSGIJZWERC-QEJZJMRPSA-N 1 3 278.465 3.204 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000251212488 377576051 /nfs/dbraw/zinc/57/60/51/377576051.db2.gz CZAPBSGIJZWERC-QEJZJMRPSA-N 1 3 278.465 3.204 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000180131186 542206604 /nfs/dbraw/zinc/20/66/04/542206604.db2.gz ADDPCEMPKFULOD-UONOGXRCSA-N 1 3 278.444 3.023 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000180131186 542206607 /nfs/dbraw/zinc/20/66/07/542206607.db2.gz ADDPCEMPKFULOD-UONOGXRCSA-N 1 3 278.444 3.023 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000251931408 377605394 /nfs/dbraw/zinc/60/53/94/377605394.db2.gz VIDOGPMONQRURJ-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252108639 377614942 /nfs/dbraw/zinc/61/49/42/377614942.db2.gz JGFLXROMRLPWQV-XUWXXGDYSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252108639 377614946 /nfs/dbraw/zinc/61/49/46/377614946.db2.gz JGFLXROMRLPWQV-XUWXXGDYSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2sccc21 ZINC000252711469 377653864 /nfs/dbraw/zinc/65/38/64/377653864.db2.gz JPVALISJLUJRDR-XBFCOCLRSA-N 1 3 264.438 3.055 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2sccc21 ZINC000252711469 377653872 /nfs/dbraw/zinc/65/38/72/377653872.db2.gz JPVALISJLUJRDR-XBFCOCLRSA-N 1 3 264.438 3.055 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000574440872 377663720 /nfs/dbraw/zinc/66/37/20/377663720.db2.gz MZLAGCFUBWXYON-HNNXBMFYSA-N 1 3 276.424 3.180 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NC2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530720 377677784 /nfs/dbraw/zinc/67/77/84/377677784.db2.gz DSWDIKQUQFNUEQ-LSDHHAIUSA-N 1 3 278.827 3.275 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530720 377677791 /nfs/dbraw/zinc/67/77/91/377677791.db2.gz DSWDIKQUQFNUEQ-LSDHHAIUSA-N 1 3 278.827 3.275 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000253178824 377681019 /nfs/dbraw/zinc/68/10/19/377681019.db2.gz CEYIQWQBSDKRSI-BXUZGUMPSA-N 1 3 268.351 3.041 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261546347 377815349 /nfs/dbraw/zinc/81/53/49/377815349.db2.gz KWOCDNTZPKRSRK-HUUCEWRRSA-N 1 3 284.403 3.091 20 0 CGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1(C2CC2)CC1 ZINC000261564043 377818455 /nfs/dbraw/zinc/81/84/55/377818455.db2.gz CGVXAVRUIFSDDI-BZUAXINKSA-N 1 3 262.441 3.077 20 0 CGADHO CCc1cccc(F)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261933350 377869056 /nfs/dbraw/zinc/86/90/56/377869056.db2.gz LTXOCPTYYFQZOR-SFHVURJKSA-N 1 3 290.426 3.352 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262029531 377880111 /nfs/dbraw/zinc/88/01/11/377880111.db2.gz NZEYASAOPSKMOP-AEFFLSMTSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc(C[C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000262097162 377885985 /nfs/dbraw/zinc/88/59/85/377885985.db2.gz VICGYWKGQYJYJQ-ZWKOTPCHSA-N 1 3 272.436 3.002 20 0 CGADHO C[C@]1(CN2CCC(Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000261746029 377849613 /nfs/dbraw/zinc/84/96/13/377849613.db2.gz JAESPSGCSPYZFR-SFHVURJKSA-N 1 3 290.426 3.080 20 0 CGADHO C[C@@H](C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261764453 377852108 /nfs/dbraw/zinc/85/21/08/377852108.db2.gz DFYDWBNIVBWPAU-DBVUQKKJSA-N 1 3 294.442 3.464 20 0 CGADHO C[C@@H](C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261764453 377852117 /nfs/dbraw/zinc/85/21/17/377852117.db2.gz DFYDWBNIVBWPAU-DBVUQKKJSA-N 1 3 294.442 3.464 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261805636 377855604 /nfs/dbraw/zinc/85/56/04/377855604.db2.gz OKTFYWMKSINHIP-QGZVFWFLSA-N 1 3 260.425 3.023 20 0 CGADHO c1ccc2cc(CCN3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000575749411 377987646 /nfs/dbraw/zinc/98/76/46/377987646.db2.gz ROSDOHKYNACFII-HXUWFJFHSA-N 1 3 294.442 3.458 20 0 CGADHO c1ccc2cc(CC[N@@H+]3CC[C@]4(C3)CCCNC4)ccc2c1 ZINC000575749411 377987652 /nfs/dbraw/zinc/98/76/52/377987652.db2.gz ROSDOHKYNACFII-HXUWFJFHSA-N 1 3 294.442 3.458 20 0 CGADHO c1ccc2cc(CC[N@H+]3CC[C@]4(C3)CCCNC4)ccc2c1 ZINC000575749411 377987657 /nfs/dbraw/zinc/98/76/57/377987657.db2.gz ROSDOHKYNACFII-HXUWFJFHSA-N 1 3 294.442 3.458 20 0 CGADHO NC1(C[NH2+]Cc2cccc(-n3cccn3)c2)CCCCCC1 ZINC000578619081 378086133 /nfs/dbraw/zinc/08/61/33/378086133.db2.gz SHEDPNSTZSWGTD-UHFFFAOYSA-N 1 3 298.434 3.014 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000577964019 378026316 /nfs/dbraw/zinc/02/63/16/378026316.db2.gz WLQMCYTXXBNAEC-HZPDHXFCSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000577964019 378026321 /nfs/dbraw/zinc/02/63/21/378026321.db2.gz WLQMCYTXXBNAEC-HZPDHXFCSA-N 1 3 274.452 3.441 20 0 CGADHO CC[NH+](CC)CC1CCN([C@H](C)c2cccnc2)CC1 ZINC000343577026 378026410 /nfs/dbraw/zinc/02/64/10/378026410.db2.gz HYVQYWNABDYGAZ-OAHLLOKOSA-N 1 3 275.440 3.196 20 0 CGADHO CC[C@@H](NCCCC[NH+](C)C)c1cc(F)ccc1F ZINC000268881169 378141395 /nfs/dbraw/zinc/14/13/95/378141395.db2.gz FJHRPFOLTMWZMZ-OAHLLOKOSA-N 1 3 270.367 3.347 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000579554082 378171003 /nfs/dbraw/zinc/17/10/03/378171003.db2.gz HRGKWRBJESCGDU-MUJYYYPQSA-N 1 3 270.461 3.041 20 0 CGADHO COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])c2ccccc12 ZINC000582241123 378295852 /nfs/dbraw/zinc/29/58/52/378295852.db2.gz CJVSPLOXPUTZHA-OLZOCXBDSA-N 1 3 272.392 3.064 20 0 CGADHO c1cc2cccc(C[N@H+]3CC[C@@H](CN4CCCC4)C3)c2[nH]1 ZINC000271178470 378471954 /nfs/dbraw/zinc/47/19/54/378471954.db2.gz GUEOGQVHLREOHA-HNNXBMFYSA-N 1 3 283.419 3.086 20 0 CGADHO c1cc2cccc(C[N@@H+]3CC[C@@H](CN4CCCC4)C3)c2[nH]1 ZINC000271178470 378471956 /nfs/dbraw/zinc/47/19/56/378471956.db2.gz GUEOGQVHLREOHA-HNNXBMFYSA-N 1 3 283.419 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181943 378475431 /nfs/dbraw/zinc/47/54/31/378475431.db2.gz JYPXWINZXPKQQX-OAHLLOKOSA-N 1 3 285.435 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181943 378475436 /nfs/dbraw/zinc/47/54/36/378475436.db2.gz JYPXWINZXPKQQX-OAHLLOKOSA-N 1 3 285.435 3.332 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213296 378484099 /nfs/dbraw/zinc/48/40/99/378484099.db2.gz VRRUUUIJCFIFJS-KXBFYZLASA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000271213296 378484104 /nfs/dbraw/zinc/48/41/04/378484104.db2.gz VRRUUUIJCFIFJS-KXBFYZLASA-N 1 3 297.446 3.397 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000346480742 378591090 /nfs/dbraw/zinc/59/10/90/378591090.db2.gz FZEIVYJKTMYVQD-WKULXVSPSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)c1nc([C@@H](C)NCCCC[NH+](C)C)cs1 ZINC000346630996 378653408 /nfs/dbraw/zinc/65/34/08/378653408.db2.gz ZUZABXJHKRZSAS-GFCCVEGCSA-N 1 3 269.458 3.259 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000346639409 378656719 /nfs/dbraw/zinc/65/67/19/378656719.db2.gz KFIHUIGQXAJTAN-UHFFFAOYSA-N 1 3 295.496 3.163 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638076779 378688276 /nfs/dbraw/zinc/68/82/76/378688276.db2.gz MGQKBEPONANTEC-CGTJXYLNSA-N 1 3 272.436 3.064 20 0 CGADHO c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000346843249 378694364 /nfs/dbraw/zinc/69/43/64/378694364.db2.gz XSDLOVUFWBKDSB-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000346843249 378694371 /nfs/dbraw/zinc/69/43/71/378694371.db2.gz XSDLOVUFWBKDSB-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000348082733 378781759 /nfs/dbraw/zinc/78/17/59/378781759.db2.gz SYVFJJQDLGXMNF-NVXWUHKLSA-N 1 3 273.424 3.076 20 0 CGADHO Cc1ccoc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000266223255 190241712 /nfs/dbraw/zinc/24/17/12/190241712.db2.gz RQXAWULKMFXIOE-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1ccoc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000266223255 190241713 /nfs/dbraw/zinc/24/17/13/190241713.db2.gz RQXAWULKMFXIOE-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1C ZINC000346847425 218034739 /nfs/dbraw/zinc/03/47/39/218034739.db2.gz MLSDWCBPKVOTTF-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1C ZINC000346847425 218034740 /nfs/dbraw/zinc/03/47/40/218034740.db2.gz MLSDWCBPKVOTTF-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1C ZINC000346847425 218034742 /nfs/dbraw/zinc/03/47/42/218034742.db2.gz MLSDWCBPKVOTTF-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc4ccccc4s3)C[C@@H]21 ZINC000346838315 218031437 /nfs/dbraw/zinc/03/14/37/218031437.db2.gz WXUXOUYLEZDLQT-CWRNSKLLSA-N 1 3 286.444 3.461 20 0 CGADHO Clc1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278516103 194022272 /nfs/dbraw/zinc/02/22/72/194022272.db2.gz QYOHKDJJGQFGBK-UHFFFAOYSA-N 1 3 278.827 3.304 20 0 CGADHO CCO[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000872 218087139 /nfs/dbraw/zinc/08/71/39/218087139.db2.gz ZQPDVCOULCLAOH-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCNC2)C12CCCCC2 ZINC000347000872 218087141 /nfs/dbraw/zinc/08/71/41/218087141.db2.gz ZQPDVCOULCLAOH-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCNC2)C12CCCCC2 ZINC000347000872 218087143 /nfs/dbraw/zinc/08/71/43/218087143.db2.gz ZQPDVCOULCLAOH-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]([NH2+]CC1CCSCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000638970667 378961041 /nfs/dbraw/zinc/96/10/41/378961041.db2.gz MSKFMHXSWXKJKP-GOEBONIOSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152898 218138759 /nfs/dbraw/zinc/13/87/59/218138759.db2.gz BMXGKZFUNPDFON-KXBFYZLASA-N 1 3 295.430 3.450 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152898 218138760 /nfs/dbraw/zinc/13/87/60/218138760.db2.gz BMXGKZFUNPDFON-KXBFYZLASA-N 1 3 295.430 3.450 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC(C)(C)COC ZINC000348971292 379127857 /nfs/dbraw/zinc/12/78/57/379127857.db2.gz YCLHYOLTVMAASX-UHFFFAOYSA-N 1 3 292.467 3.243 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC(C)(C)COC ZINC000348971292 379127861 /nfs/dbraw/zinc/12/78/61/379127861.db2.gz YCLHYOLTVMAASX-UHFFFAOYSA-N 1 3 292.467 3.243 20 0 CGADHO CCSc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000349644856 379328338 /nfs/dbraw/zinc/32/83/38/379328338.db2.gz IWHRXUWDMSNNJC-CJNGLKHVSA-N 1 3 278.465 3.228 20 0 CGADHO CCSc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000349644856 379328344 /nfs/dbraw/zinc/32/83/44/379328344.db2.gz IWHRXUWDMSNNJC-CJNGLKHVSA-N 1 3 278.465 3.228 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(C)cc1 ZINC000349663592 379336552 /nfs/dbraw/zinc/33/65/52/379336552.db2.gz KPYWGWWRIPJXOA-MRXNPFEDSA-N 1 3 278.440 3.004 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000377222447 379647043 /nfs/dbraw/zinc/64/70/43/379647043.db2.gz HIFRKRPWMWLNOY-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000377222447 379647050 /nfs/dbraw/zinc/64/70/50/379647050.db2.gz HIFRKRPWMWLNOY-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO CCS[C@H]1CC[C@H](N(C)CCC[NH+](CC)CC)C1 ZINC000351470265 379721695 /nfs/dbraw/zinc/72/16/95/379721695.db2.gz BHEDYKVIISPQDF-GJZGRUSLSA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@H]1CC[C@H]([N@H+](C)CCCN(CC)CC)C1 ZINC000351470265 379721704 /nfs/dbraw/zinc/72/17/04/379721704.db2.gz BHEDYKVIISPQDF-GJZGRUSLSA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@H]1CC[C@H]([N@@H+](C)CCCN(CC)CC)C1 ZINC000351470265 379721715 /nfs/dbraw/zinc/72/17/15/379721715.db2.gz BHEDYKVIISPQDF-GJZGRUSLSA-N 1 3 272.502 3.324 20 0 CGADHO C[C@H](C[N@@H+]1CCCC[C@H]1CCN)c1ccc(F)cc1 ZINC000352527338 379844677 /nfs/dbraw/zinc/84/46/77/379844677.db2.gz ZBNKTMDHKOAMOU-CJNGLKHVSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@H](C[N@H+]1CCCC[C@H]1CCN)c1ccc(F)cc1 ZINC000352527338 379844680 /nfs/dbraw/zinc/84/46/80/379844680.db2.gz ZBNKTMDHKOAMOU-CJNGLKHVSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@H](CN1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527338 379844683 /nfs/dbraw/zinc/84/46/83/379844683.db2.gz ZBNKTMDHKOAMOU-CJNGLKHVSA-N 1 3 264.388 3.133 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2ccc(C)c(C)c2)CC1 ZINC000125259376 535457631 /nfs/dbraw/zinc/45/76/31/535457631.db2.gz YYSWMQHTXNJVHL-UHFFFAOYSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cncc(CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000640534303 379820112 /nfs/dbraw/zinc/82/01/12/379820112.db2.gz PKNVCQOOVNWNPM-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352718204 379921581 /nfs/dbraw/zinc/92/15/81/379921581.db2.gz JCSWOOOCMLEQSS-FHERZECASA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)[N@@H+]1CCC[C@@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000352718204 379921583 /nfs/dbraw/zinc/92/15/83/379921583.db2.gz JCSWOOOCMLEQSS-FHERZECASA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)[N@H+]1CCC[C@@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000352718204 379921584 /nfs/dbraw/zinc/92/15/84/379921584.db2.gz JCSWOOOCMLEQSS-FHERZECASA-N 1 3 282.472 3.043 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c2ccccc21 ZINC000403787134 379976421 /nfs/dbraw/zinc/97/64/21/379976421.db2.gz ZJAJSGMMKMRCJT-XRQSXFTLSA-N 1 3 256.393 3.157 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000352759565 379943522 /nfs/dbraw/zinc/94/35/22/379943522.db2.gz JZOATCAGOASIKI-OAHLLOKOSA-N 1 3 272.392 3.254 20 0 CGADHO CCc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000352821520 379981669 /nfs/dbraw/zinc/98/16/69/379981669.db2.gz PXJNHTJOGCHUOT-MRXNPFEDSA-N 1 3 289.467 3.246 20 0 CGADHO CCc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000352821520 379981673 /nfs/dbraw/zinc/98/16/73/379981673.db2.gz PXJNHTJOGCHUOT-MRXNPFEDSA-N 1 3 289.467 3.246 20 0 CGADHO CCC(CC)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000409445275 380031925 /nfs/dbraw/zinc/03/19/25/380031925.db2.gz QTZAIIJULALWKJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC(CC)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000409445275 380031926 /nfs/dbraw/zinc/03/19/26/380031926.db2.gz QTZAIIJULALWKJ-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CN1CC=C(C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641777233 380093375 /nfs/dbraw/zinc/09/33/75/380093375.db2.gz MWFFNOCQDABNAA-SFHVURJKSA-N 1 3 270.420 3.379 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790254 380100325 /nfs/dbraw/zinc/10/03/25/380100325.db2.gz VWBPLZDOAUSZMS-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790254 380100334 /nfs/dbraw/zinc/10/03/34/380100334.db2.gz VWBPLZDOAUSZMS-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790254 380100343 /nfs/dbraw/zinc/10/03/43/380100343.db2.gz VWBPLZDOAUSZMS-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H](NCc1nsc2ccccc21)C1CC[NH+](C)CC1 ZINC000641793095 380107263 /nfs/dbraw/zinc/10/72/63/380107263.db2.gz ZZNRLGLRPIXECM-GFCCVEGCSA-N 1 3 289.448 3.116 20 0 CGADHO C[C@H](CN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000642338817 380166855 /nfs/dbraw/zinc/16/68/55/380166855.db2.gz OAODADDTQTZLSK-MRXNPFEDSA-N 1 3 281.403 3.007 20 0 CGADHO CC(C)OC1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643475752 380317647 /nfs/dbraw/zinc/31/76/47/380317647.db2.gz JQHLPHHVKLNGJW-PCHAPFSGSA-N 1 3 288.435 3.457 20 0 CGADHO Cc1ccc(CCC[NH2+][C@H]2CCNCC[C@@H]2C)c(C)c1 ZINC000643457080 380308397 /nfs/dbraw/zinc/30/83/97/380308397.db2.gz PJPQNRSIVXSNDV-YJBOKZPZSA-N 1 3 274.452 3.214 20 0 CGADHO COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000643457445 380310115 /nfs/dbraw/zinc/31/01/15/380310115.db2.gz CKMLJJQGAWKWML-GOEBONIOSA-N 1 3 290.451 3.080 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCCC[C@H]1C ZINC000643547541 380363647 /nfs/dbraw/zinc/36/36/47/380363647.db2.gz GSEAFFDQIWUDAC-QXSJWSMHSA-N 1 3 264.457 3.466 20 0 CGADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000643548473 380365541 /nfs/dbraw/zinc/36/55/41/380365541.db2.gz PYORUJKONIOFEO-HUUCEWRRSA-N 1 3 288.435 3.329 20 0 CGADHO C[C@@H]1C[C@H](CN(C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688381 380374219 /nfs/dbraw/zinc/37/42/19/380374219.db2.gz DCMDZIBNEROYIM-VXGBXAGGSA-N 1 3 284.806 3.299 20 0 CGADHO CCN(Cc1cccc(C)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000414717572 380386159 /nfs/dbraw/zinc/38/61/59/380386159.db2.gz PVBFVSWUSXJCNX-QGZVFWFLSA-N 1 3 260.425 3.267 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000643522027 380337731 /nfs/dbraw/zinc/33/77/31/380337731.db2.gz GPFIVTGQVOIHKN-DOTOQJQBSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523499 380339545 /nfs/dbraw/zinc/33/95/45/380339545.db2.gz VWNLJIGWJQPEID-LBPRGKRZSA-N 1 3 272.417 3.072 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534816 380349431 /nfs/dbraw/zinc/34/94/31/380349431.db2.gz DELANRLGTXJWAP-XHDPSFHLSA-N 1 3 294.439 3.340 20 0 CGADHO CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534211 380349822 /nfs/dbraw/zinc/34/98/22/380349822.db2.gz OJIFQDCJGNSTQP-CABCVRRESA-N 1 3 280.362 3.148 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CNCCCO1)c1cccc2ccccc21 ZINC000643542407 380357728 /nfs/dbraw/zinc/35/77/28/380357728.db2.gz MCHWJNYJLAYVQA-VQIMIIECSA-N 1 3 298.430 3.259 20 0 CGADHO Cc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662015 380358233 /nfs/dbraw/zinc/35/82/33/380358233.db2.gz PLKFGYJLDWSABE-DGCLKSJQSA-N 1 3 286.341 3.183 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546881 380361028 /nfs/dbraw/zinc/36/10/28/380361028.db2.gz WELVKTJAEUZICO-KBPBESRZSA-N 1 3 278.465 3.334 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547163 380361672 /nfs/dbraw/zinc/36/16/72/380361672.db2.gz AJXYMHWOFPMAIF-JJXSEGSLSA-N 1 3 264.457 3.466 20 0 CGADHO Cc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000414812797 380423740 /nfs/dbraw/zinc/42/37/40/380423740.db2.gz RUIJDOXLKVNJRF-CYBMUJFWSA-N 1 3 272.367 3.444 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(-c2ccncc2)c1 ZINC000414813668 380424455 /nfs/dbraw/zinc/42/44/55/380424455.db2.gz YPDSRDMZGSYSEN-OALUTQOASA-N 1 3 295.430 3.356 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CNC ZINC000414829749 380437693 /nfs/dbraw/zinc/43/76/93/380437693.db2.gz BKENSAWAYLYJDS-DOTOQJQBSA-N 1 3 262.441 3.233 20 0 CGADHO C[C@@H](CCc1ccsc1)NCC1([NH3+])CCCCC1 ZINC000414834388 380442010 /nfs/dbraw/zinc/44/20/10/380442010.db2.gz BSUARLALEJAPDG-ZDUSSCGKSA-N 1 3 266.454 3.320 20 0 CGADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000414839434 380446360 /nfs/dbraw/zinc/44/63/60/380446360.db2.gz XMGMENJLSYZVCU-UJJTZGENSA-N 1 3 272.436 3.299 20 0 CGADHO Cc1cc(C)c(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000414843301 380449619 /nfs/dbraw/zinc/44/96/19/380449619.db2.gz BRGYJQCTUIHIGV-HZPDHXFCSA-N 1 3 260.425 3.090 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)NCC1([NH3+])CCCCC1 ZINC000414846021 380450057 /nfs/dbraw/zinc/45/00/57/380450057.db2.gz RXAPOQULCCFVRS-AWEZNQCLSA-N 1 3 278.415 3.398 20 0 CGADHO Clc1cccc(Cl)c1CNCC[C@H]1CCC[NH2+]C1 ZINC000414851608 380453583 /nfs/dbraw/zinc/45/35/83/380453583.db2.gz OKKMLLBPPLRIJV-LLVKDONJSA-N 1 3 287.234 3.473 20 0 CGADHO Cc1ccc(CCC[NH2+]C[C@H]2CCCN(C(C)C)C2)cn1 ZINC000354328901 380401128 /nfs/dbraw/zinc/40/11/28/380401128.db2.gz JUHCXMPHKKYNSF-GOSISDBHSA-N 1 3 289.467 3.033 20 0 CGADHO Cc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788087 380405378 /nfs/dbraw/zinc/40/53/78/380405378.db2.gz WEKJLCNSUCHOQO-HOTGVXAUSA-N 1 3 292.854 3.470 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414793052 380408485 /nfs/dbraw/zinc/40/84/85/380408485.db2.gz JQVZOGNMZASQRJ-SMDDNHRTSA-N 1 3 288.357 3.209 20 0 CGADHO C1CCC([C@@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)CC1 ZINC000414795817 380411081 /nfs/dbraw/zinc/41/10/81/380411081.db2.gz XEICXASKHRIXGQ-IRXDYDNUSA-N 1 3 264.457 3.467 20 0 CGADHO COc1ccc2oc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2c1 ZINC000414810339 380422718 /nfs/dbraw/zinc/42/27/18/380422718.db2.gz VGIRZRFKRNGCSM-BLLLJJGKSA-N 1 3 288.391 3.049 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414941222 380498100 /nfs/dbraw/zinc/49/81/00/380498100.db2.gz LCDQIEZSWQAJDA-DMDPSCGWSA-N 1 3 286.872 3.310 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414858686 380459753 /nfs/dbraw/zinc/45/97/53/380459753.db2.gz KPLCSPSRIWSETK-LSDHHAIUSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414858686 380459757 /nfs/dbraw/zinc/45/97/57/380459757.db2.gz KPLCSPSRIWSETK-LSDHHAIUSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)n1ccc(C[C@H](C)[NH2+]CC2(N)CCCCCC2)n1 ZINC000414860721 380461132 /nfs/dbraw/zinc/46/11/32/380461132.db2.gz QKBCJPQZFKZINB-HNNXBMFYSA-N 1 3 292.471 3.036 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1 ZINC000414861277 380461164 /nfs/dbraw/zinc/46/11/64/380461164.db2.gz WJKBJXWKKNBMML-XYJFISCASA-N 1 3 274.452 3.294 20 0 CGADHO CNCCC[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414863021 380462971 /nfs/dbraw/zinc/46/29/71/380462971.db2.gz WPHQFZYYIVCEDW-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO C[NH2+]CCCN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414863021 380462979 /nfs/dbraw/zinc/46/29/79/380462979.db2.gz WPHQFZYYIVCEDW-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO Fc1ccc(/C=C/CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414872058 380468063 /nfs/dbraw/zinc/46/80/63/380468063.db2.gz FODHDQZAKMRSJN-DAFODLJHSA-N 1 3 299.393 3.003 20 0 CGADHO C[C@H](CN)C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414884652 380473790 /nfs/dbraw/zinc/47/37/90/380473790.db2.gz VYYOOCPOBVITHN-SNVBAGLBSA-N 1 3 275.223 3.110 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414883277 380474210 /nfs/dbraw/zinc/47/42/10/380474210.db2.gz DGDBPGWVXGNQQC-SFHVURJKSA-N 1 3 296.414 3.189 20 0 CGADHO N[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000414886056 380474448 /nfs/dbraw/zinc/47/44/48/380474448.db2.gz CGJMGQKINNVJTQ-OAHLLOKOSA-N 1 3 290.407 3.381 20 0 CGADHO N[C@H](C[NH2+]Cc1ccc(F)c(-c2cccs2)c1)C1CC1 ZINC000414897255 380477880 /nfs/dbraw/zinc/47/78/80/380477880.db2.gz QWOMZICNHWIETC-OAHLLOKOSA-N 1 3 290.407 3.381 20 0 CGADHO CSc1ccccc1C[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000414899949 380479645 /nfs/dbraw/zinc/47/96/45/380479645.db2.gz CQSIVLVGTFACBI-DZGCQCFKSA-N 1 3 278.465 3.071 20 0 CGADHO [NH3+]CCCCNCc1cc(Cl)ccc1OC1CCCC1 ZINC000414899370 380480026 /nfs/dbraw/zinc/48/00/26/380480026.db2.gz FTVSGCJIZUURKZ-UHFFFAOYSA-N 1 3 296.842 3.490 20 0 CGADHO C[C@@H]1[C@H]([NH2+]C[C@]2(C)CCCNC2)C[C@@H]1c1ccccc1 ZINC000414899058 380480159 /nfs/dbraw/zinc/48/01/59/380480159.db2.gz CDFVMIUGFQCHNX-DZJNRPSUSA-N 1 3 272.436 3.158 20 0 CGADHO CCC[C@H](CNCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000414899393 380480316 /nfs/dbraw/zinc/48/03/16/380480316.db2.gz BRNSPRBIHPEAGA-IAGOWNOFSA-N 1 3 260.425 3.302 20 0 CGADHO C[C@H](C[NH2+]C[C@]1(C)CCCNC1)c1cccc(Cl)c1 ZINC000414899110 380480658 /nfs/dbraw/zinc/48/06/58/380480658.db2.gz CFPGREWJCLTBCV-CZUORRHYSA-N 1 3 280.843 3.423 20 0 CGADHO Cc1ccc(CC[C@@H](C)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414901017 380482816 /nfs/dbraw/zinc/48/28/16/380482816.db2.gz FLWIMDBTWJESCM-NVXWUHKLSA-N 1 3 260.425 3.048 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H](C)c1ccccc1 ZINC000414906803 380484346 /nfs/dbraw/zinc/48/43/46/380484346.db2.gz MTCOTFSBKDBAPZ-HLLBOEOZSA-N 1 3 260.425 3.158 20 0 CGADHO COCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000423190964 284835469 /nfs/dbraw/zinc/83/54/69/284835469.db2.gz SFOWGSUPBOKAPG-YXYCDRMUSA-N 1 3 294.483 3.092 20 0 CGADHO CC1=C[C@@H](C)C[C@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000356096722 380790534 /nfs/dbraw/zinc/79/05/34/380790534.db2.gz LZTPRKZNAZDFST-HIFRSBDPSA-N 1 3 250.430 3.005 20 0 CGADHO CC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000356888244 380923332 /nfs/dbraw/zinc/92/33/32/380923332.db2.gz ZFDVNYHUCXYOMG-KZNAEPCWSA-N 1 3 284.447 3.287 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358195857 381295614 /nfs/dbraw/zinc/29/56/14/381295614.db2.gz CWCHEXYBGLOCNU-ZBFHGGJFSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000358195857 381295621 /nfs/dbraw/zinc/29/56/21/381295621.db2.gz CWCHEXYBGLOCNU-ZBFHGGJFSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](C)[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000359801974 381368343 /nfs/dbraw/zinc/36/83/43/381368343.db2.gz YSVYPCWPMJOIQE-HOTGVXAUSA-N 1 3 290.451 3.186 20 0 CGADHO CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000361315615 381690141 /nfs/dbraw/zinc/69/01/41/381690141.db2.gz LOYMVFBWVZSXHL-RYRKJORJSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361315615 381690148 /nfs/dbraw/zinc/69/01/48/381690148.db2.gz LOYMVFBWVZSXHL-RYRKJORJSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315615 381690158 /nfs/dbraw/zinc/69/01/58/381690158.db2.gz LOYMVFBWVZSXHL-RYRKJORJSA-N 1 3 296.499 3.026 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362925170 382150458 /nfs/dbraw/zinc/15/04/58/382150458.db2.gz RMQLPKWMENTNEV-ZBFHGGJFSA-N 1 3 289.398 3.269 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388434 542334744 /nfs/dbraw/zinc/33/47/44/542334744.db2.gz QZCFFMMUBIETHZ-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388434 542334747 /nfs/dbraw/zinc/33/47/47/542334747.db2.gz QZCFFMMUBIETHZ-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388434 542334750 /nfs/dbraw/zinc/33/47/50/542334750.db2.gz QZCFFMMUBIETHZ-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388434 542334752 /nfs/dbraw/zinc/33/47/52/542334752.db2.gz QZCFFMMUBIETHZ-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000423327773 533004605 /nfs/dbraw/zinc/00/46/05/533004605.db2.gz DIDWHTFTDFCEHB-CYBMUJFWSA-N 1 3 297.402 3.020 20 0 CGADHO Cc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc(C)c1O ZINC000289243559 197272411 /nfs/dbraw/zinc/27/24/11/197272411.db2.gz LHASLSYJZFTSKU-UHFFFAOYSA-N 1 3 288.435 3.116 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000423277519 533176691 /nfs/dbraw/zinc/17/66/91/533176691.db2.gz OIVYKZXDMZUKGM-YQYZPQCESA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000305108765 542416143 /nfs/dbraw/zinc/41/61/43/542416143.db2.gz DXEIDGJUUCHUPE-CGTJXYLNSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000305108765 542416146 /nfs/dbraw/zinc/41/61/46/542416146.db2.gz DXEIDGJUUCHUPE-CGTJXYLNSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000305127848 542417728 /nfs/dbraw/zinc/41/77/28/542417728.db2.gz LWQQIFJFQQRHJF-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000305127848 542417733 /nfs/dbraw/zinc/41/77/33/542417733.db2.gz LWQQIFJFQQRHJF-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CC[C@@H]1C1CC1)C(C)C ZINC000348119030 542516786 /nfs/dbraw/zinc/51/67/86/542516786.db2.gz FOPJSZPJCLNJHK-CVEARBPZSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)N(CCC[NH2+][C@H]1CC[C@@H]1C1CC1)C(C)C ZINC000348119030 542516790 /nfs/dbraw/zinc/51/67/90/542516790.db2.gz FOPJSZPJCLNJHK-CVEARBPZSA-N 1 3 252.446 3.274 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221720674 262292724 /nfs/dbraw/zinc/29/27/24/262292724.db2.gz IUHGICLPCOYWAR-GRDNDAEWSA-N 1 3 260.425 3.382 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221720674 262292726 /nfs/dbraw/zinc/29/27/26/262292726.db2.gz IUHGICLPCOYWAR-GRDNDAEWSA-N 1 3 260.425 3.382 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C1CCCCC1 ZINC000093488713 533370054 /nfs/dbraw/zinc/37/00/54/533370054.db2.gz ZDSXIMNNTYIIIP-YESZJQIVSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(Br)c1 ZINC000424302575 533519437 /nfs/dbraw/zinc/51/94/37/533519437.db2.gz ZXQJXPIAOYSXRN-LERXQTSPSA-N 1 3 297.240 3.370 20 0 CGADHO COc1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c2ccccc12 ZINC000094692770 533567641 /nfs/dbraw/zinc/56/76/41/533567641.db2.gz QBXFPKHERLDTBX-GUYCJALGSA-N 1 3 284.403 3.018 20 0 CGADHO Cn1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000390755573 542611400 /nfs/dbraw/zinc/61/14/00/542611400.db2.gz VRDZUVGHUZIOCJ-GOSISDBHSA-N 1 3 297.446 3.027 20 0 CGADHO Cn1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390755573 542611402 /nfs/dbraw/zinc/61/14/02/542611402.db2.gz VRDZUVGHUZIOCJ-GOSISDBHSA-N 1 3 297.446 3.027 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)CC1 ZINC000392269290 542612901 /nfs/dbraw/zinc/61/29/01/542612901.db2.gz JYCYLNIDMXMMRL-ZBFHGGJFSA-N 1 3 250.430 3.197 20 0 CGADHO [NH3+]CCCNC1(c2cccc(Cl)c2)CCCC1 ZINC000414697717 542638239 /nfs/dbraw/zinc/63/82/39/542638239.db2.gz CTMBOZACRBPQER-UHFFFAOYSA-N 1 3 252.789 3.048 20 0 CGADHO CC(C)(N)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414801441 542638743 /nfs/dbraw/zinc/63/87/43/542638743.db2.gz JFOFSEXRKCSWFN-UHFFFAOYSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1cccc(Cl)c1 ZINC000414923579 542640485 /nfs/dbraw/zinc/64/04/85/542640485.db2.gz IOPCASWBNYKKMR-DFBGVHRSSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000414923579 542640490 /nfs/dbraw/zinc/64/04/90/542640490.db2.gz IOPCASWBNYKKMR-DFBGVHRSSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000414926844 542640848 /nfs/dbraw/zinc/64/08/48/542640848.db2.gz NSQGDWDKPDVTOU-XIRDDKMYSA-N 1 3 260.425 3.176 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000414930121 542640882 /nfs/dbraw/zinc/64/08/82/542640882.db2.gz SLRYUHQFGJIGDX-IXDOHACOSA-N 1 3 260.425 3.430 20 0 CGADHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)c2ccccc12 ZINC000414921813 542641088 /nfs/dbraw/zinc/64/10/88/542641088.db2.gz FZOHLCKKOCEXAD-GJZGRUSLSA-N 1 3 284.403 3.208 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCC[NH3+])C1 ZINC000414699207 542638302 /nfs/dbraw/zinc/63/83/02/542638302.db2.gz DMZMKOSJILFZSU-RISCZKNCSA-N 1 3 286.341 3.437 20 0 CGADHO Cc1cc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000037649077 391982030 /nfs/dbraw/zinc/98/20/30/391982030.db2.gz PABFNJJTWTUKEK-OCCSQVGLSA-N 1 3 278.465 3.500 20 0 CGADHO Cc1cc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649077 391982036 /nfs/dbraw/zinc/98/20/36/391982036.db2.gz PABFNJJTWTUKEK-OCCSQVGLSA-N 1 3 278.465 3.500 20 0 CGADHO Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971207 391993120 /nfs/dbraw/zinc/99/31/20/391993120.db2.gz RSDAHOQCQLJYDS-UHFFFAOYSA-N 1 3 272.436 3.303 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000070092152 392176926 /nfs/dbraw/zinc/17/69/26/392176926.db2.gz JUYDKTDJOVJNOV-JSGCOSHPSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000070092150 392177269 /nfs/dbraw/zinc/17/72/69/392177269.db2.gz JUYDKTDJOVJNOV-OCCSQVGLSA-N 1 3 266.454 3.439 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358796 392182115 /nfs/dbraw/zinc/18/21/15/392182115.db2.gz KEPMZGIOWOKLKM-AEFFLSMTSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358796 392182119 /nfs/dbraw/zinc/18/21/19/392182119.db2.gz KEPMZGIOWOKLKM-AEFFLSMTSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358796 392182122 /nfs/dbraw/zinc/18/21/22/392182122.db2.gz KEPMZGIOWOKLKM-AEFFLSMTSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000361763654 392316651 /nfs/dbraw/zinc/31/66/51/392316651.db2.gz ISJLISRUANYDNM-QRTARXTBSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000361763654 392316654 /nfs/dbraw/zinc/31/66/54/392316654.db2.gz ISJLISRUANYDNM-QRTARXTBSA-N 1 3 276.424 3.219 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000105480547 392289135 /nfs/dbraw/zinc/28/91/35/392289135.db2.gz RFVZMEFQLGEEDO-FZMZJTMJSA-N 1 3 286.341 3.135 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000105480547 392289140 /nfs/dbraw/zinc/28/91/40/392289140.db2.gz RFVZMEFQLGEEDO-FZMZJTMJSA-N 1 3 286.341 3.135 20 0 CGADHO CN1CCCC[C@@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361931799 392368365 /nfs/dbraw/zinc/36/83/65/392368365.db2.gz YXPRZMOZCZBXGB-RHSMWYFYSA-N 1 3 288.435 3.234 20 0 CGADHO CCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134872108 392467947 /nfs/dbraw/zinc/46/79/47/392467947.db2.gz UXOLYCVQZQQPIM-GDBMZVCRSA-N 1 3 250.430 3.125 20 0 CGADHO CCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134872108 392467949 /nfs/dbraw/zinc/46/79/49/392467949.db2.gz UXOLYCVQZQQPIM-GDBMZVCRSA-N 1 3 250.430 3.125 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000293751416 392527016 /nfs/dbraw/zinc/52/70/16/392527016.db2.gz QIVKZTRLOJDDSY-DDBAPUKQSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000293751416 392527019 /nfs/dbraw/zinc/52/70/19/392527019.db2.gz QIVKZTRLOJDDSY-DDBAPUKQSA-N 1 3 288.410 3.288 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289963 392640723 /nfs/dbraw/zinc/64/07/23/392640723.db2.gz RCDZTGUZWSOBBJ-OIISXLGYSA-N 1 3 275.440 3.241 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000647289963 392640726 /nfs/dbraw/zinc/64/07/26/392640726.db2.gz RCDZTGUZWSOBBJ-OIISXLGYSA-N 1 3 275.440 3.241 20 0 CGADHO Cc1ccccc1C1(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000647316519 392662186 /nfs/dbraw/zinc/66/21/86/392662186.db2.gz PANJYQXQBWRCPI-UHFFFAOYSA-N 1 3 270.420 3.201 20 0 CGADHO CCCOc1ccc(CN(CCC)C2CC[NH2+]CC2)cc1 ZINC000647485062 392739103 /nfs/dbraw/zinc/73/91/03/392739103.db2.gz ZLSFHOPRROQHDB-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCCOc1ccc(C[N@H+](CCC)C2CCNCC2)cc1 ZINC000647485062 392739105 /nfs/dbraw/zinc/73/91/05/392739105.db2.gz ZLSFHOPRROQHDB-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCCOc1ccc(C[N@@H+](CCC)C2CCNCC2)cc1 ZINC000647485062 392739107 /nfs/dbraw/zinc/73/91/07/392739107.db2.gz ZLSFHOPRROQHDB-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000182376417 392744804 /nfs/dbraw/zinc/74/48/04/392744804.db2.gz SEJLIUBJAMVQGT-SCLBCKFNSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376417 392744806 /nfs/dbraw/zinc/74/48/06/392744806.db2.gz SEJLIUBJAMVQGT-SCLBCKFNSA-N 1 3 288.410 3.277 20 0 CGADHO C[C@@H]1C[C@@H](CNC2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC000647552748 392765350 /nfs/dbraw/zinc/76/53/50/392765350.db2.gz UZWOMCJCFXCHDV-OLZOCXBDSA-N 1 3 278.827 3.307 20 0 CGADHO CCN(CCC[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000187777835 392791077 /nfs/dbraw/zinc/79/10/77/392791077.db2.gz MCLNWVHYOJVKIR-OAHLLOKOSA-N 1 3 280.481 3.487 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2CCNCC2)c2sccc21 ZINC000335453407 392795437 /nfs/dbraw/zinc/79/54/37/392795437.db2.gz UMONAOKBEAJKHQ-GWCFXTLKSA-N 1 3 250.411 3.028 20 0 CGADHO c1ccc([C@@H]2CN(C[C@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874650 392821134 /nfs/dbraw/zinc/82/11/34/392821134.db2.gz JUKXDZDLLNBYKC-JXFKEZNVSA-N 1 3 292.426 3.244 20 0 CGADHO CC1([NH3+])CCN(CCc2ccc3ccccc3c2)CC1 ZINC000647924948 392834120 /nfs/dbraw/zinc/83/41/20/392834120.db2.gz XZBIDVOLFJVILH-UHFFFAOYSA-N 1 3 268.404 3.196 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000519779927 392893300 /nfs/dbraw/zinc/89/33/00/392893300.db2.gz SOPQQHRDJNEXBW-KBPBESRZSA-N 1 3 282.378 3.147 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674165 392880253 /nfs/dbraw/zinc/88/02/53/392880253.db2.gz WHUPDEJGMXRPBX-NCXUSEDFSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674165 392880260 /nfs/dbraw/zinc/88/02/60/392880260.db2.gz WHUPDEJGMXRPBX-NCXUSEDFSA-N 1 3 284.447 3.206 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)Cc1ccc(Cl)cc1 ZINC000520393146 392921792 /nfs/dbraw/zinc/92/17/92/392921792.db2.gz HNXFWPBIZCVAJK-CYBMUJFWSA-N 1 3 268.832 3.249 20 0 CGADHO C[C@H](CCN1CC[C@@H](C2CC2)C1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491242812 542717251 /nfs/dbraw/zinc/71/72/51/542717251.db2.gz IWDRQSHIJIVOBA-OLMNPRSZSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CCN1CC[C@@H](C2CC2)C1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491242812 542717257 /nfs/dbraw/zinc/71/72/57/542717257.db2.gz IWDRQSHIJIVOBA-OLMNPRSZSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@H](C2CC2)C1)N1CC[C@H](C2CC2)C1 ZINC000491242812 542717262 /nfs/dbraw/zinc/71/72/62/542717262.db2.gz IWDRQSHIJIVOBA-OLMNPRSZSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@H](C2CC2)C1)N1CC[C@H](C2CC2)C1 ZINC000491242812 542717268 /nfs/dbraw/zinc/71/72/68/542717268.db2.gz IWDRQSHIJIVOBA-OLMNPRSZSA-N 1 3 276.468 3.229 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2c(Cl)cccc2Cl)C1 ZINC000517176713 542736599 /nfs/dbraw/zinc/73/65/99/542736599.db2.gz QEFIUSWNDADKFX-WDEREUQCSA-N 1 3 287.234 3.395 20 0 CGADHO CC(C)(C)c1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000232508473 393026823 /nfs/dbraw/zinc/02/68/23/393026823.db2.gz VPAPXXDHURGJFT-QGZVFWFLSA-N 1 3 260.425 3.155 20 0 CGADHO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(CN)C2)cc1 ZINC000232508473 393026828 /nfs/dbraw/zinc/02/68/28/393026828.db2.gz VPAPXXDHURGJFT-QGZVFWFLSA-N 1 3 260.425 3.155 20 0 CGADHO CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(CN)C2)cc1 ZINC000232508473 393026835 /nfs/dbraw/zinc/02/68/35/393026835.db2.gz VPAPXXDHURGJFT-QGZVFWFLSA-N 1 3 260.425 3.155 20 0 CGADHO CC(C)(C)c1nc(CNC[C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000415002032 393088198 /nfs/dbraw/zinc/08/81/98/393088198.db2.gz VNKUDFQKTXTRBM-RYUDHWBXSA-N 1 3 281.469 3.048 20 0 CGADHO C[C@H](CC1CC1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415010500 393093922 /nfs/dbraw/zinc/09/39/22/393093922.db2.gz UZCSHYVPKOXFRP-RPVQJOFSSA-N 1 3 290.426 3.297 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000415012614 393095388 /nfs/dbraw/zinc/09/53/88/393095388.db2.gz SVNBYGIIYYKDPR-GHMZBOCLSA-N 1 3 278.396 3.380 20 0 CGADHO C[C@H](CCc1cccc(C(F)(F)F)c1)N[C@H](C)[C@H](C)[NH3+] ZINC000415015318 393096767 /nfs/dbraw/zinc/09/67/67/393096767.db2.gz MSCBLVKJXYPLKV-GRYCIOLGSA-N 1 3 288.357 3.352 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2ccc(Cl)cc2F)CC1 ZINC000415019152 393098341 /nfs/dbraw/zinc/09/83/41/393098341.db2.gz DHOBMQSLFLDDNY-HAQNSBGRSA-N 1 3 284.806 3.334 20 0 CGADHO C[C@@H](Cc1ccccc1)CN(C)CCC[NH+]1CCCC1 ZINC000467514303 393104109 /nfs/dbraw/zinc/10/41/09/393104109.db2.gz PZCDETDKBOVTEX-KRWDZBQOSA-N 1 3 274.452 3.283 20 0 CGADHO Cc1cc(F)c(CN[C@@H]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000415030794 393105254 /nfs/dbraw/zinc/10/52/54/393105254.db2.gz GHVYCBJKXOEXTE-WDEREUQCSA-N 1 3 270.779 3.005 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692204 393052619 /nfs/dbraw/zinc/05/26/19/393052619.db2.gz KJBYCBFNRNBWEU-CHWSQXEVSA-N 1 3 278.827 3.086 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1 ZINC000414845420 393056627 /nfs/dbraw/zinc/05/66/27/393056627.db2.gz DJRIKLZJBNMRMB-MAUKXSAKSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)c1ccc(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414845420 393056633 /nfs/dbraw/zinc/05/66/33/393056633.db2.gz DJRIKLZJBNMRMB-MAUKXSAKSA-N 1 3 274.452 3.330 20 0 CGADHO CCCC1CCC(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC000414927909 393058524 /nfs/dbraw/zinc/05/85/24/393058524.db2.gz AKTMVQKOKXFJCM-SLTXQBBLSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000347927611 393110240 /nfs/dbraw/zinc/11/02/40/393110240.db2.gz IAWRMPSAHXQYCX-NWDGAFQWSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648585353 393114194 /nfs/dbraw/zinc/11/41/94/393114194.db2.gz BBBWITRTGKWUSV-VQIMIIECSA-N 1 3 286.463 3.254 20 0 CGADHO C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)C[C@@]1(C)C[NH3+] ZINC000415055205 393117778 /nfs/dbraw/zinc/11/77/78/393117778.db2.gz NLFAOZXYWATHMH-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@@]1(C)CN ZINC000415055205 393117789 /nfs/dbraw/zinc/11/77/89/393117789.db2.gz NLFAOZXYWATHMH-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@@]1(C)CN ZINC000415055205 393117799 /nfs/dbraw/zinc/11/77/99/393117799.db2.gz NLFAOZXYWATHMH-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO Cc1nc(C)c(CN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000415060404 393121599 /nfs/dbraw/zinc/12/15/99/393121599.db2.gz WQKHJLUXQZWKLZ-OAHLLOKOSA-N 1 3 289.448 3.330 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000415067733 393125941 /nfs/dbraw/zinc/12/59/41/393125941.db2.gz LGQOXOZCHGKWPJ-ZWKOTPCHSA-N 1 3 272.436 3.229 20 0 CGADHO Fc1cccc(Cl)c1CCC[NH2+]CCCNC1CC1 ZINC000415070988 393128770 /nfs/dbraw/zinc/12/87/70/393128770.db2.gz RYPCLFPAVKSFQP-UHFFFAOYSA-N 1 3 284.806 3.143 20 0 CGADHO Fc1cccc(Cl)c1CCCNCCC[NH2+]C1CC1 ZINC000415070988 393128774 /nfs/dbraw/zinc/12/87/74/393128774.db2.gz RYPCLFPAVKSFQP-UHFFFAOYSA-N 1 3 284.806 3.143 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCCNC1 ZINC000415073200 393129810 /nfs/dbraw/zinc/12/98/10/393129810.db2.gz NFJOKTAAJQTTRP-DOMZBBRYSA-N 1 3 266.816 3.003 20 0 CGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000415081512 393134304 /nfs/dbraw/zinc/13/43/04/393134304.db2.gz KORLLYMGVUJNAG-AGIUHOORSA-N 1 3 252.427 3.177 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)c1cccs1 ZINC000415081512 393134309 /nfs/dbraw/zinc/13/43/09/393134309.db2.gz KORLLYMGVUJNAG-AGIUHOORSA-N 1 3 252.427 3.177 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000415087038 393138455 /nfs/dbraw/zinc/13/84/55/393138455.db2.gz KHCHAXXZBYKCBV-OTWHNJEPSA-N 1 3 286.463 3.356 20 0 CGADHO C[C@@]1(CNCCc2cc(Cl)cc(Cl)c2)CC[NH2+]C1 ZINC000415089317 393140467 /nfs/dbraw/zinc/14/04/67/393140467.db2.gz WENRUFCHEYWHMQ-AWEZNQCLSA-N 1 3 287.234 3.125 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](C)c1ccc(F)cc1F ZINC000415116715 393149118 /nfs/dbraw/zinc/14/91/18/393149118.db2.gz VCBGIQOTURVEIO-OUCADQQQSA-N 1 3 282.378 3.189 20 0 CGADHO C[C@@]1(CN2C[C@@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124123 393151245 /nfs/dbraw/zinc/15/12/45/393151245.db2.gz NXLDSDJAFLQTNJ-ZWKOTPCHSA-N 1 3 284.447 3.256 20 0 CGADHO CCC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471835233 393315241 /nfs/dbraw/zinc/31/52/41/393315241.db2.gz UXCXKTIFHYOXRP-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO CCC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471835233 393315248 /nfs/dbraw/zinc/31/52/48/393315248.db2.gz UXCXKTIFHYOXRP-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H](CC[NH2+]C1CCC(F)(F)CC1)N1CCCCC1 ZINC000647200873 393383689 /nfs/dbraw/zinc/38/36/89/393383689.db2.gz KQQCDJZDNALBBQ-ZDUSSCGKSA-N 1 3 274.399 3.418 20 0 CGADHO CC[N@H+](C[C@H]1CCCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000420315907 393460737 /nfs/dbraw/zinc/46/07/37/393460737.db2.gz SEZLIBACCQMHRR-KBPBESRZSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@H]1CCCC(F)(F)C1)[C@H]1CCCNCC1 ZINC000420315907 393460742 /nfs/dbraw/zinc/46/07/42/393460742.db2.gz SEZLIBACCQMHRR-KBPBESRZSA-N 1 3 274.399 3.276 20 0 CGADHO CCc1nc(C)c([C@@H](C)N(C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420316811 393464228 /nfs/dbraw/zinc/46/42/28/393464228.db2.gz MJOFPHIOCWGNGZ-OLZOCXBDSA-N 1 3 281.469 3.006 20 0 CGADHO Cc1cc(C)cc(OCCC[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000420361790 393474399 /nfs/dbraw/zinc/47/43/99/393474399.db2.gz MSWFWLCDASELMC-KRWDZBQOSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cc(C)cc(OCCCN[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420361790 393474404 /nfs/dbraw/zinc/47/44/04/393474404.db2.gz MSWFWLCDASELMC-KRWDZBQOSA-N 1 3 290.451 3.050 20 0 CGADHO C[C@H](NCCc1ccc(C2CCCCC2)cc1)C1C[NH2+]C1 ZINC000665235836 542799519 /nfs/dbraw/zinc/79/95/19/542799519.db2.gz ATCNOAZNJDYUOR-HNNXBMFYSA-N 1 3 286.463 3.474 20 0 CGADHO C[C@H]([NH2+]CCc1ccc(C2CCCCC2)cc1)C1CNC1 ZINC000665235836 542799524 /nfs/dbraw/zinc/79/95/24/542799524.db2.gz ATCNOAZNJDYUOR-HNNXBMFYSA-N 1 3 286.463 3.474 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@H]1CCCC[NH2+]1)CC3 ZINC000666769670 542814946 /nfs/dbraw/zinc/81/49/46/542814946.db2.gz AJJGADKMCNOIJT-LSDHHAIUSA-N 1 3 297.446 3.065 20 0 CGADHO Fc1cccc(Cl)c1CCCN[C@H]1CCC[NH2+]CC1 ZINC000666857719 542821641 /nfs/dbraw/zinc/82/16/41/542821641.db2.gz GPMKXLBKJXETMC-LBPRGKRZSA-N 1 3 284.806 3.143 20 0 CGADHO Fc1cccc(Cl)c1CCC[NH2+][C@H]1CCCNCC1 ZINC000666857719 542821646 /nfs/dbraw/zinc/82/16/46/542821646.db2.gz GPMKXLBKJXETMC-LBPRGKRZSA-N 1 3 284.806 3.143 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccc2ccccc2c1 ZINC000430584358 393578581 /nfs/dbraw/zinc/57/85/81/393578581.db2.gz OFBRRWFWPBZYQC-GOSISDBHSA-N 1 3 286.419 3.182 20 0 CGADHO [NH3+]C[C@@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430604039 393581061 /nfs/dbraw/zinc/58/10/61/393581061.db2.gz LPXOTJNXGOAEPT-INIZCTEOSA-N 1 3 268.404 3.053 20 0 CGADHO NC[C@@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430604039 393581068 /nfs/dbraw/zinc/58/10/68/393581068.db2.gz LPXOTJNXGOAEPT-INIZCTEOSA-N 1 3 268.404 3.053 20 0 CGADHO NC[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430604039 393581073 /nfs/dbraw/zinc/58/10/73/393581073.db2.gz LPXOTJNXGOAEPT-INIZCTEOSA-N 1 3 268.404 3.053 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000491324976 393680561 /nfs/dbraw/zinc/68/05/61/393680561.db2.gz YDFLWNZUVLTIDK-KDOFPFPSSA-N 1 3 272.436 3.138 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000491324976 393680563 /nfs/dbraw/zinc/68/05/63/393680563.db2.gz YDFLWNZUVLTIDK-KDOFPFPSSA-N 1 3 272.436 3.138 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000422894479 393645866 /nfs/dbraw/zinc/64/58/66/393645866.db2.gz CKFGLEWMIREGGH-OTRWWLKZSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422907548 393646343 /nfs/dbraw/zinc/64/63/43/393646343.db2.gz LOQXHTUGQWSMPZ-STQMWFEESA-N 1 3 280.843 3.477 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422907548 393646350 /nfs/dbraw/zinc/64/63/50/393646350.db2.gz LOQXHTUGQWSMPZ-STQMWFEESA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423048254 393648826 /nfs/dbraw/zinc/64/88/26/393648826.db2.gz WJSRSORMOODETR-DTTOXWODSA-N 1 3 288.435 3.315 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2cccc(F)c2F)CCCC1 ZINC000423081833 393650809 /nfs/dbraw/zinc/65/08/09/393650809.db2.gz VRZIGXYRNYIFAC-OLZOCXBDSA-N 1 3 296.405 3.492 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000423151508 393652425 /nfs/dbraw/zinc/65/24/25/393652425.db2.gz CLIJTONDTHNUKN-XJNFMUPTSA-N 1 3 260.425 3.286 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(OC)cc1 ZINC000423178091 393653196 /nfs/dbraw/zinc/65/31/96/393653196.db2.gz JZIMMMKBMSQUSX-MRXNPFEDSA-N 1 3 276.424 3.398 20 0 CGADHO CC(C)(N)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423281791 393658677 /nfs/dbraw/zinc/65/86/77/393658677.db2.gz BTCWKMHNDRQKDN-HNNXBMFYSA-N 1 3 264.388 3.384 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423434617 393666508 /nfs/dbraw/zinc/66/65/08/393666508.db2.gz DBTNTEXKJQSXCW-YVZVNANGSA-N 1 3 273.207 3.306 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423521685 393671909 /nfs/dbraw/zinc/67/19/09/393671909.db2.gz GMDJQGCAIWGTDI-BWZWCVMUSA-N 1 3 276.468 3.308 20 0 CGADHO CC1CCC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC1 ZINC000423527692 393672400 /nfs/dbraw/zinc/67/24/00/393672400.db2.gz NEZYVVVCMJJBRJ-UHFFFAOYSA-N 1 3 276.468 3.308 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)NCCC[NH+](C)C ZINC000491411523 393687005 /nfs/dbraw/zinc/68/70/05/393687005.db2.gz XXEJQHJAWZNIRI-MRXNPFEDSA-N 1 3 280.481 3.345 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H](C)c1ccccc1 ZINC000666995273 542832687 /nfs/dbraw/zinc/83/26/87/542832687.db2.gz JEZACYGXULZATB-VYDXJSESSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993862 542832728 /nfs/dbraw/zinc/83/27/28/542832728.db2.gz PCIIPYHLTCXTBX-ZFWWWQNUSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993862 542832730 /nfs/dbraw/zinc/83/27/30/542832730.db2.gz PCIIPYHLTCXTBX-ZFWWWQNUSA-N 1 3 276.399 3.021 20 0 CGADHO CCCc1cccc(C[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000666995559 542833315 /nfs/dbraw/zinc/83/33/15/542833315.db2.gz RHQAKFGBUXLRIQ-KRWDZBQOSA-N 1 3 272.436 3.403 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450473447 393997866 /nfs/dbraw/zinc/99/78/66/393997866.db2.gz NOWYAHBNVGCPMV-INIZCTEOSA-N 1 3 250.430 3.151 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450473447 393997869 /nfs/dbraw/zinc/99/78/69/393997869.db2.gz NOWYAHBNVGCPMV-INIZCTEOSA-N 1 3 250.430 3.151 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCC2=CCCCC2)C1 ZINC000450473447 393997872 /nfs/dbraw/zinc/99/78/72/393997872.db2.gz NOWYAHBNVGCPMV-INIZCTEOSA-N 1 3 250.430 3.151 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCC2=CCCCC2)C1 ZINC000450473447 393997875 /nfs/dbraw/zinc/99/78/75/393997875.db2.gz NOWYAHBNVGCPMV-INIZCTEOSA-N 1 3 250.430 3.151 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccncc1 ZINC000453068429 394160614 /nfs/dbraw/zinc/16/06/14/394160614.db2.gz AHGPSCWYNMANBN-NVXWUHKLSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](CC[NH2+][C@H](C1CC1)C1CCC1)N1CCCCC1 ZINC000453189211 394200087 /nfs/dbraw/zinc/20/00/87/394200087.db2.gz CNRCXFWYTNAUOE-PBHICJAKSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCOCC2CCCC2)CC1 ZINC000453388706 394227752 /nfs/dbraw/zinc/22/77/52/394227752.db2.gz FVOXTENLXNTFIV-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1(C2CCC2)CCC1 ZINC000453395455 394231364 /nfs/dbraw/zinc/23/13/64/394231364.db2.gz JUEHZLLZNJLTJJ-HOTGVXAUSA-N 1 3 262.441 3.173 20 0 CGADHO Cc1cccc2[nH]c(CN3CCC(C[NH+](C)C)CC3)cc21 ZINC000667501996 542880146 /nfs/dbraw/zinc/88/01/46/542880146.db2.gz QKPIKZHIYBNNKL-UHFFFAOYSA-N 1 3 285.435 3.250 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000550621113 289079115 /nfs/dbraw/zinc/07/91/15/289079115.db2.gz CLKWRFZJIMSLMC-CVEARBPZSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)C(C)(C)C ZINC000670265734 543148064 /nfs/dbraw/zinc/14/80/64/543148064.db2.gz ZIZYOUULFOXRKA-QLFBSQMISA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)C(C)(C)C ZINC000670265734 543148066 /nfs/dbraw/zinc/14/80/66/543148066.db2.gz ZIZYOUULFOXRKA-QLFBSQMISA-N 1 3 252.446 3.085 20 0 CGADHO COC1(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CCC1 ZINC000339085119 292108674 /nfs/dbraw/zinc/10/86/74/292108674.db2.gz PBYXMZDRWHOLEY-HZPDHXFCSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc(C[C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000262097159 292111234 /nfs/dbraw/zinc/11/12/34/292111234.db2.gz VICGYWKGQYJYJQ-QZTJIDSGSA-N 1 3 272.436 3.002 20 0 CGADHO COC1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000361551231 292111289 /nfs/dbraw/zinc/11/12/89/292111289.db2.gz IQXIMINSXJOZRW-KRWDZBQOSA-N 1 3 294.483 3.286 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1cccc(OCCN(C)C)c1 ZINC000164294162 397659048 /nfs/dbraw/zinc/65/90/48/397659048.db2.gz NULRTWXXYHAMLA-LSDHHAIUSA-N 1 3 290.451 3.466 20 0 CGADHO C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679390 397675337 /nfs/dbraw/zinc/67/53/37/397675337.db2.gz OPGVLVAVLUWFCT-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H]1CCC[N@H+](CCCCOc2ccccc2)[C@H]1CCN ZINC000650711861 397898838 /nfs/dbraw/zinc/89/88/38/397898838.db2.gz GQSQEHVVZVTZLG-WMZOPIPTSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@H]1CCN ZINC000650711861 397898840 /nfs/dbraw/zinc/89/88/40/397898840.db2.gz GQSQEHVVZVTZLG-WMZOPIPTSA-N 1 3 290.451 3.295 20 0 CGADHO Fc1ccccc1C[C@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000650715031 397900076 /nfs/dbraw/zinc/90/00/76/397900076.db2.gz MAQRULJHHNRXCE-NVXWUHKLSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc2ccsc21 ZINC000650740695 397904510 /nfs/dbraw/zinc/90/45/10/397904510.db2.gz OKGCWCPHDFUJEM-SWLSCSKDSA-N 1 3 274.433 3.379 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2ccccc21 ZINC000650759230 397911155 /nfs/dbraw/zinc/91/11/55/397911155.db2.gz HAHFQIXZCOWEHC-SFHVURJKSA-N 1 3 266.388 3.183 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000675783685 543364669 /nfs/dbraw/zinc/36/46/69/543364669.db2.gz PTADDZNTHUOHTG-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000677242032 543441498 /nfs/dbraw/zinc/44/14/98/543441498.db2.gz WKZHHZNAAVMXAS-IRXDYDNUSA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000677242032 543441500 /nfs/dbraw/zinc/44/15/00/543441500.db2.gz WKZHHZNAAVMXAS-IRXDYDNUSA-N 1 3 290.426 3.320 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000372061092 286011366 /nfs/dbraw/zinc/01/13/66/286011366.db2.gz NZJRFNNHHHERPO-KBAYOESNSA-N 1 3 296.499 3.290 20 0 CGADHO C[NH+](C)C1CCN(C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000678152934 543489047 /nfs/dbraw/zinc/48/90/47/543489047.db2.gz GSUAHQNJQRCSGZ-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@H]1c2ccccc2CCN1CC[C@H]1CCC[N@@H+]1C ZINC000678077541 543481582 /nfs/dbraw/zinc/48/15/82/543481582.db2.gz UQZBGHKKPSVCRD-AEFFLSMTSA-N 1 3 272.436 3.480 20 0 CGADHO CC[C@H]1c2ccccc2CCN1CC[C@H]1CCC[N@H+]1C ZINC000678077541 543481584 /nfs/dbraw/zinc/48/15/84/543481584.db2.gz UQZBGHKKPSVCRD-AEFFLSMTSA-N 1 3 272.436 3.480 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000279705630 286024487 /nfs/dbraw/zinc/02/44/87/286024487.db2.gz JXRDYZFOXYLNQY-BQFCYCMXSA-N 1 3 290.451 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338420 543516086 /nfs/dbraw/zinc/51/60/86/543516086.db2.gz CNDNEMWNCRXXOR-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338420 543516087 /nfs/dbraw/zinc/51/60/87/543516087.db2.gz CNDNEMWNCRXXOR-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[C@@H](C)N3CCCCC3)C[C@H]2C1 ZINC000424282613 286115205 /nfs/dbraw/zinc/11/52/05/286115205.db2.gz QTLCFRMGGDCUMH-ZBRFXRBCSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CC[NH2+][C@H](C)C2)C2CC2)cc1 ZINC000423373297 292261090 /nfs/dbraw/zinc/26/10/90/292261090.db2.gz JDMPZERSZUNKGI-COXVUDFISA-N 1 3 258.409 3.176 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@H]2CCN[C@H](C)C2)C2CC2)cc1 ZINC000423373297 292261091 /nfs/dbraw/zinc/26/10/91/292261091.db2.gz JDMPZERSZUNKGI-COXVUDFISA-N 1 3 258.409 3.176 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)cc1C ZINC000262115690 292267336 /nfs/dbraw/zinc/26/73/36/292267336.db2.gz WWBLFDSBXPZZNY-MSOLQXFVSA-N 1 3 272.436 3.440 20 0 CGADHO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000423219226 286369705 /nfs/dbraw/zinc/36/97/05/286369705.db2.gz SXRUMACKFUKICL-SOUVJXGZSA-N 1 3 276.424 3.042 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](c1ccco1)c1ccccc1 ZINC000336814722 298400125 /nfs/dbraw/zinc/40/01/25/298400125.db2.gz GIHHKWPEQXEVGD-CJNGLKHVSA-N 1 3 258.365 3.086 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CCCCC1 ZINC000062078666 286960057 /nfs/dbraw/zinc/96/00/57/286960057.db2.gz IYWPXJZAYJPPJO-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1CCCC[C@H]1C ZINC000423324205 287034259 /nfs/dbraw/zinc/03/42/59/287034259.db2.gz AVHOPQQAEGBOIU-WCVJEAGWSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000502022764 287037830 /nfs/dbraw/zinc/03/78/30/287037830.db2.gz ZZSYVEPYXPJBON-UGUYLWEFSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cc[nH]c2)CC1 ZINC000086254373 165179713 /nfs/dbraw/zinc/17/97/13/165179713.db2.gz QVCYSILJMKSGKR-HNNXBMFYSA-N 1 3 283.419 3.330 20 0 CGADHO C[C@H]1C[C@@H](NCc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256639 165180550 /nfs/dbraw/zinc/18/05/50/165180550.db2.gz RHGHJDFJOXNQNZ-YJBOKZPZSA-N 1 3 283.419 3.157 20 0 CGADHO C[C@H]1C[C@@H](NCc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256639 165180554 /nfs/dbraw/zinc/18/05/54/165180554.db2.gz RHGHJDFJOXNQNZ-YJBOKZPZSA-N 1 3 283.419 3.157 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccccc1 ZINC000093495973 165328849 /nfs/dbraw/zinc/32/88/49/165328849.db2.gz MTKFCGMSQJELIS-RDJZCZTQSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@H]([NH2+]CCCN(C)C1CCCCC1)[C@H]1CCOC1 ZINC000120777825 287187305 /nfs/dbraw/zinc/18/73/05/287187305.db2.gz JEXHBMQQHLFJPT-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000121205124 287194472 /nfs/dbraw/zinc/19/44/72/287194472.db2.gz FFUNKEJNXNFPHH-DOTOQJQBSA-N 1 3 260.425 3.042 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121205124 287194474 /nfs/dbraw/zinc/19/44/74/287194474.db2.gz FFUNKEJNXNFPHH-DOTOQJQBSA-N 1 3 260.425 3.042 20 0 CGADHO C[NH+](C)CCCC1CCN(CCOc2ccccc2)CC1 ZINC000123114973 287216030 /nfs/dbraw/zinc/21/60/30/287216030.db2.gz RTHDOSTYALJOTM-UHFFFAOYSA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284256639 196014224 /nfs/dbraw/zinc/01/42/24/196014224.db2.gz GAZIAQPCZGJLLX-HNNXBMFYSA-N 1 3 290.451 3.294 20 0 CGADHO CCc1ccccc1CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285646330 196354672 /nfs/dbraw/zinc/35/46/72/196354672.db2.gz YBMRMQKVKNGFQF-DFNIBXOVSA-N 1 3 286.463 3.349 20 0 CGADHO CCc1ccccc1CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285646330 196354673 /nfs/dbraw/zinc/35/46/73/196354673.db2.gz YBMRMQKVKNGFQF-DFNIBXOVSA-N 1 3 286.463 3.349 20 0 CGADHO CC1CCC(CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000127781687 287295916 /nfs/dbraw/zinc/29/59/16/287295916.db2.gz WASFHNZXLUGCQE-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO CC1CCC(C[NH+]2CCC(N3CCCC3)CC2)CC1 ZINC000127781687 287295921 /nfs/dbraw/zinc/29/59/21/287295921.db2.gz WASFHNZXLUGCQE-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO NC[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000044539864 175201195 /nfs/dbraw/zinc/20/11/95/175201195.db2.gz PGGPXZWRCQDYTN-QGZVFWFLSA-N 1 3 254.377 3.153 20 0 CGADHO NC[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000044539864 175201196 /nfs/dbraw/zinc/20/11/96/175201196.db2.gz PGGPXZWRCQDYTN-QGZVFWFLSA-N 1 3 254.377 3.153 20 0 CGADHO CCC1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000127992575 287300888 /nfs/dbraw/zinc/30/08/88/287300888.db2.gz NJJKBNRWZKDJIR-BHUNQDJPSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[N@H+](CC1CCCCC1)C[C@H]1CCCNC1 ZINC000226436991 416522053 /nfs/dbraw/zinc/52/20/53/416522053.db2.gz JDADURAMPAQKGL-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO CCC[N@@H+](CC1CCCCC1)C[C@H]1CCCNC1 ZINC000226436991 416522057 /nfs/dbraw/zinc/52/20/57/416522057.db2.gz JDADURAMPAQKGL-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000400174461 416544736 /nfs/dbraw/zinc/54/47/36/416544736.db2.gz OYRWNITZXFXWHD-SWHNLWLKSA-N 1 3 262.441 3.029 20 0 CGADHO Cc1ccc(F)cc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404403295 416553525 /nfs/dbraw/zinc/55/35/25/416553525.db2.gz SOFIWBUKWJYHNF-CJNGLKHVSA-N 1 3 264.388 3.083 20 0 CGADHO C[C@@H]1CCCN(C/C=C\c2ccccc2)[C@H]1CC[NH3+] ZINC000404395418 416554644 /nfs/dbraw/zinc/55/46/44/416554644.db2.gz OFFQBWJDFHFRPD-MIUTZJKYSA-N 1 3 258.409 3.149 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000122064281 416504318 /nfs/dbraw/zinc/50/43/18/416504318.db2.gz GJTUWMCTIOIEJT-ULQDDVLXSA-N 1 3 294.483 3.043 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000130252309 287349087 /nfs/dbraw/zinc/34/90/87/287349087.db2.gz YXOKYHCBHWKZMW-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000130215874 287347445 /nfs/dbraw/zinc/34/74/45/287347445.db2.gz VWWYOBPQKZLHPE-MWDXBVQZSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]([NH2+]CCCOC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000680401014 543708599 /nfs/dbraw/zinc/70/85/99/543708599.db2.gz ANUKUVAQHXQANC-CVEARBPZSA-N 1 3 296.499 3.434 20 0 CGADHO Oc1ccc([C@H]2CCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC000682028666 543817321 /nfs/dbraw/zinc/81/73/21/543817321.db2.gz AQUQEXHPNMDUAR-GOSISDBHSA-N 1 3 288.435 3.405 20 0 CGADHO Oc1ccc([C@H]2CCC[N@H+]2CCCN2CCCCC2)cc1 ZINC000682028666 543817322 /nfs/dbraw/zinc/81/73/22/543817322.db2.gz AQUQEXHPNMDUAR-GOSISDBHSA-N 1 3 288.435 3.405 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc3cnccc32)CC1 ZINC000683357911 543910469 /nfs/dbraw/zinc/91/04/69/543910469.db2.gz UKRCLVWSNPWTGE-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC000683357911 543910472 /nfs/dbraw/zinc/91/04/72/543910472.db2.gz UKRCLVWSNPWTGE-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)CC1 ZINC000683789058 543943055 /nfs/dbraw/zinc/94/30/55/543943055.db2.gz WDNFWZLBAPMVOP-WBVHZDCISA-N 1 3 258.409 3.090 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)CC1 ZINC000683789058 543943057 /nfs/dbraw/zinc/94/30/57/543943057.db2.gz WDNFWZLBAPMVOP-WBVHZDCISA-N 1 3 258.409 3.090 20 0 CGADHO C[NH+](C)[C@@H]1CCCN([C@H]2CCc3ccccc32)CC1 ZINC000683789058 543943059 /nfs/dbraw/zinc/94/30/59/543943059.db2.gz WDNFWZLBAPMVOP-WBVHZDCISA-N 1 3 258.409 3.090 20 0 CGADHO CC1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000683829372 543944921 /nfs/dbraw/zinc/94/49/21/543944921.db2.gz BIGINBRFZLPAFA-MRXNPFEDSA-N 1 3 264.457 3.375 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3cnccc3c2)CC1 ZINC000683839202 543947522 /nfs/dbraw/zinc/94/75/22/543947522.db2.gz RJVLMEBOKLLGBQ-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2ccc3cnccc3c2)CC1 ZINC000683839202 543947523 /nfs/dbraw/zinc/94/75/23/543947523.db2.gz RJVLMEBOKLLGBQ-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684426968 543999672 /nfs/dbraw/zinc/99/96/72/543999672.db2.gz XUWZPVKYRBFHIA-NVXWUHKLSA-N 1 3 290.451 3.153 20 0 CGADHO CC(C)C1CCC(CN2CCC([NH+](C)C)CC2)CC1 ZINC000685410721 544065745 /nfs/dbraw/zinc/06/57/45/544065745.db2.gz FKKXMTMYVREJGL-UHFFFAOYSA-N 1 3 266.473 3.475 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470836 544078478 /nfs/dbraw/zinc/07/84/78/544078478.db2.gz VBDQRDPAEMSPLC-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470836 544078480 /nfs/dbraw/zinc/07/84/80/544078480.db2.gz VBDQRDPAEMSPLC-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470836 544078483 /nfs/dbraw/zinc/07/84/83/544078483.db2.gz VBDQRDPAEMSPLC-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470836 544078485 /nfs/dbraw/zinc/07/84/85/544078485.db2.gz VBDQRDPAEMSPLC-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO C[C@H](NCC1CC[NH+](CC2CC2)CC1)c1ccoc1 ZINC000658354621 418948096 /nfs/dbraw/zinc/94/80/96/418948096.db2.gz DTIZDAROOOUWHN-ZDUSSCGKSA-N 1 3 262.397 3.052 20 0 CGADHO C[N@H+](CCCc1ccccc1)Cc1ccc2c(c1)CNCC2 ZINC000652337046 418954299 /nfs/dbraw/zinc/95/42/99/418954299.db2.gz CSAVOQVNJUGDTJ-UHFFFAOYSA-N 1 3 294.442 3.397 20 0 CGADHO C[N@@H+](CCCc1ccccc1)Cc1ccc2c(c1)CNCC2 ZINC000652337046 418954302 /nfs/dbraw/zinc/95/43/02/418954302.db2.gz CSAVOQVNJUGDTJ-UHFFFAOYSA-N 1 3 294.442 3.397 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653565599 419049684 /nfs/dbraw/zinc/04/96/84/419049684.db2.gz VAXQQEHTGOGXPL-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653565599 419049692 /nfs/dbraw/zinc/04/96/92/419049692.db2.gz VAXQQEHTGOGXPL-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO C(CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659945147 419042396 /nfs/dbraw/zinc/04/23/96/419042396.db2.gz SIEUBDITDSISOK-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N)CCCC1 ZINC000665248564 419091890 /nfs/dbraw/zinc/09/18/90/419091890.db2.gz ZELKCJLOABRORK-ZFWWWQNUSA-N 1 3 258.409 3.404 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCCC1)CCC2 ZINC000665248578 419092329 /nfs/dbraw/zinc/09/23/29/419092329.db2.gz ZLOLWCDBFBXKIU-INIZCTEOSA-N 1 3 258.409 3.234 20 0 CGADHO CC1(C)C[C@]1(C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665275098 419098099 /nfs/dbraw/zinc/09/80/99/419098099.db2.gz BWNKXVBXKIQDIM-FHLIZLRMSA-N 1 3 286.419 3.021 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665273658 419098251 /nfs/dbraw/zinc/09/82/51/419098251.db2.gz AXYHSLMLXXLIOY-QBPKDAKJSA-N 1 3 258.409 3.182 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC)c(OC)c1 ZINC000665279626 419100820 /nfs/dbraw/zinc/10/08/20/419100820.db2.gz HTTUFPRRKCZHAU-CABCVRRESA-N 1 3 294.439 3.118 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2NCC[C@@H]([NH3+])C(C)C ZINC000665279893 419101166 /nfs/dbraw/zinc/10/11/66/419101166.db2.gz OMVFDFWLJNZRHU-SJORKVTESA-N 1 3 276.424 3.036 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000665283178 419102427 /nfs/dbraw/zinc/10/24/27/419102427.db2.gz IYKROODOWJDZEF-BHDPWAOGSA-N 1 3 250.430 3.205 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283369 419102674 /nfs/dbraw/zinc/10/26/74/419102674.db2.gz MQCBDJCBNDSZGB-XGHPGWEVSA-N 1 3 264.457 3.452 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CCc1ccc(F)cc1F ZINC000665282267 419103556 /nfs/dbraw/zinc/10/35/56/419103556.db2.gz UPWQGYSDIZQKRE-BLLLJJGKSA-N 1 3 284.394 3.249 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000665282267 419103559 /nfs/dbraw/zinc/10/35/59/419103559.db2.gz UPWQGYSDIZQKRE-BLLLJJGKSA-N 1 3 284.394 3.249 20 0 CGADHO COCC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000655818878 419107853 /nfs/dbraw/zinc/10/78/53/419107853.db2.gz VYDFEHXYLFQQOU-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO COCC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000655818878 419107858 /nfs/dbraw/zinc/10/78/58/419107858.db2.gz VYDFEHXYLFQQOU-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO CCC(CC)(CN[C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000665300653 419112582 /nfs/dbraw/zinc/11/25/82/419112582.db2.gz GXAUUFDANXKYCB-ZDUSSCGKSA-N 1 3 278.415 3.081 20 0 CGADHO CCC(CC)(C[NH2+][C@@H](C)C1CNC1)c1ccc(F)cc1 ZINC000665300653 419112586 /nfs/dbraw/zinc/11/25/86/419112586.db2.gz GXAUUFDANXKYCB-ZDUSSCGKSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@@H]([NH2+]CCC1CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660257485 419114071 /nfs/dbraw/zinc/11/40/71/419114071.db2.gz UIGXXRBZOBQZEA-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196684 419148553 /nfs/dbraw/zinc/14/85/53/419148553.db2.gz ACECFHBAPCJEFQ-LSDHHAIUSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196684 419148555 /nfs/dbraw/zinc/14/85/55/419148555.db2.gz ACECFHBAPCJEFQ-LSDHHAIUSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197435 419149015 /nfs/dbraw/zinc/14/90/15/419149015.db2.gz IYQBEMPUHCQLTA-SJORKVTESA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197435 419149016 /nfs/dbraw/zinc/14/90/16/419149016.db2.gz IYQBEMPUHCQLTA-SJORKVTESA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196683 419149066 /nfs/dbraw/zinc/14/90/66/419149066.db2.gz ACECFHBAPCJEFQ-HUUCEWRRSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196683 419149068 /nfs/dbraw/zinc/14/90/68/419149068.db2.gz ACECFHBAPCJEFQ-HUUCEWRRSA-N 1 3 278.827 3.231 20 0 CGADHO CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000656200675 419149945 /nfs/dbraw/zinc/14/99/45/419149945.db2.gz UFBJCGGOXNOTPF-XIRDDKMYSA-N 1 3 290.451 3.123 20 0 CGADHO Nc1cccc(C[NH+]2CCC(NCc3ccccc3)CC2)c1 ZINC000660675724 419180810 /nfs/dbraw/zinc/18/08/10/419180810.db2.gz LJCQYOFQNCFCRX-UHFFFAOYSA-N 1 3 295.430 3.023 20 0 CGADHO C[C@@H](C[NH2+]Cc1cc2ccncc2s1)CN1CCCC1 ZINC000657319151 419249543 /nfs/dbraw/zinc/24/95/43/419249543.db2.gz TWBPAZNGUUKXDI-ZDUSSCGKSA-N 1 3 289.448 3.118 20 0 CGADHO Fc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656787068 419219314 /nfs/dbraw/zinc/21/93/14/419219314.db2.gz ZVKZRRQNVXOVRM-INIZCTEOSA-N 1 3 276.399 3.037 20 0 CGADHO C[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612598 419313621 /nfs/dbraw/zinc/31/36/21/419313621.db2.gz AUDQHUNDLHAIMX-QAPCUYQASA-N 1 3 287.451 3.072 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320790 419390397 /nfs/dbraw/zinc/39/03/97/419390397.db2.gz DREXXFGPHGMIJV-RDJZCZTQSA-N 1 3 264.457 3.278 20 0 CGADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320790 419390402 /nfs/dbraw/zinc/39/04/02/419390402.db2.gz DREXXFGPHGMIJV-RDJZCZTQSA-N 1 3 264.457 3.278 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000657870779 419395782 /nfs/dbraw/zinc/39/57/82/419395782.db2.gz FXUBLEXWEVWMGV-QWHCGFSZSA-N 1 3 276.415 3.376 20 0 CGADHO C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N ZINC000662242516 419368595 /nfs/dbraw/zinc/36/85/95/419368595.db2.gz AMQJNEAXGOQMKL-IDCNUPLLSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N ZINC000662242516 419368600 /nfs/dbraw/zinc/36/86/00/419368600.db2.gz AMQJNEAXGOQMKL-IDCNUPLLSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662242516 419368604 /nfs/dbraw/zinc/36/86/04/419368604.db2.gz AMQJNEAXGOQMKL-IDCNUPLLSA-N 1 3 272.436 3.239 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1N ZINC000662270789 419379799 /nfs/dbraw/zinc/37/97/99/419379799.db2.gz NWZRZZSLLXPWMW-QGPMSJSTSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1N ZINC000662270789 419379807 /nfs/dbraw/zinc/37/98/07/419379807.db2.gz NWZRZZSLLXPWMW-QGPMSJSTSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1CN(CC[C@H]2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000662270789 419379812 /nfs/dbraw/zinc/37/98/12/419379812.db2.gz NWZRZZSLLXPWMW-QGPMSJSTSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3COC(C)(C)C3)CC2)C1 ZINC000658059063 419533091 /nfs/dbraw/zinc/53/30/91/419533091.db2.gz QADADYONJJHKMV-PVAVHDDUSA-N 1 3 294.483 3.187 20 0 CGADHO c1cc2c(cccc2C[NH2+]C[C@H]2CCCN(CC3CC3)C2)[nH]1 ZINC000663345314 419569085 /nfs/dbraw/zinc/56/90/85/419569085.db2.gz IEEIXEOMJKAWKM-MRXNPFEDSA-N 1 3 297.446 3.380 20 0 CGADHO C([NH2+]C1CCCCCC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663347514 419569911 /nfs/dbraw/zinc/56/99/11/419569911.db2.gz MVQNKPLZHIIONH-INIZCTEOSA-N 1 3 264.457 3.421 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000663504517 419640159 /nfs/dbraw/zinc/64/01/59/419640159.db2.gz ZMFBLXMBMGDEGT-VBQJREDUSA-N 1 3 258.409 3.232 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466244 419616467 /nfs/dbraw/zinc/61/64/67/419616467.db2.gz PWRYRHYQUKRUPP-OCCSQVGLSA-N 1 3 292.389 3.429 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCC1 ZINC000663466513 419622881 /nfs/dbraw/zinc/62/28/81/419622881.db2.gz UYAAFGLDXNMZMP-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658163624 419628108 /nfs/dbraw/zinc/62/81/08/419628108.db2.gz QTRWERUWMPDFER-DKIMLUQUSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000658163624 419628116 /nfs/dbraw/zinc/62/81/16/419628116.db2.gz QTRWERUWMPDFER-DKIMLUQUSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000658163626 419628391 /nfs/dbraw/zinc/62/83/91/419628391.db2.gz QTRWERUWMPDFER-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000658163626 419628399 /nfs/dbraw/zinc/62/83/99/419628399.db2.gz QTRWERUWMPDFER-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658179102 419645372 /nfs/dbraw/zinc/64/53/72/419645372.db2.gz LWQQIFJFQQRHJF-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000658179102 419645379 /nfs/dbraw/zinc/64/53/79/419645379.db2.gz LWQQIFJFQQRHJF-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO CN1CCC[C@H]1CC[NH2+]C1(c2ccccc2)CCC1 ZINC000179449383 260048606 /nfs/dbraw/zinc/04/86/06/260048606.db2.gz HRJJIGSWDHRTBE-INIZCTEOSA-N 1 3 258.409 3.140 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000037786298 260117902 /nfs/dbraw/zinc/11/79/02/260117902.db2.gz FFBYFTQOBWKQLT-UHFFFAOYSA-N 1 3 260.425 3.348 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C1(C)C ZINC000085379113 260203226 /nfs/dbraw/zinc/20/32/26/260203226.db2.gz VICQQYUMOPJCEA-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)C1(C)C ZINC000085379113 260203228 /nfs/dbraw/zinc/20/32/28/260203228.db2.gz VICQQYUMOPJCEA-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000085379113 260203229 /nfs/dbraw/zinc/20/32/29/260203229.db2.gz VICQQYUMOPJCEA-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](CC[NH+](C)C)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000468979713 274208555 /nfs/dbraw/zinc/20/85/55/274208555.db2.gz KPYWVAFOBUMDFW-XJKSGUPXSA-N 1 3 260.425 3.339 20 0 CGADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000390231578 262161337 /nfs/dbraw/zinc/16/13/37/262161337.db2.gz HIIAAFPXVGXKFA-BFHYXJOUSA-N 1 3 274.399 3.322 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000390557711 262217159 /nfs/dbraw/zinc/21/71/59/262217159.db2.gz LUTBAPGXLGSVKA-LXTVHRRPSA-N 1 3 286.410 3.322 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997027 270028494 /nfs/dbraw/zinc/02/84/94/270028494.db2.gz OCXXZHFVXSMTEP-LRMJVLKBSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997027 270028495 /nfs/dbraw/zinc/02/84/95/270028495.db2.gz OCXXZHFVXSMTEP-LRMJVLKBSA-N 1 3 284.447 3.457 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535597 270036143 /nfs/dbraw/zinc/03/61/43/270036143.db2.gz VENNCFXHOZABQN-GOEBONIOSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535597 270036144 /nfs/dbraw/zinc/03/61/44/270036144.db2.gz VENNCFXHOZABQN-GOEBONIOSA-N 1 3 260.425 3.241 20 0 CGADHO CC/C=C/CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184578603 270058916 /nfs/dbraw/zinc/05/89/16/270058916.db2.gz NRRYHTGSLDBEFO-CWDCEQMOSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C/CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000184578603 270058918 /nfs/dbraw/zinc/05/89/18/270058918.db2.gz NRRYHTGSLDBEFO-CWDCEQMOSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C/CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000184578603 270058919 /nfs/dbraw/zinc/05/89/19/270058919.db2.gz NRRYHTGSLDBEFO-CWDCEQMOSA-N 1 3 250.430 3.151 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)CN1CCCC1 ZINC000227873002 270087519 /nfs/dbraw/zinc/08/75/19/270087519.db2.gz NMMBVJLAWDSFAU-DJIMGWMZSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1ccsc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000521045482 270100215 /nfs/dbraw/zinc/10/02/15/270100215.db2.gz SQYUKRUFXIKQHW-LBPRGKRZSA-N 1 3 260.406 3.366 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845121 270139247 /nfs/dbraw/zinc/13/92/47/270139247.db2.gz BXDYLXGDPJKNIU-BDJLRTHQSA-N 1 3 296.817 3.398 20 0 CGADHO c1ccc([C@H]([NH2+]CCCN2CCCCC2)C2CCC2)nc1 ZINC000528657362 270169553 /nfs/dbraw/zinc/16/95/53/270169553.db2.gz IMDGTEOATRPZTI-GOSISDBHSA-N 1 3 287.451 3.388 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530215540 270195617 /nfs/dbraw/zinc/19/56/17/270195617.db2.gz HGVVRGHVNZXWGR-LJISPDSOSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215540 270195618 /nfs/dbraw/zinc/19/56/18/270195618.db2.gz HGVVRGHVNZXWGR-LJISPDSOSA-N 1 3 250.430 3.075 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517589 270200703 /nfs/dbraw/zinc/20/07/03/270200703.db2.gz DEGXIAXWMAGFKY-SJORKVTESA-N 1 3 294.483 3.284 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517589 270200704 /nfs/dbraw/zinc/20/07/04/270200704.db2.gz DEGXIAXWMAGFKY-SJORKVTESA-N 1 3 294.483 3.284 20 0 CGADHO CC(C)CCn1cccc1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000531390147 270206140 /nfs/dbraw/zinc/20/61/40/270206140.db2.gz XNXKFZYBVWWMJE-IRXDYDNUSA-N 1 3 291.483 3.497 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000531699335 270208761 /nfs/dbraw/zinc/20/87/61/270208761.db2.gz MGDVXZXHPIUPED-FUHWJXTLSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000531692101 270208947 /nfs/dbraw/zinc/20/89/47/270208947.db2.gz KWEIKUOAYBNAQC-BFYDXBDKSA-N 1 3 266.473 3.379 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000531753200 270209329 /nfs/dbraw/zinc/20/93/29/270209329.db2.gz ZEJZGYJNEDNYRO-BBWFWOEESA-N 1 3 296.499 3.434 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN(C)C)CCS2 ZINC000293364290 274136595 /nfs/dbraw/zinc/13/65/95/274136595.db2.gz HOVJTPVIAFHXDF-SWLSCSKDSA-N 1 3 294.464 3.019 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CN(C)C ZINC000310153942 274224981 /nfs/dbraw/zinc/22/49/81/274224981.db2.gz PUPVHANVHNLLMT-RYUDHWBXSA-N 1 3 254.805 3.188 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000423209219 274884438 /nfs/dbraw/zinc/88/44/38/274884438.db2.gz ILIFIRGUKPQYSZ-CXAGYDPISA-N 1 3 292.854 3.250 20 0 CGADHO c1ccc(C[C@@H](C[NH2+]C2CCNCC2)c2ccccc2)cc1 ZINC000415121628 275067311 /nfs/dbraw/zinc/06/73/11/275067311.db2.gz MZXLFRJHKMGDSA-IBGZPJMESA-N 1 3 294.442 3.355 20 0 CGADHO c1ccc(C[C@@H](CNC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000415121628 275067312 /nfs/dbraw/zinc/06/73/12/275067312.db2.gz MZXLFRJHKMGDSA-IBGZPJMESA-N 1 3 294.442 3.355 20 0 CGADHO c1ccc2c(c1)CCC([NH2+][C@@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000449593445 275069532 /nfs/dbraw/zinc/06/95/32/275069532.db2.gz PETWNJZVDPUOCT-RTBURBONSA-N 1 3 284.447 3.150 20 0 CGADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000437606878 275391607 /nfs/dbraw/zinc/39/16/07/275391607.db2.gz VREFKVZKSZFIMV-MSOLQXFVSA-N 1 3 294.483 3.001 20 0 CGADHO CCCC1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000414918982 275968894 /nfs/dbraw/zinc/96/88/94/275968894.db2.gz VQNGTTAOGYJBFQ-GPANFISMSA-N 1 3 252.446 3.325 20 0 CGADHO CCC[NH+]1CCC(CN[C@H]2CCCc3occc32)CC1 ZINC000192827240 276004161 /nfs/dbraw/zinc/00/41/61/276004161.db2.gz UXZWMNVSWNJAIN-INIZCTEOSA-N 1 3 276.424 3.369 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(C)cc2C)CC1 ZINC000037996444 276151748 /nfs/dbraw/zinc/15/17/48/276151748.db2.gz DVKKAOZQJWVHSA-OAHLLOKOSA-N 1 3 260.425 3.438 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328110 276212195 /nfs/dbraw/zinc/21/21/95/276212195.db2.gz IODIIDLQTLMMKW-GXTWGEPZSA-N 1 3 264.438 3.057 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328110 276212197 /nfs/dbraw/zinc/21/21/97/276212197.db2.gz IODIIDLQTLMMKW-GXTWGEPZSA-N 1 3 264.438 3.057 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328110 276212199 /nfs/dbraw/zinc/21/21/99/276212199.db2.gz IODIIDLQTLMMKW-GXTWGEPZSA-N 1 3 264.438 3.057 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644041 276221702 /nfs/dbraw/zinc/22/17/02/276221702.db2.gz HEJDPAZYIKFLFZ-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644041 276221704 /nfs/dbraw/zinc/22/17/04/276221704.db2.gz HEJDPAZYIKFLFZ-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644041 276221705 /nfs/dbraw/zinc/22/17/05/276221705.db2.gz HEJDPAZYIKFLFZ-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906346 276221811 /nfs/dbraw/zinc/22/18/11/276221811.db2.gz IYGNNWSWQOEUID-TZMCWYRMSA-N 1 3 293.842 3.044 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000429798637 276399638 /nfs/dbraw/zinc/39/96/38/276399638.db2.gz JVCRQPBCGVRUQW-XLAORIBOSA-N 1 3 296.499 3.244 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000429798637 276399639 /nfs/dbraw/zinc/39/96/39/276399639.db2.gz JVCRQPBCGVRUQW-XLAORIBOSA-N 1 3 296.499 3.244 20 0 CGADHO CCc1nc2c(s1)[C@@H]([NH2+]CC1CCN(C)CC1)CCC2 ZINC000126287825 276691509 /nfs/dbraw/zinc/69/15/09/276691509.db2.gz AZJLTCYUIREUPE-ZDUSSCGKSA-N 1 3 293.480 3.014 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1ccccc1 ZINC000246669090 277060694 /nfs/dbraw/zinc/06/06/94/277060694.db2.gz FHLXFZMBOVDLIX-SJORKVTESA-N 1 3 258.409 3.308 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1ccccc1 ZINC000246669090 277060695 /nfs/dbraw/zinc/06/06/95/277060695.db2.gz FHLXFZMBOVDLIX-SJORKVTESA-N 1 3 258.409 3.308 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301829 277061940 /nfs/dbraw/zinc/06/19/40/277061940.db2.gz JKTZWUDDPXWKLT-MRXNPFEDSA-N 1 3 272.436 3.264 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301829 277061941 /nfs/dbraw/zinc/06/19/41/277061941.db2.gz JKTZWUDDPXWKLT-MRXNPFEDSA-N 1 3 272.436 3.264 20 0 CGADHO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000311163061 277132401 /nfs/dbraw/zinc/13/24/01/277132401.db2.gz MWLIJHKXHMSDQD-KBPBESRZSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC(F)(F)C2)CC1 ZINC000336380391 277151973 /nfs/dbraw/zinc/15/19/73/277151973.db2.gz WJGQKMZIBKFFKT-CYBMUJFWSA-N 1 3 274.399 3.417 20 0 CGADHO COC1(C[NH2+]C2CCN(C3CCCC3)CC2)CCCCC1 ZINC000364360171 277187277 /nfs/dbraw/zinc/18/72/77/277187277.db2.gz ITYMTYOFHYAGSJ-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO COC1(CNC2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000364360171 277187278 /nfs/dbraw/zinc/18/72/78/277187278.db2.gz ITYMTYOFHYAGSJ-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO CS[C@@H]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000261573151 278145860 /nfs/dbraw/zinc/14/58/60/278145860.db2.gz UWBIENHBDPPFDP-OJDYBEQGSA-N 1 3 276.449 3.395 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000397250860 288022127 /nfs/dbraw/zinc/02/21/27/288022127.db2.gz DERHPMJCNRKNRY-CPUCHLNUSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000397250860 288022128 /nfs/dbraw/zinc/02/21/28/288022128.db2.gz DERHPMJCNRKNRY-CPUCHLNUSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000397250860 288022129 /nfs/dbraw/zinc/02/21/29/288022129.db2.gz DERHPMJCNRKNRY-CPUCHLNUSA-N 1 3 283.419 3.040 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CC1(C)C ZINC000397561279 288024375 /nfs/dbraw/zinc/02/43/75/288024375.db2.gz ARQIPDMHCQOHSJ-TUVASFSCSA-N 1 3 250.430 3.028 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@H]1CC1(C)C ZINC000397595854 288024623 /nfs/dbraw/zinc/02/46/23/288024623.db2.gz DJOWIGBMBXCHOV-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469792 278257514 /nfs/dbraw/zinc/25/75/14/278257514.db2.gz LSIRANZQIHCTMS-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469792 278257515 /nfs/dbraw/zinc/25/75/15/278257515.db2.gz LSIRANZQIHCTMS-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469792 278257516 /nfs/dbraw/zinc/25/75/16/278257516.db2.gz LSIRANZQIHCTMS-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@H]1CC1(C)C ZINC000397789784 288030803 /nfs/dbraw/zinc/03/08/03/288030803.db2.gz ZDFRYRYNZRBERP-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000397832645 288031860 /nfs/dbraw/zinc/03/18/60/288031860.db2.gz RXHPPUPVAQYOPQ-OWCLPIDISA-N 1 3 250.430 3.243 20 0 CGADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000423468415 278346217 /nfs/dbraw/zinc/34/62/17/278346217.db2.gz BXTLHMQDKWKGSK-OLZOCXBDSA-N 1 3 293.480 3.205 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1Cl ZINC000422703958 278621734 /nfs/dbraw/zinc/62/17/34/278621734.db2.gz JLDGGABTHPKEDF-SWLSCSKDSA-N 1 3 280.843 3.335 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCC12CCOCC2 ZINC000367058817 278782240 /nfs/dbraw/zinc/78/22/40/278782240.db2.gz XZCLUPHNXCCRCY-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000516214294 278960306 /nfs/dbraw/zinc/96/03/06/278960306.db2.gz BAVUMYTZMYYNKS-OAHLLOKOSA-N 1 3 254.462 3.379 20 0 CGADHO CC[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577973 288098386 /nfs/dbraw/zinc/09/83/86/288098386.db2.gz MSYAPMLYVLQGNU-HZPDHXFCSA-N 1 3 287.451 3.466 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354106978 279036867 /nfs/dbraw/zinc/03/68/67/279036867.db2.gz NJTSQWWLXUBKDF-JQHSSLGASA-N 1 3 272.436 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354106978 279036868 /nfs/dbraw/zinc/03/68/68/279036868.db2.gz NJTSQWWLXUBKDF-JQHSSLGASA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354106978 279036869 /nfs/dbraw/zinc/03/68/69/279036869.db2.gz NJTSQWWLXUBKDF-JQHSSLGASA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000354106978 279036870 /nfs/dbraw/zinc/03/68/70/279036870.db2.gz NJTSQWWLXUBKDF-JQHSSLGASA-N 1 3 272.436 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000093770765 279036954 /nfs/dbraw/zinc/03/69/54/279036954.db2.gz WZXRRQDXIYQNDP-GPANFISMSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000093770765 279036955 /nfs/dbraw/zinc/03/69/55/279036955.db2.gz WZXRRQDXIYQNDP-GPANFISMSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000351577755 279122958 /nfs/dbraw/zinc/12/29/58/279122958.db2.gz FVUDUQLYABQCAM-ZWKOTPCHSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1ccncc1 ZINC000351577755 279122962 /nfs/dbraw/zinc/12/29/62/279122962.db2.gz FVUDUQLYABQCAM-ZWKOTPCHSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)[C@@H](C)OC ZINC000128694904 279138947 /nfs/dbraw/zinc/13/89/47/279138947.db2.gz AWKXIFHTRTVBKZ-LSDHHAIUSA-N 1 3 278.440 3.041 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)CC1CCCCC1 ZINC000414965839 279349970 /nfs/dbraw/zinc/34/99/70/279349970.db2.gz WAKCXOGDGZILAH-SQWLQELKSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423048787 279401913 /nfs/dbraw/zinc/40/19/13/279401913.db2.gz ABJXXGOMZJAZNM-GVXVVHGQSA-N 1 3 274.330 3.048 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@H]1CCCNC1 ZINC000516173925 279472519 /nfs/dbraw/zinc/47/25/19/279472519.db2.gz NDTCEZLQQZTNGE-QXSJWSMHSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C[C@@H](C)O1 ZINC000512278718 288160587 /nfs/dbraw/zinc/16/05/87/288160587.db2.gz KLIOIHYBUAHFFH-YYWYGQEZSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000401585428 280261980 /nfs/dbraw/zinc/26/19/80/280261980.db2.gz MQONKJZPRVGMET-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)CC3 ZINC000414956205 281035997 /nfs/dbraw/zinc/03/59/97/281035997.db2.gz UZPDATXWLRQUSH-RRFJBIMHSA-N 1 3 297.446 3.064 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCCC[NH2+]C1)CC3 ZINC000415071704 281036429 /nfs/dbraw/zinc/03/64/29/281036429.db2.gz UIUCQVIXWKAHOD-CABCVRRESA-N 1 3 297.446 3.065 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)CC3 ZINC000414956200 281037245 /nfs/dbraw/zinc/03/72/45/281037245.db2.gz UZPDATXWLRQUSH-KFWWJZLASA-N 1 3 297.446 3.064 20 0 CGADHO CCC1(C)CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530177808 288295396 /nfs/dbraw/zinc/29/53/96/288295396.db2.gz HXDYBHXADQZIBZ-SLTAFYQDSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530179292 288296486 /nfs/dbraw/zinc/29/64/86/288296486.db2.gz SIVGIKGMVISKCN-DOTOQJQBSA-N 1 3 272.436 3.190 20 0 CGADHO Cc1ccc2nccc(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000488717129 281170902 /nfs/dbraw/zinc/17/09/02/281170902.db2.gz KGUIIWNGRLEPFF-SFHVURJKSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1ccc2nccc(N3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000488717129 281170904 /nfs/dbraw/zinc/17/09/04/281170904.db2.gz KGUIIWNGRLEPFF-SFHVURJKSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1ccccc1[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000271323416 281366340 /nfs/dbraw/zinc/36/63/40/281366340.db2.gz UEIWXTNLEFFOEM-IAGOWNOFSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccccc1[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000271323416 281366341 /nfs/dbraw/zinc/36/63/41/281366341.db2.gz UEIWXTNLEFFOEM-IAGOWNOFSA-N 1 3 272.436 3.269 20 0 CGADHO CC[C@H]1C[C@@H](C[N@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525660 288340876 /nfs/dbraw/zinc/34/08/76/288340876.db2.gz HYIYGWLXMWDZPI-IRXDYDNUSA-N 1 3 282.472 3.033 20 0 CGADHO CC[C@H]1C[C@@H](C[N@@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525660 288340879 /nfs/dbraw/zinc/34/08/79/288340879.db2.gz HYIYGWLXMWDZPI-IRXDYDNUSA-N 1 3 282.472 3.033 20 0 CGADHO C[C@@H]1[C@H]([NH2+]C[C@]2(C)CCCNC2)C[C@H]1c1ccccc1 ZINC000414899060 289059885 /nfs/dbraw/zinc/05/98/85/289059885.db2.gz CDFVMIUGFQCHNX-DZOHQFGASA-N 1 3 272.436 3.158 20 0 CGADHO CC1=CC[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000550893417 289089028 /nfs/dbraw/zinc/08/90/28/289089028.db2.gz XHEXADVIXXWOBQ-KRWDZBQOSA-N 1 3 288.435 3.215 20 0 CGADHO CCC1CC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000551778763 289130735 /nfs/dbraw/zinc/13/07/35/289130735.db2.gz IKFJSQQHTHLZPG-JWMHWRSXSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](Cc1ccsc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000552111347 289164336 /nfs/dbraw/zinc/16/43/36/289164336.db2.gz YOIMUVZVIRXQAM-HOCLYGCPSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H](Cc1ccsc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552111347 289164337 /nfs/dbraw/zinc/16/43/37/289164337.db2.gz YOIMUVZVIRXQAM-HOCLYGCPSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000554113026 289260289 /nfs/dbraw/zinc/26/02/89/289260289.db2.gz QWUFDXDSZPYYEE-PAYONLEZSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423219255 289503760 /nfs/dbraw/zinc/50/37/60/289503760.db2.gz SZIHSGSUJJOXAC-RDBSUJKOSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344294493 290336183 /nfs/dbraw/zinc/33/61/83/290336183.db2.gz ITTZFDXHQJUKPO-ZFWWWQNUSA-N 1 3 250.430 3.053 20 0 CGADHO COC[C@@H](CCC[NH3+])N[C@@H](c1ccccc1Cl)C(C)C ZINC000422749572 292805165 /nfs/dbraw/zinc/80/51/65/292805165.db2.gz ZSNIEXKVFAZZAY-CZUORRHYSA-N 1 3 298.858 3.381 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000423070003 293260620 /nfs/dbraw/zinc/26/06/20/293260620.db2.gz BZEXOBDEXDBEDH-CJNGLKHVSA-N 1 3 273.424 3.222 20 0 CGADHO COc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000423219221 295238533 /nfs/dbraw/zinc/23/85/33/295238533.db2.gz SXRUMACKFUKICL-ILXRZTDVSA-N 1 3 276.424 3.042 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423064255 295339010 /nfs/dbraw/zinc/33/90/10/295339010.db2.gz YPSVFYXBFOVYHD-UONOGXRCSA-N 1 3 298.352 3.206 20 0 CGADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)c2ccccc21 ZINC000423104458 295343156 /nfs/dbraw/zinc/34/31/56/295343156.db2.gz BKXFRPIYLNWGPU-LJISPDSOSA-N 1 3 296.361 3.271 20 0 CGADHO C[C@H](CC(C)(C)O)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449449245 298324321 /nfs/dbraw/zinc/32/43/21/298324321.db2.gz KZKBNUNARMBWQA-BFYDXBDKSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](CC(C)(C)O)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449449245 298324325 /nfs/dbraw/zinc/32/43/25/298324325.db2.gz KZKBNUNARMBWQA-BFYDXBDKSA-N 1 3 296.499 3.169 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422892697 301233182 /nfs/dbraw/zinc/23/31/82/301233182.db2.gz ZHKOLTCOMIFRJS-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccsc1C[N@H+](CCN)CCc1ccccc1 ZINC000262100224 302302097 /nfs/dbraw/zinc/30/20/97/302302097.db2.gz VNVVZUIDQRUYIO-UHFFFAOYSA-N 1 3 274.433 3.060 20 0 CGADHO Cc1ccsc1C[N@@H+](CCN)CCc1ccccc1 ZINC000262100224 302302100 /nfs/dbraw/zinc/30/21/00/302302100.db2.gz VNVVZUIDQRUYIO-UHFFFAOYSA-N 1 3 274.433 3.060 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000422954944 302589384 /nfs/dbraw/zinc/58/93/84/302589384.db2.gz IPWVDVVKMYEQBS-UHYGZKCKSA-N 1 3 295.430 3.433 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000261590473 303459709 /nfs/dbraw/zinc/45/97/09/303459709.db2.gz XBWFNWGZDRMBAA-KFWWJZLASA-N 1 3 250.430 3.349 20 0 CGADHO CN1CC=C(C[NH2+]CCC2CCCCCC2)CC1 ZINC000394540099 329125458 /nfs/dbraw/zinc/12/54/58/329125458.db2.gz SNOJTORBPGZGNA-UHFFFAOYSA-N 1 3 250.430 3.198 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000564823098 322044766 /nfs/dbraw/zinc/04/47/66/322044766.db2.gz RGLRKJXSNBGWMD-YNEHKIRRSA-N 1 3 292.389 3.475 20 0 CGADHO CCC[C@H](CN1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000564970265 322051939 /nfs/dbraw/zinc/05/19/39/322051939.db2.gz JLUFLGDUXZAPDK-KURKYZTESA-N 1 3 272.436 3.112 20 0 CGADHO C[C@H](C1CC1)[N@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000566351451 322117245 /nfs/dbraw/zinc/11/72/45/322117245.db2.gz IQETTZOJEMDUEG-CYBMUJFWSA-N 1 3 270.420 3.095 20 0 CGADHO C[C@H](C1CC1)[N@@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000566351451 322117247 /nfs/dbraw/zinc/11/72/47/322117247.db2.gz IQETTZOJEMDUEG-CYBMUJFWSA-N 1 3 270.420 3.095 20 0 CGADHO NC[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCC1 ZINC000567356118 322160163 /nfs/dbraw/zinc/16/01/63/322160163.db2.gz SLMPPAZAJPRXHO-AWEZNQCLSA-N 1 3 279.453 3.018 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@H](C)[NH3+])sc1Br ZINC000567734287 322175273 /nfs/dbraw/zinc/17/52/73/322175273.db2.gz ANSOXPZCLNXAFI-DTWKUNHWSA-N 1 3 291.258 3.034 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000567865139 322180536 /nfs/dbraw/zinc/18/05/36/322180536.db2.gz HGEIRAZQUKKIEW-SJLPKXTDSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000567865139 322180537 /nfs/dbraw/zinc/18/05/37/322180537.db2.gz HGEIRAZQUKKIEW-SJLPKXTDSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000567865139 322180539 /nfs/dbraw/zinc/18/05/39/322180539.db2.gz HGEIRAZQUKKIEW-SJLPKXTDSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000567865138 322180697 /nfs/dbraw/zinc/18/06/97/322180697.db2.gz HGEIRAZQUKKIEW-FUHWJXTLSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000567865138 322180699 /nfs/dbraw/zinc/18/06/99/322180699.db2.gz HGEIRAZQUKKIEW-FUHWJXTLSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000567865138 322180701 /nfs/dbraw/zinc/18/07/01/322180701.db2.gz HGEIRAZQUKKIEW-FUHWJXTLSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)[C@@H](CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871474 322181271 /nfs/dbraw/zinc/18/12/71/322181271.db2.gz DCHCBOKRIKPUKU-MSOLQXFVSA-N 1 3 272.436 3.112 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCSc2ccc(Cl)cc2)C1 ZINC000568107827 322193751 /nfs/dbraw/zinc/19/37/51/322193751.db2.gz ZMLYVIORZIOSKV-OLZOCXBDSA-N 1 3 284.856 3.292 20 0 CGADHO NC[C@@H](C[N@@H+]1CCCc2ccccc2C1)c1ccc(F)cc1 ZINC000568382463 322206581 /nfs/dbraw/zinc/20/65/81/322206581.db2.gz RAOBCHYTCWZODH-SFHVURJKSA-N 1 3 298.405 3.316 20 0 CGADHO NC[C@@H](C[N@H+]1CCCc2ccccc2C1)c1ccc(F)cc1 ZINC000568382463 322206584 /nfs/dbraw/zinc/20/65/84/322206584.db2.gz RAOBCHYTCWZODH-SFHVURJKSA-N 1 3 298.405 3.316 20 0 CGADHO C[C@@H](N(C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910223 322285222 /nfs/dbraw/zinc/28/52/22/322285222.db2.gz DKTIWRCRCJSCLM-FICVDOATSA-N 1 3 286.504 3.080 20 0 CGADHO C[C@@H](N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910223 322285223 /nfs/dbraw/zinc/28/52/23/322285223.db2.gz DKTIWRCRCJSCLM-FICVDOATSA-N 1 3 286.504 3.080 20 0 CGADHO C[C@@H]([N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910223 322285225 /nfs/dbraw/zinc/28/52/25/322285225.db2.gz DKTIWRCRCJSCLM-FICVDOATSA-N 1 3 286.504 3.080 20 0 CGADHO C[C@@H]([N@H+](C)C[C@H](O)CN(C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000570910223 322285226 /nfs/dbraw/zinc/28/52/26/322285226.db2.gz DKTIWRCRCJSCLM-FICVDOATSA-N 1 3 286.504 3.080 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000571902883 322311507 /nfs/dbraw/zinc/31/15/07/322311507.db2.gz SFZJMARKXAIJQM-HOTGVXAUSA-N 1 3 250.430 3.195 20 0 CGADHO CC1=CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000572503124 322340771 /nfs/dbraw/zinc/34/07/71/322340771.db2.gz IQTGIGPICSSHCM-BBWFWOEESA-N 1 3 264.457 3.443 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(CC[NH3+])CC1 ZINC000573257676 322378589 /nfs/dbraw/zinc/37/85/89/322378589.db2.gz JTQGMCNDSRJNMW-INIZCTEOSA-N 1 3 282.378 3.477 20 0 CGADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCOc1cccc2ccccc21 ZINC000573621576 322398015 /nfs/dbraw/zinc/39/80/15/322398015.db2.gz DXFBZQTYADEKRA-RDJZCZTQSA-N 1 3 298.430 3.420 20 0 CGADHO CC(C)Oc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000575980080 322498827 /nfs/dbraw/zinc/49/88/27/322498827.db2.gz LFUMRNNCDWJYFZ-AEFFLSMTSA-N 1 3 290.451 3.123 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCCCc2ccc(F)cc2)C1 ZINC000582617948 329118846 /nfs/dbraw/zinc/11/88/46/329118846.db2.gz ZZRZUXVVLOWFQF-IRXDYDNUSA-N 1 3 278.415 3.398 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000582735985 329134159 /nfs/dbraw/zinc/13/41/59/329134159.db2.gz QUQDQRQGSGWNPO-HZPDHXFCSA-N 1 3 290.451 3.222 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000583024536 329299614 /nfs/dbraw/zinc/29/96/14/329299614.db2.gz BJFFZJKIHSXXTD-GJZGRUSLSA-N 1 3 299.418 3.398 20 0 CGADHO Cc1c(Br)cccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424287498 533711013 /nfs/dbraw/zinc/71/10/13/533711013.db2.gz IWZDZVVBUICBPZ-ZIAGYGMSSA-N 1 3 297.240 3.117 20 0 CGADHO COc1cc(C[N@H+](C)CCCN(C)C)cc2ccccc21 ZINC000576103471 335154197 /nfs/dbraw/zinc/15/41/97/335154197.db2.gz RENLMQBIEBFRAT-UHFFFAOYSA-N 1 3 286.419 3.232 20 0 CGADHO COc1cc(C[N@@H+](C)CCCN(C)C)cc2ccccc21 ZINC000576103471 335154198 /nfs/dbraw/zinc/15/41/98/335154198.db2.gz RENLMQBIEBFRAT-UHFFFAOYSA-N 1 3 286.419 3.232 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576172570 335165036 /nfs/dbraw/zinc/16/50/36/335165036.db2.gz QCUNONWGCWKXNR-CVEARBPZSA-N 1 3 290.451 3.222 20 0 CGADHO Cc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000577114617 335302515 /nfs/dbraw/zinc/30/25/15/335302515.db2.gz IIUUCVYNSDKFTI-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000577114617 335302516 /nfs/dbraw/zinc/30/25/16/335302516.db2.gz IIUUCVYNSDKFTI-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000577274279 335333075 /nfs/dbraw/zinc/33/30/75/335333075.db2.gz XLWMOPQHEDCIGF-SDDRHHMPSA-N 1 3 286.872 3.483 20 0 CGADHO CCNCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000577274279 335333077 /nfs/dbraw/zinc/33/30/77/335333077.db2.gz XLWMOPQHEDCIGF-SDDRHHMPSA-N 1 3 286.872 3.483 20 0 CGADHO CC[NH2+]CCCN[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000578878293 335683703 /nfs/dbraw/zinc/68/37/03/335683703.db2.gz LDBBAILFWMNUSX-QWHCGFSZSA-N 1 3 291.464 3.378 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000382168269 336083612 /nfs/dbraw/zinc/08/36/12/336083612.db2.gz VTNQRWGYVIDMTH-BNOWGMLFSA-N 1 3 252.427 3.272 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000382168269 336083614 /nfs/dbraw/zinc/08/36/14/336083614.db2.gz VTNQRWGYVIDMTH-BNOWGMLFSA-N 1 3 252.427 3.272 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC12CCCC2 ZINC000386943517 336182828 /nfs/dbraw/zinc/18/28/28/336182828.db2.gz UZWCQOVWIISYBG-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO COc1cccc2c(CN[C@@H](C)CC[NH+](C)C)cccc12 ZINC000449107582 533838241 /nfs/dbraw/zinc/83/82/41/533838241.db2.gz MWZORZXCTULRBN-AWEZNQCLSA-N 1 3 286.419 3.278 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@]3(C)CCCOC3)CC2)C1 ZINC000357841690 533859244 /nfs/dbraw/zinc/85/92/44/533859244.db2.gz RBPQAHWEUIILOJ-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@]3(C)CCCOC3)CC2)C1 ZINC000357841690 533859250 /nfs/dbraw/zinc/85/92/50/533859250.db2.gz RBPQAHWEUIILOJ-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(N)cc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000414958459 533887355 /nfs/dbraw/zinc/88/73/55/533887355.db2.gz DDPDUMRNRRMAQL-OALUTQOASA-N 1 3 295.430 3.160 20 0 CGADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NCCC[NH3+] ZINC000423182686 533926873 /nfs/dbraw/zinc/92/68/73/533926873.db2.gz GSYZLNQXXCIZKY-VHSXEESVSA-N 1 3 291.222 3.088 20 0 CGADHO C[C@H]([NH2+][C@H](CN)C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286112 533995448 /nfs/dbraw/zinc/99/54/48/533995448.db2.gz ZQAXYNWYYLMNBB-TVQRCGJNSA-N 1 3 278.783 3.474 20 0 CGADHO C[C@@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)N(C)C ZINC000449219733 534055650 /nfs/dbraw/zinc/05/56/50/534055650.db2.gz BFQQEQYPLQJVEL-HNNXBMFYSA-N 1 3 297.531 3.205 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@]2(C)CCCNC2)C2CC2)cc1 ZINC000423326597 534131892 /nfs/dbraw/zinc/13/18/92/534131892.db2.gz COUHAUDIEZHIHE-RTBURBONSA-N 1 3 286.463 3.295 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCC2)C1 ZINC000173748578 534163333 /nfs/dbraw/zinc/16/33/33/534163333.db2.gz DRPXSHYOKYJIBM-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCC2)C1 ZINC000173748578 534163341 /nfs/dbraw/zinc/16/33/41/534163341.db2.gz DRPXSHYOKYJIBM-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000173748578 534163345 /nfs/dbraw/zinc/16/33/45/534163345.db2.gz DRPXSHYOKYJIBM-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000173748578 534163350 /nfs/dbraw/zinc/16/33/50/534163350.db2.gz DRPXSHYOKYJIBM-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000037643977 521717970 /nfs/dbraw/zinc/71/79/70/521717970.db2.gz PFELLGLQWJVJTP-JKSUJKDBSA-N 1 3 290.451 3.466 20 0 CGADHO Cc1cccc(CCN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000449008128 534690738 /nfs/dbraw/zinc/69/07/38/534690738.db2.gz HKNAEHARVXAOKA-UHFFFAOYSA-N 1 3 274.452 3.342 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000414290635 526661871 /nfs/dbraw/zinc/66/18/71/526661871.db2.gz AFJVSVUAIQXDKS-QXSJWSMHSA-N 1 3 264.457 3.418 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000156091367 527194453 /nfs/dbraw/zinc/19/44/53/527194453.db2.gz JVNHJORMHGZQGH-GFCCVEGCSA-N 1 3 268.351 3.185 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2ccccc2F)c2ccccc21 ZINC000157249860 527377120 /nfs/dbraw/zinc/37/71/20/527377120.db2.gz PCHGNYQPAGXZAG-SJORKVTESA-N 1 3 270.351 3.103 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423445736 527782522 /nfs/dbraw/zinc/78/25/22/527782522.db2.gz NEVAJTIYSIHHGY-KFWWJZLASA-N 1 3 278.440 3.498 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C(C)(C)C ZINC000423406545 527849443 /nfs/dbraw/zinc/84/94/43/527849443.db2.gz UUIBCFPFTKMLOG-ZNMIVQPWSA-N 1 3 254.462 3.425 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449203564 527987906 /nfs/dbraw/zinc/98/79/06/527987906.db2.gz HFOMAROBPZCXDW-DOTOQJQBSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449203564 527987910 /nfs/dbraw/zinc/98/79/10/527987910.db2.gz HFOMAROBPZCXDW-DOTOQJQBSA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449203564 527987912 /nfs/dbraw/zinc/98/79/12/527987912.db2.gz HFOMAROBPZCXDW-DOTOQJQBSA-N 1 3 278.440 3.168 20 0 CGADHO CCC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449374964 528151325 /nfs/dbraw/zinc/15/13/25/528151325.db2.gz GZBHPGHALJDHRL-QGZVFWFLSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423315562 528164606 /nfs/dbraw/zinc/16/46/06/528164606.db2.gz IZIBTEYTXJTBEG-SUMWQHHRSA-N 1 3 276.424 3.109 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423440941 528165623 /nfs/dbraw/zinc/16/56/23/528165623.db2.gz ITKLMOTYLZWYKR-MJBXVCDLSA-N 1 3 264.413 3.108 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCN)cc1 ZINC000437793303 528206082 /nfs/dbraw/zinc/20/60/82/528206082.db2.gz CBCRTKFZPBUPBN-DLBZAZTESA-N 1 3 276.424 3.048 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000423494091 528315513 /nfs/dbraw/zinc/31/55/13/528315513.db2.gz CUTWAVBQFHTUOZ-SRVKXCTJSA-N 1 3 267.442 3.045 20 0 CGADHO CCN(CCC[NH+](C)C)c1ccnc2ccccc21 ZINC000425254730 528443494 /nfs/dbraw/zinc/44/34/94/528443494.db2.gz MFUAMVOHYCNEMW-UHFFFAOYSA-N 1 3 257.381 3.013 20 0 CGADHO CCCC[NH+]1CCC(NCCc2cccc(C)c2)CC1 ZINC000449102157 528461735 /nfs/dbraw/zinc/46/17/35/528461735.db2.gz XKVZCYSGFKUQIE-UHFFFAOYSA-N 1 3 274.452 3.392 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000423382415 528630373 /nfs/dbraw/zinc/63/03/73/528630373.db2.gz OXGMIRXMFWXYJO-GRDNDAEWSA-N 1 3 260.425 3.430 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1OC ZINC000423433327 528690370 /nfs/dbraw/zinc/69/03/70/528690370.db2.gz CCGWWVURXZYHTL-MJBXVCDLSA-N 1 3 294.439 3.260 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423288883 528953240 /nfs/dbraw/zinc/95/32/40/528953240.db2.gz VOBXBRRHRXKNHG-CQSZACIVSA-N 1 3 266.816 3.434 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423261454 529072346 /nfs/dbraw/zinc/07/23/46/529072346.db2.gz JUHDUIIVKRDMAH-ZWNOBZJWSA-N 1 3 285.229 3.083 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)N)c1ccc(OC(F)F)cc1 ZINC000423281839 529155773 /nfs/dbraw/zinc/15/57/73/529155773.db2.gz BZSYMPZVZCJZNP-GFCCVEGCSA-N 1 3 272.339 3.066 20 0 CGADHO CC[C@H](C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)OC ZINC000449404775 529212449 /nfs/dbraw/zinc/21/24/49/529212449.db2.gz WCGQUCJXBHOLAR-MAUKXSAKSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H](C)[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449404775 529212451 /nfs/dbraw/zinc/21/24/51/529212451.db2.gz WCGQUCJXBHOLAR-MAUKXSAKSA-N 1 3 296.499 3.434 20 0 CGADHO CCC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000451439786 535703814 /nfs/dbraw/zinc/70/38/14/535703814.db2.gz OPKLTFSXCHQWAA-KRWDZBQOSA-N 1 3 297.531 3.207 20 0 CGADHO CCc1cccc2c(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)c[nH]c21 ZINC000422907151 535915094 /nfs/dbraw/zinc/91/50/94/535915094.db2.gz BFCXQJNKWYMCFS-SJPCQFCGSA-N 1 3 297.446 3.145 20 0 CGADHO CCc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000483494014 536170180 /nfs/dbraw/zinc/17/01/80/536170180.db2.gz TURGONXKWIICHT-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000483494014 536170183 /nfs/dbraw/zinc/17/01/83/536170183.db2.gz TURGONXKWIICHT-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494014 536170186 /nfs/dbraw/zinc/17/01/86/536170186.db2.gz TURGONXKWIICHT-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483494014 536170189 /nfs/dbraw/zinc/17/01/89/536170189.db2.gz TURGONXKWIICHT-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO COc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000459730272 536892372 /nfs/dbraw/zinc/89/23/72/536892372.db2.gz KCZRTEXASJPFBO-CYBMUJFWSA-N 1 3 296.842 3.170 20 0 CGADHO COc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000459730272 536892376 /nfs/dbraw/zinc/89/23/76/536892376.db2.gz KCZRTEXASJPFBO-CYBMUJFWSA-N 1 3 296.842 3.170 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000311874183 572350150 /nfs/dbraw/zinc/35/01/50/572350150.db2.gz ZQVDXUKFUCBTKA-FDYHWXHSSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000311874183 572350155 /nfs/dbraw/zinc/35/01/55/572350155.db2.gz ZQVDXUKFUCBTKA-FDYHWXHSSA-N 1 3 278.362 3.024 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000726607746 572588543 /nfs/dbraw/zinc/58/85/43/572588543.db2.gz YYRWUHHFABUDIX-TXQCQQFXSA-N 1 3 272.436 3.411 20 0 CGADHO Cc1noc(C)c1[C@H](C)NCCCCC[NH+]1CCCC1 ZINC000926487158 618709631 /nfs/dbraw/zinc/70/96/31/618709631.db2.gz MGPMWFYJUBCVDV-ZDUSSCGKSA-N 1 3 279.428 3.208 20 0 CGADHO COC1CCC(C[NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000892448574 618787763 /nfs/dbraw/zinc/78/77/63/618787763.db2.gz AUEOAGBXZPOZIO-GTPINHCMSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1nc(CNCCCC[NH+]2CCC(C)CC2)sc1C ZINC000892589675 618869094 /nfs/dbraw/zinc/86/90/94/618869094.db2.gz UDGTWFSLBKIBMK-UHFFFAOYSA-N 1 3 295.496 3.362 20 0 CGADHO FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000925678991 619128035 /nfs/dbraw/zinc/12/80/35/619128035.db2.gz GVKASNNKURIATL-RWMBFGLXSA-N 1 3 290.373 3.372 20 0 CGADHO FC(F)(F)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925678991 619128036 /nfs/dbraw/zinc/12/80/36/619128036.db2.gz GVKASNNKURIATL-RWMBFGLXSA-N 1 3 290.373 3.372 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000925708992 619156550 /nfs/dbraw/zinc/15/65/50/619156550.db2.gz MVKRVMFEUVVMCU-OBCVZTRHSA-N 1 3 258.409 3.101 20 0 CGADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1F ZINC000093678089 619209359 /nfs/dbraw/zinc/20/93/59/619209359.db2.gz NYDQUYSHLCHIKE-VHRNVKJDSA-N 1 3 276.399 3.178 20 0 CGADHO C[C@@H](NCCCCCC1CC[NH2+]CC1)c1nccs1 ZINC000925809080 619258261 /nfs/dbraw/zinc/25/82/61/619258261.db2.gz RRIYQIFDSRKVBM-CYBMUJFWSA-N 1 3 281.469 3.354 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000261557303 619288671 /nfs/dbraw/zinc/28/86/71/619288671.db2.gz CNBMHKQSWWDWML-DGADGQDISA-N 1 3 252.446 3.035 20 0 CGADHO C[NH+]1CCC(CNCc2cc(F)c(Cl)cc2F)CC1 ZINC000894116045 619378900 /nfs/dbraw/zinc/37/89/00/619378900.db2.gz CAIXERRCDGUQMS-UHFFFAOYSA-N 1 3 288.769 3.050 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C/c1cccc(F)c1)C2 ZINC000894747910 619620154 /nfs/dbraw/zinc/62/01/54/619620154.db2.gz FZHUTUJSXLPACY-RVTDRZASSA-N 1 3 288.410 3.396 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C/c1cccc(F)c1)C2 ZINC000894747910 619620157 /nfs/dbraw/zinc/62/01/57/619620157.db2.gz FZHUTUJSXLPACY-RVTDRZASSA-N 1 3 288.410 3.396 20 0 CGADHO C[C@H](CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N(C)C ZINC000895293841 619798905 /nfs/dbraw/zinc/79/89/05/619798905.db2.gz RTQAGEBONVKKLI-FFKNIBCLSA-N 1 3 282.378 3.141 20 0 CGADHO C[C@H](CC[NH2+]C1CC(c2ccc(F)cc2F)C1)N(C)C ZINC000895429907 619824891 /nfs/dbraw/zinc/82/48/91/619824891.db2.gz YNKNALPBBAGWMA-LKSINWNRSA-N 1 3 282.378 3.141 20 0 CGADHO CCC1(C[NH2+]C2CCN(CCC(C)C)CC2)CCOCC1 ZINC000925198587 620227742 /nfs/dbraw/zinc/22/77/42/620227742.db2.gz VNMYNDJMJHPVDY-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000897500281 620355042 /nfs/dbraw/zinc/35/50/42/620355042.db2.gz DPCQYIHKMRKVJX-MSOLQXFVSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)Cc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])ccc2O1 ZINC000841031476 620408266 /nfs/dbraw/zinc/40/82/66/620408266.db2.gz SJOTXQVLXMAQMK-HOCLYGCPSA-N 1 3 288.435 3.007 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc2cnccc2c1 ZINC000898308212 620510478 /nfs/dbraw/zinc/51/04/78/620510478.db2.gz SIXOJKBBNITQJI-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000898308212 620510480 /nfs/dbraw/zinc/51/04/80/620510480.db2.gz SIXOJKBBNITQJI-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CC1(C)C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CCS1 ZINC000902451075 621330192 /nfs/dbraw/zinc/33/01/92/621330192.db2.gz FJVMQDFENYJAIN-BYCMXARLSA-N 1 3 276.449 3.395 20 0 CGADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)c1 ZINC000902468770 621340062 /nfs/dbraw/zinc/34/00/62/621340062.db2.gz VEWBLJQSFZCXJP-FYNNLBNCSA-N 1 3 290.838 3.459 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903126724 621590870 /nfs/dbraw/zinc/59/08/70/621590870.db2.gz UQBIWGDWRQFKHA-SJORKVTESA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1CCC[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379932 621721989 /nfs/dbraw/zinc/72/19/89/621721989.db2.gz JCFWJZCKGUOIBT-HYVNUMGLSA-N 1 3 275.440 3.243 20 0 CGADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCOc1ccc3ccccc3c1)C2 ZINC000903846373 621820392 /nfs/dbraw/zinc/82/03/92/621820392.db2.gz NFXLLVGCVXYZMK-QGTPRVQTSA-N 1 3 296.414 3.030 20 0 CGADHO CN(Cc1ccc(F)cc1Cl)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893196 621827891 /nfs/dbraw/zinc/82/78/91/621827891.db2.gz SEGJIKLGNFDNQV-PHTAMDTFSA-N 1 3 296.817 3.442 20 0 CGADHO CC(C)([NH3+])CCNCc1cccc(OC2CCCC2)c1 ZINC000903938439 621836429 /nfs/dbraw/zinc/83/64/29/621836429.db2.gz ASMUQYMPNNHNBR-UHFFFAOYSA-N 1 3 276.424 3.225 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903954067 621842661 /nfs/dbraw/zinc/84/26/61/621842661.db2.gz PIFUEZQPBPVXPJ-HNNXBMFYSA-N 1 3 296.405 3.319 20 0 CGADHO C(CC1CCCCCC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970395 621843791 /nfs/dbraw/zinc/84/37/91/621843791.db2.gz WLWILTQBAUSDIN-QGZVFWFLSA-N 1 3 294.483 3.095 20 0 CGADHO [NH3+][C@H]1C[C@@H](CN2CCSC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000904322503 621905707 /nfs/dbraw/zinc/90/57/07/621905707.db2.gz YTAQDKYXHXCUJK-BYCMXARLSA-N 1 3 296.867 3.167 20 0 CGADHO Cc1cccc([C@H]2CCN(C[C@@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345556 621910518 /nfs/dbraw/zinc/91/05/18/621910518.db2.gz KCOAGKGCPRMTTB-ROUUACIJSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@H]2CC[N@H+](C[C@@]3(C)CCCNC3)C2)c1 ZINC000904345556 621910521 /nfs/dbraw/zinc/91/05/21/621910521.db2.gz KCOAGKGCPRMTTB-ROUUACIJSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@H]2CC[N@@H+](C[C@@]3(C)CCCNC3)C2)c1 ZINC000904345556 621910525 /nfs/dbraw/zinc/91/05/25/621910525.db2.gz KCOAGKGCPRMTTB-ROUUACIJSA-N 1 3 272.436 3.174 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000151116645 622731501 /nfs/dbraw/zinc/73/15/01/622731501.db2.gz XDZQHIOYXWJFKG-UONOGXRCSA-N 1 3 272.502 3.228 20 0 CGADHO CCCN(Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436160 622969187 /nfs/dbraw/zinc/96/91/87/622969187.db2.gz WKGBMFJYESOLBD-OAHLLOKOSA-N 1 3 264.388 3.037 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCNCCc2ccccc2)C1 ZINC000915677867 624020212 /nfs/dbraw/zinc/02/02/12/624020212.db2.gz BMOIAFGHCTVVJY-IRXDYDNUSA-N 1 3 274.452 3.187 20 0 CGADHO c1ccc([C@@H](NCCC[NH2+]C2CC2)C2CCC2)cc1 ZINC000923318195 626145003 /nfs/dbraw/zinc/14/50/03/626145003.db2.gz JPBUEIGUFYCOQB-QGZVFWFLSA-N 1 3 258.409 3.260 20 0 CGADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](CC[NH3+])C1 ZINC000923482908 626157097 /nfs/dbraw/zinc/15/70/97/626157097.db2.gz IRZZZGPLLULSKA-KBPBESRZSA-N 1 3 285.391 3.073 20 0 CGADHO c1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166082316 626171455 /nfs/dbraw/zinc/17/14/55/626171455.db2.gz QHOIXJVKBYENEN-ZWKOTPCHSA-N 1 3 284.447 3.325 20 0 CGADHO c1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166082316 626171457 /nfs/dbraw/zinc/17/14/57/626171457.db2.gz QHOIXJVKBYENEN-ZWKOTPCHSA-N 1 3 284.447 3.325 20 0 CGADHO C[C@H]1COCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000762652147 627118983 /nfs/dbraw/zinc/11/89/83/627118983.db2.gz WAJCOYUHJOFSSU-MAUKXSAKSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H](CN[C@@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871624 627230995 /nfs/dbraw/zinc/23/09/95/627230995.db2.gz XZBIJPXXTANXMK-FUHWJXTLSA-N 1 3 272.436 3.446 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3cc(C)ccc32)C1 ZINC000765293043 627245293 /nfs/dbraw/zinc/24/52/93/627245293.db2.gz YUUSHIXZPKGVNQ-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCc3cc(C)ccc32)C1 ZINC000765293043 627245296 /nfs/dbraw/zinc/24/52/96/627245296.db2.gz YUUSHIXZPKGVNQ-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CCCCC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000765406748 627248368 /nfs/dbraw/zinc/24/83/68/627248368.db2.gz UPFUFUFYUOYCHK-YESZJQIVSA-N 1 3 284.488 3.434 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000785483098 628865778 /nfs/dbraw/zinc/86/57/78/628865778.db2.gz SZPWKFUCWLXFOT-MSOLQXFVSA-N 1 3 283.419 3.197 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCSC(C)(C)C ZINC000801923279 630367526 /nfs/dbraw/zinc/36/75/26/630367526.db2.gz CXTLMDKCPJZSSO-CQSZACIVSA-N 1 3 272.502 3.324 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCSC(C)(C)C ZINC000801923279 630367530 /nfs/dbraw/zinc/36/75/30/630367530.db2.gz CXTLMDKCPJZSSO-CQSZACIVSA-N 1 3 272.502 3.324 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933204 630368722 /nfs/dbraw/zinc/36/87/22/630368722.db2.gz KSGBEOKFHSGCSL-ZIAGYGMSSA-N 1 3 272.502 3.180 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933204 630368725 /nfs/dbraw/zinc/36/87/25/630368725.db2.gz KSGBEOKFHSGCSL-ZIAGYGMSSA-N 1 3 272.502 3.180 20 0 CGADHO Cc1ccc(CNCCC2CC[NH+](C(C)C)CC2)o1 ZINC000865714840 630452963 /nfs/dbraw/zinc/45/29/63/630452963.db2.gz DHCFEMSXWILGHH-UHFFFAOYSA-N 1 3 264.413 3.188 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000811811370 631122448 /nfs/dbraw/zinc/12/24/48/631122448.db2.gz AREXSIBFECJTLC-QWHCGFSZSA-N 1 3 297.402 3.281 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000811811370 631122450 /nfs/dbraw/zinc/12/24/50/631122450.db2.gz AREXSIBFECJTLC-QWHCGFSZSA-N 1 3 297.402 3.281 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000811811368 631122697 /nfs/dbraw/zinc/12/26/97/631122697.db2.gz AREXSIBFECJTLC-CHWSQXEVSA-N 1 3 297.402 3.281 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000811811368 631122699 /nfs/dbraw/zinc/12/26/99/631122699.db2.gz AREXSIBFECJTLC-CHWSQXEVSA-N 1 3 297.402 3.281 20 0 CGADHO CCC(CC)(C[NH2+][C@H](C)c1ccc(CN)nc1C)SC ZINC000817897908 632231414 /nfs/dbraw/zinc/23/14/14/632231414.db2.gz ARWWNTIALJBWJP-GFCCVEGCSA-N 1 3 295.496 3.421 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCSC(C)(C)C ZINC000817907704 632232420 /nfs/dbraw/zinc/23/24/20/632232420.db2.gz HMWOLLPGNFJDJP-NSHDSACASA-N 1 3 281.469 3.031 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCCC[C@H]1N)CCC2 ZINC000817921778 632235127 /nfs/dbraw/zinc/23/51/27/632235127.db2.gz IGOZJQKCFZEEJU-YRGRVCCFSA-N 1 3 279.453 3.079 20 0 CGADHO C[C@H](NCC[C@@]1(C)CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000817936150 632237873 /nfs/dbraw/zinc/23/78/73/632237873.db2.gz HATZIIHJIKYNIW-TUAOUCFPSA-N 1 3 279.255 3.081 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000866282882 633064630 /nfs/dbraw/zinc/06/46/30/633064630.db2.gz SBACKLSORBLZPY-RKVPGOIHSA-N 1 3 288.435 3.145 20 0 CGADHO CC1(C)[C@@H](c2ccccc2F)CCN1C[C@@H]1CC[NH2+]C1 ZINC000866702725 633234289 /nfs/dbraw/zinc/23/42/89/633234289.db2.gz FTCNPHOPVODZEO-UKRRQHHQSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872017795 633937948 /nfs/dbraw/zinc/93/79/48/633937948.db2.gz DZFLXLQJPAXUTI-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000872025828 633946238 /nfs/dbraw/zinc/94/62/38/633946238.db2.gz UKEOSRQQERUQAK-OLZOCXBDSA-N 1 3 280.378 3.429 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@@H]1CCCOC1 ZINC000872062230 633984033 /nfs/dbraw/zinc/98/40/33/633984033.db2.gz LQMRLVJMZCCEOG-BBWFWOEESA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)N1CCCCC1 ZINC000872062984 633985592 /nfs/dbraw/zinc/98/55/92/633985592.db2.gz RVVCWIYHANPEPA-ZACQAIPSSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000873243730 634297655 /nfs/dbraw/zinc/29/76/55/634297655.db2.gz CXJBPLOEFZCYAB-BBRMVZONSA-N 1 3 288.435 3.050 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C2([C@H]3CCCCO3)CCC2)c2ccccc21 ZINC000873275388 634315474 /nfs/dbraw/zinc/31/54/74/634315474.db2.gz KUVJSOCAFLHWOF-IXDOHACOSA-N 1 3 286.419 3.213 20 0 CGADHO [NH3+]CCCCCCCN1CC[C@H]1c1cccc(F)c1 ZINC000842473107 635377667 /nfs/dbraw/zinc/37/76/67/635377667.db2.gz PGUDDGPIHIFSIW-INIZCTEOSA-N 1 3 264.388 3.482 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC2CC3(CCC3)C2)C1 ZINC000878147988 635377765 /nfs/dbraw/zinc/37/77/65/635377765.db2.gz LEUXIPYLGOGCMB-HNNXBMFYSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878147988 635377772 /nfs/dbraw/zinc/37/77/72/635377772.db2.gz LEUXIPYLGOGCMB-HNNXBMFYSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878147988 635377779 /nfs/dbraw/zinc/37/77/79/635377779.db2.gz LEUXIPYLGOGCMB-HNNXBMFYSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)(C)c1cnc(CNCCCCCC[NH3+])s1 ZINC000843128108 635562484 /nfs/dbraw/zinc/56/24/84/635562484.db2.gz HOGUUQNJNIWXTL-UHFFFAOYSA-N 1 3 269.458 3.049 20 0 CGADHO C[NH+]1CCC2(CCN(C/C(Cl)=C/Cl)CC2)CC1 ZINC000879250197 635737310 /nfs/dbraw/zinc/73/73/10/635737310.db2.gz PKFUIDDCDDLIGE-BENRWUELSA-N 1 3 277.239 3.113 20 0 CGADHO Cc1ccc(C[NH+]2CCC(C)(N3CCC3)CC2)cc1C ZINC000880473555 636007336 /nfs/dbraw/zinc/00/73/36/636007336.db2.gz IIDMRSBHBGWLAF-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CN(CCCC[NH+]1CCCCC1)C[C@H]1CC1(Cl)Cl ZINC000880516261 636013649 /nfs/dbraw/zinc/01/36/49/636013649.db2.gz HLTOQKIXKXFBET-CYBMUJFWSA-N 1 3 293.282 3.378 20 0 CGADHO [NH3+]CCCCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000846219288 636162573 /nfs/dbraw/zinc/16/25/73/636162573.db2.gz NCPMYKMGHOFYGW-OAHLLOKOSA-N 1 3 250.361 3.092 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883428032 636752482 /nfs/dbraw/zinc/75/24/82/636752482.db2.gz JWKKTANCHMXXHH-OKZBNKHCSA-N 1 3 288.435 3.110 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000886011185 637360244 /nfs/dbraw/zinc/36/02/44/637360244.db2.gz WDBLWFAFZPGUPS-MAUKXSAKSA-N 1 3 294.483 3.331 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](CCOC1CCCCCC1)C2 ZINC000852109167 637599371 /nfs/dbraw/zinc/59/93/71/637599371.db2.gz WYRCIPOCJKNXTM-SFHVURJKSA-N 1 3 294.483 3.144 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOC1CCCCCC1)C2 ZINC000852109167 637599378 /nfs/dbraw/zinc/59/93/78/637599378.db2.gz WYRCIPOCJKNXTM-SFHVURJKSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCCO2)CC1 ZINC000886725808 637675132 /nfs/dbraw/zinc/67/51/32/637675132.db2.gz XOZQPIHTGWMJPI-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO ClC(Cl)=CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000852749014 637707102 /nfs/dbraw/zinc/70/71/02/637707102.db2.gz GHZMNWIMCRTJBJ-RYUDHWBXSA-N 1 3 277.239 3.017 20 0 CGADHO c1cnc2cccc(CN3CCCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000886874035 637715217 /nfs/dbraw/zinc/71/52/17/637715217.db2.gz FBFZKHBXZQZDQC-LJQANCHMSA-N 1 3 295.430 3.200 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222953454 637834834 /nfs/dbraw/zinc/83/48/34/637834834.db2.gz JPPSLBGVBZUDOZ-CFVMTHIKSA-N 1 3 262.397 3.006 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2[C@H](C)CC[C@H]2C)C1 ZINC000924962037 638432710 /nfs/dbraw/zinc/43/27/10/638432710.db2.gz YEXRLESAOGMRGN-RBSFLKMASA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924963513 638432738 /nfs/dbraw/zinc/43/27/38/638432738.db2.gz KCNMPVZJPVSMLQ-AWEZNQCLSA-N 1 3 299.418 3.334 20 0 CGADHO CC(C)[NH+](CCCNC1CC2(C1)CO[C@H](C)C2)C(C)C ZINC000925195963 638473480 /nfs/dbraw/zinc/47/34/80/638473480.db2.gz KFXPRSQZXNMKRL-KLAILNCOSA-N 1 3 282.472 3.043 20 0 CGADHO C1CCC(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)C1 ZINC000925220914 638477932 /nfs/dbraw/zinc/47/79/32/638477932.db2.gz KNUIRLBLFSBCNI-ZXFUBFMLSA-N 1 3 294.508 3.410 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000925221799 638478830 /nfs/dbraw/zinc/47/88/30/638478830.db2.gz PHVINBLOKJIDDQ-AEFFLSMTSA-N 1 3 296.499 3.148 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccc(F)cc3)CCC2)C12CCC2 ZINC000925547449 638524497 /nfs/dbraw/zinc/52/44/97/638524497.db2.gz OENLMUNJCKLHCS-HZPDHXFCSA-N 1 3 288.410 3.107 20 0 CGADHO CC(C)OC1CCC(N[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925622243 638547600 /nfs/dbraw/zinc/54/76/00/638547600.db2.gz MNRHPVDULVCNKN-LTDKPHRXSA-N 1 3 290.451 3.401 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925683259 638568908 /nfs/dbraw/zinc/56/89/08/638568908.db2.gz NJECYXKKTQVTNL-ILXRZTDVSA-N 1 3 286.410 3.180 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@@H](c3ccccc3)C1(C)C)[NH2+]2 ZINC000925722762 638582909 /nfs/dbraw/zinc/58/29/09/638582909.db2.gz LCDVGJIJCZRQRQ-WLGOAYHESA-N 1 3 284.447 3.297 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1C ZINC000925787059 638614414 /nfs/dbraw/zinc/61/44/14/638614414.db2.gz ZEUSDLKDZJPVLW-KGLIPLIRSA-N 1 3 282.378 3.199 20 0 CGADHO CCSc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925836281 638627216 /nfs/dbraw/zinc/62/72/16/638627216.db2.gz YMMNNYRZUHIURA-XYPWUTKMSA-N 1 3 290.476 3.214 20 0 CGADHO COc1c(C)cc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1C ZINC000858245347 638663047 /nfs/dbraw/zinc/66/30/47/638663047.db2.gz QRHMPMLHWQODOI-INIZCTEOSA-N 1 3 290.451 3.134 20 0 CGADHO CN1C[C@]2(C)C[N@H+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305335 639133805 /nfs/dbraw/zinc/13/38/05/639133805.db2.gz DHTIKNGGONJEQY-CALCHBBNSA-N 1 3 292.854 3.156 20 0 CGADHO CN1C[C@]2(C)C[N@@H+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305335 639133811 /nfs/dbraw/zinc/13/38/11/639133811.db2.gz DHTIKNGGONJEQY-CALCHBBNSA-N 1 3 292.854 3.156 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCSc2ccc(F)cc21 ZINC000250040540 640810250 /nfs/dbraw/zinc/81/02/50/640810250.db2.gz XEUQCHLLNOBGMD-BPNCWPANSA-N 1 3 280.412 3.080 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)s1 ZINC000251544785 640828065 /nfs/dbraw/zinc/82/80/65/640828065.db2.gz PIEROYBWDCTATD-GUBZILKMSA-N 1 3 258.818 3.180 20 0 CGADHO CCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253539758 806243152 /nfs/dbraw/zinc/24/31/52/806243152.db2.gz ZIXIKTXWPSVEOM-KSZLIROESA-N 1 3 296.499 3.266 20 0 CGADHO CCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001253539758 806243154 /nfs/dbraw/zinc/24/31/54/806243154.db2.gz ZIXIKTXWPSVEOM-KSZLIROESA-N 1 3 296.499 3.266 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+](C)C[C@H](C)CN ZINC001254491280 806415230 /nfs/dbraw/zinc/41/52/30/806415230.db2.gz SVTSZTGCYQKHAX-NVXWUHKLSA-N 1 3 262.441 3.315 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+](C)C[C@H](C)CN ZINC001254491280 806415234 /nfs/dbraw/zinc/41/52/34/806415234.db2.gz SVTSZTGCYQKHAX-NVXWUHKLSA-N 1 3 262.441 3.315 20 0 CGADHO CN1CCC[C@H]([NH2+]Cc2ccc3sccc3c2)CC1 ZINC001254506043 806425270 /nfs/dbraw/zinc/42/52/70/806425270.db2.gz OCJPFIKBXSRCKJ-HNNXBMFYSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@@H+]1CCC[C@H](NCc2ccc3sccc3c2)CC1 ZINC001254506043 806425273 /nfs/dbraw/zinc/42/52/73/806425273.db2.gz OCJPFIKBXSRCKJ-HNNXBMFYSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@H+]1CCC[C@H](NCc2ccc3sccc3c2)CC1 ZINC001254506043 806425279 /nfs/dbraw/zinc/42/52/79/806425279.db2.gz OCJPFIKBXSRCKJ-HNNXBMFYSA-N 1 3 274.433 3.475 20 0 CGADHO CCN(Cc1cccc(OC)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525451 806438426 /nfs/dbraw/zinc/43/84/26/806438426.db2.gz IXZKUYSMIDKRKV-INIZCTEOSA-N 1 3 276.424 3.001 20 0 CGADHO CCN(Cc1cccc(OC)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525451 806438434 /nfs/dbraw/zinc/43/84/34/806438434.db2.gz IXZKUYSMIDKRKV-INIZCTEOSA-N 1 3 276.424 3.001 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524784 806438538 /nfs/dbraw/zinc/43/85/38/806438538.db2.gz ZIKIQYDVPXAAHJ-GJZGRUSLSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@H](N2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524784 806438541 /nfs/dbraw/zinc/43/85/41/806438541.db2.gz ZIKIQYDVPXAAHJ-GJZGRUSLSA-N 1 3 276.399 3.099 20 0 CGADHO c1ccc(CN2CCC[C@H]([NH2+]Cc3ccncc3)CC2)cc1 ZINC001255378293 806628222 /nfs/dbraw/zinc/62/82/22/806628222.db2.gz NLTYPQLHRZXBGD-IBGZPJMESA-N 1 3 295.430 3.226 20 0 CGADHO CC(C)[N@H+](CCCN)C1CCC(C(F)(F)F)CC1 ZINC001255507278 806657167 /nfs/dbraw/zinc/65/71/67/806657167.db2.gz REDUZNWKTVPSQC-UHFFFAOYSA-N 1 3 266.351 3.167 20 0 CGADHO CC(C)[N@@H+](CCCN)C1CCC(C(F)(F)F)CC1 ZINC001255507278 806657169 /nfs/dbraw/zinc/65/71/69/806657169.db2.gz REDUZNWKTVPSQC-UHFFFAOYSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC001257452309 807163486 /nfs/dbraw/zinc/16/34/86/807163486.db2.gz QEJCTRHDAXHZDG-OAHLLOKOSA-N 1 3 260.425 3.416 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001257452309 807163490 /nfs/dbraw/zinc/16/34/90/807163490.db2.gz QEJCTRHDAXHZDG-OAHLLOKOSA-N 1 3 260.425 3.416 20 0 CGADHO CN1[C@@H]2CCC[C@H]1CC([N@H+](C)Cc1ccsc1)C2 ZINC001255681363 806704667 /nfs/dbraw/zinc/70/46/67/806704667.db2.gz SCCSUHBZIOLTTP-YIONKMFJSA-N 1 3 264.438 3.195 20 0 CGADHO CN1[C@@H]2CCC[C@H]1CC([N@@H+](C)Cc1ccsc1)C2 ZINC001255681363 806704674 /nfs/dbraw/zinc/70/46/74/806704674.db2.gz SCCSUHBZIOLTTP-YIONKMFJSA-N 1 3 264.438 3.195 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000339084282 799280234 /nfs/dbraw/zinc/28/02/34/799280234.db2.gz JRRCYUXQHMIRIM-FPCVCCKLSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1ccccc1C1CC([NH2+]CC[C@H](C)N(C)C)C1 ZINC000700562760 799873288 /nfs/dbraw/zinc/87/32/88/799873288.db2.gz FGAMPLXTDPOZAD-FHERZECASA-N 1 3 260.425 3.171 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC001255941415 806790312 /nfs/dbraw/zinc/79/03/12/806790312.db2.gz QLNUXXKZMJPQCJ-LBPRGKRZSA-N 1 3 262.388 3.274 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001255947579 806792673 /nfs/dbraw/zinc/79/26/73/806792673.db2.gz SSWJOPWXGVRQST-LSDHHAIUSA-N 1 3 278.440 3.206 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC001255946331 806793151 /nfs/dbraw/zinc/79/31/51/806793151.db2.gz SKFPGDRSAJLFBJ-GFCCVEGCSA-N 1 3 262.388 3.132 20 0 CGADHO C([C@@H]1CCCCN1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708762654 799994215 /nfs/dbraw/zinc/99/42/15/799994215.db2.gz AOCMWXOQTCOLDI-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@@H]1CCCCN1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708762654 799994219 /nfs/dbraw/zinc/99/42/19/799994219.db2.gz AOCMWXOQTCOLDI-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709790866 800018634 /nfs/dbraw/zinc/01/86/34/800018634.db2.gz QSFHKFULHVBDFJ-HOTGVXAUSA-N 1 3 252.446 3.278 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709790866 800018638 /nfs/dbraw/zinc/01/86/38/800018638.db2.gz QSFHKFULHVBDFJ-HOTGVXAUSA-N 1 3 252.446 3.278 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N1CCC(C(C)C)CC1 ZINC001255967547 806802440 /nfs/dbraw/zinc/80/24/40/806802440.db2.gz QTCOOGACTQXQTJ-HNNXBMFYSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@H](C)[NH+]1CCC(C(C)C)CC1 ZINC001255967547 806802446 /nfs/dbraw/zinc/80/24/46/806802446.db2.gz QTCOOGACTQXQTJ-HNNXBMFYSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+](C)CCc1cccs1 ZINC001255964215 806802500 /nfs/dbraw/zinc/80/25/00/806802500.db2.gz PYAXSROVSQTXCL-AWEZNQCLSA-N 1 3 268.470 3.343 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+](C)CCc1cccs1 ZINC001255964215 806802506 /nfs/dbraw/zinc/80/25/06/806802506.db2.gz PYAXSROVSQTXCL-AWEZNQCLSA-N 1 3 268.470 3.343 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000714751900 800128579 /nfs/dbraw/zinc/12/85/79/800128579.db2.gz JOQNPVUNDXJMFW-NWDGAFQWSA-N 1 3 278.362 3.311 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C[C@@H](C)C1 ZINC000715511822 800137864 /nfs/dbraw/zinc/13/78/64/800137864.db2.gz LUGJRFFIOPLSCV-ZVDSWSACSA-N 1 3 252.446 3.274 20 0 CGADHO Cc1ncccc1[C@H](NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071780 806810773 /nfs/dbraw/zinc/81/07/73/806810773.db2.gz OWAONXAJMKQLIA-GOSISDBHSA-N 1 3 285.435 3.058 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000718751429 800222101 /nfs/dbraw/zinc/22/21/01/800222101.db2.gz JSOBURVLEWQEEA-BRWVUGGUSA-N 1 3 282.472 3.188 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925776907 800634001 /nfs/dbraw/zinc/63/40/01/800634001.db2.gz AEBVAPAXWIMZSG-ZIAGYGMSSA-N 1 3 282.378 3.199 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCCc2ccccn2)CC1 ZINC001256562242 806916842 /nfs/dbraw/zinc/91/68/42/806916842.db2.gz NZFUJAYIGVGOHZ-UHFFFAOYSA-N 1 3 289.467 3.257 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001256628485 806932635 /nfs/dbraw/zinc/93/26/35/806932635.db2.gz GGWPAPUCQGDSNU-WFFDWFOESA-N 1 3 285.435 3.152 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001256628485 806932638 /nfs/dbraw/zinc/93/26/38/806932638.db2.gz GGWPAPUCQGDSNU-WFFDWFOESA-N 1 3 285.435 3.152 20 0 CGADHO CCCC(CCC)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679864 806946947 /nfs/dbraw/zinc/94/69/47/806946947.db2.gz UMSFDJNSNFYDRL-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO C1CC2CCCC(C1)[NH+]2C1CCC(N2CCOCC2)CC1 ZINC001256696374 806949964 /nfs/dbraw/zinc/94/99/64/806949964.db2.gz CCUPPZOWQIPWJO-UHFFFAOYSA-N 1 3 292.467 3.037 20 0 CGADHO CCCC[N@H+](CCC)C1CCC(N2CCOCC2)CC1 ZINC001256694660 806950421 /nfs/dbraw/zinc/95/04/21/806950421.db2.gz CAEUUBGJKJXECQ-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO CCCC[N@@H+](CCC)C1CCC(N2CCOCC2)CC1 ZINC001256694660 806950424 /nfs/dbraw/zinc/95/04/24/806950424.db2.gz CAEUUBGJKJXECQ-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO C[C@H](Cc1ccncc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001256718391 806955436 /nfs/dbraw/zinc/95/54/36/806955436.db2.gz IEXPFBIEBKNASF-VQIMIIECSA-N 1 3 297.446 3.295 20 0 CGADHO CC(C)CCC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001170088506 807753506 /nfs/dbraw/zinc/75/35/06/807753506.db2.gz UJANBYWYSFRNFC-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(C)C1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172382447 808275083 /nfs/dbraw/zinc/27/50/83/808275083.db2.gz LGKAJHCHGBBQJS-SQWLQELKSA-N 1 3 252.446 3.227 20 0 CGADHO Cc1cnc2ccccc2c1N(C)CCC[NH+]1CCCC1 ZINC001116897498 802426177 /nfs/dbraw/zinc/42/61/77/802426177.db2.gz JBELGIRRXSWRQM-UHFFFAOYSA-N 1 3 283.419 3.465 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)CC1CCSCC1 ZINC001181506029 810056955 /nfs/dbraw/zinc/05/69/55/810056955.db2.gz NFHWFNIDFYBTRW-UHFFFAOYSA-N 1 3 272.502 3.183 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC001200811189 811748509 /nfs/dbraw/zinc/74/85/09/811748509.db2.gz CWYAAMDHPOPRLQ-IRXDYDNUSA-N 1 3 283.419 3.197 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2ccc(C(F)F)cc2)CC1 ZINC001205280591 812929316 /nfs/dbraw/zinc/92/93/16/812929316.db2.gz DANKEHYSOXCRKC-HNNXBMFYSA-N 1 3 268.351 3.328 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]C2CCC(C)CC2)CCN1 ZINC001246063753 804106307 /nfs/dbraw/zinc/10/63/07/804106307.db2.gz CVXULYMIJVHFNZ-CKUJCDMFSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246065131 804106979 /nfs/dbraw/zinc/10/69/79/804106979.db2.gz JQDJIHOBGHLXNP-LSDHHAIUSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246074438 804112604 /nfs/dbraw/zinc/11/26/04/804112604.db2.gz PFXICQDGRMYNSK-HZPDHXFCSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)NCC1([NH3+])CCCC1 ZINC001246077754 804116405 /nfs/dbraw/zinc/11/64/05/804116405.db2.gz ZCJBADOPXBDLED-GFCCVEGCSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC001246092501 804125486 /nfs/dbraw/zinc/12/54/86/804125486.db2.gz CZWLQJWKVFFPMM-XJKCOSOUSA-N 1 3 296.455 3.284 20 0 CGADHO C[C@@]1([NH2+]C2CCC(Cc3ccccc3)CC2)CCNC1 ZINC001246097350 804129566 /nfs/dbraw/zinc/12/95/66/804129566.db2.gz OJGLNSUMNIXGRQ-DAWZGUTISA-N 1 3 272.436 3.130 20 0 CGADHO CCCCCC1CCC([NH2+][C@H]2CNC[C@@H]2C)CC1 ZINC001246110630 804141624 /nfs/dbraw/zinc/14/16/24/804141624.db2.gz TZJZMCIGIJVYPZ-LBDPXKHJSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC1CCC(NC[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246116071 804148604 /nfs/dbraw/zinc/14/86/04/804148604.db2.gz UMVDREQUVRRGTG-RUXDESIVSA-N 1 3 292.389 3.477 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@H]1CCC[NH2+]C[C@@H]1C ZINC001246118583 804151284 /nfs/dbraw/zinc/15/12/84/804151284.db2.gz SKIOGNPPFXXXGO-ZENOOKHLSA-N 1 3 296.455 3.284 20 0 CGADHO CCCC[C@H]1C[C@H](NCCSCc2ccco2)CC[NH2+]1 ZINC001246177508 804191988 /nfs/dbraw/zinc/19/19/88/804191988.db2.gz JGESHZMNSBIADD-LSDHHAIUSA-N 1 3 296.480 3.413 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246178692 804192731 /nfs/dbraw/zinc/19/27/31/804192731.db2.gz OBXXYPKQPCBNCV-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@]1(N[C@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246188154 804198890 /nfs/dbraw/zinc/19/88/90/804198890.db2.gz HSLJDFOPQKEYJO-FGTMMUONSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246210330 804208230 /nfs/dbraw/zinc/20/82/30/804208230.db2.gz MPYGSNDTQTYEJD-RXQRSOPUSA-N 1 3 286.463 3.376 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2cc(Cl)ccn2)CC1 ZINC001139562932 804210152 /nfs/dbraw/zinc/21/01/52/804210152.db2.gz SNWWAJKNCKWZSI-UHFFFAOYSA-N 1 3 295.858 3.287 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232304 804225273 /nfs/dbraw/zinc/22/52/73/804225273.db2.gz WZNAPUPEFMCTOB-BIVLZKPYSA-N 1 3 264.457 3.466 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)CCN1 ZINC001246239719 804232247 /nfs/dbraw/zinc/23/22/47/804232247.db2.gz SLOIEEWOZFXAID-QRVBRYPASA-N 1 3 286.463 3.444 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CN ZINC001246252278 804238206 /nfs/dbraw/zinc/23/82/06/804238206.db2.gz UVYCMHVGUNBGSA-MRXNPFEDSA-N 1 3 262.441 3.362 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246273633 804250415 /nfs/dbraw/zinc/25/04/15/804250415.db2.gz QQCYHEVHXSPQGW-NFFDBFGFSA-N 1 3 280.843 3.390 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CN1 ZINC001246287805 804260644 /nfs/dbraw/zinc/26/06/44/804260644.db2.gz LGXLTCPTAXPXOJ-JLZZUVOBSA-N 1 3 276.399 3.397 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)CCN1 ZINC001246292238 804262268 /nfs/dbraw/zinc/26/22/68/804262268.db2.gz WQHIJXLOLLBSNA-RBSFLKMASA-N 1 3 252.446 3.466 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246295513 804264628 /nfs/dbraw/zinc/26/46/28/804264628.db2.gz OTAAPPKQZDKSKX-DLBZAZTESA-N 1 3 284.488 3.220 20 0 CGADHO C[C@H](CCN)[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246299967 804265837 /nfs/dbraw/zinc/26/58/37/804265837.db2.gz KVLIVYMGHQARNT-SKDRFNHKSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@@H]([NH3+])CCN[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246303572 804267970 /nfs/dbraw/zinc/26/79/70/804267970.db2.gz IRXMZYTXXKAFTQ-MNOVXSKESA-N 1 3 272.845 3.148 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1Cl ZINC001246307026 804270420 /nfs/dbraw/zinc/27/04/20/804270420.db2.gz CMNUBCMZMXLWIB-RISCZKNCSA-N 1 3 286.822 3.373 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H](C)Cc1cccc(Cl)c1 ZINC001246310869 804273075 /nfs/dbraw/zinc/27/30/75/804273075.db2.gz OGEIRTNZFPHQIZ-IUODEOHRSA-N 1 3 268.832 3.234 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246326539 804282091 /nfs/dbraw/zinc/28/20/91/804282091.db2.gz PWPGTQUQYLDVNR-SIXLDLHFSA-N 1 3 258.409 3.053 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC001246324483 804283250 /nfs/dbraw/zinc/28/32/50/804283250.db2.gz HEENFADVYGTYLN-HOTGVXAUSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)C1CCC([NH2+]C2C[C@@H](C)N[C@H](C)C2)CC1 ZINC001246333265 804287682 /nfs/dbraw/zinc/28/76/82/804287682.db2.gz KLBGULINEDPDNI-LMRVLLHPSA-N 1 3 252.446 3.320 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246333997 804289003 /nfs/dbraw/zinc/28/90/03/804289003.db2.gz TYGUKZDETDTMBY-SMDDNHRTSA-N 1 3 286.872 3.394 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)CCN1 ZINC001246345647 804295570 /nfs/dbraw/zinc/29/55/70/804295570.db2.gz JLMMAVGVJRWXGQ-QAPCUYQASA-N 1 3 299.462 3.467 20 0 CGADHO C[C@H]1CC(NCCc2ccc(F)cc2Cl)C[C@H](C)[NH2+]1 ZINC001246344630 804296797 /nfs/dbraw/zinc/29/67/97/804296797.db2.gz CAILADSIPRZCIT-QWRGUYRKSA-N 1 3 284.806 3.140 20 0 CGADHO C[C@H]1CC([NH2+]CCc2ccc(F)cc2Cl)C[C@H](C)N1 ZINC001246344630 804296804 /nfs/dbraw/zinc/29/68/04/804296804.db2.gz CAILADSIPRZCIT-QWRGUYRKSA-N 1 3 284.806 3.140 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246349506 804297850 /nfs/dbraw/zinc/29/78/50/804297850.db2.gz RLUPQMGVDNDNHS-BSDSXHPESA-N 1 3 272.436 3.126 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246375963 804312581 /nfs/dbraw/zinc/31/25/81/804312581.db2.gz LDGHXKWMPFBUNQ-HNNXBMFYSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381030 804313567 /nfs/dbraw/zinc/31/35/67/804313567.db2.gz NLOUCTACDBOQHV-AWEZNQCLSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H](CC1CC1)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246392335 804318425 /nfs/dbraw/zinc/31/84/25/804318425.db2.gz RXCNCHPHIBKDLM-CQSZACIVSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1(CC3CC3)CCNCC1)CC2 ZINC001246392862 804318565 /nfs/dbraw/zinc/31/85/65/804318565.db2.gz RZCYKNBKHKMLBW-LJQANCHMSA-N 1 3 298.474 3.364 20 0 CGADHO Fc1cccc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC001246395300 804319612 /nfs/dbraw/zinc/31/96/12/804319612.db2.gz VCVSLFANPXJZDL-SJPCQFCGSA-N 1 3 288.410 3.164 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC2(CCC2)C1)CC1CCC1 ZINC001246396409 804320372 /nfs/dbraw/zinc/32/03/72/804320372.db2.gz ZPFSWYGVFZEVQB-HNNXBMFYSA-N 1 3 264.457 3.467 20 0 CGADHO CC[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246392923 804320813 /nfs/dbraw/zinc/32/08/13/804320813.db2.gz OSXSXBWKVMBYRC-SJORKVTESA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246392923 804320821 /nfs/dbraw/zinc/32/08/21/804320821.db2.gz OSXSXBWKVMBYRC-SJORKVTESA-N 1 3 290.426 3.411 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430701 804329222 /nfs/dbraw/zinc/32/92/22/804329222.db2.gz HJTMHBUAWIFBBB-HOTGVXAUSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CCNCC2)C1 ZINC001246432803 804331147 /nfs/dbraw/zinc/33/11/47/804331147.db2.gz YBFPMMVNOPAVOC-ZIAGYGMSSA-N 1 3 276.399 3.183 20 0 CGADHO CC[C@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246434587 804331233 /nfs/dbraw/zinc/33/12/33/804331233.db2.gz NKBUEEHLFOOPCR-JKSUJKDBSA-N 1 3 290.426 3.411 20 0 CGADHO CCCCCC[C@H](CCCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246462772 804343408 /nfs/dbraw/zinc/34/34/08/804343408.db2.gz DDMRXFAKPLXCPN-BBWFWOEESA-N 1 3 284.488 3.482 20 0 CGADHO CC1(C)CCC(NC[C@]2(CC3CC3)CCC[NH2+]2)CC1 ZINC001246462441 804343821 /nfs/dbraw/zinc/34/38/21/804343821.db2.gz SCCHCTOYMQXSPV-QGZVFWFLSA-N 1 3 264.457 3.467 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2C[NH2+]C1CCNCC1 ZINC001246469011 804347109 /nfs/dbraw/zinc/34/71/09/804347109.db2.gz GDYMPGGLXKKIBJ-UHFFFAOYSA-N 1 3 278.399 3.141 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001246473572 804351622 /nfs/dbraw/zinc/35/16/22/804351622.db2.gz KLGUXZJHWJEFTB-AKHDSKFASA-N 1 3 284.447 3.007 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCNCC12CC2 ZINC001246476329 804351957 /nfs/dbraw/zinc/35/19/57/804351957.db2.gz ZGUQWSZGDSFEGT-DOMZBBRYSA-N 1 3 278.827 3.003 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246476245 804352662 /nfs/dbraw/zinc/35/26/62/804352662.db2.gz YGFQBVMNPZGDIA-IUODEOHRSA-N 1 3 278.827 3.003 20 0 CGADHO C1=C[C@H](NC2CCC(c3ccccc3)CC2)[C@H]2C[NH2+]C[C@@H]12 ZINC001246477008 804352911 /nfs/dbraw/zinc/35/29/11/804352911.db2.gz YEMFQXNUPIYHQK-RBGSFJITSA-N 1 3 282.431 3.076 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246476571 804353374 /nfs/dbraw/zinc/35/33/74/804353374.db2.gz XSONGMKUBULGFU-QTMHVTGLSA-N 1 3 282.431 3.076 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)CCN1 ZINC001246487828 804357353 /nfs/dbraw/zinc/35/73/53/804357353.db2.gz HLMSBQVJBSDTMA-XQLPTFJDSA-N 1 3 252.446 3.321 20 0 CGADHO CCCCCC1CCC([NH2+][C@H]2C[C@@H](NC)C2)CC1 ZINC001246500584 804363024 /nfs/dbraw/zinc/36/30/24/804363024.db2.gz XODJPFMZFQGYJB-STONLHKKSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)OC1CCC(N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246505445 804365336 /nfs/dbraw/zinc/36/53/36/804365336.db2.gz AOCZVUYBLYZHLO-OFLPRAFFSA-N 1 3 276.424 3.012 20 0 CGADHO CNc1cccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246505013 804365851 /nfs/dbraw/zinc/36/58/51/804365851.db2.gz KBWGURONKFCURK-RTBURBONSA-N 1 3 295.430 3.311 20 0 CGADHO C[C@H]1CC([NH2+]C2CCc3ccccc3CC2)C[C@H](C)N1 ZINC001246515371 804369162 /nfs/dbraw/zinc/36/91/62/804369162.db2.gz MNTZCHKAHXFPGZ-KBPBESRZSA-N 1 3 272.436 3.053 20 0 CGADHO CC(C)C[NH+](CC(C)C)[C@@H]1CCN[C@@H](C(C)C)C1 ZINC001246519674 804373172 /nfs/dbraw/zinc/37/31/72/804373172.db2.gz DDCGQTOHQHEVCR-HZPDHXFCSA-N 1 3 254.462 3.377 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246521002 804373710 /nfs/dbraw/zinc/37/37/10/804373710.db2.gz XWHJWYXJJHGTTR-CVEARBPZSA-N 1 3 264.457 3.467 20 0 CGADHO c1ccc(C[C@@H]2C[C@H]([NH+]3Cc4ccccc4C3)CCN2)cc1 ZINC001246525974 804379175 /nfs/dbraw/zinc/37/91/75/804379175.db2.gz UQTAEVJNXDTICY-WOJBJXKFSA-N 1 3 292.426 3.366 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@@H](N)CC2)cc1 ZINC001246539237 804388967 /nfs/dbraw/zinc/38/89/67/804388967.db2.gz FWAAYGOKGQALIE-NVXWUHKLSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H](N)CC2)cc1 ZINC001246539237 804388974 /nfs/dbraw/zinc/38/89/74/804388974.db2.gz FWAAYGOKGQALIE-NVXWUHKLSA-N 1 3 260.425 3.129 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001246552607 804403075 /nfs/dbraw/zinc/40/30/75/804403075.db2.gz QRZMCKSTYVFZII-YHUYYLMFSA-N 1 3 254.462 3.364 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001246552607 804403080 /nfs/dbraw/zinc/40/30/80/804403080.db2.gz QRZMCKSTYVFZII-YHUYYLMFSA-N 1 3 254.462 3.364 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554490 804404238 /nfs/dbraw/zinc/40/42/38/804404238.db2.gz VJUMAYQGOGWXOT-RHSMWYFYSA-N 1 3 292.854 3.401 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554491 804404799 /nfs/dbraw/zinc/40/47/99/804404799.db2.gz VJUMAYQGOGWXOT-WMLDXEAASA-N 1 3 292.854 3.401 20 0 CGADHO [NH3+]C[C@@H]1CN([C@@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557086 804406574 /nfs/dbraw/zinc/40/65/74/804406574.db2.gz LAIKUALGHPVFTK-BZUAXINKSA-N 1 3 294.389 3.239 20 0 CGADHO Cc1cccc2c1CN([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246569592 804417111 /nfs/dbraw/zinc/41/71/11/804417111.db2.gz WQHNANVBOFVTOQ-RDJZCZTQSA-N 1 3 272.436 3.477 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571502 804418950 /nfs/dbraw/zinc/41/89/50/804418950.db2.gz UTBBTJWHGTXBIK-YUELXQCFSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571502 804418954 /nfs/dbraw/zinc/41/89/54/804418954.db2.gz UTBBTJWHGTXBIK-YUELXQCFSA-N 1 3 292.854 3.257 20 0 CGADHO CC1(CN)C[NH+]([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246590256 804433628 /nfs/dbraw/zinc/43/36/28/804433628.db2.gz RYWCRAAJQWHFCA-CQSZACIVSA-N 1 3 250.430 3.160 20 0 CGADHO CC1(C[NH3+])CN([C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246590256 804433633 /nfs/dbraw/zinc/43/36/33/804433633.db2.gz RYWCRAAJQWHFCA-CQSZACIVSA-N 1 3 250.430 3.160 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612247 804447359 /nfs/dbraw/zinc/44/73/59/804447359.db2.gz HXVWOLWIORRZDR-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612247 804447363 /nfs/dbraw/zinc/44/73/63/804447363.db2.gz HXVWOLWIORRZDR-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246612844 804447479 /nfs/dbraw/zinc/44/74/79/804447479.db2.gz XNSHQUJSTOUSSC-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@@H]([N@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246612844 804447481 /nfs/dbraw/zinc/44/74/81/804447481.db2.gz XNSHQUJSTOUSSC-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246614338 804448012 /nfs/dbraw/zinc/44/80/12/804448012.db2.gz RUDCLFWYTSCZCX-HOCLYGCPSA-N 1 3 284.513 3.372 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246614338 804448016 /nfs/dbraw/zinc/44/80/16/804448016.db2.gz RUDCLFWYTSCZCX-HOCLYGCPSA-N 1 3 284.513 3.372 20 0 CGADHO CC1(C)CCC[C@H](N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC001246617709 804452138 /nfs/dbraw/zinc/45/21/38/804452138.db2.gz DSKKEMWBBGBFIJ-GOEBONIOSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1ccc(C[C@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246623610 804454918 /nfs/dbraw/zinc/45/49/18/804454918.db2.gz AWMBIEOANFNTGL-WMZOPIPTSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccc(C[C@@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246623607 804455898 /nfs/dbraw/zinc/45/58/98/804455898.db2.gz AWMBIEOANFNTGL-AEFFLSMTSA-N 1 3 272.436 3.002 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627860 804458372 /nfs/dbraw/zinc/45/83/72/804458372.db2.gz AOZUEHCJBNRLAL-XWTMOSNGSA-N 1 3 270.420 3.149 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC3(CCCc4ccccc43)CC2)CCN1 ZINC001246628209 804458999 /nfs/dbraw/zinc/45/89/99/804458999.db2.gz WWSCZMRERICLJP-SJLPKXTDSA-N 1 3 298.474 3.497 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCC23CCNCC3)cc1 ZINC001246643196 804470235 /nfs/dbraw/zinc/47/02/35/804470235.db2.gz RKLHDWFLRLSTCK-MRXNPFEDSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCC23CCNCC3)cc1 ZINC001246643196 804470239 /nfs/dbraw/zinc/47/02/39/804470239.db2.gz RKLHDWFLRLSTCK-MRXNPFEDSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[C@@H](C)N2CCC23CC[NH2+]CC3)cc1 ZINC001246643196 804470243 /nfs/dbraw/zinc/47/02/43/804470243.db2.gz RKLHDWFLRLSTCK-MRXNPFEDSA-N 1 3 272.436 3.144 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246643833 804470914 /nfs/dbraw/zinc/47/09/14/804470914.db2.gz VKKIDUKXVWJOGL-KBPBESRZSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246643833 804470918 /nfs/dbraw/zinc/47/09/18/804470918.db2.gz VKKIDUKXVWJOGL-KBPBESRZSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC23CCNCC3)C[C@@H]1C ZINC001246646201 804473486 /nfs/dbraw/zinc/47/34/86/804473486.db2.gz PACPLOQRUHFBIT-ILXRZTDVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCCC23CCNCC3)C[C@@H]1C ZINC001246646201 804473491 /nfs/dbraw/zinc/47/34/91/804473491.db2.gz PACPLOQRUHFBIT-ILXRZTDVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654186 804480774 /nfs/dbraw/zinc/48/07/74/804480774.db2.gz VNXMPKVBHNJTNV-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654186 804480778 /nfs/dbraw/zinc/48/07/78/804480778.db2.gz VNXMPKVBHNJTNV-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2CNCC[C@H]21 ZINC001246669530 804488399 /nfs/dbraw/zinc/48/83/99/804488399.db2.gz BDWSGVXNZYQRQF-KZNAEPCWSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CNCC[C@H]21 ZINC001246669530 804488403 /nfs/dbraw/zinc/48/84/03/804488403.db2.gz BDWSGVXNZYQRQF-KZNAEPCWSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246669530 804488407 /nfs/dbraw/zinc/48/84/07/804488407.db2.gz BDWSGVXNZYQRQF-KZNAEPCWSA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675890 804490355 /nfs/dbraw/zinc/49/03/55/804490355.db2.gz YVJKZBVXSAVLCU-CGTJXYLNSA-N 1 3 272.436 3.038 20 0 CGADHO CC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675890 804490359 /nfs/dbraw/zinc/49/03/59/804490359.db2.gz YVJKZBVXSAVLCU-CGTJXYLNSA-N 1 3 272.436 3.038 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246680783 804494797 /nfs/dbraw/zinc/49/47/97/804494797.db2.gz LFNOGNJVSJIVHA-ZOBUZTSGSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246680783 804494800 /nfs/dbraw/zinc/49/48/00/804494800.db2.gz LFNOGNJVSJIVHA-ZOBUZTSGSA-N 1 3 258.409 3.272 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](C1CCCCCCC1)C2 ZINC001246690645 804497017 /nfs/dbraw/zinc/49/70/17/804497017.db2.gz KYBIPEPOZMBTIR-HZPDHXFCSA-N 1 3 268.420 3.123 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690645 804497020 /nfs/dbraw/zinc/49/70/20/804497020.db2.gz KYBIPEPOZMBTIR-HZPDHXFCSA-N 1 3 268.420 3.123 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246692184 804499378 /nfs/dbraw/zinc/49/93/78/804499378.db2.gz MZOFIMHQMBGUFA-ARFHVFGLSA-N 1 3 270.436 3.225 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246692184 804499380 /nfs/dbraw/zinc/49/93/80/804499380.db2.gz MZOFIMHQMBGUFA-ARFHVFGLSA-N 1 3 270.436 3.225 20 0 CGADHO C[NH2+]CC[C@H](C)N(C)Cc1cccc2ccccc21 ZINC001246773359 804504643 /nfs/dbraw/zinc/50/46/43/804504643.db2.gz BMQXEEYVPOPTCL-AWEZNQCLSA-N 1 3 256.393 3.270 20 0 CGADHO CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246774735 804504738 /nfs/dbraw/zinc/50/47/38/804504738.db2.gz GNVJQMACHGAXIJ-DLBZAZTESA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](CC)C1 ZINC001246774735 804504742 /nfs/dbraw/zinc/50/47/42/804504742.db2.gz GNVJQMACHGAXIJ-DLBZAZTESA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](CC)C1 ZINC001246774735 804504745 /nfs/dbraw/zinc/50/47/45/804504745.db2.gz GNVJQMACHGAXIJ-DLBZAZTESA-N 1 3 260.425 3.429 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773631 804505024 /nfs/dbraw/zinc/50/50/24/804505024.db2.gz BVVVPSIVUFGVFK-SZMVWBNQSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773631 804505027 /nfs/dbraw/zinc/50/50/27/804505027.db2.gz BVVVPSIVUFGVFK-SZMVWBNQSA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246774482 804505274 /nfs/dbraw/zinc/50/52/74/804505274.db2.gz GERVQQHWHAZRJZ-OTWHNJEPSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246774482 804505275 /nfs/dbraw/zinc/50/52/75/804505275.db2.gz GERVQQHWHAZRJZ-OTWHNJEPSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCC[C@H](c3ccccc3)C2)C[C@@H](C)N1 ZINC001246779248 804505906 /nfs/dbraw/zinc/50/59/06/804505906.db2.gz QXCSGBRPHFSCTL-INMHGKMJSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]1CC([N@H+]2CCC[C@H](c3ccccc3)C2)C[C@@H](C)N1 ZINC001246779248 804505910 /nfs/dbraw/zinc/50/59/10/804505910.db2.gz QXCSGBRPHFSCTL-INMHGKMJSA-N 1 3 272.436 3.395 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@H]2C)CCN1 ZINC001246792279 804516009 /nfs/dbraw/zinc/51/60/09/804516009.db2.gz UHYZCIULRFSFGY-ZJIFWQFVSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H]2C)CCN1 ZINC001246792279 804516014 /nfs/dbraw/zinc/51/60/14/804516014.db2.gz UHYZCIULRFSFGY-ZJIFWQFVSA-N 1 3 252.446 3.418 20 0 CGADHO CN(CCc1cccs1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246796906 804519943 /nfs/dbraw/zinc/51/99/43/804519943.db2.gz NTNQZGKDDOWWTG-HIFRSBDPSA-N 1 3 280.481 3.389 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CCC([NH2+]C)CC1 ZINC001246805912 804524694 /nfs/dbraw/zinc/52/46/94/804524694.db2.gz LGQLBBFHRLRTFM-GOSISDBHSA-N 1 3 274.452 3.472 20 0 CGADHO Cc1ccc(CCN(C)[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246812005 804528074 /nfs/dbraw/zinc/52/80/74/804528074.db2.gz BRUBYIZSLXSGDI-QGZVFWFLSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[N@@H+](C)[C@@H]2CCNC3(CCC3)C2)cc1 ZINC001246812005 804528077 /nfs/dbraw/zinc/52/80/77/804528077.db2.gz BRUBYIZSLXSGDI-QGZVFWFLSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[N@H+](C)[C@@H]2CCNC3(CCC3)C2)cc1 ZINC001246812005 804528080 /nfs/dbraw/zinc/52/80/80/804528080.db2.gz BRUBYIZSLXSGDI-QGZVFWFLSA-N 1 3 272.436 3.144 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246837502 804546823 /nfs/dbraw/zinc/54/68/23/804546823.db2.gz USYFTDKTVQYIAM-HZPDHXFCSA-N 1 3 284.488 3.292 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246837502 804546825 /nfs/dbraw/zinc/54/68/25/804546825.db2.gz USYFTDKTVQYIAM-HZPDHXFCSA-N 1 3 284.488 3.292 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2C[C@H](C)C[C@@H](C)C2)CCN1 ZINC001246842011 804549625 /nfs/dbraw/zinc/54/96/25/804549625.db2.gz SMBIXBWNCUTSCM-KLHDSHLOSA-N 1 3 252.446 3.275 20 0 CGADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841251 804550961 /nfs/dbraw/zinc/55/09/61/804550961.db2.gz NLQZIFOKFRMGLD-HIFRSBDPSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841251 804550964 /nfs/dbraw/zinc/55/09/64/804550964.db2.gz NLQZIFOKFRMGLD-HIFRSBDPSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841251 804550967 /nfs/dbraw/zinc/55/09/67/804550967.db2.gz NLQZIFOKFRMGLD-HIFRSBDPSA-N 1 3 292.854 3.129 20 0 CGADHO CC[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246845364 804553580 /nfs/dbraw/zinc/55/35/80/804553580.db2.gz FULWVFSPUHKNGV-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246845364 804553588 /nfs/dbraw/zinc/55/35/88/804553588.db2.gz FULWVFSPUHKNGV-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1CC([N@H+](C)C[C@H]2CC2(C)C)C[C@@H](CC)N1 ZINC001246847317 804555382 /nfs/dbraw/zinc/55/53/82/804555382.db2.gz SWXHINZKHSQRTG-MGPQQGTHSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1CC([N@@H+](C)C[C@H]2CC2(C)C)C[C@@H](CC)N1 ZINC001246847317 804555384 /nfs/dbraw/zinc/55/53/84/804555384.db2.gz SWXHINZKHSQRTG-MGPQQGTHSA-N 1 3 252.446 3.274 20 0 CGADHO C1CCC2(C1)CCC([N@H+]1C[C@H]3CNCC[C@@H]3C1)CC2 ZINC001246847718 804557387 /nfs/dbraw/zinc/55/73/87/804557387.db2.gz RTTHYGFVFOEHRM-HUUCEWRRSA-N 1 3 262.441 3.031 20 0 CGADHO C1CCC2(C1)CCC([N@@H+]1C[C@H]3CNCC[C@@H]3C1)CC2 ZINC001246847718 804557391 /nfs/dbraw/zinc/55/73/91/804557391.db2.gz RTTHYGFVFOEHRM-HUUCEWRRSA-N 1 3 262.441 3.031 20 0 CGADHO c1ccc(C2CCC([N@H+]3C[C@H]4CNCC[C@@H]4C3)CC2)cc1 ZINC001246849238 804560659 /nfs/dbraw/zinc/56/06/59/804560659.db2.gz ZCVQAWAABWKEHR-QGLXBCBXSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc(C2CCC([N@@H+]3C[C@H]4CNCC[C@@H]4C3)CC2)cc1 ZINC001246849238 804560662 /nfs/dbraw/zinc/56/06/62/804560662.db2.gz ZCVQAWAABWKEHR-QGLXBCBXSA-N 1 3 284.447 3.254 20 0 CGADHO C[C@H]1CN([C@H]2CCC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC001246871327 804573255 /nfs/dbraw/zinc/57/32/55/804573255.db2.gz QBPRBLIBSGZQRK-BBRMVZONSA-N 1 3 292.854 3.444 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](CC2CC2)C2CC2)C[C@H](CC)N1 ZINC001246910886 804594614 /nfs/dbraw/zinc/59/46/14/804594614.db2.gz DTFOYNLMBVVPRO-FOLVSLTJSA-N 1 3 250.430 3.170 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)C[C@H](CC)N1 ZINC001246910886 804594616 /nfs/dbraw/zinc/59/46/16/804594616.db2.gz DTFOYNLMBVVPRO-FOLVSLTJSA-N 1 3 250.430 3.170 20 0 CGADHO CCN(Cc1ccc(C)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246910561 804595566 /nfs/dbraw/zinc/59/55/66/804595566.db2.gz UWZNZPLKFQUMEA-GJZGRUSLSA-N 1 3 260.425 3.346 20 0 CGADHO C([C@H]1CCCNC1)[N@H+](C1CCCC1)C1CCSCC1 ZINC001246931391 804607598 /nfs/dbraw/zinc/60/75/98/804607598.db2.gz BBQJVOBRICSOSK-AWEZNQCLSA-N 1 3 282.497 3.126 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+](C1CCCC1)C1CCSCC1 ZINC001246931391 804607603 /nfs/dbraw/zinc/60/76/03/804607603.db2.gz BBQJVOBRICSOSK-AWEZNQCLSA-N 1 3 282.497 3.126 20 0 CGADHO c1ccc2c(c1)CC([N@H+](C[C@@H]1CCCNC1)C1CCCC1)C2 ZINC001246936693 804609211 /nfs/dbraw/zinc/60/92/11/804609211.db2.gz XWRKDFXYWGZCGI-MRXNPFEDSA-N 1 3 298.474 3.398 20 0 CGADHO c1ccc2c(c1)CC([N@@H+](C[C@@H]1CCCNC1)C1CCCC1)C2 ZINC001246936693 804609214 /nfs/dbraw/zinc/60/92/14/804609214.db2.gz XWRKDFXYWGZCGI-MRXNPFEDSA-N 1 3 298.474 3.398 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccccc1Cl ZINC001246944192 804612266 /nfs/dbraw/zinc/61/22/66/804612266.db2.gz UWAJYOQBXZKASF-KGLIPLIRSA-N 1 3 280.843 3.202 20 0 CGADHO CC[C@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952042 804616119 /nfs/dbraw/zinc/61/61/19/804616119.db2.gz QWUBBEOEUPJGJS-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952042 804616120 /nfs/dbraw/zinc/61/61/20/804616120.db2.gz QWUBBEOEUPJGJS-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@H](C)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246952042 804616123 /nfs/dbraw/zinc/61/61/23/804616123.db2.gz QWUBBEOEUPJGJS-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@H](C)[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246959968 804618392 /nfs/dbraw/zinc/61/83/92/804618392.db2.gz KIJIKVXPIDMQAY-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246959968 804618393 /nfs/dbraw/zinc/61/83/93/804618393.db2.gz KIJIKVXPIDMQAY-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246972511 804621972 /nfs/dbraw/zinc/62/19/72/804621972.db2.gz JYQOYRBSRARPCD-ZIAGYGMSSA-N 1 3 284.513 3.371 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246972511 804621976 /nfs/dbraw/zinc/62/19/76/804621976.db2.gz JYQOYRBSRARPCD-ZIAGYGMSSA-N 1 3 284.513 3.371 20 0 CGADHO CCc1ccc(C[C@H](C)N2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015212 804643038 /nfs/dbraw/zinc/64/30/38/804643038.db2.gz NKAXISPYISSLII-KFKAGJAMSA-N 1 3 286.463 3.254 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247017092 804644611 /nfs/dbraw/zinc/64/46/11/804644611.db2.gz ZMHVCNKCSKATNR-UKPHBRMFSA-N 1 3 292.854 3.345 20 0 CGADHO Cc1c2[nH]cnc2ccc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165279850 806986051 /nfs/dbraw/zinc/98/60/51/806986051.db2.gz ZWAQJEBRLSQLTB-CYBMUJFWSA-N 1 3 272.396 3.015 20 0 CGADHO Cc1c2[nH]cnc2ccc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165279850 806986053 /nfs/dbraw/zinc/98/60/53/806986053.db2.gz ZWAQJEBRLSQLTB-CYBMUJFWSA-N 1 3 272.396 3.015 20 0 CGADHO CCC1CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001256869452 806994645 /nfs/dbraw/zinc/99/46/45/806994645.db2.gz JKMVESUYYCJODW-VNGAXPGBSA-N 1 3 294.483 3.188 20 0 CGADHO CCCC(CCC)[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001257339066 807115198 /nfs/dbraw/zinc/11/51/98/807115198.db2.gz HMHQKVQQOKTNKQ-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1ccc2c(ccc(C)c2CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001167100895 807150413 /nfs/dbraw/zinc/15/04/13/807150413.db2.gz QBHUFIIMQOKCFJ-IRXDYDNUSA-N 1 3 280.415 3.108 20 0 CGADHO CCCCC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257505718 807184392 /nfs/dbraw/zinc/18/43/92/807184392.db2.gz XWJUQNWHYSZUOC-MRXNPFEDSA-N 1 3 296.499 3.436 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCc2ncsc2C1 ZINC001167837498 807259463 /nfs/dbraw/zinc/25/94/63/807259463.db2.gz LNODXVWEPQJDJG-ZDUSSCGKSA-N 1 3 281.469 3.012 20 0 CGADHO C[C@@H](CN)C[N@H+](C)C1CCC(c2ccccc2)CC1 ZINC001257994489 807260429 /nfs/dbraw/zinc/26/04/29/807260429.db2.gz NHAFELZBWFVHLS-OOHWJJMZSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)C1CCC(c2ccccc2)CC1 ZINC001257994489 807260435 /nfs/dbraw/zinc/26/04/35/807260435.db2.gz NHAFELZBWFVHLS-OOHWJJMZSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H]1CC[C@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982051 807289889 /nfs/dbraw/zinc/28/98/89/807289889.db2.gz UUCHBXMTEGVBIN-MELXAWMUSA-N 1 3 276.468 3.416 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095389 807304728 /nfs/dbraw/zinc/30/47/28/807304728.db2.gz FPAXRQFSIPLZIH-YESZJQIVSA-N 1 3 264.457 3.395 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095389 807304736 /nfs/dbraw/zinc/30/47/36/807304736.db2.gz FPAXRQFSIPLZIH-YESZJQIVSA-N 1 3 264.457 3.395 20 0 CGADHO [NH3+][C@H]1CCN(C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334794 807388009 /nfs/dbraw/zinc/38/80/09/807388009.db2.gz WZEMGQKUTICNPT-SIWZUTFBSA-N 1 3 278.827 3.399 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1 ZINC001168351374 807390393 /nfs/dbraw/zinc/39/03/93/807390393.db2.gz RBXYWWSEXLIXBS-ZDUSSCGKSA-N 1 3 276.399 3.351 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168353501 807390742 /nfs/dbraw/zinc/39/07/42/807390742.db2.gz PLWWKAUMOBGJHK-CQSZACIVSA-N 1 3 288.435 3.220 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258306319 807404515 /nfs/dbraw/zinc/40/45/15/807404515.db2.gz NAOPLEOSDSSQNL-OLZOCXBDSA-N 1 3 284.469 3.254 20 0 CGADHO CSC(C)(C)C[C@@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001258330426 807412942 /nfs/dbraw/zinc/41/29/42/807412942.db2.gz AMYRDQATZJAOIE-CQSZACIVSA-N 1 3 293.480 3.124 20 0 CGADHO COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001258391428 807436723 /nfs/dbraw/zinc/43/67/23/807436723.db2.gz ZVZLVJVQPRJKHK-WBVHZDCISA-N 1 3 290.451 3.090 20 0 CGADHO COc1ccc(C2([NH3+])CCN([C@H](C)CC3CC3)CC2)cc1 ZINC001258456841 807461396 /nfs/dbraw/zinc/46/13/96/807461396.db2.gz QUZWYMLAKYWODE-CQSZACIVSA-N 1 3 288.435 3.134 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCN(c3ccncc3)CC2)CC(C)(C)C1 ZINC001258694348 807549095 /nfs/dbraw/zinc/54/90/95/807549095.db2.gz PQLXCVFEXWSUPU-RDJZCZTQSA-N 1 3 287.451 3.418 20 0 CGADHO CC[NH+]1CCC(NCc2ccccc2-c2cccnc2)CC1 ZINC001169229941 807609956 /nfs/dbraw/zinc/60/99/56/807609956.db2.gz MIKOKUKBSMJQQJ-UHFFFAOYSA-N 1 3 295.430 3.323 20 0 CGADHO Cc1ccc(-c2ccccc2)c(N[C@H](N)CCC[NH3+])c1 ZINC001170901339 807928145 /nfs/dbraw/zinc/92/81/45/807928145.db2.gz ZMUZSFUBFHWTOR-KRWDZBQOSA-N 1 3 269.392 3.098 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170897483 807928250 /nfs/dbraw/zinc/92/82/50/807928250.db2.gz OOXFHNNJCJZTEO-CQSZACIVSA-N 1 3 280.843 3.257 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170897483 807928253 /nfs/dbraw/zinc/92/82/53/807928253.db2.gz OOXFHNNJCJZTEO-CQSZACIVSA-N 1 3 280.843 3.257 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170957196 807945225 /nfs/dbraw/zinc/94/52/25/807945225.db2.gz LREAHVZZNCDIMF-MRXNPFEDSA-N 1 3 292.442 3.395 20 0 CGADHO CCCC[N@H+](C)CCCN[C@@H]1CCc2cccc(F)c2C1 ZINC001170957196 807945231 /nfs/dbraw/zinc/94/52/31/807945231.db2.gz LREAHVZZNCDIMF-MRXNPFEDSA-N 1 3 292.442 3.395 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@@H]1CCc2cccc(F)c2C1 ZINC001170957196 807945237 /nfs/dbraw/zinc/94/52/37/807945237.db2.gz LREAHVZZNCDIMF-MRXNPFEDSA-N 1 3 292.442 3.395 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073782 807978554 /nfs/dbraw/zinc/97/85/54/807978554.db2.gz HZXJREYADSLBKD-BYCMXARLSA-N 1 3 299.245 3.320 20 0 CGADHO C[NH+]1C(C)(C)CC(NCCc2ccccc2O)CC1(C)C ZINC001171622927 808106695 /nfs/dbraw/zinc/10/66/95/808106695.db2.gz CXTLCLJIIJRGRP-UHFFFAOYSA-N 1 3 290.451 3.176 20 0 CGADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@H]1Cc2cccc(F)c2C1 ZINC001171775147 808135585 /nfs/dbraw/zinc/13/55/85/808135585.db2.gz IJKKTGQRWFZCNH-AWEZNQCLSA-N 1 3 290.426 3.273 20 0 CGADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171775147 808135587 /nfs/dbraw/zinc/13/55/87/808135587.db2.gz IJKKTGQRWFZCNH-AWEZNQCLSA-N 1 3 290.426 3.273 20 0 CGADHO Cn1c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc2ccccc21 ZINC001172100219 808171735 /nfs/dbraw/zinc/17/17/35/808171735.db2.gz BIMMPNLFQGPYGY-OSYLJGHBSA-N 1 3 297.446 3.283 20 0 CGADHO Cc1cccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172113756 808180532 /nfs/dbraw/zinc/18/05/32/808180532.db2.gz LKKUSWKXVWEMQJ-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1cccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172113756 808180534 /nfs/dbraw/zinc/18/05/34/808180534.db2.gz LKKUSWKXVWEMQJ-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126823 808185268 /nfs/dbraw/zinc/18/52/68/808185268.db2.gz YKRSRBIVMXHLOE-BCDXTJNWSA-N 1 3 288.410 3.199 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3ccc(F)cc3C1)C2 ZINC001172126823 808185272 /nfs/dbraw/zinc/18/52/72/808185272.db2.gz YKRSRBIVMXHLOE-BCDXTJNWSA-N 1 3 288.410 3.199 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C3CCCC1CCC3)C2 ZINC001172127002 808186883 /nfs/dbraw/zinc/18/68/83/808186883.db2.gz FQBPEIWDHPPHAN-NDQLQDMOSA-N 1 3 262.441 3.409 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@H]1C ZINC001172370604 808265443 /nfs/dbraw/zinc/26/54/43/808265443.db2.gz PTECZSVRNJEQBY-HSFUPAIVSA-N 1 3 294.483 3.044 20 0 CGADHO CCOCC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172413862 808299802 /nfs/dbraw/zinc/29/98/02/808299802.db2.gz KTGXYYYPALCFER-CYBMUJFWSA-N 1 3 270.461 3.043 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550290 808379595 /nfs/dbraw/zinc/37/95/95/808379595.db2.gz DMNIRRJDSAQQHF-FGTMMUONSA-N 1 3 272.436 3.397 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172727212 808422417 /nfs/dbraw/zinc/42/24/17/808422417.db2.gz VDUFGMIIFUZIPB-CVEARBPZSA-N 1 3 276.468 3.373 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)C[C@@H]2C1 ZINC001172727212 808422420 /nfs/dbraw/zinc/42/24/20/808422420.db2.gz VDUFGMIIFUZIPB-CVEARBPZSA-N 1 3 276.468 3.373 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H]1CCCN1C ZINC001172855833 808463242 /nfs/dbraw/zinc/46/32/42/808463242.db2.gz HZHSKMLFKPCNTH-SWLSCSKDSA-N 1 3 298.833 3.484 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([NH+]3CCC(OC)CC3)CC2)C1 ZINC001173283488 808584501 /nfs/dbraw/zinc/58/45/01/808584501.db2.gz LZTIOPBHVXHKEZ-NVXWUHKLSA-N 1 3 294.483 3.140 20 0 CGADHO CCSC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001173297980 808598123 /nfs/dbraw/zinc/59/81/23/808598123.db2.gz ITVGLSYRSPXTKU-CQSZACIVSA-N 1 3 284.513 3.372 20 0 CGADHO CCSC[C@@H](C)NC1CC[NH+](CC2CCCC2)CC1 ZINC001173297980 808598125 /nfs/dbraw/zinc/59/81/25/808598125.db2.gz ITVGLSYRSPXTKU-CQSZACIVSA-N 1 3 284.513 3.372 20 0 CGADHO CCSC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001173297978 808598362 /nfs/dbraw/zinc/59/83/62/808598362.db2.gz ITVGLSYRSPXTKU-AWEZNQCLSA-N 1 3 284.513 3.372 20 0 CGADHO CCSC[C@H](C)NC1CC[NH+](CC2CCCC2)CC1 ZINC001173297978 808598365 /nfs/dbraw/zinc/59/83/65/808598365.db2.gz ITVGLSYRSPXTKU-AWEZNQCLSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCCC2(CCCCC2)C1 ZINC001173338487 808618488 /nfs/dbraw/zinc/61/84/88/808618488.db2.gz AOOSFMMRXMSYAO-GJZGRUSLSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCCC2(CCCCC2)C1 ZINC001173338487 808618493 /nfs/dbraw/zinc/61/84/93/808618493.db2.gz AOOSFMMRXMSYAO-GJZGRUSLSA-N 1 3 252.446 3.406 20 0 CGADHO Cc1ccc(CN2CCC3(CC[N@@H+](C)C3)CC2)cc1F ZINC001276233463 808994458 /nfs/dbraw/zinc/99/44/58/808994458.db2.gz ZGXPPTCOOFEKHK-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)cc1F ZINC001276233463 808994462 /nfs/dbraw/zinc/99/44/62/808994462.db2.gz ZGXPPTCOOFEKHK-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CC1(c3ccccc3)CC1)C2 ZINC001276424708 809007620 /nfs/dbraw/zinc/00/76/20/809007620.db2.gz MPSKHYWIWZRVLL-SFHVURJKSA-N 1 3 284.447 3.136 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CC1(c3ccccc3)CC1)C2 ZINC001276424708 809007628 /nfs/dbraw/zinc/00/76/28/809007628.db2.gz MPSKHYWIWZRVLL-SFHVURJKSA-N 1 3 284.447 3.136 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CC[C@H]2[C@@H]1CCN2C1CCCC1 ZINC001276764308 809029649 /nfs/dbraw/zinc/02/96/49/809029649.db2.gz KSOCMTWMKGDWPT-MGGVOPSTSA-N 1 3 286.463 3.290 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@H]2[C@@H]1CCN2C1CCCC1 ZINC001276764308 809029657 /nfs/dbraw/zinc/02/96/57/809029657.db2.gz KSOCMTWMKGDWPT-MGGVOPSTSA-N 1 3 286.463 3.290 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@@H+]2[C@@H]2CCO[C@H](C)C2)CC1 ZINC001175352719 809374065 /nfs/dbraw/zinc/37/40/65/809374065.db2.gz RBAPJJRWLPWCTO-KZNAEPCWSA-N 1 3 294.483 3.140 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@H+]2[C@@H]2CCO[C@H](C)C2)CC1 ZINC001175352719 809374071 /nfs/dbraw/zinc/37/40/71/809374071.db2.gz RBAPJJRWLPWCTO-KZNAEPCWSA-N 1 3 294.483 3.140 20 0 CGADHO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1 ZINC001179814981 809947697 /nfs/dbraw/zinc/94/76/97/809947697.db2.gz CCUUARBFFFVATJ-KZNAEPCWSA-N 1 3 272.436 3.240 20 0 CGADHO CCN(CC)CCC[N@H+](CC)CC1CCSCC1 ZINC001181506029 810056953 /nfs/dbraw/zinc/05/69/53/810056953.db2.gz NFHWFNIDFYBTRW-UHFFFAOYSA-N 1 3 272.502 3.183 20 0 CGADHO CC(C)c1ccccc1CNC[C@H]1C[NH+]2CCC1CC2 ZINC001184136068 810178826 /nfs/dbraw/zinc/17/88/26/810178826.db2.gz ZQFXZIRCBKZYJI-KRWDZBQOSA-N 1 3 272.436 3.241 20 0 CGADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001184136068 810178828 /nfs/dbraw/zinc/17/88/28/810178828.db2.gz ZQFXZIRCBKZYJI-KRWDZBQOSA-N 1 3 272.436 3.241 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001184418423 810198424 /nfs/dbraw/zinc/19/84/24/810198424.db2.gz OMALBJWKEXBAET-CRAIPNDOSA-N 1 3 274.452 3.254 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001195213828 811226470 /nfs/dbraw/zinc/22/64/70/811226470.db2.gz JGFQTROBSOHSRW-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001195213828 811226479 /nfs/dbraw/zinc/22/64/79/811226479.db2.gz JGFQTROBSOHSRW-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@H](CC(C)(C)C)C1 ZINC001195213828 811226488 /nfs/dbraw/zinc/22/64/88/811226488.db2.gz JGFQTROBSOHSRW-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001197031579 811390526 /nfs/dbraw/zinc/39/05/26/811390526.db2.gz MHPHQHUTUQNFGO-ZMYBRWDISA-N 1 3 284.447 3.262 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC001197031579 811390535 /nfs/dbraw/zinc/39/05/35/811390535.db2.gz MHPHQHUTUQNFGO-ZMYBRWDISA-N 1 3 284.447 3.262 20 0 CGADHO Cc1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)o1 ZINC001203293876 812297404 /nfs/dbraw/zinc/29/74/04/812297404.db2.gz IDWHUYZMCGQIEP-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1ccccc1C[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001203709598 812435397 /nfs/dbraw/zinc/43/53/97/812435397.db2.gz JLPAOOXNVMWZLG-UHFFFAOYSA-N 1 3 290.426 3.393 20 0 CGADHO Clc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001204735389 812719847 /nfs/dbraw/zinc/71/98/47/812719847.db2.gz SDWLIBKTODPQFC-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO CC1(C)[NH2+][C@@H](CCN2CCC3(CCCCC3)CC2)CO1 ZINC001205170929 812897358 /nfs/dbraw/zinc/89/73/58/812897358.db2.gz GRSFZSCEZHGJKF-HNNXBMFYSA-N 1 3 280.456 3.147 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205263464 812920097 /nfs/dbraw/zinc/92/00/97/812920097.db2.gz AAPZUKAVNPAOQN-AWEZNQCLSA-N 1 3 286.341 3.409 20 0 CGADHO CC(C)Oc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205266950 812923352 /nfs/dbraw/zinc/92/33/52/812923352.db2.gz YSKTUJPVMVWLAW-QGZVFWFLSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@@H]1CCN(Cc2ccc3ccsc3c2)C[C@H]1C[NH3+] ZINC001205303825 812942293 /nfs/dbraw/zinc/94/22/93/812942293.db2.gz LCLGSWZQGNBDEV-IUODEOHRSA-N 1 3 274.433 3.318 20 0 CGADHO [NH3+]C[C@@]1(F)CCCN(Cc2cc(Cl)cs2)CC1 ZINC001205580139 813011230 /nfs/dbraw/zinc/01/12/30/813011230.db2.gz QMIQWZBCFSBTNF-GFCCVEGCSA-N 1 3 276.808 3.054 20 0 CGADHO C[C@@H]1CCN(Cc2cc(Cl)ccc2F)CC[C@H]1C[NH3+] ZINC001205602220 813017357 /nfs/dbraw/zinc/01/73/57/813017357.db2.gz HTCKYODKOCDENL-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2cc(Cl)ccc2F)CC[C@@H]1C[NH3+] ZINC001205602221 813018432 /nfs/dbraw/zinc/01/84/32/813018432.db2.gz HTCKYODKOCDENL-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)CC[C@H]1C[NH3+] ZINC001205618513 813029422 /nfs/dbraw/zinc/02/94/22/813029422.db2.gz WSESOFOKIHAQCF-YPMHNXCESA-N 1 3 284.806 3.286 20 0 CGADHO Cc1cc(F)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205639164 813037422 /nfs/dbraw/zinc/03/74/22/813037422.db2.gz WTAZEGKTURFEBO-CHWSQXEVSA-N 1 3 282.378 3.080 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205862827 813112747 /nfs/dbraw/zinc/11/27/47/813112747.db2.gz AFZOUOMREXMALT-OAGGEKHMSA-N 1 3 284.488 3.277 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205862827 813112751 /nfs/dbraw/zinc/11/27/51/813112751.db2.gz AFZOUOMREXMALT-OAGGEKHMSA-N 1 3 284.488 3.277 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923034 813135366 /nfs/dbraw/zinc/13/53/66/813135366.db2.gz GYDFSWVJZRQTHX-CVEARBPZSA-N 1 3 290.451 3.341 20 0 CGADHO C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001205995897 813156727 /nfs/dbraw/zinc/15/67/27/813156727.db2.gz RPWXWMHTQVJPOI-WCQYABFASA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CN(Cc2cc(F)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001205995763 813157448 /nfs/dbraw/zinc/15/74/48/813157448.db2.gz QAZLQLWHOZSKMD-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036419 813175521 /nfs/dbraw/zinc/17/55/21/813175521.db2.gz JIBJLVKADOHOOB-XABYNWHXSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036419 813175527 /nfs/dbraw/zinc/17/55/27/813175527.db2.gz JIBJLVKADOHOOB-XABYNWHXSA-N 1 3 278.827 3.113 20 0 CGADHO CC(C)(C)c1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206164855 813222343 /nfs/dbraw/zinc/22/23/43/813222343.db2.gz LNTFAZRHCFHYBG-HOTGVXAUSA-N 1 3 278.415 3.245 20 0 CGADHO CSc1ccccc1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563664 813354398 /nfs/dbraw/zinc/35/43/98/813354398.db2.gz GQHYDSXHKNOGAK-INIZCTEOSA-N 1 3 278.465 3.359 20 0 CGADHO CC(C)N(Cc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206583817 813363648 /nfs/dbraw/zinc/36/36/48/813363648.db2.gz WWLGMJMHQSSVJT-MRXNPFEDSA-N 1 3 264.388 3.178 20 0 CGADHO Cc1ccc(F)cc1CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206589988 813366563 /nfs/dbraw/zinc/36/65/63/813366563.db2.gz KBEWNMNWSCGOJF-QGZVFWFLSA-N 1 3 278.415 3.487 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@H](CN)CC[C@@H]2C)C1(C)C ZINC001206760732 813426292 /nfs/dbraw/zinc/42/62/92/813426292.db2.gz KURIEGGGKLXBKW-HRCADAONSA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@H](CN)CC[C@@H]2C)C1(C)C ZINC001206760732 813426296 /nfs/dbraw/zinc/42/62/96/813426296.db2.gz KURIEGGGKLXBKW-HRCADAONSA-N 1 3 264.457 3.428 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCCCCc1ccccc1 ZINC001206761068 813426531 /nfs/dbraw/zinc/42/65/31/813426531.db2.gz SLXAXXZJYDFCAP-SJLPKXTDSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCCCCc1ccccc1 ZINC001206761068 813426534 /nfs/dbraw/zinc/42/65/34/813426534.db2.gz SLXAXXZJYDFCAP-SJLPKXTDSA-N 1 3 274.452 3.459 20 0 CGADHO CCCc1ccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)s1 ZINC001206769683 813431794 /nfs/dbraw/zinc/43/17/94/813431794.db2.gz PGCXDHSPFOICCQ-QWHCGFSZSA-N 1 3 266.454 3.260 20 0 CGADHO CN(CC(C)(C)C[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC001207283641 813533928 /nfs/dbraw/zinc/53/39/28/813533928.db2.gz BPXIREIKTAOZJW-MRXNPFEDSA-N 1 3 260.425 3.194 20 0 CGADHO CC1(C)C[C@H](CN2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001207350641 813546146 /nfs/dbraw/zinc/54/61/46/813546146.db2.gz QGTSQLGOAAYRLX-MRXNPFEDSA-N 1 3 294.483 3.142 20 0 CGADHO CC1(C)C[C@H](C[NH+]2CCC(N3CCCCC3)CC2)CCO1 ZINC001207350641 813546152 /nfs/dbraw/zinc/54/61/52/813546152.db2.gz QGTSQLGOAAYRLX-MRXNPFEDSA-N 1 3 294.483 3.142 20 0 CGADHO CC1(C)C[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC001207365773 813551827 /nfs/dbraw/zinc/55/18/27/813551827.db2.gz NEEAWOJBIUYJNV-INIZCTEOSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@H+](C[C@@H]1CCCOC1)C1CCN(C2CCCCC2)CC1 ZINC001207470378 813571459 /nfs/dbraw/zinc/57/14/59/813571459.db2.gz UTEAGEUORRLFSK-INIZCTEOSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@@H+](C[C@@H]1CCCOC1)C1CCN(C2CCCCC2)CC1 ZINC001207470378 813571464 /nfs/dbraw/zinc/57/14/64/813571464.db2.gz UTEAGEUORRLFSK-INIZCTEOSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1cccc(CCN2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001207554941 813594277 /nfs/dbraw/zinc/59/42/77/813594277.db2.gz VEFMXCAVTYXTFY-UHFFFAOYSA-N 1 3 295.430 3.063 20 0 CGADHO CCC1(C)CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001207835344 813656647 /nfs/dbraw/zinc/65/66/47/813656647.db2.gz BEVATHDADMYHBI-OWUKFGMTSA-N 1 3 264.457 3.275 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605972 813771067 /nfs/dbraw/zinc/77/10/67/813771067.db2.gz CSLVUIDSTDVEMH-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001208605972 813771069 /nfs/dbraw/zinc/77/10/69/813771069.db2.gz CSLVUIDSTDVEMH-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO c1ccc2c(c1)CC[N@@H+](C1CCN(CCC3CC3)CC1)C2 ZINC001208685122 813794885 /nfs/dbraw/zinc/79/48/85/813794885.db2.gz SLDSMOHWKHVORT-UHFFFAOYSA-N 1 3 284.447 3.309 20 0 CGADHO c1ccc2c(c1)CC[N@H+](C1CCN(CCC3CC3)CC1)C2 ZINC001208685122 813794890 /nfs/dbraw/zinc/79/48/90/813794890.db2.gz SLDSMOHWKHVORT-UHFFFAOYSA-N 1 3 284.447 3.309 20 0 CGADHO CN1CC2(C1)CC[NH+](CCCc1ccccc1Cl)CC2 ZINC001208874904 813877749 /nfs/dbraw/zinc/87/77/49/813877749.db2.gz PFUCOHKHXJCTGC-UHFFFAOYSA-N 1 3 292.854 3.300 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC001208882092 813879885 /nfs/dbraw/zinc/87/98/85/813879885.db2.gz HSVOHSNUDUCCPY-GVDBMIGSSA-N 1 3 278.440 3.018 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC001208882092 813879894 /nfs/dbraw/zinc/87/98/94/813879894.db2.gz HSVOHSNUDUCCPY-GVDBMIGSSA-N 1 3 278.440 3.018 20 0 CGADHO Cc1cc(C[C@H](C)NC2=CC[C@H]([NH+]3CCCC3)CC2)on1 ZINC001210705819 814589766 /nfs/dbraw/zinc/58/97/66/814589766.db2.gz WYSRCSOZQYREMK-BBRMVZONSA-N 1 3 289.423 3.036 20 0 CGADHO Oc1cnc(N=C2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001210708298 814592546 /nfs/dbraw/zinc/59/25/46/814592546.db2.gz KZPMVULGXGECDH-GFCCVEGCSA-N 1 3 293.798 3.385 20 0 CGADHO C[NH2+]Cc1cccc(Nc2ccc3c(c2)CN(C)CC3)c1 ZINC001211142249 814837359 /nfs/dbraw/zinc/83/73/59/814837359.db2.gz NNCVWODKEIJFRT-UHFFFAOYSA-N 1 3 281.403 3.138 20 0 CGADHO C[C@@H]1CC[C@H](Oc2ccc3ccccc3c2CN(C)C)C[NH2+]1 ZINC001218409585 816200874 /nfs/dbraw/zinc/20/08/74/816200874.db2.gz ZCSXKPBGZAPJNN-ZBFHGGJFSA-N 1 3 298.430 3.421 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148439 816359779 /nfs/dbraw/zinc/35/97/79/816359779.db2.gz OWXCERWMMFRRMS-GOSISDBHSA-N 1 3 272.436 3.386 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@]3(CCCNC3)C2)CC1 ZINC001222258932 816389818 /nfs/dbraw/zinc/38/98/18/816389818.db2.gz JDHAMLMTKYETIO-BZSNNMDCSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]3(CCCNC3)C2)CC1 ZINC001222258932 816389819 /nfs/dbraw/zinc/38/98/19/816389819.db2.gz JDHAMLMTKYETIO-BZSNNMDCSA-N 1 3 276.468 3.444 20 0 CGADHO COc1cc(C)ccc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310869 816404891 /nfs/dbraw/zinc/40/48/91/816404891.db2.gz XEGWKOWLGWGNME-GOSISDBHSA-N 1 3 288.435 3.112 20 0 CGADHO CC(C)(C)Oc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1 ZINC001222542154 816465431 /nfs/dbraw/zinc/46/54/31/816465431.db2.gz ASMWFVTYWGJSGZ-UHFFFAOYSA-N 1 3 294.414 3.127 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222616016 816478757 /nfs/dbraw/zinc/47/87/57/816478757.db2.gz VNXDHBQFYUTMDO-ZWKOTPCHSA-N 1 3 272.436 3.036 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222616016 816478759 /nfs/dbraw/zinc/47/87/59/816478759.db2.gz VNXDHBQFYUTMDO-ZWKOTPCHSA-N 1 3 272.436 3.036 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620449 816480393 /nfs/dbraw/zinc/48/03/93/816480393.db2.gz SPKUGMCAMSGWBP-DZGCQCFKSA-N 1 3 286.444 3.394 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620449 816480395 /nfs/dbraw/zinc/48/03/95/816480395.db2.gz SPKUGMCAMSGWBP-DZGCQCFKSA-N 1 3 286.444 3.394 20 0 CGADHO Cc1c2ccccc2sc1CN1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620449 816480397 /nfs/dbraw/zinc/48/03/97/816480397.db2.gz SPKUGMCAMSGWBP-DZGCQCFKSA-N 1 3 286.444 3.394 20 0 CGADHO CC[C@H]1CCC[N@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232147220 818263797 /nfs/dbraw/zinc/26/37/97/818263797.db2.gz MFFOHZAWPAEROQ-INIZCTEOSA-N 1 3 264.388 3.262 20 0 CGADHO CC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232147220 818263790 /nfs/dbraw/zinc/26/37/90/818263790.db2.gz MFFOHZAWPAEROQ-INIZCTEOSA-N 1 3 264.388 3.262 20 0 CGADHO Cc1cccc(CCN2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042648 818987726 /nfs/dbraw/zinc/98/77/26/818987726.db2.gz ZIZOVGGKYBMKSD-SFHVURJKSA-N 1 3 272.436 3.146 20 0 CGADHO CCc1ccccc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235046272 818990247 /nfs/dbraw/zinc/99/02/47/818990247.db2.gz OQPZKICSSJMKIK-SFHVURJKSA-N 1 3 272.436 3.357 20 0 CGADHO Cn1ccc2cc(CN3CCC[C@@]4(CCC[NH2+]4)CC3)ccc21 ZINC001235046194 818990519 /nfs/dbraw/zinc/99/05/19/818990519.db2.gz NSGNGVYBQYRSHW-IBGZPJMESA-N 1 3 297.446 3.286 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC23CCNCC3)C1(C)C ZINC001235103035 819002657 /nfs/dbraw/zinc/00/26/57/819002657.db2.gz QFWVILLQXBKNJH-OAHLLOKOSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC23CCNCC3)C1(C)C ZINC001235103035 819002660 /nfs/dbraw/zinc/00/26/60/819002660.db2.gz QFWVILLQXBKNJH-OAHLLOKOSA-N 1 3 262.441 3.197 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235253212 819049864 /nfs/dbraw/zinc/04/98/64/819049864.db2.gz CLFCROJYXAJSJG-TXCZRRACSA-N 1 3 290.838 3.127 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235253204 819050062 /nfs/dbraw/zinc/05/00/62/819050062.db2.gz CLFCROJYXAJSJG-FSDCSDTHSA-N 1 3 290.838 3.127 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]3CNCC[C@@H]32)cc1 ZINC001235260985 819056267 /nfs/dbraw/zinc/05/62/67/819056267.db2.gz OQSZIKGRLXMBOI-MNEFBYGVSA-N 1 3 286.463 3.282 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CNCC[C@@H]32)cc1 ZINC001235260985 819056273 /nfs/dbraw/zinc/05/62/73/819056273.db2.gz OQSZIKGRLXMBOI-MNEFBYGVSA-N 1 3 286.463 3.282 20 0 CGADHO CCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363557 819080012 /nfs/dbraw/zinc/08/00/12/819080012.db2.gz RPBVLORGQFYWIX-QZTJIDSGSA-N 1 3 272.436 3.040 20 0 CGADHO CCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363557 819080021 /nfs/dbraw/zinc/08/00/21/819080021.db2.gz RPBVLORGQFYWIX-QZTJIDSGSA-N 1 3 272.436 3.040 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)C1(C)C ZINC001235409783 819087195 /nfs/dbraw/zinc/08/71/95/819087195.db2.gz WVWFZRDEKSKDJR-NUJGCVRESA-N 1 3 294.458 3.392 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)C1(C)C ZINC001235409783 819087201 /nfs/dbraw/zinc/08/72/01/819087201.db2.gz WVWFZRDEKSKDJR-NUJGCVRESA-N 1 3 294.458 3.392 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410059 819089613 /nfs/dbraw/zinc/08/96/13/819089613.db2.gz XHFXEVVGXFXALY-ROUUACIJSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235410059 819089619 /nfs/dbraw/zinc/08/96/19/819089619.db2.gz XHFXEVVGXFXALY-ROUUACIJSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235410059 819089625 /nfs/dbraw/zinc/08/96/25/819089625.db2.gz XHFXEVVGXFXALY-ROUUACIJSA-N 1 3 290.426 3.081 20 0 CGADHO Cc1ccc(CN(C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001235662852 819132584 /nfs/dbraw/zinc/13/25/84/819132584.db2.gz AHUCHAYSTPUVET-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc(C)c(Cl)c(C)c2)CC1 ZINC001235679075 819138578 /nfs/dbraw/zinc/13/85/78/819138578.db2.gz LFWJJJVNCBDXOK-UHFFFAOYSA-N 1 3 280.843 3.388 20 0 CGADHO Cc1ccc(CN2CCC(C)([NH3+])CC2)c2ccccc12 ZINC001235747529 819160288 /nfs/dbraw/zinc/16/02/88/819160288.db2.gz AZZREDBBCWIFOZ-UHFFFAOYSA-N 1 3 268.404 3.461 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC001235750234 819160417 /nfs/dbraw/zinc/16/04/17/819160417.db2.gz MXYWNJFCTPOUTG-OAHLLOKOSA-N 1 3 284.378 3.273 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235750292 819160449 /nfs/dbraw/zinc/16/04/49/819160449.db2.gz OTXIZHBYDXINNK-IBGZPJMESA-N 1 3 280.415 3.058 20 0 CGADHO c1c(CN2CC3CCC2CC3)c2cccc3c2n1CC[NH2+]C3 ZINC001235888853 819198220 /nfs/dbraw/zinc/19/82/20/819198220.db2.gz QGPBPYMEHRHCQP-UHFFFAOYSA-N 1 3 295.430 3.119 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](N)CC[C@H]1C ZINC001235907762 819217849 /nfs/dbraw/zinc/21/78/49/819217849.db2.gz UGXXNULOEPZCCJ-ZBFHGGJFSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](N)CC[C@H]1C ZINC001235907762 819217856 /nfs/dbraw/zinc/21/78/56/819217856.db2.gz UGXXNULOEPZCCJ-ZBFHGGJFSA-N 1 3 268.404 3.460 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1CCCCCc1ccccc1 ZINC001235925519 819224480 /nfs/dbraw/zinc/22/44/80/819224480.db2.gz RPKWFEWMVJNTNJ-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1CCCCCc1ccccc1 ZINC001235925519 819224485 /nfs/dbraw/zinc/22/44/85/819224485.db2.gz RPKWFEWMVJNTNJ-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO c1csc(-c2ccccc2CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235939305 819234591 /nfs/dbraw/zinc/23/45/91/819234591.db2.gz OXCNSUFEGDBTCF-GOEBONIOSA-N 1 3 298.455 3.456 20 0 CGADHO COCC[N@H+](CC[C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235945345 819235258 /nfs/dbraw/zinc/23/52/58/819235258.db2.gz FXWGBEQQVCPAAT-QGZVFWFLSA-N 1 3 296.499 3.459 20 0 CGADHO COCC[N@@H+](CC[C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235945345 819235265 /nfs/dbraw/zinc/23/52/65/819235265.db2.gz FXWGBEQQVCPAAT-QGZVFWFLSA-N 1 3 296.499 3.459 20 0 CGADHO COCCN(CC[C@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235945345 819235268 /nfs/dbraw/zinc/23/52/68/819235268.db2.gz FXWGBEQQVCPAAT-QGZVFWFLSA-N 1 3 296.499 3.459 20 0 CGADHO CCN(Cc1ccc(C[NH3+])cc1)Cc1cccc(F)c1 ZINC001236043357 819280206 /nfs/dbraw/zinc/28/02/06/819280206.db2.gz ZVJGGZGHOJPTCI-UHFFFAOYSA-N 1 3 272.367 3.307 20 0 CGADHO CN(CC[C@H]1CCCC[NH2+]1)C(C)(C)Cc1ccccc1 ZINC001236155376 819348416 /nfs/dbraw/zinc/34/84/16/819348416.db2.gz KKZYYCVXRYUFLM-QGZVFWFLSA-N 1 3 274.452 3.472 20 0 CGADHO C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@@H]1N ZINC001236211818 819375061 /nfs/dbraw/zinc/37/50/61/819375061.db2.gz JJUYABBKCTZWLU-HOCLYGCPSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@@H]1N ZINC001236211818 819375065 /nfs/dbraw/zinc/37/50/65/819375065.db2.gz JJUYABBKCTZWLU-HOCLYGCPSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@H+](CCc1ccc(F)cc1Cl)C1(C)CCNCC1 ZINC001236224754 819391032 /nfs/dbraw/zinc/39/10/32/819391032.db2.gz WHXCOUUBUPUPJA-UHFFFAOYSA-N 1 3 284.806 3.096 20 0 CGADHO C[N@@H+](CCc1ccc(F)cc1Cl)C1(C)CCNCC1 ZINC001236224754 819391039 /nfs/dbraw/zinc/39/10/39/819391039.db2.gz WHXCOUUBUPUPJA-UHFFFAOYSA-N 1 3 284.806 3.096 20 0 CGADHO CCN(Cc1cccc(C(C)(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236407492 819454765 /nfs/dbraw/zinc/45/47/65/819454765.db2.gz GFRFHUMZMVPWND-INIZCTEOSA-N 1 3 274.452 3.416 20 0 CGADHO CCN(Cc1ccc(F)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236408429 819456162 /nfs/dbraw/zinc/45/61/62/819456162.db2.gz LWEBKKOUIBVWRN-AWEZNQCLSA-N 1 3 286.394 3.410 20 0 CGADHO CCN(Cc1cc(C)c(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236408868 819456545 /nfs/dbraw/zinc/45/65/45/819456545.db2.gz PRRQRXXHAXDFDX-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415670 819461279 /nfs/dbraw/zinc/46/12/79/819461279.db2.gz PHJSTDUNOGOZBV-XABYNWHXSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415670 819461282 /nfs/dbraw/zinc/46/12/82/819461282.db2.gz PHJSTDUNOGOZBV-XABYNWHXSA-N 1 3 278.827 3.255 20 0 CGADHO CCCN(Cc1ccc(C2CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236841879 819618856 /nfs/dbraw/zinc/61/88/56/819618856.db2.gz ANUOHYTWYUMXFB-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO CC[C@H](N)C[N@H+](C)CCCc1ccccc1Br ZINC001236859628 819625163 /nfs/dbraw/zinc/62/51/63/819625163.db2.gz KSYYZMZOYDWWMD-ZDUSSCGKSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@H](N)C[N@@H+](C)CCCc1ccccc1Br ZINC001236859628 819625165 /nfs/dbraw/zinc/62/51/65/819625165.db2.gz KSYYZMZOYDWWMD-ZDUSSCGKSA-N 1 3 299.256 3.051 20 0 CGADHO C[C@H](N)C[N@H+](C)Cc1ccccc1-c1ccc(F)cc1 ZINC001236899513 819634573 /nfs/dbraw/zinc/63/45/73/819634573.db2.gz KGABMIZJUOAQQD-ZDUSSCGKSA-N 1 3 272.367 3.272 20 0 CGADHO C[C@H](N)C[N@@H+](C)Cc1ccccc1-c1ccc(F)cc1 ZINC001236899513 819634579 /nfs/dbraw/zinc/63/45/79/819634579.db2.gz KGABMIZJUOAQQD-ZDUSSCGKSA-N 1 3 272.367 3.272 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@](C)(CN)C2)cc1 ZINC001237060339 819656438 /nfs/dbraw/zinc/65/64/38/819656438.db2.gz ZYDPHBFDFAJIKT-SFHVURJKSA-N 1 3 274.452 3.413 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@](C)(CN)C2)cc1 ZINC001237060339 819656444 /nfs/dbraw/zinc/65/64/44/819656444.db2.gz ZYDPHBFDFAJIKT-SFHVURJKSA-N 1 3 274.452 3.413 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107022 819668523 /nfs/dbraw/zinc/66/85/23/819668523.db2.gz KVHASDLHKXJHQU-KDURUIRLSA-N 1 3 284.447 3.338 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC001237107022 819668526 /nfs/dbraw/zinc/66/85/26/819668526.db2.gz KVHASDLHKXJHQU-KDURUIRLSA-N 1 3 284.447 3.338 20 0 CGADHO CC(C)(C)[NH2+]Cc1ccc(-c2ccc3c(n2)CNCC3)cc1 ZINC001240366168 820997233 /nfs/dbraw/zinc/99/72/33/820997233.db2.gz JPCCKBPZUQPDEV-UHFFFAOYSA-N 1 3 295.430 3.282 20 0 CGADHO CN1CC=C(c2ccc(SC3CC[NH2+]CC3)cc2)CC1 ZINC001241332746 821739338 /nfs/dbraw/zinc/73/93/38/821739338.db2.gz NZUVRORFGUPWCP-UHFFFAOYSA-N 1 3 288.460 3.250 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495992 936406174 /nfs/dbraw/zinc/40/61/74/936406174.db2.gz UCPBBOKYIKQARK-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO Cc1ccc(CN2CCC3(CC[N@@H+](C)C3)CC2)c(F)c1 ZINC001275426970 928522039 /nfs/dbraw/zinc/52/20/39/928522039.db2.gz HSKPTDYSFKTPII-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)c(F)c1 ZINC001275426970 928522042 /nfs/dbraw/zinc/52/20/42/928522042.db2.gz HSKPTDYSFKTPII-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO CCC[C@@H](C)CCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001460531222 937534832 /nfs/dbraw/zinc/53/48/32/937534832.db2.gz DMHAJPBSEFSDIC-IAGOWNOFSA-N 1 3 284.488 3.245 20 0 CGADHO C[C@@H](C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1)C(C)(C)C ZINC001460710907 937540917 /nfs/dbraw/zinc/54/09/17/937540917.db2.gz QJWXKIOORBNAJA-GJZGRUSLSA-N 1 3 275.440 3.274 20 0 CGADHO C[C@@H](C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1)C(C)(C)C ZINC001460710907 937540919 /nfs/dbraw/zinc/54/09/19/937540919.db2.gz QJWXKIOORBNAJA-GJZGRUSLSA-N 1 3 275.440 3.274 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC001460701887 937541099 /nfs/dbraw/zinc/54/10/99/937541099.db2.gz BQVCNXHWMXFVAH-IXDOHACOSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC001460701887 937541102 /nfs/dbraw/zinc/54/11/02/937541102.db2.gz BQVCNXHWMXFVAH-IXDOHACOSA-N 1 3 287.451 3.418 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC001461069379 937561959 /nfs/dbraw/zinc/56/19/59/937561959.db2.gz WOZLUBRFOWYUGC-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(C(F)F)c1 ZINC001331819661 932720477 /nfs/dbraw/zinc/72/04/77/932720477.db2.gz CJMIIYDJSFLDFY-UONOGXRCSA-N 1 3 268.351 3.231 20 0 CGADHO Cc1ccccc1CCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001307977892 933028862 /nfs/dbraw/zinc/02/88/62/933028862.db2.gz HLJXUCFXKMLUQM-KDURUIRLSA-N 1 3 286.463 3.201 20 0 CGADHO Cc1ccccc1CCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001307977892 933028865 /nfs/dbraw/zinc/02/88/65/933028865.db2.gz HLJXUCFXKMLUQM-KDURUIRLSA-N 1 3 286.463 3.201 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@H]2C1 ZINC001308555800 933132060 /nfs/dbraw/zinc/13/20/60/933132060.db2.gz YHKKBEDCIDMRMH-SOUVJXGZSA-N 1 3 280.362 3.054 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455487 933879464 /nfs/dbraw/zinc/87/94/64/933879464.db2.gz WBGOWYIGVIIBGY-YVEFUNNKSA-N 1 3 294.389 3.274 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755714 933926606 /nfs/dbraw/zinc/92/66/06/933926606.db2.gz REPIWUOFWXWUBP-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](C)c1ccc(OC)c2ccccc21 ZINC001325745342 934926327 /nfs/dbraw/zinc/92/63/27/934926327.db2.gz XGGHADONCUIMJB-KGLIPLIRSA-N 1 3 286.419 3.497 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564110 935228603 /nfs/dbraw/zinc/22/86/03/935228603.db2.gz DUSHWQSWRUNLTD-STQMWFEESA-N 1 3 297.393 3.402 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC001330070843 935265316 /nfs/dbraw/zinc/26/53/16/935265316.db2.gz UWQCXKNBLQTLCJ-PBHICJAKSA-N 1 3 288.435 3.091 20 0 CGADHO C[N@@H+]1C[C@@]23CN(CCSC(C)(C)C)C[C@]2(C1)CCCC3 ZINC001473902151 937829279 /nfs/dbraw/zinc/82/92/79/937829279.db2.gz QVPQRJOYYAKJGB-CALCHBBNSA-N 1 3 296.524 3.326 20 0 CGADHO C[N@H+]1C[C@@]23CN(CCSC(C)(C)C)C[C@]2(C1)CCCC3 ZINC001473902151 937829281 /nfs/dbraw/zinc/82/92/81/937829281.db2.gz QVPQRJOYYAKJGB-CALCHBBNSA-N 1 3 296.524 3.326 20 0 CGADHO C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@@H]1CCCN(CC2CC2)C1 ZINC001474644866 937873044 /nfs/dbraw/zinc/87/30/44/937873044.db2.gz DMTLPOWBTLVBIA-XLAORIBOSA-N 1 3 276.468 3.277 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001474759868 937879326 /nfs/dbraw/zinc/87/93/26/937879326.db2.gz WPWMCKSENZJJCZ-CQSZACIVSA-N 1 3 284.513 3.372 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC001553291698 938197837 /nfs/dbraw/zinc/19/78/37/938197837.db2.gz JGOTVOVLMRPYKT-YNEHKIRRSA-N 1 3 290.373 3.229 20 0 CGADHO CC[C@H](C)[C@@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001560048727 938242876 /nfs/dbraw/zinc/24/28/76/938242876.db2.gz YBWGWTAECCUBNR-LSDHHAIUSA-N 1 3 252.446 3.371 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC001560623440 938266482 /nfs/dbraw/zinc/26/64/82/938266482.db2.gz XIHQTTHLELNVNO-SZMVWBNQSA-N 1 3 286.463 3.414 20 0 CGADHO Cc1ccc2c(c1)C[C@H](N1CCC([NH3+])(CC3CC3)CC1)CC2 ZINC001172828788 957881478 /nfs/dbraw/zinc/88/14/78/957881478.db2.gz PSIAPIAXRWJLIH-LJQANCHMSA-N 1 3 298.474 3.446 20 0 CGADHO c1cc2cccc(CN3CCC[C@]4(CCC[NH2+]C4)C3)c2[nH]1 ZINC001222271523 960403932 /nfs/dbraw/zinc/40/39/32/960403932.db2.gz HKGSBVKMIFUFIF-SFHVURJKSA-N 1 3 283.419 3.134 20 0 CGADHO CC(C)(C)SCCC[N@@H+]1CCNCCC12CCC2 ZINC001575260854 962355510 /nfs/dbraw/zinc/35/55/10/962355510.db2.gz KQYSYJJUVUYCIR-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CC(C)(C)SCCC[N@H+]1CCNCCC12CCC2 ZINC001575260854 962355529 /nfs/dbraw/zinc/35/55/29/962355529.db2.gz KQYSYJJUVUYCIR-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CC(C)[C@H](C[NH3+])CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC001575422845 962381203 /nfs/dbraw/zinc/38/12/03/962381203.db2.gz NLEHCTCUYVSXAZ-OAHLLOKOSA-N 1 3 296.405 3.375 20 0 CGADHO CC(C)[C@H](CN)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC001575422845 962381223 /nfs/dbraw/zinc/38/12/23/962381223.db2.gz NLEHCTCUYVSXAZ-OAHLLOKOSA-N 1 3 296.405 3.375 20 0 CGADHO CC(C)Cc1ccc(CNCc2ccccc2C[NH3+])cn1 ZINC001575655750 962408763 /nfs/dbraw/zinc/40/87/63/962408763.db2.gz PMSCNFNEXHVUBS-UHFFFAOYSA-N 1 3 283.419 3.029 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117314 962439401 /nfs/dbraw/zinc/43/94/01/962439401.db2.gz MISJQDWPFSSYRA-UKMLZYKCSA-N 1 3 294.389 3.095 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001576309722 962447893 /nfs/dbraw/zinc/44/78/93/962447893.db2.gz COKKCWFZHKUVNM-OIISXLGYSA-N 1 3 258.409 3.199 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001576309722 962447909 /nfs/dbraw/zinc/44/79/09/962447909.db2.gz COKKCWFZHKUVNM-OIISXLGYSA-N 1 3 258.409 3.199 20 0 CGADHO CC1(C)CC[C@@H](CN[C@@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422172 962458362 /nfs/dbraw/zinc/45/83/62/962458362.db2.gz TYNCVOWWSOLNOI-CVEARBPZSA-N 1 3 294.483 3.236 20 0 CGADHO C[C@@H]1CCCN(C[C@@]2(C)CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC001576705545 962482641 /nfs/dbraw/zinc/48/26/41/962482641.db2.gz UMXFKMMCUILNCK-IJLUTSLNSA-N 1 3 279.255 3.020 20 0 CGADHO CCC[C@@H](C)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001577345033 962528746 /nfs/dbraw/zinc/52/87/46/962528746.db2.gz KISNUFLBMYXFPP-INWMFGNUSA-N 1 3 294.414 3.058 20 0 CGADHO Cc1ccc(-c2cccc(CNCCC[NH3+])c2)cc1 ZINC001579648717 962645457 /nfs/dbraw/zinc/64/54/57/962645457.db2.gz XJPBWGBYFAUJED-UHFFFAOYSA-N 1 3 254.377 3.100 20 0 CGADHO Cc1cccc(C)c1CN[C@]1(C[NH3+])CCCC[C@@H]1C ZINC001579754883 962670064 /nfs/dbraw/zinc/67/00/64/962670064.db2.gz LTEJFDJFCIRXIR-RDJZCZTQSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ncc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875687 962676182 /nfs/dbraw/zinc/67/61/82/962676182.db2.gz ICAFVZRKKIOCFX-YOEHRIQHSA-N 1 3 291.439 3.103 20 0 CGADHO Fc1cccc(CCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580033157 962686623 /nfs/dbraw/zinc/68/66/23/962686623.db2.gz ABRHNXJIHVVSEG-SJLPKXTDSA-N 1 3 290.426 3.222 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC001580895796 962742683 /nfs/dbraw/zinc/74/26/83/962742683.db2.gz SKPDFGLEOHWHDT-YZGWKJHDSA-N 1 3 292.426 3.062 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000127765679 187331894 /nfs/dbraw/zinc/33/18/94/187331894.db2.gz OQMVWCBVFDSZOJ-HUUCEWRRSA-N 1 3 278.415 3.251 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000651808383 398290864 /nfs/dbraw/zinc/29/08/64/398290864.db2.gz PADUWRKDWCFWLZ-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](C)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000125491505 187187931 /nfs/dbraw/zinc/18/79/31/187187931.db2.gz NFADHLYKQSDZOA-ZDUSSCGKSA-N 1 3 266.454 3.348 20 0 CGADHO CC[C@@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449071715 529512316 /nfs/dbraw/zinc/51/23/16/529512316.db2.gz OHCYTLIQOITEMZ-GOSISDBHSA-N 1 3 298.515 3.416 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)N)c1ccc(OC(F)F)cc1 ZINC000423281840 529589491 /nfs/dbraw/zinc/58/94/91/529589491.db2.gz BZSYMPZVZCJZNP-LBPRGKRZSA-N 1 3 272.339 3.066 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(OC(F)F)cc1 ZINC000423332275 529591220 /nfs/dbraw/zinc/59/12/20/529591220.db2.gz QRDFRGQYXWYBIA-ZDUSSCGKSA-N 1 3 284.350 3.210 20 0 CGADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423228553 529605664 /nfs/dbraw/zinc/60/56/64/529605664.db2.gz DASLWWYAUMXUAK-GWCFXTLKSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@H](NC[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235571 529619228 /nfs/dbraw/zinc/61/92/28/529619228.db2.gz GNIAERUBRGVGLJ-KBPBESRZSA-N 1 3 260.406 3.489 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccc(Br)c1 ZINC000423436599 529666599 /nfs/dbraw/zinc/66/65/99/529666599.db2.gz FKBBAGGTYTVKCT-CWSCBRNRSA-N 1 3 285.229 3.226 20 0 CGADHO C[N@@H+]1CC[C@H](NCC2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427698 349805218 /nfs/dbraw/zinc/80/52/18/349805218.db2.gz JNHHHEPCIJADKX-INIZCTEOSA-N 1 3 290.426 3.320 20 0 CGADHO C[N@H+]1CC[C@H](NCC2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427698 349805219 /nfs/dbraw/zinc/80/52/19/349805219.db2.gz JNHHHEPCIJADKX-INIZCTEOSA-N 1 3 290.426 3.320 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657742 349859851 /nfs/dbraw/zinc/85/98/51/349859851.db2.gz XUCWGMHBUARBKX-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656729 349857863 /nfs/dbraw/zinc/85/78/63/349857863.db2.gz AMICCMVNKOMOMQ-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000623656910 349858087 /nfs/dbraw/zinc/85/80/87/349858087.db2.gz FKIVNSACNVOFAD-MRXNPFEDSA-N 1 3 274.452 3.286 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2ccoc21 ZINC000449302153 529886686 /nfs/dbraw/zinc/88/66/86/529886686.db2.gz JFNOBWDLIANIOJ-UHFFFAOYSA-N 1 3 272.392 3.351 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2ccoc21 ZINC000449302153 529886687 /nfs/dbraw/zinc/88/66/87/529886687.db2.gz JFNOBWDLIANIOJ-UHFFFAOYSA-N 1 3 272.392 3.351 20 0 CGADHO CN(CCCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000358331829 529895571 /nfs/dbraw/zinc/89/55/71/529895571.db2.gz AWDXRGUCFQLNAL-OAHLLOKOSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[NH+]1CCC(CN[C@H]2CCCc3scnc32)CC1 ZINC000623887666 349905989 /nfs/dbraw/zinc/90/59/89/349905989.db2.gz JSECOULQIDMREK-AWEZNQCLSA-N 1 3 293.480 3.232 20 0 CGADHO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037649415 344951951 /nfs/dbraw/zinc/95/19/51/344951951.db2.gz ZMBWCOGXWSTDPR-GJZGRUSLSA-N 1 3 288.435 3.139 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081633171 345716391 /nfs/dbraw/zinc/71/63/91/345716391.db2.gz JDEGSBCUUWEYPI-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000081633171 345716394 /nfs/dbraw/zinc/71/63/94/345716394.db2.gz JDEGSBCUUWEYPI-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC2CCCC2)C1 ZINC000081633171 345716396 /nfs/dbraw/zinc/71/63/96/345716396.db2.gz JDEGSBCUUWEYPI-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC2CCCC2)C1 ZINC000081633171 345716397 /nfs/dbraw/zinc/71/63/97/345716397.db2.gz JDEGSBCUUWEYPI-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CCCC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000090399528 345787288 /nfs/dbraw/zinc/78/72/88/345787288.db2.gz WQDLQQLOXLXVJR-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090399528 345787290 /nfs/dbraw/zinc/78/72/90/345787290.db2.gz WQDLQQLOXLXVJR-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090399528 345787295 /nfs/dbraw/zinc/78/72/95/345787295.db2.gz WQDLQQLOXLXVJR-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@H+](CCCN)CCCc1ccc(Cl)c(Cl)c1 ZINC000204551093 346282041 /nfs/dbraw/zinc/28/20/41/346282041.db2.gz TWCVANDZRPOHMH-UHFFFAOYSA-N 1 3 275.223 3.207 20 0 CGADHO C[N@@H+](CCCN)CCCc1ccc(Cl)c(Cl)c1 ZINC000204551093 346282044 /nfs/dbraw/zinc/28/20/44/346282044.db2.gz TWCVANDZRPOHMH-UHFFFAOYSA-N 1 3 275.223 3.207 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000252125553 346389838 /nfs/dbraw/zinc/38/98/38/346389838.db2.gz LJDUGUHUCAMLPH-RBSFLKMASA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@H](C[NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000389031288 346571950 /nfs/dbraw/zinc/57/19/50/346571950.db2.gz DDDSRRPCASDDAI-WBVHZDCISA-N 1 3 262.441 3.214 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595020989 347259717 /nfs/dbraw/zinc/25/97/17/347259717.db2.gz BSHPQIWHPVZWNM-LSDHHAIUSA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CSCCF)C1 ZINC000595020989 347259718 /nfs/dbraw/zinc/25/97/18/347259718.db2.gz BSHPQIWHPVZWNM-LSDHHAIUSA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CSCCF)C1 ZINC000595020989 347259719 /nfs/dbraw/zinc/25/97/19/347259719.db2.gz BSHPQIWHPVZWNM-LSDHHAIUSA-N 1 3 290.492 3.035 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000624120546 349976774 /nfs/dbraw/zinc/97/67/74/349976774.db2.gz BLUWSAKSZCLRES-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120983 349978963 /nfs/dbraw/zinc/97/89/63/349978963.db2.gz LGUIHJUJKZGMNS-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120983 349978965 /nfs/dbraw/zinc/97/89/65/349978965.db2.gz LGUIHJUJKZGMNS-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121847 349979854 /nfs/dbraw/zinc/97/98/54/349979854.db2.gz DVWMHRXGZSUWCA-SJCJKPOMSA-N 1 3 294.389 3.274 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121912 349980531 /nfs/dbraw/zinc/98/05/31/349980531.db2.gz FWJXLVDGQHGPTM-ZBFHGGJFSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123673 349982955 /nfs/dbraw/zinc/98/29/55/349982955.db2.gz QGFKRXGOCCBRCU-PMPSAXMXSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CC1(C)C ZINC000624123280 349983249 /nfs/dbraw/zinc/98/32/49/349983249.db2.gz IYCDDWUBIIDWBE-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCCCOc2ccccc2)C1 ZINC000339407549 215152309 /nfs/dbraw/zinc/15/23/09/215152309.db2.gz OYJDZWJSFJCAFE-SJORKVTESA-N 1 3 290.451 3.295 20 0 CGADHO CCSCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610212765 348366891 /nfs/dbraw/zinc/36/68/91/348366891.db2.gz YSAAQECLTBNPKI-UHFFFAOYSA-N 1 3 284.513 3.328 20 0 CGADHO c1ccc2c(c1)CC(CC[NH2+][C@H]1CCN3CCC[C@H]3C1)C2 ZINC000358231312 233086544 /nfs/dbraw/zinc/08/65/44/233086544.db2.gz SBVYKSZHYVZYSQ-OALUTQOASA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000358231312 233086547 /nfs/dbraw/zinc/08/65/47/233086547.db2.gz SBVYKSZHYVZYSQ-OALUTQOASA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000358231312 233086552 /nfs/dbraw/zinc/08/65/52/233086552.db2.gz SBVYKSZHYVZYSQ-OALUTQOASA-N 1 3 284.447 3.008 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCC2(C(F)(F)F)CCCC2)[C@H](C)C1 ZINC000624272646 350016158 /nfs/dbraw/zinc/01/61/58/350016158.db2.gz NOVGXTWHNUZOFO-CHWSQXEVSA-N 1 3 292.389 3.429 20 0 CGADHO CC[N@H+]1CC[C@@H](NCC2(C(F)(F)F)CCCC2)[C@H](C)C1 ZINC000624272646 350016164 /nfs/dbraw/zinc/01/61/64/350016164.db2.gz NOVGXTWHNUZOFO-CHWSQXEVSA-N 1 3 292.389 3.429 20 0 CGADHO CCCCOc1ccc(CN2CCC(C[NH3+])CC2)cc1 ZINC000038314605 137884691 /nfs/dbraw/zinc/88/46/91/137884691.db2.gz MSJVMWBXGUYFII-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271345104 191084889 /nfs/dbraw/zinc/08/48/89/191084889.db2.gz XVIVQFWFPLDMHB-CABCVRRESA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271345104 191084892 /nfs/dbraw/zinc/08/48/92/191084892.db2.gz XVIVQFWFPLDMHB-CABCVRRESA-N 1 3 276.399 3.099 20 0 CGADHO CC(C)[NH+](CCCNC[C@]1(C)CCCS1)C(C)C ZINC000628227323 350449654 /nfs/dbraw/zinc/44/96/54/350449654.db2.gz BNEMKRHBSWCNAC-HNNXBMFYSA-N 1 3 272.502 3.371 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628295153 350483158 /nfs/dbraw/zinc/48/31/58/350483158.db2.gz DCCLEIDQKQDECU-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628295153 350483161 /nfs/dbraw/zinc/48/31/61/350483161.db2.gz DCCLEIDQKQDECU-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000628425296 350535734 /nfs/dbraw/zinc/53/57/34/350535734.db2.gz GRTHLXQUFBHMFU-BPQIPLTHSA-N 1 3 272.436 3.112 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000628425942 350536910 /nfs/dbraw/zinc/53/69/10/350536910.db2.gz ZYGNOUOWQPEDGG-KFWWJZLASA-N 1 3 284.513 3.228 20 0 CGADHO [NH3+]CCCOCCN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000629537868 350706134 /nfs/dbraw/zinc/70/61/34/350706134.db2.gz LBBYRHYTCXNPAY-MRXNPFEDSA-N 1 3 296.842 3.063 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccccc2CC(F)(F)F)C1 ZINC000629554526 350711970 /nfs/dbraw/zinc/71/19/70/350711970.db2.gz KEYZLJYZBOBTRS-UONOGXRCSA-N 1 3 286.341 3.151 20 0 CGADHO Clc1ccc2c(c1)[C@H](N[C@H]1CCC[NH2+]CC1)CCC2 ZINC000629556496 350712865 /nfs/dbraw/zinc/71/28/65/350712865.db2.gz QWTSVCLTIGLTGJ-GOEBONIOSA-N 1 3 278.827 3.449 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629563498 350713937 /nfs/dbraw/zinc/71/39/37/350713937.db2.gz RAFYXFHCICIJAN-CHWSQXEVSA-N 1 3 278.362 3.026 20 0 CGADHO CC(C)(C)CCCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565638 350714188 /nfs/dbraw/zinc/71/41/88/350714188.db2.gz WSKGJDGSIYCFLH-NWDGAFQWSA-N 1 3 280.378 3.272 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629513121 350699462 /nfs/dbraw/zinc/69/94/62/350699462.db2.gz DXRUOMFYIZOFAI-RKTXRCNFSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCC(F)(F)CC1 ZINC000629517090 350699523 /nfs/dbraw/zinc/69/95/23/350699523.db2.gz ADSZSTUOUWDDMU-YPMHNXCESA-N 1 3 272.383 3.075 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCC(F)(F)CC1 ZINC000629517090 350699526 /nfs/dbraw/zinc/69/95/26/350699526.db2.gz ADSZSTUOUWDDMU-YPMHNXCESA-N 1 3 272.383 3.075 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000631666631 351111782 /nfs/dbraw/zinc/11/17/82/351111782.db2.gz GHKRRYPAXYVWPX-LZLYRXPVSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000631666631 351111785 /nfs/dbraw/zinc/11/17/85/351111785.db2.gz GHKRRYPAXYVWPX-LZLYRXPVSA-N 1 3 296.499 3.170 20 0 CGADHO C=Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000291374559 198004325 /nfs/dbraw/zinc/00/43/25/198004325.db2.gz YYUFMFVENFXQOS-ROUUACIJSA-N 1 3 270.420 3.089 20 0 CGADHO C=Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000291374559 198004327 /nfs/dbraw/zinc/00/43/27/198004327.db2.gz YYUFMFVENFXQOS-ROUUACIJSA-N 1 3 270.420 3.089 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634733132 351578566 /nfs/dbraw/zinc/57/85/66/351578566.db2.gz XPPHTZNFJUYVHX-GFCCVEGCSA-N 1 3 266.454 3.178 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733329 351578800 /nfs/dbraw/zinc/57/88/00/351578800.db2.gz CTTSOIHVWUHUTJ-BBRMVZONSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733329 351578801 /nfs/dbraw/zinc/57/88/01/351578801.db2.gz CTTSOIHVWUHUTJ-BBRMVZONSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)c1ccccc1 ZINC000634734013 351579713 /nfs/dbraw/zinc/57/97/13/351579713.db2.gz URVWBTNPJQBLTM-GOEBONIOSA-N 1 3 260.425 3.158 20 0 CGADHO c1cc(C[NH2+][C@H](C2CC2)C2CCC2)c2c(c1)CNCC2 ZINC000635004057 351621720 /nfs/dbraw/zinc/62/17/20/351621720.db2.gz MUFQUVXBPZVTEY-SFHVURJKSA-N 1 3 270.420 3.001 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005047 351622727 /nfs/dbraw/zinc/62/27/27/351622727.db2.gz GXAXPWMVKIUCOB-DOTOQJQBSA-N 1 3 286.419 3.150 20 0 CGADHO C[C@@H](CCc1ccco1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005047 351622728 /nfs/dbraw/zinc/62/27/28/351622728.db2.gz GXAXPWMVKIUCOB-DOTOQJQBSA-N 1 3 286.419 3.150 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006198 351624878 /nfs/dbraw/zinc/62/48/78/351624878.db2.gz LFAMXBSRKQSJBG-HOTGVXAUSA-N 1 3 260.425 3.115 20 0 CGADHO Fc1cccc2c1CC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635008862 351626738 /nfs/dbraw/zinc/62/67/38/351626738.db2.gz HNYOZJONHWAGLS-IBGZPJMESA-N 1 3 296.389 3.249 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2ccc(C)o2)CC1 ZINC000122802551 187052539 /nfs/dbraw/zinc/05/25/39/187052539.db2.gz ZCNGPOMAENOSMI-CQSZACIVSA-N 1 3 264.413 3.361 20 0 CGADHO CC[C@@H](COC)NCc1ccccc1C[N@H+](C)C(C)C ZINC000154878270 188166978 /nfs/dbraw/zinc/16/69/78/188166978.db2.gz NKHDVWFTKAQZDR-KRWDZBQOSA-N 1 3 278.440 3.041 20 0 CGADHO CC[C@@H](COC)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000154878270 188166980 /nfs/dbraw/zinc/16/69/80/188166980.db2.gz NKHDVWFTKAQZDR-KRWDZBQOSA-N 1 3 278.440 3.041 20 0 CGADHO Cc1ccc2ncc(CN3CCC(C[NH+](C)C)CC3)cc2c1 ZINC000411173106 235033609 /nfs/dbraw/zinc/03/36/09/235033609.db2.gz LDFNDJZLCDXRPT-UHFFFAOYSA-N 1 3 297.446 3.317 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)s1 ZINC000271833266 191355250 /nfs/dbraw/zinc/35/52/50/191355250.db2.gz FGIVDNPUBBFPQL-LBPRGKRZSA-N 1 3 264.438 3.223 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180168 235356277 /nfs/dbraw/zinc/35/62/77/235356277.db2.gz LIYCBDKGFNGZGZ-YIKOMLBNSA-N 1 3 296.817 3.265 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180168 235356279 /nfs/dbraw/zinc/35/62/79/235356279.db2.gz LIYCBDKGFNGZGZ-YIKOMLBNSA-N 1 3 296.817 3.265 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191350 235358991 /nfs/dbraw/zinc/35/89/91/235358991.db2.gz SKLVSIFFRAWFAO-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191350 235358993 /nfs/dbraw/zinc/35/89/93/235358993.db2.gz SKLVSIFFRAWFAO-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171653 235353105 /nfs/dbraw/zinc/35/31/05/235353105.db2.gz DJNMKZYZXIJIFG-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171653 235353107 /nfs/dbraw/zinc/35/31/07/235353107.db2.gz DJNMKZYZXIJIFG-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC3(C)C)CC2)C1 ZINC000414221137 235366604 /nfs/dbraw/zinc/36/66/04/235366604.db2.gz LOMCTVXDGTXUNI-IMJJTQAJSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC3(C)C)CC2)C1 ZINC000414221137 235366607 /nfs/dbraw/zinc/36/66/07/235366607.db2.gz LOMCTVXDGTXUNI-IMJJTQAJSA-N 1 3 264.457 3.418 20 0 CGADHO CCCOc1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000110645438 138363665 /nfs/dbraw/zinc/36/36/65/138363665.db2.gz JDPFUTCXMCJBAW-AWEZNQCLSA-N 1 3 276.424 3.035 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130207485 138399556 /nfs/dbraw/zinc/39/95/56/138399556.db2.gz LVQQKPHZPJNHNB-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422899677 235939115 /nfs/dbraw/zinc/93/91/15/235939115.db2.gz ICDXNCIXKWAPFI-DOMZBBRYSA-N 1 3 290.382 3.487 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423052841 235964396 /nfs/dbraw/zinc/96/43/96/235964396.db2.gz QOVFPRBUVGGFDH-FVCCEPFGSA-N 1 3 278.362 3.085 20 0 CGADHO CCOc1ccccc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423284810 236023482 /nfs/dbraw/zinc/02/34/82/236023482.db2.gz YOAACYAGQAFXDM-LZWOXQAQSA-N 1 3 276.424 3.253 20 0 CGADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423297972 236029276 /nfs/dbraw/zinc/02/92/76/236029276.db2.gz MPRRYXXGRZFTGF-NEPJUHHUSA-N 1 3 289.448 3.364 20 0 CGADHO N[C@@H](C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313915 236034579 /nfs/dbraw/zinc/03/45/79/236034579.db2.gz GJFIKCVXSAMHNA-OALUTQOASA-N 1 3 298.405 3.436 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423316243 236035431 /nfs/dbraw/zinc/03/54/31/236035431.db2.gz ZTUZCRLYJATYPS-OSAQELSMSA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423345212 236045354 /nfs/dbraw/zinc/04/53/54/236045354.db2.gz NTMWZNKPCUVXAK-LBPRGKRZSA-N 1 3 256.349 3.003 20 0 CGADHO Cc1ccccc1[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423355587 236048331 /nfs/dbraw/zinc/04/83/31/236048331.db2.gz IIASNFMLZFFYCJ-CQSZACIVSA-N 1 3 266.388 3.449 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CCN1 ZINC000423365794 236051190 /nfs/dbraw/zinc/05/11/90/236051190.db2.gz BVXSKTQRHQHNDG-HFBAOOFYSA-N 1 3 262.372 3.007 20 0 CGADHO COCCC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)c1ccc(F)cc1 ZINC000423370918 236052736 /nfs/dbraw/zinc/05/27/36/236052736.db2.gz DZOPRSOEUOMKLS-JQFCIGGWSA-N 1 3 294.414 3.024 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423407136 236066892 /nfs/dbraw/zinc/06/68/92/236066892.db2.gz VJZXUUMBPFOQQK-JLZZUVOBSA-N 1 3 292.854 3.249 20 0 CGADHO C[C@@H]([NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)[C@H](C)N ZINC000423442401 236072340 /nfs/dbraw/zinc/07/23/40/236072340.db2.gz BRXHODTVEMNZFV-PMUMKWKESA-N 1 3 286.394 3.435 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000423444886 236072464 /nfs/dbraw/zinc/07/24/64/236072464.db2.gz RMVXYOGACVBWGN-IYJAJMOOSA-N 1 3 295.430 3.274 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423450345 236074140 /nfs/dbraw/zinc/07/41/40/236074140.db2.gz SQYSAUQJPBIKFJ-PKFCDNJMSA-N 1 3 297.240 3.226 20 0 CGADHO Cc1cc([C@H](C)NCCC[C@@H]2CCC[NH2+]2)oc1C ZINC000423479624 236082302 /nfs/dbraw/zinc/08/23/02/236082302.db2.gz MHFNICYKIYUUKY-GXTWGEPZSA-N 1 3 250.386 3.079 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]CCCNC2CC2)C2CC2)c1 ZINC000423530315 236093864 /nfs/dbraw/zinc/09/38/64/236093864.db2.gz RAPAHOGMKYOBSX-SFHVURJKSA-N 1 3 272.436 3.048 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CC23CCSCC3)c2ccccc21 ZINC000423561327 236099127 /nfs/dbraw/zinc/09/91/27/236099127.db2.gz VUHXVQNUYQSNOD-DAXOMENPSA-N 1 3 288.460 3.254 20 0 CGADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424366784 236156958 /nfs/dbraw/zinc/15/69/58/236156958.db2.gz JQCUNAMAHBJHNU-HCVDEJBSSA-N 1 3 258.409 3.038 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251095754 138556986 /nfs/dbraw/zinc/55/69/86/138556986.db2.gz LKFNZKMDZUZWSE-PVAVHDDUSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875003 199225951 /nfs/dbraw/zinc/22/59/51/199225951.db2.gz QJZLFLRBIRQLPB-ZIAGYGMSSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875003 199225952 /nfs/dbraw/zinc/22/59/52/199225952.db2.gz QJZLFLRBIRQLPB-ZIAGYGMSSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccncc1 ZINC000156462513 299290093 /nfs/dbraw/zinc/29/00/93/299290093.db2.gz ZZSFAQZFMDMBNY-ULQDDVLXSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348533712 299300295 /nfs/dbraw/zinc/30/02/95/299300295.db2.gz LJIJUHVTKYVWFS-LLDVTBCESA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348533712 299300298 /nfs/dbraw/zinc/30/02/98/299300298.db2.gz LJIJUHVTKYVWFS-LLDVTBCESA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348533712 299300300 /nfs/dbraw/zinc/30/03/00/299300300.db2.gz LJIJUHVTKYVWFS-LLDVTBCESA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C1CNC1 ZINC000422833808 299313865 /nfs/dbraw/zinc/31/38/65/299313865.db2.gz GZGHBAFPUOFHIU-LPHOPBHVSA-N 1 3 294.442 3.210 20 0 CGADHO C[C@H](NC[C@H](Cc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422833808 299313868 /nfs/dbraw/zinc/31/38/68/299313868.db2.gz GZGHBAFPUOFHIU-LPHOPBHVSA-N 1 3 294.442 3.210 20 0 CGADHO [NH3+]C1(CNCCCc2cccc3ccccc32)CCC1 ZINC000342153685 216239760 /nfs/dbraw/zinc/23/97/60/216239760.db2.gz ZUCKAENFRYDPHH-UHFFFAOYSA-N 1 3 268.404 3.243 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423218763 299319065 /nfs/dbraw/zinc/31/90/65/299319065.db2.gz VZXNFEOFHGWPEM-FEPKRQSRSA-N 1 3 292.389 3.333 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181954565 189311045 /nfs/dbraw/zinc/31/10/45/189311045.db2.gz XJVWNXLDGHBDLI-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC000181954565 189311046 /nfs/dbraw/zinc/31/10/46/189311046.db2.gz XJVWNXLDGHBDLI-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCCc2ccc(C)cc2)C1 ZINC000181954565 189311047 /nfs/dbraw/zinc/31/10/47/189311047.db2.gz XJVWNXLDGHBDLI-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCCc2ccc(C)cc2)C1 ZINC000181954565 189311048 /nfs/dbraw/zinc/31/10/48/189311048.db2.gz XJVWNXLDGHBDLI-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H](C[NH+](C)C)C1 ZINC000183299734 189353735 /nfs/dbraw/zinc/35/37/35/189353735.db2.gz FCFNRCKBOJGWKX-GDBMZVCRSA-N 1 3 278.415 3.030 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370434 189356843 /nfs/dbraw/zinc/35/68/43/189356843.db2.gz PPVZCJVDVDQFKZ-RDJZCZTQSA-N 1 3 292.442 3.420 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370434 189356844 /nfs/dbraw/zinc/35/68/44/189356844.db2.gz PPVZCJVDVDQFKZ-RDJZCZTQSA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370434 189356845 /nfs/dbraw/zinc/35/68/45/189356845.db2.gz PPVZCJVDVDQFKZ-RDJZCZTQSA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370434 189356846 /nfs/dbraw/zinc/35/68/46/189356846.db2.gz PPVZCJVDVDQFKZ-RDJZCZTQSA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302135904 201357973 /nfs/dbraw/zinc/35/79/73/201357973.db2.gz AZTNUKHLCVFJQA-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302135904 201357976 /nfs/dbraw/zinc/35/79/76/201357976.db2.gz AZTNUKHLCVFJQA-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449408107 239391799 /nfs/dbraw/zinc/39/17/99/239391799.db2.gz MDAFCBHVKXFVOE-LZLYRXPVSA-N 1 3 296.499 3.028 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000120535022 370778644 /nfs/dbraw/zinc/77/86/44/370778644.db2.gz XINHXVPKVOBNPD-INIZCTEOSA-N 1 3 288.435 3.073 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)CCN1 ZINC000335641084 212357495 /nfs/dbraw/zinc/35/74/95/212357495.db2.gz QKMIINQDUAITRR-YPMHNXCESA-N 1 3 260.406 3.131 20 0 CGADHO C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000422994169 299355430 /nfs/dbraw/zinc/35/54/30/299355430.db2.gz USRRENNXOPMLTG-GRDNDAEWSA-N 1 3 272.436 3.387 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)[C@H]1CCCNC1 ZINC000422994169 299355434 /nfs/dbraw/zinc/35/54/34/299355434.db2.gz USRRENNXOPMLTG-GRDNDAEWSA-N 1 3 272.436 3.387 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000335498512 212177316 /nfs/dbraw/zinc/17/73/16/212177316.db2.gz OAGNQRSSDYXJNY-HBGGEXNNSA-N 1 3 282.790 3.195 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322242 243187134 /nfs/dbraw/zinc/18/71/34/243187134.db2.gz ZKJAGHIUKSQMCV-CHWSQXEVSA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322242 243187139 /nfs/dbraw/zinc/18/71/39/243187139.db2.gz ZKJAGHIUKSQMCV-CHWSQXEVSA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322242 243187144 /nfs/dbraw/zinc/18/71/44/243187144.db2.gz ZKJAGHIUKSQMCV-CHWSQXEVSA-N 1 3 278.465 3.229 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483253517 243269608 /nfs/dbraw/zinc/26/96/08/243269608.db2.gz LGQVWJOLCLFYBQ-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422799404 299394717 /nfs/dbraw/zinc/39/47/17/299394717.db2.gz WPGQOHSOLXXULD-AALSBFMBSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCCN1 ZINC000422799404 299394720 /nfs/dbraw/zinc/39/47/20/299394720.db2.gz WPGQOHSOLXXULD-AALSBFMBSA-N 1 3 250.430 3.075 20 0 CGADHO c1ccc(C2CC([NH2+]CCCN3CCCC3)C2)cc1 ZINC000036840504 369032027 /nfs/dbraw/zinc/03/20/27/369032027.db2.gz UZCZHRDMCAQPLL-UHFFFAOYSA-N 1 3 258.409 3.008 20 0 CGADHO c1ccc(C2CC(NCCC[NH+]3CCCC3)C2)cc1 ZINC000036840504 369032030 /nfs/dbraw/zinc/03/20/30/369032030.db2.gz UZCZHRDMCAQPLL-UHFFFAOYSA-N 1 3 258.409 3.008 20 0 CGADHO C[NH+](C)CCCNC1CC(c2ccccc2Cl)C1 ZINC000036842655 369032631 /nfs/dbraw/zinc/03/26/31/369032631.db2.gz VQXXRNXWYSMDLR-UHFFFAOYSA-N 1 3 266.816 3.127 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644630 369094315 /nfs/dbraw/zinc/09/43/15/369094315.db2.gz KVCFFHFJCREFSL-SUMWQHHRSA-N 1 3 276.399 3.208 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644630 369094322 /nfs/dbraw/zinc/09/43/22/369094322.db2.gz KVCFFHFJCREFSL-SUMWQHHRSA-N 1 3 276.399 3.208 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644630 369094326 /nfs/dbraw/zinc/09/43/26/369094326.db2.gz KVCFFHFJCREFSL-SUMWQHHRSA-N 1 3 276.399 3.208 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000492817496 244031882 /nfs/dbraw/zinc/03/18/82/244031882.db2.gz KNIVZBLKISHDGV-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000038093564 369143832 /nfs/dbraw/zinc/14/38/32/369143832.db2.gz MPMSRUGEFZAVOH-UHFFFAOYSA-N 1 3 261.413 3.076 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000041631609 369193913 /nfs/dbraw/zinc/19/39/13/369193913.db2.gz HFHGDZLDQSYRBX-OLZOCXBDSA-N 1 3 278.465 3.445 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631609 369193918 /nfs/dbraw/zinc/19/39/18/369193918.db2.gz HFHGDZLDQSYRBX-OLZOCXBDSA-N 1 3 278.465 3.445 20 0 CGADHO C[C@@H](CC[NH2+]CCCN1CCCC1)c1ccccc1 ZINC000043532942 369253966 /nfs/dbraw/zinc/25/39/66/369253966.db2.gz DOADFZFJHKCMRT-INIZCTEOSA-N 1 3 260.425 3.256 20 0 CGADHO C[C@@H](CCNCCC[NH+]1CCCC1)c1ccccc1 ZINC000043532942 369253975 /nfs/dbraw/zinc/25/39/75/369253975.db2.gz DOADFZFJHKCMRT-INIZCTEOSA-N 1 3 260.425 3.256 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000494367059 244283363 /nfs/dbraw/zinc/28/33/63/244283363.db2.gz INESPPGPKLBKKR-AWEZNQCLSA-N 1 3 289.448 3.036 20 0 CGADHO CC1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000128037067 370959219 /nfs/dbraw/zinc/95/92/19/370959219.db2.gz AJFZMBOWHDINTN-QDIHITRGSA-N 1 3 250.430 3.029 20 0 CGADHO CCc1ccc(CN[C@@H](C)CCC[NH+](CC)CC)o1 ZINC000051721362 369453460 /nfs/dbraw/zinc/45/34/60/369453460.db2.gz JPAHFWOJROPGKQ-AWEZNQCLSA-N 1 3 266.429 3.442 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578282 370992414 /nfs/dbraw/zinc/99/24/14/370992414.db2.gz OPGYLELBNDOWBX-SLEUVZQESA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578282 370992418 /nfs/dbraw/zinc/99/24/18/370992418.db2.gz OPGYLELBNDOWBX-SLEUVZQESA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)CN1CCCC1 ZINC000062077526 369618044 /nfs/dbraw/zinc/61/80/44/369618044.db2.gz CRZPMTRMYSAXLZ-HOTGVXAUSA-N 1 3 290.451 3.035 20 0 CGADHO CC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000062077519 369618212 /nfs/dbraw/zinc/61/82/12/369618212.db2.gz BVBFDJNAAURXCK-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccccc1 ZINC000062077519 369618216 /nfs/dbraw/zinc/61/82/16/369618216.db2.gz BVBFDJNAAURXCK-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000066152299 369688108 /nfs/dbraw/zinc/68/81/08/369688108.db2.gz GFGXKXJWWXCVCJ-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H](C)c1ccccc1 ZINC000414855429 296148956 /nfs/dbraw/zinc/14/89/56/296148956.db2.gz NEERYFNSBGXNKC-PNBKFKSVSA-N 1 3 260.425 3.156 20 0 CGADHO C[NH2+]CCC1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000070188884 369787945 /nfs/dbraw/zinc/78/79/45/369787945.db2.gz JLUOQPYQLDCBQO-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090720256 370065415 /nfs/dbraw/zinc/06/54/15/370065415.db2.gz NUAZCMJXSXZXQE-PBHICJAKSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720256 370065418 /nfs/dbraw/zinc/06/54/18/370065418.db2.gz NUAZCMJXSXZXQE-PBHICJAKSA-N 1 3 260.425 3.382 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc3ccccc32)CC[N@@H+]1C ZINC000090721202 370066704 /nfs/dbraw/zinc/06/67/04/370066704.db2.gz CNSBBWBBFIWYBW-WMLDXEAASA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc3ccccc32)CC[N@H+]1C ZINC000090721202 370066709 /nfs/dbraw/zinc/06/67/09/370066709.db2.gz CNSBBWBBFIWYBW-WMLDXEAASA-N 1 3 268.404 3.412 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(C)ccc1OC ZINC000093399172 370121837 /nfs/dbraw/zinc/12/18/37/370121837.db2.gz KOOARLQPIYCFPJ-DOTOQJQBSA-N 1 3 290.451 3.386 20 0 CGADHO C1=CC[C@H](C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)CC1 ZINC000093563686 370140272 /nfs/dbraw/zinc/14/02/72/370140272.db2.gz YZDLRESFPMTBSL-DLBZAZTESA-N 1 3 262.441 3.293 20 0 CGADHO C1=CC[C@H](C[N@H+]2CCC[C@@H](N3CCCC3)CC2)CC1 ZINC000093563686 370140279 /nfs/dbraw/zinc/14/02/79/370140279.db2.gz YZDLRESFPMTBSL-DLBZAZTESA-N 1 3 262.441 3.293 20 0 CGADHO CC[C@H](C[C@H](C)CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000512986142 245060450 /nfs/dbraw/zinc/06/04/50/245060450.db2.gz GYSFZVDEUBJKOC-JKSUJKDBSA-N 1 3 296.499 3.170 20 0 CGADHO c1ccc(C2CCC([NH2+]C[C@H]3CCCNC3)CC2)cc1 ZINC000130897270 371068662 /nfs/dbraw/zinc/06/86/62/371068662.db2.gz ORRKZMPWBSBFGS-ZLPCBKJTSA-N 1 3 272.436 3.302 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000131222828 371091109 /nfs/dbraw/zinc/09/11/09/371091109.db2.gz SNGFUMSSASJEBG-OAHLLOKOSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000133685425 371271867 /nfs/dbraw/zinc/27/18/67/371271867.db2.gz XNIQTKXYIHKRNH-RDTXWAMCSA-N 1 3 272.436 3.358 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000220105983 376206387 /nfs/dbraw/zinc/20/63/87/376206387.db2.gz HOWOUNQTPJJFJH-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)c1 ZINC000148285952 371521481 /nfs/dbraw/zinc/52/14/81/371521481.db2.gz AJGRHHOFVPQWBO-ZBFHGGJFSA-N 1 3 276.424 3.220 20 0 CGADHO CC(C)N(Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000220362694 376207867 /nfs/dbraw/zinc/20/78/67/376207867.db2.gz MWSQNFIGBUCFNO-OAHLLOKOSA-N 1 3 264.388 3.036 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C)c2)C1 ZINC000151139315 371574142 /nfs/dbraw/zinc/57/41/42/371574142.db2.gz VENVBUKZZVTCEU-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C)c2)C1 ZINC000151139315 371574149 /nfs/dbraw/zinc/57/41/49/371574149.db2.gz VENVBUKZZVTCEU-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000151139315 371574153 /nfs/dbraw/zinc/57/41/53/371574153.db2.gz VENVBUKZZVTCEU-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc2cccnc12 ZINC000422558546 371750099 /nfs/dbraw/zinc/75/00/99/371750099.db2.gz BDETVWCTTAKELZ-SIIHOXLZSA-N 1 3 297.446 3.348 20 0 CGADHO CC(CN1C[C@@H]2CCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153127927 371752425 /nfs/dbraw/zinc/75/24/25/371752425.db2.gz VEJXTSKZGCWXLA-USTZCAOPSA-N 1 3 276.468 3.086 20 0 CGADHO CC(CN1C[C@@H]2CCC[C@@H]2C1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153127927 371752435 /nfs/dbraw/zinc/75/24/35/371752435.db2.gz VEJXTSKZGCWXLA-USTZCAOPSA-N 1 3 276.468 3.086 20 0 CGADHO CC(C)c1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422687623 371754227 /nfs/dbraw/zinc/75/42/27/371754227.db2.gz BOVXPDVZUMHLQC-LTCOOKNTSA-N 1 3 290.451 3.213 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703715 371760199 /nfs/dbraw/zinc/76/01/99/371760199.db2.gz NWOSZXNCMIKQRN-FUHWJXTLSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000422708907 371762367 /nfs/dbraw/zinc/76/23/67/371762367.db2.gz CIYRGFNJNLKPMM-KKUMJFAQSA-N 1 3 262.441 3.458 20 0 CGADHO Cc1ccc(CSCCN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422762045 371792408 /nfs/dbraw/zinc/79/24/08/371792408.db2.gz HZZZRXYZKWSSRT-WBVHZDCISA-N 1 3 292.492 3.206 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000422762045 371792417 /nfs/dbraw/zinc/79/24/17/371792417.db2.gz HZZZRXYZKWSSRT-WBVHZDCISA-N 1 3 292.492 3.206 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2c1C ZINC000422720452 371768707 /nfs/dbraw/zinc/76/87/07/371768707.db2.gz MNMTYHGYGZLCLX-RDJZCZTQSA-N 1 3 285.435 3.392 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])c1cccs1 ZINC000422733323 371772515 /nfs/dbraw/zinc/77/25/15/371772515.db2.gz AYEDGTJXSUTQFA-OLZOCXBDSA-N 1 3 266.454 3.275 20 0 CGADHO FC(F)(F)c1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422740464 371777441 /nfs/dbraw/zinc/77/74/41/371777441.db2.gz NNJFRKITRQFHQG-PBWFPOADSA-N 1 3 298.352 3.121 20 0 CGADHO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CCCCN1 ZINC000422743529 371780203 /nfs/dbraw/zinc/78/02/03/371780203.db2.gz RQPDTAVRDFDHIY-CHWSQXEVSA-N 1 3 295.496 3.103 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2cccc(Cl)c2)CC1 ZINC000422770206 371794223 /nfs/dbraw/zinc/79/42/23/371794223.db2.gz PWXVVKCTPGZLPN-NWDGAFQWSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422770206 371794231 /nfs/dbraw/zinc/79/42/31/371794231.db2.gz PWXVVKCTPGZLPN-NWDGAFQWSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCNc1ccccc1 ZINC000422766470 371795072 /nfs/dbraw/zinc/79/50/72/371795072.db2.gz XJHAPQUZSHKZTJ-WMZOPIPTSA-N 1 3 289.467 3.389 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000422839363 371834020 /nfs/dbraw/zinc/83/40/20/371834020.db2.gz ZZZFXSBOAVRCQO-CQSZACIVSA-N 1 3 297.446 3.477 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000153980133 371806273 /nfs/dbraw/zinc/80/62/73/371806273.db2.gz UMQJAXYPRPNOHQ-KGLIPLIRSA-N 1 3 280.843 3.375 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000422799003 371816876 /nfs/dbraw/zinc/81/68/76/371816876.db2.gz UPSULHVSVSOGMB-ZENOOKHLSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422877190 371850297 /nfs/dbraw/zinc/85/02/97/371850297.db2.gz HDCICMSCSLUGQS-KBPBESRZSA-N 1 3 278.415 3.353 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(F)cc2)CCCC1 ZINC000422877190 371850299 /nfs/dbraw/zinc/85/02/99/371850299.db2.gz HDCICMSCSLUGQS-KBPBESRZSA-N 1 3 278.415 3.353 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422876675 371850419 /nfs/dbraw/zinc/85/04/19/371850419.db2.gz GHBCQWLWDVVDIM-WMLDXEAASA-N 1 3 290.426 3.355 20 0 CGADHO Cc1ccccc1OCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422945267 371885303 /nfs/dbraw/zinc/88/53/03/371885303.db2.gz NHOTYAYKAMNQGX-IAGOWNOFSA-N 1 3 282.387 3.108 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422888181 371855258 /nfs/dbraw/zinc/85/52/58/371855258.db2.gz BYJGEQMPZOOTKY-MCIONIFRSA-N 1 3 294.439 3.260 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422892698 371856952 /nfs/dbraw/zinc/85/69/52/371856952.db2.gz ZHKOLTCOMIFRJS-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC000289935833 371857261 /nfs/dbraw/zinc/85/72/61/371857261.db2.gz YCJKKOAEUZBHRX-PBWFPOADSA-N 1 3 264.438 3.114 20 0 CGADHO Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC000289935833 371857265 /nfs/dbraw/zinc/85/72/65/371857265.db2.gz YCJKKOAEUZBHRX-PBWFPOADSA-N 1 3 264.438 3.114 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000422895569 371858925 /nfs/dbraw/zinc/85/89/25/371858925.db2.gz GEAKEKWQQPKMEI-WMZOPIPTSA-N 1 3 290.451 3.132 20 0 CGADHO CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422895575 371858983 /nfs/dbraw/zinc/85/89/83/371858983.db2.gz GEQNCPFJZCJHTA-IAGOWNOFSA-N 1 3 276.424 3.225 20 0 CGADHO CCCCOc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422895339 371859724 /nfs/dbraw/zinc/85/97/24/371859724.db2.gz FPVOFDPVQQUTTD-CABCVRRESA-N 1 3 278.440 3.123 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc1 ZINC000422895339 371859731 /nfs/dbraw/zinc/85/97/31/371859731.db2.gz FPVOFDPVQQUTTD-CABCVRRESA-N 1 3 278.440 3.123 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1ccccc1Cl ZINC000422918727 371869861 /nfs/dbraw/zinc/86/98/61/371869861.db2.gz IMPWEENZYQZDAG-NFAWXSAZSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1Cl ZINC000422918727 371869865 /nfs/dbraw/zinc/86/98/65/371869865.db2.gz IMPWEENZYQZDAG-NFAWXSAZSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1ccccc1C ZINC000422921537 371871962 /nfs/dbraw/zinc/87/19/62/371871962.db2.gz QIJONCSMPLGKBV-BBWFWOEESA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1C ZINC000422921537 371871969 /nfs/dbraw/zinc/87/19/69/371871969.db2.gz QIJONCSMPLGKBV-BBWFWOEESA-N 1 3 290.451 3.260 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(COc2ccccc2)cc1 ZINC000422925767 371873335 /nfs/dbraw/zinc/87/33/35/371873335.db2.gz BRJINIQDNNYKIU-HOTGVXAUSA-N 1 3 298.430 3.481 20 0 CGADHO CC[C@@H](CN[C@@H]1CCC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000422932302 371877404 /nfs/dbraw/zinc/87/74/04/371877404.db2.gz YZNMAAFKVFFWBM-CABCVRRESA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000422932306 371877499 /nfs/dbraw/zinc/87/74/99/371877499.db2.gz YZNMAAFKVFFWBM-HUUCEWRRSA-N 1 3 296.842 3.229 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423051325 371935609 /nfs/dbraw/zinc/93/56/09/371935609.db2.gz NPHBDZYBAWLUJK-XLAORIBOSA-N 1 3 288.435 3.014 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423053512 371937722 /nfs/dbraw/zinc/93/77/22/371937722.db2.gz SRAZFWXTEWNJBW-ZJPYXAASSA-N 1 3 288.435 3.156 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423060794 371941229 /nfs/dbraw/zinc/94/12/29/371941229.db2.gz IZIHUVBFRDCLHM-HOTGVXAUSA-N 1 3 294.389 3.246 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422982478 371901425 /nfs/dbraw/zinc/90/14/25/371901425.db2.gz QVPOGFNDCQSYOG-HDMKZQKVSA-N 1 3 290.451 3.186 20 0 CGADHO CCCOc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422994428 371905475 /nfs/dbraw/zinc/90/54/75/371905475.db2.gz VMSIVRCHQJYUBZ-SJLPKXTDSA-N 1 3 290.451 3.125 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@H]2CCNCC[C@H]2C)c(C)c1 ZINC000423007661 371912781 /nfs/dbraw/zinc/91/27/81/371912781.db2.gz YFGPUHWRZKKMES-KDOFPFPSSA-N 1 3 274.452 3.132 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCSCC(F)(F)F ZINC000423019548 371918806 /nfs/dbraw/zinc/91/88/06/371918806.db2.gz WDWOESANCJWPIQ-RYUDHWBXSA-N 1 3 298.418 3.182 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000423020864 371919100 /nfs/dbraw/zinc/91/91/00/371919100.db2.gz CZTPJVRKPBRPBJ-XKQJLSEDSA-N 1 3 276.399 3.310 20 0 CGADHO COCCC1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000423067144 371944384 /nfs/dbraw/zinc/94/43/84/371944384.db2.gz YPLFKTKATHHDTG-JKSUJKDBSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1cc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423033796 371926765 /nfs/dbraw/zinc/92/67/65/371926765.db2.gz GYELWFMQIMEBAI-XHDPSFHLSA-N 1 3 266.816 3.126 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[C@H]1CCCCO1 ZINC000423039542 371928171 /nfs/dbraw/zinc/92/81/71/371928171.db2.gz QUCDWXREWFJJHO-IXDOHACOSA-N 1 3 282.472 3.236 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092747 371958758 /nfs/dbraw/zinc/95/87/58/371958758.db2.gz DFZUTJULKPLZSB-WNOSKKOXSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092747 371958765 /nfs/dbraw/zinc/95/87/65/371958765.db2.gz DFZUTJULKPLZSB-WNOSKKOXSA-N 1 3 276.399 3.049 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423103112 371964787 /nfs/dbraw/zinc/96/47/87/371964787.db2.gz XPFKQLCMAMHBHZ-NGFQHRJXSA-N 1 3 298.352 3.421 20 0 CGADHO CSCc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423107991 371970079 /nfs/dbraw/zinc/97/00/79/371970079.db2.gz LXEBGUQFGXQMRV-BBRMVZONSA-N 1 3 278.465 3.027 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2sc(Cl)cc21 ZINC000423120648 371977127 /nfs/dbraw/zinc/97/71/27/371977127.db2.gz HDKKCMHDFHCAJC-DLOVCJGASA-N 1 3 284.856 3.496 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cc2ccccc2s1 ZINC000423126957 371979980 /nfs/dbraw/zinc/97/99/80/371979980.db2.gz BIRTZRUURLFXDZ-BBRMVZONSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423126957 371979987 /nfs/dbraw/zinc/97/99/87/371979987.db2.gz BIRTZRUURLFXDZ-BBRMVZONSA-N 1 3 288.460 3.422 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423128399 371980261 /nfs/dbraw/zinc/98/02/61/371980261.db2.gz CVQQLGGFWKPWFV-MTERUZRBSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423128178 371980370 /nfs/dbraw/zinc/98/03/70/371980370.db2.gz KNBYQWYSJNTVAY-FHLIZLRMSA-N 1 3 272.436 3.158 20 0 CGADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCC1 ZINC000423140681 371988028 /nfs/dbraw/zinc/98/80/28/371988028.db2.gz ZDEFJNTVMCTNAE-BRWVUGGUSA-N 1 3 294.483 3.094 20 0 CGADHO COc1cccc([C@H]2C[C@H](N[C@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000423149980 371992563 /nfs/dbraw/zinc/99/25/63/371992563.db2.gz BIGIBUHMJRAOPQ-AHCXZYCDSA-N 1 3 288.435 3.191 20 0 CGADHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCCC[C@H]3CN)C2)c1 ZINC000423154047 371994643 /nfs/dbraw/zinc/99/46/43/371994643.db2.gz IOIUFFNBLHTGNX-NBOOPKSLSA-N 1 3 288.435 3.048 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000423161331 371996162 /nfs/dbraw/zinc/99/61/62/371996162.db2.gz IZZMSSSLIFEMPS-KFWWJZLASA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000423161330 371996636 /nfs/dbraw/zinc/99/66/36/371996636.db2.gz IZZMSSSLIFEMPS-ILXRZTDVSA-N 1 3 252.446 3.181 20 0 CGADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423068720 371945573 /nfs/dbraw/zinc/94/55/73/371945573.db2.gz KTZMQQSRIUDSHH-YXYCDRMUSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(Cl)cc1 ZINC000423077800 371949857 /nfs/dbraw/zinc/94/98/57/371949857.db2.gz UPSULHVSVSOGMB-DVOMOZLQSA-N 1 3 296.842 3.085 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3CN)CCC2)cc1C ZINC000423085227 371954489 /nfs/dbraw/zinc/95/44/89/371954489.db2.gz JKSLLRMMYZESNE-SJLPKXTDSA-N 1 3 286.463 3.442 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000290553781 372016836 /nfs/dbraw/zinc/01/68/36/372016836.db2.gz RYPIMJGWMVLCRV-BPQIPLTHSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000290553781 372016839 /nfs/dbraw/zinc/01/68/39/372016839.db2.gz RYPIMJGWMVLCRV-BPQIPLTHSA-N 1 3 272.436 3.206 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(OC(F)F)cc1 ZINC000423193411 372018971 /nfs/dbraw/zinc/01/89/71/372018971.db2.gz QNXXXHLMJBNSPM-TZMCWYRMSA-N 1 3 284.350 3.081 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000157559170 372027980 /nfs/dbraw/zinc/02/79/80/372027980.db2.gz IGJREKUUFMAMTH-OAHLLOKOSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423204467 372028792 /nfs/dbraw/zinc/02/87/92/372028792.db2.gz AWJXMIKYJXEDCV-DNLWUEFJSA-N 1 3 264.457 3.464 20 0 CGADHO CCc1ccc([C@H](CC)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423214526 372034484 /nfs/dbraw/zinc/03/44/84/372034484.db2.gz PAWVGXQHNJKHHT-WBVHZDCISA-N 1 3 260.425 3.289 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000423214526 372034488 /nfs/dbraw/zinc/03/44/88/372034488.db2.gz PAWVGXQHNJKHHT-WBVHZDCISA-N 1 3 260.425 3.289 20 0 CGADHO CCc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000423217835 372036313 /nfs/dbraw/zinc/03/63/13/372036313.db2.gz QPGQSPUDJXRVFE-AGIUHOORSA-N 1 3 266.454 3.349 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423221439 372040417 /nfs/dbraw/zinc/04/04/17/372040417.db2.gz ZVZOKKXYDZUGPR-IGCXYCKISA-N 1 3 276.399 3.038 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC000423284005 372047774 /nfs/dbraw/zinc/04/77/74/372047774.db2.gz XXBYQZWUHCFBPH-RHSMWYFYSA-N 1 3 260.425 3.281 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000158125670 372053366 /nfs/dbraw/zinc/05/33/66/372053366.db2.gz PMLUWWKVVBARNJ-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000158125670 372053372 /nfs/dbraw/zinc/05/33/72/372053372.db2.gz PMLUWWKVVBARNJ-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H](CN)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423372605 372055092 /nfs/dbraw/zinc/05/50/92/372055092.db2.gz RFHWAFONEOASOQ-JOYOIKCWSA-N 1 3 270.829 3.204 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCCCC1)CC2 ZINC000423175300 372004516 /nfs/dbraw/zinc/00/45/16/372004516.db2.gz DNOAUFGVHYLCLI-INIZCTEOSA-N 1 3 258.409 3.234 20 0 CGADHO CC[C@@H](CN[C@@H](CC)[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423174401 372004782 /nfs/dbraw/zinc/00/47/82/372004782.db2.gz CAQRETCDYFWCLT-WOPDTQHZSA-N 1 3 266.351 3.085 20 0 CGADHO CC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCCN1)CC(F)(F)F ZINC000423174401 372004787 /nfs/dbraw/zinc/00/47/87/372004787.db2.gz CAQRETCDYFWCLT-WOPDTQHZSA-N 1 3 266.351 3.085 20 0 CGADHO COc1ccccc1-c1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000423177268 372006733 /nfs/dbraw/zinc/00/67/33/372006733.db2.gz IUDZFJYHIPKHKY-AWEZNQCLSA-N 1 3 284.403 3.362 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423177866 372007241 /nfs/dbraw/zinc/00/72/41/372007241.db2.gz JUYBLUKDVWEQGD-AWEZNQCLSA-N 1 3 276.424 3.398 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCCC1)c1cccc(OC)c1 ZINC000423181277 372008592 /nfs/dbraw/zinc/00/85/92/372008592.db2.gz ONYRGTKKWLOQQH-INIZCTEOSA-N 1 3 276.424 3.398 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@H](NCCC[C@H]1CCC[NH2+]1)CC2 ZINC000423489409 372068346 /nfs/dbraw/zinc/06/83/46/372068346.db2.gz WLKATHFTHZLQSK-DGCLKSJQSA-N 1 3 298.352 3.213 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425935751 372145298 /nfs/dbraw/zinc/14/52/98/372145298.db2.gz JPCMDJKKNHJAMW-AEFFLSMTSA-N 1 3 276.468 3.431 20 0 CGADHO COC1(C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)CCC1 ZINC000429349924 372353955 /nfs/dbraw/zinc/35/39/55/372353955.db2.gz AWXVLJQQTXJZPK-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO CC1=CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000293691397 372451091 /nfs/dbraw/zinc/45/10/91/372451091.db2.gz SHXLFXRBBAZPLV-KRWDZBQOSA-N 1 3 285.435 3.386 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000163189438 372451823 /nfs/dbraw/zinc/45/18/23/372451823.db2.gz URUBGKJTFUYNEN-GUYCJALGSA-N 1 3 254.377 3.009 20 0 CGADHO Cn1cccc1[C@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000163210635 372454229 /nfs/dbraw/zinc/45/42/29/372454229.db2.gz FBJOMWPANXAUBR-DOTOQJQBSA-N 1 3 275.440 3.036 20 0 CGADHO Cn1cccc1[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000163210635 372454232 /nfs/dbraw/zinc/45/42/32/372454232.db2.gz FBJOMWPANXAUBR-DOTOQJQBSA-N 1 3 275.440 3.036 20 0 CGADHO CC[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccncc1 ZINC000344558646 217230415 /nfs/dbraw/zinc/23/04/15/217230415.db2.gz YCMJEAIDMPMBHI-GOSISDBHSA-N 1 3 283.419 3.384 20 0 CGADHO CCN(Cc1ccc(F)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435388909 372755725 /nfs/dbraw/zinc/75/57/25/372755725.db2.gz HYSQDJRQRPNDEQ-HNNXBMFYSA-N 1 3 264.388 3.098 20 0 CGADHO Cc1ccccc1CCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000435623542 372786759 /nfs/dbraw/zinc/78/67/59/372786759.db2.gz HHXFDBFNYMJURS-QGZVFWFLSA-N 1 3 260.425 3.002 20 0 CGADHO Cc1ccccc1CCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000435623542 372786763 /nfs/dbraw/zinc/78/67/63/372786763.db2.gz HHXFDBFNYMJURS-QGZVFWFLSA-N 1 3 260.425 3.002 20 0 CGADHO Cc1ccccc1CCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435623542 372786767 /nfs/dbraw/zinc/78/67/67/372786767.db2.gz HHXFDBFNYMJURS-QGZVFWFLSA-N 1 3 260.425 3.002 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000438214746 372914528 /nfs/dbraw/zinc/91/45/28/372914528.db2.gz KRWDNXKYWLVPJV-KRWDZBQOSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1CCOc1cccc(C(C)(C)C)c1 ZINC000442768978 373074457 /nfs/dbraw/zinc/07/44/57/373074457.db2.gz PKBOQYXPWCWZRL-LSDHHAIUSA-N 1 3 290.451 3.032 20 0 CGADHO Fc1cccc(Cl)c1CCC[NH2+]CCCN1CCCC1 ZINC000446828416 373368103 /nfs/dbraw/zinc/36/81/03/373368103.db2.gz UNCMBDOZWDWHMP-UHFFFAOYSA-N 1 3 298.833 3.487 20 0 CGADHO Fc1cccc(Cl)c1CCCNCCC[NH+]1CCCC1 ZINC000446828416 373368110 /nfs/dbraw/zinc/36/81/10/373368110.db2.gz UNCMBDOZWDWHMP-UHFFFAOYSA-N 1 3 298.833 3.487 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000300411505 373629338 /nfs/dbraw/zinc/62/93/38/373629338.db2.gz NQYZOFQTPZRAEU-JKSUJKDBSA-N 1 3 252.446 3.275 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000070326614 541891447 /nfs/dbraw/zinc/89/14/47/541891447.db2.gz GRTIFBVPBYIWQK-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@H]1CCC[C@@H](NCCC[N@H+](C)C2CCCCC2)C1 ZINC000070326614 541891451 /nfs/dbraw/zinc/89/14/51/541891451.db2.gz GRTIFBVPBYIWQK-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@H]1CCC[C@@H](NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000070326614 541891454 /nfs/dbraw/zinc/89/14/54/541891454.db2.gz GRTIFBVPBYIWQK-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000178752889 373808797 /nfs/dbraw/zinc/80/87/97/373808797.db2.gz HQIKVGVIUABSRP-CQSZACIVSA-N 1 3 283.419 3.227 20 0 CGADHO Cc1[nH+]c2ccccc2c(N2CCN(CC3CC3)CC2)c1C ZINC000302062013 373818925 /nfs/dbraw/zinc/81/89/25/373818925.db2.gz CTGIVNYLYYVHCL-UHFFFAOYSA-N 1 3 295.430 3.384 20 0 CGADHO CCc1cc(N2CCC(CCC[NH+](C)C)CC2)ccn1 ZINC000450415956 374115258 /nfs/dbraw/zinc/11/52/58/374115258.db2.gz DFBJMORTEHEOSF-UHFFFAOYSA-N 1 3 275.440 3.202 20 0 CGADHO CCSCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000305941397 374123392 /nfs/dbraw/zinc/12/33/92/374123392.db2.gz BFHQUWZZDKIZMH-KGLIPLIRSA-N 1 3 258.475 3.030 20 0 CGADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(CO)c1 ZINC000305628533 374096219 /nfs/dbraw/zinc/09/62/19/374096219.db2.gz DIUZTHWCWPPSAF-HNNXBMFYSA-N 1 3 298.430 3.091 20 0 CGADHO CC(C)[N@@H+](C)C[C@H](C)Nc1ccnc2ccccc21 ZINC000311898659 374259407 /nfs/dbraw/zinc/25/94/07/374259407.db2.gz FJSXBKUDWNNHNE-ZDUSSCGKSA-N 1 3 257.381 3.375 20 0 CGADHO CC(C)[N@H+](C)C[C@H](C)Nc1ccnc2ccccc21 ZINC000311898659 374259418 /nfs/dbraw/zinc/25/94/18/374259418.db2.gz FJSXBKUDWNNHNE-ZDUSSCGKSA-N 1 3 257.381 3.375 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000312512062 374282432 /nfs/dbraw/zinc/28/24/32/374282432.db2.gz JUNJFQHKGIIWLQ-YESZJQIVSA-N 1 3 272.436 3.214 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)c(C)s1 ZINC000182741382 374320688 /nfs/dbraw/zinc/32/06/88/374320688.db2.gz QWOUOFCCFWBSMT-OCCSQVGLSA-N 1 3 266.454 3.500 20 0 CGADHO c1cc(N2CCC([NH2+][C@H]3CC4CCC3CC4)CC2)ccn1 ZINC000315621234 374330933 /nfs/dbraw/zinc/33/09/33/374330933.db2.gz VPPHITMCBPRYJU-JMLCCBQJSA-N 1 3 285.435 3.219 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000090858987 541965708 /nfs/dbraw/zinc/96/57/08/541965708.db2.gz ICVJVVBFOCLUIF-ZWKOTPCHSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000090858987 541965711 /nfs/dbraw/zinc/96/57/11/541965711.db2.gz ICVJVVBFOCLUIF-ZWKOTPCHSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000090856451 541964734 /nfs/dbraw/zinc/96/47/34/541964734.db2.gz ZFWLHCNUNFSBQC-HUUCEWRRSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H](N[C@@H](C)c1cccc(F)c1F)C1CC[NH+](C)CC1 ZINC000090963720 541964994 /nfs/dbraw/zinc/96/49/94/541964994.db2.gz WMIFFCKPDAQBJI-NEPJUHHUSA-N 1 3 282.378 3.346 20 0 CGADHO CCC(C)(C)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093279304 541981622 /nfs/dbraw/zinc/98/16/22/541981622.db2.gz OSKGLKJYXCKKKN-UHFFFAOYSA-N 1 3 278.440 3.247 20 0 CGADHO CCC(C)(C)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000093279304 541981624 /nfs/dbraw/zinc/98/16/24/541981624.db2.gz OSKGLKJYXCKKKN-UHFFFAOYSA-N 1 3 278.440 3.247 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185194418 374609784 /nfs/dbraw/zinc/60/97/84/374609784.db2.gz ZQSJLQUNRWFAAH-SJORKVTESA-N 1 3 296.499 3.289 20 0 CGADHO COCCC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000186884261 374932567 /nfs/dbraw/zinc/93/25/67/374932567.db2.gz DQXYBJSAVXWJQQ-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000335032730 375081495 /nfs/dbraw/zinc/08/14/95/375081495.db2.gz ZEVHCRHSMXEDAI-FUUBYGMNSA-N 1 3 282.790 3.137 20 0 CGADHO C[C@H](CN1CC[C@@H](C)[C@@H]1C)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000482896001 375172913 /nfs/dbraw/zinc/17/29/13/375172913.db2.gz TXLKWIQTGRWULM-QMHWVQJVSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN1CC[C@@H](C)[C@@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896001 375172918 /nfs/dbraw/zinc/17/29/18/375172918.db2.gz TXLKWIQTGRWULM-QMHWVQJVSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1CC[C@H](C)[C@@H]1C)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482896001 375172921 /nfs/dbraw/zinc/17/29/21/375172921.db2.gz TXLKWIQTGRWULM-QMHWVQJVSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000482896001 375172932 /nfs/dbraw/zinc/17/29/32/375172932.db2.gz TXLKWIQTGRWULM-QMHWVQJVSA-N 1 3 252.446 3.083 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000188693803 375256136 /nfs/dbraw/zinc/25/61/36/375256136.db2.gz VGHPNCOYEIPNQY-DOTOQJQBSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000188693803 375256143 /nfs/dbraw/zinc/25/61/43/375256143.db2.gz VGHPNCOYEIPNQY-DOTOQJQBSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)=CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000188454485 375218032 /nfs/dbraw/zinc/21/80/32/375218032.db2.gz OOTFRBLVHKCCTB-UHFFFAOYSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000188456790 375218392 /nfs/dbraw/zinc/21/83/92/375218392.db2.gz GBXJAXZBSDTHHE-UHFFFAOYSA-N 1 3 272.436 3.249 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335483059 375321730 /nfs/dbraw/zinc/32/17/30/375321730.db2.gz JAGSRGRNRCLVFJ-ZBFHGGJFSA-N 1 3 278.827 3.318 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@@H]1NC1CC[NH2+]CC1 ZINC000335483059 375321735 /nfs/dbraw/zinc/32/17/35/375321735.db2.gz JAGSRGRNRCLVFJ-ZBFHGGJFSA-N 1 3 278.827 3.318 20 0 CGADHO CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000491002872 375323126 /nfs/dbraw/zinc/32/31/26/375323126.db2.gz CZNOFRBQCCPIDM-RDJZCZTQSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H](C[NH2+]C[C@@H](C)CCc1ccccc1)CN(C)C ZINC000491543652 375330333 /nfs/dbraw/zinc/33/03/33/375330333.db2.gz GWUSZJAXLSZUER-JKSUJKDBSA-N 1 3 262.441 3.043 20 0 CGADHO Cc1c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cnn1C(C)C ZINC000191103322 375578322 /nfs/dbraw/zinc/57/83/22/375578322.db2.gz VEHNXVWILGKMIX-CYBMUJFWSA-N 1 3 280.460 3.011 20 0 CGADHO C[NH+](C)CC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000506944928 375668348 /nfs/dbraw/zinc/66/83/48/375668348.db2.gz VZKNPHCEBIPMGF-ARJAWSKDSA-N 1 3 276.399 3.113 20 0 CGADHO CC[C@H](C)C[N@H+](CC)Cc1cccc2c1CCNC2 ZINC000123999603 542029548 /nfs/dbraw/zinc/02/95/48/542029548.db2.gz JHNITIMIALTKDN-AWEZNQCLSA-N 1 3 260.425 3.200 20 0 CGADHO CC[C@H](C)C[N@@H+](CC)Cc1cccc2c1CCNC2 ZINC000123999603 542029552 /nfs/dbraw/zinc/02/95/52/542029552.db2.gz JHNITIMIALTKDN-AWEZNQCLSA-N 1 3 260.425 3.200 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000336691918 375904236 /nfs/dbraw/zinc/90/42/36/375904236.db2.gz AFINVKVDYXFZPS-OAHLLOKOSA-N 1 3 250.430 3.149 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000336691918 375904240 /nfs/dbraw/zinc/90/42/40/375904240.db2.gz AFINVKVDYXFZPS-OAHLLOKOSA-N 1 3 250.430 3.149 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCC[C@@H]31)CNCC2 ZINC000211880053 376134512 /nfs/dbraw/zinc/13/45/12/376134512.db2.gz AHARDSMJLLSFCR-WMZOPIPTSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCC[C@@H]31)CNCC2 ZINC000211880053 376134518 /nfs/dbraw/zinc/13/45/18/376134518.db2.gz AHARDSMJLLSFCR-WMZOPIPTSA-N 1 3 270.420 3.097 20 0 CGADHO CC(C)OC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000337234008 376153490 /nfs/dbraw/zinc/15/34/90/376153490.db2.gz AHASDTRTITZVGQ-OAHLLOKOSA-N 1 3 282.472 3.044 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000537294562 376161034 /nfs/dbraw/zinc/16/10/34/376161034.db2.gz FBAQPGDDMCCMTG-IKGGRYGDSA-N 1 3 296.499 3.148 20 0 CGADHO CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000337272579 376184076 /nfs/dbraw/zinc/18/40/76/376184076.db2.gz CFNACMXGAHDZEP-OWCLPIDISA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337272579 376184080 /nfs/dbraw/zinc/18/40/80/376184080.db2.gz CFNACMXGAHDZEP-OWCLPIDISA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272579 376184090 /nfs/dbraw/zinc/18/40/90/376184090.db2.gz CFNACMXGAHDZEP-OWCLPIDISA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC12CCC2)CN1CCCCC1 ZINC000337406611 376220232 /nfs/dbraw/zinc/22/02/32/376220232.db2.gz SQXWFWAHOVRTFJ-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO CCCC[C@H](CC)CC[NH2+]CC1=CCN(C)CC1 ZINC000538488232 376244515 /nfs/dbraw/zinc/24/45/15/376244515.db2.gz VSBAXGGNWLQMIJ-HNNXBMFYSA-N 1 3 252.446 3.444 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCCN(CC)CC ZINC000338279540 376311247 /nfs/dbraw/zinc/31/12/47/376311247.db2.gz JIULUIXBDPXHRW-LSDHHAIUSA-N 1 3 272.502 3.372 20 0 CGADHO COC[C@H](CC(C)C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000540152262 376360811 /nfs/dbraw/zinc/36/08/11/376360811.db2.gz TURJIFSWRIIBOO-SJORKVTESA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000540152262 376360819 /nfs/dbraw/zinc/36/08/19/376360819.db2.gz TURJIFSWRIIBOO-SJORKVTESA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152262 376360824 /nfs/dbraw/zinc/36/08/24/376360824.db2.gz TURJIFSWRIIBOO-SJORKVTESA-N 1 3 284.488 3.005 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000226540296 376362726 /nfs/dbraw/zinc/36/27/26/376362726.db2.gz IKAULIFSHFTQON-GMXVVIOVSA-N 1 3 286.341 3.436 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000227128939 376382395 /nfs/dbraw/zinc/38/23/95/376382395.db2.gz AVWJQZMGCBCJKC-FPMFFAJLSA-N 1 3 264.438 3.233 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000227329715 376390131 /nfs/dbraw/zinc/39/01/31/376390131.db2.gz HKLIUEUOABAHGT-DZGCQCFKSA-N 1 3 276.424 3.225 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](CN(C)CC)C2)C1 ZINC000541536099 376454503 /nfs/dbraw/zinc/45/45/03/376454503.db2.gz YAJHHHDRQUZRAX-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](CN(C)CC)C2)C1 ZINC000541536099 376454505 /nfs/dbraw/zinc/45/45/05/376454505.db2.gz YAJHHHDRQUZRAX-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000541559115 376458651 /nfs/dbraw/zinc/45/86/51/376458651.db2.gz SLYMMOKRFKUFEM-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCOC3CCCCCC3)CC[C@@H]21 ZINC000158741256 542144591 /nfs/dbraw/zinc/14/45/91/542144591.db2.gz PKHYUTCUMUQEEA-AEFFLSMTSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCOC3CCCCCC3)CC[C@@H]21 ZINC000158741256 542144596 /nfs/dbraw/zinc/14/45/96/542144596.db2.gz PKHYUTCUMUQEEA-AEFFLSMTSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H]2CCC[C@@H]21 ZINC000556887596 376900676 /nfs/dbraw/zinc/90/06/76/376900676.db2.gz ZMDHSPUWNFTAHO-BZSNNMDCSA-N 1 3 298.430 3.438 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H]2CCC[C@@H]21 ZINC000556887596 376900680 /nfs/dbraw/zinc/90/06/80/376900680.db2.gz ZMDHSPUWNFTAHO-BZSNNMDCSA-N 1 3 298.430 3.438 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245787337 376908418 /nfs/dbraw/zinc/90/84/18/376908418.db2.gz VNEMPINBGGTLJK-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245787337 376908424 /nfs/dbraw/zinc/90/84/24/376908424.db2.gz VNEMPINBGGTLJK-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1C ZINC000246095114 376963836 /nfs/dbraw/zinc/96/38/36/376963836.db2.gz IWVDLVMCEHLDDF-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1C ZINC000246095114 376963845 /nfs/dbraw/zinc/96/38/45/376963845.db2.gz IWVDLVMCEHLDDF-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000246095114 376963849 /nfs/dbraw/zinc/96/38/49/376963849.db2.gz IWVDLVMCEHLDDF-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000246095114 376963858 /nfs/dbraw/zinc/96/38/58/376963858.db2.gz IWVDLVMCEHLDDF-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CCCN(C2CCC2)C1 ZINC000558695657 377032106 /nfs/dbraw/zinc/03/21/06/377032106.db2.gz MULQKCVOURPMFD-YDRHNJASSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246641225 377065865 /nfs/dbraw/zinc/06/58/65/377065865.db2.gz JPYVXXHJBVYNJN-SJORKVTESA-N 1 3 264.457 3.300 20 0 CGADHO CCc1ccccc1CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559312385 377078168 /nfs/dbraw/zinc/07/81/68/377078168.db2.gz SWHMWJCYENBIBV-LJQANCHMSA-N 1 3 286.463 3.209 20 0 CGADHO CCc1ccccc1CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559312385 377078175 /nfs/dbraw/zinc/07/81/75/377078175.db2.gz SWHMWJCYENBIBV-LJQANCHMSA-N 1 3 286.463 3.209 20 0 CGADHO C[C@@H](F)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000340468416 377079068 /nfs/dbraw/zinc/07/90/68/377079068.db2.gz SYPCVRXTHGDPOT-CYBMUJFWSA-N 1 3 256.409 3.121 20 0 CGADHO C[C@@H](F)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000340468416 377079074 /nfs/dbraw/zinc/07/90/74/377079074.db2.gz SYPCVRXTHGDPOT-CYBMUJFWSA-N 1 3 256.409 3.121 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246846622 377102576 /nfs/dbraw/zinc/10/25/76/377102576.db2.gz VKZNZLYAZJPMSV-CVEARBPZSA-N 1 3 250.430 3.053 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000246849045 377104744 /nfs/dbraw/zinc/10/47/44/377104744.db2.gz COBMJNANGQVFGR-WBVHZDCISA-N 1 3 288.435 3.140 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)[C@@H](C)C1 ZINC000246984258 377131967 /nfs/dbraw/zinc/13/19/67/377131967.db2.gz JWCRSVSDEXIGNM-DOTOQJQBSA-N 1 3 290.451 3.294 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247148308 377167053 /nfs/dbraw/zinc/16/70/53/377167053.db2.gz WSTREONORZGMRT-IXDOHACOSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247148308 377167058 /nfs/dbraw/zinc/16/70/58/377167058.db2.gz WSTREONORZGMRT-IXDOHACOSA-N 1 3 290.451 3.001 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2cccc3cccnc32)[C@@H](C)C1 ZINC000247184046 377171774 /nfs/dbraw/zinc/17/17/74/377171774.db2.gz SIQNWLJEWSGOQF-WMLDXEAASA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2cccc3cccnc32)[C@@H](C)C1 ZINC000247184046 377171779 /nfs/dbraw/zinc/17/17/79/377171779.db2.gz SIQNWLJEWSGOQF-WMLDXEAASA-N 1 3 283.419 3.055 20 0 CGADHO C[C@H]1CC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000560559569 377173703 /nfs/dbraw/zinc/17/37/03/377173703.db2.gz YOTNTYQISADXGU-OHFALNGGSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccoc1 ZINC000247230627 377180224 /nfs/dbraw/zinc/18/02/24/377180224.db2.gz YGCYMBLFNNMFDW-LSDHHAIUSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccoc1 ZINC000247230627 377180237 /nfs/dbraw/zinc/18/02/37/377180237.db2.gz YGCYMBLFNNMFDW-LSDHHAIUSA-N 1 3 264.413 3.442 20 0 CGADHO COCc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)o1 ZINC000248615087 377363806 /nfs/dbraw/zinc/36/38/06/377363806.db2.gz KAEUIMJVWFGURF-ZBFHGGJFSA-N 1 3 292.423 3.047 20 0 CGADHO COCc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCN2C)o1 ZINC000248615087 377363814 /nfs/dbraw/zinc/36/38/14/377363814.db2.gz KAEUIMJVWFGURF-ZBFHGGJFSA-N 1 3 292.423 3.047 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000248612145 377364181 /nfs/dbraw/zinc/36/41/81/377364181.db2.gz XXMIPRVDUDFGRZ-YQQAZPJKSA-N 1 3 260.425 3.253 20 0 CGADHO Cc1ccc(C[C@@H](NCCC[NH2+]C(C)C)C2CC2)cc1 ZINC000562956247 377378042 /nfs/dbraw/zinc/37/80/42/377378042.db2.gz LCFJNVOYRJYPFE-GOSISDBHSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]CCCNC(C)C)C2CC2)cc1 ZINC000562956247 377378046 /nfs/dbraw/zinc/37/80/46/377378046.db2.gz LCFJNVOYRJYPFE-GOSISDBHSA-N 1 3 274.452 3.294 20 0 CGADHO CCc1nc([C@@H](C)N[C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000162423622 542163429 /nfs/dbraw/zinc/16/34/29/542163429.db2.gz YUWYEJWJXQESRM-NWDGAFQWSA-N 1 3 281.469 3.086 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166481829 542175834 /nfs/dbraw/zinc/17/58/34/542175834.db2.gz BUBZXCNRURAKLR-IAGOWNOFSA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166481829 542175839 /nfs/dbraw/zinc/17/58/39/542175839.db2.gz BUBZXCNRURAKLR-IAGOWNOFSA-N 1 3 290.426 3.320 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(F)c2)CCCCC1 ZINC000422907770 249127664 /nfs/dbraw/zinc/12/76/64/249127664.db2.gz XMAULCJZRMOWFC-DLBZAZTESA-N 1 3 290.426 3.497 20 0 CGADHO c1cc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2cn1 ZINC000168649237 542177713 /nfs/dbraw/zinc/17/77/13/542177713.db2.gz NNWOGFRCYDZHFL-UHFFFAOYSA-N 1 3 295.430 3.199 20 0 CGADHO Fc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000250108678 377550574 /nfs/dbraw/zinc/55/05/74/377550574.db2.gz GYZKVPHBPZQVPS-CCRGXQTGSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250108678 377550579 /nfs/dbraw/zinc/55/05/79/377550579.db2.gz GYZKVPHBPZQVPS-CCRGXQTGSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc(/C=C\CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000470015590 249166013 /nfs/dbraw/zinc/16/60/13/249166013.db2.gz OPIFDSICYKMXGB-LHRDXKRPSA-N 1 3 288.410 3.303 20 0 CGADHO CCC[C@@H](CN1CC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021236 249166126 /nfs/dbraw/zinc/16/61/26/249166126.db2.gz SOQAPZQPUANADW-RDJZCZTQSA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@@H](C[N@@H+]1CC[C@@H](CNC)C1)c1ccccc1 ZINC000470021236 249166127 /nfs/dbraw/zinc/16/61/27/249166127.db2.gz SOQAPZQPUANADW-RDJZCZTQSA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@@H](C[N@H+]1CC[C@@H](CNC)C1)c1ccccc1 ZINC000470021236 249166129 /nfs/dbraw/zinc/16/61/29/249166129.db2.gz SOQAPZQPUANADW-RDJZCZTQSA-N 1 3 260.425 3.112 20 0 CGADHO C(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000250855005 377567572 /nfs/dbraw/zinc/56/75/72/377567572.db2.gz PCBTXIGUWCSRNI-RCCFBDPRSA-N 1 3 294.483 3.236 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@H](C[NH+](C)C)C2)c1C ZINC000515073290 249200615 /nfs/dbraw/zinc/20/06/15/249200615.db2.gz GZNUQNIJWPIWAM-OAHLLOKOSA-N 1 3 283.419 3.240 20 0 CGADHO Cc1ccc(F)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000515093025 249201576 /nfs/dbraw/zinc/20/15/76/249201576.db2.gz BVIQNGRKLBLCDO-MRXNPFEDSA-N 1 3 290.426 3.298 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251171268 377576149 /nfs/dbraw/zinc/57/61/49/377576149.db2.gz PKKWOFREDYOTMS-BRWVUGGUSA-N 1 3 258.409 3.005 20 0 CGADHO C[C@@H](CC[N@@H+]1CCCC[C@H]1CCN)c1ccccc1 ZINC000251239491 377577967 /nfs/dbraw/zinc/57/79/67/377577967.db2.gz RXRLIYTVQZFIMY-RDJZCZTQSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@@H](CC[N@H+]1CCCC[C@H]1CCN)c1ccccc1 ZINC000251239491 377577975 /nfs/dbraw/zinc/57/79/75/377577975.db2.gz RXRLIYTVQZFIMY-RDJZCZTQSA-N 1 3 260.425 3.384 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccc3ccccc3c2)C1 ZINC000517041289 249255626 /nfs/dbraw/zinc/25/56/26/249255626.db2.gz LUTDBLQYKAXUJT-DLBZAZTESA-N 1 3 284.403 3.078 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000251690879 377595788 /nfs/dbraw/zinc/59/57/88/377595788.db2.gz AUXYUDVOQPNKPQ-OXGONZEZSA-N 1 3 252.446 3.307 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@H]1C ZINC000251914245 377604841 /nfs/dbraw/zinc/60/48/41/377604841.db2.gz UFGIIYXFMPRHRZ-IBEHDNSVSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCCC1 ZINC000252139901 377615048 /nfs/dbraw/zinc/61/50/48/377615048.db2.gz MCDPXEGVROTIMG-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCSc2ccccc21 ZINC000252716224 377655790 /nfs/dbraw/zinc/65/57/90/377655790.db2.gz XYQDMUVCWYDRLA-BPLDGKMQSA-N 1 3 276.449 3.153 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCSc2ccccc21 ZINC000252716224 377655798 /nfs/dbraw/zinc/65/57/98/377655798.db2.gz XYQDMUVCWYDRLA-BPLDGKMQSA-N 1 3 276.449 3.153 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261694595 377840342 /nfs/dbraw/zinc/84/03/42/377840342.db2.gz NPCHEAZSTXRRET-UEEZHKSASA-N 1 3 296.361 3.018 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261957378 377872768 /nfs/dbraw/zinc/87/27/68/377872768.db2.gz OUDQNOSVFRAZQZ-WMLDXEAASA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261957378 377872778 /nfs/dbraw/zinc/87/27/78/377872778.db2.gz OUDQNOSVFRAZQZ-WMLDXEAASA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261957378 377872783 /nfs/dbraw/zinc/87/27/83/377872783.db2.gz OUDQNOSVFRAZQZ-WMLDXEAASA-N 1 3 278.415 3.454 20 0 CGADHO C[C@]1(CN2CCC(C)(c3ccccc3)CC2)CC[NH2+]C1 ZINC000261981728 377875534 /nfs/dbraw/zinc/87/55/34/377875534.db2.gz JGCNFMVNKUUZNY-KRWDZBQOSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000262032225 377883045 /nfs/dbraw/zinc/88/30/45/377883045.db2.gz XHTFJWFREQSMPF-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000262032225 377883048 /nfs/dbraw/zinc/88/30/48/377883048.db2.gz XHTFJWFREQSMPF-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000262032229 377883149 /nfs/dbraw/zinc/88/31/49/377883149.db2.gz XHTFJWFREQSMPF-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000262032229 377883150 /nfs/dbraw/zinc/88/31/50/377883150.db2.gz XHTFJWFREQSMPF-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO COc1ccc2cc(CN(C)[C@H]3CCC[NH2+]CC3)ccc2c1 ZINC000262489776 377899106 /nfs/dbraw/zinc/89/91/06/377899106.db2.gz KVUHNALEUOEFJC-SFHVURJKSA-N 1 3 298.430 3.422 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)s1 ZINC000261719789 377844614 /nfs/dbraw/zinc/84/46/14/377844614.db2.gz NFXSRZVCLKGHAW-WBVHZDCISA-N 1 3 286.444 3.231 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)s1 ZINC000261719789 377844625 /nfs/dbraw/zinc/84/46/25/377844625.db2.gz NFXSRZVCLKGHAW-WBVHZDCISA-N 1 3 286.444 3.231 20 0 CGADHO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261719789 377844632 /nfs/dbraw/zinc/84/46/32/377844632.db2.gz NFXSRZVCLKGHAW-WBVHZDCISA-N 1 3 286.444 3.231 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCOc2ccc3ccccc3c2)C1 ZINC000261819695 377857575 /nfs/dbraw/zinc/85/75/75/377857575.db2.gz APQDTDZCBDUCFY-QAPCUYQASA-N 1 3 298.430 3.278 20 0 CGADHO Clc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC000343093862 377901142 /nfs/dbraw/zinc/90/11/42/377901142.db2.gz ZURIXCTWIWSNMS-INIZCTEOSA-N 1 3 278.827 3.403 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781228 378192627 /nfs/dbraw/zinc/19/26/27/378192627.db2.gz PFRBSSJFADMKPH-KRWDZBQOSA-N 1 3 288.479 3.410 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781228 378192637 /nfs/dbraw/zinc/19/26/37/378192637.db2.gz PFRBSSJFADMKPH-KRWDZBQOSA-N 1 3 288.479 3.410 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781228 378192645 /nfs/dbraw/zinc/19/26/45/378192645.db2.gz PFRBSSJFADMKPH-KRWDZBQOSA-N 1 3 288.479 3.410 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H](C)CC(C)(C)C)[C@@H]1CCCNC1 ZINC000579945178 378210315 /nfs/dbraw/zinc/21/03/15/378210315.db2.gz WFAQHRHEZQBMEQ-RBSFLKMASA-N 1 3 254.462 3.427 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344290798 378166922 /nfs/dbraw/zinc/16/69/22/378166922.db2.gz MOPSYNLTBVBWIH-KRWDZBQOSA-N 1 3 274.383 3.055 20 0 CGADHO c1ccc2c(c1)cccc2CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580834540 378262699 /nfs/dbraw/zinc/26/26/99/378262699.db2.gz SVADNNOAUBUJPP-LJQANCHMSA-N 1 3 280.415 3.415 20 0 CGADHO c1ccc2c(c1)cccc2C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000580834540 378262701 /nfs/dbraw/zinc/26/27/01/378262701.db2.gz SVADNNOAUBUJPP-LJQANCHMSA-N 1 3 280.415 3.415 20 0 CGADHO c1ccc2c(c1)cccc2C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000580834540 378262705 /nfs/dbraw/zinc/26/27/05/378262705.db2.gz SVADNNOAUBUJPP-LJQANCHMSA-N 1 3 280.415 3.415 20 0 CGADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000582387711 378309985 /nfs/dbraw/zinc/30/99/85/378309985.db2.gz IYZUZGFHDRIIAF-MAUKXSAKSA-N 1 3 290.451 3.247 20 0 CGADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000582387711 378309990 /nfs/dbraw/zinc/30/99/90/378309990.db2.gz IYZUZGFHDRIIAF-MAUKXSAKSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000583806380 378348739 /nfs/dbraw/zinc/34/87/39/378348739.db2.gz BAANXRPCRPUYGK-XMTFNYHQSA-N 1 3 296.499 3.338 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000583806380 378348743 /nfs/dbraw/zinc/34/87/43/378348743.db2.gz BAANXRPCRPUYGK-XMTFNYHQSA-N 1 3 296.499 3.338 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000583806379 378349453 /nfs/dbraw/zinc/34/94/53/378349453.db2.gz BAANXRPCRPUYGK-WNRNVDISSA-N 1 3 296.499 3.338 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000583806379 378349458 /nfs/dbraw/zinc/34/94/58/378349458.db2.gz BAANXRPCRPUYGK-WNRNVDISSA-N 1 3 296.499 3.338 20 0 CGADHO COc1ccc([C@@H]([NH2+]CC2=CCN(C)CC2)C(C)C)cc1 ZINC000271810970 378506986 /nfs/dbraw/zinc/50/69/86/378506986.db2.gz ASZJEAAQEBVATA-SFHVURJKSA-N 1 3 288.435 3.244 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)c1 ZINC000346846224 378695058 /nfs/dbraw/zinc/69/50/58/378695058.db2.gz NNTTZVPXNQJEDD-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)c1 ZINC000346846224 378695062 /nfs/dbraw/zinc/69/50/62/378695062.db2.gz NNTTZVPXNQJEDD-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@H]2CCC[NH2+]C2)c1 ZINC000346846224 378695067 /nfs/dbraw/zinc/69/50/67/378695067.db2.gz NNTTZVPXNQJEDD-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cc(CN2CCC(CCC[NH+](C)C)CC2)sn1 ZINC000638122016 378707613 /nfs/dbraw/zinc/70/76/13/378707613.db2.gz NUBWAZLVCMNRRE-UHFFFAOYSA-N 1 3 281.469 3.005 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000360275449 296281578 /nfs/dbraw/zinc/28/15/78/296281578.db2.gz RHWMKJQAECRZTE-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(NC[C@@H](c2ccsc2)N(C)C)cc[nH+]1 ZINC000274778159 378893562 /nfs/dbraw/zinc/89/35/62/378893562.db2.gz UNSGSPLYUUSOOB-AWEZNQCLSA-N 1 3 261.394 3.166 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004654 218089127 /nfs/dbraw/zinc/08/91/27/218089127.db2.gz AIVBGFXYYVYJLS-KXBFYZLASA-N 1 3 295.430 3.308 20 0 CGADHO CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)OC ZINC000638971050 378961559 /nfs/dbraw/zinc/96/15/59/378961559.db2.gz PIIGAQYTXXFWGA-LHHMISFZSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638971050 378961562 /nfs/dbraw/zinc/96/15/62/378961562.db2.gz PIIGAQYTXXFWGA-LHHMISFZSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971050 378961567 /nfs/dbraw/zinc/96/15/67/378961567.db2.gz PIIGAQYTXXFWGA-LHHMISFZSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000638971936 378963398 /nfs/dbraw/zinc/96/33/98/378963398.db2.gz RTTHSUFWBFLLRY-TUVASFSCSA-N 1 3 282.497 3.123 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000347186332 218148718 /nfs/dbraw/zinc/14/87/18/218148718.db2.gz BSCXOBNMDYRGNZ-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H](C)CN1CCCC1)Cc1ccccc1 ZINC000347320939 218189789 /nfs/dbraw/zinc/18/97/89/218189789.db2.gz JOQRUJKVWNJLHV-IAGOWNOFSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003319 379043678 /nfs/dbraw/zinc/04/36/78/379043678.db2.gz ASSAGBNZAPFWEE-KCQAQPDRSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003319 379043689 /nfs/dbraw/zinc/04/36/89/379043689.db2.gz ASSAGBNZAPFWEE-KCQAQPDRSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC(F)(F)C1 ZINC000277160646 379085158 /nfs/dbraw/zinc/08/51/58/379085158.db2.gz QYFYZPRHQMBUGV-CZUORRHYSA-N 1 3 294.389 3.284 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC(F)(F)C1 ZINC000277160646 379085163 /nfs/dbraw/zinc/08/51/63/379085163.db2.gz QYFYZPRHQMBUGV-CZUORRHYSA-N 1 3 294.389 3.284 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277184449 379092923 /nfs/dbraw/zinc/09/29/23/379092923.db2.gz LLECZORWAPXLSI-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277184449 379092929 /nfs/dbraw/zinc/09/29/29/379092929.db2.gz LLECZORWAPXLSI-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCC1CCCC1 ZINC000371294447 379132448 /nfs/dbraw/zinc/13/24/48/379132448.db2.gz KVLQHKUUIHLILU-KZNAEPCWSA-N 1 3 294.483 3.140 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc3occc3c2)CC1 ZINC000347595838 218284734 /nfs/dbraw/zinc/28/47/34/218284734.db2.gz UVLWOBMBGYPJPB-UHFFFAOYSA-N 1 3 272.392 3.206 20 0 CGADHO c1cc(CN2CCC(C[NH+]3CCCC3)CC2)cc2c1CCC2 ZINC000350146922 379519629 /nfs/dbraw/zinc/51/96/29/379519629.db2.gz NWZPQQRCNVRPLC-UHFFFAOYSA-N 1 3 298.474 3.483 20 0 CGADHO CC(C)[C@@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000280454051 379709438 /nfs/dbraw/zinc/70/94/38/379709438.db2.gz ZCEVEWGXTZWVSF-GOSISDBHSA-N 1 3 272.436 3.278 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1cccc(-c2ccncc2)c1 ZINC000352544948 379850788 /nfs/dbraw/zinc/85/07/88/379850788.db2.gz DZPVEDOMUAESGT-LJQANCHMSA-N 1 3 295.430 3.452 20 0 CGADHO CCC1(C[N@H+](CCCN)CC2CCCC2)CCOCC1 ZINC000352546149 379852622 /nfs/dbraw/zinc/85/26/22/379852622.db2.gz QIVPXANHJARUQU-UHFFFAOYSA-N 1 3 282.472 3.034 20 0 CGADHO CCC1(C[N@@H+](CCCN)CC2CCCC2)CCOCC1 ZINC000352546149 379852631 /nfs/dbraw/zinc/85/26/31/379852631.db2.gz QIVPXANHJARUQU-UHFFFAOYSA-N 1 3 282.472 3.034 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000392272155 379911646 /nfs/dbraw/zinc/91/16/46/379911646.db2.gz VLBUYJCMXTZNNG-DHBQWTBNSA-N 1 3 288.479 3.443 20 0 CGADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)C1CCCCCC1 ZINC000394532733 379919821 /nfs/dbraw/zinc/91/98/21/379919821.db2.gz LSBFCOKSGDRVTF-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)[C@H]1CC1(C)C ZINC000397669800 379924410 /nfs/dbraw/zinc/92/44/10/379924410.db2.gz FLMUPEJFSXZCDY-KFWWJZLASA-N 1 3 252.446 3.131 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)CC(F)(F)F ZINC000402720803 379972071 /nfs/dbraw/zinc/97/20/71/379972071.db2.gz XWJVACGAPHAUJZ-QJPTWQEYSA-N 1 3 266.351 3.072 20 0 CGADHO CCc1ccc(CNCCCCC[NH+]2CCCCC2)cn1 ZINC000352762310 379946067 /nfs/dbraw/zinc/94/60/67/379946067.db2.gz FEWSEVCXIDQROB-UHFFFAOYSA-N 1 3 289.467 3.390 20 0 CGADHO C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@@H]1CCCN1 ZINC000400340186 379949321 /nfs/dbraw/zinc/94/93/21/379949321.db2.gz HDXYITWTXOIXDK-KUQKPQIMSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1=CCN(C)CC1 ZINC000282796309 379991154 /nfs/dbraw/zinc/99/11/54/379991154.db2.gz ZARTZLFWFNDGML-ZDUSSCGKSA-N 1 3 278.827 3.123 20 0 CGADHO CC1(C)CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000284595377 380140434 /nfs/dbraw/zinc/14/04/34/380140434.db2.gz ZVKZVUZRJSJAEV-MRXNPFEDSA-N 1 3 273.424 3.076 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394593 380093629 /nfs/dbraw/zinc/09/36/29/380093629.db2.gz BZRHLLZNBJZJSH-HOTGVXAUSA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394593 380093631 /nfs/dbraw/zinc/09/36/31/380093631.db2.gz BZRHLLZNBJZJSH-HOTGVXAUSA-N 1 3 254.462 3.332 20 0 CGADHO CSC1(CN[C@@H](C)c2cc(C)oc2C)CC[NH+](C)CC1 ZINC000353639453 380217246 /nfs/dbraw/zinc/21/72/46/380217246.db2.gz DEBZDHRHKNIIQX-ZDUSSCGKSA-N 1 3 296.480 3.374 20 0 CGADHO CSC1(C[NH2+][C@@H](C)c2cc(C)oc2C)CCN(C)CC1 ZINC000353639453 380217251 /nfs/dbraw/zinc/21/72/51/380217251.db2.gz DEBZDHRHKNIIQX-ZDUSSCGKSA-N 1 3 296.480 3.374 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000643463539 380311932 /nfs/dbraw/zinc/31/19/32/380311932.db2.gz COCIJQYOSKADAA-DOTOQJQBSA-N 1 3 274.452 3.461 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)[C@@H]1CCCCO1 ZINC000643466784 380313176 /nfs/dbraw/zinc/31/31/76/380313176.db2.gz NLXCDBBYKAJUGV-IKGGRYGDSA-N 1 3 296.499 3.482 20 0 CGADHO CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCCCO1 ZINC000643466738 380313533 /nfs/dbraw/zinc/31/35/33/380313533.db2.gz LWQQGEMNQJPAQJ-ZACQAIPSSA-N 1 3 288.435 3.316 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(-c2ccccc2)cc1 ZINC000643467714 380315156 /nfs/dbraw/zinc/31/51/56/380315156.db2.gz WZRBGULHFKXRFI-RBUKOAKNSA-N 1 3 280.415 3.366 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000643548749 380364562 /nfs/dbraw/zinc/36/45/62/380364562.db2.gz URFOFVMBLDNKRO-MSOLQXFVSA-N 1 3 284.447 3.198 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]C3(CCC3)C1)[C@H](C)C2 ZINC000643548545 380364614 /nfs/dbraw/zinc/36/46/14/380364614.db2.gz QOWJHKSHBZYEQZ-UWWQBHOKSA-N 1 3 284.447 3.493 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)[C@H](C)C2 ZINC000643548545 380364621 /nfs/dbraw/zinc/36/46/21/380364621.db2.gz QOWJHKSHBZYEQZ-UWWQBHOKSA-N 1 3 284.447 3.493 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548851 380364772 /nfs/dbraw/zinc/36/47/72/380364772.db2.gz WCODDSZHEPRHRV-DOTOQJQBSA-N 1 3 288.410 3.467 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548677 380365093 /nfs/dbraw/zinc/36/50/93/380365093.db2.gz SXUXKEGXETVLAW-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(OC)cc2)C[C@H]1C ZINC000354226449 380369327 /nfs/dbraw/zinc/36/93/27/380369327.db2.gz WDRGZNXFHQNMOI-WBVHZDCISA-N 1 3 290.451 3.042 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(OC)cc2)C[C@H]1C ZINC000354226449 380369336 /nfs/dbraw/zinc/36/93/36/380369336.db2.gz WDRGZNXFHQNMOI-WBVHZDCISA-N 1 3 290.451 3.042 20 0 CGADHO C[C@H]1C[C@@H](CN(Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681325 380370891 /nfs/dbraw/zinc/37/08/91/380370891.db2.gz OVPHAZIEQIKSQA-KBPBESRZSA-N 1 3 276.399 3.178 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748080 380390897 /nfs/dbraw/zinc/39/08/97/380390897.db2.gz VYHZZGIQXNABNF-OLZOCXBDSA-N 1 3 278.827 3.086 20 0 CGADHO CC[N@H+](CCCN)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000414748067 380391303 /nfs/dbraw/zinc/39/13/03/380391303.db2.gz UBOQZHRQJLNRME-MRXNPFEDSA-N 1 3 266.404 3.064 20 0 CGADHO CC[N@@H+](CCCN)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000414748067 380391311 /nfs/dbraw/zinc/39/13/11/380391311.db2.gz UBOQZHRQJLNRME-MRXNPFEDSA-N 1 3 266.404 3.064 20 0 CGADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643522306 380339178 /nfs/dbraw/zinc/33/91/78/380339178.db2.gz LHIMNKRTXPBNHO-HRCADAONSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643528692 380344515 /nfs/dbraw/zinc/34/45/15/380344515.db2.gz NCBKSPUCRLIJCV-VXGBXAGGSA-N 1 3 252.427 3.185 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)NC[C@H](C)[NH3+] ZINC000643528965 380346629 /nfs/dbraw/zinc/34/66/29/380346629.db2.gz RVDSKPGSPDUABZ-SWLSCSKDSA-N 1 3 268.832 3.234 20 0 CGADHO CC(C)CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536113 380352741 /nfs/dbraw/zinc/35/27/41/380352741.db2.gz RGFTYRHWVRBNIH-CVEARBPZSA-N 1 3 276.424 3.489 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546480 380359348 /nfs/dbraw/zinc/35/93/48/380359348.db2.gz PHLMDFKTQDQCOK-STQMWFEESA-N 1 3 264.438 3.382 20 0 CGADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546614 380361242 /nfs/dbraw/zinc/36/12/42/380361242.db2.gz RTEFRBIVEVKXNJ-GJZGRUSLSA-N 1 3 258.409 3.320 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414822550 380431449 /nfs/dbraw/zinc/43/14/49/380431449.db2.gz AMGZYEIKWITOMS-IPYPFGDCSA-N 1 3 266.454 3.047 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830123 380437410 /nfs/dbraw/zinc/43/74/10/380437410.db2.gz APYOXDFYMMKBGM-NWDGAFQWSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830123 380437417 /nfs/dbraw/zinc/43/74/17/380437417.db2.gz APYOXDFYMMKBGM-NWDGAFQWSA-N 1 3 288.357 3.082 20 0 CGADHO COc1cccc2c1CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000194837143 542277243 /nfs/dbraw/zinc/27/72/43/542277243.db2.gz IDOABMYSVQVQEW-QGZVFWFLSA-N 1 3 288.435 3.148 20 0 CGADHO Cc1cc(F)c(CNCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414831301 380440382 /nfs/dbraw/zinc/44/03/82/380440382.db2.gz CVYGXBWXJISPDC-LBPRGKRZSA-N 1 3 284.806 3.267 20 0 CGADHO C[NH2+]CCCN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414856438 380458356 /nfs/dbraw/zinc/45/83/56/380458356.db2.gz ADGDTUOIMZVMPA-ZFWWWQNUSA-N 1 3 266.816 3.175 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414856438 380458359 /nfs/dbraw/zinc/45/83/59/380458359.db2.gz ADGDTUOIMZVMPA-ZFWWWQNUSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)c1ncc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414782746 380402979 /nfs/dbraw/zinc/40/29/79/380402979.db2.gz OTXGEEJYGYEILN-ZIAGYGMSSA-N 1 3 293.480 3.088 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cnc(-c2ccccc2)s1 ZINC000414789634 380407110 /nfs/dbraw/zinc/40/71/10/380407110.db2.gz FOZLSPPSFRRFDK-ZFWWWQNUSA-N 1 3 287.432 3.027 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414795299 380408439 /nfs/dbraw/zinc/40/84/39/380408439.db2.gz GMOYHBKLXVDJHQ-KMFMINBZSA-N 1 3 278.415 3.254 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(OC2CCCC2)c1 ZINC000414802261 380414787 /nfs/dbraw/zinc/41/47/87/380414787.db2.gz VJVUQPLFNDSSHQ-MAUKXSAKSA-N 1 3 288.435 3.225 20 0 CGADHO COc1cc(C)c(CNCc2ccc([C@H](C)[NH3+])cc2)c(C)n1 ZINC000414803415 380416545 /nfs/dbraw/zinc/41/65/45/380416545.db2.gz CMHHSWOYCCFTQX-ZDUSSCGKSA-N 1 3 299.418 3.017 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414927838 380492184 /nfs/dbraw/zinc/49/21/84/380492184.db2.gz ACQQCNRBWYWRJO-TYNCELHUSA-N 1 3 266.816 3.001 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414927838 380492188 /nfs/dbraw/zinc/49/21/88/380492188.db2.gz ACQQCNRBWYWRJO-TYNCELHUSA-N 1 3 266.816 3.001 20 0 CGADHO CCCCc1oc2ccccc2c1C[NH2+][C@@H](C)CN ZINC000414932948 380496261 /nfs/dbraw/zinc/49/62/61/380496261.db2.gz AGIDUOLHFJZNRR-LBPRGKRZSA-N 1 3 260.381 3.212 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000414945184 380500427 /nfs/dbraw/zinc/50/04/27/380500427.db2.gz RCVLOOXGXWSFJS-OWLYRPNTSA-N 1 3 272.436 3.219 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)CC1CCCCC1 ZINC000414945535 380501615 /nfs/dbraw/zinc/50/16/15/380501615.db2.gz INAOQDBCLWHEBG-SQWLQELKSA-N 1 3 252.446 3.323 20 0 CGADHO c1cncc(C[NH2+]CCCNCc2ccc(C3CC3)cc2)c1 ZINC000414857743 380460203 /nfs/dbraw/zinc/46/02/03/380460203.db2.gz FRGIIMWWNMUVCV-UHFFFAOYSA-N 1 3 295.430 3.229 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414860161 380461899 /nfs/dbraw/zinc/46/18/99/380461899.db2.gz OLGHCKLHKQBTFM-QZTJIDSGSA-N 1 3 290.451 3.309 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414860161 380461903 /nfs/dbraw/zinc/46/19/03/380461903.db2.gz OLGHCKLHKQBTFM-QZTJIDSGSA-N 1 3 290.451 3.309 20 0 CGADHO NC1(C[NH2+]Cc2ccc3ncccc3c2)CCCCCC1 ZINC000414864552 380465311 /nfs/dbraw/zinc/46/53/11/380465311.db2.gz ZMZHBHKXSRPSFM-UHFFFAOYSA-N 1 3 283.419 3.376 20 0 CGADHO Cc1ccc(COc2ccc(CNC[C@@H](C)C[NH3+])cc2)cc1 ZINC000414883466 380474753 /nfs/dbraw/zinc/47/47/53/380474753.db2.gz UYYSXACOQQPABU-INIZCTEOSA-N 1 3 298.430 3.258 20 0 CGADHO Cc1csc([C@@H]2CCCCN2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420315078 380849374 /nfs/dbraw/zinc/84/93/74/380849374.db2.gz KVBSHPZAOQOXJI-GJZGRUSLSA-N 1 3 293.480 3.368 20 0 CGADHO CCc1ccc([C@@H](NC[C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000420369417 380852260 /nfs/dbraw/zinc/85/22/60/380852260.db2.gz IXWPKLWRESFRLY-WBVHZDCISA-N 1 3 260.425 3.145 20 0 CGADHO CC(C)[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000356841630 380896811 /nfs/dbraw/zinc/89/68/11/380896811.db2.gz KFJGTHOFRMDENF-MRXNPFEDSA-N 1 3 293.430 3.239 20 0 CGADHO CC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000356888243 380922761 /nfs/dbraw/zinc/92/27/61/380922761.db2.gz ZFDVNYHUCXYOMG-FGTMMUONSA-N 1 3 284.447 3.287 20 0 CGADHO CC(C)c1ncc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357053528 381013120 /nfs/dbraw/zinc/01/31/20/381013120.db2.gz OZKBALXXVZJRMX-CQSZACIVSA-N 1 3 293.480 3.088 20 0 CGADHO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CCOCC[NH3+] ZINC000357073630 381019463 /nfs/dbraw/zinc/01/94/63/381019463.db2.gz HZKBSXFHTMRVJO-INIZCTEOSA-N 1 3 298.430 3.322 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCNCC2(C)C)cc2cccnc12 ZINC000334844871 207176551 /nfs/dbraw/zinc/17/65/51/207176551.db2.gz VTJNVPAIAMUXQY-MRXNPFEDSA-N 1 3 283.419 3.021 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1ccc2ccccc2n1 ZINC000360700239 381622112 /nfs/dbraw/zinc/62/21/12/381622112.db2.gz BEZSDGVUNYVKKY-VCBZYWHSSA-N 1 3 297.446 3.096 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1ccc2ccccc2n1 ZINC000360700239 381622118 /nfs/dbraw/zinc/62/21/18/381622118.db2.gz BEZSDGVUNYVKKY-VCBZYWHSSA-N 1 3 297.446 3.096 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000362513264 382029427 /nfs/dbraw/zinc/02/94/27/382029427.db2.gz UQTCJWVKZXMBIX-LBPRGKRZSA-N 1 3 289.448 3.431 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000366964248 382327622 /nfs/dbraw/zinc/32/76/22/382327622.db2.gz SPLCCFLUZJYVHD-KZNAEPCWSA-N 1 3 296.499 3.124 20 0 CGADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000366964248 382327626 /nfs/dbraw/zinc/32/76/26/382327626.db2.gz SPLCCFLUZJYVHD-KZNAEPCWSA-N 1 3 296.499 3.124 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000251019140 542345195 /nfs/dbraw/zinc/34/51/95/542345195.db2.gz LCVZCISYBQAVPO-CVEARBPZSA-N 1 3 260.425 3.214 20 0 CGADHO c1c2ccccc2sc1CN[C@@H]1CCC[NH2+]CC1 ZINC000335249476 208025479 /nfs/dbraw/zinc/02/54/79/208025479.db2.gz GGFNRQVXCSDSJJ-CYBMUJFWSA-N 1 3 260.406 3.133 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000353776873 220325208 /nfs/dbraw/zinc/32/52/08/220325208.db2.gz URINYWOXYVEFIL-UHOSZYNNSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000353776873 220325210 /nfs/dbraw/zinc/32/52/10/220325210.db2.gz URINYWOXYVEFIL-UHOSZYNNSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000353776873 220325212 /nfs/dbraw/zinc/32/52/12/220325212.db2.gz URINYWOXYVEFIL-UHOSZYNNSA-N 1 3 284.447 3.208 20 0 CGADHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000414055242 533106936 /nfs/dbraw/zinc/10/69/36/533106936.db2.gz CIQIJXDFPYHXAO-CABCVRRESA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000414055242 533106944 /nfs/dbraw/zinc/10/69/44/533106944.db2.gz CIQIJXDFPYHXAO-CABCVRRESA-N 1 3 288.435 3.139 20 0 CGADHO COCC[C@H]1CCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000337412201 285179594 /nfs/dbraw/zinc/17/95/94/285179594.db2.gz WQZZTYBENDLCML-UKRRQHHQSA-N 1 3 282.472 3.090 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)NCC[C@H](C)[NH3+])cc1 ZINC000423226170 533189490 /nfs/dbraw/zinc/18/94/90/533189490.db2.gz PQKYUWHJZCFACM-KXBFYZLASA-N 1 3 298.430 3.306 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000423404712 533198711 /nfs/dbraw/zinc/19/87/11/533198711.db2.gz XPMWAGUUWNKXHO-ZMSDIMECSA-N 1 3 274.408 3.006 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccncc1Cl ZINC000421845803 533354749 /nfs/dbraw/zinc/35/47/49/533354749.db2.gz XVTGGGKWLVISIE-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO CSCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915773 533580213 /nfs/dbraw/zinc/58/02/13/533580213.db2.gz RKPIMAVXRQFABG-NVXWUHKLSA-N 1 3 292.492 3.334 20 0 CGADHO CSCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915773 533580215 /nfs/dbraw/zinc/58/02/15/533580215.db2.gz RKPIMAVXRQFABG-NVXWUHKLSA-N 1 3 292.492 3.334 20 0 CGADHO COc1cccc(C[C@@H](NC[C@@H](C)C[NH3+])c2ccccc2)c1 ZINC000423296200 533539976 /nfs/dbraw/zinc/53/99/76/533539976.db2.gz GILCUOYTNGWHSE-HNAYVOBHSA-N 1 3 298.430 3.163 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000437056494 533546580 /nfs/dbraw/zinc/54/65/80/533546580.db2.gz KKFWSUULYQMXBD-INMHGKMJSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000019912934 391937239 /nfs/dbraw/zinc/93/72/39/391937239.db2.gz RTKDQNTZIOBRIS-OWCLPIDISA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](CN[C@H](c1ccccc1)C1CC1)C[NH+]1CCCC1 ZINC000062079188 392131617 /nfs/dbraw/zinc/13/16/17/392131617.db2.gz VBAVBSWISXKQNI-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)CN1CCCC1 ZINC000062079188 392131619 /nfs/dbraw/zinc/13/16/19/392131619.db2.gz VBAVBSWISXKQNI-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)CN1CCCC1 ZINC000069374106 392172570 /nfs/dbraw/zinc/17/25/70/392172570.db2.gz KHGBNHWGJAQDNH-IYXRBSQSSA-N 1 3 292.389 3.429 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000434776426 542656786 /nfs/dbraw/zinc/65/67/86/542656786.db2.gz MRMZGOAXDJLDQR-OAHLLOKOSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150754958 392482323 /nfs/dbraw/zinc/48/23/23/392482323.db2.gz TWYVEEJXPSWMMB-HZPDHXFCSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150754958 392482324 /nfs/dbraw/zinc/48/23/24/392482324.db2.gz TWYVEEJXPSWMMB-HZPDHXFCSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000153445434 392516822 /nfs/dbraw/zinc/51/68/22/392516822.db2.gz HPJGYNZZYWVEIH-BEFAXECRSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000153445434 392516829 /nfs/dbraw/zinc/51/68/29/392516829.db2.gz HPJGYNZZYWVEIH-BEFAXECRSA-N 1 3 295.430 3.178 20 0 CGADHO Cc1cc(C)cc(C[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647482937 392737729 /nfs/dbraw/zinc/73/77/29/392737729.db2.gz LCTYQZAITXJWQS-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1cc(C)cc(C[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647482937 392737738 /nfs/dbraw/zinc/73/77/38/392737738.db2.gz LCTYQZAITXJWQS-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO CC[C@@H]1C[N@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1N ZINC000647497451 392740633 /nfs/dbraw/zinc/74/06/33/392740633.db2.gz IJJGAFMXNBPBAR-AEFFLSMTSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1N ZINC000647497451 392740637 /nfs/dbraw/zinc/74/06/37/392740637.db2.gz IJJGAFMXNBPBAR-AEFFLSMTSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@@H]1CN(Cc2cc(C)c3ncccc3c2)CC[C@H]1[NH3+] ZINC000647497308 392740968 /nfs/dbraw/zinc/74/09/68/392740968.db2.gz CKKFORRXLYIRHP-NVXWUHKLSA-N 1 3 283.419 3.102 20 0 CGADHO CN(C)[C@@H](CNc1[nH+]ccc2[nH]ccc21)c1cccs1 ZINC000647846365 392812119 /nfs/dbraw/zinc/81/21/19/392812119.db2.gz AXJOEORPSINKLX-ZDUSSCGKSA-N 1 3 286.404 3.339 20 0 CGADHO C[C@@H](c1ccccc1)N(CC1CCC1)C[C@@H]1CC[NH2+]C1 ZINC000647888055 392827388 /nfs/dbraw/zinc/82/73/88/392827388.db2.gz GIDSPSCKCYZFEI-DOTOQJQBSA-N 1 3 272.436 3.459 20 0 CGADHO CCC(C)(C)CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903276 392829024 /nfs/dbraw/zinc/82/90/24/392829024.db2.gz INKLOJXAHXCMFW-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215312 392864301 /nfs/dbraw/zinc/86/43/01/392864301.db2.gz PBXGIADDNVUNSB-PBWTXFEYSA-N 1 3 286.463 3.499 20 0 CGADHO CC(C)C[C@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184855 392929950 /nfs/dbraw/zinc/92/99/50/392929950.db2.gz CMQCNCLTRRAUJR-SJORKVTESA-N 1 3 264.457 3.443 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@H+](C)[C@@H]2CCCNCC2)C1 ZINC000394551602 392938327 /nfs/dbraw/zinc/93/83/27/392938327.db2.gz ZKFZSTOYEVKDDF-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CCCNCC2)C1 ZINC000394551602 392938330 /nfs/dbraw/zinc/93/83/30/392938330.db2.gz ZKFZSTOYEVKDDF-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]([NH3+])CNC(Cc1ccccc1)Cc1ccccc1 ZINC000414990902 393082402 /nfs/dbraw/zinc/08/24/02/393082402.db2.gz PNDYZUHCCKETEH-GOSISDBHSA-N 1 3 282.431 3.167 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000415006606 393089830 /nfs/dbraw/zinc/08/98/30/393089830.db2.gz KQWUGNKCOONQSD-KGLIPLIRSA-N 1 3 254.377 3.179 20 0 CGADHO Cc1ccc(CN[C@@H](C)CCCC[NH3+])c(Br)c1 ZINC000415011338 393093202 /nfs/dbraw/zinc/09/32/02/393093202.db2.gz HNFYDFKGJJDWNR-LBPRGKRZSA-N 1 3 299.256 3.365 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000415016163 393098702 /nfs/dbraw/zinc/09/87/02/393098702.db2.gz ZXLXQIUOHZEEQM-QWRGUYRKSA-N 1 3 278.396 3.380 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344295321 393041287 /nfs/dbraw/zinc/04/12/87/393041287.db2.gz JVKVPCLYNOSAJA-FVQBIDKESA-N 1 3 250.430 3.053 20 0 CGADHO Cc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415038227 393106064 /nfs/dbraw/zinc/10/60/64/393106064.db2.gz HUESOZKICWXJNL-MSOLQXFVSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700849 393052304 /nfs/dbraw/zinc/05/23/04/393052304.db2.gz GQGVGXUXJQOMHY-CHWSQXEVSA-N 1 3 278.827 3.086 20 0 CGADHO CCC1(C)CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000414908080 393057674 /nfs/dbraw/zinc/05/76/74/393057674.db2.gz NVKYLIVXJIZLAW-UYSNPLJNSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)(C)c1cnc(CNCCC[C@H]2CCC[NH2+]2)s1 ZINC000414970548 393073645 /nfs/dbraw/zinc/07/36/45/393073645.db2.gz VANUDFXMKVXERB-LBPRGKRZSA-N 1 3 281.469 3.062 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414973244 393075110 /nfs/dbraw/zinc/07/51/10/393075110.db2.gz CALXDBJLDWBQKD-LLVKDONJSA-N 1 3 278.396 3.381 20 0 CGADHO c1cc2c(cc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CCCN2 ZINC000414982839 393078770 /nfs/dbraw/zinc/07/87/70/393078770.db2.gz STFYZYSNJSWKFY-BHIYHBOVSA-N 1 3 299.462 3.055 20 0 CGADHO [NH3+]CCC[C@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000415057698 393119771 /nfs/dbraw/zinc/11/97/71/393119771.db2.gz SFHFLMFVLJDSSQ-KRWDZBQOSA-N 1 3 272.367 3.396 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000415080724 393134449 /nfs/dbraw/zinc/13/44/49/393134449.db2.gz JXMIGYFBMFOUTO-PQEBFOHHSA-N 1 3 292.492 3.437 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000415082082 393136977 /nfs/dbraw/zinc/13/69/77/393136977.db2.gz LGEVOMQBDCAHJI-IAQYHMDHSA-N 1 3 266.816 3.290 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](N)CC(C)C ZINC000415088804 393141341 /nfs/dbraw/zinc/14/13/41/393141341.db2.gz MLWOPZVSDFETOJ-RCBQFDQVSA-N 1 3 298.858 3.379 20 0 CGADHO Fc1cccc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415094095 393142758 /nfs/dbraw/zinc/14/27/58/393142758.db2.gz WOVJFXWDKGIPGV-KSZLIROESA-N 1 3 290.426 3.269 20 0 CGADHO Cc1ccc([C@@H]2C[C@H](C)N(C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137845 393145368 /nfs/dbraw/zinc/14/53/68/393145368.db2.gz YVRSZWJOVXFUAM-JQHSSLGASA-N 1 3 272.436 3.172 20 0 CGADHO FC(F)(F)c1ccc(C2(C[NH2+]C3CCNCC3)CC2)cc1 ZINC000415111300 393147340 /nfs/dbraw/zinc/14/73/40/393147340.db2.gz UHZUSOALNOFSHG-UHFFFAOYSA-N 1 3 298.352 3.079 20 0 CGADHO FC(F)(F)c1ccc(C2(CNC3CC[NH2+]CC3)CC2)cc1 ZINC000415111300 393147344 /nfs/dbraw/zinc/14/73/44/393147344.db2.gz UHZUSOALNOFSHG-UHFFFAOYSA-N 1 3 298.352 3.079 20 0 CGADHO C[C@@H]1C[C@H](CNCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000415110758 393147654 /nfs/dbraw/zinc/14/76/54/393147654.db2.gz QOFCTLHELHCXPC-GHMZBOCLSA-N 1 3 287.234 3.471 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000353253151 393217949 /nfs/dbraw/zinc/21/79/49/393217949.db2.gz VHNJTLVYUXQPPE-MRXNPFEDSA-N 1 3 264.457 3.421 20 0 CGADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000354205102 393240599 /nfs/dbraw/zinc/24/05/99/393240599.db2.gz GAOKEMQNSPZAIE-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1=CCN(C)CC1)CCC2 ZINC000271862118 393255386 /nfs/dbraw/zinc/25/53/86/393255386.db2.gz KOKMXHDYZNAYJP-GOSISDBHSA-N 1 3 270.420 3.224 20 0 CGADHO CC(C)c1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271831018 393256165 /nfs/dbraw/zinc/25/61/65/393256165.db2.gz OSKXFQTUNKZZLD-UHFFFAOYSA-N 1 3 258.409 3.162 20 0 CGADHO c1cncc([C@@H]([NH2+]C2CCN(CC3CC3)CC2)C2CCC2)c1 ZINC000281019101 393348018 /nfs/dbraw/zinc/34/80/18/393348018.db2.gz ZFTPVDQVOGBMPL-IBGZPJMESA-N 1 3 299.462 3.387 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@H](C)C[C@H]3C[NH3+])c2c1 ZINC000420261741 393445026 /nfs/dbraw/zinc/44/50/26/393445026.db2.gz QOVOTOXLKNTYHK-KGLIPLIRSA-N 1 3 269.392 3.107 20 0 CGADHO Cc1nc(C)c([C@@H](C)N(C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420311430 393459092 /nfs/dbraw/zinc/45/90/92/393459092.db2.gz HBVLPPMTQVBABH-TZMCWYRMSA-N 1 3 281.469 3.142 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346701 393472359 /nfs/dbraw/zinc/47/23/59/393472359.db2.gz XFROIECMWBWMCR-AHIWAGSCSA-N 1 3 294.389 3.347 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CCC1 ZINC000429514831 393472390 /nfs/dbraw/zinc/47/23/90/393472390.db2.gz MOJUHFPKBILPSP-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](NCCC1CC[NH2+]CC1)c1ccccc1Cl ZINC000420370594 393476501 /nfs/dbraw/zinc/47/65/01/393476501.db2.gz JQZYONXZJHIYSR-LBPRGKRZSA-N 1 3 266.816 3.380 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000420378474 393478442 /nfs/dbraw/zinc/47/84/42/393478442.db2.gz ULTGIFKWBBVPDN-OLZOCXBDSA-N 1 3 266.816 3.380 20 0 CGADHO CC[NH+](CC)CCCN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488450519 393519718 /nfs/dbraw/zinc/51/97/18/393519718.db2.gz SHLPBFHIIOJKKD-ZIAGYGMSSA-N 1 3 272.502 3.228 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488450519 393519722 /nfs/dbraw/zinc/51/97/22/393519722.db2.gz SHLPBFHIIOJKKD-ZIAGYGMSSA-N 1 3 272.502 3.228 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000666652179 542806087 /nfs/dbraw/zinc/80/60/87/542806087.db2.gz GOQAMWWFHXWFDF-OAHLLOKOSA-N 1 3 264.388 3.168 20 0 CGADHO NC1(C[NH2+]Cc2ccc3cnccc3c2)CCCCCC1 ZINC000666808181 542817009 /nfs/dbraw/zinc/81/70/09/542817009.db2.gz UVGVTHUJHSHRSU-UHFFFAOYSA-N 1 3 283.419 3.376 20 0 CGADHO CCc1cnccc1[C@@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000361133066 393679900 /nfs/dbraw/zinc/67/99/00/393679900.db2.gz UQUDBMYNMYKODX-GDBMZVCRSA-N 1 3 275.440 3.169 20 0 CGADHO C[C@@H](CCc1ccccc1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490040635 393627619 /nfs/dbraw/zinc/62/76/19/393627619.db2.gz QOJDMYPCQTURCF-HKUYNNGSSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422799406 393642523 /nfs/dbraw/zinc/64/25/23/393642523.db2.gz WPGQOHSOLXXULD-GVRJEKJASA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCCN1 ZINC000422799406 393642528 /nfs/dbraw/zinc/64/25/28/393642528.db2.gz WPGQOHSOLXXULD-GVRJEKJASA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCCCC1(F)F ZINC000423145938 393651422 /nfs/dbraw/zinc/65/14/22/393651422.db2.gz NEEAHVJEAYCITE-BPUTZDHNSA-N 1 3 296.405 3.360 20 0 CGADHO CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)NCC[NH3+] ZINC000423182435 393653731 /nfs/dbraw/zinc/65/37/31/393653731.db2.gz KIOJIGKSUSJZHV-CYBMUJFWSA-N 1 3 289.250 3.499 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423282826 393659295 /nfs/dbraw/zinc/65/92/95/393659295.db2.gz WLINGDUVPAGBJG-AVGNSLFASA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423282826 393659298 /nfs/dbraw/zinc/65/92/98/393659298.db2.gz WLINGDUVPAGBJG-AVGNSLFASA-N 1 3 252.427 3.225 20 0 CGADHO CCCC[C@@H](CN)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423297169 393659881 /nfs/dbraw/zinc/65/98/81/393659881.db2.gz JASDXEAQBIGILX-FZMZJTMJSA-N 1 3 282.428 3.470 20 0 CGADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423333583 393662546 /nfs/dbraw/zinc/66/25/46/393662546.db2.gz HUUSBSOSDQWBQO-KDOFPFPSSA-N 1 3 272.436 3.387 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(OC)cc1 ZINC000423361732 393663882 /nfs/dbraw/zinc/66/38/82/393663882.db2.gz AOYFEBCNZPNFHZ-XYPHTWIQSA-N 1 3 276.424 3.124 20 0 CGADHO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357139 393664041 /nfs/dbraw/zinc/66/40/41/393664041.db2.gz HUYCBRORYJDNNY-MJVIPROJSA-N 1 3 286.341 3.354 20 0 CGADHO CSCC1CCC(NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423404259 393665114 /nfs/dbraw/zinc/66/51/14/393665114.db2.gz ZPJBJLJRACXMGI-NRXISQOPSA-N 1 3 284.513 3.276 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000423396783 393665321 /nfs/dbraw/zinc/66/53/21/393665321.db2.gz SOCRVFJVLUPGRZ-WCFLWFBJSA-N 1 3 282.428 3.468 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)[C@H](C)N)CCS2 ZINC000423442912 393667684 /nfs/dbraw/zinc/66/76/84/393667684.db2.gz KHACRVGBSANTRB-SGMGOOAPSA-N 1 3 264.438 3.166 20 0 CGADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1Cl ZINC000423496740 393671736 /nfs/dbraw/zinc/67/17/36/393671736.db2.gz XLMGHMTZTOVBTP-NHCYSSNCSA-N 1 3 270.779 3.257 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(F)cc1 ZINC000666993726 542832915 /nfs/dbraw/zinc/83/29/15/542832915.db2.gz GLTFFHZJRJHOSR-CZUORRHYSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1 ZINC000666993726 542832918 /nfs/dbraw/zinc/83/29/18/542832918.db2.gz GLTFFHZJRJHOSR-CZUORRHYSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@@H]1C ZINC000666995467 542834011 /nfs/dbraw/zinc/83/40/11/542834011.db2.gz OOEAGLRETGYLPI-TUVASFSCSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666996996 542834048 /nfs/dbraw/zinc/83/40/48/542834048.db2.gz QRILTBDHPGOLFD-DOTOQJQBSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@@H](C)C1 ZINC000666995549 542834192 /nfs/dbraw/zinc/83/41/92/542834192.db2.gz QYKUECOQJCDVDJ-LJISPDSOSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1noc(C)c1C[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000667005605 542835831 /nfs/dbraw/zinc/83/58/31/542835831.db2.gz POMORYBIIFBOEM-XEZPLFJOSA-N 1 3 293.455 3.123 20 0 CGADHO CC1=C[C@H](C)C[C@@H](CN2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000668785433 543061384 /nfs/dbraw/zinc/06/13/84/543061384.db2.gz QCSLFQGFCNYTFE-CGTJXYLNSA-N 1 3 294.483 3.021 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000671744497 543184292 /nfs/dbraw/zinc/18/42/92/543184292.db2.gz CVMGAJYEJVGBHM-DLBZAZTESA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000671753810 543186685 /nfs/dbraw/zinc/18/66/85/543186685.db2.gz UKDRBNMENOZUEU-IXDOHACOSA-N 1 3 266.473 3.379 20 0 CGADHO CCC1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCC1 ZINC000673929867 543259097 /nfs/dbraw/zinc/25/90/97/543259097.db2.gz ORINETLAVATCSY-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917713 397609793 /nfs/dbraw/zinc/60/97/93/397609793.db2.gz TYQQYKCGJCYVPT-MSOLQXFVSA-N 1 3 272.436 3.267 20 0 CGADHO CC(C)C[C@H](C)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000302441640 397676434 /nfs/dbraw/zinc/67/64/34/397676434.db2.gz WLGBJGTVHLHRLU-ARFHVFGLSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](C[NH2+]CC1=CCN(C)CC1)C1CCCCC1 ZINC000392267795 397692949 /nfs/dbraw/zinc/69/29/49/397692949.db2.gz IVKMPFMDUNSXNH-AWEZNQCLSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000552046098 289154518 /nfs/dbraw/zinc/15/45/18/289154518.db2.gz YDIRAPTVEUPOAU-IAGOWNOFSA-N 1 3 264.457 3.418 20 0 CGADHO CCC[N@H+](Cc1cccc2c1CCC2)C1CCNCC1 ZINC000650702762 397897540 /nfs/dbraw/zinc/89/75/40/397897540.db2.gz SUGOMFKMDNJFON-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CCC[N@@H+](Cc1cccc2c1CCC2)C1CCNCC1 ZINC000650702762 397897542 /nfs/dbraw/zinc/89/75/42/397897542.db2.gz SUGOMFKMDNJFON-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CCCN(Cc1cccc2c1CCC2)C1CC[NH2+]CC1 ZINC000650702762 397897543 /nfs/dbraw/zinc/89/75/43/397897543.db2.gz SUGOMFKMDNJFON-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO COCC[NH2+]C1CCN(C[C@@H](C)CC2CCCCC2)CC1 ZINC000650704674 397898070 /nfs/dbraw/zinc/89/80/70/397898070.db2.gz QRWQOLCUXYKWIZ-INIZCTEOSA-N 1 3 296.499 3.293 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(F)c(Cl)c1 ZINC000650719552 397901952 /nfs/dbraw/zinc/90/19/52/397901952.db2.gz USGBFQBVAIBEEH-UHFFFAOYSA-N 1 3 292.785 3.488 20 0 CGADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccc(F)cc1Cl ZINC000650744314 397905533 /nfs/dbraw/zinc/90/55/33/397905533.db2.gz KXEPTODPIJGKIC-SNVBAGLBSA-N 1 3 270.779 3.259 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccc(OC)cc21 ZINC000650758500 397910295 /nfs/dbraw/zinc/91/02/95/397910295.db2.gz QUTYCNSSZFQDFC-LJQANCHMSA-N 1 3 296.414 3.192 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677237930 543440714 /nfs/dbraw/zinc/44/07/14/543440714.db2.gz RBZLKMOKODUTNZ-MSOLQXFVSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677237930 543440715 /nfs/dbraw/zinc/44/07/15/543440715.db2.gz RBZLKMOKODUTNZ-MSOLQXFVSA-N 1 3 286.463 3.489 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC000678225575 543495702 /nfs/dbraw/zinc/49/57/02/543495702.db2.gz LGMQVDLENBXSPU-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000678225575 543495705 /nfs/dbraw/zinc/49/57/05/543495705.db2.gz LGMQVDLENBXSPU-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000678598003 543540829 /nfs/dbraw/zinc/54/08/29/543540829.db2.gz OJSAETNDKOAZBT-IAQYHMDHSA-N 1 3 294.826 3.093 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678926387 543572624 /nfs/dbraw/zinc/57/26/24/543572624.db2.gz AZJLNGULCMCOLX-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678926387 543572626 /nfs/dbraw/zinc/57/26/26/543572626.db2.gz AZJLNGULCMCOLX-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423178942 286354888 /nfs/dbraw/zinc/35/48/88/286354888.db2.gz LJYWFKUTLSSMTM-CYBMUJFWSA-N 1 3 262.397 3.007 20 0 CGADHO CSc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000251745983 286729239 /nfs/dbraw/zinc/72/92/39/286729239.db2.gz QAMYKWKGCKVLSY-WHOFXGATSA-N 1 3 264.438 3.187 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000449438197 287013899 /nfs/dbraw/zinc/01/38/99/287013899.db2.gz BNPXGKITCCZSGD-CPUCHLNUSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000353279217 287020046 /nfs/dbraw/zinc/02/00/46/287020046.db2.gz QXPLVLJQHGDFQX-GFCCVEGCSA-N 1 3 272.383 3.052 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000076000840 287030674 /nfs/dbraw/zinc/03/06/74/287030674.db2.gz LPNZPVWBGAKGPZ-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000076000840 287030676 /nfs/dbraw/zinc/03/06/76/287030676.db2.gz LPNZPVWBGAKGPZ-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000076000840 287030677 /nfs/dbraw/zinc/03/06/77/287030677.db2.gz LPNZPVWBGAKGPZ-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO C[C@@]1(CN2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC000062912474 165030123 /nfs/dbraw/zinc/03/01/23/165030123.db2.gz ZJYBBQJESFHEOP-OAHLLOKOSA-N 1 3 250.430 3.032 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cc2ccccc2o1 ZINC000089149068 165198115 /nfs/dbraw/zinc/19/81/15/165198115.db2.gz HPMGKAXHIHRBCI-YUTCNCBUSA-N 1 3 258.365 3.211 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089140563 165199717 /nfs/dbraw/zinc/19/97/17/165199717.db2.gz JNGYUXWXBRCSPX-IRXDYDNUSA-N 1 3 285.435 3.139 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1Cl ZINC000090468972 165235997 /nfs/dbraw/zinc/23/59/97/165235997.db2.gz XEGXUMWIIHOYCX-TYNCELHUSA-N 1 3 296.842 3.167 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccncc1 ZINC000092856879 165317463 /nfs/dbraw/zinc/31/74/63/165317463.db2.gz DVLUBZDSVGWEDI-OAHLLOKOSA-N 1 3 296.418 3.044 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093213602 165325275 /nfs/dbraw/zinc/32/52/75/165325275.db2.gz JPPSLBGVBZUDOZ-AEGPPILISA-N 1 3 262.397 3.006 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cccc3ccccc32)C1 ZINC000093215827 165326263 /nfs/dbraw/zinc/32/62/63/165326263.db2.gz CYYIOXNDSSDPKH-HOTGVXAUSA-N 1 3 254.377 3.199 20 0 CGADHO CN(Cc1ccc2ccccc2c1)CC(C)(C)C[NH3+] ZINC000093861202 165341055 /nfs/dbraw/zinc/34/10/55/165341055.db2.gz ZPJRBRBCJUTNDM-UHFFFAOYSA-N 1 3 256.393 3.257 20 0 CGADHO C[N@H+](Cc1ccc2ccccc2c1)CC(C)(C)CN ZINC000093861202 165341058 /nfs/dbraw/zinc/34/10/58/165341058.db2.gz ZPJRBRBCJUTNDM-UHFFFAOYSA-N 1 3 256.393 3.257 20 0 CGADHO C[N@@H+](Cc1ccc2ccccc2c1)CC(C)(C)CN ZINC000093861202 165341059 /nfs/dbraw/zinc/34/10/59/165341059.db2.gz ZPJRBRBCJUTNDM-UHFFFAOYSA-N 1 3 256.393 3.257 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)CN1CCCC1 ZINC000094279473 287122163 /nfs/dbraw/zinc/12/21/63/287122163.db2.gz KEGHDTCTUQLKCF-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCCC1(C)C)CN1CCCC1 ZINC000094279475 287122170 /nfs/dbraw/zinc/12/21/70/287122170.db2.gz KEGHDTCTUQLKCF-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCC(CC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000124781644 287237246 /nfs/dbraw/zinc/23/72/46/287237246.db2.gz FQAHKZDTTHKEAD-HRCADAONSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(F)cc1 ZINC000020129049 171015933 /nfs/dbraw/zinc/01/59/33/171015933.db2.gz ZGEHKUGDJLGGPM-MRXNPFEDSA-N 1 3 264.388 3.352 20 0 CGADHO CCC(C)(C)C1CCC(N2CCC([NH3+])CC2)CC1 ZINC000020521646 171235194 /nfs/dbraw/zinc/23/51/94/171235194.db2.gz NJZWNQNDOAQFCP-UHFFFAOYSA-N 1 3 252.446 3.405 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cccc(OC)c2)CC1 ZINC000037149928 172986115 /nfs/dbraw/zinc/98/61/15/172986115.db2.gz WMXQZHBJACREBR-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO Cc1ccnc(C(C)[NH2+]CCCn2cnc3ccccc32)c1 ZINC000285749021 196387014 /nfs/dbraw/zinc/38/70/14/196387014.db2.gz RMZBHFHMDZPOJF-HNNXBMFYSA-N 1 3 294.402 3.481 20 0 CGADHO CN(C)CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030721 174022636 /nfs/dbraw/zinc/02/26/36/174022636.db2.gz OMCUBLNMBOLATP-UHFFFAOYSA-N 1 3 274.433 3.456 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCCNCC1 ZINC000038086962 174098919 /nfs/dbraw/zinc/09/89/19/174098919.db2.gz SSPFFRGLLGNUGL-CQSZACIVSA-N 1 3 254.377 3.196 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CCCNCC1 ZINC000038086962 174098921 /nfs/dbraw/zinc/09/89/21/174098921.db2.gz SSPFFRGLLGNUGL-CQSZACIVSA-N 1 3 254.377 3.196 20 0 CGADHO C[C@H](c1cccc(Br)c1)N1CCC(C[NH3+])CC1 ZINC000044511698 175187901 /nfs/dbraw/zinc/18/79/01/175187901.db2.gz UTLUCYHEUOKVAS-LLVKDONJSA-N 1 3 297.240 3.181 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000128019175 287301581 /nfs/dbraw/zinc/30/15/81/287301581.db2.gz GUXVUSOVKPGJRZ-COXVUDFISA-N 1 3 278.415 3.392 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)[C@H]1CCN ZINC000404360258 416552747 /nfs/dbraw/zinc/55/27/47/416552747.db2.gz DWTVWXCJMWCRKX-PBHICJAKSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@H]1CCN ZINC000404360258 416552750 /nfs/dbraw/zinc/55/27/50/416552750.db2.gz DWTVWXCJMWCRKX-PBHICJAKSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCCN(Cc2cccc3cccnc32)[C@H]1CC[NH3+] ZINC000404360258 416552752 /nfs/dbraw/zinc/55/27/52/416552752.db2.gz DWTVWXCJMWCRKX-PBHICJAKSA-N 1 3 283.419 3.184 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000681366339 543784209 /nfs/dbraw/zinc/78/42/09/543784209.db2.gz PAUSNUIPRHKEQF-GVDBMIGSSA-N 1 3 264.457 3.299 20 0 CGADHO CC(C)(CNCc1cccc2cnccc21)C[NH+]1CCCC1 ZINC000682953642 543882035 /nfs/dbraw/zinc/88/20/35/543882035.db2.gz PQMIWLRKEULEHR-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO CC(C)(C[NH2+]Cc1cccc2cnccc21)CN1CCCC1 ZINC000682953642 543882037 /nfs/dbraw/zinc/88/20/37/543882037.db2.gz PQMIWLRKEULEHR-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO C[NH+](C)CCC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684020884 543960702 /nfs/dbraw/zinc/96/07/02/543960702.db2.gz MILVJFOVECEBKB-UHFFFAOYSA-N 1 3 285.435 3.332 20 0 CGADHO CO[C@@H]1CCC[C@@H](NCCC[NH+](C(C)C)C(C)C)C1 ZINC000684385074 543990878 /nfs/dbraw/zinc/99/08/78/543990878.db2.gz UYUCWORWODSZRM-HZPDHXFCSA-N 1 3 270.461 3.043 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN(C(C)C)C(C)C)C1 ZINC000684385074 543990880 /nfs/dbraw/zinc/99/08/80/543990880.db2.gz UYUCWORWODSZRM-HZPDHXFCSA-N 1 3 270.461 3.043 20 0 CGADHO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684932527 544041621 /nfs/dbraw/zinc/04/16/21/544041621.db2.gz ZSIFESWLVRPNCR-NVXWUHKLSA-N 1 3 290.451 3.153 20 0 CGADHO Cc1ncc([C@@H](C)NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000658354329 418949167 /nfs/dbraw/zinc/94/91/67/418949167.db2.gz CGJRPJCQUVFFBS-GFCCVEGCSA-N 1 3 293.480 3.224 20 0 CGADHO c1c2c(oc1-c1ccccc1)CCN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000652353164 418955753 /nfs/dbraw/zinc/95/57/53/418955753.db2.gz KQBBEFSIQQXWPC-HNNXBMFYSA-N 1 3 296.414 3.304 20 0 CGADHO C[C@H]1CCCN(CCCCC(F)(F)F)[C@H]1CC[NH3+] ZINC000652356272 418956025 /nfs/dbraw/zinc/95/60/25/418956025.db2.gz ZEJZSPJGCYLMGG-RYUDHWBXSA-N 1 3 266.351 3.168 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000659928741 419035806 /nfs/dbraw/zinc/03/58/06/419035806.db2.gz MUROYHULGOWWJD-XWTMOSNGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000659928741 419035807 /nfs/dbraw/zinc/03/58/07/419035807.db2.gz MUROYHULGOWWJD-XWTMOSNGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CN3CCCC[C@@H]3C)C2)CCO1 ZINC000659928741 419035808 /nfs/dbraw/zinc/03/58/08/419035808.db2.gz MUROYHULGOWWJD-XWTMOSNGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CN3CCCC[C@@H]3C)C2)CCO1 ZINC000659928741 419035810 /nfs/dbraw/zinc/03/58/10/419035810.db2.gz MUROYHULGOWWJD-XWTMOSNGSA-N 1 3 294.483 3.140 20 0 CGADHO C[NH+](C)CC1CCN(CCCc2c(F)cccc2F)CC1 ZINC000653497521 419038071 /nfs/dbraw/zinc/03/80/71/419038071.db2.gz IWADZECCQLMNIQ-UHFFFAOYSA-N 1 3 296.405 3.171 20 0 CGADHO C[C@@H](N[C@@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]1 ZINC000665234168 419087365 /nfs/dbraw/zinc/08/73/65/419087365.db2.gz ZDSDXPSUBWOMBA-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CCCN1 ZINC000665234168 419087370 /nfs/dbraw/zinc/08/73/70/419087370.db2.gz ZDSDXPSUBWOMBA-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H](C)SC1)N1CCCCC1 ZINC000655754688 419088424 /nfs/dbraw/zinc/08/84/24/419088424.db2.gz VCZXZTHPKAFSOI-RBSFLKMASA-N 1 3 270.486 3.125 20 0 CGADHO C[C@H](CCN[C@@H]1CC[C@@H](C)SC1)[NH+]1CCCCC1 ZINC000655754688 419088426 /nfs/dbraw/zinc/08/84/26/419088426.db2.gz VCZXZTHPKAFSOI-RBSFLKMASA-N 1 3 270.486 3.125 20 0 CGADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000665238180 419089047 /nfs/dbraw/zinc/08/90/47/419089047.db2.gz SKPIDJBPOUASCI-XUWVNRHRSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665258741 419095701 /nfs/dbraw/zinc/09/57/01/419095701.db2.gz KISNUFLBMYXFPP-XNRPHZJLSA-N 1 3 294.414 3.058 20 0 CGADHO C[C@]1(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665266528 419096437 /nfs/dbraw/zinc/09/64/37/419096437.db2.gz DMJTXTVBDVAMMA-RDBSUJKOSA-N 1 3 266.335 3.156 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000655805612 419101083 /nfs/dbraw/zinc/10/10/83/419101083.db2.gz PXJUKJZOSSWKAK-WDYCEAGBSA-N 1 3 295.430 3.101 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282354 419102625 /nfs/dbraw/zinc/10/26/25/419102625.db2.gz WFEUEPMTPAEOGQ-YESZJQIVSA-N 1 3 289.467 3.379 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H](NCC[C@@H]([NH3+])C(C)C)C1 ZINC000665282354 419102627 /nfs/dbraw/zinc/10/26/27/419102627.db2.gz WFEUEPMTPAEOGQ-YESZJQIVSA-N 1 3 289.467 3.379 20 0 CGADHO C[NH2+]C[C@@H](C)N[C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297637 419110509 /nfs/dbraw/zinc/11/05/09/419110509.db2.gz JBTZWIQHZDSGAF-ZIAGYGMSSA-N 1 3 298.858 3.393 20 0 CGADHO C[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660255413 419114051 /nfs/dbraw/zinc/11/40/51/419114051.db2.gz BUBLOYUXUYLGGN-GDBMZVCRSA-N 1 3 262.441 3.195 20 0 CGADHO COc1cc([C@H](C)NCc2cccc(C[NH+](C)C)c2)ccn1 ZINC000655685692 419065380 /nfs/dbraw/zinc/06/53/80/419065380.db2.gz LEZSJYVIPANPJZ-AWEZNQCLSA-N 1 3 299.418 3.003 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195703 419149185 /nfs/dbraw/zinc/14/91/85/419149185.db2.gz CWGDMPKZQREROS-LSDHHAIUSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195703 419149187 /nfs/dbraw/zinc/14/91/87/419149187.db2.gz CWGDMPKZQREROS-LSDHHAIUSA-N 1 3 278.827 3.231 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000656200856 419150099 /nfs/dbraw/zinc/15/00/99/419150099.db2.gz VKPOVMOALWJHMD-HUUCEWRRSA-N 1 3 262.372 3.064 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc3ccsc32)C1 ZINC000656200043 419150119 /nfs/dbraw/zinc/15/01/19/419150119.db2.gz FFARBIHJGPVBBD-ZIAGYGMSSA-N 1 3 260.406 3.261 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN([C@H]1CCc3ccccc31)C2 ZINC000660660661 419176070 /nfs/dbraw/zinc/17/60/70/419176070.db2.gz AJANNTWEIUNSLU-ROUUACIJSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN([C@H]1CCc3ccccc31)C2 ZINC000660660661 419176073 /nfs/dbraw/zinc/17/60/73/419176073.db2.gz AJANNTWEIUNSLU-ROUUACIJSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN([C@H]1CCc3ccccc31)C2 ZINC000660660666 419176086 /nfs/dbraw/zinc/17/60/86/419176086.db2.gz AJANNTWEIUNSLU-ZWKOTPCHSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN([C@H]1CCc3ccccc31)C2 ZINC000660660666 419176088 /nfs/dbraw/zinc/17/60/88/419176088.db2.gz AJANNTWEIUNSLU-ZWKOTPCHSA-N 1 3 270.420 3.092 20 0 CGADHO CCc1ccccc1CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661786 419180011 /nfs/dbraw/zinc/18/00/11/419180011.db2.gz GQLAKYSNZMQBBJ-LJQANCHMSA-N 1 3 286.463 3.209 20 0 CGADHO CCc1ccccc1CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661786 419180012 /nfs/dbraw/zinc/18/00/12/419180012.db2.gz GQLAKYSNZMQBBJ-LJQANCHMSA-N 1 3 286.463 3.209 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CNCc2cc3ccncc3s2)C1 ZINC000657337045 419253993 /nfs/dbraw/zinc/25/39/93/419253993.db2.gz GJKUTDJGZWFAAU-ZDUSSCGKSA-N 1 3 289.448 3.118 20 0 CGADHO CC[N@H+]1CCC[C@@H](CNCc2cc3ccncc3s2)C1 ZINC000657337045 419253995 /nfs/dbraw/zinc/25/39/95/419253995.db2.gz GJKUTDJGZWFAAU-ZDUSSCGKSA-N 1 3 289.448 3.118 20 0 CGADHO CCc1cccc2cc(CNCC3CC[NH+](C)CC3)oc21 ZINC000657350064 419256757 /nfs/dbraw/zinc/25/67/57/419256757.db2.gz ZHVJYLPFCRAMOQ-UHFFFAOYSA-N 1 3 286.419 3.427 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657873566 419398490 /nfs/dbraw/zinc/39/84/90/419398490.db2.gz YARYLRJKPWKMPS-CYBMUJFWSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(CCSc2cccc(Cl)c2)C1 ZINC000662266776 419377507 /nfs/dbraw/zinc/37/75/07/419377507.db2.gz OXDVKAHEEIJZJF-NWDGAFQWSA-N 1 3 284.856 3.101 20 0 CGADHO CC(C)c1cccc(C[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000662275473 419382592 /nfs/dbraw/zinc/38/25/92/419382592.db2.gz AQOVXEFAGNKCFT-INIZCTEOSA-N 1 3 260.425 3.288 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844864 419385928 /nfs/dbraw/zinc/38/59/28/419385928.db2.gz KOTNRELJIJFPJS-XUWVNRHRSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000658036854 419515401 /nfs/dbraw/zinc/51/54/01/419515401.db2.gz ZCBVANWKYNJBCO-UONOGXRCSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036854 419515410 /nfs/dbraw/zinc/51/54/10/419515410.db2.gz ZCBVANWKYNJBCO-UONOGXRCSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000663395181 419590092 /nfs/dbraw/zinc/59/00/92/419590092.db2.gz DHBUERXTMJJGHV-ZNMIVQPWSA-N 1 3 298.434 3.405 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000663395181 419590095 /nfs/dbraw/zinc/59/00/95/419590095.db2.gz DHBUERXTMJJGHV-ZNMIVQPWSA-N 1 3 298.434 3.405 20 0 CGADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000663395180 419590839 /nfs/dbraw/zinc/59/08/39/419590839.db2.gz DHBUERXTMJJGHV-RBSFLKMASA-N 1 3 298.434 3.405 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466868 419619694 /nfs/dbraw/zinc/61/96/94/419619694.db2.gz ASRQJQCQKNIOLJ-WMLDXEAASA-N 1 3 292.492 3.391 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466868 419619703 /nfs/dbraw/zinc/61/97/03/419619703.db2.gz ASRQJQCQKNIOLJ-WMLDXEAASA-N 1 3 292.492 3.391 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466868 419619712 /nfs/dbraw/zinc/61/97/12/419619712.db2.gz ASRQJQCQKNIOLJ-WMLDXEAASA-N 1 3 292.492 3.391 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000663470672 419627794 /nfs/dbraw/zinc/62/77/94/419627794.db2.gz WGMXPNVBUCNNHC-UKRRQHHQSA-N 1 3 252.446 3.133 20 0 CGADHO CO[C@H](CNC1CC[NH+](C2CCCC2)CC1)C1CCCC1 ZINC000658316972 419757100 /nfs/dbraw/zinc/75/71/00/419757100.db2.gz UHAHCCBCEXIUNN-GOSISDBHSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1CCCC1 ZINC000658316972 419757112 /nfs/dbraw/zinc/75/71/12/419757112.db2.gz UHAHCCBCEXIUNN-GOSISDBHSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C2CCCC2)CC1)C1CCCC1 ZINC000658316973 419757139 /nfs/dbraw/zinc/75/71/39/419757139.db2.gz UHAHCCBCEXIUNN-SFHVURJKSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1CCCC1 ZINC000658316973 419757146 /nfs/dbraw/zinc/75/71/46/419757146.db2.gz UHAHCCBCEXIUNN-SFHVURJKSA-N 1 3 294.483 3.188 20 0 CGADHO CCCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534861 270035979 /nfs/dbraw/zinc/03/59/79/270035979.db2.gz UCLRVEMIQPUHJP-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO CCCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534861 270035981 /nfs/dbraw/zinc/03/59/81/270035981.db2.gz UCLRVEMIQPUHJP-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CCCc2ccc(Cl)cc2)C1 ZINC000011888895 265308732 /nfs/dbraw/zinc/30/87/32/265308732.db2.gz ASZXNXCYCUTSOH-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252103499 270091475 /nfs/dbraw/zinc/09/14/75/270091475.db2.gz GQJVWERTCQMYNO-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000521627153 270102832 /nfs/dbraw/zinc/10/28/32/270102832.db2.gz ZGZLCWFEDKXBIJ-NEPJUHHUSA-N 1 3 254.805 3.172 20 0 CGADHO C/C(Cl)=C/CN1CCC(CCC[NH+](C)C)CC1 ZINC000528434068 270165444 /nfs/dbraw/zinc/16/54/44/270165444.db2.gz UOADIENEFMYEKG-MLPAPPSSSA-N 1 3 258.837 3.183 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529546100 270183697 /nfs/dbraw/zinc/18/36/97/270183697.db2.gz UDTHYCZIZVUNLR-KBPBESRZSA-N 1 3 288.426 3.378 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530215805 270195573 /nfs/dbraw/zinc/19/55/73/270195573.db2.gz JDRNFEQRSQUPEW-KSZLIROESA-N 1 3 284.447 3.371 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530214866 270195610 /nfs/dbraw/zinc/19/56/10/270195610.db2.gz YPJXDMDDBBMYMU-DYVFJYSZSA-N 1 3 264.457 3.181 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCCCC1 ZINC000530216192 270195803 /nfs/dbraw/zinc/19/58/03/270195803.db2.gz NRKHDTGTEKQOCN-ZFWWWQNUSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCCCCC1 ZINC000530216192 270195804 /nfs/dbraw/zinc/19/58/04/270195804.db2.gz NRKHDTGTEKQOCN-ZFWWWQNUSA-N 1 3 250.430 3.220 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC[C@@H]2CC=CCC2)c2ccccc21 ZINC000530218188 270196194 /nfs/dbraw/zinc/19/61/94/270196194.db2.gz KHMOXJANGZCVEW-KBRIMQKVSA-N 1 3 256.393 3.467 20 0 CGADHO CC[C@H](CCc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530217370 270196231 /nfs/dbraw/zinc/19/62/31/270196231.db2.gz GSSKYPMUPZKOFB-HRBLRVMOSA-N 1 3 272.436 3.270 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000530223330 270196594 /nfs/dbraw/zinc/19/65/94/270196594.db2.gz UAZOZHIVGAEOEN-GZBFAFLISA-N 1 3 264.800 3.187 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000531694847 270208783 /nfs/dbraw/zinc/20/87/83/270208783.db2.gz UTRSIJLZQJBVRY-DOTOQJQBSA-N 1 3 290.451 3.295 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000423292395 274133171 /nfs/dbraw/zinc/13/31/71/274133171.db2.gz MVRZGVUQLPMZJO-YJYMSZOUSA-N 1 3 296.414 3.492 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1nccc2ccccc21 ZINC000353423017 274249050 /nfs/dbraw/zinc/24/90/50/274249050.db2.gz CKXWNJCFKVJCCJ-CABCVRRESA-N 1 3 295.430 3.370 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217963 274393304 /nfs/dbraw/zinc/39/33/04/274393304.db2.gz TXTVBBQPCVDNQM-ISTRZQFTSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217963 274393305 /nfs/dbraw/zinc/39/33/05/274393305.db2.gz TXTVBBQPCVDNQM-ISTRZQFTSA-N 1 3 276.399 3.275 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@H](C)CN(C)C)C2CC2)cc1 ZINC000425938228 274743524 /nfs/dbraw/zinc/74/35/24/274743524.db2.gz VXZUJTXTZMZXDN-MAUKXSAKSA-N 1 3 274.452 3.103 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2c1cccc2F ZINC000422760660 274839209 /nfs/dbraw/zinc/83/92/09/274839209.db2.gz LBIJRNFFNXFUJI-KZULUSFZSA-N 1 3 299.393 3.326 20 0 CGADHO Cc1nc2c(s1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423366594 274849034 /nfs/dbraw/zinc/84/90/34/274849034.db2.gz BRRCIZXAHSSUOL-HNNXBMFYSA-N 1 3 299.443 3.222 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423047363 274949245 /nfs/dbraw/zinc/94/92/45/274949245.db2.gz VBANSFOQKMBHRB-SZMVWBNQSA-N 1 3 288.410 3.479 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449473358 275815049 /nfs/dbraw/zinc/81/50/49/275815049.db2.gz BOOJFHUMQGLMHU-HNNXBMFYSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC000414956896 276042523 /nfs/dbraw/zinc/04/25/23/276042523.db2.gz QHNKPEKKVDFOKX-OIISXLGYSA-N 1 3 260.425 3.128 20 0 CGADHO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000261573481 276057813 /nfs/dbraw/zinc/05/78/13/276057813.db2.gz AQXSORRWKNHVGF-ZQIUZPCESA-N 1 3 260.425 3.459 20 0 CGADHO CC1(C)CCC(C[NH2+][C@@H]2CCNCC2(C)C)CC1 ZINC000261575065 276101865 /nfs/dbraw/zinc/10/18/65/276101865.db2.gz MWYNAGHXPCBFNN-CQSZACIVSA-N 1 3 252.446 3.181 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000449760437 276336463 /nfs/dbraw/zinc/33/64/63/276336463.db2.gz OQYPZGSVWKSQAF-HZPDHXFCSA-N 1 3 282.472 3.187 20 0 CGADHO C[NH+]1CCC(CCN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269894495 277026154 /nfs/dbraw/zinc/02/61/54/277026154.db2.gz XDFBTFSDALVPDU-MRXNPFEDSA-N 1 3 294.389 3.274 20 0 CGADHO CC(C)(C)CC[C@@H](CO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000355678198 277142803 /nfs/dbraw/zinc/14/28/03/277142803.db2.gz IOIJETFRQUDZGS-HNNXBMFYSA-N 1 3 284.488 3.026 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCC[NH+]2CCCCC2)CS1 ZINC000488456275 277261995 /nfs/dbraw/zinc/26/19/95/277261995.db2.gz HDRFAOMZIHLPME-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO CNCCC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423197971 277268481 /nfs/dbraw/zinc/26/84/81/277268481.db2.gz CHPCNTXZTPOWQD-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO C[NH2+]CCCN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423197971 277268482 /nfs/dbraw/zinc/26/84/82/277268482.db2.gz CHPCNTXZTPOWQD-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000328458517 277297510 /nfs/dbraw/zinc/29/75/10/277297510.db2.gz SSCCYYOUHOOCNF-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000328458517 277297511 /nfs/dbraw/zinc/29/75/11/277297511.db2.gz SSCCYYOUHOOCNF-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000328458517 277297512 /nfs/dbraw/zinc/29/75/12/277297512.db2.gz SSCCYYOUHOOCNF-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346998993 277367203 /nfs/dbraw/zinc/36/72/03/277367203.db2.gz YDCHBQKBANWORN-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346998993 277367204 /nfs/dbraw/zinc/36/72/04/277367204.db2.gz YDCHBQKBANWORN-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cccc(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000422565747 278006190 /nfs/dbraw/zinc/00/61/90/278006190.db2.gz ZYUHKNMVWXTUHT-DYEKYZERSA-N 1 3 298.377 3.093 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516758253 278026123 /nfs/dbraw/zinc/02/61/23/278026123.db2.gz WRHRGPYAHRBTMC-CPUCHLNUSA-N 1 3 288.435 3.145 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516758253 278026124 /nfs/dbraw/zinc/02/61/24/278026124.db2.gz WRHRGPYAHRBTMC-CPUCHLNUSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000397353293 288023086 /nfs/dbraw/zinc/02/30/86/288023086.db2.gz VFQGZJAQWGDIGG-YRGRVCCFSA-N 1 3 298.377 3.093 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CNC1CCC2(CC2)CC1 ZINC000423394269 278223586 /nfs/dbraw/zinc/22/35/86/278223586.db2.gz RXKLAHIHGIPQFZ-AWEZNQCLSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423161121 278227536 /nfs/dbraw/zinc/22/75/36/278227536.db2.gz NIZODPIAEMFZSM-CABZTGNLSA-N 1 3 286.341 3.198 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000397432809 288023789 /nfs/dbraw/zinc/02/37/89/288023789.db2.gz FOQGWAKFFUDORN-QRTARXTBSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@H](NCC(C)(C)[NH3+])C1(c2ccccc2)CCCC1 ZINC000423286888 278255358 /nfs/dbraw/zinc/25/53/58/278255358.db2.gz JHGFOXLPRMQOPF-AWEZNQCLSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H](C)C1CCCCC1 ZINC000423396508 278275200 /nfs/dbraw/zinc/27/52/00/278275200.db2.gz UGDFMFXLQVKUCM-HGTKMLMNSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNCC[C@H]2C)[C@@H]1C ZINC000423096731 278498173 /nfs/dbraw/zinc/49/81/73/278498173.db2.gz PRJFZRADYMRADT-SUJAAXHWSA-N 1 3 252.446 3.036 20 0 CGADHO Cc1ccc2nccc(N3CCC4(C3)CC[NH2+]CC4)c2c1 ZINC000335296255 278903734 /nfs/dbraw/zinc/90/37/34/278903734.db2.gz KORNVRPNWVSJHB-UHFFFAOYSA-N 1 3 281.403 3.123 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000459386853 288087075 /nfs/dbraw/zinc/08/70/75/288087075.db2.gz YZZRZANAYJFXCX-UHFFFAOYSA-N 1 3 299.393 3.288 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358391622 279014628 /nfs/dbraw/zinc/01/46/28/279014628.db2.gz FEDJLCDZROIRDF-PZNPJNSTSA-N 1 3 276.399 3.131 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358391622 279014629 /nfs/dbraw/zinc/01/46/29/279014629.db2.gz FEDJLCDZROIRDF-PZNPJNSTSA-N 1 3 276.399 3.131 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCCC[NH+]1CCCCC1 ZINC000480165951 279021607 /nfs/dbraw/zinc/02/16/07/279021607.db2.gz ODQRHOUMUGSLFO-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000423368023 279027208 /nfs/dbraw/zinc/02/72/08/279027208.db2.gz MUTSKZQVJAGKSZ-FZKCQIBNSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H]1CCc2c1c(F)ccc2F ZINC000423442641 279255375 /nfs/dbraw/zinc/25/53/75/279255375.db2.gz VDNUCQPDOPXEGE-YGRLFVJLSA-N 1 3 268.351 3.059 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228074626 288152951 /nfs/dbraw/zinc/15/29/51/288152951.db2.gz SEBPWTQTJNZIMN-YWPYICTPSA-N 1 3 266.816 3.460 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCCC[C@H]1CN)C1CCCC1 ZINC000422830190 279899868 /nfs/dbraw/zinc/89/98/68/279899868.db2.gz VJOPITGQNRVQOI-GVDBMIGSSA-N 1 3 282.472 3.079 20 0 CGADHO C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)CN1CCCCC1 ZINC000527641129 288179442 /nfs/dbraw/zinc/17/94/42/288179442.db2.gz KXUHUESJNIEDQH-JHNDHUHGSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423147394 280035403 /nfs/dbraw/zinc/03/54/03/280035403.db2.gz CNUHGTNMEZMJNE-SMLCLMEVSA-N 1 3 264.457 3.179 20 0 CGADHO C[C@H]1c2c(F)cccc2CCN1CCC1CC[NH2+]CC1 ZINC000516651666 280121059 /nfs/dbraw/zinc/12/10/59/280121059.db2.gz CIUQODMAUNBSIG-ZDUSSCGKSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OC)cc1 ZINC000181844463 280188244 /nfs/dbraw/zinc/18/82/44/280188244.db2.gz ZZRABSRIHXAALL-NVXWUHKLSA-N 1 3 276.424 3.220 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)Cc1ccccc1 ZINC000423069758 280255921 /nfs/dbraw/zinc/25/59/21/280255921.db2.gz LZSMBQFELPXLCW-WDSOQIARSA-N 1 3 288.479 3.479 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000423398913 280333481 /nfs/dbraw/zinc/33/34/81/280333481.db2.gz PECMMWJCLIALOC-XZJROXQQSA-N 1 3 282.378 3.250 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCCC[NH2+]C1)CC3 ZINC000415071706 281035305 /nfs/dbraw/zinc/03/53/05/281035305.db2.gz UIUCQVIXWKAHOD-HUUCEWRRSA-N 1 3 297.446 3.065 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000423132441 281097651 /nfs/dbraw/zinc/09/76/51/281097651.db2.gz UOMCYZORHAWUOS-XIRDDKMYSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]1CN)CCC2 ZINC000423132441 281097652 /nfs/dbraw/zinc/09/76/52/281097652.db2.gz UOMCYZORHAWUOS-XIRDDKMYSA-N 1 3 258.409 3.089 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530179291 288296404 /nfs/dbraw/zinc/29/64/04/288296404.db2.gz SIDZVAJVKYNEHF-SJORKVTESA-N 1 3 272.436 3.272 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179900 288296874 /nfs/dbraw/zinc/29/68/74/288296874.db2.gz YPNLHEWVMUEAET-DLBZAZTESA-N 1 3 272.436 3.190 20 0 CGADHO Cc1cccc(CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000423099594 281214804 /nfs/dbraw/zinc/21/48/04/281214804.db2.gz FPEONEUTZNGXPF-MSOLQXFVSA-N 1 3 281.403 3.057 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)OC ZINC000449477221 281285441 /nfs/dbraw/zinc/28/54/41/281285441.db2.gz OPXGWXOGTBELFI-BPQIPLTHSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)OC ZINC000449477221 281285443 /nfs/dbraw/zinc/28/54/43/281285443.db2.gz OPXGWXOGTBELFI-BPQIPLTHSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1ccccc1[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000271323418 281366366 /nfs/dbraw/zinc/36/63/66/281366366.db2.gz UEIWXTNLEFFOEM-SJORKVTESA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccccc1[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000271323418 281366367 /nfs/dbraw/zinc/36/63/67/281366367.db2.gz UEIWXTNLEFFOEM-SJORKVTESA-N 1 3 272.436 3.269 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000531101303 288329388 /nfs/dbraw/zinc/32/93/88/288329388.db2.gz DBSZQBJSIFEQCG-GOSISDBHSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101303 288329389 /nfs/dbraw/zinc/32/93/89/288329389.db2.gz DBSZQBJSIFEQCG-GOSISDBHSA-N 1 3 286.463 3.467 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(Cl)cc1 ZINC000544573074 288853899 /nfs/dbraw/zinc/85/38/99/288853899.db2.gz RWPIMSUGTSBFHD-AWEZNQCLSA-N 1 3 298.858 3.349 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000550894340 289088973 /nfs/dbraw/zinc/08/89/73/289088973.db2.gz DQMLGCLUNWVEPC-PVAVHDDUSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000550894340 289088975 /nfs/dbraw/zinc/08/89/75/289088975.db2.gz DQMLGCLUNWVEPC-PVAVHDDUSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000554072324 289255173 /nfs/dbraw/zinc/25/51/73/289255173.db2.gz RGBIBVKCUDDMJF-CJNGLKHVSA-N 1 3 250.430 3.172 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442796591 289380363 /nfs/dbraw/zinc/38/03/63/289380363.db2.gz UKWBFADJWOXTEL-HOAMVYINSA-N 1 3 274.399 3.273 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000558229199 289480395 /nfs/dbraw/zinc/48/03/95/289480395.db2.gz XLPXMPHULFIEAZ-ZWKOTPCHSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@H](C[NH2+]C1CC2(CCC2)C1)CN1CCCCC1 ZINC000448072490 289686631 /nfs/dbraw/zinc/68/66/31/289686631.db2.gz SYQWOKFWHMAIOL-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)CN1CCCCC1 ZINC000502242660 289692470 /nfs/dbraw/zinc/69/24/70/289692470.db2.gz RTPMEDMBCQSUMW-VQHPVUNQSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2cccc(F)c2F)CCCC1 ZINC000423081834 289733302 /nfs/dbraw/zinc/73/33/02/289733302.db2.gz VRZIGXYRNYIFAC-QWHCGFSZSA-N 1 3 296.405 3.492 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(Cl)cc1 ZINC000422749281 293260593 /nfs/dbraw/zinc/26/05/93/293260593.db2.gz YKDYKLKUXXQJRC-LLVKDONJSA-N 1 3 289.810 3.353 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423053029 294040909 /nfs/dbraw/zinc/04/09/09/294040909.db2.gz RVDYSJUUSMFZTA-PBHICJAKSA-N 1 3 286.419 3.391 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCCCC1(F)F ZINC000423148312 295297009 /nfs/dbraw/zinc/29/70/09/295297009.db2.gz UYFKEQHSVXDYKG-YNEHKIRRSA-N 1 3 260.372 3.062 20 0 CGADHO NC1(C[NH2+][C@@H]2CCC[C@H]2CCF)C2CC3CC(C2)CC1C3 ZINC000423517274 303359585 /nfs/dbraw/zinc/35/95/85/303359585.db2.gz BMGLWWCIZBMUIB-ALKVMWCTSA-N 1 3 294.458 3.258 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422798344 303400739 /nfs/dbraw/zinc/40/07/39/303400739.db2.gz QSJZHOPAZNEQAK-VIQHNZTISA-N 1 3 264.457 3.452 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000335197017 304855402 /nfs/dbraw/zinc/85/54/02/304855402.db2.gz PAOYGFQIUXIMTQ-IRXDYDNUSA-N 1 3 258.409 3.054 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2N2CCCCC2)C1 ZINC000563796261 322010638 /nfs/dbraw/zinc/01/06/38/322010638.db2.gz WOERDMRSCCTSGS-IAGOWNOFSA-N 1 3 287.451 3.036 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(CCc2ccccc2F)CC1 ZINC000563798603 322010655 /nfs/dbraw/zinc/01/06/55/322010655.db2.gz MHFGITWTNJYFBE-UHFFFAOYSA-N 1 3 292.442 3.420 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(CCc2ccccc2F)CC1 ZINC000563798603 322010656 /nfs/dbraw/zinc/01/06/56/322010656.db2.gz MHFGITWTNJYFBE-UHFFFAOYSA-N 1 3 292.442 3.420 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(Sc3ccccc3)CC2)C1 ZINC000565226668 322068108 /nfs/dbraw/zinc/06/81/08/322068108.db2.gz PRAZIBPGDRZWKR-UONOGXRCSA-N 1 3 276.449 3.171 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000565435397 322077776 /nfs/dbraw/zinc/07/77/76/322077776.db2.gz VEARPTPRDZOOPD-JKSUJKDBSA-N 1 3 250.430 3.291 20 0 CGADHO CN(C)[C@H]1CCC[N@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000565435397 322077778 /nfs/dbraw/zinc/07/77/78/322077778.db2.gz VEARPTPRDZOOPD-JKSUJKDBSA-N 1 3 250.430 3.291 20 0 CGADHO C[NH+](C)[C@H]1CCCN([C@@H]2C=CCCCCC2)CC1 ZINC000565435397 322077779 /nfs/dbraw/zinc/07/77/79/322077779.db2.gz VEARPTPRDZOOPD-JKSUJKDBSA-N 1 3 250.430 3.291 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCCc2cccs2)c2ccccc21 ZINC000565534010 322081283 /nfs/dbraw/zinc/08/12/83/322081283.db2.gz UWXQBARDJKEXJV-JKSUJKDBSA-N 1 3 272.417 3.415 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000565608669 322083922 /nfs/dbraw/zinc/08/39/22/322083922.db2.gz IPFZHLVKPCYWTP-UONOGXRCSA-N 1 3 274.433 3.303 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2csc3ccccc23)C1 ZINC000565608669 322083924 /nfs/dbraw/zinc/08/39/24/322083924.db2.gz IPFZHLVKPCYWTP-UONOGXRCSA-N 1 3 274.433 3.303 20 0 CGADHO CCCCCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000565657724 322085449 /nfs/dbraw/zinc/08/54/49/322085449.db2.gz GIZQGBVBIUVSMU-CABCVRRESA-N 1 3 278.440 3.471 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000565827648 322092862 /nfs/dbraw/zinc/09/28/62/322092862.db2.gz RVIVPKOXQGCZLH-GRYCIOLGSA-N 1 3 278.362 3.085 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000565950908 322097782 /nfs/dbraw/zinc/09/77/82/322097782.db2.gz MUSXJFHMKGWJJB-MSOLQXFVSA-N 1 3 274.452 3.248 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000566087994 322103550 /nfs/dbraw/zinc/10/35/50/322103550.db2.gz JXMOWSIUQJKXIP-HNNXBMFYSA-N 1 3 262.441 3.332 20 0 CGADHO CCNCCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000566087994 322103551 /nfs/dbraw/zinc/10/35/51/322103551.db2.gz JXMOWSIUQJKXIP-HNNXBMFYSA-N 1 3 262.441 3.332 20 0 CGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccoc1 ZINC000566092554 322104060 /nfs/dbraw/zinc/10/40/60/322104060.db2.gz SQUNITQZKIZRLQ-CJNGLKHVSA-N 1 3 258.365 3.410 20 0 CGADHO COc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000566244843 322111080 /nfs/dbraw/zinc/11/10/80/322111080.db2.gz AQJHNGPKWXBHDF-ZDUSSCGKSA-N 1 3 270.376 3.005 20 0 CGADHO CC[NH2+]CCCN[C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000567638851 322171812 /nfs/dbraw/zinc/17/18/12/322171812.db2.gz MHFSNUPPRXVTOW-CVEARBPZSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)Cc1ccccc1 ZINC000568248391 322200637 /nfs/dbraw/zinc/20/06/37/322200637.db2.gz PMPGNABVIUUCGM-HZPDHXFCSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1ccc(CNCc2ccc(C[NH3+])cc2)cc1Cl ZINC000569484762 322248605 /nfs/dbraw/zinc/24/86/05/322248605.db2.gz CRFHILSLJNETTL-UHFFFAOYSA-N 1 3 274.795 3.397 20 0 CGADHO CC[C@H](F)C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000569514287 322249363 /nfs/dbraw/zinc/24/93/63/322249363.db2.gz ZEFCOZUGKDJFKI-KURKYZTESA-N 1 3 290.426 3.188 20 0 CGADHO CC[C@H](F)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000569514287 322249364 /nfs/dbraw/zinc/24/93/64/322249364.db2.gz ZEFCOZUGKDJFKI-KURKYZTESA-N 1 3 290.426 3.188 20 0 CGADHO C[C@@H]([NH2+]C1(CF)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000569811695 322257791 /nfs/dbraw/zinc/25/77/91/322257791.db2.gz UHOCCJLBSIMWBY-WBVHZDCISA-N 1 3 290.426 3.379 20 0 CGADHO Cc1cc(CNCCC[NH2+]Cc2cccnc2)c(C)s1 ZINC000570304177 322270480 /nfs/dbraw/zinc/27/04/80/322270480.db2.gz WSPPQAYHBKGXJH-UHFFFAOYSA-N 1 3 289.448 3.029 20 0 CGADHO COc1ccc([C@H](NCc2ccc(C[NH3+])cc2)C2CC2)cc1 ZINC000571209003 322292848 /nfs/dbraw/zinc/29/28/48/322292848.db2.gz GLIMIXJVVYUARX-LJQANCHMSA-N 1 3 296.414 3.395 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCSc2ccc(F)cc2)C1 ZINC000571581169 322302475 /nfs/dbraw/zinc/30/24/75/322302475.db2.gz JKDJXRJPJLIWCY-KGLIPLIRSA-N 1 3 282.428 3.167 20 0 CGADHO NC1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CCCCC1 ZINC000571651380 322304321 /nfs/dbraw/zinc/30/43/21/322304321.db2.gz IQSFTLXMUOKZLL-UHFFFAOYSA-N 1 3 295.430 3.500 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000572497287 322340823 /nfs/dbraw/zinc/34/08/23/322340823.db2.gz JLKRVSUCYVTQMX-SQWLQELKSA-N 1 3 262.372 3.063 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000572648086 322348408 /nfs/dbraw/zinc/34/84/08/322348408.db2.gz NJMBBUGTVNLRSY-HSBZDZAISA-N 1 3 274.399 3.130 20 0 CGADHO Cc1c(Br)cccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000573221027 322376839 /nfs/dbraw/zinc/37/68/39/322376839.db2.gz XCNWGJPSQWOYKV-STQMWFEESA-N 1 3 297.240 3.117 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1C ZINC000573385826 322385460 /nfs/dbraw/zinc/38/54/60/322385460.db2.gz KEERVZXBOQSLEJ-OWCLPIDISA-N 1 3 276.424 3.012 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000582514935 329099657 /nfs/dbraw/zinc/09/96/57/329099657.db2.gz ZJUHUNWIQLMHEK-XJKSGUPXSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000582514935 329099659 /nfs/dbraw/zinc/09/96/59/329099659.db2.gz ZJUHUNWIQLMHEK-XJKSGUPXSA-N 1 3 280.843 3.420 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000583806413 329479758 /nfs/dbraw/zinc/47/97/58/329479758.db2.gz DOFDFDFSTQHKHK-NEPJUHHUSA-N 1 3 266.351 3.085 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000174629791 335161162 /nfs/dbraw/zinc/16/11/62/335161162.db2.gz CZTQLOLAELTVPC-NVXWUHKLSA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000174629791 335161164 /nfs/dbraw/zinc/16/11/64/335161164.db2.gz CZTQLOLAELTVPC-NVXWUHKLSA-N 1 3 260.425 3.123 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576172572 335165128 /nfs/dbraw/zinc/16/51/28/335165128.db2.gz QCUNONWGCWKXNR-HZPDHXFCSA-N 1 3 290.451 3.222 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000581125262 336011362 /nfs/dbraw/zinc/01/13/62/336011362.db2.gz BWQNTBNKNIWCCG-PZPSRYQVSA-N 1 3 299.393 3.195 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000581895278 336162464 /nfs/dbraw/zinc/16/24/64/336162464.db2.gz YXNWKAAULAGMJX-FDYHWXHSSA-N 1 3 278.362 3.215 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000581954360 336178785 /nfs/dbraw/zinc/17/87/85/336178785.db2.gz URGMINMFEQJWOY-STQMWFEESA-N 1 3 278.827 3.231 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccccc3Cl)CC2)C1 ZINC000581954360 336178784 /nfs/dbraw/zinc/17/87/84/336178784.db2.gz URGMINMFEQJWOY-STQMWFEESA-N 1 3 278.827 3.231 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000423303278 533771788 /nfs/dbraw/zinc/77/17/88/533771788.db2.gz ISWCOIDRIBRPGX-RYUDHWBXSA-N 1 3 260.356 3.224 20 0 CGADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ncc[nH]1 ZINC000365116574 533805972 /nfs/dbraw/zinc/80/59/72/533805972.db2.gz KESSBXQMHGVKJI-FHERZECASA-N 1 3 290.455 3.103 20 0 CGADHO COc1cccc2c1CC[C@@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423289141 533868862 /nfs/dbraw/zinc/86/88/62/533868862.db2.gz AKTUKKSJPCNZJF-ACJLOTCBSA-N 1 3 296.414 3.492 20 0 CGADHO COc1ccccc1C(C)(C)[NH2+]CCCN1CCCCC1 ZINC000161783487 533982434 /nfs/dbraw/zinc/98/24/34/533982434.db2.gz HPHPVZJIZJBJMA-UHFFFAOYSA-N 1 3 290.451 3.396 20 0 CGADHO Fc1ccc(F)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422817127 534478357 /nfs/dbraw/zinc/47/83/57/534478357.db2.gz CGWHHCXMEWKLJS-USXIJHARSA-N 1 3 294.389 3.018 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422808376 534481092 /nfs/dbraw/zinc/48/10/92/534481092.db2.gz KZHMKVOZVXAHQX-OKZBNKHCSA-N 1 3 284.447 3.229 20 0 CGADHO Fc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423391829 534501940 /nfs/dbraw/zinc/50/19/40/534501940.db2.gz PUQWSYROIJVZPH-SFHVURJKSA-N 1 3 282.362 3.206 20 0 CGADHO c1csc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192926038 534521980 /nfs/dbraw/zinc/52/19/80/534521980.db2.gz QZGXTPLRAGSLJZ-INIZCTEOSA-N 1 3 286.444 3.360 20 0 CGADHO c1csc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192926038 534521984 /nfs/dbraw/zinc/52/19/84/534521984.db2.gz QZGXTPLRAGSLJZ-INIZCTEOSA-N 1 3 286.444 3.360 20 0 CGADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000049554316 522689692 /nfs/dbraw/zinc/68/96/92/522689692.db2.gz VMGHKSASCZDVHJ-BBRMVZONSA-N 1 3 276.424 3.002 20 0 CGADHO CC(C)(C)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000414794498 526779482 /nfs/dbraw/zinc/77/94/82/526779482.db2.gz FVHWOVAXWJTTFX-DGCLKSJQSA-N 1 3 266.454 3.263 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC12CCC2)CN1CCCC1 ZINC000449284063 527179036 /nfs/dbraw/zinc/17/90/36/527179036.db2.gz NLFPINKLMUFJBZ-HNNXBMFYSA-N 1 3 264.457 3.421 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026005 527752435 /nfs/dbraw/zinc/75/24/35/527752435.db2.gz DGBJNVMJKFVQHT-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(C)c2)C[C@H]1C ZINC000449026005 527752441 /nfs/dbraw/zinc/75/24/41/527752441.db2.gz DGBJNVMJKFVQHT-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423286819 527782779 /nfs/dbraw/zinc/78/27/79/527782779.db2.gz IZGVVDGPSPWOBQ-AWEZNQCLSA-N 1 3 278.440 3.499 20 0 CGADHO CCC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc(OC)cc1 ZINC000423270623 528224516 /nfs/dbraw/zinc/22/45/16/528224516.db2.gz IEXDLFLKKOEYDR-HOTGVXAUSA-N 1 3 264.413 3.109 20 0 CGADHO CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000423379364 528240232 /nfs/dbraw/zinc/24/02/32/528240232.db2.gz XJKLOZOUNOGDBD-RDBSUJKOSA-N 1 3 252.427 3.449 20 0 CGADHO CC[NH2+][C@H](C)CN[C@H](CCc1ccccc1)C(C)C ZINC000423377756 528424220 /nfs/dbraw/zinc/42/42/20/528424220.db2.gz KIXDBVMATKWFBB-NVXWUHKLSA-N 1 3 262.441 3.231 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423264327 528533519 /nfs/dbraw/zinc/53/35/19/528533519.db2.gz PXMVGEYCYRAHLS-GUYCJALGSA-N 1 3 256.393 3.474 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423271796 528533683 /nfs/dbraw/zinc/53/36/83/528533683.db2.gz JJPOPRIYDKIRDQ-HOTGVXAUSA-N 1 3 280.843 3.234 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271366 528534319 /nfs/dbraw/zinc/53/43/19/528534319.db2.gz IZZLEWZLYYRBIA-LSDHHAIUSA-N 1 3 266.816 3.364 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cc2ccccc2o1 ZINC000423338443 528588273 /nfs/dbraw/zinc/58/82/73/528588273.db2.gz ZEVSGOUJQSOARM-RHSMWYFYSA-N 1 3 272.392 3.457 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423290220 528953442 /nfs/dbraw/zinc/95/34/42/528953442.db2.gz CLGHQXADDDEUNZ-KBRIMQKVSA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423482551 528971301 /nfs/dbraw/zinc/97/13/01/528971301.db2.gz YBVPTCMOYXWGRW-JLJPHGGASA-N 1 3 278.415 3.153 20 0 CGADHO CCC[C@@H](NC[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423297286 529011475 /nfs/dbraw/zinc/01/14/75/529011475.db2.gz JQOYFBQXRXOJMK-BXUZGUMPSA-N 1 3 254.805 3.366 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@H](C)[C@H](C)[NH3+] ZINC000423432387 529029056 /nfs/dbraw/zinc/02/90/56/529029056.db2.gz BJLQKIGWLYTHLL-GUTXKFCHSA-N 1 3 266.454 3.129 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423271795 529070556 /nfs/dbraw/zinc/07/05/56/529070556.db2.gz JJPOPRIYDKIRDQ-CVEARBPZSA-N 1 3 280.843 3.234 20 0 CGADHO CCSc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423338069 529247725 /nfs/dbraw/zinc/24/77/25/529247725.db2.gz IASYEOVQHKXVQD-ZDUSSCGKSA-N 1 3 276.449 3.369 20 0 CGADHO CC(C)(C[NH2+]CC1CCCCC1)CN1CCCC1 ZINC000480924605 535146306 /nfs/dbraw/zinc/14/63/06/535146306.db2.gz HBIGIUBGRWMEBJ-UHFFFAOYSA-N 1 3 252.446 3.278 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000093692888 535596807 /nfs/dbraw/zinc/59/68/07/535596807.db2.gz PAWDRWJKMMMPTF-JKSUJKDBSA-N 1 3 250.430 3.006 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093692888 535596810 /nfs/dbraw/zinc/59/68/10/535596810.db2.gz PAWDRWJKMMMPTF-JKSUJKDBSA-N 1 3 250.430 3.006 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN(CC)CC)[C@@H]1CCOC1 ZINC000484308169 535932114 /nfs/dbraw/zinc/93/21/14/535932114.db2.gz MCGRDMXZOFOEOP-XWTMOSNGSA-N 1 3 296.499 3.292 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411189 536370337 /nfs/dbraw/zinc/37/03/37/536370337.db2.gz DGGAVEFIFMKWBP-QZTJIDSGSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411189 536370339 /nfs/dbraw/zinc/37/03/39/536370339.db2.gz DGGAVEFIFMKWBP-QZTJIDSGSA-N 1 3 290.426 3.273 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cc3cc(F)ccc3o2)C1 ZINC000459743164 536384556 /nfs/dbraw/zinc/38/45/56/536384556.db2.gz WTANZAAAOFTCJP-CYBMUJFWSA-N 1 3 290.382 3.393 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cc3cc(F)ccc3o2)C1 ZINC000459743164 536384562 /nfs/dbraw/zinc/38/45/62/536384562.db2.gz WTANZAAAOFTCJP-CYBMUJFWSA-N 1 3 290.382 3.393 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000250693724 571692233 /nfs/dbraw/zinc/69/22/33/571692233.db2.gz KZRLNTNVBGOFLB-RRFJBIMHSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000166132355 572459767 /nfs/dbraw/zinc/45/97/67/572459767.db2.gz PVXCCYWYKCCJLP-BEFAXECRSA-N 1 3 284.447 3.446 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132355 572459769 /nfs/dbraw/zinc/45/97/69/572459769.db2.gz PVXCCYWYKCCJLP-BEFAXECRSA-N 1 3 284.447 3.446 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCO[C@H](C)C2)CC1 ZINC000926136108 618155361 /nfs/dbraw/zinc/15/53/61/618155361.db2.gz SZXNXRUEFRKSPM-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO CC[C@@H](C)[C@@H](CNC1CC[NH+](CCC(C)C)CC1)OC ZINC000926502146 618713209 /nfs/dbraw/zinc/71/32/09/618713209.db2.gz CXXDGOSKFCEMHN-NVXWUHKLSA-N 1 3 284.488 3.148 20 0 CGADHO CC1CC[NH+](CCCC[NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000892588915 618868478 /nfs/dbraw/zinc/86/84/78/618868478.db2.gz KFHBGVACZOMEEO-UHFFFAOYSA-N 1 3 294.414 3.133 20 0 CGADHO CO[C@H]1CCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000163912094 618891529 /nfs/dbraw/zinc/89/15/29/618891529.db2.gz UHEBWDMJXBXVII-MSOLQXFVSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@H]1CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000163912094 618891532 /nfs/dbraw/zinc/89/15/32/618891532.db2.gz UHEBWDMJXBXVII-MSOLQXFVSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCCS1 ZINC000925553927 619053410 /nfs/dbraw/zinc/05/34/10/619053410.db2.gz WGIWNKBVDAYUMJ-HRCADAONSA-N 1 3 282.497 3.030 20 0 CGADHO FC1(F)CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925627916 619096142 /nfs/dbraw/zinc/09/61/42/619096142.db2.gz BVUJYCGUKMDWDX-HUUCEWRRSA-N 1 3 286.410 3.322 20 0 CGADHO CCC1([NH3+])CCN([C@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000925756309 619220379 /nfs/dbraw/zinc/22/03/79/619220379.db2.gz KOGLDYHAGPKSRG-LSDHHAIUSA-N 1 3 282.472 3.029 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c(C)c1 ZINC000925776910 619239664 /nfs/dbraw/zinc/23/96/64/619239664.db2.gz AWOQFVNCNWQBHA-KBPBESRZSA-N 1 3 282.378 3.199 20 0 CGADHO CCCSC[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000894171472 619403824 /nfs/dbraw/zinc/40/38/24/619403824.db2.gz JFQZWSWCPIJYSD-NFOMZHRRSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@H](CC[NH2+]Cc1cc2c(cccc2O)s1)N(C)C ZINC000895290335 619796524 /nfs/dbraw/zinc/79/65/24/619796524.db2.gz GZBQPZGDRNWYAI-LLVKDONJSA-N 1 3 278.421 3.037 20 0 CGADHO CC1(N2CCC2)CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000895669662 619868986 /nfs/dbraw/zinc/86/89/86/619868986.db2.gz ALEUWXGNTMUSJE-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO COc1ccc2cc(CN3CC[C@H](C)[C@H](C[NH3+])C3)ccc2c1 ZINC000262552111 620206345 /nfs/dbraw/zinc/20/63/45/620206345.db2.gz SQEDIRJUPZNRHY-KBXCAEBGSA-N 1 3 298.430 3.265 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902043239 621113913 /nfs/dbraw/zinc/11/39/13/621113913.db2.gz WEKKTFVETONISW-UHFFFAOYSA-N 1 3 275.440 3.001 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCCOC2CCCCCC2)C1 ZINC000902331608 621266878 /nfs/dbraw/zinc/26/68/78/621266878.db2.gz UYGWBUVITNHRGF-OAHLLOKOSA-N 1 3 282.472 3.094 20 0 CGADHO CCO[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902375487 621278647 /nfs/dbraw/zinc/27/86/47/621278647.db2.gz IAXRRQWYZVNASY-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902476262 621326259 /nfs/dbraw/zinc/32/62/59/621326259.db2.gz OJBGHYDSURIWPT-MXASKKJJSA-N 1 3 272.436 3.225 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902478426 621327343 /nfs/dbraw/zinc/32/73/43/621327343.db2.gz WSFBVQXZTBFUMS-RSJGLCBASA-N 1 3 270.420 3.195 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)O1 ZINC000902462025 621337008 /nfs/dbraw/zinc/33/70/08/621337008.db2.gz SGNXFAASEHANNC-BRWVUGGUSA-N 1 3 294.483 3.092 20 0 CGADHO CC1(C)CCC[C@H](CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)O1 ZINC000902462025 621337010 /nfs/dbraw/zinc/33/70/10/621337010.db2.gz SGNXFAASEHANNC-BRWVUGGUSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](c1ccncc1)C1CC1 ZINC000902513411 621351661 /nfs/dbraw/zinc/35/16/61/621351661.db2.gz FYOLTUYXQQTYHL-UGSOOPFHSA-N 1 3 296.418 3.046 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903384373 621725879 /nfs/dbraw/zinc/72/58/79/621725879.db2.gz RBORMTILHWSAGL-PVAVHDDUSA-N 1 3 275.440 3.243 20 0 CGADHO Fc1cccc(Cl)c1CNCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923369 621833487 /nfs/dbraw/zinc/83/34/87/621833487.db2.gz RSNLZWLMFMNWCP-YOGCLGLASA-N 1 3 282.790 3.099 20 0 CGADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000903955170 621842951 /nfs/dbraw/zinc/84/29/51/621842951.db2.gz LYFGGZDETIEEEJ-INIZCTEOSA-N 1 3 290.357 3.174 20 0 CGADHO C[C@@H](Cc1cccs1)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904362011 621912652 /nfs/dbraw/zinc/91/26/52/621912652.db2.gz FRKRRVPXZLTOLT-QWHCGFSZSA-N 1 3 268.470 3.422 20 0 CGADHO CN(C)[C@H](CNC[C@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367757 621913062 /nfs/dbraw/zinc/91/30/62/621913062.db2.gz HYOZVWOKWWWIRS-IAGOWNOFSA-N 1 3 291.483 3.033 20 0 CGADHO COc1cccc(CN2CCC(C(C)(C)C[NH3+])CC2)c1F ZINC000904444482 621922529 /nfs/dbraw/zinc/92/25/29/621922529.db2.gz NMKGHSAYNBJVKW-UHFFFAOYSA-N 1 3 294.414 3.031 20 0 CGADHO [NH3+]C1(CNCCCc2c(Cl)cccc2Cl)CC1 ZINC000904445636 621923777 /nfs/dbraw/zinc/92/37/77/621923777.db2.gz YYFXBFXBEATWTJ-UHFFFAOYSA-N 1 3 273.207 3.007 20 0 CGADHO C[NH+](C)Cc1ccc(-c2ccc(F)c3c2CCNC3)cc1 ZINC000904751551 621961758 /nfs/dbraw/zinc/96/17/58/621961758.db2.gz FQSHGBBCQCLRLD-UHFFFAOYSA-N 1 3 284.378 3.200 20 0 CGADHO CSC1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000924857438 622775030 /nfs/dbraw/zinc/77/50/30/622775030.db2.gz UYMVCVKHFWSPQD-UHFFFAOYSA-N 1 3 282.497 3.125 20 0 CGADHO CSC1CC(NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000924857438 622775034 /nfs/dbraw/zinc/77/50/34/622775034.db2.gz UYMVCVKHFWSPQD-UHFFFAOYSA-N 1 3 282.497 3.125 20 0 CGADHO CCCN(Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226436165 622968484 /nfs/dbraw/zinc/96/84/84/622968484.db2.gz WKGBMFJYESOLBD-HNNXBMFYSA-N 1 3 264.388 3.037 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCSC(F)(F)F ZINC000231940391 623350442 /nfs/dbraw/zinc/35/04/42/623350442.db2.gz ONVUCPGGLFOXKF-GHMZBOCLSA-N 1 3 284.391 3.140 20 0 CGADHO CC[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@H]1N ZINC000923344975 626148712 /nfs/dbraw/zinc/14/87/12/626148712.db2.gz LPPPYUJKNNQLNJ-HUUCEWRRSA-N 1 3 250.430 3.016 20 0 CGADHO CC[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@H]1N ZINC000923344975 626148715 /nfs/dbraw/zinc/14/87/15/626148715.db2.gz LPPPYUJKNNQLNJ-HUUCEWRRSA-N 1 3 250.430 3.016 20 0 CGADHO Cc1oc(-c2ccccc2)nc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497678 626158526 /nfs/dbraw/zinc/15/85/26/626158526.db2.gz IVWOSUHOQGDPBL-XJKSGUPXSA-N 1 3 299.418 3.067 20 0 CGADHO c1ccc(CSCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000754785223 626587387 /nfs/dbraw/zinc/58/73/87/626587387.db2.gz JRUCVGJSUVYPGJ-IRXDYDNUSA-N 1 3 290.476 3.136 20 0 CGADHO c1ccc(CSCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754785223 626587389 /nfs/dbraw/zinc/58/73/89/626587389.db2.gz JRUCVGJSUVYPGJ-IRXDYDNUSA-N 1 3 290.476 3.136 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000765467186 627251523 /nfs/dbraw/zinc/25/15/23/627251523.db2.gz DDIZOVQEGGLZAI-KBPBESRZSA-N 1 3 297.402 3.282 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000765467186 627251526 /nfs/dbraw/zinc/25/15/26/627251526.db2.gz DDIZOVQEGGLZAI-KBPBESRZSA-N 1 3 297.402 3.282 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000766478378 627335461 /nfs/dbraw/zinc/33/54/61/627335461.db2.gz IZVJIGOYPGMMFE-JZXOWHBKSA-N 1 3 272.436 3.445 20 0 CGADHO FC(F)C1CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000769533544 627563585 /nfs/dbraw/zinc/56/35/85/627563585.db2.gz DZKTXWMYJHIMAQ-UHFFFAOYSA-N 1 3 272.383 3.027 20 0 CGADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623460 628115083 /nfs/dbraw/zinc/11/50/83/628115083.db2.gz QOFSBHOOMREHFF-UONOGXRCSA-N 1 3 283.419 3.303 20 0 CGADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623460 628115087 /nfs/dbraw/zinc/11/50/87/628115087.db2.gz QOFSBHOOMREHFF-UONOGXRCSA-N 1 3 283.419 3.303 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000783291347 628699627 /nfs/dbraw/zinc/69/96/27/628699627.db2.gz OZLHJWWZLQHVGQ-NYTXWWLZSA-N 1 3 250.430 3.028 20 0 CGADHO c1ccc2c(c1)cncc2C[NH2+]C1CC(N2CCCCC2)C1 ZINC000793338246 629444791 /nfs/dbraw/zinc/44/47/91/629444791.db2.gz VTXYMTYJOOLWLE-UHFFFAOYSA-N 1 3 295.430 3.341 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863654309 629634025 /nfs/dbraw/zinc/63/40/25/629634025.db2.gz WHQJOROFHVCJGD-UKRRQHHQSA-N 1 3 266.816 3.290 20 0 CGADHO COc1c(C)cc([C@H](C)NC2CC[NH+](C)CC2)cc1Cl ZINC000796674639 629813858 /nfs/dbraw/zinc/81/38/58/629813858.db2.gz IRYMZNXWRWSDAC-LBPRGKRZSA-N 1 3 296.842 3.402 20 0 CGADHO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCc2cc(C)ccc21 ZINC000797115457 629890865 /nfs/dbraw/zinc/89/08/65/629890865.db2.gz UBBZWBQPQBYZFF-WMZOPIPTSA-N 1 3 272.436 3.446 20 0 CGADHO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCc2cc(C)ccc21 ZINC000797115457 629890868 /nfs/dbraw/zinc/89/08/68/629890868.db2.gz UBBZWBQPQBYZFF-WMZOPIPTSA-N 1 3 272.436 3.446 20 0 CGADHO Cc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cc(Cl)n1 ZINC000797599280 629967248 /nfs/dbraw/zinc/96/72/48/629967248.db2.gz XGPOWIBHCAICBI-UHFFFAOYSA-N 1 3 293.842 3.150 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000815583479 631800234 /nfs/dbraw/zinc/80/02/34/631800234.db2.gz HEGCTHZODXBNMS-KCQAQPDRSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000815583479 631800236 /nfs/dbraw/zinc/80/02/36/631800236.db2.gz HEGCTHZODXBNMS-KCQAQPDRSA-N 1 3 264.388 3.267 20 0 CGADHO CC[C@H](NCC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817937818 632238128 /nfs/dbraw/zinc/23/81/28/632238128.db2.gz XXCJZBQJEAHVSI-SRVKXCTJSA-N 1 3 279.255 3.081 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000817946580 632243744 /nfs/dbraw/zinc/24/37/44/632243744.db2.gz AAGAMZHIEFSMNT-PMPSAXMXSA-N 1 3 290.451 3.351 20 0 CGADHO C[C@H](NCc1cccc(CO)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809929 632680724 /nfs/dbraw/zinc/68/07/24/632680724.db2.gz LCUCIMXQOQQHOZ-HNNXBMFYSA-N 1 3 298.430 3.091 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000821372883 632759422 /nfs/dbraw/zinc/75/94/22/632759422.db2.gz AUGFQYFDIQZITK-XLAORIBOSA-N 1 3 294.483 3.140 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000821372883 632759429 /nfs/dbraw/zinc/75/94/29/632759429.db2.gz AUGFQYFDIQZITK-XLAORIBOSA-N 1 3 294.483 3.140 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000866707413 633235640 /nfs/dbraw/zinc/23/56/40/633235640.db2.gz OAHKMBSQCOHMNX-YPMHNXCESA-N 1 3 293.282 3.267 20 0 CGADHO CC[C@@](C)(CNC1CC[NH+](CC2CCCCC2)CC1)OC ZINC000824744080 633282425 /nfs/dbraw/zinc/28/24/25/633282425.db2.gz ZDGRTEMNWASNJX-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@@](C)(C[NH2+]C1CCN(CC2CCCCC2)CC1)OC ZINC000824744080 633282429 /nfs/dbraw/zinc/28/24/29/633282429.db2.gz ZDGRTEMNWASNJX-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO CC1(C)CC[C@@H](CNC2CCC3(CCOCC3)CC2)[NH2+]C1 ZINC000873236037 634295900 /nfs/dbraw/zinc/29/59/00/634295900.db2.gz WKVQSZVBDJTOOH-INIZCTEOSA-N 1 3 294.483 3.094 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCC(C)(C)SC)C1 ZINC000876775570 634897633 /nfs/dbraw/zinc/89/76/33/634897633.db2.gz YJESTQOAXNFRRU-CQSZACIVSA-N 1 3 272.502 3.182 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876775570 634897637 /nfs/dbraw/zinc/89/76/37/634897637.db2.gz YJESTQOAXNFRRU-CQSZACIVSA-N 1 3 272.502 3.182 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1cccc2ncccc12 ZINC000877527804 635072958 /nfs/dbraw/zinc/07/29/58/635072958.db2.gz RTTZBILAMVIOAV-UHFFFAOYSA-N 1 3 271.408 3.008 20 0 CGADHO c1c2ccccc2[nH]c1C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000843060399 635555012 /nfs/dbraw/zinc/55/50/12/635555012.db2.gz HLCYFSGIZRRKLX-HNNXBMFYSA-N 1 3 297.446 3.347 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(SC(F)F)cc1 ZINC000843129929 635563512 /nfs/dbraw/zinc/56/35/12/635563512.db2.gz UWGDDUOSXRJVMC-VHSXEESVSA-N 1 3 274.380 3.217 20 0 CGADHO [NH3+]CCCCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000843342425 635650193 /nfs/dbraw/zinc/65/01/93/635650193.db2.gz QNPZGRKTCUDEEU-GOSISDBHSA-N 1 3 283.419 3.280 20 0 CGADHO Cc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)c(C)n1 ZINC000879250778 635737422 /nfs/dbraw/zinc/73/74/22/635737422.db2.gz ZDVDLKNUKKAZCX-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO CN1CC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573681 635814513 /nfs/dbraw/zinc/81/45/13/635814513.db2.gz PORRWJJMPWNSEB-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573681 635814516 /nfs/dbraw/zinc/81/45/16/635814516.db2.gz PORRWJJMPWNSEB-WBVHZDCISA-N 1 3 292.854 3.299 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259390 635959223 /nfs/dbraw/zinc/95/92/23/635959223.db2.gz RSOZHYJAQPYTBS-KBPBESRZSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259390 635959227 /nfs/dbraw/zinc/95/92/27/635959227.db2.gz RSOZHYJAQPYTBS-KBPBESRZSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259390 635959231 /nfs/dbraw/zinc/95/92/31/635959231.db2.gz RSOZHYJAQPYTBS-KBPBESRZSA-N 1 3 297.393 3.274 20 0 CGADHO C[C@H](NCCC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844922960 635985244 /nfs/dbraw/zinc/98/52/44/635985244.db2.gz DPLQKDXCDFMACE-TUAOUCFPSA-N 1 3 279.255 3.081 20 0 CGADHO [NH3+]CCCCCCN1CCc2c(Cl)cccc2C1 ZINC000846217866 636161005 /nfs/dbraw/zinc/16/10/05/636161005.db2.gz HJQLXZBOAIEMNP-UHFFFAOYSA-N 1 3 266.816 3.217 20 0 CGADHO [NH3+]CCCCCCN1CC[C@H]1c1cccc(F)c1 ZINC000846219287 636162054 /nfs/dbraw/zinc/16/20/54/636162054.db2.gz NCPMYKMGHOFYGW-HNNXBMFYSA-N 1 3 250.361 3.092 20 0 CGADHO COC[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000883320792 636672266 /nfs/dbraw/zinc/67/22/66/636672266.db2.gz VUSRCINCEWWNSX-LMSBXDPUSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434408 637060725 /nfs/dbraw/zinc/06/07/25/637060725.db2.gz XMSGLULKXIQSBX-LSDHHAIUSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434408 637060727 /nfs/dbraw/zinc/06/07/27/637060727.db2.gz XMSGLULKXIQSBX-LSDHHAIUSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(C(C)(C)C)s1 ZINC000215984144 637106473 /nfs/dbraw/zinc/10/64/73/637106473.db2.gz VECVBUPHYOMNSF-NEPJUHHUSA-N 1 3 266.454 3.215 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885923148 637313232 /nfs/dbraw/zinc/31/32/32/637313232.db2.gz RHYZEVFNNTYSNM-CQSZACIVSA-N 1 3 295.858 3.337 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(Cl)cn2)C1 ZINC000885923148 637313237 /nfs/dbraw/zinc/31/32/37/637313237.db2.gz RHYZEVFNNTYSNM-CQSZACIVSA-N 1 3 295.858 3.337 20 0 CGADHO FC1(F)CCC[C@@H]1CCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876210 637714983 /nfs/dbraw/zinc/71/49/83/637714983.db2.gz XMYXDPYFHKLQNK-CABCVRRESA-N 1 3 286.410 3.278 20 0 CGADHO C[C@@H](c1ccccc1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867226 637715116 /nfs/dbraw/zinc/71/51/16/637715116.db2.gz AGCPAHPHKGLRAE-RDJZCZTQSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H](c1ccccc1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867227 637715792 /nfs/dbraw/zinc/71/57/92/637715792.db2.gz AGCPAHPHKGLRAE-WBVHZDCISA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H]1CCC(F)(F)C1 ZINC000887134753 637755729 /nfs/dbraw/zinc/75/57/29/637755729.db2.gz PRARKXVZDWMCHV-KBPBESRZSA-N 1 3 295.377 3.028 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924577668 638365343 /nfs/dbraw/zinc/36/53/43/638365343.db2.gz LWOPSXIPVYTBMR-MSOLQXFVSA-N 1 3 296.499 3.029 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H](C)C2CC2)CC1 ZINC000924829942 638410002 /nfs/dbraw/zinc/41/00/02/638410002.db2.gz XWQFRQBTLOOOGP-AWEZNQCLSA-N 1 3 252.446 3.133 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000857254044 638483301 /nfs/dbraw/zinc/48/33/01/638483301.db2.gz WOCKKUVOFDVZHH-WQAKAFBOSA-N 1 3 285.218 3.305 20 0 CGADHO c1csc(CCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925628612 638549077 /nfs/dbraw/zinc/54/90/77/638549077.db2.gz FDPKXJJATKLWEZ-SJORKVTESA-N 1 3 292.492 3.439 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925662599 638560783 /nfs/dbraw/zinc/56/07/83/638560783.db2.gz JTEYJYOYUPHAGD-RFQIPJPRSA-N 1 3 286.410 3.178 20 0 CGADHO C[C@@]1(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000925678285 638567681 /nfs/dbraw/zinc/56/76/81/638567681.db2.gz UOHNMGXLVRSZHN-NBOOPKSLSA-N 1 3 272.436 3.428 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc3cccnc3c2)C1 ZINC000925724450 638582874 /nfs/dbraw/zinc/58/28/74/638582874.db2.gz BDSUMMRMKLJCOG-HZPDHXFCSA-N 1 3 283.419 3.230 20 0 CGADHO CCSc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000925732536 638586376 /nfs/dbraw/zinc/58/63/76/638586376.db2.gz PJFUDEZIEQVKEG-VXGBXAGGSA-N 1 3 252.427 3.014 20 0 CGADHO C1[C@@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000925765900 638602440 /nfs/dbraw/zinc/60/24/40/638602440.db2.gz PJHSDKRTGFITOQ-IECFSIQFSA-N 1 3 276.468 3.323 20 0 CGADHO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc([O-])cc(F)c1 ZINC000926305213 638761385 /nfs/dbraw/zinc/76/13/85/638761385.db2.gz AYSPYBOJNBKKPG-GFCCVEGCSA-N 1 3 292.398 3.056 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H](C)CC(F)F)CC1 ZINC000926627637 638791865 /nfs/dbraw/zinc/79/18/65/638791865.db2.gz OFKSNJTYAYVXPW-CYBMUJFWSA-N 1 3 276.415 3.378 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000926697797 638800022 /nfs/dbraw/zinc/80/00/22/638800022.db2.gz ZOMYIMDBTHRVKO-UHFFFAOYSA-N 1 3 284.488 3.292 20 0 CGADHO CCSC1(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000926709766 638802302 /nfs/dbraw/zinc/80/23/02/638802302.db2.gz KXMSWVRTHVMZSD-UHFFFAOYSA-N 1 3 284.513 3.372 20 0 CGADHO C1=CO[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000188570497 640143071 /nfs/dbraw/zinc/14/30/71/640143071.db2.gz WBJFKEMLPKUDHB-QGZVFWFLSA-N 1 3 278.440 3.066 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000089145371 640630616 /nfs/dbraw/zinc/63/06/16/640630616.db2.gz PTWWSQHTZYWYPZ-GDBMZVCRSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000089149126 640631485 /nfs/dbraw/zinc/63/14/85/640631485.db2.gz WGMKUZHWXSVABP-ZKYQVNSYSA-N 1 3 286.341 3.483 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000246833864 640695362 /nfs/dbraw/zinc/69/53/62/640695362.db2.gz BFGJYGUOGTUVLG-HZSPNIEDSA-N 1 3 272.502 3.369 20 0 CGADHO C[C@H](Cc1ccco1)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000250969733 640818566 /nfs/dbraw/zinc/81/85/66/640818566.db2.gz DLVCPQSYKBTFAD-RBSFLKMASA-N 1 3 264.413 3.111 20 0 CGADHO CC(C)N(CCC[NH3+])C(C)(C)c1ccnc(Cl)c1 ZINC001156124351 805655638 /nfs/dbraw/zinc/65/56/38/805655638.db2.gz HAXWQQPBMBOQJT-UHFFFAOYSA-N 1 3 269.820 3.029 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCCC1 ZINC001253080126 806160716 /nfs/dbraw/zinc/16/07/16/806160716.db2.gz MKFMUQCEZYNERV-QGZVFWFLSA-N 1 3 258.409 3.058 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@H]2CCCc3c(F)cccc32)CC1 ZINC001254507576 806427903 /nfs/dbraw/zinc/42/79/03/806427903.db2.gz CJOPVQDBJKSPGC-GUYCJALGSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@H]2CCCc3c(F)cccc32)CC1 ZINC001254507576 806427907 /nfs/dbraw/zinc/42/79/07/806427907.db2.gz CJOPVQDBJKSPGC-GUYCJALGSA-N 1 3 276.399 3.277 20 0 CGADHO Cc1ccc(F)cc1[C@H](C)N[C@H]1CCC[N@H+](C)CC1 ZINC001254511015 806430061 /nfs/dbraw/zinc/43/00/61/806430061.db2.gz ZPYATRWKZQBNEE-ZFWWWQNUSA-N 1 3 264.388 3.269 20 0 CGADHO Cc1ccc(F)cc1[C@H](C)N[C@H]1CCC[N@@H+](C)CC1 ZINC001254511015 806430066 /nfs/dbraw/zinc/43/00/66/806430066.db2.gz ZPYATRWKZQBNEE-ZFWWWQNUSA-N 1 3 264.388 3.269 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CCC[N@H+](C)CC2)cc1C ZINC001254531891 806444296 /nfs/dbraw/zinc/44/42/96/806444296.db2.gz MQNROZBMDBOHOZ-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CCC[N@@H+](C)CC2)cc1C ZINC001254531891 806444299 /nfs/dbraw/zinc/44/42/99/806444299.db2.gz MQNROZBMDBOHOZ-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO C[C@H](N)c1ccn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255393561 806633676 /nfs/dbraw/zinc/63/36/76/806633676.db2.gz OVIDAOGQIBUVCL-RDJZCZTQSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@H](N)c1ccn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393561 806633680 /nfs/dbraw/zinc/63/36/80/806633680.db2.gz OVIDAOGQIBUVCL-RDJZCZTQSA-N 1 3 298.434 3.130 20 0 CGADHO CN1CC2(C1)CC[NH+](C1CCC(C(F)(F)F)CC1)CC2 ZINC001255522404 806662872 /nfs/dbraw/zinc/66/28/72/806662872.db2.gz OTKKOXLHOVSRSI-UHFFFAOYSA-N 1 3 290.373 3.135 20 0 CGADHO Cc1ncccc1[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255672314 806701272 /nfs/dbraw/zinc/70/12/72/806701272.db2.gz AQCZHYGAJPYFOF-RGPMPMONSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1ncccc1[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255672314 806701279 /nfs/dbraw/zinc/70/12/79/806701279.db2.gz AQCZHYGAJPYFOF-RGPMPMONSA-N 1 3 299.462 3.446 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000094901358 798972335 /nfs/dbraw/zinc/97/23/35/798972335.db2.gz KRDOVFGVNOUFMQ-YJBOKZPZSA-N 1 3 274.452 3.444 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC001255780043 806747931 /nfs/dbraw/zinc/74/79/31/806747931.db2.gz GRYVUYCIQNUESR-RYQLBKOJSA-N 1 3 274.452 3.388 20 0 CGADHO [NH3+][C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000403517471 799567555 /nfs/dbraw/zinc/56/75/55/799567555.db2.gz OUARSEBKWMBDHR-MAQXHSOZSA-N 1 3 274.433 3.147 20 0 CGADHO Cc1ccc2c(c1)nccc2N[C@H]1C[NH+]2CCC1CC2 ZINC001163395402 806757903 /nfs/dbraw/zinc/75/79/03/806757903.db2.gz UEKMEJJFEYQEDB-KRWDZBQOSA-N 1 3 267.376 3.049 20 0 CGADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950649 799741072 /nfs/dbraw/zinc/74/10/72/799741072.db2.gz YWQASWCPPYKBCS-SMDDNHRTSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950649 799741074 /nfs/dbraw/zinc/74/10/74/799741074.db2.gz YWQASWCPPYKBCS-SMDDNHRTSA-N 1 3 264.438 3.014 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOc1ccc(F)cc1 ZINC001255942386 806790874 /nfs/dbraw/zinc/79/08/74/806790874.db2.gz FNYWWHURQNXFNA-OAHLLOKOSA-N 1 3 296.430 3.305 20 0 CGADHO CC[N@H+](Cc1cc2c(s1)CCNC2)[C@H](C)C(C)C ZINC000707122442 799974009 /nfs/dbraw/zinc/97/40/09/799974009.db2.gz OULLNANZVPYQPV-GFCCVEGCSA-N 1 3 266.454 3.260 20 0 CGADHO CC[N@@H+](Cc1cc2c(s1)CCNC2)[C@H](C)C(C)C ZINC000707122442 799974012 /nfs/dbraw/zinc/97/40/12/799974012.db2.gz OULLNANZVPYQPV-GFCCVEGCSA-N 1 3 266.454 3.260 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNCC2(C)C)CC(C)(C)C1 ZINC000708327835 799985795 /nfs/dbraw/zinc/98/57/95/799985795.db2.gz CLUYNXNAELJUCW-RDBSUJKOSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708848597 799996546 /nfs/dbraw/zinc/99/65/46/799996546.db2.gz FZYUHGDTKXQEBN-ZACQAIPSSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708848597 799996551 /nfs/dbraw/zinc/99/65/51/799996551.db2.gz FZYUHGDTKXQEBN-ZACQAIPSSA-N 1 3 264.457 3.419 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)c1ccc(N)cc1 ZINC001255948462 806794110 /nfs/dbraw/zinc/79/41/10/806794110.db2.gz LPCZOENXBBLHFP-ZIAGYGMSSA-N 1 3 263.429 3.040 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001255948607 806794119 /nfs/dbraw/zinc/79/41/19/806794119.db2.gz OSQBVHICYFHOPH-CYBMUJFWSA-N 1 3 284.394 3.217 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccc(F)c(F)c1 ZINC001255948607 806794122 /nfs/dbraw/zinc/79/41/22/806794122.db2.gz OSQBVHICYFHOPH-CYBMUJFWSA-N 1 3 284.394 3.217 20 0 CGADHO CC(C)(C)C1CC[NH+]([C@@H]2CCNC(C)(C)C2)CC1 ZINC000709483339 800009751 /nfs/dbraw/zinc/00/97/51/800009751.db2.gz QHAOGJVRDITJEX-CQSZACIVSA-N 1 3 252.446 3.275 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)(C)Cc1ccccn1 ZINC001255954567 806798777 /nfs/dbraw/zinc/79/87/77/806798777.db2.gz XTIHFBMADFYEGX-INIZCTEOSA-N 1 3 291.483 3.360 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001255958198 806799911 /nfs/dbraw/zinc/79/99/11/806799911.db2.gz ZKYLMLQIAPYRQN-OAGGEKHMSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001255958198 806799917 /nfs/dbraw/zinc/79/99/17/806799917.db2.gz ZKYLMLQIAPYRQN-OAGGEKHMSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001255958089 806799965 /nfs/dbraw/zinc/79/99/65/806799965.db2.gz YNGBCYLXPSQVHZ-HRCADAONSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001255958089 806799969 /nfs/dbraw/zinc/79/99/69/806799969.db2.gz YNGBCYLXPSQVHZ-HRCADAONSA-N 1 3 252.446 3.229 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N1CCCC2(CCC2)C1 ZINC001255970321 806802317 /nfs/dbraw/zinc/80/23/17/806802317.db2.gz CFAWWRMRWLKQGL-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCCC2(CCC2)C1 ZINC001255970321 806802326 /nfs/dbraw/zinc/80/23/26/806802326.db2.gz CFAWWRMRWLKQGL-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC001255970321 806802332 /nfs/dbraw/zinc/80/23/32/806802332.db2.gz CFAWWRMRWLKQGL-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(Cl)c(Cl)c2)C12CCC2 ZINC000716317872 800168688 /nfs/dbraw/zinc/16/86/88/800168688.db2.gz CGUITRDDMZCVQA-UONOGXRCSA-N 1 3 299.245 3.395 20 0 CGADHO FCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624989 800177083 /nfs/dbraw/zinc/17/70/83/800177083.db2.gz JXEADJKNGPAOJM-KSZLIROESA-N 1 3 290.426 3.379 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@@H]2CC[C@@H]3C[C@@H]32)c2ccccc21 ZINC000717033268 800189560 /nfs/dbraw/zinc/18/95/60/800189560.db2.gz ZHQJFINWJRQMOX-GHVWTTSJSA-N 1 3 256.393 3.157 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720806186 800267412 /nfs/dbraw/zinc/26/74/12/800267412.db2.gz PERFDWAWISKQGI-STQMWFEESA-N 1 3 278.362 3.026 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723563948 800330117 /nfs/dbraw/zinc/33/01/17/800330117.db2.gz BQACMUXEYAXBAI-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@@H](c1ccc(Cl)cc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723853188 800340019 /nfs/dbraw/zinc/34/00/19/800340019.db2.gz JCCRRGRJPQWTKJ-KYOSRNDESA-N 1 3 266.816 3.318 20 0 CGADHO COc1cccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC001256153985 806836892 /nfs/dbraw/zinc/83/68/92/806836892.db2.gz RQZPXODKNIMLLQ-BHYGNILZSA-N 1 3 290.451 3.089 20 0 CGADHO Cc1cc(Cl)cc(NCC2(N(C)C)CC[NH+](C)CC2)c1 ZINC001164212911 806917039 /nfs/dbraw/zinc/91/70/39/806917039.db2.gz JYTKTXDUZWZFHB-UHFFFAOYSA-N 1 3 295.858 3.086 20 0 CGADHO Cc1cc2c(cn1)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)CC2 ZINC001256566151 806917992 /nfs/dbraw/zinc/91/79/92/806917992.db2.gz QJHNFFOOCJALCG-KRWDZBQOSA-N 1 3 287.451 3.230 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001256616532 806925808 /nfs/dbraw/zinc/92/58/08/806925808.db2.gz UXSVYCHMRZAAFU-BTFYYFJDSA-N 1 3 286.419 3.033 20 0 CGADHO C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001256622370 806928240 /nfs/dbraw/zinc/92/82/40/806928240.db2.gz HSYWMASORLTTRP-JTUUTPGSSA-N 1 3 270.420 3.231 20 0 CGADHO C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001256622370 806928243 /nfs/dbraw/zinc/92/82/43/806928243.db2.gz HSYWMASORLTTRP-JTUUTPGSSA-N 1 3 270.420 3.231 20 0 CGADHO Cc1ccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001256628484 806931905 /nfs/dbraw/zinc/93/19/05/806931905.db2.gz GGWPAPUCQGDSNU-UJJTZGENSA-N 1 3 285.435 3.152 20 0 CGADHO Cc1ccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001256628484 806931910 /nfs/dbraw/zinc/93/19/10/806931910.db2.gz GGWPAPUCQGDSNU-UJJTZGENSA-N 1 3 285.435 3.152 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2ccncc2)CC1 ZINC001256752749 806972474 /nfs/dbraw/zinc/97/24/74/806972474.db2.gz FHDYQPKDOQVAEU-MRXNPFEDSA-N 1 3 289.467 3.209 20 0 CGADHO C[C@H]([NH2+]C/C=C\C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001117713832 802480300 /nfs/dbraw/zinc/48/03/00/802480300.db2.gz YJPSSMDEKVSGPB-JLXOXMNXSA-N 1 3 284.447 3.453 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001118020363 802518429 /nfs/dbraw/zinc/51/84/29/802518429.db2.gz VHULVDGUCAMUJH-NWDGAFQWSA-N 1 3 288.357 3.224 20 0 CGADHO Oc1cccc2sc(C[NH2+]CCCN3CCCC3)cc21 ZINC001119445907 802667052 /nfs/dbraw/zinc/66/70/52/802667052.db2.gz RLJSNIXQPDZXBM-UHFFFAOYSA-N 1 3 290.432 3.182 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@H]2C1 ZINC001137687847 803759906 /nfs/dbraw/zinc/75/99/06/803759906.db2.gz FWZGBFMPUOLWTG-HUUCEWRRSA-N 1 3 286.444 3.285 20 0 CGADHO CCc1cccc2c(CN3CC4(C3)CC[NH+](C)CC4)c[nH]c21 ZINC001138362713 803905444 /nfs/dbraw/zinc/90/54/44/803905444.db2.gz DHWOTIOYKRPQDV-UHFFFAOYSA-N 1 3 297.446 3.258 20 0 CGADHO Cc1ccccc1C[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246071173 804108269 /nfs/dbraw/zinc/10/82/69/804108269.db2.gz INHDTZAQKLCCIE-PMACEKPBSA-N 1 3 294.442 3.448 20 0 CGADHO Cc1ccc(SC[C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC001246074032 804111560 /nfs/dbraw/zinc/11/15/60/804111560.db2.gz BKKDEFXYCSVZOA-CQSZACIVSA-N 1 3 278.465 3.337 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246074433 804112221 /nfs/dbraw/zinc/11/22/21/804112221.db2.gz PFXICQDGRMYNSK-HOTGVXAUSA-N 1 3 278.415 3.125 20 0 CGADHO Fc1ccccc1CCN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246074337 804112247 /nfs/dbraw/zinc/11/22/47/804112247.db2.gz OVXFZMRAJNYIMU-INIZCTEOSA-N 1 3 290.426 3.413 20 0 CGADHO Clc1cc2c(cc1Cl)C[C@@H]([NH2+]C1CCNCC1)CC2 ZINC001246078782 804115330 /nfs/dbraw/zinc/11/53/30/804115330.db2.gz MYGSSMXTIMBMHW-ZDUSSCGKSA-N 1 3 299.245 3.192 20 0 CGADHO C[C@]1([NH2+]C2CCC3(CCc4ccccc43)CC2)CCNC1 ZINC001246091966 804123590 /nfs/dbraw/zinc/12/35/90/804123590.db2.gz BJLHOCABOKTKGD-AVAKVYKDSA-N 1 3 284.447 3.155 20 0 CGADHO CCCCC[C@H](CC)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246113194 804144648 /nfs/dbraw/zinc/14/46/48/804144648.db2.gz NJKCWYQZNBYBIT-GJZGRUSLSA-N 1 3 258.425 3.417 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100041 804133551 /nfs/dbraw/zinc/13/35/51/804133551.db2.gz NMKXIBVTJHHQLY-RWMBFGLXSA-N 1 3 298.833 3.245 20 0 CGADHO F[C@]1(CNC2CCCCCCC2)CCCC[NH2+]C1 ZINC001246117025 804149369 /nfs/dbraw/zinc/14/93/69/804149369.db2.gz YWLWPUDVJFWKFW-OAHLLOKOSA-N 1 3 256.409 3.171 20 0 CGADHO Cc1ccc(CCCN[C@@H]2CC[NH2+][C@H](C(C)C)C2)s1 ZINC001246127625 804154212 /nfs/dbraw/zinc/15/42/12/804154212.db2.gz LNTUTFZMHQMWBI-ZBFHGGJFSA-N 1 3 280.481 3.355 20 0 CGADHO CCCCC(CCCC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246144335 804167030 /nfs/dbraw/zinc/16/70/30/804167030.db2.gz KMQXSAZPIMNDRC-MSOLQXFVSA-N 1 3 296.499 3.484 20 0 CGADHO C[NH2+]CC[C@@H](C)NCCc1ccc(Cl)cc1Cl ZINC001246160866 804177511 /nfs/dbraw/zinc/17/75/11/804177511.db2.gz WDYWZQVHKDBIPN-SNVBAGLBSA-N 1 3 275.223 3.124 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246170966 804186511 /nfs/dbraw/zinc/18/65/11/804186511.db2.gz PJIPZBNQUUIRTA-JKSUJKDBSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246186732 804198592 /nfs/dbraw/zinc/19/85/92/804198592.db2.gz ATZKWRCXEIWGIK-CVEARBPZSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCN1 ZINC001246193323 804201630 /nfs/dbraw/zinc/20/16/30/804201630.db2.gz MPTYQCOFIYFLJI-JQWIXIFHSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@H]1CCC[NH2+]C1 ZINC001246198504 804205255 /nfs/dbraw/zinc/20/52/55/804205255.db2.gz PWFWIWREYMAYPE-OLZOCXBDSA-N 1 3 298.883 3.410 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCCc2ccccc2F)CC[NH2+]1 ZINC001246229904 804223169 /nfs/dbraw/zinc/22/31/69/804223169.db2.gz MXXGZEJEHXJZKF-WBVHZDCISA-N 1 3 278.415 3.125 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246279170 804254336 /nfs/dbraw/zinc/25/43/36/804254336.db2.gz NWKTXBOBTHFGPI-XJKSGUPXSA-N 1 3 296.405 3.264 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246310797 804272996 /nfs/dbraw/zinc/27/29/96/804272996.db2.gz QUCCPNNANWJAFJ-ZACQAIPSSA-N 1 3 292.854 3.318 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CCC[C@@H]1[NH3+] ZINC001246314813 804274916 /nfs/dbraw/zinc/27/49/16/804274916.db2.gz ZCHHYCOJIRBSAW-HERUPUMHSA-N 1 3 287.234 3.394 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246331858 804285620 /nfs/dbraw/zinc/28/56/20/804285620.db2.gz KBMBYKOARJXUQT-GBJTYRQASA-N 1 3 252.446 3.321 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CCN1 ZINC001246341338 804292396 /nfs/dbraw/zinc/29/23/96/804292396.db2.gz XQQIBJRQZPVULS-LBPRGKRZSA-N 1 3 286.612 3.230 20 0 CGADHO CCCC1CCC([NH2+][C@H]2CCN[C@@H](CC)C2)CC1 ZINC001246339598 804292646 /nfs/dbraw/zinc/29/26/46/804292646.db2.gz QMWCDVPJDQLZTQ-GRAKBVBRSA-N 1 3 252.446 3.466 20 0 CGADHO CCCCC1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246342981 804294393 /nfs/dbraw/zinc/29/43/93/804294393.db2.gz QHRJXFZESVAXPZ-UYSNPLJNSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246364859 804306970 /nfs/dbraw/zinc/30/69/70/804306970.db2.gz MUAYQSFACWFERN-SJLPKXTDSA-N 1 3 285.435 3.077 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246367191 804307374 /nfs/dbraw/zinc/30/73/74/804307374.db2.gz SLOIEEWOZFXAID-GBESFXJTSA-N 1 3 286.463 3.444 20 0 CGADHO Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246383390 804313290 /nfs/dbraw/zinc/31/32/90/804313290.db2.gz IYOUGBLYTDXHFK-DOTOQJQBSA-N 1 3 274.452 3.294 20 0 CGADHO COCCC1([NH2+]C2CCC(C(C)(C)C)CC2)CCNCC1 ZINC001246385758 804314950 /nfs/dbraw/zinc/31/49/50/804314950.db2.gz DQJARKAZAFQXBV-UHFFFAOYSA-N 1 3 296.499 3.340 20 0 CGADHO CCCCC[C@H](CC)[NH2+]C1(CCOC)CCNCC1 ZINC001246393012 804319331 /nfs/dbraw/zinc/31/93/31/804319331.db2.gz QYDKULJONCELRL-HNNXBMFYSA-N 1 3 270.461 3.094 20 0 CGADHO CCC[C@@H](CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246417190 804326680 /nfs/dbraw/zinc/32/66/80/804326680.db2.gz VLZUFWGBOWTZBZ-MRXNPFEDSA-N 1 3 290.451 3.442 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([NH2+]C3(CC4CCC4)CCNCC3)C[C@@H]21 ZINC001246446029 804333214 /nfs/dbraw/zinc/33/32/14/804333214.db2.gz JWAXBFWLLXYJMZ-PHZGNYQRSA-N 1 3 276.468 3.323 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC12CNC2 ZINC001246453942 804335224 /nfs/dbraw/zinc/33/52/24/804335224.db2.gz YKFPKQFRGPFKNS-IINYFYTJSA-N 1 3 299.245 3.266 20 0 CGADHO CCC[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246455202 804339017 /nfs/dbraw/zinc/33/90/17/804339017.db2.gz HNAWDSIKKVXTDK-CQSZACIVSA-N 1 3 278.415 3.269 20 0 CGADHO CC1(C)CC(NC[C@]2(CC3CC3)CCC[NH2+]2)CC(C)(C)O1 ZINC001246461650 804342218 /nfs/dbraw/zinc/34/22/18/804342218.db2.gz OULXFDRQRKDDGU-GOSISDBHSA-N 1 3 294.483 3.235 20 0 CGADHO CN[C@H]1C[C@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001246463617 804343907 /nfs/dbraw/zinc/34/39/07/804343907.db2.gz WHSGFXSBZGVXMR-VNGAXPGBSA-N 1 3 272.436 3.128 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)CCN1 ZINC001246465679 804345192 /nfs/dbraw/zinc/34/51/92/804345192.db2.gz LFRMDOFZHKVTEN-ZACQAIPSSA-N 1 3 272.436 3.227 20 0 CGADHO C[C@]1(CNC2CCC3(CCCC3)CC2)CCC[NH2+]1 ZINC001246470781 804347831 /nfs/dbraw/zinc/34/78/31/804347831.db2.gz RKGGUMLEPAXPGX-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246473675 804350199 /nfs/dbraw/zinc/35/01/99/804350199.db2.gz MPIOCEARYFIMPF-QZTJIDSGSA-N 1 3 286.463 3.376 20 0 CGADHO C1=C[C@H](NC2CCC(c3ccccc3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246477007 804351857 /nfs/dbraw/zinc/35/18/57/804351857.db2.gz YEMFQXNUPIYHQK-NQEVIQBJSA-N 1 3 282.431 3.076 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246496236 804361362 /nfs/dbraw/zinc/36/13/62/804361362.db2.gz TWHCNVIZQDMRAS-AIEDFZFUSA-N 1 3 252.446 3.177 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001246513033 804367528 /nfs/dbraw/zinc/36/75/28/804367528.db2.gz UVRGCNMHJBZABJ-GFCCVEGCSA-N 1 3 299.245 3.322 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H](CC)C1CNC1 ZINC001246520119 804373055 /nfs/dbraw/zinc/37/30/55/804373055.db2.gz VAXSXDGCBZKSCO-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H]1C[C@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521229 804375375 /nfs/dbraw/zinc/37/53/75/804375375.db2.gz YHXHADOSRDQKLD-GOEBONIOSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521229 804375383 /nfs/dbraw/zinc/37/53/83/804375383.db2.gz YHXHADOSRDQKLD-GOEBONIOSA-N 1 3 260.425 3.428 20 0 CGADHO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246537350 804385485 /nfs/dbraw/zinc/38/54/85/804385485.db2.gz VJZOVYJEOAPMFM-ZMSDIMECSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246537350 804385492 /nfs/dbraw/zinc/38/54/92/804385492.db2.gz VJZOVYJEOAPMFM-ZMSDIMECSA-N 1 3 290.451 3.089 20 0 CGADHO CN(Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246538074 804388232 /nfs/dbraw/zinc/38/82/32/804388232.db2.gz MHUYGILVLXBYPV-IMRBUKKESA-N 1 3 299.245 3.423 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2[C@H]2CCN[C@H](C)C2)c1 ZINC001246538816 804388354 /nfs/dbraw/zinc/38/83/54/804388354.db2.gz OFMFDEBGURHIQK-HYVNUMGLSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C)C2)c1 ZINC001246538816 804388362 /nfs/dbraw/zinc/38/83/62/804388362.db2.gz OFMFDEBGURHIQK-HYVNUMGLSA-N 1 3 258.409 3.272 20 0 CGADHO C[C@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@H]1CN ZINC001246544938 804392162 /nfs/dbraw/zinc/39/21/62/804392162.db2.gz DYGIFVXSTAJEEE-XHSDSOJGSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@H]1CN ZINC001246544938 804392171 /nfs/dbraw/zinc/39/21/71/804392171.db2.gz DYGIFVXSTAJEEE-XHSDSOJGSA-N 1 3 264.457 3.406 20 0 CGADHO CCc1ccc(C[C@@H](C)N2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001246549471 804398227 /nfs/dbraw/zinc/39/82/27/804398227.db2.gz JAZOYEOAYDPQEL-CRAIPNDOSA-N 1 3 274.452 3.111 20 0 CGADHO C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551238 804400706 /nfs/dbraw/zinc/40/07/06/804400706.db2.gz XOYOCGMDLRKZRW-MXASKKJJSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551238 804400709 /nfs/dbraw/zinc/40/07/09/804400709.db2.gz XOYOCGMDLRKZRW-MXASKKJJSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551238 804400712 /nfs/dbraw/zinc/40/07/12/804400712.db2.gz XOYOCGMDLRKZRW-MXASKKJJSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554549 804404873 /nfs/dbraw/zinc/40/48/73/804404873.db2.gz WIKGRMRTVKWPCJ-WMLDXEAASA-N 1 3 294.389 3.025 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246560346 804409941 /nfs/dbraw/zinc/40/99/41/804409941.db2.gz CVYDTZZUVOWLJC-NFAWXSAZSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246560346 804409945 /nfs/dbraw/zinc/40/99/45/804409945.db2.gz CVYDTZZUVOWLJC-NFAWXSAZSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246560346 804409949 /nfs/dbraw/zinc/40/99/49/804409949.db2.gz CVYDTZZUVOWLJC-NFAWXSAZSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246562905 804412015 /nfs/dbraw/zinc/41/20/15/804412015.db2.gz IGPFSFPYJXQPBL-VMGRFDJRSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246562905 804412017 /nfs/dbraw/zinc/41/20/17/804412017.db2.gz IGPFSFPYJXQPBL-VMGRFDJRSA-N 1 3 292.854 3.257 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CC[NH2+]C[C@H](C)C1 ZINC001246570450 804416773 /nfs/dbraw/zinc/41/67/73/804416773.db2.gz INXOKRBKCFUTSV-FUHWJXTLSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246581716 804426548 /nfs/dbraw/zinc/42/65/48/804426548.db2.gz AIGSTIADUPGQOD-RDJZCZTQSA-N 1 3 290.476 3.154 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246581716 804426550 /nfs/dbraw/zinc/42/65/50/804426550.db2.gz AIGSTIADUPGQOD-RDJZCZTQSA-N 1 3 290.476 3.154 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN([C@@H]2CSc3ccccc3C2)C1 ZINC001246581716 804426554 /nfs/dbraw/zinc/42/65/54/804426554.db2.gz AIGSTIADUPGQOD-RDJZCZTQSA-N 1 3 290.476 3.154 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001246595007 804435898 /nfs/dbraw/zinc/43/58/98/804435898.db2.gz XHENZTMNYQJUTD-CGTJXYLNSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001246595007 804435902 /nfs/dbraw/zinc/43/59/02/804435902.db2.gz XHENZTMNYQJUTD-CGTJXYLNSA-N 1 3 274.452 3.457 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599233 804439046 /nfs/dbraw/zinc/43/90/46/804439046.db2.gz BIJVWVZZNXAAJA-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599233 804439049 /nfs/dbraw/zinc/43/90/49/804439049.db2.gz BIJVWVZZNXAAJA-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599231 804439171 /nfs/dbraw/zinc/43/91/71/804439171.db2.gz BIJVWVZZNXAAJA-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599231 804439176 /nfs/dbraw/zinc/43/91/76/804439176.db2.gz BIJVWVZZNXAAJA-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246611609 804444473 /nfs/dbraw/zinc/44/44/73/804444473.db2.gz UTLNORJIRUKPJT-APWZRJJASA-N 1 3 286.463 3.398 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246611609 804444474 /nfs/dbraw/zinc/44/44/74/804444474.db2.gz UTLNORJIRUKPJT-APWZRJJASA-N 1 3 286.463 3.398 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@]3(CC[NH2+]3)C2)CC(C)(C)C1 ZINC001246613850 804447034 /nfs/dbraw/zinc/44/70/34/804447034.db2.gz RAXNEDXHNBOYIY-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO C1CC2(C1)C[C@@H]([N@@H+]1CCCC3(CCCC3)C1)CCN2 ZINC001246617747 804452467 /nfs/dbraw/zinc/45/24/67/804452467.db2.gz YWWCSFLYIXWIAH-HNNXBMFYSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC2(C1)C[C@@H]([N@H+]1CCCC3(CCCC3)C1)CCN2 ZINC001246617747 804452470 /nfs/dbraw/zinc/45/24/70/804452470.db2.gz YWWCSFLYIXWIAH-HNNXBMFYSA-N 1 3 262.441 3.317 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H]2NC[C@H]2C1 ZINC001246628118 804459354 /nfs/dbraw/zinc/45/93/54/804459354.db2.gz AQQFSVIIDMJXJX-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2NC[C@H]2C1 ZINC001246628118 804459359 /nfs/dbraw/zinc/45/93/59/804459359.db2.gz AQQFSVIIDMJXJX-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246628118 804459364 /nfs/dbraw/zinc/45/93/64/804459364.db2.gz AQQFSVIIDMJXJX-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC2(CNC2)C1 ZINC001246631613 804461931 /nfs/dbraw/zinc/46/19/31/804461931.db2.gz RJHYUKHSCJMXFC-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC2(CNC2)C1 ZINC001246631613 804461937 /nfs/dbraw/zinc/46/19/37/804461937.db2.gz RJHYUKHSCJMXFC-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643722 804470962 /nfs/dbraw/zinc/47/09/62/804470962.db2.gz CPQFDSYGUNMSDN-XMTFNYHQSA-N 1 3 270.420 3.007 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N1CCC2(CC[NH2+]2)CC1 ZINC001246646537 804474117 /nfs/dbraw/zinc/47/41/17/804474117.db2.gz FTFMCZBFQNHDBQ-KRWDZBQOSA-N 1 3 272.436 3.226 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246652023 804479217 /nfs/dbraw/zinc/47/92/17/804479217.db2.gz NTNCVYKDRJVUDY-UYAOXDASSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246652023 804479218 /nfs/dbraw/zinc/47/92/18/804479218.db2.gz NTNCVYKDRJVUDY-UYAOXDASSA-N 1 3 298.474 3.460 20 0 CGADHO CCC1CCC([N@@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)CC1 ZINC001246654427 804480153 /nfs/dbraw/zinc/48/01/53/804480153.db2.gz HXYZBAWDSHLWMV-YIOUJQMASA-N 1 3 290.373 3.039 20 0 CGADHO CCC1CCC([N@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)CC1 ZINC001246654427 804480155 /nfs/dbraw/zinc/48/01/55/804480155.db2.gz HXYZBAWDSHLWMV-YIOUJQMASA-N 1 3 290.373 3.039 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660612 804484191 /nfs/dbraw/zinc/48/41/91/804484191.db2.gz WBSONXITKFAQBM-QYZOEREBSA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660612 804484193 /nfs/dbraw/zinc/48/41/93/804484193.db2.gz WBSONXITKFAQBM-QYZOEREBSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246690320 804497004 /nfs/dbraw/zinc/49/70/04/804497004.db2.gz LVEGNIZFAIHCLV-ROUUACIJSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246690320 804497008 /nfs/dbraw/zinc/49/70/08/804497008.db2.gz LVEGNIZFAIHCLV-ROUUACIJSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246699172 804498985 /nfs/dbraw/zinc/49/89/85/804498985.db2.gz ZJXYWSPROOMCSX-FGTMMUONSA-N 1 3 290.426 3.031 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246699172 804498990 /nfs/dbraw/zinc/49/89/90/804498990.db2.gz ZJXYWSPROOMCSX-FGTMMUONSA-N 1 3 290.426 3.031 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246783443 804509856 /nfs/dbraw/zinc/50/98/56/804509856.db2.gz XJPAIHFFQOWWCK-HYVNUMGLSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246783443 804509863 /nfs/dbraw/zinc/50/98/63/804509863.db2.gz XJPAIHFFQOWWCK-HYVNUMGLSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246783446 804510293 /nfs/dbraw/zinc/51/02/93/804510293.db2.gz XJPAIHFFQOWWCK-UAGQMJEPSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246783446 804510300 /nfs/dbraw/zinc/51/03/00/804510300.db2.gz XJPAIHFFQOWWCK-UAGQMJEPSA-N 1 3 258.409 3.272 20 0 CGADHO c1csc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246785654 804511948 /nfs/dbraw/zinc/51/19/48/804511948.db2.gz KUAUMEFVTKXTPR-PIGZVRMJSA-N 1 3 262.422 3.168 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+](CC2CC2)C(C)C)CCN1 ZINC001246791651 804516288 /nfs/dbraw/zinc/51/62/88/804516288.db2.gz RDCIVINOXLSYNQ-JKSUJKDBSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+](CC2CC2)C(C)C)CCN1 ZINC001246791651 804516293 /nfs/dbraw/zinc/51/62/93/804516293.db2.gz RDCIVINOXLSYNQ-JKSUJKDBSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(Cc3ccccc3F)CC2)CCN1 ZINC001246824975 804536792 /nfs/dbraw/zinc/53/67/92/804536792.db2.gz RIUMUSIPYFLFNR-RHSMWYFYSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@H](N2CCC(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246824975 804536794 /nfs/dbraw/zinc/53/67/94/804536794.db2.gz RIUMUSIPYFLFNR-RHSMWYFYSA-N 1 3 290.426 3.221 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CC[N@@H+](C3CCNCC3)C2)cc1 ZINC001246828596 804538854 /nfs/dbraw/zinc/53/88/54/804538854.db2.gz CMRUHLBKUCMDHT-CYBMUJFWSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CC[N@H+](C3CCNCC3)C2)cc1 ZINC001246828596 804538860 /nfs/dbraw/zinc/53/88/60/804538860.db2.gz CMRUHLBKUCMDHT-CYBMUJFWSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CCN(C3CC[NH2+]CC3)C2)cc1 ZINC001246828596 804538865 /nfs/dbraw/zinc/53/88/65/804538865.db2.gz CMRUHLBKUCMDHT-CYBMUJFWSA-N 1 3 298.352 3.247 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1CCC[C@H]1CC[NH3+] ZINC001246844227 804551610 /nfs/dbraw/zinc/55/16/10/804551610.db2.gz HSWFOPFXELUGHQ-JSGCOSHPSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCNC3(CCCCC3)C2)C1 ZINC001246842809 804551822 /nfs/dbraw/zinc/55/18/22/804551822.db2.gz VPAUVIFKBKEIOS-OAGGEKHMSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844457 804551890 /nfs/dbraw/zinc/55/18/90/804551890.db2.gz JGNYNFUCAGHIRH-SZMVWBNQSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844457 804551893 /nfs/dbraw/zinc/55/18/93/804551893.db2.gz JGNYNFUCAGHIRH-SZMVWBNQSA-N 1 3 272.436 3.397 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2C[C@@H]3CCNC[C@H]3C2)CC1 ZINC001246845158 804553288 /nfs/dbraw/zinc/55/32/88/804553288.db2.gz KTLJESBHOCAQHR-FXQLRMTLSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2C[C@@H]3CCNC[C@H]3C2)CC1 ZINC001246845158 804553294 /nfs/dbraw/zinc/55/32/94/804553294.db2.gz KTLJESBHOCAQHR-FXQLRMTLSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2C[C@H]3CNCC[C@@H]3C2)CC1 ZINC001246845202 804554668 /nfs/dbraw/zinc/55/46/68/804554668.db2.gz KTLJESBHOCAQHR-WXLSXGNJSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2C[C@H]3CNCC[C@@H]3C2)CC1 ZINC001246845202 804554673 /nfs/dbraw/zinc/55/46/73/804554673.db2.gz KTLJESBHOCAQHR-WXLSXGNJSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H]1CC([N@@H+]2CCC[C@H](c3ccccc3)C2)C[C@H](C)N1 ZINC001246864973 804569523 /nfs/dbraw/zinc/56/95/23/804569523.db2.gz QXCSGBRPHFSCTL-ZOBUZTSGSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H]1CC([N@H+]2CCC[C@H](c3ccccc3)C2)C[C@H](C)N1 ZINC001246864973 804569527 /nfs/dbraw/zinc/56/95/27/804569527.db2.gz QXCSGBRPHFSCTL-ZOBUZTSGSA-N 1 3 272.436 3.395 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246909915 804592983 /nfs/dbraw/zinc/59/29/83/804592983.db2.gz SDSQEUDNOITEBF-WBVHZDCISA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CCN[C@H](C)C1 ZINC001246909915 804592987 /nfs/dbraw/zinc/59/29/87/804592987.db2.gz SDSQEUDNOITEBF-WBVHZDCISA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCN[C@H](C)C1 ZINC001246909915 804592991 /nfs/dbraw/zinc/59/29/91/804592991.db2.gz SDSQEUDNOITEBF-WBVHZDCISA-N 1 3 260.425 3.266 20 0 CGADHO CCCCC[C@@H](CC)[N@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929777 804605544 /nfs/dbraw/zinc/60/55/44/804605544.db2.gz QIVCYXZUFLIHJN-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCC[C@@H](CC)[N@@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929777 804605550 /nfs/dbraw/zinc/60/55/50/804605550.db2.gz QIVCYXZUFLIHJN-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCCSC1 ZINC001246937383 804609170 /nfs/dbraw/zinc/60/91/70/804609170.db2.gz LZYQEIHZVBGREL-HOCLYGCPSA-N 1 3 282.497 3.126 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCCSC1 ZINC001246937383 804609173 /nfs/dbraw/zinc/60/91/73/804609173.db2.gz LZYQEIHZVBGREL-HOCLYGCPSA-N 1 3 282.497 3.126 20 0 CGADHO CCCCCC[C@@H](CC)[N@H+](CCN(C)C)C1CCNCC1 ZINC001246982846 804627891 /nfs/dbraw/zinc/62/78/91/804627891.db2.gz CHIGYJUWXALHDS-QGZVFWFLSA-N 1 3 297.531 3.351 20 0 CGADHO CCCCCC[C@@H](CC)[N@@H+](CCN(C)C)C1CCNCC1 ZINC001246982846 804627892 /nfs/dbraw/zinc/62/78/92/804627892.db2.gz CHIGYJUWXALHDS-QGZVFWFLSA-N 1 3 297.531 3.351 20 0 CGADHO Cc1c(C[N@@H+](C)CCCN(C)C)cccc1C(F)(F)F ZINC001143916539 804906283 /nfs/dbraw/zinc/90/62/83/804906283.db2.gz BYIVRXRZWDFXET-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO Cc1c(C[N@H+](C)CCCN(C)C)cccc1C(F)(F)F ZINC001143916539 804906288 /nfs/dbraw/zinc/90/62/88/804906288.db2.gz BYIVRXRZWDFXET-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO CCC[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001257311285 807100448 /nfs/dbraw/zinc/10/04/48/807100448.db2.gz LFBZMARGMXDSBO-HNNXBMFYSA-N 1 3 275.440 3.072 20 0 CGADHO CC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001257436388 807155773 /nfs/dbraw/zinc/15/57/73/807155773.db2.gz OHIWCBMBZCBVAM-HUUCEWRRSA-N 1 3 250.430 3.195 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@H](C)Cc1cccs1 ZINC001167607999 807215223 /nfs/dbraw/zinc/21/52/23/807215223.db2.gz HGFPBMOLROZVKW-CQSZACIVSA-N 1 3 268.470 3.343 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@H](C)Cc1cccs1 ZINC001167607999 807215228 /nfs/dbraw/zinc/21/52/28/807215228.db2.gz HGFPBMOLROZVKW-CQSZACIVSA-N 1 3 268.470 3.343 20 0 CGADHO CC(C)CN1CCC([NH2+]CCCCc2ccccn2)CC1 ZINC001258003768 807262713 /nfs/dbraw/zinc/26/27/13/807262713.db2.gz SXFVLWIEIAKAQB-UHFFFAOYSA-N 1 3 289.467 3.114 20 0 CGADHO CC(C)CN1CCC([NH2+]CCCc2ccc(F)cc2)CC1 ZINC001258002896 807262844 /nfs/dbraw/zinc/26/28/44/807262844.db2.gz MLLPWTNXKBAJBD-UHFFFAOYSA-N 1 3 292.442 3.468 20 0 CGADHO Cc1ccccc1OCC[NH2+]C1CCN(CC(C)C)CC1 ZINC001258002680 807262923 /nfs/dbraw/zinc/26/29/23/807262923.db2.gz ZLJRJODTRNFJLO-UHFFFAOYSA-N 1 3 290.451 3.084 20 0 CGADHO C1[C@@H]2C[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@H]12 ZINC001167912631 807272562 /nfs/dbraw/zinc/27/25/62/807272562.db2.gz JURYSECRGKDMKM-FOLVSLTJSA-N 1 3 262.441 3.172 20 0 CGADHO C1=CC[C@@H](CN2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167924659 807274752 /nfs/dbraw/zinc/27/47/52/807274752.db2.gz SLDOQVACVJXXNS-XLMAVXFVSA-N 1 3 274.452 3.195 20 0 CGADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CCC1 ZINC001167977461 807289415 /nfs/dbraw/zinc/28/94/15/807289415.db2.gz CNRVLAVSBRHIHZ-RJCAOGMDSA-N 1 3 262.441 3.170 20 0 CGADHO C[C@H](Cc1ccco1)[N@H+](CCCN)C1CCCCC1 ZINC001258176251 807341348 /nfs/dbraw/zinc/34/13/48/807341348.db2.gz NIWRMDJRMUDSGI-CQSZACIVSA-N 1 3 264.413 3.194 20 0 CGADHO C[C@H](Cc1ccco1)[N@@H+](CCCN)C1CCCCC1 ZINC001258176251 807341357 /nfs/dbraw/zinc/34/13/57/807341357.db2.gz NIWRMDJRMUDSGI-CQSZACIVSA-N 1 3 264.413 3.194 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001258306318 807404903 /nfs/dbraw/zinc/40/49/03/807404903.db2.gz NAOPLEOSDSSQNL-CHWSQXEVSA-N 1 3 284.469 3.254 20 0 CGADHO COc1ccc(CC[C@H](C)[N@H+](CCCN)C(C)C)cc1 ZINC001258389476 807437120 /nfs/dbraw/zinc/43/71/20/807437120.db2.gz PQXPQVPEFKPHNG-HNNXBMFYSA-N 1 3 278.440 3.076 20 0 CGADHO COc1ccc(CC[C@H](C)[N@@H+](CCCN)C(C)C)cc1 ZINC001258389476 807437124 /nfs/dbraw/zinc/43/71/24/807437124.db2.gz PQXPQVPEFKPHNG-HNNXBMFYSA-N 1 3 278.440 3.076 20 0 CGADHO C[C@@H](CC1CC1)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258453076 807457906 /nfs/dbraw/zinc/45/79/06/807457906.db2.gz IFVJYFNHODPZAB-AWEZNQCLSA-N 1 3 258.409 3.125 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001169091765 807571010 /nfs/dbraw/zinc/57/10/10/807571010.db2.gz UXZRCRXJHACFIN-RTCCRHLQSA-N 1 3 270.829 3.116 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)Cc1cccc(Cl)c1 ZINC001258737853 807583864 /nfs/dbraw/zinc/58/38/64/807583864.db2.gz IGHSDSISZLVOLT-CYBMUJFWSA-N 1 3 268.832 3.332 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)Cc1cccc(Cl)c1 ZINC001258737853 807583869 /nfs/dbraw/zinc/58/38/69/807583869.db2.gz IGHSDSISZLVOLT-CYBMUJFWSA-N 1 3 268.832 3.332 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258750908 807592883 /nfs/dbraw/zinc/59/28/83/807592883.db2.gz DGAVJDWJOYHKBV-AWEZNQCLSA-N 1 3 292.854 3.299 20 0 CGADHO CC[NH+]1CCC(N2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001169258363 807616990 /nfs/dbraw/zinc/61/69/90/807616990.db2.gz JRLQAJHDLIRKPT-QGZVFWFLSA-N 1 3 288.435 3.316 20 0 CGADHO CC(C)CCC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001170088507 807753632 /nfs/dbraw/zinc/75/36/32/807753632.db2.gz UJANBYWYSFRNFC-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCCN1C ZINC001170255675 807806578 /nfs/dbraw/zinc/80/65/78/807806578.db2.gz VHEFGDRKEQZZPH-HIFRSBDPSA-N 1 3 280.843 3.345 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170974021 807949037 /nfs/dbraw/zinc/94/90/37/807949037.db2.gz VFLNMUCADFOCLW-OWCLPIDISA-N 1 3 290.426 3.145 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCc2ccccc2)CC1(C)C ZINC001171617335 808104993 /nfs/dbraw/zinc/10/49/93/808104993.db2.gz KATLOKUMYQGJQK-UHFFFAOYSA-N 1 3 274.452 3.470 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCC2CCOCC2)CC1(C)C ZINC001171613028 808105630 /nfs/dbraw/zinc/10/56/30/808105630.db2.gz DNVHLGQUWOMCOO-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[C@@H](F)C[N@@H+]1C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171632099 808109297 /nfs/dbraw/zinc/10/92/97/808109297.db2.gz VBAVARIDELLLFJ-VXGBXAGGSA-N 1 3 256.409 3.070 20 0 CGADHO C[C@@H]1C[C@@H](F)C[N@H+]1C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171632099 808109301 /nfs/dbraw/zinc/10/93/01/808109301.db2.gz VBAVARIDELLLFJ-VXGBXAGGSA-N 1 3 256.409 3.070 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC1(F)CCCCC1)C2 ZINC001172100132 808171682 /nfs/dbraw/zinc/17/16/82/808171682.db2.gz PIKFMQSIMRWEPJ-QDMKHBRRSA-N 1 3 268.420 3.264 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC1(F)CCCCC1)C2 ZINC001172100132 808171687 /nfs/dbraw/zinc/17/16/87/808171687.db2.gz PIKFMQSIMRWEPJ-QDMKHBRRSA-N 1 3 268.420 3.264 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)CCCCC1)C2 ZINC001172100132 808171689 /nfs/dbraw/zinc/17/16/89/808171689.db2.gz PIKFMQSIMRWEPJ-QDMKHBRRSA-N 1 3 268.420 3.264 20 0 CGADHO COc1cccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102821 808175114 /nfs/dbraw/zinc/17/51/14/808175114.db2.gz PDOZUUSZWOFLSB-QSPRXWTASA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102821 808175117 /nfs/dbraw/zinc/17/51/17/808175117.db2.gz PDOZUUSZWOFLSB-QSPRXWTASA-N 1 3 288.435 3.361 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001172117814 808181107 /nfs/dbraw/zinc/18/11/07/808181107.db2.gz NHNNSICFBWAKFA-QDMKHBRRSA-N 1 3 288.410 3.420 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CCC(N(C)C3CC3)CC2)C[C@@H]1C ZINC001172375595 808269920 /nfs/dbraw/zinc/26/99/20/808269920.db2.gz DHOYMJMBWYOWTJ-KEYYUXOJSA-N 1 3 264.457 3.370 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)ccc1O ZINC001275306145 808928643 /nfs/dbraw/zinc/92/86/43/808928643.db2.gz BFJOPANXGVFTSY-SFHVURJKSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)ccc1O ZINC001275306145 808928651 /nfs/dbraw/zinc/92/86/51/808928651.db2.gz BFJOPANXGVFTSY-SFHVURJKSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1c(F)cccc1CN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276170209 808990772 /nfs/dbraw/zinc/99/07/72/808990772.db2.gz SYODEFWAEDEJQI-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1c(F)cccc1CN1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276170209 808990780 /nfs/dbraw/zinc/99/07/80/808990780.db2.gz SYODEFWAEDEJQI-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO CN(C)c1ccccc1CNCc1cccc(C[NH+](C)C)c1 ZINC001199218179 811563951 /nfs/dbraw/zinc/56/39/51/811563951.db2.gz DAPIHLPYKJDQJP-UHFFFAOYSA-N 1 3 297.446 3.104 20 0 CGADHO Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)CN(C)C)c(C)c1 ZINC001202588024 812128435 /nfs/dbraw/zinc/12/84/35/812128435.db2.gz YQOBWFZARLJSBU-LZNQSLFOSA-N 1 3 274.452 3.412 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC1CCOCC1 ZINC001202663999 812149628 /nfs/dbraw/zinc/14/96/28/812149628.db2.gz GHHAMKFDPYISMY-ZWKOTPCHSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC1CCOCC1 ZINC001202663999 812149636 /nfs/dbraw/zinc/14/96/36/812149636.db2.gz GHHAMKFDPYISMY-ZWKOTPCHSA-N 1 3 294.483 3.142 20 0 CGADHO CCCCN1CCC([N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC001203957739 812501712 /nfs/dbraw/zinc/50/17/12/812501712.db2.gz BQLAPJPIVFIXHG-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CCCCN1CCC([N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC001203957739 812501717 /nfs/dbraw/zinc/50/17/17/812501717.db2.gz BQLAPJPIVFIXHG-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204169213 812562790 /nfs/dbraw/zinc/56/27/90/812562790.db2.gz LAQQSFAGBIKIHE-HDICACEKSA-N 1 3 272.436 3.194 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3)C[C@@H]2C1 ZINC001204169213 812562794 /nfs/dbraw/zinc/56/27/94/812562794.db2.gz LAQQSFAGBIKIHE-HDICACEKSA-N 1 3 272.436 3.194 20 0 CGADHO CC(C)Oc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001204458209 812646753 /nfs/dbraw/zinc/64/67/53/812646753.db2.gz WTTSKZCTPNVGMN-UHFFFAOYSA-N 1 3 288.435 3.001 20 0 CGADHO Cc1ccc(C(F)(F)F)c(CN2CCC(C[NH3+])CC2)c1 ZINC001205046629 812838521 /nfs/dbraw/zinc/83/85/21/812838521.db2.gz GHEUHXZIIVJVDN-UHFFFAOYSA-N 1 3 286.341 3.185 20 0 CGADHO CCCCc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205116749 812872506 /nfs/dbraw/zinc/87/25/06/812872506.db2.gz HSPFGAROABHTLL-KRWDZBQOSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@H]([NH3+])CC1 ZINC001205123908 812875641 /nfs/dbraw/zinc/87/56/41/812875641.db2.gz GYSIANJVHLUJOF-INIZCTEOSA-N 1 3 276.424 3.095 20 0 CGADHO C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)Cc2ccccc21 ZINC001205164293 812893207 /nfs/dbraw/zinc/89/32/07/812893207.db2.gz BZEQJHFORGSMPZ-CQSZACIVSA-N 1 3 278.399 3.409 20 0 CGADHO c1cc2n(c1C[N@@H+]1CCCC[C@@H]1c1ccccc1)CCNC2 ZINC001205171731 812897171 /nfs/dbraw/zinc/89/71/71/812897171.db2.gz WKCXSBOEIDJJFR-LJQANCHMSA-N 1 3 295.430 3.319 20 0 CGADHO c1cc2n(c1C[N@H+]1CCCC[C@@H]1c1ccccc1)CCNC2 ZINC001205171731 812897176 /nfs/dbraw/zinc/89/71/76/812897176.db2.gz WKCXSBOEIDJJFR-LJQANCHMSA-N 1 3 295.430 3.319 20 0 CGADHO C[C@@H]1CCN(Cc2nc3ccccc3s2)CC[C@H]1C[NH3+] ZINC001205615767 813025926 /nfs/dbraw/zinc/02/59/26/813025926.db2.gz AVROOVPSMKYBMQ-OLZOCXBDSA-N 1 3 289.448 3.103 20 0 CGADHO CC(C)(CCN1CCC(F)(F)[C@H](C[NH3+])C1)c1ccccc1 ZINC001205735928 813063415 /nfs/dbraw/zinc/06/34/15/813063415.db2.gz RYCIDTHKFZWISF-OAHLLOKOSA-N 1 3 296.405 3.270 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001205901152 813122810 /nfs/dbraw/zinc/12/28/10/813122810.db2.gz BIEZPIBJLPBJJG-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001205901152 813122817 /nfs/dbraw/zinc/12/28/17/813122817.db2.gz BIEZPIBJLPBJJG-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205901152 813122821 /nfs/dbraw/zinc/12/28/21/813122821.db2.gz BIEZPIBJLPBJJG-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCCCCc1ccccc1 ZINC001205903068 813124032 /nfs/dbraw/zinc/12/40/32/813124032.db2.gz NLUAEZCBTRSHPB-WMZOPIPTSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903068 813124037 /nfs/dbraw/zinc/12/40/37/813124037.db2.gz NLUAEZCBTRSHPB-WMZOPIPTSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCCC1CCCCC1 ZINC001205904741 813128293 /nfs/dbraw/zinc/12/82/93/813128293.db2.gz XCBYCVYGUIFEIL-GOEBONIOSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCCC1CCCCC1 ZINC001205904741 813128295 /nfs/dbraw/zinc/12/82/95/813128295.db2.gz XCBYCVYGUIFEIL-GOEBONIOSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(F)c2ccoc21 ZINC001205914082 813130848 /nfs/dbraw/zinc/13/08/48/813130848.db2.gz KXESHPSYLZDMNG-NWDGAFQWSA-N 1 3 276.355 3.131 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CNC3)C[C@H]1C ZINC001206109545 813201401 /nfs/dbraw/zinc/20/14/01/813201401.db2.gz BIZLAXSGRMSNSX-UONOGXRCSA-N 1 3 258.409 3.158 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CNC3)C[C@H]1C ZINC001206109545 813201405 /nfs/dbraw/zinc/20/14/05/813201405.db2.gz BIZLAXSGRMSNSX-UONOGXRCSA-N 1 3 258.409 3.158 20 0 CGADHO C[C@H]1C[N@@H+](Cc2cc3c(s2)CNCC3)CCC[C@@H]1C ZINC001206109550 813202115 /nfs/dbraw/zinc/20/21/15/813202115.db2.gz BJEPEELRKDCKLM-STQMWFEESA-N 1 3 278.465 3.262 20 0 CGADHO C[C@H]1C[N@H+](Cc2cc3c(s2)CNCC3)CCC[C@@H]1C ZINC001206109550 813202122 /nfs/dbraw/zinc/20/21/22/813202122.db2.gz BJEPEELRKDCKLM-STQMWFEESA-N 1 3 278.465 3.262 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1F ZINC001206184282 813230496 /nfs/dbraw/zinc/23/04/96/813230496.db2.gz IDVLZCIKNQVVRO-HZPDHXFCSA-N 1 3 288.366 3.208 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1F ZINC001206184282 813230502 /nfs/dbraw/zinc/23/05/02/813230502.db2.gz IDVLZCIKNQVVRO-HZPDHXFCSA-N 1 3 288.366 3.208 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206188935 813233657 /nfs/dbraw/zinc/23/36/57/813233657.db2.gz WIVAJNKABCKDEF-HZPDHXFCSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206188935 813233663 /nfs/dbraw/zinc/23/36/63/813233663.db2.gz WIVAJNKABCKDEF-HZPDHXFCSA-N 1 3 294.414 3.043 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)CC[C@H]1F ZINC001206188925 813234062 /nfs/dbraw/zinc/23/40/62/813234062.db2.gz WGJLOQXGKNUNFB-IAGOWNOFSA-N 1 3 299.393 3.010 20 0 CGADHO C[C@H]1CNCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206257949 813260189 /nfs/dbraw/zinc/26/01/89/813260189.db2.gz NWPHWCVKAGKQFO-NOLJZWGESA-N 1 3 278.827 3.127 20 0 CGADHO C[C@H]1CNCCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206257949 813260194 /nfs/dbraw/zinc/26/01/94/813260194.db2.gz NWPHWCVKAGKQFO-NOLJZWGESA-N 1 3 278.827 3.127 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cccc(F)c2Cl)CC1 ZINC001206311403 813284309 /nfs/dbraw/zinc/28/43/09/813284309.db2.gz NVDAHNUQNYONMU-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccsc2Cl)CC1 ZINC001206317037 813287336 /nfs/dbraw/zinc/28/73/36/813287336.db2.gz BHOBYZYZNAFQFU-ZDUSSCGKSA-N 1 3 272.845 3.352 20 0 CGADHO Cc1cc(F)c(CN2CCC[C@@](C)(C[NH3+])CC2)c(F)c1 ZINC001206327787 813291219 /nfs/dbraw/zinc/29/12/19/813291219.db2.gz XTDISMWOXAXXNV-MRXNPFEDSA-N 1 3 282.378 3.224 20 0 CGADHO COc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1C(C)C ZINC001206622822 813377546 /nfs/dbraw/zinc/37/75/46/813377546.db2.gz HELHIGBTQTWXKH-INIZCTEOSA-N 1 3 290.451 3.379 20 0 CGADHO CCOc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1CC ZINC001206622480 813377717 /nfs/dbraw/zinc/37/77/17/813377717.db2.gz CPXMULRBVYUROM-INIZCTEOSA-N 1 3 290.451 3.209 20 0 CGADHO CC(C)(C)Oc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206632893 813380733 /nfs/dbraw/zinc/38/07/33/813380733.db2.gz QHLKTTCFEYPTGX-MRXNPFEDSA-N 1 3 290.451 3.425 20 0 CGADHO CCc1cccc(C)c1C[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206639957 813383538 /nfs/dbraw/zinc/38/35/38/813383538.db2.gz HHHKOZOHCMZTFF-HNNXBMFYSA-N 1 3 260.425 3.118 20 0 CGADHO CCc1cccc(C)c1C[N@H+]1CCCC[C@@H](CN)C1 ZINC001206639957 813383547 /nfs/dbraw/zinc/38/35/47/813383547.db2.gz HHHKOZOHCMZTFF-HNNXBMFYSA-N 1 3 260.425 3.118 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@@H](CN)CC[C@H]2C)C1(C)C ZINC001206760731 813425847 /nfs/dbraw/zinc/42/58/47/813425847.db2.gz KURIEGGGKLXBKW-BZUAXINKSA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@@H](CN)CC[C@H]2C)C1(C)C ZINC001206760731 813425854 /nfs/dbraw/zinc/42/58/54/813425854.db2.gz KURIEGGGKLXBKW-BZUAXINKSA-N 1 3 264.457 3.428 20 0 CGADHO CC[N@H+]1C[C@H]2CN(CCCc3ccc(Cl)cc3)C[C@H]2C1 ZINC001207597855 813606644 /nfs/dbraw/zinc/60/66/44/813606644.db2.gz STRWRTNNBCLPRE-IYBDPMFKSA-N 1 3 292.854 3.156 20 0 CGADHO CC[N@@H+]1C[C@H]2CN(CCCc3ccc(Cl)cc3)C[C@H]2C1 ZINC001207597855 813606648 /nfs/dbraw/zinc/60/66/48/813606648.db2.gz STRWRTNNBCLPRE-IYBDPMFKSA-N 1 3 292.854 3.156 20 0 CGADHO c1ccc(CCCCN2CCC([NH+]3CCC3)CC2)cc1 ZINC001207614882 813615502 /nfs/dbraw/zinc/61/55/02/813615502.db2.gz IKZYACWDYNQVQA-UHFFFAOYSA-N 1 3 272.436 3.179 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001207622555 813619310 /nfs/dbraw/zinc/61/93/10/813619310.db2.gz NCOZFTFMXCHTIM-CYGHRXIMSA-N 1 3 289.467 3.489 20 0 CGADHO CCC1(C)CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001207835347 813656558 /nfs/dbraw/zinc/65/65/58/813656558.db2.gz BEVATHDADMYHBI-SFOJROILSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001207837385 813658626 /nfs/dbraw/zinc/65/86/26/813658626.db2.gz PLSBYZWGOMDHNU-BSWAZPDLSA-N 1 3 264.457 3.275 20 0 CGADHO CCCC[NH+]1CCC(N(C)CC[C@H](C)SC)CC1 ZINC001208151791 813710919 /nfs/dbraw/zinc/71/09/19/813710919.db2.gz YIDCWCWBYQXLFR-AWEZNQCLSA-N 1 3 272.502 3.324 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606948 813773243 /nfs/dbraw/zinc/77/32/43/813773243.db2.gz JNLAGBAQLQUTEA-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606948 813773246 /nfs/dbraw/zinc/77/32/46/813773246.db2.gz JNLAGBAQLQUTEA-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606947 813774035 /nfs/dbraw/zinc/77/40/35/813774035.db2.gz JNLAGBAQLQUTEA-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001208606947 813774038 /nfs/dbraw/zinc/77/40/38/813774038.db2.gz JNLAGBAQLQUTEA-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO CC[N@@H+]1CCO[C@@H]2CN(CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659856 813783827 /nfs/dbraw/zinc/78/38/27/813783827.db2.gz LIGKKPJMEUZNFG-YESZJQIVSA-N 1 3 296.499 3.101 20 0 CGADHO CC[N@H+]1CCO[C@@H]2CN(CC[C@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659856 813783831 /nfs/dbraw/zinc/78/38/31/813783831.db2.gz LIGKKPJMEUZNFG-YESZJQIVSA-N 1 3 296.499 3.101 20 0 CGADHO CC1([NH+]2CCCC2)CCN(CC2Cc3ccccc3C2)CC1 ZINC001209322623 813998238 /nfs/dbraw/zinc/99/82/38/813998238.db2.gz GBQPRPSDVCROKA-UHFFFAOYSA-N 1 3 298.474 3.352 20 0 CGADHO C[C@H]1CC(CN2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC001209405304 814015453 /nfs/dbraw/zinc/01/54/53/814015453.db2.gz XBYDDWXETMQUKZ-HOTGVXAUSA-N 1 3 294.483 3.140 20 0 CGADHO Nc1ccnc2cc(-c3ccc4c(c3)C[NH2+]C4)ccc12 ZINC001242676688 823096203 /nfs/dbraw/zinc/09/62/03/823096203.db2.gz QSXFSTIUPNAFHB-UHFFFAOYSA-N 1 3 261.328 3.087 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c[nH]c3c2cccc3C)CC1 ZINC001209491427 814059148 /nfs/dbraw/zinc/05/91/48/814059148.db2.gz VAPSPHWQGOINCV-UHFFFAOYSA-N 1 3 285.435 3.392 20 0 CGADHO Clc1cccc(CCCN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222140945 816357699 /nfs/dbraw/zinc/35/76/99/816357699.db2.gz AHRWLCDPGSUSNT-KRWDZBQOSA-N 1 3 292.854 3.348 20 0 CGADHO Cc1cc(F)ccc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314243 816406025 /nfs/dbraw/zinc/40/60/25/816406025.db2.gz DHFIVEVNDBYMSM-QGZVFWFLSA-N 1 3 276.399 3.242 20 0 CGADHO Cn1c(CN2CCC[C@]23CCC[NH2+]CC3)cc2ccccc21 ZINC001222314522 816406189 /nfs/dbraw/zinc/40/61/89/816406189.db2.gz HBOUKSZBKJHGCV-IBGZPJMESA-N 1 3 297.446 3.286 20 0 CGADHO CC(C)(C)Oc1cccc(CN2CCC(F)(C[NH3+])CC2)c1 ZINC001222548321 816464834 /nfs/dbraw/zinc/46/48/34/816464834.db2.gz GBLMLYSYOZRBMI-UHFFFAOYSA-N 1 3 294.414 3.127 20 0 CGADHO Cc1cccc(CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222595671 816474803 /nfs/dbraw/zinc/47/48/03/816474803.db2.gz GLFWTSLJHPPGOK-IBGZPJMESA-N 1 3 292.426 3.184 20 0 CGADHO Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222595671 816474807 /nfs/dbraw/zinc/47/48/07/816474807.db2.gz GLFWTSLJHPPGOK-IBGZPJMESA-N 1 3 292.426 3.184 20 0 CGADHO Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222595671 816474814 /nfs/dbraw/zinc/47/48/14/816474814.db2.gz GLFWTSLJHPPGOK-IBGZPJMESA-N 1 3 292.426 3.184 20 0 CGADHO C[NH2+]Cc1cccc(-c2ccc(OC)c(CN(C)C)c2)c1 ZINC001242995667 823203523 /nfs/dbraw/zinc/20/35/23/823203523.db2.gz IMMYVUWKDFOPBL-UHFFFAOYSA-N 1 3 284.403 3.143 20 0 CGADHO c1c2cnccc2[nH]c1C[N@@H+]1CCC12CCCCC2 ZINC001232012625 818232398 /nfs/dbraw/zinc/23/23/98/818232398.db2.gz LJVQXICYAILVPW-UHFFFAOYSA-N 1 3 255.365 3.472 20 0 CGADHO c1c2cnccc2[nH]c1C[N@H+]1CCC12CCCCC2 ZINC001232012625 818232403 /nfs/dbraw/zinc/23/24/03/818232403.db2.gz LJVQXICYAILVPW-UHFFFAOYSA-N 1 3 255.365 3.472 20 0 CGADHO C(CC1CCCCC1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994936 818972799 /nfs/dbraw/zinc/97/27/99/818972799.db2.gz UOFFAYACFSQUKH-QGZVFWFLSA-N 1 3 264.457 3.422 20 0 CGADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCCC23CCNCC3)CC1 ZINC001235140798 819016040 /nfs/dbraw/zinc/01/60/40/819016040.db2.gz NWKMUBQJWATQHV-HZPDHXFCSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2CCCC23CCNCC3)CC1 ZINC001235140798 819016046 /nfs/dbraw/zinc/01/60/46/819016046.db2.gz NWKMUBQJWATQHV-HZPDHXFCSA-N 1 3 262.441 3.197 20 0 CGADHO CCc1cccc(C[N@@H+]2CCCCC23CCNCC3)c1 ZINC001235189638 819029325 /nfs/dbraw/zinc/02/93/25/819029325.db2.gz OUCRORGFWZJVMC-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO CCc1cccc(C[N@H+]2CCCCC23CCNCC3)c1 ZINC001235189638 819029331 /nfs/dbraw/zinc/02/93/31/819029331.db2.gz OUCRORGFWZJVMC-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO CCc1cccc(CN2CCCCC23CC[NH2+]CC3)c1 ZINC001235189638 819029336 /nfs/dbraw/zinc/02/93/36/819029336.db2.gz OUCRORGFWZJVMC-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO Cc1cccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235229928 819041409 /nfs/dbraw/zinc/04/14/09/819041409.db2.gz MRYMXEPWEYKOAD-QGZVFWFLSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cnc1C ZINC001235237314 819043486 /nfs/dbraw/zinc/04/34/86/819043486.db2.gz ADUJUZSBRXEBSY-SFHVURJKSA-N 1 3 287.451 3.053 20 0 CGADHO CC1=CC[C@@H](CCN2C[C@H]3CCC[C@@]3([NH3+])C2)C1(C)C ZINC001235240011 819044500 /nfs/dbraw/zinc/04/45/00/819044500.db2.gz ISNKQWFNGUPSBD-ZMSDIMECSA-N 1 3 262.441 3.182 20 0 CGADHO CC(C)=CCCC1=CC[C@@H](C[N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001235283442 819060728 /nfs/dbraw/zinc/06/07/28/819060728.db2.gz OLUIYJKCVDHIDJ-ZJPYXAASSA-N 1 3 274.452 3.348 20 0 CGADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001235283442 819060734 /nfs/dbraw/zinc/06/07/34/819060734.db2.gz OLUIYJKCVDHIDJ-ZJPYXAASSA-N 1 3 274.452 3.348 20 0 CGADHO CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360803 819078636 /nfs/dbraw/zinc/07/86/36/819078636.db2.gz BYMNXEWGIZOIJV-RBUKOAKNSA-N 1 3 286.463 3.430 20 0 CGADHO CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360803 819078640 /nfs/dbraw/zinc/07/86/40/819078640.db2.gz BYMNXEWGIZOIJV-RBUKOAKNSA-N 1 3 286.463 3.430 20 0 CGADHO Cc1cc(F)cc(CN(C)CC2CC[NH2+]CC2)c1Cl ZINC001235433357 819095892 /nfs/dbraw/zinc/09/58/92/819095892.db2.gz URCZKQQFGMWKGB-UHFFFAOYSA-N 1 3 284.806 3.219 20 0 CGADHO Cc1ccccc1CN(C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235663560 819132316 /nfs/dbraw/zinc/13/23/16/819132316.db2.gz VXMHGIQTQQHRAH-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@@H](CN)C1 ZINC001235674292 819135802 /nfs/dbraw/zinc/13/58/02/819135802.db2.gz REDIOLJZXBLNCP-CVEARBPZSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CCC[C@@H](CN)C1 ZINC001235674292 819135804 /nfs/dbraw/zinc/13/58/04/819135804.db2.gz REDIOLJZXBLNCP-CVEARBPZSA-N 1 3 252.446 3.430 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc(Cl)ccc2C)CC1 ZINC001235679802 819138132 /nfs/dbraw/zinc/13/81/32/819138132.db2.gz NZNVFKDSKPQKQR-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO CCN(Cc1ccc(CC(C)C)cc1)C1CC[NH2+]CC1 ZINC001235762428 819164122 /nfs/dbraw/zinc/16/41/22/819164122.db2.gz UFWYQQSMOKVNPS-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CC[N@H+](Cc1ccc(CC(C)C)cc1)C1CCNCC1 ZINC001235762428 819164125 /nfs/dbraw/zinc/16/41/25/819164125.db2.gz UFWYQQSMOKVNPS-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CC[N@@H+](Cc1ccc(CC(C)C)cc1)C1CCNCC1 ZINC001235762428 819164130 /nfs/dbraw/zinc/16/41/30/819164130.db2.gz UFWYQQSMOKVNPS-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CC(C)=CCC[C@H](C)CCN(C)C[C@H]1CC[NH2+]C1 ZINC001235841403 819183703 /nfs/dbraw/zinc/18/37/03/819183703.db2.gz FIJZAZJSZYUHEK-HOTGVXAUSA-N 1 3 252.446 3.300 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890382 819198945 /nfs/dbraw/zinc/19/89/45/819198945.db2.gz DXPYGZTYTJPBHW-CZUORRHYSA-N 1 3 254.377 3.103 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890382 819198949 /nfs/dbraw/zinc/19/89/49/819198949.db2.gz DXPYGZTYTJPBHW-CZUORRHYSA-N 1 3 254.377 3.103 20 0 CGADHO CCCCc1ccc(CN2CCC[C@H]2CC[NH3+])s1 ZINC001235925239 819225182 /nfs/dbraw/zinc/22/51/82/819225182.db2.gz MGEJZCCYMYHVOG-ZDUSSCGKSA-N 1 3 266.454 3.404 20 0 CGADHO Fc1cccc2c(CN3C[C@H]4CC[NH2+]C[C@H]4C3)cccc12 ZINC001235938615 819231912 /nfs/dbraw/zinc/23/19/12/819231912.db2.gz LOHLDMRDCINLPD-HIFRSBDPSA-N 1 3 284.378 3.020 20 0 CGADHO CN(CCCc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235950793 819241261 /nfs/dbraw/zinc/24/12/61/819241261.db2.gz NAGBPHBJWIQNAT-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@H+](CCCc1ccc(Cl)cc1)C[C@H]1CCCNC1 ZINC001235950793 819241264 /nfs/dbraw/zinc/24/12/64/819241264.db2.gz NAGBPHBJWIQNAT-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@@H+](CCCc1ccc(Cl)cc1)C[C@H]1CCCNC1 ZINC001235950793 819241270 /nfs/dbraw/zinc/24/12/70/819241270.db2.gz NAGBPHBJWIQNAT-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO Cc1c2ccccc2sc1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958896 819247819 /nfs/dbraw/zinc/24/78/19/819247819.db2.gz LQFXOWZIZKHYDK-FVCICTRLSA-N 1 3 286.444 3.379 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235981662 819257840 /nfs/dbraw/zinc/25/78/40/819257840.db2.gz XDNLBMSVAANFFI-AYOQOUSVSA-N 1 3 286.463 3.412 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235981661 819258341 /nfs/dbraw/zinc/25/83/41/819258341.db2.gz XDNLBMSVAANFFI-ATZDWAIDSA-N 1 3 286.463 3.412 20 0 CGADHO c1cc2ccc(CN3CC4(C3)CCC[NH2+]CC4)cc2s1 ZINC001236010197 819273620 /nfs/dbraw/zinc/27/36/20/819273620.db2.gz SGDIFFYPCUJHAH-UHFFFAOYSA-N 1 3 286.444 3.477 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1CCCN[C@@H](C)C1 ZINC001236095231 819313723 /nfs/dbraw/zinc/31/37/23/819313723.db2.gz PAZISXOFLWGLAG-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1CCCN[C@@H](C)C1 ZINC001236095231 819313729 /nfs/dbraw/zinc/31/37/29/819313729.db2.gz PAZISXOFLWGLAG-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@@H]1N ZINC001236212383 819374052 /nfs/dbraw/zinc/37/40/52/819374052.db2.gz KPVSTWKVDBAKBY-GOEBONIOSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@@H]1N ZINC001236212383 819374055 /nfs/dbraw/zinc/37/40/55/819374055.db2.gz KPVSTWKVDBAKBY-GOEBONIOSA-N 1 3 275.371 3.009 20 0 CGADHO CCc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236213706 819375282 /nfs/dbraw/zinc/37/52/82/819375282.db2.gz BCYYJYBFTDIXQA-SJORKVTESA-N 1 3 285.435 3.432 20 0 CGADHO CCc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236213706 819375285 /nfs/dbraw/zinc/37/52/85/819375285.db2.gz BCYYJYBFTDIXQA-SJORKVTESA-N 1 3 285.435 3.432 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)c(C)c1 ZINC001236216863 819381667 /nfs/dbraw/zinc/38/16/67/819381667.db2.gz LMCLKAYXMGXOJL-DLBZAZTESA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)c(C)c1 ZINC001236216863 819381671 /nfs/dbraw/zinc/38/16/71/819381671.db2.gz LMCLKAYXMGXOJL-DLBZAZTESA-N 1 3 276.424 3.014 20 0 CGADHO C[N@H+](Cc1cccc2sccc21)C1(C)CCNCC1 ZINC001236226993 819390595 /nfs/dbraw/zinc/39/05/95/819390595.db2.gz WHNONVOAQGYEJS-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@@H+](Cc1cccc2sccc21)C1(C)CCNCC1 ZINC001236226993 819390599 /nfs/dbraw/zinc/39/05/99/819390599.db2.gz WHNONVOAQGYEJS-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO Cc1cc(C)c(C[N@@H+](C)C2(C)CCNCC2)cc1C ZINC001236226084 819391282 /nfs/dbraw/zinc/39/12/82/819391282.db2.gz HMQOAICMSQZCLR-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO Cc1cc(C)c(C[N@H+](C)C2(C)CCNCC2)cc1C ZINC001236226084 819391290 /nfs/dbraw/zinc/39/12/90/819391290.db2.gz HMQOAICMSQZCLR-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO Cc1cc(C)c(CN(C)C2(C)CC[NH2+]CC2)cc1C ZINC001236226084 819391297 /nfs/dbraw/zinc/39/12/97/819391297.db2.gz HMQOAICMSQZCLR-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO CC[NH+](CC)Cc1ccc(F)c(-c2cnccc2N)c1 ZINC001236326121 819426754 /nfs/dbraw/zinc/42/67/54/819426754.db2.gz SJZQNCBZMMJULO-UHFFFAOYSA-N 1 3 273.355 3.142 20 0 CGADHO CCOC(C)(C)C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373495 819442902 /nfs/dbraw/zinc/44/29/02/819442902.db2.gz XSCNAISHHPILMO-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO CCOC(C)(C)C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373495 819442904 /nfs/dbraw/zinc/44/29/04/819442904.db2.gz XSCNAISHHPILMO-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001236409215 819456405 /nfs/dbraw/zinc/45/64/05/819456405.db2.gz ZBROZQPPMHVHTO-QGZVFWFLSA-N 1 3 286.463 3.430 20 0 CGADHO COc1ccc(-c2cccc(C[NH+](C)C)c2)cc1CN(C)C ZINC001236425515 819472763 /nfs/dbraw/zinc/47/27/63/819472763.db2.gz QGPLCYCZRGBDDG-UHFFFAOYSA-N 1 3 298.430 3.485 20 0 CGADHO CCCCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236510257 819507834 /nfs/dbraw/zinc/50/78/34/819507834.db2.gz ZILVQTNDNYJDGD-UHFFFAOYSA-N 1 3 278.415 3.488 20 0 CGADHO CCCN(Cc1ccc(C)c(OCC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843282 819618330 /nfs/dbraw/zinc/61/83/30/819618330.db2.gz MTMAXEFPCJCAFR-QGZVFWFLSA-N 1 3 290.451 3.215 20 0 CGADHO CN(C)C1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC001237187384 819693339 /nfs/dbraw/zinc/69/33/39/819693339.db2.gz OHJIAKBGFAXHMI-UHFFFAOYSA-N 1 3 268.404 3.317 20 0 CGADHO CN1CCCC[C@H]1c1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238941394 820162577 /nfs/dbraw/zinc/16/25/77/820162577.db2.gz ZCNAXBJXYWPECQ-KRWDZBQOSA-N 1 3 271.408 3.005 20 0 CGADHO Fc1cc(C2=CC[NH2+]CC2)ccc1CN1CCCCC1 ZINC001240470153 821078134 /nfs/dbraw/zinc/07/81/34/821078134.db2.gz BRIBVBDSTUIMQI-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO CC[N@H+]1CC=C(c2cnc(C3=CCCN(C)C3)c(C)c2)CC1 ZINC001241567366 821952858 /nfs/dbraw/zinc/95/28/58/821952858.db2.gz YKGDCQHRRIJBJN-UHFFFAOYSA-N 1 3 297.446 3.218 20 0 CGADHO CC[N@@H+]1CC=C(c2cnc(C3=CCCN(C)C3)c(C)c2)CC1 ZINC001241567366 821952863 /nfs/dbraw/zinc/95/28/63/821952863.db2.gz YKGDCQHRRIJBJN-UHFFFAOYSA-N 1 3 297.446 3.218 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@H]2C1 ZINC001308554610 928531023 /nfs/dbraw/zinc/53/10/23/928531023.db2.gz QBYFWOIVAOUASE-JYJNAYRXSA-N 1 3 264.457 3.133 20 0 CGADHO CN(CCC[NH+]1CCCC1)CCC1=CCCCC1 ZINC001460016096 937511285 /nfs/dbraw/zinc/51/12/85/937511285.db2.gz JYKRDJBNFPZDLJ-UHFFFAOYSA-N 1 3 250.430 3.295 20 0 CGADHO COc1ccc2cc(C[NH2+]CC[C@@H](C)N(C)C)ccc2c1 ZINC001461664451 937591183 /nfs/dbraw/zinc/59/11/83/937591183.db2.gz RFDXIEWFJHDNTL-CQSZACIVSA-N 1 3 286.419 3.278 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C[C@H]1C ZINC001461773003 937596639 /nfs/dbraw/zinc/59/66/39/937596639.db2.gz AHWBRUQDIVMUTP-LMSBXDPUSA-N 1 3 289.467 3.489 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@H]2C1 ZINC001461828071 937599882 /nfs/dbraw/zinc/59/98/82/937599882.db2.gz HYSFUMQXSAGTNR-QEJZJMRPSA-N 1 3 292.492 3.475 20 0 CGADHO CCN(CC)CCC[N@H+](CC)CCCC(F)(F)F ZINC001462198916 937624865 /nfs/dbraw/zinc/62/48/65/937624865.db2.gz NPCJSRIYIAFVRF-UHFFFAOYSA-N 1 3 268.367 3.383 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)CCCC(F)(F)F ZINC001462198916 937624867 /nfs/dbraw/zinc/62/48/67/937624867.db2.gz NPCJSRIYIAFVRF-UHFFFAOYSA-N 1 3 268.367 3.383 20 0 CGADHO Cc1ccccc1CCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307977893 933029100 /nfs/dbraw/zinc/02/91/00/933029100.db2.gz HLJXUCFXKMLUQM-OALUTQOASA-N 1 3 286.463 3.201 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001308091171 933046468 /nfs/dbraw/zinc/04/64/68/933046468.db2.gz YBMHQUXTVYCPLY-IXDOHACOSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001308091171 933046471 /nfs/dbraw/zinc/04/64/71/933046471.db2.gz YBMHQUXTVYCPLY-IXDOHACOSA-N 1 3 287.451 3.418 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC001319199294 933840685 /nfs/dbraw/zinc/84/06/85/933840685.db2.gz VIOKNQORHXIHNJ-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC001319911565 933956697 /nfs/dbraw/zinc/95/66/97/933956697.db2.gz MDNNHQIDMGATQG-KBPBESRZSA-N 1 3 294.414 3.217 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC001322632143 934323235 /nfs/dbraw/zinc/32/32/35/934323235.db2.gz DRMCMXJRXZMZHD-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001323960252 934443199 /nfs/dbraw/zinc/44/31/99/934443199.db2.gz OVRJFHUXHFXDBC-UONOGXRCSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001323960252 934443201 /nfs/dbraw/zinc/44/32/01/934443201.db2.gz OVRJFHUXHFXDBC-UONOGXRCSA-N 1 3 281.403 3.002 20 0 CGADHO Fc1ccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327513095 935064495 /nfs/dbraw/zinc/06/44/95/935064495.db2.gz SXOSQSNVKAQJMX-SUMWQHHRSA-N 1 3 276.399 3.256 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329499024 935221199 /nfs/dbraw/zinc/22/11/99/935221199.db2.gz MBRNBYGMOLCPTH-CYBMUJFWSA-N 1 3 294.389 3.491 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC001330355127 935286937 /nfs/dbraw/zinc/28/69/37/935286937.db2.gz YVLXUSPBHHFPOR-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO c1ccc([C@@H]2CSCCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC001333159933 935515317 /nfs/dbraw/zinc/51/53/17/935515317.db2.gz BGNKIZLYNPPIKD-RDJZCZTQSA-N 1 3 290.476 3.166 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2sccc2C)C1 ZINC001333419747 935534978 /nfs/dbraw/zinc/53/49/78/935534978.db2.gz AXVDKBUFQFLBIW-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2sccc2C)C1 ZINC001333419747 935534982 /nfs/dbraw/zinc/53/49/82/935534982.db2.gz AXVDKBUFQFLBIW-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC001474320781 937851287 /nfs/dbraw/zinc/85/12/87/937851287.db2.gz QFLVZTNLPZYEJR-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC001474320781 937851289 /nfs/dbraw/zinc/85/12/89/937851289.db2.gz QFLVZTNLPZYEJR-OALUTQOASA-N 1 3 286.463 3.262 20 0 CGADHO C[C@H](C[N@H+](C)CCCN1CCCC1)c1cc(F)cc(F)c1 ZINC001474478166 937862391 /nfs/dbraw/zinc/86/23/91/937862391.db2.gz ZXQXBCLLYYTKGG-CQSZACIVSA-N 1 3 296.405 3.486 20 0 CGADHO C[C@H](C[N@@H+](C)CCCN1CCCC1)c1cc(F)cc(F)c1 ZINC001474478166 937862393 /nfs/dbraw/zinc/86/23/93/937862393.db2.gz ZXQXBCLLYYTKGG-CQSZACIVSA-N 1 3 296.405 3.486 20 0 CGADHO CC1(C)[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC001549711031 938158954 /nfs/dbraw/zinc/15/89/54/938158954.db2.gz DCODPYQSORMPEL-OZSLIKBDSA-N 1 3 270.420 3.051 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@H]2CC23CC3)CC1 ZINC001550543979 938167702 /nfs/dbraw/zinc/16/77/02/938167702.db2.gz MPIKUHMISRPFCM-OAHLLOKOSA-N 1 3 262.441 3.127 20 0 CGADHO C[NH2+]C1CCN(C[C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC001552412852 938191935 /nfs/dbraw/zinc/19/19/35/938191935.db2.gz ZHHGOEGXERNKDK-WBVHZDCISA-N 1 3 272.436 3.254 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001553026276 938196011 /nfs/dbraw/zinc/19/60/11/938196011.db2.gz RDMCDOURJLRISO-MMADZMRASA-N 1 3 270.420 3.101 20 0 CGADHO [NH3+][C@H]1C[C@H](NC2CC(c3ccccc3Cl)C2)C12CCC2 ZINC001553026858 938196074 /nfs/dbraw/zinc/19/60/74/938196074.db2.gz CFKRDFIBJFLNSB-INCPQMAJSA-N 1 3 290.838 3.446 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC001553291695 938197909 /nfs/dbraw/zinc/19/79/09/938197909.db2.gz JGOTVOVLMRPYKT-XQQFMLRXSA-N 1 3 290.373 3.229 20 0 CGADHO CC[C@@H](C)[C@@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001560048726 938242699 /nfs/dbraw/zinc/24/26/99/938242699.db2.gz YBWGWTAECCUBNR-HUUCEWRRSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCC2(C)CC2)CC1 ZINC001560804543 938276685 /nfs/dbraw/zinc/27/66/85/938276685.db2.gz GYJUXUPQTAEXAX-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001561055728 938292243 /nfs/dbraw/zinc/29/22/43/938292243.db2.gz VKWGXOLQCCPMNW-SDADXPQNSA-N 1 3 252.446 3.131 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC001561055268 938292253 /nfs/dbraw/zinc/29/22/53/938292253.db2.gz KVCNHGXPQNNXFL-CABCVRRESA-N 1 3 280.431 3.467 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](C)Cc1ccccc1F ZINC001561055268 938292255 /nfs/dbraw/zinc/29/22/55/938292255.db2.gz KVCNHGXPQNNXFL-CABCVRRESA-N 1 3 280.431 3.467 20 0 CGADHO CC(C)[C@H](C[NH3+])CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC001575421618 962379550 /nfs/dbraw/zinc/37/95/50/962379550.db2.gz AEIMZZBXIHJBST-CVEARBPZSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)c1ccc(CN(C)CCC2([NH3+])CCOCC2)cc1 ZINC001575854315 962422182 /nfs/dbraw/zinc/42/21/82/962422182.db2.gz JPVXLPAGURJOHD-UHFFFAOYSA-N 1 3 290.451 3.140 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC001576426753 962456549 /nfs/dbraw/zinc/45/65/49/962456549.db2.gz NLHBSHISNZSSDH-SOUVJXGZSA-N 1 3 252.446 3.310 20 0 CGADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCCNC2CC2)C1 ZINC001576435028 962460770 /nfs/dbraw/zinc/46/07/70/962460770.db2.gz OHVJGBJXUNUNNE-GDBMZVCRSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC001576435028 962460778 /nfs/dbraw/zinc/46/07/78/962460778.db2.gz OHVJGBJXUNUNNE-GDBMZVCRSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(CNCc2c(F)ccc(F)c2Cl)CC[NH2+]CC1 ZINC001576525591 962470336 /nfs/dbraw/zinc/47/03/36/962470336.db2.gz HERBMNSGGDICDK-UHFFFAOYSA-N 1 3 288.769 3.098 20 0 CGADHO CCC(CC)(C[NH3+])CN1CCC[C@@H]1c1ccc(COC)o1 ZINC001577051516 962508820 /nfs/dbraw/zinc/50/88/20/962508820.db2.gz SFNQTUIJDMCGES-OAHLLOKOSA-N 1 3 294.439 3.328 20 0 CGADHO CCN(Cc1ccccc1C)C[C@]1(C)CCC[NH2+]C1 ZINC001577740082 962564230 /nfs/dbraw/zinc/56/42/30/962564230.db2.gz DOLZWVVLKLDHLF-QGZVFWFLSA-N 1 3 260.425 3.207 20 0 CGADHO COc1ccc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccc12 ZINC001579216163 962613946 /nfs/dbraw/zinc/61/39/46/962613946.db2.gz FOPJQWGZNDAMOT-ZWKOTPCHSA-N 1 3 296.414 3.208 20 0 CGADHO CS[C@@H]1CCC[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC001579370757 962621828 /nfs/dbraw/zinc/62/18/28/962621828.db2.gz VYBILVNTBLRTAK-MELADBBJSA-N 1 3 270.486 3.028 20 0 CGADHO Cc1ncoc1CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001579888120 962675682 /nfs/dbraw/zinc/67/56/82/962675682.db2.gz OLCOWOTYABYXBA-HOCLYGCPSA-N 1 3 291.439 3.103 20 0 CGADHO Fc1ccc(CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC001580030012 962691859 /nfs/dbraw/zinc/69/18/59/962691859.db2.gz FFSUUNAFETWTPE-AEFFLSMTSA-N 1 3 290.426 3.222 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCSC1CCCCC1 ZINC001580261772 962703486 /nfs/dbraw/zinc/70/34/86/962703486.db2.gz JOVBKOCVPJCRMY-DZGCQCFKSA-N 1 3 270.486 3.159 20 0 CGADHO [NH3+]CCC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC001580288512 962708899 /nfs/dbraw/zinc/70/88/99/962708899.db2.gz NDZKYQPLVRLPKH-OWOJBTEDSA-N 1 3 280.362 3.039 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)cc1 ZINC000621563365 349546893 /nfs/dbraw/zinc/54/68/93/349546893.db2.gz QXZFMURMGWENLX-SFHVURJKSA-N 1 3 274.452 3.461 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651808428 398290697 /nfs/dbraw/zinc/29/06/97/398290697.db2.gz QRCQGEPDDQQFLW-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337995627 214350951 /nfs/dbraw/zinc/35/09/51/214350951.db2.gz IYRZHXVRTGVHOT-LSDHHAIUSA-N 1 3 258.425 3.225 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000590786296 346876112 /nfs/dbraw/zinc/87/61/12/346876112.db2.gz NQICXUVXUBOTRQ-UHFFFAOYSA-N 1 3 278.415 3.378 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000590786296 346876114 /nfs/dbraw/zinc/87/61/14/346876114.db2.gz NQICXUVXUBOTRQ-UHFFFAOYSA-N 1 3 278.415 3.378 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000423460536 529453144 /nfs/dbraw/zinc/45/31/44/529453144.db2.gz IZYFXGHQLVLCEV-AAEUAGOBSA-N 1 3 272.339 3.066 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478464 529453702 /nfs/dbraw/zinc/45/37/02/529453702.db2.gz UPPDCKVPKIVTEL-PKOBYXMFSA-N 1 3 298.430 3.306 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348250145 282194196 /nfs/dbraw/zinc/19/41/96/282194196.db2.gz WGGOBKOYTXDYEG-XDNAFOTISA-N 1 3 272.436 3.253 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466412 529567872 /nfs/dbraw/zinc/56/78/72/529567872.db2.gz NMNSYQVNHOVTLZ-BLLLJJGKSA-N 1 3 272.392 3.236 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467778 529569369 /nfs/dbraw/zinc/56/93/69/529569369.db2.gz OBYKFPNDTXMZIF-UKRRQHHQSA-N 1 3 264.413 3.109 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)s1 ZINC000423341182 529591563 /nfs/dbraw/zinc/59/15/63/529591563.db2.gz XRRHDCLVRDPOPA-VIFPVBQESA-N 1 3 258.818 3.324 20 0 CGADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623344235 349783854 /nfs/dbraw/zinc/78/38/54/349783854.db2.gz BRLGZEXZDBLHLW-GDBMZVCRSA-N 1 3 258.409 3.136 20 0 CGADHO C[N@H+]1CC[C@@H](N[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623344235 349783859 /nfs/dbraw/zinc/78/38/59/349783859.db2.gz BRLGZEXZDBLHLW-GDBMZVCRSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CCC1 ZINC000449132529 529613057 /nfs/dbraw/zinc/61/30/57/529613057.db2.gz UWBQNCPROPBPSC-HOCLYGCPSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccn1 ZINC000623358620 349788188 /nfs/dbraw/zinc/78/81/88/349788188.db2.gz JGZSWDAZAFZJMK-HOTGVXAUSA-N 1 3 289.467 3.238 20 0 CGADHO C[C@H]1CCC[N@H+](CCCCNCc2ccncc2Cl)C1 ZINC000623358027 349788280 /nfs/dbraw/zinc/78/82/80/349788280.db2.gz LVJSNGVYCUTHFS-AWEZNQCLSA-N 1 3 295.858 3.337 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccncc2Cl)C1 ZINC000623358027 349788284 /nfs/dbraw/zinc/78/82/84/349788284.db2.gz LVJSNGVYCUTHFS-AWEZNQCLSA-N 1 3 295.858 3.337 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000423383697 529670307 /nfs/dbraw/zinc/67/03/07/529670307.db2.gz KPCHPDNTYSMRQA-YCPHGPKFSA-N 1 3 262.397 3.006 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423406069 529657786 /nfs/dbraw/zinc/65/77/86/529657786.db2.gz YJAPWQOAVHZCCS-ZNMIVQPWSA-N 1 3 250.361 3.136 20 0 CGADHO CCC(CC)[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000358336038 282274232 /nfs/dbraw/zinc/27/42/32/282274232.db2.gz BLENGVRJKKHEMO-ULQDDVLXSA-N 1 3 282.472 3.044 20 0 CGADHO CCC(CC)[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000358336038 282274234 /nfs/dbraw/zinc/27/42/34/282274234.db2.gz BLENGVRJKKHEMO-ULQDDVLXSA-N 1 3 282.472 3.044 20 0 CGADHO CCc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422740175 529722297 /nfs/dbraw/zinc/72/22/97/529722297.db2.gz AXNWYTGCDRUWDY-VBQJREDUSA-N 1 3 260.425 3.288 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@H](Oc3ccccc3)C2)CC1(C)C ZINC000623565425 349836760 /nfs/dbraw/zinc/83/67/60/349836760.db2.gz MPEXAQUUMILBFH-ZOBUZTSGSA-N 1 3 288.435 3.059 20 0 CGADHO C[N@H+]1CC[C@H](N[C@H]2C[C@H](Oc3ccccc3)C2)CC1(C)C ZINC000623565425 349836761 /nfs/dbraw/zinc/83/67/61/349836761.db2.gz MPEXAQUUMILBFH-ZOBUZTSGSA-N 1 3 288.435 3.059 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@H]2CCC[C@@H]21 ZINC000368611385 529806805 /nfs/dbraw/zinc/80/68/05/529806805.db2.gz CSSJKXDCWWEYIM-AGIUHOORSA-N 1 3 284.856 3.364 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@H]2CCC[C@@H]21 ZINC000368611385 529806806 /nfs/dbraw/zinc/80/68/06/529806806.db2.gz CSSJKXDCWWEYIM-AGIUHOORSA-N 1 3 284.856 3.364 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H]2CCC[C@@H]21 ZINC000368611385 529806807 /nfs/dbraw/zinc/80/68/07/529806807.db2.gz CSSJKXDCWWEYIM-AGIUHOORSA-N 1 3 284.856 3.364 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073102 529808334 /nfs/dbraw/zinc/80/83/34/529808334.db2.gz WHUPDEJGMXRPBX-VJANTYMQSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073102 529808335 /nfs/dbraw/zinc/80/83/35/529808335.db2.gz WHUPDEJGMXRPBX-VJANTYMQSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000623657386 349860026 /nfs/dbraw/zinc/86/00/26/349860026.db2.gz PKAKDCRKNICCFI-YVARQFDVSA-N 1 3 294.389 3.300 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623656147 349856951 /nfs/dbraw/zinc/85/69/51/349856951.db2.gz OBSBWSFHBZYIFR-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000623655892 349857277 /nfs/dbraw/zinc/85/72/77/349857277.db2.gz IAYBPQVYITVARV-OAHLLOKOSA-N 1 3 272.436 3.386 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623656899 349857847 /nfs/dbraw/zinc/85/78/47/349857847.db2.gz FDPIKUUMUACEDP-USXIJHARSA-N 1 3 264.457 3.300 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000423273690 529985856 /nfs/dbraw/zinc/98/58/56/529985856.db2.gz LIAKHHYXLQSEKZ-MLGOLLRUSA-N 1 3 260.425 3.126 20 0 CGADHO CN(Cc1cccc2ccoc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449323772 529996663 /nfs/dbraw/zinc/99/66/63/529996663.db2.gz WZHQNNGWFWURSO-SJPCQFCGSA-N 1 3 284.403 3.490 20 0 CGADHO CN(Cc1cccc2ccoc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449323772 529996664 /nfs/dbraw/zinc/99/66/64/529996664.db2.gz WZHQNNGWFWURSO-SJPCQFCGSA-N 1 3 284.403 3.490 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000423256209 529999824 /nfs/dbraw/zinc/99/98/24/529999824.db2.gz BMOWSLVPQCRJKI-BLLLJJGKSA-N 1 3 280.843 3.106 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423256209 529999826 /nfs/dbraw/zinc/99/98/26/529999826.db2.gz BMOWSLVPQCRJKI-BLLLJJGKSA-N 1 3 280.843 3.106 20 0 CGADHO c1coc(CNCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000008731175 344875044 /nfs/dbraw/zinc/87/50/44/344875044.db2.gz WNONLXHOTQKIST-UHFFFAOYSA-N 1 3 284.403 3.281 20 0 CGADHO CN(C)c1cccc(C[N@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000075860930 345525149 /nfs/dbraw/zinc/52/51/49/345525149.db2.gz LJTHRNQPAJFZSV-KRWDZBQOSA-N 1 3 289.467 3.059 20 0 CGADHO CN(C)c1cccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000075860930 345525152 /nfs/dbraw/zinc/52/51/52/345525152.db2.gz LJTHRNQPAJFZSV-KRWDZBQOSA-N 1 3 289.467 3.059 20 0 CGADHO C1=C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000090393384 345786395 /nfs/dbraw/zinc/78/63/95/345786395.db2.gz JDXXBCFTTBDJRN-OAHLLOKOSA-N 1 3 262.441 3.482 20 0 CGADHO C1=C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000090393384 345786398 /nfs/dbraw/zinc/78/63/98/345786398.db2.gz JDXXBCFTTBDJRN-OAHLLOKOSA-N 1 3 262.441 3.482 20 0 CGADHO C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000093210068 345872950 /nfs/dbraw/zinc/87/29/50/345872950.db2.gz MDNCYCABCKXXLX-SWHYSGLUSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000178209211 232384636 /nfs/dbraw/zinc/38/46/36/232384636.db2.gz DDUUAFPPIRJPKJ-CYBMUJFWSA-N 1 3 297.402 3.020 20 0 CGADHO CSCC1CCC([NH2+]CCCN(C)CC(C)C)CC1 ZINC000593645813 347098132 /nfs/dbraw/zinc/09/81/32/347098132.db2.gz JRZHXAZMDOPXAD-UHFFFAOYSA-N 1 3 286.529 3.476 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC2 ZINC000624120641 349976257 /nfs/dbraw/zinc/97/62/57/349976257.db2.gz DDOREPXJCYBIKI-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000351861615 219229167 /nfs/dbraw/zinc/22/91/67/219229167.db2.gz LBRKDRQXLRHQEZ-STQMWFEESA-N 1 3 298.883 3.491 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CC2 ZINC000624120644 349976887 /nfs/dbraw/zinc/97/68/87/349976887.db2.gz DDOREPXJCYBIKI-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121661 349979811 /nfs/dbraw/zinc/97/98/11/349979811.db2.gz ALOIKPYEBMFOIG-QWHCGFSZSA-N 1 3 280.378 3.429 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000624122109 349979911 /nfs/dbraw/zinc/97/99/11/349979911.db2.gz JXVHOIUWXXTTRB-NVXWUHKLSA-N 1 3 288.435 3.222 20 0 CGADHO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)s1 ZINC000624121232 349978214 /nfs/dbraw/zinc/97/82/14/349978214.db2.gz QPPGBFXBJJTYLV-BXUZGUMPSA-N 1 3 281.469 3.142 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc2cnccc2o1 ZINC000624123228 349982394 /nfs/dbraw/zinc/98/23/94/349982394.db2.gz IGYODDDORIPUGZ-UONOGXRCSA-N 1 3 287.407 3.210 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccncc1 ZINC000624123498 349983188 /nfs/dbraw/zinc/98/31/88/349983188.db2.gz NFOLDXHNIJXARB-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H](C)c1ccc(F)cc1 ZINC000339409768 215155033 /nfs/dbraw/zinc/15/50/33/215155033.db2.gz NNZMQCKZHQODSS-CJNGLKHVSA-N 1 3 266.404 3.234 20 0 CGADHO Cc1nc(C)c(CN2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000607729373 348259446 /nfs/dbraw/zinc/25/94/46/348259446.db2.gz WEBCOJVIKAPXSO-UHFFFAOYSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1nc(C)c(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000607729373 348259450 /nfs/dbraw/zinc/25/94/50/348259450.db2.gz WEBCOJVIKAPXSO-UHFFFAOYSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1cccc(C)c1OCCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000358354358 233114729 /nfs/dbraw/zinc/11/47/29/233114729.db2.gz KDDAPMZXASHPAG-QGZVFWFLSA-N 1 3 290.451 3.146 20 0 CGADHO CN1CC=C(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628232104 350454117 /nfs/dbraw/zinc/45/41/17/350454117.db2.gz MSHSPNZVHBTRFF-UHFFFAOYSA-N 1 3 298.352 3.099 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000628425725 350536790 /nfs/dbraw/zinc/53/67/90/350536790.db2.gz SYQRZRIAISTLBJ-IVMQYODDSA-N 1 3 286.463 3.428 20 0 CGADHO C[NH2+]CCOCCN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000629529734 350704293 /nfs/dbraw/zinc/70/42/93/350704293.db2.gz LWORZVVTUXBDOU-MRXNPFEDSA-N 1 3 296.430 3.129 20 0 CGADHO Cc1ccc2ncc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000629518906 350700482 /nfs/dbraw/zinc/70/04/82/350700482.db2.gz MSXJRXSACWVUFX-CGTJXYLNSA-N 1 3 295.430 3.102 20 0 CGADHO CC(C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631196163 350987261 /nfs/dbraw/zinc/98/72/61/350987261.db2.gz NYIQOOKZDFELQC-DOTOQJQBSA-N 1 3 260.425 3.000 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3[nH]ccc32)CC1(C)C ZINC000631306542 351021340 /nfs/dbraw/zinc/02/13/40/351021340.db2.gz HUPLBYLTSLFCRM-AWEZNQCLSA-N 1 3 271.408 3.130 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3[nH]ccc32)CC1(C)C ZINC000631306542 351021344 /nfs/dbraw/zinc/02/13/44/351021344.db2.gz HUPLBYLTSLFCRM-AWEZNQCLSA-N 1 3 271.408 3.130 20 0 CGADHO CCC[C@H](NCC1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631578603 351075104 /nfs/dbraw/zinc/07/51/04/351075104.db2.gz XDWNLWRKLLKRCY-INIZCTEOSA-N 1 3 275.440 3.163 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2ccc3cnccc3c2)C1 ZINC000634733576 351577938 /nfs/dbraw/zinc/57/79/38/351577938.db2.gz IWEUBNPVWVDCLX-KRWDZBQOSA-N 1 3 283.419 3.103 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000635005884 351623791 /nfs/dbraw/zinc/62/37/91/351623791.db2.gz PYVBQLCYNZYOMZ-PVAVHDDUSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H](Cc1cccs1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008467 351626267 /nfs/dbraw/zinc/62/62/67/351626267.db2.gz DREUCPAOZNDCJD-OLZOCXBDSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635008467 351626270 /nfs/dbraw/zinc/62/62/70/351626270.db2.gz DREUCPAOZNDCJD-OLZOCXBDSA-N 1 3 266.454 3.047 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635010033 351628050 /nfs/dbraw/zinc/62/80/50/351628050.db2.gz IVADRDWJWSLXPN-DZGCQCFKSA-N 1 3 276.424 3.124 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635009944 351628204 /nfs/dbraw/zinc/62/82/04/351628204.db2.gz XSBBOMVQCYZLIG-GOEBONIOSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@@H](Cc1cccs1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635009944 351628207 /nfs/dbraw/zinc/62/82/07/351628207.db2.gz XSBBOMVQCYZLIG-GOEBONIOSA-N 1 3 288.460 3.229 20 0 CGADHO CCC[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009918 351628633 /nfs/dbraw/zinc/62/86/33/351628633.db2.gz XERXZXHEWCOCSU-OALUTQOASA-N 1 3 297.446 3.473 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000123577039 187099089 /nfs/dbraw/zinc/09/90/89/187099089.db2.gz OJMHYJDODHGVIT-WBMJQRKESA-N 1 3 272.392 3.443 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000123577039 187099090 /nfs/dbraw/zinc/09/90/90/187099090.db2.gz OJMHYJDODHGVIT-WBMJQRKESA-N 1 3 272.392 3.443 20 0 CGADHO c1[nH]nc2c1[C@@H](NCCCCC[NH+]1CCCCC1)CCC2 ZINC000367741159 234247880 /nfs/dbraw/zinc/24/78/80/234247880.db2.gz RMCNJKYFGHSLOH-INIZCTEOSA-N 1 3 290.455 3.033 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1F ZINC000152788684 188044030 /nfs/dbraw/zinc/04/40/30/188044030.db2.gz SBUUFBOTMUAPGY-WOSRLPQWSA-N 1 3 294.414 3.043 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000158725066 188391464 /nfs/dbraw/zinc/39/14/64/188391464.db2.gz WZUNKZNHYAEABP-UHFFFAOYSA-N 1 3 289.467 3.057 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000158725066 188391466 /nfs/dbraw/zinc/39/14/66/188391466.db2.gz WZUNKZNHYAEABP-UHFFFAOYSA-N 1 3 289.467 3.057 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000158767205 188392618 /nfs/dbraw/zinc/39/26/18/188392618.db2.gz WEISWJJHJUAQEO-ROUUACIJSA-N 1 3 272.436 3.035 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000158767205 188392620 /nfs/dbraw/zinc/39/26/20/188392620.db2.gz WEISWJJHJUAQEO-ROUUACIJSA-N 1 3 272.436 3.035 20 0 CGADHO C[N@H+]1CC=C(CNCc2ccc(Cl)c(Cl)c2)CC1 ZINC000271798467 191334434 /nfs/dbraw/zinc/33/44/34/191334434.db2.gz IJWFDQMHJOMMSH-UHFFFAOYSA-N 1 3 285.218 3.345 20 0 CGADHO C[N@@H+]1CC=C(CNCc2ccc(Cl)c(Cl)c2)CC1 ZINC000271798467 191334436 /nfs/dbraw/zinc/33/44/36/191334436.db2.gz IJWFDQMHJOMMSH-UHFFFAOYSA-N 1 3 285.218 3.345 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367058134 283214193 /nfs/dbraw/zinc/21/41/93/283214193.db2.gz QEICZZKAWILCGB-QGZVFWFLSA-N 1 3 296.499 3.437 20 0 CGADHO COCc1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000125548045 138383242 /nfs/dbraw/zinc/38/32/42/138383242.db2.gz ZUKNTAKHWCOZDG-UHFFFAOYSA-N 1 3 294.439 3.028 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162761 138396454 /nfs/dbraw/zinc/39/64/54/138396454.db2.gz DHCAHSVGFRNDTL-WBVHZDCISA-N 1 3 290.476 3.195 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162761 138396455 /nfs/dbraw/zinc/39/64/55/138396455.db2.gz DHCAHSVGFRNDTL-WBVHZDCISA-N 1 3 290.476 3.195 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1Cl ZINC000422919407 235942143 /nfs/dbraw/zinc/94/21/43/235942143.db2.gz JXQWLIWWVFELAM-GUTXKFCHSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000423225960 236002444 /nfs/dbraw/zinc/00/24/44/236002444.db2.gz OWPYHLKKFXVCER-WDEREUQCSA-N 1 3 290.329 3.016 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000423228235 236003555 /nfs/dbraw/zinc/00/35/55/236003555.db2.gz YWKHJLUYNPSAPH-HZMBPMFUSA-N 1 3 297.240 3.227 20 0 CGADHO Cc1c([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cnn1C(C)(C)C ZINC000423283771 236022070 /nfs/dbraw/zinc/02/20/70/236022070.db2.gz WFOUIABBMLTEJA-BJJXKVORSA-N 1 3 292.471 3.115 20 0 CGADHO COc1ccc([C@H](C)NC[C@H](C)C[NH3+])c2ccccc12 ZINC000423297634 236029357 /nfs/dbraw/zinc/02/93/57/236029357.db2.gz LCNGJEIGHNKSKK-OLZOCXBDSA-N 1 3 272.392 3.094 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN)c2ccccc12 ZINC000423297634 236029358 /nfs/dbraw/zinc/02/93/58/236029358.db2.gz LCNGJEIGHNKSKK-OLZOCXBDSA-N 1 3 272.392 3.094 20 0 CGADHO COc1ccc([C@@H](CCC(C)C)NC[C@H](C)C[NH3+])cc1 ZINC000423297484 236030048 /nfs/dbraw/zinc/03/00/48/236030048.db2.gz KKWKMNUEFTUSMP-RHSMWYFYSA-N 1 3 278.440 3.357 20 0 CGADHO Cc1cc([C@@H](C)NC[C@H](C)C[NH3+])sc1Br ZINC000423310219 236033188 /nfs/dbraw/zinc/03/31/88/236033188.db2.gz RKYWPPSRFQEOSF-VXNVDRBHSA-N 1 3 291.258 3.064 20 0 CGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423334620 236041870 /nfs/dbraw/zinc/04/18/70/236041870.db2.gz FTMJZUHYVGHCJH-NSHDSACASA-N 1 3 293.480 3.319 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423387336 236059412 /nfs/dbraw/zinc/05/94/12/236059412.db2.gz MLUFMSJVGJVENV-IBGZPJMESA-N 1 3 278.399 3.375 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCCc2ccccc21 ZINC000423364687 236051197 /nfs/dbraw/zinc/05/11/97/236051197.db2.gz CSFLWTQCLWPXKN-KBRIMQKVSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000423364687 236051199 /nfs/dbraw/zinc/05/11/99/236051199.db2.gz CSFLWTQCLWPXKN-KBRIMQKVSA-N 1 3 258.409 3.042 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000423395134 236062566 /nfs/dbraw/zinc/06/25/66/236062566.db2.gz RSDVZHYLXYDXEC-BGTYHANMSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000423472684 236079292 /nfs/dbraw/zinc/07/92/92/236079292.db2.gz XUXNRYILDZMWEO-GMXVVIOVSA-N 1 3 268.351 3.133 20 0 CGADHO CCn1cc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423511548 236091433 /nfs/dbraw/zinc/09/14/33/236091433.db2.gz UDFRRKXRLVWJQN-RHSMWYFYSA-N 1 3 286.423 3.034 20 0 CGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccncc1 ZINC000423517455 236092645 /nfs/dbraw/zinc/09/26/45/236092645.db2.gz YWJCVZJVKACWGE-RHSMWYFYSA-N 1 3 269.392 3.212 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424364164 236157274 /nfs/dbraw/zinc/15/72/74/236157274.db2.gz CYFXXSZNXJGGBZ-NWANDNLSSA-N 1 3 278.465 3.199 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424293738 236143839 /nfs/dbraw/zinc/14/38/39/236143839.db2.gz PVDRRLGNMHTWRD-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO COCC(C)(C)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000426408694 236293955 /nfs/dbraw/zinc/29/39/55/236293955.db2.gz BZXQMLYDMDNLKG-DLBZAZTESA-N 1 3 296.499 3.245 20 0 CGADHO COCC(C)(C)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000426408694 236293956 /nfs/dbraw/zinc/29/39/56/236293956.db2.gz BZXQMLYDMDNLKG-DLBZAZTESA-N 1 3 296.499 3.245 20 0 CGADHO Cc1ccccc1C[N@H+](C)CCCN1CCCCC1 ZINC000428283201 236387774 /nfs/dbraw/zinc/38/77/74/236387774.db2.gz HONGJYZQZRHFLO-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO Cc1ccccc1C[N@@H+](C)CCCN1CCCCC1 ZINC000428283201 236387778 /nfs/dbraw/zinc/38/77/78/236387778.db2.gz HONGJYZQZRHFLO-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cncc(F)c1 ZINC000158195059 299289107 /nfs/dbraw/zinc/28/91/07/299289107.db2.gz CLEXCHVYZVVWQK-HNNXBMFYSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@H](NCC[C@H]1CCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000423357168 299301263 /nfs/dbraw/zinc/30/12/63/299301263.db2.gz HWCOMWYYWZFIPM-GOEBONIOSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000177270896 189041067 /nfs/dbraw/zinc/04/10/67/189041067.db2.gz NYJOZMGDJSNXMS-ZDUSSCGKSA-N 1 3 278.465 3.348 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422840939 296020853 /nfs/dbraw/zinc/02/08/53/296020853.db2.gz CJIDSDVYNNCZDW-KGLIPLIRSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(C(C)(C)C)cc1 ZINC000422840939 296020856 /nfs/dbraw/zinc/02/08/56/296020856.db2.gz CJIDSDVYNNCZDW-KGLIPLIRSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OC(F)F)cc1 ZINC000179616829 189207778 /nfs/dbraw/zinc/20/77/78/189207778.db2.gz QHTWKICHTMTSFO-OCCSQVGLSA-N 1 3 298.377 3.423 20 0 CGADHO CC[C@@H](C[N@@H+]1CC[C@@H](CN(C)CC)C1)c1ccccc1 ZINC000537648073 376189705 /nfs/dbraw/zinc/18/97/05/376189705.db2.gz QXHLAFMBQDLIKB-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@@H](C[N@H+]1CC[C@@H](CN(C)CC)C1)c1ccccc1 ZINC000537648073 376189712 /nfs/dbraw/zinc/18/97/12/376189712.db2.gz QXHLAFMBQDLIKB-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@@H](CN1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648073 376189720 /nfs/dbraw/zinc/18/97/20/376189720.db2.gz QXHLAFMBQDLIKB-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@@H](CN1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648073 376189725 /nfs/dbraw/zinc/18/97/25/376189725.db2.gz QXHLAFMBQDLIKB-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO Cc1ccc2nccc(N(C)C[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000302141761 201361022 /nfs/dbraw/zinc/36/10/22/201361022.db2.gz FGZNPGCLIZANME-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1ccc2nccc(N(C)C[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000302141761 201361024 /nfs/dbraw/zinc/36/10/24/201361024.db2.gz FGZNPGCLIZANME-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO CCOc1cccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)c1 ZINC000119679358 370697580 /nfs/dbraw/zinc/69/75/80/370697580.db2.gz XJPPRKXRFBDBTD-CQSZACIVSA-N 1 3 288.435 3.363 20 0 CGADHO Clc1ccc([C@@H]2CC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335617768 212331367 /nfs/dbraw/zinc/33/13/67/212331367.db2.gz ZQBGIZBAPFEVHD-CZUORRHYSA-N 1 3 278.827 3.318 20 0 CGADHO CN(CCCCOc1ccccc1)CCC[NH+]1CCCC1 ZINC000337285288 376191584 /nfs/dbraw/zinc/19/15/84/376191584.db2.gz ZSIFFVUUVANYFF-UHFFFAOYSA-N 1 3 290.451 3.263 20 0 CGADHO CCC[NH+]1CCC(NCC(C)(C)Oc2ccccc2)CC1 ZINC000462117195 242329258 /nfs/dbraw/zinc/32/92/58/242329258.db2.gz SEBDFZMJKACAQT-UHFFFAOYSA-N 1 3 290.451 3.308 20 0 CGADHO Clc1cccc2c1SCC[C@H]2NCC1=CC[NH2+]CC1 ZINC000335520267 212209170 /nfs/dbraw/zinc/20/91/70/212209170.db2.gz QGBQHSVRWSDKFX-CQSZACIVSA-N 1 3 294.851 3.386 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919805 243061227 /nfs/dbraw/zinc/06/12/27/243061227.db2.gz XNBROIRQJWMPSN-HNNXBMFYSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H](Cc1ccccc1F)NCC(C)(C)C[NH+]1CCCC1 ZINC000477919805 243061230 /nfs/dbraw/zinc/06/12/30/243061230.db2.gz XNBROIRQJWMPSN-HNNXBMFYSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000477908557 243058916 /nfs/dbraw/zinc/05/89/16/243058916.db2.gz CGHYFSWHSWVAFU-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000478045605 243067422 /nfs/dbraw/zinc/06/74/22/243067422.db2.gz WQALAOJUEDEXLV-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000478045605 243067425 /nfs/dbraw/zinc/06/74/25/243067425.db2.gz WQALAOJUEDEXLV-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cncc(F)c1 ZINC000158195205 296121669 /nfs/dbraw/zinc/12/16/69/296121669.db2.gz CLEXCHVYZVVWQK-OAHLLOKOSA-N 1 3 293.430 3.383 20 0 CGADHO CCN1CC[C@H](C[NH2+]C(CC(C)C)CC(C)C)C1 ZINC000037644193 369092853 /nfs/dbraw/zinc/09/28/53/369092853.db2.gz VVJKCMJERCVQME-OAHLLOKOSA-N 1 3 254.462 3.379 20 0 CGADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037648868 369094423 /nfs/dbraw/zinc/09/44/23/369094423.db2.gz RQRJZADIWUZDCW-LSDHHAIUSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648868 369094429 /nfs/dbraw/zinc/09/44/29/369094429.db2.gz RQRJZADIWUZDCW-LSDHHAIUSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037649202 369095903 /nfs/dbraw/zinc/09/59/03/369095903.db2.gz HJJDWXMUROFLLT-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649202 369095907 /nfs/dbraw/zinc/09/59/07/369095907.db2.gz HJJDWXMUROFLLT-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCSc1ccccc1 ZINC000037904185 369124052 /nfs/dbraw/zinc/12/40/52/369124052.db2.gz ZQDVNFBKQYNNDW-IIAWOOMASA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCSc1ccccc1 ZINC000037904185 369124056 /nfs/dbraw/zinc/12/40/56/369124056.db2.gz ZQDVNFBKQYNNDW-IIAWOOMASA-N 1 3 278.465 3.097 20 0 CGADHO C[N@H+](CCCNC1Cc2ccccc2C1)C1CCCCC1 ZINC000037901172 369124283 /nfs/dbraw/zinc/12/42/83/369124283.db2.gz DBLYNPXREGSCNC-UHFFFAOYSA-N 1 3 286.463 3.398 20 0 CGADHO C[N@@H+](CCCNC1Cc2ccccc2C1)C1CCCCC1 ZINC000037901172 369124291 /nfs/dbraw/zinc/12/42/91/369124291.db2.gz DBLYNPXREGSCNC-UHFFFAOYSA-N 1 3 286.463 3.398 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000038097980 369144882 /nfs/dbraw/zinc/14/48/82/369144882.db2.gz QLWHVWSUQDHLNC-GOSISDBHSA-N 1 3 288.435 3.147 20 0 CGADHO c1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075701 369171473 /nfs/dbraw/zinc/17/14/73/369171473.db2.gz YUJMSLGHZLJJHT-RDTXWAMCSA-N 1 3 270.420 3.212 20 0 CGADHO c1ccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075701 369171481 /nfs/dbraw/zinc/17/14/81/369171481.db2.gz YUJMSLGHZLJJHT-RDTXWAMCSA-N 1 3 270.420 3.212 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CC2CCN(C)CC2)s1 ZINC000044515241 369263954 /nfs/dbraw/zinc/26/39/54/369263954.db2.gz CPYQKILIUYIXKW-LBPRGKRZSA-N 1 3 252.427 3.049 20 0 CGADHO C[C@@H](Nc1ccnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000050164223 369430124 /nfs/dbraw/zinc/43/01/24/369430124.db2.gz UHTACCOBGMCTSQ-CHWSQXEVSA-N 1 3 255.365 3.035 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC000228536678 189793755 /nfs/dbraw/zinc/79/37/55/189793755.db2.gz TWKYPWZGCJWARK-RCCFBDPRSA-N 1 3 270.420 3.123 20 0 CGADHO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc2ccccc21 ZINC000052062078 369463314 /nfs/dbraw/zinc/46/33/14/369463314.db2.gz SLTSULWZJKGSJM-CJNGLKHVSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H]1CCCNC1 ZINC000423215278 296144512 /nfs/dbraw/zinc/14/45/12/296144512.db2.gz MVXHNSQGBOFXGU-OUCADQQQSA-N 1 3 274.399 3.178 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000070169808 369786882 /nfs/dbraw/zinc/78/68/82/369786882.db2.gz VJCKJRJPIFYZLG-VXGBXAGGSA-N 1 3 268.351 3.087 20 0 CGADHO CCCOc1cccc(CN2CCC(CC[NH2+]C)CC2)c1 ZINC000070188852 369787519 /nfs/dbraw/zinc/78/75/19/369787519.db2.gz WUFFIGGSKIBOLZ-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000070188870 369787574 /nfs/dbraw/zinc/78/75/74/369787574.db2.gz OOCOAXFSTYLXHG-UHFFFAOYSA-N 1 3 298.377 3.110 20 0 CGADHO C[NH2+]CCC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000070189028 369787816 /nfs/dbraw/zinc/78/78/16/369787816.db2.gz IXNJIGAYZQHYQW-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO C[NH2+]CCC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000070188922 369788118 /nfs/dbraw/zinc/78/81/18/369788118.db2.gz OIYACPWJCRJXPI-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO C[NH2+]C[C@@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000109347864 370362139 /nfs/dbraw/zinc/36/21/39/370362139.db2.gz ROYQCRLAFZGGLD-AWEZNQCLSA-N 1 3 278.399 3.298 20 0 CGADHO CCCN1CCC([N@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000109786739 370366447 /nfs/dbraw/zinc/36/64/47/370366447.db2.gz SUJOBXBMFGNENA-UHFFFAOYSA-N 1 3 294.414 3.011 20 0 CGADHO CCCN1CCC([N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000109786739 370366454 /nfs/dbraw/zinc/36/64/54/370366454.db2.gz SUJOBXBMFGNENA-UHFFFAOYSA-N 1 3 294.414 3.011 20 0 CGADHO C[C@H]1CCC[C@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000130158443 371014931 /nfs/dbraw/zinc/01/49/31/371014931.db2.gz WSISFNRAPCUERZ-HOCLYGCPSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130560638 371043044 /nfs/dbraw/zinc/04/30/44/371043044.db2.gz KJSXBCAFCRXKFJ-VYDXJSESSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130560638 371043052 /nfs/dbraw/zinc/04/30/52/371043052.db2.gz KJSXBCAFCRXKFJ-VYDXJSESSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000130934738 371071762 /nfs/dbraw/zinc/07/17/62/371071762.db2.gz DCNPKNOIKVETLQ-LSDHHAIUSA-N 1 3 272.436 3.216 20 0 CGADHO CC[C@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337302272 376203200 /nfs/dbraw/zinc/20/32/00/376203200.db2.gz PHQOLIXSIRNVCI-AWEZNQCLSA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337302272 376203207 /nfs/dbraw/zinc/20/32/07/376203207.db2.gz PHQOLIXSIRNVCI-AWEZNQCLSA-N 1 3 261.413 3.028 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(O)c2)CC1 ZINC000134168330 371309224 /nfs/dbraw/zinc/30/92/24/371309224.db2.gz XXLPEKJNHWKOJC-UHFFFAOYSA-N 1 3 290.451 3.336 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(O)c2)CC1 ZINC000134168330 371309232 /nfs/dbraw/zinc/30/92/32/371309232.db2.gz XXLPEKJNHWKOJC-UHFFFAOYSA-N 1 3 290.451 3.336 20 0 CGADHO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)c1 ZINC000148344655 371522039 /nfs/dbraw/zinc/52/20/39/371522039.db2.gz AJGRHHOFVPQWBO-GOEBONIOSA-N 1 3 276.424 3.220 20 0 CGADHO Fc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000344031660 217017259 /nfs/dbraw/zinc/01/72/59/217017259.db2.gz HFWHQXISVWDFNJ-UGSOOPFHSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031660 217017262 /nfs/dbraw/zinc/01/72/62/217017262.db2.gz HFWHQXISVWDFNJ-UGSOOPFHSA-N 1 3 288.410 3.277 20 0 CGADHO c1ccc(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150790239 371539414 /nfs/dbraw/zinc/53/94/14/371539414.db2.gz OJYSHHIYOONHKG-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO c1ccc(CCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000150790239 371539418 /nfs/dbraw/zinc/53/94/18/371539418.db2.gz OJYSHHIYOONHKG-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO c1ccc(CCC[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000150790239 371539421 /nfs/dbraw/zinc/53/94/21/371539421.db2.gz OJYSHHIYOONHKG-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccccc2C)C1 ZINC000151126387 371571513 /nfs/dbraw/zinc/57/15/13/371571513.db2.gz BAEDUZSEQOJLHP-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccccc2C)C1 ZINC000151126387 371571520 /nfs/dbraw/zinc/57/15/20/371571520.db2.gz BAEDUZSEQOJLHP-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000151126387 371571526 /nfs/dbraw/zinc/57/15/26/371571526.db2.gz BAEDUZSEQOJLHP-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000151139437 371576910 /nfs/dbraw/zinc/57/69/10/371576910.db2.gz JDNJSZLEVIXGJL-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc([C@H](C)NCCC[NH+](C)C)c2ccccc12 ZINC000151921323 371652166 /nfs/dbraw/zinc/65/21/66/371652166.db2.gz FLORSSGKQXTJTN-AWEZNQCLSA-N 1 3 286.419 3.451 20 0 CGADHO Cc1cc(CNC(C)(C)CC[NH3+])sc1Br ZINC000422560472 371750227 /nfs/dbraw/zinc/75/02/27/371750227.db2.gz GWIFPZCYBZWAEJ-UHFFFAOYSA-N 1 3 291.258 3.036 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)c1cccc(F)c1 ZINC000422762413 371791622 /nfs/dbraw/zinc/79/16/22/371791622.db2.gz NTVDOZIAUJUHFP-BBRMVZONSA-N 1 3 278.415 3.210 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCCCNc2ccccn2)c2ccccc21 ZINC000422700015 371757682 /nfs/dbraw/zinc/75/76/82/371757682.db2.gz FUDMGEJKKAEIFD-SJORKVTESA-N 1 3 296.418 3.008 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000422764597 371792640 /nfs/dbraw/zinc/79/26/40/371792640.db2.gz JZKGOEUCLORDER-DOMZBBRYSA-N 1 3 298.883 3.410 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726376 371770910 /nfs/dbraw/zinc/77/09/10/371770910.db2.gz DSWXHXYCYSUZAR-UONOGXRCSA-N 1 3 252.789 3.090 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729651 371771144 /nfs/dbraw/zinc/77/11/44/371771144.db2.gz LBGLXRFLHBQUIF-YFVFXCHESA-N 1 3 250.430 3.075 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422763059 371792876 /nfs/dbraw/zinc/79/28/76/371792876.db2.gz IUCQHRNQFKBFAB-CZUORRHYSA-N 1 3 296.455 3.166 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422763058 371793110 /nfs/dbraw/zinc/79/31/10/371793110.db2.gz IUCQHRNQFKBFAB-CJNGLKHVSA-N 1 3 296.455 3.166 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422766472 371794628 /nfs/dbraw/zinc/79/46/28/371794628.db2.gz XJIYRVYGVUBBHP-GOEBONIOSA-N 1 3 278.465 3.276 20 0 CGADHO COc1ccc([C@H](N[C@H](C)C[C@@H](C)[NH3+])C(C)C)cc1 ZINC000422780570 371802850 /nfs/dbraw/zinc/80/28/50/371802850.db2.gz HRPRIEJLBDLJPP-XJKCOSOUSA-N 1 3 264.413 3.108 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422780650 371803373 /nfs/dbraw/zinc/80/33/73/371803373.db2.gz JQVKZIZVADONHA-OIISXLGYSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](OCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422780874 371804021 /nfs/dbraw/zinc/80/40/21/371804021.db2.gz HTLCIGMSGDZMFH-QTXGHNMQSA-N 1 3 288.435 3.027 20 0 CGADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000422792232 371810810 /nfs/dbraw/zinc/81/08/10/371810810.db2.gz VUMINMQKRRLBQF-APHBMKBZSA-N 1 3 296.842 3.005 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422798342 371816118 /nfs/dbraw/zinc/81/61/18/371816118.db2.gz QSJZHOPAZNEQAK-NNXHMXCWSA-N 1 3 264.457 3.452 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422813202 371825562 /nfs/dbraw/zinc/82/55/62/371825562.db2.gz RQWXPWVTQPAGFK-DOTOQJQBSA-N 1 3 272.436 3.215 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877998 371850272 /nfs/dbraw/zinc/85/02/72/371850272.db2.gz INCRUODSUGBKGU-RBUKOAKNSA-N 1 3 296.414 3.235 20 0 CGADHO CCCCOc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422893773 371856760 /nfs/dbraw/zinc/85/67/60/371856760.db2.gz RGBZJWUBXKRBQL-KGLIPLIRSA-N 1 3 264.413 3.081 20 0 CGADHO CCCCOc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422891099 371857705 /nfs/dbraw/zinc/85/77/05/371857705.db2.gz JYDMCKQNXBJWMR-DOTOQJQBSA-N 1 3 276.424 3.083 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCNC2)C12CCCCC2 ZINC000422917422 371867870 /nfs/dbraw/zinc/86/78/70/371867870.db2.gz DTQOJVRQXFIDNO-VVLHAWIVSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000422923854 371873631 /nfs/dbraw/zinc/87/36/31/371873631.db2.gz STTNMITXTBBIHH-DOPJRALCSA-N 1 3 287.451 3.468 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422929916 371875890 /nfs/dbraw/zinc/87/58/90/371875890.db2.gz RWJKONRVQYNDNZ-SJORKVTESA-N 1 3 272.436 3.116 20 0 CGADHO CCCC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000422931831 371878762 /nfs/dbraw/zinc/87/87/62/371878762.db2.gz YCFUHDQCHSSYOZ-GFCCVEGCSA-N 1 3 261.413 3.080 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422940578 371881593 /nfs/dbraw/zinc/88/15/93/371881593.db2.gz HBUDDLWHTVDKEE-XJKSGUPXSA-N 1 3 280.843 3.250 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000422843054 371836553 /nfs/dbraw/zinc/83/65/53/371836553.db2.gz GUMAYFVKMWAGLH-RDJZCZTQSA-N 1 3 274.452 3.244 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422840943 371837056 /nfs/dbraw/zinc/83/70/56/371837056.db2.gz CJIDSDVYNNCZDW-ZIAGYGMSSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(C(C)(C)C)cc1 ZINC000422840943 371837063 /nfs/dbraw/zinc/83/70/63/371837063.db2.gz CJIDSDVYNNCZDW-ZIAGYGMSSA-N 1 3 262.441 3.242 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422841695 371837383 /nfs/dbraw/zinc/83/73/83/371837383.db2.gz WQGLETLJYRWUTG-BHYGNILZSA-N 1 3 290.476 3.124 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1SCCc2ccccc21 ZINC000422841695 371837386 /nfs/dbraw/zinc/83/73/86/371837386.db2.gz WQGLETLJYRWUTG-BHYGNILZSA-N 1 3 290.476 3.124 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCSc2c(F)cccc21 ZINC000422846523 371838612 /nfs/dbraw/zinc/83/86/12/371838612.db2.gz PYOZQCMIKGYMKW-TUKIKUTGSA-N 1 3 294.439 3.470 20 0 CGADHO Fc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000422844548 371839260 /nfs/dbraw/zinc/83/92/60/371839260.db2.gz MDWRVIDVJKXBDB-SJPCQFCGSA-N 1 3 288.410 3.120 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000423050677 371936297 /nfs/dbraw/zinc/93/62/97/371936297.db2.gz ZEKGULVHHVGHHZ-XMTFNYHQSA-N 1 3 296.499 3.481 20 0 CGADHO C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423061847 371941966 /nfs/dbraw/zinc/94/19/66/371941966.db2.gz RNXLZPPMZOKTQI-SWHYSGLUSA-N 1 3 286.341 3.278 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Nc1ccccc1 ZINC000422983399 371901909 /nfs/dbraw/zinc/90/19/09/371901909.db2.gz ZHBCKAIMCUWZQM-NXHRZFHOSA-N 1 3 289.467 3.230 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Nc1ccccc1 ZINC000422983399 371901912 /nfs/dbraw/zinc/90/19/12/371901912.db2.gz ZHBCKAIMCUWZQM-NXHRZFHOSA-N 1 3 289.467 3.230 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCC[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000422991377 371905658 /nfs/dbraw/zinc/90/56/58/371905658.db2.gz POEKRWDOBPFTOD-NKGKWGDASA-N 1 3 288.435 3.052 20 0 CGADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000423002697 371910656 /nfs/dbraw/zinc/91/06/56/371910656.db2.gz ZHCKNAXJMHPYKE-CIRFHOKZSA-N 1 3 290.451 3.400 20 0 CGADHO Cc1ccsc1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423012522 371914612 /nfs/dbraw/zinc/91/46/12/371914612.db2.gz DHCDGIAGEAGKPE-HUUCEWRRSA-N 1 3 272.417 3.333 20 0 CGADHO CC1(C)CC[C@H](CN[C@H]2CCC[C@H]2[NH3+])c2ccccc21 ZINC000423017325 371918930 /nfs/dbraw/zinc/91/89/30/371918930.db2.gz OLTUTOQUNRKOFG-XYPHTWIQSA-N 1 3 272.436 3.311 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1c2ccccc2CCC1(C)C ZINC000423026035 371923016 /nfs/dbraw/zinc/92/30/16/371923016.db2.gz MUCKBWLYHYHKHO-WOSRLPQWSA-N 1 3 260.425 3.416 20 0 CGADHO C[C@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)C1CNC1 ZINC000423038010 371928285 /nfs/dbraw/zinc/92/82/85/371928285.db2.gz XMANWHCRFOXCSJ-MKQDKFQKSA-N 1 3 276.399 3.049 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423041263 371929549 /nfs/dbraw/zinc/92/95/49/371929549.db2.gz WTKXAMMBEDQHLE-REBRKWNGSA-N 1 3 293.480 3.065 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093603 371959154 /nfs/dbraw/zinc/95/91/54/371959154.db2.gz IEBVOTACVZZPSQ-WBOJAVRRSA-N 1 3 276.399 3.049 20 0 CGADHO CCCC[C@@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000290329730 371963485 /nfs/dbraw/zinc/96/34/85/371963485.db2.gz OUAIBUBTRDFUEU-OAHLLOKOSA-N 1 3 293.455 3.080 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423099749 371964051 /nfs/dbraw/zinc/96/40/51/371964051.db2.gz UGNCYCJBCJAQGF-MCPWVCTESA-N 1 3 294.389 3.318 20 0 CGADHO CCC1(Cc2ccccc2)CC[NH+]([C@@H](C)C2CNC2)CC1 ZINC000423099808 371964125 /nfs/dbraw/zinc/96/41/25/371964125.db2.gz UIPQCPBSDYZYCO-INIZCTEOSA-N 1 3 286.463 3.329 20 0 CGADHO CCC1(Cc2ccccc2)CCN([C@@H](C)C2C[NH2+]C2)CC1 ZINC000423099808 371964132 /nfs/dbraw/zinc/96/41/32/371964132.db2.gz UIPQCPBSDYZYCO-INIZCTEOSA-N 1 3 286.463 3.329 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423103113 371965864 /nfs/dbraw/zinc/96/58/64/371965864.db2.gz XPFKQLCMAMHBHZ-NMFUWQPSSA-N 1 3 298.352 3.421 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CO)CCC(C)(C)C ZINC000423105249 371968614 /nfs/dbraw/zinc/96/86/14/371968614.db2.gz YTLUQFAWKWLPDB-OWCLPIDISA-N 1 3 284.488 3.074 20 0 CGADHO C[C@H](NC1CC(c2ccc(F)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423107485 371969425 /nfs/dbraw/zinc/96/94/25/371969425.db2.gz SCQIWDLFYOEMKD-WHNWWWKISA-N 1 3 296.817 3.313 20 0 CGADHO CC(F)(F)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423132642 371983391 /nfs/dbraw/zinc/98/33/91/371983391.db2.gz JPPQXEIAHQQOAO-GXTWGEPZSA-N 1 3 268.351 3.015 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138280 371986228 /nfs/dbraw/zinc/98/62/28/371986228.db2.gz XNLALXQHJHMSOH-ZFZWDLNGSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138280 371986236 /nfs/dbraw/zinc/98/62/36/371986236.db2.gz XNLALXQHJHMSOH-ZFZWDLNGSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423142525 371989346 /nfs/dbraw/zinc/98/93/46/371989346.db2.gz AKPRAFNBNLJTEQ-QGPMSJSTSA-N 1 3 272.436 3.084 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCCC[C@H]3CN)CC2)c(C)c1 ZINC000423143484 371989464 /nfs/dbraw/zinc/98/94/64/371989464.db2.gz DFNZLJKPPNCROF-FUHWJXTLSA-N 1 3 286.463 3.442 20 0 CGADHO Cc1ccc(C2(CN[C@H](C)C[C@@H](C)[NH3+])CC2)c(C)c1 ZINC000423144731 371990198 /nfs/dbraw/zinc/99/01/98/371990198.db2.gz HUGXPAKYSRVKOE-HUUCEWRRSA-N 1 3 260.425 3.050 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H](C)C[C@@H](C)N)CC2)c(C)c1 ZINC000423144731 371990206 /nfs/dbraw/zinc/99/02/06/371990206.db2.gz HUGXPAKYSRVKOE-HUUCEWRRSA-N 1 3 260.425 3.050 20 0 CGADHO Cc1cccnc1CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423158052 371996267 /nfs/dbraw/zinc/99/62/67/371996267.db2.gz WCQYGTTZWWXIPB-FUHWJXTLSA-N 1 3 281.403 3.057 20 0 CGADHO FC1(F)CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000423165787 371998198 /nfs/dbraw/zinc/99/81/98/371998198.db2.gz QIXMNCMTTPEFLQ-QLFBSQMISA-N 1 3 286.410 3.322 20 0 CGADHO C[C@@H](NC1(Cc2cccc(Cl)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423167525 371999289 /nfs/dbraw/zinc/99/92/89/371999289.db2.gz WZORIBHXBDLSTL-TZMCWYRMSA-N 1 3 278.827 3.003 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000423070287 371945755 /nfs/dbraw/zinc/94/57/55/371945755.db2.gz FXVQRWUCLLGRKE-FGTMMUONSA-N 1 3 272.436 3.445 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H](C)C[C@H](C)N)Cc1ccccc1 ZINC000423076584 371950534 /nfs/dbraw/zinc/95/05/34/371950534.db2.gz ZIKLGIWJYHGHBR-ZOBUZTSGSA-N 1 3 262.441 3.217 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000290553793 372016182 /nfs/dbraw/zinc/01/61/82/372016182.db2.gz RYPIMJGWMVLCRV-NJAFHUGGSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000290553793 372016186 /nfs/dbraw/zinc/01/61/86/372016186.db2.gz RYPIMJGWMVLCRV-NJAFHUGGSA-N 1 3 272.436 3.206 20 0 CGADHO Cc1ccc(Br)c(CN[C@@H](C)CCCC[NH3+])c1 ZINC000423193754 372018612 /nfs/dbraw/zinc/01/86/12/372018612.db2.gz WDYVUZOESLTDFA-LBPRGKRZSA-N 1 3 299.256 3.365 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCCC[NH3+] ZINC000423195472 372018856 /nfs/dbraw/zinc/01/88/56/372018856.db2.gz SQEUVAGNOQZEAR-LBPRGKRZSA-N 1 3 272.845 3.149 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCN ZINC000423195472 372018858 /nfs/dbraw/zinc/01/88/58/372018858.db2.gz SQEUVAGNOQZEAR-LBPRGKRZSA-N 1 3 272.845 3.149 20 0 CGADHO CNCCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423198486 372023236 /nfs/dbraw/zinc/02/32/36/372023236.db2.gz GDSHLCXIKHGKFG-VXGBXAGGSA-N 1 3 254.805 3.031 20 0 CGADHO C[NH2+]CCCN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423198486 372023240 /nfs/dbraw/zinc/02/32/40/372023240.db2.gz GDSHLCXIKHGKFG-VXGBXAGGSA-N 1 3 254.805 3.031 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423208832 372031662 /nfs/dbraw/zinc/03/16/62/372031662.db2.gz HZOXHPDJTINNBA-DYVFJYSZSA-N 1 3 283.419 3.135 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2NC[C@H]1CCC[NH2+]C1 ZINC000423210053 372032726 /nfs/dbraw/zinc/03/27/26/372032726.db2.gz JMYUYUCAGKMUJR-RDJZCZTQSA-N 1 3 272.436 3.270 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1CCCNC1 ZINC000423210053 372032731 /nfs/dbraw/zinc/03/27/31/372032731.db2.gz JMYUYUCAGKMUJR-RDJZCZTQSA-N 1 3 272.436 3.270 20 0 CGADHO Cc1cc([C@H]([NH2+]C[C@@H](N)C(C)C)C2CC2)ccc1F ZINC000423266152 372044159 /nfs/dbraw/zinc/04/41/59/372044159.db2.gz DFIRTUUQIFWZFY-HZPDHXFCSA-N 1 3 264.388 3.158 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000423279381 372048413 /nfs/dbraw/zinc/04/84/13/372048413.db2.gz SHIBLCGVYBLDLM-USXIJHARSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)c2ccccc21 ZINC000423407597 372061725 /nfs/dbraw/zinc/06/17/25/372061725.db2.gz WBWACMZREIQWDO-OQUILHJVSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)c2ccccc21 ZINC000423407597 372061732 /nfs/dbraw/zinc/06/17/32/372061732.db2.gz WBWACMZREIQWDO-OQUILHJVSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000423297504 372049758 /nfs/dbraw/zinc/04/97/58/372049758.db2.gz KNTIXQKXXGLINE-QAPCUYQASA-N 1 3 268.404 3.155 20 0 CGADHO Clc1ccc2c(c1Cl)CC[C@H]2NCC1=CC[NH2+]CC1 ZINC000423347141 372053739 /nfs/dbraw/zinc/05/37/39/372053739.db2.gz QDJSOIFTCFCPCN-CQSZACIVSA-N 1 3 297.229 3.490 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCCc3ccccc32)C1 ZINC000423364563 372055068 /nfs/dbraw/zinc/05/50/68/372055068.db2.gz AVFSGTRFXRWJQE-VYDXJSESSA-N 1 3 258.409 3.314 20 0 CGADHO CC[C@@H](CN[C@H](CC)[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423174400 372004962 /nfs/dbraw/zinc/00/49/62/372004962.db2.gz CAQRETCDYFWCLT-UTUOFQBUSA-N 1 3 266.351 3.085 20 0 CGADHO CC[C@@H](C[NH2+][C@H](CC)[C@@H]1CCCN1)CC(F)(F)F ZINC000423174400 372004968 /nfs/dbraw/zinc/00/49/68/372004968.db2.gz CAQRETCDYFWCLT-UTUOFQBUSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H](NCCC[NH3+])c1cccc(-c2ccccc2)c1 ZINC000423177622 372007170 /nfs/dbraw/zinc/00/71/70/372007170.db2.gz JDWUTGAXQFGNSW-AWEZNQCLSA-N 1 3 254.377 3.353 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H](C)C2 ZINC000425941528 372146242 /nfs/dbraw/zinc/14/62/42/372146242.db2.gz BVBAHVNWSJOWKP-JJRVBVJISA-N 1 3 260.425 3.016 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH+](C)C)[C@H](C)C2 ZINC000425941528 372146249 /nfs/dbraw/zinc/14/62/49/372146249.db2.gz BVBAHVNWSJOWKP-JJRVBVJISA-N 1 3 260.425 3.016 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528253 372162754 /nfs/dbraw/zinc/16/27/54/372162754.db2.gz YRQNEQHJTKINNI-YVSFHVDLSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528253 372162762 /nfs/dbraw/zinc/16/27/62/372162762.db2.gz YRQNEQHJTKINNI-YVSFHVDLSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528253 372162770 /nfs/dbraw/zinc/16/27/70/372162770.db2.gz YRQNEQHJTKINNI-YVSFHVDLSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528253 372162780 /nfs/dbraw/zinc/16/27/80/372162780.db2.gz YRQNEQHJTKINNI-YVSFHVDLSA-N 1 3 262.441 3.125 20 0 CGADHO COc1ccc(F)c(CNCCCCC[NH+]2CCCC2)c1 ZINC000292979168 372267187 /nfs/dbraw/zinc/26/71/87/372267187.db2.gz KZNPNFFGRMTNEU-UHFFFAOYSA-N 1 3 294.414 3.190 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc2ccccc2o1 ZINC000344312680 217144955 /nfs/dbraw/zinc/14/49/55/217144955.db2.gz XJBWELDKHSIDFU-ZDUSSCGKSA-N 1 3 270.376 3.345 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000344312680 217144957 /nfs/dbraw/zinc/14/49/57/217144957.db2.gz XJBWELDKHSIDFU-ZDUSSCGKSA-N 1 3 270.376 3.345 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(Cc3cccc4ccccc43)C2)C1 ZINC000428998693 372301959 /nfs/dbraw/zinc/30/19/59/372301959.db2.gz DEYHPLIIQCRRHD-LJQANCHMSA-N 1 3 280.415 3.367 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(Cc3cccc4ccccc43)C2)C1 ZINC000428998693 372301961 /nfs/dbraw/zinc/30/19/61/372301961.db2.gz DEYHPLIIQCRRHD-LJQANCHMSA-N 1 3 280.415 3.367 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000163236458 372454790 /nfs/dbraw/zinc/45/47/90/372454790.db2.gz VNCWDFLDILZKSW-NVXWUHKLSA-N 1 3 288.435 3.140 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000163241240 372456304 /nfs/dbraw/zinc/45/63/04/372456304.db2.gz JNIJAUBXWJEHSZ-STQMWFEESA-N 1 3 296.842 3.341 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(Cl)c1 ZINC000166001906 372561318 /nfs/dbraw/zinc/56/13/18/372561318.db2.gz VKIYWGKZZZPCKB-CJNGLKHVSA-N 1 3 298.858 3.347 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166458915 372574918 /nfs/dbraw/zinc/57/49/18/372574918.db2.gz JRBBCTHWIGTMSZ-JKSUJKDBSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166458915 372574920 /nfs/dbraw/zinc/57/49/20/372574920.db2.gz JRBBCTHWIGTMSZ-JKSUJKDBSA-N 1 3 297.446 3.235 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515548 372577204 /nfs/dbraw/zinc/57/72/04/372577204.db2.gz MIMADFPLIBCCIL-DYVFJYSZSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515548 372577206 /nfs/dbraw/zinc/57/72/06/372577206.db2.gz MIMADFPLIBCCIL-DYVFJYSZSA-N 1 3 276.399 3.351 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000344606645 217247428 /nfs/dbraw/zinc/24/74/28/217247428.db2.gz FIKZDTQZIHWIEJ-SOUVJXGZSA-N 1 3 264.438 3.067 20 0 CGADHO C[C@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114198 372888039 /nfs/dbraw/zinc/88/80/39/372888039.db2.gz DJJBLBFDAKANBC-HZPDHXFCSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114198 372888051 /nfs/dbraw/zinc/88/80/51/372888051.db2.gz DJJBLBFDAKANBC-HZPDHXFCSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114198 372888059 /nfs/dbraw/zinc/88/80/59/372888059.db2.gz DJJBLBFDAKANBC-HZPDHXFCSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000172652131 373004128 /nfs/dbraw/zinc/00/41/28/373004128.db2.gz WTAYKEAVRQEPTA-IEBWSBKVSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000172652131 373004133 /nfs/dbraw/zinc/00/41/33/373004133.db2.gz WTAYKEAVRQEPTA-IEBWSBKVSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@H](CCc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172652131 373004138 /nfs/dbraw/zinc/00/41/38/373004138.db2.gz WTAYKEAVRQEPTA-IEBWSBKVSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@H]1CCC[C@H](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754228 373072910 /nfs/dbraw/zinc/07/29/10/373072910.db2.gz HVCSHRMPYUFZHM-HCMIALLCSA-N 1 3 264.457 3.418 20 0 CGADHO CC(F)(F)CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297287922 373263590 /nfs/dbraw/zinc/26/35/90/373263590.db2.gz AIPKWXYQNVPXCO-UHFFFAOYSA-N 1 3 283.366 3.075 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000445414663 373311329 /nfs/dbraw/zinc/31/13/29/373311329.db2.gz YYVRGRVYZFHSBA-GDBMZVCRSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000445414663 373311342 /nfs/dbraw/zinc/31/13/42/373311342.db2.gz YYVRGRVYZFHSBA-GDBMZVCRSA-N 1 3 252.446 3.085 20 0 CGADHO CCc1ccc([C@H](C)NCC2CC[NH+](C3CC3)CC2)o1 ZINC000447567805 373452216 /nfs/dbraw/zinc/45/22/16/373452216.db2.gz FIQYLPBAFPHUCP-ZDUSSCGKSA-N 1 3 276.424 3.367 20 0 CGADHO CC[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cn1 ZINC000447577011 373455235 /nfs/dbraw/zinc/45/52/35/373455235.db2.gz DYJBMLFSINBCOI-MRXNPFEDSA-N 1 3 291.414 3.136 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448066276 373544847 /nfs/dbraw/zinc/54/48/47/373544847.db2.gz CXMLMEMPTIWRCI-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300408897 373627175 /nfs/dbraw/zinc/62/71/75/373627175.db2.gz QPDUVYDPWUCDEY-CVEARBPZSA-N 1 3 250.430 3.173 20 0 CGADHO C(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300408897 373627182 /nfs/dbraw/zinc/62/71/82/373627182.db2.gz QPDUVYDPWUCDEY-CVEARBPZSA-N 1 3 250.430 3.173 20 0 CGADHO C(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)CC1CCCC1 ZINC000300408897 373627186 /nfs/dbraw/zinc/62/71/86/373627186.db2.gz QPDUVYDPWUCDEY-CVEARBPZSA-N 1 3 250.430 3.173 20 0 CGADHO COCC1CCC([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000449084381 373661141 /nfs/dbraw/zinc/66/11/41/373661141.db2.gz XMLCZPZRYCNECL-OQSMONGASA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374152 373679397 /nfs/dbraw/zinc/67/93/97/373679397.db2.gz KOSQRKMZNKXNTB-PMPSAXMXSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374152 373679403 /nfs/dbraw/zinc/67/94/03/373679403.db2.gz KOSQRKMZNKXNTB-PMPSAXMXSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](CC(C)(C)O)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449448110 373729100 /nfs/dbraw/zinc/72/91/00/373729100.db2.gz FCLFGPCDGHHQMQ-BFYDXBDKSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](CC(C)(C)O)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449448110 373729109 /nfs/dbraw/zinc/72/91/09/373729109.db2.gz FCLFGPCDGHHQMQ-BFYDXBDKSA-N 1 3 296.499 3.169 20 0 CGADHO CC/C=C/C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449451863 373735025 /nfs/dbraw/zinc/73/50/25/373735025.db2.gz DQSICBUBBVPWMU-DHWGOORTSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C/CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449451863 373735036 /nfs/dbraw/zinc/73/50/36/373735036.db2.gz DQSICBUBBVPWMU-DHWGOORTSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C/CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451863 373735044 /nfs/dbraw/zinc/73/50/44/373735044.db2.gz DQSICBUBBVPWMU-DHWGOORTSA-N 1 3 272.436 3.453 20 0 CGADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000178413148 373774948 /nfs/dbraw/zinc/77/49/48/373774948.db2.gz MEHSQFVKNMWMNU-ZDUSSCGKSA-N 1 3 293.480 3.158 20 0 CGADHO CC(C)C[C@@H](C)CN1CCC([NH2+]CC2CC2)CC1 ZINC000302301799 373849924 /nfs/dbraw/zinc/84/99/24/373849924.db2.gz HINBUFZUVMZFGD-CQSZACIVSA-N 1 3 252.446 3.133 20 0 CGADHO CCc1ccc2nccc(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000450229662 374011148 /nfs/dbraw/zinc/01/11/48/374011148.db2.gz DQBJFNGAMYDHQD-UHFFFAOYSA-N 1 3 295.430 3.258 20 0 CGADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000180201874 373977211 /nfs/dbraw/zinc/97/72/11/373977211.db2.gz DGMSAVPRFJBPBE-WBVHZDCISA-N 1 3 294.483 3.188 20 0 CGADHO COC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000180201874 373977217 /nfs/dbraw/zinc/97/72/17/373977217.db2.gz DGMSAVPRFJBPBE-WBVHZDCISA-N 1 3 294.483 3.188 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@H]1CCCCC1(F)F ZINC000450430499 374124010 /nfs/dbraw/zinc/12/40/10/374124010.db2.gz SELKPGHPLPQVIB-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CCCCC1(F)F ZINC000450430499 374124015 /nfs/dbraw/zinc/12/40/15/374124015.db2.gz SELKPGHPLPQVIB-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448623 374135298 /nfs/dbraw/zinc/13/52/98/374135298.db2.gz BSQWIQBNVUFTQQ-HUUCEWRRSA-N 1 3 286.410 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448623 374135304 /nfs/dbraw/zinc/13/53/04/374135304.db2.gz BSQWIQBNVUFTQQ-HUUCEWRRSA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448623 374135309 /nfs/dbraw/zinc/13/53/09/374135309.db2.gz BSQWIQBNVUFTQQ-HUUCEWRRSA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448623 374135316 /nfs/dbraw/zinc/13/53/16/374135316.db2.gz BSQWIQBNVUFTQQ-HUUCEWRRSA-N 1 3 286.410 3.086 20 0 CGADHO CC(C)[C@H](NC[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000310246802 374212177 /nfs/dbraw/zinc/21/21/77/374212177.db2.gz NAGAHBXBRRKIRV-FZMZJTMJSA-N 1 3 254.805 3.222 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1cnc2ccsc2c1)CN(C)C ZINC000311561987 374247835 /nfs/dbraw/zinc/24/78/35/374247835.db2.gz SEMIOTGOVAZURN-VXGBXAGGSA-N 1 3 277.437 3.145 20 0 CGADHO COc1ccc2ccccc2c1C[NH2+]C[C@H](C)CN(C)C ZINC000314009638 374311487 /nfs/dbraw/zinc/31/14/87/374311487.db2.gz NKICYOADTIMDNQ-AWEZNQCLSA-N 1 3 286.419 3.136 20 0 CGADHO CC[C@@H](C)[C@@H](C)NCC1(C[NH2+][C@@H](C)[C@@H](C)CC)COC1 ZINC000183064182 374365777 /nfs/dbraw/zinc/36/57/77/374365777.db2.gz XLUGZRQRZGWLSR-GEEKYZPCSA-N 1 3 284.488 3.051 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH2+]CC1(CN[C@@H](C)[C@@H](C)CC)COC1 ZINC000183064182 374365782 /nfs/dbraw/zinc/36/57/82/374365782.db2.gz XLUGZRQRZGWLSR-GEEKYZPCSA-N 1 3 284.488 3.051 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453303809 374404959 /nfs/dbraw/zinc/40/49/59/374404959.db2.gz DFGHIBMQMBASBD-UXLLHSPISA-N 1 3 290.451 3.324 20 0 CGADHO Fc1ccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453345438 374437216 /nfs/dbraw/zinc/43/72/16/374437216.db2.gz JZTBCGZVUBHAQC-IRXDYDNUSA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453345438 374437219 /nfs/dbraw/zinc/43/72/19/374437219.db2.gz JZTBCGZVUBHAQC-IRXDYDNUSA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000453345438 374437223 /nfs/dbraw/zinc/43/72/23/374437223.db2.gz JZTBCGZVUBHAQC-IRXDYDNUSA-N 1 3 288.410 3.117 20 0 CGADHO CCc1ccc(CC[N@@H+]2CC[C@@H](CN(C)CC)C2)cc1 ZINC000464789971 374902535 /nfs/dbraw/zinc/90/25/35/374902535.db2.gz HWUNXXPHLJQDOU-SFHVURJKSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccc(CC[N@H+]2CC[C@@H](CN(C)CC)C2)cc1 ZINC000464789971 374902530 /nfs/dbraw/zinc/90/25/30/374902530.db2.gz HWUNXXPHLJQDOU-SFHVURJKSA-N 1 3 274.452 3.065 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528217 541987482 /nfs/dbraw/zinc/98/74/82/541987482.db2.gz GWAGZXQAVXMWGB-GUYCJALGSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528217 541987485 /nfs/dbraw/zinc/98/74/85/541987485.db2.gz GWAGZXQAVXMWGB-GUYCJALGSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCC12CCCC2)CN1CCCCC1 ZINC000474048995 375074217 /nfs/dbraw/zinc/07/42/17/375074217.db2.gz ZBTUJKMWKZKMFK-HOTGVXAUSA-N 1 3 264.457 3.421 20 0 CGADHO Clc1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCS2 ZINC000335058786 375097107 /nfs/dbraw/zinc/09/71/07/375097107.db2.gz KGOPKCDESQCGNB-AWEZNQCLSA-N 1 3 294.851 3.386 20 0 CGADHO CCc1cccc(Cl)c1C[NH2+]C1CCN(CC)CC1 ZINC000474351753 375100259 /nfs/dbraw/zinc/10/02/59/375100259.db2.gz CGQOYEQHVNSYBN-UHFFFAOYSA-N 1 3 280.843 3.476 20 0 CGADHO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000475125615 375130083 /nfs/dbraw/zinc/13/00/83/375130083.db2.gz UMXKYOFVMWGRPW-JKSUJKDBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCC[C@@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000475125615 375130093 /nfs/dbraw/zinc/13/00/93/375130093.db2.gz UMXKYOFVMWGRPW-JKSUJKDBSA-N 1 3 264.457 3.373 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000188693869 375256482 /nfs/dbraw/zinc/25/64/82/375256482.db2.gz VGHPNCOYEIPNQY-WBVHZDCISA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000188693869 375256486 /nfs/dbraw/zinc/25/64/86/375256486.db2.gz VGHPNCOYEIPNQY-WBVHZDCISA-N 1 3 296.499 3.434 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NC1CC(c2ccccc2)C1 ZINC000335561726 375330749 /nfs/dbraw/zinc/33/07/49/375330749.db2.gz QQYWODCKRJBMAO-BHUNQDJPSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)CN(C)C ZINC000491562640 375331176 /nfs/dbraw/zinc/33/11/76/375331176.db2.gz XPVWRXVHFLZHQW-OLZOCXBDSA-N 1 3 268.832 3.058 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335757349 375404793 /nfs/dbraw/zinc/40/47/93/375404793.db2.gz IRIKNSIHYJTGGC-YOEHRIQHSA-N 1 3 283.419 3.116 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc2cccnc12 ZINC000335757349 375404796 /nfs/dbraw/zinc/40/47/96/375404796.db2.gz IRIKNSIHYJTGGC-YOEHRIQHSA-N 1 3 283.419 3.116 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000190204777 375484086 /nfs/dbraw/zinc/48/40/86/375484086.db2.gz RSTVFGUVDGYKBI-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000190204777 375484090 /nfs/dbraw/zinc/48/40/90/375484090.db2.gz RSTVFGUVDGYKBI-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO COc1cccc(F)c1[C@@H](C)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000122527980 542024568 /nfs/dbraw/zinc/02/45/68/542024568.db2.gz PLWGOQQBKJHHSU-QWHCGFSZSA-N 1 3 294.414 3.215 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2conc2CC)CC1 ZINC000507216121 375689179 /nfs/dbraw/zinc/68/91/79/375689179.db2.gz UOAAEBKSQCEQSM-UHFFFAOYSA-N 1 3 293.455 3.181 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2conc2CC)CC1 ZINC000507216121 375689183 /nfs/dbraw/zinc/68/91/83/375689183.db2.gz UOAAEBKSQCEQSM-UHFFFAOYSA-N 1 3 293.455 3.181 20 0 CGADHO CC[C@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000125270358 542036855 /nfs/dbraw/zinc/03/68/55/542036855.db2.gz IMGAJLGYUGBNFJ-GOSISDBHSA-N 1 3 281.403 3.355 20 0 CGADHO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000507367276 375698503 /nfs/dbraw/zinc/69/85/03/375698503.db2.gz KQNSRSYBGWCMBI-AWEZNQCLSA-N 1 3 280.843 3.422 20 0 CGADHO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000507367276 375698510 /nfs/dbraw/zinc/69/85/10/375698510.db2.gz KQNSRSYBGWCMBI-AWEZNQCLSA-N 1 3 280.843 3.422 20 0 CGADHO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc2c1CCNC2 ZINC000124015348 542029780 /nfs/dbraw/zinc/02/97/80/542029780.db2.gz RAZINHMLOOVMJD-BBRMVZONSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc2c1CCNC2 ZINC000124015348 542029783 /nfs/dbraw/zinc/02/97/83/542029783.db2.gz RAZINHMLOOVMJD-BBRMVZONSA-N 1 3 258.409 3.095 20 0 CGADHO Cc1c[nH+]ccc1NCCCN1CCc2ccccc2C1 ZINC000192486637 375756106 /nfs/dbraw/zinc/75/61/06/375756106.db2.gz IHEVBHKAGWKRME-UHFFFAOYSA-N 1 3 281.403 3.250 20 0 CGADHO Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC000192779145 375787625 /nfs/dbraw/zinc/78/76/25/375787625.db2.gz BZWHVILWJGOOSG-ALOPSCKCSA-N 1 3 272.436 3.327 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000194066092 375956848 /nfs/dbraw/zinc/95/68/48/375956848.db2.gz GJTUWMCTIOIEJT-BRWVUGGUSA-N 1 3 294.483 3.043 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CNC[C@@H]2CCC=CO2)c1 ZINC000194277380 375978229 /nfs/dbraw/zinc/97/82/29/375978229.db2.gz KAIRKCZXZUMXMP-SFHVURJKSA-N 1 3 288.435 3.309 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CNC[C@@H]2CCC=CO2)c1 ZINC000194277380 375978233 /nfs/dbraw/zinc/97/82/33/375978233.db2.gz KAIRKCZXZUMXMP-SFHVURJKSA-N 1 3 288.435 3.309 20 0 CGADHO CC[N@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000211941278 376137308 /nfs/dbraw/zinc/13/73/08/376137308.db2.gz PHXFELQDCCTBTF-UHFFFAOYSA-N 1 3 272.436 3.487 20 0 CGADHO CC[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000211941278 376137314 /nfs/dbraw/zinc/13/73/14/376137314.db2.gz PHXFELQDCCTBTF-UHFFFAOYSA-N 1 3 272.436 3.487 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536857839 376137309 /nfs/dbraw/zinc/13/73/09/376137309.db2.gz MNUDLFUJGUPQIP-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO COc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)c2ccccc12 ZINC000215977379 376155278 /nfs/dbraw/zinc/15/52/78/376155278.db2.gz JSWATYFYSMBKSK-KGLIPLIRSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@@H+]2C[C@H](CN)C[C@H]2C)c2ccccc12 ZINC000215977379 376155295 /nfs/dbraw/zinc/15/52/95/376155295.db2.gz JSWATYFYSMBKSK-KGLIPLIRSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@H+]2C[C@H](CN)C[C@H]2C)c2ccccc12 ZINC000215977379 376155299 /nfs/dbraw/zinc/15/52/99/376155299.db2.gz JSWATYFYSMBKSK-KGLIPLIRSA-N 1 3 284.403 3.018 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc(C)c1F ZINC000537304703 376160583 /nfs/dbraw/zinc/16/05/83/376160583.db2.gz SUNYLEXGPRMPQL-CQSZACIVSA-N 1 3 276.399 3.355 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000337412199 376220604 /nfs/dbraw/zinc/22/06/04/376220604.db2.gz WQZZTYBENDLCML-DZGCQCFKSA-N 1 3 282.472 3.090 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN(C)C(C)C)CC2 ZINC000221922244 376222761 /nfs/dbraw/zinc/22/27/61/376222761.db2.gz CGKVEUPOUAURBJ-QGZVFWFLSA-N 1 3 260.425 3.302 20 0 CGADHO COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000540152256 376360959 /nfs/dbraw/zinc/36/09/59/376360959.db2.gz TURJIFSWRIIBOO-DLBZAZTESA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@@H](CC(C)C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000540152256 376360966 /nfs/dbraw/zinc/36/09/66/376360966.db2.gz TURJIFSWRIIBOO-DLBZAZTESA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@@H](CC(C)C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152256 376360971 /nfs/dbraw/zinc/36/09/71/376360971.db2.gz TURJIFSWRIIBOO-DLBZAZTESA-N 1 3 284.488 3.005 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000540605692 376385787 /nfs/dbraw/zinc/38/57/87/376385787.db2.gz JBVKPBVODWKJTM-DLBZAZTESA-N 1 3 264.457 3.443 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]CC1=CCN(C)CC1 ZINC000540645648 376388109 /nfs/dbraw/zinc/38/81/09/376388109.db2.gz YIPKPALAWFXYNY-UHFFFAOYSA-N 1 3 278.827 3.308 20 0 CGADHO C[C@@H]([NH2+]CCOCCN(C)C)c1cccc2ccccc21 ZINC000231787024 376573222 /nfs/dbraw/zinc/57/32/22/376573222.db2.gz WTZHURXAIXXJHN-OAHLLOKOSA-N 1 3 286.419 3.069 20 0 CGADHO CSCCCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000235181026 376633917 /nfs/dbraw/zinc/63/39/17/376633917.db2.gz ZYNKXBOJCFQLPK-CABCVRRESA-N 1 3 264.438 3.254 20 0 CGADHO COCCC[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000264661442 190126646 /nfs/dbraw/zinc/12/66/46/190126646.db2.gz LZOARKVTDBKMIH-UHFFFAOYSA-N 1 3 299.418 3.148 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505485 376834962 /nfs/dbraw/zinc/83/49/62/376834962.db2.gz MFFQDQLCQZRMIC-INMHGKMJSA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505485 376834973 /nfs/dbraw/zinc/83/49/73/376834973.db2.gz MFFQDQLCQZRMIC-INMHGKMJSA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505485 376834985 /nfs/dbraw/zinc/83/49/85/376834985.db2.gz MFFQDQLCQZRMIC-INMHGKMJSA-N 1 3 272.436 3.475 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757931 376902437 /nfs/dbraw/zinc/90/24/37/376902437.db2.gz PAXRSIVEYHCAHN-CVEARBPZSA-N 1 3 250.430 3.006 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757931 376902439 /nfs/dbraw/zinc/90/24/39/376902439.db2.gz PAXRSIVEYHCAHN-CVEARBPZSA-N 1 3 250.430 3.006 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C23CCCC3)C1 ZINC000245935655 376938769 /nfs/dbraw/zinc/93/87/69/376938769.db2.gz TXPILVMUFXIMHP-IKGGRYGDSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]1CN(CCCC[NH2+]CC2CCCCCC2)C[C@H](C)O1 ZINC000557732090 376954337 /nfs/dbraw/zinc/95/43/37/376954337.db2.gz LVAVYWUOTZFDAQ-IRXDYDNUSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](CN1[C@H](C)CC[C@@H]1C)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000246460326 377034379 /nfs/dbraw/zinc/03/43/79/377034379.db2.gz FWDSHMKXJVAMFU-QMHWVQJVSA-N 1 3 252.446 3.368 20 0 CGADHO C[C@H](CN1[C@@H](C)CC[C@@H]1C)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246460326 377034384 /nfs/dbraw/zinc/03/43/84/377034384.db2.gz FWDSHMKXJVAMFU-QMHWVQJVSA-N 1 3 252.446 3.368 20 0 CGADHO C[C@H](CN1[C@@H](C)CC[C@@H]1C)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246460326 377034390 /nfs/dbraw/zinc/03/43/90/377034390.db2.gz FWDSHMKXJVAMFU-QMHWVQJVSA-N 1 3 252.446 3.368 20 0 CGADHO COc1cccc([C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000246471932 377037871 /nfs/dbraw/zinc/03/78/71/377037871.db2.gz GXQLLHKPHNIPGT-GJZGRUSLSA-N 1 3 276.424 3.030 20 0 CGADHO COc1cccc([C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000246471932 377037875 /nfs/dbraw/zinc/03/78/75/377037875.db2.gz GXQLLHKPHNIPGT-GJZGRUSLSA-N 1 3 276.424 3.030 20 0 CGADHO CC(C)[C@@H](Cn1cccn1)NCCC[NH+](C(C)C)C(C)C ZINC000340518911 377115589 /nfs/dbraw/zinc/11/55/89/377115589.db2.gz JXGDNBSNHJUTDP-QGZVFWFLSA-N 1 3 294.487 3.006 20 0 CGADHO C[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)CN(C)C ZINC000559136292 377067534 /nfs/dbraw/zinc/06/75/34/377067534.db2.gz QQEBZTDWUWAMFA-PBHICJAKSA-N 1 3 260.425 3.315 20 0 CGADHO C[C@H](CN[C@@H](CC1CC1)c1ccccc1)C[NH+](C)C ZINC000559136292 377067546 /nfs/dbraw/zinc/06/75/46/377067546.db2.gz QQEBZTDWUWAMFA-PBHICJAKSA-N 1 3 260.425 3.315 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000340502392 377106963 /nfs/dbraw/zinc/10/69/63/377106963.db2.gz SSXCQMKPBNBIBT-XDNAFOTISA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000340502392 377106971 /nfs/dbraw/zinc/10/69/71/377106971.db2.gz SSXCQMKPBNBIBT-XDNAFOTISA-N 1 3 270.420 3.007 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992433 377134883 /nfs/dbraw/zinc/13/48/83/377134883.db2.gz KHCKSYIPTYLDQK-HBUWYVDXSA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992433 377134888 /nfs/dbraw/zinc/13/48/88/377134888.db2.gz KHCKSYIPTYLDQK-HBUWYVDXSA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992433 377134896 /nfs/dbraw/zinc/13/48/96/377134896.db2.gz KHCKSYIPTYLDQK-HBUWYVDXSA-N 1 3 290.426 3.381 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000247085145 377158721 /nfs/dbraw/zinc/15/87/21/377158721.db2.gz REIOQOOMCZKCKL-CVEARBPZSA-N 1 3 290.451 3.466 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000247183500 377172318 /nfs/dbraw/zinc/17/23/18/377172318.db2.gz UXUKUIOPRARSND-XJKSGUPXSA-N 1 3 264.388 3.160 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000247183500 377172325 /nfs/dbraw/zinc/17/23/25/377172325.db2.gz UXUKUIOPRARSND-XJKSGUPXSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247982154 377253923 /nfs/dbraw/zinc/25/39/23/377253923.db2.gz ILFZCCIHJRSJBV-QRQLOZEOSA-N 1 3 286.463 3.424 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247982154 377253931 /nfs/dbraw/zinc/25/39/31/377253931.db2.gz ILFZCCIHJRSJBV-QRQLOZEOSA-N 1 3 286.463 3.424 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000248173689 377276767 /nfs/dbraw/zinc/27/67/67/377276767.db2.gz VFASIYSHAFSELD-LBTNJELSSA-N 1 3 290.426 3.381 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000248173689 377276773 /nfs/dbraw/zinc/27/67/73/377276773.db2.gz VFASIYSHAFSELD-LBTNJELSSA-N 1 3 290.426 3.381 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367407 377294631 /nfs/dbraw/zinc/29/46/31/377294631.db2.gz UAKWVYMINKGFBZ-GUYCJALGSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367407 377294635 /nfs/dbraw/zinc/29/46/35/377294635.db2.gz UAKWVYMINKGFBZ-GUYCJALGSA-N 1 3 276.399 3.087 20 0 CGADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248399830 377309025 /nfs/dbraw/zinc/30/90/25/377309025.db2.gz KIRUOAJBNHFFLU-KZNAEPCWSA-N 1 3 272.436 3.287 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000249381188 377496590 /nfs/dbraw/zinc/49/65/90/377496590.db2.gz RMYFFALFEKTQJE-ZIAGYGMSSA-N 1 3 278.465 3.401 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000249379510 377497630 /nfs/dbraw/zinc/49/76/30/377497630.db2.gz PFELLGLQWJVJTP-CVEARBPZSA-N 1 3 290.451 3.466 20 0 CGADHO [NH3+]C1CCC(NCc2c(Cl)oc3ccccc32)CC1 ZINC000164473168 542171165 /nfs/dbraw/zinc/17/11/65/542171165.db2.gz ZRHRCAZLURFTOM-UHFFFAOYSA-N 1 3 278.783 3.446 20 0 CGADHO Cc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1F ZINC000092381109 249032645 /nfs/dbraw/zinc/03/26/45/249032645.db2.gz GLTAWJQQJSQXST-UHFFFAOYSA-N 1 3 278.415 3.298 20 0 CGADHO CC(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000093490857 249037829 /nfs/dbraw/zinc/03/78/29/249037829.db2.gz SONWDVKUODEXSM-HRCADAONSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccs1 ZINC000037644215 249002839 /nfs/dbraw/zinc/00/28/39/249002839.db2.gz IZMPJXOOCRLFQB-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000037644215 249002841 /nfs/dbraw/zinc/00/28/41/249002841.db2.gz IZMPJXOOCRLFQB-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644215 249002843 /nfs/dbraw/zinc/00/28/43/249002843.db2.gz IZMPJXOOCRLFQB-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000313069723 249085339 /nfs/dbraw/zinc/08/53/39/249085339.db2.gz IJBSKUHSBMKIJH-KFWWJZLASA-N 1 3 250.430 3.077 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000165993462 542173752 /nfs/dbraw/zinc/17/37/52/542173752.db2.gz PJPJBJRBCURSBE-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000165993462 542173754 /nfs/dbraw/zinc/17/37/54/542173754.db2.gz PJPJBJRBCURSBE-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO Cc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc(C)c1OC(F)F ZINC000469865556 249160305 /nfs/dbraw/zinc/16/03/05/249160305.db2.gz VVYUSIPPZDMXNZ-GXTWGEPZSA-N 1 3 298.377 3.074 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251422871 377582829 /nfs/dbraw/zinc/58/28/29/377582829.db2.gz QFEOKHVJPQNRCM-XHSDSOJGSA-N 1 3 252.446 3.418 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CCCC1 ZINC000251473639 377582877 /nfs/dbraw/zinc/58/28/77/377582877.db2.gz WBSSPXSHBCTTQT-ARFHVFGLSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251250798 377578148 /nfs/dbraw/zinc/57/81/48/377578148.db2.gz UMHICYOAQNAMRV-NAZJXLNTSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]1CCC[C@@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859884 377600537 /nfs/dbraw/zinc/60/05/37/377600537.db2.gz PTMSPQZMIRBYLN-YFVFXCHESA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCCC1(C)C ZINC000252130641 377616426 /nfs/dbraw/zinc/61/64/26/377616426.db2.gz KTGALHKIRBAQGJ-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000252177398 377617339 /nfs/dbraw/zinc/61/73/39/377617339.db2.gz SGMPCEDTIXWXND-NPJQDHAYSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000252696410 377651715 /nfs/dbraw/zinc/65/17/15/377651715.db2.gz AATZSIBHEJZWPU-UTUOFQBUSA-N 1 3 284.350 3.018 20 0 CGADHO Cc1cc(CN[C@](C)(C[NH3+])C(C)C)c2ccccc2n1 ZINC000261646110 377832430 /nfs/dbraw/zinc/83/24/30/377832430.db2.gz CVDVXPXXRMIYBY-QGZVFWFLSA-N 1 3 271.408 3.006 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000262011029 377877749 /nfs/dbraw/zinc/87/77/49/377877749.db2.gz VCBFQXCENNEPAU-RTBURBONSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000262011029 377877754 /nfs/dbraw/zinc/87/77/54/377877754.db2.gz VCBFQXCENNEPAU-RTBURBONSA-N 1 3 286.463 3.331 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183370542 542231084 /nfs/dbraw/zinc/23/10/84/542231084.db2.gz WEHDDBKFYZADNG-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183370542 542231089 /nfs/dbraw/zinc/23/10/89/542231089.db2.gz WEHDDBKFYZADNG-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CC[N@H+](C[C@@H](C)c1ccccc1)[C@H]1CCCNCC1 ZINC000262037072 377881692 /nfs/dbraw/zinc/88/16/92/377881692.db2.gz XVCZNNIVWZIJQW-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO CC[N@@H+](C[C@@H](C)c1ccccc1)[C@H]1CCCNCC1 ZINC000262037072 377881700 /nfs/dbraw/zinc/88/17/00/377881700.db2.gz XVCZNNIVWZIJQW-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@@]1(C)CC[NH2+]C1 ZINC000262080980 377884603 /nfs/dbraw/zinc/88/46/03/377884603.db2.gz TWALGEPEBHYBQA-UNEWFSDZSA-N 1 3 276.399 3.003 20 0 CGADHO CCCN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000262089187 377887170 /nfs/dbraw/zinc/88/71/70/377887170.db2.gz UPIPHJOTHQTQDF-MSOLQXFVSA-N 1 3 272.436 3.386 20 0 CGADHO Cc1nc(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)sc1C ZINC000578348218 378060309 /nfs/dbraw/zinc/06/03/09/378060309.db2.gz ZFCMHFWUFRLMSO-CABCVRRESA-N 1 3 287.432 3.037 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000577964017 378026610 /nfs/dbraw/zinc/02/66/10/378026610.db2.gz WLQMCYTXXBNAEC-CVEARBPZSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000577964017 378026613 /nfs/dbraw/zinc/02/66/13/378026613.db2.gz WLQMCYTXXBNAEC-CVEARBPZSA-N 1 3 274.452 3.441 20 0 CGADHO CSc1cc(C)ccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000579024323 378123959 /nfs/dbraw/zinc/12/39/59/378123959.db2.gz FYEXABJOPCKTNH-KGLIPLIRSA-N 1 3 264.438 3.076 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCOC ZINC000484309366 284686291 /nfs/dbraw/zinc/68/62/91/284686291.db2.gz OAKIWHGSHDOJRR-ULQDDVLXSA-N 1 3 284.488 3.292 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000579181202 378137693 /nfs/dbraw/zinc/13/76/93/378137693.db2.gz WBEWMSCRFUBNCJ-INIZCTEOSA-N 1 3 286.463 3.065 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000579181202 378137699 /nfs/dbraw/zinc/13/76/99/378137699.db2.gz WBEWMSCRFUBNCJ-INIZCTEOSA-N 1 3 286.463 3.065 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000579181202 378137701 /nfs/dbraw/zinc/13/77/01/378137701.db2.gz WBEWMSCRFUBNCJ-INIZCTEOSA-N 1 3 286.463 3.065 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000579181202 378137707 /nfs/dbraw/zinc/13/77/07/378137707.db2.gz WBEWMSCRFUBNCJ-INIZCTEOSA-N 1 3 286.463 3.065 20 0 CGADHO C[C@@H](C[N@H+](C)CCCN)c1ccc(C(F)(F)F)cc1 ZINC000579354351 378152320 /nfs/dbraw/zinc/15/23/20/378152320.db2.gz ZLWJQSODNYANGC-NSHDSACASA-N 1 3 274.330 3.090 20 0 CGADHO C[C@@H](C[N@@H+](C)CCCN)c1ccc(C(F)(F)F)cc1 ZINC000579354351 378152323 /nfs/dbraw/zinc/15/23/23/378152323.db2.gz ZLWJQSODNYANGC-NSHDSACASA-N 1 3 274.330 3.090 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000578738331 378097150 /nfs/dbraw/zinc/09/71/50/378097150.db2.gz HQSXMMCXAFQZHA-IAGOWNOFSA-N 1 3 260.425 3.302 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000578738331 378097156 /nfs/dbraw/zinc/09/71/56/378097156.db2.gz HQSXMMCXAFQZHA-IAGOWNOFSA-N 1 3 260.425 3.302 20 0 CGADHO Cc1cccc(C[C@H](NCCC[NH2+]C(C)C)C2CC2)c1 ZINC000578857636 378106357 /nfs/dbraw/zinc/10/63/57/378106357.db2.gz NMMRYLWNBFWYBD-SFHVURJKSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]CCCNC(C)C)C2CC2)c1 ZINC000578857636 378106362 /nfs/dbraw/zinc/10/63/62/378106362.db2.gz NMMRYLWNBFWYBD-SFHVURJKSA-N 1 3 274.452 3.294 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cc(Cl)cc2cccnc21 ZINC000579834197 378200204 /nfs/dbraw/zinc/20/02/04/378200204.db2.gz PXUNUYJWCMTBOE-MNOVXSKESA-N 1 3 277.799 3.104 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000580062899 378221006 /nfs/dbraw/zinc/22/10/06/378221006.db2.gz ZLIFWPAPHHBSJU-DMVWFOPNSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CCCNC1 ZINC000580062899 378221012 /nfs/dbraw/zinc/22/10/12/378221012.db2.gz ZLIFWPAPHHBSJU-DMVWFOPNSA-N 1 3 294.389 3.189 20 0 CGADHO Cc1ccc(CSCCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000579494024 378166904 /nfs/dbraw/zinc/16/69/04/378166904.db2.gz DDJNAXJCLGJGMK-CVEARBPZSA-N 1 3 278.465 3.088 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000580963184 378272574 /nfs/dbraw/zinc/27/25/74/378272574.db2.gz OTRYBWKLYLJOGC-ORQFMDKSSA-N 1 3 276.399 3.321 20 0 CGADHO CCN(Cc1cccc(F)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580205956 378231944 /nfs/dbraw/zinc/23/19/44/378231944.db2.gz JMEBKMZERDOCHZ-UHFFFAOYSA-N 1 3 298.405 3.494 20 0 CGADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000582387710 378309845 /nfs/dbraw/zinc/30/98/45/378309845.db2.gz IYZUZGFHDRIIAF-CRAIPNDOSA-N 1 3 290.451 3.247 20 0 CGADHO CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000582387710 378309849 /nfs/dbraw/zinc/30/98/49/378309849.db2.gz IYZUZGFHDRIIAF-CRAIPNDOSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)SCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595508633 378401838 /nfs/dbraw/zinc/40/18/38/378401838.db2.gz IEOIKMIFUXAUPR-UHFFFAOYSA-N 1 3 292.492 3.382 20 0 CGADHO C[N@H+]1CC=C(CNCc2ccccc2C(F)(F)F)CC1 ZINC000271788313 378504479 /nfs/dbraw/zinc/50/44/79/378504479.db2.gz GEYYCJSBCFWFFA-UHFFFAOYSA-N 1 3 284.325 3.057 20 0 CGADHO C[N@@H+]1CC=C(CNCc2ccccc2C(F)(F)F)CC1 ZINC000271788313 378504483 /nfs/dbraw/zinc/50/44/83/378504483.db2.gz GEYYCJSBCFWFFA-UHFFFAOYSA-N 1 3 284.325 3.057 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@H]2NCC1=CC[N@H+](C)CC1 ZINC000271875103 378510638 /nfs/dbraw/zinc/51/06/38/378510638.db2.gz NZEWEDKTPVAHRQ-QGZVFWFLSA-N 1 3 286.419 3.060 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@H]2NCC1=CC[N@@H+](C)CC1 ZINC000271875103 378510641 /nfs/dbraw/zinc/51/06/41/378510641.db2.gz NZEWEDKTPVAHRQ-QGZVFWFLSA-N 1 3 286.419 3.060 20 0 CGADHO C[C@H]([NH2+]Cc1cccn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272188303 378580586 /nfs/dbraw/zinc/58/05/86/378580586.db2.gz LQDQXARFWVQFEC-WMZOPIPTSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC3(C)C)CC2)C1 ZINC000346564010 378623263 /nfs/dbraw/zinc/62/32/63/378623263.db2.gz LOMCTVXDGTXUNI-KBMXLJTQSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC3(C)C)CC2)C1 ZINC000346564010 378623268 /nfs/dbraw/zinc/62/32/68/378623268.db2.gz LOMCTVXDGTXUNI-KBMXLJTQSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)CCOc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346648257 378661880 /nfs/dbraw/zinc/66/18/80/378661880.db2.gz PDEIPAINBYCVKU-RDJZCZTQSA-N 1 3 290.451 3.281 20 0 CGADHO CCCCOc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346680818 378673398 /nfs/dbraw/zinc/67/33/98/378673398.db2.gz MTBPUVMOJYHVCY-HOCLYGCPSA-N 1 3 276.424 3.035 20 0 CGADHO CC(C)C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccn1 ZINC000272502996 378651720 /nfs/dbraw/zinc/65/17/20/378651720.db2.gz DWEWYSGDJZUDEN-KRWDZBQOSA-N 1 3 289.467 3.490 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638134239 378712935 /nfs/dbraw/zinc/71/29/35/378712935.db2.gz MXSWONWNNKBOCD-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638134239 378712942 /nfs/dbraw/zinc/71/29/42/378712942.db2.gz MXSWONWNNKBOCD-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CCCC[NH+]1CCC(NC[C@H](OC)C2CCCC2)CC1 ZINC000638430077 378801288 /nfs/dbraw/zinc/80/12/88/378801288.db2.gz OXEDLHKHVVOOAR-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346848495 218035857 /nfs/dbraw/zinc/03/58/57/218035857.db2.gz DVNYGEJDBYVRJA-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346848495 218035859 /nfs/dbraw/zinc/03/58/59/218035859.db2.gz DVNYGEJDBYVRJA-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)CN1CCCC1 ZINC000348242153 378859144 /nfs/dbraw/zinc/85/91/44/378859144.db2.gz KITRBVJXBWIFLQ-NJAFHUGGSA-N 1 3 272.436 3.112 20 0 CGADHO Cc1cc(NC[C@H](c2ccsc2)N(C)C)cc[nH+]1 ZINC000274778164 378893944 /nfs/dbraw/zinc/89/39/44/378893944.db2.gz UNSGSPLYUUSOOB-CQSZACIVSA-N 1 3 261.394 3.166 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CCCNC1 ZINC000347016836 218092379 /nfs/dbraw/zinc/09/23/79/218092379.db2.gz ZFLGLNOCRXUWFX-YCPHGPKFSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCCNC1 ZINC000347016836 218092381 /nfs/dbraw/zinc/09/23/81/218092381.db2.gz ZFLGLNOCRXUWFX-YCPHGPKFSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H]1CCC[NH2+]C1 ZINC000347016836 218092383 /nfs/dbraw/zinc/09/23/83/218092383.db2.gz ZFLGLNOCRXUWFX-YCPHGPKFSA-N 1 3 276.399 3.003 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000347059542 218107938 /nfs/dbraw/zinc/10/79/38/218107938.db2.gz XJJWRXLALUZFPY-GFCCVEGCSA-N 1 3 290.407 3.335 20 0 CGADHO CC[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)OC ZINC000638973222 378963181 /nfs/dbraw/zinc/96/31/81/378963181.db2.gz YOTNSPPOASZQRF-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638973222 378963187 /nfs/dbraw/zinc/96/31/87/378963187.db2.gz YOTNSPPOASZQRF-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973222 378963191 /nfs/dbraw/zinc/96/31/91/378963191.db2.gz YOTNSPPOASZQRF-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)COc1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000347024425 218096913 /nfs/dbraw/zinc/09/69/13/218096913.db2.gz RBUOFSRJMUIKIN-HNNXBMFYSA-N 1 3 290.451 3.281 20 0 CGADHO CCC[N@H+](Cc1ccc(OC)c(Cl)c1)C1CCNCC1 ZINC000347120913 218129278 /nfs/dbraw/zinc/12/92/78/218129278.db2.gz WEGJEXRUKKEFIT-UHFFFAOYSA-N 1 3 296.842 3.313 20 0 CGADHO CCC[N@@H+](Cc1ccc(OC)c(Cl)c1)C1CCNCC1 ZINC000347120913 218129281 /nfs/dbraw/zinc/12/92/81/218129281.db2.gz WEGJEXRUKKEFIT-UHFFFAOYSA-N 1 3 296.842 3.313 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211862 218156911 /nfs/dbraw/zinc/15/69/11/218156911.db2.gz PGZXLDTVHXUKPB-QAPCUYQASA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003325 379043223 /nfs/dbraw/zinc/04/32/23/379043223.db2.gz ASSAGBNZAPFWEE-VNHYZAJKSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003325 379043229 /nfs/dbraw/zinc/04/32/29/379043229.db2.gz ASSAGBNZAPFWEE-VNHYZAJKSA-N 1 3 296.842 3.180 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277103533 379070660 /nfs/dbraw/zinc/07/06/60/379070660.db2.gz GRKJWNDNNVXEPM-JKSUJKDBSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277103533 379070669 /nfs/dbraw/zinc/07/06/69/379070669.db2.gz GRKJWNDNNVXEPM-JKSUJKDBSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277103533 379070674 /nfs/dbraw/zinc/07/06/74/379070674.db2.gz GRKJWNDNNVXEPM-JKSUJKDBSA-N 1 3 260.425 3.472 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169593 379090041 /nfs/dbraw/zinc/09/00/41/379090041.db2.gz GQFHJDMJOSCETD-NBMJBFSESA-N 1 3 286.463 3.499 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1C[C@@H]1C ZINC000348971240 379126987 /nfs/dbraw/zinc/12/69/87/379126987.db2.gz XYGDHRIEJJZBGB-WMLDXEAASA-N 1 3 260.425 3.226 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1C[C@@H]1C ZINC000348971240 379126993 /nfs/dbraw/zinc/12/69/93/379126993.db2.gz XYGDHRIEJJZBGB-WMLDXEAASA-N 1 3 260.425 3.226 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277318898 379128888 /nfs/dbraw/zinc/12/88/88/379128888.db2.gz VAKTVBLQFIFDIP-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277318898 379128897 /nfs/dbraw/zinc/12/88/97/379128897.db2.gz VAKTVBLQFIFDIP-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277318898 379128908 /nfs/dbraw/zinc/12/89/08/379128908.db2.gz VAKTVBLQFIFDIP-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000371126401 379111902 /nfs/dbraw/zinc/11/19/02/379111902.db2.gz GJTUWMCTIOIEJT-GVDBMIGSSA-N 1 3 294.483 3.043 20 0 CGADHO CCN(CCOC)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000349861604 379425954 /nfs/dbraw/zinc/42/59/54/379425954.db2.gz QCUVWVYZONMFPW-UHFFFAOYSA-N 1 3 292.467 3.113 20 0 CGADHO CCN(CCOC)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000349861604 379425960 /nfs/dbraw/zinc/42/59/60/379425960.db2.gz QCUVWVYZONMFPW-UHFFFAOYSA-N 1 3 292.467 3.113 20 0 CGADHO Cc1ncccc1CN(C)CCCC[NH+]1CCCCC1 ZINC000640533342 379819608 /nfs/dbraw/zinc/81/96/08/379819608.db2.gz FOSRFYAEMZRYMU-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1cccc(F)c1F)C2 ZINC000353152832 380142136 /nfs/dbraw/zinc/14/21/36/380142136.db2.gz JAXRZZZIVHZFKM-YIONKMFJSA-N 1 3 294.389 3.064 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1cccc(F)c1F)C2 ZINC000353152832 380142143 /nfs/dbraw/zinc/14/21/43/380142143.db2.gz JAXRZZZIVHZFKM-YIONKMFJSA-N 1 3 294.389 3.064 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097657 380188659 /nfs/dbraw/zinc/18/86/59/380188659.db2.gz IJZZSXPXEQDEMJ-QLFBSQMISA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000414097657 380188669 /nfs/dbraw/zinc/18/86/69/380188669.db2.gz IJZZSXPXEQDEMJ-QLFBSQMISA-N 1 3 276.424 3.137 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000643474078 380317680 /nfs/dbraw/zinc/31/76/80/380317680.db2.gz UJEWCVZBFLQOKP-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO c1ccc([C@H]2CCCC[C@H](NCC[NH2+]C3CC3)C2)cc1 ZINC000643507325 380330199 /nfs/dbraw/zinc/33/01/99/380330199.db2.gz ZCWNXBQSRGYQTK-WMZOPIPTSA-N 1 3 272.436 3.445 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643512400 380333030 /nfs/dbraw/zinc/33/30/30/380333030.db2.gz USZUOJQXSMEZCW-BZSNNMDCSA-N 1 3 272.436 3.041 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643512408 380333848 /nfs/dbraw/zinc/33/38/48/380333848.db2.gz USZUOJQXSMEZCW-OKZBNKHCSA-N 1 3 272.436 3.041 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000643522236 380337454 /nfs/dbraw/zinc/33/74/54/380337454.db2.gz KIGAWJHRFIRCAO-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO CCCc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643521538 380335398 /nfs/dbraw/zinc/33/53/98/380335398.db2.gz PKQGUODOWBFHMK-PBHICJAKSA-N 1 3 260.425 3.432 20 0 CGADHO c1cc(C[NH2+][C@H]2CCNC3(CCC3)C2)cc(C2CC2)c1 ZINC000643427100 380305239 /nfs/dbraw/zinc/30/52/39/380305239.db2.gz SEJJPAPRESKCLM-KRWDZBQOSA-N 1 3 270.420 3.328 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCCNC1 ZINC000643459420 380312026 /nfs/dbraw/zinc/31/20/26/380312026.db2.gz CKWHNAPHCMQPPD-XUXIUFHCSA-N 1 3 292.389 3.333 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000414710664 380383991 /nfs/dbraw/zinc/38/39/91/380383991.db2.gz GYAPLSWNAMVWDW-KRWDZBQOSA-N 1 3 260.425 3.267 20 0 CGADHO CCOc1ccc(CCC2CCN(CCC[NH3+])CC2)cc1 ZINC000414738389 380389445 /nfs/dbraw/zinc/38/94/45/380389445.db2.gz OUUQFMIXGGZZHZ-UHFFFAOYSA-N 1 3 290.451 3.079 20 0 CGADHO CCOc1ccc(CCC2CC[NH+](CCCN)CC2)cc1 ZINC000414738389 380389451 /nfs/dbraw/zinc/38/94/51/380389451.db2.gz OUUQFMIXGGZZHZ-UHFFFAOYSA-N 1 3 290.451 3.079 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCCNCC2)C(C)C)cc1 ZINC000643523249 380339855 /nfs/dbraw/zinc/33/98/55/380339855.db2.gz YLVJFWFTHATPLO-ROUUACIJSA-N 1 3 274.452 3.294 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](CC2CC2)c2ccccc2)C1 ZINC000643523924 380340175 /nfs/dbraw/zinc/34/01/75/380340175.db2.gz OFTJCKCJZYPKGH-IXDOHACOSA-N 1 3 258.409 3.387 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000643527932 380345403 /nfs/dbraw/zinc/34/54/03/380345403.db2.gz VSWDIGHGZQZUBM-VHRBIJSZSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2ccsc2S1 ZINC000643534911 380350958 /nfs/dbraw/zinc/35/09/58/380350958.db2.gz FOYYYVMFQVDTNL-CYZMBNFOSA-N 1 3 294.489 3.405 20 0 CGADHO c1ccc(C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643546149 380360084 /nfs/dbraw/zinc/36/00/84/380360084.db2.gz JQDZAJALOZIYBQ-ZWKOTPCHSA-N 1 3 284.447 3.272 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547404 380362621 /nfs/dbraw/zinc/36/26/21/380362621.db2.gz FAVWDIQTFLAUDV-BFHYXJOUSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000414825326 380434039 /nfs/dbraw/zinc/43/40/39/380434039.db2.gz HFTQJABNAQFROY-JTUUTPGSSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414825972 380436610 /nfs/dbraw/zinc/43/66/10/380436610.db2.gz UWRBGQOVNSOVIZ-UMVBOHGHSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@H](NCc1cc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC000414851365 380453985 /nfs/dbraw/zinc/45/39/85/380453985.db2.gz JBZTYWXDYKNGDX-JSGCOSHPSA-N 1 3 274.433 3.379 20 0 CGADHO c1ccc(C2CCC(C[NH2+]C3CCNCC3)CC2)cc1 ZINC000414779690 380401446 /nfs/dbraw/zinc/40/14/46/380401446.db2.gz JXTBQISJLWQCPJ-UHFFFAOYSA-N 1 3 272.436 3.302 20 0 CGADHO Clc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414785601 380402817 /nfs/dbraw/zinc/40/28/17/380402817.db2.gz SVLMUOUZPNHIID-VXGBXAGGSA-N 1 3 284.856 3.223 20 0 CGADHO CC(C)[C@H]([NH3+])CNC[C@@H](C)c1cccc(Cl)c1 ZINC000414801811 380414688 /nfs/dbraw/zinc/41/46/88/380414688.db2.gz UVQKTAXBMQDBOG-BXUZGUMPSA-N 1 3 254.805 3.016 20 0 CGADHO CCSc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000414808771 380420979 /nfs/dbraw/zinc/42/09/79/380420979.db2.gz STFZXZOYCFAPEC-ZFWWWQNUSA-N 1 3 264.438 3.016 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000414920549 380489907 /nfs/dbraw/zinc/48/99/07/380489907.db2.gz XZVGQHXNPMEYRN-BZSNNMDCSA-N 1 3 272.436 3.130 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000414926864 380490984 /nfs/dbraw/zinc/49/09/84/380490984.db2.gz NXTHHUYQMMLDRD-CHWSQXEVSA-N 1 3 252.789 3.008 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414927743 380491854 /nfs/dbraw/zinc/49/18/54/380491854.db2.gz PJUNXXBQNMSWCZ-GVDBMIGSSA-N 1 3 260.425 3.257 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(-c3ccccn3)c2)C1 ZINC000414927267 380492149 /nfs/dbraw/zinc/49/21/49/380492149.db2.gz ONUOILBDJNNKTP-IRXDYDNUSA-N 1 3 281.403 3.108 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414865104 380465101 /nfs/dbraw/zinc/46/51/01/380465101.db2.gz YXOGFDRKGYWDND-BPQIPLTHSA-N 1 3 274.452 3.294 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414880457 380472231 /nfs/dbraw/zinc/47/22/31/380472231.db2.gz QRLHIEDFWYRGFP-PVAVHDDUSA-N 1 3 260.425 3.287 20 0 CGADHO Cc1ccccc1-c1cccc(CN[C@@H](C)CC[NH3+])c1 ZINC000414882989 380474119 /nfs/dbraw/zinc/47/41/19/380474119.db2.gz MMPMNNHMCKHBJB-HNNXBMFYSA-N 1 3 268.404 3.489 20 0 CGADHO CC[C@@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000414903918 380482008 /nfs/dbraw/zinc/48/20/08/380482008.db2.gz MRYWXDYUJNBGMG-RDJZCZTQSA-N 1 3 260.425 3.160 20 0 CGADHO Cc1cccc(CC[C@H](C)NCC[C@H]2CCC[NH2+]2)c1 ZINC000414906880 380483808 /nfs/dbraw/zinc/48/38/08/380483808.db2.gz PUVTZNYINVCXID-DOTOQJQBSA-N 1 3 260.425 3.048 20 0 CGADHO CC1=C[C@H](C)C[C@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000356096724 380789843 /nfs/dbraw/zinc/78/98/43/380789843.db2.gz LZTPRKZNAZDFST-ZFWWWQNUSA-N 1 3 250.430 3.005 20 0 CGADHO CC(C)c1ncc(CN2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357053527 381013959 /nfs/dbraw/zinc/01/39/59/381013959.db2.gz OZKBALXXVZJRMX-AWEZNQCLSA-N 1 3 293.480 3.088 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000359280505 381342481 /nfs/dbraw/zinc/34/24/81/381342481.db2.gz HFXJJRDWJWHJPT-QGZVFWFLSA-N 1 3 260.425 3.304 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1ccc2ccccc2n1 ZINC000360700233 381621278 /nfs/dbraw/zinc/62/12/78/381621278.db2.gz BEZSDGVUNYVKKY-CLCXKQKWSA-N 1 3 297.446 3.096 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1ccc2ccccc2n1 ZINC000360700233 381621287 /nfs/dbraw/zinc/62/12/87/381621287.db2.gz BEZSDGVUNYVKKY-CLCXKQKWSA-N 1 3 297.446 3.096 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708181 381624414 /nfs/dbraw/zinc/62/44/14/381624414.db2.gz QNLHMDLRMQVCEN-KRWDZBQOSA-N 1 3 284.447 3.408 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708181 381624432 /nfs/dbraw/zinc/62/44/32/381624432.db2.gz QNLHMDLRMQVCEN-KRWDZBQOSA-N 1 3 284.447 3.408 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397950 381731262 /nfs/dbraw/zinc/73/12/62/381731262.db2.gz ZOJFFAMYRPJRIB-RCCFBDPRSA-N 1 3 272.436 3.206 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397950 381731267 /nfs/dbraw/zinc/73/12/67/381731267.db2.gz ZOJFFAMYRPJRIB-RCCFBDPRSA-N 1 3 272.436 3.206 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397950 381731272 /nfs/dbraw/zinc/73/12/72/381731272.db2.gz ZOJFFAMYRPJRIB-RCCFBDPRSA-N 1 3 272.436 3.206 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000245872701 542324063 /nfs/dbraw/zinc/32/40/63/542324063.db2.gz ADDPCEMPKFULOD-KGLIPLIRSA-N 1 3 278.444 3.023 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000245872701 542324068 /nfs/dbraw/zinc/32/40/68/542324068.db2.gz ADDPCEMPKFULOD-KGLIPLIRSA-N 1 3 278.444 3.023 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246867865 542329049 /nfs/dbraw/zinc/32/90/49/542329049.db2.gz QWKSEMJFIMOGEQ-IRXDYDNUSA-N 1 3 297.446 3.317 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246867865 542329052 /nfs/dbraw/zinc/32/90/52/542329052.db2.gz QWKSEMJFIMOGEQ-IRXDYDNUSA-N 1 3 297.446 3.317 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000251946492 542348655 /nfs/dbraw/zinc/34/86/55/542348655.db2.gz WKQZPDJLZGFKRJ-WCVJEAGWSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000252414829 542349441 /nfs/dbraw/zinc/34/94/41/542349441.db2.gz JTFXPRLYXLVHTH-QZTJIDSGSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423453734 532975596 /nfs/dbraw/zinc/97/55/96/532975596.db2.gz XZGIODRBAOVLTL-MCIONIFRSA-N 1 3 269.392 3.135 20 0 CGADHO C[NH2+]C1CCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000335268246 208064341 /nfs/dbraw/zinc/06/43/41/208064341.db2.gz FARFOVYEIZYBQH-QZTJIDSGSA-N 1 3 272.436 3.181 20 0 CGADHO CNC1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000335268246 208064345 /nfs/dbraw/zinc/06/43/45/208064345.db2.gz FARFOVYEIZYBQH-QZTJIDSGSA-N 1 3 272.436 3.181 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000350510714 219031997 /nfs/dbraw/zinc/03/19/97/219031997.db2.gz IOFYWDSWYFXVAQ-ROUUACIJSA-N 1 3 272.436 3.069 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000350510714 219031999 /nfs/dbraw/zinc/03/19/99/219031999.db2.gz IOFYWDSWYFXVAQ-ROUUACIJSA-N 1 3 272.436 3.069 20 0 CGADHO C/C=C/C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309724573 542426612 /nfs/dbraw/zinc/42/66/12/542426612.db2.gz PDYGBRBGTKPYTC-JUPLKNRCSA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C/CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309724573 542426615 /nfs/dbraw/zinc/42/66/15/542426615.db2.gz PDYGBRBGTKPYTC-JUPLKNRCSA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C/CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724573 542426617 /nfs/dbraw/zinc/42/66/17/542426617.db2.gz PDYGBRBGTKPYTC-JUPLKNRCSA-N 1 3 258.409 3.063 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cc(Cl)cc3cccnc32)C1 ZINC000334845152 542461786 /nfs/dbraw/zinc/46/17/86/542461786.db2.gz IAUJLHPFYCNSEA-CABCVRRESA-N 1 3 289.810 3.248 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1(CC)CC ZINC000339068179 542486173 /nfs/dbraw/zinc/48/61/73/542486173.db2.gz LXOBKOKATWNBSU-LTIDMASMSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(CC)CC ZINC000339068179 542486174 /nfs/dbraw/zinc/48/61/74/542486174.db2.gz LXOBKOKATWNBSU-LTIDMASMSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCC1(F)F ZINC000390661470 262236673 /nfs/dbraw/zinc/23/66/73/262236673.db2.gz LXOSIMFQJWIWBY-HZSPNIEDSA-N 1 3 274.399 3.322 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452441 224579476 /nfs/dbraw/zinc/57/94/76/224579476.db2.gz PKKWOFREDYOTMS-YESZJQIVSA-N 1 3 258.409 3.005 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000250701769 572555356 /nfs/dbraw/zinc/55/53/56/572555356.db2.gz ODTPGDWUQNWNBB-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000250701769 572555360 /nfs/dbraw/zinc/55/53/60/572555360.db2.gz ODTPGDWUQNWNBB-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CCCC1)CC2 ZINC000092837285 533299121 /nfs/dbraw/zinc/29/91/21/533299121.db2.gz AEOSSOJMWYBRAA-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+]CC(C)(C)N)ccc2c1 ZINC000423287342 533336856 /nfs/dbraw/zinc/33/68/56/533336856.db2.gz LPVVVZCLGWWBHU-LBPRGKRZSA-N 1 3 272.392 3.236 20 0 CGADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000423491237 533388254 /nfs/dbraw/zinc/38/82/54/533388254.db2.gz YUDIYMNXNANZPA-CHWSQXEVSA-N 1 3 250.361 3.009 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423348226 533365615 /nfs/dbraw/zinc/36/56/15/533365615.db2.gz SJNAZTXGBPUATE-LLVKDONJSA-N 1 3 284.325 3.276 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1N(C)C ZINC000423374983 533449743 /nfs/dbraw/zinc/44/97/43/533449743.db2.gz IMOMGYBYKGNFFB-CQSZACIVSA-N 1 3 295.430 3.207 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328865 533431185 /nfs/dbraw/zinc/43/11/85/533431185.db2.gz SNBMNGLUXWZDFG-RNCFNFMXSA-N 1 3 272.314 3.093 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OC(F)F)c1 ZINC000424375351 533520294 /nfs/dbraw/zinc/52/02/94/533520294.db2.gz MXQFPGRWQCUIHC-LERXQTSPSA-N 1 3 284.350 3.209 20 0 CGADHO C[C@@H](CC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000449100831 533468867 /nfs/dbraw/zinc/46/88/67/533468867.db2.gz CKYUVDKRRJFKDC-HRCADAONSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H]([NH2+][C@H](c1ccc(Br)cc1)C1CC1)[C@H](C)N ZINC000423450346 533538708 /nfs/dbraw/zinc/53/87/08/533538708.db2.gz SQYSAUQJPBIKFJ-RBZYPMLTSA-N 1 3 297.240 3.226 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423407083 533547016 /nfs/dbraw/zinc/54/70/16/533547016.db2.gz VHTSIMXNMXZBIN-LBELIVKGSA-N 1 3 298.883 3.481 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000423323254 533653626 /nfs/dbraw/zinc/65/36/26/533653626.db2.gz AETZKOUIKIZXNM-SUMWQHHRSA-N 1 3 296.405 3.265 20 0 CGADHO CC1(c2ccc(Cl)cc2)CCN(CCC[NH3+])CC1 ZINC000414740542 542638703 /nfs/dbraw/zinc/63/87/03/542638703.db2.gz CXVVGLBMSCRNDF-UHFFFAOYSA-N 1 3 266.816 3.042 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC2Cc3ccccc3C2)CC1 ZINC000037786494 391982642 /nfs/dbraw/zinc/98/26/42/391982642.db2.gz JRPFBUOGBIWLAF-UHFFFAOYSA-N 1 3 272.436 3.006 20 0 CGADHO CCC[N@H+](Cc1ccc2c(c1)CCC2)C1CCNCC1 ZINC000070499592 392183835 /nfs/dbraw/zinc/18/38/35/392183835.db2.gz UNGUEWKVSSBPSF-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CCC[N@@H+](Cc1ccc2c(c1)CCC2)C1CCNCC1 ZINC000070499592 392183838 /nfs/dbraw/zinc/18/38/38/392183838.db2.gz UNGUEWKVSSBPSF-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CCCN(Cc1ccc2c(c1)CCC2)C1CC[NH2+]CC1 ZINC000070499592 392183839 /nfs/dbraw/zinc/18/38/39/392183839.db2.gz UNGUEWKVSSBPSF-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CC[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](CC)C2)C1 ZINC000431613837 542652951 /nfs/dbraw/zinc/65/29/51/542652951.db2.gz JRVMTFZMSZJBFL-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@H](CC)C2)C1 ZINC000431613837 542652954 /nfs/dbraw/zinc/65/29/54/542652954.db2.gz JRVMTFZMSZJBFL-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CC[N@@H+](CC[C@H](C)N2CC[C@H](CC)C2)C1 ZINC000431613837 542652956 /nfs/dbraw/zinc/65/29/56/542652956.db2.gz JRVMTFZMSZJBFL-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CC[N@H+](CC[C@H](C)N2CC[C@H](CC)C2)C1 ZINC000431613837 542652959 /nfs/dbraw/zinc/65/29/59/542652959.db2.gz JRVMTFZMSZJBFL-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000368653567 392494721 /nfs/dbraw/zinc/49/47/21/392494721.db2.gz SYZXZCYABGTORC-FUHWJXTLSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398731 392507403 /nfs/dbraw/zinc/50/74/03/392507403.db2.gz WZZLPHPVKTZSLD-KBXCAEBGSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398731 392507408 /nfs/dbraw/zinc/50/74/08/392507408.db2.gz WZZLPHPVKTZSLD-KBXCAEBGSA-N 1 3 288.435 3.220 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158705378 392573969 /nfs/dbraw/zinc/57/39/69/392573969.db2.gz IQQKWOYMQXWLAJ-FRFSOERESA-N 1 3 276.399 3.303 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158705378 392573977 /nfs/dbraw/zinc/57/39/77/392573977.db2.gz IQQKWOYMQXWLAJ-FRFSOERESA-N 1 3 276.399 3.303 20 0 CGADHO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000162138615 392592655 /nfs/dbraw/zinc/59/26/55/392592655.db2.gz XGZKEQMYYSALLU-MRXNPFEDSA-N 1 3 290.455 3.039 20 0 CGADHO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000162138615 392592658 /nfs/dbraw/zinc/59/26/58/392592658.db2.gz XGZKEQMYYSALLU-MRXNPFEDSA-N 1 3 290.455 3.039 20 0 CGADHO Cc1cc(C)c(C[N@H+](C2CC2)C2CCNCC2)cc1C ZINC000647482926 392736932 /nfs/dbraw/zinc/73/69/32/392736932.db2.gz KDESBZABGOVUBU-UHFFFAOYSA-N 1 3 272.436 3.328 20 0 CGADHO Cc1cc(C)c(C[N@@H+](C2CC2)C2CCNCC2)cc1C ZINC000647482926 392736935 /nfs/dbraw/zinc/73/69/35/392736935.db2.gz KDESBZABGOVUBU-UHFFFAOYSA-N 1 3 272.436 3.328 20 0 CGADHO C[C@@H](C[N@H+](C1CC1)C1CCNCC1)c1ccc(F)cc1 ZINC000647482540 392738115 /nfs/dbraw/zinc/73/81/15/392738115.db2.gz NJWJWKYYACIYJR-ZDUSSCGKSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@@H](C[N@@H+](C1CC1)C1CCNCC1)c1ccc(F)cc1 ZINC000647482540 392738120 /nfs/dbraw/zinc/73/81/20/392738120.db2.gz NJWJWKYYACIYJR-ZDUSSCGKSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@@H](CN(C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000647482540 392738132 /nfs/dbraw/zinc/73/81/32/392738132.db2.gz NJWJWKYYACIYJR-ZDUSSCGKSA-N 1 3 276.399 3.146 20 0 CGADHO CCC[C@H](CN1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000647531345 392752010 /nfs/dbraw/zinc/75/20/10/392752010.db2.gz PWOKOWAQAPJDIG-MRXNPFEDSA-N 1 3 260.425 3.384 20 0 CGADHO CCC[C@H](C[NH+]1CCC(C)(N)CC1)c1ccccc1 ZINC000647531345 392752019 /nfs/dbraw/zinc/75/20/19/392752019.db2.gz PWOKOWAQAPJDIG-MRXNPFEDSA-N 1 3 260.425 3.384 20 0 CGADHO Clc1cscc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545743 392762253 /nfs/dbraw/zinc/76/22/53/392762253.db2.gz LBYHAQVCMJPCLW-RYUDHWBXSA-N 1 3 284.856 3.223 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000334267632 392715659 /nfs/dbraw/zinc/71/56/59/392715659.db2.gz OBCKDFMKJQWKNM-CZUORRHYSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3CCC3)CC2)C1 ZINC000334267632 392715670 /nfs/dbraw/zinc/71/56/70/392715670.db2.gz OBCKDFMKJQWKNM-CZUORRHYSA-N 1 3 250.430 3.172 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCc2cccc(C)c2)C1 ZINC000181135851 392722361 /nfs/dbraw/zinc/72/23/61/392722361.db2.gz ZMTOVEWYWDNSGR-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCc2cccc(C)c2)C1 ZINC000181135851 392722365 /nfs/dbraw/zinc/72/23/65/392722365.db2.gz ZMTOVEWYWDNSGR-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCCc2cccc(C)c2)C1 ZINC000181135851 392722371 /nfs/dbraw/zinc/72/23/71/392722371.db2.gz ZMTOVEWYWDNSGR-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCCc2cccc(C)c2)C1 ZINC000181135851 392722375 /nfs/dbraw/zinc/72/23/75/392722375.db2.gz ZMTOVEWYWDNSGR-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CSc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000375511587 392787144 /nfs/dbraw/zinc/78/71/44/392787144.db2.gz OZFZKXHCXLZXBQ-UHFFFAOYSA-N 1 3 290.476 3.469 20 0 CGADHO CSc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375511587 392787151 /nfs/dbraw/zinc/78/71/51/392787151.db2.gz OZFZKXHCXLZXBQ-UHFFFAOYSA-N 1 3 290.476 3.469 20 0 CGADHO CSc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375511587 392787155 /nfs/dbraw/zinc/78/71/55/392787155.db2.gz OZFZKXHCXLZXBQ-UHFFFAOYSA-N 1 3 290.476 3.469 20 0 CGADHO Clc1ccccc1C1(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647800924 392802798 /nfs/dbraw/zinc/80/27/98/392802798.db2.gz MINQIRLDZGEHKD-BFHYXJOUSA-N 1 3 290.838 3.307 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cc(F)cc(F)c1 ZINC000647803349 392805244 /nfs/dbraw/zinc/80/52/44/392805244.db2.gz XKLFIWFOOHILPA-NSHDSACASA-N 1 3 276.330 3.274 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC1(c2cccc(Cl)c2)CCC1 ZINC000647804465 392805390 /nfs/dbraw/zinc/80/53/90/392805390.db2.gz RNNOKYSADRFWPP-NWDGAFQWSA-N 1 3 266.816 3.435 20 0 CGADHO CN(C)[C@H](CNc1[nH+]ccc2[nH]ccc21)c1cccs1 ZINC000647846364 392811897 /nfs/dbraw/zinc/81/18/97/392811897.db2.gz AXJOEORPSINKLX-CYBMUJFWSA-N 1 3 286.404 3.339 20 0 CGADHO CCCCCN(Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647872615 392819023 /nfs/dbraw/zinc/81/90/23/392819023.db2.gz IGONEFANPDOXGJ-MRXNPFEDSA-N 1 3 278.415 3.427 20 0 CGADHO CN(CCC[NH2+]CCC1CCOCC1)C1CCCCC1 ZINC000381239908 392907662 /nfs/dbraw/zinc/90/76/62/392907662.db2.gz ZLVZQOXXAGMDQL-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO C[N@H+](CCCNCCC1CCOCC1)C1CCCCC1 ZINC000381239908 392907664 /nfs/dbraw/zinc/90/76/64/392907664.db2.gz ZLVZQOXXAGMDQL-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO C[N@@H+](CCCNCCC1CCOCC1)C1CCCCC1 ZINC000381239908 392907667 /nfs/dbraw/zinc/90/76/67/392907667.db2.gz ZLVZQOXXAGMDQL-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674160 392880455 /nfs/dbraw/zinc/88/04/55/392880455.db2.gz WHUPDEJGMXRPBX-FCGDIQPGSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000519674160 392880458 /nfs/dbraw/zinc/88/04/58/392880458.db2.gz WHUPDEJGMXRPBX-FCGDIQPGSA-N 1 3 284.447 3.206 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000514090887 542733643 /nfs/dbraw/zinc/73/36/43/542733643.db2.gz WYRTVDWODKGWSJ-JYJNAYRXSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000459749291 392953970 /nfs/dbraw/zinc/95/39/70/392953970.db2.gz YKMGVIFIBALCEI-HPBDAGMYSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000459749291 392953977 /nfs/dbraw/zinc/95/39/77/392953977.db2.gz YKMGVIFIBALCEI-HPBDAGMYSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000230663896 393025225 /nfs/dbraw/zinc/02/52/25/393025225.db2.gz HCUZTYGPODRIFQ-GJZGRUSLSA-N 1 3 273.424 3.076 20 0 CGADHO CC(C)(C)C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414997542 393085841 /nfs/dbraw/zinc/08/58/41/393085841.db2.gz HKXZUCIHLMOONH-GOEBONIOSA-N 1 3 278.415 3.155 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2ccc(F)cc2Cl)C1 ZINC000415006021 393088929 /nfs/dbraw/zinc/08/89/29/393088929.db2.gz ZVNWTQCFYBRLRC-ZWNOBZJWSA-N 1 3 270.779 3.086 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2ccccc2Br)C1 ZINC000415004616 393088981 /nfs/dbraw/zinc/08/89/81/393088981.db2.gz YJBRMGZOIZIIKN-AAEUAGOBSA-N 1 3 297.240 3.056 20 0 CGADHO CC(C)(C)c1cnc(CNC[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415009896 393093003 /nfs/dbraw/zinc/09/30/03/393093003.db2.gz UHXFKPYUWODJRH-RYUDHWBXSA-N 1 3 281.469 3.048 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ncc(C(C)(C)C)s1 ZINC000415019861 393099464 /nfs/dbraw/zinc/09/94/64/393099464.db2.gz WTDREASMNHZLSC-LLVKDONJSA-N 1 3 269.458 3.048 20 0 CGADHO CCc1cccc(Cl)c1CN[C@H](C)CCC[NH3+] ZINC000415021853 393099661 /nfs/dbraw/zinc/09/96/61/393099661.db2.gz KZHPTYPGFUUMOL-LLVKDONJSA-N 1 3 254.805 3.119 20 0 CGADHO Cc1cc(F)c(CN[C@@H]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000415030791 393104633 /nfs/dbraw/zinc/10/46/33/393104633.db2.gz GHVYCBJKXOEXTE-GHMZBOCLSA-N 1 3 270.779 3.005 20 0 CGADHO Cc1cccc(C)c1[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000546227888 393041117 /nfs/dbraw/zinc/04/11/17/393041117.db2.gz FNVAAHZAPWOFKS-MRXNPFEDSA-N 1 3 260.425 3.440 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414652003 393050002 /nfs/dbraw/zinc/05/00/02/393050002.db2.gz CTAVCJKMMWMVPC-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H]([C@@H](C)N)C2)cc1 ZINC000414652003 393050006 /nfs/dbraw/zinc/05/00/06/393050006.db2.gz CTAVCJKMMWMVPC-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H]([C@@H](C)N)C2)cc1 ZINC000414652003 393050009 /nfs/dbraw/zinc/05/00/09/393050009.db2.gz CTAVCJKMMWMVPC-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO C1=CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246088000 393051610 /nfs/dbraw/zinc/05/16/10/393051610.db2.gz IKGAFDHMGLYAOG-XYJFISCASA-N 1 3 274.452 3.291 20 0 CGADHO C1=CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246088000 393051613 /nfs/dbraw/zinc/05/16/13/393051613.db2.gz IKGAFDHMGLYAOG-XYJFISCASA-N 1 3 274.452 3.291 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H](C)[C@@H]2CCCNC2)cc1 ZINC000414845419 393056485 /nfs/dbraw/zinc/05/64/85/393056485.db2.gz DJRIKLZJBNMRMB-CRAIPNDOSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)c1ccc(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414845419 393056489 /nfs/dbraw/zinc/05/64/89/393056489.db2.gz DJRIKLZJBNMRMB-CRAIPNDOSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)c1ccc(CC[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000414905507 393058134 /nfs/dbraw/zinc/05/81/34/393058134.db2.gz LJPSJNHODKZEGA-GOSISDBHSA-N 1 3 274.452 3.332 20 0 CGADHO CC(C)c1ccc(CCNC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414905507 393058139 /nfs/dbraw/zinc/05/81/39/393058139.db2.gz LJPSJNHODKZEGA-GOSISDBHSA-N 1 3 274.452 3.332 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CCN1 ZINC000414953752 393060354 /nfs/dbraw/zinc/06/03/54/393060354.db2.gz RXBPKBRSWOQSQU-BGTYHANMSA-N 1 3 272.436 3.227 20 0 CGADHO COc1ccc(C[NH2+][C@H]2CCN[C@@H](C)C2)c2ccccc12 ZINC000414959341 393067460 /nfs/dbraw/zinc/06/74/60/393067460.db2.gz XJEUIKWYQFFHLH-ZFWWWQNUSA-N 1 3 284.403 3.079 20 0 CGADHO Fc1cccc(Cl)c1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414982038 393079381 /nfs/dbraw/zinc/07/93/81/393079381.db2.gz YETWGTSICBCUDR-LLVKDONJSA-N 1 3 270.779 3.101 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000415067732 393126623 /nfs/dbraw/zinc/12/66/23/393126623.db2.gz LGQOXOZCHGKWPJ-ROUUACIJSA-N 1 3 272.436 3.229 20 0 CGADHO c1ccc(C2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415071459 393128615 /nfs/dbraw/zinc/12/86/15/393128615.db2.gz TZKMCIUBXTUXHM-ABHNRTSZSA-N 1 3 272.436 3.445 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415075428 393131467 /nfs/dbraw/zinc/13/14/67/393131467.db2.gz FHPHTTWAGGAOGW-NXWXRZEISA-N 1 3 284.447 3.227 20 0 CGADHO CC(C)C[C@H]([NH3+])CNCC(C)(C)Cc1ccccc1 ZINC000415078159 393132268 /nfs/dbraw/zinc/13/22/68/393132268.db2.gz FRCZIGWEWICAMT-INIZCTEOSA-N 1 3 262.441 3.218 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC(C)(C)Cc1ccccc1 ZINC000415080255 393134631 /nfs/dbraw/zinc/13/46/31/393134631.db2.gz JCRQAIMAFDKMGR-RDJZCZTQSA-N 1 3 274.452 3.376 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000415087040 393138238 /nfs/dbraw/zinc/13/82/38/393138238.db2.gz KHCHAXXZBYKCBV-QRVBRYPASA-N 1 3 286.463 3.356 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415089355 393140671 /nfs/dbraw/zinc/14/06/71/393140671.db2.gz WLDCXBMPKDWUCX-QRVBRYPASA-N 1 3 286.463 3.356 20 0 CGADHO C[C@@H](NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415091070 393142653 /nfs/dbraw/zinc/14/26/53/393142653.db2.gz YRXCXTJXEORFRF-ZYHUDNBSSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000415103218 393144941 /nfs/dbraw/zinc/14/49/41/393144941.db2.gz CULRSVAJNQFTBO-YJBOKZPZSA-N 1 3 295.430 3.165 20 0 CGADHO Cc1ccc([C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137851 393145113 /nfs/dbraw/zinc/14/51/13/393145113.db2.gz YVWGDTWJQZOMCU-AEFFLSMTSA-N 1 3 272.436 3.092 20 0 CGADHO C[C@]1(CN2C[C@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124120 393151702 /nfs/dbraw/zinc/15/17/02/393151702.db2.gz NXLDSDJAFLQTNJ-MSOLQXFVSA-N 1 3 284.447 3.256 20 0 CGADHO CC(C)c1ccc(CC[NH2+]CCCN2CCCC2)cc1 ZINC000470323492 393240891 /nfs/dbraw/zinc/24/08/91/393240891.db2.gz RCFLPBVPZIKCOD-UHFFFAOYSA-N 1 3 274.452 3.428 20 0 CGADHO CC(C)c1ccc(CCNCCC[NH+]2CCCC2)cc1 ZINC000470323492 393240899 /nfs/dbraw/zinc/24/08/99/393240899.db2.gz RCFLPBVPZIKCOD-UHFFFAOYSA-N 1 3 274.452 3.428 20 0 CGADHO CCCN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000351595442 393193082 /nfs/dbraw/zinc/19/30/82/393193082.db2.gz KSVPQSKQGCZIIZ-SJORKVTESA-N 1 3 282.472 3.142 20 0 CGADHO CCCN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000351595442 393193085 /nfs/dbraw/zinc/19/30/85/393193085.db2.gz KSVPQSKQGCZIIZ-SJORKVTESA-N 1 3 282.472 3.142 20 0 CGADHO CC1CCC(C)(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000355412054 393310773 /nfs/dbraw/zinc/31/07/73/393310773.db2.gz APWQVXXLLCVQNZ-GMRIPVOYSA-N 1 3 264.457 3.419 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420265457 393445789 /nfs/dbraw/zinc/44/57/89/393445789.db2.gz VHORIEOYLDOSBE-GJZGRUSLSA-N 1 3 295.430 3.151 20 0 CGADHO CCC1(C)CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420296825 393454239 /nfs/dbraw/zinc/45/42/39/393454239.db2.gz FCVJPGVCNPJUCX-MRXNPFEDSA-N 1 3 290.451 3.250 20 0 CGADHO FC(F)c1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000420316809 393463017 /nfs/dbraw/zinc/46/30/17/393463017.db2.gz NSRCPOOLGDUVEU-INIZCTEOSA-N 1 3 294.389 3.446 20 0 CGADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(F)c1 ZINC000420370002 393476630 /nfs/dbraw/zinc/47/66/30/393476630.db2.gz JHRVOVXJPBGVLZ-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378779 393478381 /nfs/dbraw/zinc/47/83/81/393478381.db2.gz XFZYGBLMHPMXQY-GYSYKLTISA-N 1 3 268.351 3.100 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420415788 393485982 /nfs/dbraw/zinc/48/59/82/393485982.db2.gz VHADVCANKOCFJH-TZMCWYRMSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+]CCCN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420415788 393485991 /nfs/dbraw/zinc/48/59/91/393485991.db2.gz VHADVCANKOCFJH-TZMCWYRMSA-N 1 3 286.341 3.280 20 0 CGADHO C[NH+](C)C1CCN(CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000429725231 393498112 /nfs/dbraw/zinc/49/81/12/393498112.db2.gz YJJFPIIHZTTZNI-UHFFFAOYSA-N 1 3 276.468 3.229 20 0 CGADHO CC(C)C1CC([NH2+]CC[C@@H](C)N2CCCCC2)C1 ZINC000488485927 393527772 /nfs/dbraw/zinc/52/77/72/393527772.db2.gz WJTKMHHTMZZBBJ-QQFBHYJXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCCSc1ccc(Cl)cc1 ZINC000430553835 393574641 /nfs/dbraw/zinc/57/46/41/393574641.db2.gz PNAMALHZLOGUEO-AWEZNQCLSA-N 1 3 286.872 3.395 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1C1CC1 ZINC000666743425 542812070 /nfs/dbraw/zinc/81/20/70/542812070.db2.gz ILHJLCTXPBIHIA-PBHICJAKSA-N 1 3 258.409 3.171 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCNCC2)cc1 ZINC000666857707 542821433 /nfs/dbraw/zinc/82/14/33/542821433.db2.gz FZRQBRCNQDEZIY-NVXWUHKLSA-N 1 3 260.425 3.048 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCNCC2)cc1 ZINC000666857709 542821734 /nfs/dbraw/zinc/82/17/34/542821734.db2.gz FZRQBRCNQDEZIY-WBVHZDCISA-N 1 3 260.425 3.048 20 0 CGADHO CCC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000360862894 393601301 /nfs/dbraw/zinc/60/13/01/393601301.db2.gz XRKFWAFWOAHNOF-RHSMWYFYSA-N 1 3 278.440 3.466 20 0 CGADHO CCC[N@H+](CCO[C@H]1CCCC[C@@H]1C)C1CCNCC1 ZINC000431079982 393603087 /nfs/dbraw/zinc/60/30/87/393603087.db2.gz KNTWRWVCLGLHIC-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[N@@H+](CCO[C@H]1CCCC[C@@H]1C)C1CCNCC1 ZINC000431079982 393603090 /nfs/dbraw/zinc/60/30/90/393603090.db2.gz KNTWRWVCLGLHIC-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CCCN(CCO[C@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000431079982 393603092 /nfs/dbraw/zinc/60/30/92/393603092.db2.gz KNTWRWVCLGLHIC-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000491324978 393680749 /nfs/dbraw/zinc/68/07/49/393680749.db2.gz YDFLWNZUVLTIDK-RDTXWAMCSA-N 1 3 272.436 3.138 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000491324978 393680750 /nfs/dbraw/zinc/68/07/50/393680750.db2.gz YDFLWNZUVLTIDK-RDTXWAMCSA-N 1 3 272.436 3.138 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360984940 393630251 /nfs/dbraw/zinc/63/02/51/393630251.db2.gz SRGNOKWCMHXCNS-BMFZPTHFSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360984940 393630256 /nfs/dbraw/zinc/63/02/56/393630256.db2.gz SRGNOKWCMHXCNS-BMFZPTHFSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000360984940 393630260 /nfs/dbraw/zinc/63/02/60/393630260.db2.gz SRGNOKWCMHXCNS-BMFZPTHFSA-N 1 3 278.465 3.286 20 0 CGADHO CC(C)c1ccc(CCCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422771747 393641957 /nfs/dbraw/zinc/64/19/57/393641957.db2.gz YMVDQPHVAYTQGU-IAGOWNOFSA-N 1 3 260.425 3.212 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000422752746 393642467 /nfs/dbraw/zinc/64/24/67/393642467.db2.gz CZJOXRXIJWZWJQ-HOTGVXAUSA-N 1 3 278.415 3.353 20 0 CGADHO CCc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422752859 393642779 /nfs/dbraw/zinc/64/27/79/393642779.db2.gz HQAVXENVQDXIOO-IAGOWNOFSA-N 1 3 260.425 3.041 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423033591 393649522 /nfs/dbraw/zinc/64/95/22/393649522.db2.gz ZINYLOYIOYLVKF-YYQUZTFQSA-N 1 3 288.435 3.315 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423214228 393655206 /nfs/dbraw/zinc/65/52/06/393655206.db2.gz LABSTBVVJIESJD-ILXRZTDVSA-N 1 3 286.419 3.342 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423214228 393655210 /nfs/dbraw/zinc/65/52/10/393655210.db2.gz LABSTBVVJIESJD-ILXRZTDVSA-N 1 3 286.419 3.342 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CCC(F)(F)CC1 ZINC000423326564 393662416 /nfs/dbraw/zinc/66/24/16/393662416.db2.gz CMCPOILZTOWDNI-GXTWGEPZSA-N 1 3 274.399 3.180 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)CCN1 ZINC000423401143 393665072 /nfs/dbraw/zinc/66/50/72/393665072.db2.gz WWWBMXCTPKLHCP-IOASZLSFSA-N 1 3 258.409 3.139 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423386024 393665297 /nfs/dbraw/zinc/66/52/97/393665297.db2.gz LSDSFUNANODTBV-OFQRWUPVSA-N 1 3 274.408 3.068 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423474586 393670148 /nfs/dbraw/zinc/67/01/48/393670148.db2.gz RKWFJSVBUFDIPR-IINYFYTJSA-N 1 3 297.240 3.153 20 0 CGADHO c1nc(-c2ccccc2)sc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952371 542828242 /nfs/dbraw/zinc/82/82/42/542828242.db2.gz TWJSXFPYKKORCH-HNNXBMFYSA-N 1 3 299.443 3.042 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000433234993 393702034 /nfs/dbraw/zinc/70/20/34/393702034.db2.gz UIQDFLCXZQPVRV-KGLIPLIRSA-N 1 3 264.457 3.418 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCCN(CC)C1 ZINC000500419176 393827896 /nfs/dbraw/zinc/82/78/96/393827896.db2.gz FXBBJFZSTLQEGC-OAHLLOKOSA-N 1 3 290.451 3.079 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@H](C)C1 ZINC000666995104 542832251 /nfs/dbraw/zinc/83/22/51/542832251.db2.gz DIKVCNUJNAELRY-TUVASFSCSA-N 1 3 250.430 3.075 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(OC)cc2CC)CC1 ZINC000501452424 393853189 /nfs/dbraw/zinc/85/31/89/393853189.db2.gz KSBDKWYTDFAQLG-UHFFFAOYSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995141 542832734 /nfs/dbraw/zinc/83/27/34/542832734.db2.gz DTBBPZLVQPJJDO-QLFBSQMISA-N 1 3 264.457 3.466 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995528 542833367 /nfs/dbraw/zinc/83/33/67/542833367.db2.gz QFLQEINDUWKHJE-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO CCn1ccnc1[C@H](C)N[C@H](C)CCC[NH+](CC)CC ZINC000453052804 394153717 /nfs/dbraw/zinc/15/37/17/394153717.db2.gz DIBMYUVLCSOJPK-CABCVRRESA-N 1 3 280.460 3.064 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667820546 542932870 /nfs/dbraw/zinc/93/28/70/542932870.db2.gz BDCOQYDEMSXZHO-BPQIPLTHSA-N 1 3 276.468 3.419 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000668817823 543066061 /nfs/dbraw/zinc/06/60/61/543066061.db2.gz AIGPJZNOZTXNCT-DLBZAZTESA-N 1 3 262.441 3.197 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264877 543147200 /nfs/dbraw/zinc/14/72/00/543147200.db2.gz MDYHRUCAAFJJRN-LSDHHAIUSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264877 543147202 /nfs/dbraw/zinc/14/72/02/543147202.db2.gz MDYHRUCAAFJJRN-LSDHHAIUSA-N 1 3 252.446 3.086 20 0 CGADHO c1ccc2c(c1)CC(N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000232456769 397668148 /nfs/dbraw/zinc/66/81/48/397668148.db2.gz CZNNJZQAEOSLPZ-GBESFXJTSA-N 1 3 284.447 3.054 20 0 CGADHO c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C2 ZINC000232456769 397668150 /nfs/dbraw/zinc/66/81/50/397668150.db2.gz CZNNJZQAEOSLPZ-GBESFXJTSA-N 1 3 284.447 3.054 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCCCC1(F)F ZINC000394657965 397695745 /nfs/dbraw/zinc/69/57/45/397695745.db2.gz MYZAOCVNQQSBLL-CHWSQXEVSA-N 1 3 262.388 3.117 20 0 CGADHO c1cc2c(c(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704320 397897825 /nfs/dbraw/zinc/89/78/25/397897825.db2.gz SZMJEWAKVITMEX-VQIMIIECSA-N 1 3 284.447 3.139 20 0 CGADHO C[C@H]1CCCN(Cc2cccc(OC(F)F)c2)[C@@H]1CC[NH3+] ZINC000650710943 397899014 /nfs/dbraw/zinc/89/90/14/397899014.db2.gz DGALQOMNFRKOGN-SWLSCSKDSA-N 1 3 298.377 3.237 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cccc(Cl)c1 ZINC000650718539 397901569 /nfs/dbraw/zinc/90/15/69/397901569.db2.gz QNENJFVISVYVMK-UHFFFAOYSA-N 1 3 274.795 3.349 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(F)c1 ZINC000650759789 397911265 /nfs/dbraw/zinc/91/12/65/397911265.db2.gz QBSDOLAEYBPDFJ-ZDUSSCGKSA-N 1 3 272.367 3.396 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)N2 ZINC000650761397 397911606 /nfs/dbraw/zinc/91/16/06/397911606.db2.gz ZBLPMCQKNXOPKT-KZNAEPCWSA-N 1 3 299.462 3.020 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)N2 ZINC000650761397 397911612 /nfs/dbraw/zinc/91/16/12/397911612.db2.gz ZBLPMCQKNXOPKT-KZNAEPCWSA-N 1 3 299.462 3.020 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677238193 543440944 /nfs/dbraw/zinc/44/09/44/543440944.db2.gz WUTDCWGAIDOMCI-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677238193 543440946 /nfs/dbraw/zinc/44/09/46/543440946.db2.gz WUTDCWGAIDOMCI-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000677241162 543441089 /nfs/dbraw/zinc/44/10/89/543441089.db2.gz MNHZRKXYUGPOJZ-LUKYLMHMSA-N 1 3 294.483 3.187 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000677241162 543441091 /nfs/dbraw/zinc/44/10/91/543441091.db2.gz MNHZRKXYUGPOJZ-LUKYLMHMSA-N 1 3 294.483 3.187 20 0 CGADHO CCOCCC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423002959 286048058 /nfs/dbraw/zinc/04/80/58/286048058.db2.gz KIHXPMUYUCRKSX-JKSUJKDBSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c(C)n1 ZINC000678414252 543522325 /nfs/dbraw/zinc/52/23/25/543522325.db2.gz ROTYYEHLPKAFPF-OAHLLOKOSA-N 1 3 287.451 3.223 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCNC2)c(C)c1 ZINC000423321498 292196036 /nfs/dbraw/zinc/19/60/36/292196036.db2.gz GFUSCZULWBYZBT-NVXWUHKLSA-N 1 3 260.425 3.344 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000678898800 543570515 /nfs/dbraw/zinc/57/05/15/543570515.db2.gz SUWQMLNOEBMGPJ-NZSAHSFTSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000554384903 289280171 /nfs/dbraw/zinc/28/01/71/289280171.db2.gz NQXWFPRZDSJJFI-DJIMGWMZSA-N 1 3 264.457 3.133 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CC)C2)C12CCCCC2 ZINC000226811099 286283863 /nfs/dbraw/zinc/28/38/63/286283863.db2.gz DDNDWAZHZHFTNK-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423220985 292260068 /nfs/dbraw/zinc/26/00/68/292260068.db2.gz YZOFMQKMJIKBAS-CRAIPNDOSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@@H]2CCCNC2)C2CCC2)cc1 ZINC000423220985 292260070 /nfs/dbraw/zinc/26/00/70/292260070.db2.gz YZOFMQKMJIKBAS-CRAIPNDOSA-N 1 3 272.436 3.425 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089143709 286569400 /nfs/dbraw/zinc/56/94/00/286569400.db2.gz KCCRCVXFHTVWNA-YSVLISHTSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469793 287023478 /nfs/dbraw/zinc/02/34/78/287023478.db2.gz LSIRANZQIHCTMS-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469793 287023479 /nfs/dbraw/zinc/02/34/79/287023479.db2.gz LSIRANZQIHCTMS-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)[C@]1(C)CCCO1 ZINC000340469793 287023480 /nfs/dbraw/zinc/02/34/80/287023480.db2.gz LSIRANZQIHCTMS-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H](N[C@@H](C)c1cc2c(s1)CCC2)[C@H]1CCC[NH2+]C1 ZINC000423218380 287050463 /nfs/dbraw/zinc/05/04/63/287050463.db2.gz RXJPFBBCBOHCPE-DYEKYZERSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCC2)[C@H]1CCCNC1 ZINC000423218380 287050466 /nfs/dbraw/zinc/05/04/66/287050466.db2.gz RXJPFBBCBOHCPE-DYEKYZERSA-N 1 3 278.465 3.276 20 0 CGADHO CCCCCOc1ccc(CN2CCC(C[NH3+])CC2)cc1 ZINC000066152249 165033776 /nfs/dbraw/zinc/03/37/76/165033776.db2.gz IWSNKOHCCVAGLJ-UHFFFAOYSA-N 1 3 290.451 3.426 20 0 CGADHO COCc1ccc(C[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000088568027 165194937 /nfs/dbraw/zinc/19/49/37/165194937.db2.gz QHYDHGGSGAQZCW-MRXNPFEDSA-N 1 3 290.451 3.045 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089146065 165200901 /nfs/dbraw/zinc/20/09/01/165200901.db2.gz UYQMRGPNRYRFQN-MAUKXSAKSA-N 1 3 268.404 3.447 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc2ccccc21 ZINC000089146065 165200905 /nfs/dbraw/zinc/20/09/05/165200905.db2.gz UYQMRGPNRYRFQN-MAUKXSAKSA-N 1 3 268.404 3.447 20 0 CGADHO CCCC[C@@H](COC)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585996 287103137 /nfs/dbraw/zinc/10/31/37/287103137.db2.gz LMAXYEKGPNCFIN-SJORKVTESA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@@H](COC)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585996 287103138 /nfs/dbraw/zinc/10/31/38/287103138.db2.gz LMAXYEKGPNCFIN-SJORKVTESA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@@H](COC)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000090585996 287103142 /nfs/dbraw/zinc/10/31/42/287103142.db2.gz LMAXYEKGPNCFIN-SJORKVTESA-N 1 3 284.488 3.149 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc3ccccc32)C1 ZINC000093215825 165323951 /nfs/dbraw/zinc/32/39/51/165323951.db2.gz CYYIOXNDSSDPKH-JKSUJKDBSA-N 1 3 254.377 3.199 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093861257 165338216 /nfs/dbraw/zinc/33/82/16/165338216.db2.gz KSBXKBSRTNXGRK-CQSZACIVSA-N 1 3 252.377 3.194 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)CN ZINC000093861257 165338218 /nfs/dbraw/zinc/33/82/18/165338218.db2.gz KSBXKBSRTNXGRK-CQSZACIVSA-N 1 3 252.377 3.194 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)CN ZINC000093861257 165338220 /nfs/dbraw/zinc/33/82/20/165338220.db2.gz KSBXKBSRTNXGRK-CQSZACIVSA-N 1 3 252.377 3.194 20 0 CGADHO Cc1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000094182968 165346505 /nfs/dbraw/zinc/34/65/05/165346505.db2.gz BDXWKICOXHBVHF-KSZLIROESA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCCC1(C)C)CN1CCCC1 ZINC000094279474 287122128 /nfs/dbraw/zinc/12/21/28/287122128.db2.gz KEGHDTCTUQLKCF-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000122237729 287207724 /nfs/dbraw/zinc/20/77/24/287207724.db2.gz KOKRUSIEMYOBIY-ZBFHGGJFSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000122237729 287207726 /nfs/dbraw/zinc/20/77/26/287207726.db2.gz KOKRUSIEMYOBIY-ZBFHGGJFSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000124253270 287231346 /nfs/dbraw/zinc/23/13/46/287231346.db2.gz ZGFVJRRCWOKFJZ-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO CCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000020188950 171054014 /nfs/dbraw/zinc/05/40/14/171054014.db2.gz ZGUOMUWCDDEKPW-UHFFFAOYSA-N 1 3 276.424 3.048 20 0 CGADHO CC[NH+](CC)CCNc1cc(C)nc2ccccc21 ZINC000035206335 172049988 /nfs/dbraw/zinc/04/99/88/172049988.db2.gz JWPHWAMVVRGJQO-UHFFFAOYSA-N 1 3 257.381 3.297 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C)c1 ZINC000285719790 196377573 /nfs/dbraw/zinc/37/75/73/196377573.db2.gz QCBZDZPWUCSSHT-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(C)c1 ZINC000285719790 196377574 /nfs/dbraw/zinc/37/75/74/196377574.db2.gz QCBZDZPWUCSSHT-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719790 196377576 /nfs/dbraw/zinc/37/75/76/196377576.db2.gz QCBZDZPWUCSSHT-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422727812 287282836 /nfs/dbraw/zinc/28/28/36/287282836.db2.gz HYZGOZJJBBKPJN-QXSJWSMHSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC2)CC1 ZINC000336613983 287311005 /nfs/dbraw/zinc/31/10/05/287311005.db2.gz PKWYKWNXEXZLFS-CZUORRHYSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CCC2)CC1 ZINC000336613983 287311006 /nfs/dbraw/zinc/31/10/06/287311006.db2.gz PKWYKWNXEXZLFS-CZUORRHYSA-N 1 3 250.430 3.172 20 0 CGADHO CCc1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000052204638 416479008 /nfs/dbraw/zinc/47/90/08/416479008.db2.gz SDJGVTHCICPYLD-ROUUACIJSA-N 1 3 272.436 3.213 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCOCc2ccccc2)[C@H]1CCN ZINC000404411881 416554274 /nfs/dbraw/zinc/55/42/74/416554274.db2.gz YIZAFGAFBCOAOS-AEFFLSMTSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@H]1CCN ZINC000404411881 416554277 /nfs/dbraw/zinc/55/42/77/416554277.db2.gz YIZAFGAFBCOAOS-AEFFLSMTSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)[C@@H]1CCN ZINC000404382746 416555661 /nfs/dbraw/zinc/55/56/61/416555661.db2.gz NDUBHOUNGPXMAT-BFYDXBDKSA-N 1 3 288.435 3.002 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)[C@@H]1CCN ZINC000404382746 416555664 /nfs/dbraw/zinc/55/56/64/416555664.db2.gz NDUBHOUNGPXMAT-BFYDXBDKSA-N 1 3 288.435 3.002 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]Cc2cccc3c2CCNC3)C1 ZINC000133188613 416516568 /nfs/dbraw/zinc/51/65/68/416516568.db2.gz BXIBIFBRBGMZNU-OAHLLOKOSA-N 1 3 258.409 3.001 20 0 CGADHO C[C@H]1CCCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681494501 543792317 /nfs/dbraw/zinc/79/23/17/543792317.db2.gz RLPFCRZCVSBGTQ-INIZCTEOSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H]1CCCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681494501 543792319 /nfs/dbraw/zinc/79/23/19/543792319.db2.gz RLPFCRZCVSBGTQ-INIZCTEOSA-N 1 3 290.451 3.249 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682069806 543819891 /nfs/dbraw/zinc/81/98/91/543819891.db2.gz ADLABSAOMFIACS-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682069806 543819894 /nfs/dbraw/zinc/81/98/94/543819894.db2.gz ADLABSAOMFIACS-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069806 543819897 /nfs/dbraw/zinc/81/98/97/543819897.db2.gz ADLABSAOMFIACS-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682069806 543819899 /nfs/dbraw/zinc/81/98/99/543819899.db2.gz ADLABSAOMFIACS-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000683888808 543950071 /nfs/dbraw/zinc/95/00/71/543950071.db2.gz KXWGCBACJOVPFG-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685410741 544065959 /nfs/dbraw/zinc/06/59/59/544065959.db2.gz LAYATAWLAVHUTC-QTLSWZBMSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685410741 544065962 /nfs/dbraw/zinc/06/59/62/544065962.db2.gz LAYATAWLAVHUTC-QTLSWZBMSA-N 1 3 294.389 3.252 20 0 CGADHO COc1cccc(C2(N[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000658323474 418934886 /nfs/dbraw/zinc/93/48/86/418934886.db2.gz LWKNKQNMYJRNCZ-HOCLYGCPSA-N 1 3 288.435 3.147 20 0 CGADHO COc1cccc(C2(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000658323474 418934887 /nfs/dbraw/zinc/93/48/87/418934887.db2.gz LWKNKQNMYJRNCZ-HOCLYGCPSA-N 1 3 288.435 3.147 20 0 CGADHO C[C@H](C[NH+]1CCC(C)CC1)Nc1nccc2[nH]ccc21 ZINC000664454707 418960721 /nfs/dbraw/zinc/96/07/21/418960721.db2.gz NUMHTJXKZLHIAZ-CYBMUJFWSA-N 1 3 272.396 3.095 20 0 CGADHO CO[C@H](CN(C)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000659869644 419022023 /nfs/dbraw/zinc/02/20/23/419022023.db2.gz YCPWDMCWQUHYKJ-GOSISDBHSA-N 1 3 296.499 3.386 20 0 CGADHO C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659945148 419041679 /nfs/dbraw/zinc/04/16/79/419041679.db2.gz SIEUBDITDSISOK-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccnc2ccccc12 ZINC000665238702 419088535 /nfs/dbraw/zinc/08/85/35/419088535.db2.gz ARVGEHFHXACMEC-SJLPKXTDSA-N 1 3 283.419 3.027 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665246443 419089973 /nfs/dbraw/zinc/08/99/73/419089973.db2.gz FZFOSDGGNSEHSF-KBRIMQKVSA-N 1 3 288.435 3.048 20 0 CGADHO NC1(C[NH2+][C@H]2CCCCc3ccccc32)CCCC1 ZINC000665249709 419091731 /nfs/dbraw/zinc/09/17/31/419091731.db2.gz XJMOYLWKQXRDLE-INIZCTEOSA-N 1 3 258.409 3.315 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665248760 419092106 /nfs/dbraw/zinc/09/21/06/419092106.db2.gz BVWPEUGINYFDGQ-AWEZNQCLSA-N 1 3 298.434 3.103 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665248760 419092110 /nfs/dbraw/zinc/09/21/10/419092110.db2.gz BVWPEUGINYFDGQ-AWEZNQCLSA-N 1 3 298.434 3.103 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC2(N)CCCC2)c(C)s1 ZINC000665249125 419092222 /nfs/dbraw/zinc/09/22/22/419092222.db2.gz KAERHQULXVENAG-LLVKDONJSA-N 1 3 252.427 3.287 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274187 419097557 /nfs/dbraw/zinc/09/75/57/419097557.db2.gz LMXLBUCEYLNOCP-NIKGAXFTSA-N 1 3 295.430 3.446 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc(Br)c1 ZINC000665279573 419101115 /nfs/dbraw/zinc/10/11/15/419101115.db2.gz GHWORVZEGTVJTE-SMDDNHRTSA-N 1 3 299.256 3.473 20 0 CGADHO C[C@H]([NH2+]CC12CC(C1)CN2)C1(c2ccccc2)CCCC1 ZINC000665279183 419101317 /nfs/dbraw/zinc/10/13/17/419101317.db2.gz YSPISJVQZZFBRK-HJOIGYKYSA-N 1 3 284.447 3.229 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](CC1CC1)c1ccccc1 ZINC000665280921 419101659 /nfs/dbraw/zinc/10/16/59/419101659.db2.gz PHVAUCAKGUJRDU-IAGOWNOFSA-N 1 3 260.425 3.491 20 0 CGADHO COCCC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(F)cc1 ZINC000665282152 419102788 /nfs/dbraw/zinc/10/27/88/419102788.db2.gz RWANOKLROHZWJN-SJORKVTESA-N 1 3 296.430 3.256 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)C1CCCCC1 ZINC000665283170 419103032 /nfs/dbraw/zinc/10/30/32/419103032.db2.gz ISZSZPWMIOAMGG-FMKPAKJESA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000665281562 419103133 /nfs/dbraw/zinc/10/31/33/419103133.db2.gz GWIBYHNAIVCYSN-HUUCEWRRSA-N 1 3 252.446 3.452 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C2 ZINC000665281786 419103245 /nfs/dbraw/zinc/10/32/45/419103245.db2.gz KPXGFJOMSFRJIG-XYPHTWIQSA-N 1 3 260.425 3.191 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282351 419103819 /nfs/dbraw/zinc/10/38/19/419103819.db2.gz WFEUEPMTPAEOGQ-BRWVUGGUSA-N 1 3 289.467 3.379 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H](NCC[C@@H]([NH3+])C(C)C)C1 ZINC000665282351 419103824 /nfs/dbraw/zinc/10/38/24/419103824.db2.gz WFEUEPMTPAEOGQ-BRWVUGGUSA-N 1 3 289.467 3.379 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](COCc1ccccc1)C(C)C ZINC000665281600 419103854 /nfs/dbraw/zinc/10/38/54/419103854.db2.gz HNKFFGOFCNEVKE-MSOLQXFVSA-N 1 3 292.467 3.191 20 0 CGADHO CCC(CC)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000665300566 419112062 /nfs/dbraw/zinc/11/20/62/419112062.db2.gz FCLPEVFHGRQAHM-JKSUJKDBSA-N 1 3 278.415 3.353 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](CC)CC(F)F)C1 ZINC000659982729 419051625 /nfs/dbraw/zinc/05/16/25/419051625.db2.gz VQAQRMCJLVODTC-KGLIPLIRSA-N 1 3 276.415 3.332 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](CC)CC(F)F)C1 ZINC000659982729 419051626 /nfs/dbraw/zinc/05/16/26/419051626.db2.gz VQAQRMCJLVODTC-KGLIPLIRSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982729 419051630 /nfs/dbraw/zinc/05/16/30/419051630.db2.gz VQAQRMCJLVODTC-KGLIPLIRSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982729 419051633 /nfs/dbraw/zinc/05/16/33/419051633.db2.gz VQAQRMCJLVODTC-KGLIPLIRSA-N 1 3 276.415 3.332 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](N[C@@H](C)CC[NH+](C)C)CC2 ZINC000655703443 419070092 /nfs/dbraw/zinc/07/00/92/419070092.db2.gz QKSVJJAAYCQQTI-GOEBONIOSA-N 1 3 260.425 3.221 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656197970 419148280 /nfs/dbraw/zinc/14/82/80/419148280.db2.gz SEXAJSRCRKQQGR-LSDHHAIUSA-N 1 3 276.424 3.048 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197433 419148639 /nfs/dbraw/zinc/14/86/39/419148639.db2.gz IYQBEMPUHCQLTA-IAGOWNOFSA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197433 419148643 /nfs/dbraw/zinc/14/86/43/419148643.db2.gz IYQBEMPUHCQLTA-IAGOWNOFSA-N 1 3 290.426 3.497 20 0 CGADHO Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000656196776 419148714 /nfs/dbraw/zinc/14/87/14/419148714.db2.gz FVPMFMSWVUSWPA-SJORKVTESA-N 1 3 260.425 3.096 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000656201116 419149393 /nfs/dbraw/zinc/14/93/93/419149393.db2.gz KDSXYPZGMBNTNB-APHBMKBZSA-N 1 3 276.424 3.172 20 0 CGADHO Cc1cccc(C2(N[C@@H]3CCC[C@H]([NH3+])C3)CCC2)c1 ZINC000656200395 419149415 /nfs/dbraw/zinc/14/94/15/419149415.db2.gz MBJZEXCIOGAYNP-JKSUJKDBSA-N 1 3 258.409 3.234 20 0 CGADHO Clc1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000656466422 419175520 /nfs/dbraw/zinc/17/55/20/419175520.db2.gz DKDGSNLIHSSTQO-UHFFFAOYSA-N 1 3 291.782 3.087 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785210 419218730 /nfs/dbraw/zinc/21/87/30/419218730.db2.gz KPUDXYDRXLDHPU-INIZCTEOSA-N 1 3 290.426 3.346 20 0 CGADHO Fc1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1F ZINC000656785978 419219197 /nfs/dbraw/zinc/21/91/97/419219197.db2.gz OSGZQVQTIUZBLI-AWEZNQCLSA-N 1 3 294.389 3.176 20 0 CGADHO C(=C\c1ccccc1)\CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786662 419219279 /nfs/dbraw/zinc/21/92/79/419219279.db2.gz VUJRQJBLWJIQBC-ZXYDQQDNSA-N 1 3 284.447 3.411 20 0 CGADHO COc1ccc(C[NH2+]CC2(N)CCCC2)c2ccccc12 ZINC000656788369 419219360 /nfs/dbraw/zinc/21/93/60/419219360.db2.gz LPDYJKBXCSLORU-UHFFFAOYSA-N 1 3 284.403 3.210 20 0 CGADHO N[C@@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C1CC1 ZINC000656786676 419220079 /nfs/dbraw/zinc/22/00/79/419220079.db2.gz OTHJFYMRNNXMPJ-KRWDZBQOSA-N 1 3 258.409 3.171 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000656790632 419221025 /nfs/dbraw/zinc/22/10/25/419221025.db2.gz FMRUUYQZGZMWIM-WNRNVDISSA-N 1 3 270.420 3.184 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H](C)C[C@@H]1CCC[NH2+]1)[C@@H](C)C2 ZINC000656791720 419221472 /nfs/dbraw/zinc/22/14/72/419221472.db2.gz JGMBCJTXZJVNKA-JSSFPYSZSA-N 1 3 272.436 3.349 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662198923 419358087 /nfs/dbraw/zinc/35/80/87/419358087.db2.gz XNPKSPJLCQPFMZ-SJORKVTESA-N 1 3 272.436 3.133 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000662198923 419358094 /nfs/dbraw/zinc/35/80/94/419358094.db2.gz XNPKSPJLCQPFMZ-SJORKVTESA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198923 419358098 /nfs/dbraw/zinc/35/80/98/419358098.db2.gz XNPKSPJLCQPFMZ-SJORKVTESA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198923 419358105 /nfs/dbraw/zinc/35/81/05/419358105.db2.gz XNPKSPJLCQPFMZ-SJORKVTESA-N 1 3 272.436 3.133 20 0 CGADHO NCC12CC(C1)C[N@@H+]2Cc1ccc(-c2ccccc2)cc1 ZINC000662308180 419387990 /nfs/dbraw/zinc/38/79/90/419387990.db2.gz OUEIWCUKVHRVMJ-UHFFFAOYSA-N 1 3 278.399 3.277 20 0 CGADHO NCC12CC(C1)C[N@H+]2Cc1ccc(-c2ccccc2)cc1 ZINC000662308180 419387995 /nfs/dbraw/zinc/38/79/95/419387995.db2.gz OUEIWCUKVHRVMJ-UHFFFAOYSA-N 1 3 278.399 3.277 20 0 CGADHO c1coc(C2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000662297916 419388020 /nfs/dbraw/zinc/38/80/20/419388020.db2.gz IYSYQFXGDGMCEQ-UHFFFAOYSA-N 1 3 296.414 3.305 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657864416 419394489 /nfs/dbraw/zinc/39/44/89/419394489.db2.gz ZZZPOKYEOLKYCD-ZIAGYGMSSA-N 1 3 287.407 3.210 20 0 CGADHO CO[C@H](CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265538 419376919 /nfs/dbraw/zinc/37/69/19/419376919.db2.gz QRSDKRSQIAOTNP-RCCFBDPRSA-N 1 3 294.483 3.046 20 0 CGADHO CC1([NH3+])CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000662271575 419379368 /nfs/dbraw/zinc/37/93/68/419379368.db2.gz XENUFCTZKSNQQY-NVXWUHKLSA-N 1 3 272.436 3.384 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662276880 419382575 /nfs/dbraw/zinc/38/25/75/419382575.db2.gz MOGIEOAECDJGJZ-NVXWUHKLSA-N 1 3 272.436 3.084 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCC[C@H]1CCc2ccccc21 ZINC000662276880 419382578 /nfs/dbraw/zinc/38/25/78/419382578.db2.gz MOGIEOAECDJGJZ-NVXWUHKLSA-N 1 3 272.436 3.084 20 0 CGADHO Cc1cccc(C)c1[C@@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000662294870 419384943 /nfs/dbraw/zinc/38/49/43/419384943.db2.gz FWLNIPLSCCCAKK-CVEARBPZSA-N 1 3 258.409 3.050 20 0 CGADHO CC(C)c1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000663314244 419549262 /nfs/dbraw/zinc/54/92/62/419549262.db2.gz BBXHFYKAZLOEQA-MRXNPFEDSA-N 1 3 272.436 3.384 20 0 CGADHO C([NH2+]C1CCCCC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663346973 419565965 /nfs/dbraw/zinc/56/59/65/419565965.db2.gz DMHMXGAPSFDLNQ-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C[NH2+]C[C@H](C)N[C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000663511925 419641101 /nfs/dbraw/zinc/64/11/01/419641101.db2.gz ZKCIZYXFDHIMPT-UAGQMJEPSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000663503906 419639574 /nfs/dbraw/zinc/63/95/74/419639574.db2.gz UXUYLUBKMANFDI-GHMZBOCLSA-N 1 3 254.340 3.071 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468522 419618747 /nfs/dbraw/zinc/61/87/47/419618747.db2.gz LRRQZJDNFNKOAK-HYVNUMGLSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C(C)(C)O1 ZINC000663468821 419619929 /nfs/dbraw/zinc/61/99/29/419619929.db2.gz MWOYJXXHMAEHIK-JKSUJKDBSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468821 419619940 /nfs/dbraw/zinc/61/99/40/419619940.db2.gz MWOYJXXHMAEHIK-JKSUJKDBSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468821 419619947 /nfs/dbraw/zinc/61/99/47/419619947.db2.gz MWOYJXXHMAEHIK-JKSUJKDBSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000037786299 260118053 /nfs/dbraw/zinc/11/80/53/260118053.db2.gz VQUAMORTYZPSMQ-UHFFFAOYSA-N 1 3 260.425 3.348 20 0 CGADHO FC1(F)CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000390596931 262224556 /nfs/dbraw/zinc/22/45/56/262224556.db2.gz SXPAHMWAAIFXTD-ZDUSSCGKSA-N 1 3 295.377 3.075 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCC1(F)F ZINC000390661473 262236599 /nfs/dbraw/zinc/23/65/99/262236599.db2.gz LXOSIMFQJWIWBY-MGPQQGTHSA-N 1 3 274.399 3.322 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCCCC1 ZINC000189272859 264286414 /nfs/dbraw/zinc/28/64/14/264286414.db2.gz WUXYIHBFIQHCTJ-IAGOWNOFSA-N 1 3 296.499 3.436 20 0 CGADHO COCCC1(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)CCCCC1 ZINC000189272838 264287017 /nfs/dbraw/zinc/28/70/17/264287017.db2.gz WUXYIHBFIQHCTJ-IRXDYDNUSA-N 1 3 296.499 3.436 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535593 270036351 /nfs/dbraw/zinc/03/63/51/270036351.db2.gz VENNCFXHOZABQN-HOCLYGCPSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535593 270036352 /nfs/dbraw/zinc/03/63/52/270036352.db2.gz VENNCFXHOZABQN-HOCLYGCPSA-N 1 3 260.425 3.241 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534792 270036387 /nfs/dbraw/zinc/03/63/87/270036387.db2.gz JCJGFEBQUXROGV-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534792 270036388 /nfs/dbraw/zinc/03/63/88/270036388.db2.gz JCJGFEBQUXROGV-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044535673 270036474 /nfs/dbraw/zinc/03/64/74/270036474.db2.gz CSBCYAVVDRUCEB-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044535673 270036475 /nfs/dbraw/zinc/03/64/75/270036475.db2.gz CSBCYAVVDRUCEB-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044532540 270036578 /nfs/dbraw/zinc/03/65/78/270036578.db2.gz DWCCRTQRYIFQCY-STQMWFEESA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044532540 270036579 /nfs/dbraw/zinc/03/65/79/270036579.db2.gz DWCCRTQRYIFQCY-STQMWFEESA-N 1 3 266.454 3.303 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533762 270036687 /nfs/dbraw/zinc/03/66/87/270036687.db2.gz XVYCUXYWEMFAND-QWHCGFSZSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533762 270036689 /nfs/dbraw/zinc/03/66/89/270036689.db2.gz XVYCUXYWEMFAND-QWHCGFSZSA-N 1 3 298.377 3.280 20 0 CGADHO CCO[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000085380347 270043526 /nfs/dbraw/zinc/04/35/26/270043526.db2.gz RTWYYCDHEAVSOU-UONOGXRCSA-N 1 3 282.472 3.089 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000085380347 270043527 /nfs/dbraw/zinc/04/35/27/270043527.db2.gz RTWYYCDHEAVSOU-UONOGXRCSA-N 1 3 282.472 3.089 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000186502440 270066164 /nfs/dbraw/zinc/06/61/64/270066164.db2.gz DNFFAGTZDVMDII-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCC(CC)[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000305134367 270092390 /nfs/dbraw/zinc/09/23/90/270092390.db2.gz NYUFNIACWDEBDM-SFHVURJKSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(CC)[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305134367 270092391 /nfs/dbraw/zinc/09/23/91/270092391.db2.gz NYUFNIACWDEBDM-SFHVURJKSA-N 1 3 296.499 3.170 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529528562 270182422 /nfs/dbraw/zinc/18/24/22/270182422.db2.gz JZRIYGACPDUWAH-KRWDZBQOSA-N 1 3 285.435 3.474 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529528562 270182423 /nfs/dbraw/zinc/18/24/23/270182423.db2.gz JZRIYGACPDUWAH-KRWDZBQOSA-N 1 3 285.435 3.474 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530215541 270195588 /nfs/dbraw/zinc/19/55/88/270195588.db2.gz HGVVRGHVNZXWGR-XGUBFFRZSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530215541 270195589 /nfs/dbraw/zinc/19/55/89/270195589.db2.gz HGVVRGHVNZXWGR-XGUBFFRZSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H](CCc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530217373 270195989 /nfs/dbraw/zinc/19/59/89/270195989.db2.gz GSSKYPMUPZKOFB-XNHLSEOASA-N 1 3 272.436 3.270 20 0 CGADHO CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000530217351 270196154 /nfs/dbraw/zinc/19/61/54/270196154.db2.gz GQBWOAYSZNLNRU-GVDBMIGSSA-N 1 3 260.425 3.257 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530219334 270196162 /nfs/dbraw/zinc/19/61/62/270196162.db2.gz LJKWGZGXANDNSC-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219334 270196163 /nfs/dbraw/zinc/19/61/63/270196163.db2.gz LJKWGZGXANDNSC-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO Clc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000531688880 270208796 /nfs/dbraw/zinc/20/87/96/270208796.db2.gz DPZFEQSFAILKEX-INIZCTEOSA-N 1 3 278.827 3.403 20 0 CGADHO COCC[N@H+](C)CCCN[C@H]1CC[C@H](C)c2ccccc21 ZINC000360037664 274022655 /nfs/dbraw/zinc/02/26/55/274022655.db2.gz KWFGDGOGYGHCQJ-YJBOKZPZSA-N 1 3 290.451 3.183 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H]1CC[C@H](C)c2ccccc21 ZINC000360037664 274022656 /nfs/dbraw/zinc/02/26/56/274022656.db2.gz KWFGDGOGYGHCQJ-YJBOKZPZSA-N 1 3 290.451 3.183 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)[C@H](C)N ZINC000423452418 274257544 /nfs/dbraw/zinc/25/75/44/274257544.db2.gz WGOYLGSEUJSCEX-IMSIIYSGSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2SCCc3ccccc32)CC[N@@H+]1C ZINC000361967766 274392338 /nfs/dbraw/zinc/39/23/38/274392338.db2.gz WSXKWVKELWYQEH-KMFMINBZSA-N 1 3 290.476 3.089 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967766 274392339 /nfs/dbraw/zinc/39/23/39/274392339.db2.gz WSXKWVKELWYQEH-KMFMINBZSA-N 1 3 290.476 3.089 20 0 CGADHO c1ccc(CC[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC000469880103 275066723 /nfs/dbraw/zinc/06/67/23/275066723.db2.gz PPASIFRWEZKJIH-GOSISDBHSA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc(CC[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC000469880103 275066724 /nfs/dbraw/zinc/06/67/24/275066724.db2.gz PPASIFRWEZKJIH-GOSISDBHSA-N 1 3 286.463 3.473 20 0 CGADHO C(CC1CCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000251419434 275390376 /nfs/dbraw/zinc/39/03/76/275390376.db2.gz SBAKFFGPGBZUEX-GVDBMIGSSA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCNCC1 ZINC000415109361 275672220 /nfs/dbraw/zinc/67/22/20/275672220.db2.gz PIUOCGPYXORZCZ-DLBZAZTESA-N 1 3 278.415 3.125 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337987440 275938784 /nfs/dbraw/zinc/93/87/84/275938784.db2.gz KVDNPXFGFHRKNS-IAGOWNOFSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)CS1 ZINC000488563003 276001815 /nfs/dbraw/zinc/00/18/15/276001815.db2.gz SYJNZMRWKLYTSI-JYJNAYRXSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCC[C@H](C)[NH+]2CCCCC2)CS1 ZINC000488563003 276001816 /nfs/dbraw/zinc/00/18/16/276001816.db2.gz SYJNZMRWKLYTSI-JYJNAYRXSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@H](CN1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427099261 276016632 /nfs/dbraw/zinc/01/66/32/276016632.db2.gz GXJOCIQKHXLOGO-OKZBNKHCSA-N 1 3 272.436 3.110 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422693559 276019105 /nfs/dbraw/zinc/01/91/05/276019105.db2.gz MGIRRTVKEBOAOZ-YJBOKZPZSA-N 1 3 290.451 3.220 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534200 276028611 /nfs/dbraw/zinc/02/86/11/276028611.db2.gz ZPEHIMZPJUHKES-LXWWYSJOSA-N 1 3 276.468 3.164 20 0 CGADHO CCC[C@H](Cc1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000414956894 276042344 /nfs/dbraw/zinc/04/23/44/276042344.db2.gz QHNKPEKKVDFOKX-DJIMGWMZSA-N 1 3 260.425 3.128 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288618 276307341 /nfs/dbraw/zinc/30/73/41/276307341.db2.gz QUWNVETUQYDMMC-PVAVHDDUSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000428288618 276307342 /nfs/dbraw/zinc/30/73/42/276307342.db2.gz QUWNVETUQYDMMC-PVAVHDDUSA-N 1 3 264.457 3.252 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000346436234 276763300 /nfs/dbraw/zinc/76/33/00/276763300.db2.gz DXYOHXBEWPGTPB-INIZCTEOSA-N 1 3 290.451 3.295 20 0 CGADHO C[NH+]1CCC(CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000336228882 277026808 /nfs/dbraw/zinc/02/68/08/277026808.db2.gz KBMYAQLERCBFJK-ZDUSSCGKSA-N 1 3 298.352 3.023 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000358356104 277152253 /nfs/dbraw/zinc/15/22/53/277152253.db2.gz OEBAKEJIQMICRS-KRWDZBQOSA-N 1 3 287.451 3.385 20 0 CGADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423211669 277451088 /nfs/dbraw/zinc/45/10/88/277451088.db2.gz LCHBQEJRGVBGJI-ARFHVFGLSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC[C@H]1CCCCN1C ZINC000348267617 278076468 /nfs/dbraw/zinc/07/64/68/278076468.db2.gz BNHHAFAVTWVWPP-UPJWGTAASA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCCCN1C ZINC000348267617 278076470 /nfs/dbraw/zinc/07/64/70/278076470.db2.gz BNHHAFAVTWVWPP-UPJWGTAASA-N 1 3 278.362 3.134 20 0 CGADHO CSCC1CCC(NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423404261 278127197 /nfs/dbraw/zinc/12/71/97/278127197.db2.gz ZPJBJLJRACXMGI-YMAMQOFZSA-N 1 3 284.513 3.276 20 0 CGADHO CC1(C)CCC([NH2+]Cc2ccc3c(c2)CNC3)CC1 ZINC000423402954 278200767 /nfs/dbraw/zinc/20/07/67/278200767.db2.gz WUMFONQYWSNHRP-UHFFFAOYSA-N 1 3 258.409 3.348 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000397258912 288022160 /nfs/dbraw/zinc/02/21/60/288022160.db2.gz JHEJDPZSKOSZAL-TYNCELHUSA-N 1 3 282.378 3.429 20 0 CGADHO C[C@@H](C[N@H+](C)C1CC(N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414765292 278240590 /nfs/dbraw/zinc/24/05/90/278240590.db2.gz BNLQZKMEWFBIQN-FNBIGBAISA-N 1 3 286.341 3.230 20 0 CGADHO C[C@@H](C[N@@H+](C)C1CC(N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414765292 278240591 /nfs/dbraw/zinc/24/05/91/278240591.db2.gz BNLQZKMEWFBIQN-FNBIGBAISA-N 1 3 286.341 3.230 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000411516653 278261268 /nfs/dbraw/zinc/26/12/68/278261268.db2.gz KIGZLSJVNBMUNM-UXLLHSPISA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@@H]1CCC(C)(C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516653 278261271 /nfs/dbraw/zinc/26/12/71/278261271.db2.gz KIGZLSJVNBMUNM-UXLLHSPISA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@@H]1CCC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516653 278261273 /nfs/dbraw/zinc/26/12/73/278261273.db2.gz KIGZLSJVNBMUNM-UXLLHSPISA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000311163062 278297276 /nfs/dbraw/zinc/29/72/76/278297276.db2.gz MWLIJHKXHMSDQD-KGLIPLIRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000422806180 278363297 /nfs/dbraw/zinc/36/32/97/278363297.db2.gz MVXIDBMINFDIHM-GARJFASQSA-N 1 3 274.330 3.482 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCCC2)[C@H](C)N ZINC000423452050 278364079 /nfs/dbraw/zinc/36/40/79/278364079.db2.gz VVUHMFHANVBRLD-AXFHLTTASA-N 1 3 252.427 3.013 20 0 CGADHO CC(C)[NH2+]C1CCN(CC(C(C)C)C(C)C)CC1 ZINC000517020534 288130901 /nfs/dbraw/zinc/13/09/01/288130901.db2.gz JYXZBSGYQREVOU-UHFFFAOYSA-N 1 3 254.462 3.377 20 0 CGADHO CC(C)NC1CC[NH+](CC(C(C)C)C(C)C)CC1 ZINC000517020534 288130904 /nfs/dbraw/zinc/13/09/04/288130904.db2.gz JYXZBSGYQREVOU-UHFFFAOYSA-N 1 3 254.462 3.377 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000520618933 288135174 /nfs/dbraw/zinc/13/51/74/288135174.db2.gz CAOOHPRHGHETQM-MEQKGCOVSA-N 1 3 284.447 3.364 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000520618933 288135178 /nfs/dbraw/zinc/13/51/78/288135178.db2.gz CAOOHPRHGHETQM-MEQKGCOVSA-N 1 3 284.447 3.364 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC(C[NH2+]C)CC1 ZINC000430933161 288153750 /nfs/dbraw/zinc/15/37/50/288153750.db2.gz HGYVJMCQVGDQPO-MRXNPFEDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC23CCCC3)C[C@@H](C)O1 ZINC000249060388 288161547 /nfs/dbraw/zinc/16/15/47/288161547.db2.gz JKIFDTIKWMFLKF-ZACQAIPSSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H](c1ccccc1OC)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508392 288169130 /nfs/dbraw/zinc/16/91/30/288169130.db2.gz LBOGPWWLBPYYCQ-FRFSOERESA-N 1 3 276.424 3.063 20 0 CGADHO CC[C@H](c1ccccc1OC)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508392 288169134 /nfs/dbraw/zinc/16/91/34/288169134.db2.gz LBOGPWWLBPYYCQ-FRFSOERESA-N 1 3 276.424 3.063 20 0 CGADHO CC[C@H](c1ccccc1OC)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508392 288169136 /nfs/dbraw/zinc/16/91/36/288169136.db2.gz LBOGPWWLBPYYCQ-FRFSOERESA-N 1 3 276.424 3.063 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423333444 279953794 /nfs/dbraw/zinc/95/37/94/279953794.db2.gz PUMHCVZTDRDIKF-HRCADAONSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCNCC1)CC3 ZINC000335253646 281035550 /nfs/dbraw/zinc/03/55/50/281035550.db2.gz ZZLJCEFHJYDTHF-HUUCEWRRSA-N 1 3 297.446 3.065 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423030287 281122025 /nfs/dbraw/zinc/12/20/25/281122025.db2.gz VZWZIYLICPDOGM-QILLFSRXSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)CCC2 ZINC000423030287 281122026 /nfs/dbraw/zinc/12/20/26/281122026.db2.gz VZWZIYLICPDOGM-QILLFSRXSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc2nccc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000302225524 281170756 /nfs/dbraw/zinc/17/07/56/281170756.db2.gz OUFMOEMHHFWJRL-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225524 281170758 /nfs/dbraw/zinc/17/07/58/281170758.db2.gz OUFMOEMHHFWJRL-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC1 ZINC000532442754 288361159 /nfs/dbraw/zinc/36/11/59/288361159.db2.gz KKFYOSUFPITAEH-GOEBONIOSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](Cc1ccsc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000542131218 288734806 /nfs/dbraw/zinc/73/48/06/288734806.db2.gz SQFLXOSXOSQWKM-HNNXBMFYSA-N 1 3 292.492 3.487 20 0 CGADHO CCC[N@H+](CCCN(CC)CC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000548918426 289029111 /nfs/dbraw/zinc/02/91/11/289029111.db2.gz RIKVWKZCRWOAOI-GVDBMIGSSA-N 1 3 296.499 3.244 20 0 CGADHO CCC[N@@H+](CCCN(CC)CC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000548918426 289029112 /nfs/dbraw/zinc/02/91/12/289029112.db2.gz RIKVWKZCRWOAOI-GVDBMIGSSA-N 1 3 296.499 3.244 20 0 CGADHO CCC1CC([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000556585729 289399330 /nfs/dbraw/zinc/39/93/30/289399330.db2.gz IONYAKALPLWAAW-WXLSXGNJSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000422923855 293261651 /nfs/dbraw/zinc/26/16/51/293261651.db2.gz STTNMITXTBBIHH-KKXDTOCCSA-N 1 3 287.451 3.468 20 0 CGADHO COc1ccc([C@H]2CCCC[C@@H]2NCC(C)(C)[NH3+])cc1F ZINC000423286891 295247746 /nfs/dbraw/zinc/24/77/46/295247746.db2.gz JHXDKJYPWJLYFV-HIFRSBDPSA-N 1 3 294.414 3.187 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950900 295255969 /nfs/dbraw/zinc/25/59/69/295255969.db2.gz WZWQIEXWMFQFPS-AAEUAGOBSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1cccc(Cl)c1Cl ZINC000422950900 295255970 /nfs/dbraw/zinc/25/59/70/295255970.db2.gz WZWQIEXWMFQFPS-AAEUAGOBSA-N 1 3 287.234 3.253 20 0 CGADHO Cc1cc2c(cc1C)[C@H](NC[C@H](C)C[NH3+])CCS2 ZINC000423310549 301448267 /nfs/dbraw/zinc/44/82/67/301448267.db2.gz RZSZPXBHMNRCEW-QMTHXVAHSA-N 1 3 264.438 3.025 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423263570 302056179 /nfs/dbraw/zinc/05/61/79/302056179.db2.gz BBWZKFOAZKZHIS-JQFCIGGWSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1CN ZINC000423263570 302056182 /nfs/dbraw/zinc/05/61/82/302056182.db2.gz BBWZKFOAZKZHIS-JQFCIGGWSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 ZINC000423359222 302102705 /nfs/dbraw/zinc/10/27/05/302102705.db2.gz CYLKXHACBWLJQZ-SQNIBIBYSA-N 1 3 272.436 3.176 20 0 CGADHO Fc1ccc([C@@H]2CCCCN2CC2CC[NH2+]CC2)c(F)c1 ZINC000261638460 303130798 /nfs/dbraw/zinc/13/07/98/303130798.db2.gz AAVTWRNXBWXKNH-KRWDZBQOSA-N 1 3 294.389 3.491 20 0 CGADHO NC1(C[NH2+][C@H]2CCC23CCCC3)C2CC3CC(C2)CC1C3 ZINC000423530331 303359874 /nfs/dbraw/zinc/35/98/74/303359874.db2.gz RBMSPCSNWUDVCX-MGMWPHTOSA-N 1 3 288.479 3.452 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2ccc(Cl)cc21 ZINC000423282114 303400767 /nfs/dbraw/zinc/40/07/67/303400767.db2.gz UXEXJIUAOSFXER-VBNZEHGJSA-N 1 3 278.827 3.434 20 0 CGADHO CCC[C@H](NCCC1CC[NH+](C)CC1)c1ccccn1 ZINC000159013562 321827451 /nfs/dbraw/zinc/82/74/51/321827451.db2.gz OTNIIYIRRZDKAB-INIZCTEOSA-N 1 3 275.440 3.244 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563135161 321979350 /nfs/dbraw/zinc/97/93/50/321979350.db2.gz ISUPNTDYZLMZCE-HNNXBMFYSA-N 1 3 292.854 3.470 20 0 CGADHO CCCCOc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000563716201 322007642 /nfs/dbraw/zinc/00/76/42/322007642.db2.gz PVIAPKVCNMNXBS-UONOGXRCSA-N 1 3 294.439 3.090 20 0 CGADHO C[C@@H](CC[NH2+]CC1Cc2ccccc2C1)N1CCCCC1 ZINC000564536276 322033713 /nfs/dbraw/zinc/03/37/13/322033713.db2.gz DNWYTBXMBIAXLT-INIZCTEOSA-N 1 3 286.463 3.256 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](N)C2)c1 ZINC000565225781 322067866 /nfs/dbraw/zinc/06/78/66/322067866.db2.gz GXFOALBYMJSQAK-HZPDHXFCSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000565225781 322067869 /nfs/dbraw/zinc/06/78/69/322067869.db2.gz GXFOALBYMJSQAK-HZPDHXFCSA-N 1 3 260.425 3.132 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000565710330 322087626 /nfs/dbraw/zinc/08/76/26/322087626.db2.gz FOGDIVAFSYXDDI-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000565710330 322087627 /nfs/dbraw/zinc/08/76/27/322087627.db2.gz FOGDIVAFSYXDDI-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccoc1 ZINC000566092553 322103941 /nfs/dbraw/zinc/10/39/41/322103941.db2.gz SQUNITQZKIZRLQ-BBRMVZONSA-N 1 3 258.365 3.410 20 0 CGADHO COc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000566244840 322111174 /nfs/dbraw/zinc/11/11/74/322111174.db2.gz AQJHNGPKWXBHDF-CYBMUJFWSA-N 1 3 270.376 3.005 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2ccc(-c3ccncc3)cc2F)C1 ZINC000566666303 322133716 /nfs/dbraw/zinc/13/37/16/322133716.db2.gz FROGBIOYOOMFCB-GUYCJALGSA-N 1 3 299.393 3.105 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)C1 ZINC000567429733 322162776 /nfs/dbraw/zinc/16/27/76/322162776.db2.gz ZTNCJDWPIZPTRQ-RYUDHWBXSA-N 1 3 266.351 3.037 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000567642342 322171522 /nfs/dbraw/zinc/17/15/22/322171522.db2.gz JQVZJMASUCEBDK-HKUYNNGSSA-N 1 3 295.430 3.356 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(F)c1 ZINC000567894753 322182139 /nfs/dbraw/zinc/18/21/39/322182139.db2.gz RZQXUIJAYOHTAK-LBPRGKRZSA-N 1 3 258.340 3.135 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)c1 ZINC000568248537 322200680 /nfs/dbraw/zinc/20/06/80/322200680.db2.gz UFTSHRLFTWFPIZ-USXIJHARSA-N 1 3 260.425 3.094 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000568248568 322200745 /nfs/dbraw/zinc/20/07/45/322200745.db2.gz VAZPZBYBFIFFST-AEGPPILISA-N 1 3 292.423 3.014 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000568483374 322211038 /nfs/dbraw/zinc/21/10/38/322211038.db2.gz DIRYVBXBOROAMF-IVMQYODDSA-N 1 3 286.463 3.427 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000568483374 322211039 /nfs/dbraw/zinc/21/10/39/322211039.db2.gz DIRYVBXBOROAMF-IVMQYODDSA-N 1 3 286.463 3.427 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000568483374 322211040 /nfs/dbraw/zinc/21/10/40/322211040.db2.gz DIRYVBXBOROAMF-IVMQYODDSA-N 1 3 286.463 3.427 20 0 CGADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566986 322213935 /nfs/dbraw/zinc/21/39/35/322213935.db2.gz ZLIZCIMTMLXLSG-XJKSGUPXSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566986 322213938 /nfs/dbraw/zinc/21/39/38/322213938.db2.gz ZLIZCIMTMLXLSG-XJKSGUPXSA-N 1 3 280.843 3.420 20 0 CGADHO CCSCC[C@H](C)[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000571335709 322296194 /nfs/dbraw/zinc/29/61/94/322296194.db2.gz COARJPSGVWHBPS-AWEZNQCLSA-N 1 3 292.492 3.296 20 0 CGADHO CCSCC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000571335709 322296195 /nfs/dbraw/zinc/29/61/95/322296195.db2.gz COARJPSGVWHBPS-AWEZNQCLSA-N 1 3 292.492 3.296 20 0 CGADHO CCN(Cc1cncc(C[N@H+](CC)C2CC2)c1)C1CC1 ZINC000572828796 322356907 /nfs/dbraw/zinc/35/69/07/322356907.db2.gz LZZBFGVBZGYRNI-UHFFFAOYSA-N 1 3 273.424 3.050 20 0 CGADHO CCN(Cc1cncc(C[N@@H+](CC)C2CC2)c1)C1CC1 ZINC000572828796 322356909 /nfs/dbraw/zinc/35/69/09/322356909.db2.gz LZZBFGVBZGYRNI-UHFFFAOYSA-N 1 3 273.424 3.050 20 0 CGADHO C[C@H]1C[C@H]([NH3+])CCN1CCCOc1cccc2ccccc21 ZINC000573621574 322397590 /nfs/dbraw/zinc/39/75/90/322397590.db2.gz DXFBZQTYADEKRA-DOTOQJQBSA-N 1 3 298.430 3.420 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2ccccc2)C2CCC2)C1 ZINC000575072302 322472156 /nfs/dbraw/zinc/47/21/56/322472156.db2.gz XIPZYBVKFJBDHU-IXDOHACOSA-N 1 3 258.409 3.387 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](C)c1sccc1Br ZINC000583375715 327332291 /nfs/dbraw/zinc/33/22/91/327332291.db2.gz SGKQWXFALGXXHR-RKDXNWHRSA-N 1 3 291.258 3.289 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)Cc1ccccc1 ZINC000582736445 329133950 /nfs/dbraw/zinc/13/39/50/329133950.db2.gz YZCWGEFUSVANLY-OKZBNKHCSA-N 1 3 274.452 3.361 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000397265990 329346705 /nfs/dbraw/zinc/34/67/05/329346705.db2.gz KIRFOHKGXBLEBP-YCPHGPKFSA-N 1 3 283.419 3.040 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000191518732 330144641 /nfs/dbraw/zinc/14/46/41/330144641.db2.gz UNECMEKKFABVCH-UHFFFAOYSA-N 1 3 296.405 3.360 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCc2ccc(F)c(F)c2)CC1 ZINC000191518732 330144642 /nfs/dbraw/zinc/14/46/42/330144642.db2.gz UNECMEKKFABVCH-UHFFFAOYSA-N 1 3 296.405 3.360 20 0 CGADHO CCN(CCC[NH+](C)C)C[C@@H](C)c1ccc(F)cc1 ZINC000576148491 335160820 /nfs/dbraw/zinc/16/08/20/335160820.db2.gz IVXNMFKHFKDSFT-CQSZACIVSA-N 1 3 266.404 3.203 20 0 CGADHO CCC[C@H](C)[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000576470819 335208560 /nfs/dbraw/zinc/20/85/60/335208560.db2.gz RZICOVXAQRVFEW-MAUKXSAKSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](C)[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000576470819 335208561 /nfs/dbraw/zinc/20/85/61/335208561.db2.gz RZICOVXAQRVFEW-MAUKXSAKSA-N 1 3 296.499 3.170 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000580581912 335290720 /nfs/dbraw/zinc/29/07/20/335290720.db2.gz NNIWLSIDMWHTOH-FBKDDSFISA-N 1 3 282.790 3.195 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)C1=CCCCC1 ZINC000577626558 335381777 /nfs/dbraw/zinc/38/17/77/335381777.db2.gz JTBCROBWHQDFAC-HUUCEWRRSA-N 1 3 250.430 3.373 20 0 CGADHO C[C@H](C[N@H+](C)C[C@H]1CCCNC1)C1CCCCC1 ZINC000386184562 336167677 /nfs/dbraw/zinc/16/76/77/336167677.db2.gz JEOKJQXETDPOPG-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](C[N@@H+](C)C[C@H]1CCCNC1)C1CCCCC1 ZINC000386184562 336167678 /nfs/dbraw/zinc/16/76/78/336167678.db2.gz JEOKJQXETDPOPG-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423300637 533771959 /nfs/dbraw/zinc/77/19/59/533771959.db2.gz DPXALIHBAKWGRE-RYUDHWBXSA-N 1 3 288.357 3.211 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000148048897 534002795 /nfs/dbraw/zinc/00/27/95/534002795.db2.gz VWWOSHMUZRDNEB-JKOKRWQUSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000422830336 534177504 /nfs/dbraw/zinc/17/75/04/534177504.db2.gz CSFWJTNLIHUABX-YWDSYVAPSA-N 1 3 264.388 3.165 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000449251512 534258646 /nfs/dbraw/zinc/25/86/46/534258646.db2.gz OSCOKZKMGBIRMQ-HNNXBMFYSA-N 1 3 299.418 3.112 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000422964837 534350946 /nfs/dbraw/zinc/35/09/46/534350946.db2.gz JWMRLZDGTIIFAZ-MXWWQKGMSA-N 1 3 295.430 3.446 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CNCc2cc[nH]c2)c1 ZINC000086251998 519629257 /nfs/dbraw/zinc/62/92/57/519629257.db2.gz WDKIFUWVTHZCBV-UHFFFAOYSA-N 1 3 271.408 3.145 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc[nH]c2)c1 ZINC000086251998 519629261 /nfs/dbraw/zinc/62/92/61/519629261.db2.gz WDKIFUWVTHZCBV-UHFFFAOYSA-N 1 3 271.408 3.145 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H](C[NH3+])C1CCCC1)CC2 ZINC000423500104 534439200 /nfs/dbraw/zinc/43/92/00/534439200.db2.gz CTCFFJWYJSOSMB-IRXDYDNUSA-N 1 3 258.409 3.089 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000037643760 521710562 /nfs/dbraw/zinc/71/05/62/521710562.db2.gz VNMUJCVNCNYMGA-ZDUSSCGKSA-N 1 3 286.341 3.137 20 0 CGADHO Clc1ccccc1C[C@@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423359036 534652109 /nfs/dbraw/zinc/65/21/09/534652109.db2.gz ORUVCSDCBAAWMU-NVXWUHKLSA-N 1 3 292.854 3.393 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C2CC2)c1 ZINC000423390479 534727252 /nfs/dbraw/zinc/72/72/52/534727252.db2.gz OUROXZQNJUYYDB-KURKYZTESA-N 1 3 272.436 3.176 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000049553463 524477011 /nfs/dbraw/zinc/47/70/11/524477011.db2.gz LORALXNFWPYGIS-STQMWFEESA-N 1 3 260.381 3.424 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000150292677 525012743 /nfs/dbraw/zinc/01/27/43/525012743.db2.gz WJOSPBGXJTWXPN-BXUZGUMPSA-N 1 3 268.351 3.183 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]C[C@@H]1CCCOC1 ZINC000359138140 527031687 /nfs/dbraw/zinc/03/16/87/527031687.db2.gz IGQXLRHNSUIOAO-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO CC1(C)[C@@H](NCC2([NH3+])CCC2)C[C@H]1c1ccccc1 ZINC000423335734 527827200 /nfs/dbraw/zinc/82/72/00/527827200.db2.gz UEEPGGCOXGYMNK-GJZGRUSLSA-N 1 3 258.409 3.040 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000423378948 527831645 /nfs/dbraw/zinc/83/16/45/527831645.db2.gz XAQDWDDUPVORQJ-UGUYLWEFSA-N 1 3 252.446 3.451 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC000176280600 527836923 /nfs/dbraw/zinc/83/69/23/527836923.db2.gz QFXWDYAHMNKCPX-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000176280600 527836930 /nfs/dbraw/zinc/83/69/30/527836930.db2.gz QFXWDYAHMNKCPX-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CC(C)O[C@H](C[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000428253462 528076028 /nfs/dbraw/zinc/07/60/28/528076028.db2.gz QSCSJORBQUAIAQ-FUHWJXTLSA-N 1 3 290.451 3.036 20 0 CGADHO CC(C)O[C@H](C[N@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000428253462 528076032 /nfs/dbraw/zinc/07/60/32/528076032.db2.gz QSCSJORBQUAIAQ-FUHWJXTLSA-N 1 3 290.451 3.036 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1ccccn1 ZINC000411556164 528182322 /nfs/dbraw/zinc/18/23/22/528182322.db2.gz XNJOLMBDFQRNKF-SJLPKXTDSA-N 1 3 289.467 3.114 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000411556164 528182328 /nfs/dbraw/zinc/18/23/28/528182328.db2.gz XNJOLMBDFQRNKF-SJLPKXTDSA-N 1 3 289.467 3.114 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422891826 528205011 /nfs/dbraw/zinc/20/50/11/528205011.db2.gz LOUYSKHMEHQOHQ-MELADBBJSA-N 1 3 264.413 3.250 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000177243979 528260957 /nfs/dbraw/zinc/26/09/57/528260957.db2.gz VMRNZBBFLAHEST-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423259685 528531419 /nfs/dbraw/zinc/53/14/19/528531419.db2.gz FNTXMTVTFPIGTQ-GWCFXTLKSA-N 1 3 285.229 3.083 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391100 528682588 /nfs/dbraw/zinc/68/25/88/528682588.db2.gz PGZFZJDXPWPLHY-IRXDYDNUSA-N 1 3 258.409 3.204 20 0 CGADHO CCCOc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC000423067507 528690584 /nfs/dbraw/zinc/69/05/84/528690584.db2.gz HJJFDVQGLCWBFD-KDOFPFPSSA-N 1 3 290.451 3.262 20 0 CGADHO CCCC[C@@H](CN)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423297171 528822099 /nfs/dbraw/zinc/82/20/99/528822099.db2.gz JASDXEAQBIGILX-SMDDNHRTSA-N 1 3 282.428 3.470 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423286390 528954798 /nfs/dbraw/zinc/95/47/98/528954798.db2.gz GYLISHKFLXWDFA-HNNXBMFYSA-N 1 3 261.413 3.041 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423283278 528955049 /nfs/dbraw/zinc/95/50/49/528955049.db2.gz FDVKQVOVMSWUDM-CVEARBPZSA-N 1 3 260.425 3.430 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423264325 529071893 /nfs/dbraw/zinc/07/18/93/529071893.db2.gz PXMVGEYCYRAHLS-CXAGYDPISA-N 1 3 256.393 3.474 20 0 CGADHO CC(C)[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414170672 529121213 /nfs/dbraw/zinc/12/12/13/529121213.db2.gz CCGDHDYOPQBROE-PBHICJAKSA-N 1 3 293.430 3.239 20 0 CGADHO CC(C)[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170672 529121216 /nfs/dbraw/zinc/12/12/16/529121216.db2.gz CCGDHDYOPQBROE-PBHICJAKSA-N 1 3 293.430 3.239 20 0 CGADHO CC(C)[C@H](NC[C@@H](C)C[NH3+])c1cc2ccccc2o1 ZINC000423301351 529121507 /nfs/dbraw/zinc/12/15/07/529121507.db2.gz FSOSOFYPUGIICR-LRDDRELGSA-N 1 3 260.381 3.314 20 0 CGADHO CC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc(C)c1 ZINC000423346973 529177312 /nfs/dbraw/zinc/17/73/12/529177312.db2.gz QKXTUMIJPGXSLD-SJORKVTESA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1cccc(C)c1 ZINC000423346973 529177316 /nfs/dbraw/zinc/17/73/16/529177316.db2.gz QKXTUMIJPGXSLD-SJORKVTESA-N 1 3 260.425 3.425 20 0 CGADHO CCSCCNC1CC[NH+](CC2CCCCC2)CC1 ZINC000363942012 529180252 /nfs/dbraw/zinc/18/02/52/529180252.db2.gz ZKAIUIBPPWUFQB-UHFFFAOYSA-N 1 3 284.513 3.374 20 0 CGADHO CCSCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000363942012 529180253 /nfs/dbraw/zinc/18/02/53/529180253.db2.gz ZKAIUIBPPWUFQB-UHFFFAOYSA-N 1 3 284.513 3.374 20 0 CGADHO CC[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(C)cc1 ZINC000423325214 529180517 /nfs/dbraw/zinc/18/05/17/529180517.db2.gz JFDBMNQJMVOURK-IAGOWNOFSA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1ccc(C)cc1 ZINC000423325214 529180518 /nfs/dbraw/zinc/18/05/18/529180518.db2.gz JFDBMNQJMVOURK-IAGOWNOFSA-N 1 3 260.425 3.425 20 0 CGADHO CCS[C@@H]1CCC[C@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000422818376 529216675 /nfs/dbraw/zinc/21/66/75/529216675.db2.gz KDEWOAKRWGJCSE-XGUBFFRZSA-N 1 3 270.486 3.171 20 0 CGADHO CC[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423462688 529249307 /nfs/dbraw/zinc/24/93/07/529249307.db2.gz DTCRXEGRYFZDBD-PLYYQAHHSA-N 1 3 290.426 3.297 20 0 CGADHO CCSc1ccccc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423347581 529257229 /nfs/dbraw/zinc/25/72/29/529257229.db2.gz QQISRMFJXWJSGT-CYBMUJFWSA-N 1 3 276.449 3.369 20 0 CGADHO CC(C)[C@H](CN[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000414949675 535020592 /nfs/dbraw/zinc/02/05/92/535020592.db2.gz GJJLTIYSOVHWRH-XIRDDKMYSA-N 1 3 260.425 3.156 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000479566441 535241874 /nfs/dbraw/zinc/24/18/74/535241874.db2.gz CJEMQUNJRXHDTD-PVAVHDDUSA-N 1 3 264.457 3.300 20 0 CGADHO CC[NH+](CC)CC1CCN(C/C=C/c2ccncc2)CC1 ZINC000495079004 535497013 /nfs/dbraw/zinc/49/70/13/535497013.db2.gz MBIYPIQOZUKECB-AATRIKPKSA-N 1 3 287.451 3.149 20 0 CGADHO CC[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470002415 536099160 /nfs/dbraw/zinc/09/91/60/536099160.db2.gz JEDSURLAQNCPKH-NAZJXLNTSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccoc2)C1 ZINC000727467340 571747539 /nfs/dbraw/zinc/74/75/39/571747539.db2.gz SQHSVULFQFQLND-GASCZTMLSA-N 1 3 264.413 3.127 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccoc2)C1 ZINC000727467340 571747541 /nfs/dbraw/zinc/74/75/41/571747541.db2.gz SQHSVULFQFQLND-GASCZTMLSA-N 1 3 264.413 3.127 20 0 CGADHO [NH3+]C1CCC(NCc2c(Cl)cccc2Cl)CC1 ZINC000051692998 618628981 /nfs/dbraw/zinc/62/89/81/618628981.db2.gz WSCVRZLMJQZBNS-UHFFFAOYSA-N 1 3 273.207 3.353 20 0 CGADHO Cc1nc(CNCCCC[N@H+]2CCC[C@@H](C)C2)sc1C ZINC000892584335 618867774 /nfs/dbraw/zinc/86/77/74/618867774.db2.gz JEOVGXFMWUZQSC-CYBMUJFWSA-N 1 3 295.496 3.362 20 0 CGADHO Cc1nc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)sc1C ZINC000892584335 618867776 /nfs/dbraw/zinc/86/77/76/618867776.db2.gz JEOVGXFMWUZQSC-CYBMUJFWSA-N 1 3 295.496 3.362 20 0 CGADHO Nc1cc(NC2CC[NH+](C3CCCC3)CC2)c(Cl)cn1 ZINC000892819863 618940051 /nfs/dbraw/zinc/94/00/51/618940051.db2.gz SYEJJHBYQNXEGS-UHFFFAOYSA-N 1 3 294.830 3.136 20 0 CGADHO Fc1ccccc1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925508904 619002946 /nfs/dbraw/zinc/00/29/46/619002946.db2.gz JVBHSQPRYSKNJJ-FUHWJXTLSA-N 1 3 290.426 3.126 20 0 CGADHO Fc1ccccc1CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925508904 619002947 /nfs/dbraw/zinc/00/29/47/619002947.db2.gz JVBHSQPRYSKNJJ-FUHWJXTLSA-N 1 3 290.426 3.126 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000925509630 619004426 /nfs/dbraw/zinc/00/44/26/619004426.db2.gz NHOCYHCODSMRGH-UONOGXRCSA-N 1 3 298.352 3.107 20 0 CGADHO CCOCc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925538644 619036589 /nfs/dbraw/zinc/03/65/89/619036589.db2.gz VRUDMINKHSCQJG-IAGOWNOFSA-N 1 3 290.451 3.219 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925639083 619100583 /nfs/dbraw/zinc/10/05/83/619100583.db2.gz JSLLIMOLYKYXFB-DLBZAZTESA-N 1 3 284.403 3.143 20 0 CGADHO C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C[C@H]1CCCCO1 ZINC000925640173 619101369 /nfs/dbraw/zinc/10/13/69/619101369.db2.gz QSAFSOFGFIEIPT-KZNAEPCWSA-N 1 3 294.483 3.094 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc3ncccc3c2)C1 ZINC000925664263 619118390 /nfs/dbraw/zinc/11/83/90/619118390.db2.gz XLBIDFHFXHRNAQ-HOTGVXAUSA-N 1 3 283.419 3.230 20 0 CGADHO CSCC1(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925707074 619155594 /nfs/dbraw/zinc/15/55/94/619155594.db2.gz OLVRAJGMLLAHJB-HOTGVXAUSA-N 1 3 296.524 3.278 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1NCCc1c[nH]c2c1cccc2Cl ZINC000925724908 619181484 /nfs/dbraw/zinc/18/14/84/619181484.db2.gz NXCAYIJPAXFDKJ-IAQYHMDHSA-N 1 3 291.826 3.094 20 0 CGADHO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000317184666 619244916 /nfs/dbraw/zinc/24/49/16/619244916.db2.gz WHDUOVUIZRCMKA-GDIGMMSISA-N 1 3 296.414 3.497 20 0 CGADHO CC[N@H+](CCCNC1CCC(C)(O)CC1)C1CCCCC1 ZINC000895144438 619752829 /nfs/dbraw/zinc/75/28/29/619752829.db2.gz HNHPGZWPDQBXBH-UHFFFAOYSA-N 1 3 296.499 3.314 20 0 CGADHO CC[N@@H+](CCCNC1CCC(C)(O)CC1)C1CCCCC1 ZINC000895144438 619752832 /nfs/dbraw/zinc/75/28/32/619752832.db2.gz HNHPGZWPDQBXBH-UHFFFAOYSA-N 1 3 296.499 3.314 20 0 CGADHO C[C@@H](CC[NH2+]Cc1cc2ccnc(Cl)c2s1)N(C)C ZINC000895290234 619796965 /nfs/dbraw/zinc/79/69/65/619796965.db2.gz DIBRMERKTIEIRL-JTQLQIEISA-N 1 3 297.855 3.380 20 0 CGADHO Cc1cc(F)ncc1CN(C)CCCC[NH+]1CCCCC1 ZINC000896027226 619934260 /nfs/dbraw/zinc/93/42/60/619934260.db2.gz IDXNAUXTCYJQLU-UHFFFAOYSA-N 1 3 293.430 3.227 20 0 CGADHO COc1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000896387673 620000581 /nfs/dbraw/zinc/00/05/81/620000581.db2.gz GMNQEQHMRURKON-UHFFFAOYSA-N 1 3 292.423 3.175 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H](CCO)CC(C)C)CC1 ZINC000925192663 620224803 /nfs/dbraw/zinc/22/48/03/620224803.db2.gz RXMRYLZJUPLLSW-QGZVFWFLSA-N 1 3 298.515 3.131 20 0 CGADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219034 620234988 /nfs/dbraw/zinc/23/49/88/620234988.db2.gz AYWQMDXZQNWVDA-QAPCUYQASA-N 1 3 296.499 3.313 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)C2CC2)CC1 ZINC000897439098 620335274 /nfs/dbraw/zinc/33/52/74/620335274.db2.gz OXAYUOBUGRNCFS-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]1C[C@@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000926972923 620557623 /nfs/dbraw/zinc/55/76/23/620557623.db2.gz IVXOJHQIABSODT-ARLBYUKCSA-N 1 3 294.389 3.108 20 0 CGADHO C[C@H]1C[C@@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000926972923 620557627 /nfs/dbraw/zinc/55/76/27/620557627.db2.gz IVXOJHQIABSODT-ARLBYUKCSA-N 1 3 294.389 3.108 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902452200 621330873 /nfs/dbraw/zinc/33/08/73/621330873.db2.gz KHQRKHFGRMGZIR-CRWXNKLISA-N 1 3 282.497 3.027 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466819 621338714 /nfs/dbraw/zinc/33/87/14/621338714.db2.gz NGABANCBSPAUCR-NNCYVUHOSA-N 1 3 290.838 3.459 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CCCC2(CC2)C1)c1cccnc1 ZINC000903379564 621722654 /nfs/dbraw/zinc/72/26/54/621722654.db2.gz YFGCTZLRPRIBDB-SJORKVTESA-N 1 3 287.451 3.387 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CCCC1(C)C)c1cccnc1 ZINC000903382736 621724065 /nfs/dbraw/zinc/72/40/65/621724065.db2.gz HLORUCKSDNRDGC-JKSUJKDBSA-N 1 3 275.440 3.243 20 0 CGADHO CCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1ccc(F)cc1 ZINC000903430768 621744614 /nfs/dbraw/zinc/74/46/14/621744614.db2.gz ALBGTFMAUZHXBX-NFAWXSAZSA-N 1 3 264.388 3.064 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000903474727 621763658 /nfs/dbraw/zinc/76/36/58/621763658.db2.gz RPDNKPHHFIBDRQ-WCQYABFASA-N 1 3 298.352 3.191 20 0 CGADHO FC(F)(F)[C@]12CCC[C@H]1CN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903785237 621808556 /nfs/dbraw/zinc/80/85/56/621808556.db2.gz WWJXAKHPDOZIBF-IHRRRGAJSA-N 1 3 290.373 3.041 20 0 CGADHO COc1ccc(CN2CCC(C(C)(C)C[NH3+])CC2)cc1F ZINC000903788725 621809227 /nfs/dbraw/zinc/80/92/27/621809227.db2.gz GCVZCYBFTJTPFJ-UHFFFAOYSA-N 1 3 294.414 3.031 20 0 CGADHO CC[N@H+](C[C@H](N)CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887299 621822007 /nfs/dbraw/zinc/82/20/07/621822007.db2.gz YKNJARRTHBOECZ-ZWNOBZJWSA-N 1 3 274.330 3.191 20 0 CGADHO CC[N@@H+](C[C@H](N)CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887299 621822009 /nfs/dbraw/zinc/82/20/09/621822009.db2.gz YKNJARRTHBOECZ-ZWNOBZJWSA-N 1 3 274.330 3.191 20 0 CGADHO N[C@@H](CC(F)F)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929399 621833960 /nfs/dbraw/zinc/83/39/60/621833960.db2.gz DKNIJWUHVPKCFH-LSDHHAIUSA-N 1 3 294.389 3.239 20 0 CGADHO N[C@@H](CC(F)F)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929399 621833961 /nfs/dbraw/zinc/83/39/61/621833961.db2.gz DKNIJWUHVPKCFH-LSDHHAIUSA-N 1 3 294.389 3.239 20 0 CGADHO CN(Cc1cccc(Cl)c1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304222 621902225 /nfs/dbraw/zinc/90/22/25/621902225.db2.gz VVZPGHGDUPRWMY-JGZJWPJOSA-N 1 3 273.207 3.163 20 0 CGADHO [NH3+]CC1CC(N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000904363721 621915294 /nfs/dbraw/zinc/91/52/94/621915294.db2.gz MLTYJWYCXONKFZ-UTVJUBTNSA-N 1 3 290.304 3.146 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420141 621921643 /nfs/dbraw/zinc/92/16/43/621921643.db2.gz CZOMKVATYLVKSJ-QFHJOOASSA-N 1 3 284.447 3.038 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420141 621921645 /nfs/dbraw/zinc/92/16/45/621921645.db2.gz CZOMKVATYLVKSJ-QFHJOOASSA-N 1 3 284.447 3.038 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@]1(C)CC1(Cl)Cl ZINC000817935706 625619841 /nfs/dbraw/zinc/61/98/41/625619841.db2.gz DCONMWPAVOFQIU-JHJVBQTASA-N 1 3 293.282 3.471 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252171004 624878440 /nfs/dbraw/zinc/87/84/40/624878440.db2.gz NYDAPEKHKVSDKX-IRXDYDNUSA-N 1 3 294.483 3.332 20 0 CGADHO Cc1cc([C@H]2CCCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923306854 626143918 /nfs/dbraw/zinc/14/39/18/626143918.db2.gz NPVSWEAGVLCQPS-UCMJJCQDSA-N 1 3 289.423 3.041 20 0 CGADHO C(C1CCC2(CC2)CC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000923355558 626148822 /nfs/dbraw/zinc/14/88/22/626148822.db2.gz NSPLJAMXFFAGFP-KRWDZBQOSA-N 1 3 262.441 3.032 20 0 CGADHO C(C1CCC2(CC2)CC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000923355558 626148826 /nfs/dbraw/zinc/14/88/26/626148826.db2.gz NSPLJAMXFFAGFP-KRWDZBQOSA-N 1 3 262.441 3.032 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCc3ccccc32)CC1 ZINC000759967427 626933522 /nfs/dbraw/zinc/93/35/22/626933522.db2.gz PMWNATNUXLMCEI-IAGOWNOFSA-N 1 3 272.436 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)CC1 ZINC000759967427 626933524 /nfs/dbraw/zinc/93/35/24/626933524.db2.gz PMWNATNUXLMCEI-IAGOWNOFSA-N 1 3 272.436 3.133 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000765467188 627251358 /nfs/dbraw/zinc/25/13/58/627251358.db2.gz DDIZOVQEGGLZAI-UONOGXRCSA-N 1 3 297.402 3.282 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000765467188 627251362 /nfs/dbraw/zinc/25/13/62/627251362.db2.gz DDIZOVQEGGLZAI-UONOGXRCSA-N 1 3 297.402 3.282 20 0 CGADHO C[C@@H](NCCCCCCC[NH+]1CCCC1)c1ncc[nH]1 ZINC000796748648 629825559 /nfs/dbraw/zinc/82/55/59/629825559.db2.gz WTWPKKBUMLMPTE-OAHLLOKOSA-N 1 3 278.444 3.107 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@H](C)[NH3+])cc(C)c1OC(F)F ZINC000843127629 630564930 /nfs/dbraw/zinc/56/49/30/630564930.db2.gz FHHPYSPHGASOQH-NWDGAFQWSA-N 1 3 286.366 3.120 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000809735680 630791260 /nfs/dbraw/zinc/79/12/60/630791260.db2.gz OPSZIDXIJUIFFP-UONOGXRCSA-N 1 3 272.502 3.227 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c(C)o1 ZINC000842766892 635465491 /nfs/dbraw/zinc/46/54/91/635465491.db2.gz WDIXWUAKQHESKC-MOPGFXCFSA-N 1 3 298.430 3.331 20 0 CGADHO CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817892036 632230852 /nfs/dbraw/zinc/23/08/52/632230852.db2.gz JBOAUNRDQPAHIO-STQMWFEESA-N 1 3 263.429 3.468 20 0 CGADHO C[C@H](NCC[C@]1(C)CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000817936147 632238231 /nfs/dbraw/zinc/23/82/31/632238231.db2.gz HATZIIHJIKYNIW-QJPTWQEYSA-N 1 3 279.255 3.081 20 0 CGADHO CCOc1cccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)c1 ZINC000817947318 632243777 /nfs/dbraw/zinc/24/37/77/632243777.db2.gz BZIZNOGFYNBGSA-OAHLLOKOSA-N 1 3 298.430 3.437 20 0 CGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc2c(c1)CCO2 ZINC000817959923 632256432 /nfs/dbraw/zinc/25/64/32/632256432.db2.gz HOFXEFGSHDYINP-OAHLLOKOSA-N 1 3 276.424 3.180 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817965538 632260446 /nfs/dbraw/zinc/26/04/46/632260446.db2.gz WUEGYUTZJAKXAW-QMMMGPOBSA-N 1 3 288.222 3.108 20 0 CGADHO Cc1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)nc1Cl ZINC000866667249 633229563 /nfs/dbraw/zinc/22/95/63/633229563.db2.gz GUALGPQHVPKZFG-CYBMUJFWSA-N 1 3 293.842 3.007 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000866707410 633235501 /nfs/dbraw/zinc/23/55/01/633235501.db2.gz OAHKMBSQCOHMNX-AAEUAGOBSA-N 1 3 293.282 3.267 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCOC2(CCCC2)C1)CN1CCCC1 ZINC000872067224 633989475 /nfs/dbraw/zinc/98/94/75/633989475.db2.gz VWWQPIQXUCCKTE-INIZCTEOSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)CN1CCCC1 ZINC000872066834 633989801 /nfs/dbraw/zinc/98/98/01/633989801.db2.gz RSKPQGYQTMEXHA-HZPDHXFCSA-N 1 3 296.499 3.292 20 0 CGADHO [NH3+][C@H](C[C@@H]1CCCN(C/C=C/Cl)C1)C1CCCC1 ZINC000872156453 634067739 /nfs/dbraw/zinc/06/77/39/634067739.db2.gz JXUKUDJOGHGFCF-LQTBYQGRSA-N 1 3 270.848 3.359 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2O1 ZINC000834876280 634262606 /nfs/dbraw/zinc/26/26/06/634262606.db2.gz DGYCXVOIHGJNQH-CRTWOITFSA-N 1 3 286.419 3.114 20 0 CGADHO COCCC1([NH2+]CCC2CCCCCC2)CCNCC1 ZINC000873224438 634290316 /nfs/dbraw/zinc/29/03/16/634290316.db2.gz BAZIBKZGEKIJIH-UHFFFAOYSA-N 1 3 282.472 3.095 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000876948031 634934830 /nfs/dbraw/zinc/93/48/30/634934830.db2.gz JDQDRIXXAXEXTM-JTQLQIEISA-N 1 3 279.255 3.033 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531751 635074981 /nfs/dbraw/zinc/07/49/81/635074981.db2.gz QYVLDYYFFRDFKR-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531751 635074986 /nfs/dbraw/zinc/07/49/86/635074986.db2.gz QYVLDYYFFRDFKR-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO c1c2ccccc2[nH]c1C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000843060400 635555273 /nfs/dbraw/zinc/55/52/73/635555273.db2.gz HLCYFSGIZRRKLX-OAHLLOKOSA-N 1 3 297.446 3.347 20 0 CGADHO CCCCCCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000849064461 636737414 /nfs/dbraw/zinc/73/74/14/636737414.db2.gz CEAOLTIYJXWILM-NVXWUHKLSA-N 1 3 296.503 3.191 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)c1 ZINC000132132978 636786679 /nfs/dbraw/zinc/78/66/79/636786679.db2.gz ZAUMMJPENACKOV-AWEZNQCLSA-N 1 3 278.440 3.324 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@H]3CC[C@H]3C3CC3)CC2)ccn1 ZINC000850514652 637099011 /nfs/dbraw/zinc/09/90/11/637099011.db2.gz OPBCENSTRHRAOG-OALUTQOASA-N 1 3 299.462 3.072 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCC2SCCS2)CC1 ZINC000850571029 637128917 /nfs/dbraw/zinc/12/89/17/637128917.db2.gz PMHYGRZONIFZLM-UHFFFAOYSA-N 1 3 288.526 3.035 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(Cl)cn1 ZINC000885923374 637313212 /nfs/dbraw/zinc/31/32/12/637313212.db2.gz YRNWFXKPTNXZRT-CQSZACIVSA-N 1 3 295.858 3.479 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(Cl)cn1 ZINC000885923374 637313214 /nfs/dbraw/zinc/31/32/14/637313214.db2.gz YRNWFXKPTNXZRT-CQSZACIVSA-N 1 3 295.858 3.479 20 0 CGADHO Cc1noc(C)c1CNC1CCC(C)([NH+]2CCCC2)CC1 ZINC000886512766 637546836 /nfs/dbraw/zinc/54/68/36/637546836.db2.gz MLJRJRAQXPOEBH-UHFFFAOYSA-N 1 3 291.439 3.178 20 0 CGADHO CN(C)Cc1cc(C[NH2+][C@H]2CCc3cccnc32)ccc1F ZINC000886529171 637555137 /nfs/dbraw/zinc/55/51/37/637555137.db2.gz XTDVHVGVCMYNKR-KRWDZBQOSA-N 1 3 299.393 3.059 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOC1CCCCCC1)C2 ZINC000852109166 637598826 /nfs/dbraw/zinc/59/88/26/637598826.db2.gz WYRCIPOCJKNXTM-GOSISDBHSA-N 1 3 294.483 3.144 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOC1CCCCCC1)C2 ZINC000852109166 637598839 /nfs/dbraw/zinc/59/88/39/637598839.db2.gz WYRCIPOCJKNXTM-GOSISDBHSA-N 1 3 294.483 3.144 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC000886720062 637673410 /nfs/dbraw/zinc/67/34/10/637673410.db2.gz RAYZSTYSJNDNIT-KRWDZBQOSA-N 1 3 294.483 3.142 20 0 CGADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000852744170 637702824 /nfs/dbraw/zinc/70/28/24/637702824.db2.gz UOKDTZUGVGSBCC-SOLBZPMBSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000852744170 637702827 /nfs/dbraw/zinc/70/28/27/637702827.db2.gz UOKDTZUGVGSBCC-SOLBZPMBSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)CN1CCCCC1 ZINC000222224005 637781784 /nfs/dbraw/zinc/78/17/84/637781784.db2.gz NVNJCZILMPECGO-CVEARBPZSA-N 1 3 292.442 3.468 20 0 CGADHO CS[C@@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000300663941 637849102 /nfs/dbraw/zinc/84/91/02/637849102.db2.gz LDKOFNQIWLTXDY-IDTSFGKNSA-N 1 3 262.422 3.005 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2c(F)cccc2F)C1 ZINC000925477623 638509091 /nfs/dbraw/zinc/50/90/91/638509091.db2.gz FNXYISFUYJJVIQ-VXGBXAGGSA-N 1 3 282.378 3.003 20 0 CGADHO CCO[C@H](CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C(C)C ZINC000925525143 638519125 /nfs/dbraw/zinc/51/91/25/638519125.db2.gz AIGDIXPZTKIPGE-FGTMMUONSA-N 1 3 296.499 3.196 20 0 CGADHO CC(C)(C)CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925586546 638537228 /nfs/dbraw/zinc/53/72/28/638537228.db2.gz ZNQZAJXNOSUAGP-CABCVRRESA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]([NH3+])[C@@H](NCC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659764 638561163 /nfs/dbraw/zinc/56/11/63/638561163.db2.gz GOOLOIUCNHLKFM-IUODEOHRSA-N 1 3 282.378 3.490 20 0 CGADHO CC1(C)[C@H]([NH2+]CCc2cccc3[nH]ccc32)[C@@H]2CCCN[C@@H]21 ZINC000925661436 638561316 /nfs/dbraw/zinc/56/13/16/638561316.db2.gz UGRAPBMUKKYYLV-BPQIPLTHSA-N 1 3 297.446 3.077 20 0 CGADHO CC1(C)[C@H](NCCc2cccc3[nH]ccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661436 638561320 /nfs/dbraw/zinc/56/13/20/638561320.db2.gz UGRAPBMUKKYYLV-BPQIPLTHSA-N 1 3 297.446 3.077 20 0 CGADHO c1ccc(C2CC(C[NH2+][C@H]3CCNC34CCC4)C2)cc1 ZINC000925667925 638563729 /nfs/dbraw/zinc/56/37/29/638563729.db2.gz WKRLDFHQXYTRLL-PREGVCBESA-N 1 3 270.420 3.054 20 0 CGADHO C1[C@@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000925765901 638602934 /nfs/dbraw/zinc/60/29/34/638602934.db2.gz PJHSDKRTGFITOQ-KFGODFMUSA-N 1 3 276.468 3.323 20 0 CGADHO Cc1ccc(OC[C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858115794 638635010 /nfs/dbraw/zinc/63/50/10/638635010.db2.gz LZHHQJAMAKRKHG-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(OC[C@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115794 638635018 /nfs/dbraw/zinc/63/50/18/638635018.db2.gz LZHHQJAMAKRKHG-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000858490757 638741056 /nfs/dbraw/zinc/74/10/56/638741056.db2.gz NLSKIMVMUYEXNG-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CCCO)CN1CCCC1 ZINC000926276589 638758030 /nfs/dbraw/zinc/75/80/30/638758030.db2.gz YJAMTOAOPAOGFP-IAGOWNOFSA-N 1 3 296.499 3.029 20 0 CGADHO Cc1ncccc1CN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926760742 638808089 /nfs/dbraw/zinc/80/80/89/638808089.db2.gz OMSHOMPSBIFYDM-AWEZNQCLSA-N 1 3 283.419 3.302 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000926778853 638810708 /nfs/dbraw/zinc/81/07/08/638810708.db2.gz OOCRIXADSQAIGE-OAHLLOKOSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926796908 638813185 /nfs/dbraw/zinc/81/31/85/638813185.db2.gz DHCIJUGDYBDJFE-ZLKJLUDKSA-N 1 3 286.341 3.350 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1C[C@H]2C=C[C@@H]1CC2)c1cccnc1 ZINC000926897485 638822729 /nfs/dbraw/zinc/82/27/29/638822729.db2.gz JDXGQWRVFDBNEW-MVJTYMMSSA-N 1 3 285.435 3.019 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792264 638952466 /nfs/dbraw/zinc/95/24/66/638952466.db2.gz YQBLVPHTFMEMHX-INIZCTEOSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792264 638952468 /nfs/dbraw/zinc/95/24/68/638952468.db2.gz YQBLVPHTFMEMHX-INIZCTEOSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)CCO2 ZINC000247037143 640707597 /nfs/dbraw/zinc/70/75/97/640707597.db2.gz LNUICYSATOICBU-RRQGHBQHSA-N 1 3 288.435 3.145 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250859740 640818006 /nfs/dbraw/zinc/81/80/06/640818006.db2.gz BAPPGMNVDASQPR-RBSFLKMASA-N 1 3 278.465 3.457 20 0 CGADHO CCC[NH+]1CCC(N[C@H](C)C[C@H](O)c2cccs2)CC1 ZINC000305782796 640904363 /nfs/dbraw/zinc/90/43/63/640904363.db2.gz VRCMHIYPLXBDFJ-HIFRSBDPSA-N 1 3 296.480 3.024 20 0 CGADHO CCCC[C@H](O)CNC1CC[NH+](CC2CCCCC2)CC1 ZINC001252117085 806004397 /nfs/dbraw/zinc/00/43/97/806004397.db2.gz BRCJAIBPPVOJEG-SFHVURJKSA-N 1 3 296.499 3.172 20 0 CGADHO CCCC[C@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001252117085 806004406 /nfs/dbraw/zinc/00/44/06/806004406.db2.gz BRCJAIBPPVOJEG-SFHVURJKSA-N 1 3 296.499 3.172 20 0 CGADHO Cc1nc2ccc(Nc3ccc4c(c3)C[NH2+]CC4)cc2[nH]1 ZINC001159615752 806132991 /nfs/dbraw/zinc/13/29/91/806132991.db2.gz TWRRGTLOGVBACA-UHFFFAOYSA-N 1 3 278.359 3.261 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504802 806424134 /nfs/dbraw/zinc/42/41/34/806424134.db2.gz WKOVXMJJNLHVFW-HOCLYGCPSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504802 806424136 /nfs/dbraw/zinc/42/41/36/806424136.db2.gz WKOVXMJJNLHVFW-HOCLYGCPSA-N 1 3 278.827 3.401 20 0 CGADHO [NH3+]C1(c2ccccc2)CCN(C2Cc3ccccc3C2)CC1 ZINC001255017993 806526906 /nfs/dbraw/zinc/52/69/06/806526906.db2.gz CNBRIYGYWAWSPJ-UHFFFAOYSA-N 1 3 292.426 3.104 20 0 CGADHO CC(C)[PH+](CCNc1cccc(N)n1)C(C)C ZINC001162357666 806564529 /nfs/dbraw/zinc/56/45/29/806564529.db2.gz DWOADRIOOJERPI-UHFFFAOYSA-N 1 3 253.330 3.374 20 0 CGADHO Cc1cc2cc(N[C@@H]3CCC[C@H]([NH3+])C3)ccc2cn1 ZINC001162404578 806578324 /nfs/dbraw/zinc/57/83/24/806578324.db2.gz OLKIZYJSAGRYTP-LSDHHAIUSA-N 1 3 255.365 3.225 20 0 CGADHO CC1(C)CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001255300587 806600065 /nfs/dbraw/zinc/60/00/65/806600065.db2.gz ATUQVZLHPKTNNN-JCNLHEQBSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(C3CCC(C(F)(F)F)CC3)C2)C1 ZINC001255520413 806661076 /nfs/dbraw/zinc/66/10/76/806661076.db2.gz FNQZSICRTAPYGI-JXQTWKCFSA-N 1 3 290.373 3.135 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(C3CCC(C(F)(F)F)CC3)C2)C1 ZINC001255520413 806661079 /nfs/dbraw/zinc/66/10/79/806661079.db2.gz FNQZSICRTAPYGI-JXQTWKCFSA-N 1 3 290.373 3.135 20 0 CGADHO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc(CN(C)C)cn2)c1 ZINC001162902243 806682082 /nfs/dbraw/zinc/68/20/82/806682082.db2.gz FXQMSYJSXBYZQM-ZDUSSCGKSA-N 1 3 294.402 3.107 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690344 806706834 /nfs/dbraw/zinc/70/68/34/806706834.db2.gz UPFJAJQVQBPJNT-NWDGAFQWSA-N 1 3 266.351 3.167 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690344 806706843 /nfs/dbraw/zinc/70/68/43/806706843.db2.gz UPFJAJQVQBPJNT-NWDGAFQWSA-N 1 3 266.351 3.167 20 0 CGADHO CCCN(CCC[NH3+])[C@H](C)CSc1ccc(F)cc1 ZINC001255729072 806723102 /nfs/dbraw/zinc/72/31/02/806723102.db2.gz FEQILPFGMBNYOY-CYBMUJFWSA-N 1 3 284.444 3.367 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)CSc1ccc(F)cc1 ZINC001255729072 806723107 /nfs/dbraw/zinc/72/31/07/806723107.db2.gz FEQILPFGMBNYOY-CYBMUJFWSA-N 1 3 284.444 3.367 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)CSc1ccc(F)cc1 ZINC001255729072 806723111 /nfs/dbraw/zinc/72/31/11/806723111.db2.gz FEQILPFGMBNYOY-CYBMUJFWSA-N 1 3 284.444 3.367 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)[NH2+]C(C)(C)C(C)(C)N ZINC001255735374 806726135 /nfs/dbraw/zinc/72/61/35/806726135.db2.gz DOQGDMUPYIZDFV-LLVKDONJSA-N 1 3 284.444 3.412 20 0 CGADHO CC(C)Oc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000380823258 799367421 /nfs/dbraw/zinc/36/74/21/799367421.db2.gz QIYFFRGUXCTRPK-INIZCTEOSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)CN(C)C ZINC000386431782 799436375 /nfs/dbraw/zinc/43/63/75/799436375.db2.gz BGCAWVAWSPHHNV-FXUDXRNXSA-N 1 3 252.446 3.133 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000389043840 799459581 /nfs/dbraw/zinc/45/95/81/799459581.db2.gz OBSQEZJYBZPPKK-ZDUSSCGKSA-N 1 3 268.351 3.185 20 0 CGADHO CC(C)c1cnc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000700798600 799879549 /nfs/dbraw/zinc/87/95/49/799879549.db2.gz SYXSFXXSQWBLMX-ZIAGYGMSSA-N 1 3 279.428 3.137 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccsc1 ZINC001255942213 806790498 /nfs/dbraw/zinc/79/04/98/806790498.db2.gz CYOBGOFWUXHWTC-CYBMUJFWSA-N 1 3 254.443 3.001 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccsc1 ZINC001255942213 806790501 /nfs/dbraw/zinc/79/05/01/806790501.db2.gz CYOBGOFWUXHWTC-CYBMUJFWSA-N 1 3 254.443 3.001 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOCc1ccccc1 ZINC001255942551 806791836 /nfs/dbraw/zinc/79/18/36/806791836.db2.gz FENPSOOEVYMDRF-QGZVFWFLSA-N 1 3 292.467 3.303 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNCC2(C)C)CC(C)(C)C1 ZINC000708327832 799984899 /nfs/dbraw/zinc/98/48/99/799984899.db2.gz CLUYNXNAELJUCW-MCIONIFRSA-N 1 3 252.446 3.179 20 0 CGADHO CC1(C)CCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000710905929 800041713 /nfs/dbraw/zinc/04/17/13/800041713.db2.gz HUGYCDLYKCCROT-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CC1(C)CCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000710905929 800041722 /nfs/dbraw/zinc/04/17/22/800041722.db2.gz HUGYCDLYKCCROT-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255955451 806798868 /nfs/dbraw/zinc/79/88/68/806798868.db2.gz UGFWLVULODCDCG-JKSUJKDBSA-N 1 3 296.499 3.434 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1([C@H]2CCOC(C)(C)C2)CC1 ZINC001255955449 806798881 /nfs/dbraw/zinc/79/88/81/806798881.db2.gz UGFWLVULODCDCG-HOTGVXAUSA-N 1 3 296.499 3.434 20 0 CGADHO C1=C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716719426 800178911 /nfs/dbraw/zinc/17/89/11/800178911.db2.gz SOWCOQNXKYZDFU-OKYOBFRVSA-N 1 3 282.431 3.348 20 0 CGADHO C[C@@H](Cc1ccccn1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001256402624 806883704 /nfs/dbraw/zinc/88/37/04/806883704.db2.gz KWKPONFNCOJAPO-AWEZNQCLSA-N 1 3 289.467 3.254 20 0 CGADHO C[C@@H](Cc1ccccn1)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001256402624 806883709 /nfs/dbraw/zinc/88/37/09/806883709.db2.gz KWKPONFNCOJAPO-AWEZNQCLSA-N 1 3 289.467 3.254 20 0 CGADHO Cc1ccc2c(c1)nccc2N(CCC[NH3+])C(C)C ZINC001164128841 806897480 /nfs/dbraw/zinc/89/74/80/806897480.db2.gz KNFKMKJPHMUOJT-UHFFFAOYSA-N 1 3 257.381 3.107 20 0 CGADHO C[C@H](N)c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521120 806909554 /nfs/dbraw/zinc/90/95/54/806909554.db2.gz ZUNCAQTVRVPOEB-ZOBUZTSGSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1nccn1[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521120 806909557 /nfs/dbraw/zinc/90/95/57/806909557.db2.gz ZUNCAQTVRVPOEB-ZOBUZTSGSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cncc(Cl)c1 ZINC001256621220 806928817 /nfs/dbraw/zinc/92/88/17/806928817.db2.gz MQYCZZXKRYUQQT-SLYWTYHBSA-N 1 3 279.815 3.011 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678467 806947417 /nfs/dbraw/zinc/94/74/17/806947417.db2.gz WRTRNLATHVHIJT-VEZWFGLTSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](Cc1ccncc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001256718388 806954960 /nfs/dbraw/zinc/95/49/60/806954960.db2.gz IEXPFBIEBKNASF-APWZRJJASA-N 1 3 297.446 3.295 20 0 CGADHO C[C@@H](Cc1ccncc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001256722482 806957402 /nfs/dbraw/zinc/95/74/02/806957402.db2.gz FCUVVYYNDFPESE-AWEZNQCLSA-N 1 3 289.467 3.254 20 0 CGADHO Cc1cccc([C@H](NC[C@H]2CCC[NH2+]C2)C(C)C)c1 ZINC001118898492 802615474 /nfs/dbraw/zinc/61/54/74/802615474.db2.gz XEUAUIMSTMYOQR-DOTOQJQBSA-N 1 3 260.425 3.281 20 0 CGADHO CCN(CC)Cc1cc(C2=C[NH2+]CCC2)ccc1OC ZINC001243951249 803096801 /nfs/dbraw/zinc/09/68/01/803096801.db2.gz FJEFDPMUNRXEIP-UHFFFAOYSA-N 1 3 274.408 3.261 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2ccnc(Cl)c2)CC1 ZINC001138820553 804047547 /nfs/dbraw/zinc/04/75/47/804047547.db2.gz NKZGMTPPVLDJRF-UHFFFAOYSA-N 1 3 295.858 3.287 20 0 CGADHO c1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246072008 804110968 /nfs/dbraw/zinc/11/09/68/804110968.db2.gz NWGWLWXPAFLIGV-MOPGFXCFSA-N 1 3 280.415 3.140 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccccc2C)CC[NH2+]1 ZINC001246075085 804114655 /nfs/dbraw/zinc/11/46/55/804114655.db2.gz HJLIZZSPBINJIP-QZTJIDSGSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CCc2ccccc2C)CCN1 ZINC001246075085 804114661 /nfs/dbraw/zinc/11/46/61/804114661.db2.gz HJLIZZSPBINJIP-QZTJIDSGSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+]C1CCNCC1 ZINC001246076674 804114775 /nfs/dbraw/zinc/11/47/75/804114775.db2.gz FDVMFMSEHCOENU-KRWDZBQOSA-N 1 3 260.425 3.130 20 0 CGADHO C[C@@H](Cc1ccccc1F)NC[C@@]1(C)CCCC[NH2+]C1 ZINC001246090645 804122018 /nfs/dbraw/zinc/12/20/18/804122018.db2.gz LIEVFTHOCKJWRR-YOEHRIQHSA-N 1 3 278.415 3.126 20 0 CGADHO CC1(C[NH2+][C@@H]2CCCC3(CCCCC3)C2)CNC1 ZINC001246096074 804128381 /nfs/dbraw/zinc/12/83/81/804128381.db2.gz SYXKOESOODYNTR-CQSZACIVSA-N 1 3 250.430 3.079 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246099825 804131992 /nfs/dbraw/zinc/13/19/92/804131992.db2.gz KLEYNUFHOPBBBS-NSHDSACASA-N 1 3 287.234 3.178 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)NC[C@H]1CC[C@H](C)C[NH2+]1 ZINC001246101881 804135779 /nfs/dbraw/zinc/13/57/79/804135779.db2.gz BUZUJZJFPVBHGZ-YHUYYLMFSA-N 1 3 254.462 3.425 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@@H]1C[NH2+]CC[C@H]1C ZINC001246118018 804149572 /nfs/dbraw/zinc/14/95/72/804149572.db2.gz DUBMDOVRQUFBSH-UPJWGTAASA-N 1 3 298.833 3.245 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246142990 804165318 /nfs/dbraw/zinc/16/53/18/804165318.db2.gz DVDXQNGRJOJBGY-BTABJRDXSA-N 1 3 299.245 3.122 20 0 CGADHO C[C@H]1C[C@@H](NCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246160050 804176220 /nfs/dbraw/zinc/17/62/20/804176220.db2.gz SBNLXHMQCGTXFD-QWRGUYRKSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)CCN1 ZINC001246160050 804176226 /nfs/dbraw/zinc/17/62/26/804176226.db2.gz SBNLXHMQCGTXFD-QWRGUYRKSA-N 1 3 287.234 3.266 20 0 CGADHO CCc1ccc(CC[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC001246161278 804177930 /nfs/dbraw/zinc/17/79/30/804177930.db2.gz ZKLHZTZYZIDXGE-KRWDZBQOSA-N 1 3 272.436 3.056 20 0 CGADHO C([NH2+][C@@H]1CCNC2(CCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246170665 804185639 /nfs/dbraw/zinc/18/56/39/804185639.db2.gz ISHQOJSMAIWNIJ-AWDGRILASA-N 1 3 288.479 3.467 20 0 CGADHO CCC[C@H](CCc1ccccc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246172484 804187386 /nfs/dbraw/zinc/18/73/86/804187386.db2.gz HJOZLHSFQFGOQY-MSOLQXFVSA-N 1 3 292.442 3.469 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246178730 804192763 /nfs/dbraw/zinc/19/27/63/804192763.db2.gz OBXXYPKQPCBNCV-WFASDCNBSA-N 1 3 266.816 3.003 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001246184895 804196390 /nfs/dbraw/zinc/19/63/90/804196390.db2.gz WBHXFBWKIPIPCA-HDEZJCGLSA-N 1 3 290.476 3.063 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246211204 804207967 /nfs/dbraw/zinc/20/79/67/804207967.db2.gz PVUQSKDPTQBWDT-OWCLPIDISA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC001246210850 804208241 /nfs/dbraw/zinc/20/82/41/804208241.db2.gz NRWRKUFHGAHGHR-JQHSSLGASA-N 1 3 274.452 3.231 20 0 CGADHO C[C@H]1CC[C@@H](N[C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236305 804227972 /nfs/dbraw/zinc/22/79/72/804227972.db2.gz VKRYSQIAGWCXJM-XOYOTBSWSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246240663 804232139 /nfs/dbraw/zinc/23/21/39/804232139.db2.gz SVOUZXGOFSRODQ-YWVIFJGQSA-N 1 3 292.854 3.490 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C[C@H](C)N1 ZINC001246240663 804232146 /nfs/dbraw/zinc/23/21/46/804232146.db2.gz SVOUZXGOFSRODQ-YWVIFJGQSA-N 1 3 292.854 3.490 20 0 CGADHO OCCCCCCCCCCCC[NH2+]C1CCNCC1 ZINC001246270452 804248336 /nfs/dbraw/zinc/24/83/36/804248336.db2.gz FUSBFRRHCBPSCE-UHFFFAOYSA-N 1 3 284.488 3.221 20 0 CGADHO CC[C@H]1CC(NCCc2ccc(F)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246277503 804253368 /nfs/dbraw/zinc/25/33/68/804253368.db2.gz ICDNGQXYJFUBSD-KBPBESRZSA-N 1 3 296.405 3.406 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(F)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246277504 804253593 /nfs/dbraw/zinc/25/35/93/804253593.db2.gz ICDNGQXYJFUBSD-QDMKHBRRSA-N 1 3 296.405 3.406 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@@H](C)CSc1ccc(F)cc1 ZINC001246300487 804266214 /nfs/dbraw/zinc/26/62/14/804266214.db2.gz OORBAXWTUJGHHR-JSGCOSHPSA-N 1 3 284.444 3.269 20 0 CGADHO CC[C@H]1C[C@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246308785 804271758 /nfs/dbraw/zinc/27/17/58/804271758.db2.gz MBPFAXWJBDCCOY-LSDHHAIUSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H](C)Cc1cccc(Cl)c1 ZINC001246310871 804274032 /nfs/dbraw/zinc/27/40/32/804274032.db2.gz OGEIRTNZFPHQIZ-WFASDCNBSA-N 1 3 268.832 3.234 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246329447 804284978 /nfs/dbraw/zinc/28/49/78/804284978.db2.gz QHNKPEKKVDFOKX-HYVNUMGLSA-N 1 3 260.425 3.128 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC001246371197 804308419 /nfs/dbraw/zinc/30/84/19/804308419.db2.gz IPDSNFAKOVRATG-ZBFHGGJFSA-N 1 3 292.492 3.453 20 0 CGADHO CC1(C)CCC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246381775 804314644 /nfs/dbraw/zinc/31/46/44/804314644.db2.gz SECYFBRUYMYWSK-HNNXBMFYSA-N 1 3 264.457 3.467 20 0 CGADHO Clc1ccccc1CC1(C[NH2+][C@H]2CCCCNC2)CC1 ZINC001246386576 804315880 /nfs/dbraw/zinc/31/58/80/804315880.db2.gz WYWLBOSSPDRCJF-HNNXBMFYSA-N 1 3 292.854 3.394 20 0 CGADHO C[C@@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246433893 804331886 /nfs/dbraw/zinc/33/18/86/804331886.db2.gz KSJNNYZPURUTAG-UKRRQHHQSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)CCN1 ZINC001246433893 804331895 /nfs/dbraw/zinc/33/18/95/804331895.db2.gz KSJNNYZPURUTAG-UKRRQHHQSA-N 1 3 276.399 3.021 20 0 CGADHO CC1(C)CC[C@@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC001246435416 804332153 /nfs/dbraw/zinc/33/21/53/804332153.db2.gz NKSNQZVILYBSPI-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H]1CC([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@H](C)N1 ZINC001246442659 804333613 /nfs/dbraw/zinc/33/36/13/804333613.db2.gz KJYOLTMENJHNAG-OBPPPDSMSA-N 1 3 264.457 3.176 20 0 CGADHO CC[C@@]1(CN[C@H]2C[C@H](C)CC(C)(C)C2)CCC[NH2+]1 ZINC001246455301 804337134 /nfs/dbraw/zinc/33/71/34/804337134.db2.gz IWRTXCAYIIOANS-DZKIICNBSA-N 1 3 252.446 3.323 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246462880 804345095 /nfs/dbraw/zinc/34/50/95/804345095.db2.gz SWLLHHDABDBXNZ-MGPQQGTHSA-N 1 3 296.480 3.410 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246462880 804345104 /nfs/dbraw/zinc/34/51/04/804345104.db2.gz SWLLHHDABDBXNZ-MGPQQGTHSA-N 1 3 296.480 3.410 20 0 CGADHO CCCCC[C@H](CCC)[NH2+][C@H]1CCNCC12CC2 ZINC001246473324 804350703 /nfs/dbraw/zinc/35/07/03/804350703.db2.gz KPYTZMQRILBLFT-GJZGRUSLSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCNCC23CC3)cc1 ZINC001246474658 804351071 /nfs/dbraw/zinc/35/10/71/804351071.db2.gz RNTDGOQGKYGOOF-RDJZCZTQSA-N 1 3 272.436 3.048 20 0 CGADHO CC[C@@H]1C[C@H](NC[C@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246476135 804352253 /nfs/dbraw/zinc/35/22/53/804352253.db2.gz WLEHNSRURIYLBF-CAOSSQGBSA-N 1 3 287.451 3.095 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246475134 804353155 /nfs/dbraw/zinc/35/31/55/804353155.db2.gz RXHMZLRCRMWJLP-HUUCEWRRSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246495614 804361429 /nfs/dbraw/zinc/36/14/29/804361429.db2.gz KSVJSUOOGIPRCK-NJAFHUGGSA-N 1 3 274.452 3.376 20 0 CGADHO CC[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)C1CNC1 ZINC001246519333 804372402 /nfs/dbraw/zinc/37/24/02/804372402.db2.gz RTAYAGCISPOANK-NRXISQOPSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[NH+](CC(C)C)[C@@H]1CCN[C@H](C(C)C)C1 ZINC001246519668 804373972 /nfs/dbraw/zinc/37/39/72/804373972.db2.gz DDCGQTOHQHEVCR-CVEARBPZSA-N 1 3 254.462 3.377 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246519584 804374612 /nfs/dbraw/zinc/37/46/12/804374612.db2.gz SJJUGVVURGQKLP-OALUTQOASA-N 1 3 286.463 3.376 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246521004 804375951 /nfs/dbraw/zinc/37/59/51/804375951.db2.gz XWHJWYXJJHGTTR-HZPDHXFCSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@H](N)CC2)cc1 ZINC001246539236 804388442 /nfs/dbraw/zinc/38/84/42/804388442.db2.gz FWAAYGOKGQALIE-DOTOQJQBSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](N)CC2)cc1 ZINC001246539236 804388451 /nfs/dbraw/zinc/38/84/51/804388451.db2.gz FWAAYGOKGQALIE-DOTOQJQBSA-N 1 3 260.425 3.129 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](N)CC1 ZINC001246544899 804393089 /nfs/dbraw/zinc/39/30/89/804393089.db2.gz HVUZOCCBWLEUKJ-ROUUACIJSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](N)CC1 ZINC001246544899 804393094 /nfs/dbraw/zinc/39/30/94/804393094.db2.gz HVUZOCCBWLEUKJ-ROUUACIJSA-N 1 3 274.452 3.457 20 0 CGADHO c1ccc([C@@H]2CCCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246546617 804394819 /nfs/dbraw/zinc/39/48/19/804394819.db2.gz AUAOCOJMKFUYBN-WFFDWFOESA-N 1 3 270.420 3.497 20 0 CGADHO C[C@H]1c2ccccc2CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546263 804396455 /nfs/dbraw/zinc/39/64/55/804396455.db2.gz JLGCBADISLDFQA-LLLHUVSDSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546263 804396462 /nfs/dbraw/zinc/39/64/62/804396462.db2.gz JLGCBADISLDFQA-LLLHUVSDSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546263 804396470 /nfs/dbraw/zinc/39/64/70/804396470.db2.gz JLGCBADISLDFQA-LLLHUVSDSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001246562896 804411695 /nfs/dbraw/zinc/41/16/95/804411695.db2.gz ICNBALKXHZMYBC-UMVBOHGHSA-N 1 3 280.843 3.330 20 0 CGADHO CC(C)=CCC[C@@H](C)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573416 804420910 /nfs/dbraw/zinc/42/09/10/804420910.db2.gz CERLKFDGIOPZOB-HUUCEWRRSA-N 1 3 256.409 3.274 20 0 CGADHO [NH3+]C[C@@H]1CCCCN([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579583 804424159 /nfs/dbraw/zinc/42/41/59/804424159.db2.gz CGCNIZZDTFKIGD-ZFWWWQNUSA-N 1 3 292.854 3.258 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001246595009 804435303 /nfs/dbraw/zinc/43/53/03/804435303.db2.gz XHENZTMNYQJUTD-KBAYOESNSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001246595009 804435306 /nfs/dbraw/zinc/43/53/06/804435306.db2.gz XHENZTMNYQJUTD-KBAYOESNSA-N 1 3 274.452 3.457 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001246594016 804435396 /nfs/dbraw/zinc/43/53/96/804435396.db2.gz UVZFVXKJCRFKIN-VKJFTORMSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001246594016 804435397 /nfs/dbraw/zinc/43/53/97/804435397.db2.gz UVZFVXKJCRFKIN-VKJFTORMSA-N 1 3 274.452 3.239 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593344 804435755 /nfs/dbraw/zinc/43/57/55/804435755.db2.gz MECBADNIJMQYQF-ULQDDVLXSA-N 1 3 284.488 3.433 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593344 804435756 /nfs/dbraw/zinc/43/57/56/804435756.db2.gz MECBADNIJMQYQF-ULQDDVLXSA-N 1 3 284.488 3.433 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246610536 804444535 /nfs/dbraw/zinc/44/45/35/804444535.db2.gz BPUVHZFGAOKZQA-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@]3(CCCCN3)C2)C1 ZINC001246610536 804444537 /nfs/dbraw/zinc/44/45/37/804444537.db2.gz BPUVHZFGAOKZQA-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@H]([N@H+]2CCC[C@]3(CCCCN3)C2)C1 ZINC001246610536 804444540 /nfs/dbraw/zinc/44/45/40/804444540.db2.gz BPUVHZFGAOKZQA-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246610595 804444808 /nfs/dbraw/zinc/44/48/08/804444808.db2.gz PTPKMANUEZSUPF-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@]12CCCNC2 ZINC001246610595 804444813 /nfs/dbraw/zinc/44/48/13/804444813.db2.gz PTPKMANUEZSUPF-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2CCC23CCNCC3)CC1 ZINC001246643171 804469942 /nfs/dbraw/zinc/46/99/42/804469942.db2.gz RBODNIUCTDRCNJ-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2CCC23CCNCC3)CC1 ZINC001246643171 804469947 /nfs/dbraw/zinc/46/99/47/804469947.db2.gz RBODNIUCTDRCNJ-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CCCC[C@@]12CC[NH2+]C2 ZINC001246642998 804470265 /nfs/dbraw/zinc/47/02/65/804470265.db2.gz LDOLQKUHSMNAOS-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(CC[C@@H](C)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC001246646513 804474169 /nfs/dbraw/zinc/47/41/69/804474169.db2.gz FQHVBLYWSONKKQ-MRXNPFEDSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCCC13CCNCC3)CC2 ZINC001246649449 804477013 /nfs/dbraw/zinc/47/70/13/804477013.db2.gz ZJMUYUSHFIODOR-LJQANCHMSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CCCCC13CCNCC3)CC2 ZINC001246649449 804477015 /nfs/dbraw/zinc/47/70/15/804477015.db2.gz ZJMUYUSHFIODOR-LJQANCHMSA-N 1 3 298.474 3.460 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246661220 804484268 /nfs/dbraw/zinc/48/42/68/804484268.db2.gz KOSLTCLIQVUQFZ-BTABJRDXSA-N 1 3 299.245 3.203 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)C1 ZINC001246673922 804489409 /nfs/dbraw/zinc/48/94/09/804489409.db2.gz QPCFUFCIZHITIB-BTHPGYMESA-N 1 3 298.474 3.428 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)C1 ZINC001246673922 804489412 /nfs/dbraw/zinc/48/94/12/804489412.db2.gz QPCFUFCIZHITIB-BTHPGYMESA-N 1 3 298.474 3.428 20 0 CGADHO CCCCC1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246682162 804495834 /nfs/dbraw/zinc/49/58/34/804495834.db2.gz TVNXFNPDWIQAPK-ZSHCYNCHSA-N 1 3 250.430 3.172 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246685740 804495883 /nfs/dbraw/zinc/49/58/83/804495883.db2.gz BDWBTAIPRRMSPZ-JYJNAYRXSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246685740 804495886 /nfs/dbraw/zinc/49/58/86/804495886.db2.gz BDWBTAIPRRMSPZ-JYJNAYRXSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC(C)(C)C1 ZINC001246688709 804497558 /nfs/dbraw/zinc/49/75/58/804497558.db2.gz HFTXLFOKSWPOJJ-AESZEHBQSA-N 1 3 282.447 3.225 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC(C)(C)C1 ZINC001246688709 804497563 /nfs/dbraw/zinc/49/75/63/804497563.db2.gz HFTXLFOKSWPOJJ-AESZEHBQSA-N 1 3 282.447 3.225 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246692203 804499552 /nfs/dbraw/zinc/49/95/52/804499552.db2.gz MZOFIMHQMBGUFA-XHSDSOJGSA-N 1 3 270.436 3.225 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246692203 804499556 /nfs/dbraw/zinc/49/95/56/804499556.db2.gz MZOFIMHQMBGUFA-XHSDSOJGSA-N 1 3 270.436 3.225 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2cccs2)CCN1 ZINC001246790499 804512751 /nfs/dbraw/zinc/51/27/51/804512751.db2.gz WWAMKYWBYJTWHK-JHJVBQTASA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@H]2c2cccs2)CC[NH2+]1 ZINC001246790499 804512746 /nfs/dbraw/zinc/51/27/46/804512746.db2.gz WWAMKYWBYJTWHK-JHJVBQTASA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2cccs2)CCN1 ZINC001246790499 804512749 /nfs/dbraw/zinc/51/27/49/804512749.db2.gz WWAMKYWBYJTWHK-JHJVBQTASA-N 1 3 250.411 3.026 20 0 CGADHO CCCCCC[C@@H](CC)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789003 804512807 /nfs/dbraw/zinc/51/28/07/804512807.db2.gz AMRMYLWCVPQHEY-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@@H](CC)[N@H+]1CCCC2(CNC2)C1 ZINC001246789003 804512809 /nfs/dbraw/zinc/51/28/09/804512809.db2.gz AMRMYLWCVPQHEY-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO c1ccc(C[C@H]2CC[N@@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790444 804513930 /nfs/dbraw/zinc/51/39/30/804513930.db2.gz FZKGWNFQCNDKPK-QZTJIDSGSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(C[C@H]2CC[N@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790444 804513935 /nfs/dbraw/zinc/51/39/35/804513935.db2.gz FZKGWNFQCNDKPK-QZTJIDSGSA-N 1 3 284.447 3.226 20 0 CGADHO C[NH2+]C1CCN(C2CCC3(CCc4ccccc43)CC2)CC1 ZINC001246808683 804527566 /nfs/dbraw/zinc/52/75/66/804527566.db2.gz YFJGIHRJJXCICN-UHFFFAOYSA-N 1 3 298.474 3.497 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(C)(C)OC)CCN1 ZINC001246812384 804528794 /nfs/dbraw/zinc/52/87/94/804528794.db2.gz ZPBOSSPJAZQOFT-OAGGEKHMSA-N 1 3 282.472 3.187 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)(C)OC)CCN1 ZINC001246812384 804528797 /nfs/dbraw/zinc/52/87/97/804528797.db2.gz ZPBOSSPJAZQOFT-OAGGEKHMSA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2CCCCCCC2)CCN1 ZINC001246814790 804529697 /nfs/dbraw/zinc/52/96/97/804529697.db2.gz SIRIFWUGSMVMTL-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CNCC[C@H](C)[N@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001246813848 804530774 /nfs/dbraw/zinc/53/07/74/804530774.db2.gz OSPKQEFBTUTBQE-HNNXBMFYSA-N 1 3 278.516 3.364 20 0 CGADHO CNCC[C@H](C)[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001246813848 804530779 /nfs/dbraw/zinc/53/07/79/804530779.db2.gz OSPKQEFBTUTBQE-HNNXBMFYSA-N 1 3 278.516 3.364 20 0 CGADHO CCc1ccc(C[C@@H](C)N(C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246844580 804554531 /nfs/dbraw/zinc/55/45/31/804554531.db2.gz ZJQYUJFPYIZOQI-CRAIPNDOSA-N 1 3 274.452 3.111 20 0 CGADHO c1ccc(C2CCC([N@@H+]3C[C@@H]4CCNC[C@@H]4C3)CC2)cc1 ZINC001246849235 804559961 /nfs/dbraw/zinc/55/99/61/804559961.db2.gz ZCVQAWAABWKEHR-CXUOOODFSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc(C2CCC([N@H+]3C[C@@H]4CCNC[C@@H]4C3)CC2)cc1 ZINC001246849235 804559967 /nfs/dbraw/zinc/55/99/67/804559967.db2.gz ZCVQAWAABWKEHR-CXUOOODFSA-N 1 3 284.447 3.254 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850237 804560083 /nfs/dbraw/zinc/56/00/83/804560083.db2.gz INUPMCRATMKHEO-NOLJZWGESA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850237 804560087 /nfs/dbraw/zinc/56/00/87/804560087.db2.gz INUPMCRATMKHEO-NOLJZWGESA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850237 804560092 /nfs/dbraw/zinc/56/00/92/804560092.db2.gz INUPMCRATMKHEO-NOLJZWGESA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856207 804563137 /nfs/dbraw/zinc/56/31/37/804563137.db2.gz ZQXIHRAEFCFUEE-UWWQBHOKSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856207 804563141 /nfs/dbraw/zinc/56/31/41/804563141.db2.gz ZQXIHRAEFCFUEE-UWWQBHOKSA-N 1 3 290.426 3.221 20 0 CGADHO CC[C@H]1c2ccccc2CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861308 804565514 /nfs/dbraw/zinc/56/55/14/804565514.db2.gz AVQCRVNMAGUEID-DFGXFYAUSA-N 1 3 270.420 3.279 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH+]2CCCCCCCC2)CCN1 ZINC001246918444 804598910 /nfs/dbraw/zinc/59/89/10/804598910.db2.gz FJULUABYEZOCFH-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@@H](CC)[N@H+](CCOC)[C@H]1CCCNC1 ZINC001246927647 804605637 /nfs/dbraw/zinc/60/56/37/804605637.db2.gz HTGKLWURSSDHLS-SJORKVTESA-N 1 3 284.488 3.436 20 0 CGADHO CCCCCC[C@@H](CC)[N@@H+](CCOC)[C@H]1CCCNC1 ZINC001246927647 804605639 /nfs/dbraw/zinc/60/56/39/804605639.db2.gz HTGKLWURSSDHLS-SJORKVTESA-N 1 3 284.488 3.436 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(C)cc1 ZINC001246935297 804607341 /nfs/dbraw/zinc/60/73/41/804607341.db2.gz GPBNWLPFPCXMLT-HZPDHXFCSA-N 1 3 292.492 3.407 20 0 CGADHO CCC(CC)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938956 804610954 /nfs/dbraw/zinc/61/09/54/804610954.db2.gz QMGQVRSPXOFBGX-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO CCC(CC)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938956 804610957 /nfs/dbraw/zinc/61/09/57/804610957.db2.gz QMGQVRSPXOFBGX-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(F)cc1 ZINC001246942168 804612564 /nfs/dbraw/zinc/61/25/64/804612564.db2.gz NIRXKTCSAUXADG-KGLIPLIRSA-N 1 3 296.455 3.238 20 0 CGADHO CC[C@H](CC(C)C)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976755 804623662 /nfs/dbraw/zinc/62/36/62/804623662.db2.gz WCHARRCNPCNQFM-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](CC(C)C)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246976755 804623664 /nfs/dbraw/zinc/62/36/64/804623664.db2.gz WCHARRCNPCNQFM-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc2c(c1)nc([C@H]1CCCCN1)n2C1CC[NH2+]CC1 ZINC001247040641 804648667 /nfs/dbraw/zinc/64/86/67/804648667.db2.gz WLTSEPYCIXXWNM-OAHLLOKOSA-N 1 3 298.434 3.084 20 0 CGADHO CCc1cc(CN(C)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144137536 804943898 /nfs/dbraw/zinc/94/38/98/804943898.db2.gz JTVJTFLSWVMQQC-UHFFFAOYSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257083117 807046642 /nfs/dbraw/zinc/04/66/42/807046642.db2.gz FSDAHQRCOAXFGY-CUSZFKRNSA-N 1 3 290.451 3.039 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257083117 807046651 /nfs/dbraw/zinc/04/66/51/807046651.db2.gz FSDAHQRCOAXFGY-CUSZFKRNSA-N 1 3 290.451 3.039 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1C[C@@H](C)O[C@H](C)C1 ZINC001257083116 807047018 /nfs/dbraw/zinc/04/70/18/807047018.db2.gz FSDAHQRCOAXFGY-BZUAXINKSA-N 1 3 290.451 3.039 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@@H](C)O[C@H](C)C1 ZINC001257083116 807047026 /nfs/dbraw/zinc/04/70/26/807047026.db2.gz FSDAHQRCOAXFGY-BZUAXINKSA-N 1 3 290.451 3.039 20 0 CGADHO CCC1CCC(N2CCC([N@H+](C)CC)CC2)CC1 ZINC001256875638 806998662 /nfs/dbraw/zinc/99/86/62/806998662.db2.gz CKPUBVQOKHLCAC-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CCC1CCC(N2CCC([N@@H+](C)CC)CC2)CC1 ZINC001256875638 806998665 /nfs/dbraw/zinc/99/86/65/806998665.db2.gz CKPUBVQOKHLCAC-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CCC1CCC([NH+]2CCC(N(C)CC)CC2)CC1 ZINC001256875638 806998668 /nfs/dbraw/zinc/99/86/68/806998668.db2.gz CKPUBVQOKHLCAC-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CCC[C@H](C)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001257312320 807101578 /nfs/dbraw/zinc/10/15/78/807101578.db2.gz CFDYGGWLVXSJJQ-AWEZNQCLSA-N 1 3 276.424 3.134 20 0 CGADHO CCCCCC[C@H](C)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001257364006 807126687 /nfs/dbraw/zinc/12/66/87/807126687.db2.gz ULEUPOFWADRDRM-HNNXBMFYSA-N 1 3 298.471 3.092 20 0 CGADHO CC[C@H](C)[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001167048617 807136307 /nfs/dbraw/zinc/13/63/07/807136307.db2.gz HSCUZDIVCXXKIJ-GJZGRUSLSA-N 1 3 252.446 3.371 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001257467192 807170295 /nfs/dbraw/zinc/17/02/95/807170295.db2.gz HLEQGUBQZQUNHY-ROUUACIJSA-N 1 3 297.531 3.207 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCNc1c[nH]cc2ccnc1-2 ZINC001167753759 807243698 /nfs/dbraw/zinc/24/36/98/807243698.db2.gz QFMJPVCOHGNTIL-ZDUSSCGKSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCNc1c[nH]cc2ccnc1-2 ZINC001167753759 807243701 /nfs/dbraw/zinc/24/37/01/807243701.db2.gz QFMJPVCOHGNTIL-ZDUSSCGKSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCNc1cncc2cc[nH]c21 ZINC001167753759 807243705 /nfs/dbraw/zinc/24/37/05/807243705.db2.gz QFMJPVCOHGNTIL-ZDUSSCGKSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCNc1cncc2cc[nH]c21 ZINC001167753759 807243710 /nfs/dbraw/zinc/24/37/10/807243710.db2.gz QFMJPVCOHGNTIL-ZDUSSCGKSA-N 1 3 272.396 3.239 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC001258006017 807265244 /nfs/dbraw/zinc/26/52/44/807265244.db2.gz COPQJDRDUGBBAA-GOSISDBHSA-N 1 3 287.451 3.243 20 0 CGADHO NC1(c2ccccc2Cl)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917885 807274224 /nfs/dbraw/zinc/27/42/24/807274224.db2.gz DHZZHDBKGONWIR-BTTYYORXSA-N 1 3 290.838 3.388 20 0 CGADHO C[C@@]1(CF)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983835 807290425 /nfs/dbraw/zinc/29/04/25/807290425.db2.gz JHLUCGQSIKPKNB-WFVVYAPDSA-N 1 3 280.431 3.073 20 0 CGADHO C[C@@]1(CF)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983835 807290432 /nfs/dbraw/zinc/29/04/32/807290432.db2.gz JHLUCGQSIKPKNB-WFVVYAPDSA-N 1 3 280.431 3.073 20 0 CGADHO C[C@@]1(CF)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167983835 807290438 /nfs/dbraw/zinc/29/04/38/807290438.db2.gz JHLUCGQSIKPKNB-WFVVYAPDSA-N 1 3 280.431 3.073 20 0 CGADHO C[C@@]1(CF)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167983835 807290441 /nfs/dbraw/zinc/29/04/41/807290441.db2.gz JHLUCGQSIKPKNB-WFVVYAPDSA-N 1 3 280.431 3.073 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH+]1C[C@H]3CCC[C@@H]3C1)C2 ZINC001167983304 807290619 /nfs/dbraw/zinc/29/06/19/807290619.db2.gz FIBWRARZLURHFP-VQVIJEGRSA-N 1 3 274.452 3.124 20 0 CGADHO C[N@H+](CC1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994484 807295551 /nfs/dbraw/zinc/29/55/51/807295551.db2.gz GHAXADKFWQXBNV-XYPWUTKMSA-N 1 3 298.421 3.369 20 0 CGADHO C[N@@H+](CC1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994484 807295556 /nfs/dbraw/zinc/29/55/56/807295556.db2.gz GHAXADKFWQXBNV-XYPWUTKMSA-N 1 3 298.421 3.369 20 0 CGADHO CSCC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001258200271 807359966 /nfs/dbraw/zinc/35/99/66/807359966.db2.gz RMTUAWZXIQETRG-CYBMUJFWSA-N 1 3 258.475 3.112 20 0 CGADHO CSCC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001258200271 807359975 /nfs/dbraw/zinc/35/99/75/807359975.db2.gz RMTUAWZXIQETRG-CYBMUJFWSA-N 1 3 258.475 3.112 20 0 CGADHO CCN(C)C1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001258170389 807338915 /nfs/dbraw/zinc/33/89/15/807338915.db2.gz KDTPHNGRUQYUAP-ZIAGYGMSSA-N 1 3 252.446 3.227 20 0 CGADHO C[NH+](C)C1CCC(N[C@H](CF)c2ccccc2)CC1 ZINC001168298299 807375105 /nfs/dbraw/zinc/37/51/05/807375105.db2.gz LHYIGVLAPNDGIO-UYSNPLJNSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@@]1(F)CCCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168371483 807397055 /nfs/dbraw/zinc/39/70/55/807397055.db2.gz GNMYISHHNRUICU-MRXNPFEDSA-N 1 3 268.420 3.075 20 0 CGADHO C[C@@]1(F)CCCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168371483 807397061 /nfs/dbraw/zinc/39/70/61/807397061.db2.gz GNMYISHHNRUICU-MRXNPFEDSA-N 1 3 268.420 3.075 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C1CC(N)C1 ZINC001258300531 807403781 /nfs/dbraw/zinc/40/37/81/807403781.db2.gz RMZUZCPEEYRCPB-HIFPTAJRSA-N 1 3 282.453 3.149 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168413739 807409507 /nfs/dbraw/zinc/40/95/07/807409507.db2.gz AFFRZYGMUNVREO-OKZBNKHCSA-N 1 3 290.426 3.145 20 0 CGADHO CN(C1CC1)C1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258607738 807505077 /nfs/dbraw/zinc/50/50/77/807505077.db2.gz OUOWYHHSOXCPKA-HNNXBMFYSA-N 1 3 250.430 3.124 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCN1C ZINC001258651249 807523524 /nfs/dbraw/zinc/52/35/24/807523524.db2.gz LSQJDSNQZGPOLV-ROUUACIJSA-N 1 3 274.452 3.472 20 0 CGADHO Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC001169092893 807572018 /nfs/dbraw/zinc/57/20/18/807572018.db2.gz DOAMXANXNHDNAS-OSYLJGHBSA-N 1 3 258.409 3.018 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001169100966 807576743 /nfs/dbraw/zinc/57/67/43/807576743.db2.gz NCBAASGWWMRHKP-ZURLZEQWSA-N 1 3 270.420 3.450 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100966 807576745 /nfs/dbraw/zinc/57/67/45/807576745.db2.gz NCBAASGWWMRHKP-ZURLZEQWSA-N 1 3 270.420 3.450 20 0 CGADHO COc1ccccc1C(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169114968 807581554 /nfs/dbraw/zinc/58/15/54/807581554.db2.gz FVXNWZSCKXPRMF-QKDCVEJESA-N 1 3 288.435 3.145 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC1 ZINC001258736199 807581934 /nfs/dbraw/zinc/58/19/34/807581934.db2.gz ODNSUDHTJGYPSA-AWEZNQCLSA-N 1 3 280.843 3.347 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(Cc3ccccc3F)CC1)C2 ZINC001169118817 807582883 /nfs/dbraw/zinc/58/28/83/807582883.db2.gz OEYFZJNJPVUIIR-MUJYYYPQSA-N 1 3 288.410 3.116 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(Cc3ccccc3F)CC1)C2 ZINC001169118817 807582886 /nfs/dbraw/zinc/58/28/86/807582886.db2.gz OEYFZJNJPVUIIR-MUJYYYPQSA-N 1 3 288.410 3.116 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169118383 807583066 /nfs/dbraw/zinc/58/30/66/807583066.db2.gz IVXBOYLTTPNVSG-JONQDZQNSA-N 1 3 288.435 3.361 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)Cc1ccc(Cl)cc1)C2 ZINC001169142444 807589836 /nfs/dbraw/zinc/58/98/36/807589836.db2.gz UVNSPGQWDFKWEL-MUJYYYPQSA-N 1 3 278.827 3.397 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(Cl)cc1)C2 ZINC001169142444 807589841 /nfs/dbraw/zinc/58/98/41/807589841.db2.gz UVNSPGQWDFKWEL-MUJYYYPQSA-N 1 3 278.827 3.397 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152902 807594597 /nfs/dbraw/zinc/59/45/97/807594597.db2.gz GGWPAPUCQGDSNU-XMTFNYHQSA-N 1 3 285.435 3.152 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152902 807594600 /nfs/dbraw/zinc/59/46/00/807594600.db2.gz GGWPAPUCQGDSNU-XMTFNYHQSA-N 1 3 285.435 3.152 20 0 CGADHO CCC[NH+]1CCC(NC(C)(C)c2cccc(OC)c2)CC1 ZINC001258770223 807603736 /nfs/dbraw/zinc/60/37/36/807603736.db2.gz UUDAIXAXHKORJK-UHFFFAOYSA-N 1 3 290.451 3.394 20 0 CGADHO CCC[NH+]1CCC(N(CC)Cc2cccc(OC)c2)CC1 ZINC001258775984 807606958 /nfs/dbraw/zinc/60/69/58/807606958.db2.gz NCMAKTIFPPDNJJ-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH+]1CCN(c2ccncc2)CC1 ZINC001258789032 807613850 /nfs/dbraw/zinc/61/38/50/807613850.db2.gz UYNVNMVXDCDKRI-HOTGVXAUSA-N 1 3 275.440 3.418 20 0 CGADHO CCCN1C[C@H]2C[NH+](C3CCC(C(C)C)CC3)C[C@@H]2C1 ZINC001258805883 807626068 /nfs/dbraw/zinc/62/60/68/807626068.db2.gz AGEZEOLIBHJTRQ-SAGYGOJTSA-N 1 3 278.484 3.475 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001258907141 807672886 /nfs/dbraw/zinc/67/28/86/807672886.db2.gz GMWCYDVUQFNDLO-GVDBMIGSSA-N 1 3 294.483 3.331 20 0 CGADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1CCCNC1 ZINC001261836581 807793155 /nfs/dbraw/zinc/79/31/55/807793155.db2.gz GZOACQSYZJZZBD-YOEHRIQHSA-N 1 3 290.426 3.393 20 0 CGADHO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCCNC1 ZINC001261836581 807793159 /nfs/dbraw/zinc/79/31/59/807793159.db2.gz GZOACQSYZJZZBD-YOEHRIQHSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720283 807883853 /nfs/dbraw/zinc/88/38/53/807883853.db2.gz KDZKRTHVXBAPTJ-YHUYYLMFSA-N 1 3 264.457 3.275 20 0 CGADHO CN(CCC[NH+](C)C)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171032614 807966819 /nfs/dbraw/zinc/96/68/19/807966819.db2.gz HBXJXYWEZADIND-CQSZACIVSA-N 1 3 280.843 3.081 20 0 CGADHO CCCOCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623046 808106803 /nfs/dbraw/zinc/10/68/03/808106803.db2.gz ILDLICYSQZVILC-UHFFFAOYSA-N 1 3 270.461 3.044 20 0 CGADHO COC1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171623146 808106882 /nfs/dbraw/zinc/10/68/82/808106882.db2.gz LXFWZABDIYAHMT-UHFFFAOYSA-N 1 3 282.472 3.185 20 0 CGADHO Cc1ccnc(CCNC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171622906 808106922 /nfs/dbraw/zinc/10/69/22/808106922.db2.gz CIOTXSMSVAMVPB-UHFFFAOYSA-N 1 3 289.467 3.174 20 0 CGADHO CCC1([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCOCC1 ZINC001171631026 808107609 /nfs/dbraw/zinc/10/76/09/808107609.db2.gz UNORITGVSOULEP-UHFFFAOYSA-N 1 3 282.472 3.187 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@H]2C2CC2)CC1(C)C ZINC001171628660 808107818 /nfs/dbraw/zinc/10/78/18/808107818.db2.gz FKECERDMETWVQW-KBPBESRZSA-N 1 3 250.430 3.026 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@](C)(F)C2)CC1(C)C ZINC001171631381 808108245 /nfs/dbraw/zinc/10/82/45/808108245.db2.gz HUGGLKBJMCXSTG-INIZCTEOSA-N 1 3 270.436 3.462 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@](C)(F)C2)CC1(C)C ZINC001171631381 808108249 /nfs/dbraw/zinc/10/82/49/808108249.db2.gz HUGGLKBJMCXSTG-INIZCTEOSA-N 1 3 270.436 3.462 20 0 CGADHO COC1(C)CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171632180 808109088 /nfs/dbraw/zinc/10/90/88/808109088.db2.gz WFLKKGFQGMYNKP-UHFFFAOYSA-N 1 3 282.472 3.139 20 0 CGADHO CCCO[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638149 808109162 /nfs/dbraw/zinc/10/91/62/808109162.db2.gz UJDPBQXWCHECGP-OAHLLOKOSA-N 1 3 282.472 3.139 20 0 CGADHO CCCO[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638149 808109165 /nfs/dbraw/zinc/10/91/65/808109165.db2.gz UJDPBQXWCHECGP-OAHLLOKOSA-N 1 3 282.472 3.139 20 0 CGADHO CCCC[N@H+](C)CCCN[C@@H]1Cc2cccc(F)c2C1 ZINC001171774748 808135492 /nfs/dbraw/zinc/13/54/92/808135492.db2.gz DEBFCRIWOMLYFB-OAHLLOKOSA-N 1 3 278.415 3.005 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@@H]1Cc2cccc(F)c2C1 ZINC001171774748 808135495 /nfs/dbraw/zinc/13/54/95/808135495.db2.gz DEBFCRIWOMLYFB-OAHLLOKOSA-N 1 3 278.415 3.005 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1F ZINC001172100581 808171716 /nfs/dbraw/zinc/17/17/16/808171716.db2.gz FNAPKJKFRZZSDC-APIJFGDWSA-N 1 3 276.399 3.492 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172099991 808172073 /nfs/dbraw/zinc/17/20/73/808172073.db2.gz OAECTNXDJPCDGC-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172099991 808172076 /nfs/dbraw/zinc/17/20/76/808172076.db2.gz OAECTNXDJPCDGC-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nccc3ccccc31)C2 ZINC001172104362 808174001 /nfs/dbraw/zinc/17/40/01/808174001.db2.gz FCFIGSVTFVPERH-OSYLJGHBSA-N 1 3 295.430 3.340 20 0 CGADHO COc1cccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102818 808174233 /nfs/dbraw/zinc/17/42/33/808174233.db2.gz PDOZUUSZWOFLSB-DZUCGIPZSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H](C)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102818 808174234 /nfs/dbraw/zinc/17/42/34/808174234.db2.gz PDOZUUSZWOFLSB-DZUCGIPZSA-N 1 3 288.435 3.361 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C3CCCC1CCC3)C2 ZINC001172127001 808185092 /nfs/dbraw/zinc/18/50/92/808185092.db2.gz FQBPEIWDHPPHAN-BOXKHOIUSA-N 1 3 262.441 3.409 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172334736 808237299 /nfs/dbraw/zinc/23/72/99/808237299.db2.gz IICOEALCEMXVGZ-CABCVRRESA-N 1 3 282.472 3.174 20 0 CGADHO CCOCC[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172422302 808303435 /nfs/dbraw/zinc/30/34/35/808303435.db2.gz DYDVHIHWUKBWQH-IRXDYDNUSA-N 1 3 294.483 3.212 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)CCOCC(C)C ZINC001172456633 808327335 /nfs/dbraw/zinc/32/73/35/808327335.db2.gz GTPAOUOQKAOSTG-INIZCTEOSA-N 1 3 272.477 3.149 20 0 CGADHO CC(C)COCC[C@@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001172467580 808336969 /nfs/dbraw/zinc/33/69/69/808336969.db2.gz LWIYEGVTGFMEFY-MRXNPFEDSA-N 1 3 296.499 3.421 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172651436 808408814 /nfs/dbraw/zinc/40/88/14/808408814.db2.gz BVSSHUQRFZCLBZ-HIFRSBDPSA-N 1 3 282.472 3.185 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172823921 808445976 /nfs/dbraw/zinc/44/59/76/808445976.db2.gz MRBKKUXBGBPUCV-SFHVURJKSA-N 1 3 274.452 3.174 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)CCCN(C)C ZINC001172849212 808461855 /nfs/dbraw/zinc/46/18/55/808461855.db2.gz KQKKVWCASNHENO-LBPRGKRZSA-N 1 3 286.822 3.294 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCCN(C)C ZINC001172849212 808461857 /nfs/dbraw/zinc/46/18/57/808461857.db2.gz KQKKVWCASNHENO-LBPRGKRZSA-N 1 3 286.822 3.294 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001173246146 808554064 /nfs/dbraw/zinc/55/40/64/808554064.db2.gz WEXMQNYLFFBHJB-YJBOKZPZSA-N 1 3 274.452 3.254 20 0 CGADHO CCc1ccc(C[C@H](C)[NH+]2CCC(N(C)C)CC2)cc1 ZINC001173253462 808560509 /nfs/dbraw/zinc/56/05/09/808560509.db2.gz ULCKSZYCBCSXTH-HNNXBMFYSA-N 1 3 274.452 3.206 20 0 CGADHO CC(C)(C)C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275050317 808900821 /nfs/dbraw/zinc/90/08/21/808900821.db2.gz CAPCFSBVNSOMCZ-IYBDPMFKSA-N 1 3 289.467 3.205 20 0 CGADHO CC(C)(C)C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275050317 808900824 /nfs/dbraw/zinc/90/08/24/808900824.db2.gz CAPCFSBVNSOMCZ-IYBDPMFKSA-N 1 3 289.467 3.205 20 0 CGADHO CC(C)(C)c1cc(Nc2cc[nH+]c3c2CCC3)ccn1 ZINC001213162753 815247655 /nfs/dbraw/zinc/24/76/55/815247655.db2.gz KYSIIBMUYQHWBX-UHFFFAOYSA-N 1 3 267.376 3.428 20 0 CGADHO c1cc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)ccn1 ZINC001275887900 808974551 /nfs/dbraw/zinc/97/45/51/808974551.db2.gz BQLSMQMLVYVSIV-UHFFFAOYSA-N 1 3 299.462 3.312 20 0 CGADHO c1cc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)ccn1 ZINC001275887900 808974554 /nfs/dbraw/zinc/97/45/54/808974554.db2.gz BQLSMQMLVYVSIV-UHFFFAOYSA-N 1 3 299.462 3.312 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc(C)c3C)(C1)CCC2 ZINC001276228572 808994796 /nfs/dbraw/zinc/99/47/96/808994796.db2.gz YZIRHGROXFLAQQ-ZWKOTPCHSA-N 1 3 272.436 3.458 20 0 CGADHO CCCC[N@H+](C[C@@H](O)C(C)C)C1CC(C)(C)NC(C)(C)C1 ZINC001174984491 809227054 /nfs/dbraw/zinc/22/70/54/809227054.db2.gz QNRDWYGNVAWOPU-MRXNPFEDSA-N 1 3 298.515 3.415 20 0 CGADHO CCCC[N@@H+](C[C@@H](O)C(C)C)C1CC(C)(C)NC(C)(C)C1 ZINC001174984491 809227058 /nfs/dbraw/zinc/22/70/58/809227058.db2.gz QNRDWYGNVAWOPU-MRXNPFEDSA-N 1 3 298.515 3.415 20 0 CGADHO C[C@H]1CCCC[C@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC001175399352 809391805 /nfs/dbraw/zinc/39/18/05/809391805.db2.gz KNMPGJUKZNUHKI-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CN(C)[C@@H]1CCOc2c(Nc3ccc(C[NH3+])cc3)cccc21 ZINC001175970476 809586242 /nfs/dbraw/zinc/58/62/42/809586242.db2.gz DAAAFEHMRDQCNZ-QGZVFWFLSA-N 1 3 297.402 3.274 20 0 CGADHO Cn1c(C[NH2+]CCCN2CCCCC2)cc2ccccc21 ZINC001177132639 809781993 /nfs/dbraw/zinc/78/19/93/809781993.db2.gz JRLZRGPBFSRSBZ-UHFFFAOYSA-N 1 3 285.435 3.144 20 0 CGADHO CC[NH+](CC)CCOCCNCc1ccc(C)cc1Cl ZINC001178445171 809867278 /nfs/dbraw/zinc/86/72/78/809867278.db2.gz RGIHEMGUKIMMRQ-UHFFFAOYSA-N 1 3 298.858 3.096 20 0 CGADHO CCSc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1 ZINC001179815166 809947491 /nfs/dbraw/zinc/94/74/91/809947491.db2.gz DZNYSYABVBVZKI-HYVNUMGLSA-N 1 3 290.476 3.228 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CC1(C)C ZINC001183918975 810169664 /nfs/dbraw/zinc/16/96/64/810169664.db2.gz DPXPMWOWMQRNID-IXDOHACOSA-N 1 3 289.467 3.489 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001197931709 811464545 /nfs/dbraw/zinc/46/45/45/811464545.db2.gz ZETDWUULTLUTRE-HUUCEWRRSA-N 1 3 261.413 3.027 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001197931709 811464551 /nfs/dbraw/zinc/46/45/51/811464551.db2.gz ZETDWUULTLUTRE-HUUCEWRRSA-N 1 3 261.413 3.027 20 0 CGADHO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201515477 811879038 /nfs/dbraw/zinc/87/90/38/811879038.db2.gz NJWGTHJBQICVAX-HRCADAONSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201515477 811879043 /nfs/dbraw/zinc/87/90/43/811879043.db2.gz NJWGTHJBQICVAX-HRCADAONSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC001201558202 811902712 /nfs/dbraw/zinc/90/27/12/811902712.db2.gz QXXOIMAXTGXHRO-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO CCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717252 811945658 /nfs/dbraw/zinc/94/56/58/811945658.db2.gz IPSQGVJEGRFBFL-MSOLQXFVSA-N 1 3 272.436 3.240 20 0 CGADHO CCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717252 811945665 /nfs/dbraw/zinc/94/56/65/811945665.db2.gz IPSQGVJEGRFBFL-MSOLQXFVSA-N 1 3 272.436 3.240 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001203136496 812250740 /nfs/dbraw/zinc/25/07/40/812250740.db2.gz PSTDNFQMMLTXEG-OAHLLOKOSA-N 1 3 264.457 3.421 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001204292537 812602075 /nfs/dbraw/zinc/60/20/75/812602075.db2.gz FRYBSMUOLNULTQ-SFHVURJKSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001204292537 812602076 /nfs/dbraw/zinc/60/20/76/812602076.db2.gz FRYBSMUOLNULTQ-SFHVURJKSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1cc(CN2CCCC3(CC[NH2+]CC3)C2)c(F)cc1F ZINC001204743033 812724072 /nfs/dbraw/zinc/72/40/72/812724072.db2.gz XYIKHRAYWJGZQJ-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO Cc1cnc(-c2ccccc2)c(C[N@@H+]2[C@@H](C)CC[C@H]2CN)c1 ZINC001205088616 812854959 /nfs/dbraw/zinc/85/49/59/812854959.db2.gz QTYAXQDPJNRVSA-YJBOKZPZSA-N 1 3 295.430 3.369 20 0 CGADHO Cc1cnc(-c2ccccc2)c(C[N@H+]2[C@@H](C)CC[C@H]2CN)c1 ZINC001205088616 812854969 /nfs/dbraw/zinc/85/49/69/812854969.db2.gz QTYAXQDPJNRVSA-YJBOKZPZSA-N 1 3 295.430 3.369 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC001205303630 812942328 /nfs/dbraw/zinc/94/23/28/812942328.db2.gz IWZJAGMSTXQAKJ-ZBFHGGJFSA-N 1 3 274.452 3.401 20 0 CGADHO CO[C@H](CNCC[C@H](C)[NH+]1CCCCC1)C1CCCCC1 ZINC001205390544 812977324 /nfs/dbraw/zinc/97/73/24/812977324.db2.gz AASLZKYLMSPJCA-FUHWJXTLSA-N 1 3 296.499 3.436 20 0 CGADHO CO[C@H](C[NH2+]CC[C@H](C)N1CCCCC1)C1CCCCC1 ZINC001205390544 812977330 /nfs/dbraw/zinc/97/73/30/812977330.db2.gz AASLZKYLMSPJCA-FUHWJXTLSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]1CCN(Cc2cc(Cl)ccc2F)CC[C@@H]1C[NH3+] ZINC001205602223 813017254 /nfs/dbraw/zinc/01/72/54/813017254.db2.gz HTCKYODKOCDENL-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2nc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC001205615768 813027566 /nfs/dbraw/zinc/02/75/66/813027566.db2.gz AVROOVPSMKYBMQ-QWHCGFSZSA-N 1 3 289.448 3.103 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001205904159 813126369 /nfs/dbraw/zinc/12/63/69/813126369.db2.gz SKWTWFZLTMLOOT-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904159 813126372 /nfs/dbraw/zinc/12/63/72/813126372.db2.gz SKWTWFZLTMLOOT-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1CCCc1cccc(Cl)c1 ZINC001205904159 813126375 /nfs/dbraw/zinc/12/63/75/813126375.db2.gz SKWTWFZLTMLOOT-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO CCCCOc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904876 813128444 /nfs/dbraw/zinc/12/84/44/813128444.db2.gz XPISJZQCIPEBDQ-RDJZCZTQSA-N 1 3 290.451 3.425 20 0 CGADHO CC[NH+]1CCC(CN2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC001205930819 813138263 /nfs/dbraw/zinc/13/82/63/813138263.db2.gz CEANUSQIFRLTAP-QGZVFWFLSA-N 1 3 287.451 3.196 20 0 CGADHO CC(C)(C)c1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206164834 813220908 /nfs/dbraw/zinc/22/09/08/813220908.db2.gz LNTFAZRHCFHYBG-CVEARBPZSA-N 1 3 278.415 3.245 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206183196 813230997 /nfs/dbraw/zinc/23/09/97/813230997.db2.gz GCAUHYVJATWDQD-HZPDHXFCSA-N 1 3 264.388 3.071 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2cccc3c(F)cccc23)CC[C@H]1F ZINC001206199735 813236532 /nfs/dbraw/zinc/23/65/32/813236532.db2.gz PLZUDUCPKHVVDQ-IAGOWNOFSA-N 1 3 290.357 3.240 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2cccc3c(F)cccc23)CC[C@@H]1F ZINC001206199734 813236628 /nfs/dbraw/zinc/23/66/28/813236628.db2.gz PLZUDUCPKHVVDQ-DLBZAZTESA-N 1 3 290.357 3.240 20 0 CGADHO Cc1c(C)c(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1Cl ZINC001206214165 813244183 /nfs/dbraw/zinc/24/41/83/813244183.db2.gz XMJCAEJSJDMGML-LSDHHAIUSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1c(C)c(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)ccc1Cl ZINC001206214165 813244185 /nfs/dbraw/zinc/24/41/85/813244185.db2.gz XMJCAEJSJDMGML-LSDHHAIUSA-N 1 3 284.806 3.218 20 0 CGADHO C[C@@H]1CNCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001206276030 813267174 /nfs/dbraw/zinc/26/71/74/813267174.db2.gz ANUVKSKRGVKABZ-MRXNPFEDSA-N 1 3 280.415 3.395 20 0 CGADHO C[C@@H]1CNCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001206276030 813267181 /nfs/dbraw/zinc/26/71/81/813267181.db2.gz ANUVKSKRGVKABZ-MRXNPFEDSA-N 1 3 280.415 3.395 20 0 CGADHO C[C@]1(F)CCCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206405607 813315417 /nfs/dbraw/zinc/31/54/17/813315417.db2.gz QQUOJXBHYYYBDD-KRWDZBQOSA-N 1 3 276.399 3.046 20 0 CGADHO Cn1ccc2ccc(CN3CCCC[C@](C)(C[NH3+])C3)cc21 ZINC001206550115 813348509 /nfs/dbraw/zinc/34/85/09/813348509.db2.gz VKNGRSYUCSKABW-GOSISDBHSA-N 1 3 285.435 3.129 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1ccc(C)cc1OC ZINC001206782662 813435856 /nfs/dbraw/zinc/43/58/56/813435856.db2.gz DLOSSGZVCVVNMA-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(C)cc1OC ZINC001206782662 813435861 /nfs/dbraw/zinc/43/58/61/813435861.db2.gz DLOSSGZVCVVNMA-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001207283254 813533909 /nfs/dbraw/zinc/53/39/09/813533909.db2.gz VVPUSWPITKBKNR-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001207283254 813533912 /nfs/dbraw/zinc/53/39/12/813533912.db2.gz VVPUSWPITKBKNR-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CC[C@H](c2ccc(F)cc2)C1 ZINC001207282617 813534392 /nfs/dbraw/zinc/53/43/92/813534392.db2.gz MCYMWCLALAVXPK-HNNXBMFYSA-N 1 3 278.415 3.203 20 0 CGADHO CC1=C[C@H](C)[C@H](C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001208167077 813721152 /nfs/dbraw/zinc/72/11/52/813721152.db2.gz ZETCNQBCOGXRDO-IRXDYDNUSA-N 1 3 285.435 3.196 20 0 CGADHO Cc1ccc2c(c1)CC[N@@H+](CC1(CN(C)C)CCCC1)C2 ZINC001208189059 813737975 /nfs/dbraw/zinc/73/79/75/813737975.db2.gz QODGWIBURJCBPP-UHFFFAOYSA-N 1 3 286.463 3.475 20 0 CGADHO Cc1ccc2c(c1)CC[N@H+](CC1(CN(C)C)CCCC1)C2 ZINC001208189059 813737979 /nfs/dbraw/zinc/73/79/79/813737979.db2.gz QODGWIBURJCBPP-UHFFFAOYSA-N 1 3 286.463 3.475 20 0 CGADHO C[C@H]1C[C@H]1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209422853 814024314 /nfs/dbraw/zinc/02/43/14/814024314.db2.gz YUINEPFXBXHUJL-YJBOKZPZSA-N 1 3 284.447 3.165 20 0 CGADHO C[C@H]1C[C@H]1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422853 814024320 /nfs/dbraw/zinc/02/43/20/814024320.db2.gz YUINEPFXBXHUJL-YJBOKZPZSA-N 1 3 284.447 3.165 20 0 CGADHO c1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c2cccccc1-2 ZINC001222154424 816362435 /nfs/dbraw/zinc/36/24/35/816362435.db2.gz LODQRUKKEJBIDF-LJQANCHMSA-N 1 3 280.415 3.367 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222616033 816478749 /nfs/dbraw/zinc/47/87/49/816478749.db2.gz VZTMYBJZIFWQEM-ZBHMHGNTSA-N 1 3 288.479 3.277 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222616033 816478751 /nfs/dbraw/zinc/47/87/51/816478751.db2.gz VZTMYBJZIFWQEM-ZBHMHGNTSA-N 1 3 288.479 3.277 20 0 CGADHO C[N@H+](CCc1cccs1)Cc1cc2cnccc2[nH]1 ZINC001232014244 818232042 /nfs/dbraw/zinc/23/20/42/818232042.db2.gz LYYIRPZXVKPAFN-UHFFFAOYSA-N 1 3 271.389 3.299 20 0 CGADHO C[N@@H+](CCc1cccs1)Cc1cc2cnccc2[nH]1 ZINC001232014244 818232047 /nfs/dbraw/zinc/23/20/47/818232047.db2.gz LYYIRPZXVKPAFN-UHFFFAOYSA-N 1 3 271.389 3.299 20 0 CGADHO c1c2cnccc2[nH]c1C[N@@H+]1CCCC2(CCC2)C1 ZINC001232015079 818232297 /nfs/dbraw/zinc/23/22/97/818232297.db2.gz AFGGPOWWGHKXAT-UHFFFAOYSA-N 1 3 255.365 3.329 20 0 CGADHO c1c2cnccc2[nH]c1C[N@H+]1CCCC2(CCC2)C1 ZINC001232015079 818232303 /nfs/dbraw/zinc/23/23/03/818232303.db2.gz AFGGPOWWGHKXAT-UHFFFAOYSA-N 1 3 255.365 3.329 20 0 CGADHO c1c2c[nH]ccc-2nc1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001232015027 818234077 /nfs/dbraw/zinc/23/40/77/818234077.db2.gz ZVELZIDWSLKGRE-KRWDZBQOSA-N 1 3 298.434 3.013 20 0 CGADHO c1c2cnccc2[nH]c1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001232015027 818234085 /nfs/dbraw/zinc/23/40/85/818234085.db2.gz ZVELZIDWSLKGRE-KRWDZBQOSA-N 1 3 298.434 3.013 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc3ncsc3c2)CC1 ZINC001232742513 818430157 /nfs/dbraw/zinc/43/01/57/818430157.db2.gz XSQJQKXFEASCJR-UHFFFAOYSA-N 1 3 289.448 3.070 20 0 CGADHO NCC12CC(C1)C[N@@H+]2Cc1ccccc1-c1ccc(F)cc1 ZINC001235004973 818976208 /nfs/dbraw/zinc/97/62/08/818976208.db2.gz CZTXHOROVRVUCC-UHFFFAOYSA-N 1 3 296.389 3.416 20 0 CGADHO NCC12CC(C1)C[N@H+]2Cc1ccccc1-c1ccc(F)cc1 ZINC001235004973 818976213 /nfs/dbraw/zinc/97/62/13/818976213.db2.gz CZTXHOROVRVUCC-UHFFFAOYSA-N 1 3 296.389 3.416 20 0 CGADHO Cc1cc(CN2CCC[C@]3(CCC[NH2+]3)CC2)sc1C ZINC001235041263 818988485 /nfs/dbraw/zinc/98/84/85/818988485.db2.gz YGYVMOGTFKTDCK-MRXNPFEDSA-N 1 3 278.465 3.473 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCCC23CCNCC3)CC1 ZINC001235140799 819014776 /nfs/dbraw/zinc/01/47/76/819014776.db2.gz NWKMUBQJWATQHV-JKSUJKDBSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC23CCNCC3)CC1 ZINC001235140799 819014782 /nfs/dbraw/zinc/01/47/82/819014782.db2.gz NWKMUBQJWATQHV-JKSUJKDBSA-N 1 3 262.441 3.197 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209305 819037860 /nfs/dbraw/zinc/03/78/60/819037860.db2.gz LWCBBOGIAUZVMC-ZACQAIPSSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209305 819037863 /nfs/dbraw/zinc/03/78/63/819037863.db2.gz LWCBBOGIAUZVMC-ZACQAIPSSA-N 1 3 264.457 3.443 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3ccccc31)C2 ZINC001235241446 819046635 /nfs/dbraw/zinc/04/66/35/819046635.db2.gz VGFDZEHMYCBKCM-SJLPKXTDSA-N 1 3 266.388 3.153 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235241446 819046640 /nfs/dbraw/zinc/04/66/40/819046640.db2.gz VGFDZEHMYCBKCM-SJLPKXTDSA-N 1 3 266.388 3.153 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@H+](CC2CCC2)CC3)cc1 ZINC001235362808 819079637 /nfs/dbraw/zinc/07/96/37/819079637.db2.gz NVKCPVORPRLNPT-OALUTQOASA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362808 819079642 /nfs/dbraw/zinc/07/96/42/819079642.db2.gz NVKCPVORPRLNPT-OALUTQOASA-N 1 3 284.447 3.040 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@H](CF)[C@@H](C3(N)CC3)C2)C1(C)C ZINC001235394208 819083683 /nfs/dbraw/zinc/08/36/83/819083683.db2.gz CHEGMMPMZJEQKO-XHSDSOJGSA-N 1 3 294.458 3.378 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@H](CF)[C@@H](C3(N)CC3)C2)C1(C)C ZINC001235394208 819083684 /nfs/dbraw/zinc/08/36/84/819083684.db2.gz CHEGMMPMZJEQKO-XHSDSOJGSA-N 1 3 294.458 3.378 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235406895 819088019 /nfs/dbraw/zinc/08/80/19/819088019.db2.gz RITROZPYWVXYRQ-QZTJIDSGSA-N 1 3 288.410 3.088 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406895 819088022 /nfs/dbraw/zinc/08/80/22/819088022.db2.gz RITROZPYWVXYRQ-QZTJIDSGSA-N 1 3 288.410 3.088 20 0 CGADHO [NH3+]C[C@@H]1CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001235675120 819134930 /nfs/dbraw/zinc/13/49/30/819134930.db2.gz JCGHQGUESFMZAF-INIZCTEOSA-N 1 3 292.426 3.429 20 0 CGADHO Cc1ccc(Cl)c(CN(C)CCC2CC[NH2+]CC2)c1 ZINC001235717420 819150804 /nfs/dbraw/zinc/15/08/04/819150804.db2.gz FKHSWSCOZWBVST-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1nc(F)ccc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001235814429 819174588 /nfs/dbraw/zinc/17/45/88/819174588.db2.gz FAJOBZMGZVJIKC-UHFFFAOYSA-N 1 3 293.430 3.081 20 0 CGADHO CN(Cc1ccccc1-c1cccs1)C[C@H]1CC[NH2+]C1 ZINC001235841739 819183192 /nfs/dbraw/zinc/18/31/92/819183192.db2.gz ILPHAXYJXLAIFE-AWEZNQCLSA-N 1 3 286.444 3.456 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1Cc1ccc(-c2ccccc2)o1 ZINC001235925944 819224330 /nfs/dbraw/zinc/22/43/30/819224330.db2.gz SUSUMDFBIPKZSP-HNNXBMFYSA-N 1 3 270.376 3.260 20 0 CGADHO COc1ccc2sc(CN3CCC[C@H]3CC[NH3+])cc2c1 ZINC001235925311 819224722 /nfs/dbraw/zinc/22/47/22/819224722.db2.gz HDFIWDQZZUPKJP-ZDUSSCGKSA-N 1 3 290.432 3.223 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCC[C@H]2CCN)C1(C)C ZINC001235925261 819224766 /nfs/dbraw/zinc/22/47/66/819224766.db2.gz NUMWYZCEGBOSBQ-GJZGRUSLSA-N 1 3 250.430 3.182 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCC[C@H]2CCN)C1(C)C ZINC001235925261 819224771 /nfs/dbraw/zinc/22/47/71/819224771.db2.gz NUMWYZCEGBOSBQ-GJZGRUSLSA-N 1 3 250.430 3.182 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939855 819233695 /nfs/dbraw/zinc/23/36/95/819233695.db2.gz QNDNELICCLFTQX-ZIAGYGMSSA-N 1 3 298.352 3.055 20 0 CGADHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(C3CCC3)cc1)C2 ZINC001235958740 819246436 /nfs/dbraw/zinc/24/64/36/819246436.db2.gz COZBGACVVQAGQF-BCDXTJNWSA-N 1 3 270.420 3.123 20 0 CGADHO F[C@H]1CCC2(C1)CC[NH+](Cc1ccc3c(c1)CNC3)CC2 ZINC001235985412 819260474 /nfs/dbraw/zinc/26/04/74/819260474.db2.gz KNXVMKQNSIXVDA-KRWDZBQOSA-N 1 3 288.410 3.394 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1N ZINC001236093342 819312406 /nfs/dbraw/zinc/31/24/06/819312406.db2.gz LDBCRKHUQCSHDZ-ACJLOTCBSA-N 1 3 284.378 3.272 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1N ZINC001236093342 819312413 /nfs/dbraw/zinc/31/24/13/819312413.db2.gz LDBCRKHUQCSHDZ-ACJLOTCBSA-N 1 3 284.378 3.272 20 0 CGADHO Cc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236210562 819372612 /nfs/dbraw/zinc/37/26/12/819372612.db2.gz DKVJJRXFSCVGDW-HOTGVXAUSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236210562 819372617 /nfs/dbraw/zinc/37/26/17/819372617.db2.gz DKVJJRXFSCVGDW-HOTGVXAUSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cc(C)c(C[N@@H+](C)C2(C)CCNCC2)c(C)c1 ZINC001236221138 819388035 /nfs/dbraw/zinc/38/80/35/819388035.db2.gz AUHOWOAGTRURHN-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO Cc1cc(C)c(C[N@H+](C)C2(C)CCNCC2)c(C)c1 ZINC001236221138 819388042 /nfs/dbraw/zinc/38/80/42/819388042.db2.gz AUHOWOAGTRURHN-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO Cc1cc(C)c(CN(C)C2(C)CC[NH2+]CC2)c(C)c1 ZINC001236221138 819388045 /nfs/dbraw/zinc/38/80/45/819388045.db2.gz AUHOWOAGTRURHN-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO COc1ccc2cc(CN(C)C3(C)CC[NH2+]CC3)ccc2c1 ZINC001236221303 819388128 /nfs/dbraw/zinc/38/81/28/819388128.db2.gz CDKDQYDMMUQMPL-UHFFFAOYSA-N 1 3 298.430 3.422 20 0 CGADHO COc1ccc2cc(C[N@H+](C)C3(C)CCNCC3)ccc2c1 ZINC001236221303 819388132 /nfs/dbraw/zinc/38/81/32/819388132.db2.gz CDKDQYDMMUQMPL-UHFFFAOYSA-N 1 3 298.430 3.422 20 0 CGADHO COc1ccc2cc(C[N@@H+](C)C3(C)CCNCC3)ccc2c1 ZINC001236221303 819388135 /nfs/dbraw/zinc/38/81/35/819388135.db2.gz CDKDQYDMMUQMPL-UHFFFAOYSA-N 1 3 298.430 3.422 20 0 CGADHO CC(C)(C)C[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236285203 819412742 /nfs/dbraw/zinc/41/27/42/819412742.db2.gz CJXVNELQJTZVAC-UHFFFAOYSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)(C)C[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236285203 819412746 /nfs/dbraw/zinc/41/27/46/819412746.db2.gz CJXVNELQJTZVAC-UHFFFAOYSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@H](C)C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236370367 819439153 /nfs/dbraw/zinc/43/91/53/819439153.db2.gz DRIIPMBVPMOMDP-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](C)C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236370367 819439156 /nfs/dbraw/zinc/43/91/56/819439156.db2.gz DRIIPMBVPMOMDP-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001236444191 819481585 /nfs/dbraw/zinc/48/15/85/819481585.db2.gz XKACSTFKRXQIAW-INIZCTEOSA-N 1 3 258.409 3.041 20 0 CGADHO Cc1cc(F)cc(CN(C[C@H]2C[C@@H]2C)C2CC[NH2+]CC2)c1 ZINC001236481553 819497166 /nfs/dbraw/zinc/49/71/66/819497166.db2.gz WYTOHIFBYDQCGB-GOEBONIOSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@@H+](C[C@H]2C[C@@H]2C)C2CCNCC2)c1 ZINC001236481553 819497171 /nfs/dbraw/zinc/49/71/71/819497171.db2.gz WYTOHIFBYDQCGB-GOEBONIOSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@H+](C[C@H]2C[C@@H]2C)C2CCNCC2)c1 ZINC001236481553 819497176 /nfs/dbraw/zinc/49/71/76/819497176.db2.gz WYTOHIFBYDQCGB-GOEBONIOSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1CN(C[C@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236510086 819507928 /nfs/dbraw/zinc/50/79/28/819507928.db2.gz YDQXVFSYFKMUTR-HUUCEWRRSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](C[C@H]1C[C@H]1C)C1CCNCC1 ZINC001236510086 819507935 /nfs/dbraw/zinc/50/79/35/819507935.db2.gz YDQXVFSYFKMUTR-HUUCEWRRSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](C[C@H]1C[C@H]1C)C1CCNCC1 ZINC001236510086 819507940 /nfs/dbraw/zinc/50/79/40/819507940.db2.gz YDQXVFSYFKMUTR-HUUCEWRRSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cccc(CN(CC2(F)CC[NH2+]CC2)C2CC2)c1C ZINC001236533893 819526174 /nfs/dbraw/zinc/52/61/74/819526174.db2.gz CZEVEEIXVFKVPA-UHFFFAOYSA-N 1 3 290.426 3.360 20 0 CGADHO Cc1cc(F)ccc1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236636216 819556594 /nfs/dbraw/zinc/55/65/94/819556594.db2.gz BHRUFASJVHTXLJ-UHFFFAOYSA-N 1 3 276.399 3.241 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236636216 819556597 /nfs/dbraw/zinc/55/65/97/819556597.db2.gz BHRUFASJVHTXLJ-UHFFFAOYSA-N 1 3 276.399 3.241 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236636216 819556602 /nfs/dbraw/zinc/55/66/02/819556602.db2.gz BHRUFASJVHTXLJ-UHFFFAOYSA-N 1 3 276.399 3.241 20 0 CGADHO CCCN(CCc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001236832338 819611718 /nfs/dbraw/zinc/61/17/18/819611718.db2.gz UTSSYVKUMRLLHZ-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCCN(Cc1ccc(Cl)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236834797 819614427 /nfs/dbraw/zinc/61/44/27/819614427.db2.gz IFUKVNVWDBLZOL-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO CCCCCN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275088 819713572 /nfs/dbraw/zinc/71/35/72/819713572.db2.gz KBOWXRPBYRXYBW-UHFFFAOYSA-N 1 3 272.436 3.314 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237527111 819772795 /nfs/dbraw/zinc/77/27/95/819772795.db2.gz VZUXVDOGGLWSCH-HOTGVXAUSA-N 1 3 298.405 3.362 20 0 CGADHO CCc1ncc(CN(C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001237826065 819852402 /nfs/dbraw/zinc/85/24/02/819852402.db2.gz NRVSUTPLXXQZFT-UHFFFAOYSA-N 1 3 295.496 3.258 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238501578 820030134 /nfs/dbraw/zinc/03/01/34/820030134.db2.gz OZSWHUZTAHMVNL-UHFFFAOYSA-N 1 3 290.426 3.477 20 0 CGADHO CSc1cc(C)cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC001238682823 820082288 /nfs/dbraw/zinc/08/22/88/820082288.db2.gz PHPONOONTLUORL-QGZVFWFLSA-N 1 3 290.476 3.245 20 0 CGADHO CSc1cc(C)cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC001238682823 820082299 /nfs/dbraw/zinc/08/22/99/820082299.db2.gz PHPONOONTLUORL-QGZVFWFLSA-N 1 3 290.476 3.245 20 0 CGADHO CN1CCCC[C@@H]1c1ccc(C2=CCC[NH2+]CC2)nc1 ZINC001238941395 820162445 /nfs/dbraw/zinc/16/24/45/820162445.db2.gz ZCNAXBJXYWPECQ-QGZVFWFLSA-N 1 3 271.408 3.005 20 0 CGADHO CC(C)C1=NCCc2ccc(C3=CCC[NH2+]CC3)cc21 ZINC001238947489 820164668 /nfs/dbraw/zinc/16/46/68/820164668.db2.gz YNVCVNIAVPHHPR-UHFFFAOYSA-N 1 3 268.404 3.455 20 0 CGADHO CC(C)(C)c1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001239606486 820453491 /nfs/dbraw/zinc/45/34/91/820453491.db2.gz RJKGCRBAZPYMHB-UHFFFAOYSA-N 1 3 295.430 3.456 20 0 CGADHO COc1ccc(-c2ccccc2C[NH+](C)C)cc1CN(C)C ZINC001239682955 820519205 /nfs/dbraw/zinc/51/92/05/820519205.db2.gz FRBTXJRKXKXDBH-UHFFFAOYSA-N 1 3 298.430 3.485 20 0 CGADHO COc1ccc(C2=CCC[NH2+]C2)cc1CN1CCCCC1 ZINC001240670564 821231416 /nfs/dbraw/zinc/23/14/16/821231416.db2.gz IUDNOWOCABJIOO-UHFFFAOYSA-N 1 3 286.419 3.058 20 0 CGADHO CN1CCC=C(c2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001241569539 821954401 /nfs/dbraw/zinc/95/44/01/821954401.db2.gz FOZAYJKSNXPGGP-UHFFFAOYSA-N 1 3 280.415 3.054 20 0 CGADHO CC[NH+](CC)Cc1cccc(C2=CCCN(C)C2)c1 ZINC001241572028 821958310 /nfs/dbraw/zinc/95/83/10/821958310.db2.gz NOJDYOMELRZDSW-UHFFFAOYSA-N 1 3 258.409 3.247 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC001343904701 936518148 /nfs/dbraw/zinc/51/81/48/936518148.db2.gz GRBQMWUIOVGCIG-UKRRQHHQSA-N 1 3 264.413 3.279 20 0 CGADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC2(C1)CCCCCC2 ZINC001307506393 927307223 /nfs/dbraw/zinc/30/72/23/927307223.db2.gz NGBAGXBPOSMHSD-QGZVFWFLSA-N 1 3 296.499 3.124 20 0 CGADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCC2(C1)CCCCCC2 ZINC001307506393 927307239 /nfs/dbraw/zinc/30/72/39/927307239.db2.gz NGBAGXBPOSMHSD-QGZVFWFLSA-N 1 3 296.499 3.124 20 0 CGADHO CCCCN(C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614505 937494294 /nfs/dbraw/zinc/49/42/94/937494294.db2.gz OSYZRBFDELIESG-WMZOPIPTSA-N 1 3 292.467 3.162 20 0 CGADHO CCCCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614505 937494295 /nfs/dbraw/zinc/49/42/95/937494295.db2.gz OSYZRBFDELIESG-WMZOPIPTSA-N 1 3 292.467 3.162 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891170 932690912 /nfs/dbraw/zinc/69/09/12/932690912.db2.gz CTKKZRAOAGHNDA-SHPPOPEUSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891170 932690916 /nfs/dbraw/zinc/69/09/16/932690916.db2.gz CTKKZRAOAGHNDA-SHPPOPEUSA-N 1 3 278.827 3.255 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC001462202377 937624664 /nfs/dbraw/zinc/62/46/64/937624664.db2.gz NEBXJKRYJPXINY-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC001462202377 937624665 /nfs/dbraw/zinc/62/46/65/937624665.db2.gz NEBXJKRYJPXINY-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO OC1(C[NH+]2CCC(N3CCCCC3)CC2)CCCCCC1 ZINC001307417962 932949931 /nfs/dbraw/zinc/94/99/31/932949931.db2.gz DOSZMPZGRUFZRG-UHFFFAOYSA-N 1 3 294.483 3.022 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748931 933169874 /nfs/dbraw/zinc/16/98/74/933169874.db2.gz XRAQPAUKYLZDFG-UXHICEINSA-N 1 3 298.474 3.482 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748931 933169877 /nfs/dbraw/zinc/16/98/77/933169877.db2.gz XRAQPAUKYLZDFG-UXHICEINSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748931 933169881 /nfs/dbraw/zinc/16/98/81/933169881.db2.gz XRAQPAUKYLZDFG-UXHICEINSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748931 933169887 /nfs/dbraw/zinc/16/98/87/933169887.db2.gz XRAQPAUKYLZDFG-UXHICEINSA-N 1 3 298.474 3.482 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC001308882543 933196135 /nfs/dbraw/zinc/19/61/35/933196135.db2.gz JAFWYXCAZMZUCD-KGLIPLIRSA-N 1 3 280.481 3.269 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294237 933853708 /nfs/dbraw/zinc/85/37/08/933853708.db2.gz PPKINIWNRAJTTA-JEBQAFNWSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294237 933853713 /nfs/dbraw/zinc/85/37/13/933853713.db2.gz PPKINIWNRAJTTA-JEBQAFNWSA-N 1 3 288.410 3.229 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455484 933878957 /nfs/dbraw/zinc/87/89/57/933878957.db2.gz WBGOWYIGVIIBGY-PXAZEXFGSA-N 1 3 294.389 3.274 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2(C)CC2)CC1 ZINC001320094804 933999512 /nfs/dbraw/zinc/99/95/12/933999512.db2.gz MSHFJXKALZRHHN-DZGCQCFKSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2(C)CC2)CC1 ZINC001320094804 933999518 /nfs/dbraw/zinc/99/95/18/933999518.db2.gz MSHFJXKALZRHHN-DZGCQCFKSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001474435273 937859534 /nfs/dbraw/zinc/85/95/34/937859534.db2.gz CZTDTXCIOFKCLL-LTIDMASMSA-N 1 3 294.483 3.044 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC001474759996 937879554 /nfs/dbraw/zinc/87/95/54/937879554.db2.gz YYSURZBNFAJMTA-JYJNAYRXSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3ccc(F)cc3)C1)[NH2+]2 ZINC001550473958 938166809 /nfs/dbraw/zinc/16/68/09/938166809.db2.gz XHGZAMUEMATOBD-YMCRMQOVSA-N 1 3 288.410 3.190 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CN(C)CC[C@@H]2C1 ZINC001550540795 938167546 /nfs/dbraw/zinc/16/75/46/938167546.db2.gz LDARGUOFYMNUMT-BRWVUGGUSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C)CC[C@@H]2C1 ZINC001550540795 938167547 /nfs/dbraw/zinc/16/75/47/938167547.db2.gz LDARGUOFYMNUMT-BRWVUGGUSA-N 1 3 258.409 3.021 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539600 938167717 /nfs/dbraw/zinc/16/77/17/938167717.db2.gz DKXKSWDJGTYIRV-ZIAGYGMSSA-N 1 3 298.352 3.089 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539600 938167718 /nfs/dbraw/zinc/16/77/18/938167718.db2.gz DKXKSWDJGTYIRV-ZIAGYGMSSA-N 1 3 298.352 3.089 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001553025852 938195997 /nfs/dbraw/zinc/19/59/97/938195997.db2.gz JTEYJYOYUPHAGD-XJFOESAGSA-N 1 3 286.410 3.178 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001561053106 938292450 /nfs/dbraw/zinc/29/24/50/938292450.db2.gz SHYTXASVHDSVPX-ZSYWTGECSA-N 1 3 286.463 3.328 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](C(C)C)CC1 ZINC001257207822 960426482 /nfs/dbraw/zinc/42/64/82/960426482.db2.gz LZRIJDFPNCYRGG-SFHVURJKSA-N 1 3 272.436 3.445 20 0 CGADHO CC(C)[C@H](C[NH3+])CN1CCS[C@H](c2ccccc2)C1 ZINC001575423841 962371137 /nfs/dbraw/zinc/37/11/37/962371137.db2.gz YZWMRYPOVHIBMK-CVEARBPZSA-N 1 3 278.465 3.007 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC001575421936 962372667 /nfs/dbraw/zinc/37/26/67/962372667.db2.gz CZNYKSGMDGDKPS-ROUUACIJSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC001575421936 962372685 /nfs/dbraw/zinc/37/26/85/962372685.db2.gz CZNYKSGMDGDKPS-ROUUACIJSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001575422258 962382137 /nfs/dbraw/zinc/38/21/37/962382137.db2.gz GPONVFWBDXBARC-VNQPRFMTSA-N 1 3 278.415 3.234 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001575422258 962382159 /nfs/dbraw/zinc/38/21/59/962382159.db2.gz GPONVFWBDXBARC-VNQPRFMTSA-N 1 3 278.415 3.234 20 0 CGADHO CC(C)[C@@H]1[N@H+](C[C@]2(C)CCCNC2)CC12CCCC2 ZINC001575521899 962390211 /nfs/dbraw/zinc/39/02/11/962390211.db2.gz VSNHBRIDVMVNQO-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@@H]1[N@@H+](C[C@]2(C)CCCNC2)CC12CCCC2 ZINC001575521899 962390231 /nfs/dbraw/zinc/39/02/31/962390231.db2.gz VSNHBRIDVMVNQO-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCC(=O)OC(C)(C)C ZINC001575934393 962414847 /nfs/dbraw/zinc/41/48/47/962414847.db2.gz PMHXBGKMCOISON-GJZGRUSLSA-N 1 3 298.471 3.009 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001576104531 962437795 /nfs/dbraw/zinc/43/77/95/962437795.db2.gz ZZOLMBYMYLKNIG-RYUDHWBXSA-N 1 3 258.409 3.267 20 0 CGADHO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254554 962514984 /nfs/dbraw/zinc/51/49/84/962514984.db2.gz LVKLDSXJFNGGMJ-JSGCOSHPSA-N 1 3 279.428 3.269 20 0 CGADHO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254554 962514998 /nfs/dbraw/zinc/51/49/98/962514998.db2.gz LVKLDSXJFNGGMJ-JSGCOSHPSA-N 1 3 279.428 3.269 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087650 962560431 /nfs/dbraw/zinc/56/04/31/962560431.db2.gz PQJRWSQBWGKLFW-BZUAXINKSA-N 1 3 296.499 3.420 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087650 962560449 /nfs/dbraw/zinc/56/04/49/962560449.db2.gz PQJRWSQBWGKLFW-BZUAXINKSA-N 1 3 296.499 3.420 20 0 CGADHO CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCN)C1CCCCC1 ZINC001578909325 962603245 /nfs/dbraw/zinc/60/32/45/962603245.db2.gz VDWMMNGMTNZCBY-DJIMGWMZSA-N 1 3 282.472 3.031 20 0 CGADHO CO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CCN)C1CCCCC1 ZINC001578909325 962603254 /nfs/dbraw/zinc/60/32/54/962603254.db2.gz VDWMMNGMTNZCBY-DJIMGWMZSA-N 1 3 282.472 3.031 20 0 CGADHO COc1ccc([C@H](CN)C[NH+]2C3CCCC2CCC3)cc1 ZINC001579193528 962609454 /nfs/dbraw/zinc/60/94/54/962609454.db2.gz FTQMRAWXMWVYHY-KLAILNCOSA-N 1 3 288.435 3.145 20 0 CGADHO Cc1ccc(CN(CC2(C[NH3+])CCC2)C(C)C)s1 ZINC001579691130 962654152 /nfs/dbraw/zinc/65/41/52/962654152.db2.gz MUDCEVSZFQDWRG-UHFFFAOYSA-N 1 3 266.454 3.396 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3C[C@H]([NH3+])C34CCC4)C2)cc1 ZINC001579677810 962654328 /nfs/dbraw/zinc/65/43/28/962654328.db2.gz CPLRRBKEJWNLJW-SJJHQCBESA-N 1 3 270.420 3.101 20 0 CGADHO [NH3+]Cc1ccccc1CNCc1cnc2c(F)cccc2c1 ZINC001580348547 962718986 /nfs/dbraw/zinc/71/89/86/962718986.db2.gz ZRRUNKFINGCQAY-UHFFFAOYSA-N 1 3 295.361 3.122 20 0 CGADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000337403468 214058351 /nfs/dbraw/zinc/05/83/51/214058351.db2.gz QYSNUDUFUPUEAA-MSOLQXFVSA-N 1 3 290.451 3.043 20 0 CGADHO CCCC[NH+]1CCC(N[C@@H](COC)CC(C)(C)C)CC1 ZINC000651688760 398269804 /nfs/dbraw/zinc/26/98/04/398269804.db2.gz WXWQUIBVJUCYTJ-MRXNPFEDSA-N 1 3 284.488 3.292 20 0 CGADHO CN1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708995 398272751 /nfs/dbraw/zinc/27/27/51/398272751.db2.gz IALANPOBEXBWMF-RISCZKNCSA-N 1 3 296.817 3.398 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000651866224 398298914 /nfs/dbraw/zinc/29/89/14/398298914.db2.gz ZWRZNTVUCPRPCU-RCCFBDPRSA-N 1 3 296.499 3.149 20 0 CGADHO CC[N@H+](CCCN[C@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000651910535 398305572 /nfs/dbraw/zinc/30/55/72/398305572.db2.gz XTDJOJIFQSCMGO-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000651910535 398305573 /nfs/dbraw/zinc/30/55/73/398305573.db2.gz XTDJOJIFQSCMGO-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000651911369 398305692 /nfs/dbraw/zinc/30/56/92/398305692.db2.gz VDNBMNDCMUAKOF-RBUKOAKNSA-N 1 3 284.447 3.315 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000125718342 187197333 /nfs/dbraw/zinc/19/73/33/187197333.db2.gz AOMKSEAUDMVMCK-NXOAAHMSSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125718342 187197334 /nfs/dbraw/zinc/19/73/34/187197334.db2.gz AOMKSEAUDMVMCK-NXOAAHMSSA-N 1 3 290.451 3.081 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367807 529544964 /nfs/dbraw/zinc/54/49/64/529544964.db2.gz YWYKULKMGDJZHN-IBGZPJMESA-N 1 3 280.415 3.401 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423481994 529568272 /nfs/dbraw/zinc/56/82/72/529568272.db2.gz XCAVIOLVYDFILJ-SMDDNHRTSA-N 1 3 288.357 3.353 20 0 CGADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCC1 ZINC000449105532 529632223 /nfs/dbraw/zinc/63/22/23/529632223.db2.gz IRLQZSAVYPQJCK-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO CCc1cccnc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414184662 529623317 /nfs/dbraw/zinc/62/33/17/529623317.db2.gz OBSAXFJNEPXOMC-LSDHHAIUSA-N 1 3 275.440 3.027 20 0 CGADHO CCc1cccnc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414184662 529623319 /nfs/dbraw/zinc/62/33/19/529623319.db2.gz OBSAXFJNEPXOMC-LSDHHAIUSA-N 1 3 275.440 3.027 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc2c1CCCN2)[C@H]1CCCCN1 ZINC000423411637 529631129 /nfs/dbraw/zinc/63/11/29/529631129.db2.gz GCUVIZJQBSBHSW-FUHWJXTLSA-N 1 3 287.451 3.055 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623344236 349783307 /nfs/dbraw/zinc/78/33/07/349783307.db2.gz BRLGZEXZDBLHLW-GOEBONIOSA-N 1 3 258.409 3.136 20 0 CGADHO C[N@H+]1CC[C@H](N[C@@H]2CCc3ccccc32)CC1(C)C ZINC000623344236 349783312 /nfs/dbraw/zinc/78/33/12/349783312.db2.gz BRLGZEXZDBLHLW-GOEBONIOSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423312882 529619179 /nfs/dbraw/zinc/61/91/79/529619179.db2.gz DYMZQYQYXGKOJL-KBPBESRZSA-N 1 3 252.789 3.118 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317789 529619333 /nfs/dbraw/zinc/61/93/33/529619333.db2.gz KPVIVNOUPCPTBZ-KBPBESRZSA-N 1 3 284.350 3.066 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccc(Br)c1 ZINC000423436600 529650999 /nfs/dbraw/zinc/65/09/99/529650999.db2.gz FKBBAGGTYTVKCT-KWBADKCTSA-N 1 3 285.229 3.226 20 0 CGADHO CC[C@H]([NH2+][C@H](C)C[C@H](C)N)C(C)(C)c1ccccc1 ZINC000422781533 529665426 /nfs/dbraw/zinc/66/54/26/529665426.db2.gz KWGJJKDKKWFSAL-LZWOXQAQSA-N 1 3 262.441 3.458 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000418104190 529682970 /nfs/dbraw/zinc/68/29/70/529682970.db2.gz KAHUVIRMEUIACO-DLBZAZTESA-N 1 3 287.451 3.465 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)s1 ZINC000423378624 529722192 /nfs/dbraw/zinc/72/21/92/529722192.db2.gz MIIQHGUHMRPEQF-GRYCIOLGSA-N 1 3 252.427 3.102 20 0 CGADHO Cc1ccc(F)c(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623540395 349830433 /nfs/dbraw/zinc/83/04/33/349830433.db2.gz XSVKPAZILHWISC-HNNXBMFYSA-N 1 3 278.415 3.139 20 0 CGADHO Cc1ccc(F)c(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623540395 349830436 /nfs/dbraw/zinc/83/04/36/349830436.db2.gz XSVKPAZILHWISC-HNNXBMFYSA-N 1 3 278.415 3.139 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@H]2CCC[C@@H]21 ZINC000423436691 529806498 /nfs/dbraw/zinc/80/64/98/529806498.db2.gz FPQJZIDHJHHKNR-NEWSRXKRSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@H]2CCC[C@@H]21 ZINC000423436691 529806499 /nfs/dbraw/zinc/80/64/99/529806499.db2.gz FPQJZIDHJHHKNR-NEWSRXKRSA-N 1 3 299.462 3.007 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000623656633 349857620 /nfs/dbraw/zinc/85/76/20/349857620.db2.gz YTAPSTCMKYMFEK-CQSZACIVSA-N 1 3 298.377 3.110 20 0 CGADHO CCC1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000623656611 349857673 /nfs/dbraw/zinc/85/76/73/349857673.db2.gz YKHCTXWGELTTBU-PCKAHOCUSA-N 1 3 252.446 3.277 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000623787813 349884235 /nfs/dbraw/zinc/88/42/35/349884235.db2.gz AQHSXCUIRNYFEW-CHWSQXEVSA-N 1 3 290.373 3.326 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000623787813 349884238 /nfs/dbraw/zinc/88/42/38/349884238.db2.gz AQHSXCUIRNYFEW-CHWSQXEVSA-N 1 3 290.373 3.326 20 0 CGADHO C[N@H+](CCSc1ccc(Cl)cc1)[C@H](CN)C1CC1 ZINC000359900009 529929270 /nfs/dbraw/zinc/92/92/70/529929270.db2.gz NZSQJGXAOZUWMD-CQSZACIVSA-N 1 3 284.856 3.101 20 0 CGADHO C[N@@H+](CCSc1ccc(Cl)cc1)[C@H](CN)C1CC1 ZINC000359900009 529929271 /nfs/dbraw/zinc/92/92/71/529929271.db2.gz NZSQJGXAOZUWMD-CQSZACIVSA-N 1 3 284.856 3.101 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437589848 529980798 /nfs/dbraw/zinc/98/07/98/529980798.db2.gz LAXYOVKAYFMKNQ-ZDUSSCGKSA-N 1 3 289.398 3.081 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437589848 529980799 /nfs/dbraw/zinc/98/07/99/529980799.db2.gz LAXYOVKAYFMKNQ-ZDUSSCGKSA-N 1 3 289.398 3.081 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423270780 529999042 /nfs/dbraw/zinc/99/90/42/529999042.db2.gz IMPNYRBPAXQZAJ-ZSVAQUKISA-N 1 3 280.378 3.189 20 0 CGADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(F)cc3F)C2)CC1 ZINC000367681887 530051152 /nfs/dbraw/zinc/05/11/52/530051152.db2.gz DLJYKENUBPCBLY-AWEZNQCLSA-N 1 3 294.389 3.129 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000337136988 213890125 /nfs/dbraw/zinc/89/01/25/213890125.db2.gz NQMSJRWJGNFNBF-UHFFFAOYSA-N 1 3 283.419 3.008 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040622726 344964010 /nfs/dbraw/zinc/96/40/10/344964010.db2.gz RUQUJBRCYZJHLF-NXVRBGIVSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNC2CC(c3ccc(F)cc3)C2)C1 ZINC000040622726 344964012 /nfs/dbraw/zinc/96/40/12/344964012.db2.gz RUQUJBRCYZJHLF-NXVRBGIVSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNC2CC(c3ccc(F)cc3)C2)C1 ZINC000040622726 344964014 /nfs/dbraw/zinc/96/40/14/344964014.db2.gz RUQUJBRCYZJHLF-NXVRBGIVSA-N 1 3 290.426 3.392 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000037197201 344948110 /nfs/dbraw/zinc/94/81/10/344948110.db2.gz MFICFZVVTMOOEP-CQSZACIVSA-N 1 3 278.440 3.242 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000148048175 232201998 /nfs/dbraw/zinc/20/19/98/232201998.db2.gz OXGLGKLLZIDMSM-ZLKJLUDKSA-N 1 3 297.240 3.370 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000078563602 345613528 /nfs/dbraw/zinc/61/35/28/345613528.db2.gz ZGHSVIJEFQPGBA-HNNXBMFYSA-N 1 3 283.419 3.403 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000078563602 345613533 /nfs/dbraw/zinc/61/35/33/345613533.db2.gz ZGHSVIJEFQPGBA-HNNXBMFYSA-N 1 3 283.419 3.403 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C(C1CC1)C1CC1 ZINC000093491859 345880738 /nfs/dbraw/zinc/88/07/38/345880738.db2.gz YLWUOHKFQZPIFI-JQHSSLGASA-N 1 3 276.468 3.323 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093693328 345885394 /nfs/dbraw/zinc/88/53/94/345885394.db2.gz WGWXTOVYBQHYQS-YTQUADARSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093693328 345885396 /nfs/dbraw/zinc/88/53/96/345885396.db2.gz WGWXTOVYBQHYQS-YTQUADARSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093693328 345885397 /nfs/dbraw/zinc/88/53/97/345885397.db2.gz WGWXTOVYBQHYQS-YTQUADARSA-N 1 3 286.463 3.454 20 0 CGADHO CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000161630784 346176358 /nfs/dbraw/zinc/17/63/58/346176358.db2.gz XRJHMYIXVUEALR-INIZCTEOSA-N 1 3 289.467 3.108 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000252121581 346389959 /nfs/dbraw/zinc/38/99/59/346389959.db2.gz KWRFKHOEORWVSM-UGUYLWEFSA-N 1 3 252.446 3.131 20 0 CGADHO CCCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252861819 346392780 /nfs/dbraw/zinc/39/27/80/346392780.db2.gz NQFDAPCOAMEEMC-SZMVWBNQSA-N 1 3 288.435 3.035 20 0 CGADHO [NH3+]CCC1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000316149791 346484998 /nfs/dbraw/zinc/48/49/98/346484998.db2.gz HCCUDNQAQODZBJ-UHFFFAOYSA-N 1 3 298.430 3.279 20 0 CGADHO C[C@H](CSCCF)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595008181 347255280 /nfs/dbraw/zinc/25/52/80/347255280.db2.gz BQZZJWYASAGWLE-QLFBSQMISA-N 1 3 290.492 3.035 20 0 CGADHO C[C@H](CSCCF)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595008181 347255282 /nfs/dbraw/zinc/25/52/82/347255282.db2.gz BQZZJWYASAGWLE-QLFBSQMISA-N 1 3 290.492 3.035 20 0 CGADHO C[C@H](CSCCF)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000595008181 347255284 /nfs/dbraw/zinc/25/52/84/347255284.db2.gz BQZZJWYASAGWLE-QLFBSQMISA-N 1 3 290.492 3.035 20 0 CGADHO Cc1nocc1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000339314056 215090219 /nfs/dbraw/zinc/09/02/19/215090219.db2.gz BQPSCGMWLQNAHZ-UHFFFAOYSA-N 1 3 291.439 3.116 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(CCSc2ccc(Cl)cc2)C1 ZINC000351851276 219225753 /nfs/dbraw/zinc/22/57/53/219225753.db2.gz KZJVQYFHKLQJHX-NEPJUHHUSA-N 1 3 284.856 3.101 20 0 CGADHO CSCC1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000599069614 347714170 /nfs/dbraw/zinc/71/41/70/347714170.db2.gz HXTPGFGPFHZLLI-HWOWSKLDSA-N 1 3 284.513 3.230 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624120055 349976511 /nfs/dbraw/zinc/97/65/11/349976511.db2.gz QOSUJYPHSOQHTB-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120466 349977388 /nfs/dbraw/zinc/97/73/88/349977388.db2.gz ZXRLUKXBYIFFBN-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122142 349979729 /nfs/dbraw/zinc/97/97/29/349979729.db2.gz KTWYWANWYOWOBY-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120808 349978367 /nfs/dbraw/zinc/97/83/67/349978367.db2.gz HHBKXCWQPOJCBZ-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000624123014 349981307 /nfs/dbraw/zinc/98/13/07/349981307.db2.gz DCPWQTZJPIXXHR-YJBOKZPZSA-N 1 3 287.451 3.244 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376707 215131157 /nfs/dbraw/zinc/13/11/57/215131157.db2.gz JUXJSCGDKSZCSK-CVEARBPZSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376707 215131159 /nfs/dbraw/zinc/13/11/59/215131159.db2.gz JUXJSCGDKSZCSK-CVEARBPZSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000624123054 349981896 /nfs/dbraw/zinc/98/18/96/349981896.db2.gz DVBCLHFYWJNLJT-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000624122983 349981755 /nfs/dbraw/zinc/98/17/55/349981755.db2.gz CHXXXSFOYBPITN-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123466 349982652 /nfs/dbraw/zinc/98/26/52/349982652.db2.gz MHWOIUAJFORCCD-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO C([C@@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC000608500395 348315405 /nfs/dbraw/zinc/31/54/05/348315405.db2.gz FUGSPSLNYDMGAD-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C([C@@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC000608500395 348315407 /nfs/dbraw/zinc/31/54/07/348315407.db2.gz FUGSPSLNYDMGAD-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO Cc1nc(C)c(CNCCCCC[NH+]2CCCC2)s1 ZINC000339501371 215213714 /nfs/dbraw/zinc/21/37/14/215213714.db2.gz WEUGQGRTALWSMC-UHFFFAOYSA-N 1 3 281.469 3.116 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@]2(C)CCCO2)CC1 ZINC000358835868 233201092 /nfs/dbraw/zinc/20/10/92/233201092.db2.gz VTGUGHUPKKKHEB-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000358835868 233201095 /nfs/dbraw/zinc/20/10/95/233201095.db2.gz VTGUGHUPKKKHEB-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000624313175 350024505 /nfs/dbraw/zinc/02/45/05/350024505.db2.gz GYVUSHWAYMLZQU-CQSZACIVSA-N 1 3 264.457 3.419 20 0 CGADHO CCN(CCOC1CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063926 350254868 /nfs/dbraw/zinc/25/48/68/350254868.db2.gz VOQXTQFTNNVTRG-UHFFFAOYSA-N 1 3 290.451 3.139 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000626113752 350263131 /nfs/dbraw/zinc/26/31/31/350263131.db2.gz FCJPTGKRABHPEQ-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CCCC2(CC2)CC1 ZINC000626113752 350263133 /nfs/dbraw/zinc/26/31/33/350263133.db2.gz FCJPTGKRABHPEQ-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190502 350433681 /nfs/dbraw/zinc/43/36/81/350433681.db2.gz IDVRXTBPZOMERR-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190502 350433683 /nfs/dbraw/zinc/43/36/83/350433683.db2.gz IDVRXTBPZOMERR-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190502 350433686 /nfs/dbraw/zinc/43/36/86/350433686.db2.gz IDVRXTBPZOMERR-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC000628190502 350433688 /nfs/dbraw/zinc/43/36/88/350433688.db2.gz IDVRXTBPZOMERR-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628204606 350439415 /nfs/dbraw/zinc/43/94/15/350439415.db2.gz FRWJAKDSQNWIPR-CVEARBPZSA-N 1 3 260.425 3.030 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000628232809 350454257 /nfs/dbraw/zinc/45/42/57/350454257.db2.gz OQGJYQQGHFADCP-CYBMUJFWSA-N 1 3 279.428 3.152 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1cc(F)cc(F)c1 ZINC000628425887 350536833 /nfs/dbraw/zinc/53/68/33/350536833.db2.gz YKKXTEUQBRZMCC-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@H](CNC[C@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425887 350536835 /nfs/dbraw/zinc/53/68/35/350536835.db2.gz YKKXTEUQBRZMCC-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@H](CNC[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425887 350536837 /nfs/dbraw/zinc/53/68/37/350536837.db2.gz YKKXTEUQBRZMCC-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CN1 ZINC000629535377 350704810 /nfs/dbraw/zinc/70/48/10/350704810.db2.gz CEEZRMUGMAUGLG-IGCXYCKISA-N 1 3 283.419 3.275 20 0 CGADHO Cc1ccccc1C[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000629536872 350705771 /nfs/dbraw/zinc/70/57/71/350705771.db2.gz GRSVUFJKTCXSOE-WBAXXEDZSA-N 1 3 272.436 3.046 20 0 CGADHO CC1(C)[C@H](c2ccc(F)cc2)CCN1C[C@H]1CC[NH2+]C1 ZINC000629575275 350713496 /nfs/dbraw/zinc/71/34/96/350713496.db2.gz NNRKSXCUKFKTDD-BBRMVZONSA-N 1 3 276.399 3.003 20 0 CGADHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccc2ccccc2c1 ZINC000629571816 350713924 /nfs/dbraw/zinc/71/39/24/350713924.db2.gz RJKCIEKQFYYLAA-HNNXBMFYSA-N 1 3 286.419 3.069 20 0 CGADHO Cc1ccc2ncc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000629518907 350700597 /nfs/dbraw/zinc/70/05/97/350700597.db2.gz MSXJRXSACWVUFX-JQHSSLGASA-N 1 3 295.430 3.102 20 0 CGADHO CC[NH2+]Cc1cccc(-c2cccc(OCCN(C)C)c2)c1 ZINC000629700499 350743494 /nfs/dbraw/zinc/74/34/94/350743494.db2.gz LJHJWMAJSNZLNR-UHFFFAOYSA-N 1 3 298.430 3.404 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc3c2CCC3)C1 ZINC000630077401 350808180 /nfs/dbraw/zinc/80/81/80/350808180.db2.gz OYTOTLGUPQXJAZ-INIZCTEOSA-N 1 3 272.436 3.043 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631056310 350939178 /nfs/dbraw/zinc/93/91/78/350939178.db2.gz GILSUNXURYVIJF-CQSZACIVSA-N 1 3 266.454 3.186 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631564257 351067932 /nfs/dbraw/zinc/06/79/32/351067932.db2.gz GVCVYESMDDCABL-SFHVURJKSA-N 1 3 287.451 3.171 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC000631571803 351071794 /nfs/dbraw/zinc/07/17/94/351071794.db2.gz IRTOJQDORZVROS-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]1C[C@H](N(C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475181 198031378 /nfs/dbraw/zinc/03/13/78/198031378.db2.gz PTPDXUARZCRLAE-XJKSGUPXSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@H]1C[C@H](N(C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475181 198031379 /nfs/dbraw/zinc/03/13/79/198031379.db2.gz PTPDXUARZCRLAE-XJKSGUPXSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005054 351622681 /nfs/dbraw/zinc/62/26/81/351622681.db2.gz GXAXPWMVKIUCOB-WBVHZDCISA-N 1 3 286.419 3.150 20 0 CGADHO C[C@H](CCc1ccco1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635005054 351622683 /nfs/dbraw/zinc/62/26/83/351622683.db2.gz GXAXPWMVKIUCOB-WBVHZDCISA-N 1 3 286.419 3.150 20 0 CGADHO C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccs1 ZINC000635004727 351622718 /nfs/dbraw/zinc/62/27/18/351622718.db2.gz KEENZZLUKCQVGM-ZFWWWQNUSA-N 1 3 274.433 3.359 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000635010204 351628302 /nfs/dbraw/zinc/62/83/02/351628302.db2.gz ZAKVUZDRTYEEOU-SQNIBIBYSA-N 1 3 272.436 3.115 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H](c2cccnc2)C2CCC2)C1 ZINC000635009964 351628535 /nfs/dbraw/zinc/62/85/35/351628535.db2.gz IHEVEMKJQKJIND-IAGOWNOFSA-N 1 3 287.451 3.291 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012165 351630980 /nfs/dbraw/zinc/63/09/80/351630980.db2.gz RFZBZCDIOVQRKK-ZIAGYGMSSA-N 1 3 280.481 3.437 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccco1)c1ccccc1 ZINC000336814724 295855142 /nfs/dbraw/zinc/85/51/42/295855142.db2.gz GIHHKWPEQXEVGD-XJKSGUPXSA-N 1 3 258.365 3.086 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271894448 191395813 /nfs/dbraw/zinc/39/58/13/191395813.db2.gz SYIUNYXGDVHHTO-GFCCVEGCSA-N 1 3 293.480 3.487 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271894448 191395816 /nfs/dbraw/zinc/39/58/16/191395816.db2.gz SYIUNYXGDVHHTO-GFCCVEGCSA-N 1 3 293.480 3.487 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488461 138346404 /nfs/dbraw/zinc/34/64/04/138346404.db2.gz BERCVPZOADRPSN-OKZBNKHCSA-N 1 3 272.436 3.395 20 0 CGADHO c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488005 138346706 /nfs/dbraw/zinc/34/67/06/138346706.db2.gz ASYUAOWIWLIEGY-IXDOHACOSA-N 1 3 258.409 3.087 20 0 CGADHO C[NH2+]C[C@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000109347866 138361771 /nfs/dbraw/zinc/36/17/71/138361771.db2.gz ROYQCRLAFZGGLD-CQSZACIVSA-N 1 3 278.399 3.298 20 0 CGADHO C[C@H]([NH2+]CC1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000126292412 138385776 /nfs/dbraw/zinc/38/57/76/138385776.db2.gz VXNUZXDSVXWJAR-LBPRGKRZSA-N 1 3 278.465 3.229 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422766473 235915578 /nfs/dbraw/zinc/91/55/78/235915578.db2.gz XJIYRVYGVUBBHP-HOCLYGCPSA-N 1 3 278.465 3.276 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000482163649 535358824 /nfs/dbraw/zinc/35/88/24/535358824.db2.gz LWCBBOGIAUZVMC-IXDOHACOSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000482163649 535358831 /nfs/dbraw/zinc/35/88/31/535358831.db2.gz LWCBBOGIAUZVMC-IXDOHACOSA-N 1 3 264.457 3.443 20 0 CGADHO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C2 ZINC000422976618 235951534 /nfs/dbraw/zinc/95/15/34/235951534.db2.gz DHSHYKRIKFYESA-HSALFYBXSA-N 1 3 298.474 3.302 20 0 CGADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)NCC(C)(C)[NH3+] ZINC000423288460 236026264 /nfs/dbraw/zinc/02/62/64/236026264.db2.gz SEOBHPLMAJUAGK-LLVKDONJSA-N 1 3 288.357 3.353 20 0 CGADHO c1ccc(CC[C@H](Cc2ccccc2)[NH2+]CC2CNC2)cc1 ZINC000423309350 236033507 /nfs/dbraw/zinc/03/35/07/236033507.db2.gz ZFCGLEQRQPFRQY-HXUWFJFHSA-N 1 3 294.442 3.040 20 0 CGADHO c1ccc(CC[C@H](Cc2ccccc2)NCC2C[NH2+]C2)cc1 ZINC000423309350 236033510 /nfs/dbraw/zinc/03/35/10/236033510.db2.gz ZFCGLEQRQPFRQY-HXUWFJFHSA-N 1 3 294.442 3.040 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423327683 236039662 /nfs/dbraw/zinc/03/96/62/236039662.db2.gz DEQPVEQPUTUFDP-RBUKOAKNSA-N 1 3 286.463 3.295 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328867 236040055 /nfs/dbraw/zinc/04/00/55/236040055.db2.gz SNBMNGLUXWZDFG-TVQRCGJNSA-N 1 3 272.314 3.093 20 0 CGADHO C[C@H](CCCc1cccnc1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423387991 236060073 /nfs/dbraw/zinc/06/00/73/236060073.db2.gz MKENIXFKBNFTRW-NVXWUHKLSA-N 1 3 289.467 3.161 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423361463 236050468 /nfs/dbraw/zinc/05/04/68/236050468.db2.gz GVUSSMUUGXYDLN-WFKFIOEPSA-N 1 3 258.409 3.038 20 0 CGADHO c1cc(C[NH2+][C@H](C2CC2)C2CCCC2)cc2c1CNC2 ZINC000423366185 236052049 /nfs/dbraw/zinc/05/20/49/236052049.db2.gz BQLQMNCELXSFBQ-SFHVURJKSA-N 1 3 270.420 3.348 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000423377788 236055634 /nfs/dbraw/zinc/05/56/34/236055634.db2.gz KJJZGRVELFXPFC-NCOADZHNSA-N 1 3 287.451 3.146 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1C ZINC000423379287 236056478 /nfs/dbraw/zinc/05/64/78/236056478.db2.gz MXSWCDNLWHJTTL-OWCLPIDISA-N 1 3 260.425 3.403 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CC[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000423406335 236066248 /nfs/dbraw/zinc/06/62/48/236066248.db2.gz UQWRIOIQGKWJPG-XYPHTWIQSA-N 1 3 258.409 3.034 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@@H]2CCNC[C@H]2C)C2CC2)cc1 ZINC000423406335 236066250 /nfs/dbraw/zinc/06/62/50/236066250.db2.gz UQWRIOIQGKWJPG-XYPHTWIQSA-N 1 3 258.409 3.034 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423447875 236073267 /nfs/dbraw/zinc/07/32/67/236073267.db2.gz UNYGSQBZHOYYNF-ONENECBXSA-N 1 3 298.352 3.143 20 0 CGADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000423491243 236085188 /nfs/dbraw/zinc/08/51/88/236085188.db2.gz YUDIYMNXNANZPA-QWHCGFSZSA-N 1 3 250.361 3.009 20 0 CGADHO COc1ccc([C@@H](NCCC[NH2+]C2CC2)C(C)C)cc1 ZINC000423564861 236098932 /nfs/dbraw/zinc/09/89/32/236098932.db2.gz SGAMDIUNETYORY-KRWDZBQOSA-N 1 3 276.424 3.124 20 0 CGADHO COc1ccc([C@@H]([NH2+]CCCNC2CC2)C(C)C)cc1 ZINC000423564861 236098934 /nfs/dbraw/zinc/09/89/34/236098934.db2.gz SGAMDIUNETYORY-KRWDZBQOSA-N 1 3 276.424 3.124 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1ccc(F)cc1F)CN(C)C ZINC000425929807 236273673 /nfs/dbraw/zinc/27/36/73/236273673.db2.gz GWVQWGLYGFJTST-CHWSQXEVSA-N 1 3 284.394 3.073 20 0 CGADHO CCCOc1cccc(CC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422994429 283411598 /nfs/dbraw/zinc/41/15/98/283411598.db2.gz VMSIVRCHQJYUBZ-WMZOPIPTSA-N 1 3 290.451 3.125 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000092739333 299289175 /nfs/dbraw/zinc/28/91/75/299289175.db2.gz LYCCBXFHIPHDIQ-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccnc1 ZINC000092739333 299289178 /nfs/dbraw/zinc/28/91/78/299289178.db2.gz LYCCBXFHIPHDIQ-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000178040379 299290649 /nfs/dbraw/zinc/29/06/49/299290649.db2.gz LZFBXDRYMGDZIP-JYJNAYRXSA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@H+](CC[C@H]1CCCN1C)Cc1cccs1 ZINC000178441978 189116860 /nfs/dbraw/zinc/11/68/60/189116860.db2.gz CCDMCWCWMDTVEV-CYBMUJFWSA-N 1 3 252.427 3.054 20 0 CGADHO CC[N@@H+](CC[C@H]1CCCN1C)Cc1cccs1 ZINC000178441978 189116861 /nfs/dbraw/zinc/11/68/61/189116861.db2.gz CCDMCWCWMDTVEV-CYBMUJFWSA-N 1 3 252.427 3.054 20 0 CGADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000423074699 296025710 /nfs/dbraw/zinc/02/57/10/296025710.db2.gz MPQRWBQMOJDMEK-UHDSXZAQSA-N 1 3 296.499 3.181 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-n2cccn2)cc1 ZINC000180855448 189280122 /nfs/dbraw/zinc/28/01/22/189280122.db2.gz KIOWFWMMDBCMSN-NVXWUHKLSA-N 1 3 298.434 3.007 20 0 CGADHO CC[NH+](CC)[C@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000301451760 201013574 /nfs/dbraw/zinc/01/35/74/201013574.db2.gz GBUPIZJVXYQKKJ-HNNXBMFYSA-N 1 3 283.419 3.464 20 0 CGADHO Cc1cc(C[NH2+]CC2(CN(C)C)CCCC2)cs1 ZINC000449244284 239265214 /nfs/dbraw/zinc/26/52/14/239265214.db2.gz RGMFELHKJDLRLT-UHFFFAOYSA-N 1 3 266.454 3.268 20 0 CGADHO C[C@H](Cc1ccoc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000449218600 239250322 /nfs/dbraw/zinc/25/03/22/239250322.db2.gz JYGKTJOKQSUOCC-GFCCVEGCSA-N 1 3 264.413 3.109 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000449218600 239250324 /nfs/dbraw/zinc/25/03/24/239250324.db2.gz JYGKTJOKQSUOCC-GFCCVEGCSA-N 1 3 264.413 3.109 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@@H](C)c1ccccc1 ZINC000414790958 299369533 /nfs/dbraw/zinc/36/95/33/299369533.db2.gz AWLUUCQYCMOIOE-YQFWSFKMSA-N 1 3 260.425 3.286 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459429029 242105463 /nfs/dbraw/zinc/10/54/63/242105463.db2.gz QAFCZUMNFYYNAK-HZPDHXFCSA-N 1 3 280.843 3.345 20 0 CGADHO CC(C)c1cnc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335543940 212244237 /nfs/dbraw/zinc/24/42/37/212244237.db2.gz NQCBRUOKZSLBLM-CYBMUJFWSA-N 1 3 293.480 3.231 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000340440632 291390400 /nfs/dbraw/zinc/39/04/00/291390400.db2.gz PVCBNEXYFHRPCC-YDZRNGNQSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000340440632 291390403 /nfs/dbraw/zinc/39/04/03/291390403.db2.gz PVCBNEXYFHRPCC-YDZRNGNQSA-N 1 3 284.447 3.397 20 0 CGADHO CCCCOc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000480712665 243161248 /nfs/dbraw/zinc/16/12/48/243161248.db2.gz KJCHJVVSQNHVKW-QAPCUYQASA-N 1 3 290.451 3.295 20 0 CGADHO CCCCOc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480712665 243161252 /nfs/dbraw/zinc/16/12/52/243161252.db2.gz KJCHJVVSQNHVKW-QAPCUYQASA-N 1 3 290.451 3.295 20 0 CGADHO CCOc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)cc1F ZINC000486963489 243386818 /nfs/dbraw/zinc/38/68/18/243386818.db2.gz GOIOJHZJSBWEPW-OAHLLOKOSA-N 1 3 294.414 3.046 20 0 CGADHO C[NH+]1CCC(C)(CNCc2ccc(Cl)cc2F)CC1 ZINC000218970764 376193014 /nfs/dbraw/zinc/19/30/14/376193014.db2.gz LCCQCCNDQNJSSF-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1F ZINC000019905935 368778565 /nfs/dbraw/zinc/77/85/65/368778565.db2.gz VXHMBKVPNZOEOP-GFCCVEGCSA-N 1 3 282.403 3.073 20 0 CGADHO Fc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000036997012 369048364 /nfs/dbraw/zinc/04/83/64/369048364.db2.gz DAIWEKBTOAOYMR-DQVOVIAYSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000036997012 369048368 /nfs/dbraw/zinc/04/83/68/369048368.db2.gz DAIWEKBTOAOYMR-DQVOVIAYSA-N 1 3 288.410 3.288 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1OC ZINC000037197124 369075830 /nfs/dbraw/zinc/07/58/30/369075830.db2.gz OXLPWJQQQWMVIE-OAHLLOKOSA-N 1 3 278.440 3.324 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000037643953 369093604 /nfs/dbraw/zinc/09/36/04/369093604.db2.gz BVKBRCKFCWOLQC-UKRRQHHQSA-N 1 3 276.449 3.155 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)CN1CCCCC1 ZINC000038041792 369142319 /nfs/dbraw/zinc/14/23/19/369142319.db2.gz GEWITTNCCPTPID-HOTGVXAUSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccsc1 ZINC000050338845 369436441 /nfs/dbraw/zinc/43/64/41/369436441.db2.gz JEPJYPBCCGZVRI-CYBMUJFWSA-N 1 3 252.427 3.275 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128981531 370968148 /nfs/dbraw/zinc/96/81/48/370968148.db2.gz JWCRSVSDEXIGNM-WBVHZDCISA-N 1 3 290.451 3.294 20 0 CGADHO C[C@H](c1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198146 369643289 /nfs/dbraw/zinc/64/32/89/369643289.db2.gz MNAXTIVILWEYGT-DYVFJYSZSA-N 1 3 276.399 3.351 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)[C@H]1CCCNC1 ZINC000423153711 296149422 /nfs/dbraw/zinc/14/94/22/296149422.db2.gz GTVZNZGEEKKFQA-OWYFMNJBSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169806 369786767 /nfs/dbraw/zinc/78/67/67/369786767.db2.gz IUPFEISZYYIURW-CHWSQXEVSA-N 1 3 266.816 3.462 20 0 CGADHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC000075206863 369899546 /nfs/dbraw/zinc/89/95/46/369899546.db2.gz PTSZIVGZDVYCTM-ALOPSCKCSA-N 1 3 258.409 3.018 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000089146241 370037411 /nfs/dbraw/zinc/03/74/11/370037411.db2.gz VFEGDSANERPJIQ-FZMZJTMJSA-N 1 3 286.341 3.313 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000092043473 370090311 /nfs/dbraw/zinc/09/03/11/370090311.db2.gz CSCSQQFNORLHSH-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000092043473 370090316 /nfs/dbraw/zinc/09/03/16/370090316.db2.gz CSCSQQFNORLHSH-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043473 370090318 /nfs/dbraw/zinc/09/03/18/370090318.db2.gz CSCSQQFNORLHSH-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC000092043473 370090322 /nfs/dbraw/zinc/09/03/22/370090322.db2.gz CSCSQQFNORLHSH-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO CO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000513332294 245072721 /nfs/dbraw/zinc/07/27/21/245072721.db2.gz ZFSVEKYVZDMAMF-DLBZAZTESA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000513332294 245072723 /nfs/dbraw/zinc/07/27/23/245072723.db2.gz ZFSVEKYVZDMAMF-DLBZAZTESA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000132098711 371152323 /nfs/dbraw/zinc/15/23/23/371152323.db2.gz DBAUQCGJKJOPND-KLHDSHLOSA-N 1 3 252.446 3.036 20 0 CGADHO COc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000132215570 371159658 /nfs/dbraw/zinc/15/96/58/371159658.db2.gz MWLDMZYSKCCDMF-KGLIPLIRSA-N 1 3 284.403 3.018 20 0 CGADHO CSCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000132478570 371177675 /nfs/dbraw/zinc/17/76/75/371177675.db2.gz UPNBIKZBDASREA-AWEZNQCLSA-N 1 3 296.480 3.031 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000134091047 371301635 /nfs/dbraw/zinc/30/16/35/371301635.db2.gz SXOZWWHRHMGNCC-ZACQAIPSSA-N 1 3 264.457 3.300 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134865008 371370478 /nfs/dbraw/zinc/37/04/78/371370478.db2.gz BTCXMKNJNRPEFQ-MJGOQNOKSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134865008 371370480 /nfs/dbraw/zinc/37/04/80/371370480.db2.gz BTCXMKNJNRPEFQ-MJGOQNOKSA-N 1 3 284.447 3.444 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000151143877 371576547 /nfs/dbraw/zinc/57/65/47/371576547.db2.gz ASQALWUWDBDUMX-IYOUNJFTSA-N 1 3 290.426 3.381 20 0 CGADHO COC1([C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)CCCC1 ZINC000421814088 371638439 /nfs/dbraw/zinc/63/84/39/371638439.db2.gz INNUBZUJBZRHQO-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000421814088 371638447 /nfs/dbraw/zinc/63/84/47/371638447.db2.gz INNUBZUJBZRHQO-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000421814088 371638451 /nfs/dbraw/zinc/63/84/51/371638451.db2.gz INNUBZUJBZRHQO-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCCCC2)C1 ZINC000421823299 371644571 /nfs/dbraw/zinc/64/45/71/371644571.db2.gz CRFMMWLPWDGVMU-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)N[C@H](C)C1C[NH2+]C1 ZINC000422706729 371761244 /nfs/dbraw/zinc/76/12/44/371761244.db2.gz FSMQJPLCLDADPY-RHSMWYFYSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@H](C)C1CNC1 ZINC000422706729 371761253 /nfs/dbraw/zinc/76/12/53/371761253.db2.gz FSMQJPLCLDADPY-RHSMWYFYSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422714026 371765901 /nfs/dbraw/zinc/76/59/01/371765901.db2.gz QORMCAOAVGMAQJ-SJPCQFCGSA-N 1 3 272.436 3.145 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)c1cccc(F)c1 ZINC000422762414 371792970 /nfs/dbraw/zinc/79/29/70/371792970.db2.gz NTVDOZIAUJUHFP-CJNGLKHVSA-N 1 3 278.415 3.210 20 0 CGADHO COc1ccccc1C1(CN[C@@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000422739183 371777809 /nfs/dbraw/zinc/77/78/09/371777809.db2.gz KTWPFFRIVCCEKS-CABCVRRESA-N 1 3 290.451 3.222 20 0 CGADHO COc1ccccc1C1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCC1 ZINC000422739183 371777816 /nfs/dbraw/zinc/77/78/16/371777816.db2.gz KTWPFFRIVCCEKS-CABCVRRESA-N 1 3 290.451 3.222 20 0 CGADHO c1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000422748999 371782560 /nfs/dbraw/zinc/78/25/60/371782560.db2.gz WZEWWBKPEBGOAD-ZWKOTPCHSA-N 1 3 266.388 3.270 20 0 CGADHO C[C@@H]1CCC[C@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422746655 371782903 /nfs/dbraw/zinc/78/29/03/371782903.db2.gz OAEWZWSSOQQVHV-YFVFXCHESA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422757556 371786919 /nfs/dbraw/zinc/78/69/19/371786919.db2.gz JQLUVSZOXIATCI-BBRMVZONSA-N 1 3 296.455 3.286 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422820239 371829120 /nfs/dbraw/zinc/82/91/20/371829120.db2.gz PPDSRVQYKSYSSF-FQUUOJAGSA-N 1 3 292.389 3.475 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828651 371831517 /nfs/dbraw/zinc/83/15/17/371831517.db2.gz ORZAKSRJHZIHDB-KFWWJZLASA-N 1 3 296.361 3.135 20 0 CGADHO CC[NH+]1CCC(NCc2ccc3sccc3c2)CC1 ZINC000289729079 371804321 /nfs/dbraw/zinc/80/43/21/371804321.db2.gz JZFRZIROHOTLIV-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000422787656 371808656 /nfs/dbraw/zinc/80/86/56/371808656.db2.gz UTUNIVKEFIWMBV-ZMSDIMECSA-N 1 3 260.425 3.342 20 0 CGADHO COc1ccc2cc(CN[C@H](C)C[C@H](C)[NH3+])ccc2c1 ZINC000422794437 371813698 /nfs/dbraw/zinc/81/36/98/371813698.db2.gz GPGIWIDQOGCKCV-QWHCGFSZSA-N 1 3 272.392 3.064 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2cc(F)ccc2F)c2ccccc21 ZINC000422808110 371822502 /nfs/dbraw/zinc/82/25/02/371822502.db2.gz AGMXIXHTXZRYBO-IRXDYDNUSA-N 1 3 288.341 3.242 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422813357 371827804 /nfs/dbraw/zinc/82/78/04/371827804.db2.gz RQWXPWVTQPAGFK-WBVHZDCISA-N 1 3 272.436 3.215 20 0 CGADHO Cc1ccc(OCCCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422864201 371845499 /nfs/dbraw/zinc/84/54/99/371845499.db2.gz UOSVOUDEMCCBNQ-IRXDYDNUSA-N 1 3 276.424 3.014 20 0 CGADHO Cc1cccc(C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000422911381 371863236 /nfs/dbraw/zinc/86/32/36/371863236.db2.gz KQTLFUWEJWMNBP-SWDXFRIISA-N 1 3 284.447 3.189 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCCc2cccc(F)c2)c2ccccc21 ZINC000422909679 371863668 /nfs/dbraw/zinc/86/36/68/371863668.db2.gz OQFSDTAJKATDIM-ZWKOTPCHSA-N 1 3 284.378 3.493 20 0 CGADHO C[C@@H](NCC(C)(C)c1c(F)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422922230 371872211 /nfs/dbraw/zinc/87/22/11/371872211.db2.gz SGMMEYMDVJGZKI-VXGBXAGGSA-N 1 3 298.833 3.344 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422925778 371873920 /nfs/dbraw/zinc/87/39/20/371873920.db2.gz BSMAQSAFRILVMI-DLBZAZTESA-N 1 3 260.425 3.096 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422931532 371877356 /nfs/dbraw/zinc/87/73/56/371877356.db2.gz XTKYKGDBTIKYQT-AXFHLTTASA-N 1 3 290.329 3.362 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(Cl)s1 ZINC000422934894 371879823 /nfs/dbraw/zinc/87/98/23/371879823.db2.gz GQKFBDSUNLOVAK-VXGBXAGGSA-N 1 3 272.845 3.194 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422941640 371882458 /nfs/dbraw/zinc/88/24/58/371882458.db2.gz VFBXKHCHNXMDSC-SDDRHHMPSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422941640 371882464 /nfs/dbraw/zinc/88/24/64/371882464.db2.gz VFBXKHCHNXMDSC-SDDRHHMPSA-N 1 3 288.357 3.352 20 0 CGADHO Cc1cccc([C@H](N[C@H](C)C2C[NH2+]C2)C(C)(C)C)c1 ZINC000422841282 371837098 /nfs/dbraw/zinc/83/70/98/371837098.db2.gz VMKYIPZNZJSQKU-CJNGLKHVSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1cccc([C@H]([NH2+][C@H](C)C2CNC2)C(C)(C)C)c1 ZINC000422841282 371837106 /nfs/dbraw/zinc/83/71/06/371837106.db2.gz VMKYIPZNZJSQKU-CJNGLKHVSA-N 1 3 260.425 3.280 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423060793 371941257 /nfs/dbraw/zinc/94/12/57/371941257.db2.gz IZIHUVBFRDCLHM-CVEARBPZSA-N 1 3 294.389 3.246 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423060796 371941432 /nfs/dbraw/zinc/94/14/32/371941432.db2.gz IZIHUVBFRDCLHM-JKSUJKDBSA-N 1 3 294.389 3.246 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000422954943 371890383 /nfs/dbraw/zinc/89/03/83/371890383.db2.gz IPWVDVVKMYEQBS-SPKLELGKSA-N 1 3 295.430 3.433 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422974414 371897318 /nfs/dbraw/zinc/89/73/18/371897318.db2.gz FAGHZNGKSIXUNW-IKGGRYGDSA-N 1 3 284.488 3.074 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422972836 371897810 /nfs/dbraw/zinc/89/78/10/371897810.db2.gz AMWLMJYDAZGDOS-XDNAFOTISA-N 1 3 296.499 3.074 20 0 CGADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422972836 371897814 /nfs/dbraw/zinc/89/78/14/371897814.db2.gz AMWLMJYDAZGDOS-XDNAFOTISA-N 1 3 296.499 3.074 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2Cc3ccccc3C2)c2ccccc21 ZINC000422983861 371902110 /nfs/dbraw/zinc/90/21/10/371902110.db2.gz VLUHCZXVWMNNJC-OALUTQOASA-N 1 3 278.399 3.136 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000423000685 371910692 /nfs/dbraw/zinc/91/06/92/371910692.db2.gz HDFVZFHUGYXICS-KEYYUXOJSA-N 1 3 258.409 3.357 20 0 CGADHO COc1cc(C)cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423006337 371911533 /nfs/dbraw/zinc/91/15/33/371911533.db2.gz VEVQPZJZZAQJNG-ZDUSSCGKSA-N 1 3 299.418 3.017 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024136 371920431 /nfs/dbraw/zinc/92/04/31/371920431.db2.gz LBNBSDIJCDIJLS-DOMZBBRYSA-N 1 3 278.827 3.089 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423024136 371920438 /nfs/dbraw/zinc/92/04/38/371920438.db2.gz LBNBSDIJCDIJLS-DOMZBBRYSA-N 1 3 278.827 3.089 20 0 CGADHO CS[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000423039007 371928198 /nfs/dbraw/zinc/92/81/98/371928198.db2.gz ZQZKEFXTXIWIOO-NHYWBVRUSA-N 1 3 295.496 3.277 20 0 CGADHO CCC1(Cc2ccccc2)CC[NH+](C2CCNCC2)CC1 ZINC000423092521 371958277 /nfs/dbraw/zinc/95/82/77/371958277.db2.gz CDZRTNMCBXGPLN-UHFFFAOYSA-N 1 3 286.463 3.473 20 0 CGADHO CCC1(Cc2ccccc2)CCN(C2CC[NH2+]CC2)CC1 ZINC000423092521 371958283 /nfs/dbraw/zinc/95/82/83/371958283.db2.gz CDZRTNMCBXGPLN-UHFFFAOYSA-N 1 3 286.463 3.473 20 0 CGADHO Fc1ccccc1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423094527 371961425 /nfs/dbraw/zinc/96/14/25/371961425.db2.gz KHUOOIMNUZCMNO-CGTJXYLNSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](CO)CCC(C)(C)C ZINC000423105248 371967655 /nfs/dbraw/zinc/96/76/55/371967655.db2.gz YTLUQFAWKWLPDB-OAGGEKHMSA-N 1 3 284.488 3.074 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CC1 ZINC000423115657 371975348 /nfs/dbraw/zinc/97/53/48/371975348.db2.gz YFXGMGIKFAWDOI-NWDGAFQWSA-N 1 3 278.362 3.229 20 0 CGADHO Clc1cccc(CC2(C[NH2+]C3CCNCC3)CC2)c1 ZINC000423171228 372002129 /nfs/dbraw/zinc/00/21/29/372002129.db2.gz NQQIGTFDSHOFQS-UHFFFAOYSA-N 1 3 278.827 3.004 20 0 CGADHO Clc1cccc(CC2(CNC3CC[NH2+]CC3)CC2)c1 ZINC000423171228 372002135 /nfs/dbraw/zinc/00/21/35/372002135.db2.gz NQQIGTFDSHOFQS-UHFFFAOYSA-N 1 3 278.827 3.004 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423125318 371978533 /nfs/dbraw/zinc/97/85/33/371978533.db2.gz QIYCPLNAPXMRNZ-MHORFTMASA-N 1 3 288.435 3.014 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000423136300 371985454 /nfs/dbraw/zinc/98/54/54/371985454.db2.gz OZHGWIFMCBJBBW-MJBXVCDLSA-N 1 3 286.341 3.192 20 0 CGADHO C[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2CN)C[C@H]1c1ccccc1 ZINC000423140454 371986833 /nfs/dbraw/zinc/98/68/33/371986833.db2.gz YLHUXQZYNAZNMV-FJIDUMEYSA-N 1 3 272.436 3.287 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CSc2ccccc21 ZINC000423144292 371988006 /nfs/dbraw/zinc/98/80/06/371988006.db2.gz GQRCIRUOKRCOBG-BPLDGKMQSA-N 1 3 276.449 3.126 20 0 CGADHO Cc1ccc(C2(CN[C@H](C)C[C@H](C)[NH3+])CC2)c(C)c1 ZINC000423144732 371990219 /nfs/dbraw/zinc/99/02/19/371990219.db2.gz HUGXPAKYSRVKOE-LSDHHAIUSA-N 1 3 260.425 3.050 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H](C)C[C@H](C)N)CC2)c(C)c1 ZINC000423144732 371990225 /nfs/dbraw/zinc/99/02/25/371990225.db2.gz HUGXPAKYSRVKOE-LSDHHAIUSA-N 1 3 260.425 3.050 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCC2CC(F)(F)C2)c2ccccc21 ZINC000423159821 371995931 /nfs/dbraw/zinc/99/59/31/371995931.db2.gz GQFNMTSWDIUMJV-KBPBESRZSA-N 1 3 266.335 3.156 20 0 CGADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423163590 371998406 /nfs/dbraw/zinc/99/84/06/371998406.db2.gz MVWXMIRQUSSBAZ-JCURWCKSSA-N 1 3 294.414 3.015 20 0 CGADHO C[C@H](NC1(Cc2cccc(Cl)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423167522 372000553 /nfs/dbraw/zinc/00/05/53/372000553.db2.gz WZORIBHXBDLSTL-GXTWGEPZSA-N 1 3 278.827 3.003 20 0 CGADHO C[C@](O)(C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C1CCCCC1 ZINC000423070167 371945728 /nfs/dbraw/zinc/94/57/28/371945728.db2.gz FRDWBGQVYWAION-KURKYZTESA-N 1 3 288.435 3.052 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290593883 372024691 /nfs/dbraw/zinc/02/46/91/372024691.db2.gz VNCOXCQQCLKPCK-YJBOKZPZSA-N 1 3 290.451 3.246 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290593883 372024697 /nfs/dbraw/zinc/02/46/97/372024697.db2.gz VNCOXCQQCLKPCK-YJBOKZPZSA-N 1 3 290.451 3.246 20 0 CGADHO COc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423205285 372028305 /nfs/dbraw/zinc/02/83/05/372028305.db2.gz FCVRHTJETSZMRP-LSDHHAIUSA-N 1 3 298.430 3.499 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCNC2)c2ccccc12 ZINC000423205285 372028315 /nfs/dbraw/zinc/02/83/15/372028315.db2.gz FCVRHTJETSZMRP-LSDHHAIUSA-N 1 3 298.430 3.499 20 0 CGADHO COc1ccc2cc([C@@H](C)NC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423206034 372028846 /nfs/dbraw/zinc/02/88/46/372028846.db2.gz FPXYTCXBTMZLQN-CABCVRRESA-N 1 3 298.430 3.499 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[NH2+]3)[C@H](C)C2 ZINC000423204367 372029057 /nfs/dbraw/zinc/02/90/57/372029057.db2.gz ANAVIOMBDYMBMO-RFOFUXHYSA-N 1 3 270.420 3.101 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCCNC2)C(C)C)cc1 ZINC000423210561 372032188 /nfs/dbraw/zinc/03/21/88/372032188.db2.gz JWORYLVGUUDPHU-QZTJIDSGSA-N 1 3 274.452 3.151 20 0 CGADHO Cc1cc(OCCC[C@H](C)[NH2+][C@@H]2CCNC2)ccc1Cl ZINC000423209479 372032552 /nfs/dbraw/zinc/03/25/52/372032552.db2.gz GFEBNUGCISOXDE-UONOGXRCSA-N 1 3 296.842 3.147 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)CCN1 ZINC000423396578 372060837 /nfs/dbraw/zinc/06/08/37/372060837.db2.gz UHIVIDXGJGOJPG-CFAJVAMVSA-N 1 3 258.409 3.355 20 0 CGADHO Cc1cc(C)c([C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1C ZINC000423218409 372037956 /nfs/dbraw/zinc/03/79/56/372037956.db2.gz VJTVHUMPWYELCJ-HZPDHXFCSA-N 1 3 260.425 3.262 20 0 CGADHO C[C@H](CN)[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423335689 372052820 /nfs/dbraw/zinc/05/28/20/372052820.db2.gz UCUCFHYWNFEXKT-IAQYHMDHSA-N 1 3 260.381 3.457 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C)c2sccc21 ZINC000423381974 372057694 /nfs/dbraw/zinc/05/76/94/372057694.db2.gz DDXUIAZTGKHGJD-RFHZTLPTSA-N 1 3 264.438 3.274 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C)c2sccc21 ZINC000423381974 372057701 /nfs/dbraw/zinc/05/77/01/372057701.db2.gz DDXUIAZTGKHGJD-RFHZTLPTSA-N 1 3 264.438 3.274 20 0 CGADHO Clc1ccc2c(c1)[C@@H]([NH2+]C1CCNCC1)CCCC2 ZINC000423175726 372005035 /nfs/dbraw/zinc/00/50/35/372005035.db2.gz AXQFUFGDMBWJJZ-INIZCTEOSA-N 1 3 278.827 3.449 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423179278 372008481 /nfs/dbraw/zinc/00/84/81/372008481.db2.gz LQFGFQHLQCJUIA-HNNXBMFYSA-N 1 3 298.434 3.185 20 0 CGADHO CCCCCOc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000423179492 372008965 /nfs/dbraw/zinc/00/89/65/372008965.db2.gz MGMJZMWGQUMDSP-CQSZACIVSA-N 1 3 264.413 3.255 20 0 CGADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423182646 372011021 /nfs/dbraw/zinc/01/10/21/372011021.db2.gz QURQODADFKCYEE-GOEBONIOSA-N 1 3 276.424 3.014 20 0 CGADHO C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501064 372069950 /nfs/dbraw/zinc/06/99/50/372069950.db2.gz KXBSWUIINGXMSP-FZMZJTMJSA-N 1 3 278.465 3.405 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000423503632 372070924 /nfs/dbraw/zinc/07/09/24/372070924.db2.gz FZHBOIZHIIFSLJ-YDZRNGNQSA-N 1 3 284.447 3.300 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425916671 372144388 /nfs/dbraw/zinc/14/43/88/372144388.db2.gz FZCRBAVEZKPQCI-RHSMWYFYSA-N 1 3 280.431 3.180 20 0 CGADHO CSc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000292907249 372244039 /nfs/dbraw/zinc/24/40/39/372244039.db2.gz HARRHTGGSHNSDD-QGZVFWFLSA-N 1 3 290.476 3.326 20 0 CGADHO CSc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000292907249 372244045 /nfs/dbraw/zinc/24/40/45/372244045.db2.gz HARRHTGGSHNSDD-QGZVFWFLSA-N 1 3 290.476 3.326 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430954775 372410428 /nfs/dbraw/zinc/41/04/28/372410428.db2.gz GKPCWGADKHYGRL-BZNIZROVSA-N 1 3 282.378 3.475 20 0 CGADHO [NH3+]C[C@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000430958684 372410476 /nfs/dbraw/zinc/41/04/76/372410476.db2.gz YWUXNPOQXLYIMD-GFCCVEGCSA-N 1 3 284.856 3.103 20 0 CGADHO C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000430972506 372411799 /nfs/dbraw/zinc/41/17/99/372411799.db2.gz QCZJAKLAGJTUGU-KDOFPFPSSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000430972506 372411804 /nfs/dbraw/zinc/41/18/04/372411804.db2.gz QCZJAKLAGJTUGU-KDOFPFPSSA-N 1 3 268.404 3.051 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268631 372458085 /nfs/dbraw/zinc/45/80/85/372458085.db2.gz ZKJAGHIUKSQMCV-STQMWFEESA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268631 372458091 /nfs/dbraw/zinc/45/80/91/372458091.db2.gz ZKJAGHIUKSQMCV-STQMWFEESA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc3c(s2)CCC3)C1 ZINC000163268631 372458095 /nfs/dbraw/zinc/45/80/95/372458095.db2.gz ZKJAGHIUKSQMCV-STQMWFEESA-N 1 3 278.465 3.229 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1F ZINC000168754970 372619491 /nfs/dbraw/zinc/61/94/91/372619491.db2.gz OKGBQTQRQZIJMH-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO CCN(CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435630160 372787389 /nfs/dbraw/zinc/78/73/89/372787389.db2.gz VWYMYHVYGAOENJ-CQSZACIVSA-N 1 3 296.842 3.183 20 0 CGADHO CC(C)(C)c1ncc(CN2CCC[C@H](CC[NH3+])C2)s1 ZINC000442925427 373127142 /nfs/dbraw/zinc/12/71/42/373127142.db2.gz VMYWSGZWOFUGKW-GFCCVEGCSA-N 1 3 281.469 3.001 20 0 CGADHO CCCCOc1ccccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000442925331 373128648 /nfs/dbraw/zinc/12/86/48/373128648.db2.gz UZKTYJKSBSLJQT-INIZCTEOSA-N 1 3 290.451 3.426 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000173923760 373215251 /nfs/dbraw/zinc/21/52/51/373215251.db2.gz MTOCJPWEERAFTE-JKSUJKDBSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000173923760 373215252 /nfs/dbraw/zinc/21/52/52/373215252.db2.gz MTOCJPWEERAFTE-JKSUJKDBSA-N 1 3 290.451 3.186 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000445414669 373312220 /nfs/dbraw/zinc/31/22/20/373312220.db2.gz YYVRGRVYZFHSBA-ZBFHGGJFSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000445414669 373312234 /nfs/dbraw/zinc/31/22/34/373312234.db2.gz YYVRGRVYZFHSBA-ZBFHGGJFSA-N 1 3 252.446 3.085 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178413669 373776585 /nfs/dbraw/zinc/77/65/85/373776585.db2.gz SELUQRCYBHIQJY-HZPDHXFCSA-N 1 3 290.451 3.263 20 0 CGADHO CCc1cc(N2CCC([NH+](C)C)CC2)c2ccccc2n1 ZINC000301815795 373807575 /nfs/dbraw/zinc/80/75/75/373807575.db2.gz ZZZSTBHMCZJGLN-UHFFFAOYSA-N 1 3 283.419 3.328 20 0 CGADHO Cc1cccc(C(C)(C)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000179598142 373893501 /nfs/dbraw/zinc/89/35/01/373893501.db2.gz VBULLHOYSBWBNU-INIZCTEOSA-N 1 3 260.425 3.304 20 0 CGADHO Cc1cccc(C(C)(C)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000179598142 373893508 /nfs/dbraw/zinc/89/35/08/373893508.db2.gz VBULLHOYSBWBNU-INIZCTEOSA-N 1 3 260.425 3.304 20 0 CGADHO Cc1ccc([C@@H](CNc2cc[nH+]c(C)c2)N(C)C)cc1 ZINC000302581645 373899585 /nfs/dbraw/zinc/89/95/85/373899585.db2.gz SQXCNDJPEKFMCX-QGZVFWFLSA-N 1 3 269.392 3.413 20 0 CGADHO CCCc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2ccccc2n1 ZINC000302865083 373988578 /nfs/dbraw/zinc/98/85/78/373988578.db2.gz UCXPGPRVKGNLBJ-GASCZTMLSA-N 1 3 295.430 3.185 20 0 CGADHO CCCc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2ccccc2n1 ZINC000302865083 373988585 /nfs/dbraw/zinc/98/85/85/373988585.db2.gz UCXPGPRVKGNLBJ-GASCZTMLSA-N 1 3 295.430 3.185 20 0 CGADHO FC1(F)CCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450430455 374122779 /nfs/dbraw/zinc/12/27/79/374122779.db2.gz RVFFAKAKXINQGK-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450430455 374122786 /nfs/dbraw/zinc/12/27/86/374122786.db2.gz RVFFAKAKXINQGK-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450430455 374122793 /nfs/dbraw/zinc/12/27/93/374122793.db2.gz RVFFAKAKXINQGK-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CC2=CCCCC2)C[C@H]1C ZINC000450467783 374150697 /nfs/dbraw/zinc/15/06/97/374150697.db2.gz LYSXLGAQXMFJJA-GDBMZVCRSA-N 1 3 250.430 3.291 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CC2=CCCCC2)C[C@H]1C ZINC000450467783 374150705 /nfs/dbraw/zinc/15/07/05/374150705.db2.gz LYSXLGAQXMFJJA-GDBMZVCRSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)CN(C)C ZINC000310791301 374225061 /nfs/dbraw/zinc/22/50/61/374225061.db2.gz UUXMZXBHKAYIDU-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C1CC(C([NH2+][C@@H]2CCN3CCC[C@H]3C2)C2CCC2)C1 ZINC000311689014 374253491 /nfs/dbraw/zinc/25/34/91/374253491.db2.gz OICRILGQQDFCTL-CVEARBPZSA-N 1 3 262.441 3.172 20 0 CGADHO COc1ccc(F)cc1[C@H](C)N[C@@H](C)CCCC[NH3+] ZINC000311965232 374264076 /nfs/dbraw/zinc/26/40/76/374264076.db2.gz LXOMPHHLMZAWNS-RYUDHWBXSA-N 1 3 268.376 3.002 20 0 CGADHO C[C@@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC000311237116 374237655 /nfs/dbraw/zinc/23/76/55/374237655.db2.gz WXGXVTZXHNNYKQ-IIAWOOMASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000311237116 374237663 /nfs/dbraw/zinc/23/76/63/374237663.db2.gz WXGXVTZXHNNYKQ-IIAWOOMASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)[C@@H]1C ZINC000311237116 374237666 /nfs/dbraw/zinc/23/76/66/374237666.db2.gz WXGXVTZXHNNYKQ-IIAWOOMASA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCCC1 ZINC000313430995 374302321 /nfs/dbraw/zinc/30/23/21/374302321.db2.gz QPFVWUFUJRMEBR-MRXNPFEDSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192434 374385013 /nfs/dbraw/zinc/38/50/13/374385013.db2.gz CPORKUXKBBVSLK-RBSFLKMASA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1Cc2ccccc21 ZINC000093515610 541982590 /nfs/dbraw/zinc/98/25/90/541982590.db2.gz VDDVOGCAOAQEIX-HYVNUMGLSA-N 1 3 272.436 3.227 20 0 CGADHO CC(C)CCOCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665640 374707679 /nfs/dbraw/zinc/70/76/79/374707679.db2.gz YCRANBHYMBVRJJ-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665640 374707684 /nfs/dbraw/zinc/70/76/84/374707684.db2.gz YCRANBHYMBVRJJ-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185665640 374707691 /nfs/dbraw/zinc/70/76/91/374707691.db2.gz YCRANBHYMBVRJJ-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO c1ccc(C2(NC[C@@H]3CCC[NH2+]C3)CCCCC2)cc1 ZINC000469979267 374994687 /nfs/dbraw/zinc/99/46/87/374994687.db2.gz UDVFEWSLDGAJHB-MRXNPFEDSA-N 1 3 272.436 3.435 20 0 CGADHO c1ccc(C2([NH2+]C[C@@H]3CCCNC3)CCCCC2)cc1 ZINC000469979267 374994694 /nfs/dbraw/zinc/99/46/94/374994694.db2.gz UDVFEWSLDGAJHB-MRXNPFEDSA-N 1 3 272.436 3.435 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000472581689 375027056 /nfs/dbraw/zinc/02/70/56/375027056.db2.gz OVBZIOPSABKHGN-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC2(C1)CCCCC2 ZINC000472581689 375027059 /nfs/dbraw/zinc/02/70/59/375027059.db2.gz OVBZIOPSABKHGN-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO CC[NH+](CC)CCCN1CCC2(C1)CCCCC2 ZINC000472581689 375027063 /nfs/dbraw/zinc/02/70/63/375027063.db2.gz OVBZIOPSABKHGN-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO c1cc(C[NH2+]C2CCC3(CC3)CC2)cc2c1CNC2 ZINC000335064867 375101688 /nfs/dbraw/zinc/10/16/88/375101688.db2.gz WOZZGPHJAHTCNX-UHFFFAOYSA-N 1 3 256.393 3.102 20 0 CGADHO Cc1sccc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000334943569 375046077 /nfs/dbraw/zinc/04/60/77/375046077.db2.gz SEAMDIHYWROBJE-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO Cc1sccc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000334943569 375046083 /nfs/dbraw/zinc/04/60/83/375046083.db2.gz SEAMDIHYWROBJE-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO Cc1sccc1CN1CCCC12CC[NH+](C)CC2 ZINC000334943569 375046087 /nfs/dbraw/zinc/04/60/87/375046087.db2.gz SEAMDIHYWROBJE-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ccsc1Cl ZINC000335234696 375251665 /nfs/dbraw/zinc/25/16/65/375251665.db2.gz XSALNTYYCPUUSV-LRSDLPTKSA-N 1 3 270.829 3.007 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](C)CN(C)C ZINC000491597536 375336920 /nfs/dbraw/zinc/33/69/20/375336920.db2.gz WKUIZWUILQMARO-NSHDSACASA-N 1 3 288.357 3.301 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000502415241 375644493 /nfs/dbraw/zinc/64/44/93/375644493.db2.gz LWFKMVDBXSJIQF-SQNIBIBYSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@@H]([N@H+](C)Cc1cccc2c1CCNC2)C(C)(C)C ZINC000123944460 542029943 /nfs/dbraw/zinc/02/99/43/542029943.db2.gz AGVGPDJRVDJYIL-CYBMUJFWSA-N 1 3 260.425 3.199 20 0 CGADHO C[C@@H]([N@@H+](C)Cc1cccc2c1CCNC2)C(C)(C)C ZINC000123944460 542029946 /nfs/dbraw/zinc/02/99/46/542029946.db2.gz AGVGPDJRVDJYIL-CYBMUJFWSA-N 1 3 260.425 3.199 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000123893683 542030189 /nfs/dbraw/zinc/03/01/89/542030189.db2.gz GTGHDNYLNNTBGA-INIZCTEOSA-N 1 3 258.409 3.097 20 0 CGADHO CC[C@H]1CCCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000123893683 542030194 /nfs/dbraw/zinc/03/01/94/542030194.db2.gz GTGHDNYLNNTBGA-INIZCTEOSA-N 1 3 258.409 3.097 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000334267631 206282342 /nfs/dbraw/zinc/28/23/42/206282342.db2.gz OBCKDFMKJQWKNM-CJNGLKHVSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC3CCC3)CC2)C1 ZINC000334267631 206282344 /nfs/dbraw/zinc/28/23/44/206282344.db2.gz OBCKDFMKJQWKNM-CJNGLKHVSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000507524709 375711851 /nfs/dbraw/zinc/71/18/51/375711851.db2.gz JSWFPWAKWBRCDX-HUUCEWRRSA-N 1 3 252.446 3.299 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000192922781 375803408 /nfs/dbraw/zinc/80/34/08/375803408.db2.gz PTOFNQWAPOAKSM-FUHWJXTLSA-N 1 3 295.430 3.254 20 0 CGADHO FCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000336657313 375896530 /nfs/dbraw/zinc/89/65/30/375896530.db2.gz QAICRMCYWPZYHG-FGTMMUONSA-N 1 3 290.426 3.236 20 0 CGADHO Cc1nc(CCN2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000534317168 375970200 /nfs/dbraw/zinc/97/02/00/375970200.db2.gz ZMBDDEZCBNVJJE-UHFFFAOYSA-N 1 3 295.496 3.046 20 0 CGADHO Cc1nc(CCN2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000534317168 375970203 /nfs/dbraw/zinc/97/02/03/375970203.db2.gz ZMBDDEZCBNVJJE-UHFFFAOYSA-N 1 3 295.496 3.046 20 0 CGADHO CSC1(C[NH2+]CCCN2CCCC[C@H]2C)CCC1 ZINC000336786347 375936528 /nfs/dbraw/zinc/93/65/28/375936528.db2.gz HSMROGCLOFWRFF-CQSZACIVSA-N 1 3 270.486 3.126 20 0 CGADHO C1CCC2(C1)CCC[C@H]2[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000336886061 376018862 /nfs/dbraw/zinc/01/88/62/376018862.db2.gz BJBQPURLGJEFNP-BZUAXINKSA-N 1 3 262.441 3.316 20 0 CGADHO C1=CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000224150823 376271576 /nfs/dbraw/zinc/27/15/76/376271576.db2.gz VZAILKVYXCQZGU-VVLHAWIVSA-N 1 3 262.441 3.243 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000539049818 376287721 /nfs/dbraw/zinc/28/77/21/376287721.db2.gz ZDDQNKQWCIZOKQ-WMZOPIPTSA-N 1 3 296.499 3.149 20 0 CGADHO Cc1ccc(C)c([C@@H](C)N(C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000226438819 376359307 /nfs/dbraw/zinc/35/93/07/376359307.db2.gz WYJQVWFXOYHXAC-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CCCNC2)c1 ZINC000226438819 376359313 /nfs/dbraw/zinc/35/93/13/376359313.db2.gz WYJQVWFXOYHXAC-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCCNC2)c1 ZINC000226438819 376359319 /nfs/dbraw/zinc/35/93/19/376359319.db2.gz WYJQVWFXOYHXAC-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)C1(C)C ZINC000540607969 376386298 /nfs/dbraw/zinc/38/62/98/376386298.db2.gz PQZZFVXUCZZASM-IXDOHACOSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)C1(C)C ZINC000540607969 376386307 /nfs/dbraw/zinc/38/63/07/376386307.db2.gz PQZZFVXUCZZASM-IXDOHACOSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1(C)C ZINC000540607969 376386315 /nfs/dbraw/zinc/38/63/15/376386315.db2.gz PQZZFVXUCZZASM-IXDOHACOSA-N 1 3 296.499 3.148 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cccc(F)c1F ZINC000227497768 376394967 /nfs/dbraw/zinc/39/49/67/376394967.db2.gz MCMTZMBLMHNKDX-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1cc([C@@H](C)NCCC2CC[NH+](C)CC2)c(C)o1 ZINC000229937362 376478735 /nfs/dbraw/zinc/47/87/35/376478735.db2.gz IKRSNKGCLZGRDT-CYBMUJFWSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1oc2ccccc2c1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229061400 376457530 /nfs/dbraw/zinc/45/75/30/376457530.db2.gz CSJIBBNSNCVVJZ-OCCSQVGLSA-N 1 3 272.392 3.158 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000230411777 376517551 /nfs/dbraw/zinc/51/75/51/376517551.db2.gz JEXSLKGZJSKYCL-HUUCEWRRSA-N 1 3 273.424 3.076 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC000334317326 206358265 /nfs/dbraw/zinc/35/82/65/206358265.db2.gz UTHXFBQFJGLFSN-NEPJUHHUSA-N 1 3 260.406 3.070 20 0 CGADHO CCc1ccc(CN2CCC(C[NH+](CC)CC)CC2)nc1 ZINC000338912674 376569915 /nfs/dbraw/zinc/56/99/15/376569915.db2.gz QEZXBSUJFLZJLJ-UHFFFAOYSA-N 1 3 289.467 3.198 20 0 CGADHO CC(C)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000232548117 376583431 /nfs/dbraw/zinc/58/34/31/376583431.db2.gz JCGRJBWBNQETSB-UHFFFAOYSA-N 1 3 273.424 3.076 20 0 CGADHO Cc1ccc(OCCCN(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000234290827 376615741 /nfs/dbraw/zinc/61/57/41/376615741.db2.gz GSKXIHUPXSIDEX-KRWDZBQOSA-N 1 3 290.451 3.146 20 0 CGADHO C(C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000339006893 376626395 /nfs/dbraw/zinc/62/63/95/376626395.db2.gz GLWWZOGORJMDRN-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO C(C1CCCC1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000339006893 376626403 /nfs/dbraw/zinc/62/64/03/376626403.db2.gz GLWWZOGORJMDRN-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236608135 376672700 /nfs/dbraw/zinc/67/27/00/376672700.db2.gz XLFMWJRMWAEADT-HNNXBMFYSA-N 1 3 285.435 3.378 20 0 CGADHO CCCc1cc(NCC2=CC[N@H+](C)CC2)c2ccccc2n1 ZINC000544846669 376765801 /nfs/dbraw/zinc/76/58/01/376765801.db2.gz FDYPXCNIBIIMAV-UHFFFAOYSA-N 1 3 295.430 3.283 20 0 CGADHO CCCc1cc(NCC2=CC[N@@H+](C)CC2)c2ccccc2n1 ZINC000544846669 376765812 /nfs/dbraw/zinc/76/58/12/376765812.db2.gz FDYPXCNIBIIMAV-UHFFFAOYSA-N 1 3 295.430 3.283 20 0 CGADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000245632712 376872418 /nfs/dbraw/zinc/87/24/18/376872418.db2.gz VSOHGPYEPZLRHX-IXDOHACOSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000245632712 376872425 /nfs/dbraw/zinc/87/24/25/376872425.db2.gz VSOHGPYEPZLRHX-IXDOHACOSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000557259807 376926123 /nfs/dbraw/zinc/92/61/23/376926123.db2.gz JKUSHDYRQACIEL-MAUKXSAKSA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000557259807 376926132 /nfs/dbraw/zinc/92/61/32/376926132.db2.gz JKUSHDYRQACIEL-MAUKXSAKSA-N 1 3 290.451 3.119 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000558229197 376985304 /nfs/dbraw/zinc/98/53/04/376985304.db2.gz XLPXMPHULFIEAZ-ROUUACIJSA-N 1 3 276.468 3.419 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246918440 377119354 /nfs/dbraw/zinc/11/93/54/377119354.db2.gz GHIKIELIIQGJPV-CABCVRRESA-N 1 3 282.472 3.043 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246825888 377097841 /nfs/dbraw/zinc/09/78/41/377097841.db2.gz AVLUKLVFLYIXOH-BVIKNXMNSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246825888 377097849 /nfs/dbraw/zinc/09/78/49/377097849.db2.gz AVLUKLVFLYIXOH-BVIKNXMNSA-N 1 3 290.451 3.081 20 0 CGADHO C1=C[C@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792668 377099098 /nfs/dbraw/zinc/09/90/98/377099098.db2.gz DXPYUMQOVATTKA-IRXDYDNUSA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@H]([N@@H+]2CC[C@@H](CN3CCCC3)C2)CCCCC1 ZINC000559792668 377099111 /nfs/dbraw/zinc/09/91/11/377099111.db2.gz DXPYUMQOVATTKA-IRXDYDNUSA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@H]([N@H+]2CC[C@@H](CN3CCCC3)C2)CCCCC1 ZINC000559792668 377099126 /nfs/dbraw/zinc/09/91/26/377099126.db2.gz DXPYUMQOVATTKA-IRXDYDNUSA-N 1 3 262.441 3.293 20 0 CGADHO CN(CC1CC[NH+](C)CC1)c1ccnc2ccccc21 ZINC000264754470 190132705 /nfs/dbraw/zinc/13/27/05/190132705.db2.gz MOBCZAMXKVIHAG-UHFFFAOYSA-N 1 3 269.392 3.013 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3sccc32)[C@@H](C)C1 ZINC000246955935 377127157 /nfs/dbraw/zinc/12/71/57/377127157.db2.gz HPKOHOORHOCNHI-AEGPPILISA-N 1 3 278.465 3.445 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3sccc32)[C@@H](C)C1 ZINC000246955935 377127161 /nfs/dbraw/zinc/12/71/61/377127161.db2.gz HPKOHOORHOCNHI-AEGPPILISA-N 1 3 278.465 3.445 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000247039846 377145475 /nfs/dbraw/zinc/14/54/75/377145475.db2.gz MRCDVZZCZFYTKY-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560525560 377163218 /nfs/dbraw/zinc/16/32/18/377163218.db2.gz QGYMTZBUKXGZIB-KZNAEPCWSA-N 1 3 272.436 3.211 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560525560 377163221 /nfs/dbraw/zinc/16/32/21/377163221.db2.gz QGYMTZBUKXGZIB-KZNAEPCWSA-N 1 3 272.436 3.211 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]2CCC[C@H]21 ZINC000560521863 377163577 /nfs/dbraw/zinc/16/35/77/377163577.db2.gz GXJMSZIROJUDKX-YESZJQIVSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H]2CCC[C@@H]21 ZINC000560521858 377163612 /nfs/dbraw/zinc/16/36/12/377163612.db2.gz GXJMSZIROJUDKX-IKGGRYGDSA-N 1 3 284.403 3.395 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000247169870 377169033 /nfs/dbraw/zinc/16/90/33/377169033.db2.gz RCPBMJNOLQNNRD-SWLSCSKDSA-N 1 3 298.377 3.108 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000247527174 377218761 /nfs/dbraw/zinc/21/87/61/377218761.db2.gz NXEYZKHULFSHBM-IRXDYDNUSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000247527174 377218768 /nfs/dbraw/zinc/21/87/68/377218768.db2.gz NXEYZKHULFSHBM-IRXDYDNUSA-N 1 3 272.436 3.474 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127671 377268755 /nfs/dbraw/zinc/26/87/55/377268755.db2.gz OCNQVJOUPGPVTC-BHIYHBOVSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127671 377268758 /nfs/dbraw/zinc/26/87/58/377268758.db2.gz OCNQVJOUPGPVTC-BHIYHBOVSA-N 1 3 284.447 3.480 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000247978302 377252346 /nfs/dbraw/zinc/25/23/46/377252346.db2.gz IAUWAJQRCDQRFA-CPUCHLNUSA-N 1 3 272.436 3.481 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000247978302 377252358 /nfs/dbraw/zinc/25/23/58/377252358.db2.gz IAUWAJQRCDQRFA-CPUCHLNUSA-N 1 3 272.436 3.481 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000247978305 377252440 /nfs/dbraw/zinc/25/24/40/377252440.db2.gz IAUWAJQRCDQRFA-KEYYUXOJSA-N 1 3 272.436 3.481 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000247978305 377252449 /nfs/dbraw/zinc/25/24/49/377252449.db2.gz IAUWAJQRCDQRFA-KEYYUXOJSA-N 1 3 272.436 3.481 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385645 377497573 /nfs/dbraw/zinc/49/75/73/377497573.db2.gz ZZANQGZMDPWTOW-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385645 377497577 /nfs/dbraw/zinc/49/75/77/377497577.db2.gz ZZANQGZMDPWTOW-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000249385645 377497586 /nfs/dbraw/zinc/49/75/86/377497586.db2.gz ZZANQGZMDPWTOW-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cc(F)ccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381178 249032728 /nfs/dbraw/zinc/03/27/28/249032728.db2.gz KQGZPYMCCJVSAS-UHFFFAOYSA-N 1 3 278.415 3.298 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000037644010 249002811 /nfs/dbraw/zinc/00/28/11/249002811.db2.gz QEFLFZLNDXKJLO-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCCc3ccccc32)C1 ZINC000037644010 249002812 /nfs/dbraw/zinc/00/28/12/249002812.db2.gz QEFLFZLNDXKJLO-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCCc3ccccc32)C1 ZINC000037644010 249002815 /nfs/dbraw/zinc/00/28/15/249002815.db2.gz QEFLFZLNDXKJLO-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000166773106 542175275 /nfs/dbraw/zinc/17/52/75/542175275.db2.gz MNHZRKXYUGPOJZ-WCXIOVBPSA-N 1 3 294.483 3.187 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000166773106 542175281 /nfs/dbraw/zinc/17/52/81/542175281.db2.gz MNHZRKXYUGPOJZ-WCXIOVBPSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOCC1CCCC1 ZINC000313272770 249090348 /nfs/dbraw/zinc/09/03/48/249090348.db2.gz RCCAWXCZEKUKHX-WBVHZDCISA-N 1 3 282.472 3.094 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000469858121 249160562 /nfs/dbraw/zinc/16/05/62/249160562.db2.gz BFJWRIVUJPHFRW-USXIJHARSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000469858121 249160566 /nfs/dbraw/zinc/16/05/66/249160566.db2.gz BFJWRIVUJPHFRW-USXIJHARSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[N@H+](CCCN(C)C)CC1=Cc2ccccc2OC1 ZINC000573672442 377560948 /nfs/dbraw/zinc/56/09/48/377560948.db2.gz HORBJQZFCJDVIT-UHFFFAOYSA-N 1 3 288.435 3.126 20 0 CGADHO CCC[N@@H+](CCCN(C)C)CC1=Cc2ccccc2OC1 ZINC000573672442 377560955 /nfs/dbraw/zinc/56/09/55/377560955.db2.gz HORBJQZFCJDVIT-UHFFFAOYSA-N 1 3 288.435 3.126 20 0 CGADHO Fc1ccc(/C=C/CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000470015583 249165946 /nfs/dbraw/zinc/16/59/46/249165946.db2.gz OPIFDSICYKMXGB-DCKQQPRJSA-N 1 3 288.410 3.303 20 0 CGADHO C[C@H]1C[C@H](N)CC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000516781247 249243933 /nfs/dbraw/zinc/24/39/33/249243933.db2.gz DXHWDZFNASJBSV-KBXCAEBGSA-N 1 3 268.404 3.194 20 0 CGADHO C[C@H]1C[C@H](N)CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781247 249243935 /nfs/dbraw/zinc/24/39/35/249243935.db2.gz DXHWDZFNASJBSV-KBXCAEBGSA-N 1 3 268.404 3.194 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000516340739 249231739 /nfs/dbraw/zinc/23/17/39/249231739.db2.gz VDZUMLVGVZCLKD-IUODEOHRSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000516340739 249231741 /nfs/dbraw/zinc/23/17/41/249231741.db2.gz VDZUMLVGVZCLKD-IUODEOHRSA-N 1 3 283.419 3.168 20 0 CGADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN(CC)C2)c1 ZINC000575064701 377743975 /nfs/dbraw/zinc/74/39/75/377743975.db2.gz KEWRBLMZXJLURN-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO [NH3+]C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000261609486 377826527 /nfs/dbraw/zinc/82/65/27/377826527.db2.gz BRUBWJWBKBCAHE-AEFFLSMTSA-N 1 3 284.378 3.000 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc3nc(C)sc3c2)CC1 ZINC000261949773 377871554 /nfs/dbraw/zinc/87/15/54/377871554.db2.gz NUQOPKUBBLAVJW-UHFFFAOYSA-N 1 3 289.448 3.036 20 0 CGADHO CCCOc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000575935960 378001437 /nfs/dbraw/zinc/00/14/37/378001437.db2.gz WOXXOPSWDYOIPW-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO CCCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000575935960 378001441 /nfs/dbraw/zinc/00/14/41/378001441.db2.gz WOXXOPSWDYOIPW-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1cccs1 ZINC000578443237 378069678 /nfs/dbraw/zinc/06/96/78/378069678.db2.gz DVHLMZOXPMZQEN-AWEZNQCLSA-N 1 3 260.406 3.448 20 0 CGADHO CCN(CCc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000345208208 378223679 /nfs/dbraw/zinc/22/36/79/378223679.db2.gz PMAUHECOPMYEJT-CYBMUJFWSA-N 1 3 298.833 3.486 20 0 CGADHO CN1CC=C(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000345180695 378215850 /nfs/dbraw/zinc/21/58/50/378215850.db2.gz CFZIRPLKAIYMPW-UHFFFAOYSA-N 1 3 293.414 3.100 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](Cc1ccc(F)cc1)C(C)C ZINC000579580864 378172588 /nfs/dbraw/zinc/17/25/88/378172588.db2.gz UEIIVSLJBQFFGA-QGZVFWFLSA-N 1 3 280.431 3.371 20 0 CGADHO CC(C)NCCC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000579580864 378172592 /nfs/dbraw/zinc/17/25/92/378172592.db2.gz UEIIVSLJBQFFGA-QGZVFWFLSA-N 1 3 280.431 3.371 20 0 CGADHO CC(C)Oc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000582116338 378286921 /nfs/dbraw/zinc/28/69/21/378286921.db2.gz WULZRPHDUKDWTR-MSOLQXFVSA-N 1 3 290.451 3.266 20 0 CGADHO C[NH+]1CCC([C@@H]2CCN(c3ccnc4ccccc43)C2)CC1 ZINC000270253812 378326645 /nfs/dbraw/zinc/32/66/45/378326645.db2.gz YNXXMEPAVVWUIC-MRXNPFEDSA-N 1 3 295.430 3.403 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583747205 378343465 /nfs/dbraw/zinc/34/34/65/378343465.db2.gz PBMULUPVWSIYCR-XOKHGSTOSA-N 1 3 288.435 3.042 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)c1C ZINC000271811112 378505862 /nfs/dbraw/zinc/50/58/62/378505862.db2.gz AURMGRXDZNXLLL-OAHLLOKOSA-N 1 3 258.409 3.216 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000271912248 378514684 /nfs/dbraw/zinc/51/46/84/378514684.db2.gz YCTJJKJFWRKREW-MSOLQXFVSA-N 1 3 288.410 3.313 20 0 CGADHO C(CC1CCOCC1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000638454760 378810154 /nfs/dbraw/zinc/81/01/54/378810154.db2.gz OBLHKUADPDZADW-UHFFFAOYSA-N 1 3 294.483 3.047 20 0 CGADHO CC(C)(C)N(Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346821476 218025037 /nfs/dbraw/zinc/02/50/37/218025037.db2.gz AELAUFNOHNJSLW-HNNXBMFYSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCNC1 ZINC000346821476 218025039 /nfs/dbraw/zinc/02/50/39/218025039.db2.gz AELAUFNOHNJSLW-HNNXBMFYSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCNC1 ZINC000346821476 218025043 /nfs/dbraw/zinc/02/50/43/218025043.db2.gz AELAUFNOHNJSLW-HNNXBMFYSA-N 1 3 278.415 3.426 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4ccccc4s3)C[C@@H]12 ZINC000346829869 218029493 /nfs/dbraw/zinc/02/94/93/218029493.db2.gz OEJOMPLHXLFICF-BPLDGKMQSA-N 1 3 272.417 3.070 20 0 CGADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000378546413 284723146 /nfs/dbraw/zinc/72/31/46/284723146.db2.gz DWJJNEWHNJCNNM-RDJZCZTQSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCCN1CCCCC1 ZINC000348249333 378863938 /nfs/dbraw/zinc/86/39/38/378863938.db2.gz WPPKFIHLIQUWHF-CHWSQXEVSA-N 1 3 278.362 3.135 20 0 CGADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCN1CCCCC1 ZINC000348249333 378863943 /nfs/dbraw/zinc/86/39/43/378863943.db2.gz WPPKFIHLIQUWHF-CHWSQXEVSA-N 1 3 278.362 3.135 20 0 CGADHO CO[C@H](C[NH2+]Cc1cccc(CN(C)C)c1)C1CCCC1 ZINC000638849921 378936292 /nfs/dbraw/zinc/93/62/92/378936292.db2.gz DHKPEFGXVARWMS-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000347016833 218093475 /nfs/dbraw/zinc/09/34/75/218093475.db2.gz ZFLGLNOCRXUWFX-FMKPAKJESA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCCNC1 ZINC000347016833 218093477 /nfs/dbraw/zinc/09/34/77/218093477.db2.gz ZFLGLNOCRXUWFX-FMKPAKJESA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@@H]1CCC[NH2+]C1 ZINC000347016833 218093480 /nfs/dbraw/zinc/09/34/80/218093480.db2.gz ZFLGLNOCRXUWFX-FMKPAKJESA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000235232019 296285255 /nfs/dbraw/zinc/28/52/55/296285255.db2.gz RLWCQXKPXVKLEP-TUVASFSCSA-N 1 3 250.430 3.028 20 0 CGADHO CCCCOc1ccccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000347213252 218156097 /nfs/dbraw/zinc/15/60/97/218156097.db2.gz PIQADSHXMBUZTF-OAHLLOKOSA-N 1 3 290.451 3.425 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H](N(C)C)CC2)cc1C ZINC000277061140 379058354 /nfs/dbraw/zinc/05/83/54/379058354.db2.gz DCYQYDJZTFWBJS-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H](N(C)C)CC2)cc1C ZINC000277061140 379058361 /nfs/dbraw/zinc/05/83/61/379058361.db2.gz DCYQYDJZTFWBJS-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCCc2ccccc2)CC1 ZINC000277096847 379067199 /nfs/dbraw/zinc/06/71/99/379067199.db2.gz GGRVJNZIMFSGTN-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC000277096847 379067211 /nfs/dbraw/zinc/06/72/11/379067211.db2.gz GGRVJNZIMFSGTN-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCCCc2ccccc2)CC1 ZINC000277096847 379067219 /nfs/dbraw/zinc/06/72/19/379067219.db2.gz GGRVJNZIMFSGTN-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(C)ccc1OC ZINC000349346849 379240459 /nfs/dbraw/zinc/24/04/59/379240459.db2.gz LCVBKKXVPJHAIK-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(C)ccc1OC ZINC000349346849 379240461 /nfs/dbraw/zinc/24/04/61/379240461.db2.gz LCVBKKXVPJHAIK-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534013 379456906 /nfs/dbraw/zinc/45/69/06/379456906.db2.gz SVSMNVFEZJGMPI-KDOFPFPSSA-N 1 3 289.467 3.169 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534013 379456912 /nfs/dbraw/zinc/45/69/12/379456912.db2.gz SVSMNVFEZJGMPI-KDOFPFPSSA-N 1 3 289.467 3.169 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000279851679 379534282 /nfs/dbraw/zinc/53/42/82/379534282.db2.gz RVZDCWZZOOCCTN-QGZVFWFLSA-N 1 3 276.399 3.277 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682605 379545030 /nfs/dbraw/zinc/54/50/30/379545030.db2.gz ZIJJIQYAMDUKTP-HNNXBMFYSA-N 1 3 299.393 3.494 20 0 CGADHO CC1(F)CCN(C/C=C/C[NH+]2CCC(C)(F)CC2)CC1 ZINC000640071873 379711856 /nfs/dbraw/zinc/71/18/56/379711856.db2.gz SUXDKCCPVKUNDT-ONEGZZNKSA-N 1 3 286.410 3.191 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392214199 379911713 /nfs/dbraw/zinc/91/17/13/379911713.db2.gz UGDRHWZHYKGDSF-JKSUJKDBSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)[NH+](CCCN[C@H](C)Cc1ccc(O)cc1)C(C)C ZINC000352660859 379898278 /nfs/dbraw/zinc/89/82/78/379898278.db2.gz PRGURGYNDDEQPJ-MRXNPFEDSA-N 1 3 292.467 3.422 20 0 CGADHO CC[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402710547 379971588 /nfs/dbraw/zinc/97/15/88/379971588.db2.gz ULLPAICRKOFUBK-SDDRHHMPSA-N 1 3 266.351 3.085 20 0 CGADHO [NH3+]C1(CN[C@H]2CCCc3ccccc3C2)CCCCC1 ZINC000643496679 380320546 /nfs/dbraw/zinc/32/05/46/380320546.db2.gz WFQDJZINQWLOOA-KRWDZBQOSA-N 1 3 272.436 3.185 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000643512466 380334344 /nfs/dbraw/zinc/33/43/44/380334344.db2.gz ZLHAWGUAPIUFDI-ATLSCFEFSA-N 1 3 287.451 3.215 20 0 CGADHO CCCc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521541 380335140 /nfs/dbraw/zinc/33/51/40/380335140.db2.gz PKQGUODOWBFHMK-WMLDXEAASA-N 1 3 260.425 3.432 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000572014752 322315958 /nfs/dbraw/zinc/31/59/58/322315958.db2.gz AAJMSUKXLGLHNE-BNOWGMLFSA-N 1 3 250.361 3.055 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](N)C1CC1 ZINC000643516643 380335690 /nfs/dbraw/zinc/33/56/90/380335690.db2.gz DKHQCZUUUFOWSP-WBVHZDCISA-N 1 3 283.419 3.181 20 0 CGADHO Cc1ccc(CCC[NH2+][C@H]2CCNCC[C@H]2C)c(C)c1 ZINC000643457079 380308321 /nfs/dbraw/zinc/30/83/21/380308321.db2.gz PJPQNRSIVXSNDV-QAPCUYQASA-N 1 3 274.452 3.214 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(-c2ccccc2)cc1 ZINC000643467713 380315841 /nfs/dbraw/zinc/31/58/41/380315841.db2.gz WZRBGULHFKXRFI-OALUTQOASA-N 1 3 280.415 3.366 20 0 CGADHO FC(F)C1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000643547995 380363623 /nfs/dbraw/zinc/36/36/23/380363623.db2.gz LOTBPTXUNVLYFB-BPCQOVAHSA-N 1 3 272.383 3.075 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548736 380364697 /nfs/dbraw/zinc/36/46/97/380364697.db2.gz UIWQIYOFKNEZCE-OWCLPIDISA-N 1 3 294.483 3.235 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548736 380364704 /nfs/dbraw/zinc/36/47/04/380364704.db2.gz UIWQIYOFKNEZCE-OWCLPIDISA-N 1 3 294.483 3.235 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]C3(CCC3)C1)[C@@H](C)C2 ZINC000643548544 380364866 /nfs/dbraw/zinc/36/48/66/380364866.db2.gz QOWJHKSHBZYEQZ-QILLFSRXSA-N 1 3 284.447 3.493 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)[C@@H](C)C2 ZINC000643548544 380364871 /nfs/dbraw/zinc/36/48/71/380364871.db2.gz QOWJHKSHBZYEQZ-QILLFSRXSA-N 1 3 284.447 3.493 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000414768418 380396008 /nfs/dbraw/zinc/39/60/08/380396008.db2.gz VAPPQUXJLDEGAI-FHWLQOOXSA-N 1 3 284.447 3.182 20 0 CGADHO CC[N@H+](C[C@H](C)Cc1ccccc1)[C@@H]1CCCNCC1 ZINC000414713459 380384874 /nfs/dbraw/zinc/38/48/74/380384874.db2.gz KQHJRFKZDAXERK-SJLPKXTDSA-N 1 3 274.452 3.329 20 0 CGADHO CC[N@@H+](C[C@H](C)Cc1ccccc1)[C@@H]1CCCNCC1 ZINC000414713459 380384878 /nfs/dbraw/zinc/38/48/78/380384878.db2.gz KQHJRFKZDAXERK-SJLPKXTDSA-N 1 3 274.452 3.329 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+][C@H]2CCCNCC2)C(C)C)cc1 ZINC000643523250 380339905 /nfs/dbraw/zinc/33/99/05/380339905.db2.gz YLVJFWFTHATPLO-ZWKOTPCHSA-N 1 3 274.452 3.294 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)N)c1ccc2cc(OC)ccc2c1 ZINC000643526224 380342158 /nfs/dbraw/zinc/34/21/58/380342158.db2.gz VGNXSEAEPMPABZ-YVEFUNNKSA-N 1 3 272.392 3.236 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000643528729 380344715 /nfs/dbraw/zinc/34/47/15/380344715.db2.gz NQBDNLMOFSSNQK-NXEZZACHSA-N 1 3 292.370 3.339 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000643528194 380345129 /nfs/dbraw/zinc/34/51/29/380345129.db2.gz FIZGANQYMSLDOX-HUUCEWRRSA-N 1 3 284.403 3.263 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529078 380347087 /nfs/dbraw/zinc/34/70/87/380347087.db2.gz ULKHSGAZLNRTNO-DGCLKSJQSA-N 1 3 287.432 3.124 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000643534531 380349327 /nfs/dbraw/zinc/34/93/27/380349327.db2.gz XIWGSVWTWXFQMK-KOLCDFICSA-N 1 3 270.829 3.194 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1csc(Cl)c1 ZINC000643534905 380351131 /nfs/dbraw/zinc/35/11/31/380351131.db2.gz FMVRMUNECBQNIN-MWLCHTKSSA-N 1 3 270.829 3.194 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643536496 380351976 /nfs/dbraw/zinc/35/19/76/380351976.db2.gz UKAWMFPPVRJLOZ-GOSISDBHSA-N 1 3 290.410 3.488 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000643537116 380354582 /nfs/dbraw/zinc/35/45/82/380354582.db2.gz ZLSSSVMVWUBQFH-HIFRSBDPSA-N 1 3 274.408 3.025 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(OC)c1 ZINC000643545828 380357645 /nfs/dbraw/zinc/35/76/45/380357645.db2.gz CVWUNRWPISXVGL-DOTOQJQBSA-N 1 3 288.435 3.411 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000414812611 380423849 /nfs/dbraw/zinc/42/38/49/380423849.db2.gz XNTBUKCWFBQIES-HYVNUMGLSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)Oc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414813439 380424032 /nfs/dbraw/zinc/42/40/32/380424032.db2.gz YJDCFXBITAJPCA-NVXWUHKLSA-N 1 3 276.424 3.081 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414819013 380429606 /nfs/dbraw/zinc/42/96/06/380429606.db2.gz GKOJWQLPXGEZOE-XIRDDKMYSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[C@H](C)N ZINC000414818174 380430911 /nfs/dbraw/zinc/43/09/11/380430911.db2.gz DBLFDOLNGBYNFE-VHSXEESVSA-N 1 3 260.834 3.050 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NCC[C@H](C)[NH3+] ZINC000414818174 380430912 /nfs/dbraw/zinc/43/09/12/380430912.db2.gz DBLFDOLNGBYNFE-VHSXEESVSA-N 1 3 260.834 3.050 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414824014 380434387 /nfs/dbraw/zinc/43/43/87/380434387.db2.gz FJLAWTNEZXQKSA-CIQAELJKSA-N 1 3 270.420 3.195 20 0 CGADHO Clc1ccc(Cl)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414853665 380455460 /nfs/dbraw/zinc/45/54/60/380455460.db2.gz SKRYLWHMMBQQNE-NSHDSACASA-N 1 3 287.234 3.473 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000414914576 380488229 /nfs/dbraw/zinc/48/82/29/380488229.db2.gz KTAUYPSEHOIBMU-DOTOQJQBSA-N 1 3 274.452 3.475 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918947 380489890 /nfs/dbraw/zinc/48/98/90/380489890.db2.gz VPKZFQPVBQNTQX-PBHICJAKSA-N 1 3 278.415 3.126 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@H]1CCCNCC1 ZINC000414918584 380490303 /nfs/dbraw/zinc/49/03/03/380490303.db2.gz SIMVWWIMTYJMEI-ZBFHGGJFSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H](CCC(F)(F)F)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414932083 380493805 /nfs/dbraw/zinc/49/38/05/380493805.db2.gz SGCLYFGOPBTNGX-QWRGUYRKSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@@H](C[NH3+])NCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414943783 380500349 /nfs/dbraw/zinc/50/03/49/380500349.db2.gz MRBDNBHEPDILOT-LBPRGKRZSA-N 1 3 290.357 3.034 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)C(C)(C)c1ccccc1 ZINC000415090571 380507196 /nfs/dbraw/zinc/50/71/96/380507196.db2.gz YAZYZHBTZTVUAS-INMHGKMJSA-N 1 3 274.452 3.473 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116114 380508432 /nfs/dbraw/zinc/50/84/32/380508432.db2.gz VSDSAZYIBWZEKQ-OLZOCXBDSA-N 1 3 278.827 3.086 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000414861782 380461809 /nfs/dbraw/zinc/46/18/09/380461809.db2.gz WTZBOMKQEBJCHX-LVQVYYBASA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H](C)CN)cc1 ZINC000414876546 380470135 /nfs/dbraw/zinc/47/01/35/380470135.db2.gz LNIRHRNXBSBSJF-FHLIZLRMSA-N 1 3 290.451 3.294 20 0 CGADHO [NH3+][C@H](CNC(Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414889919 380475520 /nfs/dbraw/zinc/47/55/20/380475520.db2.gz LVXHYOLRVDABHU-HXUWFJFHSA-N 1 3 294.442 3.167 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CCCNC1 ZINC000414903441 380481401 /nfs/dbraw/zinc/48/14/01/380481401.db2.gz IKLAGNKQRPUYJI-BZSNNMDCSA-N 1 3 290.426 3.441 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414903614 380482865 /nfs/dbraw/zinc/48/28/65/380482865.db2.gz IQPROOKEXJSTSQ-UKRRQHHQSA-N 1 3 266.454 3.049 20 0 CGADHO CC(C)c1ncc(CNCC2(C)CC[NH+](C)CC2)s1 ZINC000355774616 380774044 /nfs/dbraw/zinc/77/40/44/380774044.db2.gz OPBQBAASWCLSDJ-UHFFFAOYSA-N 1 3 281.469 3.088 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CCCOC1 ZINC000356898407 380927833 /nfs/dbraw/zinc/92/78/33/380927833.db2.gz MYMJGYBYJCDTEZ-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CC[NH+]1CCC(NC[C@H]2SCCc3ccccc32)CC1 ZINC000360241159 381494481 /nfs/dbraw/zinc/49/44/81/381494481.db2.gz YRXIQHHRZABMGP-QGZVFWFLSA-N 1 3 290.476 3.091 20 0 CGADHO CCC1(CC)CN(CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000362247051 381919090 /nfs/dbraw/zinc/91/90/90/381919090.db2.gz YBHAEYPSDBMGHS-CQSZACIVSA-N 1 3 270.486 3.078 20 0 CGADHO CCC1(CC)CN(CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000362247051 381919094 /nfs/dbraw/zinc/91/90/94/381919094.db2.gz YBHAEYPSDBMGHS-CQSZACIVSA-N 1 3 270.486 3.078 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362925168 382150601 /nfs/dbraw/zinc/15/06/01/382150601.db2.gz RMQLPKWMENTNEV-GOEBONIOSA-N 1 3 289.398 3.269 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)[C@@H]2CCCC[C@@H]21 ZINC000363753345 382251834 /nfs/dbraw/zinc/25/18/34/382251834.db2.gz TUUOLNBHIBRQFE-ZOFXXKQRSA-N 1 3 276.468 3.418 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H]2CCCC[C@@H]21 ZINC000363753343 382251959 /nfs/dbraw/zinc/25/19/59/382251959.db2.gz TUUOLNBHIBRQFE-OVYGPGRDSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251610044 542347318 /nfs/dbraw/zinc/34/73/18/542347318.db2.gz CBZVJCKXIKEUJY-WCVJEAGWSA-N 1 3 250.430 3.172 20 0 CGADHO COC[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423279731 533087969 /nfs/dbraw/zinc/08/79/69/533087969.db2.gz SYLAISVQFFPKPZ-BBRMVZONSA-N 1 3 296.842 3.007 20 0 CGADHO COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000414055247 533109974 /nfs/dbraw/zinc/10/99/74/533109974.db2.gz CIQIJXDFPYHXAO-HUUCEWRRSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000414055247 533109977 /nfs/dbraw/zinc/10/99/77/533109977.db2.gz CIQIJXDFPYHXAO-HUUCEWRRSA-N 1 3 288.435 3.139 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Sc1ccccc1 ZINC000339070532 542485877 /nfs/dbraw/zinc/48/58/77/542485877.db2.gz ZKQTXPHIKHYLST-PMPSAXMXSA-N 1 3 290.476 3.384 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Sc1ccccc1 ZINC000339070532 542485881 /nfs/dbraw/zinc/48/58/81/542485881.db2.gz ZKQTXPHIKHYLST-PMPSAXMXSA-N 1 3 290.476 3.384 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)ccn1 ZINC000348064442 542512541 /nfs/dbraw/zinc/51/25/41/542512541.db2.gz ABWDYBAPMQVWKH-MSOLQXFVSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348077731 542514422 /nfs/dbraw/zinc/51/44/22/542514422.db2.gz DZAMDNMFNHGDKI-VNQPRFMTSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](CCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000348278085 542517435 /nfs/dbraw/zinc/51/74/35/542517435.db2.gz SXAFPFYSQJGINT-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000348278085 542517439 /nfs/dbraw/zinc/51/74/39/542517439.db2.gz SXAFPFYSQJGINT-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000348278085 542517442 /nfs/dbraw/zinc/51/74/42/542517442.db2.gz SXAFPFYSQJGINT-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000348278085 542517447 /nfs/dbraw/zinc/51/74/47/542517447.db2.gz SXAFPFYSQJGINT-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)CC2 ZINC000092837289 533289704 /nfs/dbraw/zinc/28/97/04/533289704.db2.gz AEOSSOJMWYBRAA-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](NC1(Cc2cccc(Cl)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000423167524 533327727 /nfs/dbraw/zinc/32/77/27/533327727.db2.gz WZORIBHXBDLSTL-OCCSQVGLSA-N 1 3 278.827 3.003 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H](C)[NH3+])C1(c2ccccc2)CCCC1 ZINC000423449751 533499843 /nfs/dbraw/zinc/49/98/43/533499843.db2.gz RZNKNGQEJZYRIH-SOUVJXGZSA-N 1 3 260.425 3.212 20 0 CGADHO Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000449012236 533594624 /nfs/dbraw/zinc/59/46/24/533594624.db2.gz ZWHSBMGTDWWUOU-UHFFFAOYSA-N 1 3 278.465 3.364 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423350052 533656834 /nfs/dbraw/zinc/65/68/34/533656834.db2.gz WSELSMUJVDSMPO-GUYCJALGSA-N 1 3 296.405 3.265 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000414925787 542641085 /nfs/dbraw/zinc/64/10/85/542641085.db2.gz MDCPFZOPVNVZCU-HZPDHXFCSA-N 1 3 276.424 3.095 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000021810433 391941562 /nfs/dbraw/zinc/94/15/62/391941562.db2.gz SSUKIGIIDVPDQV-GOSISDBHSA-N 1 3 272.436 3.386 20 0 CGADHO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000071142361 392188840 /nfs/dbraw/zinc/18/88/40/392188840.db2.gz FAHWDGOYZCXIOZ-LSDHHAIUSA-N 1 3 260.425 3.412 20 0 CGADHO CCC1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000106868904 392310773 /nfs/dbraw/zinc/31/07/73/392310773.db2.gz OAKPDLWGHCTBLU-SSHXOBKSSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1cc2cc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000285808603 392331875 /nfs/dbraw/zinc/33/18/75/392331875.db2.gz WHOHUQWUGBDQSF-BBRMVZONSA-N 1 3 271.408 3.049 20 0 CGADHO Cc1cc2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000285808603 392331880 /nfs/dbraw/zinc/33/18/80/392331880.db2.gz WHOHUQWUGBDQSF-BBRMVZONSA-N 1 3 271.408 3.049 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000367127853 392472472 /nfs/dbraw/zinc/47/24/72/392472472.db2.gz VSTSYQGHGCKNLO-IKGGRYGDSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1ccc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)cn1 ZINC000374650388 392685296 /nfs/dbraw/zinc/68/52/96/392685296.db2.gz XMUWXSQIZXGOIL-SFHVURJKSA-N 1 3 287.451 3.054 20 0 CGADHO C[C@@H](CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482393 392736131 /nfs/dbraw/zinc/73/61/31/392736131.db2.gz BBPCGFHCPYJOAD-AWEZNQCLSA-N 1 3 258.409 3.007 20 0 CGADHO Cc1cccc(C[N@H+](C2CC2)C2CCNCC2)c1C ZINC000647483002 392739222 /nfs/dbraw/zinc/73/92/22/392739222.db2.gz QNDKQYSTXLDSFC-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1cccc(C[N@@H+](C2CC2)C2CCNCC2)c1C ZINC000647483002 392739226 /nfs/dbraw/zinc/73/92/26/392739226.db2.gz QNDKQYSTXLDSFC-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO CC[C@@H]1CN(Cc2cc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000647498680 392742682 /nfs/dbraw/zinc/74/26/82/392742682.db2.gz MZORTZYENWBJQF-DOMZBBRYSA-N 1 3 274.433 3.461 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000182376451 392744656 /nfs/dbraw/zinc/74/46/56/392744656.db2.gz SEJLIUBJAMVQGT-FZKQIMNGSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376451 392744657 /nfs/dbraw/zinc/74/46/57/392744657.db2.gz SEJLIUBJAMVQGT-FZKQIMNGSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC000647543572 392760955 /nfs/dbraw/zinc/76/09/55/392760955.db2.gz PPSXVFMOVUZRNB-ZIAGYGMSSA-N 1 3 294.389 3.176 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCC[C@H](C)C2)CC[C@@H]1N ZINC000647937019 392837601 /nfs/dbraw/zinc/83/76/01/392837601.db2.gz PRQRUDKNHAAGOJ-JONQDZQNSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@H](C)C2)CC[C@@H]1N ZINC000647937019 392837603 /nfs/dbraw/zinc/83/76/03/392837603.db2.gz PRQRUDKNHAAGOJ-JONQDZQNSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1CN(CC[C@@H]2CCC[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000647937019 392837606 /nfs/dbraw/zinc/83/76/06/392837606.db2.gz PRQRUDKNHAAGOJ-JONQDZQNSA-N 1 3 252.446 3.262 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647803962 392804679 /nfs/dbraw/zinc/80/46/79/392804679.db2.gz GEKIOMPMEBMVRD-XGNXJENSSA-N 1 3 279.403 3.028 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2cccc(Cl)c2)CCC1 ZINC000647804467 392806397 /nfs/dbraw/zinc/80/63/97/392806397.db2.gz RNNOKYSADRFWPP-VXGBXAGGSA-N 1 3 266.816 3.435 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)c1C ZINC000647888032 392827425 /nfs/dbraw/zinc/82/74/25/392827425.db2.gz CYWPRYJNWVWCAO-WBVHZDCISA-N 1 3 258.409 3.050 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000381831575 392914872 /nfs/dbraw/zinc/91/48/72/392914872.db2.gz GGQALNKVQNGNMZ-PYOSLDJPSA-N 1 3 276.468 3.418 20 0 CGADHO FC(F)O[C@H]1CCCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000337389503 392882184 /nfs/dbraw/zinc/88/21/84/392882184.db2.gz GVEICRPMAOUIHH-KBPBESRZSA-N 1 3 290.398 3.002 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000514104928 542734141 /nfs/dbraw/zinc/73/41/41/542734141.db2.gz NLMUCZINTUOURC-ZWKOTPCHSA-N 1 3 290.451 3.151 20 0 CGADHO Clc1cccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Cl ZINC000415000441 393085569 /nfs/dbraw/zinc/08/55/69/393085569.db2.gz BCJROGLTRNLTRM-GXTWGEPZSA-N 1 3 299.245 3.471 20 0 CGADHO Cc1cc(F)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000415013473 393094980 /nfs/dbraw/zinc/09/49/80/393094980.db2.gz VCXHFXBQHORJSC-BLLLJJGKSA-N 1 3 296.817 3.265 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2cc(Cl)ccc2F)CC1 ZINC000415019260 393098556 /nfs/dbraw/zinc/09/85/56/393098556.db2.gz DRRLZPUASKENDS-HAQNSBGRSA-N 1 3 284.806 3.334 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2ccccc2)n1 ZINC000415017928 393098647 /nfs/dbraw/zinc/09/86/47/393098647.db2.gz SSPXCTJGHGOIJN-ZDUSSCGKSA-N 1 3 289.448 3.417 20 0 CGADHO Clc1ccc(CCCCN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000415030911 393105142 /nfs/dbraw/zinc/10/51/42/393105142.db2.gz FOHCXJOZQDRENG-JYAVWHMHSA-N 1 3 299.245 3.124 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414654682 393050586 /nfs/dbraw/zinc/05/05/86/393050586.db2.gz CJYCYZHDCMPBLY-AHCXZYCDSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414654682 393050596 /nfs/dbraw/zinc/05/05/96/393050596.db2.gz CJYCYZHDCMPBLY-AHCXZYCDSA-N 1 3 272.436 3.166 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)c1 ZINC000414817650 393054818 /nfs/dbraw/zinc/05/48/18/393054818.db2.gz BJVIOHDMHAWRKV-LZLYRXPVSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000414809894 393055484 /nfs/dbraw/zinc/05/54/84/393055484.db2.gz UUFPQHATYVMSQL-GRAKBVBRSA-N 1 3 252.446 3.308 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414811344 393055548 /nfs/dbraw/zinc/05/55/48/393055548.db2.gz ZKIBTMHULMOMKE-OCCSQVGLSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000246986579 393069137 /nfs/dbraw/zinc/06/91/37/393069137.db2.gz KKBAOVDVSGDLKW-WPGHFRTFSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000246986579 393069142 /nfs/dbraw/zinc/06/91/42/393069142.db2.gz KKBAOVDVSGDLKW-WPGHFRTFSA-N 1 3 278.827 3.400 20 0 CGADHO COCC[N@H+](CC[C@@H]1CCCN1C)[C@H](C)c1ccccc1 ZINC000348079034 393112190 /nfs/dbraw/zinc/11/21/90/393112190.db2.gz PYZLRZRTTMYIKI-AEFFLSMTSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[N@@H+](CC[C@@H]1CCCN1C)[C@H](C)c1ccccc1 ZINC000348079034 393112196 /nfs/dbraw/zinc/11/21/96/393112196.db2.gz PYZLRZRTTMYIKI-AEFFLSMTSA-N 1 3 290.451 3.180 20 0 CGADHO C[C@H](CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060171 393122302 /nfs/dbraw/zinc/12/23/02/393122302.db2.gz YHNRHKWBLPOROJ-UWWQBHOKSA-N 1 3 290.426 3.393 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415075772 393131734 /nfs/dbraw/zinc/13/17/34/393131734.db2.gz AEYPSWVNFAWLNP-HOTGVXAUSA-N 1 3 274.452 3.393 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H](N[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000415080241 393134245 /nfs/dbraw/zinc/13/42/45/393134245.db2.gz YPBHJTLXDFEAKK-BZSNNMDCSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1ccc(F)cc1Cl ZINC000415083045 393136681 /nfs/dbraw/zinc/13/66/81/393136681.db2.gz DYBAGBLIHBTCTO-FZMZJTMJSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H](NCCc1cc(Cl)cc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415091069 393142792 /nfs/dbraw/zinc/14/27/92/393142792.db2.gz YRXCXTJXEORFRF-PWSUYJOCSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@H]1C[C@H](CNCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000415110764 393146808 /nfs/dbraw/zinc/14/68/08/393146808.db2.gz QOFCTLHELHCXPC-WDEREUQCSA-N 1 3 287.234 3.471 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OC2CCCC2)c1 ZINC000469849812 393221224 /nfs/dbraw/zinc/22/12/24/393221224.db2.gz CCROANZPMBDGOP-ZBFHGGJFSA-N 1 3 288.435 3.177 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000469853507 393222008 /nfs/dbraw/zinc/22/20/08/393222008.db2.gz PEAJBPHFDPUFBG-NSCUHMNNSA-N 1 3 276.399 3.160 20 0 CGADHO CCC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471835227 393315198 /nfs/dbraw/zinc/31/51/98/393315198.db2.gz UXCXKTIFHYOXRP-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CCC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471835227 393315207 /nfs/dbraw/zinc/31/52/07/393315207.db2.gz UXCXKTIFHYOXRP-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CCc1cccc(F)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000474805938 393350290 /nfs/dbraw/zinc/35/02/90/393350290.db2.gz DAACQLSTPAACPT-MQVJKMGUSA-N 1 3 290.426 3.493 20 0 CGADHO CSc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000356159098 393363497 /nfs/dbraw/zinc/36/34/97/393363497.db2.gz GAMNKPQPJRLVOE-NSHDSACASA-N 1 3 282.478 3.044 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]([NH3+])[C@H]1C ZINC000420257816 393443914 /nfs/dbraw/zinc/44/39/14/393443914.db2.gz WYZRFYGIXVYJNV-DOMZBBRYSA-N 1 3 269.392 3.032 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320237 393465649 /nfs/dbraw/zinc/46/56/49/393465649.db2.gz BBMKMADDYRUMRK-SNPRPXQTSA-N 1 3 294.389 3.347 20 0 CGADHO COC1(C[C@H](C)[NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC000429507974 393471411 /nfs/dbraw/zinc/47/14/11/393471411.db2.gz ASQVKXXDJCYBKW-ZACQAIPSSA-N 1 3 296.499 3.292 20 0 CGADHO c1ccc2cc(CCN3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420353570 393471569 /nfs/dbraw/zinc/47/15/69/393471569.db2.gz BDLPJGFUEHHWNK-FQEVSTJZSA-N 1 3 294.442 3.458 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)CCC1 ZINC000429523505 393473835 /nfs/dbraw/zinc/47/38/35/393473835.db2.gz SFIIXHXCINABQX-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000429534124 393475200 /nfs/dbraw/zinc/47/52/00/393475200.db2.gz COZAXWGKFPFMLT-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000429534124 393475204 /nfs/dbraw/zinc/47/52/04/393475204.db2.gz COZAXWGKFPFMLT-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000420378476 393477793 /nfs/dbraw/zinc/47/77/93/393477793.db2.gz ULTGIFKWBBVPDN-STQMWFEESA-N 1 3 266.816 3.380 20 0 CGADHO Cc1ccc(SCCN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430552827 393575287 /nfs/dbraw/zinc/57/52/87/393575287.db2.gz BUUUHIYTDBQACH-HZPDHXFCSA-N 1 3 292.492 3.455 20 0 CGADHO Fc1cccc(Cl)c1CCCN[C@@H]1CCC[NH2+]CC1 ZINC000666857718 542822054 /nfs/dbraw/zinc/82/20/54/542822054.db2.gz GPMKXLBKJXETMC-GFCCVEGCSA-N 1 3 284.806 3.143 20 0 CGADHO Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CCCNCC1 ZINC000666857718 542822057 /nfs/dbraw/zinc/82/20/57/542822057.db2.gz GPMKXLBKJXETMC-GFCCVEGCSA-N 1 3 284.806 3.143 20 0 CGADHO CC[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422779909 393642185 /nfs/dbraw/zinc/64/21/85/393642185.db2.gz CGGLDRBSEGQLGR-OTJKEOIZSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@@H]1CCCN1 ZINC000422779909 393642190 /nfs/dbraw/zinc/64/21/90/393642190.db2.gz CGGLDRBSEGQLGR-OTJKEOIZSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422844045 393644848 /nfs/dbraw/zinc/64/48/48/393644848.db2.gz KQZSKUMCLYAYEY-WMLDXEAASA-N 1 3 290.426 3.225 20 0 CGADHO CC1(C)CC[C@H](CN[C@H]2CCC[C@@H]2[NH3+])c2ccccc21 ZINC000423017322 393647868 /nfs/dbraw/zinc/64/78/68/393647868.db2.gz OLTUTOQUNRKOFG-COXVUDFISA-N 1 3 272.436 3.311 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000423164415 393654098 /nfs/dbraw/zinc/65/40/98/393654098.db2.gz ONFRBEUIVHAUFE-DZGCQCFKSA-N 1 3 250.430 3.101 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000423212977 393654554 /nfs/dbraw/zinc/65/45/54/393654554.db2.gz JLCUOYPTERBVLI-IMJJTQAJSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423478908 393670095 /nfs/dbraw/zinc/67/00/95/393670095.db2.gz UWDNXMFFAVSMKP-YGRLFVJLSA-N 1 3 252.789 3.044 20 0 CGADHO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000433145796 393690822 /nfs/dbraw/zinc/69/08/22/393690822.db2.gz IVWLVRLFEKUXCM-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc(C[C@@H](C)N(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000502890112 393886574 /nfs/dbraw/zinc/88/65/74/393886574.db2.gz IJLWIAZDWNKKPM-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccc(C[C@@H](C)N(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000502890112 393886578 /nfs/dbraw/zinc/88/65/78/393886578.db2.gz IJLWIAZDWNKKPM-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO C/C(=C/c1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449558699 393902596 /nfs/dbraw/zinc/90/25/96/393902596.db2.gz ZKMKUUXPEFJXGU-PUYZDKHRSA-N 1 3 270.420 3.305 20 0 CGADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995382 542834095 /nfs/dbraw/zinc/83/40/95/542834095.db2.gz MHXNGWPSHSUGFT-OWCLPIDISA-N 1 3 262.441 3.220 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@H]1C ZINC000666995466 542834128 /nfs/dbraw/zinc/83/41/28/542834128.db2.gz OOEAGLRETGYLPI-QPSCCSFWSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1cccc(C[NH2+][C@@H]2CCNC3(CCC3)C2)c1C ZINC000666999545 542834473 /nfs/dbraw/zinc/83/44/73/542834473.db2.gz UVZJYMVSLUFEKB-MRXNPFEDSA-N 1 3 258.409 3.068 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453059038 394156172 /nfs/dbraw/zinc/15/61/72/394156172.db2.gz AMHRFEUEIXBHAF-SFHVURJKSA-N 1 3 272.436 3.417 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453089543 394167272 /nfs/dbraw/zinc/16/72/72/394167272.db2.gz KHUHBFUZOBZFAO-INIZCTEOSA-N 1 3 286.463 3.256 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000453156630 394190786 /nfs/dbraw/zinc/19/07/86/394190786.db2.gz XIJSFOGVZXYHSO-LJQANCHMSA-N 1 3 299.462 3.466 20 0 CGADHO Cc1ccc2cc(CN3CCC(C[NH+](C)C)CC3)[nH]c2c1 ZINC000667502167 542880539 /nfs/dbraw/zinc/88/05/39/542880539.db2.gz WRRSLLKLXXSQNJ-UHFFFAOYSA-N 1 3 285.435 3.250 20 0 CGADHO CC(C)C(C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)C(C)C ZINC000671306613 543168274 /nfs/dbraw/zinc/16/82/74/543168274.db2.gz SAAYSHFJBYAACS-RDJZCZTQSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C(C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)C(C)C ZINC000671306613 543168275 /nfs/dbraw/zinc/16/82/75/543168275.db2.gz SAAYSHFJBYAACS-RDJZCZTQSA-N 1 3 266.473 3.331 20 0 CGADHO C[C@H](CN[C@@H](c1ccccc1)C1CC1)C[NH+]1CCCC1 ZINC000062079184 397638259 /nfs/dbraw/zinc/63/82/59/397638259.db2.gz VBAVBSWISXKQNI-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)CN1CCCC1 ZINC000062079184 397638263 /nfs/dbraw/zinc/63/82/63/397638263.db2.gz VBAVBSWISXKQNI-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCCCC1(F)F ZINC000394657972 397695437 /nfs/dbraw/zinc/69/54/37/397695437.db2.gz MYZAOCVNQQSBLL-QWHCGFSZSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@@H]1C[N@H+](CCCC2CCCCC2)CC[C@@H]1N ZINC000395100139 397696411 /nfs/dbraw/zinc/69/64/11/397696411.db2.gz HKEGMONQTVRMIH-CVEARBPZSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@@H]1CN(CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395100139 397696406 /nfs/dbraw/zinc/69/64/06/397696406.db2.gz HKEGMONQTVRMIH-CVEARBPZSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1N ZINC000395100139 397696413 /nfs/dbraw/zinc/69/64/13/397696413.db2.gz HKEGMONQTVRMIH-CVEARBPZSA-N 1 3 252.446 3.406 20 0 CGADHO CCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491062807 397708715 /nfs/dbraw/zinc/70/87/15/397708715.db2.gz SUQVGNZGFLISEY-MRXNPFEDSA-N 1 3 252.446 3.375 20 0 CGADHO CC(C)(C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000650709117 397898494 /nfs/dbraw/zinc/89/84/94/397898494.db2.gz CNAWPMABWAYWMD-WMZOPIPTSA-N 1 3 272.436 3.025 20 0 CGADHO CC(C)(C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000650709117 397898496 /nfs/dbraw/zinc/89/84/96/397898496.db2.gz CNAWPMABWAYWMD-WMZOPIPTSA-N 1 3 272.436 3.025 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccccc1C ZINC000650718416 397901666 /nfs/dbraw/zinc/90/16/66/397901666.db2.gz LJGJKBJHNRWVQW-UHFFFAOYSA-N 1 3 254.377 3.004 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(C)nc1C ZINC000650756514 397909617 /nfs/dbraw/zinc/90/96/17/397909617.db2.gz CJKVOBLCWKFQGV-AWEZNQCLSA-N 1 3 283.419 3.269 20 0 CGADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000650763788 397913082 /nfs/dbraw/zinc/91/30/82/397913082.db2.gz JMCSUGZQRFUEKY-LLVKDONJSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423015214 296576921 /nfs/dbraw/zinc/57/69/21/296576921.db2.gz KHXCYNQAEIOZAI-ATZDWAIDSA-N 1 3 286.463 3.258 20 0 CGADHO CC(C)[C@H](C)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678137713 543486699 /nfs/dbraw/zinc/48/66/99/543486699.db2.gz SVVNBKSKDAMJSM-HNNXBMFYSA-N 1 3 278.440 3.103 20 0 CGADHO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678137713 543486701 /nfs/dbraw/zinc/48/67/01/543486701.db2.gz SVVNBKSKDAMJSM-HNNXBMFYSA-N 1 3 278.440 3.103 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678285580 543511829 /nfs/dbraw/zinc/51/18/29/543511829.db2.gz OJJDBBDCIIEAGH-HNNXBMFYSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678285580 543511832 /nfs/dbraw/zinc/51/18/32/543511832.db2.gz OJJDBBDCIIEAGH-HNNXBMFYSA-N 1 3 272.436 3.338 20 0 CGADHO CCOCCC1(CN[C@H](CC)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422882169 286049908 /nfs/dbraw/zinc/04/99/08/286049908.db2.gz AJYNDJMFGFANJO-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CCOCCC1(C[NH2+][C@H](CC)[C@@H]2CCCN2)CCCC1 ZINC000422882169 286049910 /nfs/dbraw/zinc/04/99/10/286049910.db2.gz AJYNDJMFGFANJO-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)c(C)n1 ZINC000678412211 543521609 /nfs/dbraw/zinc/52/16/09/543521609.db2.gz TUGLIJDDJFJAKS-OAHLLOKOSA-N 1 3 275.440 3.225 20 0 CGADHO Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)C1CC[NH+](C)CC1 ZINC000678582469 543537958 /nfs/dbraw/zinc/53/79/58/543537958.db2.gz LSCNQGPHQYTMEU-RHSMWYFYSA-N 1 3 288.435 3.057 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@H]3CCCC[C@@H]3CN)c[nH]c2c1 ZINC000422839887 292302989 /nfs/dbraw/zinc/30/29/89/292302989.db2.gz ANPADVRBVMARKW-PBHICJAKSA-N 1 3 285.435 3.126 20 0 CGADHO CSCCC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000075677040 287027077 /nfs/dbraw/zinc/02/70/77/287027077.db2.gz IBWRBOOGWNMAOJ-MRXNPFEDSA-N 1 3 284.513 3.183 20 0 CGADHO CSCCC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000075677040 287027079 /nfs/dbraw/zinc/02/70/79/287027079.db2.gz IBWRBOOGWNMAOJ-MRXNPFEDSA-N 1 3 284.513 3.183 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192342 287046976 /nfs/dbraw/zinc/04/69/76/287046976.db2.gz FNSYEBUIJBWHRT-GZBFAFLISA-N 1 3 250.430 3.028 20 0 CGADHO CCc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000088164212 287085885 /nfs/dbraw/zinc/08/58/85/287085885.db2.gz JTSBVNMXTDYPSV-AGUYFDCRSA-N 1 3 278.465 3.415 20 0 CGADHO CCc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000088164212 287085887 /nfs/dbraw/zinc/08/58/87/287085887.db2.gz JTSBVNMXTDYPSV-AGUYFDCRSA-N 1 3 278.465 3.415 20 0 CGADHO CC(C)Cc1ccc(C[N@H+](C)C2CCNCC2)cc1 ZINC000084623498 165176985 /nfs/dbraw/zinc/17/69/85/165176985.db2.gz LOYDMCPJGYCMRY-UHFFFAOYSA-N 1 3 260.425 3.069 20 0 CGADHO CC(C)Cc1ccc(C[N@@H+](C)C2CCNCC2)cc1 ZINC000084623498 165176987 /nfs/dbraw/zinc/17/69/87/165176987.db2.gz LOYDMCPJGYCMRY-UHFFFAOYSA-N 1 3 260.425 3.069 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)C12CCCCC2 ZINC000087295305 165187368 /nfs/dbraw/zinc/18/73/68/165187368.db2.gz QCCXMRGSBWSWBD-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093212348 165323618 /nfs/dbraw/zinc/32/36/18/165323618.db2.gz XKFNLTFRGXYBCS-BYCMXARLSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093212348 165323621 /nfs/dbraw/zinc/32/36/21/165323621.db2.gz XKFNLTFRGXYBCS-BYCMXARLSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000093210129 165323798 /nfs/dbraw/zinc/32/37/98/165323798.db2.gz CNEOCOJWHVMMIL-BPNCWPANSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000093211173 165324181 /nfs/dbraw/zinc/32/41/81/165324181.db2.gz OXGLGKLLZIDMSM-LEWSCRJBSA-N 1 3 297.240 3.370 20 0 CGADHO Cc1cc(F)ccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000094950920 165393836 /nfs/dbraw/zinc/39/38/36/165393836.db2.gz DYXCBLWUCKWWIH-KURKYZTESA-N 1 3 290.426 3.187 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000094875348 165395902 /nfs/dbraw/zinc/39/59/02/165395902.db2.gz BAPPGMNVDASQPR-SOUVJXGZSA-N 1 3 278.465 3.457 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000093741976 287118543 /nfs/dbraw/zinc/11/85/43/287118543.db2.gz PAXRSIVEYHCAHN-JKSUJKDBSA-N 1 3 250.430 3.006 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093741976 287118544 /nfs/dbraw/zinc/11/85/44/287118544.db2.gz PAXRSIVEYHCAHN-JKSUJKDBSA-N 1 3 250.430 3.006 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000122238163 287207690 /nfs/dbraw/zinc/20/76/90/287207690.db2.gz KOKRUSIEMYOBIY-GDBMZVCRSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000122238163 287207692 /nfs/dbraw/zinc/20/76/92/287207692.db2.gz KOKRUSIEMYOBIY-GDBMZVCRSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC1 ZINC000123717017 287224280 /nfs/dbraw/zinc/22/42/80/287224280.db2.gz KWFPBYJDWWFVGT-KRWDZBQOSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)CN1CCCC1 ZINC000126567802 287267750 /nfs/dbraw/zinc/26/77/50/287267750.db2.gz KTDZFHADENBHNS-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO C[C@H](CN[C@@H]1Cc2ccc(Cl)cc2C1)C[NH+]1CCCC1 ZINC000126567802 287267754 /nfs/dbraw/zinc/26/77/54/287267754.db2.gz KTDZFHADENBHNS-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO CN(C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423483 173199117 /nfs/dbraw/zinc/19/91/17/173199117.db2.gz LVJPBNQABMLZMZ-UHFFFAOYSA-N 1 3 261.196 3.035 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041959 174044637 /nfs/dbraw/zinc/04/46/37/174044637.db2.gz GZYQTEVHSGHCJR-JKSUJKDBSA-N 1 3 278.440 3.312 20 0 CGADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000038098200 174113531 /nfs/dbraw/zinc/11/35/31/174113531.db2.gz KTPWOKCBZYYHGZ-KRWDZBQOSA-N 1 3 288.435 3.147 20 0 CGADHO CCC1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000127992790 287300729 /nfs/dbraw/zinc/30/07/29/287300729.db2.gz NJJKBNRWZKDJIR-SJJHQCBESA-N 1 3 264.457 3.419 20 0 CGADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000128622036 287315141 /nfs/dbraw/zinc/31/51/41/287315141.db2.gz OCQYMRAXFZILHU-QGZVFWFLSA-N 1 3 276.399 3.279 20 0 CGADHO C[C@@H]1c2ccsc2CCN1CCCC1CC[NH2+]CC1 ZINC000050953829 416477516 /nfs/dbraw/zinc/47/75/16/416477516.db2.gz VVUDXEGYAHMBKJ-CYBMUJFWSA-N 1 3 278.465 3.447 20 0 CGADHO CC[C@@H]1CN(Cc2csc3ccccc23)CC[C@@H]1[NH3+] ZINC000122278605 416504778 /nfs/dbraw/zinc/50/47/78/416504778.db2.gz DNFFFDHTWQVQQH-DOMZBBRYSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000420901969 416562765 /nfs/dbraw/zinc/56/27/65/416562765.db2.gz LTDSHJZOFZEBOW-KZNAEPCWSA-N 1 3 294.483 3.142 20 0 CGADHO Clc1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCCC1 ZINC000129813134 287339580 /nfs/dbraw/zinc/33/95/80/287339580.db2.gz GAPQOWHNGLQMFY-MRXNPFEDSA-N 1 3 278.827 3.403 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000681755448 543806853 /nfs/dbraw/zinc/80/68/53/543806853.db2.gz VDUKZQYEZIZZOH-FUHWJXTLSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000681755448 543806855 /nfs/dbraw/zinc/80/68/55/543806855.db2.gz VDUKZQYEZIZZOH-FUHWJXTLSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000682916181 543877906 /nfs/dbraw/zinc/87/79/06/543877906.db2.gz IBHYXYNPHNFLAF-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NCC(C)(C)C[NH+](C)C ZINC000132129345 287397416 /nfs/dbraw/zinc/39/74/16/287397416.db2.gz JSSVYYSLQXRQIV-BBRMVZONSA-N 1 3 260.425 3.097 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683831386 543946779 /nfs/dbraw/zinc/94/67/79/543946779.db2.gz VFKGADDKHCOYMI-KXBFYZLASA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683831386 543946782 /nfs/dbraw/zinc/94/67/82/543946782.db2.gz VFKGADDKHCOYMI-KXBFYZLASA-N 1 3 297.446 3.397 20 0 CGADHO CO[C@H]1CCC[C@@H](NCCC[NH+](C(C)C)C(C)C)C1 ZINC000684385071 543990537 /nfs/dbraw/zinc/99/05/37/543990537.db2.gz UYUCWORWODSZRM-CVEARBPZSA-N 1 3 270.461 3.043 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]CCCN(C(C)C)C(C)C)C1 ZINC000684385071 543990540 /nfs/dbraw/zinc/99/05/40/543990540.db2.gz UYUCWORWODSZRM-CVEARBPZSA-N 1 3 270.461 3.043 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000685455221 544073376 /nfs/dbraw/zinc/07/33/76/544073376.db2.gz LQUIIGFCFIUCBS-AEFFLSMTSA-N 1 3 274.452 3.185 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000685455185 544073759 /nfs/dbraw/zinc/07/37/59/544073759.db2.gz CQRVSIDFWPSTBX-CVEARBPZSA-N 1 3 292.442 3.467 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470073 544077182 /nfs/dbraw/zinc/07/71/82/544077182.db2.gz OWJXFOUXACAFFC-IUODEOHRSA-N 1 3 282.378 3.396 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470073 544077184 /nfs/dbraw/zinc/07/71/84/544077184.db2.gz OWJXFOUXACAFFC-IUODEOHRSA-N 1 3 282.378 3.396 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC[C@@H]3C)CC2)C1 ZINC000432418964 287463137 /nfs/dbraw/zinc/46/31/37/287463137.db2.gz XUICHZUQIVAOTF-FZCLSBEQSA-N 1 3 294.483 3.044 20 0 CGADHO COc1cccc(C2(N[C@H]3CC[N@H+](C)[C@H](C)C3)CCC2)c1 ZINC000658323475 418935340 /nfs/dbraw/zinc/93/53/40/418935340.db2.gz LWKNKQNMYJRNCZ-ZBFHGGJFSA-N 1 3 288.435 3.147 20 0 CGADHO COc1cccc(C2(N[C@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)c1 ZINC000658323475 418935343 /nfs/dbraw/zinc/93/53/43/418935343.db2.gz LWKNKQNMYJRNCZ-ZBFHGGJFSA-N 1 3 288.435 3.147 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659974157 419049744 /nfs/dbraw/zinc/04/97/44/419049744.db2.gz LISZMGSNHBKPQF-XDNAFOTISA-N 1 3 276.468 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659974157 419049746 /nfs/dbraw/zinc/04/97/46/419049746.db2.gz LISZMGSNHBKPQF-XDNAFOTISA-N 1 3 276.468 3.086 20 0 CGADHO CC(C)=CCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000659974945 419050367 /nfs/dbraw/zinc/05/03/67/419050367.db2.gz RVKOVFNEEDXFHH-INIZCTEOSA-N 1 3 250.430 3.006 20 0 CGADHO CC(C)=CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974945 419050370 /nfs/dbraw/zinc/05/03/70/419050370.db2.gz RVKOVFNEEDXFHH-INIZCTEOSA-N 1 3 250.430 3.006 20 0 CGADHO CC(C)=CCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000659974945 419050371 /nfs/dbraw/zinc/05/03/71/419050371.db2.gz RVKOVFNEEDXFHH-INIZCTEOSA-N 1 3 250.430 3.006 20 0 CGADHO CC(C)=CCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000659974945 419050375 /nfs/dbraw/zinc/05/03/75/419050375.db2.gz RVKOVFNEEDXFHH-INIZCTEOSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@H](NCC1([NH3+])CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000665246909 419089731 /nfs/dbraw/zinc/08/97/31/419089731.db2.gz REWGMSVAUZMZLM-BPUTZDHNSA-N 1 3 258.409 3.040 20 0 CGADHO c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000665252152 419093991 /nfs/dbraw/zinc/09/39/91/419093991.db2.gz IPBXUQPLYFCFAU-WJFTUGDTSA-N 1 3 284.447 3.300 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cc2c(s1)CCC2 ZINC000665280947 419100646 /nfs/dbraw/zinc/10/06/46/419100646.db2.gz QBDPIFRNTDNLPY-DGCLKSJQSA-N 1 3 266.454 3.261 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000665280493 419101187 /nfs/dbraw/zinc/10/11/87/419101187.db2.gz DPHNTITWJBJMKI-NXHRZFHOSA-N 1 3 290.451 3.117 20 0 CGADHO CC[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000655806087 419102035 /nfs/dbraw/zinc/10/20/35/419102035.db2.gz PAOXKQZXJXVQRZ-PVXIVEMSSA-N 1 3 282.378 3.346 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000665281196 419102782 /nfs/dbraw/zinc/10/27/82/419102782.db2.gz WVRSGKUFMDGINY-CVEARBPZSA-N 1 3 264.388 3.240 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C2 ZINC000665281782 419102944 /nfs/dbraw/zinc/10/29/44/419102944.db2.gz KPXGFJOMSFRJIG-KBRIMQKVSA-N 1 3 260.425 3.191 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000665282388 419103291 /nfs/dbraw/zinc/10/32/91/419103291.db2.gz WWZNLBCUFVRQPW-WCQYABFASA-N 1 3 262.388 3.163 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000665282464 419103772 /nfs/dbraw/zinc/10/37/72/419103772.db2.gz YXKUOVNSFKCALN-CABCVRRESA-N 1 3 252.446 3.452 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)CNC ZINC000665295770 419109369 /nfs/dbraw/zinc/10/93/69/419109369.db2.gz ISSBMGDBEQSWGN-YPMHNXCESA-N 1 3 286.872 3.408 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc(Cl)cc2Cl)C1 ZINC000655825238 419109505 /nfs/dbraw/zinc/10/95/05/419109505.db2.gz AGHNLBOTLGMWBK-GSJFWJNXSA-N 1 3 287.234 3.423 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694247 419067081 /nfs/dbraw/zinc/06/70/81/419067081.db2.gz FCZPFBFYLHIKEX-RDJZCZTQSA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694247 419067084 /nfs/dbraw/zinc/06/70/84/419067084.db2.gz FCZPFBFYLHIKEX-RDJZCZTQSA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694247 419067087 /nfs/dbraw/zinc/06/70/87/419067087.db2.gz FCZPFBFYLHIKEX-RDJZCZTQSA-N 1 3 272.436 3.222 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000655718283 419076251 /nfs/dbraw/zinc/07/62/51/419076251.db2.gz IEIBEDAEOUARIR-DZGCQCFKSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)CS1 ZINC000655718283 419076253 /nfs/dbraw/zinc/07/62/53/419076253.db2.gz IEIBEDAEOUARIR-DZGCQCFKSA-N 1 3 282.497 3.267 20 0 CGADHO Cc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941347 419129837 /nfs/dbraw/zinc/12/98/37/419129837.db2.gz RBOPIOJMMXWADS-CABCVRRESA-N 1 3 292.854 3.470 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000660415644 419139726 /nfs/dbraw/zinc/13/97/26/419139726.db2.gz GUVNIZWTWBDOBS-QWHCGFSZSA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000660415644 419139731 /nfs/dbraw/zinc/13/97/31/419139731.db2.gz GUVNIZWTWBDOBS-QWHCGFSZSA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000660415644 419139734 /nfs/dbraw/zinc/13/97/34/419139734.db2.gz GUVNIZWTWBDOBS-QWHCGFSZSA-N 1 3 262.388 3.084 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196940 419148686 /nfs/dbraw/zinc/14/86/86/419148686.db2.gz YRRBLCPZARISPP-UONOGXRCSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196940 419148689 /nfs/dbraw/zinc/14/86/89/419148689.db2.gz YRRBLCPZARISPP-UONOGXRCSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000656197108 419149209 /nfs/dbraw/zinc/14/92/09/419149209.db2.gz FXEKGNLXMNKABY-ROUUACIJSA-N 1 3 281.403 3.108 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](CCCCC(F)(F)F)C2 ZINC000660659038 419176154 /nfs/dbraw/zinc/17/61/54/419176154.db2.gz JOKXBRDTJZQLQJ-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCCCC(F)(F)F)C2 ZINC000660659038 419176156 /nfs/dbraw/zinc/17/61/56/419176156.db2.gz JOKXBRDTJZQLQJ-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO COc1cccc([C@H](C)[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660658140 419176707 /nfs/dbraw/zinc/17/67/07/419176707.db2.gz CQTNMJLTQFMIPP-MAUKXSAKSA-N 1 3 288.435 3.174 20 0 CGADHO COc1cccc([C@H](C)[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000660658140 419176708 /nfs/dbraw/zinc/17/67/08/419176708.db2.gz CQTNMJLTQFMIPP-MAUKXSAKSA-N 1 3 288.435 3.174 20 0 CGADHO CC(C)OCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660679091 419181928 /nfs/dbraw/zinc/18/19/28/419181928.db2.gz MHLHUYIFXVHWLT-UHFFFAOYSA-N 1 3 290.451 3.056 20 0 CGADHO Cc1ccc2cc(C[NH2+]C[C@H]3CCN(C4CC4)C3)[nH]c2c1 ZINC000657307297 419247249 /nfs/dbraw/zinc/24/72/49/419247249.db2.gz MZUBKJHHCWZRMU-CQSZACIVSA-N 1 3 283.419 3.050 20 0 CGADHO CC[C@H]1C[C@@H](NCc2cccc(C[NH+](CC)CC)c2)CO1 ZINC000657315094 419248553 /nfs/dbraw/zinc/24/85/53/419248553.db2.gz KAEDSHAHJXTVMW-MSOLQXFVSA-N 1 3 290.451 3.186 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1nccn1C(C)C ZINC000657283957 419242009 /nfs/dbraw/zinc/24/20/09/419242009.db2.gz IVAOWNJUHOURQW-OAHLLOKOSA-N 1 3 280.460 3.064 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657548079 419302075 /nfs/dbraw/zinc/30/20/75/419302075.db2.gz RDDDWDXYJOLVOG-FGTMMUONSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657548079 419302076 /nfs/dbraw/zinc/30/20/76/419302076.db2.gz RDDDWDXYJOLVOG-FGTMMUONSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000657548079 419302078 /nfs/dbraw/zinc/30/20/78/419302078.db2.gz RDDDWDXYJOLVOG-FGTMMUONSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000657626332 419315539 /nfs/dbraw/zinc/31/55/39/419315539.db2.gz JMGOTMBFUWFCOZ-QZTJIDSGSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000657626332 419315541 /nfs/dbraw/zinc/31/55/41/419315541.db2.gz JMGOTMBFUWFCOZ-QZTJIDSGSA-N 1 3 272.436 3.062 20 0 CGADHO C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N ZINC000662242515 419368672 /nfs/dbraw/zinc/36/86/72/419368672.db2.gz AMQJNEAXGOQMKL-BURFUSLBSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N ZINC000662242515 419368679 /nfs/dbraw/zinc/36/86/79/419368679.db2.gz AMQJNEAXGOQMKL-BURFUSLBSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662242515 419368686 /nfs/dbraw/zinc/36/86/86/419368686.db2.gz AMQJNEAXGOQMKL-BURFUSLBSA-N 1 3 272.436 3.239 20 0 CGADHO CCOC1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000657823022 419372424 /nfs/dbraw/zinc/37/24/24/419372424.db2.gz GZAIEJOOIPMHCR-KLAILNCOSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCSc1cccc(Cl)c1 ZINC000662266368 419376805 /nfs/dbraw/zinc/37/68/05/419376805.db2.gz WUGFHYFHYCYQJY-RYUDHWBXSA-N 1 3 284.856 3.101 20 0 CGADHO CO[C@H](CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265534 419377520 /nfs/dbraw/zinc/37/75/20/419377520.db2.gz QRSDKRSQIAOTNP-FGTMMUONSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833120 419379740 /nfs/dbraw/zinc/37/97/40/419379740.db2.gz DVQNXYAPTUBPGR-RYUDHWBXSA-N 1 3 295.377 3.154 20 0 CGADHO C[N@H+](CCSc1cccc(Cl)c1)[C@@H](CN)C1CC1 ZINC000662274345 419381163 /nfs/dbraw/zinc/38/11/63/419381163.db2.gz VXGOGVXLQPYYLI-AWEZNQCLSA-N 1 3 284.856 3.101 20 0 CGADHO C[N@@H+](CCSc1cccc(Cl)c1)[C@@H](CN)C1CC1 ZINC000662274345 419381168 /nfs/dbraw/zinc/38/11/68/419381168.db2.gz VXGOGVXLQPYYLI-AWEZNQCLSA-N 1 3 284.856 3.101 20 0 CGADHO Cc1cccc(C)c1[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000662294874 419386382 /nfs/dbraw/zinc/38/63/82/419386382.db2.gz FWLNIPLSCCCAKK-HZPDHXFCSA-N 1 3 258.409 3.050 20 0 CGADHO COC1(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCCCC1 ZINC000663346497 419565758 /nfs/dbraw/zinc/56/57/58/419565758.db2.gz SBANUJLNCAHZHC-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO COC1(CNC[C@H]2CCC[N@H+](CC3CC3)C2)CCCCC1 ZINC000663346497 419565764 /nfs/dbraw/zinc/56/57/64/419565764.db2.gz SBANUJLNCAHZHC-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO COC1(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663346497 419565773 /nfs/dbraw/zinc/56/57/73/419565773.db2.gz SBANUJLNCAHZHC-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497971 419634682 /nfs/dbraw/zinc/63/46/82/419634682.db2.gz LXYNWWPMUISFTP-ORTQGIPQSA-N 1 3 290.838 3.318 20 0 CGADHO Cc1cc(CNCC[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000663500758 419636955 /nfs/dbraw/zinc/63/69/55/419636955.db2.gz VEGRMXYZUWOSPD-CQSZACIVSA-N 1 3 254.805 3.111 20 0 CGADHO C[C@@H](CCC1CCCCC1)[NH2+]CC12CC(C1)CN2 ZINC000663498993 419637286 /nfs/dbraw/zinc/63/72/86/419637286.db2.gz TUJJOZSHBKANGF-JEYLPNPQSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000663503907 419638935 /nfs/dbraw/zinc/63/89/35/419638935.db2.gz UXUYLUBKMANFDI-WDEREUQCSA-N 1 3 254.340 3.071 20 0 CGADHO Cc1cccc2c1CCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000663503299 419639001 /nfs/dbraw/zinc/63/90/01/419639001.db2.gz NSKAMJIJEDGJBR-WMLDXEAASA-N 1 3 258.409 3.104 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468215 419620542 /nfs/dbraw/zinc/62/05/42/419620542.db2.gz KJRCGFOUNOLVME-ZACQAIPSSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]([NH2+]CC1=CCCC1)c1cccc(OCCN(C)C)c1 ZINC000658292993 419742620 /nfs/dbraw/zinc/74/26/20/419742620.db2.gz UQEKILKVIPQXBG-OAHLLOKOSA-N 1 3 288.435 3.388 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC000221826256 262301256 /nfs/dbraw/zinc/30/12/56/262301256.db2.gz VDXVJLXJTIXIBT-MRXNPFEDSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)NCCC[NH+]1CCC(C)CC1 ZINC000221826256 262301258 /nfs/dbraw/zinc/30/12/58/262301258.db2.gz VDXVJLXJTIXIBT-MRXNPFEDSA-N 1 3 292.442 3.468 20 0 CGADHO Cc1ccc(C)c(C[NH2+]CCCN2CCCCC2)c1 ZINC000042298642 270032301 /nfs/dbraw/zinc/03/23/01/270032301.db2.gz QCSPKIIHQHMNLN-UHFFFAOYSA-N 1 3 260.425 3.269 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000044534738 270035858 /nfs/dbraw/zinc/03/58/58/270035858.db2.gz RPTCTXBJJKLELU-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534738 270035860 /nfs/dbraw/zinc/03/58/60/270035860.db2.gz RPTCTXBJJKLELU-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000044534276 270036343 /nfs/dbraw/zinc/03/63/43/270036343.db2.gz UJKJGYTWEHJTNU-OCCSQVGLSA-N 1 3 266.454 3.357 20 0 CGADHO Cc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534276 270036344 /nfs/dbraw/zinc/03/63/44/270036344.db2.gz UJKJGYTWEHJTNU-OCCSQVGLSA-N 1 3 266.454 3.357 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000223025184 270086045 /nfs/dbraw/zinc/08/60/45/270086045.db2.gz YMCGLDKEWVUZDK-KRWDZBQOSA-N 1 3 260.425 3.458 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1CC12CC2 ZINC000527845284 270139171 /nfs/dbraw/zinc/13/91/71/270139171.db2.gz IHKVNACTGITESS-BBRMVZONSA-N 1 3 258.409 3.026 20 0 CGADHO CC[NH+](CC)CC1CCN(C/C=C(/C)Cl)CC1 ZINC000528357551 270162176 /nfs/dbraw/zinc/16/21/76/270162176.db2.gz UTMOINWXLUDSNF-MLPAPPSSSA-N 1 3 258.837 3.183 20 0 CGADHO Cc1ccc(-c2cccc(OCCN(C)C)c2)cc1C[NH3+] ZINC000530248180 270197441 /nfs/dbraw/zinc/19/74/41/270197441.db2.gz HUWFBBHNSFPMPN-UHFFFAOYSA-N 1 3 284.403 3.061 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517587 270200653 /nfs/dbraw/zinc/20/06/53/270200653.db2.gz DEGXIAXWMAGFKY-IAGOWNOFSA-N 1 3 294.483 3.284 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517587 270200654 /nfs/dbraw/zinc/20/06/54/270200654.db2.gz DEGXIAXWMAGFKY-IAGOWNOFSA-N 1 3 294.483 3.284 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531955137 270211274 /nfs/dbraw/zinc/21/12/74/270211274.db2.gz OKYMZHBJABCXOR-SJLPKXTDSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531955137 270211275 /nfs/dbraw/zinc/21/12/75/270211275.db2.gz OKYMZHBJABCXOR-SJLPKXTDSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531955137 270211276 /nfs/dbraw/zinc/21/12/76/270211276.db2.gz OKYMZHBJABCXOR-SJLPKXTDSA-N 1 3 272.436 3.459 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000532521822 270216864 /nfs/dbraw/zinc/21/68/64/270216864.db2.gz UIZPBILLNXNOHC-HOCLYGCPSA-N 1 3 284.513 3.372 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309948 270223120 /nfs/dbraw/zinc/22/31/20/270223120.db2.gz LAYIEXDTEFEXGE-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C)cc2)C[C@@H]1C ZINC000533309948 270223121 /nfs/dbraw/zinc/22/31/21/270223121.db2.gz LAYIEXDTEFEXGE-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO CSCCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000235171477 287649099 /nfs/dbraw/zinc/64/90/99/287649099.db2.gz MZTFPORRQMQJPV-HRCADAONSA-N 1 3 284.513 3.420 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423206436 273960018 /nfs/dbraw/zinc/96/00/18/273960018.db2.gz WXWXNGKLSGXWHI-GOEBONIOSA-N 1 3 280.843 3.250 20 0 CGADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000437606883 275391527 /nfs/dbraw/zinc/39/15/27/275391527.db2.gz VREFKVZKSZFIMV-ROUUACIJSA-N 1 3 294.483 3.001 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425929297 276023352 /nfs/dbraw/zinc/02/33/52/276023352.db2.gz XEVNPKGRESMHIA-WBVHZDCISA-N 1 3 262.441 3.185 20 0 CGADHO CC(C)[C@H]1CCN(CCC[N@@H+]2CC[C@H](C(C)C)C2)C1 ZINC000489250994 276027846 /nfs/dbraw/zinc/02/78/46/276027846.db2.gz CZOHTYIWCJOXEX-IRXDYDNUSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)[C@H]1CCN(CCC[N@H+]2CC[C@H](C(C)C)C2)C1 ZINC000489250994 276027848 /nfs/dbraw/zinc/02/78/48/276027848.db2.gz CZOHTYIWCJOXEX-IRXDYDNUSA-N 1 3 266.473 3.332 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459342417 276072606 /nfs/dbraw/zinc/07/26/06/276072606.db2.gz LCTIQJFMZKNUCG-AWEZNQCLSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459342417 276072607 /nfs/dbraw/zinc/07/26/07/276072607.db2.gz LCTIQJFMZKNUCG-AWEZNQCLSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342417 276072610 /nfs/dbraw/zinc/07/26/10/276072610.db2.gz LCTIQJFMZKNUCG-AWEZNQCLSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342417 276072611 /nfs/dbraw/zinc/07/26/11/276072611.db2.gz LCTIQJFMZKNUCG-AWEZNQCLSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450449603 276106318 /nfs/dbraw/zinc/10/63/18/276106318.db2.gz FPBZOKNYBDPWLH-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450449603 276106319 /nfs/dbraw/zinc/10/63/19/276106319.db2.gz FPBZOKNYBDPWLH-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000353975438 276260217 /nfs/dbraw/zinc/26/02/17/276260217.db2.gz UWQKTUNOEWLWJO-CGTJXYLNSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000353975438 276260218 /nfs/dbraw/zinc/26/02/18/276260218.db2.gz UWQKTUNOEWLWJO-CGTJXYLNSA-N 1 3 290.451 3.227 20 0 CGADHO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000423375320 276270984 /nfs/dbraw/zinc/27/09/84/276270984.db2.gz INXADCPPDRRAQO-PVAVHDDUSA-N 1 3 260.425 3.300 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCCCC1 ZINC000423202046 276271808 /nfs/dbraw/zinc/27/18/08/276271808.db2.gz AIAZBWGIXGOAIS-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000087710353 276351725 /nfs/dbraw/zinc/35/17/25/276351725.db2.gz QPNRSYAYYGSDPW-JKSUJKDBSA-N 1 3 294.483 3.187 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000347195854 276419895 /nfs/dbraw/zinc/41/98/95/276419895.db2.gz HIMDYOPDZLUUEN-ARJAWSKDSA-N 1 3 276.399 3.160 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344290812 277023354 /nfs/dbraw/zinc/02/33/54/277023354.db2.gz MOPSYNLTBVBWIH-QGZVFWFLSA-N 1 3 274.383 3.055 20 0 CGADHO C[C@@H]([C@H](C)[NH2+]C[C@@H]1CCCNC1)C1CCCCC1 ZINC000423207813 277645874 /nfs/dbraw/zinc/64/58/74/277645874.db2.gz HHDNHQXSZCOTQZ-SOUVJXGZSA-N 1 3 252.446 3.181 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423389797 277943340 /nfs/dbraw/zinc/94/33/40/277943340.db2.gz OKFZNKVWRABQJB-IGCXYCKISA-N 1 3 288.435 3.277 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000516758255 278026185 /nfs/dbraw/zinc/02/61/85/278026185.db2.gz WRHRGPYAHRBTMC-VBQJREDUSA-N 1 3 288.435 3.145 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000516758255 278026186 /nfs/dbraw/zinc/02/61/86/278026186.db2.gz WRHRGPYAHRBTMC-VBQJREDUSA-N 1 3 288.435 3.145 20 0 CGADHO CC/C=C\CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342198985 278165649 /nfs/dbraw/zinc/16/56/49/278165649.db2.gz IIZNBMNWPCKHCD-YKZUCCNHSA-N 1 3 294.483 3.164 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423219249 278175616 /nfs/dbraw/zinc/17/56/16/278175616.db2.gz SZIHSGSUJJOXAC-HZSPNIEDSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008375 278229208 /nfs/dbraw/zinc/22/92/08/278229208.db2.gz MXVKRYOIXUYQEZ-GOEBONIOSA-N 1 3 288.435 3.363 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c2ccccc2n1 ZINC000397432810 288023906 /nfs/dbraw/zinc/02/39/06/288023906.db2.gz FOQGWAKFFUDORN-UNEWFSDZSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@H](C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397424626 288023966 /nfs/dbraw/zinc/02/39/66/288023966.db2.gz XBCVCYFDWCYFMI-AIANPOQGSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@H](C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397424626 288023968 /nfs/dbraw/zinc/02/39/68/288023968.db2.gz XBCVCYFDWCYFMI-AIANPOQGSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)CN(C)C ZINC000425936133 278284581 /nfs/dbraw/zinc/28/45/81/278284581.db2.gz HFKXFASLDJHBAB-GXTWGEPZSA-N 1 3 264.413 3.080 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000037267052 278335094 /nfs/dbraw/zinc/33/50/94/278335094.db2.gz XVKUBTQBOUYVOK-LLVKDONJSA-N 1 3 286.341 3.450 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422741949 278511868 /nfs/dbraw/zinc/51/18/68/278511868.db2.gz FSHZELCYJIWHCH-FPCVCCKLSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCCN1)C1CCOCC1 ZINC000422806976 288078454 /nfs/dbraw/zinc/07/84/54/288078454.db2.gz JETQTNRFHAAHIC-OIISXLGYSA-N 1 3 282.472 3.092 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)c1 ZINC000414817649 278918724 /nfs/dbraw/zinc/91/87/24/278918724.db2.gz BJVIOHDMHAWRKV-JZXOWHBKSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000423368025 279026945 /nfs/dbraw/zinc/02/69/45/279026945.db2.gz MUTSKZQVJAGKSZ-XUWVNRHRSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@H](CCc1cccc(C(F)(F)F)c1)N[C@@H](C)[C@H](C)[NH3+] ZINC000415015323 279273284 /nfs/dbraw/zinc/27/32/84/279273284.db2.gz MSCBLVKJXYPLKV-WOPDTQHZSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCC(F)(F)C1 ZINC000422994146 279372045 /nfs/dbraw/zinc/37/20/45/279372045.db2.gz UQQMSVWKEOUDTD-MCIONIFRSA-N 1 3 274.399 3.465 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423227466 279400623 /nfs/dbraw/zinc/40/06/23/279400623.db2.gz VXYPSJBDGOZPKL-BJJXKVORSA-N 1 3 280.843 3.378 20 0 CGADHO Cc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)ccn1 ZINC000527633469 288178814 /nfs/dbraw/zinc/17/88/14/288178814.db2.gz UJKNQYBVRXFFFE-UHFFFAOYSA-N 1 3 295.430 3.276 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150233 280013192 /nfs/dbraw/zinc/01/31/92/280013192.db2.gz KKBAOVDVSGDLKW-SGIREYDYSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150233 280013195 /nfs/dbraw/zinc/01/31/95/280013195.db2.gz KKBAOVDVSGDLKW-SGIREYDYSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NCCC[NH+]1CCCCC1 ZINC000480165952 280033943 /nfs/dbraw/zinc/03/39/43/280033943.db2.gz ODQRHOUMUGSLFO-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C[C@@H](C)N)CC3 ZINC000423043220 281034776 /nfs/dbraw/zinc/03/47/76/281034776.db2.gz NXOQFSWRUVRHML-HZSPNIEDSA-N 1 3 285.435 3.049 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268874061 281059552 /nfs/dbraw/zinc/05/95/52/281059552.db2.gz DNCYTINHZIDSBT-LXZKKBNFSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268874061 281059553 /nfs/dbraw/zinc/05/95/53/281059553.db2.gz DNCYTINHZIDSBT-LXZKKBNFSA-N 1 3 258.409 3.055 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H](C)c1ccccc1 ZINC000530179786 288296447 /nfs/dbraw/zinc/29/64/47/288296447.db2.gz XHUKNBVQFVSCLB-IJEWVQPXSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530179805 288296472 /nfs/dbraw/zinc/29/64/72/288296472.db2.gz YAIWFFMKYPFTLT-CJNGLKHVSA-N 1 3 276.399 3.021 20 0 CGADHO CC1(C)C[C@@H](NCCC[NH3+])c2cc(Br)ccc21 ZINC000423197517 281316995 /nfs/dbraw/zinc/31/69/95/281316995.db2.gz ZRVHPROFLQIURL-CYBMUJFWSA-N 1 3 297.240 3.110 20 0 CGADHO Cc1ccccc1[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000271323417 281392673 /nfs/dbraw/zinc/39/26/73/281392673.db2.gz UEIWXTNLEFFOEM-IRXDYDNUSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccccc1[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000271323417 281392674 /nfs/dbraw/zinc/39/26/74/281392674.db2.gz UEIWXTNLEFFOEM-IRXDYDNUSA-N 1 3 272.436 3.269 20 0 CGADHO CC(C)[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC1 ZINC000542488305 288755023 /nfs/dbraw/zinc/75/50/23/288755023.db2.gz HMCVELMKZPRWIR-HOCLYGCPSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034789 289032594 /nfs/dbraw/zinc/03/25/94/289032594.db2.gz ACEZGDDTHNRLMI-TWMKSMIVSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)N1CCCCC1 ZINC000549038342 289032968 /nfs/dbraw/zinc/03/29/68/289032968.db2.gz YUHXSMQJVHBUFZ-CAOSSQGBSA-N 1 3 250.430 3.029 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000559153693 289537718 /nfs/dbraw/zinc/53/77/18/289537718.db2.gz DWVLALHRJFTGEI-RZFLPCETSA-N 1 3 296.499 3.433 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC12CCC2)CN1CCCCC1 ZINC000337406615 289691557 /nfs/dbraw/zinc/69/15/57/289691557.db2.gz SQXWFWAHOVRTFJ-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1C[C@H]1C ZINC000414110471 289938948 /nfs/dbraw/zinc/93/89/48/289938948.db2.gz LUONVIBSNHWWNS-WWGRRREGSA-N 1 3 250.430 3.028 20 0 CGADHO COc1ccc([C@@H](N[C@H]2CCC[NH2+]CC2)C(C)C)cc1 ZINC000422781797 295217452 /nfs/dbraw/zinc/21/74/52/295217452.db2.gz JHQNULITECFALF-RDJZCZTQSA-N 1 3 276.424 3.124 20 0 CGADHO [NH3+]CC1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000422772034 295224110 /nfs/dbraw/zinc/22/41/10/295224110.db2.gz XZQBNKGALTWSFT-GXOAENINSA-N 1 3 295.430 3.278 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000424296020 295300921 /nfs/dbraw/zinc/30/09/21/295300921.db2.gz RWSYLPRFLWVQCW-RBSFLKMASA-N 1 3 264.800 3.187 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000423462678 297284551 /nfs/dbraw/zinc/28/45/51/297284551.db2.gz DSYYTCIUJZLOOD-CWAQJACASA-N 1 3 290.426 3.153 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H]1CNCCCO1 ZINC000423490771 302182868 /nfs/dbraw/zinc/18/28/68/302182868.db2.gz IISQEHLOHSGIFP-WMZOPIPTSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000422737952 302589252 /nfs/dbraw/zinc/58/92/52/302589252.db2.gz YBLFGCHRPCEEFX-ALYFQZSWSA-N 1 3 275.440 3.324 20 0 CGADHO NC1(C[NH2+][C@@H]2CCC23CCC3)C2CC3CC(C2)CC1C3 ZINC000423517295 303359569 /nfs/dbraw/zinc/35/95/69/303359569.db2.gz BMIKVMXJAFNEDW-PKSOCPPESA-N 1 3 274.452 3.062 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC23CCC3)C2CC3CC(C2)CC1C3 ZINC000423517295 303359570 /nfs/dbraw/zinc/35/95/70/303359570.db2.gz BMIKVMXJAFNEDW-PKSOCPPESA-N 1 3 274.452 3.062 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000582116255 327876889 /nfs/dbraw/zinc/87/68/89/327876889.db2.gz KWDADBSBOGZVGQ-MAUKXSAKSA-N 1 3 290.451 3.219 20 0 CGADHO Cc1ccsc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000152679946 321704004 /nfs/dbraw/zinc/70/40/04/321704004.db2.gz YKINHYKTKYHCDW-UHFFFAOYSA-N 1 3 278.465 3.364 20 0 CGADHO CN(C)Cc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000171131414 321921147 /nfs/dbraw/zinc/92/11/47/321921147.db2.gz XNTSNPFHGZWBEU-UHFFFAOYSA-N 1 3 258.409 3.026 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(OC3CCCC3)cc2)C1 ZINC000563820295 322011312 /nfs/dbraw/zinc/01/13/12/322011312.db2.gz DQGHGXPEMUKYAY-JKSUJKDBSA-N 1 3 288.435 3.368 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(OC3CCCC3)cc2)C1 ZINC000563820287 322011458 /nfs/dbraw/zinc/01/14/58/322011458.db2.gz DQGHGXPEMUKYAY-CVEARBPZSA-N 1 3 288.435 3.368 20 0 CGADHO C[N@H+](CCCN)CCCCc1cccc(C(F)(F)F)c1 ZINC000564655348 322037735 /nfs/dbraw/zinc/03/77/35/322037735.db2.gz JHJGYFDQIMJKTB-UHFFFAOYSA-N 1 3 288.357 3.309 20 0 CGADHO C[N@@H+](CCCN)CCCCc1cccc(C(F)(F)F)c1 ZINC000564655348 322037737 /nfs/dbraw/zinc/03/77/37/322037737.db2.gz JHJGYFDQIMJKTB-UHFFFAOYSA-N 1 3 288.357 3.309 20 0 CGADHO CN(CCC[NH3+])CCCCc1cccc(C(F)(F)F)c1 ZINC000564655348 322037740 /nfs/dbraw/zinc/03/77/40/322037740.db2.gz JHJGYFDQIMJKTB-UHFFFAOYSA-N 1 3 288.357 3.309 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2sccc2OC)CC1 ZINC000564751757 322041547 /nfs/dbraw/zinc/04/15/47/322041547.db2.gz AWHWHUWHZMALFC-LBPRGKRZSA-N 1 3 282.453 3.139 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCCc2cccs2)c2ccccc21 ZINC000565534008 322081224 /nfs/dbraw/zinc/08/12/24/322081224.db2.gz UWXQBARDJKEXJV-HOTGVXAUSA-N 1 3 272.417 3.415 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCc2ccccc21)CN1CCCC1 ZINC000565567520 322082185 /nfs/dbraw/zinc/08/21/85/322082185.db2.gz RUJJHHAGHVLBEY-KRWDZBQOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H](N(C)C[C@@H](C[NH3+])c1ccc(F)cc1)C(C)(C)C ZINC000565827938 322092706 /nfs/dbraw/zinc/09/27/06/322092706.db2.gz GKPZJRAJKFHLAY-TZMCWYRMSA-N 1 3 266.404 3.234 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000565950918 322097835 /nfs/dbraw/zinc/09/78/35/322097835.db2.gz MUSXJFHMKGWJJB-ROUUACIJSA-N 1 3 274.452 3.248 20 0 CGADHO CC(C)CC[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000566112391 322104898 /nfs/dbraw/zinc/10/48/98/322104898.db2.gz NSYDRDQALGYDGP-GOSISDBHSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)CC[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000566112391 322104901 /nfs/dbraw/zinc/10/49/01/322104901.db2.gz NSYDRDQALGYDGP-GOSISDBHSA-N 1 3 296.499 3.170 20 0 CGADHO CCCc1cccc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000566229541 322110650 /nfs/dbraw/zinc/11/06/50/322110650.db2.gz GLEWIOGIPOMLLW-UHFFFAOYSA-N 1 3 268.404 3.388 20 0 CGADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567627443 322171411 /nfs/dbraw/zinc/17/14/11/322171411.db2.gz RDIOTBYMXPQFKX-HDEZJCGLSA-N 1 3 288.435 3.092 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)c1 ZINC000568248536 322200603 /nfs/dbraw/zinc/20/06/03/322200603.db2.gz UFTSHRLFTWFPIZ-UAGQMJEPSA-N 1 3 260.425 3.094 20 0 CGADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H](N)CC(C)C)c1 ZINC000568368462 322206123 /nfs/dbraw/zinc/20/61/23/322206123.db2.gz PXAPXHPJVVQRJM-IRXDYDNUSA-N 1 3 290.451 3.076 20 0 CGADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H](N)CC(C)C)c1 ZINC000568368462 322206125 /nfs/dbraw/zinc/20/61/25/322206125.db2.gz PXAPXHPJVVQRJM-IRXDYDNUSA-N 1 3 290.451 3.076 20 0 CGADHO Fc1ccc(/C=C\CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000569606032 322251618 /nfs/dbraw/zinc/25/16/18/322251618.db2.gz ZCJJURKEQPUWKU-YYZONTRBSA-N 1 3 288.410 3.160 20 0 CGADHO C[NH+](C)CC1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000570128091 322265503 /nfs/dbraw/zinc/26/55/03/322265503.db2.gz UQTQNWFNXUSRBI-ONEGZZNKSA-N 1 3 294.389 3.252 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)CCc1ccsc1 ZINC000570708825 322280302 /nfs/dbraw/zinc/28/03/02/322280302.db2.gz VWFRJPBTTSNHOF-ZDUSSCGKSA-N 1 3 254.443 3.047 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000571275535 322294551 /nfs/dbraw/zinc/29/45/51/322294551.db2.gz GYQKXHVVZUUGLB-KPZWWZAWSA-N 1 3 299.393 3.481 20 0 CGADHO C[C@@H](CC[NH2+]C1CCC(C)CC1)N1CCCCC1 ZINC000573364305 322384275 /nfs/dbraw/zinc/38/42/75/322384275.db2.gz MAODCXXZVNUBGE-PCKAHOCUSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]CC1Cc2ccccc2C1 ZINC000573497248 322391012 /nfs/dbraw/zinc/39/10/12/322391012.db2.gz YUGNYIZQIFJFDB-INIZCTEOSA-N 1 3 286.463 3.256 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000583138098 329325522 /nfs/dbraw/zinc/32/55/22/329325522.db2.gz QAXVFCFBMAKUNA-ARKGTOAJSA-N 1 3 250.430 3.205 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000576156160 335161617 /nfs/dbraw/zinc/16/16/17/335161617.db2.gz AUFLOZSPVYEAHZ-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000576156160 335161619 /nfs/dbraw/zinc/16/16/19/335161619.db2.gz AUFLOZSPVYEAHZ-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO CC[N@H+]1CCC[C@@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000576156160 335161621 /nfs/dbraw/zinc/16/16/21/335161621.db2.gz AUFLOZSPVYEAHZ-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000576464778 335207257 /nfs/dbraw/zinc/20/72/57/335207257.db2.gz OSQGPOJDLRIPQP-GHMZBOCLSA-N 1 3 254.443 3.261 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)[C@H]1CCCNC1 ZINC000576861396 335256766 /nfs/dbraw/zinc/25/67/66/335256766.db2.gz FQMQSLGZUUCWQR-HRCADAONSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000577077693 335296565 /nfs/dbraw/zinc/29/65/65/335296565.db2.gz SBWTYJPSCZSZCJ-ZOBUZTSGSA-N 1 3 258.409 3.232 20 0 CGADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000578986228 335695783 /nfs/dbraw/zinc/69/57/83/335695783.db2.gz PZTCUHTXRLJALU-CYBMUJFWSA-N 1 3 297.402 3.020 20 0 CGADHO C[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000384483874 336124812 /nfs/dbraw/zinc/12/48/12/336124812.db2.gz CEPDLZWBODUWRM-AWEZNQCLSA-N 1 3 275.440 3.465 20 0 CGADHO Cc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000581824874 336147969 /nfs/dbraw/zinc/14/79/69/336147969.db2.gz HKMACCHUNXERFL-AWEZNQCLSA-N 1 3 254.377 3.305 20 0 CGADHO CSCC1CCC([NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000385583120 336152070 /nfs/dbraw/zinc/15/20/70/336152070.db2.gz SWDXJUXNBWJJQF-PCKAHOCUSA-N 1 3 284.513 3.228 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC34CC4)CC2)C1 ZINC000424327348 533762821 /nfs/dbraw/zinc/76/28/21/533762821.db2.gz PPMZKSWDZZXFOO-FVQBIDKESA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CC34CC4)CC2)C1 ZINC000424327348 533762824 /nfs/dbraw/zinc/76/28/24/533762824.db2.gz PPMZKSWDZZXFOO-FVQBIDKESA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H]1CCc2ccccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423033743 533783283 /nfs/dbraw/zinc/78/32/83/533783283.db2.gz ZWDXWNOWJOEBDF-INRBYPDRSA-N 1 3 270.420 3.183 20 0 CGADHO Cc1ccc(CC[C@H](C)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414901014 533828460 /nfs/dbraw/zinc/82/84/60/533828460.db2.gz FLWIMDBTWJESCM-DOTOQJQBSA-N 1 3 260.425 3.048 20 0 CGADHO C[C@H]([NH2+]CCC1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000432856934 533842561 /nfs/dbraw/zinc/84/25/61/533842561.db2.gz BZRKZRUOJMTSNM-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C2CC2)c1 ZINC000423366975 534000451 /nfs/dbraw/zinc/00/04/51/534000451.db2.gz MBHBCAGXLWPMBC-ZLIFDBKOSA-N 1 3 258.409 3.485 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000422811692 534069730 /nfs/dbraw/zinc/06/97/30/534069730.db2.gz VEUGAKIUAUOJIX-BEFAXECRSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H](Cc1ccoc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000358773897 534258273 /nfs/dbraw/zinc/25/82/73/534258273.db2.gz MMQNFALBYOTCTP-ZDUSSCGKSA-N 1 3 264.413 3.063 20 0 CGADHO c1ccc(CC2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000358345934 534482416 /nfs/dbraw/zinc/48/24/16/534482416.db2.gz QAMVPCOXXJEHBK-MSOLQXFVSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(CC2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000358345934 534482421 /nfs/dbraw/zinc/48/24/21/534482421.db2.gz QAMVPCOXXJEHBK-MSOLQXFVSA-N 1 3 284.447 3.226 20 0 CGADHO CCCC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000050887287 521007242 /nfs/dbraw/zinc/00/72/42/521007242.db2.gz MELUOGISUGBFDZ-CQSZACIVSA-N 1 3 261.413 3.219 20 0 CGADHO Cc1cnc(CNCC2CC[NH+](CCC(C)C)CC2)s1 ZINC000449172130 534555500 /nfs/dbraw/zinc/55/55/00/534555500.db2.gz BUBXSKYKTFOYRN-UHFFFAOYSA-N 1 3 295.496 3.299 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000037643903 521717737 /nfs/dbraw/zinc/71/77/37/521717737.db2.gz XCLDRHAMHUKFBP-QWHCGFSZSA-N 1 3 266.816 3.332 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)c1 ZINC000423327119 534727619 /nfs/dbraw/zinc/72/76/19/534727619.db2.gz LEYGBIIDLFTGIR-OALUTQOASA-N 1 3 286.463 3.295 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000150292456 524844221 /nfs/dbraw/zinc/84/42/21/524844221.db2.gz WJOSPBGXJTWXPN-SMDDNHRTSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccsc1 ZINC000061362759 525456017 /nfs/dbraw/zinc/45/60/17/525456017.db2.gz NBRDVRRGTFNMNV-OCCSQVGLSA-N 1 3 252.427 3.273 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425934955 534879364 /nfs/dbraw/zinc/87/93/64/534879364.db2.gz BJQLWCCLLLBLAO-RYUDHWBXSA-N 1 3 283.485 3.423 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423401093 534879595 /nfs/dbraw/zinc/87/95/95/534879595.db2.gz VTYWOUXQVVXUMN-DRZSPHRISA-N 1 3 281.469 3.495 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CC[C@H]3C3CCC3)CC2)ccn1 ZINC000338002000 526431241 /nfs/dbraw/zinc/43/12/41/526431241.db2.gz RGCWEWOCKYBFET-OALUTQOASA-N 1 3 299.462 3.466 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553256 536475292 /nfs/dbraw/zinc/47/52/92/536475292.db2.gz XLXJOSNHGUFSDC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553256 536475295 /nfs/dbraw/zinc/47/52/95/536475295.db2.gz XLXJOSNHGUFSDC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553256 536475298 /nfs/dbraw/zinc/47/52/98/536475298.db2.gz XLXJOSNHGUFSDC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553256 536475299 /nfs/dbraw/zinc/47/52/99/536475299.db2.gz XLXJOSNHGUFSDC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(C)COC2)CC1 ZINC000449136787 527646727 /nfs/dbraw/zinc/64/67/27/527646727.db2.gz CGOYTONFHMEMTB-UHFFFAOYSA-N 1 3 296.499 3.292 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cc3ccccc3c(OC)c2)C1 ZINC000449089906 527742883 /nfs/dbraw/zinc/74/28/83/527742883.db2.gz LTTLASURRYZCDF-HNNXBMFYSA-N 1 3 298.430 3.280 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423304826 527782167 /nfs/dbraw/zinc/78/21/67/527782167.db2.gz ZQUTVWPJIWRRIB-CABCVRRESA-N 1 3 278.440 3.357 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423440939 528165289 /nfs/dbraw/zinc/16/52/89/528165289.db2.gz ITKLMOTYLZWYKR-IHRRRGAJSA-N 1 3 264.413 3.108 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000414079184 528255273 /nfs/dbraw/zinc/25/52/73/528255273.db2.gz SOGXLDCJZPYMQO-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423264326 528533329 /nfs/dbraw/zinc/53/33/29/528533329.db2.gz PXMVGEYCYRAHLS-DYVFJYSZSA-N 1 3 256.393 3.474 20 0 CGADHO CCOCC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000367386284 528567305 /nfs/dbraw/zinc/56/73/05/528567305.db2.gz QXVOLZAEGDHXRK-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CCCCOc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1OC ZINC000423297418 528688791 /nfs/dbraw/zinc/68/87/91/528688791.db2.gz KFMJQGYHKAEUEQ-UONOGXRCSA-N 1 3 294.439 3.120 20 0 CGADHO CCCCOc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1OC ZINC000423297416 528691461 /nfs/dbraw/zinc/69/14/61/528691461.db2.gz KFMJQGYHKAEUEQ-KBPBESRZSA-N 1 3 294.439 3.120 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](Cc1cccc(OC)c1)C1CC1 ZINC000423287770 528954371 /nfs/dbraw/zinc/95/43/71/528954371.db2.gz OLKNCCWCGKAIDI-QGZVFWFLSA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)[C@H]([NH2+]CC1(N)CCC1)c1ccc(F)c(F)c1 ZINC000423327337 529119609 /nfs/dbraw/zinc/11/96/09/529119609.db2.gz MWKOZCAITRYMLL-AWEZNQCLSA-N 1 3 268.351 3.133 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCNCC1(C)C)c1ccccc1 ZINC000414963244 529369601 /nfs/dbraw/zinc/36/96/01/529369601.db2.gz CYXHAWKDBIGNSX-GDBMZVCRSA-N 1 3 260.425 3.158 20 0 CGADHO CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483489998 534950406 /nfs/dbraw/zinc/95/04/06/534950406.db2.gz HNASNQLTUXVPRC-ZWKOTPCHSA-N 1 3 272.436 3.383 20 0 CGADHO CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483489998 534950410 /nfs/dbraw/zinc/95/04/10/534950410.db2.gz HNASNQLTUXVPRC-ZWKOTPCHSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483489998 534950415 /nfs/dbraw/zinc/95/04/15/534950415.db2.gz HNASNQLTUXVPRC-ZWKOTPCHSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483489998 534950420 /nfs/dbraw/zinc/95/04/20/534950420.db2.gz HNASNQLTUXVPRC-ZWKOTPCHSA-N 1 3 272.436 3.383 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000494329258 535087185 /nfs/dbraw/zinc/08/71/85/535087185.db2.gz FHKATPHHVGIYGE-KLAILNCOSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000494329258 535087192 /nfs/dbraw/zinc/08/71/92/535087192.db2.gz FHKATPHHVGIYGE-KLAILNCOSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000494329258 535087197 /nfs/dbraw/zinc/08/71/97/535087197.db2.gz FHKATPHHVGIYGE-KLAILNCOSA-N 1 3 296.499 3.290 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000483500240 535351345 /nfs/dbraw/zinc/35/13/45/535351345.db2.gz GVUFJHJPISTSNX-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000483500240 535351348 /nfs/dbraw/zinc/35/13/48/535351348.db2.gz GVUFJHJPISTSNX-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]CC2(C)CCCC2)cc1 ZINC000731452848 572414372 /nfs/dbraw/zinc/41/43/72/572414372.db2.gz QAGUXARDIMVWDG-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CCC(C)(C)SC)C1 ZINC000876770560 634896878 /nfs/dbraw/zinc/89/68/78/634896878.db2.gz HMDOCFDYPUFVDE-AWEZNQCLSA-N 1 3 272.502 3.182 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCC(C)(C)SC)C1 ZINC000876770560 634896881 /nfs/dbraw/zinc/89/68/81/634896881.db2.gz HMDOCFDYPUFVDE-AWEZNQCLSA-N 1 3 272.502 3.182 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876770560 634896884 /nfs/dbraw/zinc/89/68/84/634896884.db2.gz HMDOCFDYPUFVDE-AWEZNQCLSA-N 1 3 272.502 3.182 20 0 CGADHO Cc1cccc2c1[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000926542222 618731332 /nfs/dbraw/zinc/73/13/32/618731332.db2.gz QLOHJJIYWCDVBS-HMQMGEFJSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1cccc2c1[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000926542222 618731336 /nfs/dbraw/zinc/73/13/36/618731336.db2.gz QLOHJJIYWCDVBS-HMQMGEFJSA-N 1 3 270.420 3.197 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000250324200 618743533 /nfs/dbraw/zinc/74/35/33/618743533.db2.gz NQEXJIJDAQQBDR-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000924529548 618782148 /nfs/dbraw/zinc/78/21/48/618782148.db2.gz VRCMCQCGFYHEHD-GJZGRUSLSA-N 1 3 295.475 3.020 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925619720 619091376 /nfs/dbraw/zinc/09/13/76/619091376.db2.gz QYSKIEXVNLERIH-SOUVJXGZSA-N 1 3 286.410 3.322 20 0 CGADHO Cc1ccsc1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925632278 619098006 /nfs/dbraw/zinc/09/80/06/619098006.db2.gz VYKNJGLTTATKPC-HZPDHXFCSA-N 1 3 292.492 3.357 20 0 CGADHO C1CC12CCC([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC2 ZINC000925651463 619109463 /nfs/dbraw/zinc/10/94/63/619109463.db2.gz DCKFBAYRLUIRHE-SJORKVTESA-N 1 3 276.468 3.467 20 0 CGADHO CCO[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925658063 619113211 /nfs/dbraw/zinc/11/32/11/619113211.db2.gz GMDQTEQVNINMOL-IXDOHACOSA-N 1 3 290.451 3.260 20 0 CGADHO CC(C)(CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C(F)(F)F ZINC000925666477 619119876 /nfs/dbraw/zinc/11/98/76/619119876.db2.gz PRRALYWREAATGI-STQMWFEESA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C(F)(F)F ZINC000925666477 619119882 /nfs/dbraw/zinc/11/98/82/619119882.db2.gz PRRALYWREAATGI-STQMWFEESA-N 1 3 292.389 3.333 20 0 CGADHO C[C@@H](CCc1ccccc1)N1CCC(C)([NH+](C)C)CC1 ZINC000931350416 619150629 /nfs/dbraw/zinc/15/06/29/619150629.db2.gz JNEOQUAKMFGTPG-INIZCTEOSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH+]1CCC(C)(N(C)C)CC1 ZINC000931350416 619150632 /nfs/dbraw/zinc/15/06/32/619150632.db2.gz JNEOQUAKMFGTPG-INIZCTEOSA-N 1 3 274.452 3.424 20 0 CGADHO CCSC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925711651 619157872 /nfs/dbraw/zinc/15/78/72/619157872.db2.gz ZIYZYEPEFAOOIP-CABCVRRESA-N 1 3 282.497 3.030 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccsc1 ZINC000093521206 619202962 /nfs/dbraw/zinc/20/29/62/619202962.db2.gz LERXAZMVZSSZCO-DZGCQCFKSA-N 1 3 266.454 3.191 20 0 CGADHO CC(C)([NH3+])CCN[C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000925739325 619212754 /nfs/dbraw/zinc/21/27/54/619212754.db2.gz VZPKYOWDRMYWSM-CVEARBPZSA-N 1 3 294.414 3.153 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CNCCC1(F)F ZINC000925783957 619246612 /nfs/dbraw/zinc/24/66/12/619246612.db2.gz QAQITVOGULYGAB-DOMZBBRYSA-N 1 3 298.352 3.038 20 0 CGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cnc[nH]2)cc1 ZINC000894176558 619406236 /nfs/dbraw/zinc/40/62/36/619406236.db2.gz UITQKUQYSGOXFQ-HNNXBMFYSA-N 1 3 298.434 3.074 20 0 CGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2cnc[nH]2)cc1 ZINC000894176558 619406238 /nfs/dbraw/zinc/40/62/38/619406238.db2.gz UITQKUQYSGOXFQ-HNNXBMFYSA-N 1 3 298.434 3.074 20 0 CGADHO C[NH+]1CCC(CN2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000894773690 619628244 /nfs/dbraw/zinc/62/82/44/619628244.db2.gz WESREAJHGIQONC-QGZVFWFLSA-N 1 3 294.389 3.444 20 0 CGADHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000066245826 619739686 /nfs/dbraw/zinc/73/96/86/619739686.db2.gz PCBCJDZKNJZABZ-MRXNPFEDSA-N 1 3 288.439 3.277 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H](C)N(C)C ZINC000895293744 619798924 /nfs/dbraw/zinc/79/89/24/619798924.db2.gz KYNODSXQOKASFN-ZIAGYGMSSA-N 1 3 266.404 3.077 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000927024307 620563994 /nfs/dbraw/zinc/56/39/94/620563994.db2.gz GYYBAXLPIZATFO-BPQIPLTHSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H](CC(F)(F)F)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373166 621278179 /nfs/dbraw/zinc/27/81/79/621278179.db2.gz AUTWPZFPMCWPDG-QWRGUYRKSA-N 1 3 266.351 3.085 20 0 CGADHO CCO[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902375492 621279429 /nfs/dbraw/zinc/27/94/29/621279429.db2.gz IAXRRQWYZVNASY-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000902412541 621297517 /nfs/dbraw/zinc/29/75/17/621297517.db2.gz CSDCGDXSXLVVOZ-GFCCVEGCSA-N 1 3 282.840 3.348 20 0 CGADHO CC(C)(CN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000902430922 621315299 /nfs/dbraw/zinc/31/52/99/621315299.db2.gz JYQFLOFCXSVDCJ-IRXDYDNUSA-N 1 3 288.435 3.174 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000902432192 621316191 /nfs/dbraw/zinc/31/61/91/621316191.db2.gz OGXHQRBTNSUBCZ-JKSUJKDBSA-N 1 3 264.457 3.181 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)[C@H](C)c1ccc(Cl)cc1 ZINC000902467625 621339336 /nfs/dbraw/zinc/33/93/36/621339336.db2.gz PUEJXSWZKAASND-KCGURWGYSA-N 1 3 278.827 3.315 20 0 CGADHO CC1CCC(N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903381900 621723778 /nfs/dbraw/zinc/72/37/78/621723778.db2.gz AZJPHCKGHNDRSR-PREGVCBESA-N 1 3 275.440 3.243 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424936 621751371 /nfs/dbraw/zinc/75/13/71/621751371.db2.gz MISJQDWPFSSYRA-SLBVQIDZSA-N 1 3 294.389 3.095 20 0 CGADHO c1cc2ccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454372 621761515 /nfs/dbraw/zinc/76/15/15/621761515.db2.gz ZCOYZZKLQRGLDN-SJLPKXTDSA-N 1 3 283.419 3.132 20 0 CGADHO NCCC[N@H+](CC1CCCC1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903452918 621761664 /nfs/dbraw/zinc/76/16/64/621761664.db2.gz WOEALYRIBPMHTF-QDMKHBRRSA-N 1 3 286.410 3.119 20 0 CGADHO NCCC[N@@H+](CC1CCCC1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903452918 621761666 /nfs/dbraw/zinc/76/16/66/621761666.db2.gz WOEALYRIBPMHTF-QDMKHBRRSA-N 1 3 286.410 3.119 20 0 CGADHO C[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@@H]1C[NH3+] ZINC000904410485 621919435 /nfs/dbraw/zinc/91/94/35/621919435.db2.gz FXXOVPYCMUMYLO-TZMCWYRMSA-N 1 3 293.480 3.217 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCNC1)c1csc2ccccc12 ZINC000904484914 621926245 /nfs/dbraw/zinc/92/62/45/621926245.db2.gz QKAGSRKOXTYTCD-RYUDHWBXSA-N 1 3 260.406 3.304 20 0 CGADHO CO[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000163911776 622808316 /nfs/dbraw/zinc/80/83/16/622808316.db2.gz UHEBWDMJXBXVII-ZWKOTPCHSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H]1CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000163911776 622808319 /nfs/dbraw/zinc/80/83/19/622808319.db2.gz UHEBWDMJXBXVII-ZWKOTPCHSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925472104 624423882 /nfs/dbraw/zinc/42/38/82/624423882.db2.gz ABKMXEQTCYHCPX-HUUCEWRRSA-N 1 3 290.838 3.231 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)N1CCCCC1 ZINC000921989506 625953966 /nfs/dbraw/zinc/95/39/66/625953966.db2.gz FPEVXBYYRLUDCO-VSZNYVQBSA-N 1 3 294.483 3.046 20 0 CGADHO COC[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000922946456 626105051 /nfs/dbraw/zinc/10/50/51/626105051.db2.gz JEDSICOOPWHACM-INIZCTEOSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H]1[C@@H](c2ccccc2)CCN1CCC[NH2+]C1CC1 ZINC000923316580 626144821 /nfs/dbraw/zinc/14/48/21/626144821.db2.gz KRNJIAOMYDNGMD-YOEHRIQHSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCNC1CC1 ZINC000923316580 626144823 /nfs/dbraw/zinc/14/48/23/626144823.db2.gz KRNJIAOMYDNGMD-YOEHRIQHSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCNC1CC1 ZINC000923316580 626144828 /nfs/dbraw/zinc/14/48/28/626144828.db2.gz KRNJIAOMYDNGMD-YOEHRIQHSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@]1(Cc2cc(Cl)cs2)CCCN1CCC[NH3+] ZINC000923531477 626161695 /nfs/dbraw/zinc/16/16/95/626161695.db2.gz RTNUUEFPRYBAKF-CYBMUJFWSA-N 1 3 272.845 3.147 20 0 CGADHO C[C@H]1C[N@H+](CC[C@@H]2CCCN2C)Cc2ccccc21 ZINC000767355789 627401168 /nfs/dbraw/zinc/40/11/68/627401168.db2.gz VHJKHYVMSWJLIJ-HOCLYGCPSA-N 1 3 258.409 3.090 20 0 CGADHO C[C@H]1C[N@@H+](CC[C@@H]2CCCN2C)Cc2ccccc21 ZINC000767355789 627401169 /nfs/dbraw/zinc/40/11/69/627401169.db2.gz VHJKHYVMSWJLIJ-HOCLYGCPSA-N 1 3 258.409 3.090 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000125156298 634605130 /nfs/dbraw/zinc/60/51/30/634605130.db2.gz NXSBWGKEXCCOGM-GOSISDBHSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000125156298 634605134 /nfs/dbraw/zinc/60/51/34/634605134.db2.gz NXSBWGKEXCCOGM-GOSISDBHSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000125156298 634605141 /nfs/dbraw/zinc/60/51/41/634605141.db2.gz NXSBWGKEXCCOGM-GOSISDBHSA-N 1 3 290.426 3.489 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCc2ccccc21 ZINC000799174696 630151950 /nfs/dbraw/zinc/15/19/50/630151950.db2.gz REHUHMRCGUPLHD-QGZVFWFLSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@H+](CCCN1CCCC1)C[C@H]1CCc2ccccc21 ZINC000799174696 630151953 /nfs/dbraw/zinc/15/19/53/630151953.db2.gz REHUHMRCGUPLHD-QGZVFWFLSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@@H+](CCCN1CCCC1)C[C@H]1CCc2ccccc21 ZINC000799174696 630151955 /nfs/dbraw/zinc/15/19/55/630151955.db2.gz REHUHMRCGUPLHD-QGZVFWFLSA-N 1 3 272.436 3.134 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000815578748 631799623 /nfs/dbraw/zinc/79/96/23/631799623.db2.gz VMYLHBMIFXIYDM-KGLIPLIRSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000815578748 631799626 /nfs/dbraw/zinc/79/96/26/631799626.db2.gz VMYLHBMIFXIYDM-KGLIPLIRSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000817932360 632236252 /nfs/dbraw/zinc/23/62/52/632236252.db2.gz VWGWCIUMAQTDOF-GUDVDZBRSA-N 1 3 296.414 3.071 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000817945966 632243550 /nfs/dbraw/zinc/24/35/50/632243550.db2.gz OPOQPTDGPSCUHA-WMLDXEAASA-N 1 3 288.435 3.052 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cc(O)ccc1F ZINC000872072000 633993345 /nfs/dbraw/zinc/99/33/45/633993345.db2.gz BLXJSBQOEICHOJ-CQSZACIVSA-N 1 3 294.414 3.448 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)s1 ZINC000873224288 634291011 /nfs/dbraw/zinc/29/10/11/634291011.db2.gz ZVPINQXZIWXEMS-HNNXBMFYSA-N 1 3 266.454 3.253 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)s1 ZINC000873224288 634291016 /nfs/dbraw/zinc/29/10/16/634291016.db2.gz ZVPINQXZIWXEMS-HNNXBMFYSA-N 1 3 266.454 3.253 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148008 635377947 /nfs/dbraw/zinc/37/79/47/635377947.db2.gz LKQHZYQSPHYHTP-HOTGVXAUSA-N 1 3 296.499 3.244 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148008 635377952 /nfs/dbraw/zinc/37/79/52/635377952.db2.gz LKQHZYQSPHYHTP-HOTGVXAUSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(SC(F)F)cc1 ZINC000843129928 635563767 /nfs/dbraw/zinc/56/37/67/635563767.db2.gz UWGDDUOSXRJVMC-UWVGGRQHSA-N 1 3 274.380 3.217 20 0 CGADHO Cc1oc(-c2ccccc2)nc1CN(C)C1CCC([NH3+])CC1 ZINC000843355475 635652758 /nfs/dbraw/zinc/65/27/58/635652758.db2.gz RDXWKUPQATXSIT-UHFFFAOYSA-N 1 3 299.418 3.352 20 0 CGADHO C[C@@H](NCCC[C@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000844922953 635984654 /nfs/dbraw/zinc/98/46/54/635984654.db2.gz DPLQKDXCDFMACE-GRYCIOLGSA-N 1 3 279.255 3.081 20 0 CGADHO C([NH2+][C@@H]1CCCC2(CC2)C1)[C@H]1CCCN(CC2CC2)C1 ZINC000883237718 636606437 /nfs/dbraw/zinc/60/64/37/636606437.db2.gz IPIAVJGLDHYHOS-IAGOWNOFSA-N 1 3 276.468 3.421 20 0 CGADHO Cc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000848987208 636706259 /nfs/dbraw/zinc/70/62/59/636706259.db2.gz MXFKJJNDARFJJC-HUUCEWRRSA-N 1 3 288.439 3.052 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883416147 636748897 /nfs/dbraw/zinc/74/88/97/636748897.db2.gz NCYAUZXZBJMQJF-AVGNSLFASA-N 1 3 260.372 3.014 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883416147 636748901 /nfs/dbraw/zinc/74/89/01/636748901.db2.gz NCYAUZXZBJMQJF-AVGNSLFASA-N 1 3 260.372 3.014 20 0 CGADHO Fc1cccc(/C=C\CNC2CC[NH+](C3CC3)CC2)c1 ZINC000885911601 637311011 /nfs/dbraw/zinc/31/10/11/637311011.db2.gz ZNKNJIXLXXHDRZ-RQOWECAXSA-N 1 3 274.383 3.055 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000886011186 637359999 /nfs/dbraw/zinc/35/99/99/637359999.db2.gz WDBLWFAFZPGUPS-QAPCUYQASA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCCO2)CC1 ZINC000886725806 637675260 /nfs/dbraw/zinc/67/52/60/637675260.db2.gz XOZQPIHTGWMJPI-CGTJXYLNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1(Cl)CC1 ZINC000925215230 638476452 /nfs/dbraw/zinc/47/64/52/638476452.db2.gz CUDOTKRXIOVBGY-GFCCVEGCSA-N 1 3 270.848 3.143 20 0 CGADHO CC(C)OC1CCC(N[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925622240 638547225 /nfs/dbraw/zinc/54/72/25/638547225.db2.gz MNRHPVDULVCNKN-AGERRDQYSA-N 1 3 290.451 3.401 20 0 CGADHO [NH3+][C@H]1C[C@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C12CCC2 ZINC000925673258 638564615 /nfs/dbraw/zinc/56/46/15/638564615.db2.gz CFKRDFIBJFLNSB-APYUEPQZSA-N 1 3 290.838 3.446 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925678814 638566799 /nfs/dbraw/zinc/56/67/99/638566799.db2.gz XHGZAMUEMATOBD-POEZBYADSA-N 1 3 288.410 3.190 20 0 CGADHO C1CC12CCC[C@@H]2[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925726108 638584196 /nfs/dbraw/zinc/58/41/96/638584196.db2.gz YOWHPBPHDDZXPF-XHSDSOJGSA-N 1 3 262.441 3.077 20 0 CGADHO CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)F ZINC000925733074 638587634 /nfs/dbraw/zinc/58/76/34/638587634.db2.gz FQPPUSYEJSFNGW-CHWSQXEVSA-N 1 3 268.351 3.402 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925766339 638603064 /nfs/dbraw/zinc/60/30/64/638603064.db2.gz RDOBCSJPYBIWCE-OSRSDYAFSA-N 1 3 273.424 3.078 20 0 CGADHO CC(C)c1nc([C@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000925802375 638618309 /nfs/dbraw/zinc/61/83/09/638618309.db2.gz FOGXXTFJUREQME-FRRDWIJNSA-N 1 3 281.469 3.163 20 0 CGADHO Cc1ccc(OC[C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858115792 638635416 /nfs/dbraw/zinc/63/54/16/638635416.db2.gz LZHHQJAMAKRKHG-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(OC[C@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115792 638635422 /nfs/dbraw/zinc/63/54/22/638635422.db2.gz LZHHQJAMAKRKHG-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000926717270 638803036 /nfs/dbraw/zinc/80/30/36/638803036.db2.gz FPTRQWMSGTXPPU-AWEZNQCLSA-N 1 3 288.426 3.378 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2C(C)(C)C2(F)F)CC1 ZINC000926717270 638803038 /nfs/dbraw/zinc/80/30/38/638803038.db2.gz FPTRQWMSGTXPPU-AWEZNQCLSA-N 1 3 288.426 3.378 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000926739092 638805646 /nfs/dbraw/zinc/80/56/46/638805646.db2.gz XLNIYGNBGARRQO-ZDUSSCGKSA-N 1 3 274.399 3.132 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000926897270 638822693 /nfs/dbraw/zinc/82/26/93/638822693.db2.gz HEGCTHZODXBNMS-UMVBOHGHSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926897270 638822694 /nfs/dbraw/zinc/82/26/94/638822694.db2.gz HEGCTHZODXBNMS-UMVBOHGHSA-N 1 3 264.388 3.267 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000929998714 638967373 /nfs/dbraw/zinc/96/73/73/638967373.db2.gz GAIZRSOALHZWBK-IKGGRYGDSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000929998714 638967374 /nfs/dbraw/zinc/96/73/74/638967374.db2.gz GAIZRSOALHZWBK-IKGGRYGDSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H](c1ccc(F)nc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000931467801 639155794 /nfs/dbraw/zinc/15/57/94/639155794.db2.gz NZGKSYNLGVGASN-AWEZNQCLSA-N 1 3 291.414 3.090 20 0 CGADHO Cc1cnccc1Nc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC001160256455 806243499 /nfs/dbraw/zinc/24/34/99/806243499.db2.gz KGCXGOIYEFADQY-INIZCTEOSA-N 1 3 281.403 3.098 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522396 806438375 /nfs/dbraw/zinc/43/83/75/806438375.db2.gz FQUVCICXJXXQOG-YOEHRIQHSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522396 806438381 /nfs/dbraw/zinc/43/83/81/806438381.db2.gz FQUVCICXJXXQOG-YOEHRIQHSA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001254526799 806442418 /nfs/dbraw/zinc/44/24/18/806442418.db2.gz URQYEYRHOGNRLY-JYJNAYRXSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001254526799 806442423 /nfs/dbraw/zinc/44/24/23/806442423.db2.gz URQYEYRHOGNRLY-JYJNAYRXSA-N 1 3 250.430 3.125 20 0 CGADHO C[NH+](C)CC[C@H](NC1Cc2ccccc2C1)c1ccccc1 ZINC001255012310 806524401 /nfs/dbraw/zinc/52/44/01/806524401.db2.gz WIICAYXDWQRTIO-FQEVSTJZSA-N 1 3 294.442 3.436 20 0 CGADHO C1=CC[C@@H](CN2CCC([NH2+]C3CCSCC3)CC2)CC1 ZINC001255088368 806539619 /nfs/dbraw/zinc/53/96/19/806539619.db2.gz QKPHMBPCMLWUOV-OAHLLOKOSA-N 1 3 294.508 3.292 20 0 CGADHO Cc1cc2cc(N[C@H]3CCC[C@H]([NH3+])C3)ccc2cn1 ZINC001162404576 806578963 /nfs/dbraw/zinc/57/89/63/806578963.db2.gz OLKIZYJSAGRYTP-GJZGRUSLSA-N 1 3 255.365 3.225 20 0 CGADHO CN([C@@H]1CCSC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001255296700 806598761 /nfs/dbraw/zinc/59/87/61/806598761.db2.gz VEUZULBFUGNTLW-MRXNPFEDSA-N 1 3 282.497 3.221 20 0 CGADHO C[N@H+]([C@@H]1CCSC1)C1CCN(C2CCCCC2)CC1 ZINC001255296700 806598765 /nfs/dbraw/zinc/59/87/65/806598765.db2.gz VEUZULBFUGNTLW-MRXNPFEDSA-N 1 3 282.497 3.221 20 0 CGADHO C[N@@H+]([C@@H]1CCSC1)C1CCN(C2CCCCC2)CC1 ZINC001255296700 806598768 /nfs/dbraw/zinc/59/87/68/806598768.db2.gz VEUZULBFUGNTLW-MRXNPFEDSA-N 1 3 282.497 3.221 20 0 CGADHO Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cnc1Cl ZINC001255668922 806700572 /nfs/dbraw/zinc/70/05/72/806700572.db2.gz PFLSRSQEEKXYAL-GOOCMWNKSA-N 1 3 293.842 3.148 20 0 CGADHO NC[C@@H]1CCCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000312754141 799228352 /nfs/dbraw/zinc/22/83/52/799228352.db2.gz WNRLJFQABOARTF-HNNXBMFYSA-N 1 3 268.404 3.401 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000312754141 799228356 /nfs/dbraw/zinc/22/83/56/799228356.db2.gz WNRLJFQABOARTF-HNNXBMFYSA-N 1 3 268.404 3.401 20 0 CGADHO CC(C)([NH3+])c1ccccc1N[C@@H]1CNCc2ccsc21 ZINC001163231575 806732080 /nfs/dbraw/zinc/73/20/80/806732080.db2.gz WVYKHBWRMQCCAM-CQSZACIVSA-N 1 3 287.432 3.198 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000381951868 799390916 /nfs/dbraw/zinc/39/09/16/799390916.db2.gz CWVRRDKVHOXYDA-RDHHWEPZSA-N 1 3 264.457 3.419 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc3c1NCCC3)C2 ZINC000394114844 799494244 /nfs/dbraw/zinc/49/42/44/799494244.db2.gz AFZULELXCNRJNS-JWTNVVGKSA-N 1 3 299.462 3.102 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc3c1NCCC3)C2 ZINC000394114844 799494249 /nfs/dbraw/zinc/49/42/49/799494249.db2.gz AFZULELXCNRJNS-JWTNVVGKSA-N 1 3 299.462 3.102 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798257 806758420 /nfs/dbraw/zinc/75/84/20/806758420.db2.gz YVOJLYAIFWPRFO-BHIYHBOVSA-N 1 3 286.463 3.200 20 0 CGADHO CCC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798257 806758424 /nfs/dbraw/zinc/75/84/24/806758424.db2.gz YVOJLYAIFWPRFO-BHIYHBOVSA-N 1 3 286.463 3.200 20 0 CGADHO CN(C)C1(C)CC[NH+](CCCc2ccccc2)CC1 ZINC000585133841 799680277 /nfs/dbraw/zinc/68/02/77/799680277.db2.gz XGSHJFXJELZEKL-UHFFFAOYSA-N 1 3 260.425 3.035 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000700822393 799881074 /nfs/dbraw/zinc/88/10/74/799881074.db2.gz FPAGVORWRFCNAT-IYXRBSQSSA-N 1 3 292.389 3.429 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC001255950230 806794329 /nfs/dbraw/zinc/79/43/29/806794329.db2.gz FTAVMSCZILCMHW-GTPINHCMSA-N 1 3 284.488 3.292 20 0 CGADHO CCOc1ccc(CC[NH2+][C@@H](C)CCN(CC)CC)cc1 ZINC001255943868 806791487 /nfs/dbraw/zinc/79/14/87/806791487.db2.gz QJIKLSFSQPUWGV-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC001255945073 806791853 /nfs/dbraw/zinc/79/18/53/806791853.db2.gz DKBZZLSYRRSATI-CHWSQXEVSA-N 1 3 262.388 3.274 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CCCC(C)(C)O ZINC001255947887 806794161 /nfs/dbraw/zinc/79/41/61/806794161.db2.gz YKWSLIZRZBUKRX-HUUCEWRRSA-N 1 3 272.477 3.026 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)C[C@H](C)N1 ZINC000708851598 799998028 /nfs/dbraw/zinc/99/80/28/799998028.db2.gz VMHMTPNFGJLNPA-FSDCSDTHSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)C[C@H](C)N1 ZINC000708851598 799998034 /nfs/dbraw/zinc/99/80/34/799998034.db2.gz VMHMTPNFGJLNPA-FSDCSDTHSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CC([N@@H+]2CC[C@@H](C3CCCCC3)C2)C[C@@H](C)N1 ZINC000708851599 799998443 /nfs/dbraw/zinc/99/84/43/799998443.db2.gz VMHMTPNFGJLNPA-IIAWOOMASA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CC([N@H+]2CC[C@@H](C3CCCCC3)C2)C[C@@H](C)N1 ZINC000708851599 799998449 /nfs/dbraw/zinc/99/84/49/799998449.db2.gz VMHMTPNFGJLNPA-IIAWOOMASA-N 1 3 264.457 3.418 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001255953830 806796364 /nfs/dbraw/zinc/79/63/64/806796364.db2.gz VRVDQEZCKNUNIS-GOEBONIOSA-N 1 3 292.492 3.413 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc2C1 ZINC001255952713 806796766 /nfs/dbraw/zinc/79/67/66/806796766.db2.gz GUHHWLDYZXLMGG-RDTXWAMCSA-N 1 3 292.442 3.393 20 0 CGADHO CCOC1CCC([NH2+][C@H](C)CCN(CC)CC)CC1 ZINC001255953127 806796847 /nfs/dbraw/zinc/79/68/47/806796847.db2.gz JDMYFVIKAMXEIY-QQFBHYJXSA-N 1 3 270.461 3.044 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1 ZINC000715255017 800132607 /nfs/dbraw/zinc/13/26/07/800132607.db2.gz JDGKTFJFZXBWJO-CBBWQLFWSA-N 1 3 270.486 3.123 20 0 CGADHO CSCc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000725124927 800374253 /nfs/dbraw/zinc/37/42/53/800374253.db2.gz XUDIXJXSSRQACE-INIZCTEOSA-N 1 3 290.476 3.124 20 0 CGADHO CCCCC[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681953 806946907 /nfs/dbraw/zinc/94/69/07/806946907.db2.gz FHDAYVJDHDBGHJ-GTPINHCMSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CCCCC1 ZINC001256682198 806947479 /nfs/dbraw/zinc/94/74/79/806947479.db2.gz GDTLWAIANIRJDM-FAEJEUNOSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H](C)C[N@H+](C)C(C)C ZINC001117647376 802474385 /nfs/dbraw/zinc/47/43/85/802474385.db2.gz CFWADKPSSDDIQG-AWEZNQCLSA-N 1 3 271.408 3.106 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H](C)C[N@@H+](C)C(C)C ZINC001117647376 802474389 /nfs/dbraw/zinc/47/43/89/802474389.db2.gz CFWADKPSSDDIQG-AWEZNQCLSA-N 1 3 271.408 3.106 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC001119623573 802686036 /nfs/dbraw/zinc/68/60/36/802686036.db2.gz IZPASPIKNQLSMS-MAUKXSAKSA-N 1 3 287.451 3.244 20 0 CGADHO CCCCCC[C@H](O)CNC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001120496622 802746719 /nfs/dbraw/zinc/74/67/19/802746719.db2.gz GLUCZQXXIKKDHB-HOTGVXAUSA-N 1 3 284.488 3.028 20 0 CGADHO CCCCCC[C@H](O)CNC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001120496622 802746722 /nfs/dbraw/zinc/74/67/22/802746722.db2.gz GLUCZQXXIKKDHB-HOTGVXAUSA-N 1 3 284.488 3.028 20 0 CGADHO CCC1CCC(N2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001256869417 806995303 /nfs/dbraw/zinc/99/53/03/806995303.db2.gz HRLABDDGHDAUMD-UHFFFAOYSA-N 1 3 287.451 3.300 20 0 CGADHO NCc1nn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256901369 807003555 /nfs/dbraw/zinc/00/35/55/807003555.db2.gz VWNDJOTWUASJER-HNNXBMFYSA-N 1 3 298.434 3.075 20 0 CGADHO NCc1nn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256901369 807003562 /nfs/dbraw/zinc/00/35/62/807003562.db2.gz VWNDJOTWUASJER-HNNXBMFYSA-N 1 3 298.434 3.075 20 0 CGADHO c1cc2c[nH]cc(NCC3C[NH+](Cc4ccccc4)C3)c-2n1 ZINC001165455474 807004310 /nfs/dbraw/zinc/00/43/10/807004310.db2.gz XGDRVHJGGXWOOA-UHFFFAOYSA-N 1 3 292.386 3.107 20 0 CGADHO c1cc2c[nH+]cc(NCC3CN(Cc4ccccc4)C3)c2[nH]1 ZINC001165455474 807004318 /nfs/dbraw/zinc/00/43/18/807004318.db2.gz XGDRVHJGGXWOOA-UHFFFAOYSA-N 1 3 292.386 3.107 20 0 CGADHO CN1CCCC[C@@H]1c1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243895005 803065061 /nfs/dbraw/zinc/06/50/61/803065061.db2.gz VBDCTVXNGLEYDC-SUQGKYDKSA-N 1 3 285.435 3.251 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](COC)CC(C)(C)C ZINC001207858699 813661022 /nfs/dbraw/zinc/66/10/22/813661022.db2.gz ZHOYMINAGBULOV-LSDHHAIUSA-N 1 3 272.477 3.148 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@@H](COC)CC(C)(C)C ZINC001207858699 813661027 /nfs/dbraw/zinc/66/10/27/813661027.db2.gz ZHOYMINAGBULOV-LSDHHAIUSA-N 1 3 272.477 3.148 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]C2CCC(C)CC2)CCN1 ZINC001246063758 804107020 /nfs/dbraw/zinc/10/70/20/804107020.db2.gz CVXULYMIJVHFNZ-QDIHITRGSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246073279 804110070 /nfs/dbraw/zinc/11/00/70/804110070.db2.gz WMFSHLRITIPUGU-VQTJNVASSA-N 1 3 294.442 3.448 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246075388 804114578 /nfs/dbraw/zinc/11/45/78/804114578.db2.gz SXYOWPHNOWNITB-DLBZAZTESA-N 1 3 278.415 3.269 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083156 804118655 /nfs/dbraw/zinc/11/86/55/804118655.db2.gz FAOQSQAMIGYZAG-RYQLBKOJSA-N 1 3 274.452 3.374 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccccc2)CC[NH2+]1 ZINC001246092349 804123741 /nfs/dbraw/zinc/12/37/41/804123741.db2.gz AOCRLJHTVSILTM-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CCc2ccccc2)CCN1 ZINC001246092349 804123746 /nfs/dbraw/zinc/12/37/46/804123746.db2.gz AOCRLJHTVSILTM-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@H]1C ZINC001246098178 804129880 /nfs/dbraw/zinc/12/98/80/804129880.db2.gz PMTAIHYTPYFEAN-NXHRZFHOSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246099823 804131567 /nfs/dbraw/zinc/13/15/67/804131567.db2.gz KLEYNUFHOPBBBS-LLVKDONJSA-N 1 3 287.234 3.178 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CCN[C@@H]2C)CC1 ZINC001246103137 804134985 /nfs/dbraw/zinc/13/49/85/804134985.db2.gz UYIMNPNBEPKPBI-XSCHDIRWSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001246102148 804135515 /nfs/dbraw/zinc/13/55/15/804135515.db2.gz RGGJEYLXZJKROP-FRRDWIJNSA-N 1 3 298.883 3.408 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@@H]1CCC[NH2+][C@H]1C ZINC001246113261 804145128 /nfs/dbraw/zinc/14/51/28/804145128.db2.gz TVQBXKZOFWJERV-AGIUHOORSA-N 1 3 298.833 3.388 20 0 CGADHO CCCCC[C@@H](CC)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116754 804147952 /nfs/dbraw/zinc/14/79/52/804147952.db2.gz WPELWVZTLICHOO-OLZOCXBDSA-N 1 3 280.378 3.477 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+][C@H]1COCCC12CNC2 ZINC001246137334 804160860 /nfs/dbraw/zinc/16/08/60/804160860.db2.gz IIRKQWCTUGKXCV-SJORKVTESA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC[C@@H](CCCC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246137334 804160863 /nfs/dbraw/zinc/16/08/63/804160863.db2.gz IIRKQWCTUGKXCV-SJORKVTESA-N 1 3 296.499 3.484 20 0 CGADHO CCC[C@H](Cc1ccccc1)NC[C@H]1CCCC[NH2+]1 ZINC001246169387 804184357 /nfs/dbraw/zinc/18/43/57/804184357.db2.gz NGIFKKJOSLNDIQ-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246178681 804191972 /nfs/dbraw/zinc/19/19/72/804191972.db2.gz OBXXYPKQPCBNCV-DOMZBBRYSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246210327 804208937 /nfs/dbraw/zinc/20/89/37/804208937.db2.gz MPYGSNDTQTYEJD-HJZRJOMTSA-N 1 3 286.463 3.376 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC001246213063 804210574 /nfs/dbraw/zinc/21/05/74/804210574.db2.gz XLUGUKGJXYDTAO-YWPYICTPSA-N 1 3 298.883 3.408 20 0 CGADHO CCCC[C@@H](CC)COCCC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246217102 804211476 /nfs/dbraw/zinc/21/14/76/804211476.db2.gz PUQVJFQJQXCGCE-BRWVUGGUSA-N 1 3 284.488 3.340 20 0 CGADHO CC(C)(C)C1CCC([NH2+]C[C@H]2CNCC[C@H]2F)CC1 ZINC001246220541 804215210 /nfs/dbraw/zinc/21/52/10/804215210.db2.gz GEYSTZBJIYTXFY-XSCHDIRWSA-N 1 3 270.436 3.129 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246224298 804218762 /nfs/dbraw/zinc/21/87/62/804218762.db2.gz VYONIEUTQSJPTD-BYNSBNAKSA-N 1 3 258.425 3.129 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC001246240588 804232394 /nfs/dbraw/zinc/23/23/94/804232394.db2.gz RPCDWLGERGJIHU-CVEARBPZSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1CC[C@H](NCCC2CCCCCCC2)C[NH2+]1 ZINC001246240749 804232505 /nfs/dbraw/zinc/23/25/05/804232505.db2.gz WTOGAXGKYKDDAV-HOCLYGCPSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246266508 804245926 /nfs/dbraw/zinc/24/59/26/804245926.db2.gz GQJAIVAJCYMUET-NXOAAHMSSA-N 1 3 272.436 3.299 20 0 CGADHO C[NH2+]CC[C@@H](C)NCCc1cc(Cl)cc(Cl)c1 ZINC001246268587 804248191 /nfs/dbraw/zinc/24/81/91/804248191.db2.gz WOHYVIWGHWHUPQ-SNVBAGLBSA-N 1 3 275.223 3.124 20 0 CGADHO CC[C@@H]1CC(N[C@@H]2C[C@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246274289 804251153 /nfs/dbraw/zinc/25/11/53/804251153.db2.gz YRZPISIYLUDILM-XYVMCAHJSA-N 1 3 272.436 3.441 20 0 CGADHO CCCCCC(CCCCC)[NH2+][C@]1(CCO)CCNC1 ZINC001246298174 804266252 /nfs/dbraw/zinc/26/62/52/804266252.db2.gz ZXSAZHUNNGIJDF-KRWDZBQOSA-N 1 3 284.488 3.220 20 0 CGADHO CCc1ccc(C[C@@H](C)NC[C@H]([NH3+])CC(C)C)cc1 ZINC001246313479 804275613 /nfs/dbraw/zinc/27/56/13/804275613.db2.gz UAVNYWVQZVHXHR-RHSMWYFYSA-N 1 3 262.441 3.143 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246313655 804275912 /nfs/dbraw/zinc/27/59/12/804275912.db2.gz VIZSFTOAJORKJB-UONOGXRCSA-N 1 3 280.843 3.160 20 0 CGADHO COc1ccc2cccc(CC[NH2+][C@@H]3CCN[C@H](C)C3)c2c1 ZINC001246317287 804277360 /nfs/dbraw/zinc/27/73/60/804277360.db2.gz WCHHLBWLXXLIOV-RHSMWYFYSA-N 1 3 298.430 3.121 20 0 CGADHO CCCCCC[C@H](C)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246323426 804280304 /nfs/dbraw/zinc/28/03/04/804280304.db2.gz DVFZYYAKZAGFIH-HNNXBMFYSA-N 1 3 298.471 3.010 20 0 CGADHO CCCCCC[C@H](C)NC1(CC(=O)OCC)CC[NH2+]CC1 ZINC001246323426 804280311 /nfs/dbraw/zinc/28/03/11/804280311.db2.gz DVFZYYAKZAGFIH-HNNXBMFYSA-N 1 3 298.471 3.010 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CCN1 ZINC001246335603 804289604 /nfs/dbraw/zinc/28/96/04/804289604.db2.gz RQUBCYMDKHPIMW-QKPAOTATSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@@H]2CC23CCCC3)CC[NH2+]1 ZINC001246336190 804290689 /nfs/dbraw/zinc/29/06/89/804290689.db2.gz TYKWAURFAHCHLZ-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC001246345495 804295987 /nfs/dbraw/zinc/29/59/87/804295987.db2.gz BLOUYINMZCOKBY-ILXRZTDVSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246347551 804297529 /nfs/dbraw/zinc/29/75/29/804297529.db2.gz PRVACJNPXQCMLW-XMTFNYHQSA-N 1 3 272.436 3.270 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)CC2)CCN1 ZINC001246358307 804303985 /nfs/dbraw/zinc/30/39/85/804303985.db2.gz CVXULYMIJVHFNZ-QKPAOTATSA-N 1 3 252.446 3.466 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC001246375728 804310700 /nfs/dbraw/zinc/31/07/00/804310700.db2.gz KGPMXKVRNHFISN-PBHICJAKSA-N 1 3 274.452 3.158 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246377314 804311312 /nfs/dbraw/zinc/31/13/12/804311312.db2.gz NKCHJBREFXQRTF-HZPDHXFCSA-N 1 3 292.854 3.175 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246384152 804315326 /nfs/dbraw/zinc/31/53/26/804315326.db2.gz AIPPEYAHKGVTOE-IRXDYDNUSA-N 1 3 290.426 3.267 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246417688 804326406 /nfs/dbraw/zinc/32/64/06/804326406.db2.gz OIGQFUCEZHLGQC-CVEARBPZSA-N 1 3 299.503 3.088 20 0 CGADHO CCC1([NH2+][C@H](C)Cc2cccc(Cl)c2)CCNCC1 ZINC001246424339 804327972 /nfs/dbraw/zinc/32/79/72/804327972.db2.gz QVMMLTOCGIBXRD-CYBMUJFWSA-N 1 3 280.843 3.393 20 0 CGADHO CCCC[C@@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246446561 804335379 /nfs/dbraw/zinc/33/53/79/804335379.db2.gz MAOIWELJAWEORP-CQSZACIVSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@H](CC(C)C)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461617 804341692 /nfs/dbraw/zinc/34/16/92/804341692.db2.gz NRIIEFSJQAXBIK-HZPDHXFCSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1CC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[C@H]1C ZINC001246463437 804344486 /nfs/dbraw/zinc/34/44/86/804344486.db2.gz VOZALEQGSPJSLY-MUIFIZLQSA-N 1 3 264.457 3.323 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)CCN1 ZINC001246465677 804346787 /nfs/dbraw/zinc/34/67/87/804346787.db2.gz LFRMDOFZHKVTEN-GVDBMIGSSA-N 1 3 272.436 3.227 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246472787 804349313 /nfs/dbraw/zinc/34/93/13/804349313.db2.gz IWXMQVJNZSDSGO-RRFJBIMHSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)CCC[C@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246493393 804358501 /nfs/dbraw/zinc/35/85/01/804358501.db2.gz GOXVNPUFTCUZKR-HNNXBMFYSA-N 1 3 291.483 3.243 20 0 CGADHO CCCCCC[C@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246492225 804359711 /nfs/dbraw/zinc/35/97/11/804359711.db2.gz BZBGVHLJYNMJJG-HNNXBMFYSA-N 1 3 291.483 3.387 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246498754 804361639 /nfs/dbraw/zinc/36/16/39/804361639.db2.gz IVRYIQZPCHJZID-UONOGXRCSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@H](C[NH3+])CC(C)C)cc1 ZINC001246501315 804362684 /nfs/dbraw/zinc/36/26/84/804362684.db2.gz ADEUFRXIWBYBGQ-CABCVRRESA-N 1 3 280.481 3.439 20 0 CGADHO CC(C)[C@@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)C1CNC1 ZINC001246514369 804369301 /nfs/dbraw/zinc/36/93/01/804369301.db2.gz GPAQQVUTCNZIAS-WMLDXEAASA-N 1 3 292.854 3.031 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+](CCC)CC2CC2)CCN1 ZINC001246522609 804376079 /nfs/dbraw/zinc/37/60/79/804376079.db2.gz DWXRPNPNLLNHGD-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+](CCC)CC2CC2)CCN1 ZINC001246522609 804376088 /nfs/dbraw/zinc/37/60/88/804376088.db2.gz DWXRPNPNLLNHGD-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246521061 804377329 /nfs/dbraw/zinc/37/73/29/804377329.db2.gz YVQCAAVEUFHTOV-KRWDZBQOSA-N 1 3 266.473 3.425 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@H](N)CC2)cc1 ZINC001246539239 804389591 /nfs/dbraw/zinc/38/95/91/804389591.db2.gz FWAAYGOKGQALIE-WBVHZDCISA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H](N)CC2)cc1 ZINC001246539239 804389598 /nfs/dbraw/zinc/38/95/98/804389598.db2.gz FWAAYGOKGQALIE-WBVHZDCISA-N 1 3 260.425 3.129 20 0 CGADHO C[C@H]1c2ccccc2CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246548985 804397500 /nfs/dbraw/zinc/39/75/00/804397500.db2.gz ORVJIOMUZHXWDO-DZGCQCFKSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)Cc2ccccc21 ZINC001246548786 804399040 /nfs/dbraw/zinc/39/90/40/804399040.db2.gz OJBNSMZSUFLPFO-ZFWWWQNUSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@]1([NH3+])CCCN([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001246554547 804404299 /nfs/dbraw/zinc/40/42/99/804404299.db2.gz WIKGRMRTVKWPCJ-PBHICJAKSA-N 1 3 294.389 3.025 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001246563178 804411489 /nfs/dbraw/zinc/41/14/89/804411489.db2.gz JGACWQARNLIOJH-DAYGRLMNSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001246563178 804411494 /nfs/dbraw/zinc/41/14/94/804411494.db2.gz JGACWQARNLIOJH-DAYGRLMNSA-N 1 3 274.452 3.239 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246562901 804411721 /nfs/dbraw/zinc/41/17/21/804411721.db2.gz IGPFSFPYJXQPBL-ISTRZQFTSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246562901 804411724 /nfs/dbraw/zinc/41/17/24/804411724.db2.gz IGPFSFPYJXQPBL-ISTRZQFTSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246562031 804412422 /nfs/dbraw/zinc/41/24/22/804412422.db2.gz HONYSSMVOGMCRK-IPYPFGDCSA-N 1 3 280.843 3.330 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246571086 804416671 /nfs/dbraw/zinc/41/66/71/804416671.db2.gz KUGZKWPWIRPYIA-YYIAUSFCSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246571086 804416674 /nfs/dbraw/zinc/41/66/74/804416674.db2.gz KUGZKWPWIRPYIA-YYIAUSFCSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246582852 804427317 /nfs/dbraw/zinc/42/73/17/804427317.db2.gz HTKAMAFAWFVBKT-WMLDXEAASA-N 1 3 278.415 3.208 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246582852 804427322 /nfs/dbraw/zinc/42/73/22/804427322.db2.gz HTKAMAFAWFVBKT-WMLDXEAASA-N 1 3 278.415 3.208 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591948 804433144 /nfs/dbraw/zinc/43/31/44/804433144.db2.gz JYICUDLPVUFBEX-IAGOWNOFSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591948 804433147 /nfs/dbraw/zinc/43/31/47/804433147.db2.gz JYICUDLPVUFBEX-IAGOWNOFSA-N 1 3 292.854 3.258 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001246595006 804435759 /nfs/dbraw/zinc/43/57/59/804435759.db2.gz XHENZTMNYQJUTD-BPQIPLTHSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001246595006 804435760 /nfs/dbraw/zinc/43/57/60/804435760.db2.gz XHENZTMNYQJUTD-BPQIPLTHSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246609795 804445120 /nfs/dbraw/zinc/44/51/20/804445120.db2.gz NLZHAUWYZBHQQM-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246609795 804445123 /nfs/dbraw/zinc/44/51/23/804445123.db2.gz NLZHAUWYZBHQQM-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(C[C@H](C)N2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611969 804446381 /nfs/dbraw/zinc/44/63/81/804446381.db2.gz VETQLMBNUBINPN-PKOBYXMFSA-N 1 3 286.463 3.392 20 0 CGADHO CCC1CCC([N@@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246625713 804457051 /nfs/dbraw/zinc/45/70/51/804457051.db2.gz UCLNUHBZABLBCT-GPANFISMSA-N 1 3 250.430 3.173 20 0 CGADHO CCC1CCC([N@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246625713 804457054 /nfs/dbraw/zinc/45/70/54/804457054.db2.gz UCLNUHBZABLBCT-GPANFISMSA-N 1 3 250.430 3.173 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629696 804460647 /nfs/dbraw/zinc/46/06/47/804460647.db2.gz HHYSBLJPTOHVCY-DLBZAZTESA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629696 804460651 /nfs/dbraw/zinc/46/06/51/804460651.db2.gz HHYSBLJPTOHVCY-DLBZAZTESA-N 1 3 270.420 3.008 20 0 CGADHO CCCC1CCC([N@@H+]2CCC23CCNCC3)CC1 ZINC001246640162 804467138 /nfs/dbraw/zinc/46/71/38/804467138.db2.gz BLFPDOWERHVIDS-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1CCC([N@H+]2CCC23CCNCC3)CC1 ZINC001246640162 804467141 /nfs/dbraw/zinc/46/71/41/804467141.db2.gz BLFPDOWERHVIDS-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246640135 804467671 /nfs/dbraw/zinc/46/76/71/804467671.db2.gz BEKVOECWZOFBQY-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC12CCNCC2 ZINC001246640135 804467674 /nfs/dbraw/zinc/46/76/74/804467674.db2.gz BEKVOECWZOFBQY-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246647985 804475049 /nfs/dbraw/zinc/47/50/49/804475049.db2.gz NSHKBYOSTSMXIR-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCCCC12CCNCC2 ZINC001246647985 804475052 /nfs/dbraw/zinc/47/50/52/804475052.db2.gz NSHKBYOSTSMXIR-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[N@@H+]1CCCC12CCNCC2 ZINC001246648832 804477410 /nfs/dbraw/zinc/47/74/10/804477410.db2.gz ZWXHDSZCMFCWFX-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[N@H+]1CCCC12CCNCC2 ZINC001246648832 804477414 /nfs/dbraw/zinc/47/74/14/804477414.db2.gz ZWXHDSZCMFCWFX-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC(CCCCC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246656148 804481034 /nfs/dbraw/zinc/48/10/34/804481034.db2.gz JBXOQBXDRVVJKR-ZSHCYNCHSA-N 1 3 252.446 3.405 20 0 CGADHO CCCCCC(CCCCC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246656148 804481037 /nfs/dbraw/zinc/48/10/37/804481037.db2.gz JBXOQBXDRVVJKR-ZSHCYNCHSA-N 1 3 252.446 3.405 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658892 804483706 /nfs/dbraw/zinc/48/37/06/804483706.db2.gz QAHLJOBLIOOXSQ-OKZBNKHCSA-N 1 3 272.436 3.211 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246675668 804490757 /nfs/dbraw/zinc/49/07/57/804490757.db2.gz QOWNTMSTFYYKJV-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246675668 804490760 /nfs/dbraw/zinc/49/07/60/804490760.db2.gz QOWNTMSTFYYKJV-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H]1CC([NH+]2CCC(c3ccccc3)CC2)C[C@H](C)N1 ZINC001246688360 804497221 /nfs/dbraw/zinc/49/72/21/804497221.db2.gz GQPUCXXJQJRWCH-GJZGRUSLSA-N 1 3 272.436 3.395 20 0 CGADHO CCCC1CCC([N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001246693736 804499254 /nfs/dbraw/zinc/49/92/54/804499254.db2.gz QKVWOOPUJJQJIY-BHUNQDJPSA-N 1 3 282.447 3.369 20 0 CGADHO CCCC1CCC([N@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001246693736 804499259 /nfs/dbraw/zinc/49/92/59/804499259.db2.gz QKVWOOPUJJQJIY-BHUNQDJPSA-N 1 3 282.447 3.369 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246781592 804508348 /nfs/dbraw/zinc/50/83/48/804508348.db2.gz HNDCGGGABBHUDP-YHXWVGAOSA-N 1 3 262.441 3.028 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246781592 804508357 /nfs/dbraw/zinc/50/83/57/804508357.db2.gz HNDCGGGABBHUDP-YHXWVGAOSA-N 1 3 262.441 3.028 20 0 CGADHO CC(C)[N@H+](CC1CC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246787894 804511245 /nfs/dbraw/zinc/51/12/45/804511245.db2.gz FNIRZAKUCQBOEP-GJZGRUSLSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+](CC1CC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246787894 804511250 /nfs/dbraw/zinc/51/12/50/804511250.db2.gz FNIRZAKUCQBOEP-GJZGRUSLSA-N 1 3 252.446 3.274 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246794067 804517962 /nfs/dbraw/zinc/51/79/62/804517962.db2.gz YNFFTLWXVCVYBR-IRXDYDNUSA-N 1 3 272.436 3.082 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246794067 804517969 /nfs/dbraw/zinc/51/79/69/804517969.db2.gz YNFFTLWXVCVYBR-IRXDYDNUSA-N 1 3 272.436 3.082 20 0 CGADHO CCCCCC1CCC([N@@H+]2CC[C@H](CN)C2)CC1 ZINC001246800435 804521504 /nfs/dbraw/zinc/52/15/04/804521504.db2.gz ZPEZVYALIQLCGP-HWOWSKLDSA-N 1 3 252.446 3.406 20 0 CGADHO CCCCCC1CCC([N@H+]2CC[C@H](CN)C2)CC1 ZINC001246800435 804521508 /nfs/dbraw/zinc/52/15/08/804521508.db2.gz ZPEZVYALIQLCGP-HWOWSKLDSA-N 1 3 252.446 3.406 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC001246840108 804548343 /nfs/dbraw/zinc/54/83/43/804548343.db2.gz FDSNMUXPQIPMIA-JYJNAYRXSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC001246840108 804548349 /nfs/dbraw/zinc/54/83/49/804548349.db2.gz FDSNMUXPQIPMIA-JYJNAYRXSA-N 1 3 254.462 3.379 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1CCN ZINC001246845822 804553246 /nfs/dbraw/zinc/55/32/46/804553246.db2.gz MCPWMSFQMPXMGX-IRXDYDNUSA-N 1 3 260.425 3.211 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]1CCN ZINC001246845822 804553251 /nfs/dbraw/zinc/55/32/51/804553251.db2.gz MCPWMSFQMPXMGX-IRXDYDNUSA-N 1 3 260.425 3.211 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246848497 804558364 /nfs/dbraw/zinc/55/83/64/804558364.db2.gz WCTSCHZDRNXBHO-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246848497 804558371 /nfs/dbraw/zinc/55/83/71/804558371.db2.gz WCTSCHZDRNXBHO-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(n2ccc3ccccc32)CC1 ZINC001246866382 804570291 /nfs/dbraw/zinc/57/02/91/804570291.db2.gz CBFIAUYZANPIJT-OAHLLOKOSA-N 1 3 285.435 3.276 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(Cc2cccc(F)c2)CC1 ZINC001246881831 804578313 /nfs/dbraw/zinc/57/83/13/804578313.db2.gz KADUENINRKWGLL-AWEZNQCLSA-N 1 3 278.415 3.078 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895188 804585570 /nfs/dbraw/zinc/58/55/70/804585570.db2.gz WKTYUPAJLLKABI-IRXDYDNUSA-N 1 3 274.452 3.470 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895188 804585574 /nfs/dbraw/zinc/58/55/74/804585574.db2.gz WKTYUPAJLLKABI-IRXDYDNUSA-N 1 3 274.452 3.470 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901359 804588286 /nfs/dbraw/zinc/58/82/86/804588286.db2.gz MNDHCVIKQISGAR-QWQRMKEZSA-N 1 3 283.419 3.445 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901359 804588291 /nfs/dbraw/zinc/58/82/91/804588291.db2.gz MNDHCVIKQISGAR-QWQRMKEZSA-N 1 3 283.419 3.445 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH+]1CCCNCCC1 ZINC001246907758 804591455 /nfs/dbraw/zinc/59/14/55/804591455.db2.gz VFHCATFJAKACDR-SFHVURJKSA-N 1 3 274.452 3.473 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246908030 804593210 /nfs/dbraw/zinc/59/32/10/804593210.db2.gz KQRDXHPSFRWECL-QGZVFWFLSA-N 1 3 272.436 3.492 20 0 CGADHO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246908030 804593213 /nfs/dbraw/zinc/59/32/13/804593213.db2.gz KQRDXHPSFRWECL-QGZVFWFLSA-N 1 3 272.436 3.492 20 0 CGADHO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246908030 804593217 /nfs/dbraw/zinc/59/32/17/804593217.db2.gz KQRDXHPSFRWECL-QGZVFWFLSA-N 1 3 272.436 3.492 20 0 CGADHO C[C@@H](c1ccccc1Cl)N(C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246912622 804596048 /nfs/dbraw/zinc/59/60/48/804596048.db2.gz ZNEKKKRLSDKQJN-NWDGAFQWSA-N 1 3 296.867 3.180 20 0 CGADHO CC[C@H]1C[C@H](N(CC)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246922351 804602770 /nfs/dbraw/zinc/60/27/70/804602770.db2.gz KQSIISXEOPRTBI-DLBZAZTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@H]([N@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922351 804602772 /nfs/dbraw/zinc/60/27/72/804602772.db2.gz KQSIISXEOPRTBI-DLBZAZTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922351 804602773 /nfs/dbraw/zinc/60/27/73/804602773.db2.gz KQSIISXEOPRTBI-DLBZAZTESA-N 1 3 290.451 3.090 20 0 CGADHO COCC[N@H+](C1CCC(C(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC001246931162 804607701 /nfs/dbraw/zinc/60/77/01/804607701.db2.gz WWDJGLBSHUHBJR-OFLPRAFFSA-N 1 3 296.499 3.292 20 0 CGADHO COCC[N@@H+](C1CCC(C(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC001246931162 804607707 /nfs/dbraw/zinc/60/77/07/804607707.db2.gz WWDJGLBSHUHBJR-OFLPRAFFSA-N 1 3 296.499 3.292 20 0 CGADHO CCc1ccc(C[C@@H](C)N(CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001246946839 804613820 /nfs/dbraw/zinc/61/38/20/804613820.db2.gz IAZUJCYSBATKLA-CRAIPNDOSA-N 1 3 274.452 3.111 20 0 CGADHO CCOCC[N@H+]([C@@H](C)CCCC(C)C)C1CCNCC1 ZINC001246948864 804615221 /nfs/dbraw/zinc/61/52/21/804615221.db2.gz GBJKFSVOEMBXDW-INIZCTEOSA-N 1 3 284.488 3.292 20 0 CGADHO CCOCC[N@@H+]([C@@H](C)CCCC(C)C)C1CCNCC1 ZINC001246948864 804615227 /nfs/dbraw/zinc/61/52/27/804615227.db2.gz GBJKFSVOEMBXDW-INIZCTEOSA-N 1 3 284.488 3.292 20 0 CGADHO CC[C@@H](C)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966802 804621215 /nfs/dbraw/zinc/62/12/15/804621215.db2.gz ZAJBUSNPFQIACC-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966802 804621216 /nfs/dbraw/zinc/62/12/16/804621216.db2.gz ZAJBUSNPFQIACC-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@@H](C)N(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966802 804621218 /nfs/dbraw/zinc/62/12/18/804621218.db2.gz ZAJBUSNPFQIACC-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC001246970395 804622744 /nfs/dbraw/zinc/62/27/44/804622744.db2.gz YRHWRPALZKZJCH-IUODEOHRSA-N 1 3 298.883 3.491 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002877 804635562 /nfs/dbraw/zinc/63/55/62/804635562.db2.gz LZAKHDNJKNIEOI-VGWMRTNUSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002877 804635565 /nfs/dbraw/zinc/63/55/65/804635565.db2.gz LZAKHDNJKNIEOI-VGWMRTNUSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005528 804637613 /nfs/dbraw/zinc/63/76/13/804637613.db2.gz SDRJQBIBVYVWCI-KZNAEPCWSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005528 804637619 /nfs/dbraw/zinc/63/76/19/804637619.db2.gz SDRJQBIBVYVWCI-KZNAEPCWSA-N 1 3 290.426 3.363 20 0 CGADHO CCc1ccc(C[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015211 804643201 /nfs/dbraw/zinc/64/32/01/804643201.db2.gz NKAXISPYISSLII-IPELMVKDSA-N 1 3 286.463 3.254 20 0 CGADHO CC(C)N1CCC([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001257217236 807062283 /nfs/dbraw/zinc/06/22/83/807062283.db2.gz JTHKKIYQPYGCEV-CVEARBPZSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)N1CCC([N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001257217236 807062290 /nfs/dbraw/zinc/06/22/90/807062290.db2.gz JTHKKIYQPYGCEV-CVEARBPZSA-N 1 3 264.457 3.371 20 0 CGADHO CCCC(CCC)[NH+]1CCN(c2ccncc2)CC1 ZINC001257335193 807113382 /nfs/dbraw/zinc/11/33/82/807113382.db2.gz OJDYOVZRAMRLQF-UHFFFAOYSA-N 1 3 261.413 3.172 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCc2nc(C)sc2C1 ZINC001167826598 807255896 /nfs/dbraw/zinc/25/58/96/807255896.db2.gz RCLIWZMTWXSCST-ZDUSSCGKSA-N 1 3 295.496 3.320 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H]2CCCc3cnccc32)CC1 ZINC001258008798 807264674 /nfs/dbraw/zinc/26/46/74/807264674.db2.gz FVNZITUSWPTQNP-SFHVURJKSA-N 1 3 287.451 3.169 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981792 807291019 /nfs/dbraw/zinc/29/10/19/807291019.db2.gz KGDAVFYDRCJXIG-KTFSGNIMSA-N 1 3 262.441 3.266 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981792 807291025 /nfs/dbraw/zinc/29/10/25/807291025.db2.gz KGDAVFYDRCJXIG-KTFSGNIMSA-N 1 3 262.441 3.266 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H]3C[C@H](C)C[C@H](C)C3)C[C@H]2C1 ZINC001258171270 807338434 /nfs/dbraw/zinc/33/84/34/807338434.db2.gz PRKMRBYIDDJSNZ-JJTUDDRGSA-N 1 3 264.457 3.085 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C3C[C@H](C)C[C@@H](C)C3)C[C@H]2C1 ZINC001258171271 807339040 /nfs/dbraw/zinc/33/90/40/807339040.db2.gz PRKMRBYIDDJSNZ-KLHDSHLOSA-N 1 3 264.457 3.085 20 0 CGADHO CN(Cc1cccc(F)c1F)C1CCC([NH+](C)C)CC1 ZINC001168328759 807385896 /nfs/dbraw/zinc/38/58/96/807385896.db2.gz JTCXQLCXHMOFCD-UHFFFAOYSA-N 1 3 282.378 3.269 20 0 CGADHO CC1(C)CCC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001258282365 807394192 /nfs/dbraw/zinc/39/41/92/807394192.db2.gz WFNOGWZSDTWMGR-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(C)CCC[C@H]([NH+]2CCN(c3ccncc3)CC2)C1 ZINC001258283933 807395014 /nfs/dbraw/zinc/39/50/14/807395014.db2.gz UXURZYGTGZFCPU-INIZCTEOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258453670 807459273 /nfs/dbraw/zinc/45/92/73/807459273.db2.gz DYJCBCFQWNYVAU-AWEZNQCLSA-N 1 3 264.457 3.419 20 0 CGADHO CN(C1CC1)C1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258607739 807505064 /nfs/dbraw/zinc/50/50/64/807505064.db2.gz OUOWYHHSOXCPKA-OAHLLOKOSA-N 1 3 250.430 3.124 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCN(c3ccncc3)CC2)CC(C)(C)C1 ZINC001258694346 807549709 /nfs/dbraw/zinc/54/97/09/807549709.db2.gz PQLXCVFEXWSUPU-DOTOQJQBSA-N 1 3 287.451 3.418 20 0 CGADHO CCC[NH+]1CCC(N2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001258775519 807605947 /nfs/dbraw/zinc/60/59/47/807605947.db2.gz RPGVAAVMVMKUNB-MRXNPFEDSA-N 1 3 290.426 3.489 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](CC)C[C@@H](C)CC)C[C@H]2C1 ZINC001258797125 807619336 /nfs/dbraw/zinc/61/93/36/807619336.db2.gz JMHOIPPSLWASAS-YLFCFFPRSA-N 1 3 266.473 3.475 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH+]1CCN(c2ccncc2)CC1 ZINC001258843405 807653304 /nfs/dbraw/zinc/65/33/04/807653304.db2.gz BVIRCTOIFDAKOC-SFHVURJKSA-N 1 3 295.430 3.225 20 0 CGADHO C[C@H]1CC[C@H](N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170157686 807780416 /nfs/dbraw/zinc/78/04/16/807780416.db2.gz LLFIYLXTKHRECX-GJZGRUSLSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@H]1CC[C@@H](N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170157688 807780499 /nfs/dbraw/zinc/78/04/99/807780499.db2.gz LLFIYLXTKHRECX-LSDHHAIUSA-N 1 3 250.430 3.125 20 0 CGADHO COc1cc(CN2CCC(C(C)(C)C[NH3+])CC2)ccc1F ZINC001262488026 807868308 /nfs/dbraw/zinc/86/83/08/807868308.db2.gz NMTIZGPKVOKTOT-UHFFFAOYSA-N 1 3 294.414 3.031 20 0 CGADHO C[NH+]1C(C)(C)CC(NC[C@@H](O)C2CCCCC2)CC1(C)C ZINC001171623569 808106352 /nfs/dbraw/zinc/10/63/52/808106352.db2.gz CLIXXSIUBNIDEU-MRXNPFEDSA-N 1 3 296.499 3.169 20 0 CGADHO CN1C(C)(C)CC([NH2+]C[C@@H](O)C2CCCCC2)CC1(C)C ZINC001171623569 808106358 /nfs/dbraw/zinc/10/63/58/808106358.db2.gz CLIXXSIUBNIDEU-MRXNPFEDSA-N 1 3 296.499 3.169 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+](CCCN)C(C)C)cc1 ZINC001171657283 808112206 /nfs/dbraw/zinc/11/22/06/808112206.db2.gz DGTDSFSXIBVLCJ-MRXNPFEDSA-N 1 3 262.441 3.375 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+](CCCN)C(C)C)cc1 ZINC001171657283 808112212 /nfs/dbraw/zinc/11/22/12/808112212.db2.gz DGTDSFSXIBVLCJ-MRXNPFEDSA-N 1 3 262.441 3.375 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171774775 808135691 /nfs/dbraw/zinc/13/56/91/808135691.db2.gz DRIMTUKGTXNBDP-HOCLYGCPSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1Cc2cccc(F)c2C1 ZINC001171774775 808135695 /nfs/dbraw/zinc/13/56/95/808135695.db2.gz DRIMTUKGTXNBDP-HOCLYGCPSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCN[C@H]1Cc2cccc(F)c2C1 ZINC001171774775 808135700 /nfs/dbraw/zinc/13/57/00/808135700.db2.gz DRIMTUKGTXNBDP-HOCLYGCPSA-N 1 3 290.426 3.147 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100623 808172150 /nfs/dbraw/zinc/17/21/50/808172150.db2.gz QQUPRUGPXLXQGQ-OSYLJGHBSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100623 808172153 /nfs/dbraw/zinc/17/21/53/808172153.db2.gz QQUPRUGPXLXQGQ-OSYLJGHBSA-N 1 3 258.409 3.100 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccncc1)C1CC1)C2 ZINC001172110789 808179238 /nfs/dbraw/zinc/17/92/38/808179238.db2.gz PECRUPUIWWTKII-ZJPYXAASSA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1ccncc1)C1CC1)C2 ZINC001172110789 808179242 /nfs/dbraw/zinc/17/92/42/808179242.db2.gz PECRUPUIWWTKII-ZJPYXAASSA-N 1 3 285.435 3.138 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3ccncc31)C2 ZINC001172113560 808179901 /nfs/dbraw/zinc/17/99/01/808179901.db2.gz KHPJTYTXYMHUNO-XLMAVXFVSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3ccncc31)C2 ZINC001172113560 808179905 /nfs/dbraw/zinc/17/99/05/808179905.db2.gz KHPJTYTXYMHUNO-XLMAVXFVSA-N 1 3 285.435 3.064 20 0 CGADHO Cc1cncc([C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114029 808181374 /nfs/dbraw/zinc/18/13/74/808181374.db2.gz ODCDCOLNEWIIJV-OKYOBFRVSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cncc([C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114029 808181376 /nfs/dbraw/zinc/18/13/76/808181376.db2.gz ODCDCOLNEWIIJV-OKYOBFRVSA-N 1 3 299.462 3.446 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001172124541 808185325 /nfs/dbraw/zinc/18/53/25/808185325.db2.gz LIPACQGNIPJGJB-UHDSXZAQSA-N 1 3 262.441 3.266 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001172124541 808185330 /nfs/dbraw/zinc/18/53/30/808185330.db2.gz LIPACQGNIPJGJB-UHDSXZAQSA-N 1 3 262.441 3.266 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC001172125941 808186864 /nfs/dbraw/zinc/18/68/64/808186864.db2.gz SCCSUHBZIOLTTP-QDMKHBRRSA-N 1 3 264.438 3.195 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)Cc1ccsc1)C2 ZINC001172125941 808186865 /nfs/dbraw/zinc/18/68/65/808186865.db2.gz SCCSUHBZIOLTTP-QDMKHBRRSA-N 1 3 264.438 3.195 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CCC(N3CCCC3)CC2)C[C@@H]1C ZINC001172369282 808264193 /nfs/dbraw/zinc/26/41/93/808264193.db2.gz ZOFHRYSWNWKFJW-VYDXJSESSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C[C@@H]1C ZINC001172369282 808264198 /nfs/dbraw/zinc/26/41/98/808264198.db2.gz ZOFHRYSWNWKFJW-VYDXJSESSA-N 1 3 264.457 3.371 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccc(F)cc1)C2 ZINC001274879366 808890410 /nfs/dbraw/zinc/89/04/10/808890410.db2.gz KQHBDNHZTRTUOY-SFHVURJKSA-N 1 3 290.426 3.176 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCc1ccc(F)cc1)C2 ZINC001274879366 808890418 /nfs/dbraw/zinc/89/04/18/808890418.db2.gz KQHBDNHZTRTUOY-SFHVURJKSA-N 1 3 290.426 3.176 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198733 808921377 /nfs/dbraw/zinc/92/13/77/808921377.db2.gz CSPBZYMYGLUCGI-LJQANCHMSA-N 1 3 284.447 3.093 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001275198733 808921381 /nfs/dbraw/zinc/92/13/81/808921381.db2.gz CSPBZYMYGLUCGI-LJQANCHMSA-N 1 3 284.447 3.093 20 0 CGADHO c1coc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001275235504 808922027 /nfs/dbraw/zinc/92/20/27/808922027.db2.gz AVSZPUQEXMYKBB-UHFFFAOYSA-N 1 3 274.408 3.120 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccccc3C)(C1)CCC2 ZINC001275278327 808925140 /nfs/dbraw/zinc/92/51/40/808925140.db2.gz HWDXABMYUYKENN-DLBZAZTESA-N 1 3 258.409 3.149 20 0 CGADHO Cc1cccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)n1 ZINC001275878745 808974046 /nfs/dbraw/zinc/97/40/46/808974046.db2.gz IPLRLVIZGIIYOT-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276031388 808984321 /nfs/dbraw/zinc/98/43/21/808984321.db2.gz IOLUBEUFXXSAIW-RYRKJORJSA-N 1 3 276.468 3.373 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276031388 808984322 /nfs/dbraw/zinc/98/43/22/808984322.db2.gz IOLUBEUFXXSAIW-RYRKJORJSA-N 1 3 276.468 3.373 20 0 CGADHO Cc1ccc(F)c(CN2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276244512 808995399 /nfs/dbraw/zinc/99/53/99/808995399.db2.gz XJFOKKINBLCCIL-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(F)c(CN2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001276244512 808995401 /nfs/dbraw/zinc/99/54/01/808995401.db2.gz XJFOKKINBLCCIL-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO CCCc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1 ZINC001179818416 809949087 /nfs/dbraw/zinc/94/90/87/809949087.db2.gz YGNAUVBZYYUCBQ-KZNAEPCWSA-N 1 3 272.436 3.069 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001182910833 810130630 /nfs/dbraw/zinc/13/06/30/810130630.db2.gz QYEBDUFRAVXALM-IRXDYDNUSA-N 1 3 286.463 3.113 20 0 CGADHO CCN(CC)CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC001193437567 810888676 /nfs/dbraw/zinc/88/86/76/810888676.db2.gz FUTAIIMIKNPBFM-UHFFFAOYSA-N 1 3 254.462 3.476 20 0 CGADHO CCC(CC)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC001201534614 811887928 /nfs/dbraw/zinc/88/79/28/811887928.db2.gz KPZGJXWWRDSCDX-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CCCC[C@@H](CC)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001201568381 811908324 /nfs/dbraw/zinc/90/83/24/811908324.db2.gz RUEBSWLLQNQATC-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2ccc(F)cc2)CCCC1 ZINC001201928562 811976781 /nfs/dbraw/zinc/97/67/81/811976781.db2.gz DLWSCWUPHNZFAH-UHFFFAOYSA-N 1 3 264.388 3.037 20 0 CGADHO c1ccc(C[N@H+]2C[C@@H]3CCN(CC4CCC4)C[C@H]3C2)cc1 ZINC001202775243 812170651 /nfs/dbraw/zinc/17/06/51/812170651.db2.gz AURLBNKVPZCGNG-OALUTQOASA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2C[C@@H]3CCN(CC4CCC4)C[C@H]3C2)cc1 ZINC001202775243 812170654 /nfs/dbraw/zinc/17/06/54/812170654.db2.gz AURLBNKVPZCGNG-OALUTQOASA-N 1 3 284.447 3.240 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001204002524 812516389 /nfs/dbraw/zinc/51/63/89/812516389.db2.gz SVKRWAVTNYTERT-KDURUIRLSA-N 1 3 280.415 3.223 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001204002524 812516391 /nfs/dbraw/zinc/51/63/91/812516391.db2.gz SVKRWAVTNYTERT-KDURUIRLSA-N 1 3 280.415 3.223 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001204110633 812550328 /nfs/dbraw/zinc/55/03/28/812550328.db2.gz GEXBUUBWJWNVOM-SOUVJXGZSA-N 1 3 272.502 3.371 20 0 CGADHO Cc1cccc(CN2CCN(c3cc[nH+]cc3C)CC2)c1C ZINC001205103326 812867792 /nfs/dbraw/zinc/86/77/92/812867792.db2.gz ABJJUXZGNJDSRZ-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205110264 812871258 /nfs/dbraw/zinc/87/12/58/812871258.db2.gz QJHARRSDKLYRPT-QGZVFWFLSA-N 1 3 281.403 3.062 20 0 CGADHO CCCCc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205116750 812873450 /nfs/dbraw/zinc/87/34/50/812873450.db2.gz HSPFGAROABHTLL-QGZVFWFLSA-N 1 3 260.425 3.342 20 0 CGADHO COc1ccc2sc(CN3CCC[C@@H]([NH3+])CC3)cc2c1 ZINC001205124268 812877161 /nfs/dbraw/zinc/87/71/61/812877161.db2.gz MTWHSDVFVHWVCM-CYBMUJFWSA-N 1 3 290.432 3.223 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2ccc3occc3c2)CC1 ZINC001205272991 812924439 /nfs/dbraw/zinc/92/44/39/812924439.db2.gz BVRVLEDEQGURTJ-MRXNPFEDSA-N 1 3 258.365 3.136 20 0 CGADHO C[C@H]1CCN(Cc2ccc(-c3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC001205303359 812940914 /nfs/dbraw/zinc/94/09/14/812940914.db2.gz CVIHFSQDKONFNA-KXBFYZLASA-N 1 3 295.430 3.165 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001205391162 812976592 /nfs/dbraw/zinc/97/65/92/812976592.db2.gz JYPQERMZHISMRX-CVEARBPZSA-N 1 3 284.488 3.292 20 0 CGADHO CCCc1ccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)s1 ZINC001205903767 813126627 /nfs/dbraw/zinc/12/66/27/813126627.db2.gz QZIMNULYHNDRFT-QWHCGFSZSA-N 1 3 266.454 3.260 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCC[C@H](N)C2)c2ccccc12 ZINC001205930788 813137947 /nfs/dbraw/zinc/13/79/47/813137947.db2.gz DJHSONSOHVLFPW-INIZCTEOSA-N 1 3 268.404 3.461 20 0 CGADHO Cc1ccc(C[N@H+]2CCCC[C@H](N)C2)c2ccccc12 ZINC001205930788 813137949 /nfs/dbraw/zinc/13/79/49/813137949.db2.gz DJHSONSOHVLFPW-INIZCTEOSA-N 1 3 268.404 3.461 20 0 CGADHO N[C@@H]1CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940031 813142968 /nfs/dbraw/zinc/14/29/68/813142968.db2.gz YZFKTMWONSYGBD-MRXNPFEDSA-N 1 3 254.377 3.105 20 0 CGADHO N[C@@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940031 813142973 /nfs/dbraw/zinc/14/29/73/813142973.db2.gz YZFKTMWONSYGBD-MRXNPFEDSA-N 1 3 254.377 3.105 20 0 CGADHO CCCCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206156695 813217307 /nfs/dbraw/zinc/21/73/07/813217307.db2.gz SCEBKBHKCQQZJP-SJORKVTESA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206156695 813217313 /nfs/dbraw/zinc/21/73/13/813217313.db2.gz SCEBKBHKCQQZJP-SJORKVTESA-N 1 3 294.414 3.127 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206183084 813230115 /nfs/dbraw/zinc/23/01/15/813230115.db2.gz FLOWDJGUAOYGPO-IAGOWNOFSA-N 1 3 278.415 3.146 20 0 CGADHO [NH3+][C@H]1CCN(Cc2ccccc2-c2ccncc2)CC[C@@H]1F ZINC001206198618 813235853 /nfs/dbraw/zinc/23/58/53/813235853.db2.gz MZNTYRKEGATVJX-ROUUACIJSA-N 1 3 299.393 3.010 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC001206311552 813284436 /nfs/dbraw/zinc/28/44/36/813284436.db2.gz QNKZURMTARQYMV-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC001206549438 813347692 /nfs/dbraw/zinc/34/76/92/813347692.db2.gz MYJXUMMKMSQWOR-SFHVURJKSA-N 1 3 298.434 3.028 20 0 CGADHO CCOc1cc(CN2CCCC[C@](C)(C[NH3+])C2)ccc1C ZINC001206573144 813359917 /nfs/dbraw/zinc/35/99/17/813359917.db2.gz IPALATODZAQLFQ-GOSISDBHSA-N 1 3 290.451 3.345 20 0 CGADHO Cc1c(F)cccc1CN(C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582929 813362486 /nfs/dbraw/zinc/36/24/86/813362486.db2.gz QFYCESZHZBPGHY-MRXNPFEDSA-N 1 3 278.415 3.487 20 0 CGADHO Cc1cc(CN2CCCC[C@H](C[NH3+])C2)cc(C)c1F ZINC001206632837 813380373 /nfs/dbraw/zinc/38/03/73/813380373.db2.gz OUVPUQBYJKZKLM-CQSZACIVSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206761322 813425497 /nfs/dbraw/zinc/42/54/97/813425497.db2.gz WWLOZTGXIVBBQY-OWCLPIDISA-N 1 3 284.488 3.013 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206761322 813425504 /nfs/dbraw/zinc/42/55/04/813425504.db2.gz WWLOZTGXIVBBQY-OWCLPIDISA-N 1 3 284.488 3.013 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC001206771031 813432180 /nfs/dbraw/zinc/43/21/80/813432180.db2.gz VTARVSHIAUQQDK-OLZOCXBDSA-N 1 3 274.433 3.461 20 0 CGADHO CN1CC2(C1)CC[NH+](CCCCc1ccccc1)CC2 ZINC001207616964 813617324 /nfs/dbraw/zinc/61/73/24/813617324.db2.gz OSAPHFYSIXYDNP-UHFFFAOYSA-N 1 3 272.436 3.037 20 0 CGADHO CN(C)C1CC[NH+](CCCCOCc2ccccc2)CC1 ZINC001209256173 813984625 /nfs/dbraw/zinc/98/46/25/813984625.db2.gz GNNAELIVHPYYKO-UHFFFAOYSA-N 1 3 290.451 3.009 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2cc(F)ccc12 ZINC001209695193 814114490 /nfs/dbraw/zinc/11/44/90/814114490.db2.gz DZYJDYQOGSXSES-UHFFFAOYSA-N 1 3 291.414 3.471 20 0 CGADHO CN(C)Cc1ccnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001242690828 823101590 /nfs/dbraw/zinc/10/15/90/823101590.db2.gz JEVMIBDXZDVWHM-QGZVFWFLSA-N 1 3 285.435 3.175 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCN[C@H](C)CC2)cc1 ZINC001210474994 814478793 /nfs/dbraw/zinc/47/87/93/814478793.db2.gz JZDWCFLWYJWFFH-OAHLLOKOSA-N 1 3 260.425 3.036 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCN[C@H](C)CC2)cc1 ZINC001210474994 814478797 /nfs/dbraw/zinc/47/87/97/814478797.db2.gz JZDWCFLWYJWFFH-OAHLLOKOSA-N 1 3 260.425 3.036 20 0 CGADHO CN(C)Cc1c(O[C@@H]2CCC[NH2+]CC2)ccc2ccccc21 ZINC001217996258 816041868 /nfs/dbraw/zinc/04/18/68/816041868.db2.gz YUUZXJPUYKFNPO-MRXNPFEDSA-N 1 3 298.430 3.422 20 0 CGADHO CC(C)P(CCNC(=O)C[C@@H]([NH3+])C(C)(C)C)C(C)C ZINC001221254650 816308169 /nfs/dbraw/zinc/30/81/69/816308169.db2.gz RTMZEBNLQWIPCR-CYBMUJFWSA-N 1 3 288.416 3.165 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@@]3(CCCNC3)C2)CC1 ZINC001222258935 816389733 /nfs/dbraw/zinc/38/97/33/816389733.db2.gz JDHAMLMTKYETIO-RCCFBDPRSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]3(CCCNC3)C2)CC1 ZINC001222258935 816389739 /nfs/dbraw/zinc/38/97/39/816389739.db2.gz JDHAMLMTKYETIO-RCCFBDPRSA-N 1 3 276.468 3.444 20 0 CGADHO Cc1c(C)c(CN2CCC(F)(C[NH3+])CC2)ccc1Cl ZINC001222552624 816466938 /nfs/dbraw/zinc/46/69/38/816466938.db2.gz GXMAVPHAZXYBJX-UHFFFAOYSA-N 1 3 284.806 3.220 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3ccccc3C(C)C)C[C@H]2C1 ZINC001231878315 818197137 /nfs/dbraw/zinc/19/71/37/818197137.db2.gz IAQISKMDBPDGDW-IAGOWNOFSA-N 1 3 272.436 3.194 20 0 CGADHO CSC1CCN(Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232146317 818263253 /nfs/dbraw/zinc/26/32/53/818263253.db2.gz MJYYQJGEIKNRBV-UHFFFAOYSA-N 1 3 296.455 3.215 20 0 CGADHO CC(C)=CCC[C@@H](C)CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007354 818977899 /nfs/dbraw/zinc/97/78/99/818977899.db2.gz MLMJQOZKQFCSOT-MSOLQXFVSA-N 1 3 294.483 3.071 20 0 CGADHO CC(C)=CCC[C@H](C)CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235007357 818978237 /nfs/dbraw/zinc/97/82/37/818978237.db2.gz MLMJQOZKQFCSOT-ZWKOTPCHSA-N 1 3 294.483 3.071 20 0 CGADHO CC(C)=CCC[C@H](C)CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235007356 818979424 /nfs/dbraw/zinc/97/94/24/818979424.db2.gz MLMJQOZKQFCSOT-ROUUACIJSA-N 1 3 294.483 3.071 20 0 CGADHO Cc1cccc(C[N@@H+]2CCCC23CCNCC3)c1C ZINC001235139959 819015015 /nfs/dbraw/zinc/01/50/15/819015015.db2.gz FNKICVGKHOHYNT-UHFFFAOYSA-N 1 3 258.409 3.021 20 0 CGADHO Cc1cccc(C[N@H+]2CCCC23CCNCC3)c1C ZINC001235139959 819015018 /nfs/dbraw/zinc/01/50/18/819015018.db2.gz FNKICVGKHOHYNT-UHFFFAOYSA-N 1 3 258.409 3.021 20 0 CGADHO c1ccc(-c2ccccc2CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235184828 819027323 /nfs/dbraw/zinc/02/73/23/819027323.db2.gz OYAPKNGCULTRSU-MJGOQNOKSA-N 1 3 292.426 3.395 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1C ZINC001235266899 819058319 /nfs/dbraw/zinc/05/83/19/819058319.db2.gz HGWYXXVLYOWYLK-PKOBYXMFSA-N 1 3 286.463 3.413 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1C ZINC001235266893 819058388 /nfs/dbraw/zinc/05/83/88/819058388.db2.gz HGWYXXVLYOWYLK-HKUYNNGSSA-N 1 3 286.463 3.413 20 0 CGADHO Cc1cc(Cl)c(CN2CC[C@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235342110 819072445 /nfs/dbraw/zinc/07/24/45/819072445.db2.gz SSDAYRURPFJOQP-NSHDSACASA-N 1 3 299.245 3.343 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363587 819080142 /nfs/dbraw/zinc/08/01/42/819080142.db2.gz SEZQWETUKDPHCI-MJGOQNOKSA-N 1 3 286.463 3.286 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363587 819080150 /nfs/dbraw/zinc/08/01/50/819080150.db2.gz SEZQWETUKDPHCI-MJGOQNOKSA-N 1 3 286.463 3.286 20 0 CGADHO Cc1c(CN(C)CCC[NH3+])cccc1-c1ccccc1 ZINC001235435522 819098720 /nfs/dbraw/zinc/09/87/20/819098720.db2.gz NDGMCDGQKALCJQ-UHFFFAOYSA-N 1 3 268.404 3.443 20 0 CGADHO Cc1c2ccccc2sc1CN1CCC[C@H](C[NH3+])C1 ZINC001235675420 819135369 /nfs/dbraw/zinc/13/53/69/819135369.db2.gz XTLVGKKNKIFVPE-CYBMUJFWSA-N 1 3 274.433 3.380 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc(C)ccc2Cl)CC1 ZINC001235680786 819140504 /nfs/dbraw/zinc/14/05/04/819140504.db2.gz XLHKTNLNNLWPCT-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO C[N@H+](CC[C@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC001235689129 819142249 /nfs/dbraw/zinc/14/22/49/819142249.db2.gz AKRWGSIDBBCXTO-AWDGRILASA-N 1 3 276.468 3.419 20 0 CGADHO C[N@@H+](CC[C@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC001235689129 819142253 /nfs/dbraw/zinc/14/22/53/819142253.db2.gz AKRWGSIDBBCXTO-AWDGRILASA-N 1 3 276.468 3.419 20 0 CGADHO C[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950612 819241644 /nfs/dbraw/zinc/24/16/44/819241644.db2.gz INZBXURJYBTOPS-UNEWFSDZSA-N 1 3 292.854 3.375 20 0 CGADHO C[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950612 819241651 /nfs/dbraw/zinc/24/16/51/819241651.db2.gz INZBXURJYBTOPS-UNEWFSDZSA-N 1 3 292.854 3.375 20 0 CGADHO CN(C[C@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950612 819241654 /nfs/dbraw/zinc/24/16/54/819241654.db2.gz INZBXURJYBTOPS-UNEWFSDZSA-N 1 3 292.854 3.375 20 0 CGADHO N[C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981908 819257874 /nfs/dbraw/zinc/25/78/74/819257874.db2.gz SOVYZAMXIPDGGT-OALUTQOASA-N 1 3 278.399 3.277 20 0 CGADHO N[C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981908 819257882 /nfs/dbraw/zinc/25/78/82/819257882.db2.gz SOVYZAMXIPDGGT-OALUTQOASA-N 1 3 278.399 3.277 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059330 819291868 /nfs/dbraw/zinc/29/18/68/819291868.db2.gz FFCVJIJONUXVRH-IKGGRYGDSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059330 819291875 /nfs/dbraw/zinc/29/18/75/819291875.db2.gz FFCVJIJONUXVRH-IKGGRYGDSA-N 1 3 264.457 3.443 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@@H]1N ZINC001236217385 819382523 /nfs/dbraw/zinc/38/25/23/819382523.db2.gz OSVZZEDBUGALGT-HKUYNNGSSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@@H]1N ZINC001236217385 819382524 /nfs/dbraw/zinc/38/25/24/819382524.db2.gz OSVZZEDBUGALGT-HKUYNNGSSA-N 1 3 295.430 3.450 20 0 CGADHO COc1ccc(-c2cccc3c2CC[NH2+]C3)cc1CN(C)C ZINC001236355817 819432509 /nfs/dbraw/zinc/43/25/09/819432509.db2.gz UPQXYSBGGSCULG-UHFFFAOYSA-N 1 3 296.414 3.070 20 0 CGADHO CCN(Cc1ccc2ccn(CC)c2c1)C[C@@H]1CC[NH2+]C1 ZINC001236408895 819456753 /nfs/dbraw/zinc/45/67/53/819456753.db2.gz QDBZFOORGWUEIU-MRXNPFEDSA-N 1 3 285.435 3.093 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415425 819461422 /nfs/dbraw/zinc/46/14/22/819461422.db2.gz OCYUHBMZGFCIQC-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415425 819461425 /nfs/dbraw/zinc/46/14/25/819461425.db2.gz OCYUHBMZGFCIQC-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO CCOCC[N@H+](CCCC1CCCC1)C1CCNCC1 ZINC001236461490 819486738 /nfs/dbraw/zinc/48/67/38/819486738.db2.gz XZMBCWHGGZQYML-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CCOCC[N@@H+](CCCC1CCCC1)C1CCNCC1 ZINC001236461490 819486740 /nfs/dbraw/zinc/48/67/40/819486740.db2.gz XZMBCWHGGZQYML-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CCOCCN(CCCC1CCCC1)C1CC[NH2+]CC1 ZINC001236461490 819486744 /nfs/dbraw/zinc/48/67/44/819486744.db2.gz XZMBCWHGGZQYML-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CCCN(Cc1ccc(SC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236836944 819616888 /nfs/dbraw/zinc/61/68/88/819616888.db2.gz ZMPSYEALCPRXMM-HNNXBMFYSA-N 1 3 278.465 3.230 20 0 CGADHO Cc1ccc(Cl)c(CN2CCC3(C[NH+](C)C3)CC2)c1 ZINC001238568514 820048693 /nfs/dbraw/zinc/04/86/93/820048693.db2.gz HRLYVABQXYDKSL-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO COc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1CN(C)C ZINC001240457640 821070105 /nfs/dbraw/zinc/07/01/05/821070105.db2.gz ZQKGKLQUMGYBIB-UHFFFAOYSA-N 1 3 296.414 3.070 20 0 CGADHO CN1CCCC[C@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874854 821383573 /nfs/dbraw/zinc/38/35/73/821383573.db2.gz BWAHDEPXMQZGLH-KRWDZBQOSA-N 1 3 271.408 3.005 20 0 CGADHO CC[NH+](CC)Cc1cc(OC)ccc1C1=CCCN(C)C1 ZINC001241572404 821958529 /nfs/dbraw/zinc/95/85/29/821958529.db2.gz ZSNLJGKZMOHZNG-UHFFFAOYSA-N 1 3 288.435 3.256 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC001335441775 936145889 /nfs/dbraw/zinc/14/58/89/936145889.db2.gz TTXDSDFPEJYGFJ-GFCCVEGCSA-N 1 3 266.351 3.039 20 0 CGADHO CC(C)[NH+](CCCNCCc1ccc(F)cc1)C(C)C ZINC001341961504 936455342 /nfs/dbraw/zinc/45/53/42/936455342.db2.gz AHZGTGZYDCQUQK-UHFFFAOYSA-N 1 3 280.431 3.467 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001343741195 936512283 /nfs/dbraw/zinc/51/22/83/936512283.db2.gz AHNHSXFGLVQQKD-GOSISDBHSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001343741195 936512286 /nfs/dbraw/zinc/51/22/86/936512286.db2.gz AHNHSXFGLVQQKD-GOSISDBHSA-N 1 3 281.403 3.075 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001351987576 937030737 /nfs/dbraw/zinc/03/07/37/937030737.db2.gz OEFZOWGDOAGNNS-OAHLLOKOSA-N 1 3 296.405 3.217 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001351282274 926822512 /nfs/dbraw/zinc/82/25/12/926822512.db2.gz BYAZBMAYABEPDS-WCVJEAGWSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](N[C@@H](C)c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000037771960 928691769 /nfs/dbraw/zinc/69/17/69/928691769.db2.gz YUFKSVAMRIHESE-NEPJUHHUSA-N 1 3 282.378 3.346 20 0 CGADHO C[C@H](c1ccccc1)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001460563642 937535581 /nfs/dbraw/zinc/53/55/81/937535581.db2.gz XZAIKEXSDUDOCK-PVAVHDDUSA-N 1 3 258.409 3.021 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCCF)CC1 ZINC001460628549 937537689 /nfs/dbraw/zinc/53/76/89/937537689.db2.gz WIYHRGFHKDPUQQ-INIZCTEOSA-N 1 3 270.436 3.323 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCCF)CC1 ZINC001460628549 937537692 /nfs/dbraw/zinc/53/76/92/937537692.db2.gz WIYHRGFHKDPUQQ-INIZCTEOSA-N 1 3 270.436 3.323 20 0 CGADHO CC1CC[NH+](CC[C@@H]2CCCN2CCCCF)CC1 ZINC001460628549 937537694 /nfs/dbraw/zinc/53/76/94/937537694.db2.gz WIYHRGFHKDPUQQ-INIZCTEOSA-N 1 3 270.436 3.323 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001461069380 937562224 /nfs/dbraw/zinc/56/22/24/937562224.db2.gz WOZLUBRFOWYUGC-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO NC[C@H]1CCCC[N@H+](CCCCc2ccccc2)C1 ZINC000382517927 932739801 /nfs/dbraw/zinc/73/98/01/932739801.db2.gz VEJMJYUKNALBPV-QGZVFWFLSA-N 1 3 260.425 3.070 20 0 CGADHO NC[C@H]1CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC000382517927 932739808 /nfs/dbraw/zinc/73/98/08/932739808.db2.gz VEJMJYUKNALBPV-QGZVFWFLSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@@H]([NH2+]CC1CC(C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001334765989 932770723 /nfs/dbraw/zinc/77/07/23/932770723.db2.gz FJGVIUDGLWBRAO-GYTBAZASSA-N 1 3 264.457 3.275 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC001307476741 932958414 /nfs/dbraw/zinc/95/84/14/932958414.db2.gz HEOWTOQNPWPTHX-MRXNPFEDSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC001307476741 932958419 /nfs/dbraw/zinc/95/84/19/932958419.db2.gz HEOWTOQNPWPTHX-MRXNPFEDSA-N 1 3 254.462 3.476 20 0 CGADHO Cc1ccc(C)c(CN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001307978080 933029540 /nfs/dbraw/zinc/02/95/40/933029540.db2.gz INBCSMVAXGMUHY-QZTJIDSGSA-N 1 3 272.436 3.077 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(OC)cc1C ZINC001308745275 933168913 /nfs/dbraw/zinc/16/89/13/933168913.db2.gz UCMIYBBRUQBWIA-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(OC)cc1C ZINC001308745275 933168915 /nfs/dbraw/zinc/16/89/15/933168915.db2.gz UCMIYBBRUQBWIA-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC001308882545 933196097 /nfs/dbraw/zinc/19/60/97/933196097.db2.gz JAFWYXCAZMZUCD-ZIAGYGMSSA-N 1 3 280.481 3.269 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]CCc1ccc(F)cc1 ZINC001320752886 934096888 /nfs/dbraw/zinc/09/68/88/934096888.db2.gz FJXAGMLYBJFTCO-HNNXBMFYSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCNCCc1ccc(F)cc1 ZINC001320752886 934096901 /nfs/dbraw/zinc/09/69/01/934096901.db2.gz FJXAGMLYBJFTCO-HNNXBMFYSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCNCCc1ccc(F)cc1 ZINC001320752886 934096912 /nfs/dbraw/zinc/09/69/12/934096912.db2.gz FJXAGMLYBJFTCO-HNNXBMFYSA-N 1 3 278.415 3.222 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1 ZINC001474757097 934177411 /nfs/dbraw/zinc/17/74/11/934177411.db2.gz QBMQJEDJDFHDSP-CEXWTWQISA-N 1 3 286.463 3.282 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001323904345 934436420 /nfs/dbraw/zinc/43/64/20/934436420.db2.gz NWHGHVQLUJWXMJ-IXDOHACOSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001323904345 934436421 /nfs/dbraw/zinc/43/64/21/934436421.db2.gz NWHGHVQLUJWXMJ-IXDOHACOSA-N 1 3 264.457 3.373 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC001324035257 934451516 /nfs/dbraw/zinc/45/15/16/934451516.db2.gz FHKLZKONCUKFOV-KSSFIOAISA-N 1 3 288.435 3.091 20 0 CGADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC001324444639 934505171 /nfs/dbraw/zinc/50/51/71/934505171.db2.gz XACGJQZPPBDSGH-SJLPKXTDSA-N 1 3 274.452 3.246 20 0 CGADHO Fc1cccc(Cl)c1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001325279726 934900187 /nfs/dbraw/zinc/90/01/87/934900187.db2.gz YXCFATRBIDARPW-OLZOCXBDSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1cccc(Cl)c1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001325279726 934900191 /nfs/dbraw/zinc/90/01/91/934900191.db2.gz YXCFATRBIDARPW-OLZOCXBDSA-N 1 3 296.817 3.238 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC001325742061 934926450 /nfs/dbraw/zinc/92/64/50/934926450.db2.gz AMASQCUMDSMPNI-NWDGAFQWSA-N 1 3 288.357 3.224 20 0 CGADHO C[C@@H]([NH2+]CCc1c(F)cccc1Cl)[C@@H]1CCCCN1 ZINC001325745422 934927689 /nfs/dbraw/zinc/92/76/89/934927689.db2.gz YSCKNHLYQZLTIN-ABAIWWIYSA-N 1 3 284.806 3.142 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](CSc1ccccc1)C(C)C ZINC001326473011 934982448 /nfs/dbraw/zinc/98/24/48/934982448.db2.gz GQHXYTMSEHMCMA-ZBFHGGJFSA-N 1 3 280.481 3.391 20 0 CGADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC001329068961 935183176 /nfs/dbraw/zinc/18/31/76/935183176.db2.gz WIHOJYANUXIIKX-SJLPKXTDSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001330327696 935286367 /nfs/dbraw/zinc/28/63/67/935286367.db2.gz KQLGZFGZMNPPIR-IBGZPJMESA-N 1 3 295.430 3.465 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001330327696 935286370 /nfs/dbraw/zinc/28/63/70/935286370.db2.gz KQLGZFGZMNPPIR-IBGZPJMESA-N 1 3 295.430 3.465 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccnc4ccccc43)C[C@@H]2C1 ZINC001335132962 936131311 /nfs/dbraw/zinc/13/13/11/936131311.db2.gz ZROUXXYFSCEJBQ-HRCADAONSA-N 1 3 295.430 3.401 20 0 CGADHO CC(C)([NH3+])CCN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC001335266336 936135621 /nfs/dbraw/zinc/13/56/21/936135621.db2.gz DYXPEAZYFWYORI-HNNXBMFYSA-N 1 3 271.408 3.262 20 0 CGADHO C[C@H]1C[N@H+](CC2CC3(CCC3)C2)CCN1c1ccncc1 ZINC001473760027 937821103 /nfs/dbraw/zinc/82/11/03/937821103.db2.gz VGPVMXPERCPBOV-HNNXBMFYSA-N 1 3 285.435 3.172 20 0 CGADHO C[C@H]1C[N@@H+](CC2CC3(CCC3)C2)CCN1c1ccncc1 ZINC001473760027 937821105 /nfs/dbraw/zinc/82/11/05/937821105.db2.gz VGPVMXPERCPBOV-HNNXBMFYSA-N 1 3 285.435 3.172 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccncc1 ZINC001515203436 938004945 /nfs/dbraw/zinc/00/49/45/938004945.db2.gz CNCUTFLMHIJKJA-INIZCTEOSA-N 1 3 281.403 3.182 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccncc1 ZINC001515203436 938004946 /nfs/dbraw/zinc/00/49/46/938004946.db2.gz CNCUTFLMHIJKJA-INIZCTEOSA-N 1 3 281.403 3.182 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H](c2ccncc2)C2CCC2)C1 ZINC001550696899 938170028 /nfs/dbraw/zinc/17/00/28/938170028.db2.gz ZKCOJTIUQONIRZ-IAGOWNOFSA-N 1 3 287.451 3.291 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@H](C(F)(F)F)C1 ZINC001553028103 938195969 /nfs/dbraw/zinc/19/59/69/938195969.db2.gz UMKYCZNVEXAMAL-OFTGVCEQSA-N 1 3 290.373 3.084 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001553026664 938195988 /nfs/dbraw/zinc/19/59/88/938195988.db2.gz WSAOEBSQGSIERE-PQAZSJQKSA-N 1 3 290.373 3.085 20 0 CGADHO c1cc(N2CCC[N@@H+](CCC3CCCC3)CC2)ccn1 ZINC001559943866 938239743 /nfs/dbraw/zinc/23/97/43/938239743.db2.gz YYCDGCXAUYGXQR-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO c1cc(N2CCC[N@H+](CCC3CCCC3)CC2)ccn1 ZINC001559943866 938239744 /nfs/dbraw/zinc/23/97/44/938239744.db2.gz YYCDGCXAUYGXQR-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCN1CCCCC1 ZINC001560251806 938249641 /nfs/dbraw/zinc/24/96/41/938249641.db2.gz BCPJRXQJQDQMGP-SJORKVTESA-N 1 3 264.457 3.444 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001561052741 938292422 /nfs/dbraw/zinc/29/24/22/938292422.db2.gz KCUQNKIDGUZASR-SOUVJXGZSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)([NH3+])CCNCc1ccc(CC(F)(F)F)cc1 ZINC001575354057 962360643 /nfs/dbraw/zinc/36/06/43/962360643.db2.gz DFIZSFYVEOJLOO-UHFFFAOYSA-N 1 3 274.330 3.008 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCc1ccc2c(c1)CCCC2 ZINC001575417229 962365737 /nfs/dbraw/zinc/36/57/37/962365737.db2.gz ARJDHJHAJCBCDA-KRWDZBQOSA-N 1 3 260.425 3.028 20 0 CGADHO CC(C)[C@H](CN)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001575423197 962371773 /nfs/dbraw/zinc/37/17/73/962371773.db2.gz QVQOLGQIDOKDSN-QGZVFWFLSA-N 1 3 292.442 3.311 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117313 962437249 /nfs/dbraw/zinc/43/72/49/962437249.db2.gz MISJQDWPFSSYRA-TUUVXOQKSA-N 1 3 294.389 3.095 20 0 CGADHO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCCNC2CC2)C1 ZINC001576435031 962461437 /nfs/dbraw/zinc/46/14/37/962461437.db2.gz OHVJGBJXUNUNNE-ZBFHGGJFSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC001576435031 962461448 /nfs/dbraw/zinc/46/14/48/962461448.db2.gz OHVJGBJXUNUNNE-ZBFHGGJFSA-N 1 3 264.457 3.277 20 0 CGADHO CCCC(CCC)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC001577352584 962522664 /nfs/dbraw/zinc/52/26/64/962522664.db2.gz ATCPUDOUPBILSW-QLFBSQMISA-N 1 3 252.446 3.321 20 0 CGADHO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC001577375383 962536045 /nfs/dbraw/zinc/53/60/45/962536045.db2.gz YFIHPLDSIVSMGP-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC001577375383 962536055 /nfs/dbraw/zinc/53/60/55/962536055.db2.gz YFIHPLDSIVSMGP-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN(Cc1ccc(OC)cc1)C[C@H]1CCCC[NH2+]C1 ZINC001577526669 962556762 /nfs/dbraw/zinc/55/67/62/962556762.db2.gz BERRMLAYELDCGA-KRWDZBQOSA-N 1 3 290.451 3.297 20 0 CGADHO COc1cccc(C2CCN(CC3(C[NH3+])CCC3)CC2)c1 ZINC001579268298 962617222 /nfs/dbraw/zinc/61/72/22/962617222.db2.gz PGRRBFCDPLGUCW-UHFFFAOYSA-N 1 3 288.435 3.004 20 0 CGADHO COc1cccc(CN(CC(C)C)CC(C)(C)C[NH3+])c1 ZINC001579273901 962622795 /nfs/dbraw/zinc/62/27/95/962622795.db2.gz IVANXUDTUKUEEZ-UHFFFAOYSA-N 1 3 278.440 3.138 20 0 CGADHO Cc1cc(C)c(CN[C@H](C[NH3+])C2CCCC2)c(C)c1 ZINC001579576504 962640494 /nfs/dbraw/zinc/64/04/94/962640494.db2.gz VHDOCZDHHQJBBJ-QGZVFWFLSA-N 1 3 260.425 3.219 20 0 CGADHO Cc1ccc([C@@H]2CC[N@H+](Cc3cc(C(C)(C)N)no3)C2)cc1 ZINC001579678103 962655632 /nfs/dbraw/zinc/65/56/32/962655632.db2.gz IBUOQJIUNJRLCL-OAHLLOKOSA-N 1 3 299.418 3.166 20 0 CGADHO Cc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(C)(C)N)no3)C2)cc1 ZINC001579678103 962655645 /nfs/dbraw/zinc/65/56/45/962655645.db2.gz IBUOQJIUNJRLCL-OAHLLOKOSA-N 1 3 299.418 3.166 20 0 CGADHO [NH3+]C1(CNC2CC(c3ccc(Cl)cc3)C2)CCC1 ZINC001580152734 962700899 /nfs/dbraw/zinc/70/08/99/962700899.db2.gz SLTNNMPCYGSTNJ-UHFFFAOYSA-N 1 3 264.800 3.057 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000096088699 185094281 /nfs/dbraw/zinc/09/42/81/185094281.db2.gz IUFMDLLUTGTYFZ-UHFFFAOYSA-N 1 3 278.827 3.258 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)cc1 ZINC000621563360 349546780 /nfs/dbraw/zinc/54/67/80/349546780.db2.gz QXZFMURMGWENLX-GOSISDBHSA-N 1 3 274.452 3.461 20 0 CGADHO C[C@]1(C[NH3+])CCN(CCCSc2ccccc2Cl)C1 ZINC000337740236 214241419 /nfs/dbraw/zinc/24/14/19/214241419.db2.gz CMOTZQNHQICZFD-OAHLLOKOSA-N 1 3 298.883 3.493 20 0 CGADHO C[C@]1(CN)CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000337740236 214241422 /nfs/dbraw/zinc/24/14/22/214241422.db2.gz CMOTZQNHQICZFD-OAHLLOKOSA-N 1 3 298.883 3.493 20 0 CGADHO C[C@]1(CN)CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000337740236 214241423 /nfs/dbraw/zinc/24/14/23/214241423.db2.gz CMOTZQNHQICZFD-OAHLLOKOSA-N 1 3 298.883 3.493 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000125388860 187182884 /nfs/dbraw/zinc/18/28/84/187182884.db2.gz JBRROXAMQNSWKK-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO CC[N@H+](CCCN[C@H](C)[C@@H]1CCOC1)C1CCCCC1 ZINC000651910494 398304524 /nfs/dbraw/zinc/30/45/24/398304524.db2.gz VXUHXWMGFLZULI-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)[C@@H]1CCOC1)C1CCCCC1 ZINC000651910494 398304525 /nfs/dbraw/zinc/30/45/25/398304525.db2.gz VXUHXWMGFLZULI-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423461700 529453210 /nfs/dbraw/zinc/45/32/10/529453210.db2.gz KDQZXZGRKBHTLU-VPOLOUISSA-N 1 3 272.845 3.220 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000423457818 529453218 /nfs/dbraw/zinc/45/32/18/529453218.db2.gz GBGOGQARRLXILQ-WMLDXEAASA-N 1 3 276.424 3.253 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)ccc1F ZINC000623344837 349783727 /nfs/dbraw/zinc/78/37/27/349783727.db2.gz FECUOBGADLBMMS-CQSZACIVSA-N 1 3 264.388 3.097 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CCC1 ZINC000449132530 529620196 /nfs/dbraw/zinc/62/01/96/529620196.db2.gz UWBQNCPROPBPSC-ZBFHGGJFSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000423383691 529670831 /nfs/dbraw/zinc/67/08/31/529670831.db2.gz KPCHPDNTYSMRQA-DZKIICNBSA-N 1 3 262.397 3.006 20 0 CGADHO CCCCN1CCCC[C@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623404254 349799864 /nfs/dbraw/zinc/79/98/64/349799864.db2.gz VPVOOZVMMSYPNB-IRXDYDNUSA-N 1 3 295.515 3.103 20 0 CGADHO C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432821 349808994 /nfs/dbraw/zinc/80/89/94/349808994.db2.gz LNALJFCAERZONG-ZFWWWQNUSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432821 349808995 /nfs/dbraw/zinc/80/89/95/349808995.db2.gz LNALJFCAERZONG-ZFWWWQNUSA-N 1 3 294.414 3.055 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423406149 529722350 /nfs/dbraw/zinc/72/23/50/529722350.db2.gz YQJRLCGPLVNZGF-SRVKXCTJSA-N 1 3 252.427 3.231 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cnccc2C(C)(C)C)CC1(C)C ZINC000623549540 349831441 /nfs/dbraw/zinc/83/14/41/349831441.db2.gz FMTXCDUHIRDHKS-HNNXBMFYSA-N 1 3 289.467 3.342 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656861 349858732 /nfs/dbraw/zinc/85/87/32/349858732.db2.gz DKJFYLWDTDWPDR-GDBMZVCRSA-N 1 3 278.415 3.078 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1Cl ZINC000623657708 349859614 /nfs/dbraw/zinc/85/96/14/349859614.db2.gz XBKZEOWHVCLFNA-HNNXBMFYSA-N 1 3 280.843 3.470 20 0 CGADHO CCc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)s1 ZINC000623655724 349856769 /nfs/dbraw/zinc/85/67/69/349856769.db2.gz CTVJCAPSYMTEKO-ZDUSSCGKSA-N 1 3 266.454 3.132 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623656374 349857906 /nfs/dbraw/zinc/85/79/06/349857906.db2.gz SULFYWDSFNNCDM-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000623656598 349857954 /nfs/dbraw/zinc/85/79/54/349857954.db2.gz YBOVSUGIOMCJSJ-VDZSZVPASA-N 1 3 258.409 3.021 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC000441368331 529930109 /nfs/dbraw/zinc/93/01/09/529930109.db2.gz JYWHZOLSSDCVAU-IBGZPJMESA-N 1 3 286.463 3.482 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000441368331 529930110 /nfs/dbraw/zinc/93/01/10/529930110.db2.gz JYWHZOLSSDCVAU-IBGZPJMESA-N 1 3 286.463 3.482 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3C)C1 ZINC000481037134 534957048 /nfs/dbraw/zinc/95/70/48/534957048.db2.gz OBSXQSPEEMBDOA-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3C)C1 ZINC000481037134 534957054 /nfs/dbraw/zinc/95/70/54/534957054.db2.gz OBSXQSPEEMBDOA-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000481037134 534957056 /nfs/dbraw/zinc/95/70/56/534957056.db2.gz OBSXQSPEEMBDOA-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091305984 534957823 /nfs/dbraw/zinc/95/78/23/534957823.db2.gz CBEMGQCTRLMUGO-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCOc2ccc(Cl)cc2)C1 ZINC000070174728 345388690 /nfs/dbraw/zinc/38/86/90/345388690.db2.gz GUOLWVWSJSHCIB-ZIAGYGMSSA-N 1 3 296.842 3.168 20 0 CGADHO CC(C)Oc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000070183471 345388967 /nfs/dbraw/zinc/38/89/67/345388967.db2.gz LOFLFFHZDUZGPI-UHFFFAOYSA-N 1 3 276.424 3.035 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000089597321 345771836 /nfs/dbraw/zinc/77/18/36/345771836.db2.gz NQVWGORUHZCVSV-RDJZCZTQSA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000089597321 345771839 /nfs/dbraw/zinc/77/18/39/345771839.db2.gz NQVWGORUHZCVSV-RDJZCZTQSA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)(C)C[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090589551 345791712 /nfs/dbraw/zinc/79/17/12/345791712.db2.gz QZQMRGMLAUUZPJ-INIZCTEOSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)(C)C[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000090589551 345791715 /nfs/dbraw/zinc/79/17/15/345791715.db2.gz QZQMRGMLAUUZPJ-INIZCTEOSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000157383167 346161433 /nfs/dbraw/zinc/16/14/33/346161433.db2.gz OEAZFAKKNUNPBW-GOEBONIOSA-N 1 3 278.415 3.077 20 0 CGADHO COC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000165876078 346185569 /nfs/dbraw/zinc/18/55/69/346185569.db2.gz GENDAWURAZGUKX-KRWDZBQOSA-N 1 3 282.472 3.044 20 0 CGADHO COC[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000165876078 346185572 /nfs/dbraw/zinc/18/55/72/346185572.db2.gz GENDAWURAZGUKX-KRWDZBQOSA-N 1 3 282.472 3.044 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@@H](C)c2cccc3ccccc32)C1 ZINC000221280786 346297258 /nfs/dbraw/zinc/29/72/58/346297258.db2.gz MHTDOIUWFDWYNU-GJZGRUSLSA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000221280786 346297261 /nfs/dbraw/zinc/29/72/61/346297261.db2.gz MHTDOIUWFDWYNU-GJZGRUSLSA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@@H]1CC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000221280786 346297264 /nfs/dbraw/zinc/29/72/64/346297264.db2.gz MHTDOIUWFDWYNU-GJZGRUSLSA-N 1 3 268.404 3.442 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000252212524 346390636 /nfs/dbraw/zinc/39/06/36/346390636.db2.gz YLOZNUQOEVGDRY-UGUYLWEFSA-N 1 3 252.446 3.131 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000339071836 346500963 /nfs/dbraw/zinc/50/09/63/346500963.db2.gz SGBBJCCPAGPJBB-XUWVNRHRSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000351863941 219229440 /nfs/dbraw/zinc/22/94/40/219229440.db2.gz VWVWURQEEPAOMI-MAUKXSAKSA-N 1 3 298.430 3.278 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120834 349978972 /nfs/dbraw/zinc/97/89/72/349978972.db2.gz HWVGLBYSWUOJBU-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120834 349978978 /nfs/dbraw/zinc/97/89/78/349978978.db2.gz HWVGLBYSWUOJBU-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120834 349978980 /nfs/dbraw/zinc/97/89/80/349978980.db2.gz HWVGLBYSWUOJBU-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccsc1 ZINC000624121374 349979166 /nfs/dbraw/zinc/97/91/66/349979166.db2.gz UVYPJTMTQROROV-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)ccc1F ZINC000624121783 349979830 /nfs/dbraw/zinc/97/98/30/349979830.db2.gz CXANLEBDAAXENN-KGLIPLIRSA-N 1 3 294.414 3.217 20 0 CGADHO Cc1cc(N(C)CCC[NH+]2CCCC2)c2ccccc2n1 ZINC000358657566 233173857 /nfs/dbraw/zinc/17/38/57/233173857.db2.gz CKBRXTRJRKHKPA-UHFFFAOYSA-N 1 3 283.419 3.465 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359732 191096208 /nfs/dbraw/zinc/09/62/08/191096208.db2.gz ZUHQDAWKPGLCFO-DOTOQJQBSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359732 191096209 /nfs/dbraw/zinc/09/62/09/191096209.db2.gz ZUHQDAWKPGLCFO-DOTOQJQBSA-N 1 3 276.399 3.099 20 0 CGADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425695 350537003 /nfs/dbraw/zinc/53/70/03/350537003.db2.gz SHAJADLNRUQLLK-RDJZCZTQSA-N 1 3 290.451 3.035 20 0 CGADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000271394612 191114806 /nfs/dbraw/zinc/11/48/06/191114806.db2.gz KKBRMVYURNPJJP-HNNXBMFYSA-N 1 3 275.440 3.161 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CN1 ZINC000629535145 350704735 /nfs/dbraw/zinc/70/47/35/350704735.db2.gz CCRGSMOSVGZANX-VWPFQQQWSA-N 1 3 258.409 3.355 20 0 CGADHO Cc1ccc(C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537349 350705833 /nfs/dbraw/zinc/70/58/33/350705833.db2.gz INGGPMSTIGSESZ-WBAXXEDZSA-N 1 3 272.436 3.046 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C[C@H]2C[C@H]2C1 ZINC000629539140 350706649 /nfs/dbraw/zinc/70/66/49/350706649.db2.gz QUHQQHBHMPQSHR-HTPGKPQGSA-N 1 3 276.468 3.323 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1CC(F)(F)F ZINC000629554952 350711849 /nfs/dbraw/zinc/71/18/49/350711849.db2.gz OYZRYHWSORRZQC-OCCSQVGLSA-N 1 3 286.341 3.008 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556468 350712762 /nfs/dbraw/zinc/71/27/62/350712762.db2.gz QCNGDPOLYXBSSL-VBNZEHGJSA-N 1 3 278.827 3.434 20 0 CGADHO Clc1ccc2c(c1)[C@H]([NH2+]C1CCNCC1)CCC2 ZINC000629556580 350713050 /nfs/dbraw/zinc/71/30/50/350713050.db2.gz TURFAXMECNJRKR-OAHLLOKOSA-N 1 3 264.800 3.059 20 0 CGADHO C[NH2+]CCOCCN(C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000629571980 350713692 /nfs/dbraw/zinc/71/36/92/350713692.db2.gz LESUMLKQFOVCLY-OAHLLOKOSA-N 1 3 278.440 3.039 20 0 CGADHO CC(C)(CCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000629566084 350714148 /nfs/dbraw/zinc/71/41/48/350714148.db2.gz YDAZZFZIXVCNTD-YPMHNXCESA-N 1 3 292.389 3.272 20 0 CGADHO Cc1ccc(-c2cccc(CN(C)CCOCC[NH3+])c2)cc1 ZINC000629664750 350733236 /nfs/dbraw/zinc/73/32/36/350733236.db2.gz QXSNCLHYFPSMGU-UHFFFAOYSA-N 1 3 298.430 3.069 20 0 CGADHO C[C@@H]1C[C@@H](CNC2(c3c(F)cccc3F)CCC2)CC[NH2+]1 ZINC000629673664 350734626 /nfs/dbraw/zinc/73/46/26/350734626.db2.gz AXCRBGTUFUAXFB-OLZOCXBDSA-N 1 3 294.389 3.322 20 0 CGADHO CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(C)ccn1 ZINC000631633566 351098734 /nfs/dbraw/zinc/09/87/34/351098734.db2.gz SUBUUVCZULKAAC-NPYXIHBLSA-N 1 3 287.451 3.446 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc3cccnc32)C1 ZINC000634733130 351577963 /nfs/dbraw/zinc/57/79/63/351577963.db2.gz XNIUEQIIZIXLDW-INIZCTEOSA-N 1 3 283.419 3.103 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(Cc2ccccc2)C=CCCC1)C1CNC1 ZINC000635021461 351633002 /nfs/dbraw/zinc/63/30/02/351633002.db2.gz OXOUWYALAZVTLG-LPHOPBHVSA-N 1 3 284.447 3.153 20 0 CGADHO C[C@H](NC[C@@]1(Cc2ccccc2)C=CCCC1)C1C[NH2+]C1 ZINC000635021461 351633004 /nfs/dbraw/zinc/63/30/04/351633004.db2.gz OXOUWYALAZVTLG-LPHOPBHVSA-N 1 3 284.447 3.153 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC[C@H]2CNc3ccccc32)c2ccccc21 ZINC000635004068 351622084 /nfs/dbraw/zinc/62/20/84/351622084.db2.gz CZXNAIVKJNDHRZ-BOFPYLFWSA-N 1 3 293.414 3.320 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@H]2CNc3ccccc32)c2ccccc21 ZINC000635004089 351622745 /nfs/dbraw/zinc/62/27/45/351622745.db2.gz CZXNAIVKJNDHRZ-IRWQIABSSA-N 1 3 293.414 3.320 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006003 351623681 /nfs/dbraw/zinc/62/36/81/351623681.db2.gz KOLNUJJSSWVZLO-WMLDXEAASA-N 1 3 288.460 3.229 20 0 CGADHO C[C@@H](Cc1ccsc1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635006003 351623683 /nfs/dbraw/zinc/62/36/83/351623683.db2.gz KOLNUJJSSWVZLO-WMLDXEAASA-N 1 3 288.460 3.229 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CCc2ccccc2C1)Cc1ccccc1 ZINC000635006846 351624408 /nfs/dbraw/zinc/62/44/08/351624408.db2.gz TXHGFUJXGIZFMB-WOJBJXKFSA-N 1 3 294.442 3.094 20 0 CGADHO FCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000635006228 351624473 /nfs/dbraw/zinc/62/44/73/351624473.db2.gz BEHWZYHBJVLXGA-RDTXWAMCSA-N 1 3 290.426 3.340 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]Cc1cccc2c1CCNC2 ZINC000635006187 351624899 /nfs/dbraw/zinc/62/48/99/351624899.db2.gz BCGLSCLPKOGBKU-LLVKDONJSA-N 1 3 286.341 3.153 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635010993 351629358 /nfs/dbraw/zinc/62/93/58/351629358.db2.gz OPSMUQQZBSSAAB-ZDUSSCGKSA-N 1 3 286.444 3.115 20 0 CGADHO COc1cccc2c1CC[C@H]2N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013368 351632065 /nfs/dbraw/zinc/63/20/65/351632065.db2.gz YBVKKWNUJLSMSI-CZUORRHYSA-N 1 3 288.435 3.050 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000339844411 215360281 /nfs/dbraw/zinc/36/02/81/215360281.db2.gz YATHDPCIBYVSLD-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000339844411 215360283 /nfs/dbraw/zinc/36/02/83/215360283.db2.gz YATHDPCIBYVSLD-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(CO)c1 ZINC000121860826 187000950 /nfs/dbraw/zinc/00/09/50/187000950.db2.gz QYHWPWUIAGONSN-PBHICJAKSA-N 1 3 292.467 3.196 20 0 CGADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000271621673 191246075 /nfs/dbraw/zinc/24/60/75/191246075.db2.gz YPNARRYBNLUBCL-CVEARBPZSA-N 1 3 275.440 3.161 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000422716583 295854939 /nfs/dbraw/zinc/85/49/39/295854939.db2.gz ULCWPQNSBPEENI-GUYCJALGSA-N 1 3 287.382 3.027 20 0 CGADHO c1ccc2c(c1)nccc2NC1CC([NH+]2CCCCC2)C1 ZINC000369555707 234383558 /nfs/dbraw/zinc/38/35/58/234383558.db2.gz FZLXBEHKOJFHKK-UHFFFAOYSA-N 1 3 281.403 3.086 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000271825680 191350724 /nfs/dbraw/zinc/35/07/24/191350724.db2.gz DBXJLBKWVZKJDF-MRXNPFEDSA-N 1 3 272.436 3.168 20 0 CGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(F)cc1 ZINC000271877947 191384525 /nfs/dbraw/zinc/38/45/25/191384525.db2.gz OPIJEKLUUHECHG-MRXNPFEDSA-N 1 3 262.372 3.128 20 0 CGADHO CCC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OC)cc1 ZINC000271863489 191375966 /nfs/dbraw/zinc/37/59/66/191375966.db2.gz KZHOSFAFJHQJCZ-SFHVURJKSA-N 1 3 288.435 3.388 20 0 CGADHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1cc(C)ccc1OC ZINC000271864734 191377833 /nfs/dbraw/zinc/37/78/33/191377833.db2.gz LECRZNNACUUHNF-KRWDZBQOSA-N 1 3 288.435 3.306 20 0 CGADHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1cc(C)ccc1OC ZINC000271864734 191377836 /nfs/dbraw/zinc/37/78/36/191377836.db2.gz LECRZNNACUUHNF-KRWDZBQOSA-N 1 3 288.435 3.306 20 0 CGADHO C[NH+](C)CCSCc1cccc(CN2CCCCC2)c1 ZINC000412998874 235238882 /nfs/dbraw/zinc/23/88/82/235238882.db2.gz KTDXCCFSZXYLDH-UHFFFAOYSA-N 1 3 292.492 3.467 20 0 CGADHO COc1ccsc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414201909 235362860 /nfs/dbraw/zinc/36/28/60/235362860.db2.gz YIYNZRZQOVEGMC-CHWSQXEVSA-N 1 3 282.453 3.139 20 0 CGADHO COc1ccsc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414201909 235362861 /nfs/dbraw/zinc/36/28/61/235362861.db2.gz YIYNZRZQOVEGMC-CHWSQXEVSA-N 1 3 282.453 3.139 20 0 CGADHO CCSCCNCc1ccccc1C[N@H+](C)C(C)C ZINC000273785869 192308422 /nfs/dbraw/zinc/30/84/22/192308422.db2.gz SZDHCOLWVXCSAD-UHFFFAOYSA-N 1 3 280.481 3.370 20 0 CGADHO CCSCCNCc1ccccc1C[N@@H+](C)C(C)C ZINC000273785869 192308424 /nfs/dbraw/zinc/30/84/24/192308424.db2.gz SZDHCOLWVXCSAD-UHFFFAOYSA-N 1 3 280.481 3.370 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488311 138345940 /nfs/dbraw/zinc/34/59/40/138345940.db2.gz CKURFCNGIZJJKF-FGTMMUONSA-N 1 3 272.436 3.395 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488783 138345983 /nfs/dbraw/zinc/34/59/83/138345983.db2.gz VVXBZOIYDDZALW-FGTMMUONSA-N 1 3 290.426 3.269 20 0 CGADHO c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488007 138346762 /nfs/dbraw/zinc/34/67/62/138346762.db2.gz ASYUAOWIWLIEGY-YESZJQIVSA-N 1 3 258.409 3.087 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccsc1 ZINC000093516042 138347310 /nfs/dbraw/zinc/34/73/10/138347310.db2.gz LERXAZMVZSSZCO-UKRRQHHQSA-N 1 3 266.454 3.191 20 0 CGADHO Cc1cc(NCC[C@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000110793600 138363596 /nfs/dbraw/zinc/36/35/96/138363596.db2.gz NNCUEELSIJEZDT-CQSZACIVSA-N 1 3 269.392 3.345 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC1CCCC1 ZINC000422808374 235925520 /nfs/dbraw/zinc/92/55/20/235925520.db2.gz QFYVVSMVYCFBBJ-ZDUSSCGKSA-N 1 3 275.440 3.470 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000423294711 236027043 /nfs/dbraw/zinc/02/70/43/236027043.db2.gz UYZGBEMQNOEUSE-STQMWFEESA-N 1 3 298.386 3.286 20 0 CGADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423297974 236030137 /nfs/dbraw/zinc/03/01/37/236030137.db2.gz MPRRYXXGRZFTGF-RYUDHWBXSA-N 1 3 289.448 3.364 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423300633 236030495 /nfs/dbraw/zinc/03/04/95/236030495.db2.gz DPHCIURAUYITGQ-QMTHXVAHSA-N 1 3 286.341 3.341 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423311862 236035056 /nfs/dbraw/zinc/03/50/56/236035056.db2.gz UMRKWTQQRDLDTP-ZIAGYGMSSA-N 1 3 287.451 3.409 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423319598 236037251 /nfs/dbraw/zinc/03/72/51/236037251.db2.gz LSLPZTMVUBHUQF-NUEKZKHPSA-N 1 3 278.827 3.303 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C2CC2)cc1 ZINC000423386598 236059061 /nfs/dbraw/zinc/05/90/61/236059061.db2.gz LZNJWDFNVMCGGU-BZSNNMDCSA-N 1 3 272.436 3.176 20 0 CGADHO C[C@]1(CN[C@H](c2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423350299 236047048 /nfs/dbraw/zinc/04/70/48/236047048.db2.gz XGJUVMQZSZJRIX-SJORKVTESA-N 1 3 258.409 3.117 20 0 CGADHO C[C@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CCCNC1 ZINC000423350299 236047051 /nfs/dbraw/zinc/04/70/51/236047051.db2.gz XGJUVMQZSZJRIX-SJORKVTESA-N 1 3 258.409 3.117 20 0 CGADHO Cc1cccc(C[C@H](NCC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423355947 236048055 /nfs/dbraw/zinc/04/80/55/236048055.db2.gz GBAHMABHMMHJQR-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1ccccc1C[C@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423361195 236050965 /nfs/dbraw/zinc/05/09/65/236050965.db2.gz RGGVDIWXKFQJCY-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423490995 236085695 /nfs/dbraw/zinc/08/56/95/236085695.db2.gz YIOPIFSHPCQHFV-AAEUAGOBSA-N 1 3 268.351 3.148 20 0 CGADHO Cc1cc(F)c(CNCCC2CC[NH+](C)CC2)c(F)c1 ZINC000424154138 236125320 /nfs/dbraw/zinc/12/53/20/236125320.db2.gz LERCRQIIQLVVFO-UHFFFAOYSA-N 1 3 282.378 3.095 20 0 CGADHO C[C@H]1CC2(CN1Cc1cc(F)cc(Cl)c1)CC[NH2+]CC2 ZINC000424378509 236158830 /nfs/dbraw/zinc/15/88/30/236158830.db2.gz NHOXXHYLQRRDHE-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Br)cc1 ZINC000424336292 236152357 /nfs/dbraw/zinc/15/23/57/236152357.db2.gz PYMUQQGGLOSFMW-ZLKJLUDKSA-N 1 3 297.240 3.370 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000449444533 299272876 /nfs/dbraw/zinc/27/28/76/299272876.db2.gz BNPXGKITCCZSGD-GRDNDAEWSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](CN(C)C[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294874999 199225752 /nfs/dbraw/zinc/22/57/52/199225752.db2.gz QJZLFLRBIRQLPB-KBPBESRZSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294874999 199225754 /nfs/dbraw/zinc/22/57/54/199225754.db2.gz QJZLFLRBIRQLPB-KBPBESRZSA-N 1 3 296.405 3.342 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178528325 189124232 /nfs/dbraw/zinc/12/42/32/189124232.db2.gz OXTXJQSKDYHPRR-UHFFFAOYSA-N 1 3 272.392 3.206 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178528325 189124233 /nfs/dbraw/zinc/12/42/33/189124233.db2.gz OXTXJQSKDYHPRR-UHFFFAOYSA-N 1 3 272.392 3.206 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423081775 296020573 /nfs/dbraw/zinc/02/05/73/296020573.db2.gz VOACRLHNUYORFK-MXWKQRLJSA-N 1 3 290.329 3.362 20 0 CGADHO C[C@H](NC[C@H]([NH3+])C1CC1)C1(c2ccccc2)CCCC1 ZINC000423321699 299313934 /nfs/dbraw/zinc/31/39/34/299313934.db2.gz NNJLWUWOXBURQC-YOEHRIQHSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@@H]1C[C@@H](NC2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348554 189250976 /nfs/dbraw/zinc/25/09/76/189250976.db2.gz IHEQJECPHUVVMH-ZBFHGGJFSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@@H]1C[C@@H](NC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348554 189250977 /nfs/dbraw/zinc/25/09/77/189250977.db2.gz IHEQJECPHUVVMH-ZBFHGGJFSA-N 1 3 258.409 3.138 20 0 CGADHO Cc1cc(Cl)cc(C)c1CNC1CC[NH+](C)CC1 ZINC000119841093 370714500 /nfs/dbraw/zinc/71/45/00/370714500.db2.gz HXJKFUIAOUWRSF-UHFFFAOYSA-N 1 3 266.816 3.141 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000275344164 193004997 /nfs/dbraw/zinc/00/49/97/193004997.db2.gz PIBOYOXPRLLNAL-GOSISDBHSA-N 1 3 272.436 3.105 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@@H](C)c1ccccc1 ZINC000414790957 299366639 /nfs/dbraw/zinc/36/66/39/299366639.db2.gz AWLUUCQYCMOIOE-YALNPMBYSA-N 1 3 260.425 3.286 20 0 CGADHO FC1(F)CCC(CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000459348030 242081881 /nfs/dbraw/zinc/08/18/81/242081881.db2.gz VWSZXMLUEWPYEQ-OAHLLOKOSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000459348030 242081886 /nfs/dbraw/zinc/08/18/86/242081886.db2.gz VWSZXMLUEWPYEQ-OAHLLOKOSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC(C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000459348030 242081891 /nfs/dbraw/zinc/08/18/91/242081891.db2.gz VWSZXMLUEWPYEQ-OAHLLOKOSA-N 1 3 286.410 3.230 20 0 CGADHO Cc1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000462802690 242364144 /nfs/dbraw/zinc/36/41/44/242364144.db2.gz MJIBBSLBDXLDTA-CVEARBPZSA-N 1 3 292.854 3.407 20 0 CGADHO Cc1cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000462802690 242364151 /nfs/dbraw/zinc/36/41/51/242364151.db2.gz MJIBBSLBDXLDTA-CVEARBPZSA-N 1 3 292.854 3.407 20 0 CGADHO CO[C@@](C)(CNC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000462820322 242367118 /nfs/dbraw/zinc/36/71/18/242367118.db2.gz XWUACJYUNKSCDL-SFHVURJKSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@](C)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000462820322 242367122 /nfs/dbraw/zinc/36/71/22/242367122.db2.gz XWUACJYUNKSCDL-SFHVURJKSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1C1CC1)CN1CCCC1 ZINC000477922301 243060940 /nfs/dbraw/zinc/06/09/40/243060940.db2.gz ZTSRSYRMSWFTOD-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCc2ccccc2C1)CN1CCCC1 ZINC000477921891 243061566 /nfs/dbraw/zinc/06/15/66/243061566.db2.gz WTBXSIGOGLZUJU-SFHVURJKSA-N 1 3 286.463 3.256 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(Br)cc1 ZINC000261563278 299388545 /nfs/dbraw/zinc/38/85/45/299388545.db2.gz WXDPHRUCIVOAMB-UHIISALHSA-N 1 3 297.240 3.098 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@@H]1CC1(C)C ZINC000486939674 243381106 /nfs/dbraw/zinc/38/11/06/243381106.db2.gz QOLZORDIHVKZQI-BBRMVZONSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H]1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000486358009 243360766 /nfs/dbraw/zinc/36/07/66/243360766.db2.gz HKLZEMCUPUEUGY-CVEARBPZSA-N 1 3 294.483 3.188 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996997 369048333 /nfs/dbraw/zinc/04/83/33/369048333.db2.gz SXXYVJRSMPFUPQ-OPQOLIRYSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996997 369048340 /nfs/dbraw/zinc/04/83/40/369048340.db2.gz SXXYVJRSMPFUPQ-OPQOLIRYSA-N 1 3 270.420 3.149 20 0 CGADHO Fc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997016 369048660 /nfs/dbraw/zinc/04/86/60/369048660.db2.gz YOQSSEMILQAWDN-JOCCRWCTSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997016 369048664 /nfs/dbraw/zinc/04/86/64/369048664.db2.gz YOQSSEMILQAWDN-JOCCRWCTSA-N 1 3 288.410 3.288 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C)cc1 ZINC000037644091 369093677 /nfs/dbraw/zinc/09/36/77/369093677.db2.gz SPXDLOAFZLMJSD-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000037644091 369093679 /nfs/dbraw/zinc/09/36/79/369093679.db2.gz SPXDLOAFZLMJSD-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644091 369093680 /nfs/dbraw/zinc/09/36/80/369093680.db2.gz SPXDLOAFZLMJSD-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c(C)o1 ZINC000037648964 369094856 /nfs/dbraw/zinc/09/48/56/369094856.db2.gz PIELYJYXQPGWCS-GXTWGEPZSA-N 1 3 262.397 3.031 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644513 369095176 /nfs/dbraw/zinc/09/51/76/369095176.db2.gz IXLCQNZLBUFULZ-QAPCUYQASA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644513 369095180 /nfs/dbraw/zinc/09/51/80/369095180.db2.gz IXLCQNZLBUFULZ-QAPCUYQASA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644513 369095186 /nfs/dbraw/zinc/09/51/86/369095186.db2.gz IXLCQNZLBUFULZ-QAPCUYQASA-N 1 3 272.436 3.378 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)CN1CCCCC1 ZINC000037997624 369136182 /nfs/dbraw/zinc/13/61/82/369136182.db2.gz MGZVZTGDCCEDEC-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@@H]1C ZINC000494905228 244329023 /nfs/dbraw/zinc/32/90/23/244329023.db2.gz BAYLZFWOMZYTEU-CPUCHLNUSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](Nc1ccnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000050164221 369430757 /nfs/dbraw/zinc/43/07/57/369430757.db2.gz UHTACCOBGMCTSQ-QWHCGFSZSA-N 1 3 255.365 3.035 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNC[C@H]1CCC=CO1 ZINC000050267591 369433058 /nfs/dbraw/zinc/43/30/58/369433058.db2.gz FXGWGWCKYUDHRF-GOSISDBHSA-N 1 3 288.435 3.311 20 0 CGADHO C[C@@H]1CN(Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000052062048 369462958 /nfs/dbraw/zinc/46/29/58/369462958.db2.gz XEKIYBROZADAQJ-DYVFJYSZSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H](C)c1ccccc1)CN1CCCC1 ZINC000057994267 369551973 /nfs/dbraw/zinc/55/19/73/369551973.db2.gz BNVGPPHYBXXDKU-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000062077747 369617866 /nfs/dbraw/zinc/61/78/66/369617866.db2.gz NOMWPSNRMKKQSB-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccc(OC)cc1 ZINC000062077747 369617870 /nfs/dbraw/zinc/61/78/70/369617870.db2.gz NOMWPSNRMKKQSB-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000062077926 369617994 /nfs/dbraw/zinc/61/79/94/369617994.db2.gz JPKMDIUTBJNLGB-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000062077926 369617996 /nfs/dbraw/zinc/61/79/96/369617996.db2.gz JPKMDIUTBJNLGB-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198148 369643329 /nfs/dbraw/zinc/64/33/29/369643329.db2.gz MNAXTIVILWEYGT-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859558 369841909 /nfs/dbraw/zinc/84/19/09/369841909.db2.gz NKGAWFQNIYFSJW-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859558 369841911 /nfs/dbraw/zinc/84/19/11/369841911.db2.gz NKGAWFQNIYFSJW-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)CN1CCCC1 ZINC000085100341 370015861 /nfs/dbraw/zinc/01/58/61/370015861.db2.gz DGLOHPLPSBYPPO-KLHDSHLOSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000088164009 370031596 /nfs/dbraw/zinc/03/15/96/370031596.db2.gz IMBYAWISIQCMLH-ALOPSCKCSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000088164009 370031598 /nfs/dbraw/zinc/03/15/98/370031598.db2.gz IMBYAWISIQCMLH-ALOPSCKCSA-N 1 3 258.409 3.100 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094423969 370168403 /nfs/dbraw/zinc/16/84/03/370168403.db2.gz XXDRVYWSTGSYIK-AWEZNQCLSA-N 1 3 282.472 3.185 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423405842 296156729 /nfs/dbraw/zinc/15/67/29/296156729.db2.gz UBSULKJBPFCEGW-KPHYFBGPSA-N 1 3 292.389 3.331 20 0 CGADHO CC(C)CCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000512815598 245052968 /nfs/dbraw/zinc/05/29/68/245052968.db2.gz MUMHVCYZORBRRU-UHFFFAOYSA-N 1 3 278.440 3.153 20 0 CGADHO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129720341 370997377 /nfs/dbraw/zinc/99/73/77/370997377.db2.gz VZJCGQFUQPMVAJ-JYYAWHABSA-N 1 3 292.492 3.486 20 0 CGADHO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129720341 370997384 /nfs/dbraw/zinc/99/73/84/370997384.db2.gz VZJCGQFUQPMVAJ-JYYAWHABSA-N 1 3 292.492 3.486 20 0 CGADHO c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134919045 371374999 /nfs/dbraw/zinc/37/49/99/371374999.db2.gz VYGRODUMUMAURC-SJLPKXTDSA-N 1 3 270.420 3.135 20 0 CGADHO c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134919045 371375003 /nfs/dbraw/zinc/37/50/03/371375003.db2.gz VYGRODUMUMAURC-SJLPKXTDSA-N 1 3 270.420 3.135 20 0 CGADHO CCCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000136941033 371488983 /nfs/dbraw/zinc/48/89/83/371488983.db2.gz BHWRFDAMECMOMY-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000136941033 371488989 /nfs/dbraw/zinc/48/89/89/371488989.db2.gz BHWRFDAMECMOMY-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccc(F)cc1F ZINC000336791197 213629032 /nfs/dbraw/zinc/62/90/32/213629032.db2.gz MUFBNXJFOUPWTP-MNOVXSKESA-N 1 3 256.340 3.133 20 0 CGADHO CC[NH+](CC)CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000149221760 371527812 /nfs/dbraw/zinc/52/78/12/371527812.db2.gz VLXQLLYCKUQNGA-INIZCTEOSA-N 1 3 280.843 3.129 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000149221760 371527813 /nfs/dbraw/zinc/52/78/13/371527813.db2.gz VLXQLLYCKUQNGA-INIZCTEOSA-N 1 3 280.843 3.129 20 0 CGADHO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000150975557 371553938 /nfs/dbraw/zinc/55/39/38/371553938.db2.gz PDISZRWGXCTFJT-ZIAGYGMSSA-N 1 3 296.480 3.029 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421802254 371637371 /nfs/dbraw/zinc/63/73/71/371637371.db2.gz NERQRJIHHOLBPB-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO CC[NH+](CC)CCCN[C@H](C)C1(OC)CCCCC1 ZINC000421802254 371637376 /nfs/dbraw/zinc/63/73/76/371637376.db2.gz NERQRJIHHOLBPB-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO COC1([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC000421832480 371656249 /nfs/dbraw/zinc/65/62/49/371656249.db2.gz MQCKPBQQPXVURG-OAHLLOKOSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152435769 371693747 /nfs/dbraw/zinc/69/37/47/371693747.db2.gz COBQJAZNNLTSEP-STQMWFEESA-N 1 3 290.476 3.372 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152435769 371693755 /nfs/dbraw/zinc/69/37/55/371693755.db2.gz COBQJAZNNLTSEP-STQMWFEESA-N 1 3 290.476 3.372 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422764636 371791680 /nfs/dbraw/zinc/79/16/80/371791680.db2.gz KCIKNJHOKVJJLI-SJORKVTESA-N 1 3 292.492 3.335 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1cc(Cl)cc(Cl)c1 ZINC000422717015 371765460 /nfs/dbraw/zinc/76/54/60/371765460.db2.gz NYGXVVWCZDTKOM-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422717015 371765463 /nfs/dbraw/zinc/76/54/63/371765463.db2.gz NYGXVVWCZDTKOM-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)C1CNC1 ZINC000422725709 371770388 /nfs/dbraw/zinc/77/03/88/371770388.db2.gz CBGFZZCBKNKVRN-MRXNPFEDSA-N 1 3 294.442 3.406 20 0 CGADHO C[C@@H](NCCC(c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422725709 371770398 /nfs/dbraw/zinc/77/03/98/371770398.db2.gz CBGFZZCBKNKVRN-MRXNPFEDSA-N 1 3 294.442 3.406 20 0 CGADHO C[C@H](NCCCCN(C)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422744227 371780422 /nfs/dbraw/zinc/78/04/22/371780422.db2.gz VRKOXJCFNUKNID-FUHWJXTLSA-N 1 3 289.467 3.023 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422751444 371784827 /nfs/dbraw/zinc/78/48/27/371784827.db2.gz CPMKICKXJZSCBS-IUODEOHRSA-N 1 3 282.428 3.025 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325674 214008689 /nfs/dbraw/zinc/00/86/89/214008689.db2.gz CBVRCNDHVGEDID-SJLPKXTDSA-N 1 3 289.467 3.428 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422756702 371786520 /nfs/dbraw/zinc/78/65/20/371786520.db2.gz HWKPFMBEHAJTNF-CZUORRHYSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC(C)(C)c1cccc(F)c1 ZINC000422756702 371786524 /nfs/dbraw/zinc/78/65/24/371786524.db2.gz HWKPFMBEHAJTNF-CZUORRHYSA-N 1 3 278.415 3.081 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000337337843 214015074 /nfs/dbraw/zinc/01/50/74/214015074.db2.gz NDYKQAARSSXVCP-UHFFFAOYSA-N 1 3 290.451 3.220 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000422836225 371832397 /nfs/dbraw/zinc/83/23/97/371832397.db2.gz JQCKIYPUGIJUBY-SWLSCSKDSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000422830335 371833251 /nfs/dbraw/zinc/83/32/51/371833251.db2.gz CSFWJTNLIHUABX-YRORDHRNSA-N 1 3 264.388 3.165 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422777698 371801542 /nfs/dbraw/zinc/80/15/42/371801542.db2.gz GDCXIWHJQOGDPU-VHSSKADRSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000422799487 371814862 /nfs/dbraw/zinc/81/48/62/371814862.db2.gz WYJQQACACJGUSQ-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422798343 371815909 /nfs/dbraw/zinc/81/59/09/371815909.db2.gz QSJZHOPAZNEQAK-UUAJXVIYSA-N 1 3 264.457 3.452 20 0 CGADHO CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422808903 371823068 /nfs/dbraw/zinc/82/30/68/371823068.db2.gz PECRSTRHFOXRDC-NWDGAFQWSA-N 1 3 281.469 3.031 20 0 CGADHO CN(Cc1cccc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289809055 371828077 /nfs/dbraw/zinc/82/80/77/371828077.db2.gz SRHCUDBGSJGNGC-XYPWUTKMSA-N 1 3 283.419 3.225 20 0 CGADHO CN(Cc1cccc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289809055 371828081 /nfs/dbraw/zinc/82/80/81/371828081.db2.gz SRHCUDBGSJGNGC-XYPWUTKMSA-N 1 3 283.419 3.225 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000422860802 371843491 /nfs/dbraw/zinc/84/34/91/371843491.db2.gz NCUGDZAINVSWBB-CXAGYDPISA-N 1 3 287.382 3.027 20 0 CGADHO C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000289895240 371848708 /nfs/dbraw/zinc/84/87/08/371848708.db2.gz WPKMAJQMHULJLX-DTWYCDNDSA-N 1 3 290.426 3.486 20 0 CGADHO C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000289895240 371848711 /nfs/dbraw/zinc/84/87/11/371848711.db2.gz WPKMAJQMHULJLX-DTWYCDNDSA-N 1 3 290.426 3.486 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2)CCCC1 ZINC000422878930 371851390 /nfs/dbraw/zinc/85/13/90/371851390.db2.gz LLAPZOAXZIODBP-HOTGVXAUSA-N 1 3 276.399 3.107 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCCOc1ccc2ccccc2c1 ZINC000422884916 371854002 /nfs/dbraw/zinc/85/40/02/371854002.db2.gz FXXQKDLQPSGOPJ-CABCVRRESA-N 1 3 286.419 3.324 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422884916 371854006 /nfs/dbraw/zinc/85/40/06/371854006.db2.gz FXXQKDLQPSGOPJ-CABCVRRESA-N 1 3 286.419 3.324 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422901105 371860669 /nfs/dbraw/zinc/86/06/69/371860669.db2.gz BNJUECZHFDHKAA-HIFRSBDPSA-N 1 3 276.449 3.028 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422901105 371860678 /nfs/dbraw/zinc/86/06/78/371860678.db2.gz BNJUECZHFDHKAA-HIFRSBDPSA-N 1 3 276.449 3.028 20 0 CGADHO Cc1cccc(C2(CN[C@H]3CCC[C@@H]3[NH3+])CCCC2)c1 ZINC000422909177 371863169 /nfs/dbraw/zinc/86/31/69/371863169.db2.gz NNZDMAGZOIDORN-IRXDYDNUSA-N 1 3 272.436 3.276 20 0 CGADHO CC(C)c1nc([C@@H](C)N[C@H](C)CCCC[NH3+])cs1 ZINC000422914933 371865406 /nfs/dbraw/zinc/86/54/06/371865406.db2.gz WSKZXFLHZDSBLY-VXGBXAGGSA-N 1 3 269.458 3.435 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@@H]3CCNCC[C@@H]3C)c[nH]c21 ZINC000422914515 371866249 /nfs/dbraw/zinc/86/62/49/371866249.db2.gz UOBWLLAMLXLEEF-KBXCAEBGSA-N 1 3 299.462 3.251 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422915789 371868469 /nfs/dbraw/zinc/86/84/69/371868469.db2.gz YZRAQAYXDPRDDP-WBVHZDCISA-N 1 3 274.452 3.233 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422920676 371870269 /nfs/dbraw/zinc/87/02/69/371870269.db2.gz MOWNCBWWCIZDGW-ZRSRNVLSSA-N 1 3 284.447 3.128 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1ccccc1C ZINC000422921540 371872040 /nfs/dbraw/zinc/87/20/40/371872040.db2.gz QIJONCSMPLGKBV-ZACQAIPSSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1C ZINC000422921540 371872044 /nfs/dbraw/zinc/87/20/44/371872044.db2.gz QIJONCSMPLGKBV-ZACQAIPSSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(C)c1 ZINC000422924147 371873355 /nfs/dbraw/zinc/87/33/55/371873355.db2.gz XVLDWHKFDPXBIQ-NUJGCVRESA-N 1 3 290.451 3.130 20 0 CGADHO CC[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422930073 371875288 /nfs/dbraw/zinc/87/52/88/371875288.db2.gz SAGVRIFSLZFJFM-KCQAQPDRSA-N 1 3 296.842 3.085 20 0 CGADHO CC[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422930074 371875514 /nfs/dbraw/zinc/87/55/14/371875514.db2.gz SAGVRIFSLZFJFM-UMVBOHGHSA-N 1 3 296.842 3.085 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931725 371877322 /nfs/dbraw/zinc/87/73/22/371877322.db2.gz CPMNVCCEKVMOMF-XJKSGUPXSA-N 1 3 296.842 3.216 20 0 CGADHO CCCC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000422931832 371878197 /nfs/dbraw/zinc/87/81/97/371878197.db2.gz YCFUHDQCHSSYOZ-LBPRGKRZSA-N 1 3 261.413 3.080 20 0 CGADHO COc1cccc(CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422944248 371883462 /nfs/dbraw/zinc/88/34/62/371883462.db2.gz LDSHURKWZVRDHJ-MOPGFXCFSA-N 1 3 296.414 3.362 20 0 CGADHO C[C@H](N[C@@H](CC(C)(C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422852777 371840217 /nfs/dbraw/zinc/84/02/17/371840217.db2.gz BHIYDJMXYMYCAT-BBRMVZONSA-N 1 3 260.425 3.361 20 0 CGADHO CCC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCC1 ZINC000422851637 371840596 /nfs/dbraw/zinc/84/05/96/371840596.db2.gz PHZWOXUKPFRKIW-LBPRGKRZSA-N 1 3 261.413 3.080 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1F ZINC000422852815 371841159 /nfs/dbraw/zinc/84/11/59/371841159.db2.gz REIJAMSZBSHISB-CJNGLKHVSA-N 1 3 278.415 3.210 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1cccc(Cl)c1F ZINC000423052007 371935638 /nfs/dbraw/zinc/93/56/38/371935638.db2.gz PRKMEVGXEWQBIH-WDEREUQCSA-N 1 3 286.822 3.472 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423052007 371935642 /nfs/dbraw/zinc/93/56/42/371935642.db2.gz PRKMEVGXEWQBIH-WDEREUQCSA-N 1 3 286.822 3.472 20 0 CGADHO CSCc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423059904 371939521 /nfs/dbraw/zinc/93/95/21/371939521.db2.gz NCKPFKBXPQNKJC-XJKSGUPXSA-N 1 3 278.465 3.027 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422958729 371893337 /nfs/dbraw/zinc/89/33/37/371893337.db2.gz YXMPXYFFUUPWGO-WFASDCNBSA-N 1 3 284.806 3.129 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000422964944 371895587 /nfs/dbraw/zinc/89/55/87/371895587.db2.gz NIZJTMKPKOVVFU-CHWSQXEVSA-N 1 3 287.407 3.114 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000422964838 371895682 /nfs/dbraw/zinc/89/56/82/371895682.db2.gz JWMRLZDGTIIFAZ-NXVRBGIVSA-N 1 3 295.430 3.446 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(c2ccccc2)C1 ZINC000422966614 371895853 /nfs/dbraw/zinc/89/58/53/371895853.db2.gz NWBMFSNRMXORJB-VUVIGMMVSA-N 1 3 294.442 3.481 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCC[C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000422991375 371905533 /nfs/dbraw/zinc/90/55/33/371905533.db2.gz POEKRWDOBPFTOD-HNONPPJISA-N 1 3 288.435 3.052 20 0 CGADHO Cc1c(C)c(C)c(CN[C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1C ZINC000422994477 371906039 /nfs/dbraw/zinc/90/60/39/371906039.db2.gz HUHWUQWBJDUGGY-IAGOWNOFSA-N 1 3 274.452 3.316 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCO1 ZINC000422990783 371906768 /nfs/dbraw/zinc/90/67/68/371906768.db2.gz NYWJPHHAVUWQIX-ICUGJSFKSA-N 1 3 294.483 3.090 20 0 CGADHO Cc1cc([C@H](N[C@@H](C)C[C@@H](C)[NH3+])C2CC2)ccc1F ZINC000423009347 371914702 /nfs/dbraw/zinc/91/47/02/371914702.db2.gz CUXXEFNFXKAJGH-BFQNTYOBSA-N 1 3 264.388 3.301 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423018832 371918452 /nfs/dbraw/zinc/91/84/52/371918452.db2.gz ZXMUMXKETDSDGC-ZFWWWQNUSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCSCC(C)C ZINC000423017565 371918891 /nfs/dbraw/zinc/91/88/91/371918891.db2.gz WQPDQNLGEVTFAF-CYBMUJFWSA-N 1 3 295.496 3.279 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092389 371959078 /nfs/dbraw/zinc/95/90/78/371959078.db2.gz BSRPOFWEYQHFAG-MWQQHZPXSA-N 1 3 276.399 3.321 20 0 CGADHO Fc1cccc([C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423094736 371961745 /nfs/dbraw/zinc/96/17/45/371961745.db2.gz KQWMWTBNFKTECH-KQBLMWHVSA-N 1 3 288.410 3.334 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099587 371963918 /nfs/dbraw/zinc/96/39/18/371963918.db2.gz FPBKZGUIEUPQAE-DGCLKSJQSA-N 1 3 286.872 3.441 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423100266 371963934 /nfs/dbraw/zinc/96/39/34/371963934.db2.gz UYTRSPWKIGJPKG-ZFHLEULCSA-N 1 3 294.483 3.233 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CCC2)nc1 ZINC000423103237 371968139 /nfs/dbraw/zinc/96/81/39/371968139.db2.gz GAOYFAWWCUHVJC-GVDBMIGSSA-N 1 3 299.462 3.014 20 0 CGADHO CSc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423108120 371970908 /nfs/dbraw/zinc/97/09/08/371970908.db2.gz STALQMWPZPFJRV-UTUOFQBUSA-N 1 3 252.427 3.185 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423108222 371970995 /nfs/dbraw/zinc/97/09/95/371970995.db2.gz FTQILPJFHRLRLI-VSVYTNTFSA-N 1 3 272.436 3.158 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])ccc2[nH]1 ZINC000423110149 371972729 /nfs/dbraw/zinc/97/27/29/371972729.db2.gz ORGRGPIBFXDGOU-GDBMZVCRSA-N 1 3 271.408 3.083 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc2sccc2c1 ZINC000423120495 371976483 /nfs/dbraw/zinc/97/64/83/371976483.db2.gz GWHGGYZKZBYOTG-WFASDCNBSA-N 1 3 274.433 3.379 20 0 CGADHO Cc1cc(CCN[C@H]2CCCCC[C@@H]2[NH3+])ccc1Cl ZINC000423125624 371978827 /nfs/dbraw/zinc/97/88/27/371978827.db2.gz ANYKXPZCOJEIRA-HOTGVXAUSA-N 1 3 280.843 3.441 20 0 CGADHO C[C@H](CCC[NH3+])NCc1ccncc1OCCC(C)(C)C ZINC000423132823 371983186 /nfs/dbraw/zinc/98/31/86/371983186.db2.gz UZPSRTJHEXZRPA-CQSZACIVSA-N 1 3 293.455 3.114 20 0 CGADHO C[C@@H](N[C@@H]1CCCCC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000423134208 371984154 /nfs/dbraw/zinc/98/41/54/371984154.db2.gz DQNMKGYIJGPIHY-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCCC12CCCC2)[C@H]1CCCN1 ZINC000423134208 371984160 /nfs/dbraw/zinc/98/41/60/371984160.db2.gz DQNMKGYIJGPIHY-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000423145418 371991132 /nfs/dbraw/zinc/99/11/32/371991132.db2.gz KPKSPJZYTVKJJJ-WCQYABFASA-N 1 3 297.393 3.325 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCNCC[C@H]3C)CC2)c(C)c1 ZINC000423149554 371992971 /nfs/dbraw/zinc/99/29/71/371992971.db2.gz XTINBSZLVZGFPX-QAPCUYQASA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(C2(CN[C@H]3CC[NH2+]CC[C@H]3C)CC2)c(C)c1 ZINC000423149554 371992978 /nfs/dbraw/zinc/99/29/78/371992978.db2.gz XTINBSZLVZGFPX-QAPCUYQASA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc([C@@H](NC2CC[NH2+]CC2)C2CCC2)cc1 ZINC000423175420 372003619 /nfs/dbraw/zinc/00/36/19/372003619.db2.gz AHKBMRJYMPTFLP-KRWDZBQOSA-N 1 3 258.409 3.178 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C2CCNCC2)C2CCC2)cc1 ZINC000423175420 372003625 /nfs/dbraw/zinc/00/36/25/372003625.db2.gz AHKBMRJYMPTFLP-KRWDZBQOSA-N 1 3 258.409 3.178 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)C1CCC1 ZINC000423154989 371994110 /nfs/dbraw/zinc/99/41/10/371994110.db2.gz PWGCECOZHDTWLH-LBPRGKRZSA-N 1 3 275.440 3.326 20 0 CGADHO [NH3+][C@@H]1C[C@H](N2CCC[C@]3(CCSC3)C2)c2ccccc21 ZINC000423168192 371999849 /nfs/dbraw/zinc/99/98/49/371999849.db2.gz XOQMNSFIUOSGHF-IKGGRYGDSA-N 1 3 288.460 3.350 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423166409 372000075 /nfs/dbraw/zinc/00/00/75/372000075.db2.gz CNECVHYJJMDFQW-VWMGYNLJSA-N 1 3 270.779 3.050 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000423073068 371948175 /nfs/dbraw/zinc/94/81/75/371948175.db2.gz KKSOAQSSMNXYFD-UBDQQSCGSA-N 1 3 272.436 3.300 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000423077031 371950573 /nfs/dbraw/zinc/95/05/73/371950573.db2.gz LCKWGUOMQXZGDM-IRXDYDNUSA-N 1 3 258.409 3.171 20 0 CGADHO COCCCC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000423081667 371951657 /nfs/dbraw/zinc/95/16/57/371951657.db2.gz BVVSUKQPICRQOK-INMHGKMJSA-N 1 3 278.440 3.260 20 0 CGADHO Cc1ccc(C2(CN[C@H]3CCC[C@H]3[NH3+])CCC2)cc1C ZINC000423088525 371955399 /nfs/dbraw/zinc/95/53/99/371955399.db2.gz QJXPRBSOWDMQKX-SJORKVTESA-N 1 3 272.436 3.195 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000423090103 371955691 /nfs/dbraw/zinc/95/56/91/371955691.db2.gz WVNQQFGYDCAVEP-VUCTXSBTSA-N 1 3 276.399 3.181 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)c(C)c1 ZINC000423186780 372015753 /nfs/dbraw/zinc/01/57/53/372015753.db2.gz XIGCAGHOQWRZGW-CQSZACIVSA-N 1 3 276.424 3.316 20 0 CGADHO CC[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423192303 372016887 /nfs/dbraw/zinc/01/68/87/372016887.db2.gz ULLPAICRKOFUBK-TUAOUCFPSA-N 1 3 266.351 3.085 20 0 CGADHO CCC[C@H](NCCC[NH2+]Cc1cccnc1)c1cccnc1 ZINC000423194920 372018770 /nfs/dbraw/zinc/01/87/70/372018770.db2.gz ZMUGOPKGKAFAPT-SFHVURJKSA-N 1 3 298.434 3.087 20 0 CGADHO C[NH2+]CCCN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423197945 372021870 /nfs/dbraw/zinc/02/18/70/372021870.db2.gz CCLNFOYLIMTVMR-GARJFASQSA-N 1 3 272.845 3.093 20 0 CGADHO CNCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423197945 372021874 /nfs/dbraw/zinc/02/18/74/372021874.db2.gz CCLNFOYLIMTVMR-GARJFASQSA-N 1 3 272.845 3.093 20 0 CGADHO CCO[C@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000344158606 217078525 /nfs/dbraw/zinc/07/85/25/217078525.db2.gz CDZLSCPXORRMEM-IRXDYDNUSA-N 1 3 296.499 3.433 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423392690 372060701 /nfs/dbraw/zinc/06/07/01/372060701.db2.gz LRHHWBLFOKMCQJ-VUCTXSBTSA-N 1 3 288.435 3.005 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000423217400 372035705 /nfs/dbraw/zinc/03/57/05/372035705.db2.gz UBGNHNQMXSVCFI-BPQIPLTHSA-N 1 3 272.436 3.302 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423278019 372045873 /nfs/dbraw/zinc/04/58/73/372045873.db2.gz QJBSEIQZLSPCJP-UONOGXRCSA-N 1 3 297.240 3.009 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000423292393 372048404 /nfs/dbraw/zinc/04/84/04/372048404.db2.gz MVRZGVUQLPMZJO-DJJJIMSYSA-N 1 3 296.414 3.492 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423374429 372055246 /nfs/dbraw/zinc/05/52/46/372055246.db2.gz SVOMOGHQEFQIID-LRCAOYNASA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C)c2ccccc21 ZINC000423407595 372062101 /nfs/dbraw/zinc/06/21/01/372062101.db2.gz WBWACMZREIQWDO-OMNBBPDLSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C)c2ccccc21 ZINC000423407595 372062105 /nfs/dbraw/zinc/06/21/05/372062105.db2.gz WBWACMZREIQWDO-OMNBBPDLSA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@H](CN[C@@H](CC)[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423174398 372003902 /nfs/dbraw/zinc/00/39/02/372003902.db2.gz CAQRETCDYFWCLT-SRVKXCTJSA-N 1 3 266.351 3.085 20 0 CGADHO CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCCN1)CC(F)(F)F ZINC000423174398 372003908 /nfs/dbraw/zinc/00/39/08/372003908.db2.gz CAQRETCDYFWCLT-SRVKXCTJSA-N 1 3 266.351 3.085 20 0 CGADHO NC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCCCC1 ZINC000423175643 372005076 /nfs/dbraw/zinc/00/50/76/372005076.db2.gz FFQAQNOQJCQAII-MRXNPFEDSA-N 1 3 273.424 3.174 20 0 CGADHO CC(C)(C)CC[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000157091677 372006471 /nfs/dbraw/zinc/00/64/71/372006471.db2.gz DEZRUOFOULJGDG-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C)CC[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000157091677 372006477 /nfs/dbraw/zinc/00/64/77/372006477.db2.gz DEZRUOFOULJGDG-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C)CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157091677 372006486 /nfs/dbraw/zinc/00/64/86/372006486.db2.gz DEZRUOFOULJGDG-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@@H](NCCC[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000423177795 372006885 /nfs/dbraw/zinc/00/68/85/372006885.db2.gz JMVAKCVLQQJUQC-OAHLLOKOSA-N 1 3 284.403 3.265 20 0 CGADHO CC[C@@H](NCCC[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423178516 372009711 /nfs/dbraw/zinc/00/97/11/372009711.db2.gz KSPPSWZEUYCLCW-QGZVFWFLSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000423182115 372010619 /nfs/dbraw/zinc/01/06/19/372010619.db2.gz PVGUXJDAHAUPJC-AWEZNQCLSA-N 1 3 270.376 3.478 20 0 CGADHO COc1ccc2cc([C@@H](C)[NH2+]C3CCNCC3)ccc2c1 ZINC000423184578 372013255 /nfs/dbraw/zinc/01/32/55/372013255.db2.gz MBVFXKWGGUWIOK-CYBMUJFWSA-N 1 3 284.403 3.251 20 0 CGADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000159080772 372105381 /nfs/dbraw/zinc/10/53/81/372105381.db2.gz QASBJAYIYIWVOQ-SFHVURJKSA-N 1 3 290.451 3.228 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1ccccn1 ZINC000159127348 372108473 /nfs/dbraw/zinc/10/84/73/372108473.db2.gz YRLRFULEONCWJW-INIZCTEOSA-N 1 3 275.440 3.388 20 0 CGADHO C[C@@H]1CC2(CN1Cc1cccc(Cl)c1F)CC[NH2+]CC2 ZINC000424289136 372081903 /nfs/dbraw/zinc/08/19/03/372081903.db2.gz LSBFLYCVIVMFIH-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC000424377701 372085312 /nfs/dbraw/zinc/08/53/12/372085312.db2.gz RNRGRZBGRVNISY-ZACQAIPSSA-N 1 3 288.435 3.277 20 0 CGADHO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c(C)s1 ZINC000424372216 372085688 /nfs/dbraw/zinc/08/56/88/372085688.db2.gz HOEFEKQBBCJTRS-ZLKJLUDKSA-N 1 3 252.427 3.285 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000424370503 372085707 /nfs/dbraw/zinc/08/57/07/372085707.db2.gz DKFOUYGBCRSTMT-QLFBSQMISA-N 1 3 264.800 3.187 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344295319 217137571 /nfs/dbraw/zinc/13/75/71/217137571.db2.gz JVKVPCLYNOSAJA-BMFZPTHFSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)CCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000429050255 372310189 /nfs/dbraw/zinc/31/01/89/372310189.db2.gz SCQMREQRQZCPHI-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)CCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000429050255 372310197 /nfs/dbraw/zinc/31/01/97/372310197.db2.gz SCQMREQRQZCPHI-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000429050255 372310204 /nfs/dbraw/zinc/31/02/04/372310204.db2.gz SCQMREQRQZCPHI-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO COC1(C[C@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)CCC1 ZINC000429362401 372356335 /nfs/dbraw/zinc/35/63/35/372356335.db2.gz NIKRIKSOXCRVDT-HNNXBMFYSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431025984 372418155 /nfs/dbraw/zinc/41/81/55/372418155.db2.gz VJKOXLJHQUHKCO-CYBMUJFWSA-N 1 3 278.827 3.477 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000164278196 372514024 /nfs/dbraw/zinc/51/40/24/372514024.db2.gz SHGCCWNATADANT-LSDHHAIUSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000344489149 217207864 /nfs/dbraw/zinc/20/78/64/217207864.db2.gz XGAFGEHTOIIPTB-FVQBIDKESA-N 1 3 250.430 3.172 20 0 CGADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000166151586 372564531 /nfs/dbraw/zinc/56/45/31/372564531.db2.gz PGFNHGZDILQJNP-DLBZAZTESA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000166151697 372565672 /nfs/dbraw/zinc/56/56/72/372565672.db2.gz PGFNHGZDILQJNP-IRXDYDNUSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@]3(C)CCCO3)CC2)C1 ZINC000167055491 372586682 /nfs/dbraw/zinc/58/66/82/372586682.db2.gz LDVGJYILTBBHST-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@]3(C)CCCO3)CC2)C1 ZINC000167055491 372586685 /nfs/dbraw/zinc/58/66/85/372586685.db2.gz LDVGJYILTBBHST-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[N@H+](CC)Cc1ccccc1N1CCN(CC)CC1 ZINC000434980715 372720486 /nfs/dbraw/zinc/72/04/86/372720486.db2.gz GUUOICXJBHQDAP-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO CCC[N@@H+](CC)Cc1ccccc1N1CCN(CC)CC1 ZINC000434980715 372720491 /nfs/dbraw/zinc/72/04/91/372720491.db2.gz GUUOICXJBHQDAP-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO CC[N@H+](CCCc1ccccc1)[C@@H]1CCCNCC1 ZINC000435627472 372786720 /nfs/dbraw/zinc/78/67/20/372786720.db2.gz NOUNHPMBLPWUKA-QGZVFWFLSA-N 1 3 260.425 3.083 20 0 CGADHO CC[N@@H+](CCCc1ccccc1)[C@@H]1CCCNCC1 ZINC000435627472 372786724 /nfs/dbraw/zinc/78/67/24/372786724.db2.gz NOUNHPMBLPWUKA-QGZVFWFLSA-N 1 3 260.425 3.083 20 0 CGADHO CNCCC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000435884006 372824661 /nfs/dbraw/zinc/82/46/61/372824661.db2.gz CTUGRGMCPPVFFK-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO CNCCC[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000435884006 372824666 /nfs/dbraw/zinc/82/46/66/372824666.db2.gz CTUGRGMCPPVFFK-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO C[NH2+]CCCN(CCc1cccc(F)c1)C1CCCC1 ZINC000435884006 372824676 /nfs/dbraw/zinc/82/46/76/372824676.db2.gz CTUGRGMCPPVFFK-UHFFFAOYSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@@H+]1CCCN1CCCCC1 ZINC000444596788 373208540 /nfs/dbraw/zinc/20/85/40/373208540.db2.gz NWQNYPTVRMHCHM-MRXNPFEDSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@H+]1CCCN1CCCCC1 ZINC000444596788 373208545 /nfs/dbraw/zinc/20/85/45/373208545.db2.gz NWQNYPTVRMHCHM-MRXNPFEDSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(O)c1 ZINC000298180434 373291326 /nfs/dbraw/zinc/29/13/26/373291326.db2.gz VMWLSHMLRQOOIL-CQSZACIVSA-N 1 3 297.402 3.107 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)c(C)c1 ZINC000298601524 373363685 /nfs/dbraw/zinc/36/36/85/373363685.db2.gz ZEEMSGFHGLZTMN-UHFFFAOYSA-N 1 3 295.430 3.457 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374130 373679167 /nfs/dbraw/zinc/67/91/67/373679167.db2.gz KOSQRKMZNKXNTB-OWCLPIDISA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374130 373679174 /nfs/dbraw/zinc/67/91/74/373679174.db2.gz KOSQRKMZNKXNTB-OWCLPIDISA-N 1 3 298.434 3.006 20 0 CGADHO CCOC[C@@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177979112 373731617 /nfs/dbraw/zinc/73/16/17/373731617.db2.gz ICVLSSFOMIOABQ-OAHLLOKOSA-N 1 3 278.440 3.041 20 0 CGADHO CCOC[C@@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979112 373731622 /nfs/dbraw/zinc/73/16/22/373731622.db2.gz ICVLSSFOMIOABQ-OAHLLOKOSA-N 1 3 278.440 3.041 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccoc1 ZINC000178099171 373743243 /nfs/dbraw/zinc/74/32/43/373743243.db2.gz YGCYMBLFNNMFDW-CABCVRRESA-N 1 3 264.413 3.442 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccoc1 ZINC000178099171 373743253 /nfs/dbraw/zinc/74/32/53/373743253.db2.gz YGCYMBLFNNMFDW-CABCVRRESA-N 1 3 264.413 3.442 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCC1 ZINC000178158558 373749667 /nfs/dbraw/zinc/74/96/67/373749667.db2.gz DTGUJMIYQGTJAT-AWEZNQCLSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3COCC3(C)C)CC2)C1 ZINC000449623178 373835717 /nfs/dbraw/zinc/83/57/17/373835717.db2.gz HSIBGOAPRPRLJM-DJIMGWMZSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000178642242 373802147 /nfs/dbraw/zinc/80/21/47/373802147.db2.gz WNFBBUMPZNBQTP-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000178642242 373802153 /nfs/dbraw/zinc/80/21/53/373802153.db2.gz WNFBBUMPZNBQTP-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(C)s1 ZINC000178642242 373802160 /nfs/dbraw/zinc/80/21/60/373802160.db2.gz WNFBBUMPZNBQTP-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(C)s1 ZINC000178642242 373802169 /nfs/dbraw/zinc/80/21/69/373802169.db2.gz WNFBBUMPZNBQTP-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450449600 374137190 /nfs/dbraw/zinc/13/71/90/374137190.db2.gz FPBZOKNYBDPWLH-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450449600 374137198 /nfs/dbraw/zinc/13/71/98/374137198.db2.gz FPBZOKNYBDPWLH-CABCVRRESA-N 1 3 288.426 3.476 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(OCc2ccccc2)cc1 ZINC000309978857 374205770 /nfs/dbraw/zinc/20/57/70/374205770.db2.gz TWAYMAWABMKGFG-OAHLLOKOSA-N 1 3 284.403 3.093 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccc(Cl)cc1)CN(C)C ZINC000310744363 374224105 /nfs/dbraw/zinc/22/41/05/374224105.db2.gz IKGADGVELRLICW-CHWSQXEVSA-N 1 3 268.832 3.058 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000182236577 374244193 /nfs/dbraw/zinc/24/41/93/374244193.db2.gz KPLYWVWLIFHYPB-KRWDZBQOSA-N 1 3 276.399 3.279 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1-n1cccn1 ZINC000183176332 374381597 /nfs/dbraw/zinc/38/15/97/374381597.db2.gz SHXDFJLGTCILGW-HZPDHXFCSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCCCC1 ZINC000184501147 374530780 /nfs/dbraw/zinc/53/07/80/374530780.db2.gz RFWPIWDINXBDAK-TWMKSMIVSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](NCCOC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680821 374713638 /nfs/dbraw/zinc/71/36/38/374713638.db2.gz VCXPCWAEVQOVJH-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](NCCOC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680821 374713645 /nfs/dbraw/zinc/71/36/45/374713645.db2.gz VCXPCWAEVQOVJH-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+]CCOC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000185680821 374713649 /nfs/dbraw/zinc/71/36/49/374713649.db2.gz VCXPCWAEVQOVJH-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](c1ccc(F)cc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000334711021 374994407 /nfs/dbraw/zinc/99/44/07/374994407.db2.gz YCPDHVYFRKHINM-LBPRGKRZSA-N 1 3 280.362 3.101 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](c2ccccc2)C1 ZINC000472748119 375031140 /nfs/dbraw/zinc/03/11/40/375031140.db2.gz ILWISOBGKBOEGX-QZTJIDSGSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](c2ccccc2)C1 ZINC000472748119 375031148 /nfs/dbraw/zinc/03/11/48/375031148.db2.gz ILWISOBGKBOEGX-QZTJIDSGSA-N 1 3 272.436 3.350 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000335032732 375081119 /nfs/dbraw/zinc/08/11/19/375081119.db2.gz ZEVHCRHSMXEDAI-PIOWNMBXSA-N 1 3 282.790 3.137 20 0 CGADHO COc1cc(CN2CCCC23CC[NH+](C)CC3)ccc1C ZINC000335801165 375441962 /nfs/dbraw/zinc/44/19/62/375441962.db2.gz HFPSHIAWLUBSAK-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1cc(C[N@@H+]2CCCC23CCN(C)CC3)ccc1C ZINC000335801165 375441970 /nfs/dbraw/zinc/44/19/70/375441970.db2.gz HFPSHIAWLUBSAK-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1cc(C[N@H+]2CCCC23CCN(C)CC3)ccc1C ZINC000335801165 375441977 /nfs/dbraw/zinc/44/19/77/375441977.db2.gz HFPSHIAWLUBSAK-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO CC[C@H](CN[C@@H](C)[C@@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889219 375482664 /nfs/dbraw/zinc/48/26/64/375482664.db2.gz SQMDXCQHBYNCSP-CGTJXYLNSA-N 1 3 290.451 3.227 20 0 CGADHO Cc1cc(Cl)cc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000507213771 375689286 /nfs/dbraw/zinc/68/92/86/375689286.db2.gz PHQIQEJQFNCUNU-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1Cl ZINC000507626910 375717804 /nfs/dbraw/zinc/71/78/04/375717804.db2.gz UTCWFYXPMKPLCC-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC000509049947 375769477 /nfs/dbraw/zinc/76/94/77/375769477.db2.gz AMFUIHMGVRINGM-OAHLLOKOSA-N 1 3 285.435 3.353 20 0 CGADHO Oc1cccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192922296 375802444 /nfs/dbraw/zinc/80/24/44/375802444.db2.gz HVILECKMTCAIPS-SFHVURJKSA-N 1 3 296.414 3.004 20 0 CGADHO c1ccc2c(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002729 375808267 /nfs/dbraw/zinc/80/82/67/375808267.db2.gz UETCARUTGPGWHY-BEFAXECRSA-N 1 3 295.430 3.199 20 0 CGADHO Cc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192805457 375790913 /nfs/dbraw/zinc/79/09/13/375790913.db2.gz VDVDLSYMIRUSBK-ALOPSCKCSA-N 1 3 284.447 3.241 20 0 CGADHO Cc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192805457 375790918 /nfs/dbraw/zinc/79/09/18/375790918.db2.gz VDVDLSYMIRUSBK-ALOPSCKCSA-N 1 3 284.447 3.241 20 0 CGADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1Cl ZINC000193285528 375852287 /nfs/dbraw/zinc/85/22/87/375852287.db2.gz DTLZTQIYOIISEI-GOOCMWNKSA-N 1 3 278.827 3.363 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000536859000 376137855 /nfs/dbraw/zinc/13/78/55/376137855.db2.gz SHQFSVHOIKRYBS-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO COc1ccc2cc(CN3C[C@H](C[NH3+])C[C@H]3C)ccc2c1 ZINC000215977177 376155607 /nfs/dbraw/zinc/15/56/07/376155607.db2.gz DKIPQNIHRMVCEG-HIFRSBDPSA-N 1 3 284.403 3.018 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C2(CC)CC)C1 ZINC000537296788 376160309 /nfs/dbraw/zinc/16/03/09/376160309.db2.gz ZZIQGQNJPLUODU-IKGGRYGDSA-N 1 3 296.499 3.292 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000337378020 376217311 /nfs/dbraw/zinc/21/73/11/376217311.db2.gz BSHMYFYGRYKYQI-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO FC1(F)CCC[C@@H](CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000338319776 376332283 /nfs/dbraw/zinc/33/22/83/376332283.db2.gz RRZDYEUGOWNIOR-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000338319776 376332287 /nfs/dbraw/zinc/33/22/87/376332287.db2.gz RRZDYEUGOWNIOR-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000338319776 376332291 /nfs/dbraw/zinc/33/22/91/376332291.db2.gz RRZDYEUGOWNIOR-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CC)C2)C12CCCCC2 ZINC000226811111 376375779 /nfs/dbraw/zinc/37/57/79/376375779.db2.gz DDNDWAZHZHFTNK-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CCC[NH2+]Cc1ccccc1OCCN(C)C ZINC000338458600 376381909 /nfs/dbraw/zinc/38/19/09/376381909.db2.gz XKTCUCXDMNXDCD-UHFFFAOYSA-N 1 3 278.440 3.153 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(C4CC4)c3)C[C@H]21 ZINC000228536653 376440198 /nfs/dbraw/zinc/44/01/98/376440198.db2.gz UVDGKGYPHOEWJS-KZNAEPCWSA-N 1 3 270.420 3.123 20 0 CGADHO Cc1cc(C)cc(OCCCN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000234290043 376615721 /nfs/dbraw/zinc/61/57/21/376615721.db2.gz FOPSOSJIQDVXMJ-QGZVFWFLSA-N 1 3 290.451 3.146 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000245787341 376908580 /nfs/dbraw/zinc/90/85/80/376908580.db2.gz VNEMPINBGGTLJK-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000245787341 376908584 /nfs/dbraw/zinc/90/85/84/376908584.db2.gz VNEMPINBGGTLJK-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc[nH]c1 ZINC000246031944 376954407 /nfs/dbraw/zinc/95/44/07/376954407.db2.gz PVIDIUZNASANRE-MNZLEMJZSA-N 1 3 297.446 3.261 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc[nH]c1 ZINC000246031944 376954416 /nfs/dbraw/zinc/95/44/16/376954416.db2.gz PVIDIUZNASANRE-MNZLEMJZSA-N 1 3 297.446 3.261 20 0 CGADHO CC(CN1[C@H](C)CC[C@H]1C)C[NH+]1[C@H](C)CC[C@H]1C ZINC000246460297 377034775 /nfs/dbraw/zinc/03/47/75/377034775.db2.gz FWDSHMKXJVAMFU-KLHDSHLOSA-N 1 3 252.446 3.368 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000558229196 376985010 /nfs/dbraw/zinc/98/50/10/376985010.db2.gz XLPXMPHULFIEAZ-QZTJIDSGSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246254197 376998015 /nfs/dbraw/zinc/99/80/15/376998015.db2.gz WTAYKEAVRQEPTA-MJGOQNOKSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246254197 376998020 /nfs/dbraw/zinc/99/80/20/376998020.db2.gz WTAYKEAVRQEPTA-MJGOQNOKSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@H](CCc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254197 376998026 /nfs/dbraw/zinc/99/80/26/376998026.db2.gz WTAYKEAVRQEPTA-MJGOQNOKSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(C2CC2)c1 ZINC000340315571 376998147 /nfs/dbraw/zinc/99/81/47/376998147.db2.gz HFBYBQCPDGXVLB-CQSZACIVSA-N 1 3 270.420 3.477 20 0 CGADHO CSC1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000558400526 377002583 /nfs/dbraw/zinc/00/25/83/377002583.db2.gz DLGNUMKWFBDNHY-INIZCTEOSA-N 1 3 296.524 3.470 20 0 CGADHO Cc1ccccc1C(C)(C)NCCC[NH+]1CCCC1 ZINC000559326180 377080754 /nfs/dbraw/zinc/08/07/54/377080754.db2.gz DAGNPWJLPWJKGN-UHFFFAOYSA-N 1 3 260.425 3.306 20 0 CGADHO C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000340468854 377081197 /nfs/dbraw/zinc/08/11/97/377081197.db2.gz UVEFTIGUTCIRKT-DZJNRPSUSA-N 1 3 290.426 3.235 20 0 CGADHO C[N@@H+]1CC[C@H](NCCSc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000560521387 377164276 /nfs/dbraw/zinc/16/42/76/377164276.db2.gz KPGFFNAHAHQIMS-YESZJQIVSA-N 1 3 290.476 3.241 20 0 CGADHO C[N@H+]1CC[C@H](NCCSc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000560521387 377164284 /nfs/dbraw/zinc/16/42/84/377164284.db2.gz KPGFFNAHAHQIMS-YESZJQIVSA-N 1 3 290.476 3.241 20 0 CGADHO Cc1cc(C[N@@H+](C)CCCN(C)C)ccc1Br ZINC000561970516 377259689 /nfs/dbraw/zinc/25/96/89/377259689.db2.gz OKBHAJOIMXRXRH-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO Cc1cc(C[N@H+](C)CCCN(C)C)ccc1Br ZINC000561970516 377259694 /nfs/dbraw/zinc/25/96/94/377259694.db2.gz OKBHAJOIMXRXRH-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000247388471 377200785 /nfs/dbraw/zinc/20/07/85/377200785.db2.gz VMRNZBBFLAHEST-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccoc2)[C@H](C)C1 ZINC000248197989 377278976 /nfs/dbraw/zinc/27/89/76/377278976.db2.gz XSCWMGOCMFYXLQ-INMHGKMJSA-N 1 3 294.439 3.067 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000249385191 377496308 /nfs/dbraw/zinc/49/63/08/377496308.db2.gz ZAVWSAUICJGUBU-CHWSQXEVSA-N 1 3 298.377 3.280 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cccc(OC)c1F ZINC000165787172 542172383 /nfs/dbraw/zinc/17/23/83/542172383.db2.gz SJMMYZAJSRTVAB-CQSZACIVSA-N 1 3 296.430 3.434 20 0 CGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313343697 249091480 /nfs/dbraw/zinc/09/14/80/249091480.db2.gz OXBLZRSJUCQHGJ-WMLDXEAASA-N 1 3 290.451 3.095 20 0 CGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@H](CN)C1 ZINC000313343697 249091482 /nfs/dbraw/zinc/09/14/82/249091482.db2.gz OXBLZRSJUCQHGJ-WMLDXEAASA-N 1 3 290.451 3.095 20 0 CGADHO Cc1cc2cc(CN3C[C@H](C[NH3+])C[C@@H]3C)oc2cc1C ZINC000469857913 249160192 /nfs/dbraw/zinc/16/01/92/249160192.db2.gz YZXIRJWKOHZNBT-KBPBESRZSA-N 1 3 272.392 3.219 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250605687 377563373 /nfs/dbraw/zinc/56/33/73/377563373.db2.gz LEGGIUXQRSYDTC-JSGCOSHPSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250605687 377563382 /nfs/dbraw/zinc/56/33/82/377563382.db2.gz LEGGIUXQRSYDTC-JSGCOSHPSA-N 1 3 264.438 3.057 20 0 CGADHO COc1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c2ccccc12 ZINC000251837239 377601534 /nfs/dbraw/zinc/60/15/34/377601534.db2.gz QBXFPKHERLDTBX-CXAGYDPISA-N 1 3 284.403 3.018 20 0 CGADHO CC/C=C\CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000342236718 377636195 /nfs/dbraw/zinc/63/61/95/377636195.db2.gz SSXXTJOIZBPBGS-MJSXRHKHSA-N 1 3 250.430 3.293 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000252700202 377651398 /nfs/dbraw/zinc/65/13/98/377651398.db2.gz YMXVQENWXDMUDW-HZPDHXFCSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252700202 377651407 /nfs/dbraw/zinc/65/14/07/377651407.db2.gz YMXVQENWXDMUDW-HZPDHXFCSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000252700202 377651420 /nfs/dbraw/zinc/65/14/20/377651420.db2.gz YMXVQENWXDMUDW-HZPDHXFCSA-N 1 3 290.451 3.177 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N(C)C[C@H]1CCC[NH2+]C1 ZINC000261596009 377822976 /nfs/dbraw/zinc/82/29/76/377822976.db2.gz JSZVHWMHUIHLMR-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@H]1CCCNC1 ZINC000261596009 377822983 /nfs/dbraw/zinc/82/29/83/377822983.db2.gz JSZVHWMHUIHLMR-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@H]1CCCNC1 ZINC000261596009 377822987 /nfs/dbraw/zinc/82/29/87/377822987.db2.gz JSZVHWMHUIHLMR-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261587676 377824080 /nfs/dbraw/zinc/82/40/80/377824080.db2.gz VCEYABINVFWZMW-CWVYHPPDSA-N 1 3 250.430 3.075 20 0 CGADHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000261587676 377824084 /nfs/dbraw/zinc/82/40/84/377824084.db2.gz VCEYABINVFWZMW-CWVYHPPDSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccccc1[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261697507 377838230 /nfs/dbraw/zinc/83/82/30/377838230.db2.gz CDCJSDRFKKHJKS-IAGOWNOFSA-N 1 3 258.409 3.132 20 0 CGADHO CC(C)C1CCC(N(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261890442 377865489 /nfs/dbraw/zinc/86/54/89/377865489.db2.gz SYAOHALXWLCQFA-UYSNPLJNSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039799 377881851 /nfs/dbraw/zinc/88/18/51/377881851.db2.gz PAPOYMNNBVYOCL-JKSUJKDBSA-N 1 3 264.457 3.278 20 0 CGADHO CCO[C@@H]1C[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033408 377882083 /nfs/dbraw/zinc/88/20/83/377882083.db2.gz OGZZFUWLTOEPDZ-BBWFWOEESA-N 1 3 294.483 3.046 20 0 CGADHO c1ccc2ncc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cc2c1 ZINC000262141119 377888960 /nfs/dbraw/zinc/88/89/60/377888960.db2.gz MJLMTVWHDKDVKF-SFHVURJKSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000577964093 378026944 /nfs/dbraw/zinc/02/69/44/378026944.db2.gz YGPCFOCIPNCXMB-DNNBLBMLSA-N 1 3 258.409 3.170 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc2c(c1)COC2 ZINC000268894125 378145832 /nfs/dbraw/zinc/14/58/32/378145832.db2.gz VJRGSSCWATUJHR-LSDHHAIUSA-N 1 3 288.435 3.099 20 0 CGADHO CCN(CCc1c(F)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000345208210 378223695 /nfs/dbraw/zinc/22/36/95/378223695.db2.gz PMAUHECOPMYEJT-ZDUSSCGKSA-N 1 3 298.833 3.486 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000581005725 378275912 /nfs/dbraw/zinc/27/59/12/378275912.db2.gz DPKDOLGOTCJOQW-ZDUSSCGKSA-N 1 3 273.424 3.222 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054707 378281362 /nfs/dbraw/zinc/28/13/62/378281362.db2.gz AJTPTKGAUBKLOO-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054707 378281363 /nfs/dbraw/zinc/28/13/63/378281363.db2.gz AJTPTKGAUBKLOO-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054707 378281365 /nfs/dbraw/zinc/28/13/65/378281365.db2.gz AJTPTKGAUBKLOO-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054707 378281366 /nfs/dbraw/zinc/28/13/66/378281366.db2.gz AJTPTKGAUBKLOO-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000582327896 378304680 /nfs/dbraw/zinc/30/46/80/378304680.db2.gz CDMVSAHLXKFIEB-CZUORRHYSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000582327896 378304683 /nfs/dbraw/zinc/30/46/83/378304683.db2.gz CDMVSAHLXKFIEB-CZUORRHYSA-N 1 3 280.843 3.420 20 0 CGADHO CC[NH+]1CCC(CN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000582372436 378308189 /nfs/dbraw/zinc/30/81/89/378308189.db2.gz XUTMPGFIICHRDF-MRXNPFEDSA-N 1 3 294.389 3.274 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+](C)CCCN(C)C ZINC000583592101 378333633 /nfs/dbraw/zinc/33/36/33/378333633.db2.gz RMCUKWYGVGJCPS-UHFFFAOYSA-N 1 3 260.381 3.125 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+](C)CCCN(C)C ZINC000583592101 378333638 /nfs/dbraw/zinc/33/36/38/378333638.db2.gz RMCUKWYGVGJCPS-UHFFFAOYSA-N 1 3 260.381 3.125 20 0 CGADHO CC(C)C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccn1 ZINC000272502999 378651775 /nfs/dbraw/zinc/65/17/75/378651775.db2.gz DWEWYSGDJZUDEN-QGZVFWFLSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638320304 378769451 /nfs/dbraw/zinc/76/94/51/378769451.db2.gz JAGODBQJMYUQFX-UHFFFAOYSA-N 1 3 285.435 3.141 20 0 CGADHO C[C@@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000638377540 378784406 /nfs/dbraw/zinc/78/44/06/378784406.db2.gz PVCBNEXYFHRPCC-VJANTYMQSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000638377540 378784410 /nfs/dbraw/zinc/78/44/10/378784410.db2.gz PVCBNEXYFHRPCC-VJANTYMQSA-N 1 3 284.447 3.397 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](OC)C2CC2)c1 ZINC000638382140 378786159 /nfs/dbraw/zinc/78/61/59/378786159.db2.gz SLTLGBRNUYJOHW-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO Fc1cc(CNCC2CC[NH+](C3CC3)CC2)cc(F)c1F ZINC000278483353 194005868 /nfs/dbraw/zinc/00/58/68/194005868.db2.gz JVNJRWODTFFSCY-UHFFFAOYSA-N 1 3 298.352 3.068 20 0 CGADHO Cc1cc(NC[C@@H](c2ccccc2)N(C)C)cc[nH+]1 ZINC000274338002 378813720 /nfs/dbraw/zinc/81/37/20/378813720.db2.gz HNGOECOHGMWKPJ-INIZCTEOSA-N 1 3 255.365 3.105 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@](C)(c2ccccc2)C1 ZINC000348254450 378865681 /nfs/dbraw/zinc/86/56/81/378865681.db2.gz DYZUJMMSFREYDG-QZTJIDSGSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@](C)(c2ccccc2)C1 ZINC000348254450 378865689 /nfs/dbraw/zinc/86/56/89/378865689.db2.gz DYZUJMMSFREYDG-QZTJIDSGSA-N 1 3 272.436 3.134 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000347060951 218108667 /nfs/dbraw/zinc/10/86/67/218108667.db2.gz YGOPFXCQJNFDSO-TZMCWYRMSA-N 1 3 274.433 3.461 20 0 CGADHO CO[C@@H](C[N@@H+]1CCCC12CCN(C)CC2)C1CCCCC1 ZINC000639080808 379006968 /nfs/dbraw/zinc/00/69/68/379006968.db2.gz DDRHKQISXMKFSF-KRWDZBQOSA-N 1 3 294.483 3.142 20 0 CGADHO CO[C@@H](C[N@H+]1CCCC12CCN(C)CC2)C1CCCCC1 ZINC000639080808 379006971 /nfs/dbraw/zinc/00/69/71/379006971.db2.gz DDRHKQISXMKFSF-KRWDZBQOSA-N 1 3 294.483 3.142 20 0 CGADHO COc1cc(C)c([C@@H](C)N(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000639081900 379007035 /nfs/dbraw/zinc/00/70/35/379007035.db2.gz WCPCZGKDMPXYAF-CVEARBPZSA-N 1 3 290.451 3.257 20 0 CGADHO COc1cc(C)c([C@@H](C)N(C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000639081900 379007041 /nfs/dbraw/zinc/00/70/41/379007041.db2.gz WCPCZGKDMPXYAF-CVEARBPZSA-N 1 3 290.451 3.257 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495557 379024259 /nfs/dbraw/zinc/02/42/59/379024259.db2.gz YYDJKCLQJGFDJT-SJLPKXTDSA-N 1 3 288.435 3.014 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000370495557 379024263 /nfs/dbraw/zinc/02/42/63/379024263.db2.gz YYDJKCLQJGFDJT-SJLPKXTDSA-N 1 3 288.435 3.014 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277103524 379069797 /nfs/dbraw/zinc/06/97/97/379069797.db2.gz GRKJWNDNNVXEPM-HOTGVXAUSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277103524 379069809 /nfs/dbraw/zinc/06/98/09/379069809.db2.gz GRKJWNDNNVXEPM-HOTGVXAUSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277103524 379069816 /nfs/dbraw/zinc/06/98/16/379069816.db2.gz GRKJWNDNNVXEPM-HOTGVXAUSA-N 1 3 260.425 3.472 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)CC1 ZINC000277159495 379085573 /nfs/dbraw/zinc/08/55/73/379085573.db2.gz KBJFTRVSLKOCJI-WMZOPIPTSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)CC1 ZINC000277159495 379085574 /nfs/dbraw/zinc/08/55/74/379085574.db2.gz KBJFTRVSLKOCJI-WMZOPIPTSA-N 1 3 272.436 3.480 20 0 CGADHO C[NH+](C)[C@H]1CCCN([C@H]2CCCc3ccccc32)CC1 ZINC000277159495 379085576 /nfs/dbraw/zinc/08/55/76/379085576.db2.gz KBJFTRVSLKOCJI-WMZOPIPTSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000277994853 379279572 /nfs/dbraw/zinc/27/95/72/379279572.db2.gz CWVPVGRQFWUGLZ-LBPRGKRZSA-N 1 3 294.389 3.490 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000639360359 379319170 /nfs/dbraw/zinc/31/91/70/379319170.db2.gz WADMSYDJNCGLRD-ATLSCFEFSA-N 1 3 272.436 3.000 20 0 CGADHO CCC1([NH+](C)C)CCN(C[C@@]2(C)CCCS2)CC1 ZINC000639379175 379336659 /nfs/dbraw/zinc/33/66/59/379336659.db2.gz VBSNVVKTWBZNTE-CQSZACIVSA-N 1 3 270.486 3.078 20 0 CGADHO CCC1(N(C)C)CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000639379175 379336669 /nfs/dbraw/zinc/33/66/69/379336669.db2.gz VBSNVVKTWBZNTE-CQSZACIVSA-N 1 3 270.486 3.078 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3ccccc3Cl)C2)CC1 ZINC000639754543 379570038 /nfs/dbraw/zinc/57/00/38/379570038.db2.gz BZZFJAVFCDTJJA-UHFFFAOYSA-N 1 3 278.827 3.258 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758247 379573070 /nfs/dbraw/zinc/57/30/70/379573070.db2.gz RRPIYEKOODRWCT-CYBMUJFWSA-N 1 3 294.389 3.444 20 0 CGADHO Cc1cccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)c1 ZINC000378287755 379799190 /nfs/dbraw/zinc/79/91/90/379799190.db2.gz BQCAOYIVUIVEAJ-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO Cc1cccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)c1 ZINC000378287755 379799198 /nfs/dbraw/zinc/79/91/98/379799198.db2.gz BQCAOYIVUIVEAJ-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO COc1ccc([C@@H](C)C[N@@H+]2CCCC[C@@H]2CCN)cc1 ZINC000352535226 379846728 /nfs/dbraw/zinc/84/67/28/379846728.db2.gz OADVVVLZNWBCFG-GOEBONIOSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@@H](C)C[N@H+]2CCCC[C@@H]2CCN)cc1 ZINC000352535226 379846732 /nfs/dbraw/zinc/84/67/32/379846732.db2.gz OADVVVLZNWBCFG-GOEBONIOSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@@H](C)CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352535226 379846736 /nfs/dbraw/zinc/84/67/36/379846736.db2.gz OADVVVLZNWBCFG-GOEBONIOSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1cccnc1CN(C)CCCC[NH+]1CCCCC1 ZINC000640533174 379819098 /nfs/dbraw/zinc/81/90/98/379819098.db2.gz NXQAYCGDCWDYIE-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000392864077 379913239 /nfs/dbraw/zinc/91/32/39/379913239.db2.gz GAZFPAQHUJZESF-HUUCEWRRSA-N 1 3 270.486 3.126 20 0 CGADHO CCc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000352821519 379981894 /nfs/dbraw/zinc/98/18/94/379981894.db2.gz PXJNHTJOGCHUOT-INIZCTEOSA-N 1 3 289.467 3.246 20 0 CGADHO CCc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000352821519 379981901 /nfs/dbraw/zinc/98/19/01/379981901.db2.gz PXJNHTJOGCHUOT-INIZCTEOSA-N 1 3 289.467 3.246 20 0 CGADHO C[N@H+]1CC=C(CNCc2cscc2C(F)(F)F)CC1 ZINC000352839566 379995399 /nfs/dbraw/zinc/99/53/99/379995399.db2.gz NARKHFKOYXLZJT-UHFFFAOYSA-N 1 3 290.354 3.118 20 0 CGADHO C[N@@H+]1CC=C(CNCc2cscc2C(F)(F)F)CC1 ZINC000352839566 379995406 /nfs/dbraw/zinc/99/54/06/379995406.db2.gz NARKHFKOYXLZJT-UHFFFAOYSA-N 1 3 290.354 3.118 20 0 CGADHO CN1CCC(Oc2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000283803330 380093160 /nfs/dbraw/zinc/09/31/60/380093160.db2.gz ATDCJDNDGMHGLV-UHFFFAOYSA-N 1 3 288.435 3.192 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790252 380099425 /nfs/dbraw/zinc/09/94/25/380099425.db2.gz VWBPLZDOAUSZMS-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790252 380099432 /nfs/dbraw/zinc/09/94/32/380099432.db2.gz VWBPLZDOAUSZMS-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641790252 380099439 /nfs/dbraw/zinc/09/94/39/380099439.db2.gz VWBPLZDOAUSZMS-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000643474708 380317688 /nfs/dbraw/zinc/31/76/88/380317688.db2.gz XEFJCZCEUKDJAH-DZGCQCFKSA-N 1 3 298.377 3.471 20 0 CGADHO CC[C@H](Cc1cccs1)NCC1([NH3+])CCCCC1 ZINC000643496529 380318582 /nfs/dbraw/zinc/31/85/82/380318582.db2.gz ZSLJZYSCTMUDPK-CYBMUJFWSA-N 1 3 266.454 3.320 20 0 CGADHO Cc1ccc(CCC[NH2+][C@H]2CCCC[C@@H]2CN)c(C)c1 ZINC000643457023 380308471 /nfs/dbraw/zinc/30/84/71/380308471.db2.gz CYCXBSXRODNNRP-MSOLQXFVSA-N 1 3 274.452 3.343 20 0 CGADHO Cc1noc(C)c1[C@H](C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643471073 380315638 /nfs/dbraw/zinc/31/56/38/380315638.db2.gz XVLFFWLDCGRWKN-IOASZLSFSA-N 1 3 293.455 3.295 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643548918 380364482 /nfs/dbraw/zinc/36/44/82/380364482.db2.gz XLGJXGFPXQFPLM-GJZGRUSLSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692205 380376901 /nfs/dbraw/zinc/37/69/01/380376901.db2.gz KJBYCBFNRNBWEU-OLZOCXBDSA-N 1 3 278.827 3.086 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000414698935 380380455 /nfs/dbraw/zinc/38/04/55/380380455.db2.gz DNUVZJMYNQCDRV-CQSZACIVSA-N 1 3 252.377 3.024 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000643522847 380339069 /nfs/dbraw/zinc/33/90/69/380339069.db2.gz SZYGBUJRYXPYHA-BRWVUGGUSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCCNCC2)C[C@@H]1c1ccccc1 ZINC000643522847 380339073 /nfs/dbraw/zinc/33/90/73/380339073.db2.gz SZYGBUJRYXPYHA-BRWVUGGUSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643522981 380339136 /nfs/dbraw/zinc/33/91/36/380339136.db2.gz RTWQHXRXPIOSMM-OAGGEKHMSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H](NC[C@H](C)[NH3+])C(c1ccccc1)c1ccccc1 ZINC000643527092 380342963 /nfs/dbraw/zinc/34/29/63/380342963.db2.gz CVXLEVQMJWELAH-LSDHHAIUSA-N 1 3 268.404 3.144 20 0 CGADHO Cc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000354165127 380351083 /nfs/dbraw/zinc/35/10/83/380351083.db2.gz FAZLAOWSJJCMLM-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354165127 380351086 /nfs/dbraw/zinc/35/10/86/380351086.db2.gz FAZLAOWSJJCMLM-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1nccc2ccccc21 ZINC000643536290 380352399 /nfs/dbraw/zinc/35/23/99/380352399.db2.gz PZVWQAMIKQTDGD-CJNGLKHVSA-N 1 3 281.403 3.028 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)ccc1C(F)(F)F ZINC000414664345 380358588 /nfs/dbraw/zinc/35/85/88/380358588.db2.gz SKFHUJOKYCWTJA-YPMHNXCESA-N 1 3 286.341 3.183 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@H](C)[C@@H]1OC ZINC000643547904 380363033 /nfs/dbraw/zinc/36/30/33/380363033.db2.gz KRCPUMKQIZWGRA-JJXSEGSLSA-N 1 3 294.483 3.090 20 0 CGADHO C1CC(C([NH2+][C@@H]2CCNC3(CCC3)C2)C2CCC2)C1 ZINC000643547955 380363075 /nfs/dbraw/zinc/36/30/75/380363075.db2.gz LEVWIELNUQTMRX-OAHLLOKOSA-N 1 3 262.441 3.220 20 0 CGADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414815337 380426817 /nfs/dbraw/zinc/42/68/17/380426817.db2.gz XGATWJFZMHGVJQ-ZDUSSCGKSA-N 1 3 270.376 3.005 20 0 CGADHO C[C@H]([NH2+]CCCc1c(F)cccc1Cl)[C@@H]1CCCNC1 ZINC000414819981 380430742 /nfs/dbraw/zinc/43/07/42/380430742.db2.gz ITDBRRDYCJOYFW-QWHCGFSZSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@H](NCCCc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000414819981 380430748 /nfs/dbraw/zinc/43/07/48/380430748.db2.gz ITDBRRDYCJOYFW-QWHCGFSZSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000414827505 380435297 /nfs/dbraw/zinc/43/52/97/380435297.db2.gz XQTOAIAIMMGGRP-BFYDXBDKSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000414825890 380436486 /nfs/dbraw/zinc/43/64/86/380436486.db2.gz UOYPVESQJSSVQB-DKKFBQAASA-N 1 3 286.463 3.475 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414844469 380449585 /nfs/dbraw/zinc/44/95/85/380449585.db2.gz RLCWXCPEXNUMKD-JGGQBBKZSA-N 1 3 280.843 3.421 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414844469 380449588 /nfs/dbraw/zinc/44/95/88/380449588.db2.gz RLCWXCPEXNUMKD-JGGQBBKZSA-N 1 3 280.843 3.421 20 0 CGADHO Clc1cccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774641 380399111 /nfs/dbraw/zinc/39/91/11/380399111.db2.gz FOALQLOLNXWIKD-HUUCEWRRSA-N 1 3 278.827 3.162 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cnc(-c2ccccc2)s1 ZINC000414789633 380406444 /nfs/dbraw/zinc/40/64/44/380406444.db2.gz FOZLSPPSFRRFDK-UKRRQHHQSA-N 1 3 287.432 3.027 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2ccccc2c1 ZINC000414793621 380409469 /nfs/dbraw/zinc/40/94/69/380409469.db2.gz KZFNHFSVKJSMJF-DLBZAZTESA-N 1 3 254.377 3.057 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NCC(C)(C)[NH3+] ZINC000414797432 380410148 /nfs/dbraw/zinc/41/01/48/380410148.db2.gz DCKBENWHNTUTHW-VIFPVBQESA-N 1 3 260.834 3.050 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NCC(C)(C)[NH3+] ZINC000414797431 380410301 /nfs/dbraw/zinc/41/03/01/380410301.db2.gz DCKBENWHNTUTHW-SECBINFHSA-N 1 3 260.834 3.050 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414797905 380410614 /nfs/dbraw/zinc/41/06/14/380410614.db2.gz IQCGEMILKPVSAC-BRWVUGGUSA-N 1 3 260.425 3.115 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000414795886 380410762 /nfs/dbraw/zinc/41/07/62/380410762.db2.gz XNVVPTRYAVUMRV-AEFFLSMTSA-N 1 3 272.436 3.445 20 0 CGADHO CCSc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414800072 380413151 /nfs/dbraw/zinc/41/31/51/380413151.db2.gz KOKSYRXARABPON-GDBMZVCRSA-N 1 3 278.465 3.406 20 0 CGADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414803877 380415750 /nfs/dbraw/zinc/41/57/50/380415750.db2.gz WZBDULTXTNIGOL-IBGZPJMESA-N 1 3 298.430 3.339 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccc(C)cc1 ZINC000414804421 380416256 /nfs/dbraw/zinc/41/62/56/380416256.db2.gz DVWBJAMFEDJJTM-OAHLLOKOSA-N 1 3 262.441 3.423 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1cccc(F)c1 ZINC000414810144 380422247 /nfs/dbraw/zinc/42/22/47/380422247.db2.gz NPYXZYBPGGZNDN-ZDUSSCGKSA-N 1 3 266.404 3.254 20 0 CGADHO CCSc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414927972 380491489 /nfs/dbraw/zinc/49/14/89/380491489.db2.gz PSFUBFXMPYLQIG-KBPBESRZSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C)[C@@H]1CCCNC1 ZINC000414858310 380460669 /nfs/dbraw/zinc/46/06/69/380460669.db2.gz RGUQCIUWEUYSJL-QKGUJMCYSA-N 1 3 272.436 3.156 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](C)CN ZINC000414880419 380472725 /nfs/dbraw/zinc/47/27/25/380472725.db2.gz QRATVVNWMIKMKI-BBRMVZONSA-N 1 3 282.859 3.482 20 0 CGADHO CCCCCOc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000414888419 380475901 /nfs/dbraw/zinc/47/59/01/380475901.db2.gz RKAOESJRZJSAMH-AWEZNQCLSA-N 1 3 264.413 3.083 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414895765 380478184 /nfs/dbraw/zinc/47/81/84/380478184.db2.gz ZJWWMSPBJYCGCV-LEUOFYLZSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000414900247 380480408 /nfs/dbraw/zinc/48/04/08/380480408.db2.gz ICVMHUFOBPEDEZ-WMZOPIPTSA-N 1 3 274.452 3.235 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CC23CC3)CC1 ZINC000417366533 380611100 /nfs/dbraw/zinc/61/11/00/380611100.db2.gz OWRWFGBUNQDCQO-VYDXJSESSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CC23CC3)CC1 ZINC000417366533 380611108 /nfs/dbraw/zinc/61/11/08/380611108.db2.gz OWRWFGBUNQDCQO-VYDXJSESSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(OCCN(C)C)cc1 ZINC000348324762 218575649 /nfs/dbraw/zinc/57/56/49/218575649.db2.gz LDQJEIHMNJPDMT-CWRNSKLLSA-N 1 3 294.414 3.168 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358195851 381296088 /nfs/dbraw/zinc/29/60/88/381296088.db2.gz CWCHEXYBGLOCNU-HOCLYGCPSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000358195851 381296090 /nfs/dbraw/zinc/29/60/90/381296090.db2.gz CWCHEXYBGLOCNU-HOCLYGCPSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000359101014 381337531 /nfs/dbraw/zinc/33/75/31/381337531.db2.gz CGKYTBZCRRZCSI-JFIYKMOQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCCOC2)CC1 ZINC000359101014 381337537 /nfs/dbraw/zinc/33/75/37/381337537.db2.gz CGKYTBZCRRZCSI-JFIYKMOQSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H]1CN(CCCOc2cc(C)ccc2C)CC[C@H]1[NH3+] ZINC000251633779 542347564 /nfs/dbraw/zinc/34/75/64/542347564.db2.gz FPAQSIBMEJTSQJ-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417972 542349626 /nfs/dbraw/zinc/34/96/26/542349626.db2.gz TYQQYKCGJCYVPT-ZWKOTPCHSA-N 1 3 272.436 3.267 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722588 542350903 /nfs/dbraw/zinc/35/09/03/542350903.db2.gz QZMCTNBWGRFUAL-GUYCJALGSA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722588 542350907 /nfs/dbraw/zinc/35/09/07/542350907.db2.gz QZMCTNBWGRFUAL-GUYCJALGSA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000252722588 542350910 /nfs/dbraw/zinc/35/09/10/542350910.db2.gz QZMCTNBWGRFUAL-GUYCJALGSA-N 1 3 292.854 3.127 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422715234 296345071 /nfs/dbraw/zinc/34/50/71/296345071.db2.gz SBKDVZKDGXDVOW-DZVNLGKHSA-N 1 3 294.483 3.092 20 0 CGADHO COc1ccccc1[C@@H]([NH2+]C[C@H](N)C1CC1)C1CCCC1 ZINC000423319682 532981542 /nfs/dbraw/zinc/98/15/42/532981542.db2.gz LWQLUBZPXKBHSL-WMZOPIPTSA-N 1 3 288.435 3.253 20 0 CGADHO c1c2ccccc2sc1CN[C@H]1CCC[NH2+]CC1 ZINC000335249477 208023883 /nfs/dbraw/zinc/02/38/83/208023883.db2.gz GGFNRQVXCSDSJJ-ZDUSSCGKSA-N 1 3 260.406 3.133 20 0 CGADHO c1ccc2ncc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000335329911 208204186 /nfs/dbraw/zinc/20/41/86/208204186.db2.gz YIHMLVVEBWVULY-SFHVURJKSA-N 1 3 295.430 3.056 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765993 220314257 /nfs/dbraw/zinc/31/42/57/220314257.db2.gz FVRBILNOYBJMCW-DZGCQCFKSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765993 220314260 /nfs/dbraw/zinc/31/42/60/220314260.db2.gz FVRBILNOYBJMCW-DZGCQCFKSA-N 1 3 294.414 3.139 20 0 CGADHO Cc1cccc(CCC[NH2+]C2CCN(C(C)(C)C)CC2)n1 ZINC000353844970 220363533 /nfs/dbraw/zinc/36/35/33/220363533.db2.gz LNSUHWSELFTQJW-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO Cc1cccc(CCCNC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000353844970 220363535 /nfs/dbraw/zinc/36/35/35/220363535.db2.gz LNSUHWSELFTQJW-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000502415240 285149428 /nfs/dbraw/zinc/14/94/28/285149428.db2.gz LWFKMVDBXSJIQF-OKZBNKHCSA-N 1 3 296.499 3.149 20 0 CGADHO COc1ccc([C@H](CCC(C)C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423438630 533179158 /nfs/dbraw/zinc/17/91/58/533179158.db2.gz HCVJYRLVGROYJY-VBQJREDUSA-N 1 3 278.440 3.498 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348108666 542514875 /nfs/dbraw/zinc/51/48/75/542514875.db2.gz SHIURCKNIQAXBM-SJORKVTESA-N 1 3 258.409 3.026 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cc2ccccc2s1 ZINC000423321679 533411531 /nfs/dbraw/zinc/41/15/31/533411531.db2.gz NKVGRVBWJFXMLE-ZWNOBZJWSA-N 1 3 260.406 3.289 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000391120384 542612127 /nfs/dbraw/zinc/61/21/27/542612127.db2.gz AVOLIBDHUJFYPJ-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO NC1(C[NH2+]Cc2cccc(-c3ccccc3)c2)CCC1 ZINC000414876267 542639207 /nfs/dbraw/zinc/63/92/07/542639207.db2.gz DAWCAAIOLHNHIX-UHFFFAOYSA-N 1 3 266.388 3.325 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000071121943 392187989 /nfs/dbraw/zinc/18/79/89/392187989.db2.gz MLMRVICGAOKUKF-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096474215 392256788 /nfs/dbraw/zinc/25/67/88/392256788.db2.gz HUPDLWDNPKVMDY-ZIAGYGMSSA-N 1 3 267.376 3.274 20 0 CGADHO c1ccc2c(c1)nccc2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096474215 392256792 /nfs/dbraw/zinc/25/67/92/392256792.db2.gz HUPDLWDNPKVMDY-ZIAGYGMSSA-N 1 3 267.376 3.274 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2C[NH2+]C2CCNCC2)cc1 ZINC000423155812 285487876 /nfs/dbraw/zinc/48/78/76/285487876.db2.gz LTDJTLRBDWZPBC-WMZOPIPTSA-N 1 3 272.436 3.302 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000289150818 392414695 /nfs/dbraw/zinc/41/46/95/392414695.db2.gz GHEBPRFUTOBOMA-GLJUWKHASA-N 1 3 270.420 3.309 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150818 392414699 /nfs/dbraw/zinc/41/46/99/392414699.db2.gz GHEBPRFUTOBOMA-GLJUWKHASA-N 1 3 270.420 3.309 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000153800469 392529841 /nfs/dbraw/zinc/52/98/41/392529841.db2.gz PCYMSDVBVHJLJU-HNNXBMFYSA-N 1 3 296.430 3.061 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000153800469 392529845 /nfs/dbraw/zinc/52/98/45/392529845.db2.gz PCYMSDVBVHJLJU-HNNXBMFYSA-N 1 3 296.430 3.061 20 0 CGADHO Cc1cnccc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000296599287 392560944 /nfs/dbraw/zinc/56/09/44/392560944.db2.gz YHRYRCVOEFZCCF-HZPDHXFCSA-N 1 3 289.467 3.238 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647284568 392637327 /nfs/dbraw/zinc/63/73/27/392637327.db2.gz WIYSPEMVNRDQCE-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO Fc1ccc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000647515831 392748648 /nfs/dbraw/zinc/74/86/48/392748648.db2.gz SGWWITUMAZCNOF-CYBMUJFWSA-N 1 3 294.389 3.144 20 0 CGADHO C(CN1CCC[C@@H](C[C@@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000375244474 392752895 /nfs/dbraw/zinc/75/28/95/392752895.db2.gz GPHQLMVHDXEJDN-ROUUACIJSA-N 1 3 294.483 3.001 20 0 CGADHO Clc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647550976 392763975 /nfs/dbraw/zinc/76/39/75/392763975.db2.gz RBBZCKVCHVWCLE-ZKYQVNSYSA-N 1 3 299.245 3.471 20 0 CGADHO CC[C@H](C)Oc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000647552793 392765201 /nfs/dbraw/zinc/76/52/01/392765201.db2.gz XJPSHJZXRHMLOU-MJBXVCDLSA-N 1 3 294.439 3.088 20 0 CGADHO CCc1oc2ccccc2c1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000647552815 392765888 /nfs/dbraw/zinc/76/58/88/392765888.db2.gz YXAKKMSPOWEFRV-RYUDHWBXSA-N 1 3 260.381 3.211 20 0 CGADHO CSc1cccc(F)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796892 392800268 /nfs/dbraw/zinc/80/02/68/392800268.db2.gz QSUXKKXSMQKVHP-RWMBFGLXSA-N 1 3 294.439 3.025 20 0 CGADHO FC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000647803781 392804399 /nfs/dbraw/zinc/80/43/99/392804399.db2.gz BQCVVKKFYHVPTB-SWHNLWLKSA-N 1 3 282.447 3.415 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@H]2CC[NH2+]C2)c1C ZINC000647888029 392827108 /nfs/dbraw/zinc/82/71/08/392827108.db2.gz CYWPRYJNWVWCAO-DOTOQJQBSA-N 1 3 258.409 3.050 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904156 392829298 /nfs/dbraw/zinc/82/92/98/392829298.db2.gz XWCLZEKQIWGDLH-OALUTQOASA-N 1 3 286.463 3.392 20 0 CGADHO [NH3+]C1(CNCCCc2ccc(C(F)(F)F)cc2)CCC1 ZINC000647907567 392830956 /nfs/dbraw/zinc/83/09/56/392830956.db2.gz HFQGKDYFLCRGSM-UHFFFAOYSA-N 1 3 286.341 3.109 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513208144 392853920 /nfs/dbraw/zinc/85/39/20/392853920.db2.gz NIUISFGEEFEILV-NXHRZFHOSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000513208144 392853925 /nfs/dbraw/zinc/85/39/25/392853925.db2.gz NIUISFGEEFEILV-NXHRZFHOSA-N 1 3 296.499 3.170 20 0 CGADHO Cc1ccc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000211369702 392985284 /nfs/dbraw/zinc/98/52/84/392985284.db2.gz KYYIIOLJNQRBGN-UHFFFAOYSA-N 1 3 280.415 3.273 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414990105 393082909 /nfs/dbraw/zinc/08/29/09/393082909.db2.gz ORLDEXGXUJCCIT-SOUVJXGZSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414993780 393084679 /nfs/dbraw/zinc/08/46/79/393084679.db2.gz CQDGTQBAIMAAFM-AETAKHFUSA-N 1 3 290.426 3.297 20 0 CGADHO CC(C)(C)c1nc(CNC[C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000415002029 393087770 /nfs/dbraw/zinc/08/77/70/393087770.db2.gz VNKUDFQKTXTRBM-NEPJUHHUSA-N 1 3 281.469 3.048 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000346524498 393089453 /nfs/dbraw/zinc/08/94/53/393089453.db2.gz GHNVIENTBPQOQJ-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000414805789 393054161 /nfs/dbraw/zinc/05/41/61/393054161.db2.gz PSJSWDMGHDYFNL-DLBZAZTESA-N 1 3 260.425 3.070 20 0 CGADHO Fc1ccc(Cl)cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781470 393054619 /nfs/dbraw/zinc/05/46/19/393054619.db2.gz MYIVQVMXVNQPPG-QWHCGFSZSA-N 1 3 296.817 3.301 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414954435 393063596 /nfs/dbraw/zinc/06/35/96/393063596.db2.gz MWPUTMABIJNEEB-PQEBFOHHSA-N 1 3 258.409 3.053 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000246867749 393066527 /nfs/dbraw/zinc/06/65/27/393066527.db2.gz DGSBVPUSRSTWEF-HZPDHXFCSA-N 1 3 292.471 3.066 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000246867749 393066534 /nfs/dbraw/zinc/06/65/34/393066534.db2.gz DGSBVPUSRSTWEF-HZPDHXFCSA-N 1 3 292.471 3.066 20 0 CGADHO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCCN1CCCCC1 ZINC000348249337 393118641 /nfs/dbraw/zinc/11/86/41/393118641.db2.gz WPPKFIHLIQUWHF-STQMWFEESA-N 1 3 278.362 3.135 20 0 CGADHO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCN1CCCCC1 ZINC000348249337 393118643 /nfs/dbraw/zinc/11/86/43/393118643.db2.gz WPPKFIHLIQUWHF-STQMWFEESA-N 1 3 278.362 3.135 20 0 CGADHO C[C@@H](CN1C[C@@H](C)[C@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000415062921 393122417 /nfs/dbraw/zinc/12/24/17/393122417.db2.gz ZSDFCPRJLKTMIG-WOSRLPQWSA-N 1 3 280.843 3.360 20 0 CGADHO C[C@@H](C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1)c1cccc(Cl)c1 ZINC000415062921 393122421 /nfs/dbraw/zinc/12/24/21/393122421.db2.gz ZSDFCPRJLKTMIG-WOSRLPQWSA-N 1 3 280.843 3.360 20 0 CGADHO C[C@@H](C[N@H+]1C[C@@H](C)[C@](C)(CN)C1)c1cccc(Cl)c1 ZINC000415062921 393122423 /nfs/dbraw/zinc/12/24/23/393122423.db2.gz ZSDFCPRJLKTMIG-WOSRLPQWSA-N 1 3 280.843 3.360 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]CCCNC1CC1 ZINC000415067874 393125620 /nfs/dbraw/zinc/12/56/20/393125620.db2.gz LMTPPFJXNBCSMC-QGZVFWFLSA-N 1 3 260.425 3.130 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]CCCNC2CC2)c1 ZINC000415067667 393126818 /nfs/dbraw/zinc/12/68/18/393126818.db2.gz KTLNZSWABAGPHL-OAHLLOKOSA-N 1 3 260.425 3.048 20 0 CGADHO Clc1cc(Cl)cc(CCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000415082555 393135648 /nfs/dbraw/zinc/13/56/48/393135648.db2.gz LYBSYFQRLQLMHA-CQSZACIVSA-N 1 3 287.234 3.268 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)cc1C ZINC000262115692 393144759 /nfs/dbraw/zinc/14/47/59/393144759.db2.gz WWBLFDSBXPZZNY-QZTJIDSGSA-N 1 3 272.436 3.440 20 0 CGADHO C(=C/c1ccccc1)\CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351867 393403850 /nfs/dbraw/zinc/40/38/50/393403850.db2.gz DFABSKODNZTEJH-XBXARRHUSA-N 1 3 293.414 3.307 20 0 CGADHO CCN(CC)CCC[N@H+](CC)CC1(SC)CCC1 ZINC000356325936 393421522 /nfs/dbraw/zinc/42/15/22/393421522.db2.gz WTLVBOCVKDITCS-UHFFFAOYSA-N 1 3 272.502 3.326 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)CC1(SC)CCC1 ZINC000356325936 393421525 /nfs/dbraw/zinc/42/15/25/393421525.db2.gz WTLVBOCVKDITCS-UHFFFAOYSA-N 1 3 272.502 3.326 20 0 CGADHO CCN(CCC[NH+](CC)CC)CC1(SC)CCC1 ZINC000356325936 393421527 /nfs/dbraw/zinc/42/15/27/393421527.db2.gz WTLVBOCVKDITCS-UHFFFAOYSA-N 1 3 272.502 3.326 20 0 CGADHO c1ccc(SCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420388002 393480269 /nfs/dbraw/zinc/48/02/69/393480269.db2.gz GVDHSOIIQQOYSD-RDJZCZTQSA-N 1 3 290.476 3.243 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000488296556 393481401 /nfs/dbraw/zinc/48/14/01/393481401.db2.gz JTNWNXQYMKPDAC-LTIDMASMSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000488296556 393481406 /nfs/dbraw/zinc/48/14/06/393481406.db2.gz JTNWNXQYMKPDAC-LTIDMASMSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000488296556 393481410 /nfs/dbraw/zinc/48/14/10/393481410.db2.gz JTNWNXQYMKPDAC-LTIDMASMSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000488296556 393481414 /nfs/dbraw/zinc/48/14/14/393481414.db2.gz JTNWNXQYMKPDAC-LTIDMASMSA-N 1 3 264.457 3.229 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420268601 393445901 /nfs/dbraw/zinc/44/59/01/393445901.db2.gz XHNQTZOCMLCYHB-HZPDHXFCSA-N 1 3 295.430 3.233 20 0 CGADHO CC[C@](C)(NCC[C@@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000420309297 393459697 /nfs/dbraw/zinc/45/96/97/393459697.db2.gz DWBGGCUIVVOFLS-ZFWWWQNUSA-N 1 3 281.469 3.056 20 0 CGADHO C[NH2+]CCC1CCN(CCCCC(F)(F)F)CC1 ZINC000420312254 393461233 /nfs/dbraw/zinc/46/12/33/393461233.db2.gz SBFWPJXBVPJATB-UHFFFAOYSA-N 1 3 266.351 3.041 20 0 CGADHO Fc1ccccc1CN(CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420325651 393467845 /nfs/dbraw/zinc/46/78/45/393467845.db2.gz WKSUGBKQKNSOHL-CQSZACIVSA-N 1 3 276.399 3.180 20 0 CGADHO CC[C@@H](OCC[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000649530718 393468597 /nfs/dbraw/zinc/46/85/97/393468597.db2.gz GDXYGZRQNQCKLE-SJLPKXTDSA-N 1 3 290.451 3.038 20 0 CGADHO CC[C@@H](OCC[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000649530718 393468604 /nfs/dbraw/zinc/46/86/04/393468604.db2.gz GDXYGZRQNQCKLE-SJLPKXTDSA-N 1 3 290.451 3.038 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)CCC1 ZINC000429523503 393473369 /nfs/dbraw/zinc/47/33/69/393473369.db2.gz SFIIXHXCINABQX-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO C[NH+](C)Cc1cccc(-c2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000629706254 542783197 /nfs/dbraw/zinc/78/31/97/542783197.db2.gz HQUXXHXEDIBLHL-IBGZPJMESA-N 1 3 296.414 3.076 20 0 CGADHO C[C@@H](NCCc1ccc(C2CCCCC2)cc1)C1C[NH2+]C1 ZINC000665235837 542799530 /nfs/dbraw/zinc/79/95/30/542799530.db2.gz ATCNOAZNJDYUOR-OAHLLOKOSA-N 1 3 286.463 3.474 20 0 CGADHO C[C@@H]([NH2+]CCc1ccc(C2CCCCC2)cc1)C1CNC1 ZINC000665235837 542799535 /nfs/dbraw/zinc/79/95/35/542799535.db2.gz ATCNOAZNJDYUOR-OAHLLOKOSA-N 1 3 286.463 3.474 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)c1cccc(Cl)c1 ZINC000666857631 542821498 /nfs/dbraw/zinc/82/14/98/542821498.db2.gz BSZFKISCVVVVQF-SWLSCSKDSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000666857631 542821501 /nfs/dbraw/zinc/82/15/01/542821501.db2.gz BSZFKISCVVVVQF-SWLSCSKDSA-N 1 3 266.816 3.175 20 0 CGADHO CSc1ccccc1C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000666857641 542821557 /nfs/dbraw/zinc/82/15/57/542821557.db2.gz CLOUHBYWQKNXSZ-UKRRQHHQSA-N 1 3 278.465 3.071 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000666857641 542821561 /nfs/dbraw/zinc/82/15/61/542821561.db2.gz CLOUHBYWQKNXSZ-UKRRQHHQSA-N 1 3 278.465 3.071 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000666858961 542821634 /nfs/dbraw/zinc/82/16/34/542821634.db2.gz ODQOJWKDXDXIOZ-SQNIBIBYSA-N 1 3 272.436 3.229 20 0 CGADHO CCc1cnccc1[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000361133069 393680018 /nfs/dbraw/zinc/68/00/18/393680018.db2.gz UQUDBMYNMYKODX-ZBFHGGJFSA-N 1 3 275.440 3.169 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC[C@H]3C)CC2)C1 ZINC000432418967 393611864 /nfs/dbraw/zinc/61/18/64/393611864.db2.gz XUICHZUQIVAOTF-XYVMCAHJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]([NH2+]CCCCF)c1cccc(OCCN(C)C)c1 ZINC000361002158 393635350 /nfs/dbraw/zinc/63/53/50/393635350.db2.gz IFJFHMAGHXNYAA-CQSZACIVSA-N 1 3 282.403 3.027 20 0 CGADHO C[C@@H](NCCc1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422731497 393640445 /nfs/dbraw/zinc/64/04/45/393640445.db2.gz HEBAJTPHQCSABN-GHMZBOCLSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@H](N[C@@H](c1ccccc1)C1CCCC1)C1C[NH2+]C1 ZINC000422788620 393641902 /nfs/dbraw/zinc/64/19/02/393641902.db2.gz SMWUWMXBBJGCAL-GUYCJALGSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)C1CNC1 ZINC000422788620 393641911 /nfs/dbraw/zinc/64/19/11/393641911.db2.gz SMWUWMXBBJGCAL-GUYCJALGSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422808070 393644276 /nfs/dbraw/zinc/64/42/76/393644276.db2.gz QBHFOWMQLPZWDM-HFTRVMKXSA-N 1 3 272.436 3.084 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422814708 393644786 /nfs/dbraw/zinc/64/47/86/393644786.db2.gz VYJIJDXLMJMODD-NVXWUHKLSA-N 1 3 272.436 3.215 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000422894477 393645914 /nfs/dbraw/zinc/64/59/14/393645914.db2.gz CKFGLEWMIREGGH-DIECFANBSA-N 1 3 260.425 3.428 20 0 CGADHO CCn1c2ccccc2nc1[C@H](C)N[C@H](C)CCCC[NH3+] ZINC000422912221 393646451 /nfs/dbraw/zinc/64/64/51/393646451.db2.gz MSEDDPIRDFZLRM-KGLIPLIRSA-N 1 3 288.439 3.224 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423030286 393648975 /nfs/dbraw/zinc/64/89/75/393648975.db2.gz VZWZIYLICPDOGM-QGPMSJSTSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)CCC2 ZINC000423030286 393648979 /nfs/dbraw/zinc/64/89/79/393648979.db2.gz VZWZIYLICPDOGM-QGPMSJSTSA-N 1 3 272.436 3.350 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCC23CCCC3)c2ccccc21 ZINC000423074623 393650420 /nfs/dbraw/zinc/65/04/20/393650420.db2.gz MJRJTEBUPMYCLV-BZUAXINKSA-N 1 3 256.393 3.444 20 0 CGADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)c1ccc(C(F)(F)F)cc1 ZINC000423062924 393650777 /nfs/dbraw/zinc/65/07/77/393650777.db2.gz VFGYQXRVIXUWSQ-WDEREUQCSA-N 1 3 286.341 3.006 20 0 CGADHO C[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423062924 393650782 /nfs/dbraw/zinc/65/07/82/393650782.db2.gz VFGYQXRVIXUWSQ-WDEREUQCSA-N 1 3 286.341 3.006 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)C1CNC1 ZINC000423194127 393653264 /nfs/dbraw/zinc/65/32/64/393653264.db2.gz WNGTXPFSCCABTB-KMCQBPLKSA-N 1 3 272.436 3.156 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423363293 393663561 /nfs/dbraw/zinc/66/35/61/393663561.db2.gz BRXFJYDIXCVEAG-RLFYNMQTSA-N 1 3 290.451 3.370 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423440712 393667814 /nfs/dbraw/zinc/66/78/14/393667814.db2.gz AWUQMODXXZQNGG-TZMCWYRMSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423451369 393667830 /nfs/dbraw/zinc/66/78/30/393667830.db2.gz UUMXMPMHIYLIDQ-PKFCDNJMSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@H]([NH3+])[C@H](C)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423459112 393668541 /nfs/dbraw/zinc/66/85/41/393668541.db2.gz HQOZXZXUMSWRSE-AJBSGBCOSA-N 1 3 272.845 3.219 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423463137 393669490 /nfs/dbraw/zinc/66/94/90/393669490.db2.gz LCWWBRMOUHBCMZ-PKFCDNJMSA-N 1 3 297.240 3.152 20 0 CGADHO Clc1cccc(CN[C@H]2CC23CC[NH2+]CC3)c1Cl ZINC000666950880 542828394 /nfs/dbraw/zinc/82/83/94/542828394.db2.gz OTCAAXIDELDFEH-LBPRGKRZSA-N 1 3 285.218 3.225 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995274 542832347 /nfs/dbraw/zinc/83/23/47/542832347.db2.gz JEZACYGXULZATB-YQQAZPJKSA-N 1 3 272.436 3.443 20 0 CGADHO CCCCN1CCC([NH2+][C@H](CC)c2ccncc2)CC1 ZINC000453096321 394169712 /nfs/dbraw/zinc/16/97/12/394169712.db2.gz ZENZCOLQEMTCDK-QGZVFWFLSA-N 1 3 275.440 3.387 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453103936 394172779 /nfs/dbraw/zinc/17/27/79/394172779.db2.gz YEOMNZMXBDWQHX-AEFFLSMTSA-N 1 3 289.467 3.114 20 0 CGADHO Cc1cccc2[nH]c(C[N@@H+](C)C[C@H]3CCCN(C)C3)cc21 ZINC000667517713 542882849 /nfs/dbraw/zinc/88/28/49/542882849.db2.gz CLERUSBEKGCRKT-HNNXBMFYSA-N 1 3 285.435 3.250 20 0 CGADHO Cc1cccc2[nH]c(C[N@H+](C)C[C@H]3CCCN(C)C3)cc21 ZINC000667517713 542882852 /nfs/dbraw/zinc/88/28/52/542882852.db2.gz CLERUSBEKGCRKT-HNNXBMFYSA-N 1 3 285.435 3.250 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912173 542944623 /nfs/dbraw/zinc/94/46/23/542944623.db2.gz ACEZGDDTHNRLMI-NCOADZHNSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668786 543041097 /nfs/dbraw/zinc/04/10/97/543041097.db2.gz CRVHXADAIRCKPF-MWIANEHASA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668786 543041101 /nfs/dbraw/zinc/04/11/01/543041101.db2.gz CRVHXADAIRCKPF-MWIANEHASA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000668818173 543065882 /nfs/dbraw/zinc/06/58/82/543065882.db2.gz FRGNQVWAPOQULU-HOCLYGCPSA-N 1 3 266.473 3.380 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265173 543148284 /nfs/dbraw/zinc/14/82/84/543148284.db2.gz VMOIYDWSDLTOPL-ZBFHGGJFSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265173 543148286 /nfs/dbraw/zinc/14/82/86/543148286.db2.gz VMOIYDWSDLTOPL-ZBFHGGJFSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C(C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)C(C)C ZINC000671306612 543168253 /nfs/dbraw/zinc/16/82/53/543168253.db2.gz SAAYSHFJBYAACS-NVXWUHKLSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C(C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)C(C)C ZINC000671306612 543168256 /nfs/dbraw/zinc/16/82/56/543168256.db2.gz SAAYSHFJBYAACS-NVXWUHKLSA-N 1 3 266.473 3.331 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408280 397608354 /nfs/dbraw/zinc/60/83/54/397608354.db2.gz XZBUBGXDVUQEOL-INIZCTEOSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](N)C1 ZINC000041027691 397610917 /nfs/dbraw/zinc/61/09/17/397610917.db2.gz PNTPXZZIXQNRDM-ZFWWWQNUSA-N 1 3 254.377 3.324 20 0 CGADHO C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](N)C1 ZINC000041027691 397610918 /nfs/dbraw/zinc/61/09/18/397610918.db2.gz PNTPXZZIXQNRDM-ZFWWWQNUSA-N 1 3 254.377 3.324 20 0 CGADHO CC[C@@H]1CN(Cc2ccc(OC)c3ccccc23)CC[C@H]1[NH3+] ZINC000387515896 397690299 /nfs/dbraw/zinc/69/02/99/397690299.db2.gz OVJNUUUDAUHQGX-RDTXWAMCSA-N 1 3 298.430 3.408 20 0 CGADHO c1cc2c(c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702892 397897778 /nfs/dbraw/zinc/89/77/78/397897778.db2.gz ZRWDVTPBUQGNDG-MJGOQNOKSA-N 1 3 284.447 3.139 20 0 CGADHO CC[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000650709309 397898030 /nfs/dbraw/zinc/89/80/30/397898030.db2.gz QEJHFZFBKHQKBG-SZMVWBNQSA-N 1 3 272.436 3.241 20 0 CGADHO CC[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000650709309 397898031 /nfs/dbraw/zinc/89/80/31/397898031.db2.gz QEJHFZFBKHQKBG-SZMVWBNQSA-N 1 3 272.436 3.241 20 0 CGADHO COCC[NH2+]C1CCN(C[C@H](C)CC2CCCCC2)CC1 ZINC000650704675 397898406 /nfs/dbraw/zinc/89/84/06/397898406.db2.gz QRWQOLCUXYKWIZ-MRXNPFEDSA-N 1 3 296.499 3.293 20 0 CGADHO C[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000650711569 397899088 /nfs/dbraw/zinc/89/90/88/397899088.db2.gz XOGOAGUFZHVFRI-QODHUSCHSA-N 1 3 276.399 3.288 20 0 CGADHO [NH3+]CC1(CCNCc2cc(Cl)ccc2Cl)CC1 ZINC000650712357 397899629 /nfs/dbraw/zinc/89/96/29/397899629.db2.gz BKGYKZWNIFFGRQ-UHFFFAOYSA-N 1 3 273.207 3.212 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000650715357 397899953 /nfs/dbraw/zinc/89/99/53/397899953.db2.gz ZGGQBGKGZUZIIU-NXWXRZEISA-N 1 3 284.447 3.493 20 0 CGADHO CC[C@@H](OCC[NH2+][C@@H](C)[C@@H]1CCCCN1)c1ccccc1 ZINC000650742180 397905011 /nfs/dbraw/zinc/90/50/11/397905011.db2.gz SINOBCWFLJOGTE-RYQLBKOJSA-N 1 3 290.451 3.275 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650742319 397905155 /nfs/dbraw/zinc/90/51/55/397905155.db2.gz VWDDYHGKUAMNNW-AALSBFMBSA-N 1 3 264.457 3.321 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](c1cncc(F)c1)C1CC1 ZINC000650756604 397910271 /nfs/dbraw/zinc/91/02/71/397910271.db2.gz FUQWMKZHSDWQDT-SFHVURJKSA-N 1 3 299.393 3.181 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000650760260 397911040 /nfs/dbraw/zinc/91/10/40/397911040.db2.gz ZHBULMMSWQHYRW-ZDUSSCGKSA-N 1 3 272.367 3.396 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675752227 543360791 /nfs/dbraw/zinc/36/07/91/543360791.db2.gz OBTKARBVFHWXMQ-RBSFLKMASA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752227 543360793 /nfs/dbraw/zinc/36/07/93/543360793.db2.gz OBTKARBVFHWXMQ-RBSFLKMASA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000675752227 543360795 /nfs/dbraw/zinc/36/07/95/543360795.db2.gz OBTKARBVFHWXMQ-RBSFLKMASA-N 1 3 278.465 3.286 20 0 CGADHO C([NH2+]C1CCN(C2CCCC2)CC1)C1CCSCC1 ZINC000675878950 543369591 /nfs/dbraw/zinc/36/95/91/543369591.db2.gz GIYCLEDRDAZCNI-UHFFFAOYSA-N 1 3 282.497 3.126 20 0 CGADHO CC(C)(C)CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240780 543441506 /nfs/dbraw/zinc/44/15/06/543441506.db2.gz KMWDTIKCSDGTFH-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240780 543441507 /nfs/dbraw/zinc/44/15/07/543441507.db2.gz KMWDTIKCSDGTFH-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000677240780 543441509 /nfs/dbraw/zinc/44/15/09/543441509.db2.gz KMWDTIKCSDGTFH-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678265536 543504412 /nfs/dbraw/zinc/50/44/12/543504412.db2.gz VPRURMOKDNUYTP-MRXNPFEDSA-N 1 3 290.451 3.392 20 0 CGADHO C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678265536 543504415 /nfs/dbraw/zinc/50/44/15/543504415.db2.gz VPRURMOKDNUYTP-MRXNPFEDSA-N 1 3 290.451 3.392 20 0 CGADHO CCOCCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCCC1 ZINC000422886816 286049949 /nfs/dbraw/zinc/04/99/49/286049949.db2.gz JRULIZSUBKFFNT-HOTGVXAUSA-N 1 3 282.472 3.081 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(C)n1 ZINC000678425185 543524787 /nfs/dbraw/zinc/52/47/87/543524787.db2.gz VUYLLXRBHRVHFM-WBVHZDCISA-N 1 3 289.467 3.469 20 0 CGADHO Cc1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423220991 292205637 /nfs/dbraw/zinc/20/56/37/292205637.db2.gz YZOFMQKMJIKBAS-YJBOKZPZSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@H]2CCCNC2)C2CCC2)cc1 ZINC000423220991 292205639 /nfs/dbraw/zinc/20/56/39/292205639.db2.gz YZOFMQKMJIKBAS-YJBOKZPZSA-N 1 3 272.436 3.425 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423279243 286386655 /nfs/dbraw/zinc/38/66/55/286386655.db2.gz RXLBQGJHDHEPJX-VUCTXSBTSA-N 1 3 288.435 3.135 20 0 CGADHO Cc1csc(C2(N[C@H](C)C3CC[NH+](C)CC3)CCC2)n1 ZINC000679023569 543584021 /nfs/dbraw/zinc/58/40/21/543584021.db2.gz RNNIBSZWWMPMLA-CYBMUJFWSA-N 1 3 293.480 3.151 20 0 CGADHO C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)CN1CCCC1 ZINC000252206266 286879096 /nfs/dbraw/zinc/87/90/96/286879096.db2.gz XEVBHHSDAWKWPL-XUWVNRHRSA-N 1 3 252.446 3.133 20 0 CGADHO CCC1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000057994385 286951362 /nfs/dbraw/zinc/95/13/62/286951362.db2.gz YXSGUMKHSCBNML-QQFBHYJXSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000248393245 287046842 /nfs/dbraw/zinc/04/68/42/287046842.db2.gz DRXFTILOEKGRHW-LZWOXQAQSA-N 1 3 264.457 3.418 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000089147514 165199818 /nfs/dbraw/zinc/19/98/18/165199818.db2.gz ODXXEABSMFKXOG-FZMZJTMJSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccc(Cl)cc1Cl ZINC000089147514 165199821 /nfs/dbraw/zinc/19/98/21/165199821.db2.gz ODXXEABSMFKXOG-FZMZJTMJSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cc2ccccc2o1 ZINC000089149066 165199922 /nfs/dbraw/zinc/19/99/22/165199922.db2.gz HPMGKAXHIHRBCI-IACUBPJLSA-N 1 3 258.365 3.211 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000089148247 165199957 /nfs/dbraw/zinc/19/99/57/165199957.db2.gz AIYRIRSJAXVKRZ-FPQWYMTMSA-N 1 3 272.436 3.430 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(Br)c1 ZINC000089145649 165201085 /nfs/dbraw/zinc/20/10/85/165201085.db2.gz SQALSUWASHPJPR-GXTWGEPZSA-N 1 3 297.240 3.056 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(Br)c1 ZINC000089145648 165201278 /nfs/dbraw/zinc/20/12/78/165201278.db2.gz SQALSUWASHPJPR-OCCSQVGLSA-N 1 3 297.240 3.056 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000089146239 165201357 /nfs/dbraw/zinc/20/13/57/165201357.db2.gz VFEGDSANERPJIQ-SMDDNHRTSA-N 1 3 286.341 3.313 20 0 CGADHO Cc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000092346010 165289736 /nfs/dbraw/zinc/28/97/36/165289736.db2.gz XLHCFWZRPDSLMP-HUUCEWRRSA-N 1 3 283.419 3.102 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)N1CCC(OCCC[NH3+])CC1 ZINC000094070096 165342652 /nfs/dbraw/zinc/34/26/52/165342652.db2.gz JPQGAFACVCWLBQ-ZDUSSCGKSA-N 1 3 296.842 3.231 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000094522165 165353269 /nfs/dbraw/zinc/35/32/69/165353269.db2.gz MWPVAGNCZMTLJW-SUMWQHHRSA-N 1 3 258.409 3.123 20 0 CGADHO Cc1ccc(SCC[N@H+]2CC[C@H](CN(C)C)C2)cc1C ZINC000114478824 287151383 /nfs/dbraw/zinc/15/13/83/287151383.db2.gz YBTYCWKOUGSFGE-MRXNPFEDSA-N 1 3 292.492 3.279 20 0 CGADHO Cc1ccc(SCC[N@@H+]2CC[C@H](CN(C)C)C2)cc1C ZINC000114478824 287151385 /nfs/dbraw/zinc/15/13/85/287151385.db2.gz YBTYCWKOUGSFGE-MRXNPFEDSA-N 1 3 292.492 3.279 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]CCCN(CC)CC ZINC000116381903 287157352 /nfs/dbraw/zinc/15/73/52/287157352.db2.gz ACPFIVIBEYPKIJ-QGZVFWFLSA-N 1 3 262.441 3.329 20 0 CGADHO CSc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000020128877 171016376 /nfs/dbraw/zinc/01/63/76/171016376.db2.gz QVHBWRRMUVMBHM-UHFFFAOYSA-N 1 3 278.465 3.374 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000020190069 171056852 /nfs/dbraw/zinc/05/68/52/171056852.db2.gz UCGRMKCQHZSOOE-UHFFFAOYSA-N 1 3 272.845 3.366 20 0 CGADHO C[C@@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)CN1CCCC1 ZINC000126568044 287267856 /nfs/dbraw/zinc/26/78/56/287267856.db2.gz KTDZFHADENBHNS-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H](CN[C@H]1Cc2ccc(Cl)cc2C1)C[NH+]1CCCC1 ZINC000126568044 287267857 /nfs/dbraw/zinc/26/78/57/287267857.db2.gz KTDZFHADENBHNS-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000365881685 287275312 /nfs/dbraw/zinc/27/53/12/287275312.db2.gz MJFVJHOZEKVUGC-IXDOHACOSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000365881685 287275314 /nfs/dbraw/zinc/27/53/14/287275314.db2.gz MJFVJHOZEKVUGC-IXDOHACOSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000365881685 287275315 /nfs/dbraw/zinc/27/53/15/287275315.db2.gz MJFVJHOZEKVUGC-IXDOHACOSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000365881685 287275317 /nfs/dbraw/zinc/27/53/17/287275317.db2.gz MJFVJHOZEKVUGC-IXDOHACOSA-N 1 3 296.524 3.326 20 0 CGADHO CC(C)=CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000037187724 173018518 /nfs/dbraw/zinc/01/85/18/173018518.db2.gz VWFXVGFSHKYDFT-UHFFFAOYSA-N 1 3 258.409 3.207 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037267161 173077966 /nfs/dbraw/zinc/07/79/66/173077966.db2.gz MEYHWVWHKNKHIE-NSHDSACASA-N 1 3 297.240 3.194 20 0 CGADHO c1c2ccccc2oc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037408363 173184462 /nfs/dbraw/zinc/18/44/62/173184462.db2.gz MMOSYTPNIIFUAV-CYBMUJFWSA-N 1 3 270.376 3.007 20 0 CGADHO CC(C)Oc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000040640581 174364567 /nfs/dbraw/zinc/36/45/67/174364567.db2.gz JDKCBOJQQBWKMJ-MRXNPFEDSA-N 1 3 288.435 3.048 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCOC2(C)C)CC1 ZINC000449417653 287311398 /nfs/dbraw/zinc/31/13/98/287311398.db2.gz ZQLZPSSUWKILKV-OIISXLGYSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000449417653 287311399 /nfs/dbraw/zinc/31/13/99/287311399.db2.gz ZQLZPSSUWKILKV-OIISXLGYSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1oncc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000129375278 287329826 /nfs/dbraw/zinc/32/98/26/287329826.db2.gz RKHVJJYZFAMPOS-UHFFFAOYSA-N 1 3 291.439 3.071 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000315061937 416538252 /nfs/dbraw/zinc/53/82/52/416538252.db2.gz ZYYVSBGNYJTAQJ-HYVNUMGLSA-N 1 3 280.415 3.442 20 0 CGADHO C[C@@H]1CCCN(Cc2cc3ccccc3o2)[C@H]1CC[NH3+] ZINC000404283308 416552574 /nfs/dbraw/zinc/55/25/74/416552574.db2.gz QVBBOVJWWXKUNR-CJNGLKHVSA-N 1 3 272.392 3.382 20 0 CGADHO Cc1ccsc1C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404422807 416554068 /nfs/dbraw/zinc/55/40/68/416554068.db2.gz JPGMTKLBZKQTQM-YPMHNXCESA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404422807 416554071 /nfs/dbraw/zinc/55/40/71/416554071.db2.gz JPGMTKLBZKQTQM-YPMHNXCESA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404422807 416554075 /nfs/dbraw/zinc/55/40/75/416554075.db2.gz JPGMTKLBZKQTQM-YPMHNXCESA-N 1 3 252.427 3.006 20 0 CGADHO CC[C@H]1CN(Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000134094795 416516787 /nfs/dbraw/zinc/51/67/87/416516787.db2.gz MOVAJHWARFJCDX-KSSFIOAISA-N 1 3 268.404 3.399 20 0 CGADHO c1cc(CNC2CSC2)cc(C[NH+]2CCCCCC2)c1 ZINC000679626036 543650725 /nfs/dbraw/zinc/65/07/25/543650725.db2.gz NYNNRYKGVJQVFO-UHFFFAOYSA-N 1 3 290.476 3.268 20 0 CGADHO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC[C@H]1CCCN1C ZINC000679540691 543644204 /nfs/dbraw/zinc/64/42/04/543644204.db2.gz ODIZBATZHMPVJU-FRRDWIJNSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC[C@H]1CCCN1C ZINC000679540691 543644205 /nfs/dbraw/zinc/64/42/05/543644205.db2.gz ODIZBATZHMPVJU-FRRDWIJNSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401016 543708629 /nfs/dbraw/zinc/70/86/29/543708629.db2.gz ANUKUVAQHXQANC-HZPDHXFCSA-N 1 3 296.499 3.434 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078241 543823822 /nfs/dbraw/zinc/82/38/22/543823822.db2.gz WELSQXJKFDZYBL-BPQIPLTHSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078241 543823825 /nfs/dbraw/zinc/82/38/25/543823825.db2.gz WELSQXJKFDZYBL-BPQIPLTHSA-N 1 3 270.420 3.090 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000685838060 544099950 /nfs/dbraw/zinc/09/99/50/544099950.db2.gz AMMPXODDXROTIW-MRXNPFEDSA-N 1 3 286.463 3.065 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685838060 544099952 /nfs/dbraw/zinc/09/99/52/544099952.db2.gz AMMPXODDXROTIW-MRXNPFEDSA-N 1 3 286.463 3.065 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000685838060 544099955 /nfs/dbraw/zinc/09/99/55/544099955.db2.gz AMMPXODDXROTIW-MRXNPFEDSA-N 1 3 286.463 3.065 20 0 CGADHO CC[C@H](OCCN[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000650741406 418936164 /nfs/dbraw/zinc/93/61/64/418936164.db2.gz CVJFQGDLNYLMGK-JQHSSLGASA-N 1 3 290.451 3.132 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000650741376 418936430 /nfs/dbraw/zinc/93/64/30/418936430.db2.gz CHLRRTFDUWFNIP-QSPRXWTASA-N 1 3 274.452 3.359 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232883 419087562 /nfs/dbraw/zinc/08/75/62/419087562.db2.gz WWTPKUGISHFXRY-MXSMSXNCSA-N 1 3 287.451 3.086 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc2occc2c1 ZINC000665238492 419088596 /nfs/dbraw/zinc/08/85/96/419088596.db2.gz ZNDGCAGEOYJDLA-GJZGRUSLSA-N 1 3 258.365 3.040 20 0 CGADHO [NH3+]C1(CN[C@@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC000665247669 419090683 /nfs/dbraw/zinc/09/06/83/419090683.db2.gz HPTAEAGRSOUTDI-HZPDHXFCSA-N 1 3 258.409 3.184 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCCC1)c1cc2c(s1)CCC2 ZINC000665248472 419092067 /nfs/dbraw/zinc/09/20/67/419092067.db2.gz XPHCMKFTKJRZCN-NSHDSACASA-N 1 3 264.438 3.159 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665248986 419092322 /nfs/dbraw/zinc/09/23/22/419092322.db2.gz HKCFAJBYCOUDBD-GFCCVEGCSA-N 1 3 264.438 3.331 20 0 CGADHO C[C@@H](CCc1ccco1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665249910 419092846 /nfs/dbraw/zinc/09/28/46/419092846.db2.gz AYGRVXAHYAOWNN-KFKAGJAMSA-N 1 3 298.430 3.336 20 0 CGADHO CCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257169 419095712 /nfs/dbraw/zinc/09/57/12/419095712.db2.gz BHNAHALBJVMDDB-DAXOMENPSA-N 1 3 264.388 3.049 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273820 419097720 /nfs/dbraw/zinc/09/77/20/419097720.db2.gz DUQIACGUGOQRBA-NELGMTEASA-N 1 3 272.383 3.062 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000655803727 419100522 /nfs/dbraw/zinc/10/05/22/419100522.db2.gz XEMKSOPWAXTWTL-SCDSUCTJSA-N 1 3 296.817 3.396 20 0 CGADHO Clc1ccc([C@H]2CC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279561 419101641 /nfs/dbraw/zinc/10/16/41/419101641.db2.gz GCPDKMMEIXCAOC-QBHHXUBYSA-N 1 3 290.838 3.318 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000665280491 419102159 /nfs/dbraw/zinc/10/21/59/419102159.db2.gz DPHNTITWJBJMKI-JQHSSLGASA-N 1 3 290.451 3.117 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000665280486 419102178 /nfs/dbraw/zinc/10/21/78/419102178.db2.gz DAPIFCKTXOCBKH-GRDNDAEWSA-N 1 3 278.440 3.150 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280486 419102182 /nfs/dbraw/zinc/10/21/82/419102182.db2.gz DAPIFCKTXOCBKH-GRDNDAEWSA-N 1 3 278.440 3.150 20 0 CGADHO c1coc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665282967 419103422 /nfs/dbraw/zinc/10/34/22/419103422.db2.gz FMFZHOZMWNBLSO-BRWVUGGUSA-N 1 3 276.424 3.113 20 0 CGADHO c1coc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)c1 ZINC000665282967 419103426 /nfs/dbraw/zinc/10/34/26/419103426.db2.gz FMFZHOZMWNBLSO-BRWVUGGUSA-N 1 3 276.424 3.113 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1cccc(F)c1 ZINC000665282336 419103456 /nfs/dbraw/zinc/10/34/56/419103456.db2.gz VYSQMQCTQMTQBU-CABCVRRESA-N 1 3 252.377 3.240 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2csc(Cl)c2Cl)C1 ZINC000655825161 419109933 /nfs/dbraw/zinc/10/99/33/419109933.db2.gz YSTSJKHDKTXTCP-WAAGHKOSSA-N 1 3 293.263 3.485 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000659977398 419050860 /nfs/dbraw/zinc/05/08/60/419050860.db2.gz XRJVCFCJWOENSC-UONOGXRCSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000659977398 419050864 /nfs/dbraw/zinc/05/08/64/419050864.db2.gz XRJVCFCJWOENSC-UONOGXRCSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000659977398 419050867 /nfs/dbraw/zinc/05/08/67/419050867.db2.gz XRJVCFCJWOENSC-UONOGXRCSA-N 1 3 276.415 3.332 20 0 CGADHO CC(C)[NH2+]C1CCN(CCC(C)(C)C2CC2)CC1 ZINC000653578266 419053941 /nfs/dbraw/zinc/05/39/41/419053941.db2.gz BAYUYDZHBUVKHD-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000656198796 419148815 /nfs/dbraw/zinc/14/88/15/419148815.db2.gz UPGQTNCDZSKKJQ-HZPDHXFCSA-N 1 3 276.424 3.143 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000656196895 419149145 /nfs/dbraw/zinc/14/91/45/419149145.db2.gz SJIQUJIGFBVOGT-UONOGXRCSA-N 1 3 291.826 3.223 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197432 419149214 /nfs/dbraw/zinc/14/92/14/419149214.db2.gz IYQBEMPUHCQLTA-DLBZAZTESA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197432 419149216 /nfs/dbraw/zinc/14/92/16/419149216.db2.gz IYQBEMPUHCQLTA-DLBZAZTESA-N 1 3 290.426 3.497 20 0 CGADHO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660654488 419175831 /nfs/dbraw/zinc/17/58/31/419175831.db2.gz GMDGDEUZOHETNY-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660654488 419175833 /nfs/dbraw/zinc/17/58/33/419175833.db2.gz GMDGDEUZOHETNY-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659091 419177038 /nfs/dbraw/zinc/17/70/38/419177038.db2.gz MTZKQBOEHPYNOZ-AEFFLSMTSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659091 419177040 /nfs/dbraw/zinc/17/70/40/419177040.db2.gz MTZKQBOEHPYNOZ-AEFFLSMTSA-N 1 3 272.436 3.474 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661770 419179028 /nfs/dbraw/zinc/17/90/28/419179028.db2.gz GHCIJHUMNXUXMV-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661770 419179031 /nfs/dbraw/zinc/17/90/31/419179031.db2.gz GHCIJHUMNXUXMV-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CC[C@H]1C[C@H](NCc2ccccc2C[NH+](CC)CC)CO1 ZINC000657298998 419246061 /nfs/dbraw/zinc/24/60/61/419246061.db2.gz ZAFWFFRTJKRGRE-ROUUACIJSA-N 1 3 290.451 3.186 20 0 CGADHO CC[N@H+](Cc1cccc2c1CCNC2)[C@H](C)C(C)C ZINC000662255657 419372125 /nfs/dbraw/zinc/37/21/25/419372125.db2.gz ZVSAGDCXILMGTI-CQSZACIVSA-N 1 3 260.425 3.199 20 0 CGADHO CC[N@@H+](Cc1cccc2c1CCNC2)[C@H](C)C(C)C ZINC000662255657 419372130 /nfs/dbraw/zinc/37/21/30/419372130.db2.gz ZVSAGDCXILMGTI-CQSZACIVSA-N 1 3 260.425 3.199 20 0 CGADHO c1cc(C[N@H+](C2CC2)C2CCCC2)c2c(c1)CNCC2 ZINC000662250318 419374121 /nfs/dbraw/zinc/37/41/21/419374121.db2.gz FMJOAEQWNTZXRO-UHFFFAOYSA-N 1 3 270.420 3.239 20 0 CGADHO c1cc(C[N@@H+](C2CC2)C2CCCC2)c2c(c1)CNCC2 ZINC000662250318 419374125 /nfs/dbraw/zinc/37/41/25/419374125.db2.gz FMJOAEQWNTZXRO-UHFFFAOYSA-N 1 3 270.420 3.239 20 0 CGADHO c1ccc([C@@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)nc1 ZINC000662260454 419375909 /nfs/dbraw/zinc/37/59/09/419375909.db2.gz LTHYIUUNOHWBML-IBGZPJMESA-N 1 3 293.414 3.064 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657838630 419382151 /nfs/dbraw/zinc/38/21/51/419382151.db2.gz DIEMGJLFZMXZLR-OWCLPIDISA-N 1 3 284.513 3.230 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000662285747 419385466 /nfs/dbraw/zinc/38/54/66/419385466.db2.gz MWZQMSHEYKOJHK-XQQFMLRXSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000662285747 419385469 /nfs/dbraw/zinc/38/54/69/419385469.db2.gz MWZQMSHEYKOJHK-XQQFMLRXSA-N 1 3 262.388 3.117 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844857 419385464 /nfs/dbraw/zinc/38/54/64/419385464.db2.gz KOTNRELJIJFPJS-LVQVYYBASA-N 1 3 264.457 3.133 20 0 CGADHO Cc1cccc(C)c1[C@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000662294875 419386364 /nfs/dbraw/zinc/38/63/64/419386364.db2.gz FWLNIPLSCCCAKK-JKSUJKDBSA-N 1 3 258.409 3.050 20 0 CGADHO CC(C)CCC[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663344961 419567536 /nfs/dbraw/zinc/56/75/36/419567536.db2.gz DGHKHDPMPWCHDX-MRXNPFEDSA-N 1 3 252.446 3.134 20 0 CGADHO c1cc(CN2CCC(C[NH2+]C(C3CC3)C3CC3)CC2)ccn1 ZINC000658166208 419631938 /nfs/dbraw/zinc/63/19/38/419631938.db2.gz NARMOJPRUQHBPK-UHFFFAOYSA-N 1 3 299.462 3.072 20 0 CGADHO CSc1ccccc1C[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663502111 419636888 /nfs/dbraw/zinc/63/68/88/419636888.db2.gz FTESMRMTEYLKGL-UKRRQHHQSA-N 1 3 280.481 3.303 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000663501630 419637449 /nfs/dbraw/zinc/63/74/49/419637449.db2.gz ALHTVKWJXXCMMM-KZNAEPCWSA-N 1 3 274.452 3.361 20 0 CGADHO CC(C)COc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663497600 419637632 /nfs/dbraw/zinc/63/76/32/419637632.db2.gz CQACWKAJBDQRQJ-QGZVFWFLSA-N 1 3 278.440 3.184 20 0 CGADHO C[NH2+]C[C@H](C)NC1CCC(C)(c2ccccc2)CC1 ZINC000663510056 419639955 /nfs/dbraw/zinc/63/99/55/419639955.db2.gz OLEUBVSYGIVALI-OOHWJJMZSA-N 1 3 260.425 3.084 20 0 CGADHO C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663465576 419615810 /nfs/dbraw/zinc/61/58/10/419615810.db2.gz KQFUKYDNRWPECK-NJAFHUGGSA-N 1 3 276.468 3.277 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccoc1 ZINC000658166094 419631407 /nfs/dbraw/zinc/63/14/07/419631407.db2.gz MJCXVXYLWBLDSF-OAHLLOKOSA-N 1 3 299.418 3.237 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2C[C@H](Oc3ccccc3)C2)CC1 ZINC000658192080 419651375 /nfs/dbraw/zinc/65/13/75/419651375.db2.gz VAKIIXDGCKOTEX-SAABIXHNSA-N 1 3 288.435 3.060 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCC1 ZINC000222446882 287630324 /nfs/dbraw/zinc/63/03/24/287630324.db2.gz RWQXXFGBTXTZNS-MGPQQGTHSA-N 1 3 292.389 3.429 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@@H]2CCN(CC)C2)c1 ZINC000187130343 260132316 /nfs/dbraw/zinc/13/23/16/260132316.db2.gz JXZICKKXCMRUKU-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO CCc1ccc(CCN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000525517807 260230797 /nfs/dbraw/zinc/23/07/97/260230797.db2.gz GKFACRJJVNJMJN-GOSISDBHSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccc(CCN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000525517807 260230799 /nfs/dbraw/zinc/23/07/99/260230799.db2.gz GKFACRJJVNJMJN-GOSISDBHSA-N 1 3 274.452 3.065 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000223360654 260293672 /nfs/dbraw/zinc/29/36/72/260293672.db2.gz KJSXBCAFCRXKFJ-YQQAZPJKSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000223360654 260293675 /nfs/dbraw/zinc/29/36/75/260293675.db2.gz KJSXBCAFCRXKFJ-YQQAZPJKSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCC(C)(F)F ZINC000390083525 262112863 /nfs/dbraw/zinc/11/28/63/262112863.db2.gz DTRRUBPEUFWEDQ-STQMWFEESA-N 1 3 262.388 3.322 20 0 CGADHO COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC000390836238 262350489 /nfs/dbraw/zinc/35/04/89/262350489.db2.gz YDHFYKDYQNAYLH-PRTUASRFSA-N 1 3 292.398 3.110 20 0 CGADHO Cc1ccc(C[NH2+]CCCN2CCCCC2)cc1C ZINC000035015361 270027558 /nfs/dbraw/zinc/02/75/58/270027558.db2.gz ALHYVVYZPGJVLT-UHFFFAOYSA-N 1 3 260.425 3.269 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040621246 270029561 /nfs/dbraw/zinc/02/95/61/270029561.db2.gz CWHOMAYPJOZFMK-WMZOPIPTSA-N 1 3 274.452 3.328 20 0 CGADHO CC[NH+](CC)C[C@@H](C)Nc1ccnc2ccccc21 ZINC000041676992 270031441 /nfs/dbraw/zinc/03/14/41/270031441.db2.gz DMQILBPFKMGRQG-CYBMUJFWSA-N 1 3 257.381 3.377 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044535671 270036398 /nfs/dbraw/zinc/03/63/98/270036398.db2.gz CSBCYAVVDRUCEB-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044535671 270036399 /nfs/dbraw/zinc/03/63/99/270036399.db2.gz CSBCYAVVDRUCEB-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000084200216 270043330 /nfs/dbraw/zinc/04/33/30/270043330.db2.gz YMTDHRSYHCHEDZ-GRDNDAEWSA-N 1 3 260.425 3.067 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000084200216 270043331 /nfs/dbraw/zinc/04/33/31/270043331.db2.gz YMTDHRSYHCHEDZ-GRDNDAEWSA-N 1 3 260.425 3.067 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000191779891 270076220 /nfs/dbraw/zinc/07/62/20/270076220.db2.gz AHWBMFSWIYJADJ-KRWDZBQOSA-N 1 3 290.451 3.216 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000191779891 270076221 /nfs/dbraw/zinc/07/62/21/270076221.db2.gz AHWBMFSWIYJADJ-KRWDZBQOSA-N 1 3 290.451 3.216 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@H](C[NH3+])C2)cc1 ZINC000520229337 270098658 /nfs/dbraw/zinc/09/86/58/270098658.db2.gz MANUOBPSJQRFIJ-MRXNPFEDSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H](CN)C2)cc1 ZINC000520229337 270098659 /nfs/dbraw/zinc/09/86/59/270098659.db2.gz MANUOBPSJQRFIJ-MRXNPFEDSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H](CN)C2)cc1 ZINC000520229337 270098660 /nfs/dbraw/zinc/09/86/60/270098660.db2.gz MANUOBPSJQRFIJ-MRXNPFEDSA-N 1 3 260.425 3.023 20 0 CGADHO C1=CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000527746662 270134004 /nfs/dbraw/zinc/13/40/04/270134004.db2.gz WFQZUDOSMXVTIM-UHFFFAOYSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@H]1C[C@@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000527990176 270149044 /nfs/dbraw/zinc/14/90/44/270149044.db2.gz KKBAOVDVSGDLKW-PJODQICGSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]1C[C@@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000527990176 270149045 /nfs/dbraw/zinc/14/90/45/270149045.db2.gz KKBAOVDVSGDLKW-PJODQICGSA-N 1 3 278.827 3.400 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529546101 270183677 /nfs/dbraw/zinc/18/36/77/270183677.db2.gz UDTHYCZIZVUNLR-KGLIPLIRSA-N 1 3 288.426 3.378 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc2cc[nH]c2c1 ZINC000529566817 270185169 /nfs/dbraw/zinc/18/51/69/270185169.db2.gz HDOUTMJGVMZGQX-UHFFFAOYSA-N 1 3 285.435 3.476 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc2cc[nH]c2c1 ZINC000529566817 270185170 /nfs/dbraw/zinc/18/51/70/270185170.db2.gz HDOUTMJGVMZGQX-UHFFFAOYSA-N 1 3 285.435 3.476 20 0 CGADHO CCC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OCC ZINC000530215016 270195884 /nfs/dbraw/zinc/19/58/84/270195884.db2.gz ZOJFHGYLIXMBJU-LTIDMASMSA-N 1 3 282.472 3.092 20 0 CGADHO FC(F)(F)c1cccc2c1CCN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000530231516 270196875 /nfs/dbraw/zinc/19/68/75/270196875.db2.gz ILYNFIDDBMRJDU-LBPRGKRZSA-N 1 3 298.352 3.063 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000235479342 287649976 /nfs/dbraw/zinc/64/99/76/287649976.db2.gz BKYNULORSDDYQH-UAGQMJEPSA-N 1 3 264.457 3.300 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414844408 273966494 /nfs/dbraw/zinc/96/64/94/273966494.db2.gz REFSXCGNJLESEJ-JQHSSLGASA-N 1 3 274.452 3.233 20 0 CGADHO COc1ccc2c(c1)[C@@H](N[C@@H](C)CC[NH+](C)C)CCC2 ZINC000092383842 274133111 /nfs/dbraw/zinc/13/31/11/274133111.db2.gz OCDQFKHWWSBHMT-GUYCJALGSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423209382 274138282 /nfs/dbraw/zinc/13/82/82/274138282.db2.gz FDDLQMKOISTJKZ-DDUZABMNSA-N 1 3 288.435 3.050 20 0 CGADHO C(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000422846385 275393777 /nfs/dbraw/zinc/39/37/77/275393777.db2.gz PTBRAVFWOVYTQO-FGTMMUONSA-N 1 3 294.483 3.094 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000423270642 276021583 /nfs/dbraw/zinc/02/15/83/276021583.db2.gz IHMMAHWBRKNDEN-NVXWUHKLSA-N 1 3 274.452 3.460 20 0 CGADHO CC(C)c1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000113515549 276052952 /nfs/dbraw/zinc/05/29/52/276052952.db2.gz FNGRIRJZQWEDQB-MRXNPFEDSA-N 1 3 260.425 3.194 20 0 CGADHO CC(C)c1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000113515549 276052954 /nfs/dbraw/zinc/05/29/54/276052954.db2.gz FNGRIRJZQWEDQB-MRXNPFEDSA-N 1 3 260.425 3.194 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906340 276212583 /nfs/dbraw/zinc/21/25/83/276212583.db2.gz IYGNNWSWQOEUID-JSGCOSHPSA-N 1 3 293.842 3.044 20 0 CGADHO CCC1(C)CCC([NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000414853030 276215436 /nfs/dbraw/zinc/21/54/36/276215436.db2.gz KMRKKWYXFNKICC-QVOMUQBLSA-N 1 3 252.446 3.323 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000347017873 276419921 /nfs/dbraw/zinc/41/99/21/276419921.db2.gz KSEDWWBNWMGBBT-UHFFFAOYSA-N 1 3 281.469 3.088 20 0 CGADHO CC(C)(C)[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326754 277227564 /nfs/dbraw/zinc/22/75/64/277227564.db2.gz CKIYIQPHLJQCTK-GJZGRUSLSA-N 1 3 264.388 3.255 20 0 CGADHO CC(C)CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349235 277351297 /nfs/dbraw/zinc/35/12/97/277351297.db2.gz MGADBFVQONYCAF-NVXWUHKLSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000429349235 277351298 /nfs/dbraw/zinc/35/12/98/277351298.db2.gz MGADBFVQONYCAF-NVXWUHKLSA-N 1 3 264.457 3.371 20 0 CGADHO CSC1(C[NH2+][C@H]2CCCc3occc32)CCN(C)CC1 ZINC000353650606 278126063 /nfs/dbraw/zinc/12/60/63/278126063.db2.gz RSAOGFNZUBXRBX-AWEZNQCLSA-N 1 3 294.464 3.074 20 0 CGADHO CSC1(CN[C@H]2CCCc3occc32)CC[NH+](C)CC1 ZINC000353650606 278126064 /nfs/dbraw/zinc/12/60/64/278126064.db2.gz RSAOGFNZUBXRBX-AWEZNQCLSA-N 1 3 294.464 3.074 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)c1cccc(Cl)c1 ZINC000414818940 278208617 /nfs/dbraw/zinc/20/86/17/278208617.db2.gz GGTPRDNIQQIGTJ-VNHYZAJKSA-N 1 3 280.843 3.421 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)s1 ZINC000397281357 288022662 /nfs/dbraw/zinc/02/26/62/288022662.db2.gz APMPDIZUMOMZMD-ZETOZRRWSA-N 1 3 266.454 3.170 20 0 CGADHO C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000037117845 278348191 /nfs/dbraw/zinc/34/81/91/278348191.db2.gz CROWBYOFJSNTPM-GOEBONIOSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000423016089 278562520 /nfs/dbraw/zinc/56/25/20/278562520.db2.gz AYLJAECSWONCDJ-DQYPLSBCSA-N 1 3 276.399 3.181 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000089145373 278622160 /nfs/dbraw/zinc/62/21/60/278622160.db2.gz PTWWSQHTZYWYPZ-ZBFHGGJFSA-N 1 3 260.425 3.071 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423054659 288063046 /nfs/dbraw/zinc/06/30/46/288063046.db2.gz BYXVSYLCJHPHRZ-GHMZBOCLSA-N 1 3 274.330 3.229 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000414919069 278936148 /nfs/dbraw/zinc/93/61/48/278936148.db2.gz UEUGXLLYEKTWPA-DLBZAZTESA-N 1 3 260.425 3.130 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423050672 279059988 /nfs/dbraw/zinc/05/99/88/279059988.db2.gz ZEKGULVHHVGHHZ-BRSBDYLESA-N 1 3 296.499 3.481 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)[C@H](C)OC ZINC000128695543 279138931 /nfs/dbraw/zinc/13/89/31/279138931.db2.gz AWKXIFHTRTVBKZ-CABCVRRESA-N 1 3 278.440 3.041 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414944576 279254094 /nfs/dbraw/zinc/25/40/94/279254094.db2.gz HBBXNAUGQVWHQN-FMKPAKJESA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[NH+]1CCC(NC2CC(OC(C)(C)C)C2)CC1 ZINC000490123963 288117457 /nfs/dbraw/zinc/11/74/57/288117457.db2.gz HIVPVRQSGVBYEN-UHFFFAOYSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCSc2ccccc21)CN(C)C ZINC000293660958 279353297 /nfs/dbraw/zinc/35/32/97/279353297.db2.gz LXKZRNDTCYPEAS-OCCSQVGLSA-N 1 3 264.438 3.011 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423228347 279400419 /nfs/dbraw/zinc/40/04/19/279400419.db2.gz ZFNFXXQLSKAJQY-NRUUGDAUSA-N 1 3 297.240 3.324 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C[C@@H](C)O1 ZINC000337390338 288160291 /nfs/dbraw/zinc/16/02/91/288160291.db2.gz NGGDEQBFMQFXPG-ZKXLYKBJSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423202333 280032240 /nfs/dbraw/zinc/03/22/40/280032240.db2.gz ARNYOQPJGUJELE-WBAXXEDZSA-N 1 3 272.436 3.460 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423480541 280166502 /nfs/dbraw/zinc/16/65/02/280166502.db2.gz WFAOQTYILNLHSI-CVEARBPZSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C1CCCC1 ZINC000423154801 280196312 /nfs/dbraw/zinc/19/63/12/280196312.db2.gz JVMLAAUEOAXTHJ-CXAGYDPISA-N 1 3 275.440 3.468 20 0 CGADHO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C)[C@H](C)N)CC2 ZINC000423459675 280309120 /nfs/dbraw/zinc/30/91/20/280309120.db2.gz IGEJQFAUVOKBMU-OUJBWJOFSA-N 1 3 297.240 3.070 20 0 CGADHO Cc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCCN1C)C2 ZINC000361841812 281053166 /nfs/dbraw/zinc/05/31/66/281053166.db2.gz GUAHVUWKTNYMAM-SFHVURJKSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCCCN1C)C2 ZINC000361841812 281053169 /nfs/dbraw/zinc/05/31/69/281053169.db2.gz GUAHVUWKTNYMAM-SFHVURJKSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423395998 281125789 /nfs/dbraw/zinc/12/57/89/281125789.db2.gz SBWTYJPSCZSZCJ-YQQAZPJKSA-N 1 3 258.409 3.232 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2ccnc3ccccc23)CC1 ZINC000530390474 288303746 /nfs/dbraw/zinc/30/37/46/288303746.db2.gz GEYKTRJOGHGPMX-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2ccnc3ccccc23)CC1 ZINC000530390474 288303749 /nfs/dbraw/zinc/30/37/49/288303749.db2.gz GEYKTRJOGHGPMX-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000347006376 281373019 /nfs/dbraw/zinc/37/30/19/281373019.db2.gz QAOMOXUZOPUMKE-BRWVUGGUSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000347006376 281373023 /nfs/dbraw/zinc/37/30/23/281373023.db2.gz QAOMOXUZOPUMKE-BRWVUGGUSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000178411008 282033133 /nfs/dbraw/zinc/03/31/33/282033133.db2.gz VGSKIWNXUSEUEB-AWEZNQCLSA-N 1 3 293.480 3.295 20 0 CGADHO CCCC[C@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000539073695 288602511 /nfs/dbraw/zinc/60/25/11/288602511.db2.gz WYRIRVBWOWVFCW-ZACQAIPSSA-N 1 3 284.488 3.434 20 0 CGADHO Cc1cccc(CC[NH2+]Cc2ccc(CN(C)C)cc2)c1 ZINC000550617367 289079144 /nfs/dbraw/zinc/07/91/44/289079144.db2.gz YVJSOLSLCIACQW-UHFFFAOYSA-N 1 3 282.431 3.389 20 0 CGADHO CC(C)C(C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000551537023 289121257 /nfs/dbraw/zinc/12/12/57/289121257.db2.gz YTUHKOLCETXNTJ-CALCHBBNSA-N 1 3 298.515 3.394 20 0 CGADHO C[C@H](N[C@H]1C[C@@H]1C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376197 289278696 /nfs/dbraw/zinc/27/86/96/289278696.db2.gz IVGCDTFPXBVXHM-UKMLZYKCSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@H](N[C@H]1C[C@@H]1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376197 289278697 /nfs/dbraw/zinc/27/86/97/289278697.db2.gz IVGCDTFPXBVXHM-UKMLZYKCSA-N 1 3 294.389 3.140 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000554875170 289315949 /nfs/dbraw/zinc/31/59/49/289315949.db2.gz VHGZTHFREHOBLA-HYVNUMGLSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C[NH2+]C1CCC2(CCCO2)CC1)CN1CCCC1 ZINC000555358989 289341749 /nfs/dbraw/zinc/34/17/49/289341749.db2.gz VGHCTVNDMATJNL-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000556939308 289423665 /nfs/dbraw/zinc/42/36/65/289423665.db2.gz TZZRHSXODMAHBC-FXUDXRNXSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000415111467 289729204 /nfs/dbraw/zinc/72/92/04/289729204.db2.gz QXJJUTZNCZNINB-SLBVQIDZSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccc(C)c(OCCC[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000420364992 533693060 /nfs/dbraw/zinc/69/30/60/533693060.db2.gz PSRNIWQUHWEDIB-QGZVFWFLSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1ccc(C)c(OCCCN[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420364992 533693070 /nfs/dbraw/zinc/69/30/70/533693070.db2.gz PSRNIWQUHWEDIB-QGZVFWFLSA-N 1 3 290.451 3.050 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423227668 298960339 /nfs/dbraw/zinc/96/03/39/298960339.db2.gz WNTVWYLLQDLHQM-UWVGGRQHSA-N 1 3 260.303 3.093 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422752172 301778908 /nfs/dbraw/zinc/77/89/08/301778908.db2.gz APWKSFMVASMAIG-PVAVHDDUSA-N 1 3 260.425 3.206 20 0 CGADHO FC(F)(F)CCCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420342679 303112371 /nfs/dbraw/zinc/11/23/71/303112371.db2.gz XXCFUULDITUUAZ-CYBMUJFWSA-N 1 3 278.362 3.183 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 ZINC000515846332 303432038 /nfs/dbraw/zinc/43/20/38/303432038.db2.gz TZUPTMHFIKMVLD-SFHVURJKSA-N 1 3 281.403 3.182 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565225942 322067896 /nfs/dbraw/zinc/06/78/96/322067896.db2.gz HKMBYWHPUGIGCA-LSDHHAIUSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000565658584 322086020 /nfs/dbraw/zinc/08/60/20/322086020.db2.gz PPRQFUNMIZXHHN-OTRWWLKZSA-N 1 3 260.425 3.212 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000566614339 322131404 /nfs/dbraw/zinc/13/14/04/322131404.db2.gz KTRAKKLWVWEYOH-OLZOCXBDSA-N 1 3 268.832 3.421 20 0 CGADHO CCNCCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000566614339 322131406 /nfs/dbraw/zinc/13/14/06/322131406.db2.gz KTRAKKLWVWEYOH-OLZOCXBDSA-N 1 3 268.832 3.421 20 0 CGADHO CC[NH2+]CCCN[C@H](CSc1ccccc1)C(C)C ZINC000567638889 322171838 /nfs/dbraw/zinc/17/18/38/322171838.db2.gz SDXYNAVWRRNCOQ-MRXNPFEDSA-N 1 3 280.481 3.393 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000567642345 322171918 /nfs/dbraw/zinc/17/19/18/322171918.db2.gz JQVZJMASUCEBDK-PKOBYXMFSA-N 1 3 295.430 3.356 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000568412926 322208792 /nfs/dbraw/zinc/20/87/92/322208792.db2.gz NSTCWRKXHZPXEL-HUUCEWRRSA-N 1 3 296.842 3.359 20 0 CGADHO c1cncc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000569010391 322231662 /nfs/dbraw/zinc/23/16/62/322231662.db2.gz JZCRORAKWGMAHF-IBGZPJMESA-N 1 3 293.414 3.064 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000572608744 322346337 /nfs/dbraw/zinc/34/63/37/322346337.db2.gz RAFIWWXUKGXRLO-KRWDZBQOSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000572608744 322346340 /nfs/dbraw/zinc/34/63/40/322346340.db2.gz RAFIWWXUKGXRLO-KRWDZBQOSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)CCc1ccc(F)cc1F ZINC000577214455 327092653 /nfs/dbraw/zinc/09/26/53/327092653.db2.gz UBNYIHUTNCNBCT-ZDUSSCGKSA-N 1 3 284.394 3.264 20 0 CGADHO Cc1ccccc1C[C@H](NCCC[NH2+]C(C)C)C1CC1 ZINC000584285647 327218038 /nfs/dbraw/zinc/21/80/38/327218038.db2.gz XWYGQNWDCLHYTO-SFHVURJKSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]CCCNC(C)C)C1CC1 ZINC000584285647 327218039 /nfs/dbraw/zinc/21/80/39/327218039.db2.gz XWYGQNWDCLHYTO-SFHVURJKSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1ccc(CNCC2CC[NH+](CCC(C)C)CC2)o1 ZINC000175990812 335226583 /nfs/dbraw/zinc/22/65/83/335226583.db2.gz CALGJYKZINZTDV-UHFFFAOYSA-N 1 3 278.440 3.436 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)CN1CCCC1 ZINC000577014596 335282199 /nfs/dbraw/zinc/28/21/99/335282199.db2.gz JTGUIZSSPUVSJO-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccccc1-n1cccn1 ZINC000177189803 335367961 /nfs/dbraw/zinc/36/79/61/335367961.db2.gz YXHLETDROXVFPZ-INIZCTEOSA-N 1 3 298.434 3.009 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000178677485 335444560 /nfs/dbraw/zinc/44/45/60/335444560.db2.gz TVQMHZLJRXKADF-AWEZNQCLSA-N 1 3 278.440 3.324 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2c1C ZINC000579859350 335911333 /nfs/dbraw/zinc/91/13/33/335911333.db2.gz PEVYFNAMXHZHJZ-CABCVRRESA-N 1 3 271.408 3.144 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000581456590 336080177 /nfs/dbraw/zinc/08/01/77/336080177.db2.gz LRCDEUPJIPUCTA-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000581456590 336080178 /nfs/dbraw/zinc/08/01/78/336080178.db2.gz LRCDEUPJIPUCTA-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000581456590 336080179 /nfs/dbraw/zinc/08/01/79/336080179.db2.gz LRCDEUPJIPUCTA-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000581456590 336080180 /nfs/dbraw/zinc/08/01/80/336080180.db2.gz LRCDEUPJIPUCTA-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000385851115 336157966 /nfs/dbraw/zinc/15/79/66/336157966.db2.gz PXEVUSFROQOMOO-FJBKBRRZSA-N 1 3 282.497 3.125 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581997087 336187416 /nfs/dbraw/zinc/18/74/16/336187416.db2.gz SWOZQUJJOJLUJO-DLBZAZTESA-N 1 3 278.415 3.440 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581997087 336187417 /nfs/dbraw/zinc/18/74/17/336187417.db2.gz SWOZQUJJOJLUJO-DLBZAZTESA-N 1 3 278.415 3.440 20 0 CGADHO C[C@@H](O)C[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449236268 533756778 /nfs/dbraw/zinc/75/67/78/533756778.db2.gz XIYLSDWBQPQSQB-LSDHHAIUSA-N 1 3 298.515 3.415 20 0 CGADHO COc1cccc2c(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cccc12 ZINC000449169005 533840406 /nfs/dbraw/zinc/84/04/06/533840406.db2.gz FKKQQMYFAYTNEJ-ZBFHGGJFSA-N 1 3 298.430 3.421 20 0 CGADHO COc1cccc2c(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)cccc12 ZINC000449169005 533840412 /nfs/dbraw/zinc/84/04/12/533840412.db2.gz FKKQQMYFAYTNEJ-ZBFHGGJFSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000437056495 534011321 /nfs/dbraw/zinc/01/13/21/534011321.db2.gz KKFWSUULYQMXBD-VYDXJSESSA-N 1 3 290.451 3.466 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000037643708 521710728 /nfs/dbraw/zinc/71/07/28/521710728.db2.gz DBNLRYKVXFWCIJ-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC000037643708 521710729 /nfs/dbraw/zinc/71/07/29/521710729.db2.gz DBNLRYKVXFWCIJ-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC000037643708 521710730 /nfs/dbraw/zinc/71/07/30/521710730.db2.gz DBNLRYKVXFWCIJ-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000037643978 521710826 /nfs/dbraw/zinc/71/08/26/521710826.db2.gz PFELLGLQWJVJTP-HOTGVXAUSA-N 1 3 290.451 3.466 20 0 CGADHO CN(CCCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000339414000 522737083 /nfs/dbraw/zinc/73/70/83/522737083.db2.gz QQPJOGWAAJRDAU-SJPCQFCGSA-N 1 3 288.435 3.060 20 0 CGADHO Cc1ccc(F)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000157032469 524849368 /nfs/dbraw/zinc/84/93/68/524849368.db2.gz LKTXICVFWRHSTR-QGZVFWFLSA-N 1 3 276.399 3.098 20 0 CGADHO C1[C@@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CCC1 ZINC000424372166 526424289 /nfs/dbraw/zinc/42/42/89/526424289.db2.gz HHQDSINQYHJTAN-ZHCJQAHYSA-N 1 3 262.441 3.075 20 0 CGADHO C1[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)[C@@H]1C1CCC1 ZINC000424372166 526424290 /nfs/dbraw/zinc/42/42/90/526424290.db2.gz HHQDSINQYHJTAN-ZHCJQAHYSA-N 1 3 262.441 3.075 20 0 CGADHO C(CN1CCC[C@H]1C1CC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000365475485 527480257 /nfs/dbraw/zinc/48/02/57/527480257.db2.gz BVVKWTMCAINUDM-IRXDYDNUSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000365475485 527480261 /nfs/dbraw/zinc/48/02/61/527480261.db2.gz BVVKWTMCAINUDM-IRXDYDNUSA-N 1 3 262.441 3.125 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449089882 527815018 /nfs/dbraw/zinc/81/50/18/527815018.db2.gz LPNFQSRINGDNPX-HUUCEWRRSA-N 1 3 286.419 3.295 20 0 CGADHO CC(C)CC[C@H](NCC1=CC[NH2+]CC1)c1ccoc1 ZINC000423335795 527846145 /nfs/dbraw/zinc/84/61/45/527846145.db2.gz GPBSWZCFLXKFOB-INIZCTEOSA-N 1 3 262.397 3.266 20 0 CGADHO CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000449246244 527859121 /nfs/dbraw/zinc/85/91/21/527859121.db2.gz DAWVPDFLQZOBME-DOTOQJQBSA-N 1 3 264.457 3.443 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365196619 528113181 /nfs/dbraw/zinc/11/31/81/528113181.db2.gz BAKWRWZDSAUWMA-QZTJIDSGSA-N 1 3 290.451 3.086 20 0 CGADHO CCO[C@H]1C[C@H](NCC([NH3+])(CC)CC)C12CCCCC2 ZINC000423286860 528140443 /nfs/dbraw/zinc/14/04/43/528140443.db2.gz JDHIQGYVFNNQTO-GJZGRUSLSA-N 1 3 282.472 3.221 20 0 CGADHO CC(C)COc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423324046 528161406 /nfs/dbraw/zinc/16/14/06/528161406.db2.gz JZQVTBVQHDCDNX-CQSZACIVSA-N 1 3 276.424 3.253 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(OC)cc1 ZINC000423361729 528241162 /nfs/dbraw/zinc/24/11/62/528241162.db2.gz AOYFEBCNZPNFHZ-COXVUDFISA-N 1 3 276.424 3.124 20 0 CGADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000423375317 528422312 /nfs/dbraw/zinc/42/23/12/528422312.db2.gz INXADCPPDRRAQO-DJIMGWMZSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)NCC1([NH3+])CCC1 ZINC000423315874 528487646 /nfs/dbraw/zinc/48/76/46/528487646.db2.gz BEGIWXURNDLPPE-OAHLLOKOSA-N 1 3 278.465 3.274 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000423287453 528636934 /nfs/dbraw/zinc/63/69/34/528636934.db2.gz MKLHYUBSTNDJEC-ZIAGYGMSSA-N 1 3 270.461 3.077 20 0 CGADHO CCCCO[C@@H]1C[C@@H](NCC([NH3+])(CC)CC)C1(C)C ZINC000423287453 528636936 /nfs/dbraw/zinc/63/69/36/528636936.db2.gz MKLHYUBSTNDJEC-ZIAGYGMSSA-N 1 3 270.461 3.077 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367590720 528657042 /nfs/dbraw/zinc/65/70/42/528657042.db2.gz VTBYDAMALSHEMT-KSZLIROESA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367590720 528657045 /nfs/dbraw/zinc/65/70/45/528657045.db2.gz VTBYDAMALSHEMT-KSZLIROESA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000367590720 528657048 /nfs/dbraw/zinc/65/70/48/528657048.db2.gz VTBYDAMALSHEMT-KSZLIROESA-N 1 3 288.435 3.048 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423329648 528691373 /nfs/dbraw/zinc/69/13/73/528691373.db2.gz TVQKINZQGZCNGK-GUYCJALGSA-N 1 3 276.424 3.253 20 0 CGADHO CC(C)N(C)c1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423061099 528853448 /nfs/dbraw/zinc/85/34/48/528853448.db2.gz QBHGWTLPYCVDHC-DOTOQJQBSA-N 1 3 289.467 3.138 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423282897 528949838 /nfs/dbraw/zinc/94/98/38/528949838.db2.gz DIOCGHXOYNDDHI-KGLIPLIRSA-N 1 3 278.440 3.294 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](Cc1cccc(C)c1)C1CC1 ZINC000423286472 528954486 /nfs/dbraw/zinc/95/44/86/528954486.db2.gz HOGMWUINBJCABY-QGZVFWFLSA-N 1 3 274.452 3.423 20 0 CGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc(F)cc1 ZINC000423289396 529156148 /nfs/dbraw/zinc/15/61/48/529156148.db2.gz XDHIVRFRJQUYQV-CQSZACIVSA-N 1 3 252.377 3.384 20 0 CGADHO CC[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423252360 529168404 /nfs/dbraw/zinc/16/84/04/529168404.db2.gz UAJPJFASEUFTHG-XHDPSFHLSA-N 1 3 268.351 3.005 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(C)ccc1OC ZINC000425951456 529172055 /nfs/dbraw/zinc/17/20/55/529172055.db2.gz MTKATLOUBZLNCP-GDBMZVCRSA-N 1 3 278.440 3.242 20 0 CGADHO CC[C@@H](N[C@@H](CCC[NH3+])COC)c1ccc(Cl)s1 ZINC000422733160 529201105 /nfs/dbraw/zinc/20/11/05/529201105.db2.gz QRJYRCUVIVOULF-WDEREUQCSA-N 1 3 290.860 3.196 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423279487 529247528 /nfs/dbraw/zinc/24/75/28/529247528.db2.gz SAUQLMIHYKJHEG-SWLSCSKDSA-N 1 3 266.454 3.433 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000091305984 534957817 /nfs/dbraw/zinc/95/78/17/534957817.db2.gz CBEMGQCTRLMUGO-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000091305984 534957820 /nfs/dbraw/zinc/95/78/20/534957820.db2.gz CBEMGQCTRLMUGO-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC(C)(C)C1)CN1CCCC1 ZINC000477909702 535152251 /nfs/dbraw/zinc/15/22/51/535152251.db2.gz FFVQPQFUXNABLL-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCCC1 ZINC000093491578 535158075 /nfs/dbraw/zinc/15/80/75/535158075.db2.gz IVKOTSXUYFIYKI-OWCLPIDISA-N 1 3 264.457 3.467 20 0 CGADHO CC[NH2+]CC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000130004038 535457752 /nfs/dbraw/zinc/45/77/52/535457752.db2.gz OMJVDFWKXDUDKP-UHFFFAOYSA-N 1 3 296.842 3.040 20 0 CGADHO CC[NH+](CC)CC1CCN(CCOCC2CCCC2)CC1 ZINC000459304565 535497495 /nfs/dbraw/zinc/49/74/95/535497495.db2.gz PFOXVWRTPPSJFO-UHFFFAOYSA-N 1 3 296.499 3.247 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037649239 535541050 /nfs/dbraw/zinc/54/10/50/535541050.db2.gz FKGJUSWVZBFYAF-HUUCEWRRSA-N 1 3 288.435 3.220 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411196 536390186 /nfs/dbraw/zinc/39/01/86/536390186.db2.gz DGGAVEFIFMKWBP-ZWKOTPCHSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411196 536390187 /nfs/dbraw/zinc/39/01/87/536390187.db2.gz DGGAVEFIFMKWBP-ZWKOTPCHSA-N 1 3 290.426 3.273 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000512988603 536638120 /nfs/dbraw/zinc/63/81/20/536638120.db2.gz XRZQLRLYZQSYED-CGTJXYLNSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000512988603 536638127 /nfs/dbraw/zinc/63/81/27/536638127.db2.gz XRZQLRLYZQSYED-CGTJXYLNSA-N 1 3 296.499 3.290 20 0 CGADHO CN(Cc1cc(-c2cccs2)on1)C1CCC([NH3+])CC1 ZINC000091846653 618737683 /nfs/dbraw/zinc/73/76/83/618737683.db2.gz AQHWQBGUHXQNIE-UHFFFAOYSA-N 1 3 291.420 3.105 20 0 CGADHO C[C@H](NCC(C)(C)F)c1cccc(C[NH+](C)C)c1 ZINC000926779098 618885315 /nfs/dbraw/zinc/88/53/15/618885315.db2.gz GXKBTXIAUCXFKD-LBPRGKRZSA-N 1 3 252.377 3.147 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@H]2C[C@H](N)C23CCC3)cc1 ZINC000925516484 619010493 /nfs/dbraw/zinc/01/04/93/619010493.db2.gz UZJSJXLFYHZROC-HOTGVXAUSA-N 1 3 290.476 3.088 20 0 CGADHO Cc1ccc(CSCCN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925516484 619010495 /nfs/dbraw/zinc/01/04/95/619010495.db2.gz UZJSJXLFYHZROC-HOTGVXAUSA-N 1 3 290.476 3.088 20 0 CGADHO Cc1nc2c(s1)[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925633518 619098729 /nfs/dbraw/zinc/09/87/29/619098729.db2.gz YFIHDCVYUCJNGG-OUCADQQQSA-N 1 3 293.480 3.325 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925655219 619111674 /nfs/dbraw/zinc/11/16/74/619111674.db2.gz RDMCDOURJLRISO-SRABZTEZSA-N 1 3 270.420 3.101 20 0 CGADHO CC(F)(F)CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925673220 619123939 /nfs/dbraw/zinc/12/39/39/619123939.db2.gz AYSBTVLLLLUUSB-UONOGXRCSA-N 1 3 274.399 3.180 20 0 CGADHO FC1(F)CC(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925683970 619132285 /nfs/dbraw/zinc/13/22/85/619132285.db2.gz CHWCZVUOYCXFMR-HUUCEWRRSA-N 1 3 286.410 3.180 20 0 CGADHO C1=C(CCN2CCC([N@@H+]3CCCOCC3)CC2)CCCC1 ZINC000931285809 619137577 /nfs/dbraw/zinc/13/75/77/619137577.db2.gz PUFXFZZDQKUBNV-UHFFFAOYSA-N 1 3 292.467 3.064 20 0 CGADHO C1=C(CCN2CCC([N@H+]3CCCOCC3)CC2)CCCC1 ZINC000931285809 619137579 /nfs/dbraw/zinc/13/75/79/619137579.db2.gz PUFXFZZDQKUBNV-UHFFFAOYSA-N 1 3 292.467 3.064 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C[C@@]1(F)Cl ZINC000925714172 619159722 /nfs/dbraw/zinc/15/97/22/619159722.db2.gz WGEVRHCJTHEWLZ-MIBAYGRRSA-N 1 3 288.838 3.057 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000925720747 619165920 /nfs/dbraw/zinc/16/59/20/619165920.db2.gz IMHHXDDIZHKPCA-WJNMYVKJSA-N 1 3 276.468 3.181 20 0 CGADHO CC[C@H](NCC[C@@H]1CCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925736769 619210941 /nfs/dbraw/zinc/21/09/41/619210941.db2.gz ORLLSGBHJMURHZ-MELADBBJSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925777439 619240476 /nfs/dbraw/zinc/24/04/76/619240476.db2.gz DOXJEKKUQXZRKS-PWSUYJOCSA-N 1 3 288.769 3.235 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925778543 619241275 /nfs/dbraw/zinc/24/12/75/619241275.db2.gz JUVJPUFGVFBQNL-RKDXNWHRSA-N 1 3 294.798 3.297 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000925828794 619281543 /nfs/dbraw/zinc/28/15/43/619281543.db2.gz ZYUSPCMNJQDDGX-XBFCOCLRSA-N 1 3 250.361 3.055 20 0 CGADHO CC1([NH+]2CCC2)CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000895672459 619869834 /nfs/dbraw/zinc/86/98/34/619869834.db2.gz ZCFYBDAIOISARI-MSOLQXFVSA-N 1 3 284.447 3.350 20 0 CGADHO Cc1occc1CN(C)CCCC[NH+]1CCCCC1 ZINC000895683510 619872324 /nfs/dbraw/zinc/87/23/24/619872324.db2.gz MQNUFTHJVWDPKZ-UHFFFAOYSA-N 1 3 264.413 3.286 20 0 CGADHO C[C@H](CN[C@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C ZINC000896720988 620049753 /nfs/dbraw/zinc/04/97/53/620049753.db2.gz KTRLMFNGHZMSMO-GDBMZVCRSA-N 1 3 277.456 3.346 20 0 CGADHO CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219012 620234947 /nfs/dbraw/zinc/23/49/47/620234947.db2.gz ASGDZHUCVXQXBN-MSOLQXFVSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ncccc1CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000898250053 620497089 /nfs/dbraw/zinc/49/70/89/620497089.db2.gz LMODVEOAQOHIOJ-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902349308 621258617 /nfs/dbraw/zinc/25/86/17/621258617.db2.gz YTJFOTBHVRKAKS-CYBMUJFWSA-N 1 3 295.496 3.177 20 0 CGADHO [NH3+]CCCC[C@H](N[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000902393980 621302813 /nfs/dbraw/zinc/30/28/13/621302813.db2.gz TUOLGIBGRNDBJZ-LSDHHAIUSA-N 1 3 280.362 3.277 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902477348 621327036 /nfs/dbraw/zinc/32/70/36/621327036.db2.gz SOAJTFSLHTWSNZ-MDMSPXHWSA-N 1 3 270.420 3.114 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCS1 ZINC000902451081 621330354 /nfs/dbraw/zinc/33/03/54/621330354.db2.gz FKBGRBJRKTVRJK-OWCLPIDISA-N 1 3 296.524 3.419 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2C[C@@H](N)c3ccccc32)O1 ZINC000902459545 621336055 /nfs/dbraw/zinc/33/60/55/621336055.db2.gz BYWVVLQPUZTEPG-WQVCFCJDSA-N 1 3 274.408 3.069 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CC1 ZINC000902460285 621336223 /nfs/dbraw/zinc/33/62/23/621336223.db2.gz GHSIXXRALXVLGS-RKTXRCNFSA-N 1 3 290.838 3.144 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902721532 621410740 /nfs/dbraw/zinc/41/07/40/621410740.db2.gz ZOURJMQJCDGAPQ-QGZVFWFLSA-N 1 3 284.488 3.149 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC000902761640 621429609 /nfs/dbraw/zinc/42/96/09/621429609.db2.gz VTYJBMCAIZKBPQ-AEFFLSMTSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000903169118 621618787 /nfs/dbraw/zinc/61/87/87/621618787.db2.gz ZDHWNZPDZDNTSM-DZKIICNBSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476341 621763448 /nfs/dbraw/zinc/76/34/48/621763448.db2.gz URNBZPIOUHPYSZ-GOSISDBHSA-N 1 3 285.435 3.365 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476341 621763452 /nfs/dbraw/zinc/76/34/52/621763452.db2.gz URNBZPIOUHPYSZ-GOSISDBHSA-N 1 3 285.435 3.365 20 0 CGADHO CCC[N@H+](Cc1ccccc1CF)C1CCNCC1 ZINC000903741736 621801559 /nfs/dbraw/zinc/80/15/59/621801559.db2.gz SHSPROKIEPAGEJ-UHFFFAOYSA-N 1 3 264.388 3.120 20 0 CGADHO CCC[N@@H+](Cc1ccccc1CF)C1CCNCC1 ZINC000903741736 621801561 /nfs/dbraw/zinc/80/15/61/621801561.db2.gz SHSPROKIEPAGEJ-UHFFFAOYSA-N 1 3 264.388 3.120 20 0 CGADHO CCCN(Cc1ccccc1CF)C1CC[NH2+]CC1 ZINC000903741736 621801564 /nfs/dbraw/zinc/80/15/64/621801564.db2.gz SHSPROKIEPAGEJ-UHFFFAOYSA-N 1 3 264.388 3.120 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342222 621909203 /nfs/dbraw/zinc/90/92/03/621909203.db2.gz ZULRIRNOMKPEQQ-IRXDYDNUSA-N 1 3 289.467 3.100 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342222 621909207 /nfs/dbraw/zinc/90/92/07/621909207.db2.gz ZULRIRNOMKPEQQ-IRXDYDNUSA-N 1 3 289.467 3.100 20 0 CGADHO [NH3+][C@H]1C[C@@H](CN2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000904346602 621910078 /nfs/dbraw/zinc/91/00/78/621910078.db2.gz VZUOPHVQXHVXBY-PVXIVEMSSA-N 1 3 280.362 3.229 20 0 CGADHO CN(C)[C@H](CNC[C@@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367756 621912806 /nfs/dbraw/zinc/91/28/06/621912806.db2.gz HYOZVWOKWWWIRS-DLBZAZTESA-N 1 3 291.483 3.033 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420139 621922119 /nfs/dbraw/zinc/92/21/19/621922119.db2.gz CZOMKVATYLVKSJ-NBMJBFSESA-N 1 3 284.447 3.038 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420139 621922120 /nfs/dbraw/zinc/92/21/20/621922120.db2.gz CZOMKVATYLVKSJ-NBMJBFSESA-N 1 3 284.447 3.038 20 0 CGADHO CN(Cc1ccsc1Cl)C1CCC([NH3+])CC1 ZINC000312583340 623540265 /nfs/dbraw/zinc/54/02/65/623540265.db2.gz YSXKAZCBYZKPEX-UHFFFAOYSA-N 1 3 258.818 3.103 20 0 CGADHO CC[NH+]1CCC(CCNCc2cc(C)cnc2Cl)CC1 ZINC000921783614 625874662 /nfs/dbraw/zinc/87/46/62/625874662.db2.gz GGGATTLGIKGHFE-UHFFFAOYSA-N 1 3 295.858 3.255 20 0 CGADHO Cc1oc(-c2ccccc2)nc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497677 626158713 /nfs/dbraw/zinc/15/87/13/626158713.db2.gz IVWOSUHOQGDPBL-CZUORRHYSA-N 1 3 299.418 3.067 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000754785661 626587116 /nfs/dbraw/zinc/58/71/16/626587116.db2.gz MZMSPPJEWUNJPE-XOKHGSTOSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000754785661 626587118 /nfs/dbraw/zinc/58/71/18/626587118.db2.gz MZMSPPJEWUNJPE-XOKHGSTOSA-N 1 3 276.399 3.146 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000765507230 627255172 /nfs/dbraw/zinc/25/51/72/627255172.db2.gz BQLNKVYPEVYNGK-OLZOCXBDSA-N 1 3 285.391 3.138 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000765507230 627255175 /nfs/dbraw/zinc/25/51/75/627255175.db2.gz BQLNKVYPEVYNGK-OLZOCXBDSA-N 1 3 285.391 3.138 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC000765518104 627256189 /nfs/dbraw/zinc/25/61/89/627256189.db2.gz XIWLTNSJKRPLNL-CQSZACIVSA-N 1 3 299.418 3.021 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC000765518104 627256192 /nfs/dbraw/zinc/25/61/92/627256192.db2.gz XIWLTNSJKRPLNL-CQSZACIVSA-N 1 3 299.418 3.021 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622069 628115320 /nfs/dbraw/zinc/11/53/20/628115320.db2.gz PHYJCEDERZHXBE-KBPBESRZSA-N 1 3 271.408 3.160 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622069 628115324 /nfs/dbraw/zinc/11/53/24/628115324.db2.gz PHYJCEDERZHXBE-KBPBESRZSA-N 1 3 271.408 3.160 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000783230959 628691396 /nfs/dbraw/zinc/69/13/96/628691396.db2.gz OKKUDPQNBJKTNE-PBHICJAKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000783233084 628692338 /nfs/dbraw/zinc/69/23/38/628692338.db2.gz YJPQRYDPGDFHLC-XJKSGUPXSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796832063 629843917 /nfs/dbraw/zinc/84/39/17/629843917.db2.gz LTDCHKGEJJMERX-KBAYOESNSA-N 1 3 272.436 3.266 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796832063 629843921 /nfs/dbraw/zinc/84/39/21/629843921.db2.gz LTDCHKGEJJMERX-KBAYOESNSA-N 1 3 272.436 3.266 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933203 630370134 /nfs/dbraw/zinc/37/01/34/630370134.db2.gz KSGBEOKFHSGCSL-UONOGXRCSA-N 1 3 272.502 3.180 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933203 630370137 /nfs/dbraw/zinc/37/01/37/630370137.db2.gz KSGBEOKFHSGCSL-UONOGXRCSA-N 1 3 272.502 3.180 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H](C)C[N@H+](C)C(C)C ZINC000811848462 631127136 /nfs/dbraw/zinc/12/71/36/631127136.db2.gz FWMJNGRLQWVDCD-ZDUSSCGKSA-N 1 3 287.407 3.384 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811848462 631127140 /nfs/dbraw/zinc/12/71/40/631127140.db2.gz FWMJNGRLQWVDCD-ZDUSSCGKSA-N 1 3 287.407 3.384 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817908609 632234151 /nfs/dbraw/zinc/23/41/51/632234151.db2.gz SYNIVQZSPJZVJV-RYQLBKOJSA-N 1 3 272.436 3.314 20 0 CGADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000817932359 632236016 /nfs/dbraw/zinc/23/60/16/632236016.db2.gz VWGWCIUMAQTDOF-GBESFXJTSA-N 1 3 296.414 3.071 20 0 CGADHO Cc1cc([C@H](C)NCc2ccc(CC[NH3+])cc2)c(C)o1 ZINC000817947375 632243600 /nfs/dbraw/zinc/24/36/00/632243600.db2.gz DAXPMUZBZWLPTC-ZDUSSCGKSA-N 1 3 272.392 3.248 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965147 632260391 /nfs/dbraw/zinc/26/03/91/632260391.db2.gz MRGTWEGRMICIRL-TVQRCGJNSA-N 1 3 286.391 3.389 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000817970558 632264909 /nfs/dbraw/zinc/26/49/09/632264909.db2.gz ZYUSPCMNJQDDGX-FPMFFAJLSA-N 1 3 250.361 3.055 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3c(F)cccc32)C1 ZINC000866236248 633037920 /nfs/dbraw/zinc/03/79/20/633037920.db2.gz AVRZIAUPSCWHQT-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC000866236250 633038576 /nfs/dbraw/zinc/03/85/76/633038576.db2.gz AVRZIAUPSCWHQT-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866250332 633045434 /nfs/dbraw/zinc/04/54/34/633045434.db2.gz YNELVDOMUWAVMQ-QWRGUYRKSA-N 1 3 295.814 3.472 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)N1CCCCC1 ZINC000872062826 633985135 /nfs/dbraw/zinc/98/51/35/633985135.db2.gz QQRNTBHAZDCQFU-IAGOWNOFSA-N 1 3 294.483 3.332 20 0 CGADHO [NH3+][C@H](C[C@H]1CCCN(C/C=C/Cl)C1)C1CCCC1 ZINC000872156452 634068139 /nfs/dbraw/zinc/06/81/39/634068139.db2.gz JXUKUDJOGHGFCF-DJRXTCLHSA-N 1 3 270.848 3.359 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000841055511 635115415 /nfs/dbraw/zinc/11/54/15/635115415.db2.gz OVYHXYPULNNNMZ-KGLIPLIRSA-N 1 3 298.377 3.264 20 0 CGADHO Cc1cnc(CN(CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000877767452 635193371 /nfs/dbraw/zinc/19/33/71/635193371.db2.gz JZSMAGSTNIAIGO-UHFFFAOYSA-N 1 3 295.496 3.251 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159812 635385623 /nfs/dbraw/zinc/38/56/23/635385623.db2.gz WSRCBKZVIQUCPM-CVEARBPZSA-N 1 3 296.499 3.244 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159812 635385629 /nfs/dbraw/zinc/38/56/29/635385629.db2.gz WSRCBKZVIQUCPM-CVEARBPZSA-N 1 3 296.499 3.244 20 0 CGADHO [NH3+]CCCCCCNCc1nc(-c2ccccc2)cs1 ZINC000843127960 635562586 /nfs/dbraw/zinc/56/25/86/635562586.db2.gz SFTLBUVHAVKJCN-UHFFFAOYSA-N 1 3 289.448 3.419 20 0 CGADHO C[C@H](NCCC[C@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000844922958 635985231 /nfs/dbraw/zinc/98/52/31/635985231.db2.gz DPLQKDXCDFMACE-SDDRHHMPSA-N 1 3 279.255 3.081 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539331 636017555 /nfs/dbraw/zinc/01/75/55/636017555.db2.gz VMHCPMWRSQMZTB-MPGHIAIKSA-N 1 3 270.420 3.405 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539331 636017558 /nfs/dbraw/zinc/01/75/58/636017558.db2.gz VMHCPMWRSQMZTB-MPGHIAIKSA-N 1 3 270.420 3.405 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2ccsc2)c2ccccc21 ZINC000132053795 636778796 /nfs/dbraw/zinc/77/87/96/636778796.db2.gz YYFXGLVVAYDUFY-CABCVRRESA-N 1 3 258.390 3.025 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437365 637062998 /nfs/dbraw/zinc/06/29/98/637062998.db2.gz LVDFAFOHRQUOOW-GRDNDAEWSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437365 637063002 /nfs/dbraw/zinc/06/30/02/637063002.db2.gz LVDFAFOHRQUOOW-GRDNDAEWSA-N 1 3 288.435 3.145 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000886062529 637396303 /nfs/dbraw/zinc/39/63/03/637396303.db2.gz QSFPNCDZIRTCLY-YESZJQIVSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924571383 638364306 /nfs/dbraw/zinc/36/43/06/638364306.db2.gz FYMUGYXKLGRQIC-MAUKXSAKSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924571381 638364511 /nfs/dbraw/zinc/36/45/11/638364511.db2.gz FYMUGYXKLGRQIC-CRAIPNDOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CC3(C2)CCCC3)C[C@@H](C)O1 ZINC000925439009 638503277 /nfs/dbraw/zinc/50/32/77/638503277.db2.gz HCUPSXHVTPLWIJ-HZPDHXFCSA-N 1 3 294.483 3.188 20 0 CGADHO C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)COC1CCCC1 ZINC000925533218 638521395 /nfs/dbraw/zinc/52/13/95/638521395.db2.gz YZLLCJFYJOAEGM-QZTJIDSGSA-N 1 3 294.483 3.094 20 0 CGADHO FC(F)(F)C1(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925669910 638563437 /nfs/dbraw/zinc/56/34/37/638563437.db2.gz HCVPJZXVNNINDK-OLZOCXBDSA-N 1 3 290.373 3.087 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925683262 638568735 /nfs/dbraw/zinc/56/87/35/638568735.db2.gz NJECYXKKTQVTNL-RBSFLKMASA-N 1 3 286.410 3.180 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CCCC12CC2)c1ccccc1 ZINC000925719881 638579220 /nfs/dbraw/zinc/57/92/20/638579220.db2.gz VVBVNCRSJXJEGZ-BPUTZDHNSA-N 1 3 258.409 3.245 20 0 CGADHO c1cncc(C[C@H]([NH2+][C@H]2CCNC23CCC3)C2CCCC2)c1 ZINC000925728597 638584354 /nfs/dbraw/zinc/58/43/54/638584354.db2.gz LHNYLTOSVNQEQZ-ROUUACIJSA-N 1 3 299.462 3.057 20 0 CGADHO CC(C)(CN[C@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)F ZINC000925733077 638587160 /nfs/dbraw/zinc/58/71/60/638587160.db2.gz FQPPUSYEJSFNGW-OLZOCXBDSA-N 1 3 268.351 3.402 20 0 CGADHO COc1cc([C@H](C)NCCC(C)(C)[NH3+])ccc1SC ZINC000925739911 638592079 /nfs/dbraw/zinc/59/20/79/638592079.db2.gz BGEJRYPOUOHCEW-NSHDSACASA-N 1 3 282.453 3.195 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccsc1 ZINC000925776899 638609263 /nfs/dbraw/zinc/60/92/63/638609263.db2.gz NSIOHUQDMNXFRY-QWHCGFSZSA-N 1 3 288.407 3.424 20 0 CGADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCC1(F)F)CCC2 ZINC000925784465 638611986 /nfs/dbraw/zinc/61/19/86/638611986.db2.gz RXNMDCTXIWHNFF-IUODEOHRSA-N 1 3 298.352 3.038 20 0 CGADHO COc1ccc2cc([C@@H](C)NC[C@@H]3C[NH2+]C[C@H]3C)ccc2c1 ZINC000925791492 638614814 /nfs/dbraw/zinc/61/48/14/638614814.db2.gz RADJMAXFNFLEBA-LBTNJELSSA-N 1 3 298.430 3.355 20 0 CGADHO C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)N1CCCCC1 ZINC000926143593 638721082 /nfs/dbraw/zinc/72/10/82/638721082.db2.gz NIEKTDYHFUOFBU-HNSVSWJLSA-N 1 3 282.497 3.267 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000926496618 638777891 /nfs/dbraw/zinc/77/78/91/638777891.db2.gz JINTUCDGTYLKKE-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO C([NH2+]C1CC2(C1)CCCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000926739776 638805805 /nfs/dbraw/zinc/80/58/05/638805805.db2.gz YYEPNDGYWBRSMR-INIZCTEOSA-N 1 3 276.468 3.421 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCC2CC=CC2)CC1 ZINC000926952349 638828862 /nfs/dbraw/zinc/82/88/62/638828862.db2.gz TXRKDMYRHUDCTD-UHFFFAOYSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC3(CCC3)O2)CC1 ZINC000927022748 638832998 /nfs/dbraw/zinc/83/29/98/638832998.db2.gz ZYCZDFILEFMYKA-MRXNPFEDSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C1Cc2ccccc2C1 ZINC000035657885 639024259 /nfs/dbraw/zinc/02/42/59/639024259.db2.gz QMZOYHINFVFZRF-HNNXBMFYSA-N 1 3 272.436 3.008 20 0 CGADHO CN1C[C@]2(C)C[NH+](CCc3ccccc3Cl)C[C@@]2(C)C1 ZINC000931305336 639133412 /nfs/dbraw/zinc/13/34/12/639133412.db2.gz DHTIKNGGONJEQY-IAGOWNOFSA-N 1 3 292.854 3.156 20 0 CGADHO CN(Cc1ccc(F)cc1Cl)C1CCC([NH3+])CC1 ZINC000091846566 640725205 /nfs/dbraw/zinc/72/52/05/640725205.db2.gz MJRMCLCKMFHLOO-UHFFFAOYSA-N 1 3 270.779 3.181 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000251745976 640831994 /nfs/dbraw/zinc/83/19/94/640831994.db2.gz QAMYKWKGCKVLSY-CORIIIEPSA-N 1 3 264.438 3.187 20 0 CGADHO CC(C)(C)c1cc(NC=CC2CC[NH2+]CC2)ccn1 ZINC001159240818 806064211 /nfs/dbraw/zinc/06/42/11/806064211.db2.gz ODMZGEQEMDYMNI-UXBLZVDNSA-N 1 3 259.397 3.304 20 0 CGADHO [NH3+]Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1 ZINC001159483701 806110877 /nfs/dbraw/zinc/11/08/77/806110877.db2.gz ARKHXYZXLSGTCB-UHFFFAOYSA-N 1 3 293.414 3.347 20 0 CGADHO Cc1cnccc1Nc1cccc(C2CC[NH2+]CC2)c1 ZINC001159756573 806166985 /nfs/dbraw/zinc/16/69/85/806166985.db2.gz CDMHDOZSQBNXHQ-UHFFFAOYSA-N 1 3 267.376 3.023 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCCc2ccc(F)cc2)C1 ZINC001254328514 806382096 /nfs/dbraw/zinc/38/20/96/806382096.db2.gz MHCSYCKKQQPHOQ-IYBDPMFKSA-N 1 3 292.442 3.326 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNCCc2ccc(F)cc2)C1 ZINC001254328514 806382105 /nfs/dbraw/zinc/38/21/05/806382105.db2.gz MHCSYCKKQQPHOQ-IYBDPMFKSA-N 1 3 292.442 3.326 20 0 CGADHO CN1CCC[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254532543 806444949 /nfs/dbraw/zinc/44/49/49/806444949.db2.gz URQYEYRHOGNRLY-OAGGEKHMSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@@H]([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC001254532543 806444955 /nfs/dbraw/zinc/44/49/55/806444955.db2.gz URQYEYRHOGNRLY-OAGGEKHMSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@H]1CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135945 806551298 /nfs/dbraw/zinc/55/12/98/806551298.db2.gz GKGJOSUMMFZBKE-OWLYRPNTSA-N 1 3 270.420 3.276 20 0 CGADHO C[C@H]1CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135945 806551301 /nfs/dbraw/zinc/55/13/01/806551301.db2.gz GKGJOSUMMFZBKE-OWLYRPNTSA-N 1 3 270.420 3.276 20 0 CGADHO C[C@H](N)c1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255382899 806630255 /nfs/dbraw/zinc/63/02/55/806630255.db2.gz YKSHLDYDMYKTCM-DOTOQJQBSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@H](N)c1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382899 806630259 /nfs/dbraw/zinc/63/02/59/806630259.db2.gz YKSHLDYDMYKTCM-DOTOQJQBSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@H]1CCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397314 806633637 /nfs/dbraw/zinc/63/36/37/806633637.db2.gz FEJVSPSTPHXXBM-DOTOQJQBSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@H]1CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397314 806633644 /nfs/dbraw/zinc/63/36/44/806633644.db2.gz FEJVSPSTPHXXBM-DOTOQJQBSA-N 1 3 258.409 3.135 20 0 CGADHO CN1CC2(C1)CC[NH+]([C@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001255720755 806719009 /nfs/dbraw/zinc/71/90/09/806719009.db2.gz NOCVEAZEFQVGEG-STQMWFEESA-N 1 3 290.373 3.135 20 0 CGADHO Cc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC000384460589 799416206 /nfs/dbraw/zinc/41/62/06/799416206.db2.gz NIOGGOVZWNBIJR-MRXNPFEDSA-N 1 3 276.399 3.098 20 0 CGADHO CC(C)(C)SCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000397293732 799515073 /nfs/dbraw/zinc/51/50/73/799515073.db2.gz YLOYAXIMQOQIEN-KBPBESRZSA-N 1 3 264.438 3.253 20 0 CGADHO C[C@@H]1CCCN(CC[C@H]2CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC000404451774 799577361 /nfs/dbraw/zinc/57/73/61/799577361.db2.gz ZDHJZUBYNKOJOM-WOPDTQHZSA-N 1 3 279.255 3.020 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405440329 799585294 /nfs/dbraw/zinc/58/52/94/799585294.db2.gz VNKIQTJUPKHCDE-BYCMXARLSA-N 1 3 278.827 3.131 20 0 CGADHO Cc1ccccc1C1CC([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000700562762 799872594 /nfs/dbraw/zinc/87/25/94/799872594.db2.gz FGAMPLXTDPOZAD-QQFBHYJXSA-N 1 3 260.425 3.171 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC001255940959 806790338 /nfs/dbraw/zinc/79/03/38/806790338.db2.gz JWJYQDFRBRUOJS-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC001255951333 806794920 /nfs/dbraw/zinc/79/49/20/806794920.db2.gz IUNSLGKSPNKIFI-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]Cc1cccc2cnccc21 ZINC001255954771 806798366 /nfs/dbraw/zinc/79/83/66/806798366.db2.gz ZUORAMOGMJLUJR-HNNXBMFYSA-N 1 3 285.435 3.445 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001255954895 806798706 /nfs/dbraw/zinc/79/87/06/806798706.db2.gz KJLHKTAAGVCIBI-RDTXWAMCSA-N 1 3 292.442 3.393 20 0 CGADHO CCCCCCN1CCN([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255959906 806800203 /nfs/dbraw/zinc/80/02/03/806800203.db2.gz BNNVCLREDJHPJK-SFHVURJKSA-N 1 3 297.531 3.305 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC[C@@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000712738686 800098850 /nfs/dbraw/zinc/09/88/50/800098850.db2.gz BTFLEACBAFEJSI-ZCPGHIKRSA-N 1 3 256.393 3.157 20 0 CGADHO CC(C)OC1CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000715173017 800132288 /nfs/dbraw/zinc/13/22/88/800132288.db2.gz CLMJATQZBZUXEI-VUROTCPHSA-N 1 3 282.472 3.185 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715577331 800140378 /nfs/dbraw/zinc/14/03/78/800140378.db2.gz ACOUJTUQCFZUCU-KBRIMQKVSA-N 1 3 278.415 3.219 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716715511 800179482 /nfs/dbraw/zinc/17/94/82/800179482.db2.gz CIUNHLPCHVDAMN-QTUASDBPSA-N 1 3 284.447 3.285 20 0 CGADHO Cc1ccc2cccc(CNC3CC[NH+](C4CC4)CC3)c2n1 ZINC001256074172 806812445 /nfs/dbraw/zinc/81/24/45/806812445.db2.gz NEXCQIUIZOPWRL-UHFFFAOYSA-N 1 3 295.430 3.260 20 0 CGADHO CC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC(F)(F)C1 ZINC000720994859 800275941 /nfs/dbraw/zinc/27/59/41/800275941.db2.gz KPVLSKXAPBMEDZ-OLZOCXBDSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCN1 ZINC000723665316 800336754 /nfs/dbraw/zinc/33/67/54/800336754.db2.gz XLZPVTIEELKTAV-OXGONZEZSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256358161 806865266 /nfs/dbraw/zinc/86/52/66/806865266.db2.gz CMZSDAJWCIWNFS-BRWVUGGUSA-N 1 3 282.472 3.044 20 0 CGADHO COc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256562220 806916862 /nfs/dbraw/zinc/91/68/62/806916862.db2.gz MYTZSEOTBQNZQH-UHFFFAOYSA-N 1 3 290.451 3.090 20 0 CGADHO CC1(C)CC[C@@H](C[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256685395 806948538 /nfs/dbraw/zinc/94/85/38/806948538.db2.gz DUXHOVZSMXVYRL-KLAILNCOSA-N 1 3 294.483 3.046 20 0 CGADHO CCC1CCC([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001256870730 806996233 /nfs/dbraw/zinc/99/62/33/806996233.db2.gz RQHCATRXSKTZGE-UHFFFAOYSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]([NH3+])c1ccc(NCC2CN(Cc3ccccc3)C2)cc1 ZINC001165453809 807004612 /nfs/dbraw/zinc/00/46/12/807004612.db2.gz KAASIYKYVNSDKY-HNNXBMFYSA-N 1 3 295.430 3.250 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C)CCN1 ZINC001246066586 804106198 /nfs/dbraw/zinc/10/61/98/804106198.db2.gz RQUBCYMDKHPIMW-JJXSEGSLSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246074293 804111537 /nfs/dbraw/zinc/11/15/37/804111537.db2.gz NHSAAXIZPQEIEO-JKSUJKDBSA-N 1 3 278.415 3.125 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246080055 804117404 /nfs/dbraw/zinc/11/74/04/804117404.db2.gz HMAPRLDBOUEOST-GJZGRUSLSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097566 804130638 /nfs/dbraw/zinc/13/06/38/804130638.db2.gz YSYVUQRISJXTQR-SUJAAXHWSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001246102162 804135201 /nfs/dbraw/zinc/13/52/01/804135201.db2.gz RGGJEYLXZJKROP-JHJVBQTASA-N 1 3 298.883 3.408 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107398 804140058 /nfs/dbraw/zinc/14/00/58/804140058.db2.gz AWNVFEPWPPCSNH-YESZJQIVSA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246142179 804165437 /nfs/dbraw/zinc/16/54/37/804165437.db2.gz FEMNLPFBPVWBNQ-MLHJIOFPSA-N 1 3 296.499 3.196 20 0 CGADHO C[NH2+]CC[C@H](C)NCCc1c(Cl)cccc1Cl ZINC001246158080 804173453 /nfs/dbraw/zinc/17/34/53/804173453.db2.gz FWIATVOHKSSONQ-JTQLQIEISA-N 1 3 275.223 3.124 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246172699 804187327 /nfs/dbraw/zinc/18/73/27/804187327.db2.gz DLIGTYWZDLRDNQ-JKSUJKDBSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1CC([NH2+]CCCOc2ccc(Cl)cc2)C[C@H](C)N1 ZINC001246180022 804193812 /nfs/dbraw/zinc/19/38/12/804193812.db2.gz OHQSZSGKUFAKKI-STQMWFEESA-N 1 3 296.842 3.228 20 0 CGADHO C[C@]1(N[C@@H]2CCC[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246188155 804198675 /nfs/dbraw/zinc/19/86/75/804198675.db2.gz HSLJDFOPQKEYJO-KSZLIROESA-N 1 3 272.436 3.445 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N[C@@]1(C)CCC[NH2+]C1 ZINC001246192039 804199679 /nfs/dbraw/zinc/19/96/79/804199679.db2.gz YBCXDQJCIUFJIS-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)[NH2+][C@H]3C[C@H](N)C3)ccc2c1 ZINC001246189570 804200741 /nfs/dbraw/zinc/20/07/41/804200741.db2.gz NVZQTDRKVHPIMR-FSPWUOQZSA-N 1 3 298.430 3.249 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)N[C@H]3C[C@H]([NH3+])C3)ccc2c1 ZINC001246189570 804200749 /nfs/dbraw/zinc/20/07/49/804200749.db2.gz NVZQTDRKVHPIMR-FSPWUOQZSA-N 1 3 298.430 3.249 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246209273 804208294 /nfs/dbraw/zinc/20/82/94/804208294.db2.gz GQJAIVAJCYMUET-QZWWFDLISA-N 1 3 272.436 3.299 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246223470 804217172 /nfs/dbraw/zinc/21/71/72/804217172.db2.gz QXNGHQGGXCTCBI-QLFBSQMISA-N 1 3 258.425 3.273 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC001246239366 804231986 /nfs/dbraw/zinc/23/19/86/804231986.db2.gz NCNCBZMKNUEIDU-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC(C)(C)C1 ZINC001246252256 804238482 /nfs/dbraw/zinc/23/84/82/804238482.db2.gz UUXTWMFXLPEDBX-OWYFMNJBSA-N 1 3 264.457 3.464 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255816 804240654 /nfs/dbraw/zinc/24/06/54/804240654.db2.gz CNAXNYBBLSFEKF-JKSUJKDBSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1C[C@@H](NCCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246262284 804244754 /nfs/dbraw/zinc/24/47/54/804244754.db2.gz BWUCBWIZXRACEC-HZMBPMFUSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CCN1 ZINC001246262284 804244759 /nfs/dbraw/zinc/24/47/59/804244759.db2.gz BWUCBWIZXRACEC-HZMBPMFUSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1CC([NH2+]CCCc2cccc(Cl)c2)C[C@H](C)N1 ZINC001246261788 804244771 /nfs/dbraw/zinc/24/47/71/804244771.db2.gz WNXAJRWFYIZHAS-STQMWFEESA-N 1 3 280.843 3.391 20 0 CGADHO CCC[NH2+]CCN[C@@H]1CCCC2(CCCCC2)C1 ZINC001246273335 804249938 /nfs/dbraw/zinc/24/99/38/804249938.db2.gz ZEDZJTRWNYAEAN-OAHLLOKOSA-N 1 3 252.446 3.469 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[C@H]1[NH3+] ZINC001246279942 804254572 /nfs/dbraw/zinc/25/45/72/804254572.db2.gz OITYYIYWMUMDHI-HONMWMINSA-N 1 3 286.341 3.106 20 0 CGADHO C[C@H](CCN)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246301277 804268474 /nfs/dbraw/zinc/26/84/74/804268474.db2.gz QZRULHOZJDJPPQ-SKDRFNHKSA-N 1 3 287.234 3.178 20 0 CGADHO CC[C@@H]1CC(N[C@@H]2CC23CCCC3)C[C@@H](CC)[NH2+]1 ZINC001246333631 804288467 /nfs/dbraw/zinc/28/84/67/804288467.db2.gz KVVWRCVAVWFFQD-UMVBOHGHSA-N 1 3 250.430 3.218 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@@H](C[NH3+])C(C)(C)C ZINC001246344947 804295595 /nfs/dbraw/zinc/29/55/95/804295595.db2.gz LKHVBORTGPIONL-YGRLFVJLSA-N 1 3 286.822 3.373 20 0 CGADHO CC(C)([NH2+][C@@H]1CCNC(C)(C)C1)C1CCCCC1 ZINC001246351785 804299318 /nfs/dbraw/zinc/29/93/18/804299318.db2.gz IMDGILGBZJPJJW-CQSZACIVSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C(C)(C)C2CCCCC2)CCN1 ZINC001246357136 804302004 /nfs/dbraw/zinc/30/20/04/804302004.db2.gz WPQGYWQQWATBIM-CABCVRRESA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246364623 804306931 /nfs/dbraw/zinc/30/69/31/804306931.db2.gz SWXOOJLKZHZMJM-LXTVHRRPSA-N 1 3 252.446 3.321 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001246377315 804311156 /nfs/dbraw/zinc/31/11/56/804311156.db2.gz NKCHJBREFXQRTF-JKSUJKDBSA-N 1 3 292.854 3.175 20 0 CGADHO CCCC[C@@H](C)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246377921 804312158 /nfs/dbraw/zinc/31/21/58/804312158.db2.gz SGEKXRCWZUNJAK-OAHLLOKOSA-N 1 3 290.451 3.442 20 0 CGADHO CCC[C@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381308 804313892 /nfs/dbraw/zinc/31/38/92/804313892.db2.gz OUYZFOAZMVSPFT-AWEZNQCLSA-N 1 3 278.415 3.269 20 0 CGADHO CCC[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246388703 804317665 /nfs/dbraw/zinc/31/76/65/804317665.db2.gz GBGIBDSXQZHRLB-AWEZNQCLSA-N 1 3 278.415 3.269 20 0 CGADHO CC[C@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428133 804330212 /nfs/dbraw/zinc/33/02/12/804330212.db2.gz ITSOZKRHFJAZJW-ZDUSSCGKSA-N 1 3 280.843 3.393 20 0 CGADHO CCCC[C@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246432811 804330971 /nfs/dbraw/zinc/33/09/71/804330971.db2.gz YEGWUELJIBODRI-HNNXBMFYSA-N 1 3 260.425 3.434 20 0 CGADHO C[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246433892 804332287 /nfs/dbraw/zinc/33/22/87/804332287.db2.gz KSJNNYZPURUTAG-HIFRSBDPSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)CCN1 ZINC001246433892 804332296 /nfs/dbraw/zinc/33/22/96/804332296.db2.gz KSJNNYZPURUTAG-HIFRSBDPSA-N 1 3 276.399 3.021 20 0 CGADHO CCC[C@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246438222 804333377 /nfs/dbraw/zinc/33/33/77/804333377.db2.gz RNKVVZNPSNKION-ZDUSSCGKSA-N 1 3 264.388 3.183 20 0 CGADHO CC1(C)C[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246440077 804334000 /nfs/dbraw/zinc/33/40/00/804334000.db2.gz QYLYENFYPSJDOA-OAHLLOKOSA-N 1 3 290.426 3.269 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246458482 804339348 /nfs/dbraw/zinc/33/93/48/804339348.db2.gz GKNSQVAVGULLPE-YESZJQIVSA-N 1 3 260.425 3.257 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246458482 804339354 /nfs/dbraw/zinc/33/93/54/804339354.db2.gz GKNSQVAVGULLPE-YESZJQIVSA-N 1 3 260.425 3.257 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246458483 804340038 /nfs/dbraw/zinc/34/00/38/804340038.db2.gz GKNSQVAVGULLPE-ZACQAIPSSA-N 1 3 260.425 3.257 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246458483 804340047 /nfs/dbraw/zinc/34/00/47/804340047.db2.gz GKNSQVAVGULLPE-ZACQAIPSSA-N 1 3 260.425 3.257 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246463003 804344993 /nfs/dbraw/zinc/34/49/93/804344993.db2.gz UIMDLWKHXVXFJV-QAETUUGQSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246463003 804345001 /nfs/dbraw/zinc/34/50/01/804345001.db2.gz UIMDLWKHXVXFJV-QAETUUGQSA-N 1 3 258.409 3.053 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCNCC12CC2 ZINC001246474617 804350586 /nfs/dbraw/zinc/35/05/86/804350586.db2.gz RHEZTWDWFUIOCP-IRXDYDNUSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246476330 804352399 /nfs/dbraw/zinc/35/23/99/804352399.db2.gz ZGUQWSZGDSFEGT-IUODEOHRSA-N 1 3 278.827 3.003 20 0 CGADHO C1CC12CNCC[C@H]2[NH2+]C1CCC2(CCCC2)CC1 ZINC001246475185 804352889 /nfs/dbraw/zinc/35/28/89/804352889.db2.gz SGEVNDBODODLMW-OAHLLOKOSA-N 1 3 262.441 3.221 20 0 CGADHO CCCC[C@@H](CCC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246495706 804360041 /nfs/dbraw/zinc/36/00/41/804360041.db2.gz QFLWBMYDZMCBBV-QGZVFWFLSA-N 1 3 291.483 3.387 20 0 CGADHO CCCCCC[C@@H](CCC)N[C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246496187 804360551 /nfs/dbraw/zinc/36/05/51/804360551.db2.gz SWKGQERQBYPQMG-WCVJEAGWSA-N 1 3 252.446 3.466 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+][C@H]1C[C@@H]2CN[C@H]1C2 ZINC001246496187 804360557 /nfs/dbraw/zinc/36/05/57/804360557.db2.gz SWKGQERQBYPQMG-WCVJEAGWSA-N 1 3 252.446 3.466 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+][C@H](C3CCC3)C3CNC3)C2)cc1 ZINC001246513355 804366694 /nfs/dbraw/zinc/36/66/94/804366694.db2.gz DFFSXMWGSZYRPV-NZSAHSFTSA-N 1 3 284.447 3.300 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C2CCC2)C2CNC2)cc1 ZINC001246512128 804366857 /nfs/dbraw/zinc/36/68/57/804366857.db2.gz ARJXLCIBLRVMNJ-BEFAXECRSA-N 1 3 286.463 3.294 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246513891 804368932 /nfs/dbraw/zinc/36/89/32/804368932.db2.gz FUPNPNQRGPAXCE-VBNZEHGJSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246515222 804369496 /nfs/dbraw/zinc/36/94/96/804369496.db2.gz KPFMSIVCJWAWQQ-BBRMVZONSA-N 1 3 252.446 3.179 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246518883 804371144 /nfs/dbraw/zinc/37/11/44/804371144.db2.gz QBHXXGLJYCCNAY-RBUKOAKNSA-N 1 3 286.463 3.376 20 0 CGADHO CC1(C)C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246519277 804371313 /nfs/dbraw/zinc/37/13/13/804371313.db2.gz LPYSHTSRRXQRLG-SFHVURJKSA-N 1 3 286.463 3.472 20 0 CGADHO C[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246520186 804374541 /nfs/dbraw/zinc/37/45/41/804374541.db2.gz RNKZWHVXISXZMZ-UXHICEINSA-N 1 3 294.442 3.482 20 0 CGADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246520186 804374548 /nfs/dbraw/zinc/37/45/48/804374548.db2.gz RNKZWHVXISXZMZ-UXHICEINSA-N 1 3 294.442 3.482 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246521366 804375888 /nfs/dbraw/zinc/37/58/88/804375888.db2.gz ZTRGAXWDBIJEHI-XEZPLFJOSA-N 1 3 252.446 3.035 20 0 CGADHO c1ccc(C[C@H]2C[C@@H]([NH+]3Cc4ccccc4C3)CCN2)cc1 ZINC001246525971 804379748 /nfs/dbraw/zinc/37/97/48/804379748.db2.gz UQTAEVJNXDTICY-PMACEKPBSA-N 1 3 292.426 3.366 20 0 CGADHO CCC[N@H+](CC1CC1)[C@H]1C[C@@H](CC)N[C@@H](CC)C1 ZINC001246531076 804382694 /nfs/dbraw/zinc/38/26/94/804382694.db2.gz MLPJZSZSDSEBNW-ZSHCYNCHSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[N@@H+](CC1CC1)[C@H]1C[C@@H](CC)N[C@@H](CC)C1 ZINC001246531076 804382702 /nfs/dbraw/zinc/38/27/02/804382702.db2.gz MLPJZSZSDSEBNW-ZSHCYNCHSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@H](C)C2)c1 ZINC001246538821 804388492 /nfs/dbraw/zinc/38/84/92/804388492.db2.gz OFMFDEBGURHIQK-PVAVHDDUSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C)C2)c1 ZINC001246538821 804388499 /nfs/dbraw/zinc/38/84/99/804388499.db2.gz OFMFDEBGURHIQK-PVAVHDDUSA-N 1 3 258.409 3.272 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1ccc(-c2ccncc2)cc1 ZINC001140168228 804393141 /nfs/dbraw/zinc/39/31/41/804393141.db2.gz VCVFYUQDROILPN-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1ccc(-c2ccncc2)cc1 ZINC001140168228 804393150 /nfs/dbraw/zinc/39/31/50/804393150.db2.gz VCVFYUQDROILPN-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO [NH3+]C[C@@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557087 804406544 /nfs/dbraw/zinc/40/65/44/804406544.db2.gz LAIKUALGHPVFTK-OAGGEKHMSA-N 1 3 294.389 3.239 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246562568 804411914 /nfs/dbraw/zinc/41/19/14/804411914.db2.gz YLOJQEAXWKBZRP-OLZOCXBDSA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246562568 804411916 /nfs/dbraw/zinc/41/19/16/804411916.db2.gz YLOJQEAXWKBZRP-OLZOCXBDSA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@H](CCC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562568 804411919 /nfs/dbraw/zinc/41/19/19/804411919.db2.gz YLOJQEAXWKBZRP-OLZOCXBDSA-N 1 3 262.388 3.261 20 0 CGADHO CC[C@@H](Cc1ccccc1)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576379 804422353 /nfs/dbraw/zinc/42/23/53/804422353.db2.gz JYCWZAKZOKLBQF-DLBZAZTESA-N 1 3 278.415 3.161 20 0 CGADHO CC(C)[N@H+](C1CCC(C)CC1)[C@@H]1CCCNCC1 ZINC001246592573 804433749 /nfs/dbraw/zinc/43/37/49/804433749.db2.gz KOBUNZUGBASNOB-HWOWSKLDSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+](C1CCC(C)CC1)[C@@H]1CCCNCC1 ZINC001246592573 804433755 /nfs/dbraw/zinc/43/37/55/804433755.db2.gz KOBUNZUGBASNOB-HWOWSKLDSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246592386 804433787 /nfs/dbraw/zinc/43/37/87/804433787.db2.gz QLKHEVFAYSSLMK-HZSPNIEDSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@]1(F)CCN(C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1F ZINC001246591804 804434127 /nfs/dbraw/zinc/43/41/27/804434127.db2.gz XSLZFWODBCSSAO-FYRZTWFESA-N 1 3 286.410 3.071 20 0 CGADHO CC(C)[N@H+]([C@H]1CCC(C)(C)C1)[C@H]1CCCNCC1 ZINC001246597608 804437339 /nfs/dbraw/zinc/43/73/39/804437339.db2.gz XSAZPJHJVMBJQJ-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCC(C)(C)C1)[C@H]1CCCNCC1 ZINC001246597608 804437342 /nfs/dbraw/zinc/43/73/42/804437342.db2.gz XSAZPJHJVMBJQJ-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]1CC([N@@H+]2CCC[C@@]23CCCNC3)C[C@H](C)C1 ZINC001246606250 804441486 /nfs/dbraw/zinc/44/14/86/804441486.db2.gz DJDFKLRVHHASLF-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1CC([N@H+]2CCC[C@@]23CCCNC3)C[C@H](C)C1 ZINC001246606250 804441492 /nfs/dbraw/zinc/44/14/92/804441492.db2.gz DJDFKLRVHHASLF-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@]4(C3)CCCNC4)C2)cc1 ZINC001246613876 804448388 /nfs/dbraw/zinc/44/83/88/804448388.db2.gz ZJEYLJGIXLHPLR-GUDVDZBRSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@]4(C3)CCCNC4)C2)cc1 ZINC001246613876 804448394 /nfs/dbraw/zinc/44/83/94/804448394.db2.gz ZJEYLJGIXLHPLR-GUDVDZBRSA-N 1 3 284.447 3.398 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@]3(CCCCN3)C2)C[C@@H](C)C1 ZINC001246616286 804449713 /nfs/dbraw/zinc/44/97/13/804449713.db2.gz VDOGFEKNIKNOAB-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCCCN3)C2)C[C@@H](C)C1 ZINC001246616286 804449719 /nfs/dbraw/zinc/44/97/19/804449719.db2.gz VDOGFEKNIKNOAB-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246616286 804449722 /nfs/dbraw/zinc/44/97/22/804449722.db2.gz VDOGFEKNIKNOAB-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc(C[C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246623609 804455411 /nfs/dbraw/zinc/45/54/11/804455411.db2.gz AWMBIEOANFNTGL-SJLPKXTDSA-N 1 3 272.436 3.002 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629020 804460781 /nfs/dbraw/zinc/46/07/81/804460781.db2.gz MOHIHVQAFPSJRF-HRCADAONSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629020 804460785 /nfs/dbraw/zinc/46/07/85/804460785.db2.gz MOHIHVQAFPSJRF-HRCADAONSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CC2(C1)CC[NH2+]CC2 ZINC001246636780 804465325 /nfs/dbraw/zinc/46/53/25/804465325.db2.gz FEZIKOBVVTZGRN-LBPRGKRZSA-N 1 3 296.817 3.096 20 0 CGADHO CC1(C)C[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246641874 804468585 /nfs/dbraw/zinc/46/85/85/804468585.db2.gz AFNOOEOKKMPFTF-QGZVFWFLSA-N 1 3 298.474 3.497 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CCC12CCNCC2 ZINC001246644988 804472048 /nfs/dbraw/zinc/47/20/48/804472048.db2.gz ZZHAYKVABMIIFH-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CCC12CCNCC2 ZINC001246644988 804472049 /nfs/dbraw/zinc/47/20/49/804472049.db2.gz ZZHAYKVABMIIFH-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC[C@@H](C)N1CCCC[C@]12CCC[NH2+]C2 ZINC001246649573 804477318 /nfs/dbraw/zinc/47/73/18/804477318.db2.gz CXVCLWFDIGIKEX-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@@H](C)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001246649573 804477321 /nfs/dbraw/zinc/47/73/21/804477321.db2.gz CXVCLWFDIGIKEX-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@@H](C)[N@H+]1CCCC[C@]12CCCNC2 ZINC001246649573 804477324 /nfs/dbraw/zinc/47/73/24/804477324.db2.gz CXVCLWFDIGIKEX-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@]23CCCNC3)C[C@H]1C ZINC001246649787 804477336 /nfs/dbraw/zinc/47/73/36/804477336.db2.gz FATVUNBIFQKBIY-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CCCNC3)C[C@H]1C ZINC001246649787 804477341 /nfs/dbraw/zinc/47/73/41/804477341.db2.gz FATVUNBIFQKBIY-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)N1CCCCC12CC[NH2+]CC2 ZINC001246648849 804477585 /nfs/dbraw/zinc/47/75/85/804477585.db2.gz RUXGSQFCEVQOAW-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCCC12CCNCC2 ZINC001246648849 804477587 /nfs/dbraw/zinc/47/75/87/804477587.db2.gz RUXGSQFCEVQOAW-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCCC12CCNCC2 ZINC001246648849 804477590 /nfs/dbraw/zinc/47/75/90/804477590.db2.gz RUXGSQFCEVQOAW-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO CC1(C)CCC[C@@H]([N@@H+]2CCCC23CCNCC3)C1 ZINC001246656530 804481914 /nfs/dbraw/zinc/48/19/14/804481914.db2.gz UQKFWHMALSLJJA-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@@H]([N@H+]2CCCC23CCNCC3)C1 ZINC001246656530 804481923 /nfs/dbraw/zinc/48/19/23/804481923.db2.gz UQKFWHMALSLJJA-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@H]([N@@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)C1 ZINC001246657519 804482259 /nfs/dbraw/zinc/48/22/59/804482259.db2.gz QZIALHABFLDPIV-OBJOEFQTSA-N 1 3 290.373 3.039 20 0 CGADHO CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)C1 ZINC001246657519 804482261 /nfs/dbraw/zinc/48/22/61/804482261.db2.gz QZIALHABFLDPIV-OBJOEFQTSA-N 1 3 290.373 3.039 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc(OC)cc1C ZINC001140677764 804488323 /nfs/dbraw/zinc/48/83/23/804488323.db2.gz YQMPUDOTXBANTP-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246680779 804494212 /nfs/dbraw/zinc/49/42/12/804494212.db2.gz LFNOGNJVSJIVHA-HLLBOEOZSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246680779 804494214 /nfs/dbraw/zinc/49/42/14/804494214.db2.gz LFNOGNJVSJIVHA-HLLBOEOZSA-N 1 3 258.409 3.272 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246685739 804496207 /nfs/dbraw/zinc/49/62/07/804496207.db2.gz BDWBTAIPRRMSPZ-HRCADAONSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246685739 804496210 /nfs/dbraw/zinc/49/62/10/804496210.db2.gz BDWBTAIPRRMSPZ-HRCADAONSA-N 1 3 270.436 3.369 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246780253 804508742 /nfs/dbraw/zinc/50/87/42/804508742.db2.gz BJQIQQUZMVKWQH-QZTJIDSGSA-N 1 3 286.463 3.254 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246783444 804509439 /nfs/dbraw/zinc/50/94/39/804509439.db2.gz XJPAIHFFQOWWCK-OIISXLGYSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246783444 804509441 /nfs/dbraw/zinc/50/94/41/804509441.db2.gz XJPAIHFFQOWWCK-OIISXLGYSA-N 1 3 258.409 3.272 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789679 804514374 /nfs/dbraw/zinc/51/43/74/804514374.db2.gz FAUJSJMWIMWBAG-ZWKOTPCHSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789679 804514377 /nfs/dbraw/zinc/51/43/77/804514377.db2.gz FAUJSJMWIMWBAG-ZWKOTPCHSA-N 1 3 284.447 3.398 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+](CC2CC2)C(C)C)CCN1 ZINC001246791642 804515523 /nfs/dbraw/zinc/51/55/23/804515523.db2.gz RDCIVINOXLSYNQ-HOTGVXAUSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+](CC2CC2)C(C)C)CCN1 ZINC001246791642 804515526 /nfs/dbraw/zinc/51/55/26/804515526.db2.gz RDCIVINOXLSYNQ-HOTGVXAUSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H]1CCC[N@@H+]1[C@H]1CCNC2(CCCCC2)C1 ZINC001246803488 804523917 /nfs/dbraw/zinc/52/39/17/804523917.db2.gz KZGQQULDRWWSCQ-GJZGRUSLSA-N 1 3 250.430 3.316 20 0 CGADHO CC[C@H]1CCC[N@H+]1[C@H]1CCNC2(CCCCC2)C1 ZINC001246803488 804523922 /nfs/dbraw/zinc/52/39/22/804523922.db2.gz KZGQQULDRWWSCQ-GJZGRUSLSA-N 1 3 250.430 3.316 20 0 CGADHO C[N@H+](CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246820534 804535283 /nfs/dbraw/zinc/53/52/83/804535283.db2.gz GVDFRYAFISKYPW-BJWYYQGGSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246820534 804535289 /nfs/dbraw/zinc/53/52/89/804535289.db2.gz GVDFRYAFISKYPW-BJWYYQGGSA-N 1 3 292.854 3.487 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829532 804540127 /nfs/dbraw/zinc/54/01/27/804540127.db2.gz KWSYJQJSDHIRTP-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829532 804540133 /nfs/dbraw/zinc/54/01/33/804540133.db2.gz KWSYJQJSDHIRTP-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCNC3(CCCCC3)C2)C1 ZINC001246843290 804551774 /nfs/dbraw/zinc/55/17/74/804551774.db2.gz VPAUVIFKBKEIOS-XHSDSOJGSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCNC3(CCCCC3)C2)C1 ZINC001246843290 804551779 /nfs/dbraw/zinc/55/17/79/804551779.db2.gz VPAUVIFKBKEIOS-XHSDSOJGSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246874014 804573265 /nfs/dbraw/zinc/57/32/65/804573265.db2.gz HWPODQMIVVIHCZ-GJZGRUSLSA-N 1 3 290.476 3.384 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH+]2CCCNCCC2)cc1 ZINC001246905897 804589462 /nfs/dbraw/zinc/58/94/62/804589462.db2.gz OMWKZCRMYMYJLM-MRXNPFEDSA-N 1 3 260.425 3.002 20 0 CGADHO CCCCCC[C@H](CC)[N@H+](CCOC)[C@@H]1CCCNC1 ZINC001246927644 804605618 /nfs/dbraw/zinc/60/56/18/804605618.db2.gz HTGKLWURSSDHLS-DLBZAZTESA-N 1 3 284.488 3.436 20 0 CGADHO CCCCCC[C@H](CC)[N@@H+](CCOC)[C@@H]1CCCNC1 ZINC001246927644 804605621 /nfs/dbraw/zinc/60/56/21/804605621.db2.gz HTGKLWURSSDHLS-DLBZAZTESA-N 1 3 284.488 3.436 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001246978532 804626199 /nfs/dbraw/zinc/62/61/99/804626199.db2.gz VWXDFFJNRBHWGH-FTYZYXLQSA-N 1 3 296.817 3.079 20 0 CGADHO C[NH+](C)CC1CCN(Cc2coc3ccc(F)cc23)CC1 ZINC001141852547 804674270 /nfs/dbraw/zinc/67/42/70/804674270.db2.gz HWCQGNSWMDWLRG-UHFFFAOYSA-N 1 3 290.382 3.346 20 0 CGADHO Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c(C)c1Cl ZINC001250203739 805487337 /nfs/dbraw/zinc/48/73/37/805487337.db2.gz MHZTVQUBVKPQEC-UHFFFAOYSA-N 1 3 292.854 3.484 20 0 CGADHO CCCC[C@H](CC)[NH+]1CC2(C1)CCN(CC1CC1)C2 ZINC001257422250 807147434 /nfs/dbraw/zinc/14/74/34/807147434.db2.gz SXCVDMSERZUSPM-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1ccc2c(ccc(C)c2CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001167100894 807150447 /nfs/dbraw/zinc/15/04/47/807150447.db2.gz QBHUFIIMQOKCFJ-IAGOWNOFSA-N 1 3 280.415 3.108 20 0 CGADHO CC(C)CN1CCC([NH2+]CCCc2cccs2)CC1 ZINC001258002421 807263175 /nfs/dbraw/zinc/26/31/75/807263175.db2.gz JYYJAHHWXMAFNN-UHFFFAOYSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)C ZINC001167964734 807288488 /nfs/dbraw/zinc/28/84/88/807288488.db2.gz WYRCDUYRKCAKGW-WWTUQBGBSA-N 1 3 264.457 3.416 20 0 CGADHO CC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168191495 807342687 /nfs/dbraw/zinc/34/26/87/807342687.db2.gz FUKZHTWHXDKSPT-CWRNSKLLSA-N 1 3 292.854 3.155 20 0 CGADHO CC[N@@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168191495 807342695 /nfs/dbraw/zinc/34/26/95/807342695.db2.gz FUKZHTWHXDKSPT-CWRNSKLLSA-N 1 3 292.854 3.155 20 0 CGADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(C2CCC(C)CC2)CC1 ZINC001168220532 807354849 /nfs/dbraw/zinc/35/48/49/807354849.db2.gz WMMCMDAOWBUUNZ-LEOMRAHMSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(C2CCC(C)CC2)CC1 ZINC001168220532 807354856 /nfs/dbraw/zinc/35/48/56/807354856.db2.gz WMMCMDAOWBUUNZ-LEOMRAHMSA-N 1 3 294.483 3.140 20 0 CGADHO CCN(C)C1CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC001258295167 807401908 /nfs/dbraw/zinc/40/19/08/807401908.db2.gz XWJGJAVRMYVDSZ-OAHLLOKOSA-N 1 3 252.446 3.371 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001258333318 807414763 /nfs/dbraw/zinc/41/47/63/807414763.db2.gz LZPHYIKWNFMREY-IHRRRGAJSA-N 1 3 272.502 3.369 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CC(C)(C)SC)C[C@H]2C1 ZINC001258349037 807422683 /nfs/dbraw/zinc/42/26/83/807422683.db2.gz KQUJLIVIKOPDEJ-RRFJBIMHSA-N 1 3 284.513 3.180 20 0 CGADHO COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001258391421 807436751 /nfs/dbraw/zinc/43/67/51/807436751.db2.gz ZVZLVJVQPRJKHK-NVXWUHKLSA-N 1 3 290.451 3.090 20 0 CGADHO C[C@H](CC1CC1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001258471372 807470183 /nfs/dbraw/zinc/47/01/83/807470183.db2.gz ZOHOAVYUJNYFJL-CQSZACIVSA-N 1 3 250.430 3.125 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001258599137 807498139 /nfs/dbraw/zinc/49/81/39/807498139.db2.gz UITPZIPCLQWWOH-QGZVFWFLSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)CCCN ZINC001258649651 807522405 /nfs/dbraw/zinc/52/24/05/807522405.db2.gz NCAXDCYHACLXSR-KRWDZBQOSA-N 1 3 262.441 3.459 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)CCCN ZINC001258649651 807522408 /nfs/dbraw/zinc/52/24/08/807522408.db2.gz NCAXDCYHACLXSR-KRWDZBQOSA-N 1 3 262.441 3.459 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@H]2C1 ZINC001258705214 807559788 /nfs/dbraw/zinc/55/97/88/807559788.db2.gz VRGHLFSLHKLIFE-QBPKDAKJSA-N 1 3 278.484 3.475 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169096178 807573446 /nfs/dbraw/zinc/57/34/46/807573446.db2.gz VMNZICGZCCPDDQ-OSYLJGHBSA-N 1 3 288.435 3.189 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC001169096194 807573788 /nfs/dbraw/zinc/57/37/88/807573788.db2.gz VOMWFYICLSZREA-QKDCVEJESA-N 1 3 280.362 3.339 20 0 CGADHO C=Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169098423 807575426 /nfs/dbraw/zinc/57/54/26/807575426.db2.gz HYADEEMNMOQAMN-BJWYYQGGSA-N 1 3 256.393 3.044 20 0 CGADHO CN(CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148435 807592218 /nfs/dbraw/zinc/59/22/18/807592218.db2.gz YYLKPBAUZVSYKQ-BJWYYQGGSA-N 1 3 292.854 3.440 20 0 CGADHO CN(CCc1cccc(Cl)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148435 807592224 /nfs/dbraw/zinc/59/22/24/807592224.db2.gz YYLKPBAUZVSYKQ-BJWYYQGGSA-N 1 3 292.854 3.440 20 0 CGADHO COc1ccc([C@@H](C)N(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145701 807592995 /nfs/dbraw/zinc/59/29/95/807592995.db2.gz NIPAJVMDSHSRFC-MXASKKJJSA-N 1 3 288.435 3.313 20 0 CGADHO COc1ccc([C@@H](C)N(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145701 807592997 /nfs/dbraw/zinc/59/29/97/807592997.db2.gz NIPAJVMDSHSRFC-MXASKKJJSA-N 1 3 288.435 3.313 20 0 CGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001258826304 807641438 /nfs/dbraw/zinc/64/14/38/807641438.db2.gz CLAXOSGXWTYCQT-XJKSGUPXSA-N 1 3 250.430 3.124 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCC(=O)c1ccc(F)cc1 ZINC001258898250 807668933 /nfs/dbraw/zinc/66/89/33/807668933.db2.gz HIHBAAGKFFBKDX-AWEZNQCLSA-N 1 3 294.414 3.109 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cn(CC(C)C)cn1 ZINC001258905255 807671076 /nfs/dbraw/zinc/67/10/76/807671076.db2.gz QNPLNWUTLWIRRQ-MRXNPFEDSA-N 1 3 294.487 3.139 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001170169521 807783666 /nfs/dbraw/zinc/78/36/66/807783666.db2.gz DPFOHYADRGVDCF-RCCFBDPRSA-N 1 3 290.451 3.227 20 0 CGADHO C[NH+]1CCC2(CCCN2C/C=C/c2cccc(F)c2)CC1 ZINC001262110397 807825676 /nfs/dbraw/zinc/82/56/76/807825676.db2.gz BZIUNAAMPKVLOX-ZZXKWVIFSA-N 1 3 288.410 3.399 20 0 CGADHO Clc1cccc2c1CC[C@H]([NH2+]CCCN1CCCC1)C2 ZINC001171014512 807960241 /nfs/dbraw/zinc/96/02/41/807960241.db2.gz ZEQHUFHXJADTOR-HNNXBMFYSA-N 1 3 292.854 3.273 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073783 807978388 /nfs/dbraw/zinc/97/83/88/807978388.db2.gz HZXJREYADSLBKD-TUKIKUTGSA-N 1 3 299.245 3.320 20 0 CGADHO CCC[N@H+](CCCN)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171097940 807982751 /nfs/dbraw/zinc/98/27/51/807982751.db2.gz ZIGYIWXBGOELOE-MRXNPFEDSA-N 1 3 280.843 3.258 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171097940 807982753 /nfs/dbraw/zinc/98/27/53/807982753.db2.gz ZIGYIWXBGOELOE-MRXNPFEDSA-N 1 3 280.843 3.258 20 0 CGADHO Cc1ncsc1CCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631010 808108046 /nfs/dbraw/zinc/10/80/46/808108046.db2.gz UBFGAMMGMVWEHL-UHFFFAOYSA-N 1 3 295.496 3.235 20 0 CGADHO CC[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641642 808110542 /nfs/dbraw/zinc/11/05/42/808110542.db2.gz RVXCDIZXIALFGT-CYBMUJFWSA-N 1 3 252.446 3.370 20 0 CGADHO CC[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641642 808110544 /nfs/dbraw/zinc/11/05/44/808110544.db2.gz RVXCDIZXIALFGT-CYBMUJFWSA-N 1 3 252.446 3.370 20 0 CGADHO CN1C(C)(C)CC([N@H+](C)CCC2CC2)CC1(C)C ZINC001171643899 808111845 /nfs/dbraw/zinc/11/18/45/808111845.db2.gz XKTJWLBMLJPCLX-UHFFFAOYSA-N 1 3 252.446 3.370 20 0 CGADHO CN1C(C)(C)CC([N@@H+](C)CCC2CC2)CC1(C)C ZINC001171643899 808111846 /nfs/dbraw/zinc/11/18/46/808111846.db2.gz XKTJWLBMLJPCLX-UHFFFAOYSA-N 1 3 252.446 3.370 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccccc31)C2 ZINC001172103988 808175058 /nfs/dbraw/zinc/17/50/58/808175058.db2.gz YOKWKZRSLGRKKK-CUSZFKRNSA-N 1 3 270.420 3.279 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccccc31)C2 ZINC001172103988 808175061 /nfs/dbraw/zinc/17/50/61/808175061.db2.gz YOKWKZRSLGRKKK-CUSZFKRNSA-N 1 3 270.420 3.279 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404898 808293542 /nfs/dbraw/zinc/29/35/42/808293542.db2.gz NRUDJOIYZNRWAV-XHSDSOJGSA-N 1 3 252.446 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404898 808293544 /nfs/dbraw/zinc/29/35/44/808293544.db2.gz NRUDJOIYZNRWAV-XHSDSOJGSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@@H](C)C[NH3+] ZINC001172881255 808474679 /nfs/dbraw/zinc/47/46/79/808474679.db2.gz ZBRVHJJFISQXEA-WDEREUQCSA-N 1 3 272.845 3.005 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172925536 808483723 /nfs/dbraw/zinc/48/37/23/808483723.db2.gz FXWMCYTVOCHGOI-DOTOQJQBSA-N 1 3 282.472 3.187 20 0 CGADHO c1c[nH]c(C[N@H+]2CCC3(C2)CCN(Cc2ccoc2)CC3)c1 ZINC001275943209 808978321 /nfs/dbraw/zinc/97/83/21/808978321.db2.gz CTVGNWNNXDOJPO-UHFFFAOYSA-N 1 3 299.418 3.096 20 0 CGADHO c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(Cc2ccoc2)CC3)c1 ZINC001275943209 808978326 /nfs/dbraw/zinc/97/83/26/808978326.db2.gz CTVGNWNNXDOJPO-UHFFFAOYSA-N 1 3 299.418 3.096 20 0 CGADHO CC[NH+]1CCC(CNCc2cscc2Cl)CC1 ZINC001177737403 809817918 /nfs/dbraw/zinc/81/79/18/809817918.db2.gz OGPSPIUTMKESCC-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc2occc2c1 ZINC001184196177 810181489 /nfs/dbraw/zinc/18/14/89/810181489.db2.gz FLLUDGOPDJOGNS-UHFFFAOYSA-N 1 3 274.408 3.452 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc2occc2c1 ZINC001184196177 810181493 /nfs/dbraw/zinc/18/14/93/810181493.db2.gz FLLUDGOPDJOGNS-UHFFFAOYSA-N 1 3 274.408 3.452 20 0 CGADHO Cc1ccc(CN2CCN(c3cc[nH+]c(C)c3)CC2)c(C)c1 ZINC001203744507 812449723 /nfs/dbraw/zinc/44/97/23/812449723.db2.gz HCXYCLQIXXLVMO-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@H]2C1 ZINC001204002527 812516349 /nfs/dbraw/zinc/51/63/49/812516349.db2.gz SVKRWAVTNYTERT-RTBURBONSA-N 1 3 280.415 3.223 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2ccccc12 ZINC001204045848 812532167 /nfs/dbraw/zinc/53/21/67/812532167.db2.gz LXGSMFJUXSAUNO-UHFFFAOYSA-N 1 3 273.424 3.332 20 0 CGADHO Cc1c(F)cc(F)cc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204735201 812719897 /nfs/dbraw/zinc/71/98/97/812719897.db2.gz NXPANDYPRHZDPU-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO C[C@@]1(N)CCC[N@H+](CCCCCc2ccccc2)C1 ZINC001204939821 812788632 /nfs/dbraw/zinc/78/86/32/812788632.db2.gz ULPWSTYUMJNTKB-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO C[C@@]1(N)CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001204939821 812788636 /nfs/dbraw/zinc/78/86/36/812788636.db2.gz ULPWSTYUMJNTKB-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205101434 812864105 /nfs/dbraw/zinc/86/41/05/812864105.db2.gz FEBAMQPBGJLCDV-SFHVURJKSA-N 1 3 281.403 3.062 20 0 CGADHO CCCCc1ccc(CN2CCC[C@H]([NH3+])CC2)s1 ZINC001205101301 812864385 /nfs/dbraw/zinc/86/43/85/812864385.db2.gz CYHGPUGSHLCDRT-ZDUSSCGKSA-N 1 3 266.454 3.404 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2cccc3c(F)cccc23)CC1 ZINC001205123870 812876353 /nfs/dbraw/zinc/87/63/53/812876353.db2.gz GGJMWPPBBVXZOX-AWEZNQCLSA-N 1 3 272.367 3.292 20 0 CGADHO CC(C)Oc1cccc(CN2CCC[C@](C)([NH3+])CC2)c1 ZINC001205273848 812925635 /nfs/dbraw/zinc/92/56/35/812925635.db2.gz QDLWAGASWWICGS-KRWDZBQOSA-N 1 3 276.424 3.177 20 0 CGADHO Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1F ZINC001205616789 813026381 /nfs/dbraw/zinc/02/63/81/813026381.db2.gz GXMWCOBOTSOXKG-WCQYABFASA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1CCN(Cc2ccsc2Cl)CC[C@@H]1C[NH3+] ZINC001205638828 813039181 /nfs/dbraw/zinc/03/91/81/813039181.db2.gz SHYILGMECFXDQI-GHMZBOCLSA-N 1 3 272.845 3.208 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205904551 813127049 /nfs/dbraw/zinc/12/70/49/813127049.db2.gz VSTXOYVAANXKOO-RHSMWYFYSA-N 1 3 260.425 3.369 20 0 CGADHO CCn1ccc2ccc(CN3CCC[C@H](C[NH3+])[C@H]3C)cc21 ZINC001205905231 813127729 /nfs/dbraw/zinc/12/77/29/813127729.db2.gz ZKRFZJFXENCRLB-RHSMWYFYSA-N 1 3 285.435 3.220 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912624 813130016 /nfs/dbraw/zinc/13/00/16/813130016.db2.gz BFWJSHUINMAGIZ-NEPJUHHUSA-N 1 3 291.826 3.381 20 0 CGADHO C[C@H]1CN(Cc2ccc(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001205993676 813155952 /nfs/dbraw/zinc/15/59/52/813155952.db2.gz IGRSKQFNIJRKJW-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1C[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1N ZINC001206053083 813183231 /nfs/dbraw/zinc/18/32/31/813183231.db2.gz IUUQLRAETVYYBP-QMTHXVAHSA-N 1 3 287.234 3.205 20 0 CGADHO C[C@@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@H]1N ZINC001206053083 813183235 /nfs/dbraw/zinc/18/32/35/813183235.db2.gz IUUQLRAETVYYBP-QMTHXVAHSA-N 1 3 287.234 3.205 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001206064829 813188046 /nfs/dbraw/zinc/18/80/46/813188046.db2.gz GBMVMRWOCRLXJI-DNVCBOLYSA-N 1 3 280.415 3.441 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001206064829 813188049 /nfs/dbraw/zinc/18/80/49/813188049.db2.gz GBMVMRWOCRLXJI-DNVCBOLYSA-N 1 3 280.415 3.441 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC001206304187 813280073 /nfs/dbraw/zinc/28/00/73/813280073.db2.gz GYRWPXXOASHJNJ-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO Cc1cc(F)c(CN2CCC[C@](C)(C[NH3+])CC2)c(F)c1 ZINC001206327785 813291839 /nfs/dbraw/zinc/29/18/39/813291839.db2.gz XTDISMWOXAXXNV-INIZCTEOSA-N 1 3 282.378 3.224 20 0 CGADHO CCOc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)ccc1C ZINC001206573145 813359236 /nfs/dbraw/zinc/35/92/36/813359236.db2.gz IPALATODZAQLFQ-SFHVURJKSA-N 1 3 290.451 3.345 20 0 CGADHO CC(C)N(CCc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206582069 813361491 /nfs/dbraw/zinc/36/14/91/813361491.db2.gz LQPOQYVXSVTTNT-MRXNPFEDSA-N 1 3 278.415 3.221 20 0 CGADHO CC(C)N(Cc1ccccc1N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582726 813363135 /nfs/dbraw/zinc/36/31/35/813363135.db2.gz PCMJTBYRULGXFU-QGZVFWFLSA-N 1 3 289.467 3.105 20 0 CGADHO CC(C)[N@H+](CC1Cc2ccccc2C1)[C@@H]1CCCNCC1 ZINC001206583379 813364817 /nfs/dbraw/zinc/36/48/17/813364817.db2.gz UFDSQRZCMSRLBW-LJQANCHMSA-N 1 3 286.463 3.254 20 0 CGADHO CC(C)[N@@H+](CC1Cc2ccccc2C1)[C@@H]1CCCNCC1 ZINC001206583379 813364825 /nfs/dbraw/zinc/36/48/25/813364825.db2.gz UFDSQRZCMSRLBW-LJQANCHMSA-N 1 3 286.463 3.254 20 0 CGADHO Cc1ncsc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001206989585 813462064 /nfs/dbraw/zinc/46/20/64/813462064.db2.gz JDNFSTQPZVWMMB-UHFFFAOYSA-N 1 3 281.469 3.004 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001207286299 813536015 /nfs/dbraw/zinc/53/60/15/813536015.db2.gz QWJOEAZHYYXFCP-AWEZNQCLSA-N 1 3 278.415 3.203 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001207286299 813536021 /nfs/dbraw/zinc/53/60/21/813536021.db2.gz QWJOEAZHYYXFCP-AWEZNQCLSA-N 1 3 278.415 3.203 20 0 CGADHO CN(CCCc1ccc(F)c(F)c1)CC(C)(C)C[NH+](C)C ZINC001207738599 813642208 /nfs/dbraw/zinc/64/22/08/813642208.db2.gz FFZRWWMZCLJHFD-UHFFFAOYSA-N 1 3 298.421 3.417 20 0 CGADHO Cc1scc(C[N@@H+](C)CC(C)(C)CN(C)C)c1C ZINC001207738716 813642381 /nfs/dbraw/zinc/64/23/81/813642381.db2.gz JFLYTOBSBJDZPO-UHFFFAOYSA-N 1 3 268.470 3.385 20 0 CGADHO Cc1scc(C[N@H+](C)CC(C)(C)CN(C)C)c1C ZINC001207738716 813642385 /nfs/dbraw/zinc/64/23/85/813642385.db2.gz JFLYTOBSBJDZPO-UHFFFAOYSA-N 1 3 268.470 3.385 20 0 CGADHO C[NH+](C)CC1(CN2CCC(C(F)F)CC2)CCCC1 ZINC001208185318 813735207 /nfs/dbraw/zinc/73/52/07/813735207.db2.gz AFSVQRSGDPYJRJ-UHFFFAOYSA-N 1 3 274.399 3.086 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608348 813774142 /nfs/dbraw/zinc/77/41/42/813774142.db2.gz HKOFYLSUDVOWGQ-GJZGRUSLSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608348 813774144 /nfs/dbraw/zinc/77/41/44/813774144.db2.gz HKOFYLSUDVOWGQ-GJZGRUSLSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222230737 816379743 /nfs/dbraw/zinc/37/97/43/816379743.db2.gz CQBLSYKDQVFNAT-FUHWJXTLSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222230737 816379758 /nfs/dbraw/zinc/37/97/58/816379758.db2.gz CQBLSYKDQVFNAT-FUHWJXTLSA-N 1 3 296.499 3.172 20 0 CGADHO CC[C@H](N)C[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001222615702 816479756 /nfs/dbraw/zinc/47/97/56/816479756.db2.gz RYRAJUUINAFOCN-INIZCTEOSA-N 1 3 272.436 3.094 20 0 CGADHO CC[NH+](CC)Cc1ccccc1-c1cccc(CN)n1 ZINC001243336213 823351085 /nfs/dbraw/zinc/35/10/85/823351085.db2.gz YVIKCELVOXWQJE-UHFFFAOYSA-N 1 3 269.392 3.049 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001235031343 818984143 /nfs/dbraw/zinc/98/41/43/818984143.db2.gz FPFIIJXNSKDQSE-LJQANCHMSA-N 1 3 286.463 3.414 20 0 CGADHO Cc1cc(F)cc(Cl)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235106396 819004159 /nfs/dbraw/zinc/00/41/59/819004159.db2.gz MRBYGURNMKRQBY-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO c1ccc(C2(CN3CCC4(CC[NH2+]4)CC3)CCCC2)cc1 ZINC001235106912 819004346 /nfs/dbraw/zinc/00/43/46/819004346.db2.gz UQEXTFWDDKTMLU-UHFFFAOYSA-N 1 3 284.447 3.326 20 0 CGADHO Clc1ccc(CCC[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235140230 819015502 /nfs/dbraw/zinc/01/55/02/819015502.db2.gz HCVLYPTWNWYSPX-UHFFFAOYSA-N 1 3 292.854 3.491 20 0 CGADHO Clc1ccc(CCC[N@H+]2CCCC23CCNCC3)cc1 ZINC001235140230 819015506 /nfs/dbraw/zinc/01/55/06/819015506.db2.gz HCVLYPTWNWYSPX-UHFFFAOYSA-N 1 3 292.854 3.491 20 0 CGADHO Oc1ccc(CN2CCC3(CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001235134072 819015613 /nfs/dbraw/zinc/01/56/13/819015613.db2.gz YFQFCLRBLGIUCS-UHFFFAOYSA-N 1 3 294.826 3.011 20 0 CGADHO c1ccc(C2CC2)c(C[N@@H+]2CCCC23CCNCC3)c1 ZINC001235144114 819015812 /nfs/dbraw/zinc/01/58/12/819015812.db2.gz KFSWAHYGKUDXKY-UHFFFAOYSA-N 1 3 270.420 3.282 20 0 CGADHO c1ccc(C2CC2)c(C[N@H+]2CCCC23CCNCC3)c1 ZINC001235144114 819015816 /nfs/dbraw/zinc/01/58/16/819015816.db2.gz KFSWAHYGKUDXKY-UHFFFAOYSA-N 1 3 270.420 3.282 20 0 CGADHO Cc1cc(Cl)c(Cl)cc1CN1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340801 819071673 /nfs/dbraw/zinc/07/16/73/819071673.db2.gz MMRRGDBBTHALMV-NSHDSACASA-N 1 3 299.245 3.343 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410058 819089713 /nfs/dbraw/zinc/08/97/13/819089713.db2.gz XHFXEVVGXFXALY-QZTJIDSGSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235410058 819089720 /nfs/dbraw/zinc/08/97/20/819089720.db2.gz XHFXEVVGXFXALY-QZTJIDSGSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235410058 819089725 /nfs/dbraw/zinc/08/97/25/819089725.db2.gz XHFXEVVGXFXALY-QZTJIDSGSA-N 1 3 290.426 3.081 20 0 CGADHO c1ccc(C2CCN(CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235442171 819100294 /nfs/dbraw/zinc/10/02/94/819100294.db2.gz RVHAPJVYNLJHEM-GOSISDBHSA-N 1 3 272.436 3.398 20 0 CGADHO c1ccc([C@@H]2CCCN(CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667216 819133592 /nfs/dbraw/zinc/13/35/92/819133592.db2.gz WGLJXGMUAIHZQE-MSOLQXFVSA-N 1 3 272.436 3.398 20 0 CGADHO [NH3+]C[C@H]1CCCN(Cc2ccc(C3CCC3)cc2)C1 ZINC001235676549 819136948 /nfs/dbraw/zinc/13/69/48/819136948.db2.gz SLXDSPQAPDCYRR-OAHLLOKOSA-N 1 3 258.409 3.125 20 0 CGADHO CCN(Cc1ccccc1C(C)C)C1CC[NH2+]CC1 ZINC001235761610 819161605 /nfs/dbraw/zinc/16/16/05/819161605.db2.gz NDNGYBYSLNMERO-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC[N@H+](Cc1ccccc1C(C)C)C1CCNCC1 ZINC001235761610 819161612 /nfs/dbraw/zinc/16/16/12/819161612.db2.gz NDNGYBYSLNMERO-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC[N@@H+](Cc1ccccc1C(C)C)C1CCNCC1 ZINC001235761610 819161615 /nfs/dbraw/zinc/16/16/15/819161615.db2.gz NDNGYBYSLNMERO-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890381 819198929 /nfs/dbraw/zinc/19/89/29/819198929.db2.gz DXPYGZTYTJPBHW-CJNGLKHVSA-N 1 3 254.377 3.103 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890381 819198932 /nfs/dbraw/zinc/19/89/32/819198932.db2.gz DXPYGZTYTJPBHW-CJNGLKHVSA-N 1 3 254.377 3.103 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893974 819203114 /nfs/dbraw/zinc/20/31/14/819203114.db2.gz YVIYXPJOXOAYSC-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893974 819203119 /nfs/dbraw/zinc/20/31/19/819203119.db2.gz YVIYXPJOXOAYSC-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO Fc1cccc2c(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)cccc12 ZINC001235938617 819231988 /nfs/dbraw/zinc/23/19/88/819231988.db2.gz LOHLDMRDCINLPD-UKRRQHHQSA-N 1 3 284.378 3.020 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc2n1CCNC2 ZINC001235960604 819250185 /nfs/dbraw/zinc/25/01/85/819250185.db2.gz UTTPUQPVYKRNMR-SFHVURJKSA-N 1 3 283.419 3.174 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc2n1CCNC2 ZINC001235960604 819250190 /nfs/dbraw/zinc/25/01/90/819250190.db2.gz UTTPUQPVYKRNMR-SFHVURJKSA-N 1 3 283.419 3.174 20 0 CGADHO CSc1cc(C)cc(CN2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236007757 819272203 /nfs/dbraw/zinc/27/22/03/819272203.db2.gz ZNLZRCJNYCBCBZ-UHFFFAOYSA-N 1 3 290.476 3.292 20 0 CGADHO C(C[NH2+]C1CCCCC1)CN1CC[C@@H](COCC2CC2)C1 ZINC001236040404 819280274 /nfs/dbraw/zinc/28/02/74/819280274.db2.gz CBVLQISLVMJGJD-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO CC[C@H]1c2ccccc2CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236061489 819293344 /nfs/dbraw/zinc/29/33/44/819293344.db2.gz YNFLFMGRCKACFM-RDJZCZTQSA-N 1 3 288.435 3.110 20 0 CGADHO C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@@H]1N ZINC001236213756 819376789 /nfs/dbraw/zinc/37/67/89/819376789.db2.gz BFXLWBXRQMMMPV-ZWKOTPCHSA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@@H]1N ZINC001236213756 819376793 /nfs/dbraw/zinc/37/67/93/819376793.db2.gz BFXLWBXRQMMMPV-ZWKOTPCHSA-N 1 3 284.403 3.247 20 0 CGADHO CC(C)=CCC[C@H](C)CC[NH+]1CCCNCCC1 ZINC001236238750 819397927 /nfs/dbraw/zinc/39/79/27/819397927.db2.gz ABUFVAUNUICGLC-INIZCTEOSA-N 1 3 252.446 3.444 20 0 CGADHO c1ccc(C[N@@H+](CCC2CC2)C2CCNCC2)cc1 ZINC001236288433 819414101 /nfs/dbraw/zinc/41/41/01/819414101.db2.gz YWKZWBZKOSPMPR-UHFFFAOYSA-N 1 3 258.409 3.041 20 0 CGADHO c1ccc(C[N@H+](CCC2CC2)C2CCNCC2)cc1 ZINC001236288433 819414105 /nfs/dbraw/zinc/41/41/05/819414105.db2.gz YWKZWBZKOSPMPR-UHFFFAOYSA-N 1 3 258.409 3.041 20 0 CGADHO Clc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236314154 819420864 /nfs/dbraw/zinc/42/08/64/819420864.db2.gz ICKMQFBVAWEXOE-BETUJISGSA-N 1 3 299.245 3.425 20 0 CGADHO CC[C@@H](C)C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236370364 819439244 /nfs/dbraw/zinc/43/92/44/819439244.db2.gz DRIIPMBVPMOMDP-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H](C)C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236370364 819439247 /nfs/dbraw/zinc/43/92/47/819439247.db2.gz DRIIPMBVPMOMDP-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](CC1CCC1)C1CCNCC1 ZINC001236517624 819510952 /nfs/dbraw/zinc/51/09/52/819510952.db2.gz MMAFXROOYVBDDF-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](CC1CCC1)C1CCNCC1 ZINC001236517624 819510960 /nfs/dbraw/zinc/51/09/60/819510960.db2.gz MMAFXROOYVBDDF-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cccc(CCN(C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584543 819546207 /nfs/dbraw/zinc/54/62/07/819546207.db2.gz KXQKQWDQAYHGLY-QGZVFWFLSA-N 1 3 272.436 3.002 20 0 CGADHO C[C@]1(C[NH3+])CCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236616920 819554109 /nfs/dbraw/zinc/55/41/09/819554109.db2.gz SIHLNAVQGRGGGH-HXUWFJFHSA-N 1 3 294.442 3.448 20 0 CGADHO CCCN(Cc1c(C)cc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236833307 819612979 /nfs/dbraw/zinc/61/29/79/819612979.db2.gz ADZSXCJIBKQHAP-QGZVFWFLSA-N 1 3 274.452 3.433 20 0 CGADHO CCCN(Cc1ccccc1-n1cccc1)C[C@@H]1CC[NH2+]C1 ZINC001236841875 819618173 /nfs/dbraw/zinc/61/81/73/819618173.db2.gz AMBKUZCDWSJBCD-QGZVFWFLSA-N 1 3 297.446 3.299 20 0 CGADHO Cc1cccc(CN2CCC3(C[NH+](C)C3)CC2)c1Cl ZINC001236852768 819622468 /nfs/dbraw/zinc/62/24/68/819622468.db2.gz AHOOZMFSBQPMNY-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1ccc(Cl)c(CN(C)CC2CC[NH+](C)CC2)c1 ZINC001238557063 820043215 /nfs/dbraw/zinc/04/32/15/820043215.db2.gz OXQVMDYKORGVQU-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO c1ccc(C2(NC3CCCCC3)CC[NH2+]CC2)cc1 ZINC000200749732 927424448 /nfs/dbraw/zinc/42/44/48/927424448.db2.gz WGSMNXOYEZQRMM-UHFFFAOYSA-N 1 3 258.409 3.188 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001308555033 928531079 /nfs/dbraw/zinc/53/10/79/928531079.db2.gz UHRNGXROPWNZQP-JSRQGNBESA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@H]1CCC[C@@H](C)C1 ZINC001460254200 937522973 /nfs/dbraw/zinc/52/29/73/937522973.db2.gz SOEMLMCSPQNERV-FXUDXRNXSA-N 1 3 252.446 3.275 20 0 CGADHO C[NH+](C)CCC[C@H]1CN(CCCC2CCCCC2)CCO1 ZINC001460537936 937534299 /nfs/dbraw/zinc/53/42/99/937534299.db2.gz QTHMKIMGWYMOAB-SFHVURJKSA-N 1 3 296.499 3.390 20 0 CGADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC001462188299 937624078 /nfs/dbraw/zinc/62/40/78/937624078.db2.gz BWFSHEMWVGDFID-OLZOCXBDSA-N 1 3 280.378 3.427 20 0 CGADHO C[C@@H]([NH2+]CC1CC(C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001334765990 932770408 /nfs/dbraw/zinc/77/04/08/932770408.db2.gz FJGVIUDGLWBRAO-KNIAUWFNSA-N 1 3 264.457 3.275 20 0 CGADHO CC[N@H+](CCCNCC(C)(C)COC)C1CCCCC1 ZINC001308455553 933114130 /nfs/dbraw/zinc/11/41/30/933114130.db2.gz MOBQTXOWPUSHFZ-UHFFFAOYSA-N 1 3 284.488 3.293 20 0 CGADHO CC[N@@H+](CCCNCC(C)(C)COC)C1CCCCC1 ZINC001308455553 933114135 /nfs/dbraw/zinc/11/41/35/933114135.db2.gz MOBQTXOWPUSHFZ-UHFFFAOYSA-N 1 3 284.488 3.293 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001308553118 933130770 /nfs/dbraw/zinc/13/07/70/933130770.db2.gz HCIGSXYQCFXQKT-JSRQGNBESA-N 1 3 264.457 3.131 20 0 CGADHO CCN(CC)CCC[N@H+](CC)CC1Cc2ccccc2C1 ZINC001308744958 933168707 /nfs/dbraw/zinc/16/87/07/933168707.db2.gz LYYIGONOTOMTTL-UHFFFAOYSA-N 1 3 288.479 3.455 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)CC1Cc2ccccc2C1 ZINC001308744958 933168710 /nfs/dbraw/zinc/16/87/10/933168710.db2.gz LYYIGONOTOMTTL-UHFFFAOYSA-N 1 3 288.479 3.455 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CCCc2ccc(F)c(F)c2)C1 ZINC001308864374 933193066 /nfs/dbraw/zinc/19/30/66/933193066.db2.gz PTSQYILLHQELHG-HNNXBMFYSA-N 1 3 296.405 3.219 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC001319282197 933853197 /nfs/dbraw/zinc/85/31/97/933853197.db2.gz HNDZNQOBFLUKNV-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@@H](C)c1ccc(OC)c2ccccc21 ZINC001325745341 934925987 /nfs/dbraw/zinc/92/59/87/934925987.db2.gz XGGHADONCUIMJB-KBPBESRZSA-N 1 3 286.419 3.497 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cnn(-c2ccccc2)c1 ZINC001331835547 935413016 /nfs/dbraw/zinc/41/30/16/935413016.db2.gz QYBSPXLPXICTGN-MPGHIAIKSA-N 1 3 298.434 3.040 20 0 CGADHO FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)C[C@@H]21 ZINC001332879231 935494469 /nfs/dbraw/zinc/49/44/69/935494469.db2.gz PPQNYZVVPHZYNW-CQJMVSDSSA-N 1 3 298.421 3.178 20 0 CGADHO FC(F)(F)CCC[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001333837127 936069953 /nfs/dbraw/zinc/06/99/53/936069953.db2.gz ATZWSHHUNKCQQS-ZDUSSCGKSA-N 1 3 278.362 3.041 20 0 CGADHO COc1ccc(CNCC2CC[NH+](CCC(C)C)CC2)o1 ZINC001336735621 936212097 /nfs/dbraw/zinc/21/20/97/936212097.db2.gz NGSXGWLKDMYPNC-UHFFFAOYSA-N 1 3 294.439 3.136 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001474759804 937879248 /nfs/dbraw/zinc/87/92/48/937879248.db2.gz VRBVTAGTJWXUQC-JKSUJKDBSA-N 1 3 290.451 3.263 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129718 938163155 /nfs/dbraw/zinc/16/31/55/938163155.db2.gz VLUMOIDXUWKFQE-HCXYKTFWSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129718 938163156 /nfs/dbraw/zinc/16/31/56/938163156.db2.gz VLUMOIDXUWKFQE-HCXYKTFWSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129718 938163157 /nfs/dbraw/zinc/16/31/57/938163157.db2.gz VLUMOIDXUWKFQE-HCXYKTFWSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@H]3c3ccccc3)CC[C@H]21 ZINC001550129718 938163158 /nfs/dbraw/zinc/16/31/58/938163158.db2.gz VLUMOIDXUWKFQE-HCXYKTFWSA-N 1 3 284.447 3.206 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389169 938181005 /nfs/dbraw/zinc/18/10/05/938181005.db2.gz JMZWJAKLFGZFQF-RZZCCWGQSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+][C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001552895546 938195069 /nfs/dbraw/zinc/19/50/69/938195069.db2.gz NFLCMIFNFDCKOH-XWTMOSNGSA-N 1 3 288.435 3.156 20 0 CGADHO F[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001553024496 938195763 /nfs/dbraw/zinc/19/57/63/938195763.db2.gz GKXGLHZMMYZVBU-ORQFMDKSSA-N 1 3 282.447 3.273 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3ccccc3F)C1)[NH2+]2 ZINC001553025961 938196004 /nfs/dbraw/zinc/19/60/04/938196004.db2.gz PHMWHOROAXYCKK-YXSAHWQOSA-N 1 3 288.410 3.190 20 0 CGADHO Cc1ccc(CCN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001560108393 938244156 /nfs/dbraw/zinc/24/41/56/938244156.db2.gz BCJKGYMVFLQBSP-QGZVFWFLSA-N 1 3 295.430 3.143 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CCc2ccccc2CC1 ZINC001560262960 938249866 /nfs/dbraw/zinc/24/98/66/938249866.db2.gz MMCLNOPONDWSGM-UHFFFAOYSA-N 1 3 274.452 3.254 20 0 CGADHO C[C@@H](CC[NH2+]C1CC(Sc2ccccc2)C1)N(C)C ZINC001560951276 938285959 /nfs/dbraw/zinc/28/59/59/938285959.db2.gz CEUGURCANMPQCW-HLIUYOAVSA-N 1 3 278.465 3.240 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1 ZINC001561053363 938292140 /nfs/dbraw/zinc/29/21/40/938292140.db2.gz UXWVXSAWJUPFJK-WZGPROSRSA-N 1 3 286.463 3.246 20 0 CGADHO CC1(C)[C@H](NCCSc2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC001576380222 960475819 /nfs/dbraw/zinc/47/58/19/960475819.db2.gz KLFWBRRNZWIIEV-QWHCGFSZSA-N 1 3 284.856 3.148 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+](CC1CC1)C1CCCCC1 ZINC001575421602 962376009 /nfs/dbraw/zinc/37/60/09/962376009.db2.gz ACIYMXRUDMWYQS-HNNXBMFYSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+](CC1CC1)C1CCCCC1 ZINC001575421602 962376015 /nfs/dbraw/zinc/37/60/15/962376015.db2.gz ACIYMXRUDMWYQS-HNNXBMFYSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001575940977 962423349 /nfs/dbraw/zinc/42/33/49/962423349.db2.gz GBHGKTUMSDEDFI-BYNSBNAKSA-N 1 3 294.464 3.088 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC001575941061 962423389 /nfs/dbraw/zinc/42/33/89/962423389.db2.gz IEGJWAMUNMOSQI-IPYPFGDCSA-N 1 3 296.842 3.228 20 0 CGADHO C[C@H](Cc1ccccc1Cl)NC[C@@H]([NH3+])CC(F)(F)F ZINC001576058177 962428438 /nfs/dbraw/zinc/42/84/38/962428438.db2.gz VDNRLOFPBPEXKJ-KOLCDFICSA-N 1 3 294.748 3.140 20 0 CGADHO F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001580027152 962685551 /nfs/dbraw/zinc/68/55/51/962685551.db2.gz KCKYKZMLQJRQMR-XABWRGDLSA-N 1 3 288.410 3.134 20 0 CGADHO [NH3+]C[C@@H]1CCCN(Cc2cccc(CC3CCC3)c2)C1 ZINC001580262908 962709796 /nfs/dbraw/zinc/70/97/96/962709796.db2.gz CKHZKMCUDDMNKM-SFHVURJKSA-N 1 3 272.436 3.200 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000337403470 214059491 /nfs/dbraw/zinc/05/94/91/214059491.db2.gz QYSNUDUFUPUEAA-ROUUACIJSA-N 1 3 290.451 3.043 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(CC)C2)s1 ZINC000621329885 349497091 /nfs/dbraw/zinc/49/70/91/349497091.db2.gz RRKWJXGOOASGFL-CYBMUJFWSA-N 1 3 266.454 3.132 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC12CCOCC2)CN1CCCC1 ZINC000337473387 214104247 /nfs/dbraw/zinc/10/42/47/214104247.db2.gz OFVZHZAYTHHMAL-INIZCTEOSA-N 1 3 294.483 3.047 20 0 CGADHO Cc1cc([C@@H](C)NCCCCC[NH+]2CCCCC2)nn1C ZINC000337518474 214133376 /nfs/dbraw/zinc/13/33/76/214133376.db2.gz NSOSCYBHOOTIMA-MRXNPFEDSA-N 1 3 292.471 3.035 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)s1 ZINC000621717234 349562684 /nfs/dbraw/zinc/56/26/84/349562684.db2.gz ZWOPJWYPJGISAH-CYBMUJFWSA-N 1 3 266.454 3.084 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)s1 ZINC000621717234 349562686 /nfs/dbraw/zinc/56/26/86/349562686.db2.gz ZWOPJWYPJGISAH-CYBMUJFWSA-N 1 3 266.454 3.084 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651911020 398305190 /nfs/dbraw/zinc/30/51/90/398305190.db2.gz XUFFAHRVGVEEIG-UOVPBQLFSA-N 1 3 270.420 3.067 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911020 398305193 /nfs/dbraw/zinc/30/51/93/398305193.db2.gz XUFFAHRVGVEEIG-UOVPBQLFSA-N 1 3 270.420 3.067 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000651910538 398305537 /nfs/dbraw/zinc/30/55/37/398305537.db2.gz XTDJOJIFQSCMGO-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000651910538 398305538 /nfs/dbraw/zinc/30/55/38/398305538.db2.gz XTDJOJIFQSCMGO-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425943895 529424794 /nfs/dbraw/zinc/42/47/94/529424794.db2.gz KTKCEZNFUTZLLA-NVXWUHKLSA-N 1 3 262.441 3.103 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414841288 529425076 /nfs/dbraw/zinc/42/50/76/529425076.db2.gz ZEPAMNCSIXJUFB-HRBLRVMOSA-N 1 3 272.436 3.189 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423461701 529453107 /nfs/dbraw/zinc/45/31/07/529453107.db2.gz KDQZXZGRKBHTLU-XWLWVQCSSA-N 1 3 272.845 3.220 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423461697 529568846 /nfs/dbraw/zinc/56/88/46/529568846.db2.gz KDQZXZGRKBHTLU-CHWFTXMASA-N 1 3 272.845 3.220 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)N)c1cccc(Br)c1 ZINC000423288836 529589792 /nfs/dbraw/zinc/58/97/92/529589792.db2.gz VHZBPRZIIRHMDK-LBPRGKRZSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC1)c1cccc(OC)c1 ZINC000359616223 529597590 /nfs/dbraw/zinc/59/75/90/529597590.db2.gz FLWWLZABFJLPTO-KRWDZBQOSA-N 1 3 276.424 3.222 20 0 CGADHO COc1ccc(C)cc1CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623343213 349783906 /nfs/dbraw/zinc/78/39/06/349783906.db2.gz GBSZIRIJVBVRHP-MRXNPFEDSA-N 1 3 290.451 3.009 20 0 CGADHO COc1ccc(C)cc1CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623343213 349783911 /nfs/dbraw/zinc/78/39/11/349783911.db2.gz GBSZIRIJVBVRHP-MRXNPFEDSA-N 1 3 290.451 3.009 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1cccc(Br)c1 ZINC000423280375 529619294 /nfs/dbraw/zinc/61/92/94/529619294.db2.gz UATVBXWAFWPKJR-KBPBESRZSA-N 1 3 299.256 3.473 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@H]1CCOC1 ZINC000358440338 529665733 /nfs/dbraw/zinc/66/57/33/529665733.db2.gz ACMGFIMCFZRIKB-CBZIJGRNSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000350951587 219071050 /nfs/dbraw/zinc/07/10/50/219071050.db2.gz QFAKRTIAUWJFIX-ZDUSSCGKSA-N 1 3 264.388 3.160 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CC(N)(CC)CC)s1 ZINC000423288063 529721035 /nfs/dbraw/zinc/72/10/35/529721035.db2.gz QHROUNBLMPVVEQ-NSHDSACASA-N 1 3 254.443 3.479 20 0 CGADHO Cc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295038252 199313285 /nfs/dbraw/zinc/31/32/85/199313285.db2.gz OLHMFIBENOAFSW-MQVJKMGUSA-N 1 3 278.827 3.363 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@@H]2CCC[C@H]21 ZINC000367629381 529806479 /nfs/dbraw/zinc/80/64/79/529806479.db2.gz YDGQXYVEDYFUKL-YTQUADARSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@@H]2CCC[C@H]21 ZINC000367629381 529806481 /nfs/dbraw/zinc/80/64/81/529806481.db2.gz YDGQXYVEDYFUKL-YTQUADARSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@@H]2CCC[C@@H]21 ZINC000423422874 529806855 /nfs/dbraw/zinc/80/68/55/529806855.db2.gz ZJNBJUWESFBKCU-WDSOQIARSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@@H]2CCC[C@@H]21 ZINC000423422874 529806857 /nfs/dbraw/zinc/80/68/57/529806857.db2.gz ZJNBJUWESFBKCU-WDSOQIARSA-N 1 3 299.462 3.007 20 0 CGADHO CSc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)s1 ZINC000623657398 349859888 /nfs/dbraw/zinc/85/98/88/349859888.db2.gz PVSCCCBUPKNSTB-GFCCVEGCSA-N 1 3 284.494 3.292 20 0 CGADHO CCCOc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623655942 349856277 /nfs/dbraw/zinc/85/62/77/349856277.db2.gz JGSAMPTVEPXVOY-QGZVFWFLSA-N 1 3 290.451 3.297 20 0 CGADHO CC(C)Oc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623656516 349858371 /nfs/dbraw/zinc/85/83/71/349858371.db2.gz VYEJOFFBGONFHB-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO C[N@H+](CCCCF)[C@H]1CCCN(CCCCF)CC1 ZINC000367225113 529882521 /nfs/dbraw/zinc/88/25/21/529882521.db2.gz RHIACEZDKKPJHK-HNNXBMFYSA-N 1 3 276.415 3.272 20 0 CGADHO C[N@@H+](CCCCF)[C@H]1CCCN(CCCCF)CC1 ZINC000367225113 529882522 /nfs/dbraw/zinc/88/25/22/529882522.db2.gz RHIACEZDKKPJHK-HNNXBMFYSA-N 1 3 276.415 3.272 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000623879795 349903987 /nfs/dbraw/zinc/90/39/87/349903987.db2.gz OJFGDIIVIJTTKT-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000623879795 349903990 /nfs/dbraw/zinc/90/39/90/349903990.db2.gz OJFGDIIVIJTTKT-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423275777 529998929 /nfs/dbraw/zinc/99/89/29/529998929.db2.gz NJSXYYSVYMTJAX-RYUDHWBXSA-N 1 3 288.357 3.082 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040622715 344964104 /nfs/dbraw/zinc/96/41/04/344964104.db2.gz PIIXPUWYXGMNBM-ZLPCBKJTSA-N 1 3 272.436 3.253 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNC2CC(c3ccccc3)C2)C1 ZINC000040622715 344964106 /nfs/dbraw/zinc/96/41/06/344964106.db2.gz PIIXPUWYXGMNBM-ZLPCBKJTSA-N 1 3 272.436 3.253 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNC2CC(c3ccccc3)C2)C1 ZINC000040622715 344964108 /nfs/dbraw/zinc/96/41/08/344964108.db2.gz PIIXPUWYXGMNBM-ZLPCBKJTSA-N 1 3 272.436 3.253 20 0 CGADHO CCCOc1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000070183530 345388394 /nfs/dbraw/zinc/38/83/94/345388394.db2.gz CMMMXWLEJCWPKJ-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1CCCCC1)c1cccnc1 ZINC000091266626 345809084 /nfs/dbraw/zinc/80/90/84/345809084.db2.gz YEGBSWBMJAODCN-QGZVFWFLSA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)(C)C[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090589554 345791688 /nfs/dbraw/zinc/79/16/88/345791688.db2.gz QZQMRGMLAUUZPJ-MRXNPFEDSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)(C)C[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000090589554 345791690 /nfs/dbraw/zinc/79/16/90/345791690.db2.gz QZQMRGMLAUUZPJ-MRXNPFEDSA-N 1 3 296.499 3.170 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000173921349 232291254 /nfs/dbraw/zinc/29/12/54/232291254.db2.gz XRLONBJTXALSFV-MRXNPFEDSA-N 1 3 290.451 3.043 20 0 CGADHO CC[NH+]1CCC(CNCc2cccc(Cl)c2F)CC1 ZINC000125140172 346015826 /nfs/dbraw/zinc/01/58/26/346015826.db2.gz QVXDUQUYPVEVNU-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC(C2CC2)C2CC2)c2ccccc21 ZINC000132154159 346069957 /nfs/dbraw/zinc/06/99/57/346069957.db2.gz PEVDWEKQMSDXHZ-SJORKVTESA-N 1 3 256.393 3.157 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)CC1CC1 ZINC000161388159 346174881 /nfs/dbraw/zinc/17/48/81/346174881.db2.gz ALFPNCSLTMLMDU-XHSDSOJGSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)CN(Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000166762078 346187672 /nfs/dbraw/zinc/18/76/72/346187672.db2.gz JVWHAZWWDOZZBB-HNNXBMFYSA-N 1 3 280.843 3.408 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@@H]1OC ZINC000344079090 282456027 /nfs/dbraw/zinc/45/60/27/282456027.db2.gz SEGMAHGZAQUARF-QXSJWSMHSA-N 1 3 282.472 3.043 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCC[C@@H]3CCC[C@H]31)CNCC2 ZINC000228244968 346314200 /nfs/dbraw/zinc/31/42/00/346314200.db2.gz AHARDSMJLLSFCR-FUHWJXTLSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCC[C@@H]3CCC[C@H]31)CNCC2 ZINC000228244968 346314204 /nfs/dbraw/zinc/31/42/04/346314204.db2.gz AHARDSMJLLSFCR-FUHWJXTLSA-N 1 3 270.420 3.097 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000252121579 346389933 /nfs/dbraw/zinc/38/99/33/346389933.db2.gz KWRFKHOEORWVSM-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@@H+]2C[C@@H](CN)C[C@H]2C)c(C)c1 ZINC000252700390 346392109 /nfs/dbraw/zinc/39/21/09/346392109.db2.gz ZTVBCRVADKMKDF-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](CN)C[C@H]2C)c(C)c1 ZINC000252700390 346392113 /nfs/dbraw/zinc/39/21/13/346392113.db2.gz ZTVBCRVADKMKDF-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)C(F)(F)F ZINC000584714169 346709701 /nfs/dbraw/zinc/70/97/01/346709701.db2.gz ADYBNJLCOYFMAO-NWDGAFQWSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(F)c1 ZINC000624119541 349975507 /nfs/dbraw/zinc/97/55/07/349975507.db2.gz DSJKGUJBHGBRQN-ZIAGYGMSSA-N 1 3 264.388 3.208 20 0 CGADHO CCSC1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000596653929 347499416 /nfs/dbraw/zinc/49/94/16/347499416.db2.gz XXNFAWJRRAUGBM-RRFJBIMHSA-N 1 3 282.497 3.173 20 0 CGADHO CCSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000596653929 347499418 /nfs/dbraw/zinc/49/94/18/347499418.db2.gz XXNFAWJRRAUGBM-RRFJBIMHSA-N 1 3 282.497 3.173 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121427 349978869 /nfs/dbraw/zinc/97/88/69/349978869.db2.gz WFZRTXMMEXLGCI-JKSUJKDBSA-N 1 3 252.446 3.443 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000624121656 349979948 /nfs/dbraw/zinc/97/99/48/349979948.db2.gz AJNCRGGPKIFHHM-IEBWSBKVSA-N 1 3 286.463 3.329 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123342 349982368 /nfs/dbraw/zinc/98/23/68/349982368.db2.gz KCZDLTLIKVRFSU-RYRKJORJSA-N 1 3 290.451 3.084 20 0 CGADHO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123595 349983179 /nfs/dbraw/zinc/98/31/79/349983179.db2.gz OTLKRZCRALSNGX-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000624123958 349982715 /nfs/dbraw/zinc/98/27/15/349982715.db2.gz USSALYUKKLVZDD-RDTXWAMCSA-N 1 3 288.435 3.091 20 0 CGADHO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339437094 215171075 /nfs/dbraw/zinc/17/10/75/215171075.db2.gz DIZGEVDSLQHLCI-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339437094 215171076 /nfs/dbraw/zinc/17/10/76/215171076.db2.gz DIZGEVDSLQHLCI-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000358323695 233107105 /nfs/dbraw/zinc/10/71/05/233107105.db2.gz ASMUUCQCHMFIRZ-CRAIPNDOSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000358323695 233107107 /nfs/dbraw/zinc/10/71/07/233107107.db2.gz ASMUUCQCHMFIRZ-CRAIPNDOSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@]3(C)CCOC3)CC2)C1 ZINC000358712563 233181821 /nfs/dbraw/zinc/18/18/21/233181821.db2.gz INKOJAVCXDUBPS-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(C)CCOC3)CC2)C1 ZINC000358712563 233181827 /nfs/dbraw/zinc/18/18/27/233181827.db2.gz INKOJAVCXDUBPS-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1nc(C)c([C@H](C)N(C)CCC2CC[NH2+]CC2)s1 ZINC000359190108 233276914 /nfs/dbraw/zinc/27/69/14/233276914.db2.gz MIKYOKJTESCTMF-LBPRGKRZSA-N 1 3 281.469 3.142 20 0 CGADHO CC(C)(C)C[C@H](NCCOCCC[NH3+])c1ccc(F)cc1 ZINC000629537091 350705987 /nfs/dbraw/zinc/70/59/87/350705987.db2.gz IXRIRHCKVFHSNX-INIZCTEOSA-N 1 3 296.430 3.258 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C[C@H]2C[C@H]2C1 ZINC000629539150 350706633 /nfs/dbraw/zinc/70/66/33/350706633.db2.gz QUHQQHBHMPQSHR-HVKXIDHRSA-N 1 3 276.468 3.323 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550250 350710902 /nfs/dbraw/zinc/71/09/02/350710902.db2.gz KQYIITHIHPLJCQ-MSOLQXFVSA-N 1 3 295.430 3.498 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550060 350711269 /nfs/dbraw/zinc/71/12/69/350711269.db2.gz XIPBXPLQSTWCBO-QLFBSQMISA-N 1 3 264.800 3.187 20 0 CGADHO CC(C)(CCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000629566082 350713558 /nfs/dbraw/zinc/71/35/58/350713558.db2.gz YDAZZFZIXVCNTD-DGCLKSJQSA-N 1 3 292.389 3.272 20 0 CGADHO CCC(C)(C)CCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561510 350713948 /nfs/dbraw/zinc/71/39/48/350713948.db2.gz IGEDKNXLEPNFAK-NWDGAFQWSA-N 1 3 280.378 3.272 20 0 CGADHO [NH3+]C[C@H]1CN(CC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629560143 350714009 /nfs/dbraw/zinc/71/40/09/350714009.db2.gz DFLXKBRWLIWWTM-QWHCGFSZSA-N 1 3 278.362 3.026 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629516060 350700061 /nfs/dbraw/zinc/70/00/61/350700061.db2.gz ZUZBVTFPOGUCLD-WCVJEAGWSA-N 1 3 258.409 3.038 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000629516060 350700064 /nfs/dbraw/zinc/70/00/64/350700064.db2.gz ZUZBVTFPOGUCLD-WCVJEAGWSA-N 1 3 258.409 3.038 20 0 CGADHO C[NH2+]Cc1ccc(-c2cccc(OCCN(C)C)c2)cc1 ZINC000629700771 350744294 /nfs/dbraw/zinc/74/42/94/350744294.db2.gz NFYLRXIJGAMLBV-UHFFFAOYSA-N 1 3 284.403 3.013 20 0 CGADHO Cc1scc(C[NH2+]C2CCN(CC3CC3)CC2)c1C ZINC000631043829 350934774 /nfs/dbraw/zinc/93/47/74/350934774.db2.gz BVBDYMUJKWKJEW-UHFFFAOYSA-N 1 3 278.465 3.329 20 0 CGADHO CC(C)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631196166 350987373 /nfs/dbraw/zinc/98/73/73/350987373.db2.gz NYIQOOKZDFELQC-WBVHZDCISA-N 1 3 260.425 3.000 20 0 CGADHO C[C@@H](NCC(C)(C)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000631659200 351108856 /nfs/dbraw/zinc/10/88/56/351108856.db2.gz QSHQPFLVKDXPFI-CYBMUJFWSA-N 1 3 282.403 3.026 20 0 CGADHO C1CC12CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000635003043 351621712 /nfs/dbraw/zinc/62/17/12/351621712.db2.gz FMPBRYNFDJSJDO-FZKCQIBNSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccsc1 ZINC000635006246 351624460 /nfs/dbraw/zinc/62/44/60/351624460.db2.gz BIGPPWHRRBLOLW-LBPRGKRZSA-N 1 3 272.417 3.245 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000635007403 351625490 /nfs/dbraw/zinc/62/54/90/351625490.db2.gz WFLZFFKDHUMNDL-AVGNSLFASA-N 1 3 281.469 3.435 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009997 351628487 /nfs/dbraw/zinc/62/84/87/351628487.db2.gz ILYXCUXAPFYVCK-PVAVHDDUSA-N 1 3 290.451 3.130 20 0 CGADHO Cc1cccc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941222 187060796 /nfs/dbraw/zinc/06/07/96/187060796.db2.gz IFOAXUCXAQFKGN-FVQBIDKESA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941222 187060797 /nfs/dbraw/zinc/06/07/97/187060797.db2.gz IFOAXUCXAQFKGN-FVQBIDKESA-N 1 3 260.425 3.437 20 0 CGADHO CCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000132687075 187641779 /nfs/dbraw/zinc/64/17/79/187641779.db2.gz ZDZUAIVDIOFLET-UHFFFAOYSA-N 1 3 289.467 3.107 20 0 CGADHO CSCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000367696716 234242228 /nfs/dbraw/zinc/24/22/28/234242228.db2.gz IZMOLUFGQIGRLW-ALOPSCKCSA-N 1 3 290.476 3.264 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCNCC1 ZINC000422820168 282911143 /nfs/dbraw/zinc/91/11/43/282911143.db2.gz PFQKLTOGWGUPMF-RWMBFGLXSA-N 1 3 278.362 3.087 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cnc2ccsc2c1 ZINC000271841012 191360622 /nfs/dbraw/zinc/36/06/22/191360622.db2.gz GSSHIWHIABEFEO-LBPRGKRZSA-N 1 3 287.432 3.209 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cnc2ccsc2c1 ZINC000271841012 191360623 /nfs/dbraw/zinc/36/06/23/191360623.db2.gz GSSHIWHIABEFEO-LBPRGKRZSA-N 1 3 287.432 3.209 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(Cl)cc1 ZINC000271831530 191354280 /nfs/dbraw/zinc/35/42/80/191354280.db2.gz DYDDRKGTLLWJQS-GFCCVEGCSA-N 1 3 264.800 3.253 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2nc3ccc(F)cc3s2)C1 ZINC000415012434 235512278 /nfs/dbraw/zinc/51/22/78/235512278.db2.gz XEVKWEAUCLTFTN-JQWIXIFHSA-N 1 3 293.411 3.043 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2cccc(Cl)c2Cl)C1 ZINC000415029538 235515611 /nfs/dbraw/zinc/51/56/11/235515611.db2.gz DSVKSOYIUGJQNB-ONGXEEELSA-N 1 3 273.207 3.210 20 0 CGADHO C[C@H](c1ccccc1Cl)N1CCC([C@H](C)[NH3+])CC1 ZINC000110644973 138363354 /nfs/dbraw/zinc/36/33/54/138363354.db2.gz TWHNWENJPDPEEK-NWDGAFQWSA-N 1 3 266.816 3.460 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc2cccnc21 ZINC000128490222 138393734 /nfs/dbraw/zinc/39/37/34/138393734.db2.gz LMVHBKSGUWSLAD-INIZCTEOSA-N 1 3 271.408 3.040 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129450373 138397331 /nfs/dbraw/zinc/39/73/31/138397331.db2.gz VPKLAUHUUZRXGS-JTQLQIEISA-N 1 3 292.320 3.274 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931723 235944496 /nfs/dbraw/zinc/94/44/96/235944496.db2.gz CPMNVCCEKVMOMF-CJNGLKHVSA-N 1 3 296.842 3.216 20 0 CGADHO CCOc1ccc([C@H](CC)NC[C@@H](C)C[NH3+])cc1OCC ZINC000423300375 236031233 /nfs/dbraw/zinc/03/12/33/236031233.db2.gz RLIYCTYVQDIBOR-ZFWWWQNUSA-N 1 3 294.439 3.120 20 0 CGADHO Cc1cc([C@@H]([NH2+]C[C@H](N)C(C)C)C2CC2)ccc1F ZINC000423266150 236014531 /nfs/dbraw/zinc/01/45/31/236014531.db2.gz DFIRTUUQIFWZFY-HOTGVXAUSA-N 1 3 264.388 3.158 20 0 CGADHO N[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000423312518 236034528 /nfs/dbraw/zinc/03/45/28/236034528.db2.gz DGQGZSDGKWMTLE-OALUTQOASA-N 1 3 280.415 3.297 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423347846 236046556 /nfs/dbraw/zinc/04/65/56/236046556.db2.gz RJVPUNNURDLMBI-HNNXBMFYSA-N 1 3 293.414 3.319 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423493517 236086457 /nfs/dbraw/zinc/08/64/57/236086457.db2.gz BQZJDZIDIGPSAW-SKDZVZGDSA-N 1 3 299.393 3.027 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(Cl)c1 ZINC000423452079 236073764 /nfs/dbraw/zinc/07/37/64/236073764.db2.gz YQJWFTGGFSPXEL-JIMOISOXSA-N 1 3 284.856 3.440 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000423465861 236077560 /nfs/dbraw/zinc/07/75/60/236077560.db2.gz HYRQDLZELIMSIG-SUMDDJOVSA-N 1 3 295.430 3.278 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423509989 236088967 /nfs/dbraw/zinc/08/89/67/236088967.db2.gz PCQJMNDISFATJK-SKDZVZGDSA-N 1 3 299.393 3.027 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423531068 236093432 /nfs/dbraw/zinc/09/34/32/236093432.db2.gz QCLPXKMUPQCGJG-IAGOWNOFSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424366512 236157368 /nfs/dbraw/zinc/15/73/68/236157368.db2.gz JETUMISSWDLZRD-HUUCEWRRSA-N 1 3 258.365 3.101 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1F ZINC000425938693 236274706 /nfs/dbraw/zinc/27/47/06/236274706.db2.gz RBLPCWPGHUBYSJ-VXGBXAGGSA-N 1 3 284.444 3.396 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000252177399 291148191 /nfs/dbraw/zinc/14/81/91/291148191.db2.gz SGMPCEDTIXWXND-ZVDSWSACSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)Oc1ccccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342095692 216217286 /nfs/dbraw/zinc/21/72/86/216217286.db2.gz YQWOIHYOSQOSNW-USXIJHARSA-N 1 3 288.435 3.033 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184131769 189376814 /nfs/dbraw/zinc/37/68/14/189376814.db2.gz VBSDFUMGASVTMO-CYBMUJFWSA-N 1 3 282.403 3.131 20 0 CGADHO CCCCN1CCC([NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184326967 189383001 /nfs/dbraw/zinc/38/30/01/189383001.db2.gz WOHBEMFLRHBGLJ-HNNXBMFYSA-N 1 3 275.440 3.305 20 0 CGADHO C[C@H](CO)[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449165736 239215945 /nfs/dbraw/zinc/21/59/45/239215945.db2.gz XLJUXCHFERMCQQ-CABCVRRESA-N 1 3 298.515 3.272 20 0 CGADHO CC[NH+](CC)[C@@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302165858 201376616 /nfs/dbraw/zinc/37/66/16/201376616.db2.gz RGEQNCNHKFVIIA-OAHLLOKOSA-N 1 3 283.419 3.464 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)[C@H]1CCCNC1 ZINC000423153712 299344140 /nfs/dbraw/zinc/34/41/40/299344140.db2.gz GTVZNZGEEKKFQA-YXMSTPNBSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cc(NC2CC[NH+](C3CCC3)CC2)c2ccccc2n1 ZINC000450876344 240129366 /nfs/dbraw/zinc/12/93/66/240129366.db2.gz PDJQZLDWWKGJRQ-UHFFFAOYSA-N 1 3 295.430 3.394 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459629293 242152433 /nfs/dbraw/zinc/15/24/33/242152433.db2.gz GZCWCZFTWDCWLH-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000459629293 242152438 /nfs/dbraw/zinc/15/24/38/242152438.db2.gz GZCWCZFTWDCWLH-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000459742374 242203592 /nfs/dbraw/zinc/20/35/92/242203592.db2.gz VYEQNGIKYJSUGQ-FMKPAKJESA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459742374 242203596 /nfs/dbraw/zinc/20/35/96/242203596.db2.gz VYEQNGIKYJSUGQ-FMKPAKJESA-N 1 3 276.424 3.225 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2ccco2)CC1 ZINC000121764158 370893428 /nfs/dbraw/zinc/89/34/28/370893428.db2.gz OTWGBQMHERYFFW-CYBMUJFWSA-N 1 3 250.386 3.052 20 0 CGADHO C[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CNC1 ZINC000335059335 296114485 /nfs/dbraw/zinc/11/44/85/296114485.db2.gz KVCRCXDCIPEDPN-CYBMUJFWSA-N 1 3 250.430 3.077 20 0 CGADHO COc1cccc([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000477918909 243060483 /nfs/dbraw/zinc/06/04/83/243060483.db2.gz CHUWEVJDGUBLEP-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NCCC[NH+]1CCCCC1 ZINC000480165953 243139533 /nfs/dbraw/zinc/13/95/33/243139533.db2.gz ODQRHOUMUGSLFO-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]([NH2+]CC1CCC(C(C)(C)C)CC1)C1CNC1 ZINC000422935280 296120440 /nfs/dbraw/zinc/12/04/40/296120440.db2.gz HCHLQAWZGUSSKC-DNOWBOINSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@@H](NCC1(c2cccc(Cl)c2)CCCC1)C1C[NH2+]C1 ZINC000422767884 296120523 /nfs/dbraw/zinc/12/05/23/296120523.db2.gz SOMUEBFEBGPDAL-CYBMUJFWSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCCC1)C1CNC1 ZINC000422767884 296120525 /nfs/dbraw/zinc/12/05/25/296120525.db2.gz SOMUEBFEBGPDAL-CYBMUJFWSA-N 1 3 292.854 3.349 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC2(CCCC2)CC1 ZINC000124273795 370923408 /nfs/dbraw/zinc/92/34/08/370923408.db2.gz SWPPKQRPAXTSPC-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC2(CCCC2)CC1 ZINC000124273795 370923413 /nfs/dbraw/zinc/92/34/13/370923413.db2.gz SWPPKQRPAXTSPC-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC2(CCCC2)CC1 ZINC000124273795 370923421 /nfs/dbraw/zinc/92/34/21/370923421.db2.gz SWPPKQRPAXTSPC-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1C ZINC000021802304 368810197 /nfs/dbraw/zinc/81/01/97/368810197.db2.gz AXFGUCVFJIDUIP-MRXNPFEDSA-N 1 3 260.425 3.440 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1F ZINC000019905936 368778822 /nfs/dbraw/zinc/77/88/22/368778822.db2.gz VXHMBKVPNZOEOP-LBPRGKRZSA-N 1 3 282.403 3.073 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000037117841 369062744 /nfs/dbraw/zinc/06/27/44/369062744.db2.gz CROWBYOFJSNTPM-HOCLYGCPSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037713206 369100802 /nfs/dbraw/zinc/10/08/02/369100802.db2.gz RWVMMDYWTABINQ-CQSZACIVSA-N 1 3 254.377 3.353 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(C)cc2C)CC1 ZINC000037996443 369136239 /nfs/dbraw/zinc/13/62/39/369136239.db2.gz DVKKAOZQJWVHSA-HNNXBMFYSA-N 1 3 260.425 3.438 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccccc1)CN1CCCCC1 ZINC000038041795 369142662 /nfs/dbraw/zinc/14/26/62/369142662.db2.gz GEWITTNCCPTPID-HZPDHXFCSA-N 1 3 260.425 3.459 20 0 CGADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000226436689 189775505 /nfs/dbraw/zinc/77/55/05/189775505.db2.gz WEIAPWBSQPCNCQ-UONOGXRCSA-N 1 3 264.388 3.208 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(F)c(C)c2)CC1 ZINC000049943416 369423855 /nfs/dbraw/zinc/42/38/55/369423855.db2.gz NNWLNNBMEJUNAH-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CC)C1 ZINC000181742039 261189650 /nfs/dbraw/zinc/18/96/50/261189650.db2.gz YPVCMIRXCBYSEX-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1cccs1)CN1CCCC1 ZINC000062077879 369617620 /nfs/dbraw/zinc/61/76/20/369617620.db2.gz SFPOMUDMVFMPDN-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO Cc1cc(CN2CCCC[C@H]2CC[NH3+])c(C)s1 ZINC000070148734 369781763 /nfs/dbraw/zinc/78/17/63/369781763.db2.gz ABGWXIFZRYDVHL-AWEZNQCLSA-N 1 3 252.427 3.068 20 0 CGADHO C[C@@H](C[NH2+]C1CCC(C)(C)CC1)CN1CCCC1 ZINC000079654869 369973915 /nfs/dbraw/zinc/97/39/15/369973915.db2.gz VMRMZVZJUVREBS-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000092383754 370096139 /nfs/dbraw/zinc/09/61/39/370096139.db2.gz ILPUROVZBWHVAA-GOSISDBHSA-N 1 3 288.435 3.147 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2cc3cc(F)ccc3o2)CC1 ZINC000093088662 370108482 /nfs/dbraw/zinc/10/84/82/370108482.db2.gz DHQASCPRILELEO-UHFFFAOYSA-N 1 3 290.382 3.346 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2cc3cc(F)ccc3o2)CC1 ZINC000093088662 370108486 /nfs/dbraw/zinc/10/84/86/370108486.db2.gz DHQASCPRILELEO-UHFFFAOYSA-N 1 3 290.382 3.346 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452439 370132349 /nfs/dbraw/zinc/13/23/49/370132349.db2.gz PKKWOFREDYOTMS-IXDOHACOSA-N 1 3 258.409 3.005 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451303 370132410 /nfs/dbraw/zinc/13/24/10/370132410.db2.gz ZYEAHIGZMWSMPU-YESZJQIVSA-N 1 3 258.409 3.005 20 0 CGADHO C[N@H+](CCCN[C@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368417 370166433 /nfs/dbraw/zinc/16/64/33/370166433.db2.gz KDRSYEHGBSUYSQ-INIZCTEOSA-N 1 3 294.483 3.332 20 0 CGADHO C[N@@H+](CCCN[C@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368417 370166439 /nfs/dbraw/zinc/16/64/39/370166439.db2.gz KDRSYEHGBSUYSQ-INIZCTEOSA-N 1 3 294.483 3.332 20 0 CGADHO CN(CCC[NH2+][C@H]1CCOC2(CCC2)C1)C1CCCCC1 ZINC000094368417 370166443 /nfs/dbraw/zinc/16/64/43/370166443.db2.gz KDRSYEHGBSUYSQ-INIZCTEOSA-N 1 3 294.483 3.332 20 0 CGADHO CN(C)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000512774620 245049070 /nfs/dbraw/zinc/04/90/70/245049070.db2.gz YJQBMSJGXASKCL-UHFFFAOYSA-N 1 3 282.431 3.408 20 0 CGADHO C(CC1CCOCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513208538 245069312 /nfs/dbraw/zinc/06/93/12/245069312.db2.gz VZVOIWPSLKOHHP-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351330 371027159 /nfs/dbraw/zinc/02/71/59/371027159.db2.gz DHOFBBYUNCNUCH-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351330 371027166 /nfs/dbraw/zinc/02/71/66/371027166.db2.gz DHOFBBYUNCNUCH-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130351330 371027173 /nfs/dbraw/zinc/02/71/73/371027173.db2.gz DHOFBBYUNCNUCH-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cc(C)cc([C@@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130560441 371042510 /nfs/dbraw/zinc/04/25/10/371042510.db2.gz KJSXBCAFCRXKFJ-INMHGKMJSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cc(C)cc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130560441 371042514 /nfs/dbraw/zinc/04/25/14/371042514.db2.gz KJSXBCAFCRXKFJ-INMHGKMJSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H]1C[C@@H](NCCc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133316008 371242599 /nfs/dbraw/zinc/24/25/99/371242599.db2.gz HUSPRXIVCTZQRK-STQMWFEESA-N 1 3 295.496 3.055 20 0 CGADHO C[C@H]1C[C@@H](NCCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133316008 371242602 /nfs/dbraw/zinc/24/26/02/371242602.db2.gz HUSPRXIVCTZQRK-STQMWFEESA-N 1 3 295.496 3.055 20 0 CGADHO COC1([C@H](C)[NH2+]CCCN2CCC(C)CC2)CCCC1 ZINC000421819512 371642823 /nfs/dbraw/zinc/64/28/23/371642823.db2.gz HMTFFEUCIPPIIV-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO COC1([C@H](C)NCCC[NH+]2CCC(C)CC2)CCCC1 ZINC000421819512 371642828 /nfs/dbraw/zinc/64/28/28/371642828.db2.gz HMTFFEUCIPPIIV-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO Fc1cccc(F)c1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422687699 371754990 /nfs/dbraw/zinc/75/49/90/371754990.db2.gz BVXHGAQVRKOTMD-XKQJLSEDSA-N 1 3 294.389 3.018 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699549 371756658 /nfs/dbraw/zinc/75/66/58/371756658.db2.gz DPLSSGCUIOXNSQ-CZUORRHYSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699549 371756666 /nfs/dbraw/zinc/75/66/66/371756666.db2.gz DPLSSGCUIOXNSQ-CZUORRHYSA-N 1 3 292.854 3.349 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000422708752 371761853 /nfs/dbraw/zinc/76/18/53/371761853.db2.gz YDGNQBYECQNMDE-DLBZAZTESA-N 1 3 260.425 3.116 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422711675 371764022 /nfs/dbraw/zinc/76/40/22/371764022.db2.gz NIEDEDFOUFOYCY-DOTOQJQBSA-N 1 3 282.472 3.223 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422763043 371793103 /nfs/dbraw/zinc/79/31/03/371793103.db2.gz IUCQHRNQFKBFAB-BBRMVZONSA-N 1 3 296.455 3.166 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000422738385 371776627 /nfs/dbraw/zinc/77/66/27/371776627.db2.gz JQFFQBVBQPDDLT-STQMWFEESA-N 1 3 266.454 3.003 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1ccc(F)cc1Cl ZINC000422737928 371777627 /nfs/dbraw/zinc/77/76/27/371777627.db2.gz XXWRKDSGBRZTDQ-WDEREUQCSA-N 1 3 286.822 3.472 20 0 CGADHO CC(C)(C)c1csc(CC[NH2+][C@H]2CCCC[C@@H]2CN)n1 ZINC000422745050 371780171 /nfs/dbraw/zinc/78/01/71/371780171.db2.gz ULTJRJYFCOBEPR-OLZOCXBDSA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1csc(CCN[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422745050 371780178 /nfs/dbraw/zinc/78/01/78/371780178.db2.gz ULTJRJYFCOBEPR-OLZOCXBDSA-N 1 3 295.496 3.090 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000422759858 371789472 /nfs/dbraw/zinc/78/94/72/371789472.db2.gz KGQJWOCIZZDXKX-NXNVCVFFSA-N 1 3 260.425 3.113 20 0 CGADHO CO[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422779777 371802077 /nfs/dbraw/zinc/80/20/77/371802077.db2.gz GNGBTLLRWSFONB-NUEKZKHPSA-N 1 3 296.842 3.135 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Sc1ccccc1 ZINC000422780807 371803051 /nfs/dbraw/zinc/80/30/51/371803051.db2.gz DPYLCXXSHNHKFM-YCPHGPKFSA-N 1 3 278.465 3.274 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Sc1ccccc1 ZINC000422780807 371803058 /nfs/dbraw/zinc/80/30/58/371803058.db2.gz DPYLCXXSHNHKFM-YCPHGPKFSA-N 1 3 278.465 3.274 20 0 CGADHO C[C@H](OCCC[NH2+][C@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422786103 371808836 /nfs/dbraw/zinc/80/88/36/371808836.db2.gz OLRAOYDJEZMBJB-BQFCYCMXSA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000422790851 371811749 /nfs/dbraw/zinc/81/17/49/371811749.db2.gz UJOHCVDXBWPSER-HUBLWGQQSA-N 1 3 252.377 3.238 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422813203 371824633 /nfs/dbraw/zinc/82/46/33/371824633.db2.gz RQWXPWVTQPAGFK-NVXWUHKLSA-N 1 3 272.436 3.215 20 0 CGADHO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)[C@H]1CCCN1 ZINC000422811207 371825235 /nfs/dbraw/zinc/82/52/35/371825235.db2.gz OTEWAWDKHAQHDA-IKWCTNDRSA-N 1 3 278.362 3.085 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)cc1 ZINC000422816569 371826516 /nfs/dbraw/zinc/82/65/16/371826516.db2.gz ATPTZBUQMBWBTC-WBTNSWJXSA-N 1 3 290.451 3.165 20 0 CGADHO CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)Oc1ccccc1F ZINC000422814816 371827658 /nfs/dbraw/zinc/82/76/58/371827658.db2.gz AGNLVZQJGMQULQ-LZWOXQAQSA-N 1 3 294.414 3.103 20 0 CGADHO Cc1ccc(C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000422886844 371855899 /nfs/dbraw/zinc/85/58/99/371855899.db2.gz JTKUTRDQZPTENK-QTXGHNMQSA-N 1 3 272.436 3.107 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422892695 371857442 /nfs/dbraw/zinc/85/74/42/371857442.db2.gz ZHKOLTCOMIFRJS-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(OCCCCN[C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422894073 371857469 /nfs/dbraw/zinc/85/74/69/371857469.db2.gz BNAJTRLAKIYSFF-SJLPKXTDSA-N 1 3 290.451 3.274 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422894957 371859603 /nfs/dbraw/zinc/85/96/03/371859603.db2.gz DRHZLLOWMHHEMT-HZPDHXFCSA-N 1 3 276.399 3.107 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1c(F)cccc1OC(F)F ZINC000422922271 371871690 /nfs/dbraw/zinc/87/16/90/371871690.db2.gz SLIUGFRKNBEMGL-JTQLQIEISA-N 1 3 290.329 3.034 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1c(F)cccc1Cl ZINC000422924469 371873488 /nfs/dbraw/zinc/87/34/88/371873488.db2.gz YMEANDMCFUTWGL-FZMZJTMJSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]1C[NH3+])c1c(F)cccc1Cl ZINC000422924469 371873495 /nfs/dbraw/zinc/87/34/95/371873495.db2.gz YMEANDMCFUTWGL-FZMZJTMJSA-N 1 3 298.833 3.474 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932731 371877479 /nfs/dbraw/zinc/87/74/79/371877479.db2.gz GNWPGLCHIQTLIH-ZWKOTPCHSA-N 1 3 296.414 3.202 20 0 CGADHO c1ccc2cc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000422943813 371883301 /nfs/dbraw/zinc/88/33/01/371883301.db2.gz LABMEAGNLZKQRZ-DFNIBXOVSA-N 1 3 280.415 3.255 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422840941 371836877 /nfs/dbraw/zinc/83/68/77/371836877.db2.gz CJIDSDVYNNCZDW-UONOGXRCSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(C(C)(C)C)cc1 ZINC000422840941 371836885 /nfs/dbraw/zinc/83/68/85/371836885.db2.gz CJIDSDVYNNCZDW-UONOGXRCSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2c(F)cccc2F)CCCC1 ZINC000422849108 371838018 /nfs/dbraw/zinc/83/80/18/371838018.db2.gz ULNCXQWSEMKMRJ-CHWSQXEVSA-N 1 3 296.405 3.492 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422849108 371838025 /nfs/dbraw/zinc/83/80/25/371838025.db2.gz ULNCXQWSEMKMRJ-CHWSQXEVSA-N 1 3 296.405 3.492 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000422846520 371838982 /nfs/dbraw/zinc/83/89/82/371838982.db2.gz PYOZQCMIKGYMKW-CQDKDKBSSA-N 1 3 294.439 3.470 20 0 CGADHO CCCCO[C@H]1C[C@H]([NH2+]CCCN2CCCC2)C1(C)C ZINC000344085099 217042187 /nfs/dbraw/zinc/04/21/87/217042187.db2.gz LTYLLBWKIFPOCU-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCO[C@H]1C[C@H](NCCC[NH+]2CCCC2)C1(C)C ZINC000344085099 217042189 /nfs/dbraw/zinc/04/21/89/217042189.db2.gz LTYLLBWKIFPOCU-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CCC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCC1 ZINC000422851636 371841257 /nfs/dbraw/zinc/84/12/57/371841257.db2.gz PHZWOXUKPFRKIW-GFCCVEGCSA-N 1 3 261.413 3.080 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423050600 371936144 /nfs/dbraw/zinc/93/61/44/371936144.db2.gz MOHIOLCYRAXHLR-SKDZVZGDSA-N 1 3 272.436 3.144 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000423050600 371936152 /nfs/dbraw/zinc/93/61/52/371936152.db2.gz MOHIOLCYRAXHLR-SKDZVZGDSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)C(C)C ZINC000423058492 371939544 /nfs/dbraw/zinc/93/95/44/371939544.db2.gz JORHYNCOXKROMB-LBPRGKRZSA-N 1 3 263.429 3.182 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCCc1ccc(F)cc1 ZINC000423060396 371939744 /nfs/dbraw/zinc/93/97/44/371939744.db2.gz IAXIOJVMLXRIQD-ZIAGYGMSSA-N 1 3 266.404 3.254 20 0 CGADHO C[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423061845 371941085 /nfs/dbraw/zinc/94/10/85/371941085.db2.gz RNXLZPPMZOKTQI-HONMWMINSA-N 1 3 286.341 3.278 20 0 CGADHO CC(C)N(C)c1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423061102 371942109 /nfs/dbraw/zinc/94/21/09/371942109.db2.gz QBHGWTLPYCVDHC-WBVHZDCISA-N 1 3 289.467 3.138 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2cccc(F)c2F)c2ccccc21 ZINC000422957278 371890557 /nfs/dbraw/zinc/89/05/57/371890557.db2.gz MZRROUWUZAZDRG-HZPDHXFCSA-N 1 3 288.341 3.242 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422960424 371892837 /nfs/dbraw/zinc/89/28/37/371892837.db2.gz WHHIMGIUFHVZKG-NVXWUHKLSA-N 1 3 290.451 3.167 20 0 CGADHO COc1cccc(C(C)(C)C[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000423000256 371908430 /nfs/dbraw/zinc/90/84/30/371908430.db2.gz GMLNARGMDGKVFI-YOEHRIQHSA-N 1 3 290.451 3.080 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)C1CCCCC1 ZINC000423020896 371918150 /nfs/dbraw/zinc/91/81/50/371918150.db2.gz DCBFSRLHKOJBPN-ZFWWWQNUSA-N 1 3 252.446 3.310 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)c2ccccc21 ZINC000423018051 371918368 /nfs/dbraw/zinc/91/83/68/371918368.db2.gz QADCDXFLUQNSMN-NWDGAFQWSA-N 1 3 290.354 3.016 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCSCC(C)C ZINC000423017566 371918691 /nfs/dbraw/zinc/91/86/91/371918691.db2.gz WQPDQNLGEVTFAF-ZDUSSCGKSA-N 1 3 295.496 3.279 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423021111 371920573 /nfs/dbraw/zinc/92/05/73/371920573.db2.gz BHGPFLIEIXCCMX-HUUCEWRRSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1cc(CN[C@H]2CC[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423033795 371926202 /nfs/dbraw/zinc/92/62/02/371926202.db2.gz GYELWFMQIMEBAI-NHYWBVRUSA-N 1 3 266.816 3.126 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423036608 371926305 /nfs/dbraw/zinc/92/63/05/371926305.db2.gz ASOPAYOWCQOIJR-DCGLDWPTSA-N 1 3 276.399 3.477 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423045998 371931259 /nfs/dbraw/zinc/93/12/59/371931259.db2.gz DSGGUIWUWHSKLJ-JKSUJKDBSA-N 1 3 272.392 3.491 20 0 CGADHO Cc1ccncc1CCC[NH2+]Cc1cccc(CN(C)C)c1 ZINC000290363173 371972069 /nfs/dbraw/zinc/97/20/69/371972069.db2.gz MYQBLCGFISZUPT-UHFFFAOYSA-N 1 3 297.446 3.174 20 0 CGADHO FC(F)(F)[C@H](CC[NH2+]C1CCNCC1)c1ccccc1 ZINC000423131289 371983532 /nfs/dbraw/zinc/98/35/32/371983532.db2.gz HXWPCLNHZMXHBB-CQSZACIVSA-N 1 3 286.341 3.064 20 0 CGADHO FC(F)(F)[C@H](CCNC1CC[NH2+]CC1)c1ccccc1 ZINC000423131289 371983538 /nfs/dbraw/zinc/98/35/38/371983538.db2.gz HXWPCLNHZMXHBB-CQSZACIVSA-N 1 3 286.341 3.064 20 0 CGADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C2CC2)c1 ZINC000423146563 371990489 /nfs/dbraw/zinc/99/04/89/371990489.db2.gz PQHWSKLOBFMXFU-CXAGYDPISA-N 1 3 258.409 3.357 20 0 CGADHO [NH3+][C@H]1C[C@H](NC2(C3CCC3)CCC2)c2ccccc21 ZINC000423170506 372003104 /nfs/dbraw/zinc/00/31/04/372003104.db2.gz MHJANBPUVMEAKV-HOTGVXAUSA-N 1 3 256.393 3.444 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423167258 372000496 /nfs/dbraw/zinc/00/04/96/372000496.db2.gz RVCSEYHKHTXKFW-XOYOTBSWSA-N 1 3 274.452 3.359 20 0 CGADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000423068717 371946131 /nfs/dbraw/zinc/94/61/31/371946131.db2.gz KTZMQQSRIUDSHH-KWXGJIJISA-N 1 3 294.483 3.092 20 0 CGADHO CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000423080487 371951852 /nfs/dbraw/zinc/95/18/52/371951852.db2.gz AHEHWLYLTRNPPC-RBSFLKMASA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3CCC[C@H]3[NH3+])CCC2)cc1C ZINC000423088523 371955364 /nfs/dbraw/zinc/95/53/64/371955364.db2.gz QJXPRBSOWDMQKX-IAGOWNOFSA-N 1 3 272.436 3.195 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290593877 372024604 /nfs/dbraw/zinc/02/46/04/372024604.db2.gz VNCOXCQQCLKPCK-QAPCUYQASA-N 1 3 290.451 3.246 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290593877 372024606 /nfs/dbraw/zinc/02/46/06/372024606.db2.gz VNCOXCQQCLKPCK-QAPCUYQASA-N 1 3 290.451 3.246 20 0 CGADHO CNCCC[NH2+][C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000423205991 372028622 /nfs/dbraw/zinc/02/86/22/372028622.db2.gz WPWYPMQTMNBHON-CQSZACIVSA-N 1 3 298.858 3.395 20 0 CGADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423214705 372034327 /nfs/dbraw/zinc/03/43/27/372034327.db2.gz PHJNZTFKOJTWQR-STQMWFEESA-N 1 3 278.465 3.277 20 0 CGADHO CCC[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423220311 372039808 /nfs/dbraw/zinc/03/98/08/372039808.db2.gz XZSJTPDVKFSEKR-YOEHRIQHSA-N 1 3 276.424 3.126 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2c(Cl)cccc21 ZINC000423226419 372042520 /nfs/dbraw/zinc/04/25/20/372042520.db2.gz QREKWGBRHJEMAO-IINYFYTJSA-N 1 3 252.789 3.044 20 0 CGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267995 372046981 /nfs/dbraw/zinc/04/69/81/372046981.db2.gz DDELSJDCAIGOHE-WBVHZDCISA-N 1 3 282.472 3.094 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1C[C@H](C)c2c1cccc2Br ZINC000423293646 372048505 /nfs/dbraw/zinc/04/85/05/372048505.db2.gz AKECKQLJFRBKPM-NRUUGDAUSA-N 1 3 297.240 3.182 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000423296040 372048742 /nfs/dbraw/zinc/04/87/42/372048742.db2.gz GBVZFCFNAYZARX-ABAIWWIYSA-N 1 3 266.816 3.292 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423384094 372058643 /nfs/dbraw/zinc/05/86/43/372058643.db2.gz PWXVCKUWELGLAM-XNJGSVPQSA-N 1 3 288.435 3.148 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423176966 372006022 /nfs/dbraw/zinc/00/60/22/372006022.db2.gz GVJICRNHDYAIOW-KBXIAJHMSA-N 1 3 252.446 3.308 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423181508 372011252 /nfs/dbraw/zinc/01/12/52/372011252.db2.gz FZMRBFDIYJQHEH-ZFWWWQNUSA-N 1 3 266.816 3.305 20 0 CGADHO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CCCN)cc1 ZINC000423186123 372013815 /nfs/dbraw/zinc/01/38/15/372013815.db2.gz WKIMUJYSNVIFGR-INIZCTEOSA-N 1 3 290.451 3.291 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@H]2CCC[C@@H]21 ZINC000423422872 372062666 /nfs/dbraw/zinc/06/26/66/372062666.db2.gz ZJNBJUWESFBKCU-NEWSRXKRSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@H]2CCC[C@@H]21 ZINC000423422872 372062670 /nfs/dbraw/zinc/06/26/70/372062670.db2.gz ZJNBJUWESFBKCU-NEWSRXKRSA-N 1 3 299.462 3.007 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425927132 372145254 /nfs/dbraw/zinc/14/52/54/372145254.db2.gz SXZBRFRKXQDQAO-NVXWUHKLSA-N 1 3 262.441 3.041 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000293341514 372359221 /nfs/dbraw/zinc/35/92/21/372359221.db2.gz GOOOOFPHBWKGSI-QWHCGFSZSA-N 1 3 266.454 3.257 20 0 CGADHO C[C@@H]1CN(CCCSc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000430929957 372406876 /nfs/dbraw/zinc/40/68/76/372406876.db2.gz YRWSIKGZTUHTKO-TZMCWYRMSA-N 1 3 298.883 3.491 20 0 CGADHO CCc1cccc(Cl)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430931658 372406986 /nfs/dbraw/zinc/40/69/86/372406986.db2.gz BXUFJEBHIPCRNK-UHFFFAOYSA-N 1 3 292.854 3.478 20 0 CGADHO CC[C@H](COC)NCc1cccc(C[NH+](CC)CC)c1 ZINC000163570069 372478487 /nfs/dbraw/zinc/47/84/87/372478487.db2.gz IDBCCLAVTYRZPL-QGZVFWFLSA-N 1 3 278.440 3.043 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000293631377 372431533 /nfs/dbraw/zinc/43/15/33/372431533.db2.gz GLRFQQPTUCHQDR-AWEZNQCLSA-N 1 3 279.403 3.137 20 0 CGADHO Cc1cncc([C@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293808525 372489003 /nfs/dbraw/zinc/48/90/03/372489003.db2.gz VNVBXXIEBUIBNY-INIZCTEOSA-N 1 3 275.440 3.307 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377533 372571988 /nfs/dbraw/zinc/57/19/88/372571988.db2.gz QQDWQEPOKLSAGF-VYDXJSESSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377533 372571993 /nfs/dbraw/zinc/57/19/93/372571993.db2.gz QQDWQEPOKLSAGF-VYDXJSESSA-N 1 3 298.434 3.006 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000294175702 372603320 /nfs/dbraw/zinc/60/33/20/372603320.db2.gz DBGVTTDMWMQTCL-WFASDCNBSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175702 372603326 /nfs/dbraw/zinc/60/33/26/372603326.db2.gz DBGVTTDMWMQTCL-WFASDCNBSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@H](C[N@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000435446036 372765223 /nfs/dbraw/zinc/76/52/23/372765223.db2.gz IWKMYUDYMKLYBO-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@H](C[N@@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000435446036 372765230 /nfs/dbraw/zinc/76/52/30/372765230.db2.gz IWKMYUDYMKLYBO-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@H](CN(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446036 372765235 /nfs/dbraw/zinc/76/52/35/372765235.db2.gz IWKMYUDYMKLYBO-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO C[N@H+](CCCc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC000435623172 372786201 /nfs/dbraw/zinc/78/62/01/372786201.db2.gz UEMLTGFLYWULLF-MRXNPFEDSA-N 1 3 280.843 3.347 20 0 CGADHO C[N@@H+](CCCc1ccc(Cl)cc1)[C@@H]1CCCNCC1 ZINC000435623172 372786206 /nfs/dbraw/zinc/78/62/06/372786206.db2.gz UEMLTGFLYWULLF-MRXNPFEDSA-N 1 3 280.843 3.347 20 0 CGADHO CN(CCCc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623172 372786216 /nfs/dbraw/zinc/78/62/16/372786216.db2.gz UEMLTGFLYWULLF-MRXNPFEDSA-N 1 3 280.843 3.347 20 0 CGADHO C[NH2+]CCCN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000435885358 372822446 /nfs/dbraw/zinc/82/24/46/372822446.db2.gz IZKMGOHNTCNINN-QGZVFWFLSA-N 1 3 258.409 3.138 20 0 CGADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c(C)s1 ZINC000172582952 372990554 /nfs/dbraw/zinc/99/05/54/372990554.db2.gz SHBDHUWPJUQPTB-CQSZACIVSA-N 1 3 266.454 3.139 20 0 CGADHO Cc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c(C)s1 ZINC000172582952 372990562 /nfs/dbraw/zinc/99/05/62/372990562.db2.gz SHBDHUWPJUQPTB-CQSZACIVSA-N 1 3 266.454 3.139 20 0 CGADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000296365528 373107148 /nfs/dbraw/zinc/10/71/48/373107148.db2.gz IFZYKNPHSBYYAE-GDBMZVCRSA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000296365528 373107161 /nfs/dbraw/zinc/10/71/61/373107161.db2.gz IFZYKNPHSBYYAE-GDBMZVCRSA-N 1 3 296.480 3.290 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000442918084 373128005 /nfs/dbraw/zinc/12/80/05/373128005.db2.gz FSBJUXVFIVCQCI-LSYFEZSPSA-N 1 3 280.362 3.039 20 0 CGADHO C[C@H]1CN(CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000444616213 373211311 /nfs/dbraw/zinc/21/13/11/373211311.db2.gz CDSIVJGJCRBGQA-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000344909177 217354270 /nfs/dbraw/zinc/35/42/70/217354270.db2.gz ZRCKCYJZSYKAOG-AWEZNQCLSA-N 1 3 272.392 3.062 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000300239257 373622350 /nfs/dbraw/zinc/62/23/50/373622350.db2.gz QKBUUOIATWZZPT-LTIDMASMSA-N 1 3 264.457 3.418 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCCC2)s1 ZINC000178411869 373773673 /nfs/dbraw/zinc/77/36/73/373773673.db2.gz LFXLIGBPGGWMHI-LBPRGKRZSA-N 1 3 281.469 3.150 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccoc1 ZINC000178106446 373743932 /nfs/dbraw/zinc/74/39/32/373743932.db2.gz QEKXKGPRHCTJTH-OAHLLOKOSA-N 1 3 264.413 3.442 20 0 CGADHO Cc1cc(NC[C@H](c2cccc(F)c2)N(C)C)cc[nH+]1 ZINC000302217071 373828614 /nfs/dbraw/zinc/82/86/14/373828614.db2.gz JHGUCHNPKQEDMJ-MRXNPFEDSA-N 1 3 273.355 3.244 20 0 CGADHO CCN(CC)[C@@H](CNc1cc[nH+]c(C)c1)c1ccco1 ZINC000302582198 373899822 /nfs/dbraw/zinc/89/98/22/373899822.db2.gz SVVKLRWJWGBPCA-HNNXBMFYSA-N 1 3 273.380 3.478 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(CN(C)C)c2)C1(C)C ZINC000181438982 374121981 /nfs/dbraw/zinc/12/19/81/374121981.db2.gz PPEFZEYYWDQDLK-IRXDYDNUSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)CN(C)C ZINC000310196404 374210035 /nfs/dbraw/zinc/21/00/35/374210035.db2.gz ANJHMCXPXCNPIA-RYUDHWBXSA-N 1 3 299.256 3.297 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1C ZINC000311819556 374257106 /nfs/dbraw/zinc/25/71/06/374257106.db2.gz MYRXQWYOCRZPTR-LRDDRELGSA-N 1 3 262.441 3.460 20 0 CGADHO Cc1cc(C)c([C@H](C)NC[C@H](C)C[NH+](C)C)cc1C ZINC000311819556 374257111 /nfs/dbraw/zinc/25/71/11/374257111.db2.gz MYRXQWYOCRZPTR-LRDDRELGSA-N 1 3 262.441 3.460 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@](C)(CN)C2)c(C)c1 ZINC000311573072 374248095 /nfs/dbraw/zinc/24/80/95/374248095.db2.gz AWZQCVGAAYNTDR-DOTOQJQBSA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@](C)(CN)C2)c(C)c1 ZINC000311573072 374248102 /nfs/dbraw/zinc/24/81/02/374248102.db2.gz AWZQCVGAAYNTDR-DOTOQJQBSA-N 1 3 260.425 3.344 20 0 CGADHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)c2ccccc12 ZINC000313962940 374312034 /nfs/dbraw/zinc/31/20/34/374312034.db2.gz GBZSDZDDLNQSQX-CQSZACIVSA-N 1 3 286.419 3.136 20 0 CGADHO COc1ccc(CNC[C@@H](C)C[NH+](C)C)c2ccccc12 ZINC000313962940 374312040 /nfs/dbraw/zinc/31/20/40/374312040.db2.gz GBZSDZDDLNQSQX-CQSZACIVSA-N 1 3 286.419 3.136 20 0 CGADHO Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)c(C)s1 ZINC000182741400 374321159 /nfs/dbraw/zinc/32/11/59/374321159.db2.gz QWOUOFCCFWBSMT-JSGCOSHPSA-N 1 3 266.454 3.500 20 0 CGADHO CC(C)n1cc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cn1 ZINC000183953724 374477558 /nfs/dbraw/zinc/47/75/58/374477558.db2.gz RVDYWZDYGAIKOT-HNNXBMFYSA-N 1 3 292.471 3.237 20 0 CGADHO CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1(C)C ZINC000185234266 374617012 /nfs/dbraw/zinc/61/70/12/374617012.db2.gz HFJYNRUMUVWZHW-UGUYLWEFSA-N 1 3 282.472 3.041 20 0 CGADHO CCSc1cccc(C[NH2+]C[C@@H]2CCN(CC)C2)c1 ZINC000185471418 374669084 /nfs/dbraw/zinc/66/90/84/374669084.db2.gz HYMKHVQADCWJRB-HNNXBMFYSA-N 1 3 278.465 3.230 20 0 CGADHO C[C@@H](NCCOC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680780 374712199 /nfs/dbraw/zinc/71/21/99/374712199.db2.gz VCXPCWAEVQOVJH-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](NCCOC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680780 374712205 /nfs/dbraw/zinc/71/22/05/374712205.db2.gz VCXPCWAEVQOVJH-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+]CCOC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185680780 374712210 /nfs/dbraw/zinc/71/22/10/374712210.db2.gz VCXPCWAEVQOVJH-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](NCCOC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680799 374713044 /nfs/dbraw/zinc/71/30/44/374713044.db2.gz VCXPCWAEVQOVJH-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](NCCOC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680799 374713049 /nfs/dbraw/zinc/71/30/49/374713049.db2.gz VCXPCWAEVQOVJH-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]([NH2+]CCOC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000185680799 374713057 /nfs/dbraw/zinc/71/30/57/374713057.db2.gz VCXPCWAEVQOVJH-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO COc1ccsc1[C@@H](C)NCCC1CC[NH+](C)CC1 ZINC000186153862 374803755 /nfs/dbraw/zinc/80/37/55/374803755.db2.gz QURCZUGLCAIFGA-GFCCVEGCSA-N 1 3 282.453 3.139 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528219 541987733 /nfs/dbraw/zinc/98/77/33/541987733.db2.gz GWAGZXQAVXMWGB-SUMWQHHRSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528219 541987736 /nfs/dbraw/zinc/98/77/36/541987736.db2.gz GWAGZXQAVXMWGB-SUMWQHHRSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCSCC1 ZINC000186942926 374941710 /nfs/dbraw/zinc/94/17/10/374941710.db2.gz DFIOPYPSZDUZHJ-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](c2ccccc2)C1 ZINC000472748116 375032098 /nfs/dbraw/zinc/03/20/98/375032098.db2.gz ILWISOBGKBOEGX-MSOLQXFVSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](c2ccccc2)C1 ZINC000472748116 375032104 /nfs/dbraw/zinc/03/21/04/375032104.db2.gz ILWISOBGKBOEGX-MSOLQXFVSA-N 1 3 272.436 3.350 20 0 CGADHO C[NH2+]CC1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000334998972 375061425 /nfs/dbraw/zinc/06/14/25/375061425.db2.gz XUQWIIAMIHUHHR-INIZCTEOSA-N 1 3 278.827 3.259 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCCN2CCCC2)c2ccccc21 ZINC000480163030 375157669 /nfs/dbraw/zinc/15/76/69/375157669.db2.gz VQEQORKSTDELDJ-KRWDZBQOSA-N 1 3 272.436 3.485 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000487279932 375217859 /nfs/dbraw/zinc/21/78/59/375217859.db2.gz WVWMPVCGXPKXPZ-JYJNAYRXSA-N 1 3 284.513 3.230 20 0 CGADHO CC(C)C1CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000488453063 375310249 /nfs/dbraw/zinc/31/02/49/375310249.db2.gz WMFIGWOYOAGSOH-UHFFFAOYSA-N 1 3 264.457 3.418 20 0 CGADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCCO1 ZINC000189098217 375324380 /nfs/dbraw/zinc/32/43/80/375324380.db2.gz PXJOTGGNFNKFNU-ROUUACIJSA-N 1 3 294.483 3.144 20 0 CGADHO Cc1ccc(CN(C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000123889034 542030119 /nfs/dbraw/zinc/03/01/19/542030119.db2.gz XEWVAHYDASSBME-UHFFFAOYSA-N 1 3 280.415 3.273 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](C)F ZINC000509119791 375771386 /nfs/dbraw/zinc/77/13/86/375771386.db2.gz DDCUYBLNYFQDEP-ILXRZTDVSA-N 1 3 258.425 3.225 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650828 375822436 /nfs/dbraw/zinc/82/24/36/375822436.db2.gz VAXBMQFJONVVSI-FUHWJXTLSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650828 375822443 /nfs/dbraw/zinc/82/24/43/375822443.db2.gz VAXBMQFJONVVSI-FUHWJXTLSA-N 1 3 274.452 3.358 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650828 375822449 /nfs/dbraw/zinc/82/24/49/375822449.db2.gz VAXBMQFJONVVSI-FUHWJXTLSA-N 1 3 274.452 3.358 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000516867883 375822996 /nfs/dbraw/zinc/82/29/96/375822996.db2.gz XCTKYZWWOJWPJG-HNNXBMFYSA-N 1 3 272.417 3.374 20 0 CGADHO CC(C)(C)C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336616977 375879068 /nfs/dbraw/zinc/87/90/68/375879068.db2.gz HJQGBNBJHHBRGV-SHWKFHJASA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336616977 375879075 /nfs/dbraw/zinc/87/90/75/375879075.db2.gz HJQGBNBJHHBRGV-SHWKFHJASA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000336616977 375879080 /nfs/dbraw/zinc/87/90/80/375879080.db2.gz HJQGBNBJHHBRGV-SHWKFHJASA-N 1 3 250.430 3.028 20 0 CGADHO CC1CC[NH+](C[C@H]2CCCN(CCC3CC3)C2)CC1 ZINC000336806363 375957305 /nfs/dbraw/zinc/95/73/05/375957305.db2.gz VUVRZDADJGLMLQ-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000336806363 375957311 /nfs/dbraw/zinc/95/73/11/375957311.db2.gz VUVRZDADJGLMLQ-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000336806363 375957317 /nfs/dbraw/zinc/95/73/17/375957317.db2.gz VUVRZDADJGLMLQ-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000336812609 375964607 /nfs/dbraw/zinc/96/46/07/375964607.db2.gz AQNREYIQIVJGBM-RHSMWYFYSA-N 1 3 262.441 3.487 20 0 CGADHO CCc1ccc([C@@H](CC)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000336812609 375964613 /nfs/dbraw/zinc/96/46/13/375964613.db2.gz AQNREYIQIVJGBM-RHSMWYFYSA-N 1 3 262.441 3.487 20 0 CGADHO COc1ccsc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652097 376110480 /nfs/dbraw/zinc/11/04/80/376110480.db2.gz GEHFFXSDBCKMPK-UHFFFAOYSA-N 1 3 296.480 3.309 20 0 CGADHO COc1ccsc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652097 376110485 /nfs/dbraw/zinc/11/04/85/376110485.db2.gz GEHFFXSDBCKMPK-UHFFFAOYSA-N 1 3 296.480 3.309 20 0 CGADHO CCN(Cc1cccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211938231 376134281 /nfs/dbraw/zinc/13/42/81/376134281.db2.gz ZDSAIZVSUYHBLL-UHFFFAOYSA-N 1 3 286.444 3.416 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000536694915 376124174 /nfs/dbraw/zinc/12/41/74/376124174.db2.gz COZUOCDEAVBIBD-RDJZCZTQSA-N 1 3 262.441 3.006 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000536694915 376124179 /nfs/dbraw/zinc/12/41/79/376124179.db2.gz COZUOCDEAVBIBD-RDJZCZTQSA-N 1 3 262.441 3.006 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)CN1CCCCC1 ZINC000222224913 376231715 /nfs/dbraw/zinc/23/17/15/376231715.db2.gz XTRTYQYINLXDJB-HZPDHXFCSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](c1ccccc1Cl)N1CCC[C@@H](CC[NH3+])C1 ZINC000226324849 376351667 /nfs/dbraw/zinc/35/16/67/376351667.db2.gz HKLRRBLWERECIP-OLZOCXBDSA-N 1 3 266.816 3.462 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]CC2=CCN(C)CC2)C(C)C)cc1 ZINC000539510340 376316134 /nfs/dbraw/zinc/31/61/34/376316134.db2.gz WULZAEPNZGPHKH-LJQANCHMSA-N 1 3 286.463 3.414 20 0 CGADHO CC(C)SCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338291862 376317986 /nfs/dbraw/zinc/31/79/86/376317986.db2.gz NXIJTZQHHHJYED-CABCVRRESA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338291862 376317989 /nfs/dbraw/zinc/31/79/89/376317989.db2.gz NXIJTZQHHHJYED-CABCVRRESA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291862 376317993 /nfs/dbraw/zinc/31/79/93/376317993.db2.gz NXIJTZQHHHJYED-CABCVRRESA-N 1 3 284.513 3.371 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000539049815 376288773 /nfs/dbraw/zinc/28/87/73/376288773.db2.gz ZDDQNKQWCIZOKQ-FUHWJXTLSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000540178778 376362305 /nfs/dbraw/zinc/36/23/05/376362305.db2.gz NQVWGORUHZCVSV-DOTOQJQBSA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000540178778 376362313 /nfs/dbraw/zinc/36/23/13/376362313.db2.gz NQVWGORUHZCVSV-DOTOQJQBSA-N 1 3 290.451 3.119 20 0 CGADHO CN(C)CCOCC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000231676697 376565026 /nfs/dbraw/zinc/56/50/26/376565026.db2.gz NYKNIXJNKOFMHM-CVEARBPZSA-N 1 3 284.488 3.149 20 0 CGADHO CN(Cc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000231669068 376565162 /nfs/dbraw/zinc/56/51/62/376565162.db2.gz GPKOCZYBHHZSPT-KRWDZBQOSA-N 1 3 268.404 3.414 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000233005435 376594696 /nfs/dbraw/zinc/59/46/96/376594696.db2.gz MMAWXPZCQATARJ-QLFBSQMISA-N 1 3 250.430 3.077 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915274 376591971 /nfs/dbraw/zinc/59/19/71/376591971.db2.gz XNSCHELTRCKVSR-PWIZWCRZSA-N 1 3 298.474 3.208 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000542915274 376591979 /nfs/dbraw/zinc/59/19/79/376591979.db2.gz XNSCHELTRCKVSR-PWIZWCRZSA-N 1 3 298.474 3.208 20 0 CGADHO CSCCCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000235173050 376634652 /nfs/dbraw/zinc/63/46/52/376634652.db2.gz ZYNKXBOJCFQLPK-LSDHHAIUSA-N 1 3 264.438 3.254 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000245714670 376890522 /nfs/dbraw/zinc/89/05/22/376890522.db2.gz CSCSQQFNORLHSH-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000245714670 376890527 /nfs/dbraw/zinc/89/05/27/376890527.db2.gz CSCSQQFNORLHSH-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC000245714670 376890528 /nfs/dbraw/zinc/89/05/28/376890528.db2.gz CSCSQQFNORLHSH-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1C ZINC000245714670 376890533 /nfs/dbraw/zinc/89/05/33/376890533.db2.gz CSCSQQFNORLHSH-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000556865194 376891714 /nfs/dbraw/zinc/89/17/14/376891714.db2.gz IZBGGEUSOGTURN-IAGOWNOFSA-N 1 3 260.425 3.272 20 0 CGADHO CCCOc1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000340282821 376979992 /nfs/dbraw/zinc/97/99/92/376979992.db2.gz IQYRGDCIHXANCQ-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CCC[C@H](C)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245841014 376916401 /nfs/dbraw/zinc/91/64/01/376916401.db2.gz JWDSZMBANOHWTA-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000245841014 376916410 /nfs/dbraw/zinc/91/64/10/376916410.db2.gz JWDSZMBANOHWTA-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@H](C)C[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000245841014 376916418 /nfs/dbraw/zinc/91/64/18/376916418.db2.gz JWDSZMBANOHWTA-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@@H]1CC[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000558226700 376985264 /nfs/dbraw/zinc/98/52/64/376985264.db2.gz QXAKSVSGPIYWEW-ZBFHGGJFSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1CC[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000558226700 376985274 /nfs/dbraw/zinc/98/52/74/376985274.db2.gz QXAKSVSGPIYWEW-ZBFHGGJFSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000558226700 376985282 /nfs/dbraw/zinc/98/52/82/376985282.db2.gz QXAKSVSGPIYWEW-ZBFHGGJFSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246235660 376995103 /nfs/dbraw/zinc/99/51/03/376995103.db2.gz TWYVEEJXPSWMMB-HOTGVXAUSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246235660 376995111 /nfs/dbraw/zinc/99/51/11/376995111.db2.gz TWYVEEJXPSWMMB-HOTGVXAUSA-N 1 3 258.409 3.165 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000340502388 377107091 /nfs/dbraw/zinc/10/70/91/377107091.db2.gz SSXCQMKPBNBIBT-BDXSIMOUSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000340502388 377107096 /nfs/dbraw/zinc/10/70/96/377107096.db2.gz SSXCQMKPBNBIBT-BDXSIMOUSA-N 1 3 270.420 3.007 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000560402823 377146087 /nfs/dbraw/zinc/14/60/87/377146087.db2.gz FZZGPLCBRDXHBC-INIZCTEOSA-N 1 3 290.426 3.489 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CC1 ZINC000247271342 377187873 /nfs/dbraw/zinc/18/78/73/377187873.db2.gz YBXQOMJAEQWDLG-GQGLESIBSA-N 1 3 264.457 3.229 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CC1 ZINC000247271342 377187875 /nfs/dbraw/zinc/18/78/75/377187875.db2.gz YBXQOMJAEQWDLG-GQGLESIBSA-N 1 3 264.457 3.229 20 0 CGADHO CCOc1ccc(C[N@H+](CC)CCCN2CCCC2)cc1 ZINC000340687923 377217453 /nfs/dbraw/zinc/21/74/53/377217453.db2.gz XQKPDFVOPDSZMF-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO CCOc1ccc(C[N@@H+](CC)CCCN2CCCC2)cc1 ZINC000340687923 377217459 /nfs/dbraw/zinc/21/74/59/377217459.db2.gz XQKPDFVOPDSZMF-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886594 377244546 /nfs/dbraw/zinc/24/45/46/377244546.db2.gz DHCAHSVGFRNDTL-NVXWUHKLSA-N 1 3 290.476 3.195 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886594 377244552 /nfs/dbraw/zinc/24/45/52/377244552.db2.gz DHCAHSVGFRNDTL-NVXWUHKLSA-N 1 3 290.476 3.195 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2ccccc2C)C1 ZINC000247987174 377253018 /nfs/dbraw/zinc/25/30/18/377253018.db2.gz IYKJBAFAYYXXSS-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccccc2C)C1 ZINC000247987174 377253023 /nfs/dbraw/zinc/25/30/23/377253023.db2.gz IYKJBAFAYYXXSS-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000247987174 377253026 /nfs/dbraw/zinc/25/30/26/377253026.db2.gz IYKJBAFAYYXXSS-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000247987174 377253031 /nfs/dbraw/zinc/25/30/31/377253031.db2.gz IYKJBAFAYYXXSS-CVEARBPZSA-N 1 3 260.425 3.330 20 0 CGADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000248181490 377276385 /nfs/dbraw/zinc/27/63/85/377276385.db2.gz WNFBBUMPZNBQTP-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000248181490 377276389 /nfs/dbraw/zinc/27/63/89/377276389.db2.gz WNFBBUMPZNBQTP-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(C)s1 ZINC000248181490 377276394 /nfs/dbraw/zinc/27/63/94/377276394.db2.gz WNFBBUMPZNBQTP-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(C)s1 ZINC000248181490 377276397 /nfs/dbraw/zinc/27/63/97/377276397.db2.gz WNFBBUMPZNBQTP-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000161610930 542159673 /nfs/dbraw/zinc/15/96/73/542159673.db2.gz FDWJXKADSRPYHL-KSSFIOAISA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000562855877 377366704 /nfs/dbraw/zinc/36/67/04/377366704.db2.gz ZDERSQYBXBNDES-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000562956225 377376930 /nfs/dbraw/zinc/37/69/30/377376930.db2.gz PCIYTSBVWWDUNO-HZPDHXFCSA-N 1 3 275.440 3.005 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000562956225 377376934 /nfs/dbraw/zinc/37/69/34/377376934.db2.gz PCIYTSBVWWDUNO-HZPDHXFCSA-N 1 3 275.440 3.005 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000341168278 377428496 /nfs/dbraw/zinc/42/84/96/377428496.db2.gz GEHHRVJTRAJQMC-UHFFFAOYSA-N 1 3 298.377 3.062 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000563424307 377461462 /nfs/dbraw/zinc/46/14/62/377461462.db2.gz KYUNRMGHOLNBHW-BDXSIMOUSA-N 1 3 288.435 3.014 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249371238 377494736 /nfs/dbraw/zinc/49/47/36/377494736.db2.gz BVKBRCKFCWOLQC-ZFWWWQNUSA-N 1 3 276.449 3.155 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000249380367 377496365 /nfs/dbraw/zinc/49/63/65/377496365.db2.gz QEFLFZLNDXKJLO-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCCc3ccccc32)C1 ZINC000249380367 377496371 /nfs/dbraw/zinc/49/63/71/377496371.db2.gz QEFLFZLNDXKJLO-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCCc3ccccc32)C1 ZINC000249380367 377496373 /nfs/dbraw/zinc/49/63/73/377496373.db2.gz QEFLFZLNDXKJLO-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000249378454 377497221 /nfs/dbraw/zinc/49/72/21/377497221.db2.gz NXEGCARUFVFBSK-NEPJUHHUSA-N 1 3 284.806 3.472 20 0 CGADHO C[C@@H]1CCC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000086675279 249018199 /nfs/dbraw/zinc/01/81/99/249018199.db2.gz KDUUBJXOYSIOLG-GDBMZVCRSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451205 249037162 /nfs/dbraw/zinc/03/71/62/249037162.db2.gz LSZCEPFFVDTZJJ-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO Clc1sccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000312747052 249082819 /nfs/dbraw/zinc/08/28/19/249082819.db2.gz POIQPQQZSVQVHC-NSHDSACASA-N 1 3 258.818 3.023 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000469858118 249160338 /nfs/dbraw/zinc/16/03/38/249160338.db2.gz BFJWRIVUJPHFRW-BHYGNILZSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000469858118 249160341 /nfs/dbraw/zinc/16/03/41/249160341.db2.gz BFJWRIVUJPHFRW-BHYGNILZSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000469988531 249164568 /nfs/dbraw/zinc/16/45/68/249164568.db2.gz BWZHSDSFMRKFQY-OIISXLGYSA-N 1 3 260.425 3.239 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000250453996 377560170 /nfs/dbraw/zinc/56/01/70/377560170.db2.gz ZWTMROSYOTZODY-VXGBXAGGSA-N 1 3 284.806 3.472 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000469988531 249164570 /nfs/dbraw/zinc/16/45/70/249164570.db2.gz BWZHSDSFMRKFQY-OIISXLGYSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000469988531 249164574 /nfs/dbraw/zinc/16/45/74/249164574.db2.gz BWZHSDSFMRKFQY-OIISXLGYSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)C[C@H]1CCCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000469987249 249164888 /nfs/dbraw/zinc/16/48/88/249164888.db2.gz MMBZTAFTHIJILR-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)C[C@H]1CCCCC[N@H+]1C[C@H]1CCCNC1 ZINC000469987249 249164890 /nfs/dbraw/zinc/16/48/90/249164890.db2.gz MMBZTAFTHIJILR-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000573693710 377563227 /nfs/dbraw/zinc/56/32/27/377563227.db2.gz BVPRJRKKFQUMSZ-ZBFHGGJFSA-N 1 3 252.446 3.182 20 0 CGADHO Cc1cc(F)ccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251032294 377572541 /nfs/dbraw/zinc/57/25/41/377572541.db2.gz DYXCBLWUCKWWIH-RCCFBDPRSA-N 1 3 290.426 3.187 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251152458 377574143 /nfs/dbraw/zinc/57/41/43/377574143.db2.gz AXBRFLXKXQCVOO-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251152458 377574147 /nfs/dbraw/zinc/57/41/47/377574147.db2.gz AXBRFLXKXQCVOO-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCCS1 ZINC000250798988 377565975 /nfs/dbraw/zinc/56/59/75/377565975.db2.gz BCXCWFVVKLAXJN-CAOSSQGBSA-N 1 3 282.497 3.173 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCCCS1 ZINC000250798988 377565988 /nfs/dbraw/zinc/56/59/88/377565988.db2.gz BCXCWFVVKLAXJN-CAOSSQGBSA-N 1 3 282.497 3.173 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCCc2ccccc21 ZINC000251255784 377578723 /nfs/dbraw/zinc/57/87/23/377578723.db2.gz VFDPLFYYDUHVTO-KMFMINBZSA-N 1 3 258.409 3.184 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000251262799 377578752 /nfs/dbraw/zinc/57/87/52/377578752.db2.gz XUPYNFDYDDOXTK-ARFHVFGLSA-N 1 3 278.465 3.457 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000252119609 377615261 /nfs/dbraw/zinc/61/52/61/377615261.db2.gz JDBUIVCPKFNFLJ-JKJDWNRSSA-N 1 3 250.430 3.028 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3c(F)cccc32)C1 ZINC000574290108 377646051 /nfs/dbraw/zinc/64/60/51/377646051.db2.gz GSYOVVGUTJODIR-BFQNTYOBSA-N 1 3 262.372 3.063 20 0 CGADHO CC[C@@H]1CCC[C@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000182998016 542227558 /nfs/dbraw/zinc/22/75/58/542227558.db2.gz STKWTFUOVBKOMW-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(Br)cc1 ZINC000261563272 377818036 /nfs/dbraw/zinc/81/80/36/377818036.db2.gz WXDPHRUCIVOAMB-COPLHBTASA-N 1 3 297.240 3.098 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCNC1 ZINC000261570900 377818068 /nfs/dbraw/zinc/81/80/68/377818068.db2.gz PSRCWPGJXGSCDW-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H]1CCCNC1 ZINC000261570900 377818077 /nfs/dbraw/zinc/81/80/77/377818077.db2.gz PSRCWPGJXGSCDW-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](c1ccccc1)N(CC)C[C@H]1CCC[NH2+]C1 ZINC000261570900 377818087 /nfs/dbraw/zinc/81/80/87/377818087.db2.gz PSRCWPGJXGSCDW-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO [NH3+]C1(CNc2ccnc3ccccc32)CCCCC1 ZINC000261581216 377821035 /nfs/dbraw/zinc/82/10/35/377821035.db2.gz FYTHXCOCINSLSP-UHFFFAOYSA-N 1 3 255.365 3.308 20 0 CGADHO Cc1ccccc1C[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261962716 377872820 /nfs/dbraw/zinc/87/28/20/377872820.db2.gz HLQWEZBAMMRTMM-ROUUACIJSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262028307 377880026 /nfs/dbraw/zinc/88/00/26/377880026.db2.gz NSNBRVBRSHTTGY-NUJGCVRESA-N 1 3 272.436 3.172 20 0 CGADHO COc1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000262324961 377893331 /nfs/dbraw/zinc/89/33/31/377893331.db2.gz RNRYCAIXAKKRFO-CABCVRRESA-N 1 3 298.430 3.408 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261714606 377845596 /nfs/dbraw/zinc/84/55/96/377845596.db2.gz FAWGBOBDWASKNQ-IRXDYDNUSA-N 1 3 258.409 3.132 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122260 377907309 /nfs/dbraw/zinc/90/73/09/377907309.db2.gz TYLJAJIUTDVUBZ-DJSGYFEHSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122260 377907311 /nfs/dbraw/zinc/90/73/11/377907311.db2.gz TYLJAJIUTDVUBZ-DJSGYFEHSA-N 1 3 278.827 3.400 20 0 CGADHO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011551 378152237 /nfs/dbraw/zinc/15/22/37/378152237.db2.gz DSVMXJQVZRRLNH-HOTGVXAUSA-N 1 3 294.487 3.105 20 0 CGADHO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011551 378152243 /nfs/dbraw/zinc/15/22/43/378152243.db2.gz DSVMXJQVZRRLNH-HOTGVXAUSA-N 1 3 294.487 3.105 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135548 378192186 /nfs/dbraw/zinc/19/21/86/378192186.db2.gz RFBWBJDIRAGWAA-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135548 378192189 /nfs/dbraw/zinc/19/21/89/378192189.db2.gz RFBWBJDIRAGWAA-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135548 378192193 /nfs/dbraw/zinc/19/21/93/378192193.db2.gz RFBWBJDIRAGWAA-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135548 378192195 /nfs/dbraw/zinc/19/21/95/378192195.db2.gz RFBWBJDIRAGWAA-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000580015713 378216675 /nfs/dbraw/zinc/21/66/75/378216675.db2.gz XSQYBFXEVPSOTE-SZMVWBNQSA-N 1 3 276.468 3.397 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000580015713 378216679 /nfs/dbraw/zinc/21/66/79/378216679.db2.gz XSQYBFXEVPSOTE-SZMVWBNQSA-N 1 3 276.468 3.397 20 0 CGADHO CC[N@H+](CCCc1cccc(F)c1)[C@H]1CCCNCC1 ZINC000345193581 378220228 /nfs/dbraw/zinc/22/02/28/378220228.db2.gz WLLDVNIRYGSPJF-KRWDZBQOSA-N 1 3 278.415 3.222 20 0 CGADHO CC[N@@H+](CCCc1cccc(F)c1)[C@H]1CCCNCC1 ZINC000345193581 378220232 /nfs/dbraw/zinc/22/02/32/378220232.db2.gz WLLDVNIRYGSPJF-KRWDZBQOSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000268995814 378168975 /nfs/dbraw/zinc/16/89/75/378168975.db2.gz KNXOGLZMNOZDEU-ZIAGYGMSSA-N 1 3 271.408 3.226 20 0 CGADHO CC(C)Oc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000582116340 378287450 /nfs/dbraw/zinc/28/74/50/378287450.db2.gz WULZRPHDUKDWTR-ROUUACIJSA-N 1 3 290.451 3.266 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000580766593 378256327 /nfs/dbraw/zinc/25/63/27/378256327.db2.gz MAYBTOHTMBYDOV-NVXWUHKLSA-N 1 3 292.442 3.467 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Cl ZINC000583823357 378350291 /nfs/dbraw/zinc/35/02/91/378350291.db2.gz USOAHVOXRVWINE-MELADBBJSA-N 1 3 296.842 3.357 20 0 CGADHO CCC[NH+]1CCC(N(C)Cc2cccc3cc[nH]c32)CC1 ZINC000271128237 378457375 /nfs/dbraw/zinc/45/73/75/378457375.db2.gz OEWTYSFOOJQDEU-UHFFFAOYSA-N 1 3 285.435 3.474 20 0 CGADHO N[C@H]1CCC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000346081637 378458069 /nfs/dbraw/zinc/45/80/69/378458069.db2.gz DPBSNIXPERXGCA-KRWDZBQOSA-N 1 3 268.404 3.196 20 0 CGADHO N[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000346081637 378458072 /nfs/dbraw/zinc/45/80/72/378458072.db2.gz DPBSNIXPERXGCA-KRWDZBQOSA-N 1 3 268.404 3.196 20 0 CGADHO CCc1ccc([C@@H](CNc2cc[nH+]cc2C)N(C)C)cc1 ZINC000346121892 378470127 /nfs/dbraw/zinc/47/01/27/378470127.db2.gz MLSXIYQZSZUBFE-GOSISDBHSA-N 1 3 283.419 3.089 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265100 378486257 /nfs/dbraw/zinc/48/62/57/378486257.db2.gz IAXYHZSPZSLXIB-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265100 378486261 /nfs/dbraw/zinc/48/62/61/378486261.db2.gz IAXYHZSPZSLXIB-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265100 378486266 /nfs/dbraw/zinc/48/62/66/378486266.db2.gz IAXYHZSPZSLXIB-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265100 378486270 /nfs/dbraw/zinc/48/62/70/378486270.db2.gz IAXYHZSPZSLXIB-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO CN(Cc1cccc(-c2ccncc2)c1)CC(C)(C)C[NH3+] ZINC000346685907 378674526 /nfs/dbraw/zinc/67/45/26/378674526.db2.gz QUSNNMCRPZAFEX-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccncc2)c1)CC(C)(C)CN ZINC000346685907 378674539 /nfs/dbraw/zinc/67/45/39/378674539.db2.gz QUSNNMCRPZAFEX-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccncc2)c1)CC(C)(C)CN ZINC000346685907 378674545 /nfs/dbraw/zinc/67/45/45/378674545.db2.gz QUSNNMCRPZAFEX-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cccnc1Cl ZINC000272625491 378679335 /nfs/dbraw/zinc/67/93/35/378679335.db2.gz ZCSDZTWZCCQGTA-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO c1ccc(SC[C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346975593 378702383 /nfs/dbraw/zinc/70/23/83/378702383.db2.gz JLXZTLCDIAKUBQ-HZPDHXFCSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346975593 378702390 /nfs/dbraw/zinc/70/23/90/378702390.db2.gz JLXZTLCDIAKUBQ-HZPDHXFCSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975593 378702396 /nfs/dbraw/zinc/70/23/96/378702396.db2.gz JLXZTLCDIAKUBQ-HZPDHXFCSA-N 1 3 290.476 3.100 20 0 CGADHO Cc1ccoc1CNCCCC[NH+]1CCC(C)CC1 ZINC000266177213 190237543 /nfs/dbraw/zinc/23/75/43/190237543.db2.gz FEIXXSWNTDKJOD-UHFFFAOYSA-N 1 3 264.413 3.190 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNC[C@@H](OC)C2CC2)cc1 ZINC000638309965 378766461 /nfs/dbraw/zinc/76/64/61/378766461.db2.gz TZSBFKCZYFSOCK-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070227 378776178 /nfs/dbraw/zinc/77/61/78/378776178.db2.gz IRQKKVZLXMBCDP-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070227 378776185 /nfs/dbraw/zinc/77/61/85/378776185.db2.gz IRQKKVZLXMBCDP-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO Cc1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sn1 ZINC000638371246 378781995 /nfs/dbraw/zinc/78/19/95/378781995.db2.gz PAZLHPCMBOPERN-ZIAGYGMSSA-N 1 3 295.496 3.299 20 0 CGADHO C[C@@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000638377543 378783781 /nfs/dbraw/zinc/78/37/81/378783781.db2.gz PVCBNEXYFHRPCC-YRXWBPOGSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000638377543 378783792 /nfs/dbraw/zinc/78/37/92/378783792.db2.gz PVCBNEXYFHRPCC-YRXWBPOGSA-N 1 3 284.447 3.397 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346833854 218029003 /nfs/dbraw/zinc/02/90/03/218029003.db2.gz MRVALYQGEBMEDZ-KRWDZBQOSA-N 1 3 260.425 3.144 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346833854 218029004 /nfs/dbraw/zinc/02/90/04/218029004.db2.gz MRVALYQGEBMEDZ-KRWDZBQOSA-N 1 3 260.425 3.144 20 0 CGADHO CC(C)CN(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346833854 218029007 /nfs/dbraw/zinc/02/90/07/218029007.db2.gz MRVALYQGEBMEDZ-KRWDZBQOSA-N 1 3 260.425 3.144 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346854247 218038021 /nfs/dbraw/zinc/03/80/21/218038021.db2.gz TZPLKYALOWVBHL-VBNZEHGJSA-N 1 3 278.827 3.126 20 0 CGADHO CCC[N@H+](Cc1cc(C)c(OC)c(C)c1)C1CCNCC1 ZINC000347006366 218089809 /nfs/dbraw/zinc/08/98/09/218089809.db2.gz PYVMXHFZXBLSDU-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C1CCNCC1 ZINC000347006366 218089810 /nfs/dbraw/zinc/08/98/10/218089810.db2.gz PYVMXHFZXBLSDU-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCCN(Cc1cc(C)c(OC)c(C)c1)C1CC[NH2+]CC1 ZINC000347006366 218089811 /nfs/dbraw/zinc/08/98/11/218089811.db2.gz PYVMXHFZXBLSDU-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584386 194055227 /nfs/dbraw/zinc/05/52/27/194055227.db2.gz QEUIAFDRUDMISM-DZGCQCFKSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584386 194055229 /nfs/dbraw/zinc/05/52/29/194055229.db2.gz QEUIAFDRUDMISM-DZGCQCFKSA-N 1 3 296.480 3.208 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000276831299 379005019 /nfs/dbraw/zinc/00/50/19/379005019.db2.gz BMBQLBIYMPUAHC-IAGOWNOFSA-N 1 3 292.492 3.368 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000276831295 379004344 /nfs/dbraw/zinc/00/43/44/379004344.db2.gz BMBQLBIYMPUAHC-DLBZAZTESA-N 1 3 292.492 3.368 20 0 CGADHO COCCC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000370654122 379046460 /nfs/dbraw/zinc/04/64/60/379046460.db2.gz WUKLCWZGRXFKDL-INIZCTEOSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000639170054 379088669 /nfs/dbraw/zinc/08/86/69/379088669.db2.gz OYJONTJBVHQPNH-INIZCTEOSA-N 1 3 290.451 3.164 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000639170054 379088679 /nfs/dbraw/zinc/08/86/79/379088679.db2.gz OYJONTJBVHQPNH-INIZCTEOSA-N 1 3 290.451 3.164 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000639170054 379088687 /nfs/dbraw/zinc/08/86/87/379088687.db2.gz OYJONTJBVHQPNH-INIZCTEOSA-N 1 3 290.451 3.164 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CCSC1 ZINC000289467643 197361664 /nfs/dbraw/zinc/36/16/64/197361664.db2.gz PCEXEGDJWRNRKQ-KRWDZBQOSA-N 1 3 292.492 3.323 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CCSC1 ZINC000289467643 197361666 /nfs/dbraw/zinc/36/16/66/197361666.db2.gz PCEXEGDJWRNRKQ-KRWDZBQOSA-N 1 3 292.492 3.323 20 0 CGADHO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277601292 379197440 /nfs/dbraw/zinc/19/74/40/379197440.db2.gz VRCMSCTXNXLBKO-DOTOQJQBSA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277601292 379197444 /nfs/dbraw/zinc/19/74/44/379197444.db2.gz VRCMSCTXNXLBKO-DOTOQJQBSA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@@H](C)CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277601292 379197449 /nfs/dbraw/zinc/19/74/49/379197449.db2.gz VRCMSCTXNXLBKO-DOTOQJQBSA-N 1 3 290.451 3.215 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000568784525 322222664 /nfs/dbraw/zinc/22/26/64/322222664.db2.gz GIAPGAMZOPIYBG-NVXWUHKLSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000639360361 379319057 /nfs/dbraw/zinc/31/90/57/379319057.db2.gz WADMSYDJNCGLRD-JOCBIADPSA-N 1 3 272.436 3.000 20 0 CGADHO CC1([NH+]2CCCC2)CCN(C[C@@H]2CC=CCC2)CC1 ZINC000639375322 379331735 /nfs/dbraw/zinc/33/17/35/379331735.db2.gz TWAGOLRHRHURDJ-MRXNPFEDSA-N 1 3 262.441 3.293 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cccc(F)c1F ZINC000278384280 379368843 /nfs/dbraw/zinc/36/88/43/379368843.db2.gz FKUNIDSYUUVXGP-LBPRGKRZSA-N 1 3 294.389 3.490 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534010 379457425 /nfs/dbraw/zinc/45/74/25/379457425.db2.gz SVSMNVFEZJGMPI-KBXCAEBGSA-N 1 3 289.467 3.169 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534010 379457429 /nfs/dbraw/zinc/45/74/29/379457429.db2.gz SVSMNVFEZJGMPI-KBXCAEBGSA-N 1 3 289.467 3.169 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000639581838 379489605 /nfs/dbraw/zinc/48/96/05/379489605.db2.gz ZOTSWMATCKVXEI-UXLLHSPISA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581838 379489609 /nfs/dbraw/zinc/48/96/09/379489609.db2.gz ZOTSWMATCKVXEI-UXLLHSPISA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581838 379489612 /nfs/dbraw/zinc/48/96/12/379489612.db2.gz ZOTSWMATCKVXEI-UXLLHSPISA-N 1 3 294.483 3.044 20 0 CGADHO FC1(F)CC[C@@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684491 379545663 /nfs/dbraw/zinc/54/56/63/379545663.db2.gz VSIMCMAHFHLNLE-CQSZACIVSA-N 1 3 295.377 3.029 20 0 CGADHO FC1(F)CC[C@@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684491 379545672 /nfs/dbraw/zinc/54/56/72/379545672.db2.gz VSIMCMAHFHLNLE-CQSZACIVSA-N 1 3 295.377 3.029 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3sccc3Cl)C2)CC1 ZINC000639756253 379569672 /nfs/dbraw/zinc/56/96/72/379569672.db2.gz SXFTXRFKSGCETO-UHFFFAOYSA-N 1 3 284.856 3.319 20 0 CGADHO C[C@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534853 379847014 /nfs/dbraw/zinc/84/70/14/379847014.db2.gz JVSRJYOBCNQWQI-RHSMWYFYSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H](c1ccncc1)N(C)CCCC[NH+]1CCCCC1 ZINC000640530365 379818996 /nfs/dbraw/zinc/81/89/96/379818996.db2.gz DBQHFITZZBOPHC-MRXNPFEDSA-N 1 3 275.440 3.341 20 0 CGADHO CC1CCN(CCC[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352700294 379915063 /nfs/dbraw/zinc/91/50/63/379915063.db2.gz MEPJGXYUBLTUMN-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO CC1CC[NH+](CCCNC2CC(OC(C)(C)C)C2)CC1 ZINC000352700294 379915070 /nfs/dbraw/zinc/91/50/70/379915070.db2.gz MEPJGXYUBLTUMN-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282331721 379899253 /nfs/dbraw/zinc/89/92/53/379899253.db2.gz OFFFMJWJENETES-RRFJBIMHSA-N 1 3 297.446 3.098 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC2(C)C)CC1 ZINC000414221601 380202178 /nfs/dbraw/zinc/20/21/78/380202178.db2.gz MHUKIKNJXPWGSZ-KBMXLJTQSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000414221601 380202182 /nfs/dbraw/zinc/20/21/82/380202182.db2.gz MHUKIKNJXPWGSZ-KBMXLJTQSA-N 1 3 264.457 3.418 20 0 CGADHO C[N@H+](CCCCF)CCC1CCN(c2ccncc2)CC1 ZINC000285538583 380150715 /nfs/dbraw/zinc/15/07/15/380150715.db2.gz HKRLERBVDCBWIK-UHFFFAOYSA-N 1 3 293.430 3.370 20 0 CGADHO C[N@@H+](CCCCF)CCC1CCN(c2ccncc2)CC1 ZINC000285538583 380150719 /nfs/dbraw/zinc/15/07/19/380150719.db2.gz HKRLERBVDCBWIK-UHFFFAOYSA-N 1 3 293.430 3.370 20 0 CGADHO C[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@H]1CCCNC1 ZINC000643482085 380319167 /nfs/dbraw/zinc/31/91/67/380319167.db2.gz ALPKGRFRIUMJRB-HIFRSBDPSA-N 1 3 296.405 3.265 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)c1ccncc1 ZINC000643460291 380311923 /nfs/dbraw/zinc/31/19/23/380311923.db2.gz MWDZCUUZZFKZJD-ZMSDIMECSA-N 1 3 275.440 3.086 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548947 380365047 /nfs/dbraw/zinc/36/50/47/380365047.db2.gz XVWBLWONHDEQHJ-LVQVYYBASA-N 1 3 264.457 3.466 20 0 CGADHO C1CC1[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643549050 380366763 /nfs/dbraw/zinc/36/67/63/380366763.db2.gz ZKUYDNATRJFKQM-JKSUJKDBSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@H]1C[C@H](CN(Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682183 380370795 /nfs/dbraw/zinc/37/07/95/380370795.db2.gz XZTQUWKJXXVUBT-QWHCGFSZSA-N 1 3 294.389 3.317 20 0 CGADHO CC[N@H+](C[C@H](C)Cc1ccccc1)[C@H]1CCCNCC1 ZINC000414713456 380384849 /nfs/dbraw/zinc/38/48/49/380384849.db2.gz KQHJRFKZDAXERK-AEFFLSMTSA-N 1 3 274.452 3.329 20 0 CGADHO CC[N@@H+](C[C@H](C)Cc1ccccc1)[C@H]1CCCNCC1 ZINC000414713456 380384855 /nfs/dbraw/zinc/38/48/55/380384855.db2.gz KQHJRFKZDAXERK-AEFFLSMTSA-N 1 3 274.452 3.329 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2CN)cc2cccnc12 ZINC000414768263 380397017 /nfs/dbraw/zinc/39/70/17/380397017.db2.gz LOGWVPMHZPIJKM-DYVFJYSZSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2CN)cc2cccnc12 ZINC000414768263 380397020 /nfs/dbraw/zinc/39/70/20/380397020.db2.gz LOGWVPMHZPIJKM-DYVFJYSZSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCCNCC2)C2CC2)cc1 ZINC000643521953 380337784 /nfs/dbraw/zinc/33/77/84/380337784.db2.gz FTDPQFAKZQNUOW-ROUUACIJSA-N 1 3 272.436 3.048 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+]Cc1ccc3c(c1)CNC3)C2 ZINC000643523903 380340791 /nfs/dbraw/zinc/34/07/91/380340791.db2.gz NCMUPDZTPAFTHE-FQEVSTJZSA-N 1 3 292.426 3.327 20 0 CGADHO C[C@@H]([NH3+])CN[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000643527086 380342930 /nfs/dbraw/zinc/34/29/30/380342930.db2.gz CVXLEVQMJWELAH-CABCVRRESA-N 1 3 268.404 3.144 20 0 CGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H](C)N ZINC000643528863 380345420 /nfs/dbraw/zinc/34/54/20/380345420.db2.gz QGKNOVWKMDOZDT-RYUDHWBXSA-N 1 3 289.448 3.425 20 0 CGADHO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643528689 380345468 /nfs/dbraw/zinc/34/54/68/380345468.db2.gz NCBKSPUCRLIJCV-NEPJUHHUSA-N 1 3 252.427 3.185 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1nccc2ccccc21 ZINC000643536292 380352386 /nfs/dbraw/zinc/35/23/86/380352386.db2.gz PZVWQAMIKQTDGD-CZUORRHYSA-N 1 3 281.403 3.028 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414654687 380354512 /nfs/dbraw/zinc/35/45/12/380354512.db2.gz CJYCYZHDCMPBLY-JOCBIADPSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414654687 380354516 /nfs/dbraw/zinc/35/45/16/380354516.db2.gz CJYCYZHDCMPBLY-JOCBIADPSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643546664 380361990 /nfs/dbraw/zinc/36/19/90/380361990.db2.gz SOTQYVHNZVNOHI-VXGBXAGGSA-N 1 3 250.411 3.073 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCC(F)(F)CC1 ZINC000643548010 380363166 /nfs/dbraw/zinc/36/31/66/380363166.db2.gz LQMPPHCKYFGIRD-JSGCOSHPSA-N 1 3 286.410 3.465 20 0 CGADHO CC(C)Oc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414813443 380424449 /nfs/dbraw/zinc/42/44/49/380424449.db2.gz YJDCFXBITAJPCA-RDJZCZTQSA-N 1 3 276.424 3.081 20 0 CGADHO COc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414814676 380425915 /nfs/dbraw/zinc/42/59/15/380425915.db2.gz VWNJDIOBTAAZJH-CYBMUJFWSA-N 1 3 270.376 3.005 20 0 CGADHO Cc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414815821 380427947 /nfs/dbraw/zinc/42/79/47/380427947.db2.gz YGSNSKANPKEWBA-AWEZNQCLSA-N 1 3 254.377 3.305 20 0 CGADHO Cc1cc(C)c(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000414843295 380449908 /nfs/dbraw/zinc/44/99/08/380449908.db2.gz BRGYJQCTUIHIGV-CVEARBPZSA-N 1 3 260.425 3.090 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777231 380400649 /nfs/dbraw/zinc/40/06/49/380400649.db2.gz HUHRVXMODWJULU-QWHCGFSZSA-N 1 3 296.817 3.301 20 0 CGADHO Fc1cccc(-c2ccc(C[NH2+]C3CCNCC3)s2)c1 ZINC000414781244 380402919 /nfs/dbraw/zinc/40/29/19/380402919.db2.gz BUKCVTKZHOOORE-UHFFFAOYSA-N 1 3 290.407 3.396 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1csc2ccccc12 ZINC000414791600 380406886 /nfs/dbraw/zinc/40/68/86/380406886.db2.gz IABYTCVDXROXOP-BXUZGUMPSA-N 1 3 260.406 3.118 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2ccccc2c1 ZINC000414793623 380408257 /nfs/dbraw/zinc/40/82/57/380408257.db2.gz KZFNHFSVKJSMJF-IAGOWNOFSA-N 1 3 254.377 3.057 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000414800115 380412940 /nfs/dbraw/zinc/41/29/40/380412940.db2.gz KSNMPXHNPKQQEN-PKOBYXMFSA-N 1 3 295.430 3.356 20 0 CGADHO CC(C)[C@@H]([NH3+])CNC(Cc1ccccc1)Cc1ccccc1 ZINC000414801116 380414528 /nfs/dbraw/zinc/41/45/28/380414528.db2.gz TVMIGKQUAATGOK-FQEVSTJZSA-N 1 3 296.458 3.413 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000414806384 380418606 /nfs/dbraw/zinc/41/86/06/380418606.db2.gz QCZQOKFIUKUFSO-RDHHWEPZSA-N 1 3 258.409 3.040 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000414809107 380420784 /nfs/dbraw/zinc/42/07/84/380420784.db2.gz TYHIWHXYSYIJNT-MJGOQNOKSA-N 1 3 295.430 3.356 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906809 380484639 /nfs/dbraw/zinc/48/46/39/380484639.db2.gz MTCOTFSBKDBAPZ-YQQAZPJKSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H]1c1ccccc1 ZINC000414931753 380494084 /nfs/dbraw/zinc/49/40/84/380494084.db2.gz UXUMFAKKRKPXQT-IIHMKKKESA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000414931753 380494090 /nfs/dbraw/zinc/49/40/90/380494090.db2.gz UXUMFAKKRKPXQT-IIHMKKKESA-N 1 3 258.409 3.038 20 0 CGADHO Cc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000415053984 380507583 /nfs/dbraw/zinc/50/75/83/380507583.db2.gz PHYVFVBCOGSABY-GOEBONIOSA-N 1 3 278.465 3.329 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCNC1 ZINC000414858611 380459315 /nfs/dbraw/zinc/45/93/15/380459315.db2.gz SDMWIQFPUGVSKJ-RYUDHWBXSA-N 1 3 286.872 3.312 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NC[C@H]1CCC[NH2+]C1 ZINC000414858611 380459321 /nfs/dbraw/zinc/45/93/21/380459321.db2.gz SDMWIQFPUGVSKJ-RYUDHWBXSA-N 1 3 286.872 3.312 20 0 CGADHO CC(C)CCOc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000414876410 380470159 /nfs/dbraw/zinc/47/01/59/380470159.db2.gz DKHHOTCWFIJSHU-UHFFFAOYSA-N 1 3 276.424 3.083 20 0 CGADHO C[C@H](CN)C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000414881663 380472328 /nfs/dbraw/zinc/47/23/28/380472328.db2.gz SLUNECBNCDOLHR-MRXNPFEDSA-N 1 3 282.431 3.025 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(-c2cccc(F)c2)s1 ZINC000414892686 380475948 /nfs/dbraw/zinc/47/59/48/380475948.db2.gz XKDOKCQFWNVRBP-NSHDSACASA-N 1 3 278.396 3.381 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NC[C@H]([NH3+])C1CC1 ZINC000414895486 380478434 /nfs/dbraw/zinc/47/84/34/380478434.db2.gz XQDGFIDEMPQWNH-CABZTGNLSA-N 1 3 272.845 3.050 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CCCNC1 ZINC000414898267 380479779 /nfs/dbraw/zinc/47/97/79/380479779.db2.gz BBMIFSQGNZGKNB-SQNIBIBYSA-N 1 3 272.436 3.302 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322295 380592587 /nfs/dbraw/zinc/59/25/87/380592587.db2.gz MPDIBNJHLRRIFC-QLFBSQMISA-N 1 3 278.465 3.316 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCSCC1 ZINC000355135894 380593504 /nfs/dbraw/zinc/59/35/04/380593504.db2.gz OXNJQYFHTWNHLO-CQSZACIVSA-N 1 3 284.513 3.230 20 0 CGADHO c1cnc2c(c1)CCC[C@@H]2NCCCCC[NH+]1CCCC1 ZINC000645493966 380691109 /nfs/dbraw/zinc/69/11/09/380691109.db2.gz WFMGLDGWEVAKKZ-KRWDZBQOSA-N 1 3 287.451 3.315 20 0 CGADHO CCSCCNC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000355736995 380763887 /nfs/dbraw/zinc/76/38/87/380763887.db2.gz PSGGLCZDAANIBO-HNNXBMFYSA-N 1 3 272.502 3.230 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000227569196 542294308 /nfs/dbraw/zinc/29/43/08/542294308.db2.gz LHJZJNKVBXBWEA-IACUBPJLSA-N 1 3 250.361 3.055 20 0 CGADHO C(CN1CCC[C@@H]1C1CC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000365475483 382287137 /nfs/dbraw/zinc/28/71/37/382287137.db2.gz BVVKWTMCAINUDM-IAGOWNOFSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000365475483 382287140 /nfs/dbraw/zinc/28/71/40/382287140.db2.gz BVVKWTMCAINUDM-IAGOWNOFSA-N 1 3 262.441 3.125 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127242 382334649 /nfs/dbraw/zinc/33/46/49/382334649.db2.gz RILJVDPSHXOIFG-UJCHZGTJSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127242 382334654 /nfs/dbraw/zinc/33/46/54/382334654.db2.gz RILJVDPSHXOIFG-UJCHZGTJSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127242 382334658 /nfs/dbraw/zinc/33/46/58/382334658.db2.gz RILJVDPSHXOIFG-UJCHZGTJSA-N 1 3 284.447 3.395 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000245642660 542322724 /nfs/dbraw/zinc/32/27/24/542322724.db2.gz DXBYOSXHOGQKEH-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000245642660 542322728 /nfs/dbraw/zinc/32/27/28/542322728.db2.gz DXBYOSXHOGQKEH-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000245642660 542322732 /nfs/dbraw/zinc/32/27/32/542322732.db2.gz DXBYOSXHOGQKEH-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000245642660 542322733 /nfs/dbraw/zinc/32/27/33/542322733.db2.gz DXBYOSXHOGQKEH-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CC[C@@H]1CN(CC[C@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000251637313 542347775 /nfs/dbraw/zinc/34/77/75/542347775.db2.gz FTSIQFUDINWYRH-UXLLHSPISA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@H](C)c2ccccc2)CC[C@@H]1N ZINC000251637313 542347777 /nfs/dbraw/zinc/34/77/77/542347777.db2.gz FTSIQFUDINWYRH-UXLLHSPISA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@H](C)c2ccccc2)CC[C@@H]1N ZINC000251637313 542347778 /nfs/dbraw/zinc/34/77/78/542347778.db2.gz FTSIQFUDINWYRH-UXLLHSPISA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1CN(Cc2cc(C)nc3ccccc23)CC[C@H]1[NH3+] ZINC000251876527 542349116 /nfs/dbraw/zinc/34/91/16/542349116.db2.gz UWDBASZRZHDSRS-RHSMWYFYSA-N 1 3 283.419 3.102 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423453736 532992820 /nfs/dbraw/zinc/99/28/20/532992820.db2.gz XZGIODRBAOVLTL-RDBSUJKOSA-N 1 3 269.392 3.135 20 0 CGADHO COc1ccccc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414176593 533007797 /nfs/dbraw/zinc/00/77/97/533007797.db2.gz JEBIKKJSKVXIMK-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO COc1ccccc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414176593 533007802 /nfs/dbraw/zinc/00/78/02/533007802.db2.gz JEBIKKJSKVXIMK-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO COC[C@H](NCC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423279732 533087229 /nfs/dbraw/zinc/08/72/29/533087229.db2.gz SYLAISVQFFPKPZ-CJNGLKHVSA-N 1 3 296.842 3.007 20 0 CGADHO COCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429543523 285140339 /nfs/dbraw/zinc/14/03/39/285140339.db2.gz WPELWCSXPBKARS-MSOLQXFVSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429543523 285140344 /nfs/dbraw/zinc/14/03/44/285140344.db2.gz WPELWCSXPBKARS-MSOLQXFVSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@@H](c1ccccc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543523 285140345 /nfs/dbraw/zinc/14/03/45/285140345.db2.gz WPELWCSXPBKARS-MSOLQXFVSA-N 1 3 290.451 3.180 20 0 CGADHO COC[C@@H](CC(C)C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480599947 285218311 /nfs/dbraw/zinc/21/83/11/285218311.db2.gz FBFDXNFFUHNGAT-IXDOHACOSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@@H](CC(C)C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480599947 285218312 /nfs/dbraw/zinc/21/83/12/285218312.db2.gz FBFDXNFFUHNGAT-IXDOHACOSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@@H](CC(C)C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000480599947 285218314 /nfs/dbraw/zinc/21/83/14/285218314.db2.gz FBFDXNFFUHNGAT-IXDOHACOSA-N 1 3 284.488 3.005 20 0 CGADHO CC[C@@H]1CN(Cc2ccc3cc(OC)ccc3c2)CC[C@H]1[NH3+] ZINC000317641524 542438127 /nfs/dbraw/zinc/43/81/27/542438127.db2.gz YJGGEIAUITYFEP-DNVCBOLYSA-N 1 3 298.430 3.408 20 0 CGADHO CC(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000339070677 542486138 /nfs/dbraw/zinc/48/61/38/542486138.db2.gz OAGRAOYZVWZXEO-BZSNNMDCSA-N 1 3 287.451 3.038 20 0 CGADHO CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000339070677 542486140 /nfs/dbraw/zinc/48/61/40/542486140.db2.gz OAGRAOYZVWZXEO-BZSNNMDCSA-N 1 3 287.451 3.038 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348099724 542513368 /nfs/dbraw/zinc/51/33/68/542513368.db2.gz DWYKZDAPCKEASV-SJORKVTESA-N 1 3 258.409 3.026 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CCS2 ZINC000423399744 533300798 /nfs/dbraw/zinc/30/07/98/533300798.db2.gz UXYDVHYTYQQTRZ-SLEUVZQESA-N 1 3 292.448 3.092 20 0 CGADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423570698 533375186 /nfs/dbraw/zinc/37/51/86/533375186.db2.gz WXRZIJPDSPYOEB-SNVBAGLBSA-N 1 3 284.325 3.064 20 0 CGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cncs1 ZINC000423505689 533509915 /nfs/dbraw/zinc/50/99/15/533509915.db2.gz OSRAYGJQSBBBKM-OCCSQVGLSA-N 1 3 275.421 3.274 20 0 CGADHO CCc1oc2ccccc2c1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414931471 542640686 /nfs/dbraw/zinc/64/06/86/542640686.db2.gz UQYYVIKYJIVQFQ-CHWSQXEVSA-N 1 3 272.392 3.355 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(Cl)cc1 ZINC000043326208 391987244 /nfs/dbraw/zinc/98/72/44/391987244.db2.gz JSQMSSHSUNUXLM-UONOGXRCSA-N 1 3 252.789 3.133 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000022146045 391943495 /nfs/dbraw/zinc/94/34/95/391943495.db2.gz CLNPFTYDAPROID-OAHLLOKOSA-N 1 3 260.425 3.386 20 0 CGADHO C[C@H]1CCCC[C@@H]1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000056522338 392104560 /nfs/dbraw/zinc/10/45/60/392104560.db2.gz KBGJQBRRPLYTPM-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO C[C@@H]1CCC[C@H](CN2CCC([NH+]3CCCC3)CC2)C1 ZINC000092794291 392232195 /nfs/dbraw/zinc/23/21/95/392232195.db2.gz OSWBDOQTYNDCAW-CVEARBPZSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092794291 392232198 /nfs/dbraw/zinc/23/21/98/392232198.db2.gz OSWBDOQTYNDCAW-CVEARBPZSA-N 1 3 264.457 3.373 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362922580 392422122 /nfs/dbraw/zinc/42/21/22/392422122.db2.gz DSOSVLXTUYWPLG-GJZGRUSLSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H](C[NH2+]Cc1cc(Cl)cc2cccnc21)CN(C)C ZINC000291648467 392476051 /nfs/dbraw/zinc/47/60/51/392476051.db2.gz CLSYNBPHRAGDIT-LBPRGKRZSA-N 1 3 291.826 3.176 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(OC)c1 ZINC000165278773 392607310 /nfs/dbraw/zinc/60/73/10/392607310.db2.gz DEAVBXUYCAIJFC-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647282311 392635653 /nfs/dbraw/zinc/63/56/53/392635653.db2.gz NPHOOVNRFXPTEE-CRAIPNDOSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282311 392635659 /nfs/dbraw/zinc/63/56/59/392635659.db2.gz NPHOOVNRFXPTEE-CRAIPNDOSA-N 1 3 287.451 3.243 20 0 CGADHO CSc1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482936 392737613 /nfs/dbraw/zinc/73/76/13/392737613.db2.gz KUQMOKCKWRQSFH-UHFFFAOYSA-N 1 3 276.449 3.125 20 0 CGADHO CSc1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482936 392737620 /nfs/dbraw/zinc/73/76/20/392737620.db2.gz KUQMOKCKWRQSFH-UHFFFAOYSA-N 1 3 276.449 3.125 20 0 CGADHO CC[C@H](C)Oc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000647552792 392765973 /nfs/dbraw/zinc/76/59/73/392765973.db2.gz XJPSHJZXRHMLOU-MCIONIFRSA-N 1 3 294.439 3.088 20 0 CGADHO c1ccc([C@H]2CCC[N@@H+](CCCN3CCCCC3)C2)nc1 ZINC000647950163 392839549 /nfs/dbraw/zinc/83/95/49/392839549.db2.gz PNVZAKQLVUBXSH-KRWDZBQOSA-N 1 3 287.451 3.137 20 0 CGADHO c1ccc([C@H]2CCC[N@H+](CCCN3CCCCC3)C2)nc1 ZINC000647950163 392839550 /nfs/dbraw/zinc/83/95/50/392839550.db2.gz PNVZAKQLVUBXSH-KRWDZBQOSA-N 1 3 287.451 3.137 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)c2sccc21 ZINC000335453415 392795077 /nfs/dbraw/zinc/79/50/77/392795077.db2.gz UMONAOKBEAJKHQ-ZWNOBZJWSA-N 1 3 250.411 3.028 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC(F)F ZINC000647800904 392802911 /nfs/dbraw/zinc/80/29/11/392802911.db2.gz LTGCIGFGAHXOFB-IGQOVBAYSA-N 1 3 274.399 3.178 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000647803342 392805189 /nfs/dbraw/zinc/80/51/89/392805189.db2.gz VTGHIYWUHWYXCV-SFHVURJKSA-N 1 3 284.378 3.452 20 0 CGADHO Cc1cccc([C@@H]2CCCCN2C[C@H]2CC[NH2+]C2)c1C ZINC000647889449 392826287 /nfs/dbraw/zinc/82/62/87/392826287.db2.gz RMWAHJULTONOHA-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191268368 392826393 /nfs/dbraw/zinc/82/63/93/392826393.db2.gz QYJQWZRUNPMDAE-JTQLQIEISA-N 1 3 272.845 3.394 20 0 CGADHO CC[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@@H]1N ZINC000381011744 392905712 /nfs/dbraw/zinc/90/57/12/392905712.db2.gz MBQIWYOSDHFNNQ-CABCVRRESA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1N ZINC000381011744 392905715 /nfs/dbraw/zinc/90/57/15/392905715.db2.gz MBQIWYOSDHFNNQ-CABCVRRESA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1CN(CC2CCC(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000381011744 392905719 /nfs/dbraw/zinc/90/57/19/392905719.db2.gz MBQIWYOSDHFNNQ-CABCVRRESA-N 1 3 252.446 3.262 20 0 CGADHO c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCN4CCC[C@@H]4C3)C2)c1 ZINC000337344828 392880537 /nfs/dbraw/zinc/88/05/37/392880537.db2.gz ULQWGNNLUUCSJF-XGXHKWSGSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000337344828 392880542 /nfs/dbraw/zinc/88/05/42/392880542.db2.gz ULQWGNNLUUCSJF-XGXHKWSGSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000337344828 392880546 /nfs/dbraw/zinc/88/05/46/392880546.db2.gz ULQWGNNLUUCSJF-XGXHKWSGSA-N 1 3 299.462 3.324 20 0 CGADHO C[C@H](NCCCCOCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390591143 392926165 /nfs/dbraw/zinc/92/61/65/392926165.db2.gz PJZWSFYOAZTKOA-WMZOPIPTSA-N 1 3 290.451 3.104 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCCC[NH+]1CCCC1)CCC2 ZINC000339068146 392945742 /nfs/dbraw/zinc/94/57/42/392945742.db2.gz OTYWRKJWFKCULC-GOSISDBHSA-N 1 3 272.436 3.448 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000339068146 392945748 /nfs/dbraw/zinc/94/57/48/392945748.db2.gz OTYWRKJWFKCULC-GOSISDBHSA-N 1 3 272.436 3.448 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000521292567 542739120 /nfs/dbraw/zinc/73/91/20/542739120.db2.gz PWOMIDQQEVXNCG-FSDCSDTHSA-N 1 3 264.457 3.133 20 0 CGADHO Cc1ccccc1-c1ccccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648385220 392993699 /nfs/dbraw/zinc/99/36/99/392993699.db2.gz NKPHYMWECJPRLV-QZTJIDSGSA-N 1 3 292.426 3.313 20 0 CGADHO C[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)(C)O ZINC000648439965 393017871 /nfs/dbraw/zinc/01/78/71/393017871.db2.gz XNFOEFPGSVOQJK-CQSZACIVSA-N 1 3 298.515 3.415 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)C(C)(C)O ZINC000648439965 393017876 /nfs/dbraw/zinc/01/78/76/393017876.db2.gz XNFOEFPGSVOQJK-CQSZACIVSA-N 1 3 298.515 3.415 20 0 CGADHO C[C@H]1CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000235687648 393029625 /nfs/dbraw/zinc/02/96/25/393029625.db2.gz FPEGZKSGYAWMAW-HOTGVXAUSA-N 1 3 287.451 3.466 20 0 CGADHO COc1cccc(CN[C@H](C)CCCC[NH3+])c1OC(C)C ZINC000415014237 393096469 /nfs/dbraw/zinc/09/64/69/393096469.db2.gz LTMYOPKPBUEYOP-CQSZACIVSA-N 1 3 294.439 3.090 20 0 CGADHO CCCCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000415014007 393096972 /nfs/dbraw/zinc/09/69/72/393096972.db2.gz WDSMYPGWSQYLJV-KGLIPLIRSA-N 1 3 264.413 3.081 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1csc(-c2ccccc2)n1 ZINC000415017927 393098243 /nfs/dbraw/zinc/09/82/43/393098243.db2.gz SSPXCTJGHGOIJN-CYBMUJFWSA-N 1 3 289.448 3.417 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)[C@H]1CCCNC1 ZINC000414858312 393056287 /nfs/dbraw/zinc/05/62/87/393056287.db2.gz RGUQCIUWEUYSJL-YECZKDOJSA-N 1 3 272.436 3.156 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H](C)[C@H]2CCCNC2)cc1 ZINC000414845422 393056327 /nfs/dbraw/zinc/05/63/27/393056327.db2.gz DJRIKLZJBNMRMB-YJBOKZPZSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)c1ccc(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414845422 393056331 /nfs/dbraw/zinc/05/63/31/393056331.db2.gz DJRIKLZJBNMRMB-YJBOKZPZSA-N 1 3 274.452 3.330 20 0 CGADHO C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@H]1CCCNC1 ZINC000414854485 393056344 /nfs/dbraw/zinc/05/63/44/393056344.db2.gz LYAFWLLIAPATFG-ZFWWWQNUSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414926528 393058661 /nfs/dbraw/zinc/05/86/61/393058661.db2.gz NJQLNCKXRCYTCO-JONQDZQNSA-N 1 3 252.446 3.451 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1 ZINC000414955143 393063318 /nfs/dbraw/zinc/06/33/18/393063318.db2.gz LKAVOHXGEUTRJS-DJIMGWMZSA-N 1 3 260.425 3.158 20 0 CGADHO Cc1cc(N)cc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000414958462 393064522 /nfs/dbraw/zinc/06/45/22/393064522.db2.gz DDPDUMRNRRMAQL-RBUKOAKNSA-N 1 3 295.430 3.160 20 0 CGADHO Clc1ccsc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414971514 393073394 /nfs/dbraw/zinc/07/33/94/393073394.db2.gz WGGLBTIZOONCDK-SNVBAGLBSA-N 1 3 258.818 3.023 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414977696 393077418 /nfs/dbraw/zinc/07/74/18/393077418.db2.gz KMMWBOCLERRRKU-CQSZACIVSA-N 1 3 260.406 3.242 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000414987551 393080552 /nfs/dbraw/zinc/08/05/52/393080552.db2.gz KKASOQXBWWXISE-VHSXEESVSA-N 1 3 260.834 3.050 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2nc(-c3ccccc3)cs2)C1 ZINC000415047276 393110889 /nfs/dbraw/zinc/11/08/89/393110889.db2.gz VOHKBSFDFWHWMR-JSGCOSHPSA-N 1 3 287.432 3.027 20 0 CGADHO CC(C)n1cc(CN[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415059654 393122358 /nfs/dbraw/zinc/12/23/58/393122358.db2.gz VFYRACJTADSKJS-QGZVFWFLSA-N 1 3 286.423 3.034 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCNC1CC1 ZINC000415065990 393126598 /nfs/dbraw/zinc/12/65/98/393126598.db2.gz IGGZHFNKHDFUKJ-LBPRGKRZSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)NCCC[NH2+]C1CC1 ZINC000415065990 393126606 /nfs/dbraw/zinc/12/66/06/393126606.db2.gz IGGZHFNKHDFUKJ-LBPRGKRZSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)[C@H]1COc2ccccc21 ZINC000348776350 393130658 /nfs/dbraw/zinc/13/06/58/393130658.db2.gz PXYLSNBUASKQIP-ZMSDIMECSA-N 1 3 288.435 3.015 20 0 CGADHO C[C@H](NCC[C@H]1CCCC[N@H+]1C)[C@H]1COc2ccccc21 ZINC000348776350 393130663 /nfs/dbraw/zinc/13/06/63/393130663.db2.gz PXYLSNBUASKQIP-ZMSDIMECSA-N 1 3 288.435 3.015 20 0 CGADHO C[C@]1(CNCCc2csc3ccccc23)CC[NH2+]C1 ZINC000415079956 393134171 /nfs/dbraw/zinc/13/41/71/393134171.db2.gz IXRUAEQIKKHDOO-MRXNPFEDSA-N 1 3 274.433 3.033 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000353822494 393233258 /nfs/dbraw/zinc/23/32/58/393233258.db2.gz WWZBVBUTYHDFJG-JCYILVPMSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000353822494 393233263 /nfs/dbraw/zinc/23/32/63/393233263.db2.gz WWZBVBUTYHDFJG-JCYILVPMSA-N 1 3 264.457 3.230 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H]([NH3+])[C@H]1C ZINC000420257817 393443505 /nfs/dbraw/zinc/44/35/05/393443505.db2.gz WYZRFYGIXVYJNV-IUODEOHRSA-N 1 3 269.392 3.032 20 0 CGADHO COc1ccc(Cl)cc1CN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420301708 393456107 /nfs/dbraw/zinc/45/61/07/393456107.db2.gz IURUDNITRNMIAY-ZDUSSCGKSA-N 1 3 296.842 3.170 20 0 CGADHO CC[N@H+](CCCc1ccccc1OC)[C@H]1CCCNCC1 ZINC000420311538 393460915 /nfs/dbraw/zinc/46/09/15/393460915.db2.gz NNAJIARNZYDJMD-KRWDZBQOSA-N 1 3 290.451 3.092 20 0 CGADHO CC[N@@H+](CCCc1ccccc1OC)[C@H]1CCCNCC1 ZINC000420311538 393460923 /nfs/dbraw/zinc/46/09/23/393460923.db2.gz NNAJIARNZYDJMD-KRWDZBQOSA-N 1 3 290.451 3.092 20 0 CGADHO CCC[N@H+](Cc1ccccc1CC)C1CCNCC1 ZINC000420314895 393461546 /nfs/dbraw/zinc/46/15/46/393461546.db2.gz KKLIJBOZUOFPJA-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCC[N@@H+](Cc1ccccc1CC)C1CCNCC1 ZINC000420314895 393461552 /nfs/dbraw/zinc/46/15/52/393461552.db2.gz KKLIJBOZUOFPJA-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCN(Cc1ccccc1CC)C1CC[NH2+]CC1 ZINC000420314895 393461555 /nfs/dbraw/zinc/46/15/55/393461555.db2.gz KKLIJBOZUOFPJA-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCF ZINC000420319630 393463043 /nfs/dbraw/zinc/46/30/43/393463043.db2.gz XZDDQOAVZFPJOJ-DLBZAZTESA-N 1 3 278.415 3.018 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCF ZINC000420319630 393463052 /nfs/dbraw/zinc/46/30/52/393463052.db2.gz XZDDQOAVZFPJOJ-DLBZAZTESA-N 1 3 278.415 3.018 20 0 CGADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCCF ZINC000420319630 393463057 /nfs/dbraw/zinc/46/30/57/393463057.db2.gz XZDDQOAVZFPJOJ-DLBZAZTESA-N 1 3 278.415 3.018 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420317624 393463364 /nfs/dbraw/zinc/46/33/64/393463364.db2.gz NNHPXDWYKALGGF-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCCF ZINC000420319633 393463654 /nfs/dbraw/zinc/46/36/54/393463654.db2.gz XZDDQOAVZFPJOJ-IAGOWNOFSA-N 1 3 278.415 3.018 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCCF ZINC000420319633 393463657 /nfs/dbraw/zinc/46/36/57/393463657.db2.gz XZDDQOAVZFPJOJ-IAGOWNOFSA-N 1 3 278.415 3.018 20 0 CGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1CCCF ZINC000420319633 393463658 /nfs/dbraw/zinc/46/36/58/393463658.db2.gz XZDDQOAVZFPJOJ-IAGOWNOFSA-N 1 3 278.415 3.018 20 0 CGADHO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359635 393473250 /nfs/dbraw/zinc/47/32/50/393473250.db2.gz GFRXHGGQYZMIJD-SUNKGSAMSA-N 1 3 286.341 3.182 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000420359829 393474626 /nfs/dbraw/zinc/47/46/26/393474626.db2.gz KOALXWKIBAAXIM-MRXNPFEDSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420359829 393474629 /nfs/dbraw/zinc/47/46/29/393474629.db2.gz KOALXWKIBAAXIM-MRXNPFEDSA-N 1 3 290.451 3.050 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000420364529 393474978 /nfs/dbraw/zinc/47/49/78/393474978.db2.gz PDXVSRIIKGDTQA-GOSISDBHSA-N 1 3 298.430 3.196 20 0 CGADHO CC[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420421906 393486574 /nfs/dbraw/zinc/48/65/74/393486574.db2.gz YYTYRJDDBZHBPE-LRDDRELGSA-N 1 3 282.378 3.395 20 0 CGADHO C[C@@H](NCCC1CC[NH2+]CC1)c1cccc(F)c1F ZINC000420419272 393486639 /nfs/dbraw/zinc/48/66/39/393486639.db2.gz XLWNHMDDNUNZKD-LLVKDONJSA-N 1 3 268.351 3.005 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000429798636 393503417 /nfs/dbraw/zinc/50/34/17/393503417.db2.gz JVCRQPBCGVRUQW-VSZNYVQBSA-N 1 3 296.499 3.244 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000429798636 393503422 /nfs/dbraw/zinc/50/34/22/393503422.db2.gz JVCRQPBCGVRUQW-VSZNYVQBSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488428477 393509465 /nfs/dbraw/zinc/50/94/65/393509465.db2.gz HQLKJVMCOBGCDG-HOTGVXAUSA-N 1 3 284.513 3.227 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358672453 393527576 /nfs/dbraw/zinc/52/75/76/393527576.db2.gz ZOSGQKNHIGKULA-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000358672453 393527586 /nfs/dbraw/zinc/52/75/86/393527586.db2.gz ZOSGQKNHIGKULA-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc2oc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2c1 ZINC000666743445 542812019 /nfs/dbraw/zinc/81/20/19/542812019.db2.gz JKHYWMIQOYCUHR-XJKSGUPXSA-N 1 3 272.392 3.348 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCNCC1)c1cccc(Cl)c1 ZINC000666857630 542822156 /nfs/dbraw/zinc/82/21/56/542822156.db2.gz BSZFKISCVVVVQF-IUODEOHRSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000666857630 542822157 /nfs/dbraw/zinc/82/21/57/542822157.db2.gz BSZFKISCVVVVQF-IUODEOHRSA-N 1 3 266.816 3.175 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318916 393602774 /nfs/dbraw/zinc/60/27/74/393602774.db2.gz IZDZXHAYTIUGRJ-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318916 393602775 /nfs/dbraw/zinc/60/27/75/393602775.db2.gz IZDZXHAYTIUGRJ-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO [NH3+]CC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000430647522 393581953 /nfs/dbraw/zinc/58/19/53/393581953.db2.gz FZSZBOAESMVOHR-UHFFFAOYSA-N 1 3 297.402 3.045 20 0 CGADHO NC[C@@H]1CCC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000430653457 393584179 /nfs/dbraw/zinc/58/41/79/393584179.db2.gz OUGYMDBXVCIMEU-INIZCTEOSA-N 1 3 282.431 3.443 20 0 CGADHO NC[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430653457 393584182 /nfs/dbraw/zinc/58/41/82/393584182.db2.gz OUGYMDBXVCIMEU-INIZCTEOSA-N 1 3 282.431 3.443 20 0 CGADHO [NH3+]C[C@@H]1CCCN(CCCc2cccc3ccccc32)C1 ZINC000430653457 393584186 /nfs/dbraw/zinc/58/41/86/393584186.db2.gz OUGYMDBXVCIMEU-INIZCTEOSA-N 1 3 282.431 3.443 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1cccc2cccnc21 ZINC000422816630 393643743 /nfs/dbraw/zinc/64/37/43/393643743.db2.gz FMEZHFVWFKZWBY-SJORKVTESA-N 1 3 283.419 3.027 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423135119 393651845 /nfs/dbraw/zinc/65/18/45/393651845.db2.gz SQQGTCQWODNVKG-MWQQHZPXSA-N 1 3 276.399 3.321 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423228228 393654963 /nfs/dbraw/zinc/65/49/63/393654963.db2.gz YVLKHMIPPACQSZ-LRDDRELGSA-N 1 3 264.388 3.384 20 0 CGADHO CC(C)(N)C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423281764 393658967 /nfs/dbraw/zinc/65/89/67/393658967.db2.gz BOGWETQQNQHBOX-CQSZACIVSA-N 1 3 266.816 3.434 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC(C)(C)N ZINC000423288673 393659386 /nfs/dbraw/zinc/65/93/86/393659386.db2.gz UGYLTDDLWCGEDT-HNNXBMFYSA-N 1 3 271.408 3.181 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCCC1 ZINC000423380809 393665932 /nfs/dbraw/zinc/66/59/32/393665932.db2.gz OCKNVRALUQURFC-BMFZPTHFSA-N 1 3 252.446 3.466 20 0 CGADHO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000433145794 393690212 /nfs/dbraw/zinc/69/02/12/393690212.db2.gz IVWLVRLFEKUXCM-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2cscc2Cl)CC1 ZINC000666956280 542829177 /nfs/dbraw/zinc/82/91/77/542829177.db2.gz BZDBNZNTMYWROI-XYPYZODXSA-N 1 3 272.845 3.256 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666996934 542833345 /nfs/dbraw/zinc/83/33/45/542833345.db2.gz NBDAMKYQLDKYCU-HUUCEWRRSA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995396 542833937 /nfs/dbraw/zinc/83/39/37/542833937.db2.gz MURRRSOSMGGMJV-ILXRZTDVSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449644036 393933352 /nfs/dbraw/zinc/93/33/52/393933352.db2.gz ZSMYQWKPOCFIDG-RANZSIQMSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449644036 393933353 /nfs/dbraw/zinc/93/33/53/393933353.db2.gz ZSMYQWKPOCFIDG-RANZSIQMSA-N 1 3 296.499 3.169 20 0 CGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000548488577 289008934 /nfs/dbraw/zinc/00/89/34/289008934.db2.gz PFBNASNQCXSQML-PMPSAXMXSA-N 1 3 252.446 3.419 20 0 CGADHO CC[NH+]1CCC(N(C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450472681 393997725 /nfs/dbraw/zinc/99/77/25/393997725.db2.gz XYMAMIAISHIUAZ-CYBMUJFWSA-N 1 3 274.399 3.228 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C1CC1)C1CCC1)N1CCCCC1 ZINC000453189215 394200491 /nfs/dbraw/zinc/20/04/91/394200491.db2.gz CNRCXFWYTNAUOE-WMLDXEAASA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccncc1 ZINC000453215135 394208022 /nfs/dbraw/zinc/20/80/22/394208022.db2.gz PUZQAKKCPNWIFH-MRXNPFEDSA-N 1 3 275.440 3.244 20 0 CGADHO Cc1ccc([C@H](C)NCCCC[N@H+](C)C2CC2)o1 ZINC000453428066 394243727 /nfs/dbraw/zinc/24/37/27/394243727.db2.gz OZNLREDHVOHUGF-ZDUSSCGKSA-N 1 3 250.386 3.113 20 0 CGADHO Cc1ccc([C@H](C)NCCCC[N@@H+](C)C2CC2)o1 ZINC000453428066 394243731 /nfs/dbraw/zinc/24/37/31/394243731.db2.gz OZNLREDHVOHUGF-ZDUSSCGKSA-N 1 3 250.386 3.113 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N1CCCCC1 ZINC000667974628 542953077 /nfs/dbraw/zinc/95/30/77/542953077.db2.gz YUHXSMQJVHBUFZ-WCVJEAGWSA-N 1 3 250.430 3.029 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000668579900 543030137 /nfs/dbraw/zinc/03/01/37/543030137.db2.gz GTNPKZHEJSUEKO-RLFYNMQTSA-N 1 3 285.435 3.076 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784529 543061743 /nfs/dbraw/zinc/06/17/43/543061743.db2.gz DXUOQMYLNFELIF-BZSNNMDCSA-N 1 3 294.483 3.021 20 0 CGADHO Cc1ccc(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405052 292095159 /nfs/dbraw/zinc/09/51/59/292095159.db2.gz SOKRFWOBCPXKIB-MSOLQXFVSA-N 1 3 272.436 3.002 20 0 CGADHO C[NH2+]Cc1ccccc1CNC/C=C/c1ccccc1OC ZINC000650718312 397901676 /nfs/dbraw/zinc/90/16/76/397901676.db2.gz GRPHGKGXYVVLAY-YRNVUSSQSA-N 1 3 296.414 3.218 20 0 CGADHO CC[C@@H](OCC[NH2+][C@@H](C)[C@H]1CCCCN1)c1ccccc1 ZINC000650742175 397904923 /nfs/dbraw/zinc/90/49/23/397904923.db2.gz SINOBCWFLJOGTE-CGTJXYLNSA-N 1 3 290.451 3.275 20 0 CGADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccccc1Br ZINC000650743329 397905130 /nfs/dbraw/zinc/90/51/30/397905130.db2.gz QSRNYPXPHQXIRY-NSHDSACASA-N 1 3 297.240 3.229 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000650758271 397910467 /nfs/dbraw/zinc/91/04/67/397910467.db2.gz MDEXCXSTQJARIQ-LIRRHRJNSA-N 1 3 280.415 3.429 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CC1 ZINC000675788177 543365194 /nfs/dbraw/zinc/36/51/94/543365194.db2.gz MGIQCQKFWRJSTR-QGZVFWFLSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[C@@H]([NH2+][C@@H](C)C1CCN(C)CC1)c1ccccn1 ZINC000675815405 543366945 /nfs/dbraw/zinc/36/69/45/543366945.db2.gz BKYCZEWVKDPEHJ-WMLDXEAASA-N 1 3 275.440 3.243 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677238040 543440419 /nfs/dbraw/zinc/44/04/19/543440419.db2.gz VBFYZUNPSVOTBA-SJORKVTESA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238040 543440420 /nfs/dbraw/zinc/44/04/20/543440420.db2.gz VBFYZUNPSVOTBA-SJORKVTESA-N 1 3 286.463 3.489 20 0 CGADHO CC[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678179349 543491468 /nfs/dbraw/zinc/49/14/68/543491468.db2.gz JIAUPSSTUKAKKP-MRXNPFEDSA-N 1 3 290.451 3.249 20 0 CGADHO CC[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678179349 543491471 /nfs/dbraw/zinc/49/14/71/543491471.db2.gz JIAUPSSTUKAKKP-MRXNPFEDSA-N 1 3 290.451 3.249 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000354653168 286151397 /nfs/dbraw/zinc/15/13/97/286151397.db2.gz DVKMWWMGIBLCPR-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@H]3CCCC[C@@H]3CN)cn(C)c2c1 ZINC000423057916 292302907 /nfs/dbraw/zinc/30/29/07/292302907.db2.gz ILSDWIFRARNXLB-QAPCUYQASA-N 1 3 299.462 3.136 20 0 CGADHO COCCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000422889417 292309066 /nfs/dbraw/zinc/30/90/66/292309066.db2.gz PLPDTNADHIZGSM-SJORKVTESA-N 1 3 288.435 3.318 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414799120 286732472 /nfs/dbraw/zinc/73/24/72/286732472.db2.gz JQCKSAOXFPZGQT-NUEKZKHPSA-N 1 3 292.492 3.447 20 0 CGADHO C[C@H]1CC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000560559571 289605697 /nfs/dbraw/zinc/60/56/97/289605697.db2.gz YOTNTYQISADXGU-YQFWSFKMSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCCCC2)C1 ZINC000048068354 286901916 /nfs/dbraw/zinc/90/19/16/286901916.db2.gz PMCICUXULSLQNA-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000247028851 287023509 /nfs/dbraw/zinc/02/35/09/287023509.db2.gz NJQRSIYISDTIKA-RBSFLKMASA-N 1 3 296.480 3.288 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000090340189 165232948 /nfs/dbraw/zinc/23/29/48/165232948.db2.gz UPHAWYWFKYQQRF-GDBMZVCRSA-N 1 3 276.424 3.220 20 0 CGADHO CC[C@H](C)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000093067049 287114814 /nfs/dbraw/zinc/11/48/14/287114814.db2.gz PZZUGLBGEDLWAN-WMZOPIPTSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@H]1CN(CC2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000112697558 287144141 /nfs/dbraw/zinc/14/41/41/287144141.db2.gz DXSCFKMJSQQCII-HOTGVXAUSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC12CCCC2)CN1CCCC1 ZINC000189072821 298780916 /nfs/dbraw/zinc/78/09/16/298780916.db2.gz ZDYYMIFKDHLKTM-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000124823312 287237449 /nfs/dbraw/zinc/23/74/49/287237449.db2.gz YMIOQLITNLXOLZ-SFHVURJKSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000124823312 287237451 /nfs/dbraw/zinc/23/74/51/287237451.db2.gz YMIOQLITNLXOLZ-SFHVURJKSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc(C[NH2+]CCCN2CCCCC2)s1 ZINC000020128869 171016206 /nfs/dbraw/zinc/01/62/06/171016206.db2.gz YRJUIJAKWOWFDG-UHFFFAOYSA-N 1 3 252.427 3.022 20 0 CGADHO CC(C)[C@@H]([NH2+]C1CCNCC1)c1ccc(Cl)cc1 ZINC000038041028 174041086 /nfs/dbraw/zinc/04/10/86/174041086.db2.gz YVYQEARWEUMJDL-OAHLLOKOSA-N 1 3 266.816 3.379 20 0 CGADHO CC(C)[NH2+]C1CCN(CC2CCCCCC2)CC1 ZINC000127749154 287295349 /nfs/dbraw/zinc/29/53/49/287295349.db2.gz PRNKPFBLTOZAKS-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CCC[N@H+](CCCCC2CCOCC2)[C@@H]1CCN ZINC000404258714 416551540 /nfs/dbraw/zinc/55/15/40/416551540.db2.gz CJAQKKDCXDGYBR-DOTOQJQBSA-N 1 3 282.472 3.033 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@@H]1CCN ZINC000404258714 416551545 /nfs/dbraw/zinc/55/15/45/416551545.db2.gz CJAQKKDCXDGYBR-DOTOQJQBSA-N 1 3 282.472 3.033 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000680352968 543702719 /nfs/dbraw/zinc/70/27/19/543702719.db2.gz WJYSBHCOFKTXJH-YTQUADARSA-N 1 3 284.447 3.429 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682076083 543822754 /nfs/dbraw/zinc/82/27/54/543822754.db2.gz STMIXJPGFLKIRZ-APWZRJJASA-N 1 3 284.447 3.338 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682076083 543822757 /nfs/dbraw/zinc/82/27/57/543822757.db2.gz STMIXJPGFLKIRZ-APWZRJJASA-N 1 3 284.447 3.338 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000685455223 544073592 /nfs/dbraw/zinc/07/35/92/544073592.db2.gz LQUIIGFCFIUCBS-SJLPKXTDSA-N 1 3 274.452 3.185 20 0 CGADHO CC[C@H](OCCN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000652236375 418940729 /nfs/dbraw/zinc/94/07/29/418940729.db2.gz KOAOGHKQHLJWOB-SZMVWBNQSA-N 1 3 290.451 3.227 20 0 CGADHO CC[C@H](OCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000652236375 418940734 /nfs/dbraw/zinc/94/07/34/418940734.db2.gz KOAOGHKQHLJWOB-SZMVWBNQSA-N 1 3 290.451 3.227 20 0 CGADHO CC(C)Oc1ccc2nccc(N(C)CC3C[NH+](C)C3)c2c1 ZINC000664328613 418940909 /nfs/dbraw/zinc/94/09/09/418940909.db2.gz GFPVXPZNJXLMGK-UHFFFAOYSA-N 1 3 299.418 3.020 20 0 CGADHO C[C@@H]1CCCN(CCCCC(F)(F)F)[C@H]1CC[NH3+] ZINC000652356270 418956222 /nfs/dbraw/zinc/95/62/22/418956222.db2.gz ZEJZSPJGCYLMGG-NEPJUHHUSA-N 1 3 266.351 3.168 20 0 CGADHO CC[C@@H](Cc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665234755 419087145 /nfs/dbraw/zinc/08/71/45/419087145.db2.gz JWJKPLOREKXJHG-PMRDEQMMSA-N 1 3 276.399 3.019 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)c2ccccc21 ZINC000665232961 419087641 /nfs/dbraw/zinc/08/76/41/419087641.db2.gz YMDLGDDQAJJJIF-NVXWUHKLSA-N 1 3 293.370 3.105 20 0 CGADHO [NH3+]C1(CN[C@@H]2CC[C@H](c3ccccc3)C2)CCCC1 ZINC000665247670 419089885 /nfs/dbraw/zinc/08/98/85/419089885.db2.gz HPTAEAGRSOUTDI-JKSUJKDBSA-N 1 3 258.409 3.184 20 0 CGADHO CC(C)[C@@H](COCc1ccccc1)NCC1([NH3+])CCCC1 ZINC000665248511 419092211 /nfs/dbraw/zinc/09/22/11/419092211.db2.gz YEQLHOHVQVXKLG-QGZVFWFLSA-N 1 3 290.451 3.089 20 0 CGADHO NC1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CCCC1 ZINC000665248526 419092700 /nfs/dbraw/zinc/09/27/00/419092700.db2.gz YHYKEJFFWRSNGR-OAHLLOKOSA-N 1 3 262.372 3.138 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1(F)F ZINC000665267604 419096302 /nfs/dbraw/zinc/09/63/02/419096302.db2.gz ZLDLTDVELRICLI-XQLPTFJDSA-N 1 3 286.410 3.322 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665271336 419098665 /nfs/dbraw/zinc/09/86/65/419098665.db2.gz LDLKLKSHDCHKHW-HCXYKTFWSA-N 1 3 299.462 3.157 20 0 CGADHO CCO[C@@H]1C[C@H](NCC[C@@H]([NH3+])C(C)C)C12CCCCC2 ZINC000665280785 419101344 /nfs/dbraw/zinc/10/13/44/419101344.db2.gz LFPPCCQHBGEDFV-OWCLPIDISA-N 1 3 282.472 3.077 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](N)C(C)C)C12CCCCC2 ZINC000665280785 419101346 /nfs/dbraw/zinc/10/13/46/419101346.db2.gz LFPPCCQHBGEDFV-OWCLPIDISA-N 1 3 282.472 3.077 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000665299392 419110396 /nfs/dbraw/zinc/11/03/96/419110396.db2.gz MIBNBBTUZIWVAT-JZXOWHBKSA-N 1 3 272.436 3.214 20 0 CGADHO CC1(C)C[C@]1(CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000665299392 419110400 /nfs/dbraw/zinc/11/04/00/419110400.db2.gz MIBNBBTUZIWVAT-JZXOWHBKSA-N 1 3 272.436 3.214 20 0 CGADHO CC[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000655847581 419118745 /nfs/dbraw/zinc/11/87/45/419118745.db2.gz BZOCNHHPIVEUMO-JKSUJKDBSA-N 1 3 282.472 3.187 20 0 CGADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000656196774 419148925 /nfs/dbraw/zinc/14/89/25/419148925.db2.gz FVPMFMSWVUSWPA-IAGOWNOFSA-N 1 3 260.425 3.096 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659094 419176759 /nfs/dbraw/zinc/17/67/59/419176759.db2.gz MTZKQBOEHPYNOZ-WMZOPIPTSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659094 419176761 /nfs/dbraw/zinc/17/67/61/419176761.db2.gz MTZKQBOEHPYNOZ-WMZOPIPTSA-N 1 3 272.436 3.474 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCC(F)(F)CC1)C2 ZINC000660665509 419179928 /nfs/dbraw/zinc/17/99/28/419179928.db2.gz WLYXUNLNIZDHOR-HNNXBMFYSA-N 1 3 286.410 3.230 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CC1CCC(F)(F)CC1)C2 ZINC000660665509 419179931 /nfs/dbraw/zinc/17/99/31/419179931.db2.gz WLYXUNLNIZDHOR-HNNXBMFYSA-N 1 3 286.410 3.230 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657336956 419254202 /nfs/dbraw/zinc/25/42/02/419254202.db2.gz BUTCJNCBZYVBLE-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656786618 419219585 /nfs/dbraw/zinc/21/95/85/419219585.db2.gz OIZOBSPKYQFPLS-RDTXWAMCSA-N 1 3 272.436 3.432 20 0 CGADHO CCC(CC)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657611633 419313819 /nfs/dbraw/zinc/31/38/19/419313819.db2.gz AIIYLASAZGJGJL-UHFFFAOYSA-N 1 3 289.467 3.319 20 0 CGADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536856578 288507457 /nfs/dbraw/zinc/50/74/57/288507457.db2.gz GQCPBLXULCMGJC-BRSBDYLESA-N 1 3 296.499 3.290 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CN(CC[C@@H]1CCC[NH2+]C1)CC3 ZINC000662304596 419388282 /nfs/dbraw/zinc/38/82/82/419388282.db2.gz BNSSQAZJHXCYSR-HNNXBMFYSA-N 1 3 297.446 3.224 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277264 419381360 /nfs/dbraw/zinc/38/13/60/419381360.db2.gz OJWCNSFFQLABQJ-IEBWSBKVSA-N 1 3 284.447 3.182 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164867 419632350 /nfs/dbraw/zinc/63/23/50/419632350.db2.gz AMTZNDDRYPDEJB-CVEARBPZSA-N 1 3 289.467 3.318 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000663501633 419637360 /nfs/dbraw/zinc/63/73/60/419637360.db2.gz ALHTVKWJXXCMMM-RCCFBDPRSA-N 1 3 274.452 3.361 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@@H](N)C(C)C)CC3 ZINC000663504172 419638795 /nfs/dbraw/zinc/63/87/95/419638795.db2.gz XIHGMQFYLCENQU-RHSMWYFYSA-N 1 3 299.462 3.297 20 0 CGADHO C([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663467273 419618830 /nfs/dbraw/zinc/61/88/30/419618830.db2.gz ZTZGPFYXUGZXRT-HOTGVXAUSA-N 1 3 262.441 3.031 20 0 CGADHO C([NH2+][C@@H]1CCCC12CC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663467274 419622083 /nfs/dbraw/zinc/62/20/83/419622083.db2.gz ZTZGPFYXUGZXRT-HZPDHXFCSA-N 1 3 262.441 3.031 20 0 CGADHO CC(C)(C)OC1CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663470264 419623922 /nfs/dbraw/zinc/62/39/22/419623922.db2.gz UGONSIBRAISECX-KLAILNCOSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)OC1CC(NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663470264 419623931 /nfs/dbraw/zinc/62/39/31/419623931.db2.gz UGONSIBRAISECX-KLAILNCOSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)OC1CC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663470264 419623939 /nfs/dbraw/zinc/62/39/39/419623939.db2.gz UGONSIBRAISECX-KLAILNCOSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)=CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000188458828 262297319 /nfs/dbraw/zinc/29/73/19/262297319.db2.gz ZWVHYWIIDFAMNW-OAHLLOKOSA-N 1 3 276.424 3.244 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000044516683 270036466 /nfs/dbraw/zinc/03/64/66/270036466.db2.gz MJRFAYCTBRZMDR-NSHDSACASA-N 1 3 284.806 3.472 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C)cc2)C1 ZINC000044535729 270036615 /nfs/dbraw/zinc/03/66/15/270036615.db2.gz WSRBGIFETBENFK-MRXNPFEDSA-N 1 3 274.452 3.416 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C)cc2)C1 ZINC000044535729 270036616 /nfs/dbraw/zinc/03/66/16/270036616.db2.gz WSRBGIFETBENFK-MRXNPFEDSA-N 1 3 274.452 3.416 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000105480861 270047607 /nfs/dbraw/zinc/04/76/07/270047607.db2.gz KUIBXQLLSNGQBK-YOEHRIQHSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000105480861 270047608 /nfs/dbraw/zinc/04/76/08/270047608.db2.gz KUIBXQLLSNGQBK-YOEHRIQHSA-N 1 3 274.452 3.414 20 0 CGADHO CC/C=C/CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184578582 270059126 /nfs/dbraw/zinc/05/91/26/270059126.db2.gz NRRYHTGSLDBEFO-QDLOVBKTSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C/CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000184578582 270059127 /nfs/dbraw/zinc/05/91/27/270059127.db2.gz NRRYHTGSLDBEFO-QDLOVBKTSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C/CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000184578582 270059129 /nfs/dbraw/zinc/05/91/29/270059129.db2.gz NRRYHTGSLDBEFO-QDLOVBKTSA-N 1 3 250.430 3.151 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000530221241 270196532 /nfs/dbraw/zinc/19/65/32/270196532.db2.gz OMZDAZBLIVRBJQ-GPCCPHFNSA-N 1 3 252.789 3.043 20 0 CGADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000530218863 270196219 /nfs/dbraw/zinc/19/62/19/270196219.db2.gz HMXKKKBRZMBCBC-ZIAGYGMSSA-N 1 3 289.398 3.017 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000530223331 270196646 /nfs/dbraw/zinc/19/66/46/270196646.db2.gz UAZOZHIVGAEOEN-KCQAQPDRSA-N 1 3 264.800 3.187 20 0 CGADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000533272906 270222841 /nfs/dbraw/zinc/22/28/41/270222841.db2.gz QTJMDIHRLWVWQS-HNNXBMFYSA-N 1 3 275.440 3.195 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000533272906 270222842 /nfs/dbraw/zinc/22/28/42/270222842.db2.gz QTJMDIHRLWVWQS-HNNXBMFYSA-N 1 3 275.440 3.195 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423378683 273545200 /nfs/dbraw/zinc/54/52/00/273545200.db2.gz MOHJKZJNDCKGSC-KBRIMQKVSA-N 1 3 278.415 3.123 20 0 CGADHO CCC[C@H](CC)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000245900034 287683958 /nfs/dbraw/zinc/68/39/58/287683958.db2.gz NRWNRLUZPDFWLR-JYJNAYRXSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423398284 274415421 /nfs/dbraw/zinc/41/54/21/274415421.db2.gz UHULRCPUVSUERJ-BFUOFWGJSA-N 1 3 278.399 3.313 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280805459 275068740 /nfs/dbraw/zinc/06/87/40/275068740.db2.gz LHLRPZVXQHIYDB-XSLAGTTESA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280805459 275068741 /nfs/dbraw/zinc/06/87/41/275068741.db2.gz LHLRPZVXQHIYDB-XSLAGTTESA-N 1 3 270.420 3.149 20 0 CGADHO CC[N@@H+]1CCC[C@@H]1CNCc1cc(C)c(C)cc1C ZINC000034991944 276174051 /nfs/dbraw/zinc/17/40/51/276174051.db2.gz BZYWWRJZRAQTTF-QGZVFWFLSA-N 1 3 260.425 3.186 20 0 CGADHO CC[N@H+]1CCC[C@@H]1CNCc1cc(C)c(C)cc1C ZINC000034991944 276174052 /nfs/dbraw/zinc/17/40/52/276174052.db2.gz BZYWWRJZRAQTTF-QGZVFWFLSA-N 1 3 260.425 3.186 20 0 CGADHO CCS[C@@H]1CC[C@H](N(C)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125298138 276399202 /nfs/dbraw/zinc/39/92/02/276399202.db2.gz FQEXQGKETLWJOH-SOUVJXGZSA-N 1 3 270.486 3.077 20 0 CGADHO CCS[C@@H]1CC[C@H](N(C)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125298138 276399204 /nfs/dbraw/zinc/39/92/04/276399204.db2.gz FQEXQGKETLWJOH-SOUVJXGZSA-N 1 3 270.486 3.077 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414865106 276574237 /nfs/dbraw/zinc/57/42/37/276574237.db2.gz YXOGFDRKGYWDND-CGTJXYLNSA-N 1 3 274.452 3.294 20 0 CGADHO COC[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCCC1 ZINC000446750211 277262037 /nfs/dbraw/zinc/26/20/37/277262037.db2.gz FWSWJRNSBYZCBN-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@H](NCCC[N@@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446750211 277262038 /nfs/dbraw/zinc/26/20/38/277262038.db2.gz FWSWJRNSBYZCBN-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@H](NCCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446750211 277262039 /nfs/dbraw/zinc/26/20/39/277262039.db2.gz FWSWJRNSBYZCBN-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCC[C@H](C)C2)C1 ZINC000430598299 277275617 /nfs/dbraw/zinc/27/56/17/277275617.db2.gz CGYUOYNTQBSCSZ-XHSDSOJGSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423211670 277451160 /nfs/dbraw/zinc/45/11/60/277451160.db2.gz LCHBQEJRGVBGJI-HRCADAONSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000423368026 277451817 /nfs/dbraw/zinc/45/18/17/277451817.db2.gz MUTSKZQVJAGKSZ-YHUYYLMFSA-N 1 3 252.446 3.451 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423394335 277734272 /nfs/dbraw/zinc/73/42/72/277734272.db2.gz RFVLZGCQVIVMLG-LIRRHRJNSA-N 1 3 296.414 3.156 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423527397 278268941 /nfs/dbraw/zinc/26/89/41/278268941.db2.gz MHSFGUNNARETSW-PKSOCPPESA-N 1 3 276.468 3.308 20 0 CGADHO C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000360932874 278294947 /nfs/dbraw/zinc/29/49/47/278294947.db2.gz HEYUXXFCOPTLMD-MAUKXSAKSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)c2ccccc21)C1CNC1 ZINC000423015851 278350411 /nfs/dbraw/zinc/35/04/11/278350411.db2.gz LLYAOKPSAPSBEI-KGLIPLIRSA-N 1 3 272.436 3.039 20 0 CGADHO C[C@@H](NC[C@@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000423015851 278350412 /nfs/dbraw/zinc/35/04/12/278350412.db2.gz LLYAOKPSAPSBEI-KGLIPLIRSA-N 1 3 272.436 3.039 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422903316 288062622 /nfs/dbraw/zinc/06/26/22/288062622.db2.gz FKDSUHYGIRLSFX-LSDHHAIUSA-N 1 3 278.827 3.231 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423054661 288063041 /nfs/dbraw/zinc/06/30/41/288063041.db2.gz BYXVSYLCJHPHRZ-QWRGUYRKSA-N 1 3 274.330 3.229 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCCCCC1 ZINC000423148259 279082701 /nfs/dbraw/zinc/08/27/01/279082701.db2.gz FOIOPTUSMWSGCH-ZDUSSCGKSA-N 1 3 275.440 3.470 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC000509119794 279123096 /nfs/dbraw/zinc/12/30/96/279123096.db2.gz DDCUYBLNYFQDEP-QLFBSQMISA-N 1 3 258.425 3.225 20 0 CGADHO C[C@@](C[NH3+])(NCCSc1ccc(Cl)cc1)C1CC1 ZINC000430559595 279149086 /nfs/dbraw/zinc/14/90/86/279149086.db2.gz DRWQWGDZIPYDLS-AWEZNQCLSA-N 1 3 284.856 3.149 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)CN1CCCC1 ZINC000084988533 279350349 /nfs/dbraw/zinc/35/03/49/279350349.db2.gz NYLPVYHSOCAPMN-LVQVYYBASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1nc2c(s1)CCCC2 ZINC000423468120 279484379 /nfs/dbraw/zinc/48/43/79/279484379.db2.gz JIXVVPVJXAHPMO-RWMBFGLXSA-N 1 3 293.480 3.190 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000178038613 288160455 /nfs/dbraw/zinc/16/04/55/288160455.db2.gz BPVIOYJZTISAJQ-WCXIOVBPSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CN1CCCCC1 ZINC000527641133 288179485 /nfs/dbraw/zinc/17/94/85/288179485.db2.gz KXUHUESJNIEDQH-OTRWWLKZSA-N 1 3 264.457 3.133 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000251930036 280266125 /nfs/dbraw/zinc/26/61/25/280266125.db2.gz ZENMTQXIBHWHNQ-QXSJWSMHSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)[C@H](C)C2 ZINC000180095315 281092451 /nfs/dbraw/zinc/09/24/51/281092451.db2.gz WIORRIUXJWBBHJ-VCBZYWHSSA-N 1 3 284.447 3.302 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)[C@H](C)C2 ZINC000180095315 281092452 /nfs/dbraw/zinc/09/24/52/281092452.db2.gz WIORRIUXJWBBHJ-VCBZYWHSSA-N 1 3 284.447 3.302 20 0 CGADHO CC[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000532202553 288355251 /nfs/dbraw/zinc/35/52/51/288355251.db2.gz ADFXIBSGKOSBDE-NUJGCVRESA-N 1 3 296.499 3.149 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000414209354 292665418 /nfs/dbraw/zinc/66/54/18/292665418.db2.gz SOUOGTYJKCGBRH-JZXOWHBKSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000551264016 289105922 /nfs/dbraw/zinc/10/59/22/289105922.db2.gz ICTUEXHCLBTTGE-DZKIICNBSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000551264016 289105923 /nfs/dbraw/zinc/10/59/23/289105923.db2.gz ICTUEXHCLBTTGE-DZKIICNBSA-N 1 3 270.436 3.367 20 0 CGADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000552235474 289173648 /nfs/dbraw/zinc/17/36/48/289173648.db2.gz IPNSSTNUWWSWHV-YTQUADARSA-N 1 3 284.447 3.429 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CC[C@@H]3C3CC3)C2)cc1 ZINC000554364283 289275955 /nfs/dbraw/zinc/27/59/55/289275955.db2.gz XJZXWZDVURQEFS-RLLQIKCJSA-N 1 3 298.474 3.329 20 0 CGADHO CC1=CC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000556263500 289383139 /nfs/dbraw/zinc/38/31/39/289383139.db2.gz BLHSAHNVOGXPKW-CVEARBPZSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000556583734 289398411 /nfs/dbraw/zinc/39/84/11/289398411.db2.gz KWKFBROJHFESPD-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCC(F)(F)CC1 ZINC000353285184 290019452 /nfs/dbraw/zinc/01/94/52/290019452.db2.gz ATLAEDUYVVXWIB-CFVMTHIKSA-N 1 3 286.410 3.417 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(Cl)cc21 ZINC000423282111 295251349 /nfs/dbraw/zinc/25/13/49/295251349.db2.gz UXEXJIUAOSFXER-APHBMKBZSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC23CCCC3)CCN1 ZINC000423375346 297287508 /nfs/dbraw/zinc/28/75/08/297287508.db2.gz IRKBGVRWOKNGAU-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cc(C)c2c(c1)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423392463 301213561 /nfs/dbraw/zinc/21/35/61/301213561.db2.gz QFPKAXSOTDRCTF-HLLBOEOZSA-N 1 3 288.435 3.377 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C(C)C)cc1 ZINC000423396467 301594623 /nfs/dbraw/zinc/59/46/23/301594623.db2.gz NVXXDBNMCRFJFE-NXHRZFHOSA-N 1 3 274.452 3.150 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422912281 303408337 /nfs/dbraw/zinc/40/83/37/303408337.db2.gz VTOBIZOFKPDUHU-XJKSGUPXSA-N 1 3 292.854 3.479 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)[C@H](C)C2 ZINC000564212024 322023134 /nfs/dbraw/zinc/02/31/34/322023134.db2.gz OTFBNZGCDNIGLU-KUHUBIRLSA-N 1 3 280.415 3.477 20 0 CGADHO Cc1ccc2nccc(N[C@H](C)C[N@H+](C)C(C)C)c2c1 ZINC000564563639 322034306 /nfs/dbraw/zinc/03/43/06/322034306.db2.gz SOFUTJIUEZGDJA-CQSZACIVSA-N 1 3 271.408 3.106 20 0 CGADHO Cc1ccc2nccc(N[C@H](C)C[N@@H+](C)C(C)C)c2c1 ZINC000564563639 322034308 /nfs/dbraw/zinc/03/43/08/322034308.db2.gz SOFUTJIUEZGDJA-CQSZACIVSA-N 1 3 271.408 3.106 20 0 CGADHO CCC[C@H](CN1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000564970217 322051816 /nfs/dbraw/zinc/05/18/16/322051816.db2.gz JLUFLGDUXZAPDK-KSZLIROESA-N 1 3 272.436 3.112 20 0 CGADHO CCC[C@H](CN1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000564970285 322051821 /nfs/dbraw/zinc/05/18/21/322051821.db2.gz JLUFLGDUXZAPDK-RCCFBDPRSA-N 1 3 272.436 3.112 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565227181 322068101 /nfs/dbraw/zinc/06/81/01/322068101.db2.gz SQKCXFAIUVXLIN-UONOGXRCSA-N 1 3 272.392 3.143 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000565227181 322068103 /nfs/dbraw/zinc/06/81/03/322068103.db2.gz SQKCXFAIUVXLIN-UONOGXRCSA-N 1 3 272.392 3.143 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565227180 322068396 /nfs/dbraw/zinc/06/83/96/322068396.db2.gz SQKCXFAIUVXLIN-KGLIPLIRSA-N 1 3 272.392 3.143 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000565227180 322068398 /nfs/dbraw/zinc/06/83/98/322068398.db2.gz SQKCXFAIUVXLIN-KGLIPLIRSA-N 1 3 272.392 3.143 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)C1CCCCC1 ZINC000565226842 322068403 /nfs/dbraw/zinc/06/84/03/322068403.db2.gz OJAUTNOHKBDZNR-CABCVRRESA-N 1 3 252.446 3.452 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000565508400 322080439 /nfs/dbraw/zinc/08/04/39/322080439.db2.gz SZTQYYFPOQMULT-BPQIPLTHSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000565508400 322080441 /nfs/dbraw/zinc/08/04/41/322080441.db2.gz SZTQYYFPOQMULT-BPQIPLTHSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000566331526 322116658 /nfs/dbraw/zinc/11/66/58/322116658.db2.gz UWXHHIHWECVUMS-HPBDAGMYSA-N 1 3 290.426 3.377 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2)c1 ZINC000566481122 322125933 /nfs/dbraw/zinc/12/59/33/322125933.db2.gz ADVHLSOZJLNHRL-XIRDDKMYSA-N 1 3 287.451 3.207 20 0 CGADHO CC(C)[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC1 ZINC000566831321 322139684 /nfs/dbraw/zinc/13/96/84/322139684.db2.gz YWNMKWVOTXVTBI-OAHLLOKOSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CC2 ZINC000567471980 322164352 /nfs/dbraw/zinc/16/43/52/322164352.db2.gz IDFXCLLENKPZMZ-SFHVURJKSA-N 1 3 266.388 3.231 20 0 CGADHO C(=C/c1ccccc1)\CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567501669 322166100 /nfs/dbraw/zinc/16/61/00/322166100.db2.gz BFISZSSCSHTZHS-WEBJUUICSA-N 1 3 270.420 3.021 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CCCC12CC2)C(C)C ZINC000568275313 322202865 /nfs/dbraw/zinc/20/28/65/322202865.db2.gz OAXSGWFAMWCJRQ-OAHLLOKOSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]1c2c(F)cccc2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000568611138 322215639 /nfs/dbraw/zinc/21/56/39/322215639.db2.gz KVUMEGXQKRSQSK-UONOGXRCSA-N 1 3 276.399 3.135 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC000569473154 322248519 /nfs/dbraw/zinc/24/85/19/322248519.db2.gz VOJZDVBJGBJDKP-GJZGRUSLSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271901 322269355 /nfs/dbraw/zinc/26/93/55/322269355.db2.gz NHGUZYJSWMDXQM-UGSOOPFHSA-N 1 3 281.403 3.137 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000570985054 322286974 /nfs/dbraw/zinc/28/69/74/322286974.db2.gz CKNQWDMEGBWJGW-MHORFTMASA-N 1 3 272.436 3.430 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCSc2ccc(F)cc2)C1 ZINC000571581170 322302625 /nfs/dbraw/zinc/30/26/25/322302625.db2.gz JKDJXRJPJLIWCY-UONOGXRCSA-N 1 3 282.428 3.167 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000572014754 322315979 /nfs/dbraw/zinc/31/59/79/322315979.db2.gz AAJMSUKXLGLHNE-MRVWCRGKSA-N 1 3 250.361 3.055 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000572272379 322328525 /nfs/dbraw/zinc/32/85/25/322328525.db2.gz LKEYNNZJCBKTRG-QZTJIDSGSA-N 1 3 274.452 3.475 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000572272379 322328528 /nfs/dbraw/zinc/32/85/28/322328528.db2.gz LKEYNNZJCBKTRG-QZTJIDSGSA-N 1 3 274.452 3.475 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)CCc1cccc(F)c1 ZINC000577094394 335298971 /nfs/dbraw/zinc/29/89/71/335298971.db2.gz BYBCOLWLPPCYEN-CQSZACIVSA-N 1 3 266.404 3.125 20 0 CGADHO CC(C)NCCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000577094394 335298972 /nfs/dbraw/zinc/29/89/72/335298972.db2.gz BYBCOLWLPPCYEN-CQSZACIVSA-N 1 3 266.404 3.125 20 0 CGADHO CC(C)=CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177502379 335373407 /nfs/dbraw/zinc/37/34/07/335373407.db2.gz LHZRGFSMVSMFJX-CALCHBBNSA-N 1 3 294.483 3.164 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000578053754 335472787 /nfs/dbraw/zinc/47/27/87/335472787.db2.gz YTGIUSQXXQAOSQ-QSPRXWTASA-N 1 3 264.457 3.441 20 0 CGADHO COc1cc([C@@H](C)NCc2ccc(C[NH3+])cc2)ccc1F ZINC000578193730 335552051 /nfs/dbraw/zinc/55/20/51/335552051.db2.gz MTBILGUXUBEQEM-GFCCVEGCSA-N 1 3 288.366 3.144 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC12CC2)CN1CCCCC1 ZINC000579735160 335877652 /nfs/dbraw/zinc/87/76/52/335877652.db2.gz VGZLADVHWZXYGD-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(C)c1ccc(CNCCC[NH+]2CCC2)s1 ZINC000581201976 336024220 /nfs/dbraw/zinc/02/42/20/336024220.db2.gz ZWBCIQDWNDZTCI-UHFFFAOYSA-N 1 3 266.454 3.231 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000194493317 336027223 /nfs/dbraw/zinc/02/72/23/336027223.db2.gz HZAHUCSSOMZOJJ-OIISXLGYSA-N 1 3 260.425 3.253 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581364077 336061402 /nfs/dbraw/zinc/06/14/02/336061402.db2.gz SNVSCDABGYCZOX-HZPDHXFCSA-N 1 3 264.388 3.051 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581364077 336061404 /nfs/dbraw/zinc/06/14/04/336061404.db2.gz SNVSCDABGYCZOX-HZPDHXFCSA-N 1 3 264.388 3.051 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC12CCCC2 ZINC000386943520 336182872 /nfs/dbraw/zinc/18/28/72/336182872.db2.gz UZWCQOVWIISYBG-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581997090 336187378 /nfs/dbraw/zinc/18/73/78/336187378.db2.gz SWOZQUJJOJLUJO-SJORKVTESA-N 1 3 278.415 3.440 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581997090 336187379 /nfs/dbraw/zinc/18/73/79/336187379.db2.gz SWOZQUJJOJLUJO-SJORKVTESA-N 1 3 278.415 3.440 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423312760 533773625 /nfs/dbraw/zinc/77/36/25/533773625.db2.gz VOIFXHQTDWFQLI-NHYWBVRUSA-N 1 3 266.816 3.366 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423308564 533771376 /nfs/dbraw/zinc/77/13/76/533771376.db2.gz OVPKJOCPQOHLHV-KSSFIOAISA-N 1 3 286.394 3.294 20 0 CGADHO COc1cccc2c1CC[C@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423289145 533874721 /nfs/dbraw/zinc/87/47/21/533874721.db2.gz AKTUKKSJPCNZJF-SCLBCKFNSA-N 1 3 296.414 3.492 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC000414954635 533943223 /nfs/dbraw/zinc/94/32/23/533943223.db2.gz SUKWDCFBTYTACV-AGERRDQYSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423406573 533985187 /nfs/dbraw/zinc/98/51/87/533985187.db2.gz YZZZMLPQBMVFRQ-AFAVFJNCSA-N 1 3 258.409 3.096 20 0 CGADHO CC(C)Oc1ccccc1CN(C)CC1CC[NH+](C)CC1 ZINC000104086635 519784171 /nfs/dbraw/zinc/78/41/71/519784171.db2.gz KNGVPWFPHSSESD-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO Cc1ccc2cc([C@@H](C)[NH2+][C@H](CN)C3CC3)oc2c1 ZINC000423273816 534474803 /nfs/dbraw/zinc/47/48/03/534474803.db2.gz JNHBAFHNUIQNLW-BXUZGUMPSA-N 1 3 258.365 3.129 20 0 CGADHO c1ccc([C@H](NC[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423327691 534500835 /nfs/dbraw/zinc/50/08/35/534500835.db2.gz DEYKCDOLNFOVPP-PBHICJAKSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1ccc2nccc(N(C)CCC[NH+]3CCCC3)c2c1 ZINC000358662830 534522107 /nfs/dbraw/zinc/52/21/07/534522107.db2.gz KBEZSOYGAJDLFT-UHFFFAOYSA-N 1 3 283.419 3.465 20 0 CGADHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000049554318 522733885 /nfs/dbraw/zinc/73/38/85/522733885.db2.gz VMGHKSASCZDVHJ-CJNGLKHVSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000088164250 524572601 /nfs/dbraw/zinc/57/26/01/524572601.db2.gz WHESFQYMXBCSST-AGUYFDCRSA-N 1 3 264.438 3.161 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000088164250 524572607 /nfs/dbraw/zinc/57/26/07/524572607.db2.gz WHESFQYMXBCSST-AGUYFDCRSA-N 1 3 264.438 3.161 20 0 CGADHO c1coc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000155924137 526564722 /nfs/dbraw/zinc/56/47/22/526564722.db2.gz TZWCWGIFZIFNHA-UHFFFAOYSA-N 1 3 276.424 3.209 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157440956 527418789 /nfs/dbraw/zinc/41/87/89/527418789.db2.gz AFGQZVQPTVZUOP-IRXDYDNUSA-N 1 3 288.341 3.242 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157440956 527418795 /nfs/dbraw/zinc/41/87/95/527418795.db2.gz AFGQZVQPTVZUOP-IRXDYDNUSA-N 1 3 288.341 3.242 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)c2ccccc21 ZINC000157249415 527419549 /nfs/dbraw/zinc/41/95/49/527419549.db2.gz PCHGNYQPAGXZAG-DLBZAZTESA-N 1 3 270.351 3.103 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000176283464 527838279 /nfs/dbraw/zinc/83/82/79/527838279.db2.gz CEVFCDRLMMKMOA-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000176283464 527838281 /nfs/dbraw/zinc/83/82/81/527838281.db2.gz CEVFCDRLMMKMOA-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283464 527838288 /nfs/dbraw/zinc/83/82/88/527838288.db2.gz CEVFCDRLMMKMOA-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283464 527838290 /nfs/dbraw/zinc/83/82/90/527838290.db2.gz CEVFCDRLMMKMOA-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423363297 528165914 /nfs/dbraw/zinc/16/59/14/528165914.db2.gz BRXFJYDIXCVEAG-VKJFTORMSA-N 1 3 290.451 3.370 20 0 CGADHO CCC[C@H]([NH2+]CCCNC1CC1)c1ccc(OC)cc1 ZINC000423522863 528219270 /nfs/dbraw/zinc/21/92/70/528219270.db2.gz HUTLYXJODXWVAR-KRWDZBQOSA-N 1 3 276.424 3.268 20 0 CGADHO CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000423406540 528236659 /nfs/dbraw/zinc/23/66/59/528236659.db2.gz YVYTYDXNRJLJBW-INMHGKMJSA-N 1 3 276.424 3.396 20 0 CGADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423329643 528689254 /nfs/dbraw/zinc/68/92/54/528689254.db2.gz TVQKINZQGZCNGK-CXAGYDPISA-N 1 3 276.424 3.253 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414053903 528988101 /nfs/dbraw/zinc/98/81/01/528988101.db2.gz BAZKDZDPSWJLPX-CQSZACIVSA-N 1 3 276.424 3.139 20 0 CGADHO CCC[C@@H](NCC1=CC[NH2+]CC1)c1ccsc1 ZINC000423343492 529006171 /nfs/dbraw/zinc/00/61/71/529006171.db2.gz LWXGGIHLSPDQCW-CQSZACIVSA-N 1 3 250.411 3.099 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423275105 529071154 /nfs/dbraw/zinc/07/11/54/529071154.db2.gz MVEIBFXLRFICNW-WRWGMCAJSA-N 1 3 286.872 3.466 20 0 CGADHO CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1cccs1 ZINC000423321939 529177391 /nfs/dbraw/zinc/17/73/91/529177391.db2.gz GQDBVKQKQBBCEY-OCCSQVGLSA-N 1 3 252.427 3.179 20 0 CGADHO CC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccncc1 ZINC000423296592 529185021 /nfs/dbraw/zinc/18/50/21/529185021.db2.gz ZMTDWCXMTUWNTJ-CXAGYDPISA-N 1 3 269.392 3.342 20 0 CGADHO CC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529208 529202061 /nfs/dbraw/zinc/20/20/61/529202061.db2.gz OEEPYBYURZUJFI-SJORKVTESA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(F)c1 ZINC000424372673 529202749 /nfs/dbraw/zinc/20/27/49/529202749.db2.gz IJVWQYQWNZEBTB-RBSFLKMASA-N 1 3 250.361 3.136 20 0 CGADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1C ZINC000422923280 529371162 /nfs/dbraw/zinc/37/11/62/529371162.db2.gz VTVDGTNFKKZEBF-OIISXLGYSA-N 1 3 290.451 3.130 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cc(F)cc(Cl)c2)C1 ZINC000459783962 536384789 /nfs/dbraw/zinc/38/47/89/536384789.db2.gz NOCDGYVCUCALBB-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cc(F)cc(Cl)c2)C1 ZINC000459783962 536384794 /nfs/dbraw/zinc/38/47/94/536384794.db2.gz NOCDGYVCUCALBB-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccco2)C1 ZINC000120624616 617744374 /nfs/dbraw/zinc/74/43/74/617744374.db2.gz GVIYGUJLIXQBEA-GASCZTMLSA-N 1 3 264.413 3.127 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccco2)C1 ZINC000120624616 617744376 /nfs/dbraw/zinc/74/43/76/617744376.db2.gz GVIYGUJLIXQBEA-GASCZTMLSA-N 1 3 264.413 3.127 20 0 CGADHO C#CCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090398878 617806327 /nfs/dbraw/zinc/80/63/27/617806327.db2.gz FMUGVDVWYYWZNT-UHFFFAOYSA-N 1 3 262.441 3.177 20 0 CGADHO C[C@H](CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000226406068 618083479 /nfs/dbraw/zinc/08/34/79/618083479.db2.gz CYBVPJCNUUNSSJ-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H](C)c2nccs2)CC1 ZINC000926159167 618209728 /nfs/dbraw/zinc/20/97/28/618209728.db2.gz AKIZVESQSJAAHL-CQSZACIVSA-N 1 3 295.496 3.347 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H](C)c2nccs2)CC1 ZINC000926159167 618209731 /nfs/dbraw/zinc/20/97/31/618209731.db2.gz AKIZVESQSJAAHL-CQSZACIVSA-N 1 3 295.496 3.347 20 0 CGADHO COCCCC1(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCC1 ZINC000893094531 618993635 /nfs/dbraw/zinc/99/36/35/618993635.db2.gz LGKGDCXGMHYREG-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO COCCCC1(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)CCC1 ZINC000893094532 618994009 /nfs/dbraw/zinc/99/40/09/618994009.db2.gz LGKGDCXGMHYREG-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CCO[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925658066 619113375 /nfs/dbraw/zinc/11/33/75/619113375.db2.gz GMDQTEQVNINMOL-YESZJQIVSA-N 1 3 290.451 3.260 20 0 CGADHO CC1(C)C[C@@H](NCc2ccc3ncccc3c2)C[C@@H]([NH3+])C1 ZINC000925664260 619118482 /nfs/dbraw/zinc/11/84/82/619118482.db2.gz XLBIDFHFXHRNAQ-CVEARBPZSA-N 1 3 283.419 3.230 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925670845 619123034 /nfs/dbraw/zinc/12/30/34/619123034.db2.gz ABFHSEVZTXYUIV-DLBZAZTESA-N 1 3 296.499 3.197 20 0 CGADHO CC[C@H](OCCN[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925714381 619160078 /nfs/dbraw/zinc/16/00/78/619160078.db2.gz XYWAYFVZADRCHS-GVDBMIGSSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC(F)F ZINC000925714224 619160124 /nfs/dbraw/zinc/16/01/24/619160124.db2.gz XHMYBODOLYKFIB-UBHSHLNASA-N 1 3 274.399 3.036 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@H]1NCCc1c[nH]c2c1cccc2Cl ZINC000925724912 619181294 /nfs/dbraw/zinc/18/12/94/619181294.db2.gz NXCAYIJPAXFDKJ-XHDPSFHLSA-N 1 3 291.826 3.094 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000925756308 619220592 /nfs/dbraw/zinc/22/05/92/619220592.db2.gz KOGLDYHAGPKSRG-HUUCEWRRSA-N 1 3 282.472 3.029 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2(c3cccc(F)c3)CCC2)C12CCC2 ZINC000925830275 619282693 /nfs/dbraw/zinc/28/26/93/619282693.db2.gz GOPVOPCACALTQT-HOTGVXAUSA-N 1 3 288.410 3.107 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000261558217 619288798 /nfs/dbraw/zinc/28/87/98/619288798.db2.gz DAALYWMNGHQKGQ-CBBWQLFWSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](CCc1cncc2ccccc21)[NH2+]CC[C@@H](C)N(C)C ZINC000895290297 619796898 /nfs/dbraw/zinc/79/68/98/619796898.db2.gz GJGFIJQOAJOMII-HZPDHXFCSA-N 1 3 299.462 3.486 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+]CC[C@@H](C)N(C)C ZINC000895293992 619797773 /nfs/dbraw/zinc/79/77/73/619797773.db2.gz MTERDTMRQUWROS-ZIAGYGMSSA-N 1 3 266.404 3.077 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000895587506 619855164 /nfs/dbraw/zinc/85/51/64/619855164.db2.gz XBAJKSYXQUWKQD-WBVHZDCISA-N 1 3 272.436 3.038 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000019905669 620141286 /nfs/dbraw/zinc/14/12/86/620141286.db2.gz PTADTFPLNVLSCS-UHFFFAOYSA-N 1 3 254.805 3.017 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144501 620179973 /nfs/dbraw/zinc/17/99/73/620179973.db2.gz UAWSVWOFQNMASN-ZQIUZPCESA-N 1 3 290.451 3.047 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144501 620179975 /nfs/dbraw/zinc/17/99/75/620179975.db2.gz UAWSVWOFQNMASN-ZQIUZPCESA-N 1 3 290.451 3.047 20 0 CGADHO CNc1ccc(C)cc1CNCc1cccc(C[NH+](C)C)c1 ZINC000902050775 621118657 /nfs/dbraw/zinc/11/86/57/621118657.db2.gz VZAWEWQFSJKILS-UHFFFAOYSA-N 1 3 297.446 3.388 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902450307 621329796 /nfs/dbraw/zinc/32/97/96/621329796.db2.gz COWIDWHJQHGHQD-TZMCWYRMSA-N 1 3 273.424 3.222 20 0 CGADHO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825691 621456460 /nfs/dbraw/zinc/45/64/60/621456460.db2.gz NZZVPDCLUBITTB-CVEARBPZSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825691 621456468 /nfs/dbraw/zinc/45/64/68/621456468.db2.gz NZZVPDCLUBITTB-CVEARBPZSA-N 1 3 298.434 3.007 20 0 CGADHO C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000903060087 621548438 /nfs/dbraw/zinc/54/84/38/621548438.db2.gz ZVCDYTARHBEBJM-GVDBMIGSSA-N 1 3 276.468 3.277 20 0 CGADHO FC(F)(F)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903171122 621619468 /nfs/dbraw/zinc/61/94/68/621619468.db2.gz MSXXPCWVURGCNT-VGPLMAKISA-N 1 3 288.357 3.076 20 0 CGADHO FC(F)(F)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903171122 621619471 /nfs/dbraw/zinc/61/94/71/621619471.db2.gz MSXXPCWVURGCNT-VGPLMAKISA-N 1 3 288.357 3.076 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CCCC12CCC2)c1cccnc1 ZINC000903378966 621721019 /nfs/dbraw/zinc/72/10/19/621721019.db2.gz UCZVDGZDWDYXAW-DLBZAZTESA-N 1 3 287.451 3.387 20 0 CGADHO CC[C@H](C)[C@@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385003 621725782 /nfs/dbraw/zinc/72/57/82/621725782.db2.gz UZLHMBLHWFNVIA-LZWOXQAQSA-N 1 3 263.429 3.099 20 0 CGADHO C[C@@H](NC/C=C/Cl)c1cccc(C[NH+](C)C)c1 ZINC000903446548 621758476 /nfs/dbraw/zinc/75/84/76/621758476.db2.gz YLMDODNNJIOAMJ-FZKGZDJFSA-N 1 3 252.789 3.151 20 0 CGADHO CCN(CCc1cccs1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722708 621796351 /nfs/dbraw/zinc/79/63/51/621796351.db2.gz NTOVLDYBXMDIRB-CQSZACIVSA-N 1 3 266.454 3.002 20 0 CGADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCOc1ccc3ccccc3c1)C2 ZINC000903846374 621820318 /nfs/dbraw/zinc/82/03/18/621820318.db2.gz NFXLLVGCVXYZMK-WBAXXEDZSA-N 1 3 296.414 3.030 20 0 CGADHO N[C@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890131 621823401 /nfs/dbraw/zinc/82/34/01/621823401.db2.gz YNOBXVQUOOBAGO-HUUCEWRRSA-N 1 3 282.378 3.066 20 0 CGADHO N[C@H](CC(F)F)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890131 621823405 /nfs/dbraw/zinc/82/34/05/621823405.db2.gz YNOBXVQUOOBAGO-HUUCEWRRSA-N 1 3 282.378 3.066 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903955371 621843324 /nfs/dbraw/zinc/84/33/24/621843324.db2.gz QDQAUWAEOIDALE-LBPRGKRZSA-N 1 3 294.345 3.076 20 0 CGADHO COCc1ccccc1C[NH2+]C[C@H](N)CCC(C)(C)C ZINC000904360862 621912030 /nfs/dbraw/zinc/91/20/30/621912030.db2.gz QNOUDAJEUBINTA-MRXNPFEDSA-N 1 3 278.440 3.076 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420494 621922001 /nfs/dbraw/zinc/92/20/01/621922001.db2.gz QNDNELICCLFTQX-UONOGXRCSA-N 1 3 298.352 3.055 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000226391644 622965769 /nfs/dbraw/zinc/96/57/69/622965769.db2.gz DKDNFNYAFOVZAV-MRXNPFEDSA-N 1 3 282.472 3.188 20 0 CGADHO CCOc1cccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000158168374 623010149 /nfs/dbraw/zinc/01/01/49/623010149.db2.gz ORPFMUOHPRTNEH-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1cccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158168374 623010162 /nfs/dbraw/zinc/01/01/62/623010162.db2.gz ORPFMUOHPRTNEH-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](C[NH2+]C1CC(c2ccccc2)C1)CN1CCCC1 ZINC000062078434 623198575 /nfs/dbraw/zinc/19/85/75/623198575.db2.gz XDVJZWHHFZHHTK-FAEJEUNOSA-N 1 3 272.436 3.254 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000921625438 625721460 /nfs/dbraw/zinc/72/14/60/625721460.db2.gz VXFFNWANCIVECL-KRWDZBQOSA-N 1 3 292.492 3.371 20 0 CGADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@H](CC[NH3+])C1 ZINC000923482910 626156831 /nfs/dbraw/zinc/15/68/31/626156831.db2.gz IRZZZGPLLULSKA-KGLIPLIRSA-N 1 3 285.391 3.073 20 0 CGADHO C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923494050 626158563 /nfs/dbraw/zinc/15/85/63/626158563.db2.gz VMHPAQFRFOWWTR-DGCLKSJQSA-N 1 3 286.341 3.122 20 0 CGADHO Cc1cc(C[NH2+]C2CCN(C3CCC3)CC2)cnc1Cl ZINC000760661054 626983951 /nfs/dbraw/zinc/98/39/51/626983951.db2.gz BAFOXVYFIYKYPG-UHFFFAOYSA-N 1 3 293.842 3.150 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622071 628115132 /nfs/dbraw/zinc/11/51/32/628115132.db2.gz PHYJCEDERZHXBE-UONOGXRCSA-N 1 3 271.408 3.160 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622071 628115136 /nfs/dbraw/zinc/11/51/36/628115136.db2.gz PHYJCEDERZHXBE-UONOGXRCSA-N 1 3 271.408 3.160 20 0 CGADHO C[C@H](C1CC1)[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000782181820 628620349 /nfs/dbraw/zinc/62/03/49/628620349.db2.gz YNNHVSQQZNAMKX-HZPDHXFCSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](C1CC1)[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000782181820 628620351 /nfs/dbraw/zinc/62/03/51/628620351.db2.gz YNNHVSQQZNAMKX-HZPDHXFCSA-N 1 3 264.457 3.229 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@@H](C)C[NH+]1CCCC1 ZINC000785761085 628886017 /nfs/dbraw/zinc/88/60/17/628886017.db2.gz WLIQBDWBCTVMCX-CQSZACIVSA-N 1 3 299.418 3.387 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000788520964 629062499 /nfs/dbraw/zinc/06/24/99/629062499.db2.gz NBCCCVNMBZTLJK-GDBMZVCRSA-N 1 3 271.408 3.130 20 0 CGADHO CCC(CC)(C[NH2+][C@@H](C)c1ccc(CN)nc1C)SC ZINC000817897912 632231645 /nfs/dbraw/zinc/23/16/45/632231645.db2.gz ARWWNTIALJBWJP-LBPRGKRZSA-N 1 3 295.496 3.421 20 0 CGADHO C[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1(Cl)Cl ZINC000817935235 632237654 /nfs/dbraw/zinc/23/76/54/632237654.db2.gz AOCXNZFEDNLOBG-YVECIDJPSA-N 1 3 291.266 3.081 20 0 CGADHO CC(C)C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccccn1 ZINC000817950273 632246663 /nfs/dbraw/zinc/24/66/63/632246663.db2.gz XPMKISRPQUMZIL-LJQANCHMSA-N 1 3 297.446 3.460 20 0 CGADHO COc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000820806529 632679887 /nfs/dbraw/zinc/67/98/87/632679887.db2.gz KFQAWZSWAVAWHK-CQSZACIVSA-N 1 3 299.418 3.003 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866250331 633045653 /nfs/dbraw/zinc/04/56/53/633045653.db2.gz YNELVDOMUWAVMQ-MNOVXSKESA-N 1 3 295.814 3.472 20 0 CGADHO CC[C@H](C[C@H](C)O)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000866637629 633226215 /nfs/dbraw/zinc/22/62/15/633226215.db2.gz YAHQOMBCAILIJY-LISAXSMJSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)CN1CCCCC1 ZINC000872025821 633946358 /nfs/dbraw/zinc/94/63/58/633946358.db2.gz UHRWWWBUJBTKPG-IXDOHACOSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)c1nc([C@@H](C)N[C@H](C)C2CC[NH2+]CC2)cs1 ZINC000873268277 634311999 /nfs/dbraw/zinc/31/19/99/634311999.db2.gz BMZBMNGLQVNJDB-VXGBXAGGSA-N 1 3 281.469 3.305 20 0 CGADHO ClC1(Cl)C[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000877084084 634978645 /nfs/dbraw/zinc/97/86/45/634978645.db2.gz PNDLKBYEGGIVBK-NSHDSACASA-N 1 3 291.266 3.177 20 0 CGADHO COc1c(C)cc(CNCc2ccc(C[NH3+])cc2)cc1C ZINC000843127227 635561923 /nfs/dbraw/zinc/56/19/23/635561923.db2.gz CSCDEWDDWMRNRV-UHFFFAOYSA-N 1 3 284.403 3.061 20 0 CGADHO CC(C)(C)SCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000878747838 635622123 /nfs/dbraw/zinc/62/21/23/635622123.db2.gz OUNUOSMJPWDPJX-UHFFFAOYSA-N 1 3 293.480 3.125 20 0 CGADHO CC(C)(C)SCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000878747838 635622126 /nfs/dbraw/zinc/62/21/26/635622126.db2.gz OUNUOSMJPWDPJX-UHFFFAOYSA-N 1 3 293.480 3.125 20 0 CGADHO CN(CCCC[NH+]1CCCCC1)Cc1ccnc(Cl)c1 ZINC000880517181 636013701 /nfs/dbraw/zinc/01/37/01/636013701.db2.gz KWTBKPNJHKTHRU-UHFFFAOYSA-N 1 3 295.858 3.433 20 0 CGADHO C([NH2+][C@@H]1CCCC2(CC2)C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000883237717 636607029 /nfs/dbraw/zinc/60/70/29/636607029.db2.gz IPIAVJGLDHYHOS-DLBZAZTESA-N 1 3 276.468 3.421 20 0 CGADHO C1=C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000883237986 636607717 /nfs/dbraw/zinc/60/77/17/636607717.db2.gz OWRGWNFHUXBVCS-HNNXBMFYSA-N 1 3 262.441 3.339 20 0 CGADHO Cc1coc(CNCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000885922300 637313532 /nfs/dbraw/zinc/31/35/32/637313532.db2.gz ACXJZSOHIZMPRN-OAHLLOKOSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1coc(CNCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000885922300 637313538 /nfs/dbraw/zinc/31/35/38/637313538.db2.gz ACXJZSOHIZMPRN-OAHLLOKOSA-N 1 3 264.413 3.332 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000885969158 637337683 /nfs/dbraw/zinc/33/76/83/637337683.db2.gz LQNKEYSUUWGZME-GVDBMIGSSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1coc(CNC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000886012464 637361516 /nfs/dbraw/zinc/36/15/16/637361516.db2.gz INTJJHVUKWKFEK-UHFFFAOYSA-N 1 3 276.424 3.475 20 0 CGADHO C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886016923 637365977 /nfs/dbraw/zinc/36/59/77/637365977.db2.gz OQXKEPDHUQFBLI-KURKYZTESA-N 1 3 276.468 3.373 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030434 637373766 /nfs/dbraw/zinc/37/37/66/637373766.db2.gz KRWQGFWNFZSJGX-OIISXLGYSA-N 1 3 264.457 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030434 637373772 /nfs/dbraw/zinc/37/37/72/637373772.db2.gz KRWQGFWNFZSJGX-OIISXLGYSA-N 1 3 264.457 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030434 637373780 /nfs/dbraw/zinc/37/37/80/637373780.db2.gz KRWQGFWNFZSJGX-OIISXLGYSA-N 1 3 264.457 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030434 637373783 /nfs/dbraw/zinc/37/37/83/637373783.db2.gz KRWQGFWNFZSJGX-OIISXLGYSA-N 1 3 264.457 3.086 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169885 637446688 /nfs/dbraw/zinc/44/66/88/637446688.db2.gz KQLJYJAQHPPYRO-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO FC1(F)CCC[C@@H]1CCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876212 637716173 /nfs/dbraw/zinc/71/61/73/637716173.db2.gz XMYXDPYFHKLQNK-HUUCEWRRSA-N 1 3 286.410 3.278 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000221909193 637765500 /nfs/dbraw/zinc/76/55/00/637765500.db2.gz KIJZGPXLWALOEA-CQSZACIVSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853248413 637794219 /nfs/dbraw/zinc/79/42/19/637794219.db2.gz GACMFEJKBSRRMW-XJKSGUPXSA-N 1 3 276.424 3.036 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924618410 638377698 /nfs/dbraw/zinc/37/76/98/638377698.db2.gz ZIRRZXAAYXCUNM-SJLPKXTDSA-N 1 3 289.467 3.113 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)CN1CCCCC1 ZINC000924723370 638395943 /nfs/dbraw/zinc/39/59/43/638395943.db2.gz YDESCNLPAJHERU-KZNAEPCWSA-N 1 3 296.499 3.029 20 0 CGADHO CC(C)(C)SCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925582906 638537302 /nfs/dbraw/zinc/53/73/02/638537302.db2.gz ISLUCAQBMXVPSY-LSDHHAIUSA-N 1 3 284.513 3.276 20 0 CGADHO CCOCCC1(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000925597028 638540475 /nfs/dbraw/zinc/54/04/75/638540475.db2.gz FYRRZCXOQAPXMY-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H](c2cccnc2)C2CC2)C1 ZINC000925632088 638550421 /nfs/dbraw/zinc/55/04/21/638550421.db2.gz ZTZOVXWFPNQDHZ-BZUAXINKSA-N 1 3 273.424 3.028 20 0 CGADHO C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)[C@H]1CCCCS1 ZINC000925633975 638551594 /nfs/dbraw/zinc/55/15/94/638551594.db2.gz HMBBOHVRPLURDU-OAGGEKHMSA-N 1 3 282.497 3.030 20 0 CGADHO CCCCO[C@@H]1C[C@H](N2CCC([NH3+])(CC)CC2)C1(C)C ZINC000925756969 638599426 /nfs/dbraw/zinc/59/94/26/638599426.db2.gz QMTFYTUKFHFHQV-LSDHHAIUSA-N 1 3 282.472 3.174 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccsc1 ZINC000925778900 638609973 /nfs/dbraw/zinc/60/99/73/638609973.db2.gz UYPQIIXFYHODHP-NEPJUHHUSA-N 1 3 274.380 3.034 20 0 CGADHO C1=CCC(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925830850 638625769 /nfs/dbraw/zinc/62/57/69/638625769.db2.gz GBAQTARRABXNET-IRXDYDNUSA-N 1 3 262.441 3.101 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN[C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000925883372 638643247 /nfs/dbraw/zinc/64/32/47/638643247.db2.gz VTBVJMSBMQPYDR-XCRHUMRWSA-N 1 3 299.393 3.027 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000926785769 638811619 /nfs/dbraw/zinc/81/16/19/638811619.db2.gz NEMJLANWNHCQHW-JKSUJKDBSA-N 1 3 270.436 3.367 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CC3(CCC3)CO2)CC1 ZINC000926871058 638819851 /nfs/dbraw/zinc/81/98/51/638819851.db2.gz JOSGSFKDWZXOEN-KRWDZBQOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CN(CCCC(C)(F)F)CCN1c1cc[nH+]cc1 ZINC000931684107 639187594 /nfs/dbraw/zinc/18/75/94/639187594.db2.gz OLAUTISJZTZHJC-CYBMUJFWSA-N 1 3 283.366 3.028 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000157383482 639989758 /nfs/dbraw/zinc/98/97/58/639989758.db2.gz IVWDLOQFSQSIPH-GOEBONIOSA-N 1 3 278.415 3.077 20 0 CGADHO C[C@H](Cc1ccco1)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000250969736 640818705 /nfs/dbraw/zinc/81/87/05/640818705.db2.gz DLVCPQSYKBTFAD-RRFJBIMHSA-N 1 3 264.413 3.111 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251148857 640822600 /nfs/dbraw/zinc/82/26/00/640822600.db2.gz GRFXXNQYOVEZTR-XIRDDKMYSA-N 1 3 260.425 3.033 20 0 CGADHO Cc1cc2[nH]ccc2c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)n1 ZINC001155549097 805589745 /nfs/dbraw/zinc/58/97/45/805589745.db2.gz HETHNPKJLGRYMK-WBVHZDCISA-N 1 3 292.386 3.386 20 0 CGADHO Cc1cnccc1Nc1cnccc1[C@@H]1C[C@@H](C)C[C@@H]([NH3+])C1 ZINC001159383519 806093957 /nfs/dbraw/zinc/09/39/57/806093957.db2.gz JDBKCLHGMFELDM-BPLDGKMQSA-N 1 3 296.418 3.181 20 0 CGADHO CCCCC[C@H](O)CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253533391 806237946 /nfs/dbraw/zinc/23/79/46/806237946.db2.gz QPQHDSHJPHCBKH-MSOLQXFVSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253533391 806237954 /nfs/dbraw/zinc/23/79/54/806237954.db2.gz QPQHDSHJPHCBKH-MSOLQXFVSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253533391 806237960 /nfs/dbraw/zinc/23/79/60/806237960.db2.gz QPQHDSHJPHCBKH-MSOLQXFVSA-N 1 3 296.499 3.268 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254454627 806406855 /nfs/dbraw/zinc/40/68/55/806406855.db2.gz DXOLGDCYPBXOEN-OALUTQOASA-N 1 3 286.463 3.396 20 0 CGADHO CC[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC001254500117 806420745 /nfs/dbraw/zinc/42/07/45/806420745.db2.gz FLGGGLYTUSHCKI-JKSUJKDBSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500117 806420750 /nfs/dbraw/zinc/42/07/50/806420750.db2.gz FLGGGLYTUSHCKI-JKSUJKDBSA-N 1 3 264.388 3.351 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1cc(F)cc(F)c1 ZINC001254506017 806425365 /nfs/dbraw/zinc/42/53/65/806425365.db2.gz NLYVMDADYRQMOU-IAQYHMDHSA-N 1 3 268.351 3.100 20 0 CGADHO CCN(Cc1cccc(F)c1)[C@H]1CCC[N@H+](C)CC1 ZINC001254529510 806441277 /nfs/dbraw/zinc/44/12/77/806441277.db2.gz NBIYEIQWXWNRMC-INIZCTEOSA-N 1 3 264.388 3.132 20 0 CGADHO CCN(Cc1cccc(F)c1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254529510 806441282 /nfs/dbraw/zinc/44/12/82/806441282.db2.gz NBIYEIQWXWNRMC-INIZCTEOSA-N 1 3 264.388 3.132 20 0 CGADHO CCN(CC)Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1F ZINC001162402786 806577872 /nfs/dbraw/zinc/57/78/72/806577872.db2.gz AHNJVTWGGBRGOS-CABCVRRESA-N 1 3 293.430 3.349 20 0 CGADHO CCN(CC)Cc1cccc(NC[C@H]2C[NH2+][C@H](C)C2)c1F ZINC001162559350 806620052 /nfs/dbraw/zinc/62/00/52/806620052.db2.gz MGTNQCYWZGNXHP-ZIAGYGMSSA-N 1 3 293.430 3.077 20 0 CGADHO c1ccc(CN2CCC[C@H]([NH+]3CC4CC(C4)C3)CC2)cc1 ZINC001255409005 806634556 /nfs/dbraw/zinc/63/45/56/806634556.db2.gz RXZDNHXRMBVOQO-ACBHZAAOSA-N 1 3 284.447 3.383 20 0 CGADHO CCCC(C[NH3+])(CCC)Nc1cc(N2CCCC2)ccn1 ZINC001163040286 806695296 /nfs/dbraw/zinc/69/52/96/806695296.db2.gz JCMGEIZBMAYBOB-UHFFFAOYSA-N 1 3 290.455 3.391 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc2c(c1)CCO2 ZINC000037644613 798871441 /nfs/dbraw/zinc/87/14/41/798871441.db2.gz FKORKZIXOQEVAN-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644613 798871448 /nfs/dbraw/zinc/87/14/48/798871448.db2.gz FKORKZIXOQEVAN-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644613 798871452 /nfs/dbraw/zinc/87/14/52/798871452.db2.gz FKORKZIXOQEVAN-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CCC([NH2+][C@@H](C)c2nc3ccccc3s2)CC1 ZINC000037978972 798880813 /nfs/dbraw/zinc/88/08/13/798880813.db2.gz RTNKPGPOJNUOES-LBPRGKRZSA-N 1 3 289.448 3.431 20 0 CGADHO CN(C)C1CC[NH+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255708716 806713671 /nfs/dbraw/zinc/71/36/71/806713671.db2.gz NPEYNKCXXKEQOB-WCQYABFASA-N 1 3 278.362 3.134 20 0 CGADHO CN1CC2(C1)CC[NH+]([C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001255720754 806718984 /nfs/dbraw/zinc/71/89/84/806718984.db2.gz NOCVEAZEFQVGEG-QWHCGFSZSA-N 1 3 290.373 3.135 20 0 CGADHO CCCOc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000312945852 799230366 /nfs/dbraw/zinc/23/03/66/799230366.db2.gz QPVHIARZCDWDMH-INIZCTEOSA-N 1 3 276.424 3.036 20 0 CGADHO Clc1ccc(CN2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000380676528 799366218 /nfs/dbraw/zinc/36/62/18/799366218.db2.gz OILYKTOUFSLNNI-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000381951867 799391635 /nfs/dbraw/zinc/39/16/35/799391635.db2.gz CWVRRDKVHOXYDA-OTBWCIGPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC2CCC1CC2)CN1CCCCC1 ZINC000382048026 799392376 /nfs/dbraw/zinc/39/23/76/799392376.db2.gz VUGJTZJGOXHQII-VXLLPVPCSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](C[NH2+]C1CCC(C(C)(C)C)CC1)CN(C)C ZINC000386576594 799437655 /nfs/dbraw/zinc/43/76/55/799437655.db2.gz YWKVVDNFHFNYTD-WLYUNCDWSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)C1(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000687535045 799740051 /nfs/dbraw/zinc/74/00/51/799740051.db2.gz GXHBZTCKRKGQIJ-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1(Cl)CC1 ZINC000695634709 799830212 /nfs/dbraw/zinc/83/02/12/799830212.db2.gz BGIRCOHNGVIJAR-STQMWFEESA-N 1 3 258.837 3.000 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700817572 799880406 /nfs/dbraw/zinc/88/04/06/799880406.db2.gz VQXWWLJRLUUMJN-ZBFHGGJFSA-N 1 3 278.415 3.078 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1C[C@H]1c1ccccc1 ZINC001255948951 806793709 /nfs/dbraw/zinc/79/37/09/806793709.db2.gz RUQBSFRTRLQFEX-BHYGNILZSA-N 1 3 260.425 3.253 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CCCC(C)(C)O ZINC001255947888 806794010 /nfs/dbraw/zinc/79/40/10/806794010.db2.gz YKWSLIZRZBUKRX-LSDHHAIUSA-N 1 3 272.477 3.026 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1C[C@H]1c1ccccc1 ZINC001255948952 806794049 /nfs/dbraw/zinc/79/40/49/806794049.db2.gz RUQBSFRTRLQFEX-HYVNUMGLSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@H]1C[N@@H+](C2CCC3(CCCC3)CC2)C[C@H]1CN ZINC000708836896 799996418 /nfs/dbraw/zinc/99/64/18/799996418.db2.gz RDYJCMZIBATFSA-UONOGXRCSA-N 1 3 250.430 3.016 20 0 CGADHO C[C@H]1C[N@H+](C2CCC3(CCCC3)CC2)C[C@H]1CN ZINC000708836896 799996422 /nfs/dbraw/zinc/99/64/22/799996422.db2.gz RDYJCMZIBATFSA-UONOGXRCSA-N 1 3 250.430 3.016 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001255948470 806794154 /nfs/dbraw/zinc/79/41/54/806794154.db2.gz LQFSDWYELQBDBP-JKSUJKDBSA-N 1 3 292.467 3.423 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCOc1cccc(F)c1 ZINC001255950524 806795819 /nfs/dbraw/zinc/79/58/19/806795819.db2.gz IXWPLZDDALHUQB-HNNXBMFYSA-N 1 3 296.430 3.305 20 0 CGADHO CCCC1CCC([N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000709852400 800020238 /nfs/dbraw/zinc/02/02/38/800020238.db2.gz WAXGSQPAKIEUDE-JCYILVPMSA-N 1 3 264.457 3.421 20 0 CGADHO CCCC1CCC([N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000709852400 800020241 /nfs/dbraw/zinc/02/02/41/800020241.db2.gz WAXGSQPAKIEUDE-JCYILVPMSA-N 1 3 264.457 3.421 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC1(c2cc(C)ccn2)CC1 ZINC001255953956 806796466 /nfs/dbraw/zinc/79/64/66/806796466.db2.gz XLJDKWQSRXZPHL-INIZCTEOSA-N 1 3 289.467 3.132 20 0 CGADHO CC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716717162 800178201 /nfs/dbraw/zinc/17/82/01/800178201.db2.gz IUJIGYJCZRAXGC-RWHFTWSDSA-N 1 3 284.447 3.428 20 0 CGADHO CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712549 800178675 /nfs/dbraw/zinc/17/86/75/800178675.db2.gz MOVQNNOVTGJAOB-BBWFWOEESA-N 1 3 258.409 3.039 20 0 CGADHO C[C@H]1CN(C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256073373 806812509 /nfs/dbraw/zinc/81/25/09/806812509.db2.gz SYFVKUHJHRIDLD-AWEZNQCLSA-N 1 3 270.420 3.233 20 0 CGADHO CSC1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000720597496 800263553 /nfs/dbraw/zinc/26/35/53/800263553.db2.gz XBPBKBMGAJRCAC-JYVUQVBGSA-N 1 3 270.486 3.015 20 0 CGADHO CSCc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000725124930 800374042 /nfs/dbraw/zinc/37/40/42/800374042.db2.gz XUDIXJXSSRQACE-MRXNPFEDSA-N 1 3 290.476 3.124 20 0 CGADHO COc1cccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC001256153986 806837369 /nfs/dbraw/zinc/83/73/69/806837369.db2.gz RQZPXODKNIMLLQ-UAGQMJEPSA-N 1 3 290.451 3.089 20 0 CGADHO Cc1cc(C)c(NCC2(N(C)C)CC[NH+](C)CC2)c(C)c1 ZINC001164211316 806915710 /nfs/dbraw/zinc/91/57/10/806915710.db2.gz PPXWUKVOIGQHMK-UHFFFAOYSA-N 1 3 289.467 3.050 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001256568686 806918269 /nfs/dbraw/zinc/91/82/69/806918269.db2.gz AYNMUQHGXZYOGZ-QGZVFWFLSA-N 1 3 287.451 3.312 20 0 CGADHO CCN(Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629440 806932143 /nfs/dbraw/zinc/93/21/43/806932143.db2.gz FYZOWOOIGFVDJV-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO CCN(Cc1ccc(OC)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629440 806932151 /nfs/dbraw/zinc/93/21/51/806932151.db2.gz FYZOWOOIGFVDJV-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO C[C@H]1CCCC[C@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678468 806947595 /nfs/dbraw/zinc/94/75/95/806947595.db2.gz WRTRNLATHVHIJT-VYMRPNJYSA-N 1 3 294.483 3.046 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687212 806947964 /nfs/dbraw/zinc/94/79/64/806947964.db2.gz QEXNPTAOCKPEHQ-JCYILVPMSA-N 1 3 294.483 3.188 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001116136324 802303967 /nfs/dbraw/zinc/30/39/67/802303967.db2.gz XWCNWLGTLDQMLS-UHFFFAOYSA-N 1 3 286.463 3.387 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC001118349315 802551214 /nfs/dbraw/zinc/55/12/14/802551214.db2.gz PKBQROKYWBHDLQ-UHFFFAOYSA-N 1 3 288.439 3.196 20 0 CGADHO CC(C)c1cccc(CN2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206808052 813443758 /nfs/dbraw/zinc/44/37/58/813443758.db2.gz JPYXHVUNNKVBSF-ZBFHGGJFSA-N 1 3 260.425 3.369 20 0 CGADHO C[NH2+]Cc1cccc(-c2ccc(CN(C)C3CC3)cn2)c1F ZINC001244859653 803552329 /nfs/dbraw/zinc/55/23/29/803552329.db2.gz TUVYFRXQXFZFDW-UHFFFAOYSA-N 1 3 299.393 3.201 20 0 CGADHO CN(C)Cc1ccnc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001245350161 803708665 /nfs/dbraw/zinc/70/86/65/803708665.db2.gz RIQRXMGNZZWMGS-QGZVFWFLSA-N 1 3 281.403 3.235 20 0 CGADHO Fc1cccc(CCN[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246073546 804112495 /nfs/dbraw/zinc/11/24/95/804112495.db2.gz GFWQTZZWVPDPJH-QGZVFWFLSA-N 1 3 290.426 3.413 20 0 CGADHO Cc1ccccc1CCN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246074637 804113699 /nfs/dbraw/zinc/11/36/99/804113699.db2.gz FDXPXUFKFVRUAG-IRXDYDNUSA-N 1 3 274.452 3.294 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246075456 804114893 /nfs/dbraw/zinc/11/48/93/804114893.db2.gz UCZULXHOLMSPSK-IAGOWNOFSA-N 1 3 278.415 3.269 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC001246092499 804124974 /nfs/dbraw/zinc/12/49/74/804124974.db2.gz CZWLQJWKVFFPMM-WOSRLPQWSA-N 1 3 296.455 3.284 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246103367 804137368 /nfs/dbraw/zinc/13/73/68/804137368.db2.gz YQNHFCRJHMTKAY-SJORKVTESA-N 1 3 274.452 3.294 20 0 CGADHO C[C@@H]1CC[C@H](CN[C@H]2CCC[C@@H](C(F)(F)F)C2)[NH2+]C1 ZINC001246105994 804138138 /nfs/dbraw/zinc/13/81/38/804138138.db2.gz CLWQNXUCCSFTCW-FVCCEPFGSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)CCC[C@@H](C)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107947 804140607 /nfs/dbraw/zinc/14/06/07/804140607.db2.gz BMOALPJWISUDLI-CHWSQXEVSA-N 1 3 280.378 3.333 20 0 CGADHO CC[C@H](C)C[C@H](CC)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246117017 804148362 /nfs/dbraw/zinc/14/83/62/804148362.db2.gz YUGNVCMVRUXGKJ-SOUVJXGZSA-N 1 3 258.425 3.273 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246142184 804165192 /nfs/dbraw/zinc/16/51/92/804165192.db2.gz FEMNLPFBPVWBNQ-XDNAFOTISA-N 1 3 296.499 3.196 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccc(C)s2)CC[NH2+]1 ZINC001246166583 804181233 /nfs/dbraw/zinc/18/12/33/804181233.db2.gz BDVTXMJZWNPNKC-LSDHHAIUSA-N 1 3 280.481 3.499 20 0 CGADHO CC1(C)C[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246170686 804186555 /nfs/dbraw/zinc/18/65/55/804186555.db2.gz IUTXWECXWRSKGW-QFQXCOSMSA-N 1 3 276.468 3.323 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)CCN1 ZINC001246180677 804193433 /nfs/dbraw/zinc/19/34/33/804193433.db2.gz QSJWLVPQFCOQRP-AWEZNQCLSA-N 1 3 296.842 3.229 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246180902 804193694 /nfs/dbraw/zinc/19/36/94/804193694.db2.gz SNGLTPKHZJEAKL-DOMZBBRYSA-N 1 3 280.843 3.391 20 0 CGADHO C[C@@]1(N[C@@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192336 804199690 /nfs/dbraw/zinc/19/96/90/804199690.db2.gz ZTCQFUMFYBANLY-BRWVUGGUSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N[C@H]1C[C@@H]([NH3+])C1 ZINC001246190666 804199794 /nfs/dbraw/zinc/19/97/94/804199794.db2.gz RBODTEJAVJIQMA-INTQDDNPSA-N 1 3 288.769 3.019 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246190666 804199799 /nfs/dbraw/zinc/19/97/99/804199799.db2.gz RBODTEJAVJIQMA-INTQDDNPSA-N 1 3 288.769 3.019 20 0 CGADHO CC(C)(C)C1CCC([NH2+]C[C@H]2CNCC[C@@H]2F)CC1 ZINC001246220532 804215357 /nfs/dbraw/zinc/21/53/57/804215357.db2.gz GEYSTZBJIYTXFY-URGYJCLVSA-N 1 3 270.436 3.129 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246223769 804217417 /nfs/dbraw/zinc/21/74/17/804217417.db2.gz VBHBGJZWCBUGHX-UYJHQMFVSA-N 1 3 250.430 3.075 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246223770 804217690 /nfs/dbraw/zinc/21/76/90/804217690.db2.gz VBHBGJZWCBUGHX-XFIYOXNOSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246233446 804224748 /nfs/dbraw/zinc/22/47/48/804224748.db2.gz KHKRGFUJYSJANX-XOYOTBSWSA-N 1 3 272.436 3.443 20 0 CGADHO CC[C@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241079 804233187 /nfs/dbraw/zinc/23/31/87/804233187.db2.gz WPWVOYXXPHFTGE-HOTGVXAUSA-N 1 3 292.854 3.492 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2C[C@H](C)N[C@@H](C)C2)CC(C)(C)C1 ZINC001246252380 804238158 /nfs/dbraw/zinc/23/81/58/804238158.db2.gz VUWDUHLMJAAJLC-OSFYFWSMSA-N 1 3 252.446 3.320 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+][C@]1(CCO)CCNC1 ZINC001246295516 804263882 /nfs/dbraw/zinc/26/38/82/804263882.db2.gz OTAAPPKQZDKSKX-SJORKVTESA-N 1 3 284.488 3.220 20 0 CGADHO C[C@@H]([NH3+])CCN[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246306198 804269201 /nfs/dbraw/zinc/26/92/01/804269201.db2.gz QNEPKRPISJGSHW-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@H]([NH3+])CCN[C@H](C)Cc1ccccc1Br ZINC001246308850 804271130 /nfs/dbraw/zinc/27/11/30/804271130.db2.gz SHVRVHWYSVTVPA-YPMHNXCESA-N 1 3 299.256 3.097 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H]1CCc2cccc(Cl)c2C1 ZINC001246310819 804272946 /nfs/dbraw/zinc/27/29/46/804272946.db2.gz MYRIPDFMSWLTAL-KBPBESRZSA-N 1 3 280.843 3.160 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC001246327288 804283997 /nfs/dbraw/zinc/28/39/97/804283997.db2.gz SMWALYZWBSEJDG-NXHRZFHOSA-N 1 3 274.452 3.374 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246330854 804285925 /nfs/dbraw/zinc/28/59/25/804285925.db2.gz YPVXFBGYBXALOR-HOTGVXAUSA-N 1 3 296.405 3.264 20 0 CGADHO CC[C@H](C)C1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246332752 804287405 /nfs/dbraw/zinc/28/74/05/804287405.db2.gz HPGVYNCAXUVELD-SXDHFHGXSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCCCc2ccccc2)CCN1 ZINC001246338648 804292406 /nfs/dbraw/zinc/29/24/06/804292406.db2.gz CDLSLKNRCICERE-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO CCCCC1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246340487 804293326 /nfs/dbraw/zinc/29/33/26/804293326.db2.gz HXRAKYVHOXDNOR-LMPOIIKSSA-N 1 3 252.446 3.466 20 0 CGADHO [NH3+]CC1(N[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001246356027 804301046 /nfs/dbraw/zinc/30/10/46/804301046.db2.gz LXEGGIRELFFCRC-LBPRGKRZSA-N 1 3 299.245 3.322 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC1(C[NH3+])CCC1 ZINC001246355623 804302155 /nfs/dbraw/zinc/30/21/55/804302155.db2.gz KYEGDFCBYUJQTF-SNVBAGLBSA-N 1 3 287.234 3.395 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)C2CCCCC2)C[C@H](C)N1 ZINC001246356548 804302473 /nfs/dbraw/zinc/30/24/73/804302473.db2.gz UVKDWLRYZIAYOW-AGGWBTHJSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246364624 804305346 /nfs/dbraw/zinc/30/53/46/804305346.db2.gz SWXOOJLKZHZMJM-XGUBFFRZSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCNCC1(C)C ZINC001246378520 804311903 /nfs/dbraw/zinc/31/19/03/804311903.db2.gz WIFMVPYUVKUFTB-XHDPSFHLSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[NH2+]CC1(C)C ZINC001246378520 804311913 /nfs/dbraw/zinc/31/19/13/804311913.db2.gz WIFMVPYUVKUFTB-XHDPSFHLSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246383414 804313387 /nfs/dbraw/zinc/31/33/87/804313387.db2.gz JKFSTHODJZIRKX-BBRMVZONSA-N 1 3 292.854 3.393 20 0 CGADHO Cc1ccccc1CC1(C[NH2+][C@@H]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001246387515 804318819 /nfs/dbraw/zinc/31/88/19/804318819.db2.gz HURAFUILMJKQOV-ALXJQNPVSA-N 1 3 286.463 3.436 20 0 CGADHO C[C@H]1CC(NCCc2cccc(Cl)c2F)C[C@H](C)[NH2+]1 ZINC001246419992 804327781 /nfs/dbraw/zinc/32/77/81/804327781.db2.gz IEWYFOPWAJMGMH-QWRGUYRKSA-N 1 3 284.806 3.140 20 0 CGADHO CCC1([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCNCC1 ZINC001246423625 804328380 /nfs/dbraw/zinc/32/83/80/804328380.db2.gz MRCREHRJJBCHGY-INIZCTEOSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246431055 804328697 /nfs/dbraw/zinc/32/86/97/804328697.db2.gz IWIAYZZVBUAOTH-UKRRQHHQSA-N 1 3 278.415 3.125 20 0 CGADHO Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246432983 804331002 /nfs/dbraw/zinc/33/10/02/804331002.db2.gz HGPPSVSKBYOTSJ-WBVHZDCISA-N 1 3 274.452 3.294 20 0 CGADHO CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC001246432846 804332869 /nfs/dbraw/zinc/33/28/69/804332869.db2.gz HYTOKQHADGSHCA-XQLPTFJDSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@]1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC001246457359 804338840 /nfs/dbraw/zinc/33/88/40/804338840.db2.gz SRLMMYHQGLQXTQ-AVGNSLFASA-N 1 3 278.362 3.229 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001246457772 804340803 /nfs/dbraw/zinc/34/08/03/804340803.db2.gz DMZGONXQRZRPIG-UCUFBTAOSA-N 1 3 258.409 3.182 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](NC)C1 ZINC001246461000 804341627 /nfs/dbraw/zinc/34/16/27/804341627.db2.gz MPPGBGQKWLVMDP-BRWVUGGUSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)C[C@H](C)N1 ZINC001246466135 804345545 /nfs/dbraw/zinc/34/55/45/804345545.db2.gz MOFBGSCNOBXOSI-FSDCSDTHSA-N 1 3 272.436 3.225 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H](C[NH3+])CC(C)C)cc1 ZINC001246501318 804362275 /nfs/dbraw/zinc/36/22/75/804362275.db2.gz ADEUFRXIWBYBGQ-GJZGRUSLSA-N 1 3 280.481 3.439 20 0 CGADHO C1CC([C@@H]([NH2+]C2CCCCCCC2)C2CNC2)C1 ZINC001246514389 804369014 /nfs/dbraw/zinc/36/90/14/804369014.db2.gz GULZEHGMHZCPCE-MRXNPFEDSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514008 804369443 /nfs/dbraw/zinc/36/94/43/804369443.db2.gz ZKZLHXAJMAXVQF-SPUZQDLCSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)C[NH+](CC(C)C)[C@H]1CCNC2(CCC2)C1 ZINC001246522234 804375694 /nfs/dbraw/zinc/37/56/94/804375694.db2.gz VBWORJVZVMWCAP-HNNXBMFYSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)C1CNC1 ZINC001246521031 804377452 /nfs/dbraw/zinc/37/74/52/804377452.db2.gz YJEVCSMRJRKWMR-WMLDXEAASA-N 1 3 292.854 3.031 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246554157 804404194 /nfs/dbraw/zinc/40/41/94/804404194.db2.gz CSBXLLVQRIFFJE-RWMBFGLXSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246554157 804404197 /nfs/dbraw/zinc/40/41/97/804404197.db2.gz CSBXLLVQRIFFJE-RWMBFGLXSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554157 804404201 /nfs/dbraw/zinc/40/42/01/804404201.db2.gz CSBXLLVQRIFFJE-RWMBFGLXSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246554155 804404995 /nfs/dbraw/zinc/40/49/95/804404995.db2.gz CSBXLLVQRIFFJE-AVGNSLFASA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246554155 804404997 /nfs/dbraw/zinc/40/49/97/804404997.db2.gz CSBXLLVQRIFFJE-AVGNSLFASA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246554155 804405001 /nfs/dbraw/zinc/40/50/01/804405001.db2.gz CSBXLLVQRIFFJE-AVGNSLFASA-N 1 3 262.388 3.117 20 0 CGADHO [NH3+][C@@H]1CCCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538597 804387490 /nfs/dbraw/zinc/38/74/90/804387490.db2.gz DBBDBCHSTUIFIB-ZIAGYGMSSA-N 1 3 278.827 3.011 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C)C2)c1 ZINC001246538819 804389201 /nfs/dbraw/zinc/38/92/01/804389201.db2.gz OFMFDEBGURHIQK-OIISXLGYSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C)C2)c1 ZINC001246538819 804389207 /nfs/dbraw/zinc/38/92/07/804389207.db2.gz OFMFDEBGURHIQK-OIISXLGYSA-N 1 3 258.409 3.272 20 0 CGADHO C[C@]1([NH3+])CCCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548044 804398536 /nfs/dbraw/zinc/39/85/36/804398536.db2.gz FGFSLIJIHZTBIF-HOTGVXAUSA-N 1 3 278.827 3.011 20 0 CGADHO CCCC[C@@H]1C[C@@H](N2CCC(C)(F)CC2)CC[NH2+]1 ZINC001246548771 804398975 /nfs/dbraw/zinc/39/89/75/804398975.db2.gz GNUCWGOWGXBDMR-KGLIPLIRSA-N 1 3 256.409 3.121 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246562897 804412193 /nfs/dbraw/zinc/41/21/93/804412193.db2.gz ICNBALKXHZMYBC-VNHYZAJKSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246593863 804434980 /nfs/dbraw/zinc/43/49/80/804434980.db2.gz TWTVAPGPVAXFJJ-NFAWXSAZSA-N 1 3 292.854 3.257 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001246594011 804435070 /nfs/dbraw/zinc/43/50/70/804435070.db2.gz UVZFVXKJCRFKIN-MPGHIAIKSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001246594011 804435075 /nfs/dbraw/zinc/43/50/75/804435075.db2.gz UVZFVXKJCRFKIN-MPGHIAIKSA-N 1 3 274.452 3.239 20 0 CGADHO CC(C)[N@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CCCNCC1 ZINC001246593354 804435515 /nfs/dbraw/zinc/43/55/15/804435515.db2.gz MLIWREJFNAXJOE-LVQVYYBASA-N 1 3 264.457 3.274 20 0 CGADHO CC(C)[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CCCNCC1 ZINC001246593354 804435518 /nfs/dbraw/zinc/43/55/18/804435518.db2.gz MLIWREJFNAXJOE-LVQVYYBASA-N 1 3 264.457 3.274 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]23CCCNC3)C[C@H]1C ZINC001246608203 804442664 /nfs/dbraw/zinc/44/26/64/804442664.db2.gz IIFIPXMABORXHV-WCVJEAGWSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCCNC3)C[C@H]1C ZINC001246608203 804442671 /nfs/dbraw/zinc/44/26/71/804442671.db2.gz IIFIPXMABORXHV-WCVJEAGWSA-N 1 3 250.430 3.029 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246613257 804446691 /nfs/dbraw/zinc/44/66/91/804446691.db2.gz XUOUTZCDAVSBDB-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246613257 804446695 /nfs/dbraw/zinc/44/66/95/804446695.db2.gz XUOUTZCDAVSBDB-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246619095 804453380 /nfs/dbraw/zinc/45/33/80/804453380.db2.gz HJOUOIPAUWQQDL-OFLPRAFFSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@@]3(C2)CCCCN3)CC1 ZINC001246619095 804453385 /nfs/dbraw/zinc/45/33/85/804453385.db2.gz HJOUOIPAUWQQDL-OFLPRAFFSA-N 1 3 264.457 3.419 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623533 804455193 /nfs/dbraw/zinc/45/51/93/804455193.db2.gz AOZUEHCJBNRLAL-BDXSIMOUSA-N 1 3 270.420 3.149 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001246625725 804457512 /nfs/dbraw/zinc/45/75/12/804457512.db2.gz SNJIZFGYOYTIOO-YQQAZPJKSA-N 1 3 290.476 3.159 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC3(CCCc4ccccc43)CC2)CCN1 ZINC001246628206 804458186 /nfs/dbraw/zinc/45/81/86/804458186.db2.gz WWSCZMRERICLJP-FUHWJXTLSA-N 1 3 298.474 3.497 20 0 CGADHO C[C@H]1CC(N2CC[C@]3(C2)CCCC[NH2+]3)C[C@H](C)C1 ZINC001246626872 804459336 /nfs/dbraw/zinc/45/93/36/804459336.db2.gz VIUCJRHQFSAOPF-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC12CCNCC2 ZINC001246642185 804469320 /nfs/dbraw/zinc/46/93/20/804469320.db2.gz LAZOMRWTFAJDCW-KRWDZBQOSA-N 1 3 272.436 3.226 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC12CCNCC2 ZINC001246642185 804469324 /nfs/dbraw/zinc/46/93/24/804469324.db2.gz LAZOMRWTFAJDCW-KRWDZBQOSA-N 1 3 272.436 3.226 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642540 804470539 /nfs/dbraw/zinc/47/05/39/804470539.db2.gz WSPBHNKEYCZZQA-ZWKOTPCHSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642540 804470544 /nfs/dbraw/zinc/47/05/44/804470544.db2.gz WSPBHNKEYCZZQA-ZWKOTPCHSA-N 1 3 296.499 3.437 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCCC[C@@]23CCCNC3)C[C@@H](C)C1 ZINC001246650137 804476861 /nfs/dbraw/zinc/47/68/61/804476861.db2.gz HFEHAYDRLAYNIG-HZMVEIRTSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCCC[C@@]23CCCNC3)C[C@@H](C)C1 ZINC001246650137 804476863 /nfs/dbraw/zinc/47/68/63/804476863.db2.gz HFEHAYDRLAYNIG-HZMVEIRTSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654529 804480413 /nfs/dbraw/zinc/48/04/13/804480413.db2.gz WKLMQICMZDCVRQ-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654529 804480416 /nfs/dbraw/zinc/48/04/16/804480416.db2.gz WKLMQICMZDCVRQ-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246654529 804480419 /nfs/dbraw/zinc/48/04/19/804480419.db2.gz WKLMQICMZDCVRQ-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658782 804484165 /nfs/dbraw/zinc/48/41/65/804484165.db2.gz AOZUEHCJBNRLAL-FJIDUMEYSA-N 1 3 270.420 3.149 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N(C)CCC[NH3+] ZINC001246680506 804494031 /nfs/dbraw/zinc/49/40/31/804494031.db2.gz JXIFWASAKDJOQI-JTQLQIEISA-N 1 3 290.785 3.220 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+](C)CCCN ZINC001246680506 804494034 /nfs/dbraw/zinc/49/40/34/804494034.db2.gz JXIFWASAKDJOQI-JTQLQIEISA-N 1 3 290.785 3.220 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@@H+](C)CCCN ZINC001246680506 804494038 /nfs/dbraw/zinc/49/40/38/804494038.db2.gz JXIFWASAKDJOQI-JTQLQIEISA-N 1 3 290.785 3.220 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H](CF)[C@@H](C2(N)CC2)C1 ZINC001246689305 804497719 /nfs/dbraw/zinc/49/77/19/804497719.db2.gz IKUVAGMUBTUWQL-VGWMRTNUSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](CF)[C@@H](C2(N)CC2)C1 ZINC001246689305 804497723 /nfs/dbraw/zinc/49/77/23/804497723.db2.gz IKUVAGMUBTUWQL-VGWMRTNUSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246690393 804497834 /nfs/dbraw/zinc/49/78/34/804497834.db2.gz KLEPRGPRGAVYRH-GQGLESIBSA-N 1 3 282.447 3.225 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246690393 804497838 /nfs/dbraw/zinc/49/78/38/804497838.db2.gz KLEPRGPRGAVYRH-GQGLESIBSA-N 1 3 282.447 3.225 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246773590 804504330 /nfs/dbraw/zinc/50/43/30/804504330.db2.gz BEBBTTANSKWWJR-NBMJBFSESA-N 1 3 286.463 3.470 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246773590 804504336 /nfs/dbraw/zinc/50/43/36/804504336.db2.gz BEBBTTANSKWWJR-NBMJBFSESA-N 1 3 286.463 3.470 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCC[C@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246773588 804505263 /nfs/dbraw/zinc/50/52/63/804505263.db2.gz BEBBTTANSKWWJR-JFIYKMOQSA-N 1 3 286.463 3.470 20 0 CGADHO C[C@@H]1CC([N@H+]2CCC[C@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246773588 804505266 /nfs/dbraw/zinc/50/52/66/804505266.db2.gz BEBBTTANSKWWJR-JFIYKMOQSA-N 1 3 286.463 3.470 20 0 CGADHO c1ccc([C@@H]2CC[C@@H](N3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246791560 804515705 /nfs/dbraw/zinc/51/57/05/804515705.db2.gz LJIQGKIFXJLMIR-IAGOWNOFSA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246791560 804515709 /nfs/dbraw/zinc/51/57/09/804515709.db2.gz LJIQGKIFXJLMIR-IAGOWNOFSA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246791560 804515712 /nfs/dbraw/zinc/51/57/12/804515712.db2.gz LJIQGKIFXJLMIR-IAGOWNOFSA-N 1 3 270.420 3.008 20 0 CGADHO CCOc1ccc([C@H]2CCCN2[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822672 804536606 /nfs/dbraw/zinc/53/66/06/804536606.db2.gz MIZQSLDOJJEIQE-YXJHDRRASA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246822672 804536608 /nfs/dbraw/zinc/53/66/08/804536608.db2.gz MIZQSLDOJJEIQE-YXJHDRRASA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246822672 804536610 /nfs/dbraw/zinc/53/66/10/804536610.db2.gz MIZQSLDOJJEIQE-YXJHDRRASA-N 1 3 288.435 3.363 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(Cc2ccc(F)cc2)CC1 ZINC001246825746 804539066 /nfs/dbraw/zinc/53/90/66/804539066.db2.gz IZAVQYVSWHBPPK-AWEZNQCLSA-N 1 3 278.415 3.078 20 0 CGADHO CCc1ccc(C[C@H](C)N(C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246844588 804554820 /nfs/dbraw/zinc/55/48/20/804554820.db2.gz ZJQYUJFPYIZOQI-YJBOKZPZSA-N 1 3 274.452 3.111 20 0 CGADHO C1[C@H]2CCNC[C@H]2C[N@@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848299 804558751 /nfs/dbraw/zinc/55/87/51/804558751.db2.gz UHNIDXUMLPQRTQ-IKGGRYGDSA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@H]2CCNC[C@H]2C[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848299 804558756 /nfs/dbraw/zinc/55/87/56/804558756.db2.gz UHNIDXUMLPQRTQ-IKGGRYGDSA-N 1 3 276.468 3.421 20 0 CGADHO CC(C)[C@@H]1C[C@H](N2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851067 804559613 /nfs/dbraw/zinc/55/96/13/804559613.db2.gz YDOWTOAQIKZTJG-NXHRZFHOSA-N 1 3 290.426 3.392 20 0 CGADHO CC[C@@H]1C[C@@H](N2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849986 804560845 /nfs/dbraw/zinc/56/08/45/804560845.db2.gz SQEJVWCEHIZFQP-OIISXLGYSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849986 804560850 /nfs/dbraw/zinc/56/08/50/804560850.db2.gz SQEJVWCEHIZFQP-OIISXLGYSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849986 804560855 /nfs/dbraw/zinc/56/08/55/804560855.db2.gz SQEJVWCEHIZFQP-OIISXLGYSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2C2CCCCC2)CCN1 ZINC001246861370 804565332 /nfs/dbraw/zinc/56/53/32/804565332.db2.gz JMNLGYSHVZOFMK-BPUTZDHNSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H]2C2CCCCC2)CCN1 ZINC001246861370 804565333 /nfs/dbraw/zinc/56/53/33/804565333.db2.gz JMNLGYSHVZOFMK-BPUTZDHNSA-N 1 3 250.430 3.172 20 0 CGADHO CCCCC[C@@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880746 804576696 /nfs/dbraw/zinc/57/66/96/804576696.db2.gz QSHKPERLUXMDCJ-QRQLOZEOSA-N 1 3 286.463 3.428 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C(C)C)CCN1 ZINC001246885885 804579914 /nfs/dbraw/zinc/57/99/14/804579914.db2.gz GIBGQWOGOTWYNZ-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)C)CCN1 ZINC001246885885 804579917 /nfs/dbraw/zinc/57/99/17/804579917.db2.gz GIBGQWOGOTWYNZ-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)C1(C)CCNCC1 ZINC001246905695 804590181 /nfs/dbraw/zinc/59/01/81/804590181.db2.gz FSBMXUDFTGRJBI-LBPRGKRZSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1(C)CCNCC1 ZINC001246905695 804590187 /nfs/dbraw/zinc/59/01/87/804590187.db2.gz FSBMXUDFTGRJBI-LBPRGKRZSA-N 1 3 298.833 3.484 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH+]1CCCNCCC1 ZINC001246907769 804591815 /nfs/dbraw/zinc/59/18/15/804591815.db2.gz VNYXLZBPPGKCGV-SFHVURJKSA-N 1 3 274.452 3.473 20 0 CGADHO C1C[C@@H]2C[C@@H]([NH+]3CCCCCCCC3)C[C@H](C1)N2 ZINC001246920374 804599890 /nfs/dbraw/zinc/59/98/90/804599890.db2.gz NLZOPBRHIBQISG-MUJYYYPQSA-N 1 3 250.430 3.316 20 0 CGADHO CC[C@@H]1C[C@@H](N(CC)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246922356 804602606 /nfs/dbraw/zinc/60/26/06/804602606.db2.gz KQSIISXEOPRTBI-SJORKVTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922356 804602608 /nfs/dbraw/zinc/60/26/08/804602608.db2.gz KQSIISXEOPRTBI-SJORKVTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922356 804602610 /nfs/dbraw/zinc/60/26/10/804602610.db2.gz KQSIISXEOPRTBI-SJORKVTESA-N 1 3 290.451 3.090 20 0 CGADHO COCC[N@H+](C1CCC2(CCCC2)CC1)[C@@H]1CCCNC1 ZINC001246925923 804603601 /nfs/dbraw/zinc/60/36/01/804603601.db2.gz AXGYOKGKVDWLKH-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO COCC[N@@H+](C1CCC2(CCCC2)CC1)[C@@H]1CCCNC1 ZINC001246925923 804603602 /nfs/dbraw/zinc/60/36/02/804603602.db2.gz AXGYOKGKVDWLKH-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H](CC1CC1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937355 804609234 /nfs/dbraw/zinc/60/92/34/804609234.db2.gz LJOLNIHVSPUSIT-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](CC1CC1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937355 804609236 /nfs/dbraw/zinc/60/92/36/804609236.db2.gz LJOLNIHVSPUSIT-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO CCOCC[N@H+]([C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001246951312 804616861 /nfs/dbraw/zinc/61/68/61/804616861.db2.gz TZWSHYXXQOESIV-INIZCTEOSA-N 1 3 282.472 3.212 20 0 CGADHO CCOCC[N@@H+]([C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001246951312 804616866 /nfs/dbraw/zinc/61/68/66/804616866.db2.gz TZWSHYXXQOESIV-INIZCTEOSA-N 1 3 282.472 3.212 20 0 CGADHO CC[C@H](C)[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966801 804620666 /nfs/dbraw/zinc/62/06/66/804620666.db2.gz ZAJBUSNPFQIACC-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@H](C)[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC001246966801 804620671 /nfs/dbraw/zinc/62/06/71/804620671.db2.gz ZAJBUSNPFQIACC-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@H](C)N(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001246966801 804620675 /nfs/dbraw/zinc/62/06/75/804620675.db2.gz ZAJBUSNPFQIACC-AWEZNQCLSA-N 1 3 278.415 3.487 20 0 CGADHO Cc1cccc(CN(C2CC2)[C@@H]2CCC[NH2+]CC2)c1C ZINC001246967709 804620823 /nfs/dbraw/zinc/62/08/23/804620823.db2.gz NWBLAUXSJSHAIA-QGZVFWFLSA-N 1 3 272.436 3.410 20 0 CGADHO CCCCC(CCCC)[N@H+](CCN(C)C)C1CCNCC1 ZINC001246987086 804628287 /nfs/dbraw/zinc/62/82/87/804628287.db2.gz MHKWZALZYDYLRH-UHFFFAOYSA-N 1 3 297.531 3.351 20 0 CGADHO CCCCC(CCCC)[N@@H+](CCN(C)C)C1CCNCC1 ZINC001246987086 804628288 /nfs/dbraw/zinc/62/82/88/804628288.db2.gz MHKWZALZYDYLRH-UHFFFAOYSA-N 1 3 297.531 3.351 20 0 CGADHO CC[C@H]1C[C@H](N2CCC3(Cc4ccccc4N3)CC2)CC[NH2+]1 ZINC001247005387 804637600 /nfs/dbraw/zinc/63/76/00/804637600.db2.gz YHJYLLIBLYYZSA-DLBZAZTESA-N 1 3 299.462 3.020 20 0 CGADHO Cc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(F)c1F ZINC001143610487 804876041 /nfs/dbraw/zinc/87/60/41/804876041.db2.gz ZKDHHLSXNSWDIP-UHFFFAOYSA-N 1 3 294.389 3.191 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144251895 804961728 /nfs/dbraw/zinc/96/17/28/804961728.db2.gz JNBXNAJAFJLXIT-UHFFFAOYSA-N 1 3 295.430 3.005 20 0 CGADHO NCc1cc2ccncc2n1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908608 807008103 /nfs/dbraw/zinc/00/81/03/807008103.db2.gz PJHCMPAIBTVBMU-INIZCTEOSA-N 1 3 298.434 3.075 20 0 CGADHO NCc1cc2ccncc2n1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908608 807008108 /nfs/dbraw/zinc/00/81/08/807008108.db2.gz PJHCMPAIBTVBMU-INIZCTEOSA-N 1 3 298.434 3.075 20 0 CGADHO CCC[C@@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001257325532 807109167 /nfs/dbraw/zinc/10/91/67/807109167.db2.gz KLPLVORNRJLCOG-CYBMUJFWSA-N 1 3 256.409 3.073 20 0 CGADHO CC1([NH+]2CCCC2)CCN(C2CCCCC2)CC1 ZINC001257461156 807168118 /nfs/dbraw/zinc/16/81/18/807168118.db2.gz KQSBUIWQJSNNTP-UHFFFAOYSA-N 1 3 250.430 3.269 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001258010708 807265285 /nfs/dbraw/zinc/26/52/85/807265285.db2.gz DBWHNHVOZQHLCW-SFHVURJKSA-N 1 3 287.451 3.339 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001258010708 807265290 /nfs/dbraw/zinc/26/52/90/807265290.db2.gz DBWHNHVOZQHLCW-SFHVURJKSA-N 1 3 287.451 3.339 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH+]1CCCCCC1)C2 ZINC001167983847 807290010 /nfs/dbraw/zinc/29/00/10/807290010.db2.gz JSFUMBAEWVLVAC-SJPCQFCGSA-N 1 3 262.441 3.268 20 0 CGADHO CC[C@@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167989159 807293465 /nfs/dbraw/zinc/29/34/65/807293465.db2.gz YBLQLMZNUXAFET-SLHHOWHOSA-N 1 3 250.430 3.122 20 0 CGADHO CC[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167989159 807293470 /nfs/dbraw/zinc/29/34/70/807293470.db2.gz YBLQLMZNUXAFET-SLHHOWHOSA-N 1 3 250.430 3.122 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142423 807322280 /nfs/dbraw/zinc/32/22/80/807322280.db2.gz CRAPJCDNYRVAGM-QAPCUYQASA-N 1 3 294.483 3.283 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142423 807322289 /nfs/dbraw/zinc/32/22/89/807322289.db2.gz CRAPJCDNYRVAGM-QAPCUYQASA-N 1 3 294.483 3.283 20 0 CGADHO C[C@@H](Cc1ccco1)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258184283 807350167 /nfs/dbraw/zinc/35/01/67/807350167.db2.gz XUXGSTAZFQRLAG-HNNXBMFYSA-N 1 3 284.403 3.161 20 0 CGADHO CCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168353002 807390314 /nfs/dbraw/zinc/39/03/14/807390314.db2.gz GKSASVSWUGLLNO-UHFFFAOYSA-N 1 3 272.436 3.213 20 0 CGADHO Fc1ccc([C@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168360341 807392829 /nfs/dbraw/zinc/39/28/29/807392829.db2.gz OKUGNOMVLWIEFR-MSOLQXFVSA-N 1 3 288.410 3.146 20 0 CGADHO C[C@H](CC1CC1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258454673 807460791 /nfs/dbraw/zinc/46/07/91/807460791.db2.gz NXQCEOADNGGLDA-OAHLLOKOSA-N 1 3 287.451 3.072 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001169078792 807567114 /nfs/dbraw/zinc/56/71/14/807567114.db2.gz GURSNRFCZPMMNM-OSYLJGHBSA-N 1 3 258.409 3.018 20 0 CGADHO Cc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096890 807573904 /nfs/dbraw/zinc/57/39/04/807573904.db2.gz ZKLXWPSXODLYQK-MUJYYYPQSA-N 1 3 278.827 3.363 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC001169107609 807579432 /nfs/dbraw/zinc/57/94/32/807579432.db2.gz IGJDLVUFFUPHSY-XLMAVXFVSA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC001169107609 807579435 /nfs/dbraw/zinc/57/94/35/807579435.db2.gz IGJDLVUFFUPHSY-XLMAVXFVSA-N 1 3 288.435 3.361 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001169230101 807610112 /nfs/dbraw/zinc/61/01/12/807610112.db2.gz PXGQVQXUMNDPRV-MRXNPFEDSA-N 1 3 278.827 3.401 20 0 CGADHO CC[NH+]1CCC(N[C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001169240461 807613221 /nfs/dbraw/zinc/61/32/21/807613221.db2.gz IXUCRNHFENAHDY-QGZVFWFLSA-N 1 3 276.399 3.351 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCC(=O)c1cccc(F)c1 ZINC001258905756 807671426 /nfs/dbraw/zinc/67/14/26/807671426.db2.gz WRPZFEXRCBDIJF-AWEZNQCLSA-N 1 3 294.414 3.109 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170071012 807746763 /nfs/dbraw/zinc/74/67/63/807746763.db2.gz ILAZXRXFJRSOLC-KZNAEPCWSA-N 1 3 296.499 3.434 20 0 CGADHO COc1cccc(C2([NH3+])CCN([C@H]3CC[C@H](C)C3)CC2)c1 ZINC001170124590 807768492 /nfs/dbraw/zinc/76/84/92/807768492.db2.gz YBPZSJQXQLACGK-HOCLYGCPSA-N 1 3 288.435 3.134 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccccc1Cl ZINC001170250644 807805041 /nfs/dbraw/zinc/80/50/41/807805041.db2.gz QIGZOLJFRXORTR-ZDUSSCGKSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccccc1Cl ZINC001170250644 807805050 /nfs/dbraw/zinc/80/50/50/807805050.db2.gz QIGZOLJFRXORTR-ZDUSSCGKSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)N(CCC[NH3+])[C@@H](C)Cc1ccccc1Cl ZINC001170250644 807805059 /nfs/dbraw/zinc/80/50/59/807805059.db2.gz QIGZOLJFRXORTR-ZDUSSCGKSA-N 1 3 268.832 3.330 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001170274339 807810918 /nfs/dbraw/zinc/81/09/18/807810918.db2.gz BQEGGAIDOAEPIK-IMJJTQAJSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001170274339 807810926 /nfs/dbraw/zinc/81/09/26/807810926.db2.gz BQEGGAIDOAEPIK-IMJJTQAJSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170716492 807883885 /nfs/dbraw/zinc/88/38/85/807883885.db2.gz UWQLHMNOWFBGGC-OVYGPGRDSA-N 1 3 278.484 3.379 20 0 CGADHO CC1(C)[C@@H]2C[C@@H](N3CCC(C)([NH+]4CCCC4)CC3)C[C@@H]21 ZINC001170764604 807901054 /nfs/dbraw/zinc/90/10/54/807901054.db2.gz KFRCXQLXSQOBNN-PHZGNYQRSA-N 1 3 276.468 3.371 20 0 CGADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCCOCC1 ZINC001170838657 807922110 /nfs/dbraw/zinc/92/21/10/807922110.db2.gz AUWPTQFMMYGAEK-INIZCTEOSA-N 1 3 294.483 3.284 20 0 CGADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCCOCC1 ZINC001170838657 807922113 /nfs/dbraw/zinc/92/21/13/807922113.db2.gz AUWPTQFMMYGAEK-INIZCTEOSA-N 1 3 294.483 3.284 20 0 CGADHO CN(C)C1CC[NH+]([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171116231 807989047 /nfs/dbraw/zinc/98/90/47/807989047.db2.gz LOZYZXLQSUYIML-QGZVFWFLSA-N 1 3 292.854 3.223 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC001172098496 808170764 /nfs/dbraw/zinc/17/07/64/808170764.db2.gz ACWZBGMDMGRZKL-ZSOGYDGISA-N 1 3 280.362 3.070 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccnc3ccccc13)C2 ZINC001172099348 808171413 /nfs/dbraw/zinc/17/14/13/808171413.db2.gz JMMCCDYTWWAYAM-BJWYYQGGSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccnc3ccccc13)C2 ZINC001172099348 808171416 /nfs/dbraw/zinc/17/14/16/808171416.db2.gz JMMCCDYTWWAYAM-BJWYYQGGSA-N 1 3 295.430 3.340 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172100238 808172191 /nfs/dbraw/zinc/17/21/91/808172191.db2.gz BWQZHLVHRYGUDL-DZUCGIPZSA-N 1 3 258.409 3.353 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100238 808172193 /nfs/dbraw/zinc/17/21/93/808172193.db2.gz BWQZHLVHRYGUDL-DZUCGIPZSA-N 1 3 258.409 3.353 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1cccnc1)C1CC1)C2 ZINC001172119290 808183380 /nfs/dbraw/zinc/18/33/80/808183380.db2.gz YBFOOYKNNMYQEP-XMTFNYHQSA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1cccnc1)C1CC1)C2 ZINC001172119290 808183382 /nfs/dbraw/zinc/18/33/82/808183382.db2.gz YBFOOYKNNMYQEP-XMTFNYHQSA-N 1 3 285.435 3.138 20 0 CGADHO c1ccc2c(c1)C[C@H](NCCC[NH+]1CCCCC1)CS2 ZINC001172187158 808191285 /nfs/dbraw/zinc/19/12/85/808191285.db2.gz JDSRXXJXWOVPPS-INIZCTEOSA-N 1 3 290.476 3.169 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404897 808293305 /nfs/dbraw/zinc/29/33/05/808293305.db2.gz NRUDJOIYZNRWAV-OWCLPIDISA-N 1 3 252.446 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](CC)CC(C)C)C[C@@H]2C1 ZINC001172404897 808293311 /nfs/dbraw/zinc/29/33/11/808293311.db2.gz NRUDJOIYZNRWAV-OWCLPIDISA-N 1 3 252.446 3.085 20 0 CGADHO CCOCC[C@@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172408376 808296389 /nfs/dbraw/zinc/29/63/89/808296389.db2.gz IBXLRUYWLGCDMY-NVXWUHKLSA-N 1 3 278.440 3.084 20 0 CGADHO CC(C)COCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172462262 808332242 /nfs/dbraw/zinc/33/22/42/808332242.db2.gz NYQPOKDVCWQZES-IRXDYDNUSA-N 1 3 284.488 3.292 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3cc(F)cc(Cl)c3)C[C@H]2CC1 ZINC001275290383 808927078 /nfs/dbraw/zinc/92/70/78/808927078.db2.gz IWYPDKVNEYSPIH-OKILXGFUSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)cc(Cl)c3)C[C@H]2CC1 ZINC001275290383 808927086 /nfs/dbraw/zinc/92/70/86/808927086.db2.gz IWYPDKVNEYSPIH-OKILXGFUSA-N 1 3 296.817 3.253 20 0 CGADHO CCc1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)o1 ZINC001276147883 808990220 /nfs/dbraw/zinc/99/02/20/808990220.db2.gz AESJDDHVYFFIDY-UHFFFAOYSA-N 1 3 276.424 3.150 20 0 CGADHO CCc1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)o1 ZINC001276147883 808990226 /nfs/dbraw/zinc/99/02/26/808990226.db2.gz AESJDDHVYFFIDY-UHFFFAOYSA-N 1 3 276.424 3.150 20 0 CGADHO CCSc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001179815167 809947380 /nfs/dbraw/zinc/94/73/80/809947380.db2.gz DZNYSYABVBVZKI-USXIJHARSA-N 1 3 290.476 3.228 20 0 CGADHO C[N@H+](CC1CCOCC1)C1CCN(C2CCCCC2)CC1 ZINC001202609918 812135068 /nfs/dbraw/zinc/13/50/68/812135068.db2.gz SNZTUGFWSHCIDM-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@@H+](CC1CCOCC1)C1CCN(C2CCCCC2)CC1 ZINC001202609918 812135074 /nfs/dbraw/zinc/13/50/74/812135074.db2.gz SNZTUGFWSHCIDM-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cccc3ccccc31)C2 ZINC001203988365 812510330 /nfs/dbraw/zinc/51/03/30/812510330.db2.gz HPNUVSIHZFZIPY-IEBWSBKVSA-N 1 3 280.415 3.223 20 0 CGADHO COC(=O)CCCCCCCCC[N@@H+]1CCC[C@@](C)(N)C1 ZINC001204938492 812786742 /nfs/dbraw/zinc/78/67/42/812786742.db2.gz MBVTYFHZNWFSTG-QGZVFWFLSA-N 1 3 298.471 3.093 20 0 CGADHO COC(=O)CCCCCCCCC[N@H+]1CCC[C@@](C)(N)C1 ZINC001204938492 812786748 /nfs/dbraw/zinc/78/67/48/812786748.db2.gz MBVTYFHZNWFSTG-QGZVFWFLSA-N 1 3 298.471 3.093 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001205041642 812836301 /nfs/dbraw/zinc/83/63/01/812836301.db2.gz ZCBVLOVFWNEKCP-UHFFFAOYSA-N 1 3 297.402 3.045 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205058614 812841130 /nfs/dbraw/zinc/84/11/30/812841130.db2.gz OZLALYWXKDFNCD-YOENINGUSA-N 1 3 278.827 3.255 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001205116918 812874670 /nfs/dbraw/zinc/87/46/70/812874670.db2.gz JCAZZOOOQJKVCU-CQSZACIVSA-N 1 3 289.810 3.201 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2cccc3sccc32)CC1 ZINC001205123961 812876687 /nfs/dbraw/zinc/87/66/87/812876687.db2.gz HUMITAYJXPJOCH-CYBMUJFWSA-N 1 3 260.406 3.215 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130898 812880072 /nfs/dbraw/zinc/88/00/72/812880072.db2.gz OGTYDFRBUWPFJR-HRCADAONSA-N 1 3 284.488 3.135 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130898 812880079 /nfs/dbraw/zinc/88/00/79/812880079.db2.gz OGTYDFRBUWPFJR-HRCADAONSA-N 1 3 284.488 3.135 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2ccc(F)c3ccoc32)CC1 ZINC001205289627 812932890 /nfs/dbraw/zinc/93/28/90/812932890.db2.gz ZZULLWXPIGAZMT-INIZCTEOSA-N 1 3 276.355 3.275 20 0 CGADHO C[C@H]1CCN(CCCc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC001205295741 812936434 /nfs/dbraw/zinc/93/64/34/812936434.db2.gz BJVPNCCBUSAVFM-DZGCQCFKSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CC[N@H+](CCCc2cccc(Cl)c2)C[C@H]1CN ZINC001205295741 812936436 /nfs/dbraw/zinc/93/64/36/812936436.db2.gz BJVPNCCBUSAVFM-DZGCQCFKSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@H]1CN ZINC001205295741 812936440 /nfs/dbraw/zinc/93/64/40/812936440.db2.gz BJVPNCCBUSAVFM-DZGCQCFKSA-N 1 3 280.843 3.189 20 0 CGADHO COc1cc(C)c(CN2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1C ZINC001205305009 812944037 /nfs/dbraw/zinc/94/40/37/812944037.db2.gz QMWBQQJKSDFAQB-BLLLJJGKSA-N 1 3 290.451 3.037 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863205 813112474 /nfs/dbraw/zinc/11/24/74/813112474.db2.gz JIBJLVKADOHOOB-CUBALJKWSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863205 813112479 /nfs/dbraw/zinc/11/24/79/813112479.db2.gz JIBJLVKADOHOOB-CUBALJKWSA-N 1 3 278.827 3.113 20 0 CGADHO CCCOc1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205904897 813128425 /nfs/dbraw/zinc/12/84/25/813128425.db2.gz YBVWWFFIKCIJKM-GDBMZVCRSA-N 1 3 276.424 3.035 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@@H](C[NH3+])[C@H]3C)ccc2n1 ZINC001205912931 813129637 /nfs/dbraw/zinc/12/96/37/813129637.db2.gz DYAZYWCHXWMMJZ-PBHICJAKSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@@H]2C)ccc1OC(C)C ZINC001205915807 813131519 /nfs/dbraw/zinc/13/15/19/813131519.db2.gz QPYDGPKZWOJQTG-DOTOQJQBSA-N 1 3 290.451 3.341 20 0 CGADHO N[C@H]1CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922784 813134069 /nfs/dbraw/zinc/13/40/69/813134069.db2.gz ALZARNKHVGJLQJ-HNNXBMFYSA-N 1 3 266.816 3.086 20 0 CGADHO N[C@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922784 813134073 /nfs/dbraw/zinc/13/40/73/813134073.db2.gz ALZARNKHVGJLQJ-HNNXBMFYSA-N 1 3 266.816 3.086 20 0 CGADHO COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1C(C)C ZINC001206172543 813224873 /nfs/dbraw/zinc/22/48/73/813224873.db2.gz APADWKBOLRCBJZ-CVEARBPZSA-N 1 3 294.414 3.080 20 0 CGADHO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1C(C)C ZINC001206172543 813224879 /nfs/dbraw/zinc/22/48/79/813224879.db2.gz APADWKBOLRCBJZ-CVEARBPZSA-N 1 3 294.414 3.080 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206184607 813230260 /nfs/dbraw/zinc/23/02/60/813230260.db2.gz JBLYVKKWLKHMGM-HOTGVXAUSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206184607 813230261 /nfs/dbraw/zinc/23/02/61/813230261.db2.gz JBLYVKKWLKHMGM-HOTGVXAUSA-N 1 3 294.414 3.125 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1OC(C)C ZINC001206183722 813231080 /nfs/dbraw/zinc/23/10/80/813231080.db2.gz HADFOTBWPFDDPS-HOTGVXAUSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1OC(C)C ZINC001206183722 813231086 /nfs/dbraw/zinc/23/10/86/813231086.db2.gz HADFOTBWPFDDPS-HOTGVXAUSA-N 1 3 294.414 3.043 20 0 CGADHO NC[C@]1(F)CCCC[N@H+](Cc2cccc3occc32)C1 ZINC001206370675 813305939 /nfs/dbraw/zinc/30/59/39/813305939.db2.gz OSLLHTROGHROJX-MRXNPFEDSA-N 1 3 276.355 3.086 20 0 CGADHO NC[C@]1(F)CCCC[N@@H+](Cc2cccc3occc32)C1 ZINC001206370675 813305945 /nfs/dbraw/zinc/30/59/45/813305945.db2.gz OSLLHTROGHROJX-MRXNPFEDSA-N 1 3 276.355 3.086 20 0 CGADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(-c3ccccc3)nc2)C1 ZINC001206624843 813379095 /nfs/dbraw/zinc/37/90/95/813379095.db2.gz YWYMICDYDALCLO-MRXNPFEDSA-N 1 3 295.430 3.309 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H](CN)CC[C@H]2C)CC1 ZINC001206760711 813426095 /nfs/dbraw/zinc/42/60/95/813426095.db2.gz KLPCVBWMXUACEU-FZKCQIBNSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H](CN)CC[C@H]2C)CC1 ZINC001206760711 813426100 /nfs/dbraw/zinc/42/61/00/813426100.db2.gz KLPCVBWMXUACEU-FZKCQIBNSA-N 1 3 250.430 3.038 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC001206771037 813432269 /nfs/dbraw/zinc/43/22/69/813432269.db2.gz VTARVSHIAUQQDK-STQMWFEESA-N 1 3 274.433 3.461 20 0 CGADHO CCCc1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)s1 ZINC001207723214 813639873 /nfs/dbraw/zinc/63/98/73/813639873.db2.gz DJYHGQLGQOFJFZ-CQSZACIVSA-N 1 3 278.465 3.132 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@@H]2CN3CCC2CC3)s1 ZINC001207723214 813639876 /nfs/dbraw/zinc/63/98/76/813639876.db2.gz DJYHGQLGQOFJFZ-CQSZACIVSA-N 1 3 278.465 3.132 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001207837387 813658716 /nfs/dbraw/zinc/65/87/16/813658716.db2.gz PLSBYZWGOMDHNU-MWQQHZPXSA-N 1 3 264.457 3.275 20 0 CGADHO CN(CCc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208608390 813775717 /nfs/dbraw/zinc/77/57/17/813775717.db2.gz ILDPWTKYDUOSIZ-OAHLLOKOSA-N 1 3 280.843 3.156 20 0 CGADHO CN(CCc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608390 813775721 /nfs/dbraw/zinc/77/57/21/813775721.db2.gz ILDPWTKYDUOSIZ-OAHLLOKOSA-N 1 3 280.843 3.156 20 0 CGADHO CC/C=C\CCN1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001208726346 813814622 /nfs/dbraw/zinc/81/46/22/813814622.db2.gz UNGREHRJYXWMRW-XFHJGTJQSA-N 1 3 294.483 3.166 20 0 CGADHO CC/C=C\CCN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001208726346 813814632 /nfs/dbraw/zinc/81/46/32/813814632.db2.gz UNGREHRJYXWMRW-XFHJGTJQSA-N 1 3 294.483 3.166 20 0 CGADHO C[NH2+]Cc1ccc(Nc2ccnc(C3CC3)c2)cc1 ZINC001211130381 814756258 /nfs/dbraw/zinc/75/62/58/814756258.db2.gz NULJJLBSBBFRCR-UHFFFAOYSA-N 1 3 253.349 3.422 20 0 CGADHO C[NH2+]Cc1cccc(Nc2ccccc2CN(C)C)c1 ZINC001211139763 814837349 /nfs/dbraw/zinc/83/73/49/814837349.db2.gz UCQMLOAEOIQNHD-UHFFFAOYSA-N 1 3 269.392 3.211 20 0 CGADHO CN(C)Cc1c(O[C@@H]2CCC23C[NH2+]C3)ccc2ccccc21 ZINC001218238548 816135480 /nfs/dbraw/zinc/13/54/80/816135480.db2.gz BHWMUVRBOOXVOH-GOSISDBHSA-N 1 3 296.414 3.032 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2ccccc2c1CN(C)C ZINC001218415426 816204376 /nfs/dbraw/zinc/20/43/76/816204376.db2.gz OMQXFMBJQPGCEY-KDOFPFPSSA-N 1 3 298.430 3.278 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142204 816357617 /nfs/dbraw/zinc/35/76/17/816357617.db2.gz WSMMHRZWHUGQNY-SJORKVTESA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142204 816357622 /nfs/dbraw/zinc/35/76/22/816357622.db2.gz WSMMHRZWHUGQNY-SJORKVTESA-N 1 3 264.457 3.444 20 0 CGADHO c1ccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161078 816366296 /nfs/dbraw/zinc/36/62/96/816366296.db2.gz KQBFBTNYMONLNJ-GOSISDBHSA-N 1 3 272.436 3.432 20 0 CGADHO CCOc1ccccc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222309678 816405023 /nfs/dbraw/zinc/40/50/23/816405023.db2.gz PIVMFXZUXZZOFT-SFHVURJKSA-N 1 3 288.435 3.193 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001222538051 816464226 /nfs/dbraw/zinc/46/42/26/816464226.db2.gz KSPDTLORGIMIKL-UHFFFAOYSA-N 1 3 299.393 3.011 20 0 CGADHO Cc1ccsc1C[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595723 816474182 /nfs/dbraw/zinc/47/41/82/816474182.db2.gz HRUQXAHCWULMCP-INIZCTEOSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1ccsc1C[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595723 816474187 /nfs/dbraw/zinc/47/41/87/816474187.db2.gz HRUQXAHCWULMCP-INIZCTEOSA-N 1 3 298.455 3.246 20 0 CGADHO COc1ccccc1CC[N@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232014592 818233742 /nfs/dbraw/zinc/23/37/42/818233742.db2.gz RQMUYSJUYOVZOC-UHFFFAOYSA-N 1 3 295.386 3.246 20 0 CGADHO COc1ccccc1CC[N@@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232014592 818233745 /nfs/dbraw/zinc/23/37/45/818233745.db2.gz RQMUYSJUYOVZOC-UHFFFAOYSA-N 1 3 295.386 3.246 20 0 CGADHO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001232013457 818234144 /nfs/dbraw/zinc/23/41/44/818234144.db2.gz OYEZIZZPAIIJSJ-QAPCUYQASA-N 1 3 299.418 3.202 20 0 CGADHO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3cnccc3[nH]1)C2 ZINC001232013457 818234151 /nfs/dbraw/zinc/23/41/51/818234151.db2.gz OYEZIZZPAIIJSJ-QAPCUYQASA-N 1 3 299.418 3.202 20 0 CGADHO C[N@H+](CCC=Cc1cccnc1)Cc1cc2cnccc2[nH]1 ZINC001232017417 818235574 /nfs/dbraw/zinc/23/55/74/818235574.db2.gz RIOJVUWMEUXLLH-GORDUTHDSA-N 1 3 292.386 3.493 20 0 CGADHO C[N@@H+](CCC=Cc1cccnc1)Cc1cc2cnccc2[nH]1 ZINC001232017417 818235578 /nfs/dbraw/zinc/23/55/78/818235578.db2.gz RIOJVUWMEUXLLH-GORDUTHDSA-N 1 3 292.386 3.493 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cccc3c2CCCC3)CC1 ZINC001232639320 818408617 /nfs/dbraw/zinc/40/86/17/818408617.db2.gz ZHOJPDGFQGVFLY-UHFFFAOYSA-N 1 3 286.463 3.482 20 0 CGADHO c1ccc(C2(CN3CCC[C@]4(CCC[NH2+]4)CC3)CC2)cc1 ZINC001235037016 818986494 /nfs/dbraw/zinc/98/64/94/818986494.db2.gz BCDZFPPRAZCMIJ-LJQANCHMSA-N 1 3 284.447 3.326 20 0 CGADHO COc1ccc(CN2CCCCC23CC[NH2+]CC3)c(C)c1 ZINC001235189364 819030815 /nfs/dbraw/zinc/03/08/15/819030815.db2.gz JIVXLXMGBVKGAR-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO COc1ccc(C[N@@H+]2CCCCC23CCNCC3)c(C)c1 ZINC001235189364 819030822 /nfs/dbraw/zinc/03/08/22/819030822.db2.gz JIVXLXMGBVKGAR-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO COc1ccc(C[N@H+]2CCCCC23CCNCC3)c(C)c1 ZINC001235189364 819030826 /nfs/dbraw/zinc/03/08/26/819030826.db2.gz JIVXLXMGBVKGAR-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO Cc1cc(C)c(CN2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1 ZINC001235406824 819087983 /nfs/dbraw/zinc/08/79/83/819087983.db2.gz RBEQMXHNWXKJSS-QZTJIDSGSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)c(C)c1 ZINC001235406824 819087988 /nfs/dbraw/zinc/08/79/88/819087988.db2.gz RBEQMXHNWXKJSS-QZTJIDSGSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)c(C)c1 ZINC001235406824 819087994 /nfs/dbraw/zinc/08/79/94/819087994.db2.gz RBEQMXHNWXKJSS-QZTJIDSGSA-N 1 3 290.426 3.135 20 0 CGADHO c1cc(-c2ccccc2)sc1CN1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939873 819234506 /nfs/dbraw/zinc/23/45/06/819234506.db2.gz QTRDCJIMVLWYIE-HZPDHXFCSA-N 1 3 298.455 3.456 20 0 CGADHO COc1cccc(CCCN(C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC001236041840 819280979 /nfs/dbraw/zinc/28/09/79/819280979.db2.gz MEHNVYXRQUMLCT-KRWDZBQOSA-N 1 3 290.451 3.092 20 0 CGADHO CCCN(Cc1cc(C)c(F)c(C)c1)C1CC[NH2+]CC1 ZINC001236182446 819359610 /nfs/dbraw/zinc/35/96/10/819359610.db2.gz PBPCNSMDIDHGPQ-UHFFFAOYSA-N 1 3 278.415 3.407 20 0 CGADHO CCC[N@H+](Cc1cc(C)c(F)c(C)c1)C1CCNCC1 ZINC001236182446 819359615 /nfs/dbraw/zinc/35/96/15/819359615.db2.gz PBPCNSMDIDHGPQ-UHFFFAOYSA-N 1 3 278.415 3.407 20 0 CGADHO CCC[N@@H+](Cc1cc(C)c(F)c(C)c1)C1CCNCC1 ZINC001236182446 819359621 /nfs/dbraw/zinc/35/96/21/819359621.db2.gz PBPCNSMDIDHGPQ-UHFFFAOYSA-N 1 3 278.415 3.407 20 0 CGADHO C[NH2+]C1CCC(N(C)Cc2cc(OC)ccc2Cl)CC1 ZINC001236212653 819374611 /nfs/dbraw/zinc/37/46/11/819374611.db2.gz KQTXNPHRKGJYEG-UHFFFAOYSA-N 1 3 296.842 3.311 20 0 CGADHO C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@H]1N ZINC001236213745 819377016 /nfs/dbraw/zinc/37/70/16/819377016.db2.gz BFXLWBXRQMMMPV-MSOLQXFVSA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@H]1N ZINC001236213745 819377021 /nfs/dbraw/zinc/37/70/21/819377021.db2.gz BFXLWBXRQMMMPV-MSOLQXFVSA-N 1 3 284.403 3.247 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2N)c(C)c1 ZINC001236216865 819382828 /nfs/dbraw/zinc/38/28/28/819382828.db2.gz LMCLKAYXMGXOJL-IRXDYDNUSA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)c(C)c1 ZINC001236216865 819382833 /nfs/dbraw/zinc/38/28/33/819382833.db2.gz LMCLKAYXMGXOJL-IRXDYDNUSA-N 1 3 276.424 3.014 20 0 CGADHO C(C1CCC1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236369535 819439281 /nfs/dbraw/zinc/43/92/81/819439281.db2.gz ACUOJARNRATHEI-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCC1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236369535 819439283 /nfs/dbraw/zinc/43/92/83/819439283.db2.gz ACUOJARNRATHEI-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(C)C[N@H+](Cc1ccc(N)c(F)c1)C1CCNCC1 ZINC001236459513 819486655 /nfs/dbraw/zinc/48/66/55/819486655.db2.gz RVWYERYVIYVIDI-UHFFFAOYSA-N 1 3 293.430 3.008 20 0 CGADHO CC(C)(C)C[N@@H+](Cc1ccc(N)c(F)c1)C1CCNCC1 ZINC001236459513 819486661 /nfs/dbraw/zinc/48/66/61/819486661.db2.gz RVWYERYVIYVIDI-UHFFFAOYSA-N 1 3 293.430 3.008 20 0 CGADHO CC(C)(C)CN(Cc1ccc(N)c(F)c1)C1CC[NH2+]CC1 ZINC001236459513 819486663 /nfs/dbraw/zinc/48/66/63/819486663.db2.gz RVWYERYVIYVIDI-UHFFFAOYSA-N 1 3 293.430 3.008 20 0 CGADHO Cc1cccc(CCN(C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584542 819545763 /nfs/dbraw/zinc/54/57/63/819545763.db2.gz KXQKQWDQAYHGLY-KRWDZBQOSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1cccc2c(CN(C[C@H]3CCC[NH2+]C3)C3CC3)c[nH]c21 ZINC001236598497 819548197 /nfs/dbraw/zinc/54/81/97/819548197.db2.gz KCXZGNVFPYUEIN-HNNXBMFYSA-N 1 3 297.446 3.440 20 0 CGADHO CCCCOc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001236820301 819607546 /nfs/dbraw/zinc/60/75/46/819607546.db2.gz PVVAVMPBAQZIFV-RYQLBKOJSA-N 1 3 288.435 3.035 20 0 CGADHO CCCN(Cc1ccc2cc(O)ccc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236835378 819614401 /nfs/dbraw/zinc/61/44/01/819614401.db2.gz MKFWTUYMCYXUPU-MRXNPFEDSA-N 1 3 298.430 3.367 20 0 CGADHO CCCN(Cc1ccc(CC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835722 819614709 /nfs/dbraw/zinc/61/47/09/819614709.db2.gz POLXRMLFDUKGAF-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO CCCN(Cc1cc(Cl)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236842962 819618102 /nfs/dbraw/zinc/61/81/02/819618102.db2.gz IKYNASIMNFESEL-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO CCCN(Cc1cccc(CC)c1)C[C@H]1CC[NH2+]C1 ZINC001236843853 819619256 /nfs/dbraw/zinc/61/92/56/819619256.db2.gz RQXYKVJGAGZUNA-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO Fc1cccc(CN2CCC(CC3CC[NH2+]CC3)CC2)c1 ZINC001236948009 819638088 /nfs/dbraw/zinc/63/80/88/819638088.db2.gz OCULTFRORXRUKF-UHFFFAOYSA-N 1 3 290.426 3.427 20 0 CGADHO Cc1ccc(CN2CCC(CC3CC[NH2+]CC3)CC2)o1 ZINC001236946423 819638382 /nfs/dbraw/zinc/63/83/82/819638382.db2.gz AUPOKOIRMLUZQG-UHFFFAOYSA-N 1 3 276.424 3.190 20 0 CGADHO Cc1c(Cl)cccc1C[N@@H+](C)CCCN(C)C ZINC001237732526 819823650 /nfs/dbraw/zinc/82/36/50/819823650.db2.gz WRJFYNBJNFRJQA-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO Cc1c(Cl)cccc1C[N@H+](C)CCCN(C)C ZINC001237732526 819823657 /nfs/dbraw/zinc/82/36/57/819823657.db2.gz WRJFYNBJNFRJQA-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO CN(C)Cc1ccnc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001242119010 822884798 /nfs/dbraw/zinc/88/47/98/822884798.db2.gz KWAJDLCUNPVXCT-UHFFFAOYSA-N 1 3 295.430 3.406 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC001340517712 936407159 /nfs/dbraw/zinc/40/71/59/936407159.db2.gz VLGWJDSNMNXONC-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc(F)ccc3F)C[C@H]2C1 ZINC001343332426 936495589 /nfs/dbraw/zinc/49/55/89/936495589.db2.gz DHRXBKUKOAGWNZ-WOSRLPQWSA-N 1 3 294.389 3.127 20 0 CGADHO Cc1c[nH+]c2ccccc2c1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001343882364 936516474 /nfs/dbraw/zinc/51/64/74/936516474.db2.gz PMIXVQWPSYRLES-OKILXGFUSA-N 1 3 269.392 3.072 20 0 CGADHO CC[N@H+](CCCN1CCCC1)CCc1ccc(F)cc1F ZINC001347236094 936875262 /nfs/dbraw/zinc/87/52/62/936875262.db2.gz WFRVWWIJROTNIG-UHFFFAOYSA-N 1 3 296.405 3.315 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)CCc1ccc(F)cc1F ZINC001347236094 936875265 /nfs/dbraw/zinc/87/52/65/936875265.db2.gz WFRVWWIJROTNIG-UHFFFAOYSA-N 1 3 296.405 3.315 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC001349911894 936968573 /nfs/dbraw/zinc/96/85/73/936968573.db2.gz SCJKGLKRQDNKMB-UKRRQHHQSA-N 1 3 288.439 3.052 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC001348851657 926761372 /nfs/dbraw/zinc/76/13/72/926761372.db2.gz FJWZFSMLDMBWMQ-VNQPRFMTSA-N 1 3 260.425 3.156 20 0 CGADHO CCCC[N@H+](CCCOC)C1CC(C)(C)NC(C)(C)C1 ZINC001460549582 937534598 /nfs/dbraw/zinc/53/45/98/937534598.db2.gz XJHLMXMSZARWNZ-UHFFFAOYSA-N 1 3 284.488 3.434 20 0 CGADHO CCCC[N@@H+](CCCOC)C1CC(C)(C)NC(C)(C)C1 ZINC001460549582 937534601 /nfs/dbraw/zinc/53/46/01/937534601.db2.gz XJHLMXMSZARWNZ-UHFFFAOYSA-N 1 3 284.488 3.434 20 0 CGADHO COc1ccc(C[N@H+](C)CCCN(C)C)cc1C(C)(C)C ZINC001462211629 937625476 /nfs/dbraw/zinc/62/54/76/937625476.db2.gz SIDAGOZSUSAOCI-UHFFFAOYSA-N 1 3 292.467 3.376 20 0 CGADHO COc1ccc(C[N@@H+](C)CCCN(C)C)cc1C(C)(C)C ZINC001462211629 937625477 /nfs/dbraw/zinc/62/54/77/937625477.db2.gz SIDAGOZSUSAOCI-UHFFFAOYSA-N 1 3 292.467 3.376 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CC[C@H](C)N(C)C ZINC001462464388 937643027 /nfs/dbraw/zinc/64/30/27/937643027.db2.gz CGXZNFICOIFSLH-KBPBESRZSA-N 1 3 274.408 3.294 20 0 CGADHO CCC[C@H](C)CCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC001307515314 932964785 /nfs/dbraw/zinc/96/47/85/932964785.db2.gz ZYOLMFZIFQIDPI-HOTGVXAUSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@H](C)CCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC001307515314 932964787 /nfs/dbraw/zinc/96/47/87/932964787.db2.gz ZYOLMFZIFQIDPI-HOTGVXAUSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@H](C)CCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC001307515314 932964792 /nfs/dbraw/zinc/96/47/92/932964792.db2.gz ZYOLMFZIFQIDPI-HOTGVXAUSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@H](C)CCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001307515314 932964794 /nfs/dbraw/zinc/96/47/94/932964794.db2.gz ZYOLMFZIFQIDPI-HOTGVXAUSA-N 1 3 254.462 3.476 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308983619 933221932 /nfs/dbraw/zinc/22/19/32/933221932.db2.gz GFDZIALCOZCHDX-ZOFXXKQRSA-N 1 3 266.473 3.377 20 0 CGADHO Cc1csc(CCCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC001327838894 935089586 /nfs/dbraw/zinc/08/95/86/935089586.db2.gz IRQBAHHOXDIVEY-DZGCQCFKSA-N 1 3 295.496 3.285 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC001332386726 935464491 /nfs/dbraw/zinc/46/44/91/935464491.db2.gz WSDOFBKCCLAJCR-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO CC[N@@H+]1CCC[C@H](CNCc2cccc3ncccc23)C1 ZINC001332386726 935464493 /nfs/dbraw/zinc/46/44/93/935464493.db2.gz WSDOFBKCCLAJCR-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO CC[N@H+]1CCC[C@H](CNCc2cccc3ncccc23)C1 ZINC001332386726 935464494 /nfs/dbraw/zinc/46/44/94/935464494.db2.gz WSDOFBKCCLAJCR-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO c1ccc([C@H]2CSCCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC001333159931 935515115 /nfs/dbraw/zinc/51/51/15/935515115.db2.gz BGNKIZLYNPPIKD-NVXWUHKLSA-N 1 3 290.476 3.166 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2sccc2C)C1 ZINC001333419746 935534576 /nfs/dbraw/zinc/53/45/76/935534576.db2.gz AXVDKBUFQFLBIW-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2sccc2C)C1 ZINC001333419746 935534578 /nfs/dbraw/zinc/53/45/78/935534578.db2.gz AXVDKBUFQFLBIW-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO CSCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001335534485 936151810 /nfs/dbraw/zinc/15/18/10/936151810.db2.gz WYBSXCPZCMYXNH-RHSMWYFYSA-N 1 3 292.492 3.322 20 0 CGADHO CSCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001335534485 936151812 /nfs/dbraw/zinc/15/18/12/936151812.db2.gz WYBSXCPZCMYXNH-RHSMWYFYSA-N 1 3 292.492 3.322 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@H+](Cc2ccccc2)C1 ZINC001336396838 936191706 /nfs/dbraw/zinc/19/17/06/936191706.db2.gz VGJXEHAHBZVWRT-MRXNPFEDSA-N 1 3 281.403 3.040 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001336396838 936191709 /nfs/dbraw/zinc/19/17/09/936191709.db2.gz VGJXEHAHBZVWRT-MRXNPFEDSA-N 1 3 281.403 3.040 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc2cccnc12 ZINC001473928007 937830940 /nfs/dbraw/zinc/83/09/40/937830940.db2.gz OMIZGKYSMWVVIV-HNNXBMFYSA-N 1 3 295.430 3.117 20 0 CGADHO CNc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001474646774 937872676 /nfs/dbraw/zinc/87/26/76/937872676.db2.gz FXGUYIHRRXPTNA-QAPCUYQASA-N 1 3 289.467 3.281 20 0 CGADHO CNc1ccccc1C[N@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001474646774 937872677 /nfs/dbraw/zinc/87/26/77/937872677.db2.gz FXGUYIHRRXPTNA-QAPCUYQASA-N 1 3 289.467 3.281 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC001553028097 938196066 /nfs/dbraw/zinc/19/60/66/938196066.db2.gz UMKYCZNVEXAMAL-LBELIVKGSA-N 1 3 290.373 3.084 20 0 CGADHO Fc1ccc2oc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2c1 ZINC001560262621 938249816 /nfs/dbraw/zinc/24/98/16/938249816.db2.gz JHBHYQUZYWPCLS-LBPRGKRZSA-N 1 3 288.366 3.146 20 0 CGADHO CC(C)(C[NH2+]CCc1ccc(F)cc1)CN1CCCC1 ZINC001560805380 938276847 /nfs/dbraw/zinc/27/68/47/938276847.db2.gz DZQXOVBTGBQJIY-UHFFFAOYSA-N 1 3 278.415 3.080 20 0 CGADHO CC(C)C1CCC(C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001561034528 938290742 /nfs/dbraw/zinc/29/07/42/938290742.db2.gz UIJHJVCLRQYNGT-HTWSVDAQSA-N 1 3 278.484 3.380 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC001561055673 938292414 /nfs/dbraw/zinc/29/24/14/938292414.db2.gz TZIVJXWUPBYAEE-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001561053694 938292431 /nfs/dbraw/zinc/29/24/31/938292431.db2.gz YXYFBXAFCBJNAK-GFOCRRMGSA-N 1 3 290.426 3.077 20 0 CGADHO NC[C@]12C[N@H+](CCC3CCCCC3)C[C@@H]1CCCC2 ZINC001580256100 960487483 /nfs/dbraw/zinc/48/74/83/960487483.db2.gz RCBDDQYNZOZHFJ-DLBZAZTESA-N 1 3 264.457 3.408 20 0 CGADHO NC[C@]12C[N@@H+](CCC3CCCCC3)C[C@@H]1CCCC2 ZINC001580256100 960487493 /nfs/dbraw/zinc/48/74/93/960487493.db2.gz RCBDDQYNZOZHFJ-DLBZAZTESA-N 1 3 264.457 3.408 20 0 CGADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](N)C(C)C ZINC001574979593 962345610 /nfs/dbraw/zinc/34/56/10/962345610.db2.gz JVYOWQWNPSYKQJ-BCNIOPEESA-N 1 3 298.377 3.264 20 0 CGADHO CC(C)[C@H](C[NH2+]C1CC(N)C1)c1ccc(Cl)cc1 ZINC001575429504 962378985 /nfs/dbraw/zinc/37/89/85/962378985.db2.gz IFTDFAAMJDLZIZ-NRXISQOPSA-N 1 3 266.816 3.159 20 0 CGADHO CC(C)[C@H](CNC1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC001575429504 962379007 /nfs/dbraw/zinc/37/90/07/962379007.db2.gz IFTDFAAMJDLZIZ-NRXISQOPSA-N 1 3 266.816 3.159 20 0 CGADHO CC(C)[C@H](c1ccccc1)N(C)Cc1cc(C2C[NH2+]C2)no1 ZINC001575475706 962380351 /nfs/dbraw/zinc/38/03/51/962380351.db2.gz SOVORIPQPXYTAE-GOSISDBHSA-N 1 3 299.418 3.191 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+]C[C@@H](CN)C(C)C)CC1 ZINC001575581548 962395111 /nfs/dbraw/zinc/39/51/11/962395111.db2.gz SAPRRHARFILEHB-BRWVUGGUSA-N 1 3 284.488 3.181 20 0 CGADHO C[C@H](c1ccc(F)nc1)N1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001576302193 962445905 /nfs/dbraw/zinc/44/59/05/962445905.db2.gz SFMHVLDFBFIIHJ-UKRRQHHQSA-N 1 3 291.414 3.123 20 0 CGADHO C[C@@H]1CCCN(C[C@]2(C)CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC001576705546 962483553 /nfs/dbraw/zinc/48/35/53/962483553.db2.gz UMXFKMMCUILNCK-UTUOFQBUSA-N 1 3 279.255 3.020 20 0 CGADHO CCc1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CCO2 ZINC001578263464 962588535 /nfs/dbraw/zinc/58/85/35/962588535.db2.gz IEGHMYMKOHILMN-SFHVURJKSA-N 1 3 296.414 3.321 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC001578677763 962592489 /nfs/dbraw/zinc/59/24/89/962592489.db2.gz GITFEOTVPSODHG-UHFFFAOYSA-N 1 3 299.418 3.163 20 0 CGADHO COCc1c(C)cc(C)c(CN(C)CC(C)(C)C[NH3+])c1C ZINC001579090721 962612830 /nfs/dbraw/zinc/61/28/30/962612830.db2.gz RFSLRYKOTNSFPA-UHFFFAOYSA-N 1 3 292.467 3.175 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC001579738285 962662453 /nfs/dbraw/zinc/66/24/53/962662453.db2.gz LUIQPJBPAGGVRG-WBVHZDCISA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ncoc1CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001579888121 962678949 /nfs/dbraw/zinc/67/89/49/962678949.db2.gz OLCOWOTYABYXBA-ZBFHGGJFSA-N 1 3 291.439 3.103 20 0 CGADHO Cc1ccccc1SC[C@H](C)C[N@@H+]1CCCNCC1 ZINC001579804360 962682582 /nfs/dbraw/zinc/68/25/82/962682582.db2.gz AWOCQZPBZGGHLT-CQSZACIVSA-N 1 3 278.465 3.019 20 0 CGADHO Cc1ccccc1SC[C@H](C)C[N@H+]1CCCNCC1 ZINC001579804360 962682608 /nfs/dbraw/zinc/68/26/08/962682608.db2.gz AWOCQZPBZGGHLT-CQSZACIVSA-N 1 3 278.465 3.019 20 0 CGADHO C[C@]1(C[NH3+])CCN(CCCOc2cccc3ccccc32)C1 ZINC000337778764 214257477 /nfs/dbraw/zinc/25/74/77/214257477.db2.gz ZPGOWSYWEYPYDB-LJQANCHMSA-N 1 3 298.430 3.279 20 0 CGADHO C[C@]1(CN)CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000337778764 214257479 /nfs/dbraw/zinc/25/74/79/214257479.db2.gz ZPGOWSYWEYPYDB-LJQANCHMSA-N 1 3 298.430 3.279 20 0 CGADHO C[C@]1(CN)CC[N@@H+](CCCOc2cccc3ccccc32)C1 ZINC000337778764 214257483 /nfs/dbraw/zinc/25/74/83/214257483.db2.gz ZPGOWSYWEYPYDB-LJQANCHMSA-N 1 3 298.430 3.279 20 0 CGADHO CC[C@]1(C(C)C)C[C@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897669 529391469 /nfs/dbraw/zinc/39/14/69/529391469.db2.gz VPXMCGZKDAIEMZ-IAGOWNOFSA-N 1 3 291.439 3.056 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000423481537 529453266 /nfs/dbraw/zinc/45/32/66/529453266.db2.gz WUHISETUTYTYMC-UONOGXRCSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423457063 529453550 /nfs/dbraw/zinc/45/35/50/529453550.db2.gz FFVFGXZXMJVYDU-JQWIXIFHSA-N 1 3 252.427 3.015 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456930 529569172 /nfs/dbraw/zinc/56/91/72/529569172.db2.gz DYKRZSNYMOWODQ-CXAGYDPISA-N 1 3 269.392 3.137 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H]1C[C@@H]1C ZINC000414152680 529589746 /nfs/dbraw/zinc/58/97/46/529589746.db2.gz ZYZCREYGNBXNIE-KKUMJFAQSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@H]1C[C@@H]1C ZINC000423526056 529591419 /nfs/dbraw/zinc/59/14/19/529591419.db2.gz KZGVVHYGIVEASU-UVXPLXPCSA-N 1 3 276.468 3.164 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cc(C)ccc1OC ZINC000425951462 529609453 /nfs/dbraw/zinc/60/94/53/529609453.db2.gz MTKATLOUBZLNCP-ZBFHGGJFSA-N 1 3 278.440 3.242 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1C[C@H]1C ZINC000414060495 529628773 /nfs/dbraw/zinc/62/87/73/529628773.db2.gz ATLWJIUIDCOKGT-OLMNPRSZSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCC1 ZINC000449089869 529631544 /nfs/dbraw/zinc/63/15/44/529631544.db2.gz LKNRAJGPNWRTHM-SFHVURJKSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364507 349790830 /nfs/dbraw/zinc/79/08/30/349790830.db2.gz APYVFBQQDUEKPD-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364507 349790832 /nfs/dbraw/zinc/79/08/32/349790832.db2.gz APYVFBQQDUEKPD-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNCc2cccc3cnccc32)C1 ZINC000623657795 349859804 /nfs/dbraw/zinc/85/98/04/349859804.db2.gz ZCUWNBZWIZPQJB-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[N@H+]1CCCC[C@H](CNCc2cccc3cnccc32)C1 ZINC000623657795 349859808 /nfs/dbraw/zinc/85/98/08/349859808.db2.gz ZCUWNBZWIZPQJB-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000623657795 349859812 /nfs/dbraw/zinc/85/98/12/349859812.db2.gz ZCUWNBZWIZPQJB-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657743 349859842 /nfs/dbraw/zinc/85/98/42/349859842.db2.gz XUCWGMHBUARBKX-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000623655937 349856819 /nfs/dbraw/zinc/85/68/19/349856819.db2.gz JCNXWXFSLIPPBF-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2nc(C)cs2)CC1 ZINC000623887634 349905702 /nfs/dbraw/zinc/90/57/02/349905702.db2.gz ILYZUQRSRDLXMT-CYBMUJFWSA-N 1 3 281.469 3.224 20 0 CGADHO C[NH2+]CCN[C@H](CCc1ccc(Cl)cc1)C(C)C ZINC000423227080 529979132 /nfs/dbraw/zinc/97/91/32/529979132.db2.gz UKUAFYBYFAJJAN-OAHLLOKOSA-N 1 3 268.832 3.106 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(OC)c2ccccc21 ZINC000423270769 529985746 /nfs/dbraw/zinc/98/57/46/529985746.db2.gz ILDYXZUCHXZBFW-KGLIPLIRSA-N 1 3 286.419 3.355 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423270299 530000205 /nfs/dbraw/zinc/00/02/05/530000205.db2.gz HQDPDXQHFDEHAR-NOLJZWGESA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423270299 530000206 /nfs/dbraw/zinc/00/02/06/530000206.db2.gz HQDPDXQHFDEHAR-NOLJZWGESA-N 1 3 280.843 3.421 20 0 CGADHO [NH3+]C[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000038328257 344955649 /nfs/dbraw/zinc/95/56/49/344955649.db2.gz AQUSKRWALVNRRM-LBPRGKRZSA-N 1 3 260.406 3.072 20 0 CGADHO Cc1nc(C)c([C@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000049538732 345074444 /nfs/dbraw/zinc/07/44/44/345074444.db2.gz QJRZXSIZZQPKRG-JTQLQIEISA-N 1 3 275.421 3.069 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c1 ZINC000086256420 345749312 /nfs/dbraw/zinc/74/93/12/345749312.db2.gz FMWDLFUQGHNCBN-YJBOKZPZSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c1 ZINC000086256420 345749314 /nfs/dbraw/zinc/74/93/14/345749314.db2.gz FMWDLFUQGHNCBN-YJBOKZPZSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@H](CC(F)(F)F)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000089512956 345770160 /nfs/dbraw/zinc/77/01/60/345770160.db2.gz WSJHYWCGVSRXQC-SNVBAGLBSA-N 1 3 266.351 3.180 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000089551720 345770821 /nfs/dbraw/zinc/77/08/21/345770821.db2.gz JKAWDKWAWCKRCJ-RVKKMQEKSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)CN1CCCC1 ZINC000157535511 232234134 /nfs/dbraw/zinc/23/41/34/232234134.db2.gz LZLSAQZMVYQJEC-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](CN[C@@H](C)Cc1ccccc1F)C[NH+]1CCCC1 ZINC000157535511 232234137 /nfs/dbraw/zinc/23/41/37/232234137.db2.gz LZLSAQZMVYQJEC-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO c1cc2cc(C[NH2+]CCCN3CCCCC3)ccc2[nH]1 ZINC000124346001 346012060 /nfs/dbraw/zinc/01/20/60/346012060.db2.gz FJXOSBOVJDXFTM-UHFFFAOYSA-N 1 3 271.408 3.134 20 0 CGADHO CC[NH+]1CCC(CNCc2cc(Cl)ccc2F)CC1 ZINC000125319368 346016656 /nfs/dbraw/zinc/01/66/56/346016656.db2.gz GUXUPGMQHYGNSE-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1nocc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000351684716 219172965 /nfs/dbraw/zinc/17/29/65/219172965.db2.gz JTMZKYUWODHRLP-UHFFFAOYSA-N 1 3 291.439 3.071 20 0 CGADHO c1ccc(C(C[NH2+]C2CCNCC2)c2ccccc2)cc1 ZINC000165678681 346184947 /nfs/dbraw/zinc/18/49/47/346184947.db2.gz JNXAONYEAZDRRR-UHFFFAOYSA-N 1 3 280.415 3.160 20 0 CGADHO c1ccc(C(CNC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000165678681 346184949 /nfs/dbraw/zinc/18/49/49/346184949.db2.gz JNXAONYEAZDRRR-UHFFFAOYSA-N 1 3 280.415 3.160 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227550085 346310095 /nfs/dbraw/zinc/31/00/95/346310095.db2.gz FCNYOUWMOYZOPY-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000300078282 346435981 /nfs/dbraw/zinc/43/59/81/346435981.db2.gz JCOPIRIGBYFUHA-USXIJHARSA-N 1 3 264.457 3.299 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000351861614 219228814 /nfs/dbraw/zinc/22/88/14/219228814.db2.gz LBRKDRQXLRHQEZ-QWHCGFSZSA-N 1 3 298.883 3.491 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120475 349976682 /nfs/dbraw/zinc/97/66/82/349976682.db2.gz ZYGPQFPGDXDGKX-ZWKOTPCHSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCCCC1 ZINC000624120244 349977100 /nfs/dbraw/zinc/97/71/00/349977100.db2.gz UTDWASASFYAJHW-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@@H](C)C1 ZINC000624122093 349980191 /nfs/dbraw/zinc/98/01/91/349980191.db2.gz JMHIZLJWJIDTEU-UGUYLWEFSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121231 349979185 /nfs/dbraw/zinc/97/91/85/349979185.db2.gz QNEGJVCMDXZCPZ-LSDHHAIUSA-N 1 3 280.481 3.391 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122131 349979665 /nfs/dbraw/zinc/97/96/65/349979665.db2.gz KMHHNGCTFATZLI-HRCADAONSA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000624121657 349979928 /nfs/dbraw/zinc/97/99/28/349979928.db2.gz AJNCRGGPKIFHHM-MJGOQNOKSA-N 1 3 286.463 3.329 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000624123145 349981818 /nfs/dbraw/zinc/98/18/18/349981818.db2.gz GNHOMJQOENPFAN-HZPDHXFCSA-N 1 3 264.457 3.421 20 0 CGADHO CC(CN1CCC[C@@H]1C1CC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000605574338 348162559 /nfs/dbraw/zinc/16/25/59/348162559.db2.gz MSAWJKIOGPYTKF-QZTJIDSGSA-N 1 3 276.468 3.371 20 0 CGADHO CC(CN1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000605574338 348162562 /nfs/dbraw/zinc/16/25/62/348162562.db2.gz MSAWJKIOGPYTKF-QZTJIDSGSA-N 1 3 276.468 3.371 20 0 CGADHO C[N@H+](CCCCCOc1ccccc1)[C@@H]1CCCNCC1 ZINC000339406452 215149780 /nfs/dbraw/zinc/14/97/80/215149780.db2.gz IEZHVRJUOGKZCS-QGZVFWFLSA-N 1 3 290.451 3.310 20 0 CGADHO C[N@@H+](CCCCCOc1ccccc1)[C@@H]1CCCNCC1 ZINC000339406452 215149783 /nfs/dbraw/zinc/14/97/83/215149783.db2.gz IEZHVRJUOGKZCS-QGZVFWFLSA-N 1 3 290.451 3.310 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cs1 ZINC000624123234 349982917 /nfs/dbraw/zinc/98/29/17/349982917.db2.gz IHQSVDGZAAKHKE-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1cc(Cl)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000128790305 187390891 /nfs/dbraw/zinc/39/08/91/187390891.db2.gz UVVBPZGZLPXNKE-UHFFFAOYSA-N 1 3 278.827 3.365 20 0 CGADHO Cc1ccc([C@H](C)C[NH+]2CCC(N(C)C)CC2)cc1 ZINC000628140628 350408580 /nfs/dbraw/zinc/40/85/80/350408580.db2.gz RMCZPPSYVSABPJ-OAHLLOKOSA-N 1 3 260.425 3.125 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190501 350432255 /nfs/dbraw/zinc/43/22/55/350432255.db2.gz IDVRXTBPZOMERR-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190501 350432258 /nfs/dbraw/zinc/43/22/58/350432258.db2.gz IDVRXTBPZOMERR-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190501 350432259 /nfs/dbraw/zinc/43/22/59/350432259.db2.gz IDVRXTBPZOMERR-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190501 350432260 /nfs/dbraw/zinc/43/22/60/350432260.db2.gz IDVRXTBPZOMERR-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1cc(F)cc(F)c1 ZINC000628425884 350536877 /nfs/dbraw/zinc/53/68/77/350536877.db2.gz YKKXTEUQBRZMCC-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H](CNC[C@@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425884 350536879 /nfs/dbraw/zinc/53/68/79/350536879.db2.gz YKKXTEUQBRZMCC-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H](CNC[C@@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425884 350536883 /nfs/dbraw/zinc/53/68/83/350536883.db2.gz YKKXTEUQBRZMCC-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537726 350705921 /nfs/dbraw/zinc/70/59/21/350705921.db2.gz KPKLWEXRUGJMQU-XOKHGSTOSA-N 1 3 278.415 3.123 20 0 CGADHO Cc1cc2cc([C@H](C)NCCOCCC[NH3+])oc2cc1C ZINC000629541957 350707884 /nfs/dbraw/zinc/70/78/84/350707884.db2.gz VALWBMQYCWQMSW-AWEZNQCLSA-N 1 3 290.407 3.066 20 0 CGADHO Clc1ccc2c(c1)[C@@H]([NH2+]C1CCNCC1)CCC2 ZINC000629549652 350710928 /nfs/dbraw/zinc/71/09/28/350710928.db2.gz TURFAXMECNJRKR-HNNXBMFYSA-N 1 3 264.800 3.059 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629550344 350711041 /nfs/dbraw/zinc/71/10/41/350711041.db2.gz LXDLVTXDYYAGPM-NWDGAFQWSA-N 1 3 278.362 3.359 20 0 CGADHO CC(C)Cc1cccc([C@@H](C)[NH2+]CC2(N)CCOCC2)c1 ZINC000629520034 350700627 /nfs/dbraw/zinc/70/06/27/350700627.db2.gz JXRKLDXQWMVHKS-OAHLLOKOSA-N 1 3 290.451 3.044 20 0 CGADHO CCC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629522208 350701511 /nfs/dbraw/zinc/70/15/11/350701511.db2.gz XKVJPHHKIBAUHR-HNNXBMFYSA-N 1 3 296.842 3.279 20 0 CGADHO C[C@H]([NH3+])c1cccc(-c2cccc(OCCN(C)C)c2)c1 ZINC000629700246 350743590 /nfs/dbraw/zinc/74/35/90/350743590.db2.gz HZAONSHTKAJDKK-AWEZNQCLSA-N 1 3 284.403 3.314 20 0 CGADHO Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c(F)c1 ZINC000631078367 350946242 /nfs/dbraw/zinc/94/62/42/350946242.db2.gz AUPZVIQJSXGIKH-MQVJKMGUSA-N 1 3 276.399 3.239 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000631666790 351111479 /nfs/dbraw/zinc/11/14/79/351111479.db2.gz HYEAJVKQBWAUEA-JZXOWHBKSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000631666790 351111484 /nfs/dbraw/zinc/11/14/84/351111484.db2.gz HYEAJVKQBWAUEA-JZXOWHBKSA-N 1 3 296.499 3.170 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631891057 351153340 /nfs/dbraw/zinc/15/33/40/351153340.db2.gz VRFXBZAAHQBVNR-ZIFCJYIRSA-N 1 3 284.447 3.180 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631891057 351153342 /nfs/dbraw/zinc/15/33/42/351153342.db2.gz VRFXBZAAHQBVNR-ZIFCJYIRSA-N 1 3 284.447 3.180 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc3cccnc32)C1 ZINC000634733131 351578264 /nfs/dbraw/zinc/57/82/64/351578264.db2.gz XNIUEQIIZIXLDW-MRXNPFEDSA-N 1 3 283.419 3.103 20 0 CGADHO Cc1cc(C[N@@H+]2CCCCC[C@H](N)C2)cc2cccnc12 ZINC000634997484 351620510 /nfs/dbraw/zinc/62/05/10/351620510.db2.gz MDFHYSWEYGBLQU-KRWDZBQOSA-N 1 3 283.419 3.247 20 0 CGADHO Cc1cc(C[N@H+]2CCCCC[C@H](N)C2)cc2cccnc12 ZINC000634997484 351620514 /nfs/dbraw/zinc/62/05/14/351620514.db2.gz MDFHYSWEYGBLQU-KRWDZBQOSA-N 1 3 283.419 3.247 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005517 351624065 /nfs/dbraw/zinc/62/40/65/351624065.db2.gz OGXNHLJJRHZLJC-OIISXLGYSA-N 1 3 260.425 3.115 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635008312 351626302 /nfs/dbraw/zinc/62/63/02/351626302.db2.gz RKJUTTVXRDNSFI-BRWVUGGUSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1F ZINC000635009321 351627464 /nfs/dbraw/zinc/62/74/64/351627464.db2.gz XVCGVDGURKTCIL-GVXVVHGQSA-N 1 3 268.351 3.133 20 0 CGADHO N[C@@H](CC[NH2+][C@@H]1CCCC12CCC2)Cc1ccccc1 ZINC000635009131 351627494 /nfs/dbraw/zinc/62/74/94/351627494.db2.gz TXXTULFZSNMRJU-DLBZAZTESA-N 1 3 272.436 3.259 20 0 CGADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635009873 351628086 /nfs/dbraw/zinc/62/80/86/351628086.db2.gz IAIPECDOOZJIBD-IHRRRGAJSA-N 1 3 252.446 3.179 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCc3sccc32)C1 ZINC000635011124 351629216 /nfs/dbraw/zinc/62/92/16/351629216.db2.gz MKXNOIVYHNLYJD-GXTWGEPZSA-N 1 3 278.465 3.493 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCc3ccccc32)C1 ZINC000635012603 351630423 /nfs/dbraw/zinc/63/04/23/351630423.db2.gz UMVRYNWZSZSRBK-GOEBONIOSA-N 1 3 258.409 3.042 20 0 CGADHO CC(CN1[C@H](C)CC[C@@H]1C)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123391951 187088674 /nfs/dbraw/zinc/08/86/74/187088674.db2.gz FWDSHMKXJVAMFU-GEEKYZPCSA-N 1 3 252.446 3.368 20 0 CGADHO CC(CN1[C@H](C)CC[C@@H]1C)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123391951 187088675 /nfs/dbraw/zinc/08/86/75/187088675.db2.gz FWDSHMKXJVAMFU-GEEKYZPCSA-N 1 3 252.446 3.368 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000365067579 234080968 /nfs/dbraw/zinc/08/09/68/234080968.db2.gz IHWQRBRQVJVYHX-MDMSPXHWSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000133685863 187700506 /nfs/dbraw/zinc/70/05/06/187700506.db2.gz XNIQTKXYIHKRNH-KDOFPFPSSA-N 1 3 272.436 3.358 20 0 CGADHO C[C@H](Cc1ccccc1F)NC1CC([NH+]2CCCCC2)C1 ZINC000366279828 234160784 /nfs/dbraw/zinc/16/07/84/234160784.db2.gz HXQRYHXVCWNZEF-ODIFPOPNSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)cc1F ZINC000152437931 188018585 /nfs/dbraw/zinc/01/85/85/188018585.db2.gz VMMJQDNUKJNBQX-PXAZEXFGSA-N 1 3 294.389 3.490 20 0 CGADHO Cc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1F ZINC000414802411 235467720 /nfs/dbraw/zinc/46/77/20/235467720.db2.gz BKHOBXBJAKTVEL-ZDUSSCGKSA-N 1 3 272.367 3.444 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOC1CCCCC1 ZINC000093516526 138347367 /nfs/dbraw/zinc/34/73/67/138347367.db2.gz XBFFRHFQFJZNGZ-HOTGVXAUSA-N 1 3 282.472 3.236 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(F)c1 ZINC000093514876 138347748 /nfs/dbraw/zinc/34/77/48/138347748.db2.gz AKZWSJYFIQUZCN-YOEHRIQHSA-N 1 3 278.415 3.269 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000127722115 138390054 /nfs/dbraw/zinc/39/00/54/138390054.db2.gz ASMUUCQCHMFIRZ-YJBOKZPZSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000127722115 138390056 /nfs/dbraw/zinc/39/00/56/138390056.db2.gz ASMUUCQCHMFIRZ-YJBOKZPZSA-N 1 3 295.430 3.178 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422855329 235932366 /nfs/dbraw/zinc/93/23/66/235932366.db2.gz CHJKUCRHGNWWTH-WBVHZDCISA-N 1 3 274.452 3.380 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1Cl ZINC000422919408 235942006 /nfs/dbraw/zinc/94/20/06/235942006.db2.gz JXQWLIWWVFELAM-GZBFAFLISA-N 1 3 296.842 3.085 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000423053745 235964549 /nfs/dbraw/zinc/96/45/49/235964549.db2.gz SJQUAERWSXSKEJ-GJZGRUSLSA-N 1 3 278.465 3.207 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1coc2ccccc12 ZINC000422981563 235951524 /nfs/dbraw/zinc/95/15/24/235951524.db2.gz OUJBYJYFALKCCD-GFCCVEGCSA-N 1 3 295.386 3.446 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC2(N)CCCCCC2)cc1 ZINC000423199633 235993886 /nfs/dbraw/zinc/99/38/86/235993886.db2.gz KFYUQUIUWLWUFE-AWEZNQCLSA-N 1 3 276.424 3.398 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423224750 236001212 /nfs/dbraw/zinc/00/12/12/236001212.db2.gz KDNOCZXRUYEOKX-CORIIIEPSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423224750 236001213 /nfs/dbraw/zinc/00/12/13/236001213.db2.gz KDNOCZXRUYEOKX-CORIIIEPSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@H](C)[NH3+])sc1Br ZINC000423226015 236002424 /nfs/dbraw/zinc/00/24/24/236002424.db2.gz PCMNHUYAMKILQM-DTWKUNHWSA-N 1 3 291.258 3.207 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423264234 236014037 /nfs/dbraw/zinc/01/40/37/236014037.db2.gz BVWIGBVIJQOPPE-NJZAAPMLSA-N 1 3 298.377 3.456 20 0 CGADHO COc1ccc([C@@H](CCC(C)C)NC[C@@H](C)C[NH3+])cc1 ZINC000423297485 236029323 /nfs/dbraw/zinc/02/93/23/236029323.db2.gz KKWKMNUEFTUSMP-WMLDXEAASA-N 1 3 278.440 3.357 20 0 CGADHO Cc1cc(OCCC[C@H](C)[NH2+]CC2CNC2)ccc1Cl ZINC000423339279 236043623 /nfs/dbraw/zinc/04/36/23/236043623.db2.gz ZLQNBKSIYRBERA-ZDUSSCGKSA-N 1 3 296.842 3.005 20 0 CGADHO Cc1cccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423353900 236048678 /nfs/dbraw/zinc/04/86/78/236048678.db2.gz FGEXAWJUGAZCGK-CQSZACIVSA-N 1 3 266.388 3.449 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000423357774 236049219 /nfs/dbraw/zinc/04/92/19/236049219.db2.gz ARBYQFYNLJDDMA-KATVLWTNSA-N 1 3 288.435 3.047 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C2CC2)cc1 ZINC000423373777 236054142 /nfs/dbraw/zinc/05/41/42/236054142.db2.gz JNHLPCAQECPYAA-WBAXXEDZSA-N 1 3 272.436 3.046 20 0 CGADHO c1ccc(C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C2CC2)cc1 ZINC000423398916 236063210 /nfs/dbraw/zinc/06/32/10/236063210.db2.gz UJBLTUFGFMOGKS-FQEVSTJZSA-N 1 3 292.426 3.401 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423452051 236073995 /nfs/dbraw/zinc/07/39/95/236073995.db2.gz VVUHMFHANVBRLD-DCAQKATOSA-N 1 3 252.427 3.013 20 0 CGADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)N)sc1Br ZINC000423455852 236075300 /nfs/dbraw/zinc/07/53/00/236075300.db2.gz DASYFDASPUAVFW-YIZRAAEISA-N 1 3 291.258 3.205 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000423460832 236075832 /nfs/dbraw/zinc/07/58/32/236075832.db2.gz BMWSKSDEKAXEDP-ZFOGPFJYSA-N 1 3 290.426 3.153 20 0 CGADHO COC[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423469622 236078420 /nfs/dbraw/zinc/07/84/20/236078420.db2.gz CVFCQBJCUYTRTF-HOTGVXAUSA-N 1 3 296.842 3.149 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424326831 236150336 /nfs/dbraw/zinc/15/03/36/236150336.db2.gz PIYSOCRNJPVFFE-XLAORIBOSA-N 1 3 282.431 3.039 20 0 CGADHO Cc1cc(OCC[NH2+][C@@H]2CCCC[C@H]2N)ccc1C(C)C ZINC000424333157 236152459 /nfs/dbraw/zinc/15/24/59/236152459.db2.gz LNTLUCSOXBENAS-QZTJIDSGSA-N 1 3 290.451 3.357 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000294866565 199220516 /nfs/dbraw/zinc/22/05/16/199220516.db2.gz WHNAWGYUNMFCPO-RLFYNMQTSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000178362107 189109750 /nfs/dbraw/zinc/10/97/50/189109750.db2.gz VESCNSBHGFNEHC-KBPBESRZSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000178413315 189114136 /nfs/dbraw/zinc/11/41/36/189114136.db2.gz IWUNGKDBTHCVRP-INIZCTEOSA-N 1 3 298.434 3.009 20 0 CGADHO COC1CC[NH+](CCNc2ccnc3ccc(C)cc32)CC1 ZINC000302136322 201356808 /nfs/dbraw/zinc/35/68/08/201356808.db2.gz BFSLGSVTVNXVKH-UHFFFAOYSA-N 1 3 299.418 3.066 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc2cccnc21 ZINC000120511535 370776041 /nfs/dbraw/zinc/77/60/41/370776041.db2.gz FLPFIKSVYYIZOP-CKEIUWERSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc2cccnc21 ZINC000120511535 370776045 /nfs/dbraw/zinc/77/60/45/370776045.db2.gz FLPFIKSVYYIZOP-CKEIUWERSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120533949 370778293 /nfs/dbraw/zinc/77/82/93/370778293.db2.gz UGNRRFWFVMFVDH-SGMGOOAPSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120533949 370778301 /nfs/dbraw/zinc/77/83/01/370778301.db2.gz UGNRRFWFVMFVDH-SGMGOOAPSA-N 1 3 298.377 3.421 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(F)c(Cl)c2)C1 ZINC000459736669 242199650 /nfs/dbraw/zinc/19/96/50/242199650.db2.gz QJKQEZGQCVVGHF-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(F)c(Cl)c2)C1 ZINC000459736669 242199656 /nfs/dbraw/zinc/19/96/56/242199656.db2.gz QJKQEZGQCVVGHF-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CCC[C@H]([NH+](C)C)C1 ZINC000462513532 242349889 /nfs/dbraw/zinc/34/98/89/242349889.db2.gz SJCQHPSJUGRGFQ-HNNXBMFYSA-N 1 3 283.419 3.382 20 0 CGADHO C[C@@H](NCC(C)(C)c1ccc(F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422725514 296116991 /nfs/dbraw/zinc/11/69/91/296116991.db2.gz BNRYNFISFCFRIC-VXGBXAGGSA-N 1 3 298.833 3.344 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000477918910 243060775 /nfs/dbraw/zinc/06/07/75/243060775.db2.gz CHUWEVJDGUBLEP-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000477927959 243061422 /nfs/dbraw/zinc/06/14/22/243061422.db2.gz QGUFTHBJZFDDTM-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CCOc1c(Cl)cccc1CNCCCC[NH+](C)C ZINC000486946561 243383352 /nfs/dbraw/zinc/38/33/52/243383352.db2.gz SERKDYADTGGEFU-UHFFFAOYSA-N 1 3 284.831 3.170 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CC1(C)C ZINC000486974537 243391818 /nfs/dbraw/zinc/39/18/18/243391818.db2.gz XOPIQSUPPJVSGS-RHSMWYFYSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CC(C)(C)C1 ZINC000021013441 368810514 /nfs/dbraw/zinc/81/05/14/368810514.db2.gz BYMJCTFYRHDLPO-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000019942881 368788369 /nfs/dbraw/zinc/78/83/69/368788369.db2.gz VUNYTEVIGBJFKU-INIZCTEOSA-N 1 3 262.441 3.329 20 0 CGADHO CC[N@@H+]1CCC[C@H]1CNc1cc(C)nc2ccccc21 ZINC000035206395 369000291 /nfs/dbraw/zinc/00/02/91/369000291.db2.gz XYRQOBJALHQOJP-AWEZNQCLSA-N 1 3 269.392 3.439 20 0 CGADHO CC[N@H+]1CCC[C@H]1CNc1cc(C)nc2ccccc21 ZINC000035206395 369000295 /nfs/dbraw/zinc/00/02/95/369000295.db2.gz XYRQOBJALHQOJP-AWEZNQCLSA-N 1 3 269.392 3.439 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cccc2c1OCO2 ZINC000036167758 369011946 /nfs/dbraw/zinc/01/19/46/369011946.db2.gz LBEJBBOVMWNSRN-CQSZACIVSA-N 1 3 292.423 3.015 20 0 CGADHO Cc1ccccc1C1CC([NH2+]CCCN2CCCC2)C1 ZINC000036843510 369033200 /nfs/dbraw/zinc/03/32/00/369033200.db2.gz QGNGRPYANUNJRV-UHFFFAOYSA-N 1 3 272.436 3.317 20 0 CGADHO Cc1ccccc1C1CC(NCCC[NH+]2CCCC2)C1 ZINC000036843510 369033206 /nfs/dbraw/zinc/03/32/06/369033206.db2.gz QGNGRPYANUNJRV-UHFFFAOYSA-N 1 3 272.436 3.317 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037649162 369094219 /nfs/dbraw/zinc/09/42/19/369094219.db2.gz TVKMVNGKZIYISZ-WMLDXEAASA-N 1 3 258.409 3.212 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649162 369094226 /nfs/dbraw/zinc/09/42/26/369094226.db2.gz TVKMVNGKZIYISZ-WMLDXEAASA-N 1 3 258.409 3.212 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000042857987 369235771 /nfs/dbraw/zinc/23/57/71/369235771.db2.gz XOAHSQRMMZQHIA-CVEARBPZSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000049553684 369408801 /nfs/dbraw/zinc/40/88/01/369408801.db2.gz QLMBURASZHNYMY-KGLIPLIRSA-N 1 3 260.425 3.166 20 0 CGADHO Cc1cc(NCC2(C)CC[NH2+]CC2)c2ccccc2n1 ZINC000129445520 370987130 /nfs/dbraw/zinc/98/71/30/370987130.db2.gz QWKHYJKYCQVRBO-UHFFFAOYSA-N 1 3 269.392 3.345 20 0 CGADHO Cc1ccccc1[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000062077850 369617917 /nfs/dbraw/zinc/61/79/17/369617917.db2.gz GYLNOOKLPIDAJO-GOEBONIOSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077850 369617923 /nfs/dbraw/zinc/61/79/23/369617923.db2.gz GYLNOOKLPIDAJO-GOEBONIOSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000062077516 369618301 /nfs/dbraw/zinc/61/83/01/369618301.db2.gz BVBFDJNAAURXCK-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccccc1 ZINC000062077516 369618305 /nfs/dbraw/zinc/61/83/05/369618305.db2.gz BVBFDJNAAURXCK-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCc2sccc21)CN1CCCC1 ZINC000062079036 369619166 /nfs/dbraw/zinc/61/91/66/369619166.db2.gz DOCKOUCDJIWUMK-ZFWWWQNUSA-N 1 3 278.465 3.447 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000070171764 369786426 /nfs/dbraw/zinc/78/64/26/369786426.db2.gz BVURVCWMNAWNMW-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000070171764 369786429 /nfs/dbraw/zinc/78/64/29/369786429.db2.gz BVURVCWMNAWNMW-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CC[C@@H](C)c2ccccc2)C1 ZINC000070171764 369786432 /nfs/dbraw/zinc/78/64/32/369786432.db2.gz BVURVCWMNAWNMW-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000070185579 369787599 /nfs/dbraw/zinc/78/75/99/369787599.db2.gz QRHHCSSATCBMCD-UHFFFAOYSA-N 1 3 283.419 3.197 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H](C2CC2)C1)CN1CCCC1 ZINC000081625363 369997889 /nfs/dbraw/zinc/99/78/89/369997889.db2.gz WWHZOWZYLPTTTH-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC000092043382 370089279 /nfs/dbraw/zinc/08/92/79/370089279.db2.gz XIKSOJAJOUITGD-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC000092043382 370089280 /nfs/dbraw/zinc/08/92/80/370089280.db2.gz XIKSOJAJOUITGD-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000092043382 370089284 /nfs/dbraw/zinc/08/92/84/370089284.db2.gz XIKSOJAJOUITGD-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000092043382 370089287 /nfs/dbraw/zinc/08/92/87/370089287.db2.gz XIKSOJAJOUITGD-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(C)ccc1OC ZINC000093399174 370121334 /nfs/dbraw/zinc/12/13/34/370121334.db2.gz KOOARLQPIYCFPJ-NVXWUHKLSA-N 1 3 290.451 3.386 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)s1 ZINC000132106315 371152144 /nfs/dbraw/zinc/15/21/44/371152144.db2.gz ZJVYMBGXBPSCRK-LLVKDONJSA-N 1 3 283.485 3.252 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3sccc32)[C@H](C)C1 ZINC000133020020 371220480 /nfs/dbraw/zinc/22/04/80/371220480.db2.gz HPKOHOORHOCNHI-VHDGCEQUSA-N 1 3 278.465 3.445 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3sccc32)[C@H](C)C1 ZINC000133020020 371220484 /nfs/dbraw/zinc/22/04/84/371220484.db2.gz HPKOHOORHOCNHI-VHDGCEQUSA-N 1 3 278.465 3.445 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133315805 371242774 /nfs/dbraw/zinc/24/27/74/371242774.db2.gz HUSPRXIVCTZQRK-OLZOCXBDSA-N 1 3 295.496 3.055 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133315805 371242780 /nfs/dbraw/zinc/24/27/80/371242780.db2.gz HUSPRXIVCTZQRK-OLZOCXBDSA-N 1 3 295.496 3.055 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000151095774 371568068 /nfs/dbraw/zinc/56/80/68/371568068.db2.gz TVXAJWGMZMJTMX-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000151107078 371569481 /nfs/dbraw/zinc/56/94/81/371569481.db2.gz MRCDVZZCZFYTKY-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1Cl)CN(C)C ZINC000421851109 371674437 /nfs/dbraw/zinc/67/44/37/371674437.db2.gz FIMPUZNNHAVHDU-VXGBXAGGSA-N 1 3 286.822 3.197 20 0 CGADHO C[C@H](CN[C@H](C)Cc1ccc(F)cc1Cl)C[NH+](C)C ZINC000421851109 371674441 /nfs/dbraw/zinc/67/44/41/371674441.db2.gz FIMPUZNNHAVHDU-VXGBXAGGSA-N 1 3 286.822 3.197 20 0 CGADHO COc1ccc([C@H]([NH2+]CCCN(C)C)C(C)C)c(F)c1 ZINC000421801845 371636809 /nfs/dbraw/zinc/63/68/09/371636809.db2.gz LURVOHYNEPMTJW-MRXNPFEDSA-N 1 3 282.403 3.073 20 0 CGADHO COC1([C@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)CCCC1 ZINC000421820072 371641777 /nfs/dbraw/zinc/64/17/77/371641777.db2.gz KNWRDPFQDFSKDH-HNNXBMFYSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152489257 371698575 /nfs/dbraw/zinc/69/85/75/371698575.db2.gz MRRSMNWOHVTOGO-FHSNZYRGSA-N 1 3 288.410 3.133 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489257 371698586 /nfs/dbraw/zinc/69/85/86/371698586.db2.gz MRRSMNWOHVTOGO-FHSNZYRGSA-N 1 3 288.410 3.133 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152489345 371698719 /nfs/dbraw/zinc/69/87/19/371698719.db2.gz MRRSMNWOHVTOGO-ZJNRKIDTSA-N 1 3 288.410 3.133 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489345 371698727 /nfs/dbraw/zinc/69/87/27/371698727.db2.gz MRRSMNWOHVTOGO-ZJNRKIDTSA-N 1 3 288.410 3.133 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422556697 371748378 /nfs/dbraw/zinc/74/83/78/371748378.db2.gz UJDNNHWVPXVPDV-INIZCTEOSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C/c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422562650 371750403 /nfs/dbraw/zinc/75/04/03/371750403.db2.gz QPCXBTPGFWRGPP-ADWOECEWSA-N 1 3 276.399 3.144 20 0 CGADHO CSc1ccccc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422626028 371755028 /nfs/dbraw/zinc/75/50/28/371755028.db2.gz DBLKXLNXKCUFPZ-YDHLFZDLSA-N 1 3 278.465 3.214 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000422700917 371756435 /nfs/dbraw/zinc/75/64/35/371756435.db2.gz BALBZAAGHDCRHL-PBWFPOADSA-N 1 3 292.854 3.490 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707763 371761220 /nfs/dbraw/zinc/76/12/20/371761220.db2.gz ATCZGKCNVLKZJS-QWHCGFSZSA-N 1 3 273.207 3.005 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422762038 371792319 /nfs/dbraw/zinc/79/23/19/371792319.db2.gz HZZZRXYZKWSSRT-DOTOQJQBSA-N 1 3 292.492 3.206 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000422762038 371792325 /nfs/dbraw/zinc/79/23/25/371792325.db2.gz HZZZRXYZKWSSRT-DOTOQJQBSA-N 1 3 292.492 3.206 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422719616 371768274 /nfs/dbraw/zinc/76/82/74/371768274.db2.gz YZGUMJJVKOTSJN-CZUORRHYSA-N 1 3 278.415 3.081 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726377 371769875 /nfs/dbraw/zinc/76/98/75/371769875.db2.gz DSWXHXYCYSUZAR-ZIAGYGMSSA-N 1 3 252.789 3.090 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@H](C)C[C@H](C)[NH3+])c1C ZINC000422732581 371773376 /nfs/dbraw/zinc/77/33/76/371773376.db2.gz AAOYIJHBQSAGFS-NWDGAFQWSA-N 1 3 273.424 3.309 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422762955 371793035 /nfs/dbraw/zinc/79/30/35/371793035.db2.gz IOAGFSWKOCSOQX-GDBMZVCRSA-N 1 3 278.465 3.194 20 0 CGADHO Cc1ccc(SCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422762955 371793041 /nfs/dbraw/zinc/79/30/41/371793041.db2.gz IOAGFSWKOCSOQX-GDBMZVCRSA-N 1 3 278.465 3.194 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422752170 371784867 /nfs/dbraw/zinc/78/48/67/371784867.db2.gz APWKSFMVASMAIG-HYVNUMGLSA-N 1 3 260.425 3.206 20 0 CGADHO Cc1ccc(OCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422761734 371790136 /nfs/dbraw/zinc/79/01/36/371790136.db2.gz RNOXDNKTMRIGMJ-MSOLQXFVSA-N 1 3 282.387 3.108 20 0 CGADHO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422758332 371790623 /nfs/dbraw/zinc/79/06/23/371790623.db2.gz JIMVKPCHNWECOG-SDDRHHMPSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](Cc1cccc(Br)c1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422758332 371790628 /nfs/dbraw/zinc/79/06/28/371790628.db2.gz JIMVKPCHNWECOG-SDDRHHMPSA-N 1 3 299.256 3.096 20 0 CGADHO CC(C)OC[C@H](C)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000337340233 214016461 /nfs/dbraw/zinc/01/64/61/214016461.db2.gz PFQJOKKPPGYPNX-IRXDYDNUSA-N 1 3 292.467 3.300 20 0 CGADHO CC(C)OC[C@H](C)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000337340233 214016464 /nfs/dbraw/zinc/01/64/64/214016464.db2.gz PFQJOKKPPGYPNX-IRXDYDNUSA-N 1 3 292.467 3.300 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422835600 371831890 /nfs/dbraw/zinc/83/18/90/371831890.db2.gz PREWIDYALOZZQX-RHSMWYFYSA-N 1 3 294.414 3.092 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784687 371805559 /nfs/dbraw/zinc/80/55/59/371805559.db2.gz QCXAYRJJUZPIMG-KGLIPLIRSA-N 1 3 286.341 3.455 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784690 371806134 /nfs/dbraw/zinc/80/61/34/371806134.db2.gz QCXAYRJJUZPIMG-UONOGXRCSA-N 1 3 286.341 3.455 20 0 CGADHO COc1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)c1 ZINC000422784969 371806519 /nfs/dbraw/zinc/80/65/19/371806519.db2.gz JDDVSNJFMBVSTK-RBUKOAKNSA-N 1 3 296.414 3.332 20 0 CGADHO C[C@H](N[C@H](c1ccccc1)C1CCCC1)C1C[NH2+]C1 ZINC000422788626 371808337 /nfs/dbraw/zinc/80/83/37/371808337.db2.gz SMWUWMXBBJGCAL-SUMWQHHRSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@H]([NH2+][C@H](c1ccccc1)C1CCCC1)C1CNC1 ZINC000422788626 371808347 /nfs/dbraw/zinc/80/83/47/371808347.db2.gz SMWUWMXBBJGCAL-SUMWQHHRSA-N 1 3 258.409 3.115 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018430 371809734 /nfs/dbraw/zinc/80/97/34/371809734.db2.gz QJIUNUJISQWLOK-CXAGYDPISA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018430 371809739 /nfs/dbraw/zinc/80/97/39/371809739.db2.gz QJIUNUJISQWLOK-CXAGYDPISA-N 1 3 296.405 3.169 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccccc1Cl ZINC000422792483 371811423 /nfs/dbraw/zinc/81/14/23/371811423.db2.gz ZHZUQXUISDEMPE-CABCVRRESA-N 1 3 266.816 3.132 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000422792042 371811446 /nfs/dbraw/zinc/81/14/46/371811446.db2.gz WTEFQVZMGSYRGO-GFCCVEGCSA-N 1 3 275.440 3.468 20 0 CGADHO Cc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1F ZINC000422799343 371815150 /nfs/dbraw/zinc/81/51/50/371815150.db2.gz WGFVOUYKIBPDTF-LBPRGKRZSA-N 1 3 287.382 3.147 20 0 CGADHO CCC(CC)(CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422798079 371815490 /nfs/dbraw/zinc/81/54/90/371815490.db2.gz PQMPWUVITYPHMB-CVEARBPZSA-N 1 3 260.425 3.214 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@@H](C)N)cc1 ZINC000422836929 371834701 /nfs/dbraw/zinc/83/47/01/371834701.db2.gz KZXHEWFLHUJDAZ-ZIAGYGMSSA-N 1 3 262.441 3.242 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422836929 371834712 /nfs/dbraw/zinc/83/47/12/371834712.db2.gz KZXHEWFLHUJDAZ-ZIAGYGMSSA-N 1 3 262.441 3.242 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C(C)C ZINC000422803885 371819296 /nfs/dbraw/zinc/81/92/96/371819296.db2.gz DIZJDETXYYUGBP-WNRNVDISSA-N 1 3 296.499 3.338 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1 ZINC000422813036 371824888 /nfs/dbraw/zinc/82/48/88/371824888.db2.gz RHZZHYKETDWJSU-YESZJQIVSA-N 1 3 260.425 3.143 20 0 CGADHO c1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000422813257 371825050 /nfs/dbraw/zinc/82/50/50/371825050.db2.gz ZDMIKAJCLNNCCZ-WFVVYAPDSA-N 1 3 256.393 3.010 20 0 CGADHO CC[C@@H](C[NH2+][C@H](C)[C@H]1CCCCN1)Oc1ccccc1F ZINC000422814815 371827251 /nfs/dbraw/zinc/82/72/51/371827251.db2.gz AGNLVZQJGMQULQ-IJEWVQPXSA-N 1 3 294.414 3.103 20 0 CGADHO COc1cc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])ccc1OC(C)C ZINC000422814930 371827884 /nfs/dbraw/zinc/82/78/84/371827884.db2.gz WLQTZKYFSUMDET-RDBSUJKOSA-N 1 3 294.439 3.259 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(OC2CCCC2)cc1 ZINC000422948721 371887075 /nfs/dbraw/zinc/88/70/75/371887075.db2.gz SRHFBAHQPLGBCY-KBPBESRZSA-N 1 3 276.424 3.223 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422946300 371885387 /nfs/dbraw/zinc/88/53/87/371885387.db2.gz OTAILFJILXOABC-ZBFHGGJFSA-N 1 3 280.843 3.380 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCC1 ZINC000422889401 371854812 /nfs/dbraw/zinc/85/48/12/371854812.db2.gz PJOAKDXLOQHYRL-IXDOHACOSA-N 1 3 294.483 3.094 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCCC1 ZINC000422886818 371855529 /nfs/dbraw/zinc/85/55/29/371855529.db2.gz JRULIZSUBKFFNT-JKSUJKDBSA-N 1 3 282.472 3.081 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422891827 371857922 /nfs/dbraw/zinc/85/79/22/371857922.db2.gz LOUYSKHMEHQOHQ-MJBXVCDLSA-N 1 3 264.413 3.250 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000422847999 371839205 /nfs/dbraw/zinc/83/92/05/371839205.db2.gz JCSPRKOVUHLJOE-REWJHTLYSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422948550 371887280 /nfs/dbraw/zinc/88/72/80/371887280.db2.gz SICXAVLECJIAGT-CZUORRHYSA-N 1 3 280.843 3.250 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2cccc(F)c2F)c2ccccc21 ZINC000422957276 371891700 /nfs/dbraw/zinc/89/17/00/371891700.db2.gz MZRROUWUZAZDRG-CVEARBPZSA-N 1 3 288.341 3.242 20 0 CGADHO C[C@@H]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000423000682 371910702 /nfs/dbraw/zinc/91/07/02/371910702.db2.gz HDFVZFHUGYXICS-CKEIUWERSA-N 1 3 258.409 3.357 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423015215 371917177 /nfs/dbraw/zinc/91/71/77/371917177.db2.gz KHXCYNQAEIOZAI-AYOQOUSVSA-N 1 3 286.463 3.258 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCSCC(F)(F)F ZINC000423019549 371918952 /nfs/dbraw/zinc/91/89/52/371918952.db2.gz WDWOESANCJWPIQ-VXGBXAGGSA-N 1 3 298.418 3.182 20 0 CGADHO Cc1cccc([C@H](N[C@H](C)CCC[NH3+])c2ccccn2)c1 ZINC000423022954 371920083 /nfs/dbraw/zinc/92/00/83/371920083.db2.gz ISZGUBLXZDDSGF-QAPCUYQASA-N 1 3 283.419 3.196 20 0 CGADHO CC(C)(C)c1nc(CC[NH2+][C@H]2CCCC[C@H]2CN)cs1 ZINC000423021632 371920656 /nfs/dbraw/zinc/92/06/56/371920656.db2.gz FRFLBSYNKRZXFK-JSGCOSHPSA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1nc(CCN[C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000423021632 371920662 /nfs/dbraw/zinc/92/06/62/371920662.db2.gz FRFLBSYNKRZXFK-JSGCOSHPSA-N 1 3 295.496 3.090 20 0 CGADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCO1 ZINC000423026542 371922463 /nfs/dbraw/zinc/92/24/63/371922463.db2.gz BLXACHUPVJLBQD-DFBDCSAJSA-N 1 3 294.483 3.092 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@H]1CCCCO1 ZINC000423040263 371928225 /nfs/dbraw/zinc/92/82/25/371928225.db2.gz SVVPXLUOLBJACH-XDNAFOTISA-N 1 3 294.483 3.236 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2ccccc2CCC[C@@H]1C ZINC000423046177 371931237 /nfs/dbraw/zinc/93/12/37/371931237.db2.gz FAPOKACJMKAHRL-AYMQEEERSA-N 1 3 260.425 3.416 20 0 CGADHO CCC1(Cc2ccccc2)CC[NH+]([C@H](C)C2CNC2)CC1 ZINC000423099810 371963669 /nfs/dbraw/zinc/96/36/69/371963669.db2.gz UIPQCPBSDYZYCO-MRXNPFEDSA-N 1 3 286.463 3.329 20 0 CGADHO CCC1(Cc2ccccc2)CCN([C@H](C)C2C[NH2+]C2)CC1 ZINC000423099810 371963673 /nfs/dbraw/zinc/96/36/73/371963673.db2.gz UIPQCPBSDYZYCO-MRXNPFEDSA-N 1 3 286.463 3.329 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423103656 371967417 /nfs/dbraw/zinc/96/74/17/371967417.db2.gz XSRGQINQYSSUKC-STECZYCISA-N 1 3 294.389 3.460 20 0 CGADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCCC1 ZINC000423170527 372001631 /nfs/dbraw/zinc/00/16/31/372001631.db2.gz YBPJHBNJCBXALN-IXDOHACOSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc2sccc2c1 ZINC000423120492 371976620 /nfs/dbraw/zinc/97/66/20/371976620.db2.gz GWHGGYZKZBYOTG-DOMZBBRYSA-N 1 3 274.433 3.379 20 0 CGADHO Cc1ccncc1CCC[NH2+]CC[C@H](C)N1CCCCC1 ZINC000290376344 371977023 /nfs/dbraw/zinc/97/70/23/371977023.db2.gz NRWJOTZIQRGGRI-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccncc1CCCNCC[C@H](C)[NH+]1CCCCC1 ZINC000290376344 371977028 /nfs/dbraw/zinc/97/70/28/371977028.db2.gz NRWJOTZIQRGGRI-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1nccn1-c1ccccc1 ZINC000423134099 371984562 /nfs/dbraw/zinc/98/45/62/371984562.db2.gz WKQHFHFXNVCCHH-LSDHHAIUSA-N 1 3 286.423 3.040 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423133528 371985259 /nfs/dbraw/zinc/98/52/59/371985259.db2.gz QJLRHWMWLFDLKM-HZSPNIEDSA-N 1 3 274.399 3.309 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1c1ccccc1)C1CNC1 ZINC000423163704 371997723 /nfs/dbraw/zinc/99/77/23/371997723.db2.gz RMDDBCYORHQQCL-QILLFSRXSA-N 1 3 272.436 3.158 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423166052 371998134 /nfs/dbraw/zinc/99/81/34/371998134.db2.gz BZVHYWBOWGLOGT-GJZGRUSLSA-N 1 3 278.827 3.132 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167724 371999567 /nfs/dbraw/zinc/99/95/67/371999567.db2.gz FPZQUXRDHQXREX-STQMWFEESA-N 1 3 280.843 3.378 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423167724 371999570 /nfs/dbraw/zinc/99/95/70/371999570.db2.gz FPZQUXRDHQXREX-STQMWFEESA-N 1 3 280.843 3.378 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C2CC2)cc1 ZINC000423071155 371947203 /nfs/dbraw/zinc/94/72/03/371947203.db2.gz HHLMILZAPPPENZ-SUMWQHHRSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1ccc(-c2ccco2)cc1F ZINC000423087328 371954271 /nfs/dbraw/zinc/95/42/71/371954271.db2.gz PEJGBXSBEGTQJO-LBPRGKRZSA-N 1 3 276.355 3.303 20 0 CGADHO CC[C@@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423192304 372017019 /nfs/dbraw/zinc/01/70/19/372017019.db2.gz ULLPAICRKOFUBK-UTUOFQBUSA-N 1 3 266.351 3.085 20 0 CGADHO CCO[C@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C1(C)C ZINC000344156637 217078794 /nfs/dbraw/zinc/07/87/94/217078794.db2.gz AQASNUTYXJPWML-HOTGVXAUSA-N 1 3 284.488 3.289 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620646 372029542 /nfs/dbraw/zinc/02/95/42/372029542.db2.gz XGKLURMCQHRHJJ-KBXCAEBGSA-N 1 3 283.419 3.007 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620646 372029544 /nfs/dbraw/zinc/02/95/44/372029544.db2.gz XGKLURMCQHRHJJ-KBXCAEBGSA-N 1 3 283.419 3.007 20 0 CGADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208393 372031092 /nfs/dbraw/zinc/03/10/92/372031092.db2.gz HVTDMFWZIIHHAA-CVEARBPZSA-N 1 3 295.430 3.399 20 0 CGADHO C[NH2+]CCCN[C@H](CSc1ccccc1)C(C)C ZINC000423209063 372032687 /nfs/dbraw/zinc/03/26/87/372032687.db2.gz ZNXKQHWSJOTYGH-OAHLLOKOSA-N 1 3 266.454 3.002 20 0 CGADHO CNCCC[NH2+][C@H](CSc1ccccc1)C(C)C ZINC000423209063 372032693 /nfs/dbraw/zinc/03/26/93/372032693.db2.gz ZNXKQHWSJOTYGH-OAHLLOKOSA-N 1 3 266.454 3.002 20 0 CGADHO Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000423215454 372035450 /nfs/dbraw/zinc/03/54/50/372035450.db2.gz NYUJKGZBBQETQO-CWRNSKLLSA-N 1 3 278.827 3.003 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1C(C)(C)C1(C)C ZINC000423216497 372035731 /nfs/dbraw/zinc/03/57/31/372035731.db2.gz OPFSEJCCZJZCRG-AVGNSLFASA-N 1 3 252.446 3.035 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000423217836 372036338 /nfs/dbraw/zinc/03/63/38/372036338.db2.gz QPGQSPUDJXRVFE-AVGNSLFASA-N 1 3 266.454 3.349 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423395361 372060943 /nfs/dbraw/zinc/06/09/43/372060943.db2.gz SPNZKQCLGPCJAS-CTASWTNQSA-N 1 3 258.409 3.273 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000423273393 372045541 /nfs/dbraw/zinc/04/55/41/372045541.db2.gz KNFNCMQPGAOJOF-VBNZEHGJSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC23CCCC3)CCN1 ZINC000423375347 372055842 /nfs/dbraw/zinc/05/58/42/372055842.db2.gz IRKBGVRWOKNGAU-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)Cc1cccc([C@@H](C)[NH2+]C2CCNCC2)c1 ZINC000423178053 372006432 /nfs/dbraw/zinc/00/64/32/372006432.db2.gz FNZWDOFTGIDEOK-CQSZACIVSA-N 1 3 260.425 3.288 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2N[C@@H]2CCC[NH2+]C2)cc1 ZINC000423181113 372008626 /nfs/dbraw/zinc/00/86/26/372008626.db2.gz FNNIAGFMGJRZDI-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO CCCCc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423180678 372009008 /nfs/dbraw/zinc/00/90/08/372009008.db2.gz IIPVBSOYDTZPEW-AWEZNQCLSA-N 1 3 260.425 3.432 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423181501 372010243 /nfs/dbraw/zinc/01/02/43/372010243.db2.gz FZMRBFDIYJQHEH-DZGCQCFKSA-N 1 3 266.816 3.305 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000037643640 541865469 /nfs/dbraw/zinc/86/54/69/541865469.db2.gz MLADNOLBOGJIRM-YYIAUSFCSA-N 1 3 266.473 3.379 20 0 CGADHO Cc1ccsc1[C@@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000423529572 372072960 /nfs/dbraw/zinc/07/29/60/372072960.db2.gz OPYHEGLOTLWSEE-DGCLKSJQSA-N 1 3 252.427 3.225 20 0 CGADHO CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159027733 372100449 /nfs/dbraw/zinc/10/04/49/372100449.db2.gz HLAPITKTVASMFV-MSOLQXFVSA-N 1 3 272.436 3.381 20 0 CGADHO CC(C)[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159027733 372100454 /nfs/dbraw/zinc/10/04/54/372100454.db2.gz HLAPITKTVASMFV-MSOLQXFVSA-N 1 3 272.436 3.381 20 0 CGADHO C[NH2+]CC1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000430939373 372408090 /nfs/dbraw/zinc/40/80/90/372408090.db2.gz LBUMWZNRTMATBA-UHFFFAOYSA-N 1 3 298.883 3.364 20 0 CGADHO Fc1cccc(Cl)c1CCN1CCC2(CC[NH2+]C2)CC1 ZINC000431024717 372418085 /nfs/dbraw/zinc/41/80/85/372418085.db2.gz WFPONOCXKMLINZ-UHFFFAOYSA-N 1 3 296.817 3.097 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422995204 294718571 /nfs/dbraw/zinc/71/85/71/294718571.db2.gz XIFUCSDWAQPJDH-XDQVBPFNSA-N 1 3 272.383 3.075 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000163648166 372486019 /nfs/dbraw/zinc/48/60/19/372486019.db2.gz CRGOEJHNQCGYTR-FZMZJTMJSA-N 1 3 268.351 3.054 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000163648166 372486024 /nfs/dbraw/zinc/48/60/24/372486024.db2.gz CRGOEJHNQCGYTR-FZMZJTMJSA-N 1 3 268.351 3.054 20 0 CGADHO c1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000294118265 372586510 /nfs/dbraw/zinc/58/65/10/372586510.db2.gz KLZBDCJOIBKKLF-QRVBRYPASA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000294118265 372586514 /nfs/dbraw/zinc/58/65/14/372586514.db2.gz KLZBDCJOIBKKLF-QRVBRYPASA-N 1 3 284.447 3.397 20 0 CGADHO CC[C@@H](C[N@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000435446035 372764977 /nfs/dbraw/zinc/76/49/77/372764977.db2.gz IWKMYUDYMKLYBO-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@@H](C[N@@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000435446035 372764983 /nfs/dbraw/zinc/76/49/83/372764983.db2.gz IWKMYUDYMKLYBO-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@@H](CN(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446035 372764987 /nfs/dbraw/zinc/76/49/87/372764987.db2.gz IWKMYUDYMKLYBO-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO CCN(CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624760 372786311 /nfs/dbraw/zinc/78/63/11/372786311.db2.gz KCJPETDCDUWGAX-MRXNPFEDSA-N 1 3 294.414 3.059 20 0 CGADHO CC[N@H+](CCCOc1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000435624760 372786317 /nfs/dbraw/zinc/78/63/17/372786317.db2.gz KCJPETDCDUWGAX-MRXNPFEDSA-N 1 3 294.414 3.059 20 0 CGADHO CC[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000435624760 372786323 /nfs/dbraw/zinc/78/63/23/372786323.db2.gz KCJPETDCDUWGAX-MRXNPFEDSA-N 1 3 294.414 3.059 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295507192 372807399 /nfs/dbraw/zinc/80/73/99/372807399.db2.gz UPHIOHCWTBHDQK-IIDMSEBBSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295507192 372807408 /nfs/dbraw/zinc/80/74/08/372807408.db2.gz UPHIOHCWTBHDQK-IIDMSEBBSA-N 1 3 290.451 3.182 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295909507 372954813 /nfs/dbraw/zinc/95/48/13/372954813.db2.gz JEHAWZYQMUTWIP-ZDUSSCGKSA-N 1 3 295.858 3.290 20 0 CGADHO C[N@H+](CCCN1CCCCC1)CCOCc1ccccc1 ZINC000444595400 373206734 /nfs/dbraw/zinc/20/67/34/373206734.db2.gz JKOMCDBCCQHUAW-UHFFFAOYSA-N 1 3 290.451 3.011 20 0 CGADHO C[N@@H+](CCCN1CCCCC1)CCOCc1ccccc1 ZINC000444595400 373206746 /nfs/dbraw/zinc/20/67/46/373206746.db2.gz JKOMCDBCCQHUAW-UHFFFAOYSA-N 1 3 290.451 3.011 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000446884675 373374269 /nfs/dbraw/zinc/37/42/69/373374269.db2.gz QAKXRIBFVKLAEM-GUYCJALGSA-N 1 3 288.435 3.367 20 0 CGADHO CCC[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000447567165 373452800 /nfs/dbraw/zinc/45/28/00/373452800.db2.gz ZNQYAAGHVXSDES-QGZVFWFLSA-N 1 3 287.451 3.387 20 0 CGADHO Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000302233034 373837980 /nfs/dbraw/zinc/83/79/80/373837980.db2.gz YYJGEXICYVCPPF-KRWDZBQOSA-N 1 3 287.451 3.482 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CCN(C)CC1 ZINC000071307628 541895136 /nfs/dbraw/zinc/89/51/36/541895136.db2.gz ZRAQFLWIIPIOQF-SNVBAGLBSA-N 1 3 272.845 3.221 20 0 CGADHO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000180274626 373987290 /nfs/dbraw/zinc/98/72/90/373987290.db2.gz KRILIFVTSYDTMX-SQNIBIBYSA-N 1 3 297.446 3.100 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000311789551 374255374 /nfs/dbraw/zinc/25/53/74/374255374.db2.gz KBDMYVWMTUBSEW-OIISXLGYSA-N 1 3 260.425 3.361 20 0 CGADHO CC(C)C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1 ZINC000311789551 374255385 /nfs/dbraw/zinc/25/53/85/374255385.db2.gz KBDMYVWMTUBSEW-OIISXLGYSA-N 1 3 260.425 3.361 20 0 CGADHO CC/C=C/C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453331037 374426239 /nfs/dbraw/zinc/42/62/39/374426239.db2.gz VJBVQEIUNZNASG-LQYUOIDQSA-N 1 3 276.424 3.244 20 0 CGADHO CC/C=C/CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453331037 374426244 /nfs/dbraw/zinc/42/62/44/374426244.db2.gz VJBVQEIUNZNASG-LQYUOIDQSA-N 1 3 276.424 3.244 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2cnc(C)s2)CC1 ZINC000090408231 541960832 /nfs/dbraw/zinc/96/08/32/541960832.db2.gz JDPBERGBRAOSMK-LBPRGKRZSA-N 1 3 281.469 3.224 20 0 CGADHO C[NH+](C)CC1(CNCc2cccc3[nH]ccc32)CCCC1 ZINC000185291110 374629497 /nfs/dbraw/zinc/62/94/97/374629497.db2.gz GZGCPUHOVBEVSE-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO C[C@H]([NH2+][C@H]1C=CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000185694089 374715539 /nfs/dbraw/zinc/71/55/39/374715539.db2.gz YOMDBWMBNXTHSF-JYJNAYRXSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@H]1C=CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694089 374715548 /nfs/dbraw/zinc/71/55/48/374715548.db2.gz YOMDBWMBNXTHSF-JYJNAYRXSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@H]1C=CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694089 374715551 /nfs/dbraw/zinc/71/55/51/374715551.db2.gz YOMDBWMBNXTHSF-JYJNAYRXSA-N 1 3 262.441 3.338 20 0 CGADHO FC1(F)CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000334565944 374866527 /nfs/dbraw/zinc/86/65/27/374866527.db2.gz WOBBXGWNXNCHOO-CQSZACIVSA-N 1 3 295.377 3.218 20 0 CGADHO CSCCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000186782750 374915613 /nfs/dbraw/zinc/91/56/13/374915613.db2.gz GGIIKFDYLFOZSU-UHFFFAOYSA-N 1 3 272.502 3.372 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CCSCC1 ZINC000187033470 374960412 /nfs/dbraw/zinc/96/04/12/374960412.db2.gz DPBOHTQLXIJTND-LSDHHAIUSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C1CCSCC1)CN1CCCCC1 ZINC000187033451 374960599 /nfs/dbraw/zinc/96/05/99/374960599.db2.gz DPBOHTQLXIJTND-CABCVRRESA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCC1CC1)CN1CCCCC1 ZINC000469796553 374992386 /nfs/dbraw/zinc/99/23/86/374992386.db2.gz GWLFLUQMDUNYIR-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938615 375038219 /nfs/dbraw/zinc/03/82/19/375038219.db2.gz KQWMCWPRHCMPQE-WMZOPIPTSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938615 375038222 /nfs/dbraw/zinc/03/82/22/375038222.db2.gz KQWMCWPRHCMPQE-WMZOPIPTSA-N 1 3 290.426 3.489 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000474107481 375082293 /nfs/dbraw/zinc/08/22/93/375082293.db2.gz YAVCFTJVNILEOW-MAUKXSAKSA-N 1 3 290.451 3.214 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000474107481 375082298 /nfs/dbraw/zinc/08/22/98/375082298.db2.gz YAVCFTJVNILEOW-MAUKXSAKSA-N 1 3 290.451 3.214 20 0 CGADHO Cc1nccnc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000187777759 375093595 /nfs/dbraw/zinc/09/35/95/375093595.db2.gz USKPELCAXGRDBZ-LSDHHAIUSA-N 1 3 290.455 3.090 20 0 CGADHO Cc1nccnc1[C@@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000187777759 375093604 /nfs/dbraw/zinc/09/36/04/375093604.db2.gz USKPELCAXGRDBZ-LSDHHAIUSA-N 1 3 290.455 3.090 20 0 CGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@@H](C[NH3+])C1 ZINC000224196801 296226323 /nfs/dbraw/zinc/22/63/23/296226323.db2.gz YHKUHYSRBMIRCS-KBPBESRZSA-N 1 3 260.425 3.326 20 0 CGADHO CC(C)COc1cccc(C[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000491597034 375336114 /nfs/dbraw/zinc/33/61/14/375336114.db2.gz QNKSJMIURVDOFA-OAHLLOKOSA-N 1 3 278.440 3.009 20 0 CGADHO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccc2c1CCNC2 ZINC000123942266 542029136 /nfs/dbraw/zinc/02/91/36/542029136.db2.gz HTVARDWRMFNDPA-KBXCAEBGSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000123942266 542029138 /nfs/dbraw/zinc/02/91/38/542029138.db2.gz HTVARDWRMFNDPA-KBXCAEBGSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000336623968 375883757 /nfs/dbraw/zinc/88/37/57/375883757.db2.gz JWTUITBJRATMOF-NSHDSACASA-N 1 3 276.355 3.131 20 0 CGADHO COc1ccccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000534347008 375980305 /nfs/dbraw/zinc/98/03/05/375980305.db2.gz RJHLKFDXRJOKMC-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO COc1ccccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534347008 375980315 /nfs/dbraw/zinc/98/03/15/375980315.db2.gz RJHLKFDXRJOKMC-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)N(C)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000336789024 375938780 /nfs/dbraw/zinc/93/87/80/375938780.db2.gz RLAOIABZIHEAIV-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)c1 ZINC000537105594 376147154 /nfs/dbraw/zinc/14/71/54/376147154.db2.gz OCMKMSOEHSKUSV-WBVHZDCISA-N 1 3 260.425 3.438 20 0 CGADHO C[N@H+](CCCOCc1ccccc1)CCCN1CCCC1 ZINC000337232857 376154232 /nfs/dbraw/zinc/15/42/32/376154232.db2.gz VXSITFUVRMMFAI-UHFFFAOYSA-N 1 3 290.451 3.011 20 0 CGADHO C[N@@H+](CCCOCc1ccccc1)CCCN1CCCC1 ZINC000337232857 376154238 /nfs/dbraw/zinc/15/42/38/376154238.db2.gz VXSITFUVRMMFAI-UHFFFAOYSA-N 1 3 290.451 3.011 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)C1 ZINC000537296698 376161013 /nfs/dbraw/zinc/16/10/13/376161013.db2.gz YTVQPKUACMRTDN-QBPKDAKJSA-N 1 3 296.499 3.148 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694913 376124322 /nfs/dbraw/zinc/12/43/22/376124322.db2.gz COZUOCDEAVBIBD-NVXWUHKLSA-N 1 3 262.441 3.006 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000536694913 376124334 /nfs/dbraw/zinc/12/43/34/376124334.db2.gz COZUOCDEAVBIBD-NVXWUHKLSA-N 1 3 262.441 3.006 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337510200 376225863 /nfs/dbraw/zinc/22/58/63/376225863.db2.gz INWFFZHPWGRVSJ-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000538304397 376231826 /nfs/dbraw/zinc/23/18/26/376231826.db2.gz HSKTUQVKQCPMHN-CVEARBPZSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000538304397 376231830 /nfs/dbraw/zinc/23/18/30/376231830.db2.gz HSKTUQVKQCPMHN-CVEARBPZSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)[NH+]1CCC(NCCc2ccc(Cl)s2)CC1 ZINC000222849066 376242880 /nfs/dbraw/zinc/24/28/80/376242880.db2.gz JEIPLEUKJDHFMP-UHFFFAOYSA-N 1 3 286.872 3.406 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000539049810 376288679 /nfs/dbraw/zinc/28/86/79/376288679.db2.gz ZDDQNKQWCIZOKQ-AEFFLSMTSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226438712 376359666 /nfs/dbraw/zinc/35/96/66/376359666.db2.gz WHRGALNKPXTUJS-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000226438712 376359668 /nfs/dbraw/zinc/35/96/68/376359668.db2.gz WHRGALNKPXTUJS-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226438712 376359671 /nfs/dbraw/zinc/35/96/71/376359671.db2.gz WHRGALNKPXTUJS-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226438716 376360496 /nfs/dbraw/zinc/36/04/96/376360496.db2.gz WHRGALNKPXTUJS-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000226438716 376360501 /nfs/dbraw/zinc/36/05/01/376360501.db2.gz WHRGALNKPXTUJS-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226438716 376360508 /nfs/dbraw/zinc/36/05/08/376360508.db2.gz WHRGALNKPXTUJS-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000540505196 376378507 /nfs/dbraw/zinc/37/85/07/376378507.db2.gz VPJLSWOEXRKUDY-GDBMZVCRSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000540505196 376378508 /nfs/dbraw/zinc/37/85/08/376378508.db2.gz VPJLSWOEXRKUDY-GDBMZVCRSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000540505196 376378509 /nfs/dbraw/zinc/37/85/09/376378509.db2.gz VPJLSWOEXRKUDY-GDBMZVCRSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505196 376378510 /nfs/dbraw/zinc/37/85/10/376378510.db2.gz VPJLSWOEXRKUDY-GDBMZVCRSA-N 1 3 252.446 3.086 20 0 CGADHO FC1(F)CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000541232358 376428743 /nfs/dbraw/zinc/42/87/43/376428743.db2.gz FDIKLRMWXPDNBB-CQSZACIVSA-N 1 3 272.383 3.028 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3csc4ccccc34)C[C@@H]21 ZINC000230048741 376482563 /nfs/dbraw/zinc/48/25/63/376482563.db2.gz RGFGABTYEJBFNH-VBNZEHGJSA-N 1 3 286.444 3.461 20 0 CGADHO Cc1cc(OCCN2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C(C)C ZINC000228207720 376433168 /nfs/dbraw/zinc/43/31/68/376433168.db2.gz GMZSWVOOKLRXSO-JKSUJKDBSA-N 1 3 290.451 3.166 20 0 CGADHO CC(C)[N@H+](C)CCCNC1CC(c2ccccc2F)C1 ZINC000228813009 376449606 /nfs/dbraw/zinc/44/96/06/376449606.db2.gz MLYIDUFPLUSWSE-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)[N@@H+](C)CCCNC1CC(c2ccccc2F)C1 ZINC000228813009 376449618 /nfs/dbraw/zinc/44/96/18/376449618.db2.gz MLYIDUFPLUSWSE-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000228813009 376449630 /nfs/dbraw/zinc/44/96/30/376449630.db2.gz MLYIDUFPLUSWSE-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000541536161 376454926 /nfs/dbraw/zinc/45/49/26/376454926.db2.gz BQQAZPVUHVHDAD-IXDOHACOSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000541536161 376454934 /nfs/dbraw/zinc/45/49/34/376454934.db2.gz BQQAZPVUHVHDAD-IXDOHACOSA-N 1 3 266.473 3.476 20 0 CGADHO CN(Cc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000231669063 376564373 /nfs/dbraw/zinc/56/43/73/376564373.db2.gz GPKOCZYBHHZSPT-QGZVFWFLSA-N 1 3 268.404 3.414 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC000334317328 206358917 /nfs/dbraw/zinc/35/89/17/206358917.db2.gz UTHXFBQFJGLFSN-RYUDHWBXSA-N 1 3 260.406 3.070 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000234347939 376617163 /nfs/dbraw/zinc/61/71/63/376617163.db2.gz STGQJMSBHWGOKK-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO c1ccc2c(c1)nccc2NC1CC[NH+](C2CC2)CC1 ZINC000264636704 190124603 /nfs/dbraw/zinc/12/46/03/190124603.db2.gz LRUXQHLGBNGFCL-UHFFFAOYSA-N 1 3 267.376 3.274 20 0 CGADHO Cc1cccc(C)c1[C@H](C)NCC[C@@H]1CCC[N@@H+]1C ZINC000545518356 376828320 /nfs/dbraw/zinc/82/83/20/376828320.db2.gz IVJSQIBKARHDQC-HOTGVXAUSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@H](C)NCC[C@@H]1CCC[N@H+]1C ZINC000545518356 376828327 /nfs/dbraw/zinc/82/83/27/376828327.db2.gz IVJSQIBKARHDQC-HOTGVXAUSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000545518356 376828332 /nfs/dbraw/zinc/82/83/32/376828332.db2.gz IVJSQIBKARHDQC-HOTGVXAUSA-N 1 3 260.425 3.438 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245816478 376912996 /nfs/dbraw/zinc/91/29/96/376912996.db2.gz JKGMINLZAJNUQS-KBPBESRZSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245816478 376913004 /nfs/dbraw/zinc/91/30/04/376913004.db2.gz JKGMINLZAJNUQS-KBPBESRZSA-N 1 3 264.388 3.160 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056600 376957925 /nfs/dbraw/zinc/95/79/25/376957925.db2.gz QKOQUINOHAKEMN-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056600 376957932 /nfs/dbraw/zinc/95/79/32/376957932.db2.gz QKOQUINOHAKEMN-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000246056600 376957938 /nfs/dbraw/zinc/95/79/38/376957938.db2.gz QKOQUINOHAKEMN-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO C1=CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246087989 376963686 /nfs/dbraw/zinc/96/36/86/376963686.db2.gz IKGAFDHMGLYAOG-LZLYRXPVSA-N 1 3 274.452 3.291 20 0 CGADHO C1=CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246087989 376963693 /nfs/dbraw/zinc/96/36/93/376963693.db2.gz IKGAFDHMGLYAOG-LZLYRXPVSA-N 1 3 274.452 3.291 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000246112403 376969550 /nfs/dbraw/zinc/96/95/50/376969550.db2.gz CEVFCDRLMMKMOA-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000246112403 376969554 /nfs/dbraw/zinc/96/95/54/376969554.db2.gz CEVFCDRLMMKMOA-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112403 376969557 /nfs/dbraw/zinc/96/95/57/376969557.db2.gz CEVFCDRLMMKMOA-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112403 376969561 /nfs/dbraw/zinc/96/95/61/376969561.db2.gz CEVFCDRLMMKMOA-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO C[C@@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246221852 376991802 /nfs/dbraw/zinc/99/18/02/376991802.db2.gz QPVIRJYQBTXIBC-IRXDYDNUSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)c1ccccc1 ZINC000246221852 376991805 /nfs/dbraw/zinc/99/18/05/376991805.db2.gz QPVIRJYQBTXIBC-IRXDYDNUSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)c1ccccc1 ZINC000246221852 376991812 /nfs/dbraw/zinc/99/18/12/376991812.db2.gz QPVIRJYQBTXIBC-IRXDYDNUSA-N 1 3 272.436 3.208 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccncc1F ZINC000340464677 377073966 /nfs/dbraw/zinc/07/39/66/377073966.db2.gz RXHZSLPYHWYTEJ-KBPBESRZSA-N 1 3 281.419 3.382 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000340491762 377097182 /nfs/dbraw/zinc/09/71/82/377097182.db2.gz QBYVPLHDXZCOIY-FHLIZLRMSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000340491762 377097191 /nfs/dbraw/zinc/09/71/91/377097191.db2.gz QBYVPLHDXZCOIY-FHLIZLRMSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@]3(C)CCCO3)CC2)C1 ZINC000247027685 377143266 /nfs/dbraw/zinc/14/32/66/377143266.db2.gz LDVGJYILTBBHST-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@]3(C)CCCO3)CC2)C1 ZINC000247027685 377143277 /nfs/dbraw/zinc/14/32/77/377143277.db2.gz LDVGJYILTBBHST-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC000247180676 377171600 /nfs/dbraw/zinc/17/16/00/377171600.db2.gz VENVBUKZZVTCEU-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC000247180676 377171609 /nfs/dbraw/zinc/17/16/09/377171609.db2.gz VENVBUKZZVTCEU-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000247180676 377171614 /nfs/dbraw/zinc/17/16/14/377171614.db2.gz VENVBUKZZVTCEU-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1C ZINC000249711212 377524335 /nfs/dbraw/zinc/52/43/35/377524335.db2.gz DYQIWAYNOSOMIZ-XLBHYRNJSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1C ZINC000249711212 377524338 /nfs/dbraw/zinc/52/43/38/377524338.db2.gz DYQIWAYNOSOMIZ-XLBHYRNJSA-N 1 3 250.430 3.291 20 0 CGADHO Clc1sccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000312747051 249082601 /nfs/dbraw/zinc/08/26/01/249082601.db2.gz POIQPQQZSVQVHC-LLVKDONJSA-N 1 3 258.818 3.023 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000339189037 249102123 /nfs/dbraw/zinc/10/21/23/249102123.db2.gz FVPKCPGPQWRGQE-CYBMUJFWSA-N 1 3 266.816 3.080 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc(C)c1OC(F)F ZINC000469865557 249160434 /nfs/dbraw/zinc/16/04/34/249160434.db2.gz VVYUSIPPZDMXNZ-JSGCOSHPSA-N 1 3 298.377 3.074 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428045532 249130855 /nfs/dbraw/zinc/13/08/55/249130855.db2.gz QIHOLACNYMEFBI-ICSRJNTNSA-N 1 3 294.442 3.456 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCC2)C12CCCC2 ZINC000250479363 377559741 /nfs/dbraw/zinc/55/97/41/377559741.db2.gz FLVMAWXIQGNVQO-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000469988533 249164550 /nfs/dbraw/zinc/16/45/50/249164550.db2.gz BWZHSDSFMRKFQY-USXIJHARSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000469988533 249164552 /nfs/dbraw/zinc/16/45/52/249164552.db2.gz BWZHSDSFMRKFQY-USXIJHARSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000469988533 249164557 /nfs/dbraw/zinc/16/45/57/249164557.db2.gz BWZHSDSFMRKFQY-USXIJHARSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)C(C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C(C)C ZINC000515010910 249198382 /nfs/dbraw/zinc/19/83/82/249198382.db2.gz AJYCDNCWIQECIK-HUUCEWRRSA-N 1 3 254.462 3.377 20 0 CGADHO C[C@@H](c1ccccc1Cl)N(C)CC[C@H]1CC[NH2+]C1 ZINC000251539354 377586748 /nfs/dbraw/zinc/58/67/48/377586748.db2.gz OIAHMAFEDFWVRR-QWHCGFSZSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000517722828 249270298 /nfs/dbraw/zinc/27/02/98/249270298.db2.gz UQPYPVYQXIQVOA-XYPHTWIQSA-N 1 3 294.414 3.168 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000518771004 249286143 /nfs/dbraw/zinc/28/61/43/249286143.db2.gz GZCNXLJMSJJYBC-GOSISDBHSA-N 1 3 298.455 3.266 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000573981072 377603490 /nfs/dbraw/zinc/60/34/90/377603490.db2.gz IMXLZQMDSCWYAS-MHORFTMASA-N 1 3 288.435 3.075 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]CCCN1CCCC[C@H]1C ZINC000252455450 377623791 /nfs/dbraw/zinc/62/37/91/377623791.db2.gz SQJUPKJVEOBVJZ-HZPDHXFCSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@H](CCc1ccco1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252455450 377623796 /nfs/dbraw/zinc/62/37/96/377623796.db2.gz SQJUPKJVEOBVJZ-HZPDHXFCSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@H](CCc1ccco1)NCCC[N@H+]1CCCC[C@H]1C ZINC000252455450 377623805 /nfs/dbraw/zinc/62/38/05/377623805.db2.gz SQJUPKJVEOBVJZ-HZPDHXFCSA-N 1 3 278.440 3.455 20 0 CGADHO CC[C@H]1Cc2ccccc2CN1CC[C@H]1CCC[N@@H+]1C ZINC000342353709 377642513 /nfs/dbraw/zinc/64/25/13/377642513.db2.gz DZCVCIXIEVWOCL-ZWKOTPCHSA-N 1 3 272.436 3.308 20 0 CGADHO CC[C@H]1Cc2ccccc2CN1CC[C@H]1CCC[N@H+]1C ZINC000342353709 377642515 /nfs/dbraw/zinc/64/25/15/377642515.db2.gz DZCVCIXIEVWOCL-ZWKOTPCHSA-N 1 3 272.436 3.308 20 0 CGADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000252708371 377652635 /nfs/dbraw/zinc/65/26/35/377652635.db2.gz ZXSKECKRHFDLFV-JHJVBQTASA-N 1 3 278.362 3.229 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000253178826 377679835 /nfs/dbraw/zinc/67/98/35/377679835.db2.gz CEYIQWQBSDKRSI-SMDDNHRTSA-N 1 3 268.351 3.041 20 0 CGADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cc(Cl)ccc1F ZINC000260134297 377806821 /nfs/dbraw/zinc/80/68/21/377806821.db2.gz QCPLRMWSPBJOTL-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H](C)N ZINC000261546327 377816913 /nfs/dbraw/zinc/81/69/13/377816913.db2.gz KUNIWWLPRZXIDT-LSDHHAIUSA-N 1 3 284.403 3.091 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261702381 377841091 /nfs/dbraw/zinc/84/10/91/377841091.db2.gz OLFKGEOCCMEGOT-DZGBDDFRSA-N 1 3 298.352 3.436 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261681100 377839396 /nfs/dbraw/zinc/83/93/96/377839396.db2.gz IIIUGLSIMZFFPV-MOPGFXCFSA-N 1 3 280.415 3.169 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)cc1 ZINC000261681100 377839401 /nfs/dbraw/zinc/83/94/01/377839401.db2.gz IIIUGLSIMZFFPV-MOPGFXCFSA-N 1 3 280.415 3.169 20 0 CGADHO CCCN(CCc1cccc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261982857 377875214 /nfs/dbraw/zinc/87/52/14/377875214.db2.gz JJAGMEHWKCEIQG-KRWDZBQOSA-N 1 3 278.415 3.080 20 0 CGADHO C[C@@]1(CN2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007828 377878614 /nfs/dbraw/zinc/87/86/14/377878614.db2.gz LZIBISMKZBDBKN-GOEBONIOSA-N 1 3 278.827 3.129 20 0 CGADHO CC[N@H+](C[C@H](C)c1ccccc1)[C@@H]1CCCNCC1 ZINC000262037066 377883067 /nfs/dbraw/zinc/88/30/67/377883067.db2.gz XVCZNNIVWZIJQW-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H]1CCCNCC1 ZINC000262037066 377883070 /nfs/dbraw/zinc/88/30/70/377883070.db2.gz XVCZNNIVWZIJQW-DOTOQJQBSA-N 1 3 260.425 3.254 20 0 CGADHO CCCN(CCc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000262050789 377884733 /nfs/dbraw/zinc/88/47/33/377884733.db2.gz QEHKBXNIDPNAHW-OAHLLOKOSA-N 1 3 266.454 3.002 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCc1cccc2ccccc21 ZINC000261736688 377847904 /nfs/dbraw/zinc/84/79/04/377847904.db2.gz LOZCIEUWBKPWAX-QGZVFWFLSA-N 1 3 268.404 3.318 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000261736688 377847911 /nfs/dbraw/zinc/84/79/11/377847911.db2.gz LOZCIEUWBKPWAX-QGZVFWFLSA-N 1 3 268.404 3.318 20 0 CGADHO CCC[N@H+](Cc1ccc(OCC)c(F)c1)C1CCNCC1 ZINC000261825419 377857742 /nfs/dbraw/zinc/85/77/42/377857742.db2.gz IRRVXSWJIKMSNK-UHFFFAOYSA-N 1 3 294.414 3.188 20 0 CGADHO CCC[N@@H+](Cc1ccc(OCC)c(F)c1)C1CCNCC1 ZINC000261825419 377857748 /nfs/dbraw/zinc/85/77/48/377857748.db2.gz IRRVXSWJIKMSNK-UHFFFAOYSA-N 1 3 294.414 3.188 20 0 CGADHO Cc1ccc(-c2cc(CN3CCC([C@H](C)[NH3+])CC3)on2)cc1 ZINC000261841778 377858717 /nfs/dbraw/zinc/85/87/17/377858717.db2.gz COMMGZXJOIZFQO-AWEZNQCLSA-N 1 3 299.418 3.209 20 0 CGADHO CC(C)[NH2+]C1CCN(c2ccnc3ccccc32)CC1 ZINC000264940582 377994899 /nfs/dbraw/zinc/99/48/99/377994899.db2.gz IEDKBGNCSWJOER-UHFFFAOYSA-N 1 3 269.392 3.202 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC000575956531 378003445 /nfs/dbraw/zinc/00/34/45/378003445.db2.gz WQQMNPLIZLSLBX-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000575956531 378003453 /nfs/dbraw/zinc/00/34/53/378003453.db2.gz WQQMNPLIZLSLBX-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000578248046 378051799 /nfs/dbraw/zinc/05/17/99/378051799.db2.gz SAOGYLQMPFVLPB-MGPQQGTHSA-N 1 3 286.341 3.192 20 0 CGADHO CCc1cccc(OCCN(CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000345174999 378213094 /nfs/dbraw/zinc/21/30/94/378213094.db2.gz DQAZRHIANWGRRU-QGZVFWFLSA-N 1 3 290.451 3.092 20 0 CGADHO C[C@H](N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000580062900 378220496 /nfs/dbraw/zinc/22/04/96/378220496.db2.gz ZLIFWPAPHHBSJU-GWIFVGGISA-N 1 3 294.389 3.189 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CCCNC1 ZINC000580062900 378220502 /nfs/dbraw/zinc/22/05/02/378220502.db2.gz ZLIFWPAPHHBSJU-GWIFVGGISA-N 1 3 294.389 3.189 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000269989111 378291286 /nfs/dbraw/zinc/29/12/86/378291286.db2.gz UFPFOZOLPKNBSO-RYUDHWBXSA-N 1 3 284.856 3.160 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000269989111 378291290 /nfs/dbraw/zinc/29/12/90/378291290.db2.gz UFPFOZOLPKNBSO-RYUDHWBXSA-N 1 3 284.856 3.160 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273745 378317536 /nfs/dbraw/zinc/31/75/36/378317536.db2.gz ZRKJZDJQZDVHIM-KBPBESRZSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273745 378317538 /nfs/dbraw/zinc/31/75/38/378317538.db2.gz ZRKJZDJQZDVHIM-KBPBESRZSA-N 1 3 287.234 3.395 20 0 CGADHO CCCCOc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000583763681 378346146 /nfs/dbraw/zinc/34/61/46/378346146.db2.gz HUUIFZBMZPCQCF-HZPDHXFCSA-N 1 3 276.424 3.225 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181772 378474222 /nfs/dbraw/zinc/47/42/22/378474222.db2.gz HXWJPZBGFYRCAR-WMLDXEAASA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000271181772 378474227 /nfs/dbraw/zinc/47/42/27/378474227.db2.gz HXWJPZBGFYRCAR-WMLDXEAASA-N 1 3 285.435 3.330 20 0 CGADHO COc1cccc(C)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000637965852 378649324 /nfs/dbraw/zinc/64/93/24/378649324.db2.gz WGLSEZQAULFPJT-UHFFFAOYSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347952071 378737280 /nfs/dbraw/zinc/73/72/80/378737280.db2.gz JUBOLRIJMVEXHA-LZLYRXPVSA-N 1 3 294.483 3.188 20 0 CGADHO CSC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847693 378727035 /nfs/dbraw/zinc/72/70/35/378727035.db2.gz PIHUKCCSTYSRDK-JKSUJKDBSA-N 1 3 296.524 3.468 20 0 CGADHO CSC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847693 378727043 /nfs/dbraw/zinc/72/70/43/378727043.db2.gz PIHUKCCSTYSRDK-JKSUJKDBSA-N 1 3 296.524 3.468 20 0 CGADHO CCOC1CC(C[NH2+]CCCN(C)C2CCCCC2)C1 ZINC000638302330 378762051 /nfs/dbraw/zinc/76/20/51/378762051.db2.gz SRLIIOADWLBVIE-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)[C@@H](CNCCC[C@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349554 378774932 /nfs/dbraw/zinc/77/49/32/378774932.db2.gz QBARLMOJBKBUKM-DLBZAZTESA-N 1 3 282.472 3.046 20 0 CGADHO CCC[C@@H](CNC1CC[NH+](CC2CCCC2)CC1)OC ZINC000638454667 378809652 /nfs/dbraw/zinc/80/96/52/378809652.db2.gz MIPVDDUHXQLMKT-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[C@@H](C[NH2+]C1CCN(CC2CCCC2)CC1)OC ZINC000638454667 378809657 /nfs/dbraw/zinc/80/96/57/378809657.db2.gz MIPVDDUHXQLMKT-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414903578 296281742 /nfs/dbraw/zinc/28/17/42/296281742.db2.gz IPMDDZNSEUHINX-FMKPAKJESA-N 1 3 252.446 3.181 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000566529986 322128526 /nfs/dbraw/zinc/12/85/26/322128526.db2.gz ZGOGFCBPSBKTJC-UHFFFAOYSA-N 1 3 256.340 3.008 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000566529986 322128527 /nfs/dbraw/zinc/12/85/27/322128527.db2.gz ZGOGFCBPSBKTJC-UHFFFAOYSA-N 1 3 256.340 3.008 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]CC2(C(C)C)CC2)C1 ZINC000638566972 378837832 /nfs/dbraw/zinc/83/78/32/378837832.db2.gz UUQZSXACRXDTFA-HNNXBMFYSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)COc1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000347024427 218097231 /nfs/dbraw/zinc/09/72/31/218097231.db2.gz RBUOFSRJMUIKIN-OAHLLOKOSA-N 1 3 290.451 3.281 20 0 CGADHO CCCOc1cccc(CN(CCC)C2CC[NH2+]CC2)c1 ZINC000347068367 218111302 /nfs/dbraw/zinc/11/13/02/218111302.db2.gz NSHPCHOTCJIONU-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCCOc1cccc(C[N@H+](CCC)C2CCNCC2)c1 ZINC000347068367 218111304 /nfs/dbraw/zinc/11/13/04/218111304.db2.gz NSHPCHOTCJIONU-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCCOc1cccc(C[N@@H+](CCC)C2CCNCC2)c1 ZINC000347068367 218111306 /nfs/dbraw/zinc/11/13/06/218111306.db2.gz NSHPCHOTCJIONU-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000370580789 379035380 /nfs/dbraw/zinc/03/53/80/379035380.db2.gz XNGOQUJYKOYFSK-TXCZRRACSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000370580789 379035385 /nfs/dbraw/zinc/03/53/85/379035385.db2.gz XNGOQUJYKOYFSK-TXCZRRACSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@H](NC1CC(F)(F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000277170056 379088722 /nfs/dbraw/zinc/08/87/22/379088722.db2.gz RVSBOXMBSQCGBL-LBPRGKRZSA-N 1 3 298.377 3.075 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277205883 379098297 /nfs/dbraw/zinc/09/82/97/379098297.db2.gz MXXUVNRTTCZUPV-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277205883 379098304 /nfs/dbraw/zinc/09/83/04/379098304.db2.gz MXXUVNRTTCZUPV-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1C[C@H]1C ZINC000348971237 379126859 /nfs/dbraw/zinc/12/68/59/379126859.db2.gz XYGDHRIEJJZBGB-RHSMWYFYSA-N 1 3 260.425 3.226 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1C[C@H]1C ZINC000348971237 379126871 /nfs/dbraw/zinc/12/68/71/379126871.db2.gz XYGDHRIEJJZBGB-RHSMWYFYSA-N 1 3 260.425 3.226 20 0 CGADHO C1=CC[C@H](CN2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000372405425 379194516 /nfs/dbraw/zinc/19/45/16/379194516.db2.gz VFIWKXCJFMESAV-HNNXBMFYSA-N 1 3 262.441 3.339 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1cccc(COC)c1 ZINC000349386380 379263671 /nfs/dbraw/zinc/26/36/71/379263671.db2.gz SELIQIAQIFNHSA-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1cccc(COC)c1 ZINC000349386380 379263683 /nfs/dbraw/zinc/26/36/83/379263683.db2.gz SELIQIAQIFNHSA-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cc(C)sc1C ZINC000349670809 379338066 /nfs/dbraw/zinc/33/80/66/379338066.db2.gz WCDWWIDKJZKQIE-AWEZNQCLSA-N 1 3 298.496 3.374 20 0 CGADHO CCC1([NH+](C)C)CCN(C[C@]2(C)CCCS2)CC1 ZINC000639379174 379338302 /nfs/dbraw/zinc/33/83/02/379338302.db2.gz VBSNVVKTWBZNTE-AWEZNQCLSA-N 1 3 270.486 3.078 20 0 CGADHO CCC1(N(C)C)CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000639379174 379338311 /nfs/dbraw/zinc/33/83/11/379338311.db2.gz VBSNVVKTWBZNTE-AWEZNQCLSA-N 1 3 270.486 3.078 20 0 CGADHO C1=CO[C@@H](CNC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000376258018 379531813 /nfs/dbraw/zinc/53/18/13/379531813.db2.gz MPIYAVOQJDNQDU-GOSISDBHSA-N 1 3 292.467 3.313 20 0 CGADHO C1=CO[C@@H](C[NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000376258018 379531822 /nfs/dbraw/zinc/53/18/22/379531822.db2.gz MPIYAVOQJDNQDU-GOSISDBHSA-N 1 3 292.467 3.313 20 0 CGADHO CC(C)[C@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000280454053 379710031 /nfs/dbraw/zinc/71/00/31/379710031.db2.gz ZCEVEWGXTZWVSF-SFHVURJKSA-N 1 3 272.436 3.278 20 0 CGADHO C[C@@H](C[N@@H+]1CCCC[C@@H]1CCN)c1ccc(F)cc1 ZINC000352527340 379845220 /nfs/dbraw/zinc/84/52/20/379845220.db2.gz ZBNKTMDHKOAMOU-XJKSGUPXSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@@H](C[N@H+]1CCCC[C@@H]1CCN)c1ccc(F)cc1 ZINC000352527340 379845225 /nfs/dbraw/zinc/84/52/25/379845225.db2.gz ZBNKTMDHKOAMOU-XJKSGUPXSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@@H](CN1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527340 379845232 /nfs/dbraw/zinc/84/52/32/379845232.db2.gz ZBNKTMDHKOAMOU-XJKSGUPXSA-N 1 3 264.388 3.133 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000282369738 379905997 /nfs/dbraw/zinc/90/59/97/379905997.db2.gz WMYLESFNGYAWEJ-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643031856 380204832 /nfs/dbraw/zinc/20/48/32/380204832.db2.gz YNSOGFLBGRVXOP-CRAIPNDOSA-N 1 3 295.430 3.376 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@@H]1C ZINC000414119806 380192387 /nfs/dbraw/zinc/19/23/87/380192387.db2.gz WXRXQMNQEOWTJP-XKQJLSEDSA-N 1 3 264.457 3.418 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCCOc3ccccc32)C1 ZINC000414200955 380201177 /nfs/dbraw/zinc/20/11/77/380201177.db2.gz XXYVIPRJLMMINX-RDJZCZTQSA-N 1 3 288.435 3.222 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCCOc3ccccc32)C1 ZINC000414200955 380201178 /nfs/dbraw/zinc/20/11/78/380201178.db2.gz XXYVIPRJLMMINX-RDJZCZTQSA-N 1 3 288.435 3.222 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643502850 380326006 /nfs/dbraw/zinc/32/60/06/380326006.db2.gz TYWGLJAJPHWHND-BRWVUGGUSA-N 1 3 287.451 3.148 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)CN)c1cccc2ccccc21 ZINC000643514829 380335518 /nfs/dbraw/zinc/33/55/18/380335518.db2.gz ODMGDKDABUEXHT-SUMWQHHRSA-N 1 3 256.393 3.475 20 0 CGADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643514829 380335520 /nfs/dbraw/zinc/33/55/20/380335520.db2.gz ODMGDKDABUEXHT-SUMWQHHRSA-N 1 3 256.393 3.475 20 0 CGADHO C[C@H](NCCCCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000643458407 380309835 /nfs/dbraw/zinc/30/98/35/380309835.db2.gz VRMUHQHFFGVWKU-DOTOQJQBSA-N 1 3 260.425 3.130 20 0 CGADHO C1CC1[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643549047 380366491 /nfs/dbraw/zinc/36/64/91/380366491.db2.gz ZKUYDNATRJFKQM-CVEARBPZSA-N 1 3 262.441 3.220 20 0 CGADHO CCCC[C@@H](CC)CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414771698 380396478 /nfs/dbraw/zinc/39/64/78/380396478.db2.gz AGYOJMUBPWJVPU-SJORKVTESA-N 1 3 296.499 3.280 20 0 CGADHO CCCC[C@@H](CC)CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414771698 380396488 /nfs/dbraw/zinc/39/64/88/380396488.db2.gz AGYOJMUBPWJVPU-SJORKVTESA-N 1 3 296.499 3.280 20 0 CGADHO Fc1cccc(Cl)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771769 380396647 /nfs/dbraw/zinc/39/66/47/380396647.db2.gz AMRHQRGEAKPIOL-STQMWFEESA-N 1 3 296.817 3.301 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(Oc2ccccc2)cc1 ZINC000643525888 380340140 /nfs/dbraw/zinc/34/01/40/380340140.db2.gz GTDFRWBTPKTLIM-UONOGXRCSA-N 1 3 270.376 3.477 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000643528192 380344246 /nfs/dbraw/zinc/34/42/46/380344246.db2.gz FIZGANQYMSLDOX-CABCVRRESA-N 1 3 284.403 3.263 20 0 CGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H](C)N ZINC000643528861 380345144 /nfs/dbraw/zinc/34/51/44/380345144.db2.gz QGKNOVWKMDOZDT-NEPJUHHUSA-N 1 3 289.448 3.425 20 0 CGADHO Cc1cc(F)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000414766486 380394736 /nfs/dbraw/zinc/39/47/36/380394736.db2.gz HQWIMPJTUZFAKC-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO CC1(C)Cc2occc2[C@@H](N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000643537115 380353757 /nfs/dbraw/zinc/35/37/57/380353757.db2.gz ZLSSSVMVWUBQFH-DZGCQCFKSA-N 1 3 274.408 3.025 20 0 CGADHO Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000354178742 380354752 /nfs/dbraw/zinc/35/47/52/380354752.db2.gz XSEQJKVTXUYICK-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000354178742 380354757 /nfs/dbraw/zinc/35/47/57/380354757.db2.gz XSEQJKVTXUYICK-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000643546610 380359120 /nfs/dbraw/zinc/35/91/20/380359120.db2.gz RPDDMXCFVSMGOI-GOEBONIOSA-N 1 3 258.409 3.320 20 0 CGADHO CC(C)[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccnc1 ZINC000643547281 380361762 /nfs/dbraw/zinc/36/17/62/380361762.db2.gz CCBUYWUXKOAYAN-JKSUJKDBSA-N 1 3 273.424 3.043 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829953 380438607 /nfs/dbraw/zinc/43/86/07/380438607.db2.gz BRDNWOMQCCOGTK-RYUDHWBXSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829953 380438612 /nfs/dbraw/zinc/43/86/12/380438612.db2.gz BRDNWOMQCCOGTK-RYUDHWBXSA-N 1 3 288.357 3.082 20 0 CGADHO Clc1ccc(Cl)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414831767 380440204 /nfs/dbraw/zinc/44/02/04/380440204.db2.gz NVXMDCXCFLDONX-SNVBAGLBSA-N 1 3 273.207 3.083 20 0 CGADHO CNC[C@@H](C)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414838096 380446348 /nfs/dbraw/zinc/44/63/48/380446348.db2.gz KUGTWCUVRXPFCQ-ODIFPOPNSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414845502 380449817 /nfs/dbraw/zinc/44/98/17/380449817.db2.gz DPELKUYSAVCGFV-CAOSSQGBSA-N 1 3 254.462 3.425 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000414854018 380455465 /nfs/dbraw/zinc/45/54/65/380455465.db2.gz LSXNDUADGOKMBP-NJAFHUGGSA-N 1 3 272.436 3.086 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+]C[C@H](N)C(C)C)cc1 ZINC000414787233 380404755 /nfs/dbraw/zinc/40/47/55/380404755.db2.gz BZWNIEJJXGEPJH-SFHVURJKSA-N 1 3 298.430 3.435 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc2ccccc2s1 ZINC000414791294 380406800 /nfs/dbraw/zinc/40/68/00/380406800.db2.gz HNWMVRXZMGZOQK-JSGCOSHPSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414791294 380406803 /nfs/dbraw/zinc/40/68/03/380406803.db2.gz HNWMVRXZMGZOQK-JSGCOSHPSA-N 1 3 260.406 3.118 20 0 CGADHO C[NH2+]C[C@H](C)CNCCCc1c(Cl)cccc1Cl ZINC000414853417 380456264 /nfs/dbraw/zinc/45/62/64/380456264.db2.gz SJWMMEDXJPEJSS-NSHDSACASA-N 1 3 289.250 3.371 20 0 CGADHO CNC[C@H](C)C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414853417 380456269 /nfs/dbraw/zinc/45/62/69/380456269.db2.gz SJWMMEDXJPEJSS-NSHDSACASA-N 1 3 289.250 3.371 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1cccc(F)c1 ZINC000414810143 380422328 /nfs/dbraw/zinc/42/23/28/380422328.db2.gz NPYXZYBPGGZNDN-CYBMUJFWSA-N 1 3 266.404 3.254 20 0 CGADHO Fc1cccc(Cl)c1CCCNCC[C@H]1CCC[NH2+]1 ZINC000414911566 380485659 /nfs/dbraw/zinc/48/56/59/380485659.db2.gz WKYKMXYNEWPQMV-GFCCVEGCSA-N 1 3 284.806 3.143 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414922647 380488780 /nfs/dbraw/zinc/48/87/80/380488780.db2.gz GHBKEFHHURDULY-NRSFXHEJSA-N 1 3 272.436 3.084 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000414918617 380488840 /nfs/dbraw/zinc/48/88/40/380488840.db2.gz SLGWTXCRXGDYBO-HRCADAONSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414944703 380500562 /nfs/dbraw/zinc/50/05/62/380500562.db2.gz QGUGPHUYBBVKAH-BARLLCKDSA-N 1 3 286.463 3.475 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)CC1CCCCC1 ZINC000414945532 380500885 /nfs/dbraw/zinc/50/08/85/380500885.db2.gz INAOQDBCLWHEBG-LZWOXQAQSA-N 1 3 252.446 3.323 20 0 CGADHO Clc1ccc(C2(CN[C@H]3CCC[NH2+]CC3)CCC2)cc1 ZINC000415075029 380507620 /nfs/dbraw/zinc/50/76/20/380507620.db2.gz DRGZNRSRHNUDMT-INIZCTEOSA-N 1 3 292.854 3.493 20 0 CGADHO Clc1ccc(C2(C[NH2+][C@H]3CCCNCC3)CCC2)cc1 ZINC000415075029 380507623 /nfs/dbraw/zinc/50/76/23/380507623.db2.gz DRGZNRSRHNUDMT-INIZCTEOSA-N 1 3 292.854 3.493 20 0 CGADHO CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000414860500 380462272 /nfs/dbraw/zinc/46/22/72/380462272.db2.gz VUHLFTFRTKTZNF-BFYDXBDKSA-N 1 3 260.425 3.158 20 0 CGADHO CNCCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414862113 380463643 /nfs/dbraw/zinc/46/36/43/380463643.db2.gz UTILJVMRYKQTRV-UHFFFAOYSA-N 1 3 260.425 3.160 20 0 CGADHO [NH3+]C1(CNCCCc2c(Cl)cccc2Cl)CCC1 ZINC000414871642 380466942 /nfs/dbraw/zinc/46/69/42/380466942.db2.gz DRYSWOCPLJHOII-UHFFFAOYSA-N 1 3 287.234 3.397 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414880410 380472100 /nfs/dbraw/zinc/47/21/00/380472100.db2.gz QQFRLCOISAGVMT-MRVPVSSYSA-N 1 3 280.721 3.043 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(F)c(-c2cccs2)c1 ZINC000414883775 380474580 /nfs/dbraw/zinc/47/45/80/380474580.db2.gz NLXRPGCJWJFCKH-NSHDSACASA-N 1 3 278.396 3.381 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414900577 380479557 /nfs/dbraw/zinc/47/95/57/380479557.db2.gz DXMILHCUGPJWPW-BBRMVZONSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414900577 380479564 /nfs/dbraw/zinc/47/95/64/380479564.db2.gz DXMILHCUGPJWPW-BBRMVZONSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCSCC1 ZINC000355135876 380593177 /nfs/dbraw/zinc/59/31/77/380593177.db2.gz OXNJQYFHTWNHLO-AWEZNQCLSA-N 1 3 284.513 3.230 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000645474374 380686741 /nfs/dbraw/zinc/68/67/41/380686741.db2.gz OAKPDLWGHCTBLU-FPCVCCKLSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CC(C)(C)OC1(C)C)C(C)C ZINC000355720044 380758158 /nfs/dbraw/zinc/75/81/58/380758158.db2.gz HZAUBDXSZJJRIU-HNNXBMFYSA-N 1 3 284.488 3.431 20 0 CGADHO CCSCCNC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000355736996 380763938 /nfs/dbraw/zinc/76/39/38/380763938.db2.gz PSGGLCZDAANIBO-OAHLLOKOSA-N 1 3 272.502 3.230 20 0 CGADHO Clc1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357052476 381013334 /nfs/dbraw/zinc/01/33/34/381013334.db2.gz NRYAFEBQGBJRCK-CQSZACIVSA-N 1 3 278.827 3.162 20 0 CGADHO CSc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357056195 381015468 /nfs/dbraw/zinc/01/54/68/381015468.db2.gz RYOCZQLDHHINOG-MRXNPFEDSA-N 1 3 290.476 3.230 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CCN1 ZINC000334861343 207203095 /nfs/dbraw/zinc/20/30/95/207203095.db2.gz BBTGDFANZNLWQO-BBRMVZONSA-N 1 3 254.377 3.070 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C4CC4)cc3)C[C@@H]21 ZINC000230126459 542303256 /nfs/dbraw/zinc/30/32/56/542303256.db2.gz TWKYPWZGCJWARK-FGTMMUONSA-N 1 3 270.420 3.123 20 0 CGADHO COc1cccc(Cl)c1CN[C@@H](C)C1CC[NH+](C)CC1 ZINC000234926580 542309775 /nfs/dbraw/zinc/30/97/75/542309775.db2.gz JSVWGOUDNSNOFZ-LBPRGKRZSA-N 1 3 296.842 3.169 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252723139 542351031 /nfs/dbraw/zinc/35/10/31/542351031.db2.gz STTWAAKSLLRSKK-SJLPKXTDSA-N 1 3 272.436 3.267 20 0 CGADHO C[NH2+]C1CCN([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000335268236 208064502 /nfs/dbraw/zinc/06/45/02/208064502.db2.gz FARFOVYEIZYBQH-MSOLQXFVSA-N 1 3 272.436 3.181 20 0 CGADHO CNC1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000335268236 208064507 /nfs/dbraw/zinc/06/45/07/208064507.db2.gz FARFOVYEIZYBQH-MSOLQXFVSA-N 1 3 272.436 3.181 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271815530 542366895 /nfs/dbraw/zinc/36/68/95/542366895.db2.gz BJRGEYNXFWODKM-ZDUSSCGKSA-N 1 3 276.449 3.321 20 0 CGADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000337403469 285180160 /nfs/dbraw/zinc/18/01/60/285180160.db2.gz QYSNUDUFUPUEAA-QZTJIDSGSA-N 1 3 290.451 3.043 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)c2ccccc12 ZINC000423392712 533174837 /nfs/dbraw/zinc/17/48/37/533174837.db2.gz LTOAGNJORAAXMH-QWQRMKEZSA-N 1 3 298.430 3.497 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)c2ccccc12 ZINC000423392712 533174841 /nfs/dbraw/zinc/17/48/41/533174841.db2.gz LTOAGNJORAAXMH-QWQRMKEZSA-N 1 3 298.430 3.497 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(Cl)c3cccnc23)C1 ZINC000334847331 542462114 /nfs/dbraw/zinc/46/21/14/542462114.db2.gz SNIZREPFWWDGSY-STQMWFEESA-N 1 3 289.810 3.248 20 0 CGADHO CCO[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000339073214 542486023 /nfs/dbraw/zinc/48/60/23/542486023.db2.gz AZWYLKKABWWSLJ-FGTMMUONSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000339073214 542486027 /nfs/dbraw/zinc/48/60/27/542486027.db2.gz AZWYLKKABWWSLJ-FGTMMUONSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000339076602 542486233 /nfs/dbraw/zinc/48/62/33/542486233.db2.gz UZAKKBRPOMXFBH-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000339076602 542486235 /nfs/dbraw/zinc/48/62/35/542486235.db2.gz UZAKKBRPOMXFBH-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000339076602 542486237 /nfs/dbraw/zinc/48/62/37/542486237.db2.gz UZAKKBRPOMXFBH-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000281514671 195271731 /nfs/dbraw/zinc/27/17/31/195271731.db2.gz HJNNNGSDVDYCSI-MSOLQXFVSA-N 1 3 299.462 3.268 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000423271304 533300746 /nfs/dbraw/zinc/30/07/46/533300746.db2.gz IWCJWRMZBMECGX-FHLIZLRMSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)CCC2 ZINC000423271304 533300754 /nfs/dbraw/zinc/30/07/54/533300754.db2.gz IWCJWRMZBMECGX-FHLIZLRMSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2cc([C@@H](C)[NH2+]C[C@H](N)C(C)C)ccc2c1 ZINC000423268937 533335852 /nfs/dbraw/zinc/33/58/52/533335852.db2.gz VJFJCMJCZGJSGU-ACJLOTCBSA-N 1 3 286.419 3.482 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCNC[C@@H]3C)ccc2c1 ZINC000423384497 533337219 /nfs/dbraw/zinc/33/72/19/533337219.db2.gz GABXUFLCJRTYCG-CKFHNAJUSA-N 1 3 298.430 3.497 20 0 CGADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1cccc(F)c1F ZINC000423028212 533338200 /nfs/dbraw/zinc/33/82/00/533338200.db2.gz SGILSWVYQWCEEF-VOMCLLRMSA-N 1 3 268.351 3.133 20 0 CGADHO C(COC1CCCCC1)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491594 533366666 /nfs/dbraw/zinc/36/66/66/533366666.db2.gz SCLADLPXWHIVTA-FGTMMUONSA-N 1 3 294.483 3.236 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(C2CC2)c1 ZINC000424374009 533520429 /nfs/dbraw/zinc/52/04/29/533520429.db2.gz KNMUQUKLQADSML-CSMYWGQOSA-N 1 3 258.409 3.485 20 0 CGADHO COc1ccc(CN2CCC[C@@H](C[NH3+])C2)c2ccccc12 ZINC000094692732 533556691 /nfs/dbraw/zinc/55/66/91/533556691.db2.gz HIEUOMSFLQPQJO-AWEZNQCLSA-N 1 3 284.403 3.019 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000414928981 542641096 /nfs/dbraw/zinc/64/10/96/542641096.db2.gz QWIASLNXVIDHNU-OOJKYFRXSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000361803607 392327007 /nfs/dbraw/zinc/32/70/07/392327007.db2.gz HPJGYNZZYWVEIH-DNVCBOLYSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000361803607 392327017 /nfs/dbraw/zinc/32/70/17/392327017.db2.gz HPJGYNZZYWVEIH-DNVCBOLYSA-N 1 3 295.430 3.178 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246825909 131098567 /nfs/dbraw/zinc/09/85/67/131098567.db2.gz AVLUKLVFLYIXOH-KYHPRHEASA-N 1 3 290.451 3.081 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246825909 131098568 /nfs/dbraw/zinc/09/85/68/131098568.db2.gz AVLUKLVFLYIXOH-KYHPRHEASA-N 1 3 290.451 3.081 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000249374078 131120836 /nfs/dbraw/zinc/12/08/36/131120836.db2.gz HEJDPAZYIKFLFZ-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)cc2C)C1 ZINC000249374078 131120839 /nfs/dbraw/zinc/12/08/39/131120839.db2.gz HEJDPAZYIKFLFZ-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)cc2C)C1 ZINC000249374078 131120840 /nfs/dbraw/zinc/12/08/40/131120840.db2.gz HEJDPAZYIKFLFZ-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250687006 131126201 /nfs/dbraw/zinc/12/62/01/131126201.db2.gz GIKZXOMBMQNCIX-KBPBESRZSA-N 1 3 278.465 3.242 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250687006 131126203 /nfs/dbraw/zinc/12/62/03/131126203.db2.gz GIKZXOMBMQNCIX-KBPBESRZSA-N 1 3 278.465 3.242 20 0 CGADHO C[C@H]1CSC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367710797 392480592 /nfs/dbraw/zinc/48/05/92/392480592.db2.gz YZJLNOUASDBWCV-YOEHRIQHSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H]1CSC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000367710797 392480596 /nfs/dbraw/zinc/48/05/96/392480596.db2.gz YZJLNOUASDBWCV-YOEHRIQHSA-N 1 3 296.524 3.372 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000371337773 392514138 /nfs/dbraw/zinc/51/41/38/392514138.db2.gz WFBTTZVBNIYCHW-NRKLIOEPSA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000371337774 392514259 /nfs/dbraw/zinc/51/42/59/392514259.db2.gz WFBTTZVBNIYCHW-UUAJXVIYSA-N 1 3 264.457 3.418 20 0 CGADHO CO[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000372060148 392578972 /nfs/dbraw/zinc/57/89/72/392578972.db2.gz PGTYONRLIVMQBM-QGZVFWFLSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000372060148 392578977 /nfs/dbraw/zinc/57/89/77/392578977.db2.gz PGTYONRLIVMQBM-QGZVFWFLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](Cc1ccccc1)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479671 392735354 /nfs/dbraw/zinc/73/53/54/392735354.db2.gz PCCXVVPGZIGKLL-NZSAHSFTSA-N 1 3 286.463 3.329 20 0 CGADHO Fc1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC000647543571 392759491 /nfs/dbraw/zinc/75/94/91/392759491.db2.gz PPSXVFMOVUZRNB-UONOGXRCSA-N 1 3 294.389 3.176 20 0 CGADHO Fc1cc(F)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543781 392761078 /nfs/dbraw/zinc/76/10/78/392761078.db2.gz RYUNEGRGAHEIQR-CABCVRRESA-N 1 3 294.389 3.176 20 0 CGADHO CC[C@H](C)Oc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000647552791 392765700 /nfs/dbraw/zinc/76/57/00/392765700.db2.gz XJPSHJZXRHMLOU-IHRRRGAJSA-N 1 3 294.439 3.088 20 0 CGADHO CC[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000647936951 392837743 /nfs/dbraw/zinc/83/77/43/392837743.db2.gz NZNGBHMWLOXYLF-QFBILLFUSA-N 1 3 282.431 3.442 20 0 CGADHO CC[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000647936951 392837746 /nfs/dbraw/zinc/83/77/46/392837746.db2.gz NZNGBHMWLOXYLF-QFBILLFUSA-N 1 3 282.431 3.442 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000335570356 392799043 /nfs/dbraw/zinc/79/90/43/392799043.db2.gz SRQBOPNCLUUBFI-DLBZAZTESA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000647957084 392843135 /nfs/dbraw/zinc/84/31/35/392843135.db2.gz MSYGXTDOKNPYEL-MSOLQXFVSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000647957084 392843138 /nfs/dbraw/zinc/84/31/38/392843138.db2.gz MSYGXTDOKNPYEL-MSOLQXFVSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957084 392843140 /nfs/dbraw/zinc/84/31/40/392843140.db2.gz MSYGXTDOKNPYEL-MSOLQXFVSA-N 1 3 270.420 3.140 20 0 CGADHO Fc1ccccc1CCN(C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647879600 392823241 /nfs/dbraw/zinc/82/32/41/392823241.db2.gz YHSDAWWGFMLZQT-HNNXBMFYSA-N 1 3 290.426 3.222 20 0 CGADHO c1ccc(CCN(C[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647884164 392824876 /nfs/dbraw/zinc/82/48/76/392824876.db2.gz VGRSJQROQGRXHX-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)N(CC)C[C@H]1CC[NH2+]C1 ZINC000647889323 392826812 /nfs/dbraw/zinc/82/68/12/392826812.db2.gz GAIHOTSIHKQTSI-ZWKOTPCHSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1ccc([C@@H]2CCCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884941 392826858 /nfs/dbraw/zinc/82/68/58/392826858.db2.gz OFPZVMJLNUQYRI-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C[C@H]1CC[NH2+]C1 ZINC000647890101 392829057 /nfs/dbraw/zinc/82/90/57/392829057.db2.gz QHZAJTYNJYJELR-MJBXVCDLSA-N 1 3 280.843 3.373 20 0 CGADHO CC(C)NC1(CO)CC[NH+](C[C@H](C)C2CCCCC2)CC1 ZINC000519759464 392891924 /nfs/dbraw/zinc/89/19/24/392891924.db2.gz NOBXTTLBEUEZKK-INIZCTEOSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811454 392869655 /nfs/dbraw/zinc/86/96/55/392869655.db2.gz NBIRLOUHJTUPEV-OEUWWYETSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811454 392869658 /nfs/dbraw/zinc/86/96/58/392869658.db2.gz NBIRLOUHJTUPEV-OEUWWYETSA-N 1 3 258.409 3.307 20 0 CGADHO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C2 ZINC000262044263 285508525 /nfs/dbraw/zinc/50/85/25/285508525.db2.gz CDOHSDGRQSNNTN-VNTMZGSJSA-N 1 3 298.474 3.444 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2(C3CC3)CCC2)c2ccccc21 ZINC000391478826 392927794 /nfs/dbraw/zinc/92/77/94/392927794.db2.gz YALIIBQNPQBQLR-HOTGVXAUSA-N 1 3 256.393 3.301 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000514104464 542734210 /nfs/dbraw/zinc/73/42/10/542734210.db2.gz KAJJYSSXKAZZJQ-ZWKOTPCHSA-N 1 3 290.451 3.151 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CCN3CCC[C@H]3C1)C2 ZINC000648427500 393012565 /nfs/dbraw/zinc/01/25/65/393012565.db2.gz WQBZDNHDWLLFNT-OTWHNJEPSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000648427500 393012568 /nfs/dbraw/zinc/01/25/68/393012568.db2.gz WQBZDNHDWLLFNT-OTWHNJEPSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000648427500 393012574 /nfs/dbraw/zinc/01/25/74/393012574.db2.gz WQBZDNHDWLLFNT-OTWHNJEPSA-N 1 3 284.447 3.150 20 0 CGADHO C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CCN2C1 ZINC000226869604 393016225 /nfs/dbraw/zinc/01/62/25/393016225.db2.gz CCDYGIJDJUPNKJ-BBWFWOEESA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@H]2C[C@@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000226869604 393016232 /nfs/dbraw/zinc/01/62/32/393016232.db2.gz CCDYGIJDJUPNKJ-BBWFWOEESA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@H]2C[C@@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000226869604 393016239 /nfs/dbraw/zinc/01/62/39/393016239.db2.gz CCDYGIJDJUPNKJ-BBWFWOEESA-N 1 3 292.467 3.085 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414996344 393084614 /nfs/dbraw/zinc/08/46/14/393084614.db2.gz XPDYTFPPIFVKCQ-FZMZJTMJSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)[C@H](C)N ZINC000415006607 393090017 /nfs/dbraw/zinc/09/00/17/393090017.db2.gz KQWUGNKCOONQSD-UONOGXRCSA-N 1 3 254.377 3.179 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)[C@H](C)N ZINC000415017314 393098371 /nfs/dbraw/zinc/09/83/71/393098371.db2.gz POUWZWZIGGGCOC-QWHCGFSZSA-N 1 3 288.366 3.443 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1ncc(C(C)(C)C)s1 ZINC000415019862 393099636 /nfs/dbraw/zinc/09/96/36/393099636.db2.gz WTDREASMNHZLSC-NSHDSACASA-N 1 3 269.458 3.048 20 0 CGADHO C[C@H](CCC[NH3+])NCc1ccc(-c2ccncc2)cc1F ZINC000415024603 393101425 /nfs/dbraw/zinc/10/14/25/393101425.db2.gz PGFQETIDZXORHO-CYBMUJFWSA-N 1 3 287.382 3.105 20 0 CGADHO Cc1cc(F)c(CN[C@H]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000415030792 393105390 /nfs/dbraw/zinc/10/53/90/393105390.db2.gz GHVYCBJKXOEXTE-MNOVXSKESA-N 1 3 270.779 3.005 20 0 CGADHO Clc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778510 393055121 /nfs/dbraw/zinc/05/51/21/393055121.db2.gz IYLHTZICZOTSRO-LSDHHAIUSA-N 1 3 278.827 3.162 20 0 CGADHO CCC1(C)CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000414853028 393056278 /nfs/dbraw/zinc/05/62/78/393056278.db2.gz KMRKKWYXFNKICC-FXQLRMTLSA-N 1 3 252.446 3.323 20 0 CGADHO Fc1ccc(CNCCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414975119 393074884 /nfs/dbraw/zinc/07/48/84/393074884.db2.gz OHXIZNOMNUVPHI-ZDUSSCGKSA-N 1 3 270.779 3.101 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414987593 393081335 /nfs/dbraw/zinc/08/13/35/393081335.db2.gz KNMHPJCCPXOCIP-CGTJXYLNSA-N 1 3 290.451 3.437 20 0 CGADHO C[C@H](CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059480 393120204 /nfs/dbraw/zinc/12/02/04/393120204.db2.gz WZFNGLFDWKCHOB-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)[C@@H](C[NH2+]CCCNC1CC1)c1ccccc1 ZINC000415067234 393126334 /nfs/dbraw/zinc/12/63/34/393126334.db2.gz KDWSLJWKFOXGOJ-QGZVFWFLSA-N 1 3 260.425 3.158 20 0 CGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000415081513 393134575 /nfs/dbraw/zinc/13/45/75/393134575.db2.gz KORLLYMGVUJNAG-AVGNSLFASA-N 1 3 252.427 3.177 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)c1cccs1 ZINC000415081513 393134580 /nfs/dbraw/zinc/13/45/80/393134580.db2.gz KORLLYMGVUJNAG-AVGNSLFASA-N 1 3 252.427 3.177 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583697 393140516 /nfs/dbraw/zinc/14/05/16/393140516.db2.gz RVUXLJKJTAGACR-DZGCQCFKSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583697 393140519 /nfs/dbraw/zinc/14/05/19/393140519.db2.gz RVUXLJKJTAGACR-DZGCQCFKSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CCCCC1 ZINC000474822217 393351670 /nfs/dbraw/zinc/35/16/70/393351670.db2.gz OQUFCEFAOLWGAZ-CWRNSKLLSA-N 1 3 252.446 3.418 20 0 CGADHO CCc1cccc(F)c1CNCC1(C)CC[NH+](C)CC1 ZINC000474946021 393361447 /nfs/dbraw/zinc/36/14/47/393361447.db2.gz SRVOSNDDXVWVRD-UHFFFAOYSA-N 1 3 278.415 3.210 20 0 CGADHO Cc1nc(C)c([C@H](C)N(C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420311423 393459386 /nfs/dbraw/zinc/45/93/86/393459386.db2.gz HBVLPPMTQVBABH-JSGCOSHPSA-N 1 3 281.469 3.142 20 0 CGADHO CN(CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420326834 393468834 /nfs/dbraw/zinc/46/88/34/393468834.db2.gz XWFKCONGFAETRY-LLVKDONJSA-N 1 3 287.234 3.425 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329677 393469764 /nfs/dbraw/zinc/46/97/64/393469764.db2.gz OROZAEWRFBWMAT-MGPQQGTHSA-N 1 3 294.389 3.347 20 0 CGADHO NC[C@@H]([NH2+]Cc1ccccc1OC(F)F)C1CCCCC1 ZINC000420359160 393472182 /nfs/dbraw/zinc/47/21/82/393472182.db2.gz GBWMZLLZEQHXKL-CQSZACIVSA-N 1 3 298.377 3.285 20 0 CGADHO C(CC1CCCC1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356442 393472743 /nfs/dbraw/zinc/47/27/43/393472743.db2.gz CXRAVLOEPHWPFH-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO CCc1ccc(CCN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429534052 393475965 /nfs/dbraw/zinc/47/59/65/393475965.db2.gz YJTIPTSIJSYHBH-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccc(CC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000429534052 393475969 /nfs/dbraw/zinc/47/59/69/393475969.db2.gz YJTIPTSIJSYHBH-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccc(CC[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000429534052 393475976 /nfs/dbraw/zinc/47/59/76/393475976.db2.gz YJTIPTSIJSYHBH-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420414707 393486883 /nfs/dbraw/zinc/48/68/83/393486883.db2.gz USYHBBKYYXEGIT-MNOVXSKESA-N 1 3 270.779 3.129 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419656 393506488 /nfs/dbraw/zinc/50/64/88/393506488.db2.gz HIEIOKRISUPWRV-ILXRZTDVSA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419656 393506491 /nfs/dbraw/zinc/50/64/91/393506491.db2.gz HIEIOKRISUPWRV-ILXRZTDVSA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419656 393506496 /nfs/dbraw/zinc/50/64/96/393506496.db2.gz HIEIOKRISUPWRV-ILXRZTDVSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000488472698 393526198 /nfs/dbraw/zinc/52/61/98/393526198.db2.gz XMPUMQDEVQSHAD-LSDHHAIUSA-N 1 3 284.513 3.369 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358672452 393527305 /nfs/dbraw/zinc/52/73/05/393527305.db2.gz ZOSGQKNHIGKULA-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000358672452 393527311 /nfs/dbraw/zinc/52/73/11/393527311.db2.gz ZOSGQKNHIGKULA-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cc(C)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000430147237 393530262 /nfs/dbraw/zinc/53/02/62/393530262.db2.gz KVVLZUGKMXIICB-SFHVURJKSA-N 1 3 272.436 3.139 20 0 CGADHO Cc1cc(C)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000430147237 393530266 /nfs/dbraw/zinc/53/02/66/393530266.db2.gz KVVLZUGKMXIICB-SFHVURJKSA-N 1 3 272.436 3.139 20 0 CGADHO CC1=C[C@H](C)CN(C/C=C/C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263367 393552538 /nfs/dbraw/zinc/55/25/38/393552538.db2.gz NSTQAQQZOLJZJF-KAWBWNIXSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@H](C)CN(C/C=C/C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263367 393552541 /nfs/dbraw/zinc/55/25/41/393552541.db2.gz NSTQAQQZOLJZJF-KAWBWNIXSA-N 1 3 274.452 3.339 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000623657276 542780608 /nfs/dbraw/zinc/78/06/08/542780608.db2.gz MQJNDRZMAITAHE-AWEZNQCLSA-N 1 3 282.378 3.446 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@@H](C)c1cc2c(s1)CCC2 ZINC000360858436 393600202 /nfs/dbraw/zinc/60/02/02/393600202.db2.gz LPKAJJDLDHCNIK-NEPJUHHUSA-N 1 3 266.454 3.228 20 0 CGADHO [NH3+]C[C@H]1CCCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430631370 393581865 /nfs/dbraw/zinc/58/18/65/393581865.db2.gz BBUVBZWQFJBPNY-MRXNPFEDSA-N 1 3 298.430 3.279 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090768 393631663 /nfs/dbraw/zinc/63/16/63/393631663.db2.gz OHCQVQSVLFXEEO-ZFWWWQNUSA-N 1 3 296.405 3.312 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090768 393631668 /nfs/dbraw/zinc/63/16/68/393631668.db2.gz OHCQVQSVLFXEEO-ZFWWWQNUSA-N 1 3 296.405 3.312 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCNCC[C@H]2C)c1 ZINC000422791095 393642563 /nfs/dbraw/zinc/64/25/63/393642563.db2.gz YDUUQDRALSPVCG-NVXWUHKLSA-N 1 3 274.452 3.250 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422893638 393645426 /nfs/dbraw/zinc/64/54/26/393645426.db2.gz QUPRKPWJTJSJKC-SLTXQBBLSA-N 1 3 252.446 3.179 20 0 CGADHO CCCC(O)(CCC)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422982656 393647675 /nfs/dbraw/zinc/64/76/75/393647675.db2.gz XKBUKXBBYPKRFK-GVDBMIGSSA-N 1 3 296.499 3.218 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422982656 393647680 /nfs/dbraw/zinc/64/76/80/393647680.db2.gz XKBUKXBBYPKRFK-GVDBMIGSSA-N 1 3 296.499 3.218 20 0 CGADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423049310 393649039 /nfs/dbraw/zinc/64/90/39/393649039.db2.gz JLERSPPIBOWSGS-XSLAGTTESA-N 1 3 288.435 3.315 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423277102 393658856 /nfs/dbraw/zinc/65/88/56/393658856.db2.gz PEGGNCKDPJLPFY-GOEBONIOSA-N 1 3 271.408 3.118 20 0 CGADHO Cc1cc2c(cc1C)[C@H](NC[C@@H](C)C[NH3+])CCS2 ZINC000423310545 393661477 /nfs/dbraw/zinc/66/14/77/393661477.db2.gz RZSZPXBHMNRCEW-IINYFYTJSA-N 1 3 264.438 3.025 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCC(C)(C)C[NH+](C)C)[C@H](C)C2 ZINC000491368743 393683908 /nfs/dbraw/zinc/68/39/08/393683908.db2.gz QYDSFYPTBKPBFR-PBHICJAKSA-N 1 3 274.452 3.406 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423440708 393667883 /nfs/dbraw/zinc/66/78/83/393667883.db2.gz AWUQMODXXZQNGG-GXTWGEPZSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CCCNC2CC2)c2sccc21 ZINC000423568624 393673108 /nfs/dbraw/zinc/67/31/08/393673108.db2.gz VSQLWJYDIPBHCL-BXUZGUMPSA-N 1 3 264.438 3.418 20 0 CGADHO Cc1ccc(C[C@H](C)N(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000502890113 393887128 /nfs/dbraw/zinc/88/71/28/393887128.db2.gz IJLWIAZDWNKKPM-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccc(C[C@H](C)N(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000502890113 393887130 /nfs/dbraw/zinc/88/71/30/393887130.db2.gz IJLWIAZDWNKKPM-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO c1cc2cc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969004 542830460 /nfs/dbraw/zinc/83/04/60/542830460.db2.gz UKRFSHJPKXBVGP-OALUTQOASA-N 1 3 295.430 3.199 20 0 CGADHO Cc1cc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2c(C)c1 ZINC000449559858 393903172 /nfs/dbraw/zinc/90/31/72/393903172.db2.gz CYWXNPLRGMKRIL-ZXFUBFMLSA-N 1 3 297.446 3.500 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995091 542832534 /nfs/dbraw/zinc/83/25/34/542832534.db2.gz DGFGNUCDMBFGOB-NEPJUHHUSA-N 1 3 278.362 3.372 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995695 542833860 /nfs/dbraw/zinc/83/38/60/542833860.db2.gz WRMVYUOODLCQPH-NVXWUHKLSA-N 1 3 272.436 3.272 20 0 CGADHO CCCc1cccc(C[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000666995560 542833978 /nfs/dbraw/zinc/83/39/78/542833978.db2.gz RHQAKFGBUXLRIQ-QGZVFWFLSA-N 1 3 272.436 3.403 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1 ZINC000453116952 394176906 /nfs/dbraw/zinc/17/69/06/394176906.db2.gz IJGGXUWBNSFWOK-JKSUJKDBSA-N 1 3 277.456 3.489 20 0 CGADHO COCC[N@H+](C)CCCN[C@H]1CC[C@H](C)c2ccsc21 ZINC000453080425 394164253 /nfs/dbraw/zinc/16/42/53/394164253.db2.gz LTZNZXSWBBITNQ-ZFWWWQNUSA-N 1 3 296.480 3.244 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H]1CC[C@H](C)c2ccsc21 ZINC000453080425 394164256 /nfs/dbraw/zinc/16/42/56/394164256.db2.gz LTZNZXSWBBITNQ-ZFWWWQNUSA-N 1 3 296.480 3.244 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453109426 394174331 /nfs/dbraw/zinc/17/43/31/394174331.db2.gz PLHCNTPTSMCIRN-YOEHRIQHSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C[NH2+][C@H](C1CC1)C1CCC1)CN1CCCC1 ZINC000453210866 394205854 /nfs/dbraw/zinc/20/58/54/394205854.db2.gz MPBMZSPPOHILDR-INIZCTEOSA-N 1 3 264.457 3.277 20 0 CGADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)CC)CC1 ZINC000453580600 394249976 /nfs/dbraw/zinc/24/99/76/394249976.db2.gz JWJSREWBRKRFHA-INIZCTEOSA-N 1 3 289.467 3.107 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912175 542944354 /nfs/dbraw/zinc/94/43/54/542944354.db2.gz ACEZGDDTHNRLMI-WCXIOVBPSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000670267248 543148728 /nfs/dbraw/zinc/14/87/28/543148728.db2.gz WXWIRQQJWBJCFS-GJZGRUSLSA-N 1 3 254.462 3.379 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000062077689 397638097 /nfs/dbraw/zinc/63/80/97/397638097.db2.gz XCYLZJGHXAADPO-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO [NH3+]CC1(CCNCc2cccc(Cl)c2Cl)CC1 ZINC000650711717 397899100 /nfs/dbraw/zinc/89/91/00/397899100.db2.gz ASSICOKTPXQVAK-UHFFFAOYSA-N 1 3 273.207 3.212 20 0 CGADHO [NH3+]CC1(CCNCc2c(Cl)oc3ccccc32)CC1 ZINC000650713183 397899674 /nfs/dbraw/zinc/89/96/74/397899674.db2.gz IPVWRHAADMRTCJ-UHFFFAOYSA-N 1 3 278.783 3.305 20 0 CGADHO Fc1ccccc1C[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000650715033 397900308 /nfs/dbraw/zinc/90/03/08/397900308.db2.gz MAQRULJHHNRXCE-WBVHZDCISA-N 1 3 290.426 3.222 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc2ccsc21 ZINC000650740710 397904082 /nfs/dbraw/zinc/90/40/82/397904082.db2.gz OVWDVJWKPCGHEG-JSGCOSHPSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650740710 397904084 /nfs/dbraw/zinc/90/40/84/397904084.db2.gz OVWDVJWKPCGHEG-JSGCOSHPSA-N 1 3 260.406 3.118 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740081 397904157 /nfs/dbraw/zinc/90/41/57/397904157.db2.gz GCXMKSQHTMYXBU-DLBZAZTESA-N 1 3 290.426 3.497 20 0 CGADHO CCCC[N@H+](CC)Cc1ccc(OCCN(C)C)cc1 ZINC000678120582 543484603 /nfs/dbraw/zinc/48/46/03/543484603.db2.gz CZPNRILKESWJBV-UHFFFAOYSA-N 1 3 278.440 3.249 20 0 CGADHO CCCC[N@@H+](CC)Cc1ccc(OCCN(C)C)cc1 ZINC000678120582 543484604 /nfs/dbraw/zinc/48/46/04/543484604.db2.gz CZPNRILKESWJBV-UHFFFAOYSA-N 1 3 278.440 3.249 20 0 CGADHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678210547 543492745 /nfs/dbraw/zinc/49/27/45/543492745.db2.gz NQSHYMWNSQHIGB-MRXNPFEDSA-N 1 3 276.424 3.001 20 0 CGADHO CC[C@@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678210547 543492747 /nfs/dbraw/zinc/49/27/47/543492747.db2.gz NQSHYMWNSQHIGB-MRXNPFEDSA-N 1 3 276.424 3.001 20 0 CGADHO C[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000678270557 543506848 /nfs/dbraw/zinc/50/68/48/543506848.db2.gz QIQBOMGKTJSWDM-CVEARBPZSA-N 1 3 290.451 3.105 20 0 CGADHO C[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@@H]1C ZINC000678270557 543506850 /nfs/dbraw/zinc/50/68/50/543506850.db2.gz QIQBOMGKTJSWDM-CVEARBPZSA-N 1 3 290.451 3.105 20 0 CGADHO Clc1cccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000678581113 543537430 /nfs/dbraw/zinc/53/74/30/543537430.db2.gz RWHMBTWVIYASFK-IAGOWNOFSA-N 1 3 292.854 3.489 20 0 CGADHO Clc1cccc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000678581113 543537432 /nfs/dbraw/zinc/53/74/32/543537432.db2.gz RWHMBTWVIYASFK-IAGOWNOFSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@H]1CCC[C@H](C[NH+]2CCN(c3ccncc3)CC2)C1 ZINC000678461920 543527778 /nfs/dbraw/zinc/52/77/78/543527778.db2.gz AKTUWZSBQACFRG-HOTGVXAUSA-N 1 3 273.424 3.030 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000678772161 543555732 /nfs/dbraw/zinc/55/57/32/543555732.db2.gz HGLSRHMRQFDMQA-WMZOPIPTSA-N 1 3 272.436 3.082 20 0 CGADHO COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCCC1 ZINC000423170528 292247702 /nfs/dbraw/zinc/24/77/02/292247702.db2.gz YBPJHBNJCBXALN-YESZJQIVSA-N 1 3 294.483 3.094 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCC1 ZINC000422889400 292307425 /nfs/dbraw/zinc/30/74/25/292307425.db2.gz PJOAKDXLOQHYRL-GVDBMIGSSA-N 1 3 294.483 3.094 20 0 CGADHO CSC1(CN[C@@H](C)c2ccc(C)o2)CC[NH+](C)CC1 ZINC000353615615 286657583 /nfs/dbraw/zinc/65/75/83/286657583.db2.gz YVRBJHFEFARXJU-ZDUSSCGKSA-N 1 3 282.453 3.066 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCSCC1 ZINC000249783894 287024389 /nfs/dbraw/zinc/02/43/89/287024389.db2.gz DFIOPYPSZDUZHJ-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076453970 287033747 /nfs/dbraw/zinc/03/37/47/287033747.db2.gz WBQSFBRLYKDVFY-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076453970 287033750 /nfs/dbraw/zinc/03/37/50/287033750.db2.gz WBQSFBRLYKDVFY-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076453970 287033752 /nfs/dbraw/zinc/03/37/52/287033752.db2.gz WBQSFBRLYKDVFY-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@@H](N[C@H](C)C1(c2ccccc2)CCCC1)[C@H](C)[NH3+] ZINC000423449750 287062575 /nfs/dbraw/zinc/06/25/75/287062575.db2.gz RZNKNGQEJZYRIH-RRFJBIMHSA-N 1 3 260.425 3.212 20 0 CGADHO CCC[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000070938694 165065517 /nfs/dbraw/zinc/06/55/17/165065517.db2.gz UGLDDFCYIPMMGE-UHFFFAOYSA-N 1 3 271.408 3.132 20 0 CGADHO CN(CC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000089562444 287091572 /nfs/dbraw/zinc/09/15/72/287091572.db2.gz PUJXIFFEAHKBBT-XYPWUTKMSA-N 1 3 250.430 3.172 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095081 165162606 /nfs/dbraw/zinc/16/26/06/165162606.db2.gz KJZFYMPRYZPMMZ-WBVHZDCISA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000081095081 165162611 /nfs/dbraw/zinc/16/26/11/165162611.db2.gz KJZFYMPRYZPMMZ-WBVHZDCISA-N 1 3 260.425 3.157 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]CCCN(CC)CC)C12CCCC2 ZINC000085678007 165183197 /nfs/dbraw/zinc/18/31/97/165183197.db2.gz SJMDBAFAAYJPLO-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CCO[C@H]1C[C@@H](NCCC[NH+](CC)CC)C12CCCC2 ZINC000085678007 165183199 /nfs/dbraw/zinc/18/31/99/165183199.db2.gz SJMDBAFAAYJPLO-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccnc1 ZINC000092856909 165316696 /nfs/dbraw/zinc/31/66/96/165316696.db2.gz LIWRHLGJULENPV-OAHLLOKOSA-N 1 3 296.418 3.044 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000092799482 287113685 /nfs/dbraw/zinc/11/36/85/287113685.db2.gz IMVLDMJJYGCLDP-XHSDSOJGSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000092799482 287113688 /nfs/dbraw/zinc/11/36/88/287113688.db2.gz IMVLDMJJYGCLDP-XHSDSOJGSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)CN1CCCC1 ZINC000094279472 287122014 /nfs/dbraw/zinc/12/20/14/287122014.db2.gz KEGHDTCTUQLKCF-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000020128795 171016513 /nfs/dbraw/zinc/01/65/13/171016513.db2.gz NFLADQYDKDPVNZ-OAHLLOKOSA-N 1 3 276.424 3.222 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H](C)C[NH+]1CCCC1)CC2 ZINC000126567340 287267791 /nfs/dbraw/zinc/26/77/91/287267791.db2.gz GWIQCDXFGXDOJR-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN1CCCC1)CC2 ZINC000126567340 287267794 /nfs/dbraw/zinc/26/77/94/287267794.db2.gz GWIQCDXFGXDOJR-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN(C)C ZINC000037213630 173033949 /nfs/dbraw/zinc/03/39/49/173033949.db2.gz ZDYXJBAWGAVYOG-ZDUSSCGKSA-N 1 3 260.381 3.344 20 0 CGADHO CCCN(Cc1ccc(SC)cc1)C1CC[NH2+]CC1 ZINC000037539121 173259562 /nfs/dbraw/zinc/25/95/62/173259562.db2.gz RLCDSGMGPHNZQA-UHFFFAOYSA-N 1 3 278.465 3.373 20 0 CGADHO CCC[N@H+](Cc1ccc(SC)cc1)C1CCNCC1 ZINC000037539121 173259565 /nfs/dbraw/zinc/25/95/65/173259565.db2.gz RLCDSGMGPHNZQA-UHFFFAOYSA-N 1 3 278.465 3.373 20 0 CGADHO CCC[N@@H+](Cc1ccc(SC)cc1)C1CCNCC1 ZINC000037539121 173259566 /nfs/dbraw/zinc/25/95/66/173259566.db2.gz RLCDSGMGPHNZQA-UHFFFAOYSA-N 1 3 278.465 3.373 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCSC2)CC1 ZINC000358191935 287289079 /nfs/dbraw/zinc/28/90/79/287289079.db2.gz POCIMYMHSLPQNM-BMFZPTHFSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000358191935 287289083 /nfs/dbraw/zinc/28/90/83/287289083.db2.gz POCIMYMHSLPQNM-BMFZPTHFSA-N 1 3 282.497 3.125 20 0 CGADHO C(C1CCCCC1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000226436847 416522107 /nfs/dbraw/zinc/52/21/07/416522107.db2.gz NRGZFYAZPNJRLR-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCCCC1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000226436847 416522108 /nfs/dbraw/zinc/52/21/08/416522108.db2.gz NRGZFYAZPNJRLR-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO CCOc1cccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404443645 416553584 /nfs/dbraw/zinc/55/35/84/416553584.db2.gz WCCDLMLGJKLSKX-WMLDXEAASA-N 1 3 276.424 3.035 20 0 CGADHO CC1=C[C@@H](C)C[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684682832 544025113 /nfs/dbraw/zinc/02/51/13/544025113.db2.gz FPFFJXWRJHRFHM-OAHLLOKOSA-N 1 3 288.435 3.025 20 0 CGADHO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684682832 544025115 /nfs/dbraw/zinc/02/51/15/544025115.db2.gz FPFFJXWRJHRFHM-OAHLLOKOSA-N 1 3 288.435 3.025 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417968067 227273683 /nfs/dbraw/zinc/27/36/83/227273683.db2.gz WGGOBKOYTXDYEG-MHORFTMASA-N 1 3 272.436 3.253 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCc2ccco2)CC1 ZINC000658327784 418936592 /nfs/dbraw/zinc/93/65/92/418936592.db2.gz RLOJESLRFSJRMK-UHFFFAOYSA-N 1 3 264.413 3.065 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCCc2ccco2)CC1 ZINC000658327784 418936594 /nfs/dbraw/zinc/93/65/94/418936594.db2.gz RLOJESLRFSJRMK-UHFFFAOYSA-N 1 3 264.413 3.065 20 0 CGADHO CC(C)(CC[N@@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000653558596 419047638 /nfs/dbraw/zinc/04/76/38/419047638.db2.gz LHYJSLXSOXVACG-HNNXBMFYSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)(CC[N@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000653558596 419047639 /nfs/dbraw/zinc/04/76/39/419047639.db2.gz LHYJSLXSOXVACG-HNNXBMFYSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)=CCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000659974946 419049536 /nfs/dbraw/zinc/04/95/36/419049536.db2.gz RVKOVFNEEDXFHH-MRXNPFEDSA-N 1 3 250.430 3.006 20 0 CGADHO CC(C)=CCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974946 419049540 /nfs/dbraw/zinc/04/95/40/419049540.db2.gz RVKOVFNEEDXFHH-MRXNPFEDSA-N 1 3 250.430 3.006 20 0 CGADHO CC(C)=CCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000659974946 419049544 /nfs/dbraw/zinc/04/95/44/419049544.db2.gz RVKOVFNEEDXFHH-MRXNPFEDSA-N 1 3 250.430 3.006 20 0 CGADHO CC(C)=CCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000659974946 419049550 /nfs/dbraw/zinc/04/95/50/419049550.db2.gz RVKOVFNEEDXFHH-MRXNPFEDSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H](N[C@@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]1 ZINC000665234169 419087676 /nfs/dbraw/zinc/08/76/76/419087676.db2.gz ZDSDXPSUBWOMBA-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CCCN1 ZINC000665234169 419087680 /nfs/dbraw/zinc/08/76/80/419087680.db2.gz ZDSDXPSUBWOMBA-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCCC1)[C@H](C)C2 ZINC000665247556 419090812 /nfs/dbraw/zinc/09/08/12/419090812.db2.gz FDPHMRXGFFPBGC-CZUORRHYSA-N 1 3 258.409 3.089 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665249564 419092275 /nfs/dbraw/zinc/09/22/75/419092275.db2.gz SUFZWCGSMRDXKU-ZIAGYGMSSA-N 1 3 276.424 3.048 20 0 CGADHO C[C@H](CC1CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254795 419093745 /nfs/dbraw/zinc/09/37/45/419093745.db2.gz ZXXIXLQWLVOVLZ-CSMYWGQOSA-N 1 3 276.399 3.049 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282352 419103496 /nfs/dbraw/zinc/10/34/96/419103496.db2.gz WFEUEPMTPAEOGQ-GVDBMIGSSA-N 1 3 289.467 3.379 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H](NCC[C@@H]([NH3+])C(C)C)C1 ZINC000665282352 419103502 /nfs/dbraw/zinc/10/35/02/419103502.db2.gz WFEUEPMTPAEOGQ-GVDBMIGSSA-N 1 3 289.467 3.379 20 0 CGADHO C[C@H]([NH2+]CCC1CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000660257487 419113990 /nfs/dbraw/zinc/11/39/90/419113990.db2.gz UIGXXRBZOBQZEA-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCC3(CCCC3)O2)CC1 ZINC000655853698 419122103 /nfs/dbraw/zinc/12/21/03/419122103.db2.gz XYEBDXCVXZNHOL-MRXNPFEDSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000655685643 419064305 /nfs/dbraw/zinc/06/43/05/419064305.db2.gz JUSDIMMPKOKLCT-CZUORRHYSA-N 1 3 278.465 3.122 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCc2ccccc21 ZINC000656198344 419148519 /nfs/dbraw/zinc/14/85/19/419148519.db2.gz OBBCUHAGOMAZJS-XYJFISCASA-N 1 3 272.436 3.140 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195700 419148568 /nfs/dbraw/zinc/14/85/68/419148568.db2.gz CWGDMPKZQREROS-CABCVRRESA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195700 419148570 /nfs/dbraw/zinc/14/85/70/419148570.db2.gz CWGDMPKZQREROS-CABCVRRESA-N 1 3 278.827 3.231 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195701 419148869 /nfs/dbraw/zinc/14/88/69/419148869.db2.gz CWGDMPKZQREROS-GJZGRUSLSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195701 419148871 /nfs/dbraw/zinc/14/88/71/419148871.db2.gz CWGDMPKZQREROS-GJZGRUSLSA-N 1 3 278.827 3.231 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000656478130 419176439 /nfs/dbraw/zinc/17/64/39/419176439.db2.gz FAQQHCKTCAOHFV-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000656478130 419176441 /nfs/dbraw/zinc/17/64/41/419176441.db2.gz FAQQHCKTCAOHFV-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO CC[C@@H]1C[C@@H](NCc2ccccc2C[NH+](CC)CC)CO1 ZINC000657298996 419245571 /nfs/dbraw/zinc/24/55/71/419245571.db2.gz ZAFWFFRTJKRGRE-QZTJIDSGSA-N 1 3 290.451 3.186 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657337538 419254620 /nfs/dbraw/zinc/25/46/20/419254620.db2.gz YLWAKRXTRPQONB-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO Fc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656784366 419217688 /nfs/dbraw/zinc/21/76/88/419217688.db2.gz CRSJMAVIUHZTAU-MRXNPFEDSA-N 1 3 276.399 3.037 20 0 CGADHO Cc1ccc(CC[C@@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000656789748 419221495 /nfs/dbraw/zinc/22/14/95/419221495.db2.gz WVJQEFRTYNEICS-OAHLLOKOSA-N 1 3 260.425 3.177 20 0 CGADHO c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661969463 419316647 /nfs/dbraw/zinc/31/66/47/419316647.db2.gz JNFDWJCIEWDLOS-NFQUHZNNSA-N 1 3 296.458 3.370 20 0 CGADHO c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661969463 419316650 /nfs/dbraw/zinc/31/66/50/419316650.db2.gz JNFDWJCIEWDLOS-NFQUHZNNSA-N 1 3 296.458 3.370 20 0 CGADHO c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661969463 419316651 /nfs/dbraw/zinc/31/66/51/419316651.db2.gz JNFDWJCIEWDLOS-NFQUHZNNSA-N 1 3 296.458 3.370 20 0 CGADHO c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661969463 419316654 /nfs/dbraw/zinc/31/66/54/419316654.db2.gz JNFDWJCIEWDLOS-NFQUHZNNSA-N 1 3 296.458 3.370 20 0 CGADHO FC1(F)CC12CCC([NH2+][C@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000657716421 419332180 /nfs/dbraw/zinc/33/21/80/419332180.db2.gz IOUDKLPTCIMDNF-RAFNIBEQSA-N 1 3 284.394 3.171 20 0 CGADHO CCC[N@H+](C[C@@H](OC)C1CCCCC1)C1CCNCC1 ZINC000662264977 419376232 /nfs/dbraw/zinc/37/62/32/419376232.db2.gz SUCNTJRUICWKFB-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[N@@H+](C[C@@H](OC)C1CCCCC1)C1CCNCC1 ZINC000662264977 419376240 /nfs/dbraw/zinc/37/62/40/419376240.db2.gz SUCNTJRUICWKFB-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+](CC)[C@@H]1CCCNCC1 ZINC000662266995 419376883 /nfs/dbraw/zinc/37/68/83/419376883.db2.gz PJZWYZCEWKWHHO-CHWSQXEVSA-N 1 3 262.388 3.132 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+](CC)[C@@H]1CCCNCC1 ZINC000662266995 419376886 /nfs/dbraw/zinc/37/68/86/419376886.db2.gz PJZWYZCEWKWHHO-CHWSQXEVSA-N 1 3 262.388 3.132 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264469 419377055 /nfs/dbraw/zinc/37/70/55/419377055.db2.gz DNBJFDMSEWJLMJ-HIFRSBDPSA-N 1 3 260.425 3.153 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3COC(C)(C)C3)CC2)C1 ZINC000658059061 419532995 /nfs/dbraw/zinc/53/29/95/419532995.db2.gz QADADYONJJHKMV-HYVNUMGLSA-N 1 3 294.483 3.187 20 0 CGADHO Clc1ccc([C@H]2CCC[C@@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663498621 419634708 /nfs/dbraw/zinc/63/47/08/419634708.db2.gz RHDCZJLZLJSMHJ-HHBUMJEXSA-N 1 3 290.838 3.318 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464595 419616616 /nfs/dbraw/zinc/61/66/16/419616616.db2.gz DUAXBNHIZMBRFO-SJORKVTESA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464595 419616623 /nfs/dbraw/zinc/61/66/23/419616623.db2.gz DUAXBNHIZMBRFO-SJORKVTESA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464595 419616632 /nfs/dbraw/zinc/61/66/32/419616632.db2.gz DUAXBNHIZMBRFO-SJORKVTESA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)C1CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663466436 419619295 /nfs/dbraw/zinc/61/92/95/419619295.db2.gz SZAVLKPQMIHQIU-GTPINHCMSA-N 1 3 264.457 3.133 20 0 CGADHO CCC[C@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164835 419630140 /nfs/dbraw/zinc/63/01/40/419630140.db2.gz FVBFGZQHXXEBMC-SFHVURJKSA-N 1 3 289.467 3.462 20 0 CGADHO Cc1nc2ccc(CNCC[C@@H]([NH3+])C(C)C)cc2s1 ZINC000663503066 419641892 /nfs/dbraw/zinc/64/18/92/419641892.db2.gz NCUBWERZSFRMMG-CYBMUJFWSA-N 1 3 277.437 3.068 20 0 CGADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1nccc2[nH]ccc21 ZINC000663578295 419652174 /nfs/dbraw/zinc/65/21/74/419652174.db2.gz XSDIARXNUORLIR-CHWSQXEVSA-N 1 3 272.396 3.238 20 0 CGADHO Cc1cc(C)c(C[NH2+]CCCN(C)C(C)C)c(C)c1 ZINC000221784103 262296221 /nfs/dbraw/zinc/29/62/21/262296221.db2.gz QDKZXSSYJMHWBH-UHFFFAOYSA-N 1 3 262.441 3.432 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC[C@@H](C)c2ccccc2)C1 ZINC000043536058 270034461 /nfs/dbraw/zinc/03/44/61/270034461.db2.gz LTNVPHFHZILXQG-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534586 270036657 /nfs/dbraw/zinc/03/66/57/270036657.db2.gz CWXJTLXAWJUXOI-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534586 270036659 /nfs/dbraw/zinc/03/66/59/270036659.db2.gz CWXJTLXAWJUXOI-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000527102561 270125330 /nfs/dbraw/zinc/12/53/30/270125330.db2.gz MXDUBXIFDLFXAG-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000527701880 270132746 /nfs/dbraw/zinc/13/27/46/270132746.db2.gz SNFMZJFEVHVBEL-LJQANCHMSA-N 1 3 295.430 3.002 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734702 270133262 /nfs/dbraw/zinc/13/32/62/270133262.db2.gz MAJLPXFUSZANJF-IRXDYDNUSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527804997 270137379 /nfs/dbraw/zinc/13/73/79/270137379.db2.gz TXIUSWZLFGQTET-AFIMGQEJSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000527804997 270137380 /nfs/dbraw/zinc/13/73/80/270137380.db2.gz TXIUSWZLFGQTET-AFIMGQEJSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CC12CC2 ZINC000527866151 270140995 /nfs/dbraw/zinc/14/09/95/270140995.db2.gz OFWXORHHHDZQTK-XJKSGUPXSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC(F)(F)C1 ZINC000529547230 270183790 /nfs/dbraw/zinc/18/37/90/270183790.db2.gz WAQUUWQMBUTKKI-LBPRGKRZSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530214867 270195686 /nfs/dbraw/zinc/19/56/86/270195686.db2.gz YPJXDMDDBBMYMU-GUYCJALGSA-N 1 3 264.457 3.181 20 0 CGADHO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCCCC1 ZINC000530216191 270195725 /nfs/dbraw/zinc/19/57/25/270195725.db2.gz NRKHDTGTEKQOCN-UKRRQHHQSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCCCC1 ZINC000530216191 270195726 /nfs/dbraw/zinc/19/57/26/270195726.db2.gz NRKHDTGTEKQOCN-UKRRQHHQSA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530215530 270195843 /nfs/dbraw/zinc/19/58/43/270195843.db2.gz HBYKBFRXSSQRHA-ILXRZTDVSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCCCC1 ZINC000530216189 270195930 /nfs/dbraw/zinc/19/59/30/270195930.db2.gz NRKHDTGTEKQOCN-DZGCQCFKSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCCCC1 ZINC000530216189 270195931 /nfs/dbraw/zinc/19/59/31/270195931.db2.gz NRKHDTGTEKQOCN-DZGCQCFKSA-N 1 3 250.430 3.220 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@@H]2CC=CCC2)c2ccccc21 ZINC000530218190 270196212 /nfs/dbraw/zinc/19/62/12/270196212.db2.gz KHMOXJANGZCVEW-XYPHTWIQSA-N 1 3 256.393 3.467 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000530623431 270201108 /nfs/dbraw/zinc/20/11/08/270201108.db2.gz RBVMZYHWQLUKQF-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000530623431 270201109 /nfs/dbraw/zinc/20/11/09/270201109.db2.gz RBVMZYHWQLUKQF-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000516758256 274151038 /nfs/dbraw/zinc/15/10/38/274151038.db2.gz WRHRGPYAHRBTMC-ZQIUZPCESA-N 1 3 288.435 3.145 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000516758256 274151039 /nfs/dbraw/zinc/15/10/39/274151039.db2.gz WRHRGPYAHRBTMC-ZQIUZPCESA-N 1 3 288.435 3.145 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCCCCC1 ZINC000094722682 275395372 /nfs/dbraw/zinc/39/53/72/275395372.db2.gz FJGVZPGETFZJDH-HZPDHXFCSA-N 1 3 250.430 3.173 20 0 CGADHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000252978996 287846407 /nfs/dbraw/zinc/84/64/07/287846407.db2.gz FQAHKZDTTHKEAD-BZUAXINKSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[N@H+](C[C@H]1CCCNC1)[C@H]1CCc2ccccc2C1 ZINC000261595961 276000803 /nfs/dbraw/zinc/00/08/03/276000803.db2.gz JLMNWUGQNMAHIO-LPHOPBHVSA-N 1 3 286.463 3.256 20 0 CGADHO CCC[N@@H+](C[C@H]1CCCNC1)[C@H]1CCc2ccccc2C1 ZINC000261595961 276000805 /nfs/dbraw/zinc/00/08/05/276000805.db2.gz JLMNWUGQNMAHIO-LPHOPBHVSA-N 1 3 286.463 3.256 20 0 CGADHO CC1(C)[C@H]([NH2+]CCNC2CCCCCC2)[C@@H]2CCCO[C@H]21 ZINC000423280494 276163190 /nfs/dbraw/zinc/16/31/90/276163190.db2.gz STGJWEDIZCVOIB-GVDBMIGSSA-N 1 3 294.483 3.092 20 0 CGADHO CCC(CC)[C@@H](N[C@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422934159 276212388 /nfs/dbraw/zinc/21/23/88/276212388.db2.gz JASITYHVPSMJRP-IAQYHMDHSA-N 1 3 266.454 3.423 20 0 CGADHO CCC(CC)[C@@H]([NH2+][C@H](C)C1CNC1)c1cccs1 ZINC000422934159 276212389 /nfs/dbraw/zinc/21/23/89/276212389.db2.gz JASITYHVPSMJRP-IAQYHMDHSA-N 1 3 266.454 3.423 20 0 CGADHO CCC1(CC)[C@H](OC)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000359046023 276218625 /nfs/dbraw/zinc/21/86/25/276218625.db2.gz KPZGFIPYUPYBHB-SJJHQCBESA-N 1 3 294.483 3.187 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000224994628 276221716 /nfs/dbraw/zinc/22/17/16/276221716.db2.gz NQEXJIJDAQQBDR-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513714087 276268346 /nfs/dbraw/zinc/26/83/46/276268346.db2.gz XZPOWRDCUZAAMA-RCCFBDPRSA-N 1 3 272.436 3.287 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000087710356 276362337 /nfs/dbraw/zinc/36/23/37/276362337.db2.gz QPNRSYAYYGSDPW-CVEARBPZSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000449103113 276584454 /nfs/dbraw/zinc/58/44/54/276584454.db2.gz OPOJUVMXSQWYDO-BQFCYCMXSA-N 1 3 296.499 3.434 20 0 CGADHO C[NH+]1CCC2(CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000369705173 277036719 /nfs/dbraw/zinc/03/67/19/277036719.db2.gz VNNCYBONIFFPDM-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@]2(CCSC2)C1 ZINC000334627014 277044213 /nfs/dbraw/zinc/04/42/13/277044213.db2.gz OGOYEDPTGKRHEW-CVEARBPZSA-N 1 3 282.497 3.080 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@]2(CCSC2)C1 ZINC000334627014 277044214 /nfs/dbraw/zinc/04/42/14/277044214.db2.gz OGOYEDPTGKRHEW-CVEARBPZSA-N 1 3 282.497 3.080 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376711 277044597 /nfs/dbraw/zinc/04/45/97/277044597.db2.gz JUXJSCGDKSZCSK-JKSUJKDBSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376711 277044598 /nfs/dbraw/zinc/04/45/98/277044598.db2.gz JUXJSCGDKSZCSK-JKSUJKDBSA-N 1 3 290.426 3.489 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC[C@H](C)N)cc1 ZINC000414818499 277702200 /nfs/dbraw/zinc/70/22/00/277702200.db2.gz FEXVFURMKHOKBJ-BMGDILEWSA-N 1 3 290.451 3.437 20 0 CGADHO COc1cccc2c1CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423359861 278036583 /nfs/dbraw/zinc/03/65/83/278036583.db2.gz PSHLISUTDBEWJY-GOSISDBHSA-N 1 3 294.398 3.076 20 0 CGADHO CSC1(C[NH2+][C@@H]2CCCc3occc32)CCN(C)CC1 ZINC000353650607 278125813 /nfs/dbraw/zinc/12/58/13/278125813.db2.gz RSAOGFNZUBXRBX-CQSZACIVSA-N 1 3 294.464 3.074 20 0 CGADHO CSC1(CN[C@@H]2CCCc3occc32)CC[NH+](C)CC1 ZINC000353650607 278125814 /nfs/dbraw/zinc/12/58/14/278125814.db2.gz RSAOGFNZUBXRBX-CQSZACIVSA-N 1 3 294.464 3.074 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000261635943 278209774 /nfs/dbraw/zinc/20/97/74/278209774.db2.gz GICZHZBXQIKWTF-LXTVHRRPSA-N 1 3 293.480 3.147 20 0 CGADHO C[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)CN1CCCCC1 ZINC000397685935 288027372 /nfs/dbraw/zinc/02/73/72/288027372.db2.gz KANHGICEGHCCHZ-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000423292831 278318978 /nfs/dbraw/zinc/31/89/78/278318978.db2.gz OQPQQHADAZDRFW-FZKQIMNGSA-N 1 3 266.388 3.483 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000423291122 278319009 /nfs/dbraw/zinc/31/90/09/278319009.db2.gz GVWGVXYBMKFZHO-WBMJQRKESA-N 1 3 270.376 3.467 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(F)cc1 ZINC000422703314 278622211 /nfs/dbraw/zinc/62/22/11/278622211.db2.gz HQJIKBMIOIEZQJ-CJNGLKHVSA-N 1 3 278.415 3.210 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422903315 288062660 /nfs/dbraw/zinc/06/26/60/288062660.db2.gz FKDSUHYGIRLSFX-HUUCEWRRSA-N 1 3 278.827 3.231 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](Cc1ccccn1)c1ccccc1 ZINC000423055389 288063095 /nfs/dbraw/zinc/06/30/95/288063095.db2.gz VZVIUXLPWJLISB-DAYGRLMNSA-N 1 3 283.419 3.081 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H](C)[C@]1(C)CCCO1 ZINC000340229667 278781888 /nfs/dbraw/zinc/78/18/88/278781888.db2.gz ZLSZQCLLWBSEIK-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422559977 279176609 /nfs/dbraw/zinc/17/66/09/279176609.db2.gz FLWSQYOTXXOZPH-ZWKOTPCHSA-N 1 3 284.447 3.325 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCCS1 ZINC000157944973 279371757 /nfs/dbraw/zinc/37/17/57/279371757.db2.gz MFWPHTUFGZMUNB-KFWWJZLASA-N 1 3 270.486 3.173 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000449444850 279456654 /nfs/dbraw/zinc/45/66/54/279456654.db2.gz DYDAXLFWEGVKJR-GRDNDAEWSA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261574936 288152734 /nfs/dbraw/zinc/15/27/34/288152734.db2.gz BJKGWFDRPQETNG-QCEMKRCNSA-N 1 3 278.827 3.460 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C[C@H](C)O1 ZINC000361746180 288160800 /nfs/dbraw/zinc/16/08/00/288160800.db2.gz UVNSKKCNJZASNA-IGKNDFSCSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)N)c2cccc(Br)c21 ZINC000423281486 280009155 /nfs/dbraw/zinc/00/91/55/280009155.db2.gz BJYVTQVEDIBTEC-CABZTGNLSA-N 1 3 297.240 3.324 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090767 280013136 /nfs/dbraw/zinc/01/31/36/280013136.db2.gz ZEPDHZDRQMHRQR-HWWQOWPSSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090767 280013137 /nfs/dbraw/zinc/01/31/37/280013137.db2.gz ZEPDHZDRQMHRQR-HWWQOWPSSA-N 1 3 278.827 3.400 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000502022766 280265733 /nfs/dbraw/zinc/26/57/33/280265733.db2.gz ZZSYVEPYXPJBON-WCVJEAGWSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1c2ccccc2n(C)c1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423088604 280269816 /nfs/dbraw/zinc/26/98/16/280269816.db2.gz SJARXKNVVBIRHO-HOCLYGCPSA-N 1 3 285.435 3.094 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422802363 280273683 /nfs/dbraw/zinc/27/36/83/280273683.db2.gz BGHGQIQJOZUOHP-CKEIUWERSA-N 1 3 275.440 3.468 20 0 CGADHO CC1(C)CCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530207083 288299754 /nfs/dbraw/zinc/29/97/54/288299754.db2.gz CZOZRBZFXGHAIW-RDGKXADDSA-N 1 3 250.430 3.075 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530210353 288299998 /nfs/dbraw/zinc/29/99/98/288299998.db2.gz JZKKUHBMKRDRMB-NVXWUHKLSA-N 1 3 264.457 3.310 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000211088401 281125925 /nfs/dbraw/zinc/12/59/25/281125925.db2.gz VIKOJLNRJNIREZ-UKPHBRMFSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000211088401 281125927 /nfs/dbraw/zinc/12/59/27/281125927.db2.gz VIKOJLNRJNIREZ-UKPHBRMFSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]CC[C@H]1C)CCC2 ZINC000423137667 281126546 /nfs/dbraw/zinc/12/65/46/281126546.db2.gz WTFSYHOGKFIHCK-FHLIZLRMSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCNC23CCC3)c1 ZINC000530179782 288296356 /nfs/dbraw/zinc/29/63/56/288296356.db2.gz XGNDWQLFBXXFFF-WBVHZDCISA-N 1 3 272.436 3.190 20 0 CGADHO C1CC2(C1)NCC[C@H]2[NH2+][C@@H]1CCCC12CCCCC2 ZINC000530214142 288300942 /nfs/dbraw/zinc/30/09/42/288300942.db2.gz BHHCHZKFVAIFKN-HUUCEWRRSA-N 1 3 262.441 3.364 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000347006377 281375512 /nfs/dbraw/zinc/37/55/12/281375512.db2.gz QAOMOXUZOPUMKE-GVDBMIGSSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000347006377 281375517 /nfs/dbraw/zinc/37/55/17/281375517.db2.gz QAOMOXUZOPUMKE-GVDBMIGSSA-N 1 3 272.436 3.172 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3Cl)C1 ZINC000531715248 288342328 /nfs/dbraw/zinc/34/23/28/288342328.db2.gz HFXXSZWEZGRCBH-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3Cl)C1 ZINC000531715248 288342332 /nfs/dbraw/zinc/34/23/32/288342332.db2.gz HFXXSZWEZGRCBH-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000532454379 288361821 /nfs/dbraw/zinc/36/18/21/288361821.db2.gz UXHVATJZVCYQCF-IRXDYDNUSA-N 1 3 260.425 3.417 20 0 CGADHO CCC(CC)(CCO)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089054 282066386 /nfs/dbraw/zinc/06/63/86/282066386.db2.gz XFDRBCNQZCBNCK-HOTGVXAUSA-N 1 3 284.488 3.076 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034788 289032662 /nfs/dbraw/zinc/03/26/62/289032662.db2.gz ACEZGDDTHNRLMI-NXOAAHMSSA-N 1 3 264.457 3.133 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000550621114 289079190 /nfs/dbraw/zinc/07/91/90/289079190.db2.gz CLKWRFZJIMSLMC-HOTGVXAUSA-N 1 3 264.457 3.421 20 0 CGADHO FC(F)(F)C1CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000554390929 289280933 /nfs/dbraw/zinc/28/09/33/289280933.db2.gz UGRQJXBTDMQPES-UHFFFAOYSA-N 1 3 290.373 3.324 20 0 CGADHO C(C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)C1CCCCCC1 ZINC000554856136 289314054 /nfs/dbraw/zinc/31/40/54/289314054.db2.gz JWPJLEKVLYGTDJ-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO C(C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)C1CCCCCC1 ZINC000554856136 289314057 /nfs/dbraw/zinc/31/40/57/289314057.db2.gz JWPJLEKVLYGTDJ-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414819011 289771617 /nfs/dbraw/zinc/77/16/17/289771617.db2.gz GKOJWQLPXGEZOE-USXIJHARSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)c1ccccn1 ZINC000423143136 298891797 /nfs/dbraw/zinc/89/17/97/298891797.db2.gz CKXVMYLGTNIHNX-HZPDHXFCSA-N 1 3 289.467 3.260 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422719618 299998819 /nfs/dbraw/zinc/99/88/19/299998819.db2.gz YZGUMJJVKOTSJN-XJKSGUPXSA-N 1 3 278.415 3.081 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)o1 ZINC000089145885 301419178 /nfs/dbraw/zinc/41/91/78/301419178.db2.gz AXPXZEFWIALIKN-NJZAAPMLSA-N 1 3 250.386 3.065 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)NC[C@@H]1CC[NH2+]C1 ZINC000420415801 302182842 /nfs/dbraw/zinc/18/28/42/302182842.db2.gz VHVATVJZZMISNB-WBVHZDCISA-N 1 3 260.425 3.281 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000422731193 302589234 /nfs/dbraw/zinc/58/92/34/302589234.db2.gz NCAQFPJTFNLBJA-GMIGKAJZSA-N 1 3 275.440 3.324 20 0 CGADHO FC(F)(F)CCCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420324469 303112496 /nfs/dbraw/zinc/11/24/96/303112496.db2.gz ZSXIMFDVHZOYDD-CYBMUJFWSA-N 1 3 278.362 3.041 20 0 CGADHO FC(F)(F)c1cccc([C@@H]([NH2+]C2CCNCC2)C2CC2)c1 ZINC000423017519 303118790 /nfs/dbraw/zinc/11/87/90/303118790.db2.gz PBRSHTCBCRJUEX-HNNXBMFYSA-N 1 3 298.352 3.498 20 0 CGADHO NC1(C[NH2+][C@H]2CCCNc3ccccc32)CCCCC1 ZINC000333319575 303359872 /nfs/dbraw/zinc/35/98/72/303359872.db2.gz UGHZDISEVMDLMV-INIZCTEOSA-N 1 3 273.424 3.185 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)[C@H]1CCCNC1 ZINC000582713223 329129331 /nfs/dbraw/zinc/12/93/31/329129331.db2.gz DRUSTADKMZQLCD-KKUMJFAQSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000564823097 322045075 /nfs/dbraw/zinc/04/50/75/322045075.db2.gz RGLRKJXSNBGWMD-RWMBFGLXSA-N 1 3 292.389 3.475 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(Sc3ccccc3)CC2)C1 ZINC000565226667 322068428 /nfs/dbraw/zinc/06/84/28/322068428.db2.gz PRAZIBPGDRZWKR-KGLIPLIRSA-N 1 3 276.449 3.171 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000565742393 322089326 /nfs/dbraw/zinc/08/93/26/322089326.db2.gz BKJQJHFMPDWSKM-QRQLOZEOSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000565742393 322089328 /nfs/dbraw/zinc/08/93/28/322089328.db2.gz BKJQJHFMPDWSKM-QRQLOZEOSA-N 1 3 286.463 3.281 20 0 CGADHO CCCn1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000565809547 322091959 /nfs/dbraw/zinc/09/19/59/322091959.db2.gz ZWYPTWVTYJJHMD-UHFFFAOYSA-N 1 3 291.483 3.450 20 0 CGADHO CCCn1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000565809547 322091961 /nfs/dbraw/zinc/09/19/61/322091961.db2.gz ZWYPTWVTYJJHMD-UHFFFAOYSA-N 1 3 291.483 3.450 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000566088415 322103790 /nfs/dbraw/zinc/10/37/90/322103790.db2.gz MNOFRUSIDNJEFE-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C3CCC3)cc2)C1 ZINC000566483442 322125802 /nfs/dbraw/zinc/12/58/02/322125802.db2.gz UGXIGZILXBBJJA-IAGOWNOFSA-N 1 3 258.409 3.314 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000567415586 322162417 /nfs/dbraw/zinc/16/24/17/322162417.db2.gz GRLGEVMBZLQPFR-OAGGEKHMSA-N 1 3 252.446 3.133 20 0 CGADHO COc1cc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1C ZINC000567569249 322168281 /nfs/dbraw/zinc/16/82/81/322168281.db2.gz RCYGWSBAGRNWIH-KRWDZBQOSA-N 1 3 292.467 3.460 20 0 CGADHO CC(C)[C@@H](CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871475 322181039 /nfs/dbraw/zinc/18/10/39/322181039.db2.gz DCHCBOKRIKPUKU-QZTJIDSGSA-N 1 3 272.436 3.112 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000568404747 322207801 /nfs/dbraw/zinc/20/78/01/322207801.db2.gz KPTODZPAQSMIJQ-KSZLIROESA-N 1 3 272.436 3.266 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000568404747 322207804 /nfs/dbraw/zinc/20/78/04/322207804.db2.gz KPTODZPAQSMIJQ-KSZLIROESA-N 1 3 272.436 3.266 20 0 CGADHO COc1ccc(C)cc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000569223175 322239643 /nfs/dbraw/zinc/23/96/43/322239643.db2.gz UOJPSSDTOOGAJS-AWEZNQCLSA-N 1 3 284.403 3.313 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000570985055 322287393 /nfs/dbraw/zinc/28/73/93/322287393.db2.gz CKNQWDMEGBWJGW-XWTMOSNGSA-N 1 3 272.436 3.430 20 0 CGADHO CC1=CC[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)CC1 ZINC000571946258 322313033 /nfs/dbraw/zinc/31/30/33/322313033.db2.gz ZMIKQQLMTPDSCE-KRWDZBQOSA-N 1 3 258.409 3.337 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000572014755 322316112 /nfs/dbraw/zinc/31/61/12/322316112.db2.gz AAJMSUKXLGLHNE-XBFCOCLRSA-N 1 3 250.361 3.055 20 0 CGADHO CC(C)CC[C@H]1CCCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000573249122 322377775 /nfs/dbraw/zinc/37/77/75/322377775.db2.gz VUGPYQWZUWWQJR-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCC[C@H]1C)[C@@H]1CCCNC1 ZINC000584166831 327054391 /nfs/dbraw/zinc/05/43/91/327054391.db2.gz GEYHWWFRUFFPMX-KLHDSHLOSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1cccc(C)c1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000215403768 327233040 /nfs/dbraw/zinc/23/30/40/327233040.db2.gz FTRAHEJZJKLQTR-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1cccc(C)c1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000215403768 327233041 /nfs/dbraw/zinc/23/30/41/327233041.db2.gz FTRAHEJZJKLQTR-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000582514933 329099834 /nfs/dbraw/zinc/09/98/34/329099834.db2.gz ZJUHUNWIQLMHEK-CJNGLKHVSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000582514933 329099835 /nfs/dbraw/zinc/09/98/35/329099835.db2.gz ZJUHUNWIQLMHEK-CJNGLKHVSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000577077690 335296529 /nfs/dbraw/zinc/29/65/29/335296529.db2.gz SBWTYJPSCZSZCJ-UXLLHSPISA-N 1 3 258.409 3.232 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)C(C)(C)c1ccccc1 ZINC000178411927 335430501 /nfs/dbraw/zinc/43/05/01/335430501.db2.gz UAKLFUABJHIVKM-MRXNPFEDSA-N 1 3 274.452 3.428 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000581634820 336115235 /nfs/dbraw/zinc/11/52/35/336115235.db2.gz GXCYJZFVEPVVHI-DOTOQJQBSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000581634820 336115236 /nfs/dbraw/zinc/11/52/36/336115236.db2.gz GXCYJZFVEPVVHI-DOTOQJQBSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423297926 533771637 /nfs/dbraw/zinc/77/16/37/533771637.db2.gz MLVILKONXSDLDF-BLLLJJGKSA-N 1 3 264.388 3.241 20 0 CGADHO COc1cccc2c(C[NH2+]CC3=CCN(C)CC3)cccc12 ZINC000449246282 533835870 /nfs/dbraw/zinc/83/58/70/533835870.db2.gz DFRJCDUUASYDQH-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc2c(c1)CCCC2 ZINC000423337307 533835889 /nfs/dbraw/zinc/83/58/89/533835889.db2.gz VEZMBOFTHHQOPD-ZDUSSCGKSA-N 1 3 258.409 3.097 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1C(C)(C)C ZINC000423322706 533898619 /nfs/dbraw/zinc/89/86/19/533898619.db2.gz OGWNFLFTMBZOPW-LRDDRELGSA-N 1 3 260.425 3.372 20 0 CGADHO CC(C)[C@@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000414904385 517459843 /nfs/dbraw/zinc/45/98/43/517459843.db2.gz JWLSQQJPIHOSRW-MSOLQXFVSA-N 1 3 274.452 3.406 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000037643976 520425756 /nfs/dbraw/zinc/42/57/56/520425756.db2.gz WCBKFVHBUJBOFI-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO CCOc1c(Cl)cccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000262053991 520601646 /nfs/dbraw/zinc/60/16/46/520601646.db2.gz ZWZXMUODVJPPHQ-CYBMUJFWSA-N 1 3 296.842 3.300 20 0 CGADHO C[N@H+](CCCN1CCCC1)CCc1ccccc1Cl ZINC000337277922 522748334 /nfs/dbraw/zinc/74/83/34/522748334.db2.gz SEPKDOWSKNVKPB-UHFFFAOYSA-N 1 3 280.843 3.300 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CCc1ccccc1Cl ZINC000337277922 522748337 /nfs/dbraw/zinc/74/83/37/522748337.db2.gz SEPKDOWSKNVKPB-UHFFFAOYSA-N 1 3 280.843 3.300 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000157851515 523455686 /nfs/dbraw/zinc/45/56/86/523455686.db2.gz IWNDLBVKRGWIKP-JKSUJKDBSA-N 1 3 292.471 3.208 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000157851515 523455693 /nfs/dbraw/zinc/45/56/93/523455693.db2.gz IWNDLBVKRGWIKP-JKSUJKDBSA-N 1 3 292.471 3.208 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C2CC2)c1 ZINC000423390475 534726853 /nfs/dbraw/zinc/72/68/53/534726853.db2.gz OUROXZQNJUYYDB-BZSNNMDCSA-N 1 3 272.436 3.176 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157431600 525089829 /nfs/dbraw/zinc/08/98/29/525089829.db2.gz IXYBPMTUZNBUKL-JYSRZZCRSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157431600 525089833 /nfs/dbraw/zinc/08/98/33/525089833.db2.gz IXYBPMTUZNBUKL-JYSRZZCRSA-N 1 3 284.447 3.457 20 0 CGADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000088164020 525298531 /nfs/dbraw/zinc/29/85/31/525298531.db2.gz KAWVLEHLJMPVLX-RJCAOGMDSA-N 1 3 276.399 3.492 20 0 CGADHO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000088164020 525298532 /nfs/dbraw/zinc/29/85/32/525298532.db2.gz KAWVLEHLJMPVLX-RJCAOGMDSA-N 1 3 276.399 3.492 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(C3CC3)c2)CC[N@@H+]1C ZINC000157700442 525441155 /nfs/dbraw/zinc/44/11/55/525441155.db2.gz XIXLARCEVULNDE-CXAGYDPISA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700442 525441162 /nfs/dbraw/zinc/44/11/62/525441162.db2.gz XIXLARCEVULNDE-CXAGYDPISA-N 1 3 258.409 3.136 20 0 CGADHO c1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c[nH]1 ZINC000086249711 526428937 /nfs/dbraw/zinc/42/89/37/526428937.db2.gz UIBRFTSHMCVEBB-UHFFFAOYSA-N 1 3 283.419 3.290 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000423407613 527830849 /nfs/dbraw/zinc/83/08/49/527830849.db2.gz WDNGJXPIBHOGHI-WCVJEAGWSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423099712 528125177 /nfs/dbraw/zinc/12/51/77/528125177.db2.gz AXNNUFCIXXWWBU-KYJSFNMBSA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000423099712 528125182 /nfs/dbraw/zinc/12/51/82/528125182.db2.gz AXNNUFCIXXWWBU-KYJSFNMBSA-N 1 3 290.451 3.294 20 0 CGADHO CCC[C@H](CN1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427119207 528132347 /nfs/dbraw/zinc/13/23/47/528132347.db2.gz GUWKGIXFWKQRPW-KZNAEPCWSA-N 1 3 272.436 3.254 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354847395 528175314 /nfs/dbraw/zinc/17/53/14/528175314.db2.gz ZOXYNGZXSDGQQH-INIZCTEOSA-N 1 3 284.488 3.245 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354847395 528175317 /nfs/dbraw/zinc/17/53/17/528175317.db2.gz ZOXYNGZXSDGQQH-INIZCTEOSA-N 1 3 284.488 3.245 20 0 CGADHO CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000423379362 528235811 /nfs/dbraw/zinc/23/58/11/528235811.db2.gz XJKLOZOUNOGDBD-MCIONIFRSA-N 1 3 252.427 3.449 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000355912979 528257780 /nfs/dbraw/zinc/25/77/80/528257780.db2.gz MJSYPYVNHSBCDV-CVEARBPZSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000355912979 528257784 /nfs/dbraw/zinc/25/77/84/528257784.db2.gz MJSYPYVNHSBCDV-CVEARBPZSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)c1nc([C@@H](C)NCC2(C)CC[NH2+]CC2)cs1 ZINC000423334133 528300795 /nfs/dbraw/zinc/30/07/95/528300795.db2.gz QOCAZXGFACKGSK-GFCCVEGCSA-N 1 3 281.469 3.307 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000423494089 528315585 /nfs/dbraw/zinc/31/55/85/528315585.db2.gz CUTWAVBQFHTUOZ-QJPTWQEYSA-N 1 3 267.442 3.045 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccc(F)cc1F ZINC000423291527 528950046 /nfs/dbraw/zinc/95/00/46/528950046.db2.gz ISHJRSAEIIPGKQ-LBPRGKRZSA-N 1 3 284.394 3.393 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1coc2ccccc12 ZINC000423291872 528950214 /nfs/dbraw/zinc/95/02/14/528950214.db2.gz KHIJGXPEBGBILX-ZDUSSCGKSA-N 1 3 274.408 3.471 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423287155 528953539 /nfs/dbraw/zinc/95/35/39/528953539.db2.gz KQCAFCZGMWWVGA-NHYWBVRUSA-N 1 3 264.388 3.166 20 0 CGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423419162 528987969 /nfs/dbraw/zinc/98/79/69/528987969.db2.gz ARAFHOSQSZGWHE-VVLHAWIVSA-N 1 3 292.854 3.105 20 0 CGADHO CCC1(C)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444584174 529023388 /nfs/dbraw/zinc/02/33/88/529023388.db2.gz RTBLROGZTYICJX-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO CCSc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423299678 529246860 /nfs/dbraw/zinc/24/68/60/529246860.db2.gz QKKVEXCZVUTQTE-NWDGAFQWSA-N 1 3 252.427 3.044 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423388811 529248011 /nfs/dbraw/zinc/24/80/11/529248011.db2.gz IZEMCECCXSYEGZ-XEZPLFJOSA-N 1 3 278.465 3.447 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093693874 535598257 /nfs/dbraw/zinc/59/82/57/535598257.db2.gz DZPDQUJMJGLAMH-OAHLLOKOSA-N 1 3 285.435 3.332 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093693874 535598259 /nfs/dbraw/zinc/59/82/59/535598259.db2.gz DZPDQUJMJGLAMH-OAHLLOKOSA-N 1 3 285.435 3.332 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccs1 ZINC000037644217 535912797 /nfs/dbraw/zinc/91/27/97/535912797.db2.gz IZMPJXOOCRLFQB-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000037644217 535912802 /nfs/dbraw/zinc/91/28/02/535912802.db2.gz IZMPJXOOCRLFQB-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644217 535912806 /nfs/dbraw/zinc/91/28/06/535912806.db2.gz IZMPJXOOCRLFQB-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cccc(Cl)c2F)C1 ZINC000459732021 536383896 /nfs/dbraw/zinc/38/38/96/536383896.db2.gz LUQCSPXBOSTBIE-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cccc(Cl)c2F)C1 ZINC000459732021 536383897 /nfs/dbraw/zinc/38/38/97/536383897.db2.gz LUQCSPXBOSTBIE-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000480757376 536796956 /nfs/dbraw/zinc/79/69/56/536796956.db2.gz BNOYHDPVAZURDC-MRXNPFEDSA-N 1 3 292.467 3.429 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000480757376 536796961 /nfs/dbraw/zinc/79/69/61/536796961.db2.gz BNOYHDPVAZURDC-MRXNPFEDSA-N 1 3 292.467 3.429 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCNCC1(C)C)c1ccccc1 ZINC000311889013 572350040 /nfs/dbraw/zinc/35/00/40/572350040.db2.gz VZRKOYUOMIQMFB-ZBFHGGJFSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H](CCN[C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000311889013 572350043 /nfs/dbraw/zinc/35/00/43/572350043.db2.gz VZRKOYUOMIQMFB-ZBFHGGJFSA-N 1 3 260.425 3.158 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccs2)C[C@H]1C ZINC000740885045 572466854 /nfs/dbraw/zinc/46/68/54/572466854.db2.gz YKDRNPVQXNSJKK-ZIAGYGMSSA-N 1 3 266.454 3.095 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccs2)C[C@H]1C ZINC000740885045 572466856 /nfs/dbraw/zinc/46/68/56/572466856.db2.gz YKDRNPVQXNSJKK-ZIAGYGMSSA-N 1 3 266.454 3.095 20 0 CGADHO C/C(=C/c1ccccc1)CNCC(C)(C)C[NH+](C)C ZINC000726605541 572588649 /nfs/dbraw/zinc/58/86/49/572588649.db2.gz SIUXBASNRCAUOV-PTNGSMBKSA-N 1 3 260.425 3.267 20 0 CGADHO COc1ccc2nccc(N3CCC(C[NH+](C)C)CC3)c2c1 ZINC000891882517 618362657 /nfs/dbraw/zinc/36/26/57/618362657.db2.gz AGQVBKWNWLOBAZ-UHFFFAOYSA-N 1 3 299.418 3.021 20 0 CGADHO COc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000892589735 618868801 /nfs/dbraw/zinc/86/88/01/618868801.db2.gz OQXLLJKCXHOYBS-GASCZTMLSA-N 1 3 294.439 3.136 20 0 CGADHO COc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000892589735 618868803 /nfs/dbraw/zinc/86/88/03/618868803.db2.gz OQXLLJKCXHOYBS-GASCZTMLSA-N 1 3 294.439 3.136 20 0 CGADHO C(COC1CCCCC1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925599570 619080881 /nfs/dbraw/zinc/08/08/81/619080881.db2.gz BXOAUZZXTHAABQ-MSOLQXFVSA-N 1 3 294.483 3.094 20 0 CGADHO CC(F)(F)CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925673216 619124051 /nfs/dbraw/zinc/12/40/51/619124051.db2.gz AYSBTVLLLLUUSB-KBPBESRZSA-N 1 3 274.399 3.180 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925717221 619163015 /nfs/dbraw/zinc/16/30/15/619163015.db2.gz ATHPPADEGGBFHN-BRWVUGGUSA-N 1 3 294.483 3.235 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CCCC12CC2 ZINC000925720206 619165053 /nfs/dbraw/zinc/16/50/53/619165053.db2.gz WKLJLMUHRRHSQI-ULQDDVLXSA-N 1 3 276.468 3.325 20 0 CGADHO CC[C@H](N[C@H](C)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000925780167 619242730 /nfs/dbraw/zinc/24/27/30/619242730.db2.gz SAYONKKGTOVIHP-ACJLOTCBSA-N 1 3 268.404 3.488 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094371277 619244812 /nfs/dbraw/zinc/24/48/12/619244812.db2.gz ZLNQVYMZLBMNPJ-DLBZAZTESA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000317201035 619245611 /nfs/dbraw/zinc/24/56/11/619245611.db2.gz YPVVJJGYCKQNFQ-BBWFWOEESA-N 1 3 298.434 3.032 20 0 CGADHO CCSc1ccccc1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925834883 619286391 /nfs/dbraw/zinc/28/63/91/619286391.db2.gz JEESCDVBBCBRCO-HZPDHXFCSA-N 1 3 290.476 3.201 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(Br)cc1 ZINC000261563359 619289322 /nfs/dbraw/zinc/28/93/22/619289322.db2.gz BURIIBKBSAGZSE-BREBYQMCSA-N 1 3 285.229 3.226 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925840345 619290208 /nfs/dbraw/zinc/29/02/08/619290208.db2.gz VEIZCMLTRYHJGM-LCGIIJARSA-N 1 3 294.389 3.013 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924961906 619463298 /nfs/dbraw/zinc/46/32/98/619463298.db2.gz XDZJNHFPWGOVNE-SJORKVTESA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895291683 619797039 /nfs/dbraw/zinc/79/70/39/619797039.db2.gz AXEOFTUTHVAAMM-GVDBMIGSSA-N 1 3 289.467 3.346 20 0 CGADHO Cc1c(CN(C)CCCC[NH+]2CCCCC2)ccnc1F ZINC000895682517 619872222 /nfs/dbraw/zinc/87/22/22/619872222.db2.gz GJPHPIMUEFXJAQ-UHFFFAOYSA-N 1 3 293.430 3.227 20 0 CGADHO Cc1ccc(CNC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000035054348 620289877 /nfs/dbraw/zinc/28/98/77/620289877.db2.gz JEBKLLSVKYPJAZ-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)CN1CCCCC1 ZINC000924720477 620576520 /nfs/dbraw/zinc/57/65/20/620576520.db2.gz IWLDRMJFJJCOFM-HJOIGYKYSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@]23C[C@H]2CCC3)CC1 ZINC000927121368 620580148 /nfs/dbraw/zinc/58/01/48/620580148.db2.gz LYLFIXJTSNBVJD-WBVHZDCISA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)c1nc(CCN[C@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902349310 621259757 /nfs/dbraw/zinc/25/97/57/621259757.db2.gz YTJFOTBHVRKAKS-ZDUSSCGKSA-N 1 3 295.496 3.177 20 0 CGADHO C/C=C\CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902398471 621304987 /nfs/dbraw/zinc/30/49/87/621304987.db2.gz PWTZXPCMCCPGCY-MPNWYJEXSA-N 1 3 268.351 3.301 20 0 CGADHO Cc1nc(-c2cc([C@@H](C)[NH2+]CC3(N)CC3)cs2)cs1 ZINC000902415105 621324707 /nfs/dbraw/zinc/32/47/07/621324707.db2.gz AOMGWRALWPZJCE-SECBINFHSA-N 1 3 293.461 3.322 20 0 CGADHO FC1(F)CCC(CC[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000902455083 621332630 /nfs/dbraw/zinc/33/26/30/621332630.db2.gz ILWGRKSUGPWORV-CYBMUJFWSA-N 1 3 272.383 3.076 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)O1 ZINC000902462029 621336688 /nfs/dbraw/zinc/33/66/88/621336688.db2.gz SGNXFAASEHANNC-ZACQAIPSSA-N 1 3 294.483 3.092 20 0 CGADHO CC1(C)CCC[C@H](CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)O1 ZINC000902462029 621336693 /nfs/dbraw/zinc/33/66/93/621336693.db2.gz SGNXFAASEHANNC-ZACQAIPSSA-N 1 3 294.483 3.092 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902736514 621418949 /nfs/dbraw/zinc/41/89/49/621418949.db2.gz UFEDGVONOVORHJ-MSOLQXFVSA-N 1 3 296.499 3.292 20 0 CGADHO C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@H]1CCCN(CC2CC2)C1 ZINC000903060089 621549046 /nfs/dbraw/zinc/54/90/46/621549046.db2.gz ZVCDYTARHBEBJM-ZJPYXAASSA-N 1 3 276.468 3.277 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903126723 621590739 /nfs/dbraw/zinc/59/07/39/621590739.db2.gz UQBIWGDWRQFKHA-IRXDYDNUSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903379870 621721965 /nfs/dbraw/zinc/72/19/65/621721965.db2.gz ZRUAZLRRZMIJAF-IAGOWNOFSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@@H](NC/C=C/Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000903443378 621754312 /nfs/dbraw/zinc/75/43/12/621754312.db2.gz GXDQCIYKFBDQOK-OQHXTRMZSA-N 1 3 282.815 3.030 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCSC[C@@H]1c1ccccc1 ZINC000903481764 621765201 /nfs/dbraw/zinc/76/52/01/621765201.db2.gz MCJMFQOZOOBHCW-HYVNUMGLSA-N 1 3 290.476 3.022 20 0 CGADHO FCc1ccccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903752007 621800278 /nfs/dbraw/zinc/80/02/78/621800278.db2.gz OEOYUPIXLBHSGV-DOTOQJQBSA-N 1 3 276.399 3.120 20 0 CGADHO CC(C)(NCc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000903898405 621829456 /nfs/dbraw/zinc/82/94/56/621829456.db2.gz LEKDUICMZCVMLQ-UHFFFAOYSA-N 1 3 298.405 3.496 20 0 CGADHO Cc1cc(CNCc2cccc3c2CC[NH2+]C3)ccc1F ZINC000903922723 621833414 /nfs/dbraw/zinc/83/34/14/621833414.db2.gz CROTVRRKCOVTRU-UHFFFAOYSA-N 1 3 284.378 3.070 20 0 CGADHO CC(C)c1ccc(CCNC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903956438 621843296 /nfs/dbraw/zinc/84/32/96/621843296.db2.gz LTURFSXMRNIHJD-MRXNPFEDSA-N 1 3 296.405 3.187 20 0 CGADHO C[C@H](Cc1cccs1)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904362010 621913191 /nfs/dbraw/zinc/91/31/91/621913191.db2.gz FRKRRVPXZLTOLT-OLZOCXBDSA-N 1 3 268.470 3.422 20 0 CGADHO [NH3+]CCC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904376284 621916677 /nfs/dbraw/zinc/91/66/77/621916677.db2.gz ODAIOEUBQRINKV-UHFFFAOYSA-N 1 3 286.341 3.324 20 0 CGADHO CCCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000151041498 622726104 /nfs/dbraw/zinc/72/61/04/622726104.db2.gz MTVVTUHMCJSGPD-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO Cc1ccccc1C[NH2+]C1CCN(CC(C)C)CC1 ZINC000221809390 622807184 /nfs/dbraw/zinc/80/71/84/622807184.db2.gz ODGWSKANDLBSCU-UHFFFAOYSA-N 1 3 260.425 3.205 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc2ccccc21 ZINC000261783194 623592160 /nfs/dbraw/zinc/59/21/60/623592160.db2.gz PTUYYVRWBWCSLY-DEYYWGMASA-N 1 3 268.404 3.488 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccc2ccccc21 ZINC000261783194 623592168 /nfs/dbraw/zinc/59/21/68/623592168.db2.gz PTUYYVRWBWCSLY-DEYYWGMASA-N 1 3 268.404 3.488 20 0 CGADHO CC[C@H](NCCC[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000152544708 623687537 /nfs/dbraw/zinc/68/75/37/623687537.db2.gz JYEHCUPAKRCJDJ-INIZCTEOSA-N 1 3 276.424 3.004 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc(Oc2ccccn2)c1)CN(C)C ZINC000922140501 625972133 /nfs/dbraw/zinc/97/21/33/625972133.db2.gz QKTBBNLSLTYATC-HNNXBMFYSA-N 1 3 299.418 3.161 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2cc(F)ccc2F)CC1 ZINC000922848470 626058205 /nfs/dbraw/zinc/05/82/05/626058205.db2.gz SSPACBOFAKFFLW-UHFFFAOYSA-N 1 3 294.389 3.461 20 0 CGADHO C[C@@H]([NH2+]CCCCCCCO)[C@H]1CCCN(C2CCC2)C1 ZINC000754463358 626572869 /nfs/dbraw/zinc/57/28/69/626572869.db2.gz AEPITNCKFHGPAV-SJORKVTESA-N 1 3 296.499 3.172 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000759381530 626892577 /nfs/dbraw/zinc/89/25/77/626892577.db2.gz ZCXAJZHRGVTBMJ-IKGGRYGDSA-N 1 3 284.488 3.122 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000759381530 626892581 /nfs/dbraw/zinc/89/25/81/626892581.db2.gz ZCXAJZHRGVTBMJ-IKGGRYGDSA-N 1 3 284.488 3.122 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000759381532 626892755 /nfs/dbraw/zinc/89/27/55/626892755.db2.gz ZCXAJZHRGVTBMJ-ZACQAIPSSA-N 1 3 284.488 3.122 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000759381532 626892759 /nfs/dbraw/zinc/89/27/59/626892759.db2.gz ZCXAJZHRGVTBMJ-ZACQAIPSSA-N 1 3 284.488 3.122 20 0 CGADHO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000769550712 627565196 /nfs/dbraw/zinc/56/51/96/627565196.db2.gz DPJVSYCSGBVELD-FEPKRQSRSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cccnc1Cl ZINC000774494023 627998849 /nfs/dbraw/zinc/99/88/49/627998849.db2.gz BTBHJCQRIXQKMI-LBPRGKRZSA-N 1 3 293.842 3.260 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292981 628479188 /nfs/dbraw/zinc/47/91/88/628479188.db2.gz OZIMITGKCBVTFE-HKUYNNGSSA-N 1 3 298.474 3.380 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292981 628479189 /nfs/dbraw/zinc/47/91/89/628479189.db2.gz OZIMITGKCBVTFE-HKUYNNGSSA-N 1 3 298.474 3.380 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292928 628479773 /nfs/dbraw/zinc/47/97/73/628479773.db2.gz OJFWNXMSOVUHGD-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292928 628479775 /nfs/dbraw/zinc/47/97/75/628479775.db2.gz OJFWNXMSOVUHGD-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292928 628479777 /nfs/dbraw/zinc/47/97/77/628479777.db2.gz OJFWNXMSOVUHGD-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292928 628479780 /nfs/dbraw/zinc/47/97/80/628479780.db2.gz OJFWNXMSOVUHGD-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@@H]1CCNC12CCC2 ZINC000863543202 629601920 /nfs/dbraw/zinc/60/19/20/629601920.db2.gz WTQFFIRBOCTYLX-MHYDHLEJSA-N 1 3 296.458 3.054 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000863549103 629604677 /nfs/dbraw/zinc/60/46/77/629604677.db2.gz ZSYGZALAHSXMRA-PKFCDNJMSA-N 1 3 252.789 3.043 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796832060 629843753 /nfs/dbraw/zinc/84/37/53/629843753.db2.gz LTDCHKGEJJMERX-CGTJXYLNSA-N 1 3 272.436 3.266 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796832060 629843758 /nfs/dbraw/zinc/84/37/58/629843758.db2.gz LTDCHKGEJJMERX-CGTJXYLNSA-N 1 3 272.436 3.266 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777960 634791897 /nfs/dbraw/zinc/79/18/97/634791897.db2.gz VBGRHDIVNMUTJG-IAGOWNOFSA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777960 634791903 /nfs/dbraw/zinc/79/19/03/634791903.db2.gz VBGRHDIVNMUTJG-IAGOWNOFSA-N 1 3 290.451 3.036 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000815583481 631800868 /nfs/dbraw/zinc/80/08/68/631800868.db2.gz HEGCTHZODXBNMS-YDHLFZDLSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000815583481 631800872 /nfs/dbraw/zinc/80/08/72/631800872.db2.gz HEGCTHZODXBNMS-YDHLFZDLSA-N 1 3 264.388 3.267 20 0 CGADHO C[C@@H]1[C@@H](C)CN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000816648552 632034496 /nfs/dbraw/zinc/03/44/96/632034496.db2.gz MAQGKZURLWNCMY-JKSUJKDBSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@@H]1[C@@H](C)CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000816648552 632034505 /nfs/dbraw/zinc/03/45/05/632034505.db2.gz MAQGKZURLWNCMY-JKSUJKDBSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000816648244 632034799 /nfs/dbraw/zinc/03/47/99/632034799.db2.gz HMBWCJAITRCQGC-HZPDHXFCSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(SC(F)F)cc1 ZINC000817938960 632238992 /nfs/dbraw/zinc/23/89/92/632238992.db2.gz WLUKESNXXIDIDE-SECBINFHSA-N 1 3 260.353 3.001 20 0 CGADHO COc1c(C)cc([C@@H](C)NCC[C@H](C)[NH3+])cc1Cl ZINC000817953499 632249418 /nfs/dbraw/zinc/24/94/18/632249418.db2.gz PXDMRKIHHBITSQ-WDEREUQCSA-N 1 3 270.804 3.045 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000817969877 632263043 /nfs/dbraw/zinc/26/30/43/632263043.db2.gz HDKGEZSEWNSNHX-RRFJBIMHSA-N 1 3 276.424 3.233 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817972669 632266082 /nfs/dbraw/zinc/26/60/82/632266082.db2.gz ZPALWPLRPGRYQI-SDNTUTLCSA-N 1 3 276.399 3.192 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000817986015 632273963 /nfs/dbraw/zinc/27/39/63/632273963.db2.gz PBFDPFNPGXMKAG-OLZOCXBDSA-N 1 3 270.486 3.171 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000817986015 632273968 /nfs/dbraw/zinc/27/39/68/632273968.db2.gz PBFDPFNPGXMKAG-OLZOCXBDSA-N 1 3 270.486 3.171 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584194 633203198 /nfs/dbraw/zinc/20/31/98/633203198.db2.gz NKAMVIPLOOHGCZ-ZOBUZTSGSA-N 1 3 258.409 3.082 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584194 633203202 /nfs/dbraw/zinc/20/32/02/633203202.db2.gz NKAMVIPLOOHGCZ-ZOBUZTSGSA-N 1 3 258.409 3.082 20 0 CGADHO CC(C)[NH+]1CCC(NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824772968 633286113 /nfs/dbraw/zinc/28/61/13/633286113.db2.gz IMFFERAQZBKHQJ-LBPRGKRZSA-N 1 3 279.255 3.033 20 0 CGADHO CCC1([NH+]2CCCCC2)CCN(CC2CCOCC2)CC1 ZINC000880255706 635958662 /nfs/dbraw/zinc/95/86/62/635958662.db2.gz VWHONYLYWAPLTD-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1CN)C(F)(F)F ZINC000873247353 634299342 /nfs/dbraw/zinc/29/93/42/634299342.db2.gz LKAPVJREDXWGKC-GHMZBOCLSA-N 1 3 266.351 3.072 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3ccccc3F)CC2)CC1 ZINC000877685173 635144919 /nfs/dbraw/zinc/14/49/19/635144919.db2.gz OPZXHXRTJSBEAH-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO C(CC1CC1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285484 635443222 /nfs/dbraw/zinc/44/32/22/635443222.db2.gz AMUBBRUEVUYWPZ-DOTOQJQBSA-N 1 3 262.441 3.125 20 0 CGADHO C(CC1CC1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285484 635443228 /nfs/dbraw/zinc/44/32/28/635443228.db2.gz AMUBBRUEVUYWPZ-DOTOQJQBSA-N 1 3 262.441 3.125 20 0 CGADHO CC1(N2CCC2)CC[NH+](CCCOc2ccccc2)CC1 ZINC000880470003 636006458 /nfs/dbraw/zinc/00/64/58/636006458.db2.gz FYCPFDBPXFMJJL-UHFFFAOYSA-N 1 3 288.435 3.016 20 0 CGADHO CC1(C)C[C@H](CN2CCC([NH2+]CC3CC3)CC2)C(C)(C)O1 ZINC000883417618 636749256 /nfs/dbraw/zinc/74/92/56/636749256.db2.gz HSRIZCFPBTWRIH-OAHLLOKOSA-N 1 3 294.483 3.044 20 0 CGADHO FC1(F)CCC[C@@H]1CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000883423952 636750334 /nfs/dbraw/zinc/75/03/34/636750334.db2.gz ABCOHGCXMJGGSB-KFWWJZLASA-N 1 3 286.410 3.276 20 0 CGADHO Cc1cc(C[N@@H+]2CCNCCC23CCC3)c2ccccc2n1 ZINC000883459453 636761715 /nfs/dbraw/zinc/76/17/15/636761715.db2.gz XVSVLJSUZLDBBK-UHFFFAOYSA-N 1 3 295.430 3.261 20 0 CGADHO Cc1cc(C[N@H+]2CCNCCC23CCC3)c2ccccc2n1 ZINC000883459453 636761720 /nfs/dbraw/zinc/76/17/20/636761720.db2.gz XVSVLJSUZLDBBK-UHFFFAOYSA-N 1 3 295.430 3.261 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2ccsc2)c2ccccc21 ZINC000132054035 636779036 /nfs/dbraw/zinc/77/90/36/636779036.db2.gz YYFXGLVVAYDUFY-GJZGRUSLSA-N 1 3 258.390 3.025 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850174789 636973908 /nfs/dbraw/zinc/97/39/08/636973908.db2.gz USLPTCUCCFVLDA-KBPBESRZSA-N 1 3 289.448 3.259 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000850439729 637065336 /nfs/dbraw/zinc/06/53/36/637065336.db2.gz NXMPRKRRQIXNPV-DGXTUMSLSA-N 1 3 264.457 3.274 20 0 CGADHO CO[C@@H]1CC[C@@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750414 637492436 /nfs/dbraw/zinc/49/24/36/637492436.db2.gz FDEBHBFZEXPIPE-RCCFBDPRSA-N 1 3 294.483 3.142 20 0 CGADHO c1cc(CCCN2CCCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000886874248 637715284 /nfs/dbraw/zinc/71/52/84/637715284.db2.gz KAQMTUXCDBKOAI-MRXNPFEDSA-N 1 3 278.465 3.146 20 0 CGADHO CC(C)CCN1CCC([NH2+]Cc2cccs2)CC1 ZINC000924557858 638361222 /nfs/dbraw/zinc/36/12/22/638361222.db2.gz UBKHSOHJKXQHBN-UHFFFAOYSA-N 1 3 266.454 3.348 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2CCSCC2)CC1 ZINC000925050576 638442331 /nfs/dbraw/zinc/44/23/31/638442331.db2.gz FQPIXEGTYCARJI-UHFFFAOYSA-N 1 3 284.513 3.230 20 0 CGADHO COc1nc(C)cc(C)c1CN(C)CCCCCCC[NH3+] ZINC000857087579 638456607 /nfs/dbraw/zinc/45/66/07/638456607.db2.gz UWZIRTMIYDQSAW-UHFFFAOYSA-N 1 3 293.455 3.048 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925503415 638512851 /nfs/dbraw/zinc/51/28/51/638512851.db2.gz JJNZZRNOLDWXSA-YVSFHVDLSA-N 1 3 296.524 3.419 20 0 CGADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925522112 638517340 /nfs/dbraw/zinc/51/73/40/638517340.db2.gz FMIDVJXIWSRIGH-FZKCQIBNSA-N 1 3 282.497 3.028 20 0 CGADHO CC[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925523859 638519343 /nfs/dbraw/zinc/51/93/43/638519343.db2.gz VOPMVKFIVKAENK-KKUMJFAQSA-N 1 3 261.413 3.028 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000925563772 638530395 /nfs/dbraw/zinc/53/03/95/638530395.db2.gz WBLACQZEDDULPA-QGZVFWFLSA-N 1 3 288.435 3.028 20 0 CGADHO CC(C)CSCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925626506 638547748 /nfs/dbraw/zinc/54/77/48/638547748.db2.gz RHPKJZCTYYDZDZ-HZPDHXFCSA-N 1 3 284.513 3.134 20 0 CGADHO C[C@@]1(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000925678286 638567422 /nfs/dbraw/zinc/56/74/22/638567422.db2.gz UOHNMGXLVRSZHN-UIBIWLFHSA-N 1 3 272.436 3.428 20 0 CGADHO [NH3+]CCC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1ccccc1 ZINC000925706057 638574043 /nfs/dbraw/zinc/57/40/43/638574043.db2.gz DXSPXDJRZGLKPS-GBESFXJTSA-N 1 3 296.414 3.235 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925720823 638581265 /nfs/dbraw/zinc/58/12/65/638581265.db2.gz UUVZOOOAOIVEDQ-AGIUHOORSA-N 1 3 288.426 3.424 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNc2ccnc(CO)c2)cc1 ZINC000858326742 638682195 /nfs/dbraw/zinc/68/21/95/638682195.db2.gz CIUDVGFFMGDWBU-UHFFFAOYSA-N 1 3 299.418 3.028 20 0 CGADHO C[C@H](CC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)N1CCCCC1 ZINC000926146357 638722273 /nfs/dbraw/zinc/72/22/73/638722273.db2.gz UTYBMFGTLWOFGD-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 ZINC000926187591 638733443 /nfs/dbraw/zinc/73/34/43/638733443.db2.gz DCGXIUCRVJNWER-GFCCVEGCSA-N 1 3 280.378 3.427 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000926411367 638767946 /nfs/dbraw/zinc/76/79/46/638767946.db2.gz ZKSQHGKCMUWFKL-UHFFFAOYSA-N 1 3 292.389 3.429 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926523304 638781054 /nfs/dbraw/zinc/78/10/54/638781054.db2.gz WPEFIGCONNIXIJ-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCC(C)(C)F)CC1 ZINC000926699117 638800435 /nfs/dbraw/zinc/80/04/35/638800435.db2.gz MUWZRSWSNHEOQW-UHFFFAOYSA-N 1 3 258.425 3.225 20 0 CGADHO Cc1noc(C)c1[C@H](C)NCCC1CC[NH+](C(C)C)CC1 ZINC000926792042 638812461 /nfs/dbraw/zinc/81/24/61/638812461.db2.gz WONPJXTUDFLRPP-ZDUSSCGKSA-N 1 3 293.455 3.453 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCSc2ccccc21 ZINC000250842843 640817379 /nfs/dbraw/zinc/81/73/79/640817379.db2.gz GLSYEOAXPLLOHU-CFVMTHIKSA-N 1 3 276.449 3.331 20 0 CGADHO CC(C)(C)c1cc(Nc2cnc3c(c2)C[NH2+]CC3)ccn1 ZINC001159140999 806050605 /nfs/dbraw/zinc/05/06/05/806050605.db2.gz UBIVYMYUMMCCSR-UHFFFAOYSA-N 1 3 282.391 3.163 20 0 CGADHO CC(C)(C)c1cc(Nc2cccc(N3CC([NH3+])C3)c2)ccn1 ZINC001159988937 806209546 /nfs/dbraw/zinc/20/95/46/806209546.db2.gz HAWAKFWKCZYRBZ-UHFFFAOYSA-N 1 3 296.418 3.270 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCNCCc2ccc(F)cc2)C1 ZINC001254328512 806381543 /nfs/dbraw/zinc/38/15/43/806381543.db2.gz MHCSYCKKQQPHOQ-HOTGVXAUSA-N 1 3 292.442 3.326 20 0 CGADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@H]1CCC[N@H+](C)CC1 ZINC001254507196 806427406 /nfs/dbraw/zinc/42/74/06/806427406.db2.gz JIYVKBFFUMORIC-HOCLYGCPSA-N 1 3 298.434 3.227 20 0 CGADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@H]1CCC[N@@H+](C)CC1 ZINC001254507196 806427411 /nfs/dbraw/zinc/42/74/11/806427411.db2.gz JIYVKBFFUMORIC-HOCLYGCPSA-N 1 3 298.434 3.227 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CCC[N@H+](C)CC2)ccc1F ZINC001254507134 806427681 /nfs/dbraw/zinc/42/76/81/806427681.db2.gz HJGMMYCYTDCPKV-UKRRQHHQSA-N 1 3 264.388 3.269 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CCC[N@@H+](C)CC2)ccc1F ZINC001254507134 806427686 /nfs/dbraw/zinc/42/76/86/806427686.db2.gz HJGMMYCYTDCPKV-UKRRQHHQSA-N 1 3 264.388 3.269 20 0 CGADHO CCOc1cccc([C@@H](C)N[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254509264 806428146 /nfs/dbraw/zinc/42/81/46/806428146.db2.gz XPSBXHNUBREXIM-ZBFHGGJFSA-N 1 3 276.424 3.220 20 0 CGADHO CCOc1cccc([C@@H](C)N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509264 806428148 /nfs/dbraw/zinc/42/81/48/806428148.db2.gz XPSBXHNUBREXIM-ZBFHGGJFSA-N 1 3 276.424 3.220 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524786 806438643 /nfs/dbraw/zinc/43/86/43/806438643.db2.gz ZIKIQYDVPXAAHJ-LSDHHAIUSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CC[C@H](c3ccccc3F)C2)CC1 ZINC001254524786 806438649 /nfs/dbraw/zinc/43/86/49/806438649.db2.gz ZIKIQYDVPXAAHJ-LSDHHAIUSA-N 1 3 276.399 3.099 20 0 CGADHO CCN(Cc1cccs1)[C@H]1CCC[N@H+](C)CC1 ZINC001254530247 806441820 /nfs/dbraw/zinc/44/18/20/806441820.db2.gz VSRHIPULUTULBQ-ZDUSSCGKSA-N 1 3 252.427 3.054 20 0 CGADHO CCN(Cc1cccs1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530247 806441825 /nfs/dbraw/zinc/44/18/25/806441825.db2.gz VSRHIPULUTULBQ-ZDUSSCGKSA-N 1 3 252.427 3.054 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254529824 806441930 /nfs/dbraw/zinc/44/19/30/806441930.db2.gz RIYDAPKJGKBZBL-DLBZAZTESA-N 1 3 273.424 3.011 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529824 806441935 /nfs/dbraw/zinc/44/19/35/806441935.db2.gz RIYDAPKJGKBZBL-DLBZAZTESA-N 1 3 273.424 3.011 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255501136 806654467 /nfs/dbraw/zinc/65/44/67/806654467.db2.gz VCWOWIJSAKLSLJ-XNIRIUNOSA-N 1 3 278.484 3.475 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C3CCC(C(C)(C)C)CC3)C[C@@H]2C1 ZINC001255501136 806654470 /nfs/dbraw/zinc/65/44/70/806654470.db2.gz VCWOWIJSAKLSLJ-XNIRIUNOSA-N 1 3 278.484 3.475 20 0 CGADHO Cc1cc2cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc2cn1 ZINC001162988323 806691223 /nfs/dbraw/zinc/69/12/23/806691223.db2.gz VOLQHXDTJMGVPJ-DLBZAZTESA-N 1 3 267.376 3.240 20 0 CGADHO CC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001255667714 806700544 /nfs/dbraw/zinc/70/05/44/806700544.db2.gz PWYBHZFWSZDURN-NPYXIHBLSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001255667714 806700546 /nfs/dbraw/zinc/70/05/46/806700546.db2.gz PWYBHZFWSZDURN-NPYXIHBLSA-N 1 3 273.424 3.138 20 0 CGADHO CCc1cccc2c(CN3CC[C@@H](C)[C@H](C[NH3+])C3)c[nH]c21 ZINC000163394374 799082401 /nfs/dbraw/zinc/08/24/01/799082401.db2.gz DIRZVVFCWAYYTC-UKRRQHHQSA-N 1 3 285.435 3.147 20 0 CGADHO [NH3+]C1(c2ccc(N[C@H]3CNCc4ccsc43)cc2)CCC1 ZINC001163227846 806728415 /nfs/dbraw/zinc/72/84/15/806728415.db2.gz CXLRKZZNFWPSMZ-HNNXBMFYSA-N 1 3 299.443 3.342 20 0 CGADHO c1cc2c(s1)[C@H](Nc1cc[nH+]c(C3CC3)c1)CNC2 ZINC001163228947 806730891 /nfs/dbraw/zinc/73/08/91/806730891.db2.gz FNIVPJPAIRDLEN-CQSZACIVSA-N 1 3 271.389 3.277 20 0 CGADHO C[C@@H](C[NH2+]C1CCC(C(C)(C)C)CC1)CN(C)C ZINC000386576593 799437639 /nfs/dbraw/zinc/43/76/39/799437639.db2.gz YWKVVDNFHFNYTD-NFOMZHRRSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403514020 799567445 /nfs/dbraw/zinc/56/74/45/799567445.db2.gz AKLYCNBNPZKHRE-WZYMTQMTSA-N 1 3 282.497 3.267 20 0 CGADHO CC(C)C1=[NH+]CCc2ccc(N[C@H]3CN4CCC3CC4)cc21 ZINC001163394022 806757173 /nfs/dbraw/zinc/75/71/73/806757173.db2.gz BQGHYXCZYBFNGI-SFHVURJKSA-N 1 3 297.446 3.194 20 0 CGADHO C[C@@]1(N)CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000405834288 799586931 /nfs/dbraw/zinc/58/69/31/799586931.db2.gz UTRRBHLJDUBRKG-LJQANCHMSA-N 1 3 280.415 3.242 20 0 CGADHO C[C@@]1(N)CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000405834288 799586933 /nfs/dbraw/zinc/58/69/33/799586933.db2.gz UTRRBHLJDUBRKG-LJQANCHMSA-N 1 3 280.415 3.242 20 0 CGADHO CCN(CCC[NH+](C)C)[C@@H](C)Cc1ccccc1F ZINC001255858631 806771482 /nfs/dbraw/zinc/77/14/82/806771482.db2.gz ZETINFBWYIQJPX-AWEZNQCLSA-N 1 3 266.404 3.030 20 0 CGADHO Cc1ccc(C2CC([NH2+]CC[C@@H](C)N(C)C)C2)cc1 ZINC000697905277 799849422 /nfs/dbraw/zinc/84/94/22/799849422.db2.gz SQBSAARPRVZMBI-ODIFPOPNSA-N 1 3 260.425 3.171 20 0 CGADHO C[C@@H](CC[NH2+]Cc1ccc(Cl)c2cccnc12)N(C)C ZINC000697853609 799849522 /nfs/dbraw/zinc/84/95/22/799849522.db2.gz UNCOFOYOLZRBRV-LBPRGKRZSA-N 1 3 291.826 3.318 20 0 CGADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700830267 799881687 /nfs/dbraw/zinc/88/16/87/799881687.db2.gz HQCPLSGDQINCDS-HNNXBMFYSA-N 1 3 260.425 3.071 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1cccs1 ZINC001255939348 806790256 /nfs/dbraw/zinc/79/02/56/806790256.db2.gz CFHRWRCPWPGWDL-CYBMUJFWSA-N 1 3 254.443 3.001 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCOc1ccccc1 ZINC001255942792 806791862 /nfs/dbraw/zinc/79/18/62/806791862.db2.gz BCXDFCYBPMDANT-INIZCTEOSA-N 1 3 278.440 3.166 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001255948015 806793769 /nfs/dbraw/zinc/79/37/69/806793769.db2.gz CKPMOHDSTUMTNC-AWEZNQCLSA-N 1 3 284.488 3.433 20 0 CGADHO C[C@H](NC1CCC(C)([NH+](C)C)CC1)c1cscn1 ZINC000715530014 800137819 /nfs/dbraw/zinc/13/78/19/800137819.db2.gz WIQCMAVKKVBAIO-DCBWTQNWSA-N 1 3 267.442 3.057 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715582074 800139888 /nfs/dbraw/zinc/13/98/88/800139888.db2.gz WSXRBPWOULMDLX-XYPHTWIQSA-N 1 3 278.415 3.219 20 0 CGADHO C=Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC001256067893 806809446 /nfs/dbraw/zinc/80/94/46/806809446.db2.gz MVJITLKEFVAAFE-UHFFFAOYSA-N 1 3 256.393 3.046 20 0 CGADHO CCC[C@H](NC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC001256070967 806810514 /nfs/dbraw/zinc/81/05/14/806810514.db2.gz JOKRWKXUQIOYAS-KRWDZBQOSA-N 1 3 273.424 3.139 20 0 CGADHO Cc1cncc([C@H](NC2CC[NH+](C3CC3)CC2)C2CC2)c1 ZINC001256074106 806813159 /nfs/dbraw/zinc/81/31/59/806813159.db2.gz LFLCYBVKTFNEHY-GOSISDBHSA-N 1 3 285.435 3.058 20 0 CGADHO COc1cccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC001256153987 806837047 /nfs/dbraw/zinc/83/70/47/806837047.db2.gz RQZPXODKNIMLLQ-USXIJHARSA-N 1 3 290.451 3.089 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477045 807175533 /nfs/dbraw/zinc/17/55/33/807175533.db2.gz ICXMFQRQGGZBMX-TWMKSMIVSA-N 1 3 266.473 3.475 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477045 807175536 /nfs/dbraw/zinc/17/55/36/807175536.db2.gz ICXMFQRQGGZBMX-TWMKSMIVSA-N 1 3 266.473 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371008 806874120 /nfs/dbraw/zinc/87/41/20/806874120.db2.gz FCVSUGFQJOHWKF-OAGGEKHMSA-N 1 3 252.446 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371008 806874125 /nfs/dbraw/zinc/87/41/25/806874125.db2.gz FCVSUGFQJOHWKF-OAGGEKHMSA-N 1 3 252.446 3.085 20 0 CGADHO CCOC1CCC(N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001256448134 806901358 /nfs/dbraw/zinc/90/13/58/806901358.db2.gz UDBCQFQCQZUMMN-UHFFFAOYSA-N 1 3 294.483 3.284 20 0 CGADHO C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccs1 ZINC001256676421 806946300 /nfs/dbraw/zinc/94/63/00/806946300.db2.gz COLBXHMTONVRGA-NFOMZHRRSA-N 1 3 294.464 3.042 20 0 CGADHO CC[C@H](C)C[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682768 806947407 /nfs/dbraw/zinc/94/74/07/806947407.db2.gz PUDQMMHMJGFIKA-NJINODPHSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)OC(=O)CC[C@@H](C)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001172757230 808431692 /nfs/dbraw/zinc/43/16/92/808431692.db2.gz VGMMDFYOXOIPOK-CYBMUJFWSA-N 1 3 298.471 3.087 20 0 CGADHO CC(C)OC(=O)CC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172757230 808431696 /nfs/dbraw/zinc/43/16/96/808431696.db2.gz VGMMDFYOXOIPOK-CYBMUJFWSA-N 1 3 298.471 3.087 20 0 CGADHO c1nc2ccc(C3=CNCCC3)cc2n1[C@H]1CCC[NH2+]CC1 ZINC001243951775 803098044 /nfs/dbraw/zinc/09/80/44/803098044.db2.gz DORNXQIFIGYBHC-INIZCTEOSA-N 1 3 296.418 3.075 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001206809957 813443170 /nfs/dbraw/zinc/44/31/70/813443170.db2.gz MPQBZTSJGHPSJN-WBVHZDCISA-N 1 3 290.451 3.341 20 0 CGADHO C[NH2+]Cc1cccc(-c2ccc3c(N)ccnc3c2)c1F ZINC001244861241 803552985 /nfs/dbraw/zinc/55/29/85/803552985.db2.gz UMAKKEMXXJBBJW-UHFFFAOYSA-N 1 3 281.334 3.343 20 0 CGADHO CN(C)Cc1cncc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001245356359 803710806 /nfs/dbraw/zinc/71/08/06/803710806.db2.gz MQBIZEXKEQMHST-SFHVURJKSA-N 1 3 281.403 3.235 20 0 CGADHO CCC[NH+]1C[C@@H]2CN(Cc3c(C)cccc3C)C[C@H]2C1 ZINC001137852799 803785010 /nfs/dbraw/zinc/78/50/10/803785010.db2.gz VGGRYBHPZYZXAU-IAGOWNOFSA-N 1 3 272.436 3.077 20 0 CGADHO [NH3+]Cc1cnccc1-c1ccc(F)c(CN2CCCCC2)c1 ZINC001245559599 803813193 /nfs/dbraw/zinc/81/31/93/803813193.db2.gz FVEDVGZPUIWHRH-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO CCc1cccc2c(CN3CCC4(C[NH+](C)C4)CC3)c[nH]c21 ZINC001138361601 803905078 /nfs/dbraw/zinc/90/50/78/803905078.db2.gz APRSIVZYLXNFGL-UHFFFAOYSA-N 1 3 297.446 3.258 20 0 CGADHO Cc1ccccc1C[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246071175 804108589 /nfs/dbraw/zinc/10/85/89/804108589.db2.gz INHDTZAQKLCCIE-VQTJNVASSA-N 1 3 294.442 3.448 20 0 CGADHO Cc1ccc(C)c(CCN[C@@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246072212 804111031 /nfs/dbraw/zinc/11/10/31/804111031.db2.gz HCSDBCVKMQBFPV-QZTJIDSGSA-N 1 3 274.452 3.212 20 0 CGADHO Cc1ccccc1CCN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246074633 804113947 /nfs/dbraw/zinc/11/39/47/804113947.db2.gz FDXPXUFKFVRUAG-IAGOWNOFSA-N 1 3 274.452 3.294 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246075459 804113973 /nfs/dbraw/zinc/11/39/73/804113973.db2.gz UCZULXHOLMSPSK-IRXDYDNUSA-N 1 3 278.415 3.269 20 0 CGADHO Cc1ccccc1CCN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246074640 804114878 /nfs/dbraw/zinc/11/48/78/804114878.db2.gz FDXPXUFKFVRUAG-SJORKVTESA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246081290 804117696 /nfs/dbraw/zinc/11/76/96/804117696.db2.gz MSDBOVWVOCNVBD-KBPBESRZSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246087513 804120881 /nfs/dbraw/zinc/12/08/81/804120881.db2.gz OUEFLQFIWTUVGB-BRWVUGGUSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001246092088 804123931 /nfs/dbraw/zinc/12/39/31/804123931.db2.gz MQNDAYWVJHSERB-UTUOFQBUSA-N 1 3 284.806 3.270 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC001246099041 804131578 /nfs/dbraw/zinc/13/15/78/804131578.db2.gz LCOAAIPYBWDYRO-PMPSAXMXSA-N 1 3 292.492 3.311 20 0 CGADHO C[C@H]1NCC[C@H]1[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246100497 804133297 /nfs/dbraw/zinc/13/32/97/804133297.db2.gz FGDCXYMTMLYGJH-AGERRDQYSA-N 1 3 272.436 3.128 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246100928 804133464 /nfs/dbraw/zinc/13/34/64/804133464.db2.gz UPLNYYGCCZOHDQ-AGIUHOORSA-N 1 3 298.833 3.388 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246100789 804133768 /nfs/dbraw/zinc/13/37/68/804133768.db2.gz VBJRXYHLNDRDKK-FVQHAEBGSA-N 1 3 290.451 3.137 20 0 CGADHO CCC(C)(C)C1CCC([NH2+]C[C@]2(O)CCCCNC2)CC1 ZINC001246115485 804146505 /nfs/dbraw/zinc/14/65/05/804146505.db2.gz ZERHFZMDWGAXTE-HTWSVDAQSA-N 1 3 296.499 3.076 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CCC[NH2+]C[C@H]2C)cc1 ZINC001246117531 804150218 /nfs/dbraw/zinc/15/02/18/804150218.db2.gz JUGWAWKJWLFWKY-HLLBOEOZSA-N 1 3 292.492 3.453 20 0 CGADHO Cc1ccc(F)c(CN[C@H]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001246161845 804179426 /nfs/dbraw/zinc/17/94/26/804179426.db2.gz CFLUXAGBDCGILQ-ZDUSSCGKSA-N 1 3 294.389 3.285 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(C)s2)C[C@H](CC)[NH2+]1 ZINC001246168226 804182659 /nfs/dbraw/zinc/18/26/59/804182659.db2.gz IKBVSPGIKFNTED-QDMKHBRRSA-N 1 3 280.481 3.498 20 0 CGADHO C([NH2+][C@H]1CCNC2(CCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246170666 804186543 /nfs/dbraw/zinc/18/65/43/804186543.db2.gz ISHQOJSMAIWNIJ-LESVLKBLSA-N 1 3 288.479 3.467 20 0 CGADHO CCC[C@H](Cc1ccccc1)N[C@@]1(C)CCC[NH2+]C1 ZINC001246192040 804200584 /nfs/dbraw/zinc/20/05/84/804200584.db2.gz YBCXDQJCIUFJIS-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246218932 804212885 /nfs/dbraw/zinc/21/28/85/804212885.db2.gz AHBQSHLMZJZAJL-KSZLIROESA-N 1 3 292.442 3.181 20 0 CGADHO c1ccc(-c2ccc(OCC[NH2+][C@H]3CCCNC3)cc2)cc1 ZINC001246252407 804238317 /nfs/dbraw/zinc/23/83/17/804238317.db2.gz RKIDIHIJHWIWPN-SFHVURJKSA-N 1 3 296.414 3.074 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)C[C@H](C)N1 ZINC001246259069 804242102 /nfs/dbraw/zinc/24/21/02/804242102.db2.gz YXSKZBNAQUEGDS-FHULIHMCSA-N 1 3 264.457 3.464 20 0 CGADHO C[C@@H]1CC([NH2+]CCCc2cccc(Cl)c2)C[C@@H](C)N1 ZINC001246261787 804243684 /nfs/dbraw/zinc/24/36/84/804243684.db2.gz WNXAJRWFYIZHAS-CHWSQXEVSA-N 1 3 280.843 3.391 20 0 CGADHO CCCC[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246270315 804248491 /nfs/dbraw/zinc/24/84/91/804248491.db2.gz LVXWEZCHVYNMFU-XWTMOSNGSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001246283083 804259308 /nfs/dbraw/zinc/25/93/08/804259308.db2.gz ZCHHYCOJIRBSAW-BIGNPOOSSA-N 1 3 287.234 3.394 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)CN1 ZINC001246287804 804260354 /nfs/dbraw/zinc/26/03/54/804260354.db2.gz LGXLTCPTAXPXOJ-DQYPLSBCSA-N 1 3 276.399 3.397 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCCC2(C)C)CCN1 ZINC001246292224 804262937 /nfs/dbraw/zinc/26/29/37/804262937.db2.gz WQHIJXLOLLBSNA-ILXRZTDVSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246304554 804269310 /nfs/dbraw/zinc/26/93/10/804269310.db2.gz DXZDBUIZFQNJJV-GXFFZTMASA-N 1 3 272.795 3.127 20 0 CGADHO CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246307483 804269718 /nfs/dbraw/zinc/26/97/18/804269718.db2.gz CGTIWZGZSJLYSO-HOTGVXAUSA-N 1 3 292.854 3.318 20 0 CGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(C)c(C)c1 ZINC001246308875 804271646 /nfs/dbraw/zinc/27/16/46/804271646.db2.gz STYDJVVDGMRRRG-DLBZAZTESA-N 1 3 260.425 3.486 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H]1CCc2c(Cl)cccc2C1 ZINC001246313654 804275237 /nfs/dbraw/zinc/27/52/37/804275237.db2.gz VIZSFTOAJORKJB-KGLIPLIRSA-N 1 3 280.843 3.160 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246326538 804281906 /nfs/dbraw/zinc/28/19/06/804281906.db2.gz PWPGTQUQYLDVNR-DZUCGIPZSA-N 1 3 258.409 3.053 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@@H]2CC23CCCC3)C[C@H](CC)[NH2+]1 ZINC001246333628 804287304 /nfs/dbraw/zinc/28/73/04/804287304.db2.gz KVVWRCVAVWFFQD-LXTVHRRPSA-N 1 3 250.430 3.218 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246331859 804287897 /nfs/dbraw/zinc/28/78/97/804287897.db2.gz KBMBYKOARJXUQT-XQLPTFJDSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246333995 804288955 /nfs/dbraw/zinc/28/89/55/804288955.db2.gz TYGUKZDETDTMBY-FZMZJTMJSA-N 1 3 286.872 3.394 20 0 CGADHO [NH3+]CC1(N[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001246356021 804301629 /nfs/dbraw/zinc/30/16/29/804301629.db2.gz LXEGGIRELFFCRC-GFCCVEGCSA-N 1 3 299.245 3.322 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)CC2)CCN1 ZINC001246358308 804303038 /nfs/dbraw/zinc/30/30/38/804303038.db2.gz CVXULYMIJVHFNZ-QXSJWSMHSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(SC[C@@H](C)NC(C)(C)CC[NH3+])cc1 ZINC001246364047 804306870 /nfs/dbraw/zinc/30/68/70/804306870.db2.gz SEERQGPNVFEYRV-CYBMUJFWSA-N 1 3 266.454 3.193 20 0 CGADHO Cc1ccc(SC[C@@H](C)[NH2+]C(C)(C)CCN)cc1 ZINC001246364047 804306881 /nfs/dbraw/zinc/30/68/81/804306881.db2.gz SEERQGPNVFEYRV-CYBMUJFWSA-N 1 3 266.454 3.193 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCCCNC1)c1ccc(C)cc1C ZINC001246375747 804309555 /nfs/dbraw/zinc/30/95/55/804309555.db2.gz KLEOQVNOXTWJGH-DOTOQJQBSA-N 1 3 260.425 3.486 20 0 CGADHO CCCC[C@@H](CC)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246379667 804313014 /nfs/dbraw/zinc/31/30/14/804313014.db2.gz ADSKAGPXRITJIS-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO CCCC1([NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CCC1 ZINC001246382525 804314436 /nfs/dbraw/zinc/31/44/36/804314436.db2.gz DWILOTASUKUJNR-ZIAGYGMSSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3F)CCNCC2)C1 ZINC001246381330 804314824 /nfs/dbraw/zinc/31/48/24/804314824.db2.gz PEEVHULQAMWUNX-HOCLYGCPSA-N 1 3 290.426 3.269 20 0 CGADHO CC1(C)C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246387493 804317515 /nfs/dbraw/zinc/31/75/15/804317515.db2.gz GCZAJIVKDNLFFU-MRXNPFEDSA-N 1 3 290.426 3.411 20 0 CGADHO CC1(C)C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246395531 804319095 /nfs/dbraw/zinc/31/90/95/804319095.db2.gz WXEOUHUVVSBNBT-MRXNPFEDSA-N 1 3 290.426 3.269 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](C)Cc2ccc(CC)cc2)CCN1 ZINC001246454652 804335095 /nfs/dbraw/zinc/33/50/95/804335095.db2.gz FVHDKPRZMBYNDY-QAPCUYQASA-N 1 3 274.452 3.302 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246448418 804336178 /nfs/dbraw/zinc/33/61/78/804336178.db2.gz UJKWLFMTJVPLOD-GDBMZVCRSA-N 1 3 264.457 3.467 20 0 CGADHO CCCC1CCC(NC[C@]2(CCC)CC[NH2+]2)CC1 ZINC001246454595 804336996 /nfs/dbraw/zinc/33/69/96/804336996.db2.gz COMXPSOQQHGBHU-GPANFISMSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2(Cc3cccc(F)c3)CCNCC2)C1 ZINC001246460074 804341808 /nfs/dbraw/zinc/34/18/08/804341808.db2.gz MJJOODDVFVSAPN-YOEHRIQHSA-N 1 3 290.426 3.269 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)CCN1 ZINC001246466138 804345860 /nfs/dbraw/zinc/34/58/60/804345860.db2.gz MOUGQKUBUWCTNL-CVEARBPZSA-N 1 3 272.436 3.227 20 0 CGADHO CCC(CC)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246467807 804345950 /nfs/dbraw/zinc/34/59/50/804345950.db2.gz UQKPCKGARGROEY-UHFFFAOYSA-N 1 3 260.425 3.130 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+][C@@H]1CCNCC12CC2 ZINC001246473325 804350468 /nfs/dbraw/zinc/35/04/68/804350468.db2.gz KPYTZMQRILBLFT-HUUCEWRRSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](CC)C1)C1CCCCC1 ZINC001246491094 804358860 /nfs/dbraw/zinc/35/88/60/804358860.db2.gz SJSDTUOMBXNIEQ-XHSDSOJGSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246493821 804359359 /nfs/dbraw/zinc/35/93/59/804359359.db2.gz GEDNTOKMLKKGAT-NXHRZFHOSA-N 1 3 274.452 3.231 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+][C@H](C3CCC3)C3CNC3)C2)cc1 ZINC001246513353 804366870 /nfs/dbraw/zinc/36/68/70/804366870.db2.gz DFFSXMWGSZYRPV-BHIYHBOVSA-N 1 3 284.447 3.300 20 0 CGADHO CC[C@H]([NH2+][C@H](Cc1ccccc1)CC(C)C)C1CNC1 ZINC001246513365 804367497 /nfs/dbraw/zinc/36/74/97/804367497.db2.gz DLMRGNLIHYGQCZ-ROUUACIJSA-N 1 3 274.452 3.231 20 0 CGADHO CCCCCC[C@H](CC)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246515242 804368819 /nfs/dbraw/zinc/36/88/19/804368819.db2.gz KVAIXZNHBWWKJE-JKSUJKDBSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246514280 804368834 /nfs/dbraw/zinc/36/88/34/804368834.db2.gz GDVSOYLZSGCKTI-DZKIICNBSA-N 1 3 254.462 3.281 20 0 CGADHO CC[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CNC1 ZINC001246517501 804370959 /nfs/dbraw/zinc/37/09/59/804370959.db2.gz LQFRTEJRLIERMH-INIZCTEOSA-N 1 3 264.457 3.467 20 0 CGADHO CC[C@H]1C[C@@H](N(Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520658 804375058 /nfs/dbraw/zinc/37/50/58/804375058.db2.gz USSUAZGNVCHSKX-IRXDYDNUSA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520658 804375066 /nfs/dbraw/zinc/37/50/66/804375066.db2.gz USSUAZGNVCHSKX-IRXDYDNUSA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520658 804375075 /nfs/dbraw/zinc/37/50/75/804375075.db2.gz USSUAZGNVCHSKX-IRXDYDNUSA-N 1 3 260.425 3.428 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246521131 804375399 /nfs/dbraw/zinc/37/53/99/804375399.db2.gz ZFWSCUMVPXLCMQ-JKSUJKDBSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[NH+](CC(C)C)[C@@H]1CCNC2(CCC2)C1 ZINC001246522238 804376590 /nfs/dbraw/zinc/37/65/90/804376590.db2.gz VBWORJVZVMWCAP-OAHLLOKOSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+](CCC)CC2CC2)CCN1 ZINC001246522603 804376906 /nfs/dbraw/zinc/37/69/06/804376906.db2.gz DWXRPNPNLLNHGD-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+](CCC)CC2CC2)CCN1 ZINC001246522603 804376911 /nfs/dbraw/zinc/37/69/11/804376911.db2.gz DWXRPNPNLLNHGD-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO [NH3+][C@@H]1CN(C2CCC(Cc3ccccc3)CC2)CC12CC2 ZINC001246530735 804380581 /nfs/dbraw/zinc/38/05/81/804380581.db2.gz AVOYGZSQHDLMOR-DAWZGUTISA-N 1 3 284.447 3.211 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532733 804383912 /nfs/dbraw/zinc/38/39/12/804383912.db2.gz JSMISIJCDJZQHY-IAGOWNOFSA-N 1 3 272.436 3.067 20 0 CGADHO N[C@H]1CCC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539292 804388061 /nfs/dbraw/zinc/38/80/61/804388061.db2.gz HDWUTEXINJPXNW-IKGGRYGDSA-N 1 3 258.409 3.136 20 0 CGADHO N[C@H]1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539292 804388068 /nfs/dbraw/zinc/38/80/68/804388068.db2.gz HDWUTEXINJPXNW-IKGGRYGDSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1C1CCC2(CCc3ccccc32)CC1 ZINC001246540635 804391421 /nfs/dbraw/zinc/39/14/21/804391421.db2.gz FDJSJPZBCGPFSY-FIHXEBHWSA-N 1 3 284.447 3.235 20 0 CGADHO CCc1ccc(C[C@H](C)N2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001246549482 804397913 /nfs/dbraw/zinc/39/79/13/804397913.db2.gz JAZOYEOAYDPQEL-YJBOKZPZSA-N 1 3 274.452 3.111 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548047 804399272 /nfs/dbraw/zinc/39/92/72/804399272.db2.gz FGFSLIJIHZTBIF-JKSUJKDBSA-N 1 3 278.827 3.011 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246560055 804408778 /nfs/dbraw/zinc/40/87/78/804408778.db2.gz RNMIHUUNYUOJFI-RBSFLKMASA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246560055 804408781 /nfs/dbraw/zinc/40/87/81/804408781.db2.gz RNMIHUUNYUOJFI-RBSFLKMASA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@H](N2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246560055 804408784 /nfs/dbraw/zinc/40/87/84/804408784.db2.gz RNMIHUUNYUOJFI-RBSFLKMASA-N 1 3 256.409 3.121 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246569362 804417163 /nfs/dbraw/zinc/41/71/63/804417163.db2.gz CFLHLJIRAOEZKC-JONQDZQNSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571498 804418832 /nfs/dbraw/zinc/41/88/32/804418832.db2.gz UTBBTJWHGTXBIK-SNPRPXQTSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571498 804418834 /nfs/dbraw/zinc/41/88/34/804418834.db2.gz UTBBTJWHGTXBIK-SNPRPXQTSA-N 1 3 292.854 3.257 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)CC2)CCN1 ZINC001246587245 804430507 /nfs/dbraw/zinc/43/05/07/804430507.db2.gz QBSJSGXIKNDENJ-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)CC2)CCN1 ZINC001246587245 804430511 /nfs/dbraw/zinc/43/05/11/804430511.db2.gz QBSJSGXIKNDENJ-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589747 804431123 /nfs/dbraw/zinc/43/11/23/804431123.db2.gz FMKFCMJPKPWYPB-CRAIPNDOSA-N 1 3 290.426 3.134 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589747 804431128 /nfs/dbraw/zinc/43/11/28/804431128.db2.gz FMKFCMJPKPWYPB-CRAIPNDOSA-N 1 3 290.426 3.134 20 0 CGADHO C[C@]1(C[NH3+])CCCCN([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589747 804431133 /nfs/dbraw/zinc/43/11/33/804431133.db2.gz FMKFCMJPKPWYPB-CRAIPNDOSA-N 1 3 290.426 3.134 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246588424 804431389 /nfs/dbraw/zinc/43/13/89/804431389.db2.gz ZFTWZPNZFASABZ-PBHICJAKSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246588424 804431394 /nfs/dbraw/zinc/43/13/94/804431394.db2.gz ZFTWZPNZFASABZ-PBHICJAKSA-N 1 3 278.415 3.208 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CC(C)(C[NH3+])C1 ZINC001246594471 804434874 /nfs/dbraw/zinc/43/48/74/804434874.db2.gz GQPWJUHVWHHYQU-INIZCTEOSA-N 1 3 260.425 3.069 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593343 804434999 /nfs/dbraw/zinc/43/49/99/804434999.db2.gz MECBADNIJMQYQF-IXDOHACOSA-N 1 3 284.488 3.433 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593343 804435005 /nfs/dbraw/zinc/43/50/05/804435005.db2.gz MECBADNIJMQYQF-IXDOHACOSA-N 1 3 284.488 3.433 20 0 CGADHO C[C@@H](CC(c1ccccc1)c1ccccc1)N1CC(C[NH3+])C1 ZINC001246597229 804436710 /nfs/dbraw/zinc/43/67/10/804436710.db2.gz SRIDZVQZHQWKRT-INIZCTEOSA-N 1 3 294.442 3.488 20 0 CGADHO CC[C@H](Cc1ccccc1)N1CCC[C@]12CCC[NH2+]C2 ZINC001246612803 804447067 /nfs/dbraw/zinc/44/70/67/804447067.db2.gz XETRKIAZVWMOBQ-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246612803 804447072 /nfs/dbraw/zinc/44/70/72/804447072.db2.gz XETRKIAZVWMOBQ-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246612803 804447078 /nfs/dbraw/zinc/44/70/78/804447078.db2.gz XETRKIAZVWMOBQ-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO C[C@H]1CC([N@@H+]2CCCC3(CCCC3)C2)C[C@H](C)N1 ZINC001246615136 804448881 /nfs/dbraw/zinc/44/88/81/804448881.db2.gz QGOVDPLDWHRROG-KBPBESRZSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CC([N@H+]2CCCC3(CCCC3)C2)C[C@H](C)N1 ZINC001246615136 804448883 /nfs/dbraw/zinc/44/88/83/804448883.db2.gz QGOVDPLDWHRROG-KBPBESRZSA-N 1 3 250.430 3.172 20 0 CGADHO c1ccc(C2CCC([N@@H+]3CC[C@H]4CNCC[C@H]43)CC2)cc1 ZINC001246616734 804452035 /nfs/dbraw/zinc/45/20/35/804452035.db2.gz BEAFNSMRINAWAS-VLOYRQLPSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc(C2CCC([N@H+]3CC[C@H]4CNCC[C@H]43)CC2)cc1 ZINC001246616734 804452038 /nfs/dbraw/zinc/45/20/38/804452038.db2.gz BEAFNSMRINAWAS-VLOYRQLPSA-N 1 3 284.447 3.397 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246623349 804455466 /nfs/dbraw/zinc/45/54/66/804455466.db2.gz PVMMUYGHQYDIKK-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246623349 804455472 /nfs/dbraw/zinc/45/54/72/804455472.db2.gz PVMMUYGHQYDIKK-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246621802 804455826 /nfs/dbraw/zinc/45/58/26/804455826.db2.gz QAISVIRDMSQMET-IRXDYDNUSA-N 1 3 282.472 3.190 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246621802 804455829 /nfs/dbraw/zinc/45/58/29/804455829.db2.gz QAISVIRDMSQMET-IRXDYDNUSA-N 1 3 282.472 3.190 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC001246628786 804458156 /nfs/dbraw/zinc/45/81/56/804458156.db2.gz ZRTBHOOEWFWVLB-LSDHHAIUSA-N 1 3 250.430 3.316 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+]2CCC23CCCC3)CCN1 ZINC001246628786 804458163 /nfs/dbraw/zinc/45/81/63/804458163.db2.gz ZRTBHOOEWFWVLB-LSDHHAIUSA-N 1 3 250.430 3.316 20 0 CGADHO c1ccc(C2CCC([N@@H+]3CCC4(CNC4)C3)CC2)cc1 ZINC001246630396 804461288 /nfs/dbraw/zinc/46/12/88/804461288.db2.gz JWOHPRVURKXMID-UHFFFAOYSA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc(C2CCC([N@H+]3CCC4(CNC4)C3)CC2)cc1 ZINC001246630396 804461292 /nfs/dbraw/zinc/46/12/92/804461292.db2.gz JWOHPRVURKXMID-UHFFFAOYSA-N 1 3 270.420 3.008 20 0 CGADHO CCCCC[C@H](CC)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246637240 804466194 /nfs/dbraw/zinc/46/61/94/804466194.db2.gz MRDIPYFZQKGYFC-IRXDYDNUSA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246637240 804466201 /nfs/dbraw/zinc/46/62/01/804466201.db2.gz MRDIPYFZQKGYFC-IRXDYDNUSA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246637240 804466204 /nfs/dbraw/zinc/46/62/04/804466204.db2.gz MRDIPYFZQKGYFC-IRXDYDNUSA-N 1 3 282.472 3.047 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC23CCNCC3)cc1 ZINC001246643195 804470624 /nfs/dbraw/zinc/47/06/24/804470624.db2.gz RKLHDWFLRLSTCK-INIZCTEOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC23CCNCC3)cc1 ZINC001246643195 804470628 /nfs/dbraw/zinc/47/06/28/804470628.db2.gz RKLHDWFLRLSTCK-INIZCTEOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CCC23CC[NH2+]CC3)cc1 ZINC001246643195 804470632 /nfs/dbraw/zinc/47/06/32/804470632.db2.gz RKLHDWFLRLSTCK-INIZCTEOSA-N 1 3 272.436 3.144 20 0 CGADHO CC1(C)CCC[C@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246645278 804472082 /nfs/dbraw/zinc/47/20/82/804472082.db2.gz UTIUPJPHHFAMTQ-GOEBONIOSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246658893 804483852 /nfs/dbraw/zinc/48/38/52/804483852.db2.gz QAHLJOBLIOOXSQ-RCCFBDPRSA-N 1 3 272.436 3.211 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246680778 804494191 /nfs/dbraw/zinc/49/41/91/804494191.db2.gz LFNOGNJVSJIVHA-BFYDXBDKSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246680778 804494197 /nfs/dbraw/zinc/49/41/97/804494197.db2.gz LFNOGNJVSJIVHA-BFYDXBDKSA-N 1 3 258.409 3.272 20 0 CGADHO CCCCC1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246682160 804495306 /nfs/dbraw/zinc/49/53/06/804495306.db2.gz TVNXFNPDWIQAPK-MUJYYYPQSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246699173 804499321 /nfs/dbraw/zinc/49/93/21/804499321.db2.gz ZJXYWSPROOMCSX-KURKYZTESA-N 1 3 290.426 3.031 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246699173 804499323 /nfs/dbraw/zinc/49/93/23/804499323.db2.gz ZJXYWSPROOMCSX-KURKYZTESA-N 1 3 290.426 3.031 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246774481 804503847 /nfs/dbraw/zinc/50/38/47/804503847.db2.gz GERVQQHWHAZRJZ-IPMKNSEASA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246774481 804503850 /nfs/dbraw/zinc/50/38/50/804503850.db2.gz GERVQQHWHAZRJZ-IPMKNSEASA-N 1 3 286.463 3.472 20 0 CGADHO C[NH2+]CC1CCN([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001246783435 804510521 /nfs/dbraw/zinc/51/05/21/804510521.db2.gz XBZZGFWUUXLTPS-LBPRGKRZSA-N 1 3 298.833 3.342 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@H]2C)C[C@H](CC)N1 ZINC001246790338 804514183 /nfs/dbraw/zinc/51/41/83/804514183.db2.gz NOSVVZHEPQNIGX-DGXTUMSLSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2C)C[C@H](CC)N1 ZINC001246790338 804514186 /nfs/dbraw/zinc/51/41/86/804514186.db2.gz NOSVVZHEPQNIGX-DGXTUMSLSA-N 1 3 252.446 3.416 20 0 CGADHO c1ccc(C[C@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791498 804515533 /nfs/dbraw/zinc/51/55/33/804515533.db2.gz JWWQRMSYILSYDN-YRXWBPOGSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791498 804515535 /nfs/dbraw/zinc/51/55/35/804515535.db2.gz JWWQRMSYILSYDN-YRXWBPOGSA-N 1 3 284.447 3.224 20 0 CGADHO COc1ccccc1[C@H]1CCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246794117 804518178 /nfs/dbraw/zinc/51/81/78/804518178.db2.gz ZAVKTAWEFYJFNM-GDBMZVCRSA-N 1 3 288.435 3.363 20 0 CGADHO C[N@H+](CCc1cccc(Cl)c1)[C@@H]1CCNC2(CCC2)C1 ZINC001246826983 804539524 /nfs/dbraw/zinc/53/95/24/804539524.db2.gz ZUHNSKDMJWJWJG-MRXNPFEDSA-N 1 3 292.854 3.489 20 0 CGADHO C[N@@H+](CCc1cccc(Cl)c1)[C@@H]1CCNC2(CCC2)C1 ZINC001246826983 804539531 /nfs/dbraw/zinc/53/95/31/804539531.db2.gz ZUHNSKDMJWJWJG-MRXNPFEDSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1CCN ZINC001246846618 804556053 /nfs/dbraw/zinc/55/60/53/804556053.db2.gz PMATYOKQJLOKDC-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1CCN ZINC001246846618 804556055 /nfs/dbraw/zinc/55/60/55/804556055.db2.gz PMATYOKQJLOKDC-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861313 804565389 /nfs/dbraw/zinc/56/53/89/804565389.db2.gz AVQCRVNMAGUEID-IXEWLPCDSA-N 1 3 270.420 3.279 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246869894 804572292 /nfs/dbraw/zinc/57/22/92/804572292.db2.gz XHBUVVHJWNJUBC-KMFMINBZSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246869894 804572293 /nfs/dbraw/zinc/57/22/93/804572293.db2.gz XHBUVVHJWNJUBC-KMFMINBZSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246869894 804572295 /nfs/dbraw/zinc/57/22/95/804572295.db2.gz XHBUVVHJWNJUBC-KMFMINBZSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(n3ccc4ccccc43)CC2)CCN1 ZINC001246870697 804573612 /nfs/dbraw/zinc/57/36/12/804573612.db2.gz XKQVIEVZYRSHRR-YJBOKZPZSA-N 1 3 297.446 3.419 20 0 CGADHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246887208 804581457 /nfs/dbraw/zinc/58/14/57/804581457.db2.gz KEHYYVMXNPYYIC-QLFBSQMISA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246887208 804581463 /nfs/dbraw/zinc/58/14/63/804581463.db2.gz KEHYYVMXNPYYIC-QLFBSQMISA-N 1 3 252.446 3.274 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141104100 804589714 /nfs/dbraw/zinc/58/97/14/804589714.db2.gz ZKOUYEOMLOAQEY-SJORKVTESA-N 1 3 286.463 3.368 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3cccc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001141104100 804589718 /nfs/dbraw/zinc/58/97/18/804589718.db2.gz ZKOUYEOMLOAQEY-SJORKVTESA-N 1 3 286.463 3.368 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH+]1CCCNCCC1 ZINC001246907740 804591107 /nfs/dbraw/zinc/59/11/07/804591107.db2.gz UZACELURPQAVNV-SFHVURJKSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](c1ccccc1Cl)N(C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246912628 804596760 /nfs/dbraw/zinc/59/67/60/804596760.db2.gz ZNEKKKRLSDKQJN-VXGBXAGGSA-N 1 3 296.867 3.180 20 0 CGADHO CCCC1CCC([N@H+](CCOC)[C@@H]2CCCNC2)CC1 ZINC001246927159 804604017 /nfs/dbraw/zinc/60/40/17/804604017.db2.gz GPANDDKITYNVQZ-OFLPRAFFSA-N 1 3 282.472 3.046 20 0 CGADHO CCCC1CCC([N@@H+](CCOC)[C@@H]2CCCNC2)CC1 ZINC001246927159 804604020 /nfs/dbraw/zinc/60/40/20/804604020.db2.gz GPANDDKITYNVQZ-OFLPRAFFSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246934236 804607536 /nfs/dbraw/zinc/60/75/36/804607536.db2.gz AOTDKNBJKRKBKC-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246934236 804607538 /nfs/dbraw/zinc/60/75/38/804607538.db2.gz AOTDKNBJKRKBKC-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](CC1CC1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937354 804608871 /nfs/dbraw/zinc/60/88/71/804608871.db2.gz LJOLNIHVSPUSIT-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](CC1CC1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246937354 804608873 /nfs/dbraw/zinc/60/88/73/804608873.db2.gz LJOLNIHVSPUSIT-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](Cc1ccco1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938534 804610016 /nfs/dbraw/zinc/61/00/16/804610016.db2.gz QCWKPRLRURCSPC-HOTGVXAUSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@@H](Cc1ccco1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938534 804610019 /nfs/dbraw/zinc/61/00/19/804610019.db2.gz QCWKPRLRURCSPC-HOTGVXAUSA-N 1 3 290.451 3.455 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001246941423 804610326 /nfs/dbraw/zinc/61/03/26/804610326.db2.gz JVSAOFXCLZVMFG-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@H]3NCCC[C@@H]3C1)CC2 ZINC001247016384 804644654 /nfs/dbraw/zinc/64/46/54/804644654.db2.gz UPCFOHQFQYXCQD-IEBWSBKVSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CC[C@H]3NCCC[C@@H]3C1)CC2 ZINC001247016384 804644656 /nfs/dbraw/zinc/64/46/56/804644656.db2.gz UPCFOHQFQYXCQD-IEBWSBKVSA-N 1 3 284.447 3.008 20 0 CGADHO Fc1ccc2c(c1)CN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256861426 806994205 /nfs/dbraw/zinc/99/42/05/806994205.db2.gz NVTZWTCHEZDMPE-UHFFFAOYSA-N 1 3 297.377 3.205 20 0 CGADHO CC(C)N1CCC([N@@H+]2CCSc3ccccc3C2)CC1 ZINC001257224149 807064257 /nfs/dbraw/zinc/06/42/57/807064257.db2.gz PVVMNLNPQDSPKG-UHFFFAOYSA-N 1 3 290.476 3.467 20 0 CGADHO CC(C)N1CCC([N@H+]2CCSc3ccccc3C2)CC1 ZINC001257224149 807064264 /nfs/dbraw/zinc/06/42/64/807064264.db2.gz PVVMNLNPQDSPKG-UHFFFAOYSA-N 1 3 290.476 3.467 20 0 CGADHO CCCC[C@H](CC)[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001257427280 807150814 /nfs/dbraw/zinc/15/08/14/807150814.db2.gz ZHAXJMHEWBOBKM-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257505494 807184576 /nfs/dbraw/zinc/18/45/76/807184576.db2.gz FHDAYVJDHDBGHJ-BRWVUGGUSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001258001367 807262677 /nfs/dbraw/zinc/26/26/77/807262677.db2.gz NMMBHBOPYVFURC-CYBMUJFWSA-N 1 3 274.399 3.132 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258055980 807280549 /nfs/dbraw/zinc/28/05/49/807280549.db2.gz NUBLHSPYFWDNDY-ROUUACIJSA-N 1 3 297.531 3.063 20 0 CGADHO CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC1 ZINC001167975551 807291389 /nfs/dbraw/zinc/29/13/89/807291389.db2.gz RYTSRKAWVGJBMD-MQVJKMGUSA-N 1 3 262.441 3.314 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001168091923 807309245 /nfs/dbraw/zinc/30/92/45/807309245.db2.gz CPIPIRBZERXSHI-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1C[C@@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142425 807321886 /nfs/dbraw/zinc/32/18/86/807321886.db2.gz CRAPJCDNYRVAGM-YJBOKZPZSA-N 1 3 294.483 3.283 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142425 807321893 /nfs/dbraw/zinc/32/18/93/807321893.db2.gz CRAPJCDNYRVAGM-YJBOKZPZSA-N 1 3 294.483 3.283 20 0 CGADHO C[C@H](Cc1ccco1)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001258178729 807343509 /nfs/dbraw/zinc/34/35/09/807343509.db2.gz LEBFTKYCUMGHBV-CYBMUJFWSA-N 1 3 278.440 3.452 20 0 CGADHO C[C@H](Cc1ccco1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258178729 807343517 /nfs/dbraw/zinc/34/35/17/807343517.db2.gz LEBFTKYCUMGHBV-CYBMUJFWSA-N 1 3 278.440 3.452 20 0 CGADHO CSCC[C@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001258199951 807358866 /nfs/dbraw/zinc/35/88/66/807358866.db2.gz LSGYQRUJEYQOOH-GOEBONIOSA-N 1 3 280.481 3.411 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N1CCC(C)([NH3+])CC1 ZINC001258651908 807523682 /nfs/dbraw/zinc/52/36/82/807523682.db2.gz JMDJVARNKYUWCF-INIZCTEOSA-N 1 3 260.425 3.211 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001169089350 807572298 /nfs/dbraw/zinc/57/22/98/807572298.db2.gz BZWHVILWJGOOSG-BJWYYQGGSA-N 1 3 272.436 3.327 20 0 CGADHO COc1ccc(C(C)(C)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169099928 807576892 /nfs/dbraw/zinc/57/68/92/807576892.db2.gz WXAFVWJHUXUNMO-MUJYYYPQSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc(C(C)(C)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099928 807576896 /nfs/dbraw/zinc/57/68/96/807576896.db2.gz WXAFVWJHUXUNMO-MUJYYYPQSA-N 1 3 288.435 3.145 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169108671 807579345 /nfs/dbraw/zinc/57/93/45/807579345.db2.gz UXSVYCHMRZAAFU-MPTYRVRUSA-N 1 3 286.419 3.033 20 0 CGADHO CCN(Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123819 807584879 /nfs/dbraw/zinc/58/48/79/807584879.db2.gz NANUHHQWXVLNEE-FVQHAEBGSA-N 1 3 258.409 3.134 20 0 CGADHO CCN(Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123819 807584880 /nfs/dbraw/zinc/58/48/80/807584880.db2.gz NANUHHQWXVLNEE-FVQHAEBGSA-N 1 3 258.409 3.134 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155483 807596177 /nfs/dbraw/zinc/59/61/77/807596177.db2.gz PMRGMVJLYYPIIR-FVQHAEBGSA-N 1 3 284.447 3.405 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1Cc3ccccc3C(C)(C)C1)C2 ZINC001169155483 807596182 /nfs/dbraw/zinc/59/61/82/807596182.db2.gz PMRGMVJLYYPIIR-FVQHAEBGSA-N 1 3 284.447 3.405 20 0 CGADHO CCCC[C@H](CCC)[NH+]1CCC(N)(CCOC)CC1 ZINC001258758947 807597371 /nfs/dbraw/zinc/59/73/71/807597371.db2.gz KFJQGMIMUJGYDD-HNNXBMFYSA-N 1 3 270.461 3.175 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC001258765890 807600972 /nfs/dbraw/zinc/60/09/72/807600972.db2.gz GLXRZHHHCOGTEG-WMLDXEAASA-N 1 3 294.389 3.285 20 0 CGADHO CCC[NH+]1CCC(NCCc2c(F)cccc2Cl)CC1 ZINC001258764717 807601208 /nfs/dbraw/zinc/60/12/08/807601208.db2.gz ZEXPDEOWQXFGOC-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO Cc1cc2cc(NCC[C@H]3CCC[NH2+]3)ccc2cn1 ZINC001169569726 807668121 /nfs/dbraw/zinc/66/81/21/807668121.db2.gz UFQFLIYMOJRBIS-OAHLLOKOSA-N 1 3 255.365 3.097 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CCCC(C)C)C[C@H]2C1 ZINC001170090497 807754962 /nfs/dbraw/zinc/75/49/62/807754962.db2.gz LVDJSYYDHXJEBG-GVDBMIGSSA-N 1 3 266.473 3.475 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001170111772 807760703 /nfs/dbraw/zinc/76/07/03/807760703.db2.gz DRZNPIQIPADXSZ-PBHICJAKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CCCN1C ZINC001170255676 807805792 /nfs/dbraw/zinc/80/57/92/807805792.db2.gz VHEFGDRKEQZZPH-UKRRQHHQSA-N 1 3 280.843 3.345 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715950 807882749 /nfs/dbraw/zinc/88/27/49/807882749.db2.gz NETQRBAMXYJCQD-QDMKHBRRSA-N 1 3 252.446 3.133 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCC2CCC(O)CC2)CC1(C)C ZINC001171625577 808106872 /nfs/dbraw/zinc/10/68/72/808106872.db2.gz LPUBCHCQQYOABN-UHFFFAOYSA-N 1 3 296.499 3.169 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCCc2ccncc2)CC1(C)C ZINC001171619301 808106889 /nfs/dbraw/zinc/10/68/89/808106889.db2.gz IWPWEBUUDOEHOF-UHFFFAOYSA-N 1 3 289.467 3.255 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](CF)C2)CC1(C)C ZINC001171639780 808111107 /nfs/dbraw/zinc/11/11/07/808111107.db2.gz SUXIUBMILZKYBG-ZDUSSCGKSA-N 1 3 270.436 3.319 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](CF)C2)CC1(C)C ZINC001171639780 808111109 /nfs/dbraw/zinc/11/11/09/808111109.db2.gz SUXIUBMILZKYBG-ZDUSSCGKSA-N 1 3 270.436 3.319 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106520 808175907 /nfs/dbraw/zinc/17/59/07/808175907.db2.gz PWYBHZFWSZDURN-NXOAAHMSSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106520 808175909 /nfs/dbraw/zinc/17/59/09/808175909.db2.gz PWYBHZFWSZDURN-NXOAAHMSSA-N 1 3 273.424 3.138 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3cnccc31)C2 ZINC001172110517 808177821 /nfs/dbraw/zinc/17/78/21/808177821.db2.gz OARBBTGSMLXFCI-CUSZFKRNSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3cnccc31)C2 ZINC001172110517 808177826 /nfs/dbraw/zinc/17/78/26/808177826.db2.gz OARBBTGSMLXFCI-CUSZFKRNSA-N 1 3 285.435 3.064 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001172116574 808180352 /nfs/dbraw/zinc/18/03/52/808180352.db2.gz BKYZEOFQLCXMIG-ALYAQQCSSA-N 1 3 262.441 3.124 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001172116574 808180353 /nfs/dbraw/zinc/18/03/53/808180353.db2.gz BKYZEOFQLCXMIG-ALYAQQCSSA-N 1 3 262.441 3.124 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C)Cc1ccsc1)C2 ZINC001172125940 808185688 /nfs/dbraw/zinc/18/56/88/808185688.db2.gz SCCSUHBZIOLTTP-FICVDOATSA-N 1 3 264.438 3.195 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)Cc1ccsc1)C2 ZINC001172125940 808185689 /nfs/dbraw/zinc/18/56/89/808185689.db2.gz SCCSUHBZIOLTTP-FICVDOATSA-N 1 3 264.438 3.195 20 0 CGADHO COc1ccc2c(c1)CN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172126451 808185771 /nfs/dbraw/zinc/18/57/71/808185771.db2.gz VZJPLEIZWRZOJD-FVQHAEBGSA-N 1 3 286.419 3.026 20 0 CGADHO COc1ccc2c(c1)CN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172126451 808185775 /nfs/dbraw/zinc/18/57/75/808185775.db2.gz VZJPLEIZWRZOJD-FVQHAEBGSA-N 1 3 286.419 3.026 20 0 CGADHO CC(C)OCC[C@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172435167 808311624 /nfs/dbraw/zinc/31/16/24/808311624.db2.gz YOJVMFSVCWTSDW-WMZOPIPTSA-N 1 3 292.467 3.473 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC001172827716 808449135 /nfs/dbraw/zinc/44/91/35/808449135.db2.gz DUHZPZAFXFVYGQ-GUDVDZBRSA-N 1 3 286.463 3.315 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCc4ccc(C)cc4C3)C[C@H]2C1 ZINC001172839826 808455402 /nfs/dbraw/zinc/45/54/02/808455402.db2.gz VHBFIQBDLFKVRY-VAMGGRTRSA-N 1 3 298.474 3.126 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001172851974 808462182 /nfs/dbraw/zinc/46/21/82/808462182.db2.gz MQNDAYWVJHSERB-WOPDTQHZSA-N 1 3 284.806 3.270 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172860761 808465860 /nfs/dbraw/zinc/46/58/60/808465860.db2.gz FVOQBBWCAMUVPS-LBPRGKRZSA-N 1 3 286.822 3.471 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172860761 808465864 /nfs/dbraw/zinc/46/58/64/808465864.db2.gz FVOQBBWCAMUVPS-LBPRGKRZSA-N 1 3 286.822 3.471 20 0 CGADHO CCCN(CCC[NH3+])[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172860761 808465865 /nfs/dbraw/zinc/46/58/65/808465865.db2.gz FVOQBBWCAMUVPS-LBPRGKRZSA-N 1 3 286.822 3.471 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccc(CC)cc1 ZINC001173236612 808546188 /nfs/dbraw/zinc/54/61/88/808546188.db2.gz AYWPJXYRIRZZPK-OAHLLOKOSA-N 1 3 262.441 3.241 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccc(CC)cc1 ZINC001173236612 808546191 /nfs/dbraw/zinc/54/61/91/808546191.db2.gz AYWPJXYRIRZZPK-OAHLLOKOSA-N 1 3 262.441 3.241 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173258870 808564684 /nfs/dbraw/zinc/56/46/84/808564684.db2.gz FIDWNMSNCSBIGD-IKGGRYGDSA-N 1 3 266.473 3.475 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173258870 808564689 /nfs/dbraw/zinc/56/46/89/808564689.db2.gz FIDWNMSNCSBIGD-IKGGRYGDSA-N 1 3 266.473 3.475 20 0 CGADHO CC[N@@H+]1CC[C@@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001173373476 808633110 /nfs/dbraw/zinc/63/31/10/808633110.db2.gz XOVSUUZLWMJAGV-GDBMZVCRSA-N 1 3 298.434 3.118 20 0 CGADHO CC[N@H+]1CC[C@@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001173373476 808633111 /nfs/dbraw/zinc/63/31/11/808633111.db2.gz XOVSUUZLWMJAGV-GDBMZVCRSA-N 1 3 298.434 3.118 20 0 CGADHO CN(C)Cc1ccccc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001173930320 808769777 /nfs/dbraw/zinc/76/97/77/808769777.db2.gz UBFCWTBJIXOQRE-UHFFFAOYSA-N 1 3 296.418 3.487 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCCN(CCc3ccccc3)C2)C1 ZINC001275089164 808906474 /nfs/dbraw/zinc/90/64/74/808906474.db2.gz SKXVJPOLTCUFJY-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO C[N@H+]1CCC[C@]2(CCCN(CCc3ccccc3)C2)C1 ZINC001275089164 808906478 /nfs/dbraw/zinc/90/64/78/808906478.db2.gz SKXVJPOLTCUFJY-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO Cc1ccc(F)cc1CN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275307593 808927652 /nfs/dbraw/zinc/92/76/52/808927652.db2.gz FGSXLLXHASANGP-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(F)cc1CN1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275307593 808927658 /nfs/dbraw/zinc/92/76/58/808927658.db2.gz FGSXLLXHASANGP-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO CCc1cc(NC2=CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505346 809433044 /nfs/dbraw/zinc/43/30/44/809433044.db2.gz MFVPYTKCHKROER-UHFFFAOYSA-N 1 3 293.414 3.268 20 0 CGADHO CCC[NH+]1CCC(C[NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC001177737562 809818358 /nfs/dbraw/zinc/81/83/58/809818358.db2.gz RGNNDHZGQUSAPR-UHFFFAOYSA-N 1 3 296.842 3.257 20 0 CGADHO CS[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001178620621 809879762 /nfs/dbraw/zinc/87/97/62/809879762.db2.gz RGNNHOLOQACRIV-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO CCN(CCC[NH+](C)C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC001181506328 810056886 /nfs/dbraw/zinc/05/68/86/810056886.db2.gz QESRBXRDKMZJJA-CYBMUJFWSA-N 1 3 284.394 3.342 20 0 CGADHO CC(C)(CCN1CCC([NH2+]C2CCOCC2)CC1)C1CC1 ZINC001197739968 811450123 /nfs/dbraw/zinc/45/01/23/811450123.db2.gz ZLPADPYVCPVPAR-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO CN(C1CC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001201401656 811831605 /nfs/dbraw/zinc/83/16/05/811831605.db2.gz OYQSTTNUORFGCC-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO C[N@H+](C1CC1)C1CCN(CC2CCCCC2)CC1 ZINC001201401656 811831615 /nfs/dbraw/zinc/83/16/15/811831615.db2.gz OYQSTTNUORFGCC-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO C[N@@H+](C1CC1)C1CCN(CC2CCCCC2)CC1 ZINC001201401656 811831625 /nfs/dbraw/zinc/83/16/25/811831625.db2.gz OYQSTTNUORFGCC-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CCC[C@@H](C)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC001201552524 811899958 /nfs/dbraw/zinc/89/99/58/811899958.db2.gz DZWQDWQENNBJOZ-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1 ZINC001201962764 811986247 /nfs/dbraw/zinc/98/62/47/811986247.db2.gz IJLQRWOGMADAGB-BRWVUGGUSA-N 1 3 282.472 3.188 20 0 CGADHO Oc1cc(Cl)cc(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735519 812719968 /nfs/dbraw/zinc/71/99/68/812719968.db2.gz WOJYJLKTBQNSJA-UHFFFAOYSA-N 1 3 294.826 3.011 20 0 CGADHO CCn1ccc2ccc(CN3CCC[C@](C)([NH3+])CC3)cc21 ZINC001205273127 812924343 /nfs/dbraw/zinc/92/43/43/812924343.db2.gz FNVLHRCSPNQEEI-SFHVURJKSA-N 1 3 285.435 3.365 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2cc3ccccc3o2)CC1 ZINC001205273419 812924458 /nfs/dbraw/zinc/92/44/58/812924458.db2.gz KNROMSUCAMBJGE-MRXNPFEDSA-N 1 3 258.365 3.136 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001205295656 812936099 /nfs/dbraw/zinc/93/60/99/812936099.db2.gz AXLCSYMTTSANMY-MRXNPFEDSA-N 1 3 275.371 3.010 20 0 CGADHO CCOc1ccc(C)c(CN2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205296575 812937799 /nfs/dbraw/zinc/93/77/99/812937799.db2.gz RINGVXOKHGWSLW-QGZVFWFLSA-N 1 3 276.424 3.097 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001205296253 812938220 /nfs/dbraw/zinc/93/82/20/812938220.db2.gz JZJZXKAAAXAXPX-XHSDSOJGSA-N 1 3 252.446 3.286 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001205296253 812938224 /nfs/dbraw/zinc/93/82/24/812938224.db2.gz JZJZXKAAAXAXPX-XHSDSOJGSA-N 1 3 252.446 3.286 20 0 CGADHO Cc1ccc(F)c(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205618795 813029072 /nfs/dbraw/zinc/02/90/72/813029072.db2.gz YWKUDGQXARMDKF-DGCLKSJQSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1CCN(Cc2cccc(F)c2Cl)CC[C@H]1C[NH3+] ZINC001205626302 813031601 /nfs/dbraw/zinc/03/16/01/813031601.db2.gz FNWSESLJMPCTPG-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863207 813112773 /nfs/dbraw/zinc/11/27/73/813112773.db2.gz JIBJLVKADOHOOB-OYNZBZHQSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863207 813112775 /nfs/dbraw/zinc/11/27/75/813112775.db2.gz JIBJLVKADOHOOB-OYNZBZHQSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@H]1CN(Cc2cc(F)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205995765 813156661 /nfs/dbraw/zinc/15/66/61/813156661.db2.gz QAZLQLWHOZSKMD-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)nc1C ZINC001206036362 813175580 /nfs/dbraw/zinc/17/55/80/813175580.db2.gz IWXRUHQGOCQJLI-GXTWGEPZSA-N 1 3 295.858 3.159 20 0 CGADHO N[C@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@@H]1F ZINC001206167325 813222621 /nfs/dbraw/zinc/22/26/21/813222621.db2.gz YHBVHANFCSCFOX-STQMWFEESA-N 1 3 295.789 3.083 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@@H]1F ZINC001206167325 813222627 /nfs/dbraw/zinc/22/26/27/813222627.db2.gz YHBVHANFCSCFOX-STQMWFEESA-N 1 3 295.789 3.083 20 0 CGADHO CCSc1ccccc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206212957 813242869 /nfs/dbraw/zinc/24/28/69/813242869.db2.gz TZUGEFSGJXRBIE-UONOGXRCSA-N 1 3 282.428 3.060 20 0 CGADHO CCSc1ccccc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206212957 813242874 /nfs/dbraw/zinc/24/28/74/813242874.db2.gz TZUGEFSGJXRBIE-UONOGXRCSA-N 1 3 282.428 3.060 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2c(F)cccc2Cl)CC1 ZINC001206296831 813277188 /nfs/dbraw/zinc/27/71/88/813277188.db2.gz VCHDBLDJGZTIAY-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO Cc1ccc(CN2CCC[C@@](C)(C[NH3+])CC2)c(F)c1F ZINC001206304453 813280596 /nfs/dbraw/zinc/28/05/96/813280596.db2.gz KWOWGEDXFNEVSU-MRXNPFEDSA-N 1 3 282.378 3.224 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(C(F)(F)F)o2)CC1 ZINC001206318087 813287183 /nfs/dbraw/zinc/28/71/83/813287183.db2.gz MJGIMOVTCJXSLM-CYBMUJFWSA-N 1 3 290.329 3.249 20 0 CGADHO C[C@]1(CN)CCCC[N@H+](CCCc2ccccc2F)C1 ZINC001206541826 813344292 /nfs/dbraw/zinc/34/42/92/813344292.db2.gz LFBZSTOEEMBSQF-QGZVFWFLSA-N 1 3 278.415 3.209 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+](CCCc2ccccc2F)C1 ZINC001206541826 813344299 /nfs/dbraw/zinc/34/42/99/813344299.db2.gz LFBZSTOEEMBSQF-QGZVFWFLSA-N 1 3 278.415 3.209 20 0 CGADHO Cc1ccc2cc(CN3CCCC[C@@](C)(C[NH3+])C3)ccc2n1 ZINC001206556723 813351600 /nfs/dbraw/zinc/35/16/00/813351600.db2.gz WBPSLTNLNBKTQP-IBGZPJMESA-N 1 3 297.446 3.494 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2cccc3ncsc32)C1 ZINC001206563686 813355166 /nfs/dbraw/zinc/35/51/66/813355166.db2.gz HBQCYTDFTAFTPA-INIZCTEOSA-N 1 3 289.448 3.247 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767451 813430707 /nfs/dbraw/zinc/43/07/07/813430707.db2.gz BPJMZVXHKMBOJJ-HOCLYGCPSA-N 1 3 290.451 3.423 20 0 CGADHO Cc1ncsc1CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001206988864 813462332 /nfs/dbraw/zinc/46/23/32/813462332.db2.gz GJMKJZBBLDPSRV-UHFFFAOYSA-N 1 3 293.480 3.005 20 0 CGADHO Cc1ncc(CN2CCC(C3CC[NH+](C)CC3)CC2)s1 ZINC001207061462 813475902 /nfs/dbraw/zinc/47/59/02/813475902.db2.gz XCPNILSPKKBJER-UHFFFAOYSA-N 1 3 293.480 3.005 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001207286462 813536952 /nfs/dbraw/zinc/53/69/52/813536952.db2.gz SCWXCPZMHQFBPG-KRWDZBQOSA-N 1 3 290.451 3.118 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001207286462 813536956 /nfs/dbraw/zinc/53/69/56/813536956.db2.gz SCWXCPZMHQFBPG-KRWDZBQOSA-N 1 3 290.451 3.118 20 0 CGADHO C[NH+]1CCC(CN2CCC[C@H]2c2cc(F)ccc2F)CC1 ZINC001207398219 813556774 /nfs/dbraw/zinc/55/67/74/813556774.db2.gz AIGGXNUQLAVYLW-KRWDZBQOSA-N 1 3 294.389 3.444 20 0 CGADHO CN(C)C1CC[NH+](CCCc2cccc(Cl)c2)CC1 ZINC001207584603 813600910 /nfs/dbraw/zinc/60/09/10/813600910.db2.gz KUPSUYFFQVVOAR-UHFFFAOYSA-N 1 3 280.843 3.299 20 0 CGADHO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001207838144 813658856 /nfs/dbraw/zinc/65/88/56/813658856.db2.gz WIQITCZOEIIEMI-YYWYGQEZSA-N 1 3 276.468 3.441 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(CCCC2CCCC2)CC1 ZINC001208094259 813693512 /nfs/dbraw/zinc/69/35/12/813693512.db2.gz HJGBINSIRWZOBS-UHFFFAOYSA-N 1 3 287.451 3.482 20 0 CGADHO CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001208172273 813725793 /nfs/dbraw/zinc/72/57/93/813725793.db2.gz AISRTGPRHFCKCE-CVEARBPZSA-N 1 3 262.441 3.006 20 0 CGADHO CC1=C[C@H](C)[C@H](C[NH+]2CC3(C2)CCN(CC2CC2)C3)CC1 ZINC001208172651 813727348 /nfs/dbraw/zinc/72/73/48/813727348.db2.gz ZLHFAJJCJHLNOE-WMZOPIPTSA-N 1 3 288.479 3.397 20 0 CGADHO CN(C)CC1(C[N@H+](C)CCc2ccccc2F)CCCC1 ZINC001208188283 813736789 /nfs/dbraw/zinc/73/67/89/813736789.db2.gz VVULIXIHZXFVMO-UHFFFAOYSA-N 1 3 292.442 3.422 20 0 CGADHO CN(C)CC1(C[N@@H+](C)CCc2ccccc2F)CCCC1 ZINC001208188283 813736794 /nfs/dbraw/zinc/73/67/94/813736794.db2.gz VVULIXIHZXFVMO-UHFFFAOYSA-N 1 3 292.442 3.422 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608350 813773968 /nfs/dbraw/zinc/77/39/68/813773968.db2.gz HKOFYLSUDVOWGQ-LSDHHAIUSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608350 813773971 /nfs/dbraw/zinc/77/39/71/813773971.db2.gz HKOFYLSUDVOWGQ-LSDHHAIUSA-N 1 3 292.854 3.471 20 0 CGADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617019 813777112 /nfs/dbraw/zinc/77/71/12/813777112.db2.gz NZRDEHPEHBKRCI-CXAGYDPISA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617019 813777121 /nfs/dbraw/zinc/77/71/21/813777121.db2.gz NZRDEHPEHBKRCI-CXAGYDPISA-N 1 3 294.389 3.444 20 0 CGADHO C[C@@H]1C[C@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209421211 814022563 /nfs/dbraw/zinc/02/25/63/814022563.db2.gz JGTDNDLIHNZNSP-AEFFLSMTSA-N 1 3 284.447 3.240 20 0 CGADHO COc1cccc(CC[N@H+](C)CCCN2CCCCC2)c1 ZINC001209451126 814048489 /nfs/dbraw/zinc/04/84/89/814048489.db2.gz UECRSDQCFYPSSP-UHFFFAOYSA-N 1 3 290.451 3.046 20 0 CGADHO COc1cccc(CC[N@@H+](C)CCCN2CCCCC2)c1 ZINC001209451126 814048493 /nfs/dbraw/zinc/04/84/93/814048493.db2.gz UECRSDQCFYPSSP-UHFFFAOYSA-N 1 3 290.451 3.046 20 0 CGADHO Cc1cc(C[C@H](C)NC2=CC[C@@H]([NH+]3CCCC3)CC2)on1 ZINC001210705824 814589700 /nfs/dbraw/zinc/58/97/00/814589700.db2.gz WYSRCSOZQYREMK-XJKSGUPXSA-N 1 3 289.423 3.036 20 0 CGADHO Cc1ccc(CN2CCC3(CC([NH3+])C3)CC2)cc1Cl ZINC001222215515 816376953 /nfs/dbraw/zinc/37/69/53/816376953.db2.gz GVRIAPBJQNNOCX-UHFFFAOYSA-N 1 3 278.827 3.352 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001222231840 816379702 /nfs/dbraw/zinc/37/97/02/816379702.db2.gz PVUXEJCWEJSQOE-BBWFWOEESA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001222231840 816379710 /nfs/dbraw/zinc/37/97/10/816379710.db2.gz PVUXEJCWEJSQOE-BBWFWOEESA-N 1 3 262.441 3.197 20 0 CGADHO Cc1cc(F)cc(CN2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222315406 816406373 /nfs/dbraw/zinc/40/63/73/816406373.db2.gz NFGUOLFYOCZLNH-KRWDZBQOSA-N 1 3 276.399 3.242 20 0 CGADHO C(CC1CCCCC1)C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615965 816478849 /nfs/dbraw/zinc/47/88/49/816478849.db2.gz UNWQVYAXXOOWKK-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO C(CC1CCCCC1)C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615965 816478850 /nfs/dbraw/zinc/47/88/50/816478850.db2.gz UNWQVYAXXOOWKK-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614155 816479391 /nfs/dbraw/zinc/47/93/91/816479391.db2.gz AWOUYWHQOFVOES-IXDOHACOSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614155 816479397 /nfs/dbraw/zinc/47/93/97/816479397.db2.gz AWOUYWHQOFVOES-IXDOHACOSA-N 1 3 264.457 3.443 20 0 CGADHO C[C@H](CCN1CCC12CC[NH2+]CC2)CC(C)(C)C ZINC001235103041 819002886 /nfs/dbraw/zinc/00/28/86/819002886.db2.gz QGVAZVOYPCXBTB-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CC[N@@H+]1CCC12CCNCC2)CC(C)(C)C ZINC001235103041 819002889 /nfs/dbraw/zinc/00/28/89/819002889.db2.gz QGVAZVOYPCXBTB-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CC[N@H+]1CCC12CCNCC2)CC(C)(C)C ZINC001235103041 819002893 /nfs/dbraw/zinc/00/28/93/819002893.db2.gz QGVAZVOYPCXBTB-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCCC23CCNCC3)CC1 ZINC001235140797 819014553 /nfs/dbraw/zinc/01/45/53/819014553.db2.gz NWKMUBQJWATQHV-HOTGVXAUSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCCC23CCNCC3)CC1 ZINC001235140797 819014559 /nfs/dbraw/zinc/01/45/59/819014559.db2.gz NWKMUBQJWATQHV-HOTGVXAUSA-N 1 3 262.441 3.197 20 0 CGADHO c1cc(CN2CCCCC23CC[NH2+]CC3)cc2c1CCC2 ZINC001235191718 819031952 /nfs/dbraw/zinc/03/19/52/819031952.db2.gz WYXWXGHXCDKAGN-UHFFFAOYSA-N 1 3 284.447 3.283 20 0 CGADHO c1cc(C[N@@H+]2CCCCC23CCNCC3)cc2c1CCC2 ZINC001235191718 819031961 /nfs/dbraw/zinc/03/19/61/819031961.db2.gz WYXWXGHXCDKAGN-UHFFFAOYSA-N 1 3 284.447 3.283 20 0 CGADHO c1cc(C[N@H+]2CCCCC23CCNCC3)cc2c1CCC2 ZINC001235191718 819031966 /nfs/dbraw/zinc/03/19/66/819031966.db2.gz WYXWXGHXCDKAGN-UHFFFAOYSA-N 1 3 284.447 3.283 20 0 CGADHO CCCC[C@H](CC)CN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225918 819040280 /nfs/dbraw/zinc/04/02/80/819040280.db2.gz WGWKZSVLGRQEHK-IHRRRGAJSA-N 1 3 292.389 3.287 20 0 CGADHO c1ccc(C(C[N@@H+]2C[C@H]3CNCC[C@H]32)c2ccccc2)cc1 ZINC001235254468 819051337 /nfs/dbraw/zinc/05/13/37/819051337.db2.gz BSFHRGKEDYGQOM-UYAOXDASSA-N 1 3 292.426 3.112 20 0 CGADHO c1ccc(C(C[N@H+]2C[C@H]3CNCC[C@H]32)c2ccccc2)cc1 ZINC001235254468 819051343 /nfs/dbraw/zinc/05/13/43/819051343.db2.gz BSFHRGKEDYGQOM-UYAOXDASSA-N 1 3 292.426 3.112 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3CNCC[C@@H]32)cc1 ZINC001235260983 819054678 /nfs/dbraw/zinc/05/46/78/819054678.db2.gz OQSZIKGRLXMBOI-LZQZEXGQSA-N 1 3 286.463 3.282 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@H]3CNCC[C@@H]32)cc1 ZINC001235260983 819054683 /nfs/dbraw/zinc/05/46/83/819054683.db2.gz OQSZIKGRLXMBOI-LZQZEXGQSA-N 1 3 286.463 3.282 20 0 CGADHO Cc1ccc(CN2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1Cl ZINC001235339448 819071216 /nfs/dbraw/zinc/07/12/16/819071216.db2.gz GGMSPOZMIJPSAG-LLVKDONJSA-N 1 3 299.245 3.343 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@H+](CCCCc1ccccc1)C2 ZINC001235399396 819084152 /nfs/dbraw/zinc/08/41/52/819084152.db2.gz AYINTRYTRGQBOH-QZTJIDSGSA-N 1 3 290.426 3.033 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399396 819084158 /nfs/dbraw/zinc/08/41/58/819084158.db2.gz AYINTRYTRGQBOH-QZTJIDSGSA-N 1 3 290.426 3.033 20 0 CGADHO CN(CCC[NH3+])Cc1ccccc1-c1ccc(F)cc1 ZINC001235435705 819099386 /nfs/dbraw/zinc/09/93/86/819099386.db2.gz VCQIWXSFNQZVDV-UHFFFAOYSA-N 1 3 272.367 3.273 20 0 CGADHO CCCCc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC001235676270 819136728 /nfs/dbraw/zinc/13/67/28/819136728.db2.gz QZXJDZKZSUXNQU-QGZVFWFLSA-N 1 3 260.425 3.200 20 0 CGADHO C[NH2+]CC1CCN(Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001235678521 819138889 /nfs/dbraw/zinc/13/88/89/819138889.db2.gz MHSPOYAWNIEHTA-UHFFFAOYSA-N 1 3 291.826 3.253 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001235678014 819138906 /nfs/dbraw/zinc/13/89/06/819138906.db2.gz BYBFTQZFRYGYCF-UHFFFAOYSA-N 1 3 291.826 3.253 20 0 CGADHO CC(C)(CCN1CCCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001235710791 819146929 /nfs/dbraw/zinc/14/69/29/819146929.db2.gz FEGFYYBIOKPHFI-UHFFFAOYSA-N 1 3 272.436 3.040 20 0 CGADHO CC(C)(CC[N@@H+]1CCCC2(CNC2)C1)c1ccccc1 ZINC001235710791 819146933 /nfs/dbraw/zinc/14/69/33/819146933.db2.gz FEGFYYBIOKPHFI-UHFFFAOYSA-N 1 3 272.436 3.040 20 0 CGADHO CC(C)(CC[N@H+]1CCCC2(CNC2)C1)c1ccccc1 ZINC001235710791 819146934 /nfs/dbraw/zinc/14/69/34/819146934.db2.gz FEGFYYBIOKPHFI-UHFFFAOYSA-N 1 3 272.436 3.040 20 0 CGADHO CCN(Cc1c(C)cc(OC)c(C)c1C)C1CC[NH2+]CC1 ZINC001235762283 819163482 /nfs/dbraw/zinc/16/34/82/819163482.db2.gz RHJVUILLXSESHN-UHFFFAOYSA-N 1 3 290.451 3.194 20 0 CGADHO CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C1CCNCC1 ZINC001235762283 819163486 /nfs/dbraw/zinc/16/34/86/819163486.db2.gz RHJVUILLXSESHN-UHFFFAOYSA-N 1 3 290.451 3.194 20 0 CGADHO CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C1CCNCC1 ZINC001235762283 819163489 /nfs/dbraw/zinc/16/34/89/819163489.db2.gz RHJVUILLXSESHN-UHFFFAOYSA-N 1 3 290.451 3.194 20 0 CGADHO CN(CCC12CC3CC(CC(C3)C1)C2)C[C@H]1CC[NH2+]C1 ZINC001235841980 819183236 /nfs/dbraw/zinc/18/32/36/819183236.db2.gz LCEPDILBZZWWLZ-NUVRTYOOSA-N 1 3 276.468 3.134 20 0 CGADHO COc1ccc(CN2CCC[C@H]2CC[NH3+])cc1C(C)C ZINC001235925247 819224465 /nfs/dbraw/zinc/22/44/65/819224465.db2.gz MPUSIQSBINATBR-HNNXBMFYSA-N 1 3 276.424 3.132 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@H]2CCN)C1(C)C ZINC001235925260 819224559 /nfs/dbraw/zinc/22/45/59/819224559.db2.gz NUMWYZCEGBOSBQ-CABCVRRESA-N 1 3 250.430 3.182 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@H]2CCN)C1(C)C ZINC001235925260 819224564 /nfs/dbraw/zinc/22/45/64/819224564.db2.gz NUMWYZCEGBOSBQ-CABCVRRESA-N 1 3 250.430 3.182 20 0 CGADHO CC(C)[N@H+](CCN)CCc1c(Cl)cccc1Cl ZINC001235948853 819237968 /nfs/dbraw/zinc/23/79/68/819237968.db2.gz UCUVDXPERQKGIJ-UHFFFAOYSA-N 1 3 275.223 3.205 20 0 CGADHO CC(C)[N@@H+](CCN)CCc1c(Cl)cccc1Cl ZINC001235948853 819237973 /nfs/dbraw/zinc/23/79/73/819237973.db2.gz UCUVDXPERQKGIJ-UHFFFAOYSA-N 1 3 275.223 3.205 20 0 CGADHO CN(Cc1ccc2cccccc1-2)C[C@@H]1CCC[NH2+]C1 ZINC001235956326 819244343 /nfs/dbraw/zinc/24/43/43/819244343.db2.gz CGHGIDBECZLRSC-OAHLLOKOSA-N 1 3 268.404 3.223 20 0 CGADHO c1ccc([C@@]23C[NH2+]C[C@@H]2CN(CCC2CCCC2)C3)cc1 ZINC001236013171 819275507 /nfs/dbraw/zinc/27/55/07/819275507.db2.gz ZSHBNVDAARJLBC-MOPGFXCFSA-N 1 3 284.447 3.040 20 0 CGADHO Cc1c(C[N@H+]2C[C@@H](C)[C@@H](N)C2)cccc1-c1ccccc1 ZINC001236093200 819312513 /nfs/dbraw/zinc/31/25/13/819312513.db2.gz HDSGQCJNRRLDCM-KUHUBIRLSA-N 1 3 280.415 3.441 20 0 CGADHO Cc1c(C[N@@H+]2C[C@@H](C)[C@@H](N)C2)cccc1-c1ccccc1 ZINC001236093200 819312519 /nfs/dbraw/zinc/31/25/19/819312519.db2.gz HDSGQCJNRRLDCM-KUHUBIRLSA-N 1 3 280.415 3.441 20 0 CGADHO CC(C)=CCCC1=CC[C@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC001236169827 819353978 /nfs/dbraw/zinc/35/39/78/819353978.db2.gz PMCAMFKBFPFIQJ-DLBZAZTESA-N 1 3 262.441 3.492 20 0 CGADHO CCc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236213705 819377089 /nfs/dbraw/zinc/37/70/89/819377089.db2.gz BCYYJYBFTDIXQA-IRXDYDNUSA-N 1 3 285.435 3.432 20 0 CGADHO CCc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236213705 819377096 /nfs/dbraw/zinc/37/70/96/819377096.db2.gz BCYYJYBFTDIXQA-IRXDYDNUSA-N 1 3 285.435 3.432 20 0 CGADHO C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1N ZINC001236216394 819379723 /nfs/dbraw/zinc/37/97/23/819379723.db2.gz KAXBGBSOUBHBBE-IRXDYDNUSA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1N ZINC001236216394 819379726 /nfs/dbraw/zinc/37/97/26/819379726.db2.gz KAXBGBSOUBHBBE-IRXDYDNUSA-N 1 3 258.409 3.266 20 0 CGADHO C(C1CCCC1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236369637 819439111 /nfs/dbraw/zinc/43/91/11/819439111.db2.gz BBFUYZZZQVEXNE-MRXNPFEDSA-N 1 3 264.457 3.421 20 0 CGADHO C(C1CCCC1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236369637 819439115 /nfs/dbraw/zinc/43/91/15/819439115.db2.gz BBFUYZZZQVEXNE-MRXNPFEDSA-N 1 3 264.457 3.421 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372677 819441595 /nfs/dbraw/zinc/44/15/95/819441595.db2.gz SHUAMVFGVRUYEW-WNRNVDISSA-N 1 3 288.479 3.443 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372677 819441599 /nfs/dbraw/zinc/44/15/99/819441599.db2.gz SHUAMVFGVRUYEW-WNRNVDISSA-N 1 3 288.479 3.443 20 0 CGADHO C[C@@H]1C[C@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401580 819450791 /nfs/dbraw/zinc/45/07/91/819450791.db2.gz PGKFJCJFDZUGHV-HIFRSBDPSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@@H]1C[C@H]1C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401580 819450794 /nfs/dbraw/zinc/45/07/94/819450794.db2.gz PGKFJCJFDZUGHV-HIFRSBDPSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@@H]1C[C@H]1C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401580 819450795 /nfs/dbraw/zinc/45/07/95/819450795.db2.gz PGKFJCJFDZUGHV-HIFRSBDPSA-N 1 3 276.399 3.036 20 0 CGADHO CN(Cc1ccc(-c2cccc(C[NH+](C)C)c2)nc1)C1CC1 ZINC001236419050 819465965 /nfs/dbraw/zinc/46/59/65/819465965.db2.gz ZWMWMJCGQASZMD-UHFFFAOYSA-N 1 3 295.430 3.404 20 0 CGADHO Cc1ccc(F)cc1CN(C[C@@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236510085 819507789 /nfs/dbraw/zinc/50/77/89/819507789.db2.gz YDQXVFSYFKMUTR-GJZGRUSLSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](C[C@@H]1C[C@@H]1C)C1CCNCC1 ZINC001236510085 819507793 /nfs/dbraw/zinc/50/77/93/819507793.db2.gz YDQXVFSYFKMUTR-GJZGRUSLSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](C[C@@H]1C[C@@H]1C)C1CCNCC1 ZINC001236510085 819507796 /nfs/dbraw/zinc/50/77/96/819507796.db2.gz YDQXVFSYFKMUTR-GJZGRUSLSA-N 1 3 290.426 3.344 20 0 CGADHO C[C@@]1(C[NH3+])CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC001236618156 819554161 /nfs/dbraw/zinc/55/41/61/819554161.db2.gz ZBZZGDXQLCKMPQ-KRWDZBQOSA-N 1 3 258.409 3.125 20 0 CGADHO CCCN(Cc1ccc2ccn(CC)c2c1)C[C@@H]1CC[NH2+]C1 ZINC001236834316 819613283 /nfs/dbraw/zinc/61/32/83/819613283.db2.gz HDSUOCNNOFAZPE-QGZVFWFLSA-N 1 3 299.462 3.483 20 0 CGADHO CCCN(Cc1ccc(OC)c(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236834826 819615077 /nfs/dbraw/zinc/61/50/77/819615077.db2.gz INNSHGCGNMQWRT-MRXNPFEDSA-N 1 3 290.451 3.134 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1cc(O)cc3ccccc31)CC2 ZINC001237076690 819660162 /nfs/dbraw/zinc/66/01/62/819660162.db2.gz PGQQONPYIBBLQM-UHFFFAOYSA-N 1 3 296.414 3.073 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3cccc4c(F)cccc34)C[C@H]2C1 ZINC001237527116 819772120 /nfs/dbraw/zinc/77/21/20/819772120.db2.gz VZUXVDOGGLWSCH-HZPDHXFCSA-N 1 3 298.405 3.362 20 0 CGADHO Cc1ccnc2cccc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c12 ZINC001237629531 819792478 /nfs/dbraw/zinc/79/24/78/819792478.db2.gz HTSXQVHPKAAYMT-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccnc2cccc(CN3CC[C@]4(CC[N@H+](C)C4)C3)c12 ZINC001237629531 819792482 /nfs/dbraw/zinc/79/24/82/819792482.db2.gz HTSXQVHPKAAYMT-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO C[C@H]([NH3+])c1cccc(-c2cccc(N3CCN(C)CC3)c2)c1 ZINC001243670930 823481085 /nfs/dbraw/zinc/48/10/85/823481085.db2.gz QNIZSXHHTNKLDC-HNNXBMFYSA-N 1 3 295.430 3.125 20 0 CGADHO CN1CC=C(c2ccccc2C[NH+]2CCCC2)CC1 ZINC001241320180 821730906 /nfs/dbraw/zinc/73/09/06/821730906.db2.gz VOSOELGHJCMTPX-UHFFFAOYSA-N 1 3 256.393 3.001 20 0 CGADHO CC[NH+](CC)Cc1ccc(-c2ccnc(CN)c2)cc1 ZINC001241584064 821969447 /nfs/dbraw/zinc/96/94/47/821969447.db2.gz XBDGRAPIYHEKJC-UHFFFAOYSA-N 1 3 269.392 3.049 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495980 936406209 /nfs/dbraw/zinc/40/62/09/936406209.db2.gz UCPBBOKYIKQARK-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[NH2+]C[C@@H](C)NCC1CCC(c2ccccc2)CC1 ZINC001347207762 936873960 /nfs/dbraw/zinc/87/39/60/936873960.db2.gz QVXYMUXAMUIPAC-HPUBIQBYSA-N 1 3 260.425 3.158 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721520042 928740421 /nfs/dbraw/zinc/74/04/21/928740421.db2.gz LVUUMVINWLPKBK-JONQDZQNSA-N 1 3 282.472 3.043 20 0 CGADHO Cc1cc(C[N@@H+](C)CCCN(C)C)cc(C)c1Cl ZINC001238088856 932693924 /nfs/dbraw/zinc/69/39/24/932693924.db2.gz LKAHVIPMRSOFAV-UHFFFAOYSA-N 1 3 268.832 3.340 20 0 CGADHO Cc1cc(C[N@H+](C)CCCN(C)C)cc(C)c1Cl ZINC001238088856 932693928 /nfs/dbraw/zinc/69/39/28/932693928.db2.gz LKAHVIPMRSOFAV-UHFFFAOYSA-N 1 3 268.832 3.340 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N(C)CCC[NH+](C)C ZINC000352873745 932730001 /nfs/dbraw/zinc/73/00/01/932730001.db2.gz GYJFPGFTUAKTLQ-CYBMUJFWSA-N 1 3 268.832 3.155 20 0 CGADHO C[C@H](COCC1CCCCC1)[NH2+]CC[C@H]1CCCN1C ZINC001308092083 933048739 /nfs/dbraw/zinc/04/87/39/933048739.db2.gz FFLNPCPRTFLMBU-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](COCC1CCCCC1)NCC[C@H]1CCC[N@@H+]1C ZINC001308092083 933048742 /nfs/dbraw/zinc/04/87/42/933048742.db2.gz FFLNPCPRTFLMBU-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](COCC1CCCCC1)NCC[C@H]1CCC[N@H+]1C ZINC001308092083 933048745 /nfs/dbraw/zinc/04/87/45/933048745.db2.gz FFLNPCPRTFLMBU-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CC1(C)CCC[N@@H+]1CCNCCc1cccc(Cl)c1 ZINC001308815939 933182956 /nfs/dbraw/zinc/18/29/56/933182956.db2.gz SKFWABORWCZYAL-UHFFFAOYSA-N 1 3 280.843 3.347 20 0 CGADHO CC1(C)CCC[N@H+]1CCNCCc1cccc(Cl)c1 ZINC001308815939 933182957 /nfs/dbraw/zinc/18/29/57/933182957.db2.gz SKFWABORWCZYAL-UHFFFAOYSA-N 1 3 280.843 3.347 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)N(C)C ZINC001308882611 933196177 /nfs/dbraw/zinc/19/61/77/933196177.db2.gz LTTXYIIQWAFTGW-NXHRZFHOSA-N 1 3 274.452 3.328 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[C@@H]2C1 ZINC001308985247 933223542 /nfs/dbraw/zinc/22/35/42/933223542.db2.gz YQKWLMBMUYYLNK-ZKZVPCBQSA-N 1 3 276.468 3.275 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC001319282515 933851955 /nfs/dbraw/zinc/85/19/55/933851955.db2.gz MSCOBGOPJKFKTN-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC001319282515 933851961 /nfs/dbraw/zinc/85/19/61/933851961.db2.gz MSCOBGOPJKFKTN-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3(C)CC3)CC2)C1 ZINC001319974543 933969698 /nfs/dbraw/zinc/96/96/98/933969698.db2.gz RVHKWEFBBMSKTK-HIFRSBDPSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC3(C)CC3)CC2)C1 ZINC001319974543 933969706 /nfs/dbraw/zinc/96/97/06/933969706.db2.gz RVHKWEFBBMSKTK-HIFRSBDPSA-N 1 3 250.430 3.172 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@@H]2C1 ZINC001474757061 934177168 /nfs/dbraw/zinc/17/71/68/934177168.db2.gz PCMZIEGVHKXSFZ-JQHSSLGASA-N 1 3 274.452 3.339 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001323960253 934442286 /nfs/dbraw/zinc/44/22/86/934442286.db2.gz OVRJFHUXHFXDBC-ZIAGYGMSSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001323960253 934442289 /nfs/dbraw/zinc/44/22/89/934442289.db2.gz OVRJFHUXHFXDBC-ZIAGYGMSSA-N 1 3 281.403 3.002 20 0 CGADHO CC[NH+](CC)C1CCN(CC23CCC(CC2)C3)CC1 ZINC001324416565 934499458 /nfs/dbraw/zinc/49/94/58/934499458.db2.gz GUQOLFMOVJUTNQ-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326276468 934964990 /nfs/dbraw/zinc/96/49/90/934964990.db2.gz AZBBUXHZIPGRNN-ZDUSSCGKSA-N 1 3 294.389 3.491 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001329364100 935208352 /nfs/dbraw/zinc/20/83/52/935208352.db2.gz PIMWRFJCULZCBM-YOEHRIQHSA-N 1 3 281.403 3.074 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329364100 935208356 /nfs/dbraw/zinc/20/83/56/935208356.db2.gz PIMWRFJCULZCBM-YOEHRIQHSA-N 1 3 281.403 3.074 20 0 CGADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C(F)F)c1 ZINC001333597652 935550740 /nfs/dbraw/zinc/55/07/40/935550740.db2.gz VJNDFLJVTHENCM-YIONKMFJSA-N 1 3 280.362 3.054 20 0 CGADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(C(F)F)c1 ZINC001333597652 935550743 /nfs/dbraw/zinc/55/07/43/935550743.db2.gz VJNDFLJVTHENCM-YIONKMFJSA-N 1 3 280.362 3.054 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1[C@H](c2ccccc2)C1(F)F ZINC001550944027 938172738 /nfs/dbraw/zinc/17/27/38/938172738.db2.gz VEIZCMLTRYHJGM-OJLVUWQFSA-N 1 3 294.389 3.013 20 0 CGADHO F[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001553024497 938195801 /nfs/dbraw/zinc/19/58/01/938195801.db2.gz GKXGLHZMMYZVBU-PQEBFOHHSA-N 1 3 282.447 3.273 20 0 CGADHO Cc1ccccc1C1([NH2+]CCCN2CCCCC2)CC1 ZINC001559937150 938239204 /nfs/dbraw/zinc/23/92/04/938239204.db2.gz VMDPIGKXXBLVME-UHFFFAOYSA-N 1 3 272.436 3.450 20 0 CGADHO C[C@H](C[NH2+]C[C@H](C)CN(C)C)CC1CCCCC1 ZINC001560488141 938260396 /nfs/dbraw/zinc/26/03/96/938260396.db2.gz SXIKDYNKPHBWMO-GJZGRUSLSA-N 1 3 254.462 3.380 20 0 CGADHO C[C@@H](CC1CCCCC1)C[NH+](CCN(C)C)CCN(C)C ZINC001560810480 938277310 /nfs/dbraw/zinc/27/73/10/938277310.db2.gz BBFGCVFCYXPCEW-KRWDZBQOSA-N 1 3 297.531 3.018 20 0 CGADHO [NH3+]CCC1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC001580288513 960487359 /nfs/dbraw/zinc/48/73/59/960487359.db2.gz NDZKYQPLVRLPKH-UPHRSURJSA-N 1 3 280.362 3.039 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001575421685 962373367 /nfs/dbraw/zinc/37/33/67/962373367.db2.gz BFSGHMRMYBLRJC-HUUCEWRRSA-N 1 3 280.843 3.360 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001575421685 962373384 /nfs/dbraw/zinc/37/33/84/962373384.db2.gz BFSGHMRMYBLRJC-HUUCEWRRSA-N 1 3 280.843 3.360 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC001575422216 962381921 /nfs/dbraw/zinc/38/19/21/962381921.db2.gz FWPMIJPVWSDCPT-SJORKVTESA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC001575422216 962381938 /nfs/dbraw/zinc/38/19/38/962381938.db2.gz FWPMIJPVWSDCPT-SJORKVTESA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@H](C[NH3+])CN1CCCCC[C@H]1c1ccncc1 ZINC001575422216 962381957 /nfs/dbraw/zinc/38/19/57/962381957.db2.gz FWPMIJPVWSDCPT-SJORKVTESA-N 1 3 275.440 3.230 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001575940978 962420229 /nfs/dbraw/zinc/42/02/29/962420229.db2.gz GBHGKTUMSDEDFI-GBJTYRQASA-N 1 3 294.464 3.088 20 0 CGADHO C[C@@H](C[NH2+]CC1(CN)CC1)c1ccc(C(F)(F)F)cc1 ZINC001576033935 962426842 /nfs/dbraw/zinc/42/68/42/962426842.db2.gz XUAQQJWAWMUKQM-NSHDSACASA-N 1 3 286.341 3.137 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(C2CC2)c(C2CC2)c1)[C@H](C)N ZINC001576104530 962441286 /nfs/dbraw/zinc/44/12/86/962441286.db2.gz ZZOLMBYMYLKNIG-NWDGAFQWSA-N 1 3 258.409 3.267 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCSc1cccc(Cl)c1 ZINC001576380220 962452811 /nfs/dbraw/zinc/45/28/11/962452811.db2.gz KLFWBRRNZWIIEV-CHWSQXEVSA-N 1 3 284.856 3.148 20 0 CGADHO CC1(C)CCCC[C@H]1C[N@@H+]1CCCC[C@@H]1CCN ZINC001576435229 962454667 /nfs/dbraw/zinc/45/46/67/962454667.db2.gz SQYCHPNWEIONHF-LSDHHAIUSA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCCC[C@H]1C[N@H+]1CCCC[C@@H]1CCN ZINC001576435229 962454674 /nfs/dbraw/zinc/45/46/74/962454674.db2.gz SQYCHPNWEIONHF-LSDHHAIUSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@H](CSc1ccccc1)NC[C@H]([NH3+])CC(F)F ZINC001577093851 962505755 /nfs/dbraw/zinc/50/57/55/962505755.db2.gz YZPPBUAILMOTOD-VXGBXAGGSA-N 1 3 288.407 3.129 20 0 CGADHO CCO[C@@H]1C[C@@H](N(C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087223 962565147 /nfs/dbraw/zinc/56/51/47/962565147.db2.gz GJRFGQKSJRPPHO-HUUCEWRRSA-N 1 3 282.472 3.031 20 0 CGADHO CO[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1CCN)C1CCCCC1 ZINC001578909324 962599430 /nfs/dbraw/zinc/59/94/30/962599430.db2.gz VDWMMNGMTNZCBY-BHYGNILZSA-N 1 3 282.472 3.031 20 0 CGADHO CO[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CCN)C1CCCCC1 ZINC001578909324 962599438 /nfs/dbraw/zinc/59/94/38/962599438.db2.gz VDWMMNGMTNZCBY-BHYGNILZSA-N 1 3 282.472 3.031 20 0 CGADHO COCC[C@@H](c1ccccc1)N(C)CC[C@H]([NH3+])C(C)C ZINC001579005797 962608045 /nfs/dbraw/zinc/60/80/45/962608045.db2.gz YVMZABAMAKBKIS-IRXDYDNUSA-N 1 3 278.440 3.069 20 0 CGADHO COCc1ccccc1/C=C(\C)C[N@H+](C)C1(CN)CCC1 ZINC001579093725 962610072 /nfs/dbraw/zinc/61/00/72/962610072.db2.gz JGJLEAWZHSHFJR-RVDMUPIBSA-N 1 3 288.435 3.050 20 0 CGADHO COCc1ccccc1/C=C(\C)C[N@@H+](C)C1(CN)CCC1 ZINC001579093725 962610081 /nfs/dbraw/zinc/61/00/81/962610081.db2.gz JGJLEAWZHSHFJR-RVDMUPIBSA-N 1 3 288.435 3.050 20 0 CGADHO FC(F)n1cc(CNC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001580023985 962687671 /nfs/dbraw/zinc/68/76/71/962687671.db2.gz MDUPFRJAJRDMJR-GFCCVEGCSA-N 1 3 293.361 3.126 20 0 CGADHO [NH3+]CCCNC/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001580298672 962712564 /nfs/dbraw/zinc/71/25/64/962712564.db2.gz WFDOGPMFEXTVAI-XBXARRHUSA-N 1 3 296.414 3.217 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2CN[C@H]2CCC[NH2+]C2)cc1 ZINC001580893000 962742240 /nfs/dbraw/zinc/74/22/40/962742240.db2.gz OXVODDQLZFCULN-SQNIBIBYSA-N 1 3 272.436 3.302 20 0 CGADHO c1ccc([C@H]2CCN2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC001580892743 962745697 /nfs/dbraw/zinc/74/56/97/962745697.db2.gz FLAYSYRIFKJUJV-LJQANCHMSA-N 1 3 278.399 3.279 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@]2(C)CC)C1 ZINC000651685975 398269269 /nfs/dbraw/zinc/26/92/69/398269269.db2.gz LFTHRPVHXGENLU-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO C[NH+](C)CCCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651692088 398270260 /nfs/dbraw/zinc/27/02/60/398270260.db2.gz SJPZCLHOBOGVHK-ZDUSSCGKSA-N 1 3 284.806 3.398 20 0 CGADHO CN1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708993 398272914 /nfs/dbraw/zinc/27/29/14/398272914.db2.gz IALANPOBEXBWMF-BXUZGUMPSA-N 1 3 296.817 3.398 20 0 CGADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000590786440 346875793 /nfs/dbraw/zinc/87/57/93/346875793.db2.gz XJTQAXYGNVMCMC-HNNXBMFYSA-N 1 3 275.440 3.195 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000590786440 346875795 /nfs/dbraw/zinc/87/57/95/346875795.db2.gz XJTQAXYGNVMCMC-HNNXBMFYSA-N 1 3 275.440 3.195 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142528 192056520 /nfs/dbraw/zinc/05/65/20/192056520.db2.gz FHEAETDQJVKMCW-HOTGVXAUSA-N 1 3 290.451 3.304 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142528 192056521 /nfs/dbraw/zinc/05/65/21/192056521.db2.gz FHEAETDQJVKMCW-HOTGVXAUSA-N 1 3 290.451 3.304 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142528 192056523 /nfs/dbraw/zinc/05/65/23/192056523.db2.gz FHEAETDQJVKMCW-HOTGVXAUSA-N 1 3 290.451 3.304 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@H]1C[C@H]1C ZINC000414059456 529626566 /nfs/dbraw/zinc/62/65/66/529626566.db2.gz IPZSJNZRJQRWTR-COXVUDFISA-N 1 3 260.425 3.272 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@H]1C[C@@H]1C ZINC000414087278 529613498 /nfs/dbraw/zinc/61/34/98/529613498.db2.gz ABFCHZDAADHJPS-QAETUUGQSA-N 1 3 266.473 3.379 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCc2ccc(Cl)s2)CC1(C)C ZINC000623360640 349788878 /nfs/dbraw/zinc/78/88/78/349788878.db2.gz RZTDBKXDHKNGBR-LLVKDONJSA-N 1 3 286.872 3.406 20 0 CGADHO C[N@H+]1CC[C@@H](NCCc2ccc(Cl)s2)CC1(C)C ZINC000623360640 349788881 /nfs/dbraw/zinc/78/88/81/349788881.db2.gz RZTDBKXDHKNGBR-LLVKDONJSA-N 1 3 286.872 3.406 20 0 CGADHO CC[C@H](C)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000093066478 529667763 /nfs/dbraw/zinc/66/77/63/529667763.db2.gz ZYRQSKZHNKVRNL-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000423272699 529669886 /nfs/dbraw/zinc/66/98/86/529669886.db2.gz IHRXATGPTAUMBR-UBHSHLNASA-N 1 3 252.427 3.306 20 0 CGADHO C[C@H](c1ccc(F)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000350951586 219072297 /nfs/dbraw/zinc/07/22/97/219072297.db2.gz QFAKRTIAUWJFIX-CYBMUJFWSA-N 1 3 264.388 3.160 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381957 349795075 /nfs/dbraw/zinc/79/50/75/349795075.db2.gz QEHBVBCLJTXWNC-NVXWUHKLSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381957 349795076 /nfs/dbraw/zinc/79/50/76/349795076.db2.gz QEHBVBCLJTXWNC-NVXWUHKLSA-N 1 3 272.436 3.445 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000358336037 282273247 /nfs/dbraw/zinc/27/32/47/282273247.db2.gz BLENGVRJKKHEMO-IKGGRYGDSA-N 1 3 282.472 3.044 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000358336037 282273251 /nfs/dbraw/zinc/27/32/51/282273251.db2.gz BLENGVRJKKHEMO-IKGGRYGDSA-N 1 3 282.472 3.044 20 0 CGADHO C[N@@H+]1CC[C@@H](N[C@H]2C[C@H](Oc3ccccc3)C2)CC1(C)C ZINC000623565424 349836659 /nfs/dbraw/zinc/83/66/59/349836659.db2.gz MPEXAQUUMILBFH-BFYDXBDKSA-N 1 3 288.435 3.059 20 0 CGADHO C[N@H+]1CC[C@@H](N[C@H]2C[C@H](Oc3ccccc3)C2)CC1(C)C ZINC000623565424 349836662 /nfs/dbraw/zinc/83/66/62/349836662.db2.gz MPEXAQUUMILBFH-BFYDXBDKSA-N 1 3 288.435 3.059 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000623656369 349858750 /nfs/dbraw/zinc/85/87/50/349858750.db2.gz SSLSUKVECZEBDJ-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128121222 187352763 /nfs/dbraw/zinc/35/27/63/187352763.db2.gz CQWVOHZCQYNDEC-FGTMMUONSA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128121222 187352765 /nfs/dbraw/zinc/35/27/65/187352765.db2.gz CQWVOHZCQYNDEC-FGTMMUONSA-N 1 3 284.447 3.323 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2nc(C)cs2)CC1 ZINC000623899985 349910603 /nfs/dbraw/zinc/91/06/03/349910603.db2.gz ZNIGRXRSMHBSAS-ZDUSSCGKSA-N 1 3 281.469 3.224 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000423267827 529985734 /nfs/dbraw/zinc/98/57/34/529985734.db2.gz FJFMOLIZPWPSDK-NEPJUHHUSA-N 1 3 266.454 3.133 20 0 CGADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411170896 529993479 /nfs/dbraw/zinc/99/34/79/529993479.db2.gz CNJVXQNRQWBKAQ-UHFFFAOYSA-N 1 3 258.409 3.267 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+]C1CCCCCC1 ZINC000032147829 344929850 /nfs/dbraw/zinc/92/98/50/344929850.db2.gz JPIVLSNYNSRFFV-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)CN1CCCC1 ZINC000089610067 232180413 /nfs/dbraw/zinc/18/04/13/232180413.db2.gz JJZUSZAQKBTNGH-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957647 349928030 /nfs/dbraw/zinc/92/80/30/349928030.db2.gz PMJIANQKIKRRQG-LHHMISFZSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957647 349928035 /nfs/dbraw/zinc/92/80/35/349928035.db2.gz PMJIANQKIKRRQG-LHHMISFZSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957647 349928039 /nfs/dbraw/zinc/92/80/39/349928039.db2.gz PMJIANQKIKRRQG-LHHMISFZSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1ccc2nccc(N[C@@H](C)C3CC[NH+](C)CC3)c2c1 ZINC000623968932 349931576 /nfs/dbraw/zinc/93/15/76/349931576.db2.gz QUNPLXQXDFDYCS-AWEZNQCLSA-N 1 3 283.419 3.107 20 0 CGADHO CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000623987956 349937146 /nfs/dbraw/zinc/93/71/46/349937146.db2.gz USZFMVZBCYDMBY-WBVHZDCISA-N 1 3 262.441 3.185 20 0 CGADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972585 345799161 /nfs/dbraw/zinc/79/91/61/345799161.db2.gz FGGTVHZMAVJIMX-QZTJIDSGSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972585 345799165 /nfs/dbraw/zinc/79/91/65/345799165.db2.gz FGGTVHZMAVJIMX-QZTJIDSGSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972585 345799169 /nfs/dbraw/zinc/79/91/69/345799169.db2.gz FGGTVHZMAVJIMX-QZTJIDSGSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000090964094 345799207 /nfs/dbraw/zinc/79/92/07/345799207.db2.gz PATYQPRJYZELIN-OAUYIBNBSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000090964094 345799209 /nfs/dbraw/zinc/79/92/09/345799209.db2.gz PATYQPRJYZELIN-OAUYIBNBSA-N 1 3 276.399 3.133 20 0 CGADHO c1ccc2c(C[NH2+]CCCN3CCCCC3)ccnc2c1 ZINC000113650241 345961022 /nfs/dbraw/zinc/96/10/22/345961022.db2.gz BNKMAAVXXWIAST-UHFFFAOYSA-N 1 3 283.419 3.200 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000174087265 232294611 /nfs/dbraw/zinc/29/46/11/232294611.db2.gz RSOWGUDDHBBDRI-INIZCTEOSA-N 1 3 290.451 3.187 20 0 CGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000122609856 346006109 /nfs/dbraw/zinc/00/61/09/346006109.db2.gz NEYBIBARROQJKU-CYBMUJFWSA-N 1 3 261.413 3.075 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc2[nH]ccc2c1)CN1CCCCC1 ZINC000229640559 346318404 /nfs/dbraw/zinc/31/84/04/346318404.db2.gz UOIIHNUJNQGMKA-OAHLLOKOSA-N 1 3 285.435 3.380 20 0 CGADHO CC[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000248376173 346375462 /nfs/dbraw/zinc/37/54/62/346375462.db2.gz ZVEIFZHGXYEMEN-HRCADAONSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248376173 346375463 /nfs/dbraw/zinc/37/54/63/346375463.db2.gz ZVEIFZHGXYEMEN-HRCADAONSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000248376173 346375464 /nfs/dbraw/zinc/37/54/64/346375464.db2.gz ZVEIFZHGXYEMEN-HRCADAONSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000248376173 346375468 /nfs/dbraw/zinc/37/54/68/346375468.db2.gz ZVEIFZHGXYEMEN-HRCADAONSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403415313 346596719 /nfs/dbraw/zinc/59/67/19/346596719.db2.gz WKHQIIISLUCWCF-OWCLPIDISA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)[NH+]1CCC(NCCc2ccc(F)cc2Cl)CC1 ZINC000584811608 346715758 /nfs/dbraw/zinc/71/57/58/346715758.db2.gz WMYIBSUQWFYADX-UHFFFAOYSA-N 1 3 298.833 3.484 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595020987 347259534 /nfs/dbraw/zinc/25/95/34/347259534.db2.gz BSHPQIWHPVZWNM-GJZGRUSLSA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CSCCF)C1 ZINC000595020987 347259539 /nfs/dbraw/zinc/25/95/39/347259539.db2.gz BSHPQIWHPVZWNM-GJZGRUSLSA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CSCCF)C1 ZINC000595020987 347259541 /nfs/dbraw/zinc/25/95/41/347259541.db2.gz BSHPQIWHPVZWNM-GJZGRUSLSA-N 1 3 290.492 3.035 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000351863942 219230755 /nfs/dbraw/zinc/23/07/55/219230755.db2.gz VWVWURQEEPAOMI-QAPCUYQASA-N 1 3 298.430 3.278 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000624120083 349976822 /nfs/dbraw/zinc/97/68/22/349976822.db2.gz QZESBLRZXJVOKI-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000624120083 349976824 /nfs/dbraw/zinc/97/68/24/349976824.db2.gz QZESBLRZXJVOKI-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000624120083 349976827 /nfs/dbraw/zinc/97/68/27/349976827.db2.gz QZESBLRZXJVOKI-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120653 349977178 /nfs/dbraw/zinc/97/71/78/349977178.db2.gz DMTSRJYUVCJJAN-DOTOQJQBSA-N 1 3 292.442 3.468 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120832 349978827 /nfs/dbraw/zinc/97/88/27/349978827.db2.gz HWVGLBYSWUOJBU-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120832 349978828 /nfs/dbraw/zinc/97/88/28/349978828.db2.gz HWVGLBYSWUOJBU-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120832 349978830 /nfs/dbraw/zinc/97/88/30/349978830.db2.gz HWVGLBYSWUOJBU-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(C)n1 ZINC000624122426 349981279 /nfs/dbraw/zinc/98/12/79/349981279.db2.gz RCSULRSJUXAAET-GDBMZVCRSA-N 1 3 275.440 3.081 20 0 CGADHO CC(CN1CCC[C@H]1C1CC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000605574339 348162368 /nfs/dbraw/zinc/16/23/68/348162368.db2.gz MSAWJKIOGPYTKF-ROUUACIJSA-N 1 3 276.468 3.371 20 0 CGADHO CC(CN1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000605574339 348162371 /nfs/dbraw/zinc/16/23/71/348162371.db2.gz MSAWJKIOGPYTKF-ROUUACIJSA-N 1 3 276.468 3.371 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H](C)c1ccc(F)cc1 ZINC000339409772 215155962 /nfs/dbraw/zinc/15/59/62/215155962.db2.gz NNZMQCKZHQODSS-XJKSGUPXSA-N 1 3 266.404 3.234 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(C)c1 ZINC000624124064 349983139 /nfs/dbraw/zinc/98/31/39/349983139.db2.gz WFJUIGJFOFJMOW-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000629531204 350703970 /nfs/dbraw/zinc/70/39/70/350703970.db2.gz DFSWLCJYIKTUFF-KLHDSHLOSA-N 1 3 270.461 3.076 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000629531660 350704217 /nfs/dbraw/zinc/70/42/17/350704217.db2.gz SVKHRVBOEMZRJI-TVFCKZIOSA-N 1 3 296.499 3.467 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556466 350712999 /nfs/dbraw/zinc/71/29/99/350712999.db2.gz QCNGDPOLYXBSSL-DAXOMENPSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555822 350713169 /nfs/dbraw/zinc/71/31/69/350713169.db2.gz FXWMVTYIYHJCFD-FIXISWKDSA-N 1 3 266.816 3.433 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565459 350713580 /nfs/dbraw/zinc/71/35/80/350713580.db2.gz VTJFSVCHZZQKJU-YIYPIFLZSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629565459 350713583 /nfs/dbraw/zinc/71/35/83/350713583.db2.gz VTJFSVCHZZQKJU-YIYPIFLZSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1 ZINC000629565459 350713584 /nfs/dbraw/zinc/71/35/84/350713584.db2.gz VTJFSVCHZZQKJU-YIYPIFLZSA-N 1 3 292.389 3.272 20 0 CGADHO CC(C)C[C@H](C)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564261 350714100 /nfs/dbraw/zinc/71/41/00/350714100.db2.gz SFQCNKOWBFKBIJ-XQQFMLRXSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000629407469 350689329 /nfs/dbraw/zinc/68/93/29/350689329.db2.gz AUHOINFJYVRGRQ-YECZKDOJSA-N 1 3 272.436 3.299 20 0 CGADHO CC[C@@H](CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629664564 350733422 /nfs/dbraw/zinc/73/34/22/350733422.db2.gz LBLSTARHCUXYCS-RYQLBKOJSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000631659522 351109118 /nfs/dbraw/zinc/10/91/18/351109118.db2.gz RPAIVYGCXBNLLG-GOEBONIOSA-N 1 3 278.415 3.235 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000631666789 351111520 /nfs/dbraw/zinc/11/15/20/351111520.db2.gz HYEAJVKQBWAUEA-JFIYKMOQSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000631666789 351111525 /nfs/dbraw/zinc/11/15/25/351111525.db2.gz HYEAJVKQBWAUEA-JFIYKMOQSA-N 1 3 296.499 3.170 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1CCCc2ncccc21)C(C)(C)C ZINC000631579922 351075993 /nfs/dbraw/zinc/07/59/93/351075993.db2.gz CQFRQSKQYVQCKL-IRXDYDNUSA-N 1 3 289.467 3.415 20 0 CGADHO C[C@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CCCC1 ZINC000635005472 351623573 /nfs/dbraw/zinc/62/35/73/351623573.db2.gz IYBCBDDGLZLZPT-YOEHRIQHSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005515 351623869 /nfs/dbraw/zinc/62/38/69/351623869.db2.gz OGXNHLJJRHZLJC-DJIMGWMZSA-N 1 3 260.425 3.115 20 0 CGADHO N[C@@H](CC[NH2+]C1CCC(C(F)F)CC1)Cc1ccccc1 ZINC000635007469 351625383 /nfs/dbraw/zinc/62/53/83/351625383.db2.gz OMKXYGKXAUTAPL-PCKAHOCUSA-N 1 3 296.405 3.360 20 0 CGADHO CC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccc1 ZINC000635009502 351627457 /nfs/dbraw/zinc/62/74/57/351627457.db2.gz NTEJPWHDNAXQAW-QGZVFWFLSA-N 1 3 296.418 3.054 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@H](c2cccnc2)C2CCC2)C1 ZINC000635009977 351628512 /nfs/dbraw/zinc/62/85/12/351628512.db2.gz IHEVEMKJQKJIND-SJORKVTESA-N 1 3 287.451 3.291 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010085 351628753 /nfs/dbraw/zinc/62/87/53/351628753.db2.gz YECJVSLEKFZVLD-RHSMWYFYSA-N 1 3 260.425 3.115 20 0 CGADHO c1cc2c(o1)CCC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635013001 351630903 /nfs/dbraw/zinc/63/09/03/351630903.db2.gz YIKVNHFMNFXGAG-KRWDZBQOSA-N 1 3 282.387 3.093 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1F ZINC000152437832 188018896 /nfs/dbraw/zinc/01/88/96/188018896.db2.gz VMMJQDNUKJNBQX-YVEFUNNKSA-N 1 3 294.389 3.490 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795537 188162047 /nfs/dbraw/zinc/16/20/47/188162047.db2.gz SNYBEDBBHVYKRB-ZOBUZTSGSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795537 188162048 /nfs/dbraw/zinc/16/20/48/188162048.db2.gz SNYBEDBBHVYKRB-ZOBUZTSGSA-N 1 3 298.434 3.006 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000271831449 191353803 /nfs/dbraw/zinc/35/38/03/191353803.db2.gz DWHKQFVLSQHNHC-GOSISDBHSA-N 1 3 272.436 3.249 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271873293 191383385 /nfs/dbraw/zinc/38/33/85/191383385.db2.gz NIKCNIPPFQVREM-GOSISDBHSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000271885204 191390244 /nfs/dbraw/zinc/39/02/44/191390244.db2.gz QPIAFKKBDYYDIS-GFCCVEGCSA-N 1 3 296.361 3.201 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271847007 191363953 /nfs/dbraw/zinc/36/39/53/191363953.db2.gz HYDFFZOCDQKVSN-GFCCVEGCSA-N 1 3 294.826 3.261 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271847007 191363955 /nfs/dbraw/zinc/36/39/55/191363955.db2.gz HYDFFZOCDQKVSN-GFCCVEGCSA-N 1 3 294.826 3.261 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415065948 235522291 /nfs/dbraw/zinc/52/22/91/235522291.db2.gz IABYLFPGLRRDIO-FUHWJXTLSA-N 1 3 272.436 3.130 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000091287744 138343646 /nfs/dbraw/zinc/34/36/46/138343646.db2.gz VSCXNABHMALWET-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO COc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000093688635 138348597 /nfs/dbraw/zinc/34/85/97/138348597.db2.gz FLYAUCGDLGGRJU-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Cc1cccs1 ZINC000422785103 235919587 /nfs/dbraw/zinc/91/95/87/235919587.db2.gz QTTYHCXNZNBOLU-KCQAQPDRSA-N 1 3 266.454 3.034 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093336 235971830 /nfs/dbraw/zinc/97/18/30/235971830.db2.gz HACUTFHPYYTWLK-WVYASWFKSA-N 1 3 296.817 3.384 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093336 235971832 /nfs/dbraw/zinc/97/18/32/235971832.db2.gz HACUTFHPYYTWLK-WVYASWFKSA-N 1 3 296.817 3.384 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423226929 236002358 /nfs/dbraw/zinc/00/23/58/236002358.db2.gz SVGDZDUWOGFICV-QWRGUYRKSA-N 1 3 288.407 3.432 20 0 CGADHO Clc1ccc([C@@H](CC2CC2)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000423327199 236040386 /nfs/dbraw/zinc/04/03/86/236040386.db2.gz DAYBKDVJJLQCPK-CZUORRHYSA-N 1 3 278.827 3.380 20 0 CGADHO Cc1ccc([C@@H](NCC2=CC[NH2+]CC2)C2CCCC2)o1 ZINC000423349844 236047404 /nfs/dbraw/zinc/04/74/04/236047404.db2.gz XVNSOYNWVYTOPI-KRWDZBQOSA-N 1 3 274.408 3.329 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423371394 236053375 /nfs/dbraw/zinc/05/33/75/236053375.db2.gz QGGZHKOQDBFIBW-UJEKJILKSA-N 1 3 280.456 3.116 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000423377794 236055179 /nfs/dbraw/zinc/05/51/79/236055179.db2.gz KJJZGRVELFXPFC-VVLHAWIVSA-N 1 3 287.451 3.146 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000423377686 236055300 /nfs/dbraw/zinc/05/53/00/236055300.db2.gz WCUCCSQRGWGVHC-NCOADZHNSA-N 1 3 258.409 3.182 20 0 CGADHO COc1cccc(C[C@H]([NH2+][C@H](C)[C@@H](C)N)c2ccccc2)c1 ZINC000423440925 236070838 /nfs/dbraw/zinc/07/08/38/236070838.db2.gz ISNLNBIALRFUGC-CLCXKQKWSA-N 1 3 298.430 3.304 20 0 CGADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)sc1Br ZINC000423455849 236074892 /nfs/dbraw/zinc/07/48/92/236074892.db2.gz DASYFDASPUAVFW-CIUDSAMLSA-N 1 3 291.258 3.205 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1(C)CC1 ZINC000423466633 236077540 /nfs/dbraw/zinc/07/75/40/236077540.db2.gz INIXOAFRIACRAH-JLJPHGGASA-N 1 3 290.426 3.297 20 0 CGADHO c1ccc([C@@H](NCCC2=CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423536659 236094168 /nfs/dbraw/zinc/09/41/68/236094168.db2.gz IBSGXZRBIWIZBW-LJQANCHMSA-N 1 3 293.414 3.070 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000423548560 236097577 /nfs/dbraw/zinc/09/75/77/236097577.db2.gz GSTUGIMHSSOLJG-DOTOQJQBSA-N 1 3 287.451 3.148 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccc(F)c(Cl)c1)CC[NH2+]CC2 ZINC000424295104 236143827 /nfs/dbraw/zinc/14/38/27/236143827.db2.gz QRMORGVVRHFNFQ-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO COCC(C)(C)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000426408698 236293435 /nfs/dbraw/zinc/29/34/35/236293435.db2.gz BZXQMLYDMDNLKG-SJORKVTESA-N 1 3 296.499 3.245 20 0 CGADHO COCC(C)(C)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000426408698 236293438 /nfs/dbraw/zinc/29/34/38/236293438.db2.gz BZXQMLYDMDNLKG-SJORKVTESA-N 1 3 296.499 3.245 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C[C@@H](C)C1 ZINC000252209590 291145205 /nfs/dbraw/zinc/14/52/05/291145205.db2.gz XVBPZJKQLFITQS-QLPKVWCKSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C(C)(C)C ZINC000423532348 299282345 /nfs/dbraw/zinc/28/23/45/299282345.db2.gz VHDISAXLXOECFR-PQJKGVAHSA-N 1 3 264.457 3.164 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)c1cccnc1 ZINC000423182419 296001479 /nfs/dbraw/zinc/00/14/79/296001479.db2.gz LTMPCNRAQVWDBL-DOTOQJQBSA-N 1 3 289.467 3.260 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136207 296027676 /nfs/dbraw/zinc/02/76/76/296027676.db2.gz YSQFDDWYMZCFCQ-GDBMZVCRSA-N 1 3 278.465 3.122 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136207 296027677 /nfs/dbraw/zinc/02/76/77/296027677.db2.gz YSQFDDWYMZCFCQ-GDBMZVCRSA-N 1 3 278.465 3.122 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1c1ccccc1)C1CNC1 ZINC000423163703 299318558 /nfs/dbraw/zinc/31/85/58/299318558.db2.gz RMDDBCYORHQQCL-LESCRADOSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000449237557 239260881 /nfs/dbraw/zinc/26/08/81/239260881.db2.gz BZQYJVSJRFURKJ-HUUCEWRRSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](Cc1ccoc1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000449237557 239260886 /nfs/dbraw/zinc/26/08/86/239260886.db2.gz BZQYJVSJRFURKJ-HUUCEWRRSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCC(C)(C)CO)CC2)C1 ZINC000449406859 239391508 /nfs/dbraw/zinc/39/15/08/239391508.db2.gz DBLVZIHLCDJSJI-RDJZCZTQSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCC(C)(C)CO)CC2)C1 ZINC000449406859 239391514 /nfs/dbraw/zinc/39/15/14/239391514.db2.gz DBLVZIHLCDJSJI-RDJZCZTQSA-N 1 3 296.499 3.028 20 0 CGADHO COc1cccc([C@H](C)[N@H+](C)CCCN2CCCC2)c1 ZINC000337284298 376190615 /nfs/dbraw/zinc/19/06/15/376190615.db2.gz YTNWZYSEASTRPW-HNNXBMFYSA-N 1 3 276.424 3.174 20 0 CGADHO COc1cccc([C@H](C)[N@@H+](C)CCCN2CCCC2)c1 ZINC000337284298 376190618 /nfs/dbraw/zinc/19/06/18/376190618.db2.gz YTNWZYSEASTRPW-HNNXBMFYSA-N 1 3 276.424 3.174 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1nccc2ccccc21 ZINC000423283390 299369169 /nfs/dbraw/zinc/36/91/69/299369169.db2.gz VZLSXJAJECYTTI-JLJPHGGASA-N 1 3 283.419 3.403 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459415265 242100988 /nfs/dbraw/zinc/10/09/88/242100988.db2.gz BKZGFGFALXAGFS-HXSCFSKGSA-N 1 3 252.446 3.274 20 0 CGADHO CCOc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000459729671 242196603 /nfs/dbraw/zinc/19/66/03/242196603.db2.gz DGLBQIWTVXXMRI-CQSZACIVSA-N 1 3 294.414 3.046 20 0 CGADHO CCOc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000459729671 242196608 /nfs/dbraw/zinc/19/66/08/242196608.db2.gz DGLBQIWTVXXMRI-CQSZACIVSA-N 1 3 294.414 3.046 20 0 CGADHO c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000121578258 370875165 /nfs/dbraw/zinc/87/51/65/370875165.db2.gz TWTCLZZANSHFGB-UHFFFAOYSA-N 1 3 287.451 3.170 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)C1CCC(C(F)(F)F)CC1 ZINC000423178693 296115509 /nfs/dbraw/zinc/11/55/09/296115509.db2.gz GHQNYVAHHVWNHO-VOMCLLRMSA-N 1 3 278.362 3.085 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)CN1CCCC1 ZINC000479566439 243113078 /nfs/dbraw/zinc/11/30/78/243113078.db2.gz CJEMQUNJRXHDTD-BHYGNILZSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@H](C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C)CN1CCCC1 ZINC000481305770 243187623 /nfs/dbraw/zinc/18/76/23/243187623.db2.gz KCRBNDUPEVTBHW-QWQRMKEZSA-N 1 3 290.426 3.381 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cncs1 ZINC000359941289 296122064 /nfs/dbraw/zinc/12/20/64/296122064.db2.gz KECSWFXWDQRXNH-ZIAGYGMSSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cncs1 ZINC000359941289 296122066 /nfs/dbraw/zinc/12/20/66/296122066.db2.gz KECSWFXWDQRXNH-ZIAGYGMSSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@H]1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000486358013 243360214 /nfs/dbraw/zinc/36/02/14/243360214.db2.gz HKLZEMCUPUEUGY-JKSUJKDBSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)cc1 ZINC000019905786 368778279 /nfs/dbraw/zinc/77/82/79/368778279.db2.gz BZNOSZPQZHRYMT-LBPRGKRZSA-N 1 3 252.377 3.064 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C(C)(C)c1ccccc1 ZINC000425925380 296131010 /nfs/dbraw/zinc/13/10/10/296131010.db2.gz QZYGTFKNUCXXJF-LSDHHAIUSA-N 1 3 262.441 3.140 20 0 CGADHO [NH3+]C[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000036457444 369022172 /nfs/dbraw/zinc/02/21/72/369022172.db2.gz MDSZZENOSKADCH-OAHLLOKOSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423118480 296133125 /nfs/dbraw/zinc/13/31/25/296133125.db2.gz ASUWNAIDGOBKOU-LPWJVIDDSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000423118480 296133127 /nfs/dbraw/zinc/13/31/27/296133127.db2.gz ASUWNAIDGOBKOU-LPWJVIDDSA-N 1 3 278.362 3.085 20 0 CGADHO CC[NH+]1CCC(NCc2cc(C)c(C)cc2C)CC1 ZINC000037976776 369130169 /nfs/dbraw/zinc/13/01/69/369130169.db2.gz ATYAXIKDDHHSTM-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC000037786588 369113016 /nfs/dbraw/zinc/11/30/16/369113016.db2.gz ISJWSTKSVAJKLD-UHFFFAOYSA-N 1 3 266.454 3.409 20 0 CGADHO C[C@H](NCCCC[NH+](C)C)c1ccccc1Cl ZINC000045662739 369283847 /nfs/dbraw/zinc/28/38/47/369283847.db2.gz JLNBUVNLVIOHPP-LBPRGKRZSA-N 1 3 254.805 3.332 20 0 CGADHO CCc1nc(CN[C@@H](C)CCC[NH+](CC)CC)cs1 ZINC000054918104 369507210 /nfs/dbraw/zinc/50/72/10/369507210.db2.gz OGSWYJZSARYSTQ-ZDUSSCGKSA-N 1 3 283.485 3.306 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000053658900 369488318 /nfs/dbraw/zinc/48/83/18/369488318.db2.gz YZYSIJGWGRHHPJ-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO CC(C)Cc1ncc(CN(C)CC2CC[NH+](C)CC2)s1 ZINC000093089393 370107945 /nfs/dbraw/zinc/10/79/45/370107945.db2.gz FLOTWNKJVYOQGN-UHFFFAOYSA-N 1 3 295.496 3.115 20 0 CGADHO Cc1ccc2cc(CN3CCCC[C@@H]3CC[NH3+])ccc2n1 ZINC000097862640 370256000 /nfs/dbraw/zinc/25/60/00/370256000.db2.gz QJIBSSJCKBBEII-QGZVFWFLSA-N 1 3 283.419 3.247 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000104420015 370345156 /nfs/dbraw/zinc/34/51/56/370345156.db2.gz MWPBOZIIABZAET-CVEARBPZSA-N 1 3 260.425 3.171 20 0 CGADHO Cc1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000113343965 370472925 /nfs/dbraw/zinc/47/29/25/370472925.db2.gz OISYHNHELGPFJO-UHFFFAOYSA-N 1 3 264.413 3.334 20 0 CGADHO C[NH+](C)C[C@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000113515235 370476890 /nfs/dbraw/zinc/47/68/90/370476890.db2.gz SXQVSTSBJVMJEW-OAHLLOKOSA-N 1 3 268.404 3.223 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)cc1N(C)C ZINC000132162051 371156727 /nfs/dbraw/zinc/15/67/27/371156727.db2.gz LUBPKJWWKOPAEW-CYBMUJFWSA-N 1 3 295.446 3.130 20 0 CGADHO c1ccc([C@H]2C[C@H]2C[NH2+]CCCN2CCCCC2)cc1 ZINC000135611030 371440036 /nfs/dbraw/zinc/44/00/36/371440036.db2.gz KWXXNSASFZIWOX-ZWKOTPCHSA-N 1 3 272.436 3.256 20 0 CGADHO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422703409 371758800 /nfs/dbraw/zinc/75/88/00/371758800.db2.gz NCYWJGRCFHWAIX-HNNXBMFYSA-N 1 3 297.446 3.359 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422709938 371763832 /nfs/dbraw/zinc/76/38/32/371763832.db2.gz ZYGINDKFKBYSBM-DYEKYZERSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(COc2ccccc2)c1 ZINC000422730857 371773411 /nfs/dbraw/zinc/77/34/11/371773411.db2.gz KOPGTXVLIFDIJE-CVEARBPZSA-N 1 3 298.430 3.481 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(Cl)cc1 ZINC000422736881 371775839 /nfs/dbraw/zinc/77/58/39/371775839.db2.gz YPYRJIUBZMVXPL-HUUCEWRRSA-N 1 3 266.816 3.132 20 0 CGADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422752270 371783972 /nfs/dbraw/zinc/78/39/72/371783972.db2.gz CMHSUEALWVBQAX-KSZLIROESA-N 1 3 294.483 3.236 20 0 CGADHO Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CCC[C@@H]1N ZINC000422822603 371829645 /nfs/dbraw/zinc/82/96/45/371829645.db2.gz KFQXYNYNCUUUSX-KBPBESRZSA-N 1 3 297.240 3.035 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1cccc(Cl)c1 ZINC000422826621 371831232 /nfs/dbraw/zinc/83/12/32/371831232.db2.gz RCXNGBQXIZRNKA-RYUDHWBXSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422826621 371831238 /nfs/dbraw/zinc/83/12/38/371831238.db2.gz RCXNGBQXIZRNKA-RYUDHWBXSA-N 1 3 268.832 3.333 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000422824506 371831592 /nfs/dbraw/zinc/83/15/92/371831592.db2.gz NWPMQRHOAIGJQZ-UONOGXRCSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](NCCCCOc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422833903 371833277 /nfs/dbraw/zinc/83/32/77/371833277.db2.gz NBFQZJRLUHDFAO-RHSMWYFYSA-N 1 3 294.414 3.105 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCOC1CCCC1 ZINC000422830447 371833346 /nfs/dbraw/zinc/83/33/46/371833346.db2.gz RDLOJAAMXZWLPY-CVEARBPZSA-N 1 3 282.472 3.236 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccs2)CCCCC1 ZINC000422775013 371799018 /nfs/dbraw/zinc/79/90/18/371799018.db2.gz ZKTYDBHYTDYADJ-KGLIPLIRSA-N 1 3 278.465 3.419 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422778681 371801369 /nfs/dbraw/zinc/80/13/69/371801369.db2.gz HWXUZBSNVVKSKQ-MJBXVCDLSA-N 1 3 264.413 3.252 20 0 CGADHO Cc1cc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422799384 371815241 /nfs/dbraw/zinc/81/52/41/371815241.db2.gz WMJHNZRMOMNXTN-LBPRGKRZSA-N 1 3 287.382 3.147 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1ccc(Cl)cc1 ZINC000422797459 371816828 /nfs/dbraw/zinc/81/68/28/371816828.db2.gz MPHNVXYOGWEOGZ-WWGRRREGSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422797459 371816832 /nfs/dbraw/zinc/81/68/32/371816832.db2.gz MPHNVXYOGWEOGZ-WWGRRREGSA-N 1 3 296.842 3.214 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422801949 371817885 /nfs/dbraw/zinc/81/78/85/371817885.db2.gz CQYXSOOWJLBEGB-HEHGZKQESA-N 1 3 266.404 3.108 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422944970 371885376 /nfs/dbraw/zinc/88/53/76/371885376.db2.gz MKSVEZOQALNUTD-ROUUACIJSA-N 1 3 268.404 3.099 20 0 CGADHO COc1cccc(C2(C[NH2+][C@@H](C)C[C@H](C)N)CCCC2)c1 ZINC000422887190 371855419 /nfs/dbraw/zinc/85/54/19/371855419.db2.gz KILGPYCVPGZMIY-GJZGRUSLSA-N 1 3 290.451 3.222 20 0 CGADHO COc1cccc(C2(CN[C@@H](C)C[C@H](C)[NH3+])CCCC2)c1 ZINC000422887190 371855424 /nfs/dbraw/zinc/85/54/24/371855424.db2.gz KILGPYCVPGZMIY-GJZGRUSLSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422891753 371857499 /nfs/dbraw/zinc/85/74/99/371857499.db2.gz WJMMUQUCESBZKW-WMLDXEAASA-N 1 3 285.435 3.078 20 0 CGADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897202 371859858 /nfs/dbraw/zinc/85/98/58/371859858.db2.gz BMCHJTAYDJZNNE-SJCJKPOMSA-N 1 3 290.357 3.013 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc2ccccc21 ZINC000422917379 371867941 /nfs/dbraw/zinc/86/79/41/371867941.db2.gz DNZOZZIMSRJUHC-KSSFIOAISA-N 1 3 268.404 3.318 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1cccc(Cl)c1 ZINC000422919135 371869228 /nfs/dbraw/zinc/86/92/28/371869228.db2.gz JNEQQEQNGWLMSX-WWGRRREGSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422919135 371869233 /nfs/dbraw/zinc/86/92/33/371869233.db2.gz JNEQQEQNGWLMSX-WWGRRREGSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932485 371877379 /nfs/dbraw/zinc/87/73/79/371877379.db2.gz FXTOKWBLJHQRTE-STQMWFEESA-N 1 3 284.831 3.214 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422931204 371877718 /nfs/dbraw/zinc/87/77/18/371877718.db2.gz AZZITCYRJZFMQU-AEFFLSMTSA-N 1 3 268.404 3.099 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843185 371835883 /nfs/dbraw/zinc/83/58/83/371835883.db2.gz HHQWEPRIVBYCFD-WMLDXEAASA-N 1 3 290.426 3.355 20 0 CGADHO CC[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000422849834 371838381 /nfs/dbraw/zinc/83/83/81/371838381.db2.gz MKLDJJKZZZFQRA-CRWXNKLISA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422849834 371838387 /nfs/dbraw/zinc/83/83/87/371838387.db2.gz MKLDJJKZZZFQRA-CRWXNKLISA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCCCc1ccc(F)cc1 ZINC000423060395 371939465 /nfs/dbraw/zinc/93/94/65/371939465.db2.gz IAXIOJVMLXRIQD-UONOGXRCSA-N 1 3 266.404 3.254 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423060795 371940876 /nfs/dbraw/zinc/94/08/76/371940876.db2.gz IZIHUVBFRDCLHM-HZPDHXFCSA-N 1 3 294.389 3.246 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423061846 371942159 /nfs/dbraw/zinc/94/21/59/371942159.db2.gz RNXLZPPMZOKTQI-LERXQTSPSA-N 1 3 286.341 3.278 20 0 CGADHO COc1cccc(C[C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422957879 371890338 /nfs/dbraw/zinc/89/03/38/371890338.db2.gz VTZGGRZEKZDQID-AGRHKRQWSA-N 1 3 296.414 3.361 20 0 CGADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422966303 371895635 /nfs/dbraw/zinc/89/56/35/371895635.db2.gz NLVJDEYYNHPZFW-UHNFBRDESA-N 1 3 285.391 3.129 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422974757 371897960 /nfs/dbraw/zinc/89/79/60/371897960.db2.gz AHDBPNDPSQMYPU-SLEUVZQESA-N 1 3 268.832 3.377 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422995203 371907190 /nfs/dbraw/zinc/90/71/90/371907190.db2.gz XIFUCSDWAQPJDH-RFQIPJPRSA-N 1 3 272.383 3.075 20 0 CGADHO COc1cccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000423000255 371907490 /nfs/dbraw/zinc/90/74/90/371907490.db2.gz GMLNARGMDGKVFI-WMLDXEAASA-N 1 3 290.451 3.080 20 0 CGADHO COc1cccc(C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000423000253 371907664 /nfs/dbraw/zinc/90/76/64/371907664.db2.gz GMLNARGMDGKVFI-PBHICJAKSA-N 1 3 290.451 3.080 20 0 CGADHO Cc1c(C)c(C)c(C[NH2+]C2CCNCC2)c(C)c1C ZINC000422998590 371908454 /nfs/dbraw/zinc/90/84/54/371908454.db2.gz QUYZTUPZERZLNV-UHFFFAOYSA-N 1 3 260.425 3.070 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422995201 371908482 /nfs/dbraw/zinc/90/84/82/371908482.db2.gz XIFUCSDWAQPJDH-REWJHTLYSA-N 1 3 272.383 3.075 20 0 CGADHO COc1cc(C)cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423006336 371912641 /nfs/dbraw/zinc/91/26/41/371912641.db2.gz VEVQPZJZZAQJNG-CYBMUJFWSA-N 1 3 299.418 3.017 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H](CCO)C2CCCCC2)c2ccccc21 ZINC000423009451 371914999 /nfs/dbraw/zinc/91/49/99/371914999.db2.gz VPXJDPGXUAYBQA-SQNIBIBYSA-N 1 3 288.435 3.052 20 0 CGADHO Cc1ccsc1CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423017459 371918140 /nfs/dbraw/zinc/91/81/40/371918140.db2.gz ORHRWSGQCWSIRV-CABCVRRESA-N 1 3 280.481 3.499 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423020574 371918321 /nfs/dbraw/zinc/91/83/21/371918321.db2.gz CANLTWYKYHBRLO-IAQYHMDHSA-N 1 3 296.817 3.228 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423020574 371918326 /nfs/dbraw/zinc/91/83/26/371918326.db2.gz CANLTWYKYHBRLO-IAQYHMDHSA-N 1 3 296.817 3.228 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423020573 371918817 /nfs/dbraw/zinc/91/88/17/371918817.db2.gz CANLTWYKYHBRLO-ABAIWWIYSA-N 1 3 296.817 3.228 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423020573 371918821 /nfs/dbraw/zinc/91/88/21/371918821.db2.gz CANLTWYKYHBRLO-ABAIWWIYSA-N 1 3 296.817 3.228 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)c2ccccc21 ZINC000423018053 371919053 /nfs/dbraw/zinc/91/90/53/371919053.db2.gz QADCDXFLUQNSMN-VXGBXAGGSA-N 1 3 290.354 3.016 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1cccc(F)c1F ZINC000423025432 371922018 /nfs/dbraw/zinc/92/20/18/371922018.db2.gz OFCKKNUICCPRQU-MNOVXSKESA-N 1 3 256.340 3.133 20 0 CGADHO [NH3+]CC1CCC(NC2(c3ccc(F)cc3F)CCC2)CC1 ZINC000423026027 371922439 /nfs/dbraw/zinc/92/24/39/371922439.db2.gz MTODLDXVAFGJLA-UHFFFAOYSA-N 1 3 294.389 3.451 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000423037632 371928250 /nfs/dbraw/zinc/92/82/50/371928250.db2.gz NFDFACWUANRERO-RDBSUJKOSA-N 1 3 260.425 3.342 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC2)c2ccccc21 ZINC000423048745 371933409 /nfs/dbraw/zinc/93/34/09/371933409.db2.gz IQNIDJZTHLCWDE-MSOLQXFVSA-N 1 3 278.399 3.496 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093642 371957764 /nfs/dbraw/zinc/95/77/64/371957764.db2.gz IHPXUXYKHLUSPS-ADAWSYLGSA-N 1 3 290.426 3.440 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092388 371958910 /nfs/dbraw/zinc/95/89/10/371958910.db2.gz BSRPOFWEYQHFAG-HJWJTTGWSA-N 1 3 276.399 3.321 20 0 CGADHO CSc1cccc(F)c1CN[C@H](C)CCCC[NH3+] ZINC000423101360 371966160 /nfs/dbraw/zinc/96/61/60/371966160.db2.gz IMYQVHCGZKAACG-LLVKDONJSA-N 1 3 270.417 3.155 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423170978 372001723 /nfs/dbraw/zinc/00/17/23/372001723.db2.gz ZEGGLJQFDFQBLZ-XOKHGSTOSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106541 371970628 /nfs/dbraw/zinc/97/06/28/371970628.db2.gz ZZHKJVXWXUKYLH-UHXUCMFUSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106541 371970633 /nfs/dbraw/zinc/97/06/33/371970633.db2.gz ZZHKJVXWXUKYLH-UHXUCMFUSA-N 1 3 266.816 3.301 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@H](C)N)c(C)c1 ZINC000423125067 371978492 /nfs/dbraw/zinc/97/84/92/371978492.db2.gz HIRLWAHUIOMDND-LSDHHAIUSA-N 1 3 262.441 3.296 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000423125067 371978501 /nfs/dbraw/zinc/97/85/01/371978501.db2.gz HIRLWAHUIOMDND-LSDHHAIUSA-N 1 3 262.441 3.296 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423127358 371980237 /nfs/dbraw/zinc/98/02/37/371980237.db2.gz BWZADQIFTXQVIB-SCRDCRAPSA-N 1 3 288.357 3.438 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000423127358 371980245 /nfs/dbraw/zinc/98/02/45/371980245.db2.gz BWZADQIFTXQVIB-SCRDCRAPSA-N 1 3 288.357 3.438 20 0 CGADHO CC(F)(F)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423132644 371982905 /nfs/dbraw/zinc/98/29/05/371982905.db2.gz JPPQXEIAHQQOAO-OCCSQVGLSA-N 1 3 268.351 3.015 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290432361 371988097 /nfs/dbraw/zinc/98/80/97/371988097.db2.gz LHJKCPCQYAVDQS-SJLPKXTDSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290432361 371988098 /nfs/dbraw/zinc/98/80/98/371988098.db2.gz LHJKCPCQYAVDQS-SJLPKXTDSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146461 371990912 /nfs/dbraw/zinc/99/09/12/371990912.db2.gz PJQKHDKIGDCAOV-YVECIDJPSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146461 371990915 /nfs/dbraw/zinc/99/09/15/371990915.db2.gz PJQKHDKIGDCAOV-YVECIDJPSA-N 1 3 266.816 3.301 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423146710 371991185 /nfs/dbraw/zinc/99/11/85/371991185.db2.gz QANWTXBVSNTCMM-SOLBZPMBSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423158268 371996338 /nfs/dbraw/zinc/99/63/38/371996338.db2.gz NTQDMUGHZRRWGL-RVMXOQNASA-N 1 3 278.362 3.228 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCCN1 ZINC000423158268 371996343 /nfs/dbraw/zinc/99/63/43/371996343.db2.gz NTQDMUGHZRRWGL-RVMXOQNASA-N 1 3 278.362 3.228 20 0 CGADHO Cc1ccc(F)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423159229 371996660 /nfs/dbraw/zinc/99/66/60/371996660.db2.gz XPJQDOXNOCBUGE-NXHRZFHOSA-N 1 3 290.426 3.187 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423166054 371998640 /nfs/dbraw/zinc/99/86/40/371998640.db2.gz BZVHYWBOWGLOGT-LSDHHAIUSA-N 1 3 278.827 3.132 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC1(Cc2cccc(Cl)c2)CC1 ZINC000423168496 372000590 /nfs/dbraw/zinc/00/05/90/372000590.db2.gz YCUYTGJMDUPWHM-RYUDHWBXSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000423168496 372000596 /nfs/dbraw/zinc/00/05/96/372000596.db2.gz YCUYTGJMDUPWHM-RYUDHWBXSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083712 371954595 /nfs/dbraw/zinc/95/45/95/371954595.db2.gz GKYINBFCYNMUKV-WNOSKKOXSA-N 1 3 276.399 3.049 20 0 CGADHO C[NH+]1CCC([C@H]2CCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000290639581 372031558 /nfs/dbraw/zinc/03/15/58/372031558.db2.gz YJTRKMUCUFXAJZ-HNNXBMFYSA-N 1 3 294.389 3.129 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423219251 372037475 /nfs/dbraw/zinc/03/74/75/372037475.db2.gz SZIHSGSUJJOXAC-MCIONIFRSA-N 1 3 296.405 3.264 20 0 CGADHO CCC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423220309 372040575 /nfs/dbraw/zinc/04/05/75/372040575.db2.gz XZSJTPDVKFSEKR-RHSMWYFYSA-N 1 3 276.424 3.126 20 0 CGADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423256711 372043623 /nfs/dbraw/zinc/04/36/23/372043623.db2.gz FUOGVUUNEQUPAI-QWHCGFSZSA-N 1 3 293.480 3.062 20 0 CGADHO Clc1ccc2c(c1Cl)CC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423347128 372053500 /nfs/dbraw/zinc/05/35/00/372053500.db2.gz QDJSOIFTCFCPCN-AWEZNQCLSA-N 1 3 297.229 3.490 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CCN1 ZINC000423380584 372058387 /nfs/dbraw/zinc/05/83/87/372058387.db2.gz NBFSQTFSAIZRSK-SRCQZFHVSA-N 1 3 292.854 3.391 20 0 CGADHO C[C@@H]1C[C@H](N[C@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]1 ZINC000423380584 372058394 /nfs/dbraw/zinc/05/83/94/372058394.db2.gz NBFSQTFSAIZRSK-SRCQZFHVSA-N 1 3 292.854 3.391 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423178943 372008581 /nfs/dbraw/zinc/00/85/81/372008581.db2.gz LJYWFKUTLSSMTM-ZDUSSCGKSA-N 1 3 262.397 3.007 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423186201 372012232 /nfs/dbraw/zinc/01/22/32/372012232.db2.gz WSCZQRMKVKMCGA-GFCCVEGCSA-N 1 3 252.427 3.369 20 0 CGADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000159219149 372117769 /nfs/dbraw/zinc/11/77/69/372117769.db2.gz HLWBJYAHKHKTFQ-INIZCTEOSA-N 1 3 290.451 3.147 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423502904 372071200 /nfs/dbraw/zinc/07/12/00/372071200.db2.gz FNNDHDGBTJHOGS-ROUUACIJSA-N 1 3 288.435 3.180 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158539507 372073331 /nfs/dbraw/zinc/07/33/31/372073331.db2.gz XPNNCCJRQKSMAK-LZLYRXPVSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158539507 372073333 /nfs/dbraw/zinc/07/33/33/372073333.db2.gz XPNNCCJRQKSMAK-LZLYRXPVSA-N 1 3 272.436 3.472 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000424374012 372085439 /nfs/dbraw/zinc/08/54/39/372085439.db2.gz KOULSRBNSPFJFQ-DODZYUBVSA-N 1 3 298.430 3.021 20 0 CGADHO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424371699 372085613 /nfs/dbraw/zinc/08/56/13/372085613.db2.gz GEQNVBFDJLMXNL-NILFDRSVSA-N 1 3 264.438 3.329 20 0 CGADHO CC(C)CC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162863545 372429837 /nfs/dbraw/zinc/42/98/37/372429837.db2.gz QDALLSBLSOIZEI-YESZJQIVSA-N 1 3 284.488 3.290 20 0 CGADHO CCn1cc([C@@H](C)NCCCCC[NH+]2CCCCC2)cn1 ZINC000164630617 372526138 /nfs/dbraw/zinc/52/61/38/372526138.db2.gz IRXDJNHGSCONCA-MRXNPFEDSA-N 1 3 292.471 3.210 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(OC)c1 ZINC000165278652 372547925 /nfs/dbraw/zinc/54/79/25/372547925.db2.gz DEAVBXUYCAIJFC-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000294175696 372603953 /nfs/dbraw/zinc/60/39/53/372603953.db2.gz DBGVTTDMWMQTCL-DOMZBBRYSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175696 372603960 /nfs/dbraw/zinc/60/39/60/372603960.db2.gz DBGVTTDMWMQTCL-DOMZBBRYSA-N 1 3 264.438 3.273 20 0 CGADHO CN(Cc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435438638 372765871 /nfs/dbraw/zinc/76/58/71/372765871.db2.gz QWTLYKFPNAWWKD-LJQANCHMSA-N 1 3 295.430 3.323 20 0 CGADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000353450559 220089898 /nfs/dbraw/zinc/08/98/98/220089898.db2.gz UHRUWLXRRCQBEY-LMWSTFAQSA-N 1 3 282.378 3.488 20 0 CGADHO C[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114195 372888907 /nfs/dbraw/zinc/88/89/07/372888907.db2.gz DJJBLBFDAKANBC-CVEARBPZSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114195 372888916 /nfs/dbraw/zinc/88/89/16/372888916.db2.gz DJJBLBFDAKANBC-CVEARBPZSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114195 372888928 /nfs/dbraw/zinc/88/89/28/372888928.db2.gz DJJBLBFDAKANBC-CVEARBPZSA-N 1 3 290.426 3.347 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000295909500 372954777 /nfs/dbraw/zinc/95/47/77/372954777.db2.gz JEHAWZYQMUTWIP-CYBMUJFWSA-N 1 3 295.858 3.290 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2c1 ZINC000174515192 373331960 /nfs/dbraw/zinc/33/19/60/373331960.db2.gz ZTTLCTXGUUDIQL-RDTXWAMCSA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000174515192 373331969 /nfs/dbraw/zinc/33/19/69/373331969.db2.gz ZTTLCTXGUUDIQL-RDTXWAMCSA-N 1 3 298.430 3.421 20 0 CGADHO CCN(C[C@H](O)C[N@H+](CC)[C@@H](C)C(C)C)[C@H](C)C(C)C ZINC000447162461 373409386 /nfs/dbraw/zinc/40/93/86/373409386.db2.gz IVVZSFJYWQAGPD-FVQHAEBGSA-N 1 3 286.504 3.080 20 0 CGADHO CCN(C[C@H](O)C[N@@H+](CC)[C@@H](C)C(C)C)[C@H](C)C(C)C ZINC000447162461 373409397 /nfs/dbraw/zinc/40/93/97/373409397.db2.gz IVVZSFJYWQAGPD-FVQHAEBGSA-N 1 3 286.504 3.080 20 0 CGADHO CCN(C[C@@H](O)C[N@H+](CC)[C@H](C)C(C)C)[C@@H](C)C(C)C ZINC000447162461 373409406 /nfs/dbraw/zinc/40/94/06/373409406.db2.gz IVVZSFJYWQAGPD-FVQHAEBGSA-N 1 3 286.504 3.080 20 0 CGADHO CCN(C[C@@H](O)C[N@@H+](CC)[C@H](C)C(C)C)[C@@H](C)C(C)C ZINC000447162461 373409413 /nfs/dbraw/zinc/40/94/13/373409413.db2.gz IVVZSFJYWQAGPD-FVQHAEBGSA-N 1 3 286.504 3.080 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCOCCN(C)C ZINC000447593807 373461864 /nfs/dbraw/zinc/46/18/64/373461864.db2.gz VANOZWFRYIVSAH-GOSISDBHSA-N 1 3 292.467 3.250 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCCNC1 ZINC000300125762 373619938 /nfs/dbraw/zinc/61/99/38/373619938.db2.gz VEJLUVVVZAJKPJ-ZWKOTPCHSA-N 1 3 274.452 3.329 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCCNC1 ZINC000300125762 373619946 /nfs/dbraw/zinc/61/99/46/373619946.db2.gz VEJLUVVVZAJKPJ-ZWKOTPCHSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086250 373661918 /nfs/dbraw/zinc/66/19/18/373661918.db2.gz BLCADQFLKGAPSW-HMDCTGQHSA-N 1 3 264.457 3.418 20 0 CGADHO CN1CCC[C@H]1CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179582935 373891094 /nfs/dbraw/zinc/89/10/94/373891094.db2.gz IGUCUXXMBCEBHI-HNNXBMFYSA-N 1 3 264.388 3.135 20 0 CGADHO CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180156583 373972144 /nfs/dbraw/zinc/97/21/44/373972144.db2.gz RHUCNPSVZWAGKP-LEUOFYLZSA-N 1 3 272.436 3.285 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000450356845 374078866 /nfs/dbraw/zinc/07/88/66/374078866.db2.gz XOYXPOWEKQJILF-UKRRQHHQSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000450356845 374078872 /nfs/dbraw/zinc/07/88/72/374078872.db2.gz XOYXPOWEKQJILF-UKRRQHHQSA-N 1 3 283.419 3.114 20 0 CGADHO CCC[C@H](C)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180765919 374044788 /nfs/dbraw/zinc/04/47/88/374044788.db2.gz NRBXZJOOYZBHCH-ZMSDIMECSA-N 1 3 264.457 3.371 20 0 CGADHO CCC[C@H](C)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180765919 374044792 /nfs/dbraw/zinc/04/47/92/374044792.db2.gz NRBXZJOOYZBHCH-ZMSDIMECSA-N 1 3 264.457 3.371 20 0 CGADHO CCc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000450343957 374071683 /nfs/dbraw/zinc/07/16/83/374071683.db2.gz GCXZMUPAWJADJW-MRXNPFEDSA-N 1 3 273.424 3.099 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(OCc2ccccc2)cc1 ZINC000309978855 374206243 /nfs/dbraw/zinc/20/62/43/374206243.db2.gz TWAYMAWABMKGFG-HNNXBMFYSA-N 1 3 284.403 3.093 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000182055508 374211723 /nfs/dbraw/zinc/21/17/23/374211723.db2.gz PUHJIUDCXUXTNG-FUHWJXTLSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)CN(C)C ZINC000310240915 374212300 /nfs/dbraw/zinc/21/23/00/374212300.db2.gz LTKHEJBMUDFNSG-NEPJUHHUSA-N 1 3 299.256 3.297 20 0 CGADHO CC(C)[C@@H](NC[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000310246807 374212445 /nfs/dbraw/zinc/21/24/45/374212445.db2.gz NAGAHBXBRRKIRV-SMDDNHRTSA-N 1 3 254.805 3.222 20 0 CGADHO C[C@@H](CC[NH2+]C[C@H]1CC=CCC1)N1CCCCC1 ZINC000184341286 374515183 /nfs/dbraw/zinc/51/51/83/374515183.db2.gz IJFDLQXXPOBHBN-HOTGVXAUSA-N 1 3 250.430 3.197 20 0 CGADHO CCC1(CC)CN(CC[C@@H]2CCCC[N@@H+]2C)CCS1 ZINC000464582564 374888916 /nfs/dbraw/zinc/88/89/16/374888916.db2.gz OGIDJPBWOPMJLL-HNNXBMFYSA-N 1 3 284.513 3.468 20 0 CGADHO CCC1(CC)CN(CC[C@@H]2CCCC[N@H+]2C)CCS1 ZINC000464582564 374888920 /nfs/dbraw/zinc/88/89/20/374888920.db2.gz OGIDJPBWOPMJLL-HNNXBMFYSA-N 1 3 284.513 3.468 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCSCC1 ZINC000187541949 375036967 /nfs/dbraw/zinc/03/69/67/375036967.db2.gz CTXQGYDFSAIQJL-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335017830 375074371 /nfs/dbraw/zinc/07/43/71/375074371.db2.gz NWIVUSYSEPCUPV-RDJZCZTQSA-N 1 3 258.409 3.054 20 0 CGADHO Clc1cccc([C@@H]2CC[C@H]([NH2+]C3CCNCC3)C2)c1 ZINC000335021273 375075674 /nfs/dbraw/zinc/07/56/74/375075674.db2.gz GMNLHRWGNQZTHN-CJNGLKHVSA-N 1 3 278.827 3.318 20 0 CGADHO c1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000335022767 375077030 /nfs/dbraw/zinc/07/70/30/375077030.db2.gz GJFKYUWNANIIGR-HKUYNNGSSA-N 1 3 294.398 3.032 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc2sccc2c1 ZINC000335181752 375207182 /nfs/dbraw/zinc/20/71/82/375207182.db2.gz QSTSFORKUOSDRN-IUODEOHRSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc2sccc2c1 ZINC000335181752 375207190 /nfs/dbraw/zinc/20/71/90/375207190.db2.gz QSTSFORKUOSDRN-IUODEOHRSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H](c1cccc(F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197895 296233273 /nfs/dbraw/zinc/23/32/73/296233273.db2.gz NVXGGHRXAWROJC-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1CC(NCCc1cccc(Cl)c1)C2 ZINC000192606661 375769508 /nfs/dbraw/zinc/76/95/08/375769508.db2.gz ASIPPGVTIZBRPW-MQVJKMGUSA-N 1 3 278.827 3.097 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCCc1cccc(Cl)c1)C2 ZINC000192606661 375769514 /nfs/dbraw/zinc/76/95/14/375769514.db2.gz ASIPPGVTIZBRPW-MQVJKMGUSA-N 1 3 278.827 3.097 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1Cl ZINC000520935321 375872602 /nfs/dbraw/zinc/87/26/02/375872602.db2.gz QFRZPDBIVKNSSR-RYUDHWBXSA-N 1 3 284.831 3.197 20 0 CGADHO CCc1ncc(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000535815238 376064709 /nfs/dbraw/zinc/06/47/09/376064709.db2.gz OKTQVDLYQFEAIY-UHFFFAOYSA-N 1 3 295.496 3.258 20 0 CGADHO CCc1ncc(CN2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000535815238 376064716 /nfs/dbraw/zinc/06/47/16/376064716.db2.gz OKTQVDLYQFEAIY-UHFFFAOYSA-N 1 3 295.496 3.258 20 0 CGADHO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946562 376137753 /nfs/dbraw/zinc/13/77/53/376137753.db2.gz GFNUYTHTQUAAFU-RDTXWAMCSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946562 376137757 /nfs/dbraw/zinc/13/77/57/376137757.db2.gz GFNUYTHTQUAAFU-RDTXWAMCSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536856587 376138111 /nfs/dbraw/zinc/13/81/11/376138111.db2.gz GQCPBLXULCMGJC-XMTFNYHQSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969494 376155042 /nfs/dbraw/zinc/15/50/42/376155042.db2.gz VJLFLMJEMLEPAO-KBPBESRZSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969494 376155046 /nfs/dbraw/zinc/15/50/46/376155046.db2.gz VJLFLMJEMLEPAO-KBPBESRZSA-N 1 3 278.399 3.426 20 0 CGADHO CN(CCCCC(F)(F)F)CCC[NH+]1CCCC1 ZINC000337278237 376185980 /nfs/dbraw/zinc/18/59/80/376185980.db2.gz SMCASKNKYXWLKA-UHFFFAOYSA-N 1 3 266.351 3.137 20 0 CGADHO CCCC[C@@H](CC)CC[NH2+]CC1=CCN(C)CC1 ZINC000538488233 376244842 /nfs/dbraw/zinc/24/48/42/376244842.db2.gz VSBAXGGNWLQMIJ-OAHLLOKOSA-N 1 3 252.446 3.444 20 0 CGADHO Fc1cccc(C2([NH2+]C3CCN(CC4CC4)CC3)CC2)c1 ZINC000538554135 376248454 /nfs/dbraw/zinc/24/84/54/376248454.db2.gz QNLOYXLHVXFDIH-UHFFFAOYSA-N 1 3 288.410 3.279 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C[C@H]1C ZINC000539510060 376315702 /nfs/dbraw/zinc/31/57/02/376315702.db2.gz WMQFVGUQOADYHW-OIISXLGYSA-N 1 3 264.457 3.299 20 0 CGADHO CC(C)SCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338291864 376317932 /nfs/dbraw/zinc/31/79/32/376317932.db2.gz NXIJTZQHHHJYED-HUUCEWRRSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338291864 376317939 /nfs/dbraw/zinc/31/79/39/376317939.db2.gz NXIJTZQHHHJYED-HUUCEWRRSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291864 376317943 /nfs/dbraw/zinc/31/79/43/376317943.db2.gz NXIJTZQHHHJYED-HUUCEWRRSA-N 1 3 284.513 3.371 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000226313322 376350357 /nfs/dbraw/zinc/35/03/57/376350357.db2.gz LOBAZJBQWUIUSK-OAHLLOKOSA-N 1 3 290.451 3.466 20 0 CGADHO COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000540152260 376360157 /nfs/dbraw/zinc/36/01/57/376360157.db2.gz TURJIFSWRIIBOO-IRXDYDNUSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000540152260 376360167 /nfs/dbraw/zinc/36/01/67/376360167.db2.gz TURJIFSWRIIBOO-IRXDYDNUSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152260 376360172 /nfs/dbraw/zinc/36/01/72/376360172.db2.gz TURJIFSWRIIBOO-IRXDYDNUSA-N 1 3 284.488 3.005 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000544023125 376695461 /nfs/dbraw/zinc/69/54/61/376695461.db2.gz FFQFGDVWLATSPG-FVQBIDKESA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000544023125 376695467 /nfs/dbraw/zinc/69/54/67/376695467.db2.gz FFQFGDVWLATSPG-FVQBIDKESA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544023125 376695470 /nfs/dbraw/zinc/69/54/70/376695470.db2.gz FFQFGDVWLATSPG-FVQBIDKESA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000544023125 376695473 /nfs/dbraw/zinc/69/54/73/376695473.db2.gz FFQFGDVWLATSPG-FVQBIDKESA-N 1 3 278.465 3.095 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245468696 376825545 /nfs/dbraw/zinc/82/55/45/376825545.db2.gz UAOXXKQRVXXCQU-HZPDHXFCSA-N 1 3 260.425 3.458 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245520943 376841789 /nfs/dbraw/zinc/84/17/89/376841789.db2.gz SYTFOYVNAFUCSO-GUYCJALGSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245520943 376841797 /nfs/dbraw/zinc/84/17/97/376841797.db2.gz SYTFOYVNAFUCSO-GUYCJALGSA-N 1 3 276.399 3.087 20 0 CGADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000556925550 376906050 /nfs/dbraw/zinc/90/60/50/376906050.db2.gz UWQKTUNOEWLWJO-BPQIPLTHSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000556925550 376906052 /nfs/dbraw/zinc/90/60/52/376906052.db2.gz UWQKTUNOEWLWJO-BPQIPLTHSA-N 1 3 290.451 3.227 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000246342493 377014047 /nfs/dbraw/zinc/01/40/47/377014047.db2.gz GZDSAYQCSZIGGG-HUUCEWRRSA-N 1 3 254.462 3.379 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246739541 377081732 /nfs/dbraw/zinc/08/17/32/377081732.db2.gz YMTDHRSYHCHEDZ-CKEIUWERSA-N 1 3 260.425 3.067 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246739541 377081743 /nfs/dbraw/zinc/08/17/43/377081743.db2.gz YMTDHRSYHCHEDZ-CKEIUWERSA-N 1 3 260.425 3.067 20 0 CGADHO C1=C[C@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792671 377098273 /nfs/dbraw/zinc/09/82/73/377098273.db2.gz DXPYUMQOVATTKA-SJORKVTESA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@H]([N@@H+]2CC[C@H](CN3CCCC3)C2)CCCCC1 ZINC000559792671 377098276 /nfs/dbraw/zinc/09/82/76/377098276.db2.gz DXPYUMQOVATTKA-SJORKVTESA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@H]([N@H+]2CC[C@H](CN3CCCC3)C2)CCCCC1 ZINC000559792671 377098277 /nfs/dbraw/zinc/09/82/77/377098277.db2.gz DXPYUMQOVATTKA-SJORKVTESA-N 1 3 262.441 3.293 20 0 CGADHO CCC1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000560244489 377133173 /nfs/dbraw/zinc/13/31/73/377133173.db2.gz ZEGYXUSHVWOGCR-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CCC1CC(NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000560244489 377133180 /nfs/dbraw/zinc/13/31/80/377133180.db2.gz ZEGYXUSHVWOGCR-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000247208911 377177749 /nfs/dbraw/zinc/17/77/49/377177749.db2.gz VPSOFGHLJSQZCO-RYRKJORJSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000247208911 377177754 /nfs/dbraw/zinc/17/77/54/377177754.db2.gz VPSOFGHLJSQZCO-RYRKJORJSA-N 1 3 290.451 3.082 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC000247253896 377185263 /nfs/dbraw/zinc/18/52/63/377185263.db2.gz XIKSOJAJOUITGD-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC000247253896 377185267 /nfs/dbraw/zinc/18/52/67/377185267.db2.gz XIKSOJAJOUITGD-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000247253896 377185273 /nfs/dbraw/zinc/18/52/73/377185273.db2.gz XIKSOJAJOUITGD-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000247253896 377185284 /nfs/dbraw/zinc/18/52/84/377185284.db2.gz XIKSOJAJOUITGD-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO C1CC1[C@@H]1CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000562040626 377269093 /nfs/dbraw/zinc/26/90/93/377269093.db2.gz BVYGSXXGQAMOHX-DLBZAZTESA-N 1 3 262.441 3.172 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@H](C)c2ccccc2C)C1 ZINC000247987176 377251733 /nfs/dbraw/zinc/25/17/33/377251733.db2.gz IYKJBAFAYYXXSS-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccccc2C)C1 ZINC000247987176 377251741 /nfs/dbraw/zinc/25/17/41/377251741.db2.gz IYKJBAFAYYXXSS-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000247987176 377251746 /nfs/dbraw/zinc/25/17/46/377251746.db2.gz IYKJBAFAYYXXSS-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000247987176 377251754 /nfs/dbraw/zinc/25/17/54/377251754.db2.gz IYKJBAFAYYXXSS-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000247436694 377204629 /nfs/dbraw/zinc/20/46/29/377204629.db2.gz MTOCJPWEERAFTE-CVEARBPZSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000247436694 377204638 /nfs/dbraw/zinc/20/46/38/377204638.db2.gz MTOCJPWEERAFTE-CVEARBPZSA-N 1 3 290.451 3.186 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1F ZINC000248160955 377274413 /nfs/dbraw/zinc/27/44/13/377274413.db2.gz SBUUFBOTMUAPGY-XJKCOSOUSA-N 1 3 294.414 3.043 20 0 CGADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248399831 377308417 /nfs/dbraw/zinc/30/84/17/377308417.db2.gz KIRUOAJBNHFFLU-RCCFBDPRSA-N 1 3 272.436 3.287 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000161611048 542160055 /nfs/dbraw/zinc/16/00/55/542160055.db2.gz FDWJXKADSRPYHL-KBXCAEBGSA-N 1 3 272.436 3.384 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587876 377357058 /nfs/dbraw/zinc/35/70/58/377357058.db2.gz YJIHWDSOQFSJPK-RBUKOAKNSA-N 1 3 286.463 3.425 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587876 377357063 /nfs/dbraw/zinc/35/70/63/377357063.db2.gz YJIHWDSOQFSJPK-RBUKOAKNSA-N 1 3 286.463 3.425 20 0 CGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(C)C ZINC000248882786 377421016 /nfs/dbraw/zinc/42/10/16/377421016.db2.gz RUVYYEIOXUDINA-GVDBMIGSSA-N 1 3 296.499 3.289 20 0 CGADHO C[NH+]1CCC(CNCc2cc(Cl)ccc2Cl)CC1 ZINC000087759177 249024261 /nfs/dbraw/zinc/02/42/61/249024261.db2.gz VVKOJKMCKJGERM-UHFFFAOYSA-N 1 3 287.234 3.425 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000090721562 249029529 /nfs/dbraw/zinc/02/95/29/249029529.db2.gz ZVGTZUQHRRNZMQ-KSSFIOAISA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721562 249029531 /nfs/dbraw/zinc/02/95/31/249029531.db2.gz ZVGTZUQHRRNZMQ-KSSFIOAISA-N 1 3 268.404 3.412 20 0 CGADHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000093490855 249037244 /nfs/dbraw/zinc/03/72/44/249037244.db2.gz SONWDVKUODEXSM-OWCLPIDISA-N 1 3 252.446 3.323 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000163604140 542168221 /nfs/dbraw/zinc/16/82/21/542168221.db2.gz SSXCQMKPBNBIBT-BRSBDYLESA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000163604140 542168228 /nfs/dbraw/zinc/16/82/28/542168228.db2.gz SSXCQMKPBNBIBT-BRSBDYLESA-N 1 3 270.420 3.007 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037649238 249002855 /nfs/dbraw/zinc/00/28/55/249002855.db2.gz FKGJUSWVZBFYAF-GJZGRUSLSA-N 1 3 288.435 3.220 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000037644009 249003110 /nfs/dbraw/zinc/00/31/10/249003110.db2.gz QEFLFZLNDXKJLO-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCCc3ccccc32)C1 ZINC000037644009 249003112 /nfs/dbraw/zinc/00/31/12/249003112.db2.gz QEFLFZLNDXKJLO-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCCc3ccccc32)C1 ZINC000037644009 249003113 /nfs/dbraw/zinc/00/31/13/249003113.db2.gz QEFLFZLNDXKJLO-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000166832033 542176056 /nfs/dbraw/zinc/17/60/56/542176056.db2.gz UZAKKBRPOMXFBH-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000166832033 542176059 /nfs/dbraw/zinc/17/60/59/542176059.db2.gz UZAKKBRPOMXFBH-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000166832033 542176063 /nfs/dbraw/zinc/17/60/63/542176063.db2.gz UZAKKBRPOMXFBH-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)c1nc([C@@H](C)N[C@@H](C)CCC[NH3+])cs1 ZINC000422908946 249127095 /nfs/dbraw/zinc/12/70/95/249127095.db2.gz DYAIQEDLHQBNJJ-WDEREUQCSA-N 1 3 255.431 3.045 20 0 CGADHO CCc1ccc(C(C)(C)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000469979305 249165086 /nfs/dbraw/zinc/16/50/86/249165086.db2.gz UVNNNWAHOIYSAS-HNNXBMFYSA-N 1 3 260.425 3.073 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000518514623 249281899 /nfs/dbraw/zinc/28/18/99/249281899.db2.gz BOIXXDZHCWPSCR-OUCADQQQSA-N 1 3 250.386 3.010 20 0 CGADHO Fc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CC2 ZINC000178410436 542197368 /nfs/dbraw/zinc/19/73/68/542197368.db2.gz UQSJYHHATAECHX-KRWDZBQOSA-N 1 3 276.399 3.279 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000251769698 377598747 /nfs/dbraw/zinc/59/87/47/377598747.db2.gz DZOLVKUBGKPJSX-DGADGQDISA-N 1 3 250.430 3.028 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000252696249 377651569 /nfs/dbraw/zinc/65/15/69/377651569.db2.gz XPNNCCJRQKSMAK-XYJFISCASA-N 1 3 272.436 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000252696249 377651575 /nfs/dbraw/zinc/65/15/75/377651575.db2.gz XPNNCCJRQKSMAK-XYJFISCASA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000574412859 377659376 /nfs/dbraw/zinc/65/93/76/377659376.db2.gz BXTXCRUJPBMQCP-CVEARBPZSA-N 1 3 260.425 3.014 20 0 CGADHO Cc1cc(C)c(CCN[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000574412859 377659386 /nfs/dbraw/zinc/65/93/86/377659386.db2.gz BXTXCRUJPBMQCP-CVEARBPZSA-N 1 3 260.425 3.014 20 0 CGADHO CC(C)Oc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252874266 377666850 /nfs/dbraw/zinc/66/68/50/377666850.db2.gz VBXSSWSUWOEOPH-SZMVWBNQSA-N 1 3 288.435 3.033 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@H]21 ZINC000252871159 377666957 /nfs/dbraw/zinc/66/69/57/377666957.db2.gz SSZRTQBEYQAYSZ-DDBAPUKQSA-N 1 3 270.420 3.123 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@H]21 ZINC000252871159 377666962 /nfs/dbraw/zinc/66/69/62/377666962.db2.gz SSZRTQBEYQAYSZ-DDBAPUKQSA-N 1 3 270.420 3.123 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1csc2ccccc12 ZINC000252889781 377669790 /nfs/dbraw/zinc/66/97/90/377669790.db2.gz FNUKAPAAFMPKKH-IUODEOHRSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1csc2ccccc12 ZINC000252889781 377669792 /nfs/dbraw/zinc/66/97/92/377669792.db2.gz FNUKAPAAFMPKKH-IUODEOHRSA-N 1 3 274.433 3.331 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000574801750 377710631 /nfs/dbraw/zinc/71/06/31/377710631.db2.gz MAKWLLUYFRCGLG-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000574801750 377710639 /nfs/dbraw/zinc/71/06/39/377710639.db2.gz MAKWLLUYFRCGLG-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000574801750 377710646 /nfs/dbraw/zinc/71/06/46/377710646.db2.gz MAKWLLUYFRCGLG-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO Cc1ccccc1[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261697505 377839705 /nfs/dbraw/zinc/83/97/05/377839705.db2.gz CDCJSDRFKKHJKS-DLBZAZTESA-N 1 3 258.409 3.132 20 0 CGADHO C[C@]1(CN2CC[C@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681802 377838709 /nfs/dbraw/zinc/83/87/09/377838709.db2.gz AHOMJCLNZLWRNG-RDJZCZTQSA-N 1 3 290.476 3.100 20 0 CGADHO COc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC000262405564 377896865 /nfs/dbraw/zinc/89/68/65/377896865.db2.gz CRBSJWLWMNDRKQ-GDBMZVCRSA-N 1 3 298.430 3.265 20 0 CGADHO C[C@H](C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261764451 377852038 /nfs/dbraw/zinc/85/20/38/377852038.db2.gz DFYDWBNIVBWPAU-AHRSYUTCSA-N 1 3 294.442 3.464 20 0 CGADHO C[C@H](C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261764451 377852046 /nfs/dbraw/zinc/85/20/46/377852046.db2.gz DFYDWBNIVBWPAU-AHRSYUTCSA-N 1 3 294.442 3.464 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000343622469 378044075 /nfs/dbraw/zinc/04/40/75/378044075.db2.gz VMXJYEMDWLPNJX-ZACQAIPSSA-N 1 3 264.457 3.300 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000578248047 378052077 /nfs/dbraw/zinc/05/20/77/378052077.db2.gz SAOGYLQMPFVLPB-RDBSUJKOSA-N 1 3 286.341 3.192 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC000577865457 378020126 /nfs/dbraw/zinc/02/01/26/378020126.db2.gz BJNQCNQXBZKLRP-QZTJIDSGSA-N 1 3 268.404 3.242 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc3ccccc3c2)C1 ZINC000577865457 378020130 /nfs/dbraw/zinc/02/01/30/378020130.db2.gz BJNQCNQXBZKLRP-QZTJIDSGSA-N 1 3 268.404 3.242 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H](N)C2)c(C)c1 ZINC000577964018 378026962 /nfs/dbraw/zinc/02/69/62/378026962.db2.gz WLQMCYTXXBNAEC-HOTGVXAUSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000577964018 378026966 /nfs/dbraw/zinc/02/69/66/378026966.db2.gz WLQMCYTXXBNAEC-HOTGVXAUSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944460 378115901 /nfs/dbraw/zinc/11/59/01/378115901.db2.gz CSQPQOXAJMRQFC-KBPBESRZSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944460 378115907 /nfs/dbraw/zinc/11/59/07/378115907.db2.gz CSQPQOXAJMRQFC-KBPBESRZSA-N 1 3 281.403 3.002 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccc(Cl)cc1 ZINC000579140795 378134400 /nfs/dbraw/zinc/13/44/00/378134400.db2.gz RHYGOMDBCDTOSV-LSDHHAIUSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000579140795 378134402 /nfs/dbraw/zinc/13/44/02/378134402.db2.gz RHYGOMDBCDTOSV-LSDHHAIUSA-N 1 3 280.843 3.477 20 0 CGADHO CC[N@H+](CCCc1cccc(F)c1)[C@@H]1CCCNCC1 ZINC000345193584 378219871 /nfs/dbraw/zinc/21/98/71/378219871.db2.gz WLLDVNIRYGSPJF-QGZVFWFLSA-N 1 3 278.415 3.222 20 0 CGADHO CC[N@@H+](CCCc1cccc(F)c1)[C@@H]1CCCNCC1 ZINC000345193584 378219878 /nfs/dbraw/zinc/21/98/78/378219878.db2.gz WLLDVNIRYGSPJF-QGZVFWFLSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@H](Cc1ccsc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000565282523 322071468 /nfs/dbraw/zinc/07/14/68/322071468.db2.gz AHOVZCFFRNKVDV-HIFRSBDPSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000565282523 322071470 /nfs/dbraw/zinc/07/14/70/322071470.db2.gz AHOVZCFFRNKVDV-HIFRSBDPSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000565282523 322071473 /nfs/dbraw/zinc/07/14/73/322071473.db2.gz AHOVZCFFRNKVDV-HIFRSBDPSA-N 1 3 266.454 3.095 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257492 378315303 /nfs/dbraw/zinc/31/53/03/378315303.db2.gz QFESTCXMWCCLFD-RBUKOAKNSA-N 1 3 295.430 3.498 20 0 CGADHO CCc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000583816927 378348323 /nfs/dbraw/zinc/34/83/23/378348323.db2.gz PXUVWGQRDXDLBK-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000583816927 378348324 /nfs/dbraw/zinc/34/83/24/378348324.db2.gz PXUVWGQRDXDLBK-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000583816927 378348328 /nfs/dbraw/zinc/34/83/28/378348328.db2.gz PXUVWGQRDXDLBK-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000583816927 378348331 /nfs/dbraw/zinc/34/83/31/378348331.db2.gz PXUVWGQRDXDLBK-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO C[N@H+]1CC=C(CNCc2cc(Cl)cc(Cl)c2)CC1 ZINC000271814281 378508130 /nfs/dbraw/zinc/50/81/30/378508130.db2.gz LMPRTXFLHBGYKE-UHFFFAOYSA-N 1 3 285.218 3.345 20 0 CGADHO C[N@@H+]1CC=C(CNCc2cc(Cl)cc(Cl)c2)CC1 ZINC000271814281 378508132 /nfs/dbraw/zinc/50/81/32/378508132.db2.gz LMPRTXFLHBGYKE-UHFFFAOYSA-N 1 3 285.218 3.345 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000271904038 378511959 /nfs/dbraw/zinc/51/19/59/378511959.db2.gz WDXPVUTWPDXBDD-GFCCVEGCSA-N 1 3 296.361 3.201 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000271904038 378511964 /nfs/dbraw/zinc/51/19/64/378511964.db2.gz WDXPVUTWPDXBDD-GFCCVEGCSA-N 1 3 296.361 3.201 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000346491429 378594656 /nfs/dbraw/zinc/59/46/56/378594656.db2.gz OEDZATCPGVDTKB-QAPCUYQASA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000346491429 378594660 /nfs/dbraw/zinc/59/46/60/378594660.db2.gz OEDZATCPGVDTKB-QAPCUYQASA-N 1 3 290.451 3.184 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc2cccnc12 ZINC000346817819 378691166 /nfs/dbraw/zinc/69/11/66/378691166.db2.gz GCNYRHJIEHCXSD-RCCFBDPRSA-N 1 3 295.430 3.102 20 0 CGADHO c1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346859632 378695026 /nfs/dbraw/zinc/69/50/26/378695026.db2.gz SXKINRPSUNMFFC-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346859632 378695031 /nfs/dbraw/zinc/69/50/31/378695031.db2.gz SXKINRPSUNMFFC-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904481 378695866 /nfs/dbraw/zinc/69/58/66/378695866.db2.gz LVVASDQMHIXZMY-ZWKOTPCHSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904481 378695868 /nfs/dbraw/zinc/69/58/68/378695868.db2.gz LVVASDQMHIXZMY-ZWKOTPCHSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2([NH2+][C@H]3CCN4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904481 378695872 /nfs/dbraw/zinc/69/58/72/378695872.db2.gz LVVASDQMHIXZMY-ZWKOTPCHSA-N 1 3 284.447 3.368 20 0 CGADHO Clc1ccc([C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990756 378703611 /nfs/dbraw/zinc/70/36/11/378703611.db2.gz SPXQCTCMXRLQAL-DZGCQCFKSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346990756 378703623 /nfs/dbraw/zinc/70/36/23/378703623.db2.gz SPXQCTCMXRLQAL-DZGCQCFKSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346990756 378703626 /nfs/dbraw/zinc/70/36/26/378703626.db2.gz SPXQCTCMXRLQAL-DZGCQCFKSA-N 1 3 278.827 3.129 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cccc(F)c1N ZINC000638366046 378779716 /nfs/dbraw/zinc/77/97/16/378779716.db2.gz KHAKQXFIWMLLCY-CQSZACIVSA-N 1 3 293.430 3.152 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cccc(F)c1N ZINC000638366046 378779720 /nfs/dbraw/zinc/77/97/20/378779720.db2.gz KHAKQXFIWMLLCY-CQSZACIVSA-N 1 3 293.430 3.152 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000638454122 378808121 /nfs/dbraw/zinc/80/81/21/378808121.db2.gz KFDJPNRUDBNBPX-CJNGLKHVSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000638454122 378808128 /nfs/dbraw/zinc/80/81/28/378808128.db2.gz KFDJPNRUDBNBPX-CJNGLKHVSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299940 378893466 /nfs/dbraw/zinc/89/34/66/378893466.db2.gz HEBQGBHCWXNVFF-DTZQCDIJSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299940 378893474 /nfs/dbraw/zinc/89/34/74/378893474.db2.gz HEBQGBHCWXNVFF-DTZQCDIJSA-N 1 3 294.389 3.283 20 0 CGADHO CC1=C(C)C[C@H]([C@H](C)[NH2+]CC2=CCN(C)CC2)CC1 ZINC000638839037 378931852 /nfs/dbraw/zinc/93/18/52/378931852.db2.gz VJSBUZRZAYFXNV-DOTOQJQBSA-N 1 3 262.441 3.363 20 0 CGADHO CCCCOc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347031695 218099290 /nfs/dbraw/zinc/09/92/90/218099290.db2.gz AJQLTZRBCOSQGX-OAHLLOKOSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111398 218125291 /nfs/dbraw/zinc/12/52/91/218125291.db2.gz QDOISWDHDLMHFB-BEFAXECRSA-N 1 3 295.430 3.450 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111398 218125293 /nfs/dbraw/zinc/12/52/93/218125293.db2.gz QDOISWDHDLMHFB-BEFAXECRSA-N 1 3 295.430 3.450 20 0 CGADHO COc1cc(C)c([C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000639081902 379006310 /nfs/dbraw/zinc/00/63/10/379006310.db2.gz WCPCZGKDMPXYAF-HZPDHXFCSA-N 1 3 290.451 3.257 20 0 CGADHO COc1cc(C)c([C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000639081902 379006314 /nfs/dbraw/zinc/00/63/14/379006314.db2.gz WCPCZGKDMPXYAF-HZPDHXFCSA-N 1 3 290.451 3.257 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]CCC[C@@H]1CCO1 ZINC000639064309 378998491 /nfs/dbraw/zinc/99/84/91/378998491.db2.gz AEBPDVAHDLMZKZ-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000277159490 379085344 /nfs/dbraw/zinc/08/53/44/379085344.db2.gz KBJFTRVSLKOCJI-SJLPKXTDSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000277159490 379085347 /nfs/dbraw/zinc/08/53/47/379085347.db2.gz KBJFTRVSLKOCJI-SJLPKXTDSA-N 1 3 272.436 3.480 20 0 CGADHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCCc3ccccc32)CC1 ZINC000277159490 379085351 /nfs/dbraw/zinc/08/53/51/379085351.db2.gz KBJFTRVSLKOCJI-SJLPKXTDSA-N 1 3 272.436 3.480 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cccc(Cl)c2Cl)C1 ZINC000568248544 322200668 /nfs/dbraw/zinc/20/06/68/322200668.db2.gz UIDCFEPGOSEPSE-VXGBXAGGSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC000568248544 322200669 /nfs/dbraw/zinc/20/06/69/322200669.db2.gz UIDCFEPGOSEPSE-VXGBXAGGSA-N 1 3 287.234 3.395 20 0 CGADHO CCN(CCCc1cnccc1C)CCC[NH+]1CCCC1 ZINC000349344670 379240267 /nfs/dbraw/zinc/24/02/67/379240267.db2.gz IKOPTXYQUPUDIR-UHFFFAOYSA-N 1 3 289.467 3.130 20 0 CGADHO C[C@@H](CCc1ccco1)NC1CC([NH+]2CCCCC2)C1 ZINC000373466058 379283485 /nfs/dbraw/zinc/28/34/85/379283485.db2.gz NEUVZLWPYOMYNZ-FHERZECASA-N 1 3 276.424 3.207 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccsc2)CC1 ZINC000350184105 379526995 /nfs/dbraw/zinc/52/69/95/379526995.db2.gz LXMQGBDLAXYTKM-UHFFFAOYSA-N 1 3 266.454 3.302 20 0 CGADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000378546411 379838569 /nfs/dbraw/zinc/83/85/69/379838569.db2.gz DWJJNEWHNJCNNM-DOTOQJQBSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(OCC(F)F)cc1 ZINC000352540011 379848414 /nfs/dbraw/zinc/84/84/14/379848414.db2.gz GCDIKKWAIFCLDM-AWEZNQCLSA-N 1 3 298.377 3.034 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000282121590 379858167 /nfs/dbraw/zinc/85/81/67/379858167.db2.gz JOBJRTICUDGOBY-ROUUACIJSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1ncsc1CCN(C)CCCC[NH+]1CCCCC1 ZINC000640532365 379820624 /nfs/dbraw/zinc/82/06/24/379820624.db2.gz YGWKEAXMQDPEIN-UHFFFAOYSA-N 1 3 295.496 3.192 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](CC)c2ccc(F)cn2)CC1 ZINC000352685409 379908059 /nfs/dbraw/zinc/90/80/59/379908059.db2.gz TXCYVRJSYUEHSD-MRXNPFEDSA-N 1 3 293.430 3.383 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652946 379962637 /nfs/dbraw/zinc/96/26/37/379962637.db2.gz MAIAMBANEUQYPP-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(F)ccc1OC ZINC000267974619 190366696 /nfs/dbraw/zinc/36/66/96/190366696.db2.gz NNJSTIQVDWAMSU-AWEZNQCLSA-N 1 3 296.430 3.434 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000410414898 380092852 /nfs/dbraw/zinc/09/28/52/380092852.db2.gz TVMLINGNGFSGBP-HRCADAONSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000410414898 380092861 /nfs/dbraw/zinc/09/28/61/380092861.db2.gz TVMLINGNGFSGBP-HRCADAONSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805271 380113045 /nfs/dbraw/zinc/11/30/45/380113045.db2.gz FIGZLTHQYPQICT-GRYCIOLGSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805271 380113050 /nfs/dbraw/zinc/11/30/50/380113050.db2.gz FIGZLTHQYPQICT-GRYCIOLGSA-N 1 3 266.351 3.167 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@H]3CC[NH2+][C@H]3C2)c1C ZINC000643031775 380204799 /nfs/dbraw/zinc/20/47/99/380204799.db2.gz XXKQRPBPZSMONU-PBHICJAKSA-N 1 3 281.403 3.040 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643031861 380205751 /nfs/dbraw/zinc/20/57/51/380205751.db2.gz YNSOGFLBGRVXOP-YJBOKZPZSA-N 1 3 295.430 3.376 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CCC[C@@H]1C1CC1 ZINC000414184456 380199902 /nfs/dbraw/zinc/19/99/02/380199902.db2.gz FUUVJKXYVHILKC-QBPKDAKJSA-N 1 3 262.441 3.029 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000643503387 380326207 /nfs/dbraw/zinc/32/62/07/380326207.db2.gz KVAKXVJMMXGIJF-BFHYXJOUSA-N 1 3 266.454 3.047 20 0 CGADHO CC(C)NCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000643508437 380332048 /nfs/dbraw/zinc/33/20/48/380332048.db2.gz JNGHFQWMTTXMAT-GFCCVEGCSA-N 1 3 262.388 3.178 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463536 380312232 /nfs/dbraw/zinc/31/22/32/380312232.db2.gz CFCBXGVVTQCQSK-NVXWUHKLSA-N 1 3 274.452 3.332 20 0 CGADHO CC(C)CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643548658 380365779 /nfs/dbraw/zinc/36/57/79/380365779.db2.gz SSNPNJAETSGUPE-JKSUJKDBSA-N 1 3 264.457 3.466 20 0 CGADHO CCN1CC[C@H]([N@H+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221592 380368171 /nfs/dbraw/zinc/36/81/71/380368171.db2.gz HLEZUBNKZSXNBW-HOCLYGCPSA-N 1 3 294.414 3.009 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221592 380368177 /nfs/dbraw/zinc/36/81/77/380368177.db2.gz HLEZUBNKZSXNBW-HOCLYGCPSA-N 1 3 294.414 3.009 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643522980 380339184 /nfs/dbraw/zinc/33/91/84/380339184.db2.gz RTWQHXRXPIOSMM-BZUAXINKSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643533698 380348247 /nfs/dbraw/zinc/34/82/47/380348247.db2.gz BUOJEJLIGFZFFP-GJZGRUSLSA-N 1 3 280.362 3.148 20 0 CGADHO CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643533700 380348328 /nfs/dbraw/zinc/34/83/28/380348328.db2.gz BUOJEJLIGFZFFP-LSDHHAIUSA-N 1 3 280.362 3.148 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546123 380359553 /nfs/dbraw/zinc/35/95/53/380359553.db2.gz IUXFULBNWWUSMW-JYJNAYRXSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546442 380359817 /nfs/dbraw/zinc/35/98/17/380359817.db2.gz OXPDTIKRYBLKBR-LJISPDSOSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547165 380361492 /nfs/dbraw/zinc/36/14/92/380361492.db2.gz AJXYMHWOFPMAIF-ZJIFWQFVSA-N 1 3 264.457 3.466 20 0 CGADHO CSc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414814613 380426408 /nfs/dbraw/zinc/42/64/08/380426408.db2.gz ZKTPRIQUXIBSDP-DZGCQCFKSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826102 380435713 /nfs/dbraw/zinc/43/57/13/380435713.db2.gz ILZHFAIBFKKJDI-LELATDSJSA-N 1 3 258.409 3.051 20 0 CGADHO c1ccc(C[C@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414825787 380436539 /nfs/dbraw/zinc/43/65/39/380436539.db2.gz HRENDSIOMQCVFB-BSLJZLGVSA-N 1 3 284.447 3.270 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414827853 380437821 /nfs/dbraw/zinc/43/78/21/380437821.db2.gz YOPIINFBNIINCR-UAGQMJEPSA-N 1 3 260.425 3.115 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830128 380437856 /nfs/dbraw/zinc/43/78/56/380437856.db2.gz APYOXDFYMMKBGM-VXGBXAGGSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830128 380437864 /nfs/dbraw/zinc/43/78/64/380437864.db2.gz APYOXDFYMMKBGM-VXGBXAGGSA-N 1 3 288.357 3.082 20 0 CGADHO CCC[C@@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000414834506 380441753 /nfs/dbraw/zinc/44/17/53/380441753.db2.gz SJINIAAQHLKHBH-WBVHZDCISA-N 1 3 260.425 3.160 20 0 CGADHO [NH3+]C1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CCCCC1 ZINC000414838602 380445195 /nfs/dbraw/zinc/44/51/95/380445195.db2.gz IJHLAAOPNBLKJS-OAHLLOKOSA-N 1 3 278.827 3.058 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)NCC1([NH3+])CCCCC1 ZINC000414846505 380451762 /nfs/dbraw/zinc/45/17/62/380451762.db2.gz STPPGBQKYRKSJX-ZDUSSCGKSA-N 1 3 264.388 3.008 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000414850593 380453172 /nfs/dbraw/zinc/45/31/72/380453172.db2.gz ZHRUVCZTOHESKJ-MNOVXSKESA-N 1 3 274.861 3.168 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414850593 380453177 /nfs/dbraw/zinc/45/31/77/380453177.db2.gz ZHRUVCZTOHESKJ-MNOVXSKESA-N 1 3 274.861 3.168 20 0 CGADHO Clc1csc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774719 380399056 /nfs/dbraw/zinc/39/90/56/380399056.db2.gz FUXSQKPBOKTXLS-NEPJUHHUSA-N 1 3 284.856 3.223 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000414795890 380410685 /nfs/dbraw/zinc/41/06/85/380410685.db2.gz XNVVPTRYAVUMRV-WMZOPIPTSA-N 1 3 272.436 3.445 20 0 CGADHO C1CCC([C@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)CC1 ZINC000414795819 380410952 /nfs/dbraw/zinc/41/09/52/380410952.db2.gz XEICXASKHRIXGQ-SJORKVTESA-N 1 3 264.457 3.467 20 0 CGADHO Cc1ccc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])ccc2n1 ZINC000414796832 380411188 /nfs/dbraw/zinc/41/11/88/380411188.db2.gz IBQLJRONADAEON-IRXDYDNUSA-N 1 3 283.419 3.150 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414806761 380419701 /nfs/dbraw/zinc/41/97/01/380419701.db2.gz QHEMRAFQFUZVPV-KBPBESRZSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414922644 380489870 /nfs/dbraw/zinc/48/98/70/380489870.db2.gz GHBKEFHHURDULY-LAVFITLUSA-N 1 3 272.436 3.084 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414923570 380491522 /nfs/dbraw/zinc/49/15/22/380491522.db2.gz INGKHBXLNOESLO-HZPDHXFCSA-N 1 3 276.424 3.081 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000414926866 380492365 /nfs/dbraw/zinc/49/23/65/380492365.db2.gz NXTHHUYQMMLDRD-QWHCGFSZSA-N 1 3 252.789 3.008 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414936738 380495231 /nfs/dbraw/zinc/49/52/31/380495231.db2.gz ZJWWMSPBJYCGCV-DZJNRPSUSA-N 1 3 272.436 3.300 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@H]2CCNCC2(C)C)cc1C ZINC000414976931 380504014 /nfs/dbraw/zinc/50/40/14/380504014.db2.gz QTWFZAMJMCNTNS-INIZCTEOSA-N 1 3 260.425 3.090 20 0 CGADHO CCN(Cc1cccn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289436347 197346587 /nfs/dbraw/zinc/34/65/87/197346587.db2.gz LLPBQLSWCUZYKE-UHFFFAOYSA-N 1 3 285.435 3.109 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000415090572 380507634 /nfs/dbraw/zinc/50/76/34/380507634.db2.gz YAZYZHBTZTVUAS-VYDXJSESSA-N 1 3 274.452 3.473 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414874814 380470689 /nfs/dbraw/zinc/47/06/89/380470689.db2.gz ZJWWMSPBJYCGCV-DKIMLUQUSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314368 380591698 /nfs/dbraw/zinc/59/16/98/380591698.db2.gz YXECWNBBHHWVCO-VHDGCEQUSA-N 1 3 276.449 3.092 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(OCCN(C)C)cc1 ZINC000417344295 380599216 /nfs/dbraw/zinc/59/92/16/380599216.db2.gz VUKDPXCJGXZHAK-GDBMZVCRSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc(CNCCCCC[NH+]2CCCC2)c1F ZINC000645199449 380612754 /nfs/dbraw/zinc/61/27/54/380612754.db2.gz AEYIYSFBHLDEKU-UHFFFAOYSA-N 1 3 294.414 3.190 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358812 380894400 /nfs/dbraw/zinc/89/44/00/380894400.db2.gz UYCSFCDGGHWBMC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358812 380894403 /nfs/dbraw/zinc/89/44/03/380894403.db2.gz UYCSFCDGGHWBMC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358812 380894407 /nfs/dbraw/zinc/89/44/07/380894407.db2.gz UYCSFCDGGHWBMC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358812 380894411 /nfs/dbraw/zinc/89/44/11/380894411.db2.gz UYCSFCDGGHWBMC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO C(C[C@@H]1CCCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000356914997 380938085 /nfs/dbraw/zinc/93/80/85/380938085.db2.gz IINCROZSCQMKGV-SFHVURJKSA-N 1 3 294.483 3.332 20 0 CGADHO FCCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361530797 381788835 /nfs/dbraw/zinc/78/88/35/381788835.db2.gz LLFXMQMGVPXGCI-SFHVURJKSA-N 1 3 290.426 3.334 20 0 CGADHO FCCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361530797 381788836 /nfs/dbraw/zinc/78/88/36/381788836.db2.gz LLFXMQMGVPXGCI-SFHVURJKSA-N 1 3 290.426 3.334 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc3ncsc3c2)CC1 ZINC000362513263 382029145 /nfs/dbraw/zinc/02/91/45/382029145.db2.gz UQTCJWVKZXMBIX-GFCCVEGCSA-N 1 3 289.448 3.431 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]21 ZINC000230126135 542302812 /nfs/dbraw/zinc/30/28/12/542302812.db2.gz AKRZLXYDSFENEK-SOUVJXGZSA-N 1 3 280.362 3.183 20 0 CGADHO CC[C@@H]1CN(CCCOc2cc(C)cc(C)c2)CC[C@H]1[NH3+] ZINC000251526924 542346580 /nfs/dbraw/zinc/34/65/80/542346580.db2.gz AENITTUPISQXLI-SJLPKXTDSA-N 1 3 290.451 3.132 20 0 CGADHO COc1ccc([C@H](C)NC[C@@H](C)C[NH3+])c2ccccc12 ZINC000423297636 533169952 /nfs/dbraw/zinc/16/99/52/533169952.db2.gz LCNGJEIGHNKSKK-STQMWFEESA-N 1 3 272.392 3.094 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN)c2ccccc12 ZINC000423297636 533169963 /nfs/dbraw/zinc/16/99/63/533169963.db2.gz LCNGJEIGHNKSKK-STQMWFEESA-N 1 3 272.392 3.094 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc2cnccc2c1)CN1CCCCC1 ZINC000319014654 542439727 /nfs/dbraw/zinc/43/97/27/542439727.db2.gz CBTKASMNDCWXSR-MRXNPFEDSA-N 1 3 297.446 3.446 20 0 CGADHO C[C@H](CCN1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000348271792 542517694 /nfs/dbraw/zinc/51/76/94/542517694.db2.gz AHVMVHXJNGSILQ-MRXNPFEDSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000348271792 542517698 /nfs/dbraw/zinc/51/76/98/542517698.db2.gz AHVMVHXJNGSILQ-MRXNPFEDSA-N 1 3 252.446 3.229 20 0 CGADHO COCCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449061789 533290226 /nfs/dbraw/zinc/29/02/26/533290226.db2.gz HHDDGNIWXQLPCR-UHFFFAOYSA-N 1 3 284.488 3.292 20 0 CGADHO COc1ccc2cc([C@@H](C)NC[C@H](C)C[NH3+])ccc2c1 ZINC000423295567 533336347 /nfs/dbraw/zinc/33/63/47/533336347.db2.gz FFWUNMIJEBZULW-CHWSQXEVSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccccc1C(F)(F)F ZINC000423322390 533360947 /nfs/dbraw/zinc/36/09/47/533360947.db2.gz IINQLAAUTUPAGB-SNVBAGLBSA-N 1 3 272.314 3.237 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423260122 533402184 /nfs/dbraw/zinc/40/21/84/533402184.db2.gz PNWLQDGYNHNPKU-VXGBXAGGSA-N 1 3 268.351 3.005 20 0 CGADHO COc1ccc(C)cc1[C@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423431313 533417265 /nfs/dbraw/zinc/41/72/65/533417265.db2.gz ITYJHKPCWZNKLJ-RRQGHBQHSA-N 1 3 288.435 3.042 20 0 CGADHO COc1cccc(C[C@@H](NC[C@H](C)C[NH3+])c2ccccc2)c1 ZINC000423296199 533541229 /nfs/dbraw/zinc/54/12/29/533541229.db2.gz GILCUOYTNGWHSE-DNVCBOLYSA-N 1 3 298.430 3.163 20 0 CGADHO CC(C)(CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133074 542628045 /nfs/dbraw/zinc/62/80/45/542628045.db2.gz XYEZSWHVRZOERN-GDBMZVCRSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414926195 542640152 /nfs/dbraw/zinc/64/01/52/542640152.db2.gz MXBANLCPQACDKJ-QWHCGFSZSA-N 1 3 297.240 3.117 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000414930118 542641037 /nfs/dbraw/zinc/64/10/37/542641037.db2.gz SLRYUHQFGJIGDX-BRWVUGGUSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414931717 542641067 /nfs/dbraw/zinc/64/10/67/542641067.db2.gz UWNOOUBBBFKRMX-VHDGCEQUSA-N 1 3 264.388 3.006 20 0 CGADHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc12 ZINC000414921815 542641355 /nfs/dbraw/zinc/64/13/55/542641355.db2.gz FZOHLCKKOCEXAD-LSDHHAIUSA-N 1 3 284.403 3.208 20 0 CGADHO C[C@H](NCC(C)(C)c1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000423008823 542647101 /nfs/dbraw/zinc/64/71/01/542647101.db2.gz BDTRYTZIIXWSLD-AWEZNQCLSA-N 1 3 288.479 3.459 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)c1ccc(C(C)(C)C)cc1)C1CNC1 ZINC000423008823 542647102 /nfs/dbraw/zinc/64/71/02/542647102.db2.gz BDTRYTZIIXWSLD-AWEZNQCLSA-N 1 3 288.479 3.459 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)C12CCC2 ZINC000087708667 392225990 /nfs/dbraw/zinc/22/59/90/392225990.db2.gz HPVBCDSJWYEWFU-GVDBMIGSSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000087708667 392225994 /nfs/dbraw/zinc/22/59/94/392225994.db2.gz HPVBCDSJWYEWFU-GVDBMIGSSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000087708667 392225996 /nfs/dbraw/zinc/22/59/96/392225996.db2.gz HPVBCDSJWYEWFU-GVDBMIGSSA-N 1 3 294.483 3.188 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000281944265 392260083 /nfs/dbraw/zinc/26/00/83/392260083.db2.gz AFPFPNCYRRTXPX-MRXNPFEDSA-N 1 3 258.409 3.171 20 0 CGADHO CCS[C@@H]1CC[C@@H](N(C)CCC[NH+]2CCCCC2)C1 ZINC000361260448 392269651 /nfs/dbraw/zinc/26/96/51/392269651.db2.gz BXWZYTWOTHKUHJ-HZPDHXFCSA-N 1 3 284.513 3.468 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]CC2(C)CCC2)C1 ZINC000434764435 542655906 /nfs/dbraw/zinc/65/59/06/542655906.db2.gz OHBJZMIUJLVGLF-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000246858352 131098261 /nfs/dbraw/zinc/09/82/61/131098261.db2.gz CKADZIAHNRZWTG-RYRKJORJSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000246858352 131098264 /nfs/dbraw/zinc/09/82/64/131098264.db2.gz CKADZIAHNRZWTG-RYRKJORJSA-N 1 3 290.451 3.082 20 0 CGADHO CCN1CC[C@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250193337 131125485 /nfs/dbraw/zinc/12/54/85/131125485.db2.gz ANUWTPZFQAGCAC-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251151775 131128187 /nfs/dbraw/zinc/12/81/87/131128187.db2.gz HXMLXLXGTLRYRP-JQHSSLGASA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251151775 131128189 /nfs/dbraw/zinc/12/81/89/131128189.db2.gz HXMLXLXGTLRYRP-JQHSSLGASA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000126541752 392442909 /nfs/dbraw/zinc/44/29/09/392442909.db2.gz GUCGDTRULUMNKI-RDTXWAMCSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126541752 392442910 /nfs/dbraw/zinc/44/29/10/392442910.db2.gz GUCGDTRULUMNKI-RDTXWAMCSA-N 1 3 270.420 3.056 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccsc1 ZINC000294188055 392534313 /nfs/dbraw/zinc/53/43/13/392534313.db2.gz FMXBVAHAPOMZEE-AWEZNQCLSA-N 1 3 252.427 3.275 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc(-c2ccccn2)c1)CN(C)C ZINC000291636309 392474413 /nfs/dbraw/zinc/47/44/13/392474413.db2.gz AYHUXMXAVGTPAZ-HNNXBMFYSA-N 1 3 283.419 3.036 20 0 CGADHO Cc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000302555019 392616608 /nfs/dbraw/zinc/61/66/08/392616608.db2.gz JKTMPFPUKSRMHD-IRXDYDNUSA-N 1 3 287.451 3.481 20 0 CGADHO Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000302555019 392616614 /nfs/dbraw/zinc/61/66/14/392616614.db2.gz JKTMPFPUKSRMHD-IRXDYDNUSA-N 1 3 287.451 3.481 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccccc1Br ZINC000309420922 392656268 /nfs/dbraw/zinc/65/62/68/392656268.db2.gz LIRGWVKJGCXKAV-QWRGUYRKSA-N 1 3 285.229 3.227 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCC(C)([NH3+])CC2)C1 ZINC000647530849 392751876 /nfs/dbraw/zinc/75/18/76/392751876.db2.gz KTJXSPAZNIYISP-SJORKVTESA-N 1 3 272.436 3.310 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000647530849 392751882 /nfs/dbraw/zinc/75/18/82/392751882.db2.gz KTJXSPAZNIYISP-SJORKVTESA-N 1 3 272.436 3.310 20 0 CGADHO Fc1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542836 392759751 /nfs/dbraw/zinc/75/97/51/392759751.db2.gz COKGDFHPNRDVOW-JKSUJKDBSA-N 1 3 276.399 3.037 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)[C@H](C)C2 ZINC000180095298 392707752 /nfs/dbraw/zinc/70/77/52/392707752.db2.gz WIORRIUXJWBBHJ-ZRGWGRIASA-N 1 3 284.447 3.302 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)[C@H](C)C2 ZINC000180095298 392707756 /nfs/dbraw/zinc/70/77/56/392707756.db2.gz WIORRIUXJWBBHJ-ZRGWGRIASA-N 1 3 284.447 3.302 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800583 392801314 /nfs/dbraw/zinc/80/13/14/392801314.db2.gz GFDYFVSJRSKUMC-VVFCZOMOSA-N 1 3 295.430 3.303 20 0 CGADHO C[C@H](NCCCC1CC[NH2+]CC1)c1cccc(F)c1F ZINC000647802445 392803276 /nfs/dbraw/zinc/80/32/76/392803276.db2.gz LYRSWQUPQZSOLE-LBPRGKRZSA-N 1 3 282.378 3.395 20 0 CGADHO Cc1ccccc1CCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814899 392808132 /nfs/dbraw/zinc/80/81/32/392808132.db2.gz KFWCAKISPVFSHH-UHFFFAOYSA-N 1 3 272.436 3.144 20 0 CGADHO CCCCN(C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000647886813 392826234 /nfs/dbraw/zinc/82/62/34/392826234.db2.gz XMWYQYCEULDDKY-HZPDHXFCSA-N 1 3 260.425 3.459 20 0 CGADHO Cc1ccc([C@@H]2[C@H](C)CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886668 392826696 /nfs/dbraw/zinc/82/66/96/392826696.db2.gz GXBQLOJLVYCIJK-RYRKJORJSA-N 1 3 272.436 3.378 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000191638565 392832593 /nfs/dbraw/zinc/83/25/93/392832593.db2.gz KSXXBAXRXBMZIU-MPTYRVRUSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000191638565 392832598 /nfs/dbraw/zinc/83/25/98/392832598.db2.gz KSXXBAXRXBMZIU-MPTYRVRUSA-N 1 3 282.472 3.043 20 0 CGADHO FC1(F)CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000336797372 392869249 /nfs/dbraw/zinc/86/92/49/392869249.db2.gz ZQSMOVOURQWKFU-IHRRRGAJSA-N 1 3 272.383 3.028 20 0 CGADHO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccc2n1 ZINC000338749203 392926671 /nfs/dbraw/zinc/92/66/71/392926671.db2.gz YKPQZQZGTAVFES-LJQANCHMSA-N 1 3 295.430 3.465 20 0 CGADHO Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c2ccccc2n1 ZINC000338749203 392926677 /nfs/dbraw/zinc/92/66/77/392926677.db2.gz YKPQZQZGTAVFES-LJQANCHMSA-N 1 3 295.430 3.465 20 0 CGADHO CC(C)C1CCC(C[NH2+]CC2=CCN(C)CC2)CC1 ZINC000392188663 392930571 /nfs/dbraw/zinc/93/05/71/392930571.db2.gz JDYGMTMCWIYHPE-UHFFFAOYSA-N 1 3 264.457 3.300 20 0 CGADHO CC[C@H]1CCC[C@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571536 392938379 /nfs/dbraw/zinc/93/83/79/392938379.db2.gz PEXWXWJZSBZFJA-UIJGJVKASA-N 1 3 264.457 3.418 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000219870002 393002204 /nfs/dbraw/zinc/00/22/04/393002204.db2.gz SBBYPFXEFWEEFX-GFCCVEGCSA-N 1 3 266.816 3.208 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414996342 393084160 /nfs/dbraw/zinc/08/41/60/393084160.db2.gz XPDYTFPPIFVKCQ-BXUZGUMPSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H](C[N@H+](C)CCCN1CCCC1)c1ccc(F)cc1 ZINC000467520116 393103920 /nfs/dbraw/zinc/10/39/20/393103920.db2.gz HJSJGEYKEMYQLC-HNNXBMFYSA-N 1 3 278.415 3.347 20 0 CGADHO C[C@@H](C[N@@H+](C)CCCN1CCCC1)c1ccc(F)cc1 ZINC000467520116 393103924 /nfs/dbraw/zinc/10/39/24/393103924.db2.gz HJSJGEYKEMYQLC-HNNXBMFYSA-N 1 3 278.415 3.347 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3ccccc3)n2)C1 ZINC000415031487 393104619 /nfs/dbraw/zinc/10/46/19/393104619.db2.gz GWATZLGHUZZDLB-TZMCWYRMSA-N 1 3 287.432 3.027 20 0 CGADHO CC(C)[C@H]([NH3+])CNCCCc1c(Cl)cccc1Cl ZINC000414791622 393054040 /nfs/dbraw/zinc/05/40/40/393054040.db2.gz IAHOIBRNGPKLQL-CQSZACIVSA-N 1 3 289.250 3.499 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414827854 393054180 /nfs/dbraw/zinc/05/41/80/393054180.db2.gz YOPIINFBNIINCR-USXIJHARSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748078 393054466 /nfs/dbraw/zinc/05/44/66/393054466.db2.gz VYHZZGIQXNABNF-CHWSQXEVSA-N 1 3 278.827 3.086 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414950495 393057727 /nfs/dbraw/zinc/05/77/27/393057727.db2.gz OQLLUBUNBRHTJI-UGUYLWEFSA-N 1 3 252.446 3.321 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000414952078 393060653 /nfs/dbraw/zinc/06/06/53/393060653.db2.gz QLSZZOCPWKQYBL-RANZSIQMSA-N 1 3 272.436 3.361 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC000414950983 393061263 /nfs/dbraw/zinc/06/12/63/393061263.db2.gz PIKWKQPXWTXIGX-BZZMCLGOSA-N 1 3 272.436 3.128 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414978192 393077834 /nfs/dbraw/zinc/07/78/34/393077834.db2.gz SMGYQCASZFDRNY-QGZVFWFLSA-N 1 3 268.404 3.318 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414983369 393078646 /nfs/dbraw/zinc/07/86/46/393078646.db2.gz ZNUDVOGWKSQTAY-GOSISDBHSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCNCC2(C)C)C1 ZINC000414982656 393079454 /nfs/dbraw/zinc/07/94/54/393079454.db2.gz YSAWFEFNUQCFNN-AOIWGVFYSA-N 1 3 286.463 3.475 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC(C)(C)C1 ZINC000252674099 393126039 /nfs/dbraw/zinc/12/60/39/393126039.db2.gz OSJKIPMXQHZNPH-WCVJEAGWSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000415077124 393132093 /nfs/dbraw/zinc/13/20/93/393132093.db2.gz DVRXMDBUBOWCSN-OWCLPIDISA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)COc1ccc(C(C)(C)CNCC(C)(C)[NH3+])cc1 ZINC000415079209 393132343 /nfs/dbraw/zinc/13/23/43/393132343.db2.gz JPVPBCGIRQVRID-UHFFFAOYSA-N 1 3 292.467 3.326 20 0 CGADHO Clc1cc(Cl)cc(CCN[C@H]2CCC[NH2+]CC2)c1 ZINC000415082553 393136653 /nfs/dbraw/zinc/13/66/53/393136653.db2.gz LYBSYFQRLQLMHA-AWEZNQCLSA-N 1 3 287.234 3.268 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000415082089 393137079 /nfs/dbraw/zinc/13/70/79/393137079.db2.gz LGEVOMQBDCAHJI-XHDPSFHLSA-N 1 3 266.816 3.290 20 0 CGADHO CCc1ccc(C(C)(C)CNC[C@]2(C)CC[NH2+]C2)cc1 ZINC000415085103 393138395 /nfs/dbraw/zinc/13/83/95/393138395.db2.gz QHAOKJICIFECTM-GOSISDBHSA-N 1 3 274.452 3.116 20 0 CGADHO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000262032224 393145032 /nfs/dbraw/zinc/14/50/32/393145032.db2.gz XHTFJWFREQSMPF-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000262032224 393145035 /nfs/dbraw/zinc/14/50/35/393145035.db2.gz XHTFJWFREQSMPF-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)NC1CC[NH2+]CC1 ZINC000415113802 393148656 /nfs/dbraw/zinc/14/86/56/393148656.db2.gz SOTIZKNCBBYGIH-KRWDZBQOSA-N 1 3 260.425 3.424 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]C1CCNCC1 ZINC000415113802 393148662 /nfs/dbraw/zinc/14/86/62/393148662.db2.gz SOTIZKNCBBYGIH-KRWDZBQOSA-N 1 3 260.425 3.424 20 0 CGADHO c1cc(N2CCN(CCC3=CCCCC3)CC2)cc[nH+]1 ZINC000649351930 393403518 /nfs/dbraw/zinc/40/35/18/393403518.db2.gz VIFRKHYPUMZRNH-UHFFFAOYSA-N 1 3 271.408 3.094 20 0 CGADHO Cc1c2ccccc2oc1[C@@H](NCCOCC[NH3+])C(C)C ZINC000420399789 393482682 /nfs/dbraw/zinc/48/26/82/393482682.db2.gz IDIZEXUTCSGYIA-INIZCTEOSA-N 1 3 290.407 3.003 20 0 CGADHO C[C@H](N)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322238 393465257 /nfs/dbraw/zinc/46/52/57/393465257.db2.gz SGLKPQBPMIOHOO-AWEZNQCLSA-N 1 3 254.377 3.133 20 0 CGADHO C[C@H](N)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322238 393465262 /nfs/dbraw/zinc/46/52/62/393465262.db2.gz SGLKPQBPMIOHOO-AWEZNQCLSA-N 1 3 254.377 3.133 20 0 CGADHO CCc1nc(C)c([C@H](C)N(C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420321355 393465401 /nfs/dbraw/zinc/46/54/01/393465401.db2.gz RAYPCWZHQUFNDE-KBPBESRZSA-N 1 3 295.496 3.396 20 0 CGADHO CC[C@H](c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359007 393472530 /nfs/dbraw/zinc/47/25/30/393472530.db2.gz FLNSRQXOBNQKLS-SJORKVTESA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@@H](CC2CCC2)NC[C@H]2CC[NH2+]C2)cc1 ZINC000420421331 393486901 /nfs/dbraw/zinc/48/69/01/393486901.db2.gz YRTXTIBJEBUWEU-DOTOQJQBSA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc(CSCC[NH2+]CCCN2CCCCC2)cc1 ZINC000430751634 393593179 /nfs/dbraw/zinc/59/31/79/393593179.db2.gz YABLGDJLPFWCIE-UHFFFAOYSA-N 1 3 292.492 3.385 20 0 CGADHO c1ccc(CSCCNCCC[NH+]2CCCCC2)cc1 ZINC000430751634 393593183 /nfs/dbraw/zinc/59/31/83/393593183.db2.gz YABLGDJLPFWCIE-UHFFFAOYSA-N 1 3 292.492 3.385 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000430753989 393593311 /nfs/dbraw/zinc/59/33/11/393593311.db2.gz KQUXALAEQXMVKO-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000430753989 393593314 /nfs/dbraw/zinc/59/33/14/393593314.db2.gz KQUXALAEQXMVKO-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO CC[N@H+]1CCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000430753989 393593318 /nfs/dbraw/zinc/59/33/18/393593318.db2.gz KQUXALAEQXMVKO-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC[C@H]1CCCCN1C ZINC000348267616 289006694 /nfs/dbraw/zinc/00/66/94/289006694.db2.gz BNHHAFAVTWVWPP-JHJVBQTASA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCCCN1C ZINC000348267616 289006695 /nfs/dbraw/zinc/00/66/95/289006695.db2.gz BNHHAFAVTWVWPP-JHJVBQTASA-N 1 3 278.362 3.134 20 0 CGADHO C[N@H+](CCCOc1cccc2ccccc21)C1CCNCC1 ZINC000430616113 393581604 /nfs/dbraw/zinc/58/16/04/393581604.db2.gz DRWFNTMCESAYAI-UHFFFAOYSA-N 1 3 298.430 3.293 20 0 CGADHO C[N@@H+](CCCOc1cccc2ccccc21)C1CCNCC1 ZINC000430616113 393581612 /nfs/dbraw/zinc/58/16/12/393581612.db2.gz DRWFNTMCESAYAI-UHFFFAOYSA-N 1 3 298.430 3.293 20 0 CGADHO CC[NH+]1CCC(N(C)CCSCc2ccccc2)CC1 ZINC000430725933 393590599 /nfs/dbraw/zinc/59/05/99/393590599.db2.gz YUIOLQOZHXSOOM-UHFFFAOYSA-N 1 3 292.492 3.336 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090765 393632263 /nfs/dbraw/zinc/63/22/63/393632263.db2.gz OHCQVQSVLFXEEO-DZGCQCFKSA-N 1 3 296.405 3.312 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000490090765 393632266 /nfs/dbraw/zinc/63/22/66/393632266.db2.gz OHCQVQSVLFXEEO-DZGCQCFKSA-N 1 3 296.405 3.312 20 0 CGADHO CCc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422752861 393642347 /nfs/dbraw/zinc/64/23/47/393642347.db2.gz HQAVXENVQDXIOO-SJORKVTESA-N 1 3 260.425 3.041 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000422894478 393646164 /nfs/dbraw/zinc/64/61/64/393646164.db2.gz CKFGLEWMIREGGH-NXNVCVFFSA-N 1 3 260.425 3.428 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000423041264 393648963 /nfs/dbraw/zinc/64/89/63/393648963.db2.gz WTKXAMMBEDQHLE-UQOMUDLDSA-N 1 3 293.480 3.065 20 0 CGADHO CC[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423119572 393651465 /nfs/dbraw/zinc/65/14/65/393651465.db2.gz DYLZXVLKTSLGBR-SYQHCUMBSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000423119572 393651468 /nfs/dbraw/zinc/65/14/68/393651468.db2.gz DYLZXVLKTSLGBR-SYQHCUMBSA-N 1 3 292.389 3.475 20 0 CGADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)c2ccccc21 ZINC000423104456 393651831 /nfs/dbraw/zinc/65/18/31/393651831.db2.gz BKXFRPIYLNWGPU-GBJTYRQASA-N 1 3 296.361 3.271 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000424377349 393683442 /nfs/dbraw/zinc/68/34/42/393683442.db2.gz MLMHBOHKTOZHJV-HNKHHVNMSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC(C)(C)N ZINC000423288674 393659524 /nfs/dbraw/zinc/65/95/24/393659524.db2.gz UGYLTDDLWCGEDT-OAHLLOKOSA-N 1 3 271.408 3.181 20 0 CGADHO CC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529207 393672057 /nfs/dbraw/zinc/67/20/57/393672057.db2.gz OEEPYBYURZUJFI-IRXDYDNUSA-N 1 3 276.424 3.253 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000443428439 393756604 /nfs/dbraw/zinc/75/66/04/393756604.db2.gz ONWJDWYEDVAEHZ-HZPDHXFCSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000443428439 393756605 /nfs/dbraw/zinc/75/66/05/393756605.db2.gz ONWJDWYEDVAEHZ-HZPDHXFCSA-N 1 3 295.430 3.312 20 0 CGADHO CC1(C)CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000433169165 393692756 /nfs/dbraw/zinc/69/27/56/393692756.db2.gz PZGUCIJCIDSBJL-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000433234994 393701466 /nfs/dbraw/zinc/70/14/66/393701466.db2.gz UIQDFLCXZQPVRV-UONOGXRCSA-N 1 3 264.457 3.418 20 0 CGADHO c1nc(C2CCCC2)sc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952354 542828429 /nfs/dbraw/zinc/82/84/29/542828429.db2.gz SMTLQJANGHGIKD-CQSZACIVSA-N 1 3 291.464 3.032 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)CC(C)(C)C1 ZINC000666995673 542833963 /nfs/dbraw/zinc/83/39/63/542833963.db2.gz WFXBGWXEHGQTCU-KFWWJZLASA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995768 542834073 /nfs/dbraw/zinc/83/40/73/542834073.db2.gz ZSSHMVWZCPPCPA-WMLDXEAASA-N 1 3 290.426 3.411 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000666999558 542834603 /nfs/dbraw/zinc/83/46/03/542834603.db2.gz WLAROAIZUMQTGL-INIZCTEOSA-N 1 3 258.409 3.068 20 0 CGADHO CC1(C)CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297517777 134483865 /nfs/dbraw/zinc/48/38/65/134483865.db2.gz WMOYOSBNFUVRCG-HNNXBMFYSA-N 1 3 287.451 3.466 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC1=CCCCC1 ZINC000450593643 394027682 /nfs/dbraw/zinc/02/76/82/394027682.db2.gz BPKHCJKAQJSNMD-KZNAEPCWSA-N 1 3 292.467 3.060 20 0 CGADHO C[N@H+](CCCN1CCCC1)C[C@@H]1CCCCC1(F)F ZINC000450905329 394038638 /nfs/dbraw/zinc/03/86/38/394038638.db2.gz NSLOZPIYIMQABT-AWEZNQCLSA-N 1 3 274.399 3.230 20 0 CGADHO C[N@@H+](CCCN1CCCC1)C[C@@H]1CCCCC1(F)F ZINC000450905329 394038639 /nfs/dbraw/zinc/03/86/39/394038639.db2.gz NSLOZPIYIMQABT-AWEZNQCLSA-N 1 3 274.399 3.230 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228743 394212721 /nfs/dbraw/zinc/21/27/21/394212721.db2.gz BYMUYTSMDIHTQV-MZPVMMEZSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228743 394212726 /nfs/dbraw/zinc/21/27/26/394212726.db2.gz BYMUYTSMDIHTQV-MZPVMMEZSA-N 1 3 294.389 3.272 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866501 289057764 /nfs/dbraw/zinc/05/77/64/289057764.db2.gz ZZVCAQCUBGIFEN-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)C2CCCCC2)C1 ZINC000549866501 289057768 /nfs/dbraw/zinc/05/77/68/289057768.db2.gz ZZVCAQCUBGIFEN-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO Cc1cc(C)cc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000668531287 543024203 /nfs/dbraw/zinc/02/42/03/543024203.db2.gz QWNXFXBPBXBSML-UHFFFAOYSA-N 1 3 295.430 3.457 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668787 543040991 /nfs/dbraw/zinc/04/09/91/543040991.db2.gz CRVHXADAIRCKPF-SOVHRIKKSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668787 543040994 /nfs/dbraw/zinc/04/09/94/543040994.db2.gz CRVHXADAIRCKPF-SOVHRIKKSA-N 1 3 276.468 3.418 20 0 CGADHO c1ccc2c(c1)CC(C[NH2+]C[C@H]1CCCN(CC3CC3)C1)C2 ZINC000668818552 543066043 /nfs/dbraw/zinc/06/60/43/543066043.db2.gz JCRWXPAWFQXQPI-QGZVFWFLSA-N 1 3 298.474 3.113 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2c(O)cccc12 ZINC000672327622 543209090 /nfs/dbraw/zinc/20/90/90/543209090.db2.gz DQMXBNQPVTXVDN-KBPBESRZSA-N 1 3 297.402 3.003 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CCC1 ZINC000369295104 292123389 /nfs/dbraw/zinc/12/33/89/292123389.db2.gz USMCGWKEJAIRIN-OAHLLOKOSA-N 1 3 294.483 3.331 20 0 CGADHO COc1cccc(CNC(C)(C)CCC[NH+](C)C)c1F ZINC000387323014 397690306 /nfs/dbraw/zinc/69/03/06/397690306.db2.gz NDCDFOFAHOICEF-UHFFFAOYSA-N 1 3 282.403 3.044 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CC2CCC1CC2 ZINC000394388672 397695235 /nfs/dbraw/zinc/69/52/35/397695235.db2.gz ZCHCJSVPRYWIKO-ZGRYLRDCSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]1CN(CCCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000395100140 397696851 /nfs/dbraw/zinc/69/68/51/397696851.db2.gz HKEGMONQTVRMIH-HOTGVXAUSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@H]1C[N@H+](CCCC2CCCCC2)CC[C@@H]1N ZINC000395100140 397696855 /nfs/dbraw/zinc/69/68/55/397696855.db2.gz HKEGMONQTVRMIH-HOTGVXAUSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@@H]1N ZINC000395100140 397696859 /nfs/dbraw/zinc/69/68/59/397696859.db2.gz HKEGMONQTVRMIH-HOTGVXAUSA-N 1 3 252.446 3.406 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(C)cc1 ZINC000650718301 397901376 /nfs/dbraw/zinc/90/13/76/397901376.db2.gz GLRLRZJXQQNKAB-UHFFFAOYSA-N 1 3 254.377 3.004 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc2ccsc21 ZINC000650740696 397904206 /nfs/dbraw/zinc/90/42/06/397904206.db2.gz OKGCWCPHDFUJEM-WFASDCNBSA-N 1 3 274.433 3.379 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(C)nc1C ZINC000650756515 397909835 /nfs/dbraw/zinc/90/98/35/397909835.db2.gz CJKVOBLCWKFQGV-CQSZACIVSA-N 1 3 283.419 3.269 20 0 CGADHO COC1([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)CCCC1 ZINC000421835792 292146407 /nfs/dbraw/zinc/14/64/07/292146407.db2.gz FXPBBZNTHSEEMB-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@H](C)NCC[C@H](C)[NH+]2CCCCC2)CCCC1 ZINC000421835792 292146408 /nfs/dbraw/zinc/14/64/08/292146408.db2.gz FXPBBZNTHSEEMB-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO CCc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677242390 543441393 /nfs/dbraw/zinc/44/13/93/543441393.db2.gz ZUOBAUDDJLZMNX-MSOLQXFVSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677242390 543441394 /nfs/dbraw/zinc/44/13/94/543441394.db2.gz ZUOBAUDDJLZMNX-MSOLQXFVSA-N 1 3 272.436 3.008 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000677129529 543434418 /nfs/dbraw/zinc/43/44/18/543434418.db2.gz WXWIRCXINZIALS-UHFFFAOYSA-N 1 3 288.435 3.217 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000512988604 286011440 /nfs/dbraw/zinc/01/14/40/286011440.db2.gz XRZQLRLYZQSYED-KBAYOESNSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000512988604 286011443 /nfs/dbraw/zinc/01/14/43/286011443.db2.gz XRZQLRLYZQSYED-KBAYOESNSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271128 543506457 /nfs/dbraw/zinc/50/64/57/543506457.db2.gz OREGHIHWWPMZKS-NVXWUHKLSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271128 543506459 /nfs/dbraw/zinc/50/64/59/543506459.db2.gz OREGHIHWWPMZKS-NVXWUHKLSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000678898799 543570219 /nfs/dbraw/zinc/57/02/19/543570219.db2.gz SUWQMLNOEBMGPJ-NEWSRXKRSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000678930318 543574162 /nfs/dbraw/zinc/57/41/62/543574162.db2.gz HVMAXAMDYGIZTF-KDOFPFPSSA-N 1 3 270.420 3.162 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000422804585 292234520 /nfs/dbraw/zinc/23/45/20/292234520.db2.gz HPFPLTMKZGNWHT-ONIAQPFYSA-N 1 3 290.451 3.178 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422804585 292234523 /nfs/dbraw/zinc/23/45/23/292234523.db2.gz HPFPLTMKZGNWHT-ONIAQPFYSA-N 1 3 290.451 3.178 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC([NH3+])(CC)CC)C1(CC)CC ZINC000423287510 286278880 /nfs/dbraw/zinc/27/88/80/286278880.db2.gz MRTZXZBBPPZHLL-ZIAGYGMSSA-N 1 3 270.461 3.077 20 0 CGADHO COc1ccc([C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188557 286376605 /nfs/dbraw/zinc/37/66/05/286376605.db2.gz QTJFBVMSRBBMAK-RPVQJOFSSA-N 1 3 288.435 3.219 20 0 CGADHO COc1ccc([C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188557 286376608 /nfs/dbraw/zinc/37/66/08/286376608.db2.gz QTJFBVMSRBBMAK-RPVQJOFSSA-N 1 3 288.435 3.219 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C12CCCC2 ZINC000344082430 286397936 /nfs/dbraw/zinc/39/79/36/286397936.db2.gz YXBHITHBHFFEQA-WCXIOVBPSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)C1CCSCC1)N1CCCCC1 ZINC000187541908 286811567 /nfs/dbraw/zinc/81/15/67/286811567.db2.gz CTXQGYDFSAIQJL-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cncc(F)c1 ZINC000247240516 287023007 /nfs/dbraw/zinc/02/30/07/287023007.db2.gz YXMGZVKKHYIWSF-LSDHHAIUSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cncc(F)c1 ZINC000247240516 287023008 /nfs/dbraw/zinc/02/30/08/287023008.db2.gz YXMGZVKKHYIWSF-LSDHHAIUSA-N 1 3 293.430 3.383 20 0 CGADHO CSCCC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000075677043 287027196 /nfs/dbraw/zinc/02/71/96/287027196.db2.gz IBWRBOOGWNMAOJ-INIZCTEOSA-N 1 3 284.513 3.183 20 0 CGADHO CSCCC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000075677043 287027197 /nfs/dbraw/zinc/02/71/97/287027197.db2.gz IBWRBOOGWNMAOJ-INIZCTEOSA-N 1 3 284.513 3.183 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000423357167 287030148 /nfs/dbraw/zinc/03/01/48/287030148.db2.gz HWCOMWYYWZFIPM-GDBMZVCRSA-N 1 3 260.425 3.084 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000076000838 287030862 /nfs/dbraw/zinc/03/08/62/287030862.db2.gz LPNZPVWBGAKGPZ-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000076000838 287030864 /nfs/dbraw/zinc/03/08/64/287030864.db2.gz LPNZPVWBGAKGPZ-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000076000838 287030866 /nfs/dbraw/zinc/03/08/66/287030866.db2.gz LPNZPVWBGAKGPZ-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000358466075 287047355 /nfs/dbraw/zinc/04/73/55/287047355.db2.gz ILSZPVLWCSZLHY-UXLLHSPISA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089144982 165199380 /nfs/dbraw/zinc/19/93/80/165199380.db2.gz GRFXXNQYOVEZTR-USXIJHARSA-N 1 3 260.425 3.033 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C(C)C ZINC000090586448 287102904 /nfs/dbraw/zinc/10/29/04/287102904.db2.gz NJYHJYWDPWHNNY-HOTGVXAUSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000121384218 287197557 /nfs/dbraw/zinc/19/75/57/287197557.db2.gz FKPPDAGQWRRXMY-KRWDZBQOSA-N 1 3 274.452 3.236 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000121384218 287197560 /nfs/dbraw/zinc/19/75/60/287197560.db2.gz FKPPDAGQWRRXMY-KRWDZBQOSA-N 1 3 274.452 3.236 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000121384218 287197563 /nfs/dbraw/zinc/19/75/63/287197563.db2.gz FKPPDAGQWRRXMY-KRWDZBQOSA-N 1 3 274.452 3.236 20 0 CGADHO c1cc2ccc(C[NH2+]CCCN3CCCCC3)cc2[nH]1 ZINC000124337373 287232416 /nfs/dbraw/zinc/23/24/16/287232416.db2.gz OYIRLLGMNIVNRF-UHFFFAOYSA-N 1 3 271.408 3.134 20 0 CGADHO C[C@@H](C[NH2+]CCC1CCCCC1)CN1CCCC1 ZINC000125096679 287239909 /nfs/dbraw/zinc/23/99/09/287239909.db2.gz ZFDUXUHRUUXCAI-HNNXBMFYSA-N 1 3 252.446 3.278 20 0 CGADHO CCCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000020189429 171055770 /nfs/dbraw/zinc/05/57/70/171055770.db2.gz AHVWKQZBOSLYOU-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000125965303 287253990 /nfs/dbraw/zinc/25/39/90/287253990.db2.gz VOTOTXDTYQOYTP-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000037248858 173060975 /nfs/dbraw/zinc/06/09/75/173060975.db2.gz QZKAMZIOWCJQCV-LLVKDONJSA-N 1 3 286.341 3.450 20 0 CGADHO Cc1cc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000037649080 173598729 /nfs/dbraw/zinc/59/87/29/173598729.db2.gz PABFNJJTWTUKEK-GXTWGEPZSA-N 1 3 278.465 3.500 20 0 CGADHO Cc1cc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649080 173598731 /nfs/dbraw/zinc/59/87/31/173598731.db2.gz PABFNJJTWTUKEK-GXTWGEPZSA-N 1 3 278.465 3.500 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422727811 287282862 /nfs/dbraw/zinc/28/28/62/287282862.db2.gz HYZGOZJJBBKPJN-QKPAOTATSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@@H]([NH2+]C1CCNCC1)c1ccc(Br)cc1 ZINC000038041061 174040910 /nfs/dbraw/zinc/04/09/10/174040910.db2.gz RTUAXDTWHIRIIG-CQSZACIVSA-N 1 3 297.240 3.242 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000038097979 174112265 /nfs/dbraw/zinc/11/22/65/174112265.db2.gz LXSSKUCIDNLIGV-OAHLLOKOSA-N 1 3 260.425 3.438 20 0 CGADHO C[C@@H]1CCCN(Cc2cnc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000404405223 416554676 /nfs/dbraw/zinc/55/46/76/416554676.db2.gz UIUWVKIRALLXAF-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000130565419 287358218 /nfs/dbraw/zinc/35/82/18/287358218.db2.gz MYZMTCYFGJCUMC-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000130565419 287358222 /nfs/dbraw/zinc/35/82/22/287358222.db2.gz MYZMTCYFGJCUMC-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682073950 543820365 /nfs/dbraw/zinc/82/03/65/543820365.db2.gz POZDIENGYDUADV-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682073950 543820368 /nfs/dbraw/zinc/82/03/68/543820368.db2.gz POZDIENGYDUADV-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682073948 543821130 /nfs/dbraw/zinc/82/11/30/543821130.db2.gz POZDIENGYDUADV-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682073948 543821134 /nfs/dbraw/zinc/82/11/34/543821134.db2.gz POZDIENGYDUADV-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000132128745 287397591 /nfs/dbraw/zinc/39/75/91/287397591.db2.gz JSSVYYSLQXRQIV-CZUORRHYSA-N 1 3 260.425 3.097 20 0 CGADHO C[N@H+](CCCN1CCCC1)CC(C)(C)c1ccccc1 ZINC000684967427 544047819 /nfs/dbraw/zinc/04/78/19/544047819.db2.gz ZWORFMOVCWDKFY-UHFFFAOYSA-N 1 3 274.452 3.382 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CC(C)(C)c1ccccc1 ZINC000684967427 544047820 /nfs/dbraw/zinc/04/78/20/544047820.db2.gz ZWORFMOVCWDKFY-UHFFFAOYSA-N 1 3 274.452 3.382 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000650741536 418936416 /nfs/dbraw/zinc/93/64/16/418936416.db2.gz GADNRBUEOFMOJN-XWPNQZOQSA-N 1 3 294.442 3.399 20 0 CGADHO CSc1ccccc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355855 418955718 /nfs/dbraw/zinc/95/57/18/418955718.db2.gz JZMKYOXPYZEIBY-UKRRQHHQSA-N 1 3 278.465 3.358 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCc2ccsc2)[C@@H]1CCN ZINC000652356018 418955866 /nfs/dbraw/zinc/95/58/66/418955866.db2.gz QFXRZDSUBDVVOI-UKRRQHHQSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCc2ccsc2)[C@@H]1CCN ZINC000652356018 418955868 /nfs/dbraw/zinc/95/58/68/418955868.db2.gz QFXRZDSUBDVVOI-UKRRQHHQSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@@H]1CCCN(CCCc2ccsc2)[C@@H]1CC[NH3+] ZINC000652356018 418955870 /nfs/dbraw/zinc/95/58/70/418955870.db2.gz QFXRZDSUBDVVOI-UKRRQHHQSA-N 1 3 266.454 3.130 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCC2CCC2)C1 ZINC000659973998 419049204 /nfs/dbraw/zinc/04/92/04/419049204.db2.gz JGMLMOBOPCLQCC-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCC2CCC2)C1 ZINC000659973998 419049211 /nfs/dbraw/zinc/04/92/11/419049211.db2.gz JGMLMOBOPCLQCC-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659973998 419049214 /nfs/dbraw/zinc/04/92/14/419049214.db2.gz JGMLMOBOPCLQCC-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659973998 419049218 /nfs/dbraw/zinc/04/92/18/419049218.db2.gz JGMLMOBOPCLQCC-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC(C)(C)CC(C)(C)C1 ZINC000665245642 419090129 /nfs/dbraw/zinc/09/01/29/419090129.db2.gz OCQMXISCQZJQPI-NUEKZKHPSA-N 1 3 296.499 3.181 20 0 CGADHO Cc1cc(C)cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665245670 419090167 /nfs/dbraw/zinc/09/01/67/419090167.db2.gz OXLGMJVVJXNBLT-RCCFBDPRSA-N 1 3 272.436 3.314 20 0 CGADHO [NH3+]C1(CN[C@H]2CC[C@@H](c3ccccc3)C2)CCCC1 ZINC000665247667 419090296 /nfs/dbraw/zinc/09/02/96/419090296.db2.gz HPTAEAGRSOUTDI-CVEARBPZSA-N 1 3 258.409 3.184 20 0 CGADHO CC1(C)[C@H](NCC2([NH3+])CCCC2)C[C@H]1c1ccccc1 ZINC000665247490 419090372 /nfs/dbraw/zinc/09/03/72/419090372.db2.gz CWTVAAQOQKCUTK-JKSUJKDBSA-N 1 3 272.436 3.430 20 0 CGADHO CC1(C)C[C@]1(C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665275099 419098199 /nfs/dbraw/zinc/09/81/99/419098199.db2.gz BWNKXVBXKIQDIM-JCGIZDLHSA-N 1 3 286.419 3.021 20 0 CGADHO CC1(C)C[C@]1(C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665275101 419098483 /nfs/dbraw/zinc/09/84/83/419098483.db2.gz BWNKXVBXKIQDIM-WBAXXEDZSA-N 1 3 286.419 3.021 20 0 CGADHO c1coc(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665282970 419103584 /nfs/dbraw/zinc/10/35/84/419103584.db2.gz FMFZHOZMWNBLSO-YESZJQIVSA-N 1 3 276.424 3.113 20 0 CGADHO c1coc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)c1 ZINC000665282970 419103589 /nfs/dbraw/zinc/10/35/89/419103589.db2.gz FMFZHOZMWNBLSO-YESZJQIVSA-N 1 3 276.424 3.113 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983485 419052725 /nfs/dbraw/zinc/05/27/25/419052725.db2.gz NOFGZDYQFIRYLX-NJAFHUGGSA-N 1 3 296.499 3.386 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983485 419052728 /nfs/dbraw/zinc/05/27/28/419052728.db2.gz NOFGZDYQFIRYLX-NJAFHUGGSA-N 1 3 296.499 3.386 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CS1 ZINC000655683665 419063863 /nfs/dbraw/zinc/06/38/63/419063863.db2.gz UGRFMMGLDRKPQR-RYUDHWBXSA-N 1 3 270.486 3.169 20 0 CGADHO C[C@H]1CC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CS1 ZINC000655683665 419063866 /nfs/dbraw/zinc/06/38/66/419063866.db2.gz UGRFMMGLDRKPQR-RYUDHWBXSA-N 1 3 270.486 3.169 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000656200855 419150003 /nfs/dbraw/zinc/15/00/03/419150003.db2.gz VKPOVMOALWJHMD-GJZGRUSLSA-N 1 3 262.372 3.064 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN([C@@H]1CCc3ccccc31)C2 ZINC000660660653 419176339 /nfs/dbraw/zinc/17/63/39/419176339.db2.gz AJANNTWEIUNSLU-MSOLQXFVSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN([C@@H]1CCc3ccccc31)C2 ZINC000660660653 419176341 /nfs/dbraw/zinc/17/63/41/419176341.db2.gz AJANNTWEIUNSLU-MSOLQXFVSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCc3ccccc31)C2 ZINC000660660655 419178225 /nfs/dbraw/zinc/17/82/25/419178225.db2.gz AJANNTWEIUNSLU-QZTJIDSGSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCc3ccccc31)C2 ZINC000660660655 419178228 /nfs/dbraw/zinc/17/82/28/419178228.db2.gz AJANNTWEIUNSLU-QZTJIDSGSA-N 1 3 270.420 3.092 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CC1(F)F ZINC000666228877 419200764 /nfs/dbraw/zinc/20/07/64/419200764.db2.gz YHDNZHKHYVCONF-SMDDNHRTSA-N 1 3 272.383 3.027 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC1(F)F ZINC000666228877 419200766 /nfs/dbraw/zinc/20/07/66/419200766.db2.gz YHDNZHKHYVCONF-SMDDNHRTSA-N 1 3 272.383 3.027 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)NCC1([NH3+])CCCC1 ZINC000656788975 419220773 /nfs/dbraw/zinc/22/07/73/419220773.db2.gz HJNYKFWWUUMDEP-INIZCTEOSA-N 1 3 260.425 3.177 20 0 CGADHO C1CC2(C1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CO2 ZINC000657630267 419316203 /nfs/dbraw/zinc/31/62/03/419316203.db2.gz AKJYOIFYJDGSOT-MRXNPFEDSA-N 1 3 292.467 3.085 20 0 CGADHO c1c2cnccc2oc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657815217 419365194 /nfs/dbraw/zinc/36/51/94/419365194.db2.gz NABSZFLIUHSFBI-UHFFFAOYSA-N 1 3 299.418 3.039 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264366 419374744 /nfs/dbraw/zinc/37/47/44/419374744.db2.gz JGRFYSUQAQETKP-XLMAVXFVSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264366 419374749 /nfs/dbraw/zinc/37/47/49/419374749.db2.gz JGRFYSUQAQETKP-XLMAVXFVSA-N 1 3 272.436 3.239 20 0 CGADHO C(CC1CCC1)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662263889 419376020 /nfs/dbraw/zinc/37/60/20/419376020.db2.gz GHSCBWCSQTYECE-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO CO[C@H](CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275469 419382030 /nfs/dbraw/zinc/38/20/30/419382030.db2.gz CZQWPRVFMYXJSQ-KZNAEPCWSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000662280477 419382868 /nfs/dbraw/zinc/38/28/68/419382868.db2.gz FBXBLRQNCAYHHK-SUMWQHHRSA-N 1 3 258.409 3.001 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657932991 419448957 /nfs/dbraw/zinc/44/89/57/419448957.db2.gz YFAXUAOUIHQMLZ-HZPDHXFCSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCC1 ZINC000658165346 419632642 /nfs/dbraw/zinc/63/26/42/419632642.db2.gz IRGKBYYYQJGLGT-OAHLLOKOSA-N 1 3 287.451 3.072 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000658168390 419634748 /nfs/dbraw/zinc/63/47/48/419634748.db2.gz WRHUHCCDHFRWGL-IPMKNSEASA-N 1 3 299.462 3.072 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000663499262 419635945 /nfs/dbraw/zinc/63/59/45/419635945.db2.gz HQPAOWNPDGXWAH-DOTOQJQBSA-N 1 3 262.441 3.279 20 0 CGADHO Cc1ccc(CC[C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663499262 419635949 /nfs/dbraw/zinc/63/59/49/419635949.db2.gz HQPAOWNPDGXWAH-DOTOQJQBSA-N 1 3 262.441 3.279 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464588 419615375 /nfs/dbraw/zinc/61/53/75/419615375.db2.gz DTUMHDLRUBVINW-RHSMWYFYSA-N 1 3 264.457 3.277 20 0 CGADHO C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663466033 419615906 /nfs/dbraw/zinc/61/59/06/419615906.db2.gz NFNQJOKUIWKTCS-MAUKXSAKSA-N 1 3 276.468 3.277 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469570 419626386 /nfs/dbraw/zinc/62/63/86/419626386.db2.gz QOICZZYTVUWZRB-DZKIICNBSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(OCCN(C)C)cc1 ZINC000658192249 419651450 /nfs/dbraw/zinc/65/14/50/419651450.db2.gz CZRDYHZNJXMUSG-AWEZNQCLSA-N 1 3 296.430 3.416 20 0 CGADHO FC1(F)CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000390692169 262241433 /nfs/dbraw/zinc/24/14/33/262241433.db2.gz AZSCLKMOBHAIRT-APIJFGDWSA-N 1 3 286.410 3.322 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000390692169 262241434 /nfs/dbraw/zinc/24/14/34/262241434.db2.gz AZSCLKMOBHAIRT-APIJFGDWSA-N 1 3 286.410 3.322 20 0 CGADHO COc1ccc(CC[C@H](C)[NH2+]CCCN(C)C(C)C)cc1 ZINC000221913026 262322684 /nfs/dbraw/zinc/32/26/84/262322684.db2.gz HUJZEOHGPBUSCV-INIZCTEOSA-N 1 3 292.467 3.336 20 0 CGADHO CCc1ccc(C[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000021501525 262386858 /nfs/dbraw/zinc/38/68/58/262386858.db2.gz MNFVUJZMHPCMLU-UHFFFAOYSA-N 1 3 274.452 3.461 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000230986879 287641636 /nfs/dbraw/zinc/64/16/36/287641636.db2.gz VLXLJUIROCTAAZ-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000231676699 287643286 /nfs/dbraw/zinc/64/32/86/287643286.db2.gz NYKNIXJNKOFMHM-JKSUJKDBSA-N 1 3 284.488 3.149 20 0 CGADHO CC(C)C1CC([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC000232537281 287645512 /nfs/dbraw/zinc/64/55/12/287645512.db2.gz CVVJKCNJTQDYAG-QQFBHYJXSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000186502403 270066171 /nfs/dbraw/zinc/06/61/71/270066171.db2.gz DNFFAGTZDVMDII-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccnc(C)c2)CC1 ZINC000527531844 270128432 /nfs/dbraw/zinc/12/84/32/270128432.db2.gz CNONBZLKMMJZRN-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccnc(C)c2)CC1 ZINC000527531844 270128433 /nfs/dbraw/zinc/12/84/33/270128433.db2.gz CNONBZLKMMJZRN-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CC[C@@H](CCc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000527876394 270141430 /nfs/dbraw/zinc/14/14/30/270141430.db2.gz MYJCDLBLWBGIRL-SFHVURJKSA-N 1 3 272.436 3.249 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528398596 270163916 /nfs/dbraw/zinc/16/39/16/270163916.db2.gz XMILGLJTOGDJCI-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528398596 270163917 /nfs/dbraw/zinc/16/39/17/270163917.db2.gz XMILGLJTOGDJCI-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528398596 270163918 /nfs/dbraw/zinc/16/39/18/270163918.db2.gz XMILGLJTOGDJCI-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000530222347 270196548 /nfs/dbraw/zinc/19/65/48/270196548.db2.gz ZMFOLFCOPQQXHV-NEPJUHHUSA-N 1 3 262.388 3.165 20 0 CGADHO Cc1cccc([C@H](N[C@H]2CCC[NH2+]CC2)C(C)C)c1 ZINC000530220033 270196307 /nfs/dbraw/zinc/19/63/07/270196307.db2.gz BCZSLXRGQHSYIF-DLBZAZTESA-N 1 3 260.425 3.424 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000531955317 270211270 /nfs/dbraw/zinc/21/12/70/270211270.db2.gz ZZANTOXZEJWKAJ-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222932614 274122432 /nfs/dbraw/zinc/12/24/32/274122432.db2.gz JGFLXROMRLPWQV-JOQOYGCGSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222932614 274122433 /nfs/dbraw/zinc/12/24/33/274122433.db2.gz JGFLXROMRLPWQV-JOQOYGCGSA-N 1 3 288.435 3.145 20 0 CGADHO CC(C)CN1CCC([NH2+]CC2CCCCC2)CC1 ZINC000221809894 275570595 /nfs/dbraw/zinc/57/05/95/275570595.db2.gz IKHRDOSQKYPFCY-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414926524 275879113 /nfs/dbraw/zinc/87/91/13/275879113.db2.gz NJQLNCKXRCYTCO-FZKCQIBNSA-N 1 3 252.446 3.451 20 0 CGADHO CC(C)Oc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414792316 275974483 /nfs/dbraw/zinc/97/44/83/275974483.db2.gz CCJNOPWXCYHDCX-WBVHZDCISA-N 1 3 276.424 3.081 20 0 CGADHO CC1(CNCc2c(Cl)cccc2Cl)CC[NH2+]CC1 ZINC000414899381 276168245 /nfs/dbraw/zinc/16/82/45/276168245.db2.gz FVTZSJFGPSPUDS-UHFFFAOYSA-N 1 3 287.234 3.473 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000479413223 276180730 /nfs/dbraw/zinc/18/07/30/276180730.db2.gz AGNINWNWOIQQQP-LUKYLMHMSA-N 1 3 264.457 3.441 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000129247192 276196809 /nfs/dbraw/zinc/19/68/09/276196809.db2.gz DSLPRBXMFPSUAL-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNCc2ccncc2)cc1 ZINC000020146475 276334775 /nfs/dbraw/zinc/33/47/75/276334775.db2.gz AIULJSXQCGFOJK-UHFFFAOYSA-N 1 3 283.419 3.213 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176157 277073457 /nfs/dbraw/zinc/07/34/57/277073457.db2.gz IBHHUSXQWLPGMA-MLGOLLRUSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176157 277073460 /nfs/dbraw/zinc/07/34/60/277073460.db2.gz IBHHUSXQWLPGMA-MLGOLLRUSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN[C@]1(C)CCCc2ccccc21 ZINC000503052109 277079325 /nfs/dbraw/zinc/07/93/25/277079325.db2.gz JRZWHNJEGAAABS-FUHWJXTLSA-N 1 3 272.436 3.312 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN[C@]1(C)CCCc2ccccc21 ZINC000503052109 277079327 /nfs/dbraw/zinc/07/93/27/277079327.db2.gz JRZWHNJEGAAABS-FUHWJXTLSA-N 1 3 272.436 3.312 20 0 CGADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424267749 277352288 /nfs/dbraw/zinc/35/22/88/277352288.db2.gz YNIYYPUMYRJPGV-QXDIGNSFSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000423090602 278169146 /nfs/dbraw/zinc/16/91/46/278169146.db2.gz VTLNEXOVAHABHB-RKDXNWHRSA-N 1 3 295.374 3.330 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC(F)(F)F ZINC000396951563 288018976 /nfs/dbraw/zinc/01/89/76/288018976.db2.gz QNHDSCVRLHLILU-REWJHTLYSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)CN1CCCCC1 ZINC000037997562 278208150 /nfs/dbraw/zinc/20/81/50/278208150.db2.gz HTSFPURPAXBKFS-HZPDHXFCSA-N 1 3 250.430 3.054 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000397269635 288022629 /nfs/dbraw/zinc/02/26/29/288022629.db2.gz MECQVUCZYVNNNB-CKEIUWERSA-N 1 3 283.419 3.040 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@@H]1CC1(C)C ZINC000397595857 288024673 /nfs/dbraw/zinc/02/46/73/288024673.db2.gz DJOWIGBMBXCHOV-KKUMJFAQSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(C)C1CCC(C[NH2+]C2CCNCC2)CC1 ZINC000414789495 278301322 /nfs/dbraw/zinc/30/13/22/278301322.db2.gz OCKKGJAYLSPZOC-UHFFFAOYSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228470887 278307363 /nfs/dbraw/zinc/30/73/63/278307363.db2.gz OGHFEZMYAMOYSY-WXYCVUISSA-N 1 3 278.827 3.460 20 0 CGADHO C[C@@H]([C@H](C)[NH2+][C@H]1CCNC[C@H]1C)C1CCCCC1 ZINC000423363930 278410346 /nfs/dbraw/zinc/41/03/46/278410346.db2.gz CDGQKKBGCGJGAL-HOSILWTGSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000423050568 278561958 /nfs/dbraw/zinc/56/19/58/278561958.db2.gz MJBDZQDVHQLNOA-ZBFHGGJFSA-N 1 3 250.430 3.245 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000414855309 278789805 /nfs/dbraw/zinc/78/98/05/278789805.db2.gz MSXFBPJMSQKTBB-JYJNAYRXSA-N 1 3 252.446 3.181 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382821 288086296 /nfs/dbraw/zinc/08/62/96/288086296.db2.gz WGWXTOVYBQHYQS-WDSOQIARSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382821 288086298 /nfs/dbraw/zinc/08/62/98/288086298.db2.gz WGWXTOVYBQHYQS-WDSOQIARSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382821 288086301 /nfs/dbraw/zinc/08/63/01/288086301.db2.gz WGWXTOVYBQHYQS-WDSOQIARSA-N 1 3 286.463 3.454 20 0 CGADHO CC(C)C[C@H](CN)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423258053 279142879 /nfs/dbraw/zinc/14/28/79/279142879.db2.gz AVCLTTBVZVJHBC-OCCSQVGLSA-N 1 3 282.428 3.326 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2F)C1 ZINC000459745914 288101156 /nfs/dbraw/zinc/10/11/56/288101156.db2.gz YVAMAGPKCXAJKL-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Cl)ccc2F)C1 ZINC000459745914 288101158 /nfs/dbraw/zinc/10/11/58/288101158.db2.gz YVAMAGPKCXAJKL-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)N1CCCCC1 ZINC000338014075 279267497 /nfs/dbraw/zinc/26/74/97/279267497.db2.gz DXYVHWMQBNNKMY-DJIMGWMZSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](C[N@H+](C)C1CC(N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414765293 279280671 /nfs/dbraw/zinc/28/06/71/279280671.db2.gz BNLQZKMEWFBIQN-GWMXKSKGSA-N 1 3 286.341 3.230 20 0 CGADHO C[C@H](C[N@@H+](C)C1CC(N)C1)c1ccc(C(F)(F)F)cc1 ZINC000414765293 279280673 /nfs/dbraw/zinc/28/06/73/279280673.db2.gz BNLQZKMEWFBIQN-GWMXKSKGSA-N 1 3 286.341 3.230 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1Cl ZINC000423496738 279518064 /nfs/dbraw/zinc/51/80/64/279518064.db2.gz XLMGHMTZTOVBTP-HOSYDEDBSA-N 1 3 270.779 3.257 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000178038623 288159967 /nfs/dbraw/zinc/15/99/67/288159967.db2.gz BPVIOYJZTISAJQ-MWDXBVQZSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])Nc1ccccc1 ZINC000422978733 280254387 /nfs/dbraw/zinc/25/43/87/280254387.db2.gz KKMHZPWAMQMYJH-KURKYZTESA-N 1 3 289.467 3.373 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000425919956 280808611 /nfs/dbraw/zinc/80/86/11/280808611.db2.gz GWADZCUUIFKTCS-HOTGVXAUSA-N 1 3 262.441 3.103 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)CCC2 ZINC000423395909 281126528 /nfs/dbraw/zinc/12/65/28/281126528.db2.gz TUDIJSUMQCWTIQ-JLJPHGGASA-N 1 3 258.409 3.103 20 0 CGADHO CC[C@](C)(NC[C@H]1CC[NH2+][C@@H](C)C1)c1nc(C)cs1 ZINC000414713208 281289091 /nfs/dbraw/zinc/28/90/91/281289091.db2.gz TYTGQGGNJXQFPU-WHOFXGATSA-N 1 3 281.469 3.054 20 0 CGADHO CCc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000450324668 281384426 /nfs/dbraw/zinc/38/44/26/281384426.db2.gz QSEAOGBORIDMIG-QGZVFWFLSA-N 1 3 273.424 3.099 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC1 ZINC000532442755 288361053 /nfs/dbraw/zinc/36/10/53/288361053.db2.gz KKFYOSUFPITAEH-HOCLYGCPSA-N 1 3 252.446 3.275 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532463477 288362784 /nfs/dbraw/zinc/36/27/84/288362784.db2.gz BDTFWIXEMPDUID-FUHWJXTLSA-N 1 3 274.452 3.432 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532463477 288362786 /nfs/dbraw/zinc/36/27/86/288362786.db2.gz BDTFWIXEMPDUID-FUHWJXTLSA-N 1 3 274.452 3.432 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000423042448 281893662 /nfs/dbraw/zinc/89/36/62/281893662.db2.gz ZGDUEOUXPBOJQE-GUIRCDHDSA-N 1 3 275.440 3.324 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000549034790 289032621 /nfs/dbraw/zinc/03/26/21/289032621.db2.gz ACEZGDDTHNRLMI-YYIAUSFCSA-N 1 3 264.457 3.133 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000549550365 289046311 /nfs/dbraw/zinc/04/63/11/289046311.db2.gz GZBCSFFYIAJYDP-QIPHDZALSA-N 1 3 272.436 3.410 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000549550365 289046313 /nfs/dbraw/zinc/04/63/13/289046313.db2.gz GZBCSFFYIAJYDP-QIPHDZALSA-N 1 3 272.436 3.410 20 0 CGADHO c1nc(C2CC2)sc1CNCCCCC[NH+]1CCCC1 ZINC000550263062 289071658 /nfs/dbraw/zinc/07/16/58/289071658.db2.gz VGQCWFVRTVJRPB-UHFFFAOYSA-N 1 3 293.480 3.376 20 0 CGADHO CCCCN1CCC([NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000551266779 289105884 /nfs/dbraw/zinc/10/58/84/289105884.db2.gz DXWDRTUGWJJAMA-CQSZACIVSA-N 1 3 291.439 3.005 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000551309490 289110784 /nfs/dbraw/zinc/11/07/84/289110784.db2.gz UWXHHIHWECVUMS-NRSFXHEJSA-N 1 3 290.426 3.377 20 0 CGADHO CC(C)C(C[N@@H+]1CCC[C@H](N(C)C)CC1)C(C)C ZINC000551583577 289123907 /nfs/dbraw/zinc/12/39/07/289123907.db2.gz SCTZCJYGEVXEOA-HNNXBMFYSA-N 1 3 254.462 3.331 20 0 CGADHO CC(C)C(C[N@H+]1CCC[C@H](N(C)C)CC1)C(C)C ZINC000551583577 289123908 /nfs/dbraw/zinc/12/39/08/289123908.db2.gz SCTZCJYGEVXEOA-HNNXBMFYSA-N 1 3 254.462 3.331 20 0 CGADHO CN1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000552250037 289175517 /nfs/dbraw/zinc/17/55/17/289175517.db2.gz STQJFMLJSDLSHB-SQNIBIBYSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@H](NCCOC2CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000552250037 289175518 /nfs/dbraw/zinc/17/55/18/289175518.db2.gz STQJFMLJSDLSHB-SQNIBIBYSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@H+]1CC[C@H](NCCOC2CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000552250037 289175523 /nfs/dbraw/zinc/17/55/23/289175523.db2.gz STQJFMLJSDLSHB-SQNIBIBYSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000552900947 289201930 /nfs/dbraw/zinc/20/19/30/289201930.db2.gz HUHLKOBQLFBACT-BRWVUGGUSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000552900947 289201932 /nfs/dbraw/zinc/20/19/32/289201932.db2.gz HUHLKOBQLFBACT-BRWVUGGUSA-N 1 3 290.451 3.001 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000449444536 289940081 /nfs/dbraw/zinc/94/00/81/289940081.db2.gz BNPXGKITCCZSGD-ZQIUZPCESA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1(C)CC1 ZINC000359909021 289955283 /nfs/dbraw/zinc/95/52/83/289955283.db2.gz JGYVZKBDLVYMPE-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000423384479 290053724 /nfs/dbraw/zinc/05/37/24/290053724.db2.gz QGHCKAIVGYXVFL-DYEKYZERSA-N 1 3 278.465 3.418 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333226 290212743 /nfs/dbraw/zinc/21/27/43/290212743.db2.gz SMOOQYLYGOYHNZ-MCIONIFRSA-N 1 3 294.389 3.347 20 0 CGADHO C[C@@H]1C[C@H](C)N(CCCCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000422631182 297367298 /nfs/dbraw/zinc/36/72/98/297367298.db2.gz FEPPRSMOPVNKBG-WOPDTQHZSA-N 1 3 266.351 3.024 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CCN1 ZINC000414940589 297449752 /nfs/dbraw/zinc/44/97/52/297449752.db2.gz BUDHZXHBCCVRSG-YYQUZTFQSA-N 1 3 276.399 3.192 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](c1ccccc1)c1ccccn1 ZINC000422762029 298392921 /nfs/dbraw/zinc/39/29/21/298392921.db2.gz NGCJKPMRGQTVLG-CRAIPNDOSA-N 1 3 283.419 3.278 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)c1cccc(Cl)c1 ZINC000414818934 298777956 /nfs/dbraw/zinc/77/79/56/298777956.db2.gz GGTPRDNIQQIGTJ-IPYPFGDCSA-N 1 3 280.843 3.421 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000423202020 302066227 /nfs/dbraw/zinc/06/62/27/302066227.db2.gz ADIFXGORRAHROI-FMKPAKJESA-N 1 3 258.409 3.133 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346852718 302217661 /nfs/dbraw/zinc/21/76/61/302217661.db2.gz XGBZPWUQSCQDKO-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346852718 302217663 /nfs/dbraw/zinc/21/76/63/302217663.db2.gz XGBZPWUQSCQDKO-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccsc1[C@@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000423529574 302304892 /nfs/dbraw/zinc/30/48/92/302304892.db2.gz OPYHEGLOTLWSEE-YPMHNXCESA-N 1 3 252.427 3.225 20 0 CGADHO NC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)C2CC3CC(C2)CC1C3 ZINC000423517290 303359659 /nfs/dbraw/zinc/35/96/59/303359659.db2.gz BMGLWWCIZBMUIB-YSMXEIBASA-N 1 3 294.458 3.258 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000564791874 322042951 /nfs/dbraw/zinc/04/29/51/322042951.db2.gz SLWWVCNCMZTRIZ-IAGOWNOFSA-N 1 3 260.425 3.086 20 0 CGADHO CCNCCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000564791874 322042953 /nfs/dbraw/zinc/04/29/53/322042953.db2.gz SLWWVCNCMZTRIZ-IAGOWNOFSA-N 1 3 260.425 3.086 20 0 CGADHO COc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1F ZINC000564988421 322052717 /nfs/dbraw/zinc/05/27/17/322052717.db2.gz GMUXXHYSYZLGPL-GFCCVEGCSA-N 1 3 288.366 3.144 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491412 322079778 /nfs/dbraw/zinc/07/97/78/322079778.db2.gz PABTXYUCFDFASV-XUXIUFHCSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491412 322079780 /nfs/dbraw/zinc/07/97/80/322079780.db2.gz PABTXYUCFDFASV-XUXIUFHCSA-N 1 3 278.827 3.446 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000565827650 322092942 /nfs/dbraw/zinc/09/29/42/322092942.db2.gz RVIVPKOXQGCZLH-QJPTWQEYSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)NCCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000565944994 322097812 /nfs/dbraw/zinc/09/78/12/322097812.db2.gz VCVKBFBEUJNRQM-NSHDSACASA-N 1 3 254.340 3.085 20 0 CGADHO CCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000566048144 322101666 /nfs/dbraw/zinc/10/16/66/322101666.db2.gz UCAVHXKBROWJIO-AWEZNQCLSA-N 1 3 295.430 3.115 20 0 CGADHO CCc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000566048144 322101668 /nfs/dbraw/zinc/10/16/68/322101668.db2.gz UCAVHXKBROWJIO-AWEZNQCLSA-N 1 3 295.430 3.115 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000566245380 322111683 /nfs/dbraw/zinc/11/16/83/322111683.db2.gz OSFBYJOIAKUFTG-QGZVFWFLSA-N 1 3 282.387 3.018 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(N2CCCC2)c1 ZINC000566481120 322125704 /nfs/dbraw/zinc/12/57/04/322125704.db2.gz ADVHLSOZJLNHRL-USXIJHARSA-N 1 3 287.451 3.207 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(N2CCCC2)c1 ZINC000566481116 322125715 /nfs/dbraw/zinc/12/57/15/322125715.db2.gz ADVHLSOZJLNHRL-BHYGNILZSA-N 1 3 287.451 3.207 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000566482540 322125864 /nfs/dbraw/zinc/12/58/64/322125864.db2.gz OIJDOQRXKZJSAV-XQHKEYJVSA-N 1 3 278.362 3.215 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566572668 322130134 /nfs/dbraw/zinc/13/01/34/322130134.db2.gz VPVQAHKIVUNLRK-JFILPPLUSA-N 1 3 296.842 3.276 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2ccc(-c3ccncc3)cc2F)C1 ZINC000566666302 322133829 /nfs/dbraw/zinc/13/38/29/322133829.db2.gz FROGBIOYOOMFCB-DYVFJYSZSA-N 1 3 299.393 3.105 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000567167249 322152805 /nfs/dbraw/zinc/15/28/05/322152805.db2.gz JZADTFFCESUJLK-YIDVYQOGSA-N 1 3 268.420 3.168 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000567642343 322171803 /nfs/dbraw/zinc/17/18/03/322171803.db2.gz JQVZJMASUCEBDK-IEBWSBKVSA-N 1 3 295.430 3.356 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2cccc(Cl)c2Cl)C1 ZINC000568248543 322200475 /nfs/dbraw/zinc/20/04/75/322200475.db2.gz UIDCFEPGOSEPSE-RYUDHWBXSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC000568248543 322200477 /nfs/dbraw/zinc/20/04/77/322200477.db2.gz UIDCFEPGOSEPSE-RYUDHWBXSA-N 1 3 287.234 3.395 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000568726921 322219775 /nfs/dbraw/zinc/21/97/75/322219775.db2.gz ONVYARUJTQFTNF-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000568726921 322219778 /nfs/dbraw/zinc/21/97/78/322219778.db2.gz ONVYARUJTQFTNF-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000570397628 322272416 /nfs/dbraw/zinc/27/24/16/322272416.db2.gz OZTOXMWKHNQNIG-SFHVURJKSA-N 1 3 284.378 3.452 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000571061611 322289140 /nfs/dbraw/zinc/28/91/40/322289140.db2.gz ZVDWGIWHZXGOPP-ZWKOTPCHSA-N 1 3 298.430 3.468 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCCOc2ccc3ccccc3c2)C1 ZINC000571061611 322289141 /nfs/dbraw/zinc/28/91/41/322289141.db2.gz ZVDWGIWHZXGOPP-ZWKOTPCHSA-N 1 3 298.430 3.468 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000572527315 322341654 /nfs/dbraw/zinc/34/16/54/322341654.db2.gz XUUCXJOWHVVWST-CJNGLKHVSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000572527315 322341655 /nfs/dbraw/zinc/34/16/55/322341655.db2.gz XUUCXJOWHVVWST-CJNGLKHVSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)s1 ZINC000572527315 322341659 /nfs/dbraw/zinc/34/16/59/322341659.db2.gz XUUCXJOWHVVWST-CJNGLKHVSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)s1 ZINC000572527315 322341662 /nfs/dbraw/zinc/34/16/62/322341662.db2.gz XUUCXJOWHVVWST-CJNGLKHVSA-N 1 3 278.465 3.227 20 0 CGADHO CC[NH2+]CCCN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000575172852 322476904 /nfs/dbraw/zinc/47/69/04/322476904.db2.gz MJDCCOORAISGCK-KRWDZBQOSA-N 1 3 260.425 3.425 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000582735983 329134039 /nfs/dbraw/zinc/13/40/39/329134039.db2.gz QUQDQRQGSGWNPO-CVEARBPZSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000397265989 329346764 /nfs/dbraw/zinc/34/67/64/329346764.db2.gz KIRFOHKGXBLEBP-IJEWVQPXSA-N 1 3 283.419 3.040 20 0 CGADHO C1=C(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000379575134 330135103 /nfs/dbraw/zinc/13/51/03/330135103.db2.gz XLONEACCUKSRJC-BRWVUGGUSA-N 1 3 262.441 3.387 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718049 335239959 /nfs/dbraw/zinc/23/99/59/335239959.db2.gz PGHNWFJRODDRDA-STQMWFEESA-N 1 3 294.389 3.246 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718049 335239960 /nfs/dbraw/zinc/23/99/60/335239960.db2.gz PGHNWFJRODDRDA-STQMWFEESA-N 1 3 294.389 3.246 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000577123950 335304785 /nfs/dbraw/zinc/30/47/85/335304785.db2.gz ALOWSNYYKQVDJS-CYDGBPFRSA-N 1 3 278.362 3.357 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1Cl ZINC000577626783 335381769 /nfs/dbraw/zinc/38/17/69/335381769.db2.gz SJKATWRPORWQCU-STQMWFEESA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000577626783 335381770 /nfs/dbraw/zinc/38/17/70/335381770.db2.gz SJKATWRPORWQCU-STQMWFEESA-N 1 3 280.843 3.477 20 0 CGADHO CCc1cccc(C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000581073020 336004493 /nfs/dbraw/zinc/00/44/93/336004493.db2.gz CCIDESBNYIGNBV-GOSISDBHSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Cl)c(F)c1 ZINC000386450632 336174975 /nfs/dbraw/zinc/17/49/75/336174975.db2.gz DOVOXBXJTDDCOV-WDEREUQCSA-N 1 3 272.795 3.327 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccccc3Cl)CC2)C1 ZINC000581954357 336178843 /nfs/dbraw/zinc/17/88/43/336178843.db2.gz URGMINMFEQJWOY-CHWSQXEVSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000581954357 336178844 /nfs/dbraw/zinc/17/88/44/336178844.db2.gz URGMINMFEQJWOY-CHWSQXEVSA-N 1 3 278.827 3.231 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC12CCCC2 ZINC000386943518 336182715 /nfs/dbraw/zinc/18/27/15/336182715.db2.gz UZWCQOVWIISYBG-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@H]1CN(Cc2cc(C)c(C)cc2C)CC[C@@H]1[NH3+] ZINC000220233553 572875829 /nfs/dbraw/zinc/87/58/29/572875829.db2.gz WFDSIGYWZIRYAT-RDJZCZTQSA-N 1 3 260.425 3.171 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1C(F)(F)F ZINC000424373361 533718044 /nfs/dbraw/zinc/71/80/44/533718044.db2.gz XSNZSWVCUFCOAH-ZIAGYGMSSA-N 1 3 286.341 3.373 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368564342 533981961 /nfs/dbraw/zinc/98/19/61/533981961.db2.gz QXEDBOJTMYYEIK-OLMNPRSZSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368564342 533981968 /nfs/dbraw/zinc/98/19/68/533981968.db2.gz QXEDBOJTMYYEIK-OLMNPRSZSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000368564342 533981977 /nfs/dbraw/zinc/98/19/77/533981977.db2.gz QXEDBOJTMYYEIK-OLMNPRSZSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423350051 533983198 /nfs/dbraw/zinc/98/31/98/533983198.db2.gz WSELSMUJVDSMPO-DYVFJYSZSA-N 1 3 296.405 3.265 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)CN1CCCC1 ZINC000165307233 534077590 /nfs/dbraw/zinc/07/75/90/534077590.db2.gz UIAPADSEVIPLFU-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO c1ccc([C@H](NCC2C[NH2+]C2)C2CCCCC2)cc1 ZINC000423308784 534501916 /nfs/dbraw/zinc/50/19/16/534501916.db2.gz YJHYMPPQEOHGSD-KRWDZBQOSA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc([C@H]([NH2+]CC2CNC2)C2CCCCC2)cc1 ZINC000423308784 534501924 /nfs/dbraw/zinc/50/19/24/534501924.db2.gz YJHYMPPQEOHGSD-KRWDZBQOSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1cccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157437493 524362915 /nfs/dbraw/zinc/36/29/15/524362915.db2.gz OJWLMJMBVBFHKV-ROUUACIJSA-N 1 3 266.388 3.272 20 0 CGADHO Cc1cccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157437607 524363895 /nfs/dbraw/zinc/36/38/95/524363895.db2.gz OJWLMJMBVBFHKV-QZTJIDSGSA-N 1 3 266.388 3.272 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000150292915 524859769 /nfs/dbraw/zinc/85/97/69/524859769.db2.gz WJOSPBGXJTWXPN-FZMZJTMJSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000089215326 525426535 /nfs/dbraw/zinc/42/65/35/525426535.db2.gz FLNALZIUVDZQGE-CQSZACIVSA-N 1 3 275.440 3.322 20 0 CGADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@@H](C)CN ZINC000423374901 534864302 /nfs/dbraw/zinc/86/43/02/534864302.db2.gz UBHBFDQTLQSSPK-VHSXEESVSA-N 1 3 293.411 3.255 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423401085 534879583 /nfs/dbraw/zinc/87/95/83/534879583.db2.gz VTYWOUXQVVXUMN-CYZMBNFOSA-N 1 3 281.469 3.495 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000155871531 525938822 /nfs/dbraw/zinc/93/88/22/525938822.db2.gz VXDVRDQVVSTMGD-KGYLQXTDSA-N 1 3 252.427 3.190 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000155871531 525938831 /nfs/dbraw/zinc/93/88/31/525938831.db2.gz VXDVRDQVVSTMGD-KGYLQXTDSA-N 1 3 252.427 3.190 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424285683 526286915 /nfs/dbraw/zinc/28/69/15/526286915.db2.gz FBJGQIPAVZHMNP-HOCLYGCPSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(N)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423289114 527256932 /nfs/dbraw/zinc/25/69/32/527256932.db2.gz WGWKMCAJCZHSNV-KRWDZBQOSA-N 1 3 286.394 3.436 20 0 CGADHO CC(C)(N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423286431 527260315 /nfs/dbraw/zinc/26/03/15/527260315.db2.gz HEWVMLIXEMYLRY-ZDUSSCGKSA-N 1 3 286.341 3.483 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCN)cc1 ZINC000437793308 528209999 /nfs/dbraw/zinc/20/99/99/528209999.db2.gz CBCRTKFZPBUPBN-SJORKVTESA-N 1 3 276.424 3.048 20 0 CGADHO CC(C)CSCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423012734 528218271 /nfs/dbraw/zinc/21/82/71/528218271.db2.gz LFRGROAUARBWES-ARFHVFGLSA-N 1 3 284.513 3.276 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)[C@H]2CC2(C)C)C1 ZINC000414069912 528260891 /nfs/dbraw/zinc/26/08/91/528260891.db2.gz KSWXMUHVUXWXLE-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000414079186 528262685 /nfs/dbraw/zinc/26/26/85/528262685.db2.gz SOGXLDCJZPYMQO-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO CCC(C)(C)CCN1CCC([NH+]2CCCC2)CC1 ZINC000441179445 528503044 /nfs/dbraw/zinc/50/30/44/528503044.db2.gz DOSJEJMRFPVLMJ-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CCC(C)(C)CC[NH+]1CCC(N2CCCC2)CC1 ZINC000441179445 528503048 /nfs/dbraw/zinc/50/30/48/528503048.db2.gz DOSJEJMRFPVLMJ-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266981 528534192 /nfs/dbraw/zinc/53/41/92/528534192.db2.gz FAZXYLMRKPILLX-MFKMUULPSA-N 1 3 274.330 3.339 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423396373 528629765 /nfs/dbraw/zinc/62/97/65/528629765.db2.gz NTMWOOJVASOWAF-JKIFEVAISA-N 1 3 260.425 3.288 20 0 CGADHO CCCCOc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1OC ZINC000423224977 528690163 /nfs/dbraw/zinc/69/01/63/528690163.db2.gz KUZVSLMUCCMYSZ-KBPBESRZSA-N 1 3 294.439 3.262 20 0 CGADHO CCCOc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422994427 528752261 /nfs/dbraw/zinc/75/22/61/528752261.db2.gz VMSIVRCHQJYUBZ-FUHWJXTLSA-N 1 3 290.451 3.125 20 0 CGADHO CCOC[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000427868987 528976392 /nfs/dbraw/zinc/97/63/92/528976392.db2.gz RLZQGSOXKCNKHR-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423256913 529167959 /nfs/dbraw/zinc/16/79/59/529167959.db2.gz GPIUTRYCHCBQRH-MLGOLLRUSA-N 1 3 282.378 3.395 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423449563 529247754 /nfs/dbraw/zinc/24/77/54/529247754.db2.gz RUWORVHDVQKAED-WOPDTQHZSA-N 1 3 252.427 3.185 20 0 CGADHO CC(C)O[C@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1(C)C ZINC000477915032 534932349 /nfs/dbraw/zinc/93/23/49/534932349.db2.gz HLJSFSLLMRKZOS-HOTGVXAUSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)O[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000477915032 534932352 /nfs/dbraw/zinc/93/23/52/534932352.db2.gz HLJSFSLLMRKZOS-HOTGVXAUSA-N 1 3 296.499 3.290 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000481030615 534958675 /nfs/dbraw/zinc/95/86/75/534958675.db2.gz ASQALWUWDBDUMX-LBTNJELSSA-N 1 3 290.426 3.381 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553255 536472150 /nfs/dbraw/zinc/47/21/50/536472150.db2.gz XLXJOSNHGUFSDC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553255 536472154 /nfs/dbraw/zinc/47/21/54/536472154.db2.gz XLXJOSNHGUFSDC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553255 536472157 /nfs/dbraw/zinc/47/21/57/536472157.db2.gz XLXJOSNHGUFSDC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553255 536472158 /nfs/dbraw/zinc/47/21/58/536472158.db2.gz XLXJOSNHGUFSDC-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccoc1 ZINC000727465931 571748816 /nfs/dbraw/zinc/74/88/16/571748816.db2.gz POIXIFMRNSTTKC-CQSZACIVSA-N 1 3 250.386 3.024 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccoc1 ZINC000727465931 571748819 /nfs/dbraw/zinc/74/88/19/571748819.db2.gz POIXIFMRNSTTKC-CQSZACIVSA-N 1 3 250.386 3.024 20 0 CGADHO CSc1ccc([C@@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222939330 571890777 /nfs/dbraw/zinc/89/07/77/571890777.db2.gz GGXUGXYDTGTVSD-BNOWGMLFSA-N 1 3 264.438 3.329 20 0 CGADHO c1cc(CNCCCCCCC[NH+]2CCCC2)co1 ZINC000729681978 571928868 /nfs/dbraw/zinc/92/88/68/571928868.db2.gz DHRSRDNPZQKTPX-UHFFFAOYSA-N 1 3 264.413 3.416 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106398 618535158 /nfs/dbraw/zinc/53/51/58/618535158.db2.gz UWPDSXRGXCIPOQ-YJBOKZPZSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)cc2C)[C@@H](C)C1 ZINC000892106398 618535167 /nfs/dbraw/zinc/53/51/67/618535167.db2.gz UWPDSXRGXCIPOQ-YJBOKZPZSA-N 1 3 290.451 3.166 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC2(CCCOC)CCC2)C1 ZINC000892121161 618542073 /nfs/dbraw/zinc/54/20/73/618542073.db2.gz QHPLIIIMVIXOEQ-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC000892121161 618542077 /nfs/dbraw/zinc/54/20/77/618542077.db2.gz QHPLIIIMVIXOEQ-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892121161 618542083 /nfs/dbraw/zinc/54/20/83/618542083.db2.gz QHPLIIIMVIXOEQ-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC2(CCCOC)CCC2)C1 ZINC000892121160 618542682 /nfs/dbraw/zinc/54/26/82/618542682.db2.gz QHPLIIIMVIXOEQ-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC000892121160 618542687 /nfs/dbraw/zinc/54/26/87/618542687.db2.gz QHPLIIIMVIXOEQ-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892121160 618542693 /nfs/dbraw/zinc/54/26/93/618542693.db2.gz QHPLIIIMVIXOEQ-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1cccc(Br)c1 ZINC000019905672 618974185 /nfs/dbraw/zinc/97/41/85/618974185.db2.gz JPZLOZIKRFQCQD-UHFFFAOYSA-N 1 3 299.256 3.127 20 0 CGADHO CC1(C)C[C@@H](NCCc2cccc(F)c2F)C[C@@H]([NH3+])C1 ZINC000925598730 619080323 /nfs/dbraw/zinc/08/03/23/619080323.db2.gz UEYXDCWXGGFUOD-OLZOCXBDSA-N 1 3 282.378 3.003 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925717222 619163079 /nfs/dbraw/zinc/16/30/79/619163079.db2.gz ATHPPADEGGBFHN-ULQDDVLXSA-N 1 3 294.483 3.235 20 0 CGADHO C(C[C@@H]1CCCS1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925722524 619171665 /nfs/dbraw/zinc/17/16/65/619171665.db2.gz LRPUPWZGCSVEGM-JYJNAYRXSA-N 1 3 282.497 3.030 20 0 CGADHO CC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC(F)(F)C1 ZINC000925733849 619208563 /nfs/dbraw/zinc/20/85/63/619208563.db2.gz LOHIOBHNQBUAFW-ZIAGYGMSSA-N 1 3 286.410 3.180 20 0 CGADHO CSCCCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000235151853 619300223 /nfs/dbraw/zinc/30/02/23/619300223.db2.gz UARYVZVYFKWOOT-ZIAGYGMSSA-N 1 3 258.475 3.017 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2nccc3ccccc32)CCCC1 ZINC000894463746 619544926 /nfs/dbraw/zinc/54/49/26/619544926.db2.gz DFSXQWBPOXDSLH-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895291682 619796548 /nfs/dbraw/zinc/79/65/48/619796548.db2.gz AXEOFTUTHVAAMM-BRWVUGGUSA-N 1 3 289.467 3.346 20 0 CGADHO Cc1nc(CNC2CCC(C)([NH+]3CCC3)CC2)sc1C ZINC000896951361 620111859 /nfs/dbraw/zinc/11/18/59/620111859.db2.gz ODELOFUEYJYNJD-UHFFFAOYSA-N 1 3 293.480 3.257 20 0 CGADHO C[C@H](NCCC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925238881 620258038 /nfs/dbraw/zinc/25/80/38/620258038.db2.gz JCZBBVGESDJSNC-NSHDSACASA-N 1 3 274.330 3.351 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000897414478 620295492 /nfs/dbraw/zinc/29/54/92/620295492.db2.gz CYAQHXXCEKLBDE-FMKPAKJESA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000897414478 620295496 /nfs/dbraw/zinc/29/54/96/620295496.db2.gz CYAQHXXCEKLBDE-FMKPAKJESA-N 1 3 276.424 3.137 20 0 CGADHO [NH3+]CCc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000841034114 620414569 /nfs/dbraw/zinc/41/45/69/620414569.db2.gz WBMOQJHORNBDED-UHFFFAOYSA-N 1 3 292.785 3.270 20 0 CGADHO Cl/C=C/CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000898436098 620588100 /nfs/dbraw/zinc/58/81/00/620588100.db2.gz QWRXCQRHKIYFSN-FPYGCLRLSA-N 1 3 294.826 3.003 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1C ZINC000902405874 621291617 /nfs/dbraw/zinc/29/16/17/621291617.db2.gz PWSUKRDGWFKTNJ-ZBFHGGJFSA-N 1 3 290.451 3.432 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc3[nH]ccc32)C1 ZINC000902406002 621291954 /nfs/dbraw/zinc/29/19/54/621291954.db2.gz MZCRKVFETVBDSI-CQSZACIVSA-N 1 3 271.408 3.036 20 0 CGADHO [NH3+]CCCC[C@H](N[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000902393978 621303032 /nfs/dbraw/zinc/30/30/32/621303032.db2.gz TUOLGIBGRNDBJZ-GJZGRUSLSA-N 1 3 280.362 3.277 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000902402725 621306694 /nfs/dbraw/zinc/30/66/94/621306694.db2.gz CBVJWVBAJDTZEX-JHJVBQTASA-N 1 3 290.373 3.251 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452572 621330728 /nfs/dbraw/zinc/33/07/28/621330728.db2.gz LGZDDZLQHOVKKU-MYLCLEHYSA-N 1 3 294.389 3.318 20 0 CGADHO CC1(C)[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)[C@@H]2CCCN[C@@H]21 ZINC000902453877 621332055 /nfs/dbraw/zinc/33/20/55/621332055.db2.gz FLBOGXUEWZMTFD-RFQIPJPRSA-N 1 3 286.410 3.178 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCNC3)CC2)cc1 ZINC000902455761 621333954 /nfs/dbraw/zinc/33/39/54/621333954.db2.gz YYBATSJQGQYMRT-BRWVUGGUSA-N 1 3 258.409 3.054 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)O1 ZINC000902459542 621335938 /nfs/dbraw/zinc/33/59/38/621335938.db2.gz BYWVVLQPUZTEPG-DAXOMENPSA-N 1 3 274.408 3.069 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902484328 621353629 /nfs/dbraw/zinc/35/36/29/621353629.db2.gz VQGPKQWSFWEHKU-FRRDWIJNSA-N 1 3 278.362 3.229 20 0 CGADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CCOCC1 ZINC000902833143 621467231 /nfs/dbraw/zinc/46/72/31/621467231.db2.gz WQTUPRQEECLATD-KURKYZTESA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@@H](CC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151519 621611071 /nfs/dbraw/zinc/61/10/71/621611071.db2.gz HEVJHDVKGBRILV-CRMUJIHISA-N 1 3 290.373 3.465 20 0 CGADHO CC[C@@H](CC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151519 621611073 /nfs/dbraw/zinc/61/10/73/621611073.db2.gz HEVJHDVKGBRILV-CRMUJIHISA-N 1 3 290.373 3.465 20 0 CGADHO C[C@@H](CN(C)C[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730627 621797838 /nfs/dbraw/zinc/79/78/38/621797838.db2.gz YCPVNYNOYCLBBT-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@H](CCC1CCCC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972421 621843815 /nfs/dbraw/zinc/84/38/15/621843815.db2.gz IIQMQANSAFPBCA-NVXWUHKLSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCNC1)c1csc2ccccc12 ZINC000904484913 621926339 /nfs/dbraw/zinc/92/63/39/621926339.db2.gz QKAGSRKOXTYTCD-NWDGAFQWSA-N 1 3 260.406 3.304 20 0 CGADHO C[NH+](C)Cc1ccc(-c2ccc(F)c3c2CCNC3)s1 ZINC000904858262 622000408 /nfs/dbraw/zinc/00/04/08/622000408.db2.gz FPYKBDFTFZLVJN-UHFFFAOYSA-N 1 3 290.407 3.262 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000229574341 623145658 /nfs/dbraw/zinc/14/56/58/623145658.db2.gz IVWDLOQFSQSIPH-GDBMZVCRSA-N 1 3 278.415 3.077 20 0 CGADHO C[C@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)CN1CCCC1 ZINC000062078439 623199091 /nfs/dbraw/zinc/19/90/91/623199091.db2.gz QTGXLXMDLPKKSV-MXWWQKGMSA-N 1 3 290.426 3.393 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000921688724 625839883 /nfs/dbraw/zinc/83/98/83/625839883.db2.gz CLGYTBUJCWNAQY-OWCLPIDISA-N 1 3 284.513 3.371 20 0 CGADHO C[C@@H]1C[C@H](c2ccccc2)CN1CCC[NH2+]C1CC1 ZINC000923316202 626144570 /nfs/dbraw/zinc/14/45/70/626144570.db2.gz NJAKNSAPIQPOJB-ZBFHGGJFSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCNC1CC1 ZINC000923316202 626144573 /nfs/dbraw/zinc/14/45/73/626144573.db2.gz NJAKNSAPIQPOJB-ZBFHGGJFSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCNC1CC1 ZINC000923316202 626144574 /nfs/dbraw/zinc/14/45/74/626144574.db2.gz NJAKNSAPIQPOJB-ZBFHGGJFSA-N 1 3 258.409 3.007 20 0 CGADHO Cc1ncc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923509007 626160168 /nfs/dbraw/zinc/16/01/68/626160168.db2.gz YHQLVRIPCLQDBS-AWEZNQCLSA-N 1 3 293.480 3.053 20 0 CGADHO CC[NH+](CC)[C@H](C)CNc1ccnc2cc(OC)ccc21 ZINC000765470292 627251319 /nfs/dbraw/zinc/25/13/19/627251319.db2.gz YYMBTYSQWJQQEL-CYBMUJFWSA-N 1 3 287.407 3.386 20 0 CGADHO CCc1noc(C)c1[C@H](C)NCCC1CC[NH+](CC)CC1 ZINC000769871090 627585413 /nfs/dbraw/zinc/58/54/13/627585413.db2.gz CIDNYEFVWKLLRB-ZDUSSCGKSA-N 1 3 293.455 3.318 20 0 CGADHO C[C@@H](NCCCCCCC[NH+]1CCCC1)c1nccn1C ZINC000775384793 628087842 /nfs/dbraw/zinc/08/78/42/628087842.db2.gz GTKUDQCYQFRDFV-MRXNPFEDSA-N 1 3 292.471 3.117 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292987 628479480 /nfs/dbraw/zinc/47/94/80/628479480.db2.gz OZIMITGKCBVTFE-MJGOQNOKSA-N 1 3 298.474 3.380 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292987 628479484 /nfs/dbraw/zinc/47/94/84/628479484.db2.gz OZIMITGKCBVTFE-MJGOQNOKSA-N 1 3 298.474 3.380 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000793335219 629444986 /nfs/dbraw/zinc/44/49/86/629444986.db2.gz DWHQPHZNNOKTEC-NNGSBXSVSA-N 1 3 290.426 3.363 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000817888409 632229200 /nfs/dbraw/zinc/22/92/00/632229200.db2.gz LINOHRWKXUWDCM-IAGOWNOFSA-N 1 3 276.424 3.223 20 0 CGADHO C[C@@H](NCC[C@]1(C)CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000817936145 632237109 /nfs/dbraw/zinc/23/71/09/632237109.db2.gz HATZIIHJIKYNIW-GRYCIOLGSA-N 1 3 279.255 3.081 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1C ZINC000817968291 632261093 /nfs/dbraw/zinc/26/10/93/632261093.db2.gz JBOIQFDVMWJPTQ-GJZGRUSLSA-N 1 3 276.424 3.105 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000866450525 633139648 /nfs/dbraw/zinc/13/96/48/633139648.db2.gz VRSPRJKSPAUKHW-UONOGXRCSA-N 1 3 256.409 3.120 20 0 CGADHO Cl/C=C/CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121659112 633250276 /nfs/dbraw/zinc/25/02/76/633250276.db2.gz QYPQOBNIIUOWBI-XBXARRHUSA-N 1 3 270.848 3.327 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000872041586 633964279 /nfs/dbraw/zinc/96/42/79/633964279.db2.gz UUZSMLLLEWMPEA-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCOC2(CCCC2)C1)CN1CCCC1 ZINC000872067225 633989863 /nfs/dbraw/zinc/98/98/63/633989863.db2.gz VWWQPIQXUCCKTE-MRXNPFEDSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2nccc3ccccc32)C1 ZINC000873223069 634291255 /nfs/dbraw/zinc/29/12/55/634291255.db2.gz HOBGQCYCOVNUJF-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO [NH3+][C@H](C[C@@H]1CCCN(Cc2cncs2)C1)C1CCCC1 ZINC000873232460 634294323 /nfs/dbraw/zinc/29/43/23/634294323.db2.gz QEEREOZHSBTEFI-XJKSGUPXSA-N 1 3 293.480 3.263 20 0 CGADHO C[C@@H](CCC(F)(F)F)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238417 634296980 /nfs/dbraw/zinc/29/69/80/634296980.db2.gz ZSQTZIYBKIIZCA-WDEREUQCSA-N 1 3 266.351 3.085 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2N)s1 ZINC000873282577 634316147 /nfs/dbraw/zinc/31/61/47/634316147.db2.gz VNCHGBWEHZATJZ-RYUDHWBXSA-N 1 3 252.427 3.015 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)SC)C1 ZINC000876775569 634897682 /nfs/dbraw/zinc/89/76/82/634897682.db2.gz YJESTQOAXNFRRU-AWEZNQCLSA-N 1 3 272.502 3.182 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876775569 634897687 /nfs/dbraw/zinc/89/76/87/634897687.db2.gz YJESTQOAXNFRRU-AWEZNQCLSA-N 1 3 272.502 3.182 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000841055512 635115330 /nfs/dbraw/zinc/11/53/30/635115330.db2.gz OVYHXYPULNNNMZ-UONOGXRCSA-N 1 3 298.377 3.264 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000841090393 635121240 /nfs/dbraw/zinc/12/12/40/635121240.db2.gz OOPAXCFQPLCLKB-UPJWGTAASA-N 1 3 290.373 3.372 20 0 CGADHO C[C@]1(CN2CCC(c3cc4ccccc4[nH]3)CC2)CC[NH2+]C1 ZINC000843060751 635555799 /nfs/dbraw/zinc/55/57/99/635555799.db2.gz OMWXNAYZGGXNPC-IBGZPJMESA-N 1 3 297.446 3.347 20 0 CGADHO CC(C)(N)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119124 635560567 /nfs/dbraw/zinc/56/05/67/635560567.db2.gz DYCVTKDFGLAGBO-LBPRGKRZSA-N 1 3 286.341 3.232 20 0 CGADHO CC(C)(N)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119124 635560571 /nfs/dbraw/zinc/56/05/71/635560571.db2.gz DYCVTKDFGLAGBO-LBPRGKRZSA-N 1 3 286.341 3.232 20 0 CGADHO Cc1cncc([C@H]2CCC[N@H+]2CC[C@H]2CCCN2C)c1 ZINC000879749747 635852639 /nfs/dbraw/zinc/85/26/39/635852639.db2.gz KYCNBXLUCWEOKG-IAGOWNOFSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cncc([C@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)c1 ZINC000879749747 635852640 /nfs/dbraw/zinc/85/26/40/635852640.db2.gz KYCNBXLUCWEOKG-IAGOWNOFSA-N 1 3 273.424 3.011 20 0 CGADHO CCC1([NH+]2CCCCC2)CCN([C@@H]2CCO[C@H](C)C2)CC1 ZINC000880254913 635957946 /nfs/dbraw/zinc/95/79/46/635957946.db2.gz SDUJYHHTAMHABH-IAGOWNOFSA-N 1 3 294.483 3.284 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000844924416 635985794 /nfs/dbraw/zinc/98/57/94/635985794.db2.gz QEQGTOYABXXUCV-LKTVYLICSA-N 1 3 299.821 3.204 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844924409 635986249 /nfs/dbraw/zinc/98/62/49/635986249.db2.gz LIXAJJBZWWLWIP-SDDRHHMPSA-N 1 3 279.255 3.068 20 0 CGADHO CCCN1CCC[C@H]1CNC(=[NH2+])Nc1cccc(CC)c1 ZINC000849027721 636722180 /nfs/dbraw/zinc/72/21/80/636722180.db2.gz IUONZORQEXAJRL-INIZCTEOSA-N 1 3 288.439 3.060 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883428030 636751744 /nfs/dbraw/zinc/75/17/44/636751744.db2.gz JWKKTANCHMXXHH-BZSNNMDCSA-N 1 3 288.435 3.110 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@H]3CCC[C@@H](N(C)C)C3)[nH]c2c1 ZINC000850175029 636973826 /nfs/dbraw/zinc/97/38/26/636973826.db2.gz VBTLRWMFBPZIHD-DOTOQJQBSA-N 1 3 285.435 3.439 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000222928615 637834036 /nfs/dbraw/zinc/83/40/36/637834036.db2.gz HFQGYZLRWPQFQM-CYZMBNFOSA-N 1 3 284.350 3.209 20 0 CGADHO CCOc1cccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000854230166 638029012 /nfs/dbraw/zinc/02/90/12/638029012.db2.gz IJRLMOKVQVDECT-XJKSGUPXSA-N 1 3 264.413 3.109 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924571388 638364750 /nfs/dbraw/zinc/36/47/50/638364750.db2.gz FYMUGYXKLGRQIC-YJBOKZPZSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000924572541 638366284 /nfs/dbraw/zinc/36/62/84/638366284.db2.gz RSSXJBKOCICXNO-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924618397 638378167 /nfs/dbraw/zinc/37/81/67/638378167.db2.gz ZIRRZXAAYXCUNM-AEFFLSMTSA-N 1 3 289.467 3.113 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCNc2ccccc2)CC1 ZINC000925231840 638481854 /nfs/dbraw/zinc/48/18/54/638481854.db2.gz KCRUZMIWNMFDHT-UHFFFAOYSA-N 1 3 289.467 3.199 20 0 CGADHO COc1cccc([C@H](C)N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484817 638510077 /nfs/dbraw/zinc/51/00/77/638510077.db2.gz JPQMWIMWFHSMRV-AEGPPILISA-N 1 3 276.424 3.252 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCSc2ccc(Cl)cc2)C12CCC2 ZINC000925516977 638516901 /nfs/dbraw/zinc/51/69/01/638516901.db2.gz VTAJJYYNOSIBEZ-UONOGXRCSA-N 1 3 296.867 3.292 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925704186 638572676 /nfs/dbraw/zinc/57/26/76/638572676.db2.gz CAGHHYUCODHRHX-GBESFXJTSA-N 1 3 299.462 3.014 20 0 CGADHO FC1CCC(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925713821 638576318 /nfs/dbraw/zinc/57/63/18/638576318.db2.gz UTSPTIQTFUQXGU-BNICSPFPSA-N 1 3 282.447 3.273 20 0 CGADHO C[N@H+](CCCN[C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846872 638576504 /nfs/dbraw/zinc/57/65/04/638576504.db2.gz RBOIGBOWLNEXHG-MRXNPFEDSA-N 1 3 290.455 3.031 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846872 638576511 /nfs/dbraw/zinc/57/65/11/638576511.db2.gz RBOIGBOWLNEXHG-MRXNPFEDSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857847817 638577171 /nfs/dbraw/zinc/57/71/71/638577171.db2.gz ZCDJXPBWXQFIMY-GDBMZVCRSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857847817 638577175 /nfs/dbraw/zinc/57/71/75/638577175.db2.gz ZCDJXPBWXQFIMY-GDBMZVCRSA-N 1 3 290.455 3.031 20 0 CGADHO c1cncc(C[C@@H]([NH2+][C@H]2CCNC23CCC3)C2CCCC2)c1 ZINC000925728595 638583998 /nfs/dbraw/zinc/58/39/98/638583998.db2.gz LHNYLTOSVNQEQZ-MSOLQXFVSA-N 1 3 299.462 3.057 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC000925734179 638587337 /nfs/dbraw/zinc/58/73/37/638587337.db2.gz NXJGADDBWOASNP-LBPRGKRZSA-N 1 3 273.424 3.080 20 0 CGADHO C(C[C@@H]1C[C@H]1C1CC1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925803309 638617860 /nfs/dbraw/zinc/61/78/60/638617860.db2.gz XGCNDSOCHFFYAP-OWSLCNJRSA-N 1 3 276.468 3.181 20 0 CGADHO COc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000925829248 638625816 /nfs/dbraw/zinc/62/58/16/638625816.db2.gz NNUIBKMFNWFWCJ-LZWOXQAQSA-N 1 3 276.424 3.042 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCCOC(C)C)CC1 ZINC000926129470 638716177 /nfs/dbraw/zinc/71/61/77/638716177.db2.gz DHNIMSYIFBBQCB-UHFFFAOYSA-N 1 3 284.488 3.292 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000858490755 638740999 /nfs/dbraw/zinc/74/09/99/638740999.db2.gz NLSKIMVMUYEXNG-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](NC1CC(F)(F)C1)c1cccc(C[NH+](C)C)c1 ZINC000926285961 638759053 /nfs/dbraw/zinc/75/90/53/638759053.db2.gz VUCHHYBIWWFPPR-NSHDSACASA-N 1 3 268.351 3.197 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000926737916 638805139 /nfs/dbraw/zinc/80/51/39/638805139.db2.gz HNKWCFFTXLWMOW-WTTBNOFXSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)s1 ZINC000084219274 640606845 /nfs/dbraw/zinc/60/68/45/640606845.db2.gz PIEROYBWDCTATD-IVZWLZJFSA-N 1 3 258.818 3.180 20 0 CGADHO c1cc2c(cc[nH+]c2NCC2CN(Cc3ccccc3)C2)[nH]1 ZINC001156400292 805683121 /nfs/dbraw/zinc/68/31/21/805683121.db2.gz IFEIYFUWAAQOAH-UHFFFAOYSA-N 1 3 292.386 3.107 20 0 CGADHO CCCC[NH+](CCCC)CCCNC[C@@H](O)CCC ZINC001252799318 806121980 /nfs/dbraw/zinc/12/19/80/806121980.db2.gz PTDZEFXRSBMORE-INIZCTEOSA-N 1 3 272.477 3.029 20 0 CGADHO CCCCC1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253408312 806216373 /nfs/dbraw/zinc/21/63/73/806216373.db2.gz BQTKRSVJVIBRSX-GPANFISMSA-N 1 3 284.488 3.074 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CCC[N@H+](C)CC1)CCC2 ZINC001254515281 806437031 /nfs/dbraw/zinc/43/70/31/806437031.db2.gz VFZXAZKQTURDQZ-MAUKXSAKSA-N 1 3 288.435 3.147 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CCC[N@@H+](C)CC1)CCC2 ZINC001254515281 806437033 /nfs/dbraw/zinc/43/70/33/806437033.db2.gz VFZXAZKQTURDQZ-MAUKXSAKSA-N 1 3 288.435 3.147 20 0 CGADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC001255274729 806589445 /nfs/dbraw/zinc/58/94/45/806589445.db2.gz PHQVLQYHMAQHIG-MRXNPFEDSA-N 1 3 282.497 3.126 20 0 CGADHO C(C1CCCCC1)[NH+]1CCC(N[C@@H]2CCSC2)CC1 ZINC001255274729 806589451 /nfs/dbraw/zinc/58/94/51/806589451.db2.gz PHQVLQYHMAQHIG-MRXNPFEDSA-N 1 3 282.497 3.126 20 0 CGADHO CCN(C)C1CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC001255308879 806603925 /nfs/dbraw/zinc/60/39/25/806603925.db2.gz GVIMGKPTRWZFEU-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC[N@H+](C)C1CCN(C2CCC(C)(C)CC2)CC1 ZINC001255308879 806603930 /nfs/dbraw/zinc/60/39/30/806603930.db2.gz GVIMGKPTRWZFEU-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC[N@@H+](C)C1CCN(C2CCC(C)(C)CC2)CC1 ZINC001255308879 806603936 /nfs/dbraw/zinc/60/39/36/806603936.db2.gz GVIMGKPTRWZFEU-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO c1ccc(CN2CCC[C@H]([NH2+]Cc3cccnc3)CC2)cc1 ZINC001255380038 806628705 /nfs/dbraw/zinc/62/87/05/806628705.db2.gz ZLVKSWNGBIAOHT-IBGZPJMESA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H]([NH3+])c1ccc2c(ccn2-c2nccc3c2CCN3)c1 ZINC001162900161 806682055 /nfs/dbraw/zinc/68/20/55/806682055.db2.gz UMOPJHYTBDKLSM-LLVKDONJSA-N 1 3 278.359 3.013 20 0 CGADHO CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000043814395 798888863 /nfs/dbraw/zinc/88/88/63/798888863.db2.gz DDAHLVUJOILHIR-AWEZNQCLSA-N 1 3 276.424 3.352 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC001255669153 806700482 /nfs/dbraw/zinc/70/04/82/806700482.db2.gz QTRKXCLGKPIQEY-HNSVSWJLSA-N 1 3 273.424 3.056 20 0 CGADHO CC(C)c1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163415569 799082096 /nfs/dbraw/zinc/08/20/96/799082096.db2.gz NHGNWUOSXAAMCH-PBHICJAKSA-N 1 3 260.425 3.227 20 0 CGADHO C[C@H]1CCN(Cc2c[nH]c3cc(Cl)ccc23)C[C@@H]1C[NH3+] ZINC000163385973 799082188 /nfs/dbraw/zinc/08/21/88/799082188.db2.gz AUDZFHDVXWIJIQ-RYUDHWBXSA-N 1 3 291.826 3.238 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NCCC[NH+]1CCCC1 ZINC001255726318 806722272 /nfs/dbraw/zinc/72/22/72/806722272.db2.gz MASGVAAXHPOFLM-CQSZACIVSA-N 1 3 296.455 3.382 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)[NH2+]CCCN1CCCC1 ZINC001255726318 806722280 /nfs/dbraw/zinc/72/22/80/806722280.db2.gz MASGVAAXHPOFLM-CQSZACIVSA-N 1 3 296.455 3.382 20 0 CGADHO Cc1csc(C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000379019921 799346840 /nfs/dbraw/zinc/34/68/40/799346840.db2.gz AXSPZUWWMXKBSL-UHFFFAOYSA-N 1 3 266.454 3.267 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000383997643 799411562 /nfs/dbraw/zinc/41/15/62/799411562.db2.gz KIMYTSIFYLLKRW-ZDUSSCGKSA-N 1 3 286.341 3.266 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCNCC1(C)C ZINC000388641811 799455070 /nfs/dbraw/zinc/45/50/70/799455070.db2.gz KHQOKRUOKFKTOO-SWLSCSKDSA-N 1 3 280.843 3.249 20 0 CGADHO Cc1scc(C[NH2+]CCCN2CCCCC2)c1C ZINC000399914118 799543494 /nfs/dbraw/zinc/54/34/94/799543494.db2.gz HHIQJCCYCMZLLO-UHFFFAOYSA-N 1 3 266.454 3.331 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000403517473 799567207 /nfs/dbraw/zinc/56/72/07/799567207.db2.gz OUARSEBKWMBDHR-RVCNKRDISA-N 1 3 274.433 3.147 20 0 CGADHO Cc1ccc(C[C@@H](C)N2CCC([NH+]3CCC3)CC2)cc1 ZINC001255796500 806757583 /nfs/dbraw/zinc/75/75/83/806757583.db2.gz XQZVLNLBJIQKRP-MRXNPFEDSA-N 1 3 272.436 3.096 20 0 CGADHO c1c(C[N@@H+]2CCC[C@@H]2C2CCC2)sc2c1CNCC2 ZINC000688300318 799747137 /nfs/dbraw/zinc/74/71/37/799747137.db2.gz CDSRWJBVJTZUHC-OAHLLOKOSA-N 1 3 276.449 3.158 20 0 CGADHO c1c(C[N@H+]2CCC[C@@H]2C2CCC2)sc2c1CNCC2 ZINC000688300318 799747140 /nfs/dbraw/zinc/74/71/40/799747140.db2.gz CDSRWJBVJTZUHC-OAHLLOKOSA-N 1 3 276.449 3.158 20 0 CGADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@H]1C1CCCCC1 ZINC000688809910 799756429 /nfs/dbraw/zinc/75/64/29/799756429.db2.gz SLSKZGIHBBYGCZ-STQMWFEESA-N 1 3 260.372 3.014 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)CC(C)(C)C1 ZINC000708767102 799993628 /nfs/dbraw/zinc/99/36/28/799993628.db2.gz MXNKRGGULGKBBT-SOUVJXGZSA-N 1 3 252.446 3.275 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NC1(Cc2ccccn2)CCC1 ZINC001255951971 806795796 /nfs/dbraw/zinc/79/57/96/806795796.db2.gz LOGJCBDCZMZPMT-MRXNPFEDSA-N 1 3 289.467 3.257 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1(Cc2ccccn2)CCC1 ZINC001255951971 806795799 /nfs/dbraw/zinc/79/57/99/806795799.db2.gz LOGJCBDCZMZPMT-MRXNPFEDSA-N 1 3 289.467 3.257 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001255958200 806799932 /nfs/dbraw/zinc/79/99/32/806799932.db2.gz ZKYLMLQIAPYRQN-XHSDSOJGSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001255958200 806799935 /nfs/dbraw/zinc/79/99/35/806799935.db2.gz ZKYLMLQIAPYRQN-XHSDSOJGSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@@H](NC1CCC(C)([NH+](C)C)CC1)c1nccs1 ZINC000715526565 800137952 /nfs/dbraw/zinc/13/79/52/800137952.db2.gz IEJFJEITZCZNHT-LKSINWNRSA-N 1 3 267.442 3.057 20 0 CGADHO CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716709502 800178813 /nfs/dbraw/zinc/17/88/13/800178813.db2.gz AAKNUJSVYUBVLJ-BBWFWOEESA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000821991280 800458850 /nfs/dbraw/zinc/45/88/50/800458850.db2.gz SNUKILOEOJJOHR-WWLWXNKGSA-N 1 3 276.468 3.321 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCN1C ZINC000822123880 800459552 /nfs/dbraw/zinc/45/95/52/800459552.db2.gz GURIPYNJWOZIJQ-IRXDYDNUSA-N 1 3 260.425 3.082 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256145059 806834051 /nfs/dbraw/zinc/83/40/51/806834051.db2.gz WBSUWBIKNIFHLX-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO CC(C)CC[C@@H](C)N1CCC([NH3+])(c2cccnc2)CC1 ZINC001256359616 806866211 /nfs/dbraw/zinc/86/62/11/806866211.db2.gz TYKYYGRVLYNJIW-OAHLLOKOSA-N 1 3 275.440 3.156 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371006 806873455 /nfs/dbraw/zinc/87/34/55/806873455.db2.gz FCVSUGFQJOHWKF-HRCADAONSA-N 1 3 252.446 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CCC(C)C)C[C@@H]2C1 ZINC001256371006 806873460 /nfs/dbraw/zinc/87/34/60/806873460.db2.gz FCVSUGFQJOHWKF-HRCADAONSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](N)c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521117 806909678 /nfs/dbraw/zinc/90/96/78/806909678.db2.gz ZUNCAQTVRVPOEB-HLLBOEOZSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1nccn1[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521117 806909682 /nfs/dbraw/zinc/90/96/82/806909682.db2.gz ZUNCAQTVRVPOEB-HLLBOEOZSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118263520 802543418 /nfs/dbraw/zinc/54/34/18/802543418.db2.gz ILJZHZSCXRVJBK-CYBMUJFWSA-N 1 3 294.389 3.491 20 0 CGADHO FC(F)(F)CC1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[NH2+]C1 ZINC001119683826 802691466 /nfs/dbraw/zinc/69/14/66/802691466.db2.gz HUSPVNWCJWMOLG-FUDCBSFHSA-N 1 3 290.373 3.181 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3ccc(Cl)o3)C[C@H]2C1 ZINC001119988142 802720490 /nfs/dbraw/zinc/72/04/90/802720490.db2.gz FUBNPOGDZKLQMR-YNEHKIRRSA-N 1 3 282.815 3.095 20 0 CGADHO C(=C/C1CC[NH2+]CC1)\c1cc(N2CCCCC2)ccn1 ZINC001243893992 803064661 /nfs/dbraw/zinc/06/46/61/803064661.db2.gz XWNPLGQTNKXAJM-SNAWJCMRSA-N 1 3 271.408 3.085 20 0 CGADHO CCSc1ccccc1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812213 813443955 /nfs/dbraw/zinc/44/39/55/813443955.db2.gz YFAHOHBDPCYBRQ-KBPBESRZSA-N 1 3 278.465 3.358 20 0 CGADHO CN(C)/C=C/c1ccncc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001245912297 804039791 /nfs/dbraw/zinc/03/97/91/804039791.db2.gz UTNLYWXUELQKFU-ZRDIBKRKSA-N 1 3 281.403 3.475 20 0 CGADHO CCCCC[C@@H]([NH2+]C[C@]1(O)CCCNC1)c1ccccc1 ZINC001246016068 804097557 /nfs/dbraw/zinc/09/75/57/804097557.db2.gz FHULXMMTSCBSPH-MSOLQXFVSA-N 1 3 290.451 3.012 20 0 CGADHO CC(C)Oc1cccc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001138985787 804100084 /nfs/dbraw/zinc/10/00/84/804100084.db2.gz IMVHMKOKCBIXHG-UHFFFAOYSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246065231 804106154 /nfs/dbraw/zinc/10/61/54/804106154.db2.gz KBMBYKOARJXUQT-KBXIAJHMSA-N 1 3 252.446 3.321 20 0 CGADHO c1ccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246072010 804110419 /nfs/dbraw/zinc/11/04/19/804110419.db2.gz NWGWLWXPAFLIGV-RBUKOAKNSA-N 1 3 280.415 3.140 20 0 CGADHO Fc1cccc(CCN[C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246073545 804111824 /nfs/dbraw/zinc/11/18/24/804111824.db2.gz GFWQTZZWVPDPJH-KRWDZBQOSA-N 1 3 290.426 3.413 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)NCC1([NH3+])CCCC1 ZINC001246074125 804112577 /nfs/dbraw/zinc/11/25/77/804112577.db2.gz CLOIVWGJASYAQM-NSHDSACASA-N 1 3 284.806 3.271 20 0 CGADHO CC[C@@H]1CC(NCCc2ccccc2C)C[C@@H](CC)[NH2+]1 ZINC001246076441 804113484 /nfs/dbraw/zinc/11/34/84/804113484.db2.gz OYGBBQQHPQWDLV-IAGOWNOFSA-N 1 3 274.452 3.436 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccccc2)CC[NH2+]1 ZINC001246092350 804123516 /nfs/dbraw/zinc/12/35/16/804123516.db2.gz AOCRLJHTVSILTM-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)CCN1 ZINC001246092350 804123520 /nfs/dbraw/zinc/12/35/20/804123520.db2.gz AOCRLJHTVSILTM-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NCC(C)(C)[NH3+] ZINC001246099503 804131136 /nfs/dbraw/zinc/13/11/36/804131136.db2.gz IFSHMTAWNKIOEA-VIFPVBQESA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@@]1(C)CCC[NH2+]CC1 ZINC001246102853 804134714 /nfs/dbraw/zinc/13/47/14/804134714.db2.gz TXYZHGJQIKQRPY-CJNGLKHVSA-N 1 3 296.455 3.428 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246103362 804136681 /nfs/dbraw/zinc/13/66/81/804136681.db2.gz YQNHFCRJHMTKAY-IAGOWNOFSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)CCC[C@@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246113353 804144736 /nfs/dbraw/zinc/14/47/36/804144736.db2.gz NYSSLOQTPBDXNC-CABCVRRESA-N 1 3 258.425 3.273 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C1(C)CCNCC1 ZINC001246127721 804154871 /nfs/dbraw/zinc/15/48/71/804154871.db2.gz MSFIIPOSXUKRFF-QGZVFWFLSA-N 1 3 274.452 3.376 20 0 CGADHO C[NH2+]CC[C@@H](C)NCCc1cccc(Cl)c1Cl ZINC001246158472 804173811 /nfs/dbraw/zinc/17/38/11/804173811.db2.gz LNERUEDJGKNNCH-SNVBAGLBSA-N 1 3 275.223 3.124 20 0 CGADHO Cc1ccc(F)c(CNC2CCC3(C[NH2+]C3)CC2)c1Cl ZINC001246157274 804173955 /nfs/dbraw/zinc/17/39/55/804173955.db2.gz BUTBLGGOWZOBOA-UHFFFAOYSA-N 1 3 296.817 3.409 20 0 CGADHO CCC[C@@H](CCc1ccccc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246172488 804188046 /nfs/dbraw/zinc/18/80/46/804188046.db2.gz HJOZLHSFQFGOQY-ZWKOTPCHSA-N 1 3 292.442 3.469 20 0 CGADHO C[C@H]1CC(NCCSCc2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246175703 804191110 /nfs/dbraw/zinc/19/11/10/804191110.db2.gz VKMNCYBEAJFWBJ-STQMWFEESA-N 1 3 296.455 3.178 20 0 CGADHO C[C@H]1CC([NH2+]CCSCc2ccc(F)cc2)C[C@H](C)N1 ZINC001246175703 804191115 /nfs/dbraw/zinc/19/11/15/804191115.db2.gz VKMNCYBEAJFWBJ-STQMWFEESA-N 1 3 296.455 3.178 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246179059 804192535 /nfs/dbraw/zinc/19/25/35/804192535.db2.gz ZHXRXRDIPMONCD-CABCVRRESA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246179274 804193405 /nfs/dbraw/zinc/19/34/05/804193405.db2.gz LMBQPZOGKCOCSP-XTVKIAIDSA-N 1 3 262.441 3.075 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246233445 804225508 /nfs/dbraw/zinc/22/55/08/804225508.db2.gz KHKRGFUJYSJANX-LEUOFYLZSA-N 1 3 272.436 3.443 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H](C)C2CCCC2)CCN1 ZINC001246242419 804234210 /nfs/dbraw/zinc/23/42/10/804234210.db2.gz IDIVIWKFAMDIPA-NUEKZKHPSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+]CC(C)(C)CN)cc1 ZINC001246250576 804238111 /nfs/dbraw/zinc/23/81/11/804238111.db2.gz QITYLPDVCQQRMX-ZDUSSCGKSA-N 1 3 266.454 3.050 20 0 CGADHO Cc1ccc(SC[C@H](C)NCC(C)(C)C[NH3+])cc1 ZINC001246250576 804238118 /nfs/dbraw/zinc/23/81/18/804238118.db2.gz QITYLPDVCQQRMX-ZDUSSCGKSA-N 1 3 266.454 3.050 20 0 CGADHO C[C@H](Cc1ccccc1Br)NCCC(C)(C)[NH3+] ZINC001246272344 804250352 /nfs/dbraw/zinc/25/03/52/804250352.db2.gz KSZSODXEYORXKC-LLVKDONJSA-N 1 3 299.256 3.097 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+][C@]1(CCO)CCNC1 ZINC001246295515 804263633 /nfs/dbraw/zinc/26/36/33/804263633.db2.gz OTAAPPKQZDKSKX-IRXDYDNUSA-N 1 3 284.488 3.220 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c(C)cc(O)cc1C ZINC001139715304 804264449 /nfs/dbraw/zinc/26/44/49/804264449.db2.gz GLZVIYDOICDJFQ-UHFFFAOYSA-N 1 3 278.440 3.173 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@H](C)CSc1ccc(C)cc1 ZINC001246309043 804271936 /nfs/dbraw/zinc/27/19/36/804271936.db2.gz TXQLXVNHPHDEMA-ZIAGYGMSSA-N 1 3 266.454 3.193 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246329750 804284386 /nfs/dbraw/zinc/28/43/86/804284386.db2.gz SMWALYZWBSEJDG-KBAYOESNSA-N 1 3 274.452 3.374 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@@H]2CC23CCCC3)CC[NH2+]1 ZINC001246336187 804291559 /nfs/dbraw/zinc/29/15/59/804291559.db2.gz TYKWAURFAHCHLZ-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO CCCCC1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3)CC1 ZINC001246338271 804293418 /nfs/dbraw/zinc/29/34/18/804293418.db2.gz BKLZKNXXVIFRFT-MSJJKYGJSA-N 1 3 262.441 3.384 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246371178 804308584 /nfs/dbraw/zinc/30/85/84/804308584.db2.gz IEBSVIAYPIBMSV-MRXNPFEDSA-N 1 3 274.452 3.436 20 0 CGADHO CC[C@@H](N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(C)cc1C ZINC001246375758 804310254 /nfs/dbraw/zinc/31/02/54/804310254.db2.gz KOKIZFYIJWKPIS-ZMSDIMECSA-N 1 3 260.425 3.485 20 0 CGADHO C[C@H]1CC([NH2+]C2(CC3CC3)CCNCC2)C[C@H](C)C1 ZINC001246380095 804313164 /nfs/dbraw/zinc/31/31/64/804313164.db2.gz DHNMXEDCJNIRGA-ZIAGYGMSSA-N 1 3 264.457 3.323 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+]C1(CCOC)CCNCC1 ZINC001246384729 804316051 /nfs/dbraw/zinc/31/60/51/804316051.db2.gz AQCRCDWEZRQDOY-MRXNPFEDSA-N 1 3 284.488 3.484 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)C[C@H](C)N1 ZINC001246386064 804316536 /nfs/dbraw/zinc/31/65/36/804316536.db2.gz DCBJIGDPPLCGAJ-XOIINTDNSA-N 1 3 290.426 3.410 20 0 CGADHO CC1(C)CC[C@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246427626 804330101 /nfs/dbraw/zinc/33/01/01/804330101.db2.gz DTNWCTOMCINLDO-INIZCTEOSA-N 1 3 272.436 3.434 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430702 804330508 /nfs/dbraw/zinc/33/05/08/804330508.db2.gz HJTMHBUAWIFBBB-HZPDHXFCSA-N 1 3 264.457 3.467 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246440076 804333336 /nfs/dbraw/zinc/33/33/36/804333336.db2.gz QYLYENFYPSJDOA-HNNXBMFYSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H]1C[C@@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246438529 804334078 /nfs/dbraw/zinc/33/40/78/804334078.db2.gz JJGNBHADGVZBTL-CVEARBPZSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246438529 804334085 /nfs/dbraw/zinc/33/40/85/804334085.db2.gz JJGNBHADGVZBTL-CVEARBPZSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@]1([NH2+]C2CCC(C(C)(C)C)CC2)CCNC1 ZINC001246457177 804338449 /nfs/dbraw/zinc/33/84/49/804338449.db2.gz CYBATSORSUVGDK-ZBCRRDGASA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246461957 804342082 /nfs/dbraw/zinc/34/20/82/804342082.db2.gz QOEUGKAWPCDELJ-ZACQAIPSSA-N 1 3 260.425 3.113 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246461957 804342092 /nfs/dbraw/zinc/34/20/92/804342092.db2.gz QOEUGKAWPCDELJ-ZACQAIPSSA-N 1 3 260.425 3.113 20 0 CGADHO CC1(C)C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)CCN1 ZINC001246466140 804346829 /nfs/dbraw/zinc/34/68/29/804346829.db2.gz MOUGQKUBUWCTNL-HZPDHXFCSA-N 1 3 272.436 3.227 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@H]1CC[NH2+]CC12CC2 ZINC001246472705 804349175 /nfs/dbraw/zinc/34/91/75/804349175.db2.gz ILNURTDXAKFSGM-ABAIWWIYSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCNCC12CC2 ZINC001246472705 804349182 /nfs/dbraw/zinc/34/91/82/804349182.db2.gz ILNURTDXAKFSGM-ABAIWWIYSA-N 1 3 296.817 3.142 20 0 CGADHO CCCC[C@@H]1C[C@H](NC[C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246472534 804349531 /nfs/dbraw/zinc/34/95/31/804349531.db2.gz GUUBIVKPRDCBSO-BZUAXINKSA-N 1 3 287.451 3.096 20 0 CGADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1cc(C)cc(C)c1 ZINC001246472894 804351332 /nfs/dbraw/zinc/35/13/32/804351332.db2.gz FWNCCXMQVIPFJB-IRXDYDNUSA-N 1 3 260.425 3.486 20 0 CGADHO CC[C@@H]1C[C@@H](NC[C@@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246476139 804351994 /nfs/dbraw/zinc/35/19/94/804351994.db2.gz WLEHNSRURIYLBF-LVQVYYBASA-N 1 3 287.451 3.095 20 0 CGADHO CCCCC(CCCC)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246518905 804371101 /nfs/dbraw/zinc/37/11/01/804371101.db2.gz QIZCSKMQNOKHTN-MRXNPFEDSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](NC)C1 ZINC001246496347 804360393 /nfs/dbraw/zinc/36/03/93/804360393.db2.gz MPPGBGQKWLVMDP-YESZJQIVSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CNC[C@H](C)C1 ZINC001246496307 804360718 /nfs/dbraw/zinc/36/07/18/804360718.db2.gz LOUTZVVKZBTYJV-BZPMIXESSA-N 1 3 298.883 3.408 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246498143 804362490 /nfs/dbraw/zinc/36/24/90/804362490.db2.gz UIMDLWKHXVXFJV-TWMKSMIVSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246498143 804362495 /nfs/dbraw/zinc/36/24/95/804362495.db2.gz UIMDLWKHXVXFJV-TWMKSMIVSA-N 1 3 258.409 3.053 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001246509893 804367207 /nfs/dbraw/zinc/36/72/07/804367207.db2.gz KGPSRIXOVUDERV-GFCCVEGCSA-N 1 3 299.245 3.322 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@@H](C(C)C)C2C[NH2+]C2)cc1 ZINC001246519240 804371589 /nfs/dbraw/zinc/37/15/89/804371589.db2.gz RHPLUAUKBPCHFV-PBHICJAKSA-N 1 3 292.492 3.309 20 0 CGADHO c1ccc(CC2CCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246520258 804373390 /nfs/dbraw/zinc/37/33/90/804373390.db2.gz SPDNGYHRWKTMFE-BWTSREIZSA-N 1 3 284.447 3.224 20 0 CGADHO C[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246520184 804374059 /nfs/dbraw/zinc/37/40/59/804374059.db2.gz RNKZWHVXISXZMZ-PMACEKPBSA-N 1 3 294.442 3.482 20 0 CGADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246520184 804374068 /nfs/dbraw/zinc/37/40/68/804374068.db2.gz RNKZWHVXISXZMZ-PMACEKPBSA-N 1 3 294.442 3.482 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246560345 804410375 /nfs/dbraw/zinc/41/03/75/804410375.db2.gz CVYDTZZUVOWLJC-IPYPFGDCSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246560345 804410378 /nfs/dbraw/zinc/41/03/78/804410378.db2.gz CVYDTZZUVOWLJC-IPYPFGDCSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246560345 804410383 /nfs/dbraw/zinc/41/03/83/804410383.db2.gz CVYDTZZUVOWLJC-IPYPFGDCSA-N 1 3 280.843 3.330 20 0 CGADHO CCCC1CCC([N@@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246564299 804413592 /nfs/dbraw/zinc/41/35/92/804413592.db2.gz MKOVSKCGEOIKMR-UIDBIOKJSA-N 1 3 252.446 3.405 20 0 CGADHO CCCC1CCC([N@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246564299 804413595 /nfs/dbraw/zinc/41/35/95/804413595.db2.gz MKOVSKCGEOIKMR-UIDBIOKJSA-N 1 3 252.446 3.405 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246571085 804417036 /nfs/dbraw/zinc/41/70/36/804417036.db2.gz KUGZKWPWIRPYIA-TWMKSMIVSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246571085 804417038 /nfs/dbraw/zinc/41/70/38/804417038.db2.gz KUGZKWPWIRPYIA-TWMKSMIVSA-N 1 3 264.457 3.419 20 0 CGADHO [NH3+]C[C@@]1(F)CCCCN([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576414 804422259 /nfs/dbraw/zinc/42/22/59/804422259.db2.gz KDYTYEFIKKGUTL-KURKYZTESA-N 1 3 290.426 3.476 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001246590055 804431571 /nfs/dbraw/zinc/43/15/71/804431571.db2.gz IBHZXSZNIMBMST-JZXOWHBKSA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001246590055 804431575 /nfs/dbraw/zinc/43/15/75/804431575.db2.gz IBHZXSZNIMBMST-JZXOWHBKSA-N 1 3 274.452 3.375 20 0 CGADHO CC(C)[N@H+]([C@H]1CCC[C@@H](C)C1)[C@@H]1CCCNCC1 ZINC001246590613 804433199 /nfs/dbraw/zinc/43/31/99/804433199.db2.gz HJHRJGDMFRTWPB-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCC[C@@H](C)C1)[C@@H]1CCCNCC1 ZINC001246590613 804433204 /nfs/dbraw/zinc/43/32/04/804433204.db2.gz HJHRJGDMFRTWPB-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccc(C[C@H](C)[N@@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246607315 804442141 /nfs/dbraw/zinc/44/21/41/804442141.db2.gz GJDSELYQLBZJML-WMZOPIPTSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(C[C@H](C)[N@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246607315 804442145 /nfs/dbraw/zinc/44/21/45/804442145.db2.gz GJDSELYQLBZJML-WMZOPIPTSA-N 1 3 272.436 3.144 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612251 804446234 /nfs/dbraw/zinc/44/62/34/804446234.db2.gz HXVWOLWIORRZDR-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@H]1C[C@H]([N@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612251 804446235 /nfs/dbraw/zinc/44/62/35/804446235.db2.gz HXVWOLWIORRZDR-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@@H](CC(C)C)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001246615006 804448993 /nfs/dbraw/zinc/44/89/93/804448993.db2.gz QQFWRRDSJYHEOE-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CC([N@@H+]2CCC[C@]3(CCCCN3)C2)C[C@H](C)C1 ZINC001246616280 804450286 /nfs/dbraw/zinc/45/02/86/804450286.db2.gz VDOGFEKNIKNOAB-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC([N@H+]2CCC[C@]3(CCCCN3)C2)C[C@H](C)C1 ZINC001246616280 804450292 /nfs/dbraw/zinc/45/02/92/804450292.db2.gz VDOGFEKNIKNOAB-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC(N2CCC[C@]3(CCCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246616280 804450295 /nfs/dbraw/zinc/45/02/95/804450295.db2.gz VDOGFEKNIKNOAB-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCCCN3)C2)C[C@@H](C)C1 ZINC001246616282 804450913 /nfs/dbraw/zinc/45/09/13/804450913.db2.gz VDOGFEKNIKNOAB-HZMVEIRTSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@]3(CCCCN3)C2)C[C@@H](C)C1 ZINC001246616282 804450917 /nfs/dbraw/zinc/45/09/17/804450917.db2.gz VDOGFEKNIKNOAB-HZMVEIRTSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246616282 804450921 /nfs/dbraw/zinc/45/09/21/804450921.db2.gz VDOGFEKNIKNOAB-HZMVEIRTSA-N 1 3 264.457 3.419 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC2(CCCc3ccccc32)CC1 ZINC001246618022 804451598 /nfs/dbraw/zinc/45/15/98/804451598.db2.gz FWESMTBFQGWQAB-MRXNPFEDSA-N 1 3 286.463 3.355 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634340 804463837 /nfs/dbraw/zinc/46/38/37/804463837.db2.gz BVUOZYOAXYSCNV-BZSNNMDCSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246641882 804469301 /nfs/dbraw/zinc/46/93/01/804469301.db2.gz AHEBRRWGLUVILO-DOTOQJQBSA-N 1 3 284.447 3.107 20 0 CGADHO CCCCC[C@@H](CCC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642521 804471033 /nfs/dbraw/zinc/47/10/33/804471033.db2.gz WSPBHNKEYCZZQA-MSOLQXFVSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCC[C@@H](CCC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642521 804471035 /nfs/dbraw/zinc/47/10/35/804471035.db2.gz WSPBHNKEYCZZQA-MSOLQXFVSA-N 1 3 296.499 3.437 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC12CCNCC2 ZINC001246643084 804471054 /nfs/dbraw/zinc/47/10/54/804471054.db2.gz QEIZARIIUZCVEZ-GOSISDBHSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC12CCNCC2 ZINC001246643084 804471056 /nfs/dbraw/zinc/47/10/56/804471056.db2.gz QEIZARIIUZCVEZ-GOSISDBHSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246644100 804472636 /nfs/dbraw/zinc/47/26/36/804472636.db2.gz VKKIDUKXVWJOGL-ZIAGYGMSSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246644100 804472637 /nfs/dbraw/zinc/47/26/37/804472637.db2.gz VKKIDUKXVWJOGL-ZIAGYGMSSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CCCC13CCNCC3)CC2 ZINC001246657452 804482469 /nfs/dbraw/zinc/48/24/69/804482469.db2.gz VQXQZSZSDVGVAT-UHFFFAOYSA-N 1 3 284.447 3.152 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CCCC13CCNCC3)CC2 ZINC001246657452 804482473 /nfs/dbraw/zinc/48/24/73/804482473.db2.gz VQXQZSZSDVGVAT-UHFFFAOYSA-N 1 3 284.447 3.152 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670388 804489770 /nfs/dbraw/zinc/48/97/70/804489770.db2.gz BVTNIRARYJCVQV-QQXMDYFESA-N 1 3 296.458 3.038 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670388 804489772 /nfs/dbraw/zinc/48/97/72/804489772.db2.gz BVTNIRARYJCVQV-QQXMDYFESA-N 1 3 296.458 3.038 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N(C)CCC[NH3+] ZINC001246681777 804494053 /nfs/dbraw/zinc/49/40/53/804494053.db2.gz QNCMJQIWOFUBOS-LLVKDONJSA-N 1 3 272.845 3.101 20 0 CGADHO C[C@@H]1CC([NH+]2CCC(c3ccccc3)CC2)C[C@@H](C)N1 ZINC001246688361 804497759 /nfs/dbraw/zinc/49/77/59/804497759.db2.gz GQPUCXXJQJRWCH-HUUCEWRRSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N1CCC[C@H](C[NH3+])C1 ZINC001246773660 804504976 /nfs/dbraw/zinc/50/49/76/804504976.db2.gz BDMMAVOJWVSGMF-CHWSQXEVSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@H]1C ZINC001246788070 804511348 /nfs/dbraw/zinc/51/13/48/804511348.db2.gz HCVWPLYSEUPBOM-LXTVHRRPSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@H]1C ZINC001246788070 804511353 /nfs/dbraw/zinc/51/13/53/804511353.db2.gz HCVWPLYSEUPBOM-LXTVHRRPSA-N 1 3 252.446 3.274 20 0 CGADHO C[N@H+](CC(C)(C)C)[C@H]1CCNC2(CCCCC2)C1 ZINC001246795006 804517323 /nfs/dbraw/zinc/51/73/23/804517323.db2.gz HYJAQJDHYSHDKZ-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO C[N@@H+](CC(C)(C)C)[C@H]1CCNC2(CCCCC2)C1 ZINC001246795006 804517328 /nfs/dbraw/zinc/51/73/28/804517328.db2.gz HYJAQJDHYSHDKZ-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO COc1ccccc1[C@@H]1CCCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246794120 804517587 /nfs/dbraw/zinc/51/75/87/804517587.db2.gz ZAVKTAWEFYJFNM-ZBFHGGJFSA-N 1 3 288.435 3.363 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246837501 804546993 /nfs/dbraw/zinc/54/69/93/804546993.db2.gz USYFTDKTVQYIAM-HOTGVXAUSA-N 1 3 284.488 3.292 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246837501 804546998 /nfs/dbraw/zinc/54/69/98/804546998.db2.gz USYFTDKTVQYIAM-HOTGVXAUSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N(C)C[C@H]1CCC[NH2+]C1 ZINC001246840203 804547783 /nfs/dbraw/zinc/54/77/83/804547783.db2.gz GFSVIEKMENRWCO-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO CCCCC(CCCC)[N@@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246843283 804552504 /nfs/dbraw/zinc/55/25/04/804552504.db2.gz FOUYOWDROVSHMZ-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC(CCCC)[N@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246843283 804552508 /nfs/dbraw/zinc/55/25/08/804552508.db2.gz FOUYOWDROVSHMZ-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO COc1cccc([C@@H]2CCCN2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246845419 804553983 /nfs/dbraw/zinc/55/39/83/804553983.db2.gz FZUKFSPDASGAPJ-RDJZCZTQSA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCNC(C)(C)C2)c1 ZINC001246845419 804553986 /nfs/dbraw/zinc/55/39/86/804553986.db2.gz FZUKFSPDASGAPJ-RDJZCZTQSA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCNC(C)(C)C2)c1 ZINC001246845419 804553991 /nfs/dbraw/zinc/55/39/91/804553991.db2.gz FZUKFSPDASGAPJ-RDJZCZTQSA-N 1 3 288.435 3.363 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246845795 804554081 /nfs/dbraw/zinc/55/40/81/804554081.db2.gz LXSRINKTYKMMLS-KFWWJZLASA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246845795 804554082 /nfs/dbraw/zinc/55/40/82/804554082.db2.gz LXSRINKTYKMMLS-KFWWJZLASA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)C[C@H](C)N1 ZINC001246851045 804559593 /nfs/dbraw/zinc/55/95/93/804559593.db2.gz XYYMTTCXEHNIMT-IARIHHJXSA-N 1 3 276.399 3.144 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C[C@H](C)N1 ZINC001246851045 804559597 /nfs/dbraw/zinc/55/95/97/804559597.db2.gz XYYMTTCXEHNIMT-IARIHHJXSA-N 1 3 276.399 3.144 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246869892 804571806 /nfs/dbraw/zinc/57/18/06/804571806.db2.gz XHBUVVHJWNJUBC-JLJPHGGASA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246869892 804571811 /nfs/dbraw/zinc/57/18/11/804571811.db2.gz XHBUVVHJWNJUBC-JLJPHGGASA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246869892 804571818 /nfs/dbraw/zinc/57/18/18/804571818.db2.gz XHBUVVHJWNJUBC-JLJPHGGASA-N 1 3 258.409 3.136 20 0 CGADHO C1CCC2(C1)CCC([N@@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246869308 804572310 /nfs/dbraw/zinc/57/23/10/804572310.db2.gz WHXVEJWGMZWSRV-GJZGRUSLSA-N 1 3 262.441 3.173 20 0 CGADHO C1CCC2(C1)CCC([N@H+]1C[C@H]3CC[C@@H](C1)NC3)CC2 ZINC001246869308 804572312 /nfs/dbraw/zinc/57/23/12/804572312.db2.gz WHXVEJWGMZWSRV-GJZGRUSLSA-N 1 3 262.441 3.173 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(n3ccc4ccccc43)CC2)CCN1 ZINC001246870696 804573278 /nfs/dbraw/zinc/57/32/78/804573278.db2.gz XKQVIEVZYRSHRR-QAPCUYQASA-N 1 3 297.446 3.419 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH+]3CCCNCCC3)C2)cc1 ZINC001246904740 804590075 /nfs/dbraw/zinc/59/00/75/804590075.db2.gz HZZMRSKKAMVTFM-MSOLQXFVSA-N 1 3 272.436 3.398 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC001246941420 804609790 /nfs/dbraw/zinc/60/97/90/804609790.db2.gz JVSAOFXCLZVMFG-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO CCCCCC1CCC(N2CC[C@@](F)(C[NH3+])C2)CC1 ZINC001246945920 804613612 /nfs/dbraw/zinc/61/36/12/804613612.db2.gz MLPXBARDLOSFMT-UYSNPLJNSA-N 1 3 270.436 3.498 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC3(Cc4ccccc4N3)CC2)C[C@H](C)N1 ZINC001247003432 804635770 /nfs/dbraw/zinc/63/57/70/804635770.db2.gz SATUGOIDAPOABS-SCAQPMJSSA-N 1 3 299.462 3.018 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC3(Cc4ccccc4N3)CC2)C[C@H](C)[NH2+]1 ZINC001247003432 804635777 /nfs/dbraw/zinc/63/57/77/804635777.db2.gz SATUGOIDAPOABS-SCAQPMJSSA-N 1 3 299.462 3.018 20 0 CGADHO CCc1ccc(C[C@H](C)N2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015214 804643049 /nfs/dbraw/zinc/64/30/49/804643049.db2.gz NKAXISPYISSLII-ZYSHUDEJSA-N 1 3 286.463 3.254 20 0 CGADHO CCN(Cc1cccc(OC)c1)C1CC[NH+](C(C)C)CC1 ZINC001257222266 807064551 /nfs/dbraw/zinc/06/45/51/807064551.db2.gz ZUVFORPWPOJDMQ-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1N ZINC001166887837 807111527 /nfs/dbraw/zinc/11/15/27/807111527.db2.gz ADYDSTKZFWLCNT-MRXNPFEDSA-N 1 3 296.418 3.221 20 0 CGADHO CCCCC[C@H](C)[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001257520226 807192408 /nfs/dbraw/zinc/19/24/08/807192408.db2.gz ROKYFIGTVFCPGB-JYJNAYRXSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(O)cc2)CC1 ZINC001258002740 807263263 /nfs/dbraw/zinc/26/32/63/807263263.db2.gz BKJBEIJLZMCGPK-AWEZNQCLSA-N 1 3 276.424 3.163 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001258015161 807265753 /nfs/dbraw/zinc/26/57/53/807265753.db2.gz YSOIIZHCRZUNQL-GOSISDBHSA-N 1 3 287.451 3.339 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001258015161 807265760 /nfs/dbraw/zinc/26/57/60/807265760.db2.gz YSOIIZHCRZUNQL-GOSISDBHSA-N 1 3 287.451 3.339 20 0 CGADHO [NH3+]C1(c2cccc(Cl)c2)CCN([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917982 807273609 /nfs/dbraw/zinc/27/36/09/807273609.db2.gz QAMCHVKRMSLRFK-VIKVFOODSA-N 1 3 290.838 3.388 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258055975 807280337 /nfs/dbraw/zinc/28/03/37/807280337.db2.gz NUBLHSPYFWDNDY-MSOLQXFVSA-N 1 3 297.531 3.063 20 0 CGADHO FC1(F)CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167958451 807286697 /nfs/dbraw/zinc/28/66/97/807286697.db2.gz DZZOTRNDCXGTAO-FFHGMXDLSA-N 1 3 284.394 3.169 20 0 CGADHO FC1(F)CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958451 807286701 /nfs/dbraw/zinc/28/67/01/807286701.db2.gz DZZOTRNDCXGTAO-FFHGMXDLSA-N 1 3 284.394 3.169 20 0 CGADHO C1=CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167975902 807290961 /nfs/dbraw/zinc/29/09/61/807290961.db2.gz ZUCWBSFMUVWJEF-MGNMYUMUSA-N 1 3 260.425 3.090 20 0 CGADHO C[N@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)C ZINC001167994137 807292123 /nfs/dbraw/zinc/29/21/23/807292123.db2.gz XFMYRAIIRIVUBW-YIONKMFJSA-N 1 3 250.430 3.122 20 0 CGADHO C[N@@H+](C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)C ZINC001167994137 807292127 /nfs/dbraw/zinc/29/21/27/807292127.db2.gz XFMYRAIIRIVUBW-YIONKMFJSA-N 1 3 250.430 3.122 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095390 807303775 /nfs/dbraw/zinc/30/37/75/807303775.db2.gz FPAXRQFSIPLZIH-ZACQAIPSSA-N 1 3 264.457 3.395 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CCC=C(C)C)C[C@@H]2C1 ZINC001258095390 807303784 /nfs/dbraw/zinc/30/37/84/807303784.db2.gz FPAXRQFSIPLZIH-ZACQAIPSSA-N 1 3 264.457 3.395 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168357515 807391628 /nfs/dbraw/zinc/39/16/28/807391628.db2.gz DYDAZYSKPPYSOB-ROUUACIJSA-N 1 3 270.420 3.007 20 0 CGADHO Cc1ccc2c(c1)CC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168395321 807402556 /nfs/dbraw/zinc/40/25/56/807402556.db2.gz VDDVHRXQTJTOOQ-UHFFFAOYSA-N 1 3 284.447 3.228 20 0 CGADHO Cc1ccc2c(c1)CC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168395321 807402559 /nfs/dbraw/zinc/40/25/59/807402559.db2.gz VDDVHRXQTJTOOQ-UHFFFAOYSA-N 1 3 284.447 3.228 20 0 CGADHO CCN(CCC[NH+](C)C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168745837 807503933 /nfs/dbraw/zinc/50/39/33/807503933.db2.gz ZFWSRUIBAHKIFQ-CQSZACIVSA-N 1 3 280.843 3.081 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCCC1 ZINC001258649277 807522157 /nfs/dbraw/zinc/52/21/57/807522157.db2.gz YOTHIOWXVHAODD-SFHVURJKSA-N 1 3 274.452 3.473 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001169098077 807574989 /nfs/dbraw/zinc/57/49/89/807574989.db2.gz FMSSYTNFWKDISJ-JEJJNBGPSA-N 1 3 292.373 3.036 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001169098077 807574995 /nfs/dbraw/zinc/57/49/95/807574995.db2.gz FMSSYTNFWKDISJ-JEJJNBGPSA-N 1 3 292.373 3.036 20 0 CGADHO Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169101498 807577865 /nfs/dbraw/zinc/57/78/65/807577865.db2.gz SWFMMDWRTSOVMR-PHZGNYQRSA-N 1 3 258.409 3.018 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](CC)C[C@H](C)CC)C[C@@H]2C1 ZINC001258797124 807618946 /nfs/dbraw/zinc/61/89/46/807618946.db2.gz JMHOIPPSLWASAS-WCXIOVBPSA-N 1 3 266.473 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](CC)C[C@H](C)CC)C[C@@H]2C1 ZINC001258797124 807618951 /nfs/dbraw/zinc/61/89/51/807618951.db2.gz JMHOIPPSLWASAS-WCXIOVBPSA-N 1 3 266.473 3.475 20 0 CGADHO CC[NH+](CC)C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258825157 807640256 /nfs/dbraw/zinc/64/02/56/807640256.db2.gz ZWHWYQMALUDNMV-GDBMZVCRSA-N 1 3 252.446 3.371 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)CN1CCCC1 ZINC001262160636 807831150 /nfs/dbraw/zinc/83/11/50/807831150.db2.gz KYVNONPZGSWYBH-ROUUACIJSA-N 1 3 294.483 3.047 20 0 CGADHO Cc1ccc(N[C@@H](N)CCC[NH3+])cc1OCc1ccccc1 ZINC001170903705 807929560 /nfs/dbraw/zinc/92/95/60/807929560.db2.gz KJYJCKBIFGYQHR-GOSISDBHSA-N 1 3 299.418 3.010 20 0 CGADHO Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C2 ZINC001171559479 808095007 /nfs/dbraw/zinc/09/50/07/808095007.db2.gz GNQKLSLGTSTIQZ-FGTMMUONSA-N 1 3 286.463 3.315 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCc4c(C)cccc4C3)C[C@H]2C1 ZINC001171579884 808104271 /nfs/dbraw/zinc/10/42/71/808104271.db2.gz SBVKAIBKNNXGDO-GUDVDZBRSA-N 1 3 298.474 3.126 20 0 CGADHO CCCO[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638148 808109539 /nfs/dbraw/zinc/10/95/39/808109539.db2.gz UJDPBQXWCHECGP-HNNXBMFYSA-N 1 3 282.472 3.139 20 0 CGADHO CCCO[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171638148 808109542 /nfs/dbraw/zinc/10/95/42/808109542.db2.gz UJDPBQXWCHECGP-HNNXBMFYSA-N 1 3 282.472 3.139 20 0 CGADHO C[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@@]1(C)O ZINC001171632121 808109683 /nfs/dbraw/zinc/10/96/83/808109683.db2.gz VJWJPNNUZIRRBM-RDTXWAMCSA-N 1 3 296.499 3.121 20 0 CGADHO C[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@@]1(C)O ZINC001171632121 808109687 /nfs/dbraw/zinc/10/96/87/808109687.db2.gz VJWJPNNUZIRRBM-RDTXWAMCSA-N 1 3 296.499 3.121 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCCC[C@@H](F)C2)CC1(C)C ZINC001171631699 808110005 /nfs/dbraw/zinc/11/00/05/808110005.db2.gz LXGUYBQDHTUXFH-CYBMUJFWSA-N 1 3 270.436 3.462 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCCC[C@@H](F)C2)CC1(C)C ZINC001171631699 808110009 /nfs/dbraw/zinc/11/00/09/808110009.db2.gz LXGUYBQDHTUXFH-CYBMUJFWSA-N 1 3 270.436 3.462 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1F ZINC001172100583 808172168 /nfs/dbraw/zinc/17/21/68/808172168.db2.gz FNAPKJKFRZZSDC-XQLPTFJDSA-N 1 3 276.399 3.492 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC001172100259 808172815 /nfs/dbraw/zinc/17/28/15/808172815.db2.gz CJYUDTXFVAXJMX-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172100259 808172816 /nfs/dbraw/zinc/17/28/16/808172816.db2.gz CJYUDTXFVAXJMX-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO CC(C)c1ncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)s1 ZINC001172116795 808181244 /nfs/dbraw/zinc/18/12/44/808181244.db2.gz IRNIENGWRNAEGR-BTTYYORXSA-N 1 3 293.480 3.371 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CSc3ccccc3C2)C1 ZINC001172205383 808198655 /nfs/dbraw/zinc/19/86/55/808198655.db2.gz VUDZNAKLPXHQQN-BZUAXINKSA-N 1 3 290.476 3.166 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172205383 808198657 /nfs/dbraw/zinc/19/86/57/808198657.db2.gz VUDZNAKLPXHQQN-BZUAXINKSA-N 1 3 290.476 3.166 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CC3(C2)CCN(CC2CC2)C3)C[C@H]1C ZINC001172373690 808268323 /nfs/dbraw/zinc/26/83/23/808268323.db2.gz MXDHRQUTUSKBBS-INMHGKMJSA-N 1 3 276.468 3.229 20 0 CGADHO CC[C@H](CC(C)C)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172404381 808291095 /nfs/dbraw/zinc/29/10/95/808291095.db2.gz WFDJRRZAXDNWCF-MRXNPFEDSA-N 1 3 296.499 3.386 20 0 CGADHO CC[C@H](CC(C)C)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172404381 808291101 /nfs/dbraw/zinc/29/11/01/808291101.db2.gz WFDJRRZAXDNWCF-MRXNPFEDSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)COCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001172462258 808331812 /nfs/dbraw/zinc/33/18/12/808331812.db2.gz NYQPOKDVCWQZES-DLBZAZTESA-N 1 3 284.488 3.292 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173041467 808498362 /nfs/dbraw/zinc/49/83/62/808498362.db2.gz APLRGTUGYDQTGM-IAGOWNOFSA-N 1 3 294.483 3.188 20 0 CGADHO CC[NH+](CC)C1CCC(NCc2ncc(F)cc2F)CC1 ZINC001173102885 808510035 /nfs/dbraw/zinc/51/00/35/808510035.db2.gz CKTYJKUMSBVDOI-UHFFFAOYSA-N 1 3 297.393 3.102 20 0 CGADHO CC[N@@H+]1CC[C@@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001173351667 808626692 /nfs/dbraw/zinc/62/66/92/808626692.db2.gz WGBVYZVIVBMKKJ-CYBMUJFWSA-N 1 3 277.799 3.020 20 0 CGADHO CC[N@H+]1CC[C@@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001173351667 808626695 /nfs/dbraw/zinc/62/66/95/808626695.db2.gz WGBVYZVIVBMKKJ-CYBMUJFWSA-N 1 3 277.799 3.020 20 0 CGADHO COc1ccccc1C[N@@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001275253232 808923402 /nfs/dbraw/zinc/92/34/02/808923402.db2.gz YNEIFBHQJIQJOJ-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO COc1ccccc1C[N@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001275253232 808923405 /nfs/dbraw/zinc/92/34/05/808923405.db2.gz YNEIFBHQJIQJOJ-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO Cc1cc(F)c(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001276175173 808991852 /nfs/dbraw/zinc/99/18/52/808991852.db2.gz WMLXKXCMRYSGRK-OKILXGFUSA-N 1 3 294.389 3.047 20 0 CGADHO Cc1cc(F)c(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001276175173 808991855 /nfs/dbraw/zinc/99/18/55/808991855.db2.gz WMLXKXCMRYSGRK-OKILXGFUSA-N 1 3 294.389 3.047 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@H]2[C@@H]1CCN2C1CCCC1 ZINC001276764307 809029827 /nfs/dbraw/zinc/02/98/27/809029827.db2.gz KSOCMTWMKGDWPT-CFRSGVNKSA-N 1 3 286.463 3.290 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@H]2[C@@H]1CCN2C1CCCC1 ZINC001276764307 809029833 /nfs/dbraw/zinc/02/98/33/809029833.db2.gz KSOCMTWMKGDWPT-CFRSGVNKSA-N 1 3 286.463 3.290 20 0 CGADHO Cc1cc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)ccn1 ZINC001276805853 809033248 /nfs/dbraw/zinc/03/32/48/809033248.db2.gz OFUVVJFOVDXCGO-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4c(ccn4C)c3)(C1)CCC2 ZINC001276840071 809036416 /nfs/dbraw/zinc/03/64/16/809036416.db2.gz ILJSNYRBHWUNNV-RBUKOAKNSA-N 1 3 297.446 3.333 20 0 CGADHO Cc1cnccc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001174538011 809068919 /nfs/dbraw/zinc/06/89/19/809068919.db2.gz YJSSTDCKSSFCBO-UHFFFAOYSA-N 1 3 267.376 3.151 20 0 CGADHO Cc1cnccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001174537690 809070055 /nfs/dbraw/zinc/07/00/55/809070055.db2.gz NDJHNLBFBJMJMF-UHFFFAOYSA-N 1 3 281.403 3.194 20 0 CGADHO c1c[nH]c(Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC001176085112 809619355 /nfs/dbraw/zinc/61/93/55/809619355.db2.gz WTKZCYDFDWOOBI-UHFFFAOYSA-N 1 3 256.353 3.139 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001177742470 809817930 /nfs/dbraw/zinc/81/79/30/809817930.db2.gz IVOTWUPHYQFRHK-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@@H](C)N(C)C ZINC001183103331 810137600 /nfs/dbraw/zinc/13/76/00/810137600.db2.gz JFUHABJRSYPYLE-VXGBXAGGSA-N 1 3 286.822 3.340 20 0 CGADHO C[NH+](C)CCCn1cc(Nc2ccnc(C3CCC3)c2)cn1 ZINC001186969100 810375245 /nfs/dbraw/zinc/37/52/45/810375245.db2.gz UGVJHKCARALUGT-UHFFFAOYSA-N 1 3 299.422 3.241 20 0 CGADHO CCCCCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001201756534 811960823 /nfs/dbraw/zinc/96/08/23/811960823.db2.gz MAQRJUYHVLGIFG-UHFFFAOYSA-N 1 3 261.413 3.092 20 0 CGADHO C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)N(C)C ZINC001203269795 812285688 /nfs/dbraw/zinc/28/56/88/812285688.db2.gz DHILZBJURLXGLP-AWEZNQCLSA-N 1 3 290.451 3.220 20 0 CGADHO Cc1cc(CN(C)CC2CC[NH+](C(C)C)CC2)oc1C ZINC001204534645 812669611 /nfs/dbraw/zinc/66/96/11/812669611.db2.gz LIQSBWNGDWZCOE-UHFFFAOYSA-N 1 3 278.440 3.449 20 0 CGADHO [NH3+]CCCCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC001204877463 812760095 /nfs/dbraw/zinc/76/00/95/812760095.db2.gz JTVXNSPHMXFODE-LJQANCHMSA-N 1 3 297.446 3.412 20 0 CGADHO [NH3+][C@@H]1CCCN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001205088350 812854886 /nfs/dbraw/zinc/85/48/86/812854886.db2.gz OLWXLIPNGZFROB-BMFZPTHFSA-N 1 3 278.827 3.257 20 0 CGADHO Cc1cccc2c1CCN(Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001205164426 812893777 /nfs/dbraw/zinc/89/37/77/812893777.db2.gz FVJKFTNILBAADO-UHFFFAOYSA-N 1 3 292.426 3.199 20 0 CGADHO C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296335 812937492 /nfs/dbraw/zinc/93/74/92/812937492.db2.gz MOUUCOKCASQTGO-ZFWWWQNUSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296335 812937496 /nfs/dbraw/zinc/93/74/96/812937496.db2.gz MOUUCOKCASQTGO-ZFWWWQNUSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CCN(CCCc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC001205296335 812937498 /nfs/dbraw/zinc/93/74/98/812937498.db2.gz MOUUCOKCASQTGO-ZFWWWQNUSA-N 1 3 280.843 3.189 20 0 CGADHO CC(C)c1cccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316494 812949661 /nfs/dbraw/zinc/94/96/61/812949661.db2.gz KBWVMLAMPOKXNT-WMLDXEAASA-N 1 3 260.425 3.227 20 0 CGADHO C[C@H]1CCN(Cc2cc(Cl)ccc2F)CC[C@H]1C[NH3+] ZINC001205602222 813017299 /nfs/dbraw/zinc/01/72/99/813017299.db2.gz HTCKYODKOCDENL-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2cc(F)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205618584 813027951 /nfs/dbraw/zinc/02/79/51/813027951.db2.gz XIJBBVWKYNKEJO-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2ccc(Cl)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205618512 813028780 /nfs/dbraw/zinc/02/87/80/813028780.db2.gz WSESOFOKIHAQCF-WCQYABFASA-N 1 3 284.806 3.286 20 0 CGADHO CC(C)=CCC[C@@H](C)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205734637 813064038 /nfs/dbraw/zinc/06/40/38/813064038.db2.gz GBYZWJMFTQTQDC-KGLIPLIRSA-N 1 3 274.399 3.285 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205872720 813116521 /nfs/dbraw/zinc/11/65/21/813116521.db2.gz QLDHHMSSOZLUMZ-KDOFPFPSSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205872720 813116524 /nfs/dbraw/zinc/11/65/24/813116524.db2.gz QLDHHMSSOZLUMZ-KDOFPFPSSA-N 1 3 268.404 3.317 20 0 CGADHO C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206004800 813162044 /nfs/dbraw/zinc/16/20/44/813162044.db2.gz VPFCYLDVLZMGEN-DGCLKSJQSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@H]1N ZINC001206065078 813188319 /nfs/dbraw/zinc/18/83/19/813188319.db2.gz LDBCRKHUQCSHDZ-FZKQIMNGSA-N 1 3 284.378 3.272 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)C[C@H]1N ZINC001206065078 813188324 /nfs/dbraw/zinc/18/83/24/813188324.db2.gz LDBCRKHUQCSHDZ-FZKQIMNGSA-N 1 3 284.378 3.272 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2cc3ccccc3s2)CC[C@H]1F ZINC001206163669 813220563 /nfs/dbraw/zinc/22/05/63/813220563.db2.gz DPVQBJRYKXWLTK-ZIAGYGMSSA-N 1 3 278.396 3.163 20 0 CGADHO NC[C@@]1(F)CCCC[N@H+](Cc2cccc3occc32)C1 ZINC001206370674 813305535 /nfs/dbraw/zinc/30/55/35/813305535.db2.gz OSLLHTROGHROJX-INIZCTEOSA-N 1 3 276.355 3.086 20 0 CGADHO NC[C@@]1(F)CCCC[N@@H+](Cc2cccc3occc32)C1 ZINC001206370674 813305542 /nfs/dbraw/zinc/30/55/42/813305542.db2.gz OSLLHTROGHROJX-INIZCTEOSA-N 1 3 276.355 3.086 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2cncc3ccccc32)C1 ZINC001206556065 813351578 /nfs/dbraw/zinc/35/15/78/813351578.db2.gz MVOCTHKXMQVVGX-SFHVURJKSA-N 1 3 283.419 3.186 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606344 813372468 /nfs/dbraw/zinc/37/24/68/813372468.db2.gz LJJARFOIODCCTJ-JKSUJKDBSA-N 1 3 284.488 3.015 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@H](CN)C1 ZINC001206606344 813372475 /nfs/dbraw/zinc/37/24/75/813372475.db2.gz LJJARFOIODCCTJ-JKSUJKDBSA-N 1 3 284.488 3.015 20 0 CGADHO Cc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)cs1 ZINC001206606133 813372646 /nfs/dbraw/zinc/37/26/46/813372646.db2.gz FGGTYNUESFFQAO-HNNXBMFYSA-N 1 3 266.454 3.409 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCCC[C@H](CN)C2)C1(C)C ZINC001206606245 813372755 /nfs/dbraw/zinc/37/27/55/813372755.db2.gz IBKZYNURLBKXOQ-CVEARBPZSA-N 1 3 264.457 3.430 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCCC[C@H](CN)C2)C1(C)C ZINC001206606245 813372763 /nfs/dbraw/zinc/37/27/63/813372763.db2.gz IBKZYNURLBKXOQ-CVEARBPZSA-N 1 3 264.457 3.430 20 0 CGADHO Cc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC001206606134 813373147 /nfs/dbraw/zinc/37/31/47/813373147.db2.gz FGGTYNUESFFQAO-OAHLLOKOSA-N 1 3 266.454 3.409 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206640854 813383212 /nfs/dbraw/zinc/38/32/12/813383212.db2.gz OBUBFPITPLIWGD-AWEZNQCLSA-N 1 3 264.388 3.003 20 0 CGADHO CC(C)(C)Oc1cccc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206641515 813383628 /nfs/dbraw/zinc/38/36/28/813383628.db2.gz YKIYUFPJODBVIG-INIZCTEOSA-N 1 3 290.451 3.425 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2CC(C)C2)CC1 ZINC001206769812 813432169 /nfs/dbraw/zinc/43/21/69/813432169.db2.gz FPOILVVGNSTLQL-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO CCCc1ccc(CN2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206768977 813432558 /nfs/dbraw/zinc/43/25/58/813432558.db2.gz MEUKRSFGYIOQLC-PBHICJAKSA-N 1 3 260.425 3.198 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccc2ccsc2c1 ZINC001206806598 813441741 /nfs/dbraw/zinc/44/17/41/813441741.db2.gz GVHUCYFHBLFGDN-JSGCOSHPSA-N 1 3 274.433 3.461 20 0 CGADHO CC1=CC[C@@H](CC[NH+]2CCC3(CN(C)C3)CC2)C1(C)C ZINC001207275889 813530425 /nfs/dbraw/zinc/53/04/25/813530425.db2.gz LUVJPAWNSGERMC-INIZCTEOSA-N 1 3 276.468 3.397 20 0 CGADHO C[NH+](C)CC1(CN2CCC(F)(F)C(C)(C)C2)CCCC1 ZINC001208184517 813735031 /nfs/dbraw/zinc/73/50/31/813735031.db2.gz LYCYSEDCVPSEHC-UHFFFAOYSA-N 1 3 288.426 3.476 20 0 CGADHO CC[NH+]1CCC(CN2CCc3c(Cl)cccc3C2)CC1 ZINC001208597681 813771706 /nfs/dbraw/zinc/77/17/06/813771706.db2.gz KSKBNPHGGBMFJS-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO C[C@H]1C[C@H]1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209421291 814022933 /nfs/dbraw/zinc/02/29/33/814022933.db2.gz ORZLHNKMCVRIRW-RDJZCZTQSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[C@H]1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209421291 814022942 /nfs/dbraw/zinc/02/29/42/814022942.db2.gz ORZLHNKMCVRIRW-RDJZCZTQSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475382 814479698 /nfs/dbraw/zinc/47/96/98/814479698.db2.gz MPGHKXUHGFIAJL-XPKDYRNWSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475382 814479701 /nfs/dbraw/zinc/47/97/01/814479701.db2.gz MPGHKXUHGFIAJL-XPKDYRNWSA-N 1 3 278.827 3.127 20 0 CGADHO COc1c[nH+]ccc1Nc1ccncc1Oc1ccccc1 ZINC001211257078 814862843 /nfs/dbraw/zinc/86/28/43/814862843.db2.gz FXRRKSWTLUIVJW-UHFFFAOYSA-N 1 3 293.326 3.443 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@]3(CCCNC3)C2)CC1 ZINC001222258933 816389774 /nfs/dbraw/zinc/38/97/74/816389774.db2.gz JDHAMLMTKYETIO-KSZLIROESA-N 1 3 276.468 3.444 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]3(CCCNC3)C2)CC1 ZINC001222258933 816389780 /nfs/dbraw/zinc/38/97/80/816389780.db2.gz JDHAMLMTKYETIO-KSZLIROESA-N 1 3 276.468 3.444 20 0 CGADHO COc1ccc(CN2CCC[C@@]23CCC[NH2+]CC3)cc1C ZINC001222310358 816404829 /nfs/dbraw/zinc/40/48/29/816404829.db2.gz UGXRHCBHOXHOLD-GOSISDBHSA-N 1 3 288.435 3.112 20 0 CGADHO COc1cc(CN2CCC[C@@]23CCC[NH2+]CC3)ccc1C ZINC001222315273 816405863 /nfs/dbraw/zinc/40/58/63/816405863.db2.gz MDVKSOIGEPYNBF-GOSISDBHSA-N 1 3 288.435 3.112 20 0 CGADHO Cc1c(CN2CCC3(CCC[NH2+]C3)CC2)ccc(F)c1F ZINC001222457627 816450075 /nfs/dbraw/zinc/45/00/75/816450075.db2.gz TVXVWYXLVOUSFZ-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614156 816478845 /nfs/dbraw/zinc/47/88/45/816478845.db2.gz AWOUYWHQOFVOES-YESZJQIVSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222614156 816478846 /nfs/dbraw/zinc/47/88/46/816478846.db2.gz AWOUYWHQOFVOES-YESZJQIVSA-N 1 3 264.457 3.443 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C[C@@H]2CC2(C)C)c1 ZINC001232146575 818263859 /nfs/dbraw/zinc/26/38/59/818263859.db2.gz URLOAYMHVIMIKA-HNNXBMFYSA-N 1 3 278.415 3.365 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC001232146575 818263861 /nfs/dbraw/zinc/26/38/61/818263861.db2.gz URLOAYMHVIMIKA-HNNXBMFYSA-N 1 3 278.415 3.365 20 0 CGADHO CC[C@@H](C)[N@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232147613 818264109 /nfs/dbraw/zinc/26/41/09/818264109.db2.gz IYWUQBOFPMCCDT-GFCCVEGCSA-N 1 3 252.377 3.118 20 0 CGADHO CC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232147613 818264112 /nfs/dbraw/zinc/26/41/12/818264112.db2.gz IYWUQBOFPMCCDT-GFCCVEGCSA-N 1 3 252.377 3.118 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235040525 818988679 /nfs/dbraw/zinc/98/86/79/818988679.db2.gz LJLKESOUROEULE-SFHVURJKSA-N 1 3 272.436 3.412 20 0 CGADHO Fc1ccc(CCCN2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042561 818989163 /nfs/dbraw/zinc/98/91/63/818989163.db2.gz XQBNCFDSKAVTLU-GOSISDBHSA-N 1 3 290.426 3.366 20 0 CGADHO Cc1c(F)cc(CN2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001235133111 819013934 /nfs/dbraw/zinc/01/39/34/819013934.db2.gz PSBPFNZFXLFRMG-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO CC(C)(CCN1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC001235253191 819049800 /nfs/dbraw/zinc/04/98/00/819049800.db2.gz CILZVDAIWTXDCS-DOTOQJQBSA-N 1 3 272.436 3.038 20 0 CGADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363769 819080441 /nfs/dbraw/zinc/08/04/41/819080441.db2.gz UBJRMWZGYCUZCO-YTQUADARSA-N 1 3 286.463 3.286 20 0 CGADHO CC[C@H](C)C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363769 819080445 /nfs/dbraw/zinc/08/04/45/819080445.db2.gz UBJRMWZGYCUZCO-YTQUADARSA-N 1 3 286.463 3.286 20 0 CGADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)o1 ZINC001235403614 819086021 /nfs/dbraw/zinc/08/60/21/819086021.db2.gz LJUFWLFFFDICGS-KBRIMQKVSA-N 1 3 294.414 3.105 20 0 CGADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)o1 ZINC001235403614 819086023 /nfs/dbraw/zinc/08/60/23/819086023.db2.gz LJUFWLFFFDICGS-KBRIMQKVSA-N 1 3 294.414 3.105 20 0 CGADHO Cc1cc(Cl)cc(CN2CCC3(C[NH+](C)C3)CC2)c1 ZINC001235539315 819119460 /nfs/dbraw/zinc/11/94/60/819119460.db2.gz ZYNNRWMNWYGTPB-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1cc(Cl)cc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001235539315 819119463 /nfs/dbraw/zinc/11/94/63/819119463.db2.gz ZYNNRWMNWYGTPB-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1c2ccccc2sc1CN1CCC[C@@H](C[NH3+])C1 ZINC001235675421 819135597 /nfs/dbraw/zinc/13/55/97/819135597.db2.gz XTLVGKKNKIFVPE-ZDUSSCGKSA-N 1 3 274.433 3.380 20 0 CGADHO [NH3+]C[C@@H]1CCCN(Cc2ccc(C3CCC3)cc2)C1 ZINC001235676546 819136675 /nfs/dbraw/zinc/13/66/75/819136675.db2.gz SLXDSPQAPDCYRR-HNNXBMFYSA-N 1 3 258.409 3.125 20 0 CGADHO CC[NH2+]C1CCN(C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001235725634 819152926 /nfs/dbraw/zinc/15/29/26/819152926.db2.gz LXVKVIIZNKCSHB-HUUCEWRRSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@@H+]1CCCCCOCc1ccccc1 ZINC001235894108 819203181 /nfs/dbraw/zinc/20/31/81/819203181.db2.gz ZXPWBSNXKNNTKW-SJLPKXTDSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@H+]1CCCCCOCc1ccccc1 ZINC001235894108 819203187 /nfs/dbraw/zinc/20/31/87/819203187.db2.gz ZXPWBSNXKNNTKW-SJLPKXTDSA-N 1 3 290.451 3.185 20 0 CGADHO CC(C)(CC[N@@H+]1CCC[C@H]1CCN)c1ccccc1 ZINC001235924905 819223739 /nfs/dbraw/zinc/22/37/39/819223739.db2.gz BOVWBKDPLGNLRX-INIZCTEOSA-N 1 3 260.425 3.168 20 0 CGADHO CC(C)(CC[N@H+]1CCC[C@H]1CCN)c1ccccc1 ZINC001235924905 819223741 /nfs/dbraw/zinc/22/37/41/819223741.db2.gz BOVWBKDPLGNLRX-INIZCTEOSA-N 1 3 260.425 3.168 20 0 CGADHO CC(C)(C)Oc1cccc(CN2CCC[C@H]2CC[NH3+])c1 ZINC001235926266 819226095 /nfs/dbraw/zinc/22/60/95/819226095.db2.gz VSJAMKWOPNJYEY-HNNXBMFYSA-N 1 3 276.424 3.177 20 0 CGADHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(Cc1csc3ccccc13)C2 ZINC001235960093 819246981 /nfs/dbraw/zinc/24/69/81/819246981.db2.gz OZIAZFZIDUSEDJ-DRXBFXEBSA-N 1 3 272.417 3.070 20 0 CGADHO CCC(CC)[N@H+](CC)Cc1cc2c(s1)CCNC2 ZINC001235962838 819251480 /nfs/dbraw/zinc/25/14/80/819251480.db2.gz OOZVLZUCMJWSEI-UHFFFAOYSA-N 1 3 266.454 3.404 20 0 CGADHO CCC(CC)[N@@H+](CC)Cc1cc2c(s1)CCNC2 ZINC001235962838 819251483 /nfs/dbraw/zinc/25/14/83/819251483.db2.gz OOZVLZUCMJWSEI-UHFFFAOYSA-N 1 3 266.454 3.404 20 0 CGADHO N[C@]12CC[C@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980957 819256776 /nfs/dbraw/zinc/25/67/76/819256776.db2.gz SOWSDAFNDRMSOP-ZFWWWQNUSA-N 1 3 298.352 3.061 20 0 CGADHO N[C@]12CC[C@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980957 819256779 /nfs/dbraw/zinc/25/67/79/819256779.db2.gz SOWSDAFNDRMSOP-ZFWWWQNUSA-N 1 3 298.352 3.061 20 0 CGADHO CC(C)=CCC[C@H](C)CCN1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981854 819259067 /nfs/dbraw/zinc/25/90/67/819259067.db2.gz XUXDRFZTTIGSIU-HRCADAONSA-N 1 3 250.430 3.182 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)C[C@H](N)C1 ZINC001236044835 819282075 /nfs/dbraw/zinc/28/20/75/819282075.db2.gz AMLITGNTVQYKBY-CJNGLKHVSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@H](N)C1 ZINC001236044835 819282078 /nfs/dbraw/zinc/28/20/78/819282078.db2.gz AMLITGNTVQYKBY-CJNGLKHVSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](N)C2)c2ccccc12 ZINC001236051321 819287961 /nfs/dbraw/zinc/28/79/61/819287961.db2.gz VXQGTOOKLNMGMK-CJNGLKHVSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](N)C2)c2ccccc12 ZINC001236051321 819287967 /nfs/dbraw/zinc/28/79/67/819287967.db2.gz VXQGTOOKLNMGMK-CJNGLKHVSA-N 1 3 268.404 3.317 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059328 819292449 /nfs/dbraw/zinc/29/24/49/819292449.db2.gz FEYYPQZWNMGXRB-JYJNAYRXSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059328 819292458 /nfs/dbraw/zinc/29/24/58/819292458.db2.gz FEYYPQZWNMGXRB-JYJNAYRXSA-N 1 3 250.430 3.053 20 0 CGADHO CCN(Cc1cccs1)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236088349 819309675 /nfs/dbraw/zinc/30/96/75/819309675.db2.gz FHDFZWVQMRFQPA-UHFFFAOYSA-N 1 3 292.473 3.477 20 0 CGADHO C[N@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@H]1N ZINC001236214595 819375612 /nfs/dbraw/zinc/37/56/12/819375612.db2.gz GKUVAYQVGORPIK-HUUCEWRRSA-N 1 3 276.355 3.274 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2ccoc21)[C@@H]1CCCC[C@H]1N ZINC001236214595 819375619 /nfs/dbraw/zinc/37/56/19/819375619.db2.gz GKUVAYQVGORPIK-HUUCEWRRSA-N 1 3 276.355 3.274 20 0 CGADHO CCc1cccc(C)c1C[N@H+](C)[C@H]1CCCC[C@@H]1N ZINC001236215187 819377551 /nfs/dbraw/zinc/37/75/51/819377551.db2.gz HMWGCCMTJSJEEN-IRXDYDNUSA-N 1 3 260.425 3.259 20 0 CGADHO CCc1cccc(C)c1C[N@@H+](C)[C@H]1CCCC[C@@H]1N ZINC001236215187 819377559 /nfs/dbraw/zinc/37/75/59/819377559.db2.gz HMWGCCMTJSJEEN-IRXDYDNUSA-N 1 3 260.425 3.259 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@H]1N ZINC001236217387 819382155 /nfs/dbraw/zinc/38/21/55/819382155.db2.gz OSVZZEDBUGALGT-MJGOQNOKSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCCC[C@H]1N ZINC001236217387 819382161 /nfs/dbraw/zinc/38/21/61/819382161.db2.gz OSVZZEDBUGALGT-MJGOQNOKSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@H]1N ZINC001236218791 819383715 /nfs/dbraw/zinc/38/37/15/819383715.db2.gz UCKVUILERKUHPO-QZTJIDSGSA-N 1 3 272.436 3.267 20 0 CGADHO C[N@@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@H]1N ZINC001236218791 819383720 /nfs/dbraw/zinc/38/37/20/819383720.db2.gz UCKVUILERKUHPO-QZTJIDSGSA-N 1 3 272.436 3.267 20 0 CGADHO CC(C)Cc1ccc(CN(C)C2(C)CC[NH2+]CC2)cc1 ZINC001236226394 819390615 /nfs/dbraw/zinc/39/06/15/819390615.db2.gz KTKYNBHBPWCTCA-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CC(C)Cc1ccc(C[N@H+](C)C2(C)CCNCC2)cc1 ZINC001236226394 819390620 /nfs/dbraw/zinc/39/06/20/819390620.db2.gz KTKYNBHBPWCTCA-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CC(C)Cc1ccc(C[N@@H+](C)C2(C)CCNCC2)cc1 ZINC001236226394 819390625 /nfs/dbraw/zinc/39/06/25/819390625.db2.gz KTKYNBHBPWCTCA-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO CCN(Cc1ccc(Cl)cc1Cl)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236265690 819410075 /nfs/dbraw/zinc/41/00/75/819410075.db2.gz JYMQPTUNYMZQOM-WDNDVIMCSA-N 1 3 299.245 3.281 20 0 CGADHO CS[C@H](C)CCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287161 819413939 /nfs/dbraw/zinc/41/39/39/819413939.db2.gz POYGJMVPJDILAN-OAHLLOKOSA-N 1 3 292.492 3.382 20 0 CGADHO CS[C@H](C)CC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287161 819413945 /nfs/dbraw/zinc/41/39/45/819413945.db2.gz POYGJMVPJDILAN-OAHLLOKOSA-N 1 3 292.492 3.382 20 0 CGADHO CS[C@H](C)CC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287161 819413950 /nfs/dbraw/zinc/41/39/50/819413950.db2.gz POYGJMVPJDILAN-OAHLLOKOSA-N 1 3 292.492 3.382 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](CC(C)C)C1CCNCC1 ZINC001236516824 819511107 /nfs/dbraw/zinc/51/11/07/819511107.db2.gz IWJRWJDVIXJUJT-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](CC(C)C)C1CCNCC1 ZINC001236516824 819511112 /nfs/dbraw/zinc/51/11/12/819511112.db2.gz IWJRWJDVIXJUJT-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO CCCCc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236604326 819551150 /nfs/dbraw/zinc/55/11/50/819551150.db2.gz MFEOEEVEWRDVBM-KRWDZBQOSA-N 1 3 260.425 3.200 20 0 CGADHO CCCN(Cc1ccc(OC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236836509 819616354 /nfs/dbraw/zinc/61/63/54/819616354.db2.gz WNDMJAVPAZGUDO-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO CCCN(Cc1cc(C)c(C)s1)C[C@@H]1CC[NH2+]C1 ZINC001236843226 819619179 /nfs/dbraw/zinc/61/91/79/819619179.db2.gz LTSJWUHKIFSFII-CQSZACIVSA-N 1 3 266.454 3.186 20 0 CGADHO CCCN(Cc1c(C)cccc1CC)C[C@@H]1CC[NH2+]C1 ZINC001236844171 819619985 /nfs/dbraw/zinc/61/99/85/819619985.db2.gz UNCLEDLSSPJBGF-MRXNPFEDSA-N 1 3 274.452 3.379 20 0 CGADHO CCCN(Cc1ccc(CC)s1)C[C@@H]1CC[NH2+]C1 ZINC001236844583 819620781 /nfs/dbraw/zinc/62/07/81/819620781.db2.gz WKCJVZIIMLDUCM-CYBMUJFWSA-N 1 3 266.454 3.132 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc(F)c4ccoc43)C2)CC1 ZINC001236901608 819634890 /nfs/dbraw/zinc/63/48/90/819634890.db2.gz PTACOELDQRPUIV-UHFFFAOYSA-N 1 3 288.366 3.100 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001237193432 819695173 /nfs/dbraw/zinc/69/51/73/819695173.db2.gz OXYVDZOZLBKBFE-LJQANCHMSA-N 1 3 280.415 3.319 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001237193432 819695176 /nfs/dbraw/zinc/69/51/76/819695176.db2.gz OXYVDZOZLBKBFE-LJQANCHMSA-N 1 3 280.415 3.319 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CCN1C[C@@H]([NH3+])C[C@H]1C ZINC001237203681 819698335 /nfs/dbraw/zinc/69/83/35/819698335.db2.gz KAMDJWVZXQBGFA-KFWWJZLASA-N 1 3 270.461 3.029 20 0 CGADHO Fc1ccc(C[C@H]2CCCN2CC[C@H]2CCCC[NH2+]2)cc1 ZINC001237246762 819711055 /nfs/dbraw/zinc/71/10/55/819711055.db2.gz CXVSCJATXWHEPU-QZTJIDSGSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H](N)C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266582 819712156 /nfs/dbraw/zinc/71/21/56/819712156.db2.gz XENPHOVFLYCWNC-UKRRQHHQSA-N 1 3 276.424 3.000 20 0 CGADHO C[C@@H](N)C[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266582 819712160 /nfs/dbraw/zinc/71/21/60/819712160.db2.gz XENPHOVFLYCWNC-UKRRQHHQSA-N 1 3 276.424 3.000 20 0 CGADHO CC[C@H](N)C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265081 819712523 /nfs/dbraw/zinc/71/25/23/819712523.db2.gz LRIKTKBSATUPCE-HOTGVXAUSA-N 1 3 290.451 3.391 20 0 CGADHO CC[C@H](N)C[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265081 819712524 /nfs/dbraw/zinc/71/25/24/819712524.db2.gz LRIKTKBSATUPCE-HOTGVXAUSA-N 1 3 290.451 3.391 20 0 CGADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)cnc1C1CC1 ZINC001238616848 820061580 /nfs/dbraw/zinc/06/15/80/820061580.db2.gz IOTXVBGEHLGZBU-UHFFFAOYSA-N 1 3 287.451 3.041 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cnc(C2CC2)c(C)c1 ZINC001238632398 820068012 /nfs/dbraw/zinc/06/80/12/820068012.db2.gz SOLKJZDUHAYGGY-UHFFFAOYSA-N 1 3 289.467 3.431 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cnc(C2CC2)c(C)c1 ZINC001238632398 820068021 /nfs/dbraw/zinc/06/80/21/820068021.db2.gz SOLKJZDUHAYGGY-UHFFFAOYSA-N 1 3 289.467 3.431 20 0 CGADHO CCN(CC)Cc1cc(C=C2CC[NH2+]CC2)ccc1F ZINC001240879253 821388105 /nfs/dbraw/zinc/38/81/05/821388105.db2.gz MGSSVCANZUKDGC-UHFFFAOYSA-N 1 3 276.399 3.434 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC001348851654 936936565 /nfs/dbraw/zinc/93/65/65/936936565.db2.gz FJWZFSMLDMBWMQ-FVQBIDKESA-N 1 3 260.425 3.156 20 0 CGADHO COC1(C[NH2+]C[C@@H]2CCCCN(C)C2)CCCCCC1 ZINC001560933294 937238819 /nfs/dbraw/zinc/23/88/19/937238819.db2.gz JKLKAOMHXLHYTN-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001460625244 937536734 /nfs/dbraw/zinc/53/67/34/937536734.db2.gz FNYKTCMIBOOHDW-KRWDZBQOSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001460625244 937536735 /nfs/dbraw/zinc/53/67/35/937536735.db2.gz FNYKTCMIBOOHDW-KRWDZBQOSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001460625247 937537131 /nfs/dbraw/zinc/53/71/31/937537131.db2.gz FNYKTCMIBOOHDW-QGZVFWFLSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001460625247 937537132 /nfs/dbraw/zinc/53/71/32/937537132.db2.gz FNYKTCMIBOOHDW-QGZVFWFLSA-N 1 3 296.499 3.388 20 0 CGADHO C(C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)CN1CCCC1 ZINC000035015739 931950863 /nfs/dbraw/zinc/95/08/63/931950863.db2.gz ISOYSJCLUIEMAA-BBWFWOEESA-N 1 3 264.457 3.421 20 0 CGADHO c1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218502 932006471 /nfs/dbraw/zinc/00/64/71/932006471.db2.gz CJPLEQGDAAATEI-IBGZPJMESA-N 1 3 295.430 3.113 20 0 CGADHO c1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218502 932006475 /nfs/dbraw/zinc/00/64/75/932006475.db2.gz CJPLEQGDAAATEI-IBGZPJMESA-N 1 3 295.430 3.113 20 0 CGADHO Cc1cnc2ccccc2c1NC1CC[NH+](CC(C)C)CC1 ZINC001318927785 933796557 /nfs/dbraw/zinc/79/65/57/933796557.db2.gz JPVRQTCUWCPBBK-UHFFFAOYSA-N 1 3 297.446 3.497 20 0 CGADHO Cc1cnc2ccccc2c1N1CCC[C@@H]([NH+](C)C)C1 ZINC001319130934 933830689 /nfs/dbraw/zinc/83/06/89/933830689.db2.gz SGQUNQQBYOYSLG-CQSZACIVSA-N 1 3 269.392 3.074 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3(C)CC3)CC2)C1 ZINC001319974545 933968623 /nfs/dbraw/zinc/96/86/23/933968623.db2.gz RVHKWEFBBMSKTK-ZFWWWQNUSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCC[C@H]([NH+]2CCC(NC3(C)CC3)CC2)C1 ZINC001319974545 933968634 /nfs/dbraw/zinc/96/86/34/933968634.db2.gz RVHKWEFBBMSKTK-ZFWWWQNUSA-N 1 3 250.430 3.172 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2cc(C)[nH]n2)CC1 ZINC001320021915 933980570 /nfs/dbraw/zinc/98/05/70/933980570.db2.gz CKCYIVICFCTIRP-UHFFFAOYSA-N 1 3 292.471 3.052 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC001322634371 934323023 /nfs/dbraw/zinc/32/30/23/934323023.db2.gz TVXSVWRLYLEUOI-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CC1([NH+]2CCCC2)CCC(NCc2cccc(F)n2)CC1 ZINC001331700725 935404356 /nfs/dbraw/zinc/40/43/56/935404356.db2.gz BTMVTMFNHYFOLO-UHFFFAOYSA-N 1 3 291.414 3.107 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1CCC2 ZINC001331819623 935411898 /nfs/dbraw/zinc/41/18/98/935411898.db2.gz CBONZZPJKLBUOH-GUDVDZBRSA-N 1 3 284.447 3.186 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+]CC[C@@H](C)N(C)C ZINC001474223714 937844684 /nfs/dbraw/zinc/84/46/84/937844684.db2.gz SNZRVFXQJUGQSD-LLVKDONJSA-N 1 3 254.805 3.078 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317659 937850869 /nfs/dbraw/zinc/85/08/69/937850869.db2.gz IWKJPHRYHUMKPY-MAUKXSAKSA-N 1 3 299.462 3.340 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317659 937850871 /nfs/dbraw/zinc/85/08/71/937850871.db2.gz IWKJPHRYHUMKPY-MAUKXSAKSA-N 1 3 299.462 3.340 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2OCc3ccccc32)CC1 ZINC001474752364 937878665 /nfs/dbraw/zinc/87/86/65/937878665.db2.gz WILPBTLLODKAKC-KRWDZBQOSA-N 1 3 288.435 3.110 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)F)C2)C1 ZINC001549548703 938157954 /nfs/dbraw/zinc/15/79/54/938157954.db2.gz YJGJTRGKVHNPBW-HZSPNIEDSA-N 1 3 274.399 3.132 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)F)C2)C1 ZINC001549548711 938158038 /nfs/dbraw/zinc/15/80/38/938158038.db2.gz YJGJTRGKVHNPBW-RDBSUJKOSA-N 1 3 274.399 3.132 20 0 CGADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC001551376937 938180374 /nfs/dbraw/zinc/18/03/74/938180374.db2.gz AEVPTQIFQLLPIT-YEWWUXTCSA-N 1 3 288.435 3.050 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389171 938181021 /nfs/dbraw/zinc/18/10/21/938181021.db2.gz JMZWJAKLFGZFQF-ZLZJIPBDSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CCC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155680 938245460 /nfs/dbraw/zinc/24/54/60/938245460.db2.gz RPPDLLAABOZZLU-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)CCC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155680 938245461 /nfs/dbraw/zinc/24/54/61/938245461.db2.gz RPPDLLAABOZZLU-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)CCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155680 938245462 /nfs/dbraw/zinc/24/54/62/938245462.db2.gz RPPDLLAABOZZLU-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001560623438 938266453 /nfs/dbraw/zinc/26/64/53/938266453.db2.gz XIHQTTHLELNVNO-JQHSSLGASA-N 1 3 286.463 3.414 20 0 CGADHO CC(C)c1ccc(CC[NH2+]C[C@@H]2CN3CCC2CC3)cc1 ZINC001561034017 938290466 /nfs/dbraw/zinc/29/04/66/938290466.db2.gz CSKSAVXHMMBVHO-LJQANCHMSA-N 1 3 286.463 3.284 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001561053695 938292183 /nfs/dbraw/zinc/29/21/83/938292183.db2.gz YXYFBXAFCBJNAK-GRZALLJUSA-N 1 3 290.426 3.077 20 0 CGADHO CC(C)C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCN[C@H]2C1(C)C ZINC001575531533 962371245 /nfs/dbraw/zinc/37/12/45/962371245.db2.gz QIHXOEIBUPBKHZ-GBJTYRQASA-N 1 3 252.446 3.035 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001575421686 962376150 /nfs/dbraw/zinc/37/61/50/962376150.db2.gz BFSGHMRMYBLRJC-LSDHHAIUSA-N 1 3 280.843 3.360 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001575421686 962376178 /nfs/dbraw/zinc/37/61/78/962376178.db2.gz BFSGHMRMYBLRJC-LSDHHAIUSA-N 1 3 280.843 3.360 20 0 CGADHO CC(C)[C@H](CN)C[N@H+](C)CCCCc1ccccc1 ZINC001575423467 962378046 /nfs/dbraw/zinc/37/80/46/962378046.db2.gz UPZDTOPMYUWZEO-QGZVFWFLSA-N 1 3 262.441 3.172 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+](C)CCCCc1ccccc1 ZINC001575423467 962378060 /nfs/dbraw/zinc/37/80/60/962378060.db2.gz UPZDTOPMYUWZEO-QGZVFWFLSA-N 1 3 262.441 3.172 20 0 CGADHO CC(C)CSCCC[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001575616527 962404337 /nfs/dbraw/zinc/40/43/37/962404337.db2.gz APWFWYOQJOZBJD-JKSUJKDBSA-N 1 3 284.513 3.217 20 0 CGADHO CC(C)CSCCC[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001575616527 962404348 /nfs/dbraw/zinc/40/43/48/962404348.db2.gz APWFWYOQJOZBJD-JKSUJKDBSA-N 1 3 284.513 3.217 20 0 CGADHO CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@H]2CCN)C1 ZINC001576427283 962455957 /nfs/dbraw/zinc/45/59/57/962455957.db2.gz VMDKMCHHZMRSBD-GJZGRUSLSA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCC[C@H](C[N@H+]2CCCC[C@H]2CCN)C1 ZINC001576427283 962455962 /nfs/dbraw/zinc/45/59/62/962455962.db2.gz VMDKMCHHZMRSBD-GJZGRUSLSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@H]1C[NH3+] ZINC001576731207 962488589 /nfs/dbraw/zinc/48/85/89/962488589.db2.gz GMKDOSOAKFYMKK-NWDGAFQWSA-N 1 3 290.432 3.024 20 0 CGADHO Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC001579697090 962652868 /nfs/dbraw/zinc/65/28/68/962652868.db2.gz WJWOMTDRTYQJSF-ZFWWWQNUSA-N 1 3 266.816 3.256 20 0 CGADHO Cc1ccccc1-c1ccccc1C[NH2+]C[C@H](C)N ZINC001579784786 962673436 /nfs/dbraw/zinc/67/34/36/962673436.db2.gz RELVAISXNUDWOV-AWEZNQCLSA-N 1 3 254.377 3.099 20 0 CGADHO Cc1ncoc1CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001579888118 962679716 /nfs/dbraw/zinc/67/97/16/962679716.db2.gz OLCOWOTYABYXBA-GDBMZVCRSA-N 1 3 291.439 3.103 20 0 CGADHO [NH3+]CCCNC/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001580298673 962715205 /nfs/dbraw/zinc/71/52/05/962715205.db2.gz WFDOGPMFEXTVAI-YWEYNIOJSA-N 1 3 296.414 3.217 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000337391947 214048943 /nfs/dbraw/zinc/04/89/43/214048943.db2.gz AWHXPAQPCGEQPU-IRXDYDNUSA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC12CCC2)CN1CCCC1 ZINC000337393742 214051119 /nfs/dbraw/zinc/05/11/19/214051119.db2.gz BIDRMXKHFCBOGO-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO CCCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000621728125 349569349 /nfs/dbraw/zinc/56/93/49/349569349.db2.gz BZEGJOVJRJLBTD-CJNGLKHVSA-N 1 3 280.481 3.473 20 0 CGADHO CCCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000621728125 349569353 /nfs/dbraw/zinc/56/93/53/349569353.db2.gz BZEGJOVJRJLBTD-CJNGLKHVSA-N 1 3 280.481 3.473 20 0 CGADHO C[C@]1(C[NH3+])CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000337765650 214252422 /nfs/dbraw/zinc/25/24/22/214252422.db2.gz SJNRDIQTXOSIIQ-LJQANCHMSA-N 1 3 298.430 3.279 20 0 CGADHO C[C@]1(CN)CC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000337765650 214252425 /nfs/dbraw/zinc/25/24/25/214252425.db2.gz SJNRDIQTXOSIIQ-LJQANCHMSA-N 1 3 298.430 3.279 20 0 CGADHO C[C@]1(CN)CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000337765650 214252428 /nfs/dbraw/zinc/25/24/28/214252428.db2.gz SJNRDIQTXOSIIQ-LJQANCHMSA-N 1 3 298.430 3.279 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CC[C@H]1C1CCC1)CN1CCCC1 ZINC000338014154 214360443 /nfs/dbraw/zinc/36/04/43/214360443.db2.gz GCZBEFNXBACEFJ-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO CC[N@H+](CCCNC[C@@H]1CCSC1)C1CCCCC1 ZINC000651910572 398305275 /nfs/dbraw/zinc/30/52/75/398305275.db2.gz ZMSBDOZGVGJYKK-HNNXBMFYSA-N 1 3 284.513 3.374 20 0 CGADHO CC[N@@H+](CCCNC[C@@H]1CCSC1)C1CCCCC1 ZINC000651910572 398305277 /nfs/dbraw/zinc/30/52/77/398305277.db2.gz ZMSBDOZGVGJYKK-HNNXBMFYSA-N 1 3 284.513 3.374 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651911021 398305561 /nfs/dbraw/zinc/30/55/61/398305561.db2.gz XUFFAHRVGVEEIG-XYVMCAHJSA-N 1 3 270.420 3.067 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911021 398305562 /nfs/dbraw/zinc/30/55/62/398305562.db2.gz XUFFAHRVGVEEIG-XYVMCAHJSA-N 1 3 270.420 3.067 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651911496 398306191 /nfs/dbraw/zinc/30/61/91/398306191.db2.gz BUUJJNVUWCGIGB-BYNSBNAKSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911496 398306194 /nfs/dbraw/zinc/30/61/94/398306194.db2.gz BUUJJNVUWCGIGB-BYNSBNAKSA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423476941 529453389 /nfs/dbraw/zinc/45/33/89/529453389.db2.gz SXFOPUVGRCFMDI-WDMOLILDSA-N 1 3 254.805 3.159 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466421 529569497 /nfs/dbraw/zinc/56/94/97/529569497.db2.gz NMNSYQVNHOVTLZ-MLGOLLRUSA-N 1 3 272.392 3.236 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Br)cc1 ZINC000423316053 529611538 /nfs/dbraw/zinc/61/15/38/529611538.db2.gz JQQSTJYYXXIFHQ-KGLIPLIRSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@H]1C[C@@H]1C ZINC000414059457 529626572 /nfs/dbraw/zinc/62/65/72/529626572.db2.gz IPZSJNZRJQRWTR-JQFCIGGWSA-N 1 3 260.425 3.272 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000126195063 187223056 /nfs/dbraw/zinc/22/30/56/187223056.db2.gz XFCZSWLVXVTKRB-LISAXSMJSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126195063 187223058 /nfs/dbraw/zinc/22/30/58/187223058.db2.gz XFCZSWLVXVTKRB-LISAXSMJSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000126195439 187223523 /nfs/dbraw/zinc/22/35/23/187223523.db2.gz XFCZSWLVXVTKRB-CUSZFKRNSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126195439 187223524 /nfs/dbraw/zinc/22/35/24/187223524.db2.gz XFCZSWLVXVTKRB-CUSZFKRNSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432333 349807665 /nfs/dbraw/zinc/80/76/65/349807665.db2.gz NICWUMDXCMHQTB-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432333 349807669 /nfs/dbraw/zinc/80/76/69/349807669.db2.gz NICWUMDXCMHQTB-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO CCS[C@H]1CC[C@@H](N(C)CCC[NH+](CC)CC)C1 ZINC000351470264 219098239 /nfs/dbraw/zinc/09/82/39/219098239.db2.gz BHEDYKVIISPQDF-CABCVRRESA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@H]1CC[C@@H]([N@H+](C)CCCN(CC)CC)C1 ZINC000351470264 219098242 /nfs/dbraw/zinc/09/82/42/219098242.db2.gz BHEDYKVIISPQDF-CABCVRRESA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCN(CC)CC)C1 ZINC000351470264 219098244 /nfs/dbraw/zinc/09/82/44/219098244.db2.gz BHEDYKVIISPQDF-CABCVRRESA-N 1 3 272.502 3.324 20 0 CGADHO CO[C@](C)(CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538701 349829269 /nfs/dbraw/zinc/82/92/69/349829269.db2.gz QSJIIYSPYNBXLE-FUHWJXTLSA-N 1 3 290.451 3.011 20 0 CGADHO CO[C@](C)(CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538701 349829270 /nfs/dbraw/zinc/82/92/70/349829270.db2.gz QSJIIYSPYNBXLE-FUHWJXTLSA-N 1 3 290.451 3.011 20 0 CGADHO CN1CC[C@@H]([NH2+]Cc2cnccc2C(C)(C)C)CC1(C)C ZINC000623549541 349831185 /nfs/dbraw/zinc/83/11/85/349831185.db2.gz FMTXCDUHIRDHKS-OAHLLOKOSA-N 1 3 289.467 3.342 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@H]2CCC[C@@H]21 ZINC000367629378 529806708 /nfs/dbraw/zinc/80/67/08/529806708.db2.gz YDGQXYVEDYFUKL-NEWSRXKRSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@H]2CCC[C@@H]21 ZINC000367629378 529806710 /nfs/dbraw/zinc/80/67/10/529806710.db2.gz YDGQXYVEDYFUKL-NEWSRXKRSA-N 1 3 295.430 3.197 20 0 CGADHO Cc1cc(C[NH2+]C[C@H]2CCCCN(C)C2)c(C)s1 ZINC000623656250 349857661 /nfs/dbraw/zinc/85/76/61/349857661.db2.gz PYEQMTUTZWAXEK-CQSZACIVSA-N 1 3 266.454 3.186 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](C)CCCOCc1ccccc1 ZINC000439487996 529894467 /nfs/dbraw/zinc/89/44/67/529894467.db2.gz XPQQNVSIPXJRPW-SFHVURJKSA-N 1 3 290.451 3.009 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](C)CCCOCc1ccccc1 ZINC000439487996 529894469 /nfs/dbraw/zinc/89/44/69/529894469.db2.gz XPQQNVSIPXJRPW-SFHVURJKSA-N 1 3 290.451 3.009 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000623787814 349883934 /nfs/dbraw/zinc/88/39/34/349883934.db2.gz AQHSXCUIRNYFEW-OLZOCXBDSA-N 1 3 290.373 3.326 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000623787814 349883936 /nfs/dbraw/zinc/88/39/36/349883936.db2.gz AQHSXCUIRNYFEW-OLZOCXBDSA-N 1 3 290.373 3.326 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000423275778 529985859 /nfs/dbraw/zinc/98/58/59/529985859.db2.gz NJSXYYSVYMTJAX-VXGBXAGGSA-N 1 3 288.357 3.082 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)c1cc2ccccc2s1 ZINC000423268761 529986090 /nfs/dbraw/zinc/98/60/90/529986090.db2.gz GJSJCBIZOLSSDO-VXGBXAGGSA-N 1 3 262.422 3.407 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(F)c2ccccc21 ZINC000423268358 529986166 /nfs/dbraw/zinc/98/61/66/529986166.db2.gz GDQPDPWNOIHXRZ-CHWSQXEVSA-N 1 3 274.383 3.485 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)c1cc2ccccc2s1 ZINC000423268760 529998939 /nfs/dbraw/zinc/99/89/39/529998939.db2.gz GJSJCBIZOLSSDO-RYUDHWBXSA-N 1 3 262.422 3.407 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(OC)c2ccccc21 ZINC000423270770 529999740 /nfs/dbraw/zinc/99/97/40/529999740.db2.gz ILDYXZUCHXZBFW-UONOGXRCSA-N 1 3 286.419 3.355 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000044364576 345009536 /nfs/dbraw/zinc/00/95/36/345009536.db2.gz YJVSNWKXWJANJF-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000044532949 345013410 /nfs/dbraw/zinc/01/34/10/345013410.db2.gz UXNPEZOWRDWFKQ-CXAGYDPISA-N 1 3 276.399 3.208 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000044532949 345013412 /nfs/dbraw/zinc/01/34/12/345013412.db2.gz UXNPEZOWRDWFKQ-CXAGYDPISA-N 1 3 276.399 3.208 20 0 CGADHO CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000623987955 349937182 /nfs/dbraw/zinc/93/71/82/349937182.db2.gz USZFMVZBCYDMBY-RDJZCZTQSA-N 1 3 262.441 3.185 20 0 CGADHO CC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000623987953 349937328 /nfs/dbraw/zinc/93/73/28/349937328.db2.gz USZFMVZBCYDMBY-DOTOQJQBSA-N 1 3 262.441 3.185 20 0 CGADHO C[C@@H](O)CC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090087020 345781386 /nfs/dbraw/zinc/78/13/86/345781386.db2.gz XQPCDYXSUQIPDV-OAHLLOKOSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@@H](O)CC(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000090087020 345781390 /nfs/dbraw/zinc/78/13/90/345781390.db2.gz XQPCDYXSUQIPDV-OAHLLOKOSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C(C)C)C2CC2)C1 ZINC000090586840 345790593 /nfs/dbraw/zinc/79/05/93/345790593.db2.gz TWZBWELYLSNZCZ-NVXWUHKLSA-N 1 3 266.473 3.379 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000094279040 345898042 /nfs/dbraw/zinc/89/80/42/345898042.db2.gz DGUVWTDCVYPGQM-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc2ccccc2c1 ZINC000124547158 346012674 /nfs/dbraw/zinc/01/26/74/346012674.db2.gz DBVKZAOOMAFEMC-SUMWQHHRSA-N 1 3 254.377 3.151 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127527080 346032250 /nfs/dbraw/zinc/03/22/50/346032250.db2.gz FBDWHYCXSNTHHE-AWEZNQCLSA-N 1 3 266.404 3.251 20 0 CGADHO CC[NH+](CC)CCCNC[C@H](C)c1ccc(F)cc1 ZINC000127527080 346032254 /nfs/dbraw/zinc/03/22/54/346032254.db2.gz FBDWHYCXSNTHHE-AWEZNQCLSA-N 1 3 266.404 3.251 20 0 CGADHO CC[NH+]1CCC(CNCc2c(Cl)cccc2OC)CC1 ZINC000134784019 346084116 /nfs/dbraw/zinc/08/41/16/346084116.db2.gz MMVJNEFDVMBCFA-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250487086 346385585 /nfs/dbraw/zinc/38/55/85/346385585.db2.gz FDFFPLXVIIHZTI-JKSUJKDBSA-N 1 3 260.425 3.110 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119656 349975148 /nfs/dbraw/zinc/97/51/48/349975148.db2.gz GRXPMMHOAAWGOP-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO C/C=C/CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658316 346555138 /nfs/dbraw/zinc/55/51/38/346555138.db2.gz WAAIRWRDMCHDDW-GILVVUIESA-N 1 3 258.409 3.205 20 0 CGADHO C/C=C/CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658316 346555140 /nfs/dbraw/zinc/55/51/40/346555140.db2.gz WAAIRWRDMCHDDW-GILVVUIESA-N 1 3 258.409 3.205 20 0 CGADHO CCN(CCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000119203298 370653763 /nfs/dbraw/zinc/65/37/63/370653763.db2.gz VVUCAUXHCXKKAT-KRWDZBQOSA-N 1 3 260.425 3.035 20 0 CGADHO CCN(CCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000119203298 370653766 /nfs/dbraw/zinc/65/37/66/370653766.db2.gz VVUCAUXHCXKKAT-KRWDZBQOSA-N 1 3 260.425 3.035 20 0 CGADHO C[C@@H](CSCCF)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000595008174 347255082 /nfs/dbraw/zinc/25/50/82/347255082.db2.gz BQZZJWYASAGWLE-KFWWJZLASA-N 1 3 290.492 3.035 20 0 CGADHO C[C@@H](CSCCF)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000595008174 347255086 /nfs/dbraw/zinc/25/50/86/347255086.db2.gz BQZZJWYASAGWLE-KFWWJZLASA-N 1 3 290.492 3.035 20 0 CGADHO CSCC1(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000596648938 347498006 /nfs/dbraw/zinc/49/80/06/347498006.db2.gz BNPIWRKEGZMYSJ-HUUCEWRRSA-N 1 3 276.449 3.254 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCCCC1 ZINC000624120245 349976492 /nfs/dbraw/zinc/97/64/92/349976492.db2.gz UTDWASASFYAJHW-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2(SC)CCC2)CC1 ZINC000602738351 348021871 /nfs/dbraw/zinc/02/18/71/348021871.db2.gz IUBDYXOSOZPJQH-UHFFFAOYSA-N 1 3 270.486 3.078 20 0 CGADHO CCC1(N(C)C)CC[NH+](CC2(SC)CCC2)CC1 ZINC000602738351 348021873 /nfs/dbraw/zinc/02/18/73/348021873.db2.gz IUBDYXOSOZPJQH-UHFFFAOYSA-N 1 3 270.486 3.078 20 0 CGADHO Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)s1 ZINC000624121235 349978459 /nfs/dbraw/zinc/97/84/59/349978459.db2.gz QPPGBFXBJJTYLV-SMDDNHRTSA-N 1 3 281.469 3.142 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000624122498 349981352 /nfs/dbraw/zinc/98/13/52/349981352.db2.gz SRLMNRKFRBHTBA-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000624122498 349981355 /nfs/dbraw/zinc/98/13/55/349981355.db2.gz SRLMNRKFRBHTBA-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000624122498 349981357 /nfs/dbraw/zinc/98/13/57/349981357.db2.gz SRLMNRKFRBHTBA-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC000624122326 349981446 /nfs/dbraw/zinc/98/14/46/349981446.db2.gz OKVDLIIRTREZGC-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC000624122326 349981449 /nfs/dbraw/zinc/98/14/49/349981449.db2.gz OKVDLIIRTREZGC-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000624122326 349981452 /nfs/dbraw/zinc/98/14/52/349981452.db2.gz OKVDLIIRTREZGC-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000624122527 349981713 /nfs/dbraw/zinc/98/17/13/349981713.db2.gz UBONHGIWYAFMBF-DJIMGWMZSA-N 1 3 264.457 3.277 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123505 349982505 /nfs/dbraw/zinc/98/25/05/349982505.db2.gz NGPXTNISSIOAME-WCVJEAGWSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](CN1CCC[C@@H]1C1CC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000605574337 348162714 /nfs/dbraw/zinc/16/27/14/348162714.db2.gz MSAWJKIOGPYTKF-GBEXYDAJSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@@H](CN1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000605574337 348162717 /nfs/dbraw/zinc/16/27/17/348162717.db2.gz MSAWJKIOGPYTKF-GBEXYDAJSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CCC[C@H]1C1CC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000605574337 348162720 /nfs/dbraw/zinc/16/27/20/348162720.db2.gz MSAWJKIOGPYTKF-GBEXYDAJSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000605574337 348162724 /nfs/dbraw/zinc/16/27/24/348162724.db2.gz MSAWJKIOGPYTKF-GBEXYDAJSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)CN(C)C ZINC000339409386 215152979 /nfs/dbraw/zinc/15/29/79/215152979.db2.gz LSJDYILHOJFRMX-CQSZACIVSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123594 349983402 /nfs/dbraw/zinc/98/34/02/349983402.db2.gz OTLKRZCRALSNGX-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(C)c1 ZINC000624124065 349983366 /nfs/dbraw/zinc/98/33/66/349983366.db2.gz WFJUIGJFOFJMOW-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(CCCc3ccsc3)C2)C1 ZINC000339439268 215173604 /nfs/dbraw/zinc/17/36/04/215173604.db2.gz SUUDLKFWGSNWGF-INIZCTEOSA-N 1 3 278.465 3.098 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(CCCc3ccsc3)C2)C1 ZINC000339439268 215173608 /nfs/dbraw/zinc/17/36/08/215173608.db2.gz SUUDLKFWGSNWGF-INIZCTEOSA-N 1 3 278.465 3.098 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000358141838 233064306 /nfs/dbraw/zinc/06/43/06/233064306.db2.gz ZXEVZMXXFRUDKS-HUUCEWRRSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000358141838 233064308 /nfs/dbraw/zinc/06/43/08/233064308.db2.gz ZXEVZMXXFRUDKS-HUUCEWRRSA-N 1 3 296.817 3.238 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351285 191090774 /nfs/dbraw/zinc/09/07/74/191090774.db2.gz YMFNRQSKFKPSKE-WBVHZDCISA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000271351285 191090777 /nfs/dbraw/zinc/09/07/77/191090777.db2.gz YMFNRQSKFKPSKE-WBVHZDCISA-N 1 3 276.399 3.099 20 0 CGADHO CC(C)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000222934335 571890257 /nfs/dbraw/zinc/89/02/57/571890257.db2.gz ICPAEXBZNMHAPM-OAGGEKHMSA-N 1 3 264.388 3.382 20 0 CGADHO Cc1ccncc1[C@@H](C)[NH2+]C1CCN(CC(C)C)CC1 ZINC000271394613 191114752 /nfs/dbraw/zinc/11/47/52/191114752.db2.gz KKBRMVYURNPJJP-OAHLLOKOSA-N 1 3 275.440 3.161 20 0 CGADHO CCC[C@H](NCCOCC[NH2+]C)c1ccc(Cl)cc1 ZINC000629529110 350702977 /nfs/dbraw/zinc/70/29/77/350702977.db2.gz RVIXLEMFWVHNSB-HNNXBMFYSA-N 1 3 284.831 3.007 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000629406417 350689202 /nfs/dbraw/zinc/68/92/02/350689202.db2.gz REBHDCZSBGQWLE-YJNKEBTESA-N 1 3 258.409 3.053 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418326 350691011 /nfs/dbraw/zinc/69/10/11/350691011.db2.gz WHMZWZFRQHAXGJ-NRSFXHEJSA-N 1 3 272.436 3.128 20 0 CGADHO CCC[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)OCC ZINC000629514574 350700043 /nfs/dbraw/zinc/70/00/43/350700043.db2.gz LMEIXYWRUSYDDW-OWCLPIDISA-N 1 3 270.461 3.092 20 0 CGADHO C[NH+](C)Cc1cccc(-c2cccc([C@@H]3CNCCO3)c2)c1 ZINC000629707458 350747567 /nfs/dbraw/zinc/74/75/67/350747567.db2.gz TWPBQRQCPBJFQZ-IBGZPJMESA-N 1 3 296.414 3.076 20 0 CGADHO C[C@@H]([NH3+])c1ccc(-c2cccc(OCCN(C)C)c2)cc1 ZINC000629700782 350744328 /nfs/dbraw/zinc/74/43/28/350744328.db2.gz NTDKPPPKXVWYOU-CQSZACIVSA-N 1 3 284.403 3.314 20 0 CGADHO [NH3+]C[C@H](NCc1cccc2ncccc12)C1CCCCC1 ZINC000634688370 351573470 /nfs/dbraw/zinc/57/34/70/351573470.db2.gz QKWCHQNBCDULSB-SFHVURJKSA-N 1 3 283.419 3.232 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cccc3ncccc23)[C@H]1CCN ZINC000634688411 351573998 /nfs/dbraw/zinc/57/39/98/351573998.db2.gz ROSKRQUBYMWPII-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@H]1CCN ZINC000634688411 351574002 /nfs/dbraw/zinc/57/40/02/351574002.db2.gz ROSKRQUBYMWPII-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO c1ccc(C(C[NH2+]CC23CC(C2)CN3)c2ccccc2)cc1 ZINC000634996024 351620770 /nfs/dbraw/zinc/62/07/70/351620770.db2.gz WVWGFFGOTZRQCF-UHFFFAOYSA-N 1 3 292.426 3.160 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCCC1 ZINC000635005470 351623957 /nfs/dbraw/zinc/62/39/57/351623957.db2.gz IYBCBDDGLZLZPT-RHSMWYFYSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006810 351624394 /nfs/dbraw/zinc/62/43/94/351624394.db2.gz MWKWHETYKKGYLS-JSGCOSHPSA-N 1 3 288.357 3.267 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000635008234 351626455 /nfs/dbraw/zinc/62/64/55/351626455.db2.gz SIEQPJWYNIZYMY-LSDHHAIUSA-N 1 3 290.451 3.432 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CCC1 ZINC000635009482 351627534 /nfs/dbraw/zinc/62/75/34/351627534.db2.gz VUCHZRRLLQLSLP-DLBZAZTESA-N 1 3 260.425 3.115 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000635012644 351630510 /nfs/dbraw/zinc/63/05/10/351630510.db2.gz UXGLLNRUMQZGEC-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1 ZINC000635012194 351630989 /nfs/dbraw/zinc/63/09/89/351630989.db2.gz RUHLUBBOUBPZJT-CVEARBPZSA-N 1 3 275.440 3.147 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000339844407 215360544 /nfs/dbraw/zinc/36/05/44/215360544.db2.gz YATHDPCIBYVSLD-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000339844407 215360545 /nfs/dbraw/zinc/36/05/45/215360545.db2.gz YATHDPCIBYVSLD-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000122788371 187051704 /nfs/dbraw/zinc/05/17/04/187051704.db2.gz AVLUKLVFLYIXOH-LISAXSMJSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000122788371 187051705 /nfs/dbraw/zinc/05/17/05/187051705.db2.gz AVLUKLVFLYIXOH-LISAXSMJSA-N 1 3 290.451 3.081 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363795105 234000101 /nfs/dbraw/zinc/00/01/01/234000101.db2.gz YAQWVBKLJJIQKW-DJIMGWMZSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363795105 234000103 /nfs/dbraw/zinc/00/01/03/234000103.db2.gz YAQWVBKLJJIQKW-DJIMGWMZSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000363795105 234000107 /nfs/dbraw/zinc/00/01/07/234000107.db2.gz YAQWVBKLJJIQKW-DJIMGWMZSA-N 1 3 290.426 3.363 20 0 CGADHO CCCCN1CCC([NH2+][C@H](C)c2cnccc2C)CC1 ZINC000271559101 191213423 /nfs/dbraw/zinc/21/34/23/191213423.db2.gz NTOXTZVSZQVLPA-OAHLLOKOSA-N 1 3 275.440 3.305 20 0 CGADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000271621676 191246133 /nfs/dbraw/zinc/24/61/33/191246133.db2.gz YPNARRYBNLUBCL-HZPDHXFCSA-N 1 3 275.440 3.161 20 0 CGADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292259014 198220829 /nfs/dbraw/zinc/22/08/29/198220829.db2.gz YKSDUJANEQPKLK-GOSISDBHSA-N 1 3 288.435 3.001 20 0 CGADHO CC(C)Oc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292259014 198220831 /nfs/dbraw/zinc/22/08/31/198220831.db2.gz YKSDUJANEQPKLK-GOSISDBHSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000158653972 188387480 /nfs/dbraw/zinc/38/74/80/188387480.db2.gz OMANFNMRQUXBCS-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000158653972 188387481 /nfs/dbraw/zinc/38/74/81/188387481.db2.gz OMANFNMRQUXBCS-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO Fc1cccc2c1CCC[C@@H]2NC1CC[NH+](C2CC2)CC1 ZINC000459558429 283018664 /nfs/dbraw/zinc/01/86/64/283018664.db2.gz ACXGEFRIDNQWEB-SFHVURJKSA-N 1 3 288.410 3.420 20 0 CGADHO CSCCN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411342004 235049201 /nfs/dbraw/zinc/04/92/01/235049201.db2.gz DVKKYZHCBKQCQJ-UHFFFAOYSA-N 1 3 292.492 3.467 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191355 235358804 /nfs/dbraw/zinc/35/88/04/235358804.db2.gz SKLVSIFFRAWFAO-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191355 235358806 /nfs/dbraw/zinc/35/88/06/235358806.db2.gz SKLVSIFFRAWFAO-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@@H](CN)C2CC2)c2ccsc2S1 ZINC000423275918 291084127 /nfs/dbraw/zinc/08/41/27/291084127.db2.gz MIBVIYVRVDJNAV-AXTRIDKLSA-N 1 3 268.451 3.000 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414934698 235496649 /nfs/dbraw/zinc/49/66/49/235496649.db2.gz FLCKTXGOQOJVOX-UBDQQSCGSA-N 1 3 272.436 3.084 20 0 CGADHO c1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488181 138346075 /nfs/dbraw/zinc/34/60/75/138346075.db2.gz SQSXJNYEGXHVNA-FGTMMUONSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)cc1 ZINC000093488181 138346078 /nfs/dbraw/zinc/34/60/78/138346078.db2.gz SQSXJNYEGXHVNA-FGTMMUONSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000110644837 138363614 /nfs/dbraw/zinc/36/36/14/138363614.db2.gz MKLFZKYJWFZUOS-GHMZBOCLSA-N 1 3 268.351 3.085 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000110644968 138363629 /nfs/dbraw/zinc/36/36/29/138363629.db2.gz TWHNWENJPDPEEK-VXGBXAGGSA-N 1 3 266.816 3.460 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423263602 236013507 /nfs/dbraw/zinc/01/35/07/236013507.db2.gz BDNCYZHGZSUGAM-SMDDNHRTSA-N 1 3 252.427 3.042 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423263599 236013542 /nfs/dbraw/zinc/01/35/42/236013542.db2.gz BDNCYZHGZSUGAM-BXUZGUMPSA-N 1 3 252.427 3.042 20 0 CGADHO C[C@H](NCC(C)(C)[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423287922 236024410 /nfs/dbraw/zinc/02/44/10/236024410.db2.gz PIPMXFZKDYCPET-LPEHRKFASA-N 1 3 272.845 3.220 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423294655 236026723 /nfs/dbraw/zinc/02/67/23/236026723.db2.gz CNJHTCLOVQBGFN-BXUZGUMPSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2c3ccccc3sc21 ZINC000423294655 236026725 /nfs/dbraw/zinc/02/67/25/236026725.db2.gz CNJHTCLOVQBGFN-BXUZGUMPSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1N(C)C ZINC000423265944 236014374 /nfs/dbraw/zinc/01/43/74/236014374.db2.gz BLJXNVGCCXLECX-WOSRLPQWSA-N 1 3 293.430 3.060 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1C(C)(C)C ZINC000423322705 236038353 /nfs/dbraw/zinc/03/83/53/236038353.db2.gz OGWNFLFTMBZOPW-BLLLJJGKSA-N 1 3 260.425 3.372 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCC(C)(C)c2ccccc21 ZINC000423392180 236061124 /nfs/dbraw/zinc/06/11/24/236061124.db2.gz LGWLVUUQEWTIGY-XYPHTWIQSA-N 1 3 272.436 3.387 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423392180 236061127 /nfs/dbraw/zinc/06/11/27/236061127.db2.gz LGWLVUUQEWTIGY-XYPHTWIQSA-N 1 3 272.436 3.387 20 0 CGADHO C[C@H](Cc1coc2ccccc12)NCC[C@H]1CCC[NH2+]1 ZINC000423363701 236050301 /nfs/dbraw/zinc/05/03/01/236050301.db2.gz UXCJFPIIRPQRLL-UKRRQHHQSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423361460 236050311 /nfs/dbraw/zinc/05/03/11/236050311.db2.gz GVUSSMUUGXYDLN-OBCVZTRHSA-N 1 3 258.409 3.038 20 0 CGADHO COc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c(C)c1 ZINC000423374406 236054112 /nfs/dbraw/zinc/05/41/12/236054112.db2.gz IKYRDGOYMLCLEQ-CQSZACIVSA-N 1 3 296.414 3.458 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423438861 236071319 /nfs/dbraw/zinc/07/13/19/236071319.db2.gz NOUZJSGZNCQIBL-JMPLFQLZSA-N 1 3 280.362 3.004 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]CCCNC2CC2)C2CC2)cc1 ZINC000423520258 236092446 /nfs/dbraw/zinc/09/24/46/236092446.db2.gz DYWSURDLFDLVKD-SFHVURJKSA-N 1 3 272.436 3.048 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccsc1 ZINC000294380975 199018538 /nfs/dbraw/zinc/01/85/38/199018538.db2.gz IINLEBXCVZYTOU-ZDUSSCGKSA-N 1 3 254.443 3.377 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436303518 237076770 /nfs/dbraw/zinc/07/67/70/237076770.db2.gz CTDXRUBIFDGWOT-OCCSQVGLSA-N 1 3 289.398 3.269 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423085748 283479286 /nfs/dbraw/zinc/47/92/86/283479286.db2.gz LHOXZWCATBASIP-OHFALNGGSA-N 1 3 276.399 3.179 20 0 CGADHO CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000341969462 216170150 /nfs/dbraw/zinc/17/01/50/216170150.db2.gz PDTZYPMJLHSMCL-LALPHHSUSA-N 1 3 296.455 3.366 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc2ccccc2c1 ZINC000342131799 216231577 /nfs/dbraw/zinc/23/15/77/216231577.db2.gz MHUACQNJAAJHGO-ZDUSSCGKSA-N 1 3 254.377 3.372 20 0 CGADHO COc1ccc2cc([C@@H](C)[NH2+]CC3(N)CCC3)ccc2c1 ZINC000342135821 216234946 /nfs/dbraw/zinc/23/49/46/216234946.db2.gz QISXRKTWUNNXCZ-CYBMUJFWSA-N 1 3 284.403 3.380 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)cc1 ZINC000342172947 216245451 /nfs/dbraw/zinc/24/54/51/216245451.db2.gz SJESKJFLRZZFFK-CYBMUJFWSA-N 1 3 252.789 3.262 20 0 CGADHO CC[NH+](CC)[C@@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000301451762 201012928 /nfs/dbraw/zinc/01/29/28/201012928.db2.gz GBUPIZJVXYQKKJ-OAHLLOKOSA-N 1 3 283.419 3.464 20 0 CGADHO COCC1CCC([NH2+]Cc2ccc(CN(C)C)cc2)CC1 ZINC000449061707 239152879 /nfs/dbraw/zinc/15/28/79/239152879.db2.gz JLEUTKPOUYCGPA-UHFFFAOYSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000449251513 239269669 /nfs/dbraw/zinc/26/96/69/239269669.db2.gz OSCOKZKMGBIRMQ-OAHLLOKOSA-N 1 3 299.418 3.112 20 0 CGADHO Cc1cccc(CNCCCCC[NH+]2CCCC2)c1F ZINC000449344553 239330494 /nfs/dbraw/zinc/33/04/94/239330494.db2.gz RMSJAESKSKPVHD-UHFFFAOYSA-N 1 3 278.415 3.490 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275607569 193085116 /nfs/dbraw/zinc/08/51/16/193085116.db2.gz QVEVUBPEGVKMMP-MOPGFXCFSA-N 1 3 284.447 3.249 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000459431669 242105563 /nfs/dbraw/zinc/10/55/63/242105563.db2.gz SHGRTLQRKYPHGV-JKSUJKDBSA-N 1 3 280.843 3.345 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@H](NCCc2cccc(Cl)c2)C1 ZINC000459431669 242105567 /nfs/dbraw/zinc/10/55/67/242105567.db2.gz SHGRTLQRKYPHGV-JKSUJKDBSA-N 1 3 280.843 3.345 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553254 242129680 /nfs/dbraw/zinc/12/96/80/242129680.db2.gz XLXJOSNHGUFSDC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553254 242129684 /nfs/dbraw/zinc/12/96/84/242129684.db2.gz XLXJOSNHGUFSDC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553254 242129689 /nfs/dbraw/zinc/12/96/89/242129689.db2.gz XLXJOSNHGUFSDC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553254 242129691 /nfs/dbraw/zinc/12/96/91/242129691.db2.gz XLXJOSNHGUFSDC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO Cc1cc(NCC[NH+]2CCCC2)c2ccccc2n1 ZINC000019721709 368761948 /nfs/dbraw/zinc/76/19/48/368761948.db2.gz QNCGEBJTEZQKGI-UHFFFAOYSA-N 1 3 255.365 3.051 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1C ZINC000021802307 368809892 /nfs/dbraw/zinc/80/98/92/368809892.db2.gz AXFGUCVFJIDUIP-INIZCTEOSA-N 1 3 260.425 3.440 20 0 CGADHO c1ccc(C2CC(NCCC[NH+]3CCCCC3)C2)cc1 ZINC000036840503 369031681 /nfs/dbraw/zinc/03/16/81/369031681.db2.gz SRHIHVQUYLEDPG-UHFFFAOYSA-N 1 3 272.436 3.398 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908182 369037477 /nfs/dbraw/zinc/03/74/77/369037477.db2.gz IXDJTMHCCFPVMH-MBNYWOFBSA-N 1 3 298.377 3.106 20 0 CGADHO CCc1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000035009794 368988096 /nfs/dbraw/zinc/98/80/96/368988096.db2.gz WBSSNLWNVXNEQB-AWEZNQCLSA-N 1 3 260.425 3.384 20 0 CGADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037648866 369095153 /nfs/dbraw/zinc/09/51/53/369095153.db2.gz RQRJZADIWUZDCW-GJZGRUSLSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648866 369095158 /nfs/dbraw/zinc/09/51/58/369095158.db2.gz RQRJZADIWUZDCW-GJZGRUSLSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C)o1 ZINC000037648961 369095738 /nfs/dbraw/zinc/09/57/38/369095738.db2.gz PIELYJYXQPGWCS-OCCSQVGLSA-N 1 3 262.397 3.031 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049553322 369409348 /nfs/dbraw/zinc/40/93/48/369409348.db2.gz DVZFTNWUJIGQJZ-KBPBESRZSA-N 1 3 264.413 3.076 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000219151592 376196443 /nfs/dbraw/zinc/19/64/43/376196443.db2.gz YNPBHGRFFLKCRR-HNNXBMFYSA-N 1 3 260.425 3.458 20 0 CGADHO C[NH2+]CCC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000070188923 369788037 /nfs/dbraw/zinc/78/80/37/369788037.db2.gz OIYACPWJCRJXPI-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO CCCCN1CCC([NH2+]Cc2sc(C)nc2C)CC1 ZINC000076867840 369944203 /nfs/dbraw/zinc/94/42/03/369944203.db2.gz VTLPLUMDMULSSX-UHFFFAOYSA-N 1 3 281.469 3.114 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc3ccccc32)CC[N@@H+]1C ZINC000090721206 370067132 /nfs/dbraw/zinc/06/71/32/370067132.db2.gz CNSBBWBBFIWYBW-YOEHRIQHSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc3ccccc32)CC[N@H+]1C ZINC000090721206 370067136 /nfs/dbraw/zinc/06/71/36/370067136.db2.gz CNSBBWBBFIWYBW-YOEHRIQHSA-N 1 3 268.404 3.412 20 0 CGADHO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000090725654 370068792 /nfs/dbraw/zinc/06/87/92/370068792.db2.gz DKOCUKWXFXHOPH-KBPBESRZSA-N 1 3 296.480 3.029 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2coc3ccccc23)CC1 ZINC000093088777 370108186 /nfs/dbraw/zinc/10/81/86/370108186.db2.gz BIEPVKFJXJWUNM-UHFFFAOYSA-N 1 3 272.392 3.206 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2coc3ccccc23)CC1 ZINC000093088777 370108189 /nfs/dbraw/zinc/10/81/89/370108189.db2.gz BIEPVKFJXJWUNM-UHFFFAOYSA-N 1 3 272.392 3.206 20 0 CGADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)o1 ZINC000093639077 370149957 /nfs/dbraw/zinc/14/99/57/370149957.db2.gz VFLHHPMNNVMBJQ-BBRMVZONSA-N 1 3 264.413 3.004 20 0 CGADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)o1 ZINC000093639077 370149963 /nfs/dbraw/zinc/14/99/63/370149963.db2.gz VFLHHPMNNVMBJQ-BBRMVZONSA-N 1 3 264.413 3.004 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000129869531 371004126 /nfs/dbraw/zinc/00/41/26/371004126.db2.gz SDPBFQXTUWSIHY-UHFFFAOYSA-N 1 3 298.377 3.110 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc2ccccc2c1 ZINC000131738957 371126983 /nfs/dbraw/zinc/12/69/83/371126983.db2.gz DOSDGTXNXXVGER-DZGCQCFKSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000131738957 371126990 /nfs/dbraw/zinc/12/69/90/371126990.db2.gz DOSDGTXNXXVGER-DZGCQCFKSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131738957 371126994 /nfs/dbraw/zinc/12/69/94/371126994.db2.gz DOSDGTXNXXVGER-DZGCQCFKSA-N 1 3 254.377 3.009 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000133561004 371262387 /nfs/dbraw/zinc/26/23/87/371262387.db2.gz RQDRZRCRXJDVNC-WMZOPIPTSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000537852090 376204992 /nfs/dbraw/zinc/20/49/92/376204992.db2.gz UMLHTOPBCOOWFJ-ZACQAIPSSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000537852090 376205001 /nfs/dbraw/zinc/20/50/01/376205001.db2.gz UMLHTOPBCOOWFJ-ZACQAIPSSA-N 1 3 264.457 3.230 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cccnc2C)CC1 ZINC000134171367 371309341 /nfs/dbraw/zinc/30/93/41/371309341.db2.gz KWBCHJWJKFNTAP-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cccnc2C)CC1 ZINC000134171367 371309348 /nfs/dbraw/zinc/30/93/48/371309348.db2.gz KWBCHJWJKFNTAP-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CC(C)(C)C1CCC(CN2CCC([NH3+])CC2)CC1 ZINC000135293816 371410774 /nfs/dbraw/zinc/41/07/74/371410774.db2.gz FHSFZJWJOPVRNN-UHFFFAOYSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)(C)C1CCC(C[NH+]2CCC(N)CC2)CC1 ZINC000135293816 371410776 /nfs/dbraw/zinc/41/07/76/371410776.db2.gz FHSFZJWJOPVRNN-UHFFFAOYSA-N 1 3 252.446 3.262 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150052420 371530396 /nfs/dbraw/zinc/53/03/96/371530396.db2.gz VNXOHEMWGQSEJD-UHFFFAOYSA-N 1 3 270.367 3.302 20 0 CGADHO CCc1ccc(CNCCC2CC[NH+](CC)CC2)o1 ZINC000150845851 371542874 /nfs/dbraw/zinc/54/28/74/371542874.db2.gz WKSSFIHNSLQLBQ-UHFFFAOYSA-N 1 3 264.413 3.054 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC000151114045 371569879 /nfs/dbraw/zinc/56/98/79/371569879.db2.gz GDJFZEZHRBTDOO-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO COc1ccc([C@@H](C)NCCC[NH+](C)C)c2ccccc12 ZINC000151921383 371652691 /nfs/dbraw/zinc/65/26/91/371652691.db2.gz FLORSSGKQXTJTN-CQSZACIVSA-N 1 3 286.419 3.451 20 0 CGADHO COC1([C@@H](C)NCCC[NH+](C(C)C)C(C)C)CCCC1 ZINC000421831064 371656434 /nfs/dbraw/zinc/65/64/34/371656434.db2.gz KVXJRIYYIDVOQU-MRXNPFEDSA-N 1 3 284.488 3.433 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000153014260 371744065 /nfs/dbraw/zinc/74/40/65/371744065.db2.gz MFFQDQLCQZRMIC-ZMSDIMECSA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000153014260 371744073 /nfs/dbraw/zinc/74/40/73/371744073.db2.gz MFFQDQLCQZRMIC-ZMSDIMECSA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000153014260 371744082 /nfs/dbraw/zinc/74/40/82/371744082.db2.gz MFFQDQLCQZRMIC-ZMSDIMECSA-N 1 3 272.436 3.475 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)c2ccccc21 ZINC000422696788 371757577 /nfs/dbraw/zinc/75/75/77/371757577.db2.gz SLJPDAZSIRIBII-DLBZAZTESA-N 1 3 288.341 3.242 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000422709939 371763652 /nfs/dbraw/zinc/76/36/52/371763652.db2.gz ZYGINDKFKBYSBM-MBNYWOFBSA-N 1 3 261.413 3.078 20 0 CGADHO Cc1ccccc1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422764999 371792612 /nfs/dbraw/zinc/79/26/12/371792612.db2.gz VSYDUNVBSACOSE-AWEZNQCLSA-N 1 3 283.419 3.050 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422720188 371768519 /nfs/dbraw/zinc/76/85/19/371768519.db2.gz ZXMLXDSJDRPHEQ-WMZOPIPTSA-N 1 3 296.499 3.484 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422727809 371769515 /nfs/dbraw/zinc/76/95/15/371769515.db2.gz HYZGOZJJBBKPJN-FPCVCCKLSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1nccc2ccccc21 ZINC000289629701 371777578 /nfs/dbraw/zinc/77/75/78/371777578.db2.gz HFNXMHWROOIHMZ-AWEZNQCLSA-N 1 3 285.435 3.473 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCSc1ccc(F)cc1 ZINC000422751511 371784880 /nfs/dbraw/zinc/78/48/80/371784880.db2.gz CUZRZGCGVXDPSE-RYUDHWBXSA-N 1 3 270.417 3.023 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCCSc1ccc(F)cc1 ZINC000422751511 371784885 /nfs/dbraw/zinc/78/48/85/371784885.db2.gz CUZRZGCGVXDPSE-RYUDHWBXSA-N 1 3 270.417 3.023 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCNc1ccccc1 ZINC000422750016 371784909 /nfs/dbraw/zinc/78/49/09/371784909.db2.gz BWLQJKKTBDQFAL-CQSZACIVSA-N 1 3 298.434 3.002 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1ccc(F)c(F)c1 ZINC000337340589 214017618 /nfs/dbraw/zinc/01/76/18/214017618.db2.gz TYPNMQVUKCLELZ-UHFFFAOYSA-N 1 3 270.367 3.129 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(F)c(F)c1 ZINC000337340589 214017621 /nfs/dbraw/zinc/01/76/21/214017621.db2.gz TYPNMQVUKCLELZ-UHFFFAOYSA-N 1 3 270.367 3.129 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1cccc(Cl)c1 ZINC000422826622 371831198 /nfs/dbraw/zinc/83/11/98/371831198.db2.gz RCXNGBQXIZRNKA-VXGBXAGGSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422826622 371831204 /nfs/dbraw/zinc/83/12/04/371831204.db2.gz RCXNGBQXIZRNKA-VXGBXAGGSA-N 1 3 268.832 3.333 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774916 371799530 /nfs/dbraw/zinc/79/95/30/371799530.db2.gz YXTKTYFLVRZSKY-XJKSGUPXSA-N 1 3 292.854 3.479 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@@H]2CCNCC[C@H]2C)c1 ZINC000422777111 371801091 /nfs/dbraw/zinc/80/10/91/371801091.db2.gz FGAVPFPJACTXEZ-BFYDXBDKSA-N 1 3 260.425 3.076 20 0 CGADHO Cc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422778976 371801350 /nfs/dbraw/zinc/80/13/50/371801350.db2.gz BISBZLPMHUHLDK-CCKFTAQKSA-N 1 3 296.414 3.497 20 0 CGADHO COc1ccc([C@H](N[C@@H](C)C[C@@H](C)[NH3+])C(C)C)cc1 ZINC000422780560 371804159 /nfs/dbraw/zinc/80/41/59/371804159.db2.gz HRPRIEJLBDLJPP-DVOMOZLQSA-N 1 3 264.413 3.108 20 0 CGADHO Cc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422785439 371806839 /nfs/dbraw/zinc/80/68/39/371806839.db2.gz JSBFNXOPGIEWDT-OLMNPRSZSA-N 1 3 296.414 3.497 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1cccc2cccnc21 ZINC000422816629 371826919 /nfs/dbraw/zinc/82/69/19/371826919.db2.gz FMEZHFVWFKZWBY-IRXDYDNUSA-N 1 3 283.419 3.027 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422945290 371884955 /nfs/dbraw/zinc/88/49/55/371884955.db2.gz NJQPNXXVXCARGQ-RHSMWYFYSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422945290 371884956 /nfs/dbraw/zinc/88/49/56/371884956.db2.gz NJQPNXXVXCARGQ-RHSMWYFYSA-N 1 3 290.451 3.050 20 0 CGADHO CSc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422877528 371850366 /nfs/dbraw/zinc/85/03/66/371850366.db2.gz HZAASFBOOACFJE-LSDHHAIUSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@H]([NH2+]CC1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000537918788 376208815 /nfs/dbraw/zinc/20/88/15/376208815.db2.gz LVXVJMBZPXLYSZ-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882823 371852095 /nfs/dbraw/zinc/85/20/95/371852095.db2.gz BBHMFLCDYRNUEX-IEBWSBKVSA-N 1 3 298.430 3.326 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCCOc1ccc2ccccc2c1 ZINC000422892968 371856972 /nfs/dbraw/zinc/85/69/72/371856972.db2.gz ZYUWOQHKGZIYOO-ZWKOTPCHSA-N 1 3 284.403 3.078 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c2ccccc21 ZINC000422915063 371865624 /nfs/dbraw/zinc/86/56/24/371865624.db2.gz AOAIQKAHMXXIDQ-PIKADFDJSA-N 1 3 278.399 3.352 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc2ccccc21 ZINC000422917377 371867289 /nfs/dbraw/zinc/86/72/89/371867289.db2.gz DNZOZZIMSRJUHC-KBXCAEBGSA-N 1 3 268.404 3.318 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C)CCCCC1 ZINC000422924355 371873614 /nfs/dbraw/zinc/87/36/14/371873614.db2.gz ARRKRXNXXMWKEV-CYBMUJFWSA-N 1 3 275.440 3.470 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422930543 371876196 /nfs/dbraw/zinc/87/61/96/371876196.db2.gz UXTWPGCEZJOSEU-HUUCEWRRSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC1(c2ccc(Cl)cc2)CCC1 ZINC000422933483 371877331 /nfs/dbraw/zinc/87/73/31/371877331.db2.gz DNNANEDMXFSHMI-RYUDHWBXSA-N 1 3 266.816 3.435 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccccc1-c1ccccc1 ZINC000422943288 371883586 /nfs/dbraw/zinc/88/35/86/371883586.db2.gz XVHUTSQLRJKAEY-HZPDHXFCSA-N 1 3 298.430 3.448 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422855326 371842417 /nfs/dbraw/zinc/84/24/17/371842417.db2.gz CHJKUCRHGNWWTH-DOTOQJQBSA-N 1 3 274.452 3.380 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422861293 371842556 /nfs/dbraw/zinc/84/25/56/371842556.db2.gz OBEOXOSFVVSMNN-ONYGOOLBSA-N 1 3 270.420 3.327 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423047361 371934833 /nfs/dbraw/zinc/93/48/33/371934833.db2.gz VBANSFOQKMBHRB-JQHSSLGASA-N 1 3 288.410 3.479 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423053024 371935456 /nfs/dbraw/zinc/93/54/56/371935456.db2.gz RUGKMPWIUJPTBA-XJKSGUPXSA-N 1 3 272.392 3.001 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000423053887 371937458 /nfs/dbraw/zinc/93/74/58/371937458.db2.gz SJQUAERWSXSKEJ-LSDHHAIUSA-N 1 3 278.465 3.207 20 0 CGADHO CSCc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423059901 371939727 /nfs/dbraw/zinc/93/97/27/371939727.db2.gz NCKPFKBXPQNKJC-BBRMVZONSA-N 1 3 278.465 3.027 20 0 CGADHO C[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)Oc1ccccc1 ZINC000422985000 371903886 /nfs/dbraw/zinc/90/38/86/371903886.db2.gz ZXLFEZXUBCNABU-FSPWUOQZSA-N 1 3 282.387 3.188 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423009841 371914827 /nfs/dbraw/zinc/91/48/27/371914827.db2.gz FCHWNJJEGBQYHT-LRDDRELGSA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423009841 371914830 /nfs/dbraw/zinc/91/48/30/371914830.db2.gz FCHWNJJEGBQYHT-LRDDRELGSA-N 1 3 294.389 3.104 20 0 CGADHO CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423019309 371919037 /nfs/dbraw/zinc/91/90/37/371919037.db2.gz VBOJFIJDVLUXJM-JSGCOSHPSA-N 1 3 298.434 3.218 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423064253 371944090 /nfs/dbraw/zinc/94/40/90/371944090.db2.gz YPSVFYXBFOVYHD-KBPBESRZSA-N 1 3 298.352 3.206 20 0 CGADHO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CCCCN1 ZINC000423025979 371922261 /nfs/dbraw/zinc/92/22/61/371922261.db2.gz PPFGYTCRKRELOF-GXTWGEPZSA-N 1 3 295.496 3.103 20 0 CGADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@H](C)C[C@H](C)[NH3+] ZINC000423038545 371928300 /nfs/dbraw/zinc/92/83/00/371928300.db2.gz CZXSXXIOURLZIJ-QJPTWQEYSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)C[C@H](C)N ZINC000423038545 371928302 /nfs/dbraw/zinc/92/83/02/371928302.db2.gz CZXSXXIOURLZIJ-QJPTWQEYSA-N 1 3 288.357 3.352 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044547 371929448 /nfs/dbraw/zinc/92/94/48/371929448.db2.gz BHDSTQKXRSSEBU-KBPBESRZSA-N 1 3 268.351 3.374 20 0 CGADHO Fc1ccccc1[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423092889 371957676 /nfs/dbraw/zinc/95/76/76/371957676.db2.gz DTROLCROSCKROI-WDFJATGCSA-N 1 3 288.410 3.334 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093602 371957893 /nfs/dbraw/zinc/95/78/93/371957893.db2.gz IEBVOTACVZZPSQ-OEUWWYETSA-N 1 3 276.399 3.049 20 0 CGADHO Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000423096026 371960280 /nfs/dbraw/zinc/96/02/80/371960280.db2.gz NTAUSVPSWFPNKP-KFWWJZLASA-N 1 3 276.399 3.194 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423100280 371962323 /nfs/dbraw/zinc/96/23/23/371962323.db2.gz UZZUGNFUZJJDHB-NGFQHRJXSA-N 1 3 264.800 3.055 20 0 CGADHO c1cc2cc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423098734 371963233 /nfs/dbraw/zinc/96/32/33/371963233.db2.gz LCQNGDCMGIHJBD-QRQLOZEOSA-N 1 3 297.446 3.221 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423099865 371963786 /nfs/dbraw/zinc/96/37/86/371963786.db2.gz BBVZBLVEBLEGNA-YNEHKIRRSA-N 1 3 290.373 3.229 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423103111 371965729 /nfs/dbraw/zinc/96/57/29/371965729.db2.gz XPFKQLCMAMHBHZ-MXAVVETBSA-N 1 3 298.352 3.421 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423103188 371967958 /nfs/dbraw/zinc/96/79/58/371967958.db2.gz KWVGSHJLCNJTDU-UKRRQHHQSA-N 1 3 291.826 3.012 20 0 CGADHO FC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCC1 ZINC000423115730 371974462 /nfs/dbraw/zinc/97/44/62/371974462.db2.gz YPGHVGCZTRMUNW-RBSFLKMASA-N 1 3 268.420 3.169 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@@H](C)N)c(C)c1 ZINC000423125066 371978426 /nfs/dbraw/zinc/97/84/26/371978426.db2.gz HIRLWAHUIOMDND-HUUCEWRRSA-N 1 3 262.441 3.296 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000423125066 371978433 /nfs/dbraw/zinc/97/84/33/371978433.db2.gz HIRLWAHUIOMDND-HUUCEWRRSA-N 1 3 262.441 3.296 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC000290399399 371980204 /nfs/dbraw/zinc/98/02/04/371980204.db2.gz JGDXTRBGAVPNLE-INIZCTEOSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC000290399399 371980211 /nfs/dbraw/zinc/98/02/11/371980211.db2.gz JGDXTRBGAVPNLE-INIZCTEOSA-N 1 3 297.446 3.332 20 0 CGADHO C[C@H](NC[C@H]1CCCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423127589 371980739 /nfs/dbraw/zinc/98/07/39/371980739.db2.gz JSNXGUQYXRCQRI-MELADBBJSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(C(C)(C)C)C1 ZINC000423132041 371983005 /nfs/dbraw/zinc/98/30/05/371983005.db2.gz ISYBCFIDNIDKOF-MFNRNEDNSA-N 1 3 274.452 3.359 20 0 CGADHO COC[C@H](N[C@@H](C)CCCC[NH3+])c1cccc(Cl)c1 ZINC000423130426 371983444 /nfs/dbraw/zinc/98/34/44/371983444.db2.gz YGZRFBIRKZYIIG-WFASDCNBSA-N 1 3 284.831 3.135 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290430592 371988146 /nfs/dbraw/zinc/98/81/46/371988146.db2.gz LHJKCPCQYAVDQS-AEFFLSMTSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290430592 371988152 /nfs/dbraw/zinc/98/81/52/371988152.db2.gz LHJKCPCQYAVDQS-AEFFLSMTSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173221 372002999 /nfs/dbraw/zinc/00/29/99/372002999.db2.gz XMOZCILCCPNHJP-RBDSIQFVSA-N 1 3 296.817 3.313 20 0 CGADHO Cc1cccc(CN[C@@H](C)CCCC[NH3+])c1Br ZINC000423067808 371945380 /nfs/dbraw/zinc/94/53/80/371945380.db2.gz IPMVSZINJAGBEQ-LBPRGKRZSA-N 1 3 299.256 3.365 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C(C)C)C(C)C ZINC000423071168 371947335 /nfs/dbraw/zinc/94/73/35/371947335.db2.gz ODRDJCWIDNSCAB-CYBMUJFWSA-N 1 3 277.456 3.428 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C2CC2)cc1 ZINC000423071152 371947431 /nfs/dbraw/zinc/94/74/31/371947431.db2.gz HHLMILZAPPPENZ-GUYCJALGSA-N 1 3 258.409 3.042 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccccc1OC(F)F ZINC000423072234 371948141 /nfs/dbraw/zinc/94/81/41/371948141.db2.gz PMAGSGSBVWJQBU-UONOGXRCSA-N 1 3 298.377 3.080 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1ccc(Cl)cc1 ZINC000423074690 371950140 /nfs/dbraw/zinc/95/01/40/371950140.db2.gz MPHNVXYOGWEOGZ-XEZPLFJOSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423074690 371950147 /nfs/dbraw/zinc/95/01/47/371950147.db2.gz MPHNVXYOGWEOGZ-XEZPLFJOSA-N 1 3 296.842 3.214 20 0 CGADHO CC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000423080491 371952226 /nfs/dbraw/zinc/95/22/26/371952226.db2.gz AHEHWLYLTRNPPC-SOUVJXGZSA-N 1 3 250.430 3.077 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000423081106 371952640 /nfs/dbraw/zinc/95/26/40/371952640.db2.gz BEHDUJRDGGSZAD-XOKHGSTOSA-N 1 3 276.399 3.310 20 0 CGADHO [NH3+]CCCN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423193911 372019200 /nfs/dbraw/zinc/01/92/00/372019200.db2.gz QZHOZBLUFDUMQL-KRWDZBQOSA-N 1 3 290.357 3.187 20 0 CGADHO CNCCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423198994 372023284 /nfs/dbraw/zinc/02/32/84/372023284.db2.gz JAHJEEJUAVBTGX-DZGCQCFKSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423198994 372023287 /nfs/dbraw/zinc/02/32/87/372023287.db2.gz JAHJEEJUAVBTGX-DZGCQCFKSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](C[NH3+])N[C@H]1CCCc2c3ccccc3sc21 ZINC000423340798 372053436 /nfs/dbraw/zinc/05/34/36/372053436.db2.gz XJZSXFUHXMERNE-MFKMUULPSA-N 1 3 260.406 3.216 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000423376943 372055453 /nfs/dbraw/zinc/05/54/53/372055453.db2.gz JLKRVSUCYVTQMX-IJEWVQPXSA-N 1 3 262.372 3.063 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C(C)C)cc1 ZINC000423364835 372056697 /nfs/dbraw/zinc/05/66/97/372056697.db2.gz BJEDCVVFQWBJDM-NXHRZFHOSA-N 1 3 274.452 3.292 20 0 CGADHO c1coc([C@@H]2C[C@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423174879 372004297 /nfs/dbraw/zinc/00/42/97/372004297.db2.gz CVHORYRUXNIUAD-WCXIOVBPSA-N 1 3 282.387 3.218 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423182647 372010459 /nfs/dbraw/zinc/01/04/59/372010459.db2.gz QURQODADFKCYEE-HOCLYGCPSA-N 1 3 276.424 3.014 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+]C3CCNCC3)ccc2c1 ZINC000423184579 372013657 /nfs/dbraw/zinc/01/36/57/372013657.db2.gz MBVFXKWGGUWIOK-ZDUSSCGKSA-N 1 3 284.403 3.251 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000424377353 372085463 /nfs/dbraw/zinc/08/54/63/372085463.db2.gz MLMHBOHKTOZHJV-SLBVQIDZSA-N 1 3 250.430 3.075 20 0 CGADHO FC1(F)CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000334724179 294713091 /nfs/dbraw/zinc/71/30/91/294713091.db2.gz FVLXTRRDGBOZDT-UHFFFAOYSA-N 1 3 295.377 3.218 20 0 CGADHO CC(C)CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349233 372353401 /nfs/dbraw/zinc/35/34/01/372353401.db2.gz MGADBFVQONYCAF-DOTOQJQBSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000429349233 372353406 /nfs/dbraw/zinc/35/34/06/372353406.db2.gz MGADBFVQONYCAF-DOTOQJQBSA-N 1 3 264.457 3.371 20 0 CGADHO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)ccc1SC ZINC000293318500 372354329 /nfs/dbraw/zinc/35/43/29/372354329.db2.gz FNAFIFJEVZGWGG-CHWSQXEVSA-N 1 3 296.480 3.265 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431015820 372416304 /nfs/dbraw/zinc/41/63/04/372416304.db2.gz XHZYHUNBGOBBCB-ZDUSSCGKSA-N 1 3 278.827 3.477 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCSc2ccccc21)CN(C)C ZINC000293660961 372441125 /nfs/dbraw/zinc/44/11/25/372441125.db2.gz LXKZRNDTCYPEAS-TZMCWYRMSA-N 1 3 264.438 3.011 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccccc1Cl ZINC000166036566 372562100 /nfs/dbraw/zinc/56/21/00/372562100.db2.gz PDMHTBSWECKKIA-UONOGXRCSA-N 1 3 298.858 3.347 20 0 CGADHO CC[C@@H](NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000166506371 372574900 /nfs/dbraw/zinc/57/49/00/372574900.db2.gz LGGDEUNGMIERMM-QGZVFWFLSA-N 1 3 276.399 3.493 20 0 CGADHO Cc1cc(OCCN2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C(C)C ZINC000168684062 372616593 /nfs/dbraw/zinc/61/65/93/372616593.db2.gz GMZSWVOOKLRXSO-HZPDHXFCSA-N 1 3 290.451 3.166 20 0 CGADHO Cc1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccn1 ZINC000435586423 372780178 /nfs/dbraw/zinc/78/01/78/372780178.db2.gz AYIPNRGGMUOMEY-QGZVFWFLSA-N 1 3 273.424 3.021 20 0 CGADHO Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC000435586423 372780183 /nfs/dbraw/zinc/78/01/83/372780183.db2.gz AYIPNRGGMUOMEY-QGZVFWFLSA-N 1 3 273.424 3.021 20 0 CGADHO CCN(CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624759 372786884 /nfs/dbraw/zinc/78/68/84/372786884.db2.gz KCJPETDCDUWGAX-INIZCTEOSA-N 1 3 294.414 3.059 20 0 CGADHO CC[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000435624759 372786892 /nfs/dbraw/zinc/78/68/92/372786892.db2.gz KCJPETDCDUWGAX-INIZCTEOSA-N 1 3 294.414 3.059 20 0 CGADHO CC[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000435624759 372786900 /nfs/dbraw/zinc/78/69/00/372786900.db2.gz KCJPETDCDUWGAX-INIZCTEOSA-N 1 3 294.414 3.059 20 0 CGADHO CNCCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000435875662 372823171 /nfs/dbraw/zinc/82/31/71/372823171.db2.gz DVFIXQJZHPUQDD-UHFFFAOYSA-N 1 3 260.425 3.083 20 0 CGADHO CNCCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000435875662 372823177 /nfs/dbraw/zinc/82/31/77/372823177.db2.gz DVFIXQJZHPUQDD-UHFFFAOYSA-N 1 3 260.425 3.083 20 0 CGADHO CC[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000353542883 220149110 /nfs/dbraw/zinc/14/91/10/220149110.db2.gz WKSWUJNGNRCFGN-HYVNUMGLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCSc1ccccc1Cl ZINC000442777551 373078579 /nfs/dbraw/zinc/07/85/79/373078579.db2.gz DHRWKDOWRWGWOO-CHWSQXEVSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCSc1ccccc1Cl ZINC000442777551 373078582 /nfs/dbraw/zinc/07/85/82/373078582.db2.gz DHRWKDOWRWGWOO-CHWSQXEVSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCSc1ccccc1Cl ZINC000442777551 373078584 /nfs/dbraw/zinc/07/85/84/373078584.db2.gz DHRWKDOWRWGWOO-CHWSQXEVSA-N 1 3 298.883 3.491 20 0 CGADHO CC(C)Oc1ccccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000442920371 373128391 /nfs/dbraw/zinc/12/83/91/373128391.db2.gz KZPUJQAGDOHDND-OAHLLOKOSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296458371 373141284 /nfs/dbraw/zinc/14/12/84/373141284.db2.gz NCBAASGWWMRHKP-VIXSFIOASA-N 1 3 270.420 3.450 20 0 CGADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458371 373141297 /nfs/dbraw/zinc/14/12/97/373141297.db2.gz NCBAASGWWMRHKP-VIXSFIOASA-N 1 3 270.420 3.450 20 0 CGADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443055740 373145693 /nfs/dbraw/zinc/14/56/93/373145693.db2.gz BOIQFCHYQVRTGB-CABCVRRESA-N 1 3 299.418 3.463 20 0 CGADHO CCN(CC(O)C[N@H+](CC)[C@@H](C)C(C)C)[C@@H](C)C(C)C ZINC000447162462 373409003 /nfs/dbraw/zinc/40/90/03/373409003.db2.gz IVVZSFJYWQAGPD-HOTGVXAUSA-N 1 3 286.504 3.080 20 0 CGADHO CCN(CC(O)C[N@@H+](CC)[C@@H](C)C(C)C)[C@@H](C)C(C)C ZINC000447162462 373409013 /nfs/dbraw/zinc/40/90/13/373409013.db2.gz IVVZSFJYWQAGPD-HOTGVXAUSA-N 1 3 286.504 3.080 20 0 CGADHO CCc1ccc([C@H](C)NCC2(SC)CC[NH+](C)CC2)o1 ZINC000353626954 220202873 /nfs/dbraw/zinc/20/28/73/220202873.db2.gz VHKQOZHGWSHAIN-ZDUSSCGKSA-N 1 3 296.480 3.320 20 0 CGADHO CCC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000300408727 373627156 /nfs/dbraw/zinc/62/71/56/373627156.db2.gz LOWVIFOPGNAFSG-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)C(C)(C)c1ccccc1 ZINC000178411917 373774436 /nfs/dbraw/zinc/77/44/36/373774436.db2.gz UAKLFUABJHIVKM-INIZCTEOSA-N 1 3 274.452 3.428 20 0 CGADHO CCc1cc(N2CCC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301767212 373802405 /nfs/dbraw/zinc/80/24/05/373802405.db2.gz BSMXCPNRNJSLLT-OAHLLOKOSA-N 1 3 283.419 3.328 20 0 CGADHO C1=C(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCCC1 ZINC000450443695 374133951 /nfs/dbraw/zinc/13/39/51/374133951.db2.gz VSCKZCMENNLCJS-KRWDZBQOSA-N 1 3 262.441 3.295 20 0 CGADHO C1=C(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCCC1 ZINC000450443695 374133954 /nfs/dbraw/zinc/13/39/54/374133954.db2.gz VSCKZCMENNLCJS-KRWDZBQOSA-N 1 3 262.441 3.295 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C(C)(C)c1ccccc1 ZINC000181802840 374173523 /nfs/dbraw/zinc/17/35/23/374173523.db2.gz GHQREAQIQCDPKU-RDJZCZTQSA-N 1 3 274.452 3.427 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000312011980 374266185 /nfs/dbraw/zinc/26/61/85/374266185.db2.gz WRLJFUCSVXFQQD-CVEARBPZSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000183193255 374385023 /nfs/dbraw/zinc/38/50/23/374385023.db2.gz DRXFTILOEKGRHW-IIAWOOMASA-N 1 3 264.457 3.418 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)c1C ZINC000183740470 374449614 /nfs/dbraw/zinc/44/96/14/374449614.db2.gz MIJRRISFEGGZGI-JKSUJKDBSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090469046 541962328 /nfs/dbraw/zinc/96/23/28/541962328.db2.gz CBMGBOYZICMRIC-IAGOWNOFSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090469046 541962330 /nfs/dbraw/zinc/96/23/30/541962330.db2.gz CBMGBOYZICMRIC-IAGOWNOFSA-N 1 3 272.436 3.062 20 0 CGADHO CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185706253 374719113 /nfs/dbraw/zinc/71/91/13/374719113.db2.gz PREFDRQUSZLXGY-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc(C2CC2)c(C[NH2+]CCCN2CCCC2)c1 ZINC000094357609 541985619 /nfs/dbraw/zinc/98/56/19/541985619.db2.gz LXMGNNPFALBOQM-UHFFFAOYSA-N 1 3 258.409 3.140 20 0 CGADHO c1cc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)ccn1 ZINC000334561093 374859546 /nfs/dbraw/zinc/85/95/46/374859546.db2.gz FKJCXPYAEWRMSH-KRWDZBQOSA-N 1 3 285.435 3.363 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(CCCCCOc2ccccc2)C1 ZINC000187285684 374997490 /nfs/dbraw/zinc/99/74/90/374997490.db2.gz DXLHNGLEUJYAOS-KRWDZBQOSA-N 1 3 290.451 3.119 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000334881865 375043148 /nfs/dbraw/zinc/04/31/48/375043148.db2.gz ZCQYKUKYJNQBGR-ZFWWWQNUSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000334881865 375043153 /nfs/dbraw/zinc/04/31/53/375043153.db2.gz ZCQYKUKYJNQBGR-ZFWWWQNUSA-N 1 3 282.497 3.267 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335017829 375073749 /nfs/dbraw/zinc/07/37/49/375073749.db2.gz NWIVUSYSEPCUPV-NVXWUHKLSA-N 1 3 258.409 3.054 20 0 CGADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+]C3CCNCC3)C2)c1 ZINC000335021274 375075457 /nfs/dbraw/zinc/07/54/57/375075457.db2.gz GMNLHRWGNQZTHN-CZUORRHYSA-N 1 3 278.827 3.318 20 0 CGADHO c1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000335022770 375077263 /nfs/dbraw/zinc/07/72/63/375077263.db2.gz GJFKYUWNANIIGR-IEBWSBKVSA-N 1 3 294.398 3.032 20 0 CGADHO CCOc1c(Cl)cccc1CNCC1CC[NH+](C)CC1 ZINC000487281533 375217279 /nfs/dbraw/zinc/21/72/79/375217279.db2.gz TXAAOAPXSNZWSE-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO C[C@@H]1CC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335412723 375272434 /nfs/dbraw/zinc/27/24/34/375272434.db2.gz ADJKKPZNMVPFHW-CZUORRHYSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)OC1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000189527753 375403849 /nfs/dbraw/zinc/40/38/49/375403849.db2.gz ZASUZMHFFGYIEM-UHFFFAOYSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)OC1CC(NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000189527753 375403854 /nfs/dbraw/zinc/40/38/54/375403854.db2.gz ZASUZMHFFGYIEM-UHFFFAOYSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1ccc(C[N@H+]2CCCC23CCN(C)CC3)s1 ZINC000335791559 375433667 /nfs/dbraw/zinc/43/36/67/375433667.db2.gz GRWWXTMJNVUKJM-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)s1 ZINC000335791559 375433669 /nfs/dbraw/zinc/43/36/69/375433669.db2.gz GRWWXTMJNVUKJM-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO C1CC2(C1)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CCO2 ZINC000335900214 375525551 /nfs/dbraw/zinc/52/55/51/375525551.db2.gz JLOWZGHLGIJIRA-MRXNPFEDSA-N 1 3 292.467 3.085 20 0 CGADHO CCC[NH+]1CCC(NC[C@@H](C)c2nc(C)cs2)CC1 ZINC000120493980 542010624 /nfs/dbraw/zinc/01/06/24/542010624.db2.gz FIGFKSSUXOHRCU-GFCCVEGCSA-N 1 3 281.469 3.019 20 0 CGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000336658534 375896697 /nfs/dbraw/zinc/89/66/97/375896697.db2.gz IWRJWPJUOYERAL-DTWKUNHWSA-N 1 3 261.196 3.239 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261404 375964710 /nfs/dbraw/zinc/96/47/10/375964710.db2.gz GNPOMMUPXUUKAD-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261404 375964714 /nfs/dbraw/zinc/96/47/14/375964714.db2.gz GNPOMMUPXUUKAD-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1cccc2ccccc21 ZINC000536879586 376140977 /nfs/dbraw/zinc/14/09/77/376140977.db2.gz XGBSTUNFEDFERW-CRAIPNDOSA-N 1 3 298.430 3.148 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1cccc2ccccc21 ZINC000536879586 376140985 /nfs/dbraw/zinc/14/09/85/376140985.db2.gz XGBSTUNFEDFERW-CRAIPNDOSA-N 1 3 298.430 3.148 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646965 376188810 /nfs/dbraw/zinc/18/88/10/376188810.db2.gz DYLAHCJPSCYHKF-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000537646965 376188812 /nfs/dbraw/zinc/18/88/12/376188812.db2.gz DYLAHCJPSCYHKF-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO Cc1ccc(C)c(C[N@H+](C)CCCN2CCCC2)c1 ZINC000337221429 376147144 /nfs/dbraw/zinc/14/71/44/376147144.db2.gz DXSGXDDHSLMFFS-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO Cc1ccc(C)c(C[N@@H+](C)CCCN2CCCC2)c1 ZINC000337221429 376147152 /nfs/dbraw/zinc/14/71/52/376147152.db2.gz DXSGXDDHSLMFFS-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000221924395 376225634 /nfs/dbraw/zinc/22/56/34/376225634.db2.gz BSKUPISOMBKVSN-QGZVFWFLSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337990860 376250294 /nfs/dbraw/zinc/25/02/94/376250294.db2.gz FGNYQPLRIUCYJY-DJIMGWMZSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000226324640 376352057 /nfs/dbraw/zinc/35/20/57/376352057.db2.gz OPLMIYIEJRSMGU-NEPJUHHUSA-N 1 3 268.351 3.087 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326257 376352102 /nfs/dbraw/zinc/35/21/02/376352102.db2.gz RQPDGZXEVMJUKI-OLZOCXBDSA-N 1 3 266.816 3.462 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN(C)C(C)C)C12CCCC2 ZINC000224589634 376284135 /nfs/dbraw/zinc/28/41/35/376284135.db2.gz GBJUJFGQNBHVAN-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@H+](C)C(C)C)C12CCCC2 ZINC000224589634 376284143 /nfs/dbraw/zinc/28/41/43/376284143.db2.gz GBJUJFGQNBHVAN-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589634 376284148 /nfs/dbraw/zinc/28/41/48/376284148.db2.gz GBJUJFGQNBHVAN-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000226955741 376377000 /nfs/dbraw/zinc/37/70/00/376377000.db2.gz CJNQRTGGABRSLM-UONOGXRCSA-N 1 3 269.392 3.107 20 0 CGADHO CCC[C@@H](C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000540505254 376377218 /nfs/dbraw/zinc/37/72/18/376377218.db2.gz QIGQXXYUJZUTQX-OKZBNKHCSA-N 1 3 272.436 3.254 20 0 CGADHO CCC[C@@H](C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000540505254 376377225 /nfs/dbraw/zinc/37/72/25/376377225.db2.gz QIGQXXYUJZUTQX-OKZBNKHCSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000227329693 376389978 /nfs/dbraw/zinc/38/99/78/376389978.db2.gz HKLIUEUOABAHGT-HIFRSBDPSA-N 1 3 276.424 3.225 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000229574313 376465132 /nfs/dbraw/zinc/46/51/32/376465132.db2.gz OEAZFAKKNUNPBW-GDBMZVCRSA-N 1 3 278.415 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000541986400 376499584 /nfs/dbraw/zinc/49/95/84/376499584.db2.gz PBLOILRTKTZOSC-IAGOWNOFSA-N 1 3 286.463 3.065 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000541986400 376499588 /nfs/dbraw/zinc/49/95/88/376499588.db2.gz PBLOILRTKTZOSC-IAGOWNOFSA-N 1 3 286.463 3.065 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137995 376611799 /nfs/dbraw/zinc/61/17/99/376611799.db2.gz CSPKEYDLJYEUSF-XJKSGUPXSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000543137995 376611805 /nfs/dbraw/zinc/61/18/05/376611805.db2.gz CSPKEYDLJYEUSF-XJKSGUPXSA-N 1 3 296.405 3.169 20 0 CGADHO Cc1ccc(C)c(OCCCN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000234290234 376615582 /nfs/dbraw/zinc/61/55/82/376615582.db2.gz KKNFHZVORPFZOM-QGZVFWFLSA-N 1 3 290.451 3.146 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000339071124 376660371 /nfs/dbraw/zinc/66/03/71/376660371.db2.gz QRZDNOQANOXBHI-BPUTZDHNSA-N 1 3 276.424 3.126 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000339071124 376660381 /nfs/dbraw/zinc/66/03/81/376660381.db2.gz QRZDNOQANOXBHI-BPUTZDHNSA-N 1 3 276.424 3.126 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000236784004 376694497 /nfs/dbraw/zinc/69/44/97/376694497.db2.gz RLYYXBVLWVDFNF-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO Cc1ccccc1[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151880440 542104515 /nfs/dbraw/zinc/10/45/15/542104515.db2.gz QOJJFYGTCIFOIF-INIZCTEOSA-N 1 3 281.403 3.273 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435930 376814955 /nfs/dbraw/zinc/81/49/55/376814955.db2.gz QSTYGVKIHKERKG-DOTOQJQBSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435930 376814957 /nfs/dbraw/zinc/81/49/57/376814957.db2.gz QSTYGVKIHKERKG-DOTOQJQBSA-N 1 3 260.425 3.157 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000245433060 376815522 /nfs/dbraw/zinc/81/55/22/376815522.db2.gz BPGYMCLWCKIAMF-AEFFLSMTSA-N 1 3 274.452 3.281 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000245433060 376815530 /nfs/dbraw/zinc/81/55/30/376815530.db2.gz BPGYMCLWCKIAMF-AEFFLSMTSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)CCc2ccccc2)C1 ZINC000245433060 376815537 /nfs/dbraw/zinc/81/55/37/376815537.db2.gz BPGYMCLWCKIAMF-AEFFLSMTSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)CCc2ccccc2)C1 ZINC000245433060 376815543 /nfs/dbraw/zinc/81/55/43/376815543.db2.gz BPGYMCLWCKIAMF-AEFFLSMTSA-N 1 3 274.452 3.281 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000556864167 376891565 /nfs/dbraw/zinc/89/15/65/376891565.db2.gz BMPMXVDYPHREHD-DZVNLGKHSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000556864167 376891572 /nfs/dbraw/zinc/89/15/72/376891572.db2.gz BMPMXVDYPHREHD-DZVNLGKHSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000556864167 376891577 /nfs/dbraw/zinc/89/15/77/376891577.db2.gz BMPMXVDYPHREHD-DZVNLGKHSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084978 376922101 /nfs/dbraw/zinc/92/21/01/376922101.db2.gz UFYZOMZNLTWGPN-YQQAZPJKSA-N 1 3 264.457 3.370 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000557084978 376922106 /nfs/dbraw/zinc/92/21/06/376922106.db2.gz UFYZOMZNLTWGPN-YQQAZPJKSA-N 1 3 264.457 3.370 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000246555851 377051229 /nfs/dbraw/zinc/05/12/29/377051229.db2.gz WTSSXGUCNCBEAR-ARFHVFGLSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426637 377052192 /nfs/dbraw/zinc/05/21/92/377052192.db2.gz MBJZLMQNJMUCMG-WFASDCNBSA-N 1 3 282.378 3.228 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426637 377052198 /nfs/dbraw/zinc/05/21/98/377052198.db2.gz MBJZLMQNJMUCMG-WFASDCNBSA-N 1 3 282.378 3.228 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000340293380 376987280 /nfs/dbraw/zinc/98/72/80/376987280.db2.gz WTARXLWDBFXITI-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000340293380 376987288 /nfs/dbraw/zinc/98/72/88/376987288.db2.gz WTARXLWDBFXITI-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340293380 376987296 /nfs/dbraw/zinc/98/72/96/376987296.db2.gz WTARXLWDBFXITI-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340293380 376987299 /nfs/dbraw/zinc/98/72/99/376987299.db2.gz WTARXLWDBFXITI-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO C[C@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000558255475 376990411 /nfs/dbraw/zinc/99/04/11/376990411.db2.gz HEBQGBHCWXNVFF-TUUVXOQKSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000558255475 376990418 /nfs/dbraw/zinc/99/04/18/376990418.db2.gz HEBQGBHCWXNVFF-TUUVXOQKSA-N 1 3 294.389 3.283 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000559431816 377087153 /nfs/dbraw/zinc/08/71/53/377087153.db2.gz AGNABHSQZLCPTJ-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000559431816 377087160 /nfs/dbraw/zinc/08/71/60/377087160.db2.gz AGNABHSQZLCPTJ-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000340491759 377097638 /nfs/dbraw/zinc/09/76/38/377097638.db2.gz QBYVPLHDXZCOIY-BMGDILEWSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000340491759 377097651 /nfs/dbraw/zinc/09/76/51/377097651.db2.gz QBYVPLHDXZCOIY-BMGDILEWSA-N 1 3 294.483 3.044 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC(C(C)C)C(C)C)C1 ZINC000560260325 377135124 /nfs/dbraw/zinc/13/51/24/377135124.db2.gz RBHYBDPUQDTASJ-OAHLLOKOSA-N 1 3 254.462 3.188 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000560260325 377135133 /nfs/dbraw/zinc/13/51/33/377135133.db2.gz RBHYBDPUQDTASJ-OAHLLOKOSA-N 1 3 254.462 3.188 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000560402824 377145523 /nfs/dbraw/zinc/14/55/23/377145523.db2.gz FZZGPLCBRDXHBC-MRXNPFEDSA-N 1 3 290.426 3.489 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120754 377162407 /nfs/dbraw/zinc/16/24/07/377162407.db2.gz RDCSXWXZYVBURK-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120754 377162419 /nfs/dbraw/zinc/16/24/19/377162419.db2.gz RDCSXWXZYVBURK-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120754 377162426 /nfs/dbraw/zinc/16/24/26/377162426.db2.gz RDCSXWXZYVBURK-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554680 377171355 /nfs/dbraw/zinc/17/13/55/377171355.db2.gz HUEIMNBVAITKMW-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554680 377171359 /nfs/dbraw/zinc/17/13/59/377171359.db2.gz HUEIMNBVAITKMW-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000247181948 377172835 /nfs/dbraw/zinc/17/28/35/377172835.db2.gz ZEPDHZDRQMHRQR-HSMVNMDESA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000247181948 377172844 /nfs/dbraw/zinc/17/28/44/377172844.db2.gz ZEPDHZDRQMHRQR-HSMVNMDESA-N 1 3 278.827 3.400 20 0 CGADHO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000247222401 377179189 /nfs/dbraw/zinc/17/91/89/377179189.db2.gz XUDAELKEWDJOKT-YQQAZPJKSA-N 1 3 290.451 3.292 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000247415239 377202862 /nfs/dbraw/zinc/20/28/62/377202862.db2.gz ZVTDWFUGOIXPFA-HZPDHXFCSA-N 1 3 290.451 3.466 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424229 377461842 /nfs/dbraw/zinc/46/18/42/377461842.db2.gz LCFVMYVUIMGAQC-BQDHKBFISA-N 1 3 280.362 3.070 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424229 377461847 /nfs/dbraw/zinc/46/18/47/377461847.db2.gz LCFVMYVUIMGAQC-BQDHKBFISA-N 1 3 280.362 3.070 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)[C@@H]1c1ccccc1 ZINC000563425357 377464167 /nfs/dbraw/zinc/46/41/67/377464167.db2.gz OOWYCKLNWVMNAG-NCOADZHNSA-N 1 3 272.436 3.286 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000093210126 249036780 /nfs/dbraw/zinc/03/67/80/249036780.db2.gz CNEOCOJWHVMMIL-DDTOSNHZSA-N 1 3 252.789 3.261 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2ccsc2Cl)C1 ZINC000312750713 249082847 /nfs/dbraw/zinc/08/28/47/249082847.db2.gz VXVSIFXOMGSUBY-KOLCDFICSA-N 1 3 258.818 3.009 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000515073289 249200386 /nfs/dbraw/zinc/20/03/86/249200386.db2.gz GZNUQNIJWPIWAM-HNNXBMFYSA-N 1 3 283.419 3.240 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC2CCCC2)C1 ZINC000516685568 249241347 /nfs/dbraw/zinc/24/13/47/249241347.db2.gz ANBVNOQKIWPTLR-GOEBONIOSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)ccc1Cl ZINC000516193930 249228522 /nfs/dbraw/zinc/22/85/22/249228522.db2.gz SYFSSCXZBOUGBC-ZIAGYGMSSA-N 1 3 266.816 3.050 20 0 CGADHO Cc1cc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000516193930 249228524 /nfs/dbraw/zinc/22/85/24/249228524.db2.gz SYFSSCXZBOUGBC-ZIAGYGMSSA-N 1 3 266.816 3.050 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000251585630 377588725 /nfs/dbraw/zinc/58/87/25/377588725.db2.gz BEBGFTUHKCLJNX-APWZRJJASA-N 1 3 286.463 3.398 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000252709936 377654178 /nfs/dbraw/zinc/65/41/78/377654178.db2.gz FFUNKEJNXNFPHH-NVXWUHKLSA-N 1 3 260.425 3.042 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000252709936 377654185 /nfs/dbraw/zinc/65/41/85/377654185.db2.gz FFUNKEJNXNFPHH-NVXWUHKLSA-N 1 3 260.425 3.042 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000252784866 377663996 /nfs/dbraw/zinc/66/39/96/377663996.db2.gz OUDNZHOUANWPKO-ZNMIVQPWSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)Oc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252874071 377667072 /nfs/dbraw/zinc/66/70/72/377667072.db2.gz VBXSSWSUWOEOPH-RYQLBKOJSA-N 1 3 288.435 3.033 20 0 CGADHO Cc1ncncc1[C@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000574822563 377714725 /nfs/dbraw/zinc/71/47/25/377714725.db2.gz KTLCNBQRGIXOOO-GJZGRUSLSA-N 1 3 290.455 3.090 20 0 CGADHO Cc1ncncc1[C@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000574822563 377714728 /nfs/dbraw/zinc/71/47/28/377714728.db2.gz KTLCNBQRGIXOOO-GJZGRUSLSA-N 1 3 290.455 3.090 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000259182297 377804262 /nfs/dbraw/zinc/80/42/62/377804262.db2.gz WFABGVKTMKFCPL-ZIAGYGMSSA-N 1 3 260.406 3.261 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H]1CCCNC1 ZINC000261570898 377817775 /nfs/dbraw/zinc/81/77/75/377817775.db2.gz PSRCWPGJXGSCDW-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H]1CCCNC1 ZINC000261570898 377817785 /nfs/dbraw/zinc/81/77/85/377817785.db2.gz PSRCWPGJXGSCDW-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](c1ccccc1)N(CC)C[C@H]1CCC[NH2+]C1 ZINC000261570898 377817790 /nfs/dbraw/zinc/81/77/90/377817790.db2.gz PSRCWPGJXGSCDW-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(OCC)c(F)c2)CC1 ZINC000261646265 377831865 /nfs/dbraw/zinc/83/18/65/377831865.db2.gz ARPCRKHOVNLJTM-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO C[C@]1(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]C1 ZINC000262023670 377880356 /nfs/dbraw/zinc/88/03/56/377880356.db2.gz NJGVWADLOIIOQP-RDGPPVDQSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C2 ZINC000262044261 377881429 /nfs/dbraw/zinc/88/14/29/377881429.db2.gz CDOHSDGRQSNNTN-MTQWCTHYSA-N 1 3 298.474 3.444 20 0 CGADHO CCCN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000262089191 377887198 /nfs/dbraw/zinc/88/71/98/377887198.db2.gz UPIPHJOTHQTQDF-ROUUACIJSA-N 1 3 272.436 3.386 20 0 CGADHO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000261809330 377856981 /nfs/dbraw/zinc/85/69/81/377856981.db2.gz HNYHTZUTHUPBEH-LZLYRXPVSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000261809330 377856984 /nfs/dbraw/zinc/85/69/84/377856984.db2.gz HNYHTZUTHUPBEH-LZLYRXPVSA-N 1 3 272.436 3.172 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262517806 377900328 /nfs/dbraw/zinc/90/03/28/377900328.db2.gz NRBKKLUSZXRXHJ-LESCRADOSA-N 1 3 296.414 3.018 20 0 CGADHO CC(C)C[C@H](NCc1ccc(C[NH3+])cc1)c1ccccn1 ZINC000578627958 378085711 /nfs/dbraw/zinc/08/57/11/378085711.db2.gz SYZNEBDNPCKGSJ-SFHVURJKSA-N 1 3 283.419 3.417 20 0 CGADHO C[C@H]([NH3+])c1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC000578986229 378119133 /nfs/dbraw/zinc/11/91/33/378119133.db2.gz PZTCUHTXRLJALU-ZDUSSCGKSA-N 1 3 297.402 3.020 20 0 CGADHO C[C@H]([NH2+]CCCCCOC1CCCCC1)[C@@H]1CCCNC1 ZINC000579825070 378199131 /nfs/dbraw/zinc/19/91/31/378199131.db2.gz HGPVXTMUFZEXSP-DLBZAZTESA-N 1 3 296.499 3.484 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000580015711 378217148 /nfs/dbraw/zinc/21/71/48/378217148.db2.gz XSQYBFXEVPSOTE-JQHSSLGASA-N 1 3 276.468 3.397 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000580015711 378217152 /nfs/dbraw/zinc/21/71/52/378217152.db2.gz XSQYBFXEVPSOTE-JQHSSLGASA-N 1 3 276.468 3.397 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000345372559 378269926 /nfs/dbraw/zinc/26/99/26/378269926.db2.gz QCAYCLNMKUNRMZ-AWEZNQCLSA-N 1 3 266.404 3.249 20 0 CGADHO CC(C)[N@H+](C)CCCNC[C@H](C)c1ccc(F)cc1 ZINC000345372559 378269934 /nfs/dbraw/zinc/26/99/34/378269934.db2.gz QCAYCLNMKUNRMZ-AWEZNQCLSA-N 1 3 266.404 3.249 20 0 CGADHO CC(C)[N@@H+](C)CCCNC[C@H](C)c1ccc(F)cc1 ZINC000345372559 378269941 /nfs/dbraw/zinc/26/99/41/378269941.db2.gz QCAYCLNMKUNRMZ-AWEZNQCLSA-N 1 3 266.404 3.249 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054704 378281589 /nfs/dbraw/zinc/28/15/89/378281589.db2.gz AJTPTKGAUBKLOO-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054704 378281593 /nfs/dbraw/zinc/28/15/93/378281593.db2.gz AJTPTKGAUBKLOO-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054704 378281595 /nfs/dbraw/zinc/28/15/95/378281595.db2.gz AJTPTKGAUBKLOO-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054704 378281598 /nfs/dbraw/zinc/28/15/98/378281598.db2.gz AJTPTKGAUBKLOO-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO CCc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000580199196 378231427 /nfs/dbraw/zinc/23/14/27/378231427.db2.gz CVBVECIILRBCPD-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO CCc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000580199196 378231435 /nfs/dbraw/zinc/23/14/35/378231435.db2.gz CVBVECIILRBCPD-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO CCNCCC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000582235525 378296520 /nfs/dbraw/zinc/29/65/20/378296520.db2.gz WUWMBXPGPUJKEA-HIFPTAJRSA-N 1 3 280.378 3.333 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181768 378474686 /nfs/dbraw/zinc/47/46/86/378474686.db2.gz HXWJPZBGFYRCAR-PBHICJAKSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181768 378474689 /nfs/dbraw/zinc/47/46/89/378474689.db2.gz HXWJPZBGFYRCAR-PBHICJAKSA-N 1 3 285.435 3.330 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]CC2=CCN(C)CC2)C2CC2)c1 ZINC000271910503 378513694 /nfs/dbraw/zinc/51/36/94/378513694.db2.gz XXRJEVZUULAIKM-LJQANCHMSA-N 1 3 284.447 3.168 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000272093536 378562130 /nfs/dbraw/zinc/56/21/30/378562130.db2.gz OQMVWCBVFDSZOJ-GJZGRUSLSA-N 1 3 278.415 3.251 20 0 CGADHO CC1(C)C[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000346571259 378628276 /nfs/dbraw/zinc/62/82/76/378628276.db2.gz XIFYWDJWKBBDGG-HNNXBMFYSA-N 1 3 250.430 3.172 20 0 CGADHO CC1(C)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000346571259 378628280 /nfs/dbraw/zinc/62/82/80/378628280.db2.gz XIFYWDJWKBBDGG-HNNXBMFYSA-N 1 3 250.430 3.172 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346818982 378692995 /nfs/dbraw/zinc/69/29/95/378692995.db2.gz DJXNLVXQZAVARV-JGGQBBKZSA-N 1 3 284.403 3.164 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000638454124 378808361 /nfs/dbraw/zinc/80/83/61/378808361.db2.gz KFDJPNRUDBNBPX-CZUORRHYSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000638454124 378808369 /nfs/dbraw/zinc/80/83/69/378808369.db2.gz KFDJPNRUDBNBPX-CZUORRHYSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]([NH3+])C1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000347051871 218105268 /nfs/dbraw/zinc/10/52/68/218105268.db2.gz RQGHNGLIZQIENW-QAVQXKDTSA-N 1 3 280.362 3.037 20 0 CGADHO CCCN(Cc1ccc(F)c(C)c1)C1CC[NH2+]CC1 ZINC000347066282 218111772 /nfs/dbraw/zinc/11/17/72/218111772.db2.gz LQWBGOMWTLMQDC-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO CCC[N@H+](Cc1ccc(F)c(C)c1)C1CCNCC1 ZINC000347066282 218111773 /nfs/dbraw/zinc/11/17/73/218111773.db2.gz LQWBGOMWTLMQDC-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO CCC[N@@H+](Cc1ccc(F)c(C)c1)C1CCNCC1 ZINC000347066282 218111776 /nfs/dbraw/zinc/11/17/76/218111776.db2.gz LQWBGOMWTLMQDC-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO C[C@H](C[NH2+]C[C@@H](C)Cc1ccccc1)CN1CCCC1 ZINC000347320937 218190932 /nfs/dbraw/zinc/19/09/32/218190932.db2.gz JOQRUJKVWNJLHV-DLBZAZTESA-N 1 3 274.452 3.187 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCCc2cccc(F)c2)CC1 ZINC000277331860 379134202 /nfs/dbraw/zinc/13/42/02/379134202.db2.gz VQKIHTBQKOXZJU-KRWDZBQOSA-N 1 3 278.415 3.174 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCc2cccc(F)c2)CC1 ZINC000277331860 379134205 /nfs/dbraw/zinc/13/42/05/379134205.db2.gz VQKIHTBQKOXZJU-KRWDZBQOSA-N 1 3 278.415 3.174 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCc2cccc(F)c2)CC1 ZINC000277331860 379134208 /nfs/dbraw/zinc/13/42/08/379134208.db2.gz VQKIHTBQKOXZJU-KRWDZBQOSA-N 1 3 278.415 3.174 20 0 CGADHO CC[N@H+](CCCNCCC[C@H]1CCO1)C1CCCCC1 ZINC000639292054 379241828 /nfs/dbraw/zinc/24/18/28/379241828.db2.gz ZPVQRHVWNZLIOS-KRWDZBQOSA-N 1 3 282.472 3.190 20 0 CGADHO CC[N@@H+](CCCNCCC[C@H]1CCO1)C1CCCCC1 ZINC000639292054 379241838 /nfs/dbraw/zinc/24/18/38/379241838.db2.gz ZPVQRHVWNZLIOS-KRWDZBQOSA-N 1 3 282.472 3.190 20 0 CGADHO CC[N@H+](CCCNCCC[C@@H]1CCO1)C1CCCCC1 ZINC000639292055 379242072 /nfs/dbraw/zinc/24/20/72/379242072.db2.gz ZPVQRHVWNZLIOS-QGZVFWFLSA-N 1 3 282.472 3.190 20 0 CGADHO CC[N@@H+](CCCNCCC[C@@H]1CCO1)C1CCCCC1 ZINC000639292055 379242084 /nfs/dbraw/zinc/24/20/84/379242084.db2.gz ZPVQRHVWNZLIOS-QGZVFWFLSA-N 1 3 282.472 3.190 20 0 CGADHO CC(C)O[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373520506 379292316 /nfs/dbraw/zinc/29/23/16/379292316.db2.gz INOSLDFFEZYSFZ-GQGLESIBSA-N 1 3 294.483 3.185 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2ncccc2c1 ZINC000349404677 379265911 /nfs/dbraw/zinc/26/59/11/379265911.db2.gz GKSIOMSQOLVWDN-UHFFFAOYSA-N 1 3 285.435 3.399 20 0 CGADHO CCC1(N(C)C)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000639379041 379336879 /nfs/dbraw/zinc/33/68/79/379336879.db2.gz LRIZXCIJOOZXDO-HNNXBMFYSA-N 1 3 250.430 3.149 20 0 CGADHO CCC1([NH+](C)C)CCN(C[C@H]2CC=CCC2)CC1 ZINC000639379041 379336890 /nfs/dbraw/zinc/33/68/90/379336890.db2.gz LRIZXCIJOOZXDO-HNNXBMFYSA-N 1 3 250.430 3.149 20 0 CGADHO CCc1ncc(CN2CCC(C[NH+](CC)CC)CC2)s1 ZINC000350183926 379528462 /nfs/dbraw/zinc/52/84/62/379528462.db2.gz KSDZICZNUUKKPQ-UHFFFAOYSA-N 1 3 295.496 3.259 20 0 CGADHO Cc1ccc(F)c(CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755818 379569114 /nfs/dbraw/zinc/56/91/14/379569114.db2.gz NVQNHCZGJAUEFH-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO C[C@@H](c1nc2ccccc2o1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758900 379571965 /nfs/dbraw/zinc/57/19/65/379571965.db2.gz ZCLVCGGKTVOULW-AWEZNQCLSA-N 1 3 299.418 3.307 20 0 CGADHO C[C@H](c1ccccc1F)N1CCC(C[NH+](C)C)CC1 ZINC000350947378 379618673 /nfs/dbraw/zinc/61/86/73/379618673.db2.gz FSDWVPAUQWQNFF-CYBMUJFWSA-N 1 3 264.388 3.160 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000377009956 379625724 /nfs/dbraw/zinc/62/57/24/379625724.db2.gz ODGAQDIOOQWSIF-DOTOQJQBSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000377009956 379625728 /nfs/dbraw/zinc/62/57/28/379625728.db2.gz ODGAQDIOOQWSIF-DOTOQJQBSA-N 1 3 296.499 3.434 20 0 CGADHO C[N@H+](Cc1ccsc1)C1CCN(c2ccncc2)CC1 ZINC000377689902 379723032 /nfs/dbraw/zinc/72/30/32/379723032.db2.gz FNIGOLBXGHZJOJ-UHFFFAOYSA-N 1 3 287.432 3.244 20 0 CGADHO C[N@@H+](Cc1ccsc1)C1CCN(c2ccncc2)CC1 ZINC000377689902 379723043 /nfs/dbraw/zinc/72/30/43/379723043.db2.gz FNIGOLBXGHZJOJ-UHFFFAOYSA-N 1 3 287.432 3.244 20 0 CGADHO Fc1ccc(/C=C\CNC2CC[NH+](C3CC3)CC2)cc1F ZINC000352250980 379758914 /nfs/dbraw/zinc/75/89/14/379758914.db2.gz NKQYVTURDGORPE-UPHRSURJSA-N 1 3 292.373 3.194 20 0 CGADHO COc1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000352539984 379848818 /nfs/dbraw/zinc/84/88/18/379848818.db2.gz FXQHBFIQBRUYLT-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO COc1ccc(C[N@H+](CCCN)CC2CCCC2)cc1 ZINC000352539984 379848829 /nfs/dbraw/zinc/84/88/29/379848829.db2.gz FXQHBFIQBRUYLT-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO COc1ccc(C[N@@H+](CCCN)CC2CCCC2)cc1 ZINC000352539984 379848835 /nfs/dbraw/zinc/84/88/35/379848835.db2.gz FXQHBFIQBRUYLT-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO CC(C)(C)OC1CC(NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000352791040 379962320 /nfs/dbraw/zinc/96/23/20/379962320.db2.gz XJDWLLBGSVJNGQ-UHFFFAOYSA-N 1 3 282.472 3.185 20 0 CGADHO CSc1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000641774258 380091340 /nfs/dbraw/zinc/09/13/40/380091340.db2.gz LVXJALVVSLJWGH-UHFFFAOYSA-N 1 3 294.464 3.213 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643031674 380205051 /nfs/dbraw/zinc/20/50/51/380205051.db2.gz VBPWSYQHDZRFQL-HOCLYGCPSA-N 1 3 281.403 3.040 20 0 CGADHO CSC1(CN[C@H](C)c2ccccc2F)CC[NH+](C)CC1 ZINC000353186474 380157514 /nfs/dbraw/zinc/15/75/14/380157514.db2.gz KJFWAAYFNSZWEA-CYBMUJFWSA-N 1 3 296.455 3.304 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000643522235 380337281 /nfs/dbraw/zinc/33/72/81/380337281.db2.gz KIGAWJHRFIRCAO-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643512406 380334269 /nfs/dbraw/zinc/33/42/69/380334269.db2.gz USZUOJQXSMEZCW-KSZLIROESA-N 1 3 272.436 3.041 20 0 CGADHO COc1ccccc1C(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000643457446 380310179 /nfs/dbraw/zinc/31/01/79/380310179.db2.gz CKMLJJQGAWKWML-HOCLYGCPSA-N 1 3 290.451 3.080 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000643463542 380311915 /nfs/dbraw/zinc/31/19/15/380311915.db2.gz COCIJQYOSKADAA-WBVHZDCISA-N 1 3 274.452 3.461 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(-c2ccccc2)cc1 ZINC000643467712 380315388 /nfs/dbraw/zinc/31/53/88/380315388.db2.gz WZRBGULHFKXRFI-MOPGFXCFSA-N 1 3 280.415 3.366 20 0 CGADHO Cc1ccccc1CC(C)(C)NC[C@H]([NH3+])CC(C)C ZINC000414704825 380382118 /nfs/dbraw/zinc/38/21/18/380382118.db2.gz JTSXCNSTBIHQDF-MRXNPFEDSA-N 1 3 262.441 3.279 20 0 CGADHO CC[N@H+](CC1CCCCCC1)[C@H]1CCCNCC1 ZINC000414713124 380385149 /nfs/dbraw/zinc/38/51/49/380385149.db2.gz KBVDXLYODUUEOK-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO CC[N@@H+](CC1CCCCCC1)[C@H]1CCCNCC1 ZINC000414713124 380385155 /nfs/dbraw/zinc/38/51/55/380385155.db2.gz KBVDXLYODUUEOK-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643522360 380339674 /nfs/dbraw/zinc/33/96/74/380339674.db2.gz LZMJYUWNEVNIHQ-WBVHZDCISA-N 1 3 272.436 3.413 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000643524191 380340853 /nfs/dbraw/zinc/34/08/53/380340853.db2.gz UTMUZBOEMXFNLK-ZMLRMANQSA-N 1 3 270.779 3.400 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000643527558 380342143 /nfs/dbraw/zinc/34/21/43/380342143.db2.gz OLTKSDBMHNANHR-ZLKJLUDKSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc2ccccc2o1 ZINC000643534434 380349493 /nfs/dbraw/zinc/34/94/93/380349493.db2.gz VEFLAYSRVUSDAH-MLGOLLRUSA-N 1 3 270.376 3.226 20 0 CGADHO CC(C)CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536124 380352078 /nfs/dbraw/zinc/35/20/78/380352078.db2.gz RGFTYRHWVRBNIH-JKSUJKDBSA-N 1 3 276.424 3.489 20 0 CGADHO CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1F ZINC000643535710 380352351 /nfs/dbraw/zinc/35/23/51/380352351.db2.gz OXWJYUDCQBDLID-CABCVRRESA-N 1 3 262.372 3.009 20 0 CGADHO CNC[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414664330 380359056 /nfs/dbraw/zinc/35/90/56/380359056.db2.gz CDYISNJMAIAQMQ-JQHSSLGASA-N 1 3 272.436 3.038 20 0 CGADHO CNC[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414664330 380359060 /nfs/dbraw/zinc/35/90/60/380359060.db2.gz CDYISNJMAIAQMQ-JQHSSLGASA-N 1 3 272.436 3.038 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000643546612 380359834 /nfs/dbraw/zinc/35/98/34/380359834.db2.gz RPDDMXCFVSMGOI-ZBFHGGJFSA-N 1 3 258.409 3.320 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546924 380361524 /nfs/dbraw/zinc/36/15/24/380361524.db2.gz WVDPZOVHIWUAND-UNEWFSDZSA-N 1 3 270.420 3.184 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546924 380361530 /nfs/dbraw/zinc/36/15/30/380361530.db2.gz WVDPZOVHIWUAND-UNEWFSDZSA-N 1 3 270.420 3.184 20 0 CGADHO Cc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000414814964 380426692 /nfs/dbraw/zinc/42/66/92/380426692.db2.gz WKJQKRJDGBNEJS-GFCCVEGCSA-N 1 3 260.406 3.366 20 0 CGADHO c1ccc(C[C@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000414829099 380437954 /nfs/dbraw/zinc/43/79/54/380437954.db2.gz NBVIFPSOIYNNAQ-ZWRCUJBNSA-N 1 3 284.447 3.270 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414831041 380439929 /nfs/dbraw/zinc/43/99/29/380439929.db2.gz BTJUESHODZUPJF-VIFPVBQESA-N 1 3 280.359 3.230 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000414855314 380457823 /nfs/dbraw/zinc/45/78/23/380457823.db2.gz MSXFBPJMSQKTBB-OWCLPIDISA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](NCc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414852639 380453466 /nfs/dbraw/zinc/45/34/66/380453466.db2.gz KEUNHPRPDOVWGF-MAUKXSAKSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H](NCc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414852636 380454376 /nfs/dbraw/zinc/45/43/76/380454376.db2.gz KEUNHPRPDOVWGF-CRAIPNDOSA-N 1 3 295.430 3.226 20 0 CGADHO Fc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786834 380404894 /nfs/dbraw/zinc/40/48/94/380404894.db2.gz UZBQISAJHLZWRH-KBPBESRZSA-N 1 3 296.817 3.301 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000414800114 380412842 /nfs/dbraw/zinc/41/28/42/380412842.db2.gz KSNMPXHNPKQQEN-MJGOQNOKSA-N 1 3 295.430 3.356 20 0 CGADHO CC(C)(N)C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414801487 380414419 /nfs/dbraw/zinc/41/44/19/380414419.db2.gz JHSKZCAWJCTBQE-UHFFFAOYSA-N 1 3 278.396 3.381 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414803772 380415790 /nfs/dbraw/zinc/41/57/90/380415790.db2.gz WUJRHMBQBJMVRS-BXUZGUMPSA-N 1 3 288.357 3.209 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccccc1SC ZINC000414804496 380416409 /nfs/dbraw/zinc/41/64/09/380416409.db2.gz FJHSNQCRQQNLQT-ZDUSSCGKSA-N 1 3 280.481 3.447 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccccc1F ZINC000414803040 380416581 /nfs/dbraw/zinc/41/65/81/380416581.db2.gz CLBLYSJGNKGZPI-CYBMUJFWSA-N 1 3 266.404 3.254 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414805267 380417570 /nfs/dbraw/zinc/41/75/70/380417570.db2.gz PMJOTNPROJQRHM-AEFFLSMTSA-N 1 3 290.451 3.343 20 0 CGADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1SC ZINC000414811069 380422097 /nfs/dbraw/zinc/42/20/97/380422097.db2.gz WARNROIMSKFFQJ-KGLIPLIRSA-N 1 3 294.464 3.024 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(-c3ccccn3)c2)C1 ZINC000414927265 380492417 /nfs/dbraw/zinc/49/24/17/380492417.db2.gz ONUOILBDJNNKTP-DLBZAZTESA-N 1 3 281.403 3.108 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000414931114 380493309 /nfs/dbraw/zinc/49/33/09/380493309.db2.gz UCDXQHRXPRYNTN-IKGGRYGDSA-N 1 3 260.425 3.286 20 0 CGADHO CCSc1cccc(C[NH2+]C2(C)CCNCC2)c1 ZINC000414935930 380496377 /nfs/dbraw/zinc/49/63/77/380496377.db2.gz GIBGQGOPJIUIKK-UHFFFAOYSA-N 1 3 264.438 3.030 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNC[C@H]1C)c1ccccc1 ZINC000414940891 380497812 /nfs/dbraw/zinc/49/78/12/380497812.db2.gz KWSGMWDDTFZKSA-PVAVHDDUSA-N 1 3 260.425 3.014 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000414977801 380504052 /nfs/dbraw/zinc/50/40/52/380504052.db2.gz RWZLJKDHPYVPRL-ILXRZTDVSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCNC1 ZINC000414858609 380459346 /nfs/dbraw/zinc/45/93/46/380459346.db2.gz SDMWIQFPUGVSKJ-NWDGAFQWSA-N 1 3 286.872 3.312 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NC[C@@H]1CCC[NH2+]C1 ZINC000414858609 380459358 /nfs/dbraw/zinc/45/93/58/380459358.db2.gz SDMWIQFPUGVSKJ-NWDGAFQWSA-N 1 3 286.872 3.312 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414857602 380460028 /nfs/dbraw/zinc/46/00/28/380460028.db2.gz PSILTNXHDOIJAP-IJEWVQPXSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]CC1(N)CCCCCC1 ZINC000414858069 380460706 /nfs/dbraw/zinc/46/07/06/380460706.db2.gz HRJHXUOKKSKLFL-CQSZACIVSA-N 1 3 278.415 3.398 20 0 CGADHO C[C@H](Cc1ccccc1F)NCC1([NH3+])CCCCCC1 ZINC000414858069 380460708 /nfs/dbraw/zinc/46/07/08/380460708.db2.gz HRJHXUOKKSKLFL-CQSZACIVSA-N 1 3 278.415 3.398 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414877331 380472205 /nfs/dbraw/zinc/47/22/05/380472205.db2.gz MKUSCMTYWJQMTP-UWVGGRQHSA-N 1 3 275.223 3.109 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414877331 380472208 /nfs/dbraw/zinc/47/22/08/380472208.db2.gz MKUSCMTYWJQMTP-UWVGGRQHSA-N 1 3 275.223 3.109 20 0 CGADHO CCCCCOc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000414888420 380475620 /nfs/dbraw/zinc/47/56/20/380475620.db2.gz RKAOESJRZJSAMH-CQSZACIVSA-N 1 3 264.413 3.083 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414891486 380476588 /nfs/dbraw/zinc/47/65/88/380476588.db2.gz ODFIKSHSKVHCKZ-KSZLIROESA-N 1 3 272.436 3.445 20 0 CGADHO [NH3+][C@H](CN[C@H]1CCC[C@@H]1c1ccccc1Cl)C1CC1 ZINC000414895266 380477635 /nfs/dbraw/zinc/47/76/35/380477635.db2.gz WOMDSBBHTRXJIL-BMFZPTHFSA-N 1 3 278.827 3.303 20 0 CGADHO CC(C)C[C@@H](CNC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000414894669 380478622 /nfs/dbraw/zinc/47/86/22/380478622.db2.gz UHSQMLRACKWNDS-IRXDYDNUSA-N 1 3 260.425 3.143 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H](N)C2CC2)ccc1Oc1cccnc1 ZINC000414900967 380481466 /nfs/dbraw/zinc/48/14/66/380481466.db2.gz WQHCGLRZVMUECN-QGZVFWFLSA-N 1 3 297.402 3.009 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414900964 380482362 /nfs/dbraw/zinc/48/23/62/380482362.db2.gz FIXXNNLWFIMAFE-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000355044902 380569839 /nfs/dbraw/zinc/56/98/39/380569839.db2.gz VCYZFVRNFPFZIY-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000355044902 380569845 /nfs/dbraw/zinc/56/98/45/380569845.db2.gz VCYZFVRNFPFZIY-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CC(C)(C)OC1(C)C)C(C)C ZINC000355720045 380758758 /nfs/dbraw/zinc/75/87/58/380758758.db2.gz HZAUBDXSZJJRIU-OAHLLOKOSA-N 1 3 284.488 3.431 20 0 CGADHO CCCC[N@H+](C)CC1CCN(CCOCC2CCC2)CC1 ZINC000419199138 380778000 /nfs/dbraw/zinc/77/80/00/380778000.db2.gz CZZZZPYPCQGNPA-UHFFFAOYSA-N 1 3 296.499 3.247 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(CCOCC2CCC2)CC1 ZINC000419199138 380778005 /nfs/dbraw/zinc/77/80/05/380778005.db2.gz CZZZZPYPCQGNPA-UHFFFAOYSA-N 1 3 296.499 3.247 20 0 CGADHO CC1=C[C@H](C)C[C@@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000356096720 380790798 /nfs/dbraw/zinc/79/07/98/380790798.db2.gz LZTPRKZNAZDFST-DZGCQCFKSA-N 1 3 250.430 3.005 20 0 CGADHO Cc1ccc(CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405054 380852943 /nfs/dbraw/zinc/85/29/43/380852943.db2.gz SOKRFWOBCPXKIB-ROUUACIJSA-N 1 3 272.436 3.002 20 0 CGADHO CC[N@H+](CC[C@H]1CCCCN1C)Cc1cccs1 ZINC000356831456 380889431 /nfs/dbraw/zinc/88/94/31/380889431.db2.gz ALDCCBWQGSNXTL-CQSZACIVSA-N 1 3 266.454 3.444 20 0 CGADHO CC[N@@H+](CC[C@H]1CCCCN1C)Cc1cccs1 ZINC000356831456 380889434 /nfs/dbraw/zinc/88/94/34/380889434.db2.gz ALDCCBWQGSNXTL-CQSZACIVSA-N 1 3 266.454 3.444 20 0 CGADHO Fc1ccc2c(c1)[C@H](N1CCC([C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000357089525 381024484 /nfs/dbraw/zinc/02/44/84/381024484.db2.gz QCYIXISCSBNCIP-CRAIPNDOSA-N 1 3 288.410 3.135 20 0 CGADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296190 381301922 /nfs/dbraw/zinc/30/19/22/381301922.db2.gz FGGTVHZMAVJIMX-MSOLQXFVSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296190 381301926 /nfs/dbraw/zinc/30/19/26/381301926.db2.gz FGGTVHZMAVJIMX-MSOLQXFVSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296190 381301929 /nfs/dbraw/zinc/30/19/29/381301929.db2.gz FGGTVHZMAVJIMX-MSOLQXFVSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360029378 381418256 /nfs/dbraw/zinc/41/82/56/381418256.db2.gz MRRSMNWOHVTOGO-SNUQEOBHSA-N 1 3 288.410 3.133 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000360029378 381418261 /nfs/dbraw/zinc/41/82/61/381418261.db2.gz MRRSMNWOHVTOGO-SNUQEOBHSA-N 1 3 288.410 3.133 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235098 381493160 /nfs/dbraw/zinc/49/31/60/381493160.db2.gz RQTCDFRJZKNGGU-CABCVRRESA-N 1 3 288.435 3.099 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981345 381642282 /nfs/dbraw/zinc/64/22/82/381642282.db2.gz KCLRYCUCXAOTAJ-SZMVWBNQSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981345 381642289 /nfs/dbraw/zinc/64/22/89/381642289.db2.gz KCLRYCUCXAOTAJ-SZMVWBNQSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981345 381642294 /nfs/dbraw/zinc/64/22/94/381642294.db2.gz KCLRYCUCXAOTAJ-SZMVWBNQSA-N 1 3 272.436 3.082 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1C ZINC000334884637 207241151 /nfs/dbraw/zinc/24/11/51/207241151.db2.gz KUEHHOPQECMZQN-LRDDRELGSA-N 1 3 285.435 3.357 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1C ZINC000334884637 207241154 /nfs/dbraw/zinc/24/11/54/207241154.db2.gz KUEHHOPQECMZQN-LRDDRELGSA-N 1 3 285.435 3.357 20 0 CGADHO CN1CCCC12CC[NH+](C[C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000361349162 381712050 /nfs/dbraw/zinc/71/20/50/381712050.db2.gz RYXBUDVKWIRZCV-ZWKOTPCHSA-N 1 3 284.447 3.350 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712905 382104237 /nfs/dbraw/zinc/10/42/37/382104237.db2.gz BYEWHQIEFYTAFR-DYEKYZERSA-N 1 3 289.448 3.430 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712905 382104242 /nfs/dbraw/zinc/10/42/42/382104242.db2.gz BYEWHQIEFYTAFR-DYEKYZERSA-N 1 3 289.448 3.430 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC000228535351 542298420 /nfs/dbraw/zinc/29/84/20/542298420.db2.gz AKRZLXYDSFENEK-RBSFLKMASA-N 1 3 280.362 3.183 20 0 CGADHO CC(C)(C)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247042976 542329556 /nfs/dbraw/zinc/32/95/56/542329556.db2.gz YYIJCZWGMKHSLZ-HOCLYGCPSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)(C)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247042976 542329560 /nfs/dbraw/zinc/32/95/60/542329560.db2.gz YYIJCZWGMKHSLZ-HOCLYGCPSA-N 1 3 264.457 3.371 20 0 CGADHO CC[C@H]1CN(Cc2c(C)cc(C)cc2C)CC[C@H]1[NH3+] ZINC000251900498 542348878 /nfs/dbraw/zinc/34/88/78/542348878.db2.gz WUQKPYCDAHNFRG-DOTOQJQBSA-N 1 3 260.425 3.171 20 0 CGADHO CCC(CC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000252978995 542351943 /nfs/dbraw/zinc/35/19/43/542351943.db2.gz FQAHKZDTTHKEAD-ARFHVFGLSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H]1CN(Cc2ccc3nc(C)ccc3c2)CC[C@H]1[NH3+] ZINC000252943538 542351673 /nfs/dbraw/zinc/35/16/73/542351673.db2.gz CXEXDYYURLASDV-NVXWUHKLSA-N 1 3 283.419 3.102 20 0 CGADHO CSc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000280928403 195032856 /nfs/dbraw/zinc/03/28/56/195032856.db2.gz UVLAVEOWJFNCEV-CVEARBPZSA-N 1 3 290.476 3.167 20 0 CGADHO CSc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000280928403 195032858 /nfs/dbraw/zinc/03/28/58/195032858.db2.gz UVLAVEOWJFNCEV-CVEARBPZSA-N 1 3 290.476 3.167 20 0 CGADHO CCN(Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]CC1 ZINC000435386582 285106786 /nfs/dbraw/zinc/10/67/86/285106786.db2.gz UMUNABHHFBUEHT-QGZVFWFLSA-N 1 3 283.419 3.199 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765996 220314786 /nfs/dbraw/zinc/31/47/86/220314786.db2.gz FVRBILNOYBJMCW-ZFWWWQNUSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@@H]1C ZINC000353765996 220314787 /nfs/dbraw/zinc/31/47/87/220314787.db2.gz FVRBILNOYBJMCW-ZFWWWQNUSA-N 1 3 294.414 3.139 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000350225325 219000112 /nfs/dbraw/zinc/00/01/12/219000112.db2.gz XQVJJJYHCYVPKQ-BBRMVZONSA-N 1 3 276.424 3.177 20 0 CGADHO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1SC ZINC000423392440 533131427 /nfs/dbraw/zinc/13/14/27/533131427.db2.gz QEIIIHBQDXHSMF-FPMFFAJLSA-N 1 3 294.464 3.338 20 0 CGADHO COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000414055250 533170706 /nfs/dbraw/zinc/17/07/06/533170706.db2.gz CIQIJXDFPYHXAO-LSDHHAIUSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000414055250 533170708 /nfs/dbraw/zinc/17/07/08/533170708.db2.gz CIQIJXDFPYHXAO-LSDHHAIUSA-N 1 3 288.435 3.139 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305108767 542416058 /nfs/dbraw/zinc/41/60/58/542416058.db2.gz DXEIDGJUUCHUPE-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305108767 542416063 /nfs/dbraw/zinc/41/60/63/542416063.db2.gz DXEIDGJUUCHUPE-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000309761272 542426531 /nfs/dbraw/zinc/42/65/31/542426531.db2.gz YBCYRXYDMZHFAS-LJQANCHMSA-N 1 3 295.430 3.002 20 0 CGADHO C[C@@H](NCc1cccc(-c2ccncc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414861346 533452361 /nfs/dbraw/zinc/45/23/61/533452361.db2.gz WLRINZNNVCRVNA-DNVCBOLYSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328864 533412649 /nfs/dbraw/zinc/41/26/49/533412649.db2.gz SNBMNGLUXWZDFG-NOZJJQNGSA-N 1 3 272.314 3.093 20 0 CGADHO C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)ccc1F ZINC000423427472 533433396 /nfs/dbraw/zinc/43/33/96/533433396.db2.gz QMZBVADEGGPPDD-JHJVBQTASA-N 1 3 282.378 3.381 20 0 CGADHO CCC(CC)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000409445278 542628553 /nfs/dbraw/zinc/62/85/53/542628553.db2.gz RMOWODWSBXHRMZ-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCC(CC)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000409445278 542628555 /nfs/dbraw/zinc/62/85/55/542628555.db2.gz RMOWODWSBXHRMZ-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000414925786 542641147 /nfs/dbraw/zinc/64/11/47/542641147.db2.gz MDCPFZOPVNVZCU-HOTGVXAUSA-N 1 3 276.424 3.095 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2csc3ccccc23)C1 ZINC000054463623 392092253 /nfs/dbraw/zinc/09/22/53/392092253.db2.gz BTGDRNHGMVYOCG-CYBMUJFWSA-N 1 3 274.433 3.333 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2csc3ccccc23)C1 ZINC000054463623 392092257 /nfs/dbraw/zinc/09/22/57/392092257.db2.gz BTGDRNHGMVYOCG-CYBMUJFWSA-N 1 3 274.433 3.333 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000219151678 130774429 /nfs/dbraw/zinc/77/44/29/130774429.db2.gz YNPBHGRFFLKCRR-OAHLLOKOSA-N 1 3 260.425 3.458 20 0 CGADHO C[C@H](CCN(C)CC1CCC1)[N@H+](C)CC1CCC1 ZINC000431599183 542653008 /nfs/dbraw/zinc/65/30/08/542653008.db2.gz FRXDNLKFYWCKFL-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CCN(C)CC1CCC1)[N@@H+](C)CC1CCC1 ZINC000431599183 542653009 /nfs/dbraw/zinc/65/30/09/542653009.db2.gz FRXDNLKFYWCKFL-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@H+](C)CC1CCC1)N(C)CC1CCC1 ZINC000431599183 542653010 /nfs/dbraw/zinc/65/30/10/542653010.db2.gz FRXDNLKFYWCKFL-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@@H+](C)CC1CCC1)N(C)CC1CCC1 ZINC000431599183 542653011 /nfs/dbraw/zinc/65/30/11/542653011.db2.gz FRXDNLKFYWCKFL-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000431599960 542653017 /nfs/dbraw/zinc/65/30/17/542653017.db2.gz LCMHCHNAJFFOOW-YXMSTPNBSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](C)[C@@H]1C ZINC000431599960 542653018 /nfs/dbraw/zinc/65/30/18/542653018.db2.gz LCMHCHNAJFFOOW-YXMSTPNBSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@@H]1C)N1CC[C@H](C)[C@@H]1C ZINC000431599960 542653019 /nfs/dbraw/zinc/65/30/19/542653019.db2.gz LCMHCHNAJFFOOW-YXMSTPNBSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CC[N@H+]1CC[C@@H](C)[C@@H]1C)N1CC[C@H](C)[C@@H]1C ZINC000431599960 542653020 /nfs/dbraw/zinc/65/30/20/542653020.db2.gz LCMHCHNAJFFOOW-YXMSTPNBSA-N 1 3 252.446 3.226 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000246858340 131098092 /nfs/dbraw/zinc/09/80/92/131098092.db2.gz CKADZIAHNRZWTG-JZXOWHBKSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000246858340 131098093 /nfs/dbraw/zinc/09/80/93/131098093.db2.gz CKADZIAHNRZWTG-JZXOWHBKSA-N 1 3 290.451 3.082 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247024961 131100258 /nfs/dbraw/zinc/10/02/58/131100258.db2.gz UYUFBDSYDWGQJD-CHWSQXEVSA-N 1 3 289.448 3.289 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000249373108 131121652 /nfs/dbraw/zinc/12/16/52/131121652.db2.gz FGPJKZUCASHMQO-CHWSQXEVSA-N 1 3 266.816 3.332 20 0 CGADHO CC/C=C/CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326501 542680595 /nfs/dbraw/zinc/68/05/95/542680595.db2.gz SGXUSWXDKQTWMM-OCQNNJOQSA-N 1 3 258.409 3.378 20 0 CGADHO CC/C=C/CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326501 542680600 /nfs/dbraw/zinc/68/06/00/542680600.db2.gz SGXUSWXDKQTWMM-OCQNNJOQSA-N 1 3 258.409 3.378 20 0 CGADHO C[C@H](NCCC[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000151933079 392489629 /nfs/dbraw/zinc/48/96/29/392489629.db2.gz KREYJMYOXMVTOY-STQMWFEESA-N 1 3 291.464 3.330 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000369222819 392497917 /nfs/dbraw/zinc/49/79/17/392497917.db2.gz BVYPGKFKZDZPBI-IRXDYDNUSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289965 392640836 /nfs/dbraw/zinc/64/08/36/392640836.db2.gz RCDZTGUZWSOBBJ-UAGQMJEPSA-N 1 3 275.440 3.241 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289965 392640843 /nfs/dbraw/zinc/64/08/43/392640843.db2.gz RCDZTGUZWSOBBJ-UAGQMJEPSA-N 1 3 275.440 3.241 20 0 CGADHO C[C@H](CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479689 392735108 /nfs/dbraw/zinc/73/51/08/392735108.db2.gz PVEXZQXAWFTLQV-HFTRVMKXSA-N 1 3 290.426 3.393 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000507498105 392735358 /nfs/dbraw/zinc/73/53/58/392735358.db2.gz UEFSVDANLKVJEL-MSOLQXFVSA-N 1 3 297.531 3.064 20 0 CGADHO Clc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647550973 392764073 /nfs/dbraw/zinc/76/40/73/392764073.db2.gz RBBZCKVCHVWCLE-MPKXVKKWSA-N 1 3 299.245 3.471 20 0 CGADHO CCCN1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000510249564 392790938 /nfs/dbraw/zinc/79/09/38/392790938.db2.gz ADYPZMXKZBFBRT-ARJAWSKDSA-N 1 3 294.389 3.442 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2CCC(F)CC2)c2ccccc21 ZINC000647803745 392804751 /nfs/dbraw/zinc/80/47/51/392804751.db2.gz AKGMMONELOEHBR-TUHYSUIHSA-N 1 3 262.372 3.249 20 0 CGADHO CCC(C)(C)CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903274 392829379 /nfs/dbraw/zinc/82/93/79/392829379.db2.gz INKLOJXAHXCMFW-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000519779939 392893578 /nfs/dbraw/zinc/89/35/78/392893578.db2.gz SOPQQHRDJNEXBW-KGLIPLIRSA-N 1 3 282.378 3.147 20 0 CGADHO CCC[NH+]1CCC(CNCc2scnc2C2CC2)CC1 ZINC000487294079 542711593 /nfs/dbraw/zinc/71/15/93/542711593.db2.gz AJQURHCSZJZHQN-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000337999746 392895753 /nfs/dbraw/zinc/89/57/53/392895753.db2.gz XSRDBYAVJAHUGV-ROUUACIJSA-N 1 3 272.436 3.417 20 0 CGADHO CN(CCCc1ccc(C(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000647982643 392855414 /nfs/dbraw/zinc/85/54/14/392855414.db2.gz NGWPJRURUWRJPH-UHFFFAOYSA-N 1 3 286.341 3.060 20 0 CGADHO C[C@H]1COCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000376062575 392858866 /nfs/dbraw/zinc/85/88/66/392858866.db2.gz SZCUFLQENAMWBN-JKSUJKDBSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@H+](C)[C@H]2CCCNCC2)C1 ZINC000394551601 392938434 /nfs/dbraw/zinc/93/84/34/392938434.db2.gz ZKFZSTOYEVKDDF-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@H]2CCCNCC2)C1 ZINC000394551601 392938436 /nfs/dbraw/zinc/93/84/36/392938436.db2.gz ZKFZSTOYEVKDDF-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)O[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000462804629 392968308 /nfs/dbraw/zinc/96/83/08/392968308.db2.gz MBVCJVSNJHIUMT-CABCVRRESA-N 1 3 296.499 3.477 20 0 CGADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000462804629 392968319 /nfs/dbraw/zinc/96/83/19/392968319.db2.gz MBVCJVSNJHIUMT-CABCVRRESA-N 1 3 296.499 3.477 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415005064 393089323 /nfs/dbraw/zinc/08/93/23/393089323.db2.gz OQYWLNASTWNPBM-HUHSQHJXSA-N 1 3 290.426 3.297 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1csc(-c2cccs2)n1 ZINC000415013838 393097266 /nfs/dbraw/zinc/09/72/66/393097266.db2.gz LFMKZOMYQNMDSE-LLVKDONJSA-N 1 3 295.477 3.479 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1cc(Cl)ccc1F ZINC000415022487 393099647 /nfs/dbraw/zinc/09/96/47/393099647.db2.gz ZSPBPCXRYYBYGA-JTQLQIEISA-N 1 3 258.768 3.086 20 0 CGADHO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000467439984 393100479 /nfs/dbraw/zinc/10/04/79/393100479.db2.gz OZFHMKTVWMAYHA-ZIAGYGMSSA-N 1 3 252.446 3.275 20 0 CGADHO COc1c(Cl)cc(Cl)cc1CN[C@H](C)CCC[NH3+] ZINC000415023450 393101459 /nfs/dbraw/zinc/10/14/59/393101459.db2.gz MWIFKLZFFSFWJL-SECBINFHSA-N 1 3 291.222 3.219 20 0 CGADHO CC(C)[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414170676 393041207 /nfs/dbraw/zinc/04/12/07/393041207.db2.gz CCGDHDYOPQBROE-RHSMWYFYSA-N 1 3 293.430 3.239 20 0 CGADHO CC(C)[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170676 393041212 /nfs/dbraw/zinc/04/12/12/393041212.db2.gz CCGDHDYOPQBROE-RHSMWYFYSA-N 1 3 293.430 3.239 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414952249 393060246 /nfs/dbraw/zinc/06/02/46/393060246.db2.gz INJWWWCLJRTHFH-AAEUAGOBSA-N 1 3 266.454 3.133 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3cccs3)n2)C1 ZINC000415038835 393107540 /nfs/dbraw/zinc/10/75/40/393107540.db2.gz NPECPRBXXXOAEN-QWRGUYRKSA-N 1 3 293.461 3.089 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348533714 393125198 /nfs/dbraw/zinc/12/51/98/393125198.db2.gz LJIJUHVTKYVWFS-YRBFXIGRSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348533714 393125201 /nfs/dbraw/zinc/12/52/01/393125201.db2.gz LJIJUHVTKYVWFS-YRBFXIGRSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348533714 393125206 /nfs/dbraw/zinc/12/52/06/393125206.db2.gz LJIJUHVTKYVWFS-YRBFXIGRSA-N 1 3 288.435 3.014 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC(C[NH+](C)C)CC1 ZINC000468408775 393140374 /nfs/dbraw/zinc/14/03/74/393140374.db2.gz PDOWOQCCHQIJBY-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000415135394 393156448 /nfs/dbraw/zinc/15/64/48/393156448.db2.gz WQJLCKWBGYOZKC-NUJGCVRESA-N 1 3 274.452 3.172 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000415135394 393156451 /nfs/dbraw/zinc/15/64/51/393156451.db2.gz WQJLCKWBGYOZKC-NUJGCVRESA-N 1 3 274.452 3.172 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000353940900 393235618 /nfs/dbraw/zinc/23/56/18/393235618.db2.gz CWKOKDLADSVPEJ-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)c1ccc(CC[NH2+]CC2=CCN(C)CC2)cc1 ZINC000470295201 393239061 /nfs/dbraw/zinc/23/90/61/393239061.db2.gz CXTOZMQYXGDJMI-UHFFFAOYSA-N 1 3 272.436 3.204 20 0 CGADHO CN(Cc1cncc(C[N@H+](C)C2CCC2)c1)C1CCC1 ZINC000649323935 393401089 /nfs/dbraw/zinc/40/10/89/393401089.db2.gz SMVGAFPYIIUHQY-UHFFFAOYSA-N 1 3 273.424 3.050 20 0 CGADHO CN(Cc1cncc(C[N@@H+](C)C2CCC2)c1)C1CCC1 ZINC000649323935 393401096 /nfs/dbraw/zinc/40/10/96/393401096.db2.gz SMVGAFPYIIUHQY-UHFFFAOYSA-N 1 3 273.424 3.050 20 0 CGADHO C(=C\c1ccccc1)\CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000649351868 393403919 /nfs/dbraw/zinc/40/39/19/393403919.db2.gz DFABSKODNZTEJH-YWEYNIOJSA-N 1 3 293.414 3.307 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)N(C)CC[C@@H]1CC[NH2+]C1 ZINC000420314707 393461454 /nfs/dbraw/zinc/46/14/54/393461454.db2.gz ZJGCHGDARAYPPB-STQMWFEESA-N 1 3 289.448 3.289 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)N(C)CC[C@H]1CC[NH2+]C1 ZINC000420314705 393461836 /nfs/dbraw/zinc/46/18/36/393461836.db2.gz ZJGCHGDARAYPPB-QWHCGFSZSA-N 1 3 289.448 3.289 20 0 CGADHO CCN(CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420316647 393463435 /nfs/dbraw/zinc/46/34/35/393463435.db2.gz MWLKAKMXESLBJH-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO Fc1ccc(CN(CC[C@@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC000420320032 393465289 /nfs/dbraw/zinc/46/52/89/393465289.db2.gz QCQDNIODOQRBAV-ZDUSSCGKSA-N 1 3 294.389 3.319 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329675 393469842 /nfs/dbraw/zinc/46/98/42/393469842.db2.gz OROZAEWRFBWMAT-MCIONIFRSA-N 1 3 294.389 3.347 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429536147 393475827 /nfs/dbraw/zinc/47/58/27/393475827.db2.gz DZXLLDKGCSWYJQ-SJLPKXTDSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429536147 393475835 /nfs/dbraw/zinc/47/58/35/393475835.db2.gz DZXLLDKGCSWYJQ-SJLPKXTDSA-N 1 3 274.452 3.424 20 0 CGADHO CC[C@H](C)C[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000647245007 393409818 /nfs/dbraw/zinc/40/98/18/393409818.db2.gz NAAABACEFFXGHL-DOTOQJQBSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@H](C)C[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000647245007 393409821 /nfs/dbraw/zinc/40/98/21/393409821.db2.gz NAAABACEFFXGHL-DOTOQJQBSA-N 1 3 296.499 3.170 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954816 393556551 /nfs/dbraw/zinc/55/65/51/393556551.db2.gz VKPQHMMARSZHJG-CHWSQXEVSA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954816 393556553 /nfs/dbraw/zinc/55/65/53/393556553.db2.gz VKPQHMMARSZHJG-CHWSQXEVSA-N 1 3 278.362 3.135 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCCOc1cccc2ccccc21 ZINC000430576632 393578442 /nfs/dbraw/zinc/57/84/42/393578442.db2.gz SPCUCSGKBSLVTB-SFHVURJKSA-N 1 3 286.419 3.182 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360984941 393629699 /nfs/dbraw/zinc/62/96/99/393629699.db2.gz SRGNOKWCMHXCNS-FVQBIDKESA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360984941 393629706 /nfs/dbraw/zinc/62/97/06/393629706.db2.gz SRGNOKWCMHXCNS-FVQBIDKESA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000360984941 393629710 /nfs/dbraw/zinc/62/97/10/393629710.db2.gz SRGNOKWCMHXCNS-FVQBIDKESA-N 1 3 278.465 3.286 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738219 393640585 /nfs/dbraw/zinc/64/05/85/393640585.db2.gz ITMMZDHMMWYTLC-YGRLFVJLSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1c(Cl)cccc1Cl ZINC000422738219 393640587 /nfs/dbraw/zinc/64/05/87/393640587.db2.gz ITMMZDHMMWYTLC-YGRLFVJLSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422741952 393641101 /nfs/dbraw/zinc/64/11/01/393641101.db2.gz FSHZELCYJIWHCH-QXSJWSMHSA-N 1 3 252.446 3.181 20 0 CGADHO CCCC[C@H](COC)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422762136 393642694 /nfs/dbraw/zinc/64/26/94/393642694.db2.gz RSYAKFCKZCIKHU-OWCLPIDISA-N 1 3 270.461 3.092 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)c2ccccc21)C1CNC1 ZINC000423015850 393647729 /nfs/dbraw/zinc/64/77/29/393647729.db2.gz LLYAOKPSAPSBEI-KBPBESRZSA-N 1 3 272.436 3.039 20 0 CGADHO C[C@H](NC[C@@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000423015850 393647733 /nfs/dbraw/zinc/64/77/33/393647733.db2.gz LLYAOKPSAPSBEI-KBPBESRZSA-N 1 3 272.436 3.039 20 0 CGADHO C[C@H](N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423025077 393649193 /nfs/dbraw/zinc/64/91/93/393649193.db2.gz NKHVGPWISDOSEY-RVSPLBMKSA-N 1 3 276.399 3.181 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093645 393650299 /nfs/dbraw/zinc/65/02/99/393650299.db2.gz IHPXUXYKHLUSPS-LLDVTBCESA-N 1 3 290.426 3.440 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423111284 393652257 /nfs/dbraw/zinc/65/22/57/393652257.db2.gz IQSXHNATBOXADN-STCOUPBVSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](NC[C@@H]([NH3+])C1CC1)C1(c2ccccc2)CCCC1 ZINC000423321698 393661563 /nfs/dbraw/zinc/66/15/63/393661563.db2.gz NNJLWUWOXBURQC-WMLDXEAASA-N 1 3 272.436 3.214 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423469339 393669437 /nfs/dbraw/zinc/66/94/37/393669437.db2.gz OUJZNCKNFSHDSV-NRUUGDAUSA-N 1 3 297.240 3.324 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C[NH3+])C1CCCC1)CC2 ZINC000423500106 393671571 /nfs/dbraw/zinc/67/15/71/393671571.db2.gz CTCFFJWYJSOSMB-SJORKVTESA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000443428435 393756430 /nfs/dbraw/zinc/75/64/30/393756430.db2.gz ONWJDWYEDVAEHZ-HOTGVXAUSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000443428435 393756432 /nfs/dbraw/zinc/75/64/32/393756432.db2.gz ONWJDWYEDVAEHZ-HOTGVXAUSA-N 1 3 295.430 3.312 20 0 CGADHO c1nc(C2CCCC2)sc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952353 542828366 /nfs/dbraw/zinc/82/83/66/542828366.db2.gz SMTLQJANGHGIKD-AWEZNQCLSA-N 1 3 291.464 3.032 20 0 CGADHO CC1CC(NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000436278520 393716889 /nfs/dbraw/zinc/71/68/89/393716889.db2.gz ANUCWEVLICABLS-ZBCRRDGASA-N 1 3 250.430 3.172 20 0 CGADHO CC1CC(NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436278520 393716891 /nfs/dbraw/zinc/71/68/91/393716891.db2.gz ANUCWEVLICABLS-ZBCRRDGASA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995547 542833489 /nfs/dbraw/zinc/83/34/89/542833489.db2.gz QWIQFNJWYISVRY-WBVHZDCISA-N 1 3 272.436 3.190 20 0 CGADHO Cc1ccccc1C[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995547 542833493 /nfs/dbraw/zinc/83/34/93/542833493.db2.gz QWIQFNJWYISVRY-WBVHZDCISA-N 1 3 272.436 3.190 20 0 CGADHO Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000666995520 542833837 /nfs/dbraw/zinc/83/38/37/542833837.db2.gz QCIAAASIPPAYAZ-JKSUJKDBSA-N 1 3 290.838 3.072 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666995520 542833841 /nfs/dbraw/zinc/83/38/41/542833841.db2.gz QCIAAASIPPAYAZ-JKSUJKDBSA-N 1 3 290.838 3.072 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000666999559 542834918 /nfs/dbraw/zinc/83/49/18/542834918.db2.gz WLAROAIZUMQTGL-MRXNPFEDSA-N 1 3 258.409 3.068 20 0 CGADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000666998138 542835222 /nfs/dbraw/zinc/83/52/22/542835222.db2.gz DXIFXVVCXKNXHK-MRXNPFEDSA-N 1 3 258.409 3.068 20 0 CGADHO CCCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743851307 572689675 /nfs/dbraw/zinc/68/96/75/572689675.db2.gz DNAUEAFRFVQBTR-INIZCTEOSA-N 1 3 252.446 3.375 20 0 CGADHO CCCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000743851307 572689678 /nfs/dbraw/zinc/68/96/78/572689678.db2.gz DNAUEAFRFVQBTR-INIZCTEOSA-N 1 3 252.446 3.375 20 0 CGADHO CCCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000743851307 572689682 /nfs/dbraw/zinc/68/96/82/572689682.db2.gz DNAUEAFRFVQBTR-INIZCTEOSA-N 1 3 252.446 3.375 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265171 543148050 /nfs/dbraw/zinc/14/80/50/543148050.db2.gz VMOIYDWSDLTOPL-GOEBONIOSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265171 543148051 /nfs/dbraw/zinc/14/80/51/543148051.db2.gz VMOIYDWSDLTOPL-GOEBONIOSA-N 1 3 266.473 3.332 20 0 CGADHO CCCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851312 572689312 /nfs/dbraw/zinc/68/93/12/572689312.db2.gz DNAUEAFRFVQBTR-MRXNPFEDSA-N 1 3 252.446 3.375 20 0 CGADHO CCCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000743851312 572689315 /nfs/dbraw/zinc/68/93/15/572689315.db2.gz DNAUEAFRFVQBTR-MRXNPFEDSA-N 1 3 252.446 3.375 20 0 CGADHO CCCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000743851312 572689319 /nfs/dbraw/zinc/68/93/19/572689319.db2.gz DNAUEAFRFVQBTR-MRXNPFEDSA-N 1 3 252.446 3.375 20 0 CGADHO CCC1CC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000551778762 289130867 /nfs/dbraw/zinc/13/08/67/289130867.db2.gz IKFJSQQHTHLZPG-CIDNJEQPSA-N 1 3 264.457 3.418 20 0 CGADHO C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679392 397675358 /nfs/dbraw/zinc/67/53/58/397675358.db2.gz OPGVLVAVLUWFCT-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cc(C)ccc1C ZINC000650718206 397901381 /nfs/dbraw/zinc/90/13/81/397901381.db2.gz BZFMRJLGORWFMH-UHFFFAOYSA-N 1 3 268.404 3.313 20 0 CGADHO Fc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000650740019 397904328 /nfs/dbraw/zinc/90/43/28/397904328.db2.gz DXLGFEKOZUQXJG-YIONKMFJSA-N 1 3 288.410 3.120 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3ccccc32)c(F)c1 ZINC000650752078 397908767 /nfs/dbraw/zinc/90/87/67/397908767.db2.gz IRODMHXXPQWYQA-SFHVURJKSA-N 1 3 284.378 3.452 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1sc(C)nc1C ZINC000650758366 397910274 /nfs/dbraw/zinc/91/02/74/397910274.db2.gz OALYUXVPYMGPPH-NSHDSACASA-N 1 3 289.448 3.330 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(OC)cc1 ZINC000650760158 397911037 /nfs/dbraw/zinc/91/10/37/397911037.db2.gz XRFHPNHGLNXQBY-CQSZACIVSA-N 1 3 284.403 3.265 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccs1 ZINC000650759579 397911364 /nfs/dbraw/zinc/91/13/64/397911364.db2.gz MISMFZKVGRBOCS-LBPRGKRZSA-N 1 3 260.406 3.318 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422806002 296576167 /nfs/dbraw/zinc/57/61/67/296576167.db2.gz HOKKURCIAUPCKS-WBVHZDCISA-N 1 3 272.436 3.086 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)CCCC1 ZINC000421822475 292146355 /nfs/dbraw/zinc/14/63/55/292146355.db2.gz XFJFJMIDKWSUDX-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752126 543361068 /nfs/dbraw/zinc/36/10/68/543361068.db2.gz KWODFYLHHKAMDQ-ONIAQPFYSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752126 543361070 /nfs/dbraw/zinc/36/10/70/543361070.db2.gz KWODFYLHHKAMDQ-ONIAQPFYSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000675752126 543361072 /nfs/dbraw/zinc/36/10/72/543361072.db2.gz KWODFYLHHKAMDQ-ONIAQPFYSA-N 1 3 272.436 3.395 20 0 CGADHO Cc1ccc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677235889 543440490 /nfs/dbraw/zinc/44/04/90/543440490.db2.gz JFHDXFFQUROAJO-OALUTQOASA-N 1 3 286.463 3.452 20 0 CGADHO Cc1ccc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677235889 543440491 /nfs/dbraw/zinc/44/04/91/543440491.db2.gz JFHDXFFQUROAJO-OALUTQOASA-N 1 3 286.463 3.452 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C/C=C\c2ccccc2)CC1 ZINC000678219492 543494762 /nfs/dbraw/zinc/49/47/62/543494762.db2.gz SUCJPSDLOXIURG-UITAMQMPSA-N 1 3 270.420 3.260 20 0 CGADHO CN1CCC2(CCC[N@H+]2C/C=C\c2ccccc2)CC1 ZINC000678219492 543494763 /nfs/dbraw/zinc/49/47/63/543494763.db2.gz SUCJPSDLOXIURG-UITAMQMPSA-N 1 3 270.420 3.260 20 0 CGADHO C[NH+]1CCC2(CCCN2C/C=C\c2ccccc2)CC1 ZINC000678219492 543494765 /nfs/dbraw/zinc/49/47/65/543494765.db2.gz SUCJPSDLOXIURG-UITAMQMPSA-N 1 3 270.420 3.260 20 0 CGADHO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678271098 543506348 /nfs/dbraw/zinc/50/63/48/543506348.db2.gz NIVDKZONNVRNNV-HZPDHXFCSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678271098 543506350 /nfs/dbraw/zinc/50/63/50/543506350.db2.gz NIVDKZONNVRNNV-HZPDHXFCSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000678766265 543554096 /nfs/dbraw/zinc/55/40/96/543554096.db2.gz NKRSWEAAGGKLRU-SPYBWZPUSA-N 1 3 284.447 3.384 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000678766265 543554099 /nfs/dbraw/zinc/55/40/99/543554099.db2.gz NKRSWEAAGGKLRU-SPYBWZPUSA-N 1 3 284.447 3.384 20 0 CGADHO CC[C@H]([NH2+]CC[C@H]1CCCN1C)C1CCCCC1 ZINC000678895084 543569698 /nfs/dbraw/zinc/56/96/98/543569698.db2.gz LMUXVHFXFGUQSK-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc([C@@H](NCC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423368344 292205158 /nfs/dbraw/zinc/20/51/58/292205158.db2.gz RVWSJGLQZYLAKG-IAGOWNOFSA-N 1 3 258.409 3.178 20 0 CGADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC(C)(C)NC(C)(C)C3)C[C@H]2C1 ZINC000424260559 286114449 /nfs/dbraw/zinc/11/44/49/286114449.db2.gz OGAINNNEYVYMQI-XBRFFFJOSA-N 1 3 294.483 3.089 20 0 CGADHO Cc1ccc([C@H](NCCC[NH+](C)C)C2CCC2)cc1 ZINC000186913527 292259817 /nfs/dbraw/zinc/25/98/17/292259817.db2.gz ILNRNNZGRKGRQP-QGZVFWFLSA-N 1 3 260.425 3.378 20 0 CGADHO COCC1CCC([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000449242719 292264262 /nfs/dbraw/zinc/26/42/62/292264262.db2.gz YSPRLNLQUNDRHQ-KLAILNCOSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1CCCC[C@H]1C ZINC000423324203 287039629 /nfs/dbraw/zinc/03/96/29/287039629.db2.gz AVHOPQQAEGBOIU-LVQVYYBASA-N 1 3 252.446 3.181 20 0 CGADHO Cc1c[nH+]ccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000081557751 165166097 /nfs/dbraw/zinc/16/60/97/165166097.db2.gz YEIBIFAHOFJZOO-KRWDZBQOSA-N 1 3 281.403 3.467 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC000085042272 165176867 /nfs/dbraw/zinc/17/68/67/165176867.db2.gz ZBCPGQMLTRFKHV-VYDXJSESSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000090036071 165224839 /nfs/dbraw/zinc/22/48/39/165224839.db2.gz QBEUOMPRZISPQH-WBVHZDCISA-N 1 3 288.435 3.386 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000092746237 165310759 /nfs/dbraw/zinc/31/07/59/165310759.db2.gz RLANBYGSARVKKN-OAHLLOKOSA-N 1 3 283.419 3.384 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000092746237 165310765 /nfs/dbraw/zinc/31/07/65/165310765.db2.gz RLANBYGSARVKKN-OAHLLOKOSA-N 1 3 283.419 3.384 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1cccc(C2CC2)c1 ZINC000094522146 165351747 /nfs/dbraw/zinc/35/17/47/165351747.db2.gz CDYIQCGECJNYSO-KRWDZBQOSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@H](CN1C[C@H](C[NH3+])C[C@@H]1C)c1cccc(Cl)c1 ZINC000262016334 165846888 /nfs/dbraw/zinc/84/68/88/165846888.db2.gz VSXGYHBEDNKXFT-AGIUHOORSA-N 1 3 266.816 3.113 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]CCCN(CC)CC ZINC000116381899 287157238 /nfs/dbraw/zinc/15/72/38/287157238.db2.gz ACPFIVIBEYPKIJ-KRWDZBQOSA-N 1 3 262.441 3.329 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(Cc2ccccc2)CC1 ZINC000124636900 287235708 /nfs/dbraw/zinc/23/57/08/287235708.db2.gz HFXJKVXJHVQNBF-LJQANCHMSA-N 1 3 286.463 3.425 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC(Cc2ccccc2)CC1 ZINC000124636900 287235709 /nfs/dbraw/zinc/23/57/09/287235709.db2.gz HFXJKVXJHVQNBF-LJQANCHMSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000020124168 171006334 /nfs/dbraw/zinc/00/63/34/171006334.db2.gz DORYKJLHENGSNO-LLVKDONJSA-N 1 3 252.789 3.085 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(OC(F)F)c1 ZINC000020129192 171016874 /nfs/dbraw/zinc/01/68/74/171016874.db2.gz ZYGVNIISBNHKKV-CYBMUJFWSA-N 1 3 298.377 3.425 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccccc1 ZINC000020146263 171032672 /nfs/dbraw/zinc/03/26/72/171032672.db2.gz ARDVRJHJYVWKHP-MRXNPFEDSA-N 1 3 260.425 3.459 20 0 CGADHO Fc1ccc(/C=C/C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1F ZINC000285416745 196278665 /nfs/dbraw/zinc/27/86/65/196278665.db2.gz JJBKWCIVALQILI-YRLOJYSSSA-N 1 3 292.373 3.194 20 0 CGADHO c1ccc2cc(CNC[C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000037408307 173184281 /nfs/dbraw/zinc/18/42/81/173184281.db2.gz STGPKORKWVJVCX-MRXNPFEDSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2cc(CNC[C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000037408307 173184282 /nfs/dbraw/zinc/18/42/82/173184282.db2.gz STGPKORKWVJVCX-MRXNPFEDSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2cc(C[NH2+]C[C@H]3CCN(C4CC4)C3)ccc2c1 ZINC000037408307 173184284 /nfs/dbraw/zinc/18/42/84/173184284.db2.gz STGPKORKWVJVCX-MRXNPFEDSA-N 1 3 280.415 3.414 20 0 CGADHO FC(F)(F)c1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000037408276 173184951 /nfs/dbraw/zinc/18/49/51/173184951.db2.gz DOCSCFQRZRDFBC-ZDUSSCGKSA-N 1 3 298.352 3.279 20 0 CGADHO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000040640578 174364495 /nfs/dbraw/zinc/36/44/95/174364495.db2.gz JDKCBOJQQBWKMJ-INIZCTEOSA-N 1 3 288.435 3.048 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128426008 287310830 /nfs/dbraw/zinc/31/08/30/287310830.db2.gz LLORYGQGCMBUKT-UHFFFAOYSA-N 1 3 297.531 3.064 20 0 CGADHO N[C@H]1CCC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071612400 176232722 /nfs/dbraw/zinc/23/27/22/176232722.db2.gz IDCTZAHKDCJNSF-ZWKOTPCHSA-N 1 3 272.436 3.211 20 0 CGADHO C[C@H](CN1CCC([NH2+]CC2CC2)CC1)C(C)(C)C ZINC000310682309 416531964 /nfs/dbraw/zinc/53/19/64/416531964.db2.gz SIGUEBPMSPDKTM-CYBMUJFWSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)[C@H]1CCN ZINC000404382764 416554900 /nfs/dbraw/zinc/55/49/00/416554900.db2.gz NDUBHOUNGPXMAT-VYDXJSESSA-N 1 3 288.435 3.002 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)[C@H]1CCN ZINC000404382764 416554904 /nfs/dbraw/zinc/55/49/04/416554904.db2.gz NDUBHOUNGPXMAT-VYDXJSESSA-N 1 3 288.435 3.002 20 0 CGADHO C[C@]1(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000679043453 543586305 /nfs/dbraw/zinc/58/63/05/543586305.db2.gz IJOZBKJDTXZRNZ-AOIWGVFYSA-N 1 3 284.447 3.455 20 0 CGADHO C[C@]1(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000679043453 543586307 /nfs/dbraw/zinc/58/63/07/543586307.db2.gz IJOZBKJDTXZRNZ-AOIWGVFYSA-N 1 3 284.447 3.455 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000679463155 543637827 /nfs/dbraw/zinc/63/78/27/543637827.db2.gz QBUMHXDGWSXJGA-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000679463155 543637829 /nfs/dbraw/zinc/63/78/29/543637829.db2.gz QBUMHXDGWSXJGA-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000685455186 544073433 /nfs/dbraw/zinc/07/34/33/544073433.db2.gz CQRVSIDFWPSTBX-HOTGVXAUSA-N 1 3 292.442 3.467 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)C1CCCCCC1 ZINC000150264273 287497924 /nfs/dbraw/zinc/49/79/24/287497924.db2.gz MXBVPKBKFSHSFY-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741029 418935909 /nfs/dbraw/zinc/93/59/09/418935909.db2.gz WKBGUCPJBGCSOC-YOEHRIQHSA-N 1 3 290.426 3.355 20 0 CGADHO C[C@@H](C[NH+]1CCC(C)CC1)Nc1nccc2[nH]ccc21 ZINC000664454708 418961006 /nfs/dbraw/zinc/96/10/06/418961006.db2.gz NUMHTJXKZLHIAZ-ZDUSSCGKSA-N 1 3 272.396 3.095 20 0 CGADHO C[C@H](NCC1([NH3+])CCCC1)C(C)(C)c1ccccc1 ZINC000665248535 419091782 /nfs/dbraw/zinc/09/17/82/419091782.db2.gz YRNDGPNHGXIVLV-AWEZNQCLSA-N 1 3 260.425 3.214 20 0 CGADHO CO[C@H](C[NH+]1CCC2(CCCN2C)CC1)C1CCCCC1 ZINC000660166932 419091940 /nfs/dbraw/zinc/09/19/40/419091940.db2.gz IZZLHNMSPIECJG-QGZVFWFLSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@H]1C ZINC000665253013 419094496 /nfs/dbraw/zinc/09/44/96/419094496.db2.gz CYYSWAFRUPYVPG-VVFHAYQLSA-N 1 3 294.389 3.044 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274186 419098435 /nfs/dbraw/zinc/09/84/35/419098435.db2.gz LMXLBUCEYLNOCP-GDIGMMSISA-N 1 3 295.430 3.446 20 0 CGADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665279860 419100863 /nfs/dbraw/zinc/10/08/63/419100863.db2.gz NTWXTHJNZWQLMV-GTKKAYRTSA-N 1 3 296.867 3.235 20 0 CGADHO Clc1ccc([C@@H]2CC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279560 419101276 /nfs/dbraw/zinc/10/12/76/419101276.db2.gz GCPDKMMEIXCAOC-PWDHUQTKSA-N 1 3 290.838 3.318 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(Cl)cc1 ZINC000665280307 419102069 /nfs/dbraw/zinc/10/20/69/419102069.db2.gz YDPWGSVLAXCYFZ-BXUZGUMPSA-N 1 3 254.805 3.364 20 0 CGADHO Cc1ccc([C@H](NCC[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000665280526 419102203 /nfs/dbraw/zinc/10/22/03/419102203.db2.gz FHMRAJZVHYRKRA-SJORKVTESA-N 1 3 260.425 3.409 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000665299394 419110275 /nfs/dbraw/zinc/11/02/75/419110275.db2.gz MIBNBBTUZIWVAT-RYRKJORJSA-N 1 3 272.436 3.214 20 0 CGADHO CC1(C)C[C@]1(CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000665299394 419110278 /nfs/dbraw/zinc/11/02/78/419110278.db2.gz MIBNBBTUZIWVAT-RYRKJORJSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256162 419115112 /nfs/dbraw/zinc/11/51/12/419115112.db2.gz IURZBBYRENYOAD-GDBMZVCRSA-N 1 3 287.451 3.011 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983484 419052345 /nfs/dbraw/zinc/05/23/45/419052345.db2.gz NOFGZDYQFIRYLX-BPQIPLTHSA-N 1 3 296.499 3.386 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](OC)C2CCCCC2)C[C@H]1C ZINC000659983484 419052351 /nfs/dbraw/zinc/05/23/51/419052351.db2.gz NOFGZDYQFIRYLX-BPQIPLTHSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656197969 419148220 /nfs/dbraw/zinc/14/82/20/419148220.db2.gz SEXAJSRCRKQQGR-HUUCEWRRSA-N 1 3 276.424 3.048 20 0 CGADHO CCCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000656198794 419148491 /nfs/dbraw/zinc/14/84/91/419148491.db2.gz UPGQTNCDZSKKJQ-CVEARBPZSA-N 1 3 276.424 3.143 20 0 CGADHO CC(C)NC1(CO)CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000660673679 419181044 /nfs/dbraw/zinc/18/10/44/419181044.db2.gz BMRQQSYNJKIUSE-INIZCTEOSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)[NH2+]C1(CO)CCN(C[C@@H]2CCCCC2(C)C)CC1 ZINC000660673679 419181046 /nfs/dbraw/zinc/18/10/46/419181046.db2.gz BMRQQSYNJKIUSE-INIZCTEOSA-N 1 3 296.499 3.028 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N(C)C)c1ccc(F)cc1 ZINC000656682539 419200757 /nfs/dbraw/zinc/20/07/57/419200757.db2.gz UETUARQPCLBNIY-WFASDCNBSA-N 1 3 252.377 3.207 20 0 CGADHO Fc1cccc(F)c1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784739 419218372 /nfs/dbraw/zinc/21/83/72/419218372.db2.gz GRTDWDNFHQBXJV-CQSZACIVSA-N 1 3 294.389 3.176 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2cccc(C3CCCC3)c2)C1 ZINC000656786765 419220148 /nfs/dbraw/zinc/22/01/48/419220148.db2.gz QFMUUKYFMSYMQX-OAHLLOKOSA-N 1 3 258.409 3.125 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2NCC2([NH3+])CCCC2)cc1 ZINC000656789147 419221322 /nfs/dbraw/zinc/22/13/22/419221322.db2.gz KQWMVGXLTYFZCS-IRXDYDNUSA-N 1 3 272.436 3.492 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)[C@H](C)C2 ZINC000656792476 419222275 /nfs/dbraw/zinc/22/22/75/419222275.db2.gz RHQXZPRRDLCOFW-UTXMOHQDSA-N 1 3 258.409 3.088 20 0 CGADHO C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657734808 419333270 /nfs/dbraw/zinc/33/32/70/419333270.db2.gz UXKCFMMSUWWGKK-BJWYYQGGSA-N 1 3 262.441 3.172 20 0 CGADHO C1C[C@@H]2[C@H](C1)[C@@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000657734808 419333273 /nfs/dbraw/zinc/33/32/73/419333273.db2.gz UXKCFMMSUWWGKK-BJWYYQGGSA-N 1 3 262.441 3.172 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657864412 419394341 /nfs/dbraw/zinc/39/43/41/419394341.db2.gz ZZZPOKYEOLKYCD-UONOGXRCSA-N 1 3 287.407 3.210 20 0 CGADHO Cc1cccc(CNCC2CC[NH+](CC3CC3)CC2)c1F ZINC000657814034 419365104 /nfs/dbraw/zinc/36/51/04/419365104.db2.gz FUCDZEVWOBLTAT-UHFFFAOYSA-N 1 3 290.426 3.346 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840825 419384076 /nfs/dbraw/zinc/38/40/76/419384076.db2.gz KUPSSDLYYIIZHH-NWDGAFQWSA-N 1 3 283.366 3.012 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657842728 419384344 /nfs/dbraw/zinc/38/43/44/419384344.db2.gz WYDUJECBQFFJFX-OLZOCXBDSA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657842728 419384346 /nfs/dbraw/zinc/38/43/46/419384346.db2.gz WYDUJECBQFFJFX-OLZOCXBDSA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657842728 419384350 /nfs/dbraw/zinc/38/43/50/419384350.db2.gz WYDUJECBQFFJFX-OLZOCXBDSA-N 1 3 289.448 3.289 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cc2ccncc2s1 ZINC000657939221 419455392 /nfs/dbraw/zinc/45/53/92/419455392.db2.gz VWQNRYPJKQZIHC-GFCCVEGCSA-N 1 3 287.432 3.209 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000663499026 419637378 /nfs/dbraw/zinc/63/73/78/419637378.db2.gz VKHCSKXXYJAMLX-FTJRRQOFSA-N 1 3 284.447 3.445 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCSCC1 ZINC000663464677 419616409 /nfs/dbraw/zinc/61/64/09/419616409.db2.gz FYKLFNCLQSBQTM-GDBMZVCRSA-N 1 3 296.524 3.230 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCCC1 ZINC000663466007 419617117 /nfs/dbraw/zinc/61/71/17/419617117.db2.gz MZHGCGHRPNMXDU-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)CCCC1 ZINC000663466007 419617123 /nfs/dbraw/zinc/61/71/23/419617123.db2.gz MZHGCGHRPNMXDU-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466007 419617133 /nfs/dbraw/zinc/61/71/33/419617133.db2.gz MZHGCGHRPNMXDU-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467737 419619597 /nfs/dbraw/zinc/61/95/97/419619597.db2.gz HQCKVIUNGGHQLG-WBVHZDCISA-N 1 3 290.451 3.312 20 0 CGADHO CCC[C@H](CC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468486 419620154 /nfs/dbraw/zinc/62/01/54/419620154.db2.gz LKRPYWWGXADJSQ-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCC1 ZINC000663466393 419621024 /nfs/dbraw/zinc/62/10/24/419621024.db2.gz SGODTGTTWSXNDY-DOTOQJQBSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)C(F)F ZINC000663466514 419622460 /nfs/dbraw/zinc/62/24/60/419622460.db2.gz UYSZLOWZIJDGTG-GXTWGEPZSA-N 1 3 288.426 3.378 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000390557708 262217567 /nfs/dbraw/zinc/21/75/67/262217567.db2.gz LUTBAPGXLGSVKA-APIJFGDWSA-N 1 3 286.410 3.322 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000184567602 263132540 /nfs/dbraw/zinc/13/25/40/263132540.db2.gz PQWQFKLCLQFFKO-AWEZNQCLSA-N 1 3 260.425 3.417 20 0 CGADHO C1=C(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000184574858 263132565 /nfs/dbraw/zinc/13/25/65/263132565.db2.gz AOUNWJNLVUGXDI-DLBZAZTESA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000184574858 263132566 /nfs/dbraw/zinc/13/25/66/263132566.db2.gz AOUNWJNLVUGXDI-DLBZAZTESA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000184574858 263132567 /nfs/dbraw/zinc/13/25/67/263132567.db2.gz AOUNWJNLVUGXDI-DLBZAZTESA-N 1 3 262.441 3.483 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC[C@H](C)c2ccccc2)C1 ZINC000043536056 270034629 /nfs/dbraw/zinc/03/46/29/270034629.db2.gz LTNVPHFHZILXQG-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533856 270035971 /nfs/dbraw/zinc/03/59/71/270035971.db2.gz VCBDPTKIFXLABH-OLZOCXBDSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533856 270035972 /nfs/dbraw/zinc/03/59/72/270035972.db2.gz VCBDPTKIFXLABH-OLZOCXBDSA-N 1 3 298.377 3.280 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044535707 270036716 /nfs/dbraw/zinc/03/67/16/270036716.db2.gz XWBSGYJGYCKGHY-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044535707 270036718 /nfs/dbraw/zinc/03/67/18/270036718.db2.gz XWBSGYJGYCKGHY-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000251890004 270091478 /nfs/dbraw/zinc/09/14/78/270091478.db2.gz RTKDQNTZIOBRIS-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000521609953 270102740 /nfs/dbraw/zinc/10/27/40/270102740.db2.gz SJQHOMTZJFKRBP-NWANDNLSSA-N 1 3 262.397 3.006 20 0 CGADHO CC(C)CCC[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000526113139 270123146 /nfs/dbraw/zinc/12/31/46/270123146.db2.gz MBARTTRPNHEXIZ-INIZCTEOSA-N 1 3 254.462 3.380 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNCC2(F)CC2)c1 ZINC000526974848 270123841 /nfs/dbraw/zinc/12/38/41/270123841.db2.gz UUOYJLYCPIQFCY-UHFFFAOYSA-N 1 3 264.388 3.120 20 0 CGADHO NCc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000527589615 270129930 /nfs/dbraw/zinc/12/99/30/270129930.db2.gz YBKFTKJMCJCYGL-UHFFFAOYSA-N 1 3 272.417 3.470 20 0 CGADHO c1ccc2c(c1)CCC(C[NH2+][C@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000527733377 270133098 /nfs/dbraw/zinc/13/30/98/270133098.db2.gz GHKYEINWGXPOTP-VQTJNVASSA-N 1 3 298.474 3.398 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCNC23CCC3)C2CC2)c1 ZINC000530216459 270195560 /nfs/dbraw/zinc/19/55/60/270195560.db2.gz BLJXCQUQVFCZDN-ZWKOTPCHSA-N 1 3 284.447 3.190 20 0 CGADHO CC(C)CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215892 270195960 /nfs/dbraw/zinc/19/59/60/270195960.db2.gz JZRJZILRRXMIFY-HUUCEWRRSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530215892 270195961 /nfs/dbraw/zinc/19/59/61/270195961.db2.gz JZRJZILRRXMIFY-HUUCEWRRSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](Cc1ccsc1)NC1CC([NH+]2CCCCC2)C1 ZINC000530287218 270198405 /nfs/dbraw/zinc/19/84/05/270198405.db2.gz INMDELSHSDBNOJ-IUDNXUCKSA-N 1 3 278.465 3.286 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000532521823 270216943 /nfs/dbraw/zinc/21/69/43/270216943.db2.gz UIZPBILLNXNOHC-ZBFHGGJFSA-N 1 3 284.513 3.372 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000358666480 278340965 /nfs/dbraw/zinc/34/09/65/278340965.db2.gz PSYPLXZNQXFNOP-UHFFFAOYSA-N 1 3 266.351 3.181 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2cc(Br)ccc21 ZINC000423312988 274214010 /nfs/dbraw/zinc/21/40/10/274214010.db2.gz VZTPKBYLINEIGX-IINYFYTJSA-N 1 3 297.240 3.011 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@H]1CCCCN1 ZINC000422827968 274251351 /nfs/dbraw/zinc/25/13/51/274251351.db2.gz AHFYZOZGYMNODQ-KBRIMQKVSA-N 1 3 290.476 3.137 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000453239162 274335240 /nfs/dbraw/zinc/33/52/40/274335240.db2.gz SEQNTURVADNJQR-DQYPLSBCSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000453239162 274335241 /nfs/dbraw/zinc/33/52/41/274335241.db2.gz SEQNTURVADNJQR-DQYPLSBCSA-N 1 3 276.399 3.133 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262526421 275069000 /nfs/dbraw/zinc/06/90/00/275069000.db2.gz OZGSESPXXRCWTR-HXUWFJFHSA-N 1 3 290.410 3.442 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2NCC1=CC[NH2+]CC1 ZINC000335502753 275069158 /nfs/dbraw/zinc/06/91/58/275069158.db2.gz YWBGHGKMXQFUDM-UHFFFAOYSA-N 1 3 276.383 3.266 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000423351191 275678887 /nfs/dbraw/zinc/67/88/87/275678887.db2.gz YROVGEVWMDNTIW-OWCLPIDISA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)[C@H]([NH2+]CCNC2CCCCCC2)[C@H]2CCCO[C@H]21 ZINC000423280493 276163296 /nfs/dbraw/zinc/16/32/96/276163296.db2.gz STGJWEDIZCVOIB-BRWVUGGUSA-N 1 3 294.483 3.092 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250251047 276221890 /nfs/dbraw/zinc/22/18/90/276221890.db2.gz IODIIDLQTLMMKW-OCCSQVGLSA-N 1 3 264.438 3.057 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250251047 276221892 /nfs/dbraw/zinc/22/18/92/276221892.db2.gz IODIIDLQTLMMKW-OCCSQVGLSA-N 1 3 264.438 3.057 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000250251047 276221893 /nfs/dbraw/zinc/22/18/93/276221893.db2.gz IODIIDLQTLMMKW-OCCSQVGLSA-N 1 3 264.438 3.057 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)C2CCCC2)C1 ZINC000449095363 276263579 /nfs/dbraw/zinc/26/35/79/276263579.db2.gz XYEYENKWIPDWTO-HOCLYGCPSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[NH2+]CCN[C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423312372 276266353 /nfs/dbraw/zinc/26/63/53/276266353.db2.gz RROZCRHSBZACJQ-HIFPTAJRSA-N 1 3 280.378 3.333 20 0 CGADHO CCO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1ccccc1 ZINC000423090373 276358567 /nfs/dbraw/zinc/35/85/67/276358567.db2.gz VHWNDTHIVLGRKZ-GVDBMIGSSA-N 1 3 276.424 3.014 20 0 CGADHO CCS[C@@H]1CCC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422820983 276398598 /nfs/dbraw/zinc/39/85/98/276398598.db2.gz TXVVZBGYBJQGJQ-BARDWOONSA-N 1 3 270.486 3.171 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423348945 276473790 /nfs/dbraw/zinc/47/37/90/276473790.db2.gz UYASIIZYNQFYRQ-JJXSEGSLSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)(C)OCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354868001 277213950 /nfs/dbraw/zinc/21/39/50/277213950.db2.gz ZIPRABJMMUBIAX-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO CC(C)(C)OCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000354868001 277213953 /nfs/dbraw/zinc/21/39/53/277213953.db2.gz ZIPRABJMMUBIAX-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO CC(C)(C)OCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000354868001 277213955 /nfs/dbraw/zinc/21/39/55/277213955.db2.gz ZIPRABJMMUBIAX-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)CN1CCCC1 ZINC000338000210 287955605 /nfs/dbraw/zinc/95/56/05/287955605.db2.gz VARDAMGUBCBTGS-PMPSAXMXSA-N 1 3 270.436 3.226 20 0 CGADHO CC(C)CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349238 277351354 /nfs/dbraw/zinc/35/13/54/277351354.db2.gz MGADBFVQONYCAF-WBVHZDCISA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000429349238 277351355 /nfs/dbraw/zinc/35/13/55/277351355.db2.gz MGADBFVQONYCAF-WBVHZDCISA-N 1 3 264.457 3.371 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422792567 277948321 /nfs/dbraw/zinc/94/83/21/277948321.db2.gz ZMASDTRURNIDLH-JOQOYGCGSA-N 1 3 288.435 3.050 20 0 CGADHO CC(C)=CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907489 288000868 /nfs/dbraw/zinc/00/08/68/288000868.db2.gz IZXABYHTRPTYBN-RBUKOAKNSA-N 1 3 284.447 3.407 20 0 CGADHO CC(C)=CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907489 288000870 /nfs/dbraw/zinc/00/08/70/288000870.db2.gz IZXABYHTRPTYBN-RBUKOAKNSA-N 1 3 284.447 3.407 20 0 CGADHO CC(C)c1ccc([C@H](C)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261701328 278047781 /nfs/dbraw/zinc/04/77/81/278047781.db2.gz ILJVQUFFWGASCU-BMGDILEWSA-N 1 3 272.436 3.412 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422763243 278145593 /nfs/dbraw/zinc/14/55/93/278145593.db2.gz OQEPCAUBXKMPAL-CORIIIEPSA-N 1 3 293.480 3.174 20 0 CGADHO CC(CN1CCC[C@@H](C)C1)C[N@@H+]1CCC[C@@H](C)C1 ZINC000357745360 278156252 /nfs/dbraw/zinc/15/62/52/278156252.db2.gz RZRLYAOAKPESKI-HUUCEWRRSA-N 1 3 252.446 3.086 20 0 CGADHO CC(CN1CCC[C@@H](C)C1)C[N@H+]1CCC[C@@H](C)C1 ZINC000357745360 278156253 /nfs/dbraw/zinc/15/62/53/278156253.db2.gz RZRLYAOAKPESKI-HUUCEWRRSA-N 1 3 252.446 3.086 20 0 CGADHO CC/C=C/CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000342198979 278164130 /nfs/dbraw/zinc/16/41/30/278164130.db2.gz IIZNBMNWPCKHCD-CSLAMCDYSA-N 1 3 294.483 3.164 20 0 CGADHO C[C@H](CC[NH2+]C1CC2(CCC2)C1)N1CCCCC1 ZINC000459472089 278173700 /nfs/dbraw/zinc/17/37/00/278173700.db2.gz CJAGKTPDCOMRJP-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423308562 278245615 /nfs/dbraw/zinc/24/56/15/278245615.db2.gz OVPKJOCPQOHLHV-KBXCAEBGSA-N 1 3 286.394 3.294 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1Cc2ccccc2C1 ZINC000235112938 278294080 /nfs/dbraw/zinc/29/40/80/278294080.db2.gz LRIGUANLWDXEJF-YOEHRIQHSA-N 1 3 272.436 3.054 20 0 CGADHO CC1(C)C[N@H+](C[C@H]2CCCNC2)C[C@H]1c1ccccc1 ZINC000469984650 278336016 /nfs/dbraw/zinc/33/60/16/278336016.db2.gz UIQSCNFAHNBEJV-RDJZCZTQSA-N 1 3 272.436 3.112 20 0 CGADHO CC1(C)C[N@@H+](C[C@H]2CCCNC2)C[C@H]1c1ccccc1 ZINC000469984650 278336018 /nfs/dbraw/zinc/33/60/18/278336018.db2.gz UIQSCNFAHNBEJV-RDJZCZTQSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423227669 278348257 /nfs/dbraw/zinc/34/82/57/278348257.db2.gz WNTVWYLLQDLHQM-VHSXEESVSA-N 1 3 260.303 3.093 20 0 CGADHO C[C@@H](NC[C@@H]([NH3+])C1CC1)C1(c2ccccc2)CCCC1 ZINC000423321697 278349692 /nfs/dbraw/zinc/34/96/92/278349692.db2.gz NNJLWUWOXBURQC-RHSMWYFYSA-N 1 3 272.436 3.214 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423479291 288046236 /nfs/dbraw/zinc/04/62/36/288046236.db2.gz UYCQRNROMLQOPV-JQHSSLGASA-N 1 3 290.426 3.297 20 0 CGADHO CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000111619591 278462208 /nfs/dbraw/zinc/46/22/08/278462208.db2.gz UMWUFKNRSZSLLZ-UHFFFAOYSA-N 1 3 273.424 3.220 20 0 CGADHO C1=C(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423054050 288062872 /nfs/dbraw/zinc/06/28/72/288062872.db2.gz UCTCSLSBPWRFMZ-KZNAEPCWSA-N 1 3 292.467 3.014 20 0 CGADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000459406153 288090279 /nfs/dbraw/zinc/09/02/79/288090279.db2.gz KVDAGTFDDKFENS-INIZCTEOSA-N 1 3 275.440 3.465 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000422737953 279082818 /nfs/dbraw/zinc/08/28/18/279082818.db2.gz YBLFGCHRPCEEFX-CXUUEIJPSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000358774553 279383906 /nfs/dbraw/zinc/38/39/06/279383906.db2.gz NRPMRHOQGTWMKY-CQSZACIVSA-N 1 3 276.424 3.207 20 0 CGADHO C[C@H](Cc1ccoc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000358774553 279383909 /nfs/dbraw/zinc/38/39/09/279383909.db2.gz NRPMRHOQGTWMKY-CQSZACIVSA-N 1 3 276.424 3.207 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@@H]1C[C@H]1c1ccccc1 ZINC000423268829 279504317 /nfs/dbraw/zinc/50/43/17/279504317.db2.gz FCAZRZPIYDJDQM-SRVCANOKSA-N 1 3 272.436 3.286 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000361746181 288160766 /nfs/dbraw/zinc/16/07/66/288160766.db2.gz UVNSKKCNJZASNA-NNPSNHGLSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC23CCC3)C[C@@H](C)O1 ZINC000449103913 288161608 /nfs/dbraw/zinc/16/16/08/288161608.db2.gz SNHSLYNMYGSFTD-ZACQAIPSSA-N 1 3 294.483 3.188 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422816895 280051101 /nfs/dbraw/zinc/05/11/01/280051101.db2.gz GKMNTNACUXXWGK-LXTVHRRPSA-N 1 3 270.486 3.158 20 0 CGADHO CC[C@@H](NC[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423132875 280189167 /nfs/dbraw/zinc/18/91/67/280189167.db2.gz PPWIJJBUQLWGOD-MCIONIFRSA-N 1 3 274.399 3.322 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCCN1 ZINC000423132875 280189169 /nfs/dbraw/zinc/18/91/69/280189169.db2.gz PPWIJJBUQLWGOD-MCIONIFRSA-N 1 3 274.399 3.322 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000423368115 280957118 /nfs/dbraw/zinc/95/71/18/280957118.db2.gz CZBRHQQIEWKSJM-LZWOXQAQSA-N 1 3 276.424 3.314 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000423389143 280992894 /nfs/dbraw/zinc/99/28/94/280992894.db2.gz OAJVXDYPKNUXRQ-BBWFWOEESA-N 1 3 258.409 3.306 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530179992 288296741 /nfs/dbraw/zinc/29/67/41/288296741.db2.gz ZJMCYTHWMWVKJW-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000531702535 288341023 /nfs/dbraw/zinc/34/10/23/288341023.db2.gz IMKPBRKSCORRGQ-ARFHVFGLSA-N 1 3 252.446 3.275 20 0 CGADHO CO[C@@H]1CCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000541908946 288726677 /nfs/dbraw/zinc/72/66/77/288726677.db2.gz WSMFRYRQLOQVAO-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC000414951011 288766276 /nfs/dbraw/zinc/76/62/76/288766276.db2.gz PKPBDSCXXKHSND-MXASKKJJSA-N 1 3 258.409 3.053 20 0 CGADHO CCc1nc2ccccc2c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000548791381 289022807 /nfs/dbraw/zinc/02/28/07/289022807.db2.gz JPCGFQORBVYGOY-UKRRQHHQSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1nc2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000548791381 289022808 /nfs/dbraw/zinc/02/28/08/289022808.db2.gz JPCGFQORBVYGOY-UKRRQHHQSA-N 1 3 297.446 3.422 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123163 289067265 /nfs/dbraw/zinc/06/72/65/289067265.db2.gz PEICUJZIMAGNJB-RDTXWAMCSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123163 289067267 /nfs/dbraw/zinc/06/72/67/289067267.db2.gz PEICUJZIMAGNJB-RDTXWAMCSA-N 1 3 272.436 3.384 20 0 CGADHO CC[C@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000554072322 289255138 /nfs/dbraw/zinc/25/51/38/289255138.db2.gz RGBIBVKCUDDMJF-BBRMVZONSA-N 1 3 250.430 3.172 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000337416312 289309075 /nfs/dbraw/zinc/30/90/75/289309075.db2.gz ZLLGOJWTXUKORF-AALSBFMBSA-N 1 3 250.430 3.028 20 0 CGADHO CCC1CC([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000556585728 289399272 /nfs/dbraw/zinc/39/92/72/289399272.db2.gz IONYAKALPLWAAW-PJPHBNEVSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000252196591 290388184 /nfs/dbraw/zinc/38/81/84/290388184.db2.gz SLMXBDVIKALVSP-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CO[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422919306 294460832 /nfs/dbraw/zinc/46/08/32/294460832.db2.gz JNCUFXPFRYIXHQ-CWRNSKLLSA-N 1 3 296.842 3.135 20 0 CGADHO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)ccc1SC ZINC000424370595 295024441 /nfs/dbraw/zinc/02/44/41/295024441.db2.gz DSHOETGFIIADSN-IACUBPJLSA-N 1 3 294.464 3.338 20 0 CGADHO COc1ccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C(C)C)cc1 ZINC000422781798 295217044 /nfs/dbraw/zinc/21/70/44/295217044.db2.gz JHQNULITECFALF-WBVHZDCISA-N 1 3 276.424 3.124 20 0 CGADHO COc1ccc([C@H](NC[C@@]2(C)CCC[NH2+]C2)C(C)C)cc1 ZINC000423336191 295245151 /nfs/dbraw/zinc/24/51/51/295245151.db2.gz JPBDEJACWQAFMZ-MSOLQXFVSA-N 1 3 290.451 3.372 20 0 CGADHO COc1ccc([C@H]([NH2+]C[C@@]2(C)CCCNC2)C(C)C)cc1 ZINC000423336191 295245153 /nfs/dbraw/zinc/24/51/53/295245153.db2.gz JPBDEJACWQAFMZ-MSOLQXFVSA-N 1 3 290.451 3.372 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)NC[C@H]1CC[NH2+]C1 ZINC000420415799 302182956 /nfs/dbraw/zinc/18/29/56/302182956.db2.gz VHVATVJZZMISNB-RDJZCZTQSA-N 1 3 260.425 3.281 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000422915320 303400793 /nfs/dbraw/zinc/40/07/93/303400793.db2.gz ATXNPNPPJCFTJV-VGWMRTNUSA-N 1 3 250.430 3.062 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H](N)C(C)C)ccc1Oc1cccnc1 ZINC000414803759 533697311 /nfs/dbraw/zinc/69/73/11/533697311.db2.gz WTUQGKZEWMJXIW-QGZVFWFLSA-N 1 3 299.418 3.255 20 0 CGADHO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000164277979 321901000 /nfs/dbraw/zinc/90/10/00/321901000.db2.gz SHGCCWNATADANT-GJZGRUSLSA-N 1 3 290.451 3.466 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000166035985 321906483 /nfs/dbraw/zinc/90/64/83/321906483.db2.gz STUZQWPXQIOAGO-BBRMVZONSA-N 1 3 298.858 3.347 20 0 CGADHO CCC[C@H](CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000564970277 322051831 /nfs/dbraw/zinc/05/18/31/322051831.db2.gz JLUFLGDUXZAPDK-KZNAEPCWSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000565658585 322086193 /nfs/dbraw/zinc/08/61/93/322086193.db2.gz PPRQFUNMIZXHHN-XJNFMUPTSA-N 1 3 260.425 3.212 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000566089572 322103954 /nfs/dbraw/zinc/10/39/54/322103954.db2.gz QNCWTCXWMNYNRV-QCEMKRCNSA-N 1 3 287.451 3.468 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000567167248 322152864 /nfs/dbraw/zinc/15/28/64/322152864.db2.gz JZADTFFCESUJLK-OLMNGRFOSA-N 1 3 268.420 3.168 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000567415587 322162476 /nfs/dbraw/zinc/16/24/76/322162476.db2.gz GRLGEVMBZLQPFR-OWCLPIDISA-N 1 3 252.446 3.133 20 0 CGADHO C(=C\c1ccccc1)\CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567501667 322165963 /nfs/dbraw/zinc/16/59/63/322165963.db2.gz BFISZSSCSHTZHS-NCRRVARUSA-N 1 3 270.420 3.021 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCc2c1cccc2Cl ZINC000567639052 322171899 /nfs/dbraw/zinc/17/18/99/322171899.db2.gz ODJGODRGUYPVMT-XZJROXQQSA-N 1 3 278.827 3.434 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Oc1cccc(Cl)c1 ZINC000568248093 322200461 /nfs/dbraw/zinc/20/04/61/322200461.db2.gz HKLGOJTYQZSIRV-SOUVJXGZSA-N 1 3 296.842 3.357 20 0 CGADHO CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000569501558 322248988 /nfs/dbraw/zinc/24/89/88/322248988.db2.gz FNYFWBKOIFTFFU-OLZOCXBDSA-N 1 3 282.815 3.098 20 0 CGADHO C[C@H]1C[C@H](CN2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163019 322266408 /nfs/dbraw/zinc/26/64/08/322266408.db2.gz YGZZCJTYYCYGSS-WDEREUQCSA-N 1 3 284.856 3.148 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570281030 322269502 /nfs/dbraw/zinc/26/95/02/322269502.db2.gz QZUUYONJHMCXJX-XJKSGUPXSA-N 1 3 276.399 3.208 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCOCC1 ZINC000571733451 322306431 /nfs/dbraw/zinc/30/64/31/322306431.db2.gz WYXORUGQAIIBQX-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1ccnc([C@@H]2CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000573384222 322385452 /nfs/dbraw/zinc/38/54/52/322385452.db2.gz SLWFWMSOGOTWPM-QGZVFWFLSA-N 1 3 287.451 3.055 20 0 CGADHO Cc1ccnc([C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000573384222 322385453 /nfs/dbraw/zinc/38/54/53/322385453.db2.gz SLWFWMSOGOTWPM-QGZVFWFLSA-N 1 3 287.451 3.055 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)CN1CCCC1 ZINC000577014597 335282145 /nfs/dbraw/zinc/28/21/45/335282145.db2.gz JTGUIZSSPUVSJO-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000577077689 335296494 /nfs/dbraw/zinc/29/64/94/335296494.db2.gz SBWTYJPSCZSZCJ-INMHGKMJSA-N 1 3 258.409 3.232 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1Cl ZINC000577626780 335381800 /nfs/dbraw/zinc/38/18/00/335381800.db2.gz SJKATWRPORWQCU-CHWSQXEVSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000577626780 335381801 /nfs/dbraw/zinc/38/18/01/335381801.db2.gz SJKATWRPORWQCU-CHWSQXEVSA-N 1 3 280.843 3.477 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2ccoc2)CC1 ZINC000177948225 335406316 /nfs/dbraw/zinc/40/63/16/335406316.db2.gz SIKNELSZXBGAAD-CYBMUJFWSA-N 1 3 250.386 3.052 20 0 CGADHO Cc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000581824875 336147928 /nfs/dbraw/zinc/14/79/28/336147928.db2.gz HKMACCHUNXERFL-CQSZACIVSA-N 1 3 254.377 3.305 20 0 CGADHO C[C@@H](C[N@H+](C)C[C@H]1CCCNC1)C1CCCCC1 ZINC000386184564 336167802 /nfs/dbraw/zinc/16/78/02/336167802.db2.gz JEOKJQXETDPOPG-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H](C[N@@H+](C)C[C@H]1CCCNC1)C1CCCCC1 ZINC000386184564 336167804 /nfs/dbraw/zinc/16/78/04/336167804.db2.gz JEOKJQXETDPOPG-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)CN(C)C ZINC000386450631 336174979 /nfs/dbraw/zinc/17/49/79/336174979.db2.gz DOVOXBXJTDDCOV-QWRGUYRKSA-N 1 3 272.795 3.327 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449359449 533960648 /nfs/dbraw/zinc/96/06/48/533960648.db2.gz QGTMXWKKOGYBCW-XYJFISCASA-N 1 3 296.499 3.028 20 0 CGADHO COCc1cccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000088553563 523052060 /nfs/dbraw/zinc/05/20/60/523052060.db2.gz RPCSFOBPQDWZSK-UHFFFAOYSA-N 1 3 290.451 3.186 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Cl)cc2F)C1 ZINC000459772267 536384264 /nfs/dbraw/zinc/38/42/64/536384264.db2.gz IIQWDXCELFTCSW-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@@H]1CN ZINC000150293384 524232292 /nfs/dbraw/zinc/23/22/92/524232292.db2.gz ZTBBXOMAIFAGDW-BXUZGUMPSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1CN ZINC000150293384 524232300 /nfs/dbraw/zinc/23/23/00/524232300.db2.gz ZTBBXOMAIFAGDW-BXUZGUMPSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1F ZINC000088163776 525298355 /nfs/dbraw/zinc/29/83/55/525298355.db2.gz FNAPKJKFRZZSDC-AVOUXACISA-N 1 3 276.399 3.492 20 0 CGADHO COc1ccc2cc(CN3CC[C@@H](C)[C@H](C[NH3+])C3)ccc2c1 ZINC000262552128 525627947 /nfs/dbraw/zinc/62/79/47/525627947.db2.gz SQEDIRJUPZNRHY-RDTXWAMCSA-N 1 3 298.430 3.265 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000358356106 526286342 /nfs/dbraw/zinc/28/63/42/526286342.db2.gz OEBAKEJIQMICRS-QGZVFWFLSA-N 1 3 287.451 3.385 20 0 CGADHO Fc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157460244 526382461 /nfs/dbraw/zinc/38/24/61/526382461.db2.gz GYZKVPHBPZQVPS-ZLGJRNTRSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157460244 526382469 /nfs/dbraw/zinc/38/24/69/526382469.db2.gz GYZKVPHBPZQVPS-ZLGJRNTRSA-N 1 3 288.410 3.288 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157441267 527419672 /nfs/dbraw/zinc/41/96/72/527419672.db2.gz AFGQZVQPTVZUOP-DLBZAZTESA-N 1 3 288.341 3.242 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157441267 527419677 /nfs/dbraw/zinc/41/96/77/527419677.db2.gz AFGQZVQPTVZUOP-DLBZAZTESA-N 1 3 288.341 3.242 20 0 CGADHO C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393553 527477677 /nfs/dbraw/zinc/47/76/77/527477677.db2.gz JXDGIOGPQNOIBJ-MSOLQXFVSA-N 1 3 294.483 3.047 20 0 CGADHO C(CN1CCCCC1)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411875624 527480996 /nfs/dbraw/zinc/48/09/96/527480996.db2.gz OEIPFGOSAYPEDR-UHFFFAOYSA-N 1 3 282.497 3.224 20 0 CGADHO C(CN1CCCCC1)C[N@H+]1CCSC2(CCC2)CC1 ZINC000411875624 527481001 /nfs/dbraw/zinc/48/10/01/527481001.db2.gz OEIPFGOSAYPEDR-UHFFFAOYSA-N 1 3 282.497 3.224 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC(C)(C)O)CC1 ZINC000449256335 527647091 /nfs/dbraw/zinc/64/70/91/527647091.db2.gz ICGWORCJLPRZQX-UHFFFAOYSA-N 1 3 298.515 3.416 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000423407611 527831743 /nfs/dbraw/zinc/83/17/43/527831743.db2.gz WDNGJXPIBHOGHI-FZKCQIBNSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423532753 527844549 /nfs/dbraw/zinc/84/45/49/527844549.db2.gz RUSBGCYAJMYZTK-BHYGNILZSA-N 1 3 260.425 3.156 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000367127854 527850556 /nfs/dbraw/zinc/85/05/56/527850556.db2.gz VSTSYQGHGCKNLO-ULQDDVLXSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423341969 528207413 /nfs/dbraw/zinc/20/74/13/528207413.db2.gz YOXWUQANPZQNGH-ZDUSSCGKSA-N 1 3 262.397 3.006 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(OC)cc1 ZINC000423365411 528237269 /nfs/dbraw/zinc/23/72/69/528237269.db2.gz BPXVLIPXFCNMDW-UNEWFSDZSA-N 1 3 276.424 3.267 20 0 CGADHO CC(C)c1nc([C@@H](C)NCCC[C@H]2CCC[NH2+]2)cs1 ZINC000423483017 528301627 /nfs/dbraw/zinc/30/16/27/528301627.db2.gz PNHMBZYTPFXRDN-OLZOCXBDSA-N 1 3 281.469 3.449 20 0 CGADHO CCN[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423386977 528420312 /nfs/dbraw/zinc/42/03/12/528420312.db2.gz SFTKEZFLVREWRE-UPJWGTAASA-N 1 3 291.464 3.376 20 0 CGADHO CCN[C@H](C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000423379131 528421665 /nfs/dbraw/zinc/42/16/65/528421665.db2.gz LRFMWEPDACCJRG-KGLIPLIRSA-N 1 3 256.393 3.488 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271362 528536383 /nfs/dbraw/zinc/53/63/83/528536383.db2.gz IZZLEWZLYYRBIA-GJZGRUSLSA-N 1 3 266.816 3.364 20 0 CGADHO CC(C)[C@@H](NCC[C@H](C)[NH3+])c1cc2ccccc2o1 ZINC000423225806 528587753 /nfs/dbraw/zinc/58/77/53/528587753.db2.gz OIBUSGJTUCTZTO-BLLLJJGKSA-N 1 3 260.381 3.457 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423373476 528726351 /nfs/dbraw/zinc/72/63/51/528726351.db2.gz HMVOBYXPMVBBTN-BPUTZDHNSA-N 1 3 276.424 3.396 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423287428 528951803 /nfs/dbraw/zinc/95/18/03/528951803.db2.gz MFQQDEBDHQADRN-GDBMZVCRSA-N 1 3 275.440 3.215 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(F)c(C)c2)CC1 ZINC000449373635 528988991 /nfs/dbraw/zinc/98/89/91/528988991.db2.gz SVRFTJIJUVRHCM-CYBMUJFWSA-N 1 3 264.388 3.269 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H](C)C[C@H](C)N)Cc1ccccc1 ZINC000423076581 529016515 /nfs/dbraw/zinc/01/65/15/529016515.db2.gz ZIKLGIWJYHGHBR-UXLLHSPISA-N 1 3 262.441 3.217 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)NCC1([NH3+])CCC1 ZINC000423315872 529028932 /nfs/dbraw/zinc/02/89/32/529028932.db2.gz BEGIWXURNDLPPE-HNNXBMFYSA-N 1 3 278.465 3.274 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423277101 529071123 /nfs/dbraw/zinc/07/11/23/529071123.db2.gz PEGGNCKDPJLPFY-GDBMZVCRSA-N 1 3 271.408 3.118 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423277104 529071830 /nfs/dbraw/zinc/07/18/30/529071830.db2.gz PEGGNCKDPJLPFY-ZBFHGGJFSA-N 1 3 271.408 3.118 20 0 CGADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423228554 529168262 /nfs/dbraw/zinc/16/82/62/529168262.db2.gz DASLWWYAUMXUAK-GXFFZTMASA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(Cl)c1 ZINC000423313566 529173104 /nfs/dbraw/zinc/17/31/04/529173104.db2.gz FWBVNNLQPCOFHQ-ZIAGYGMSSA-N 1 3 252.789 3.118 20 0 CGADHO CC[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCC1 ZINC000449105533 529186908 /nfs/dbraw/zinc/18/69/08/529186908.db2.gz IRLQZSAVYPQJCK-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)O[C@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1(C)C ZINC000477915030 534926458 /nfs/dbraw/zinc/92/64/58/534926458.db2.gz HLJSFSLLMRKZOS-CVEARBPZSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)O[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000477915030 534926464 /nfs/dbraw/zinc/92/64/64/534926464.db2.gz HLJSFSLLMRKZOS-CVEARBPZSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000517446733 535177092 /nfs/dbraw/zinc/17/70/92/535177092.db2.gz PHGNBAHZLSWJOB-MRXNPFEDSA-N 1 3 286.463 3.111 20 0 CGADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCCCC[C@H]2N)C1 ZINC000422904561 535819842 /nfs/dbraw/zinc/81/98/42/535819842.db2.gz GYIAKBVZBJMRQN-BRWVUGGUSA-N 1 3 295.515 3.137 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Cl)cc2F)C1 ZINC000459772267 536384260 /nfs/dbraw/zinc/38/42/60/536384260.db2.gz IIQWDXCELFTCSW-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000250701773 571692397 /nfs/dbraw/zinc/69/23/97/571692397.db2.gz ODTPGDWUQNWNBB-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000250701773 571692401 /nfs/dbraw/zinc/69/24/01/571692401.db2.gz ODTPGDWUQNWNBB-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1ncc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)s1 ZINC000183950325 572350427 /nfs/dbraw/zinc/35/04/27/572350427.db2.gz DIZLTOLAQOWFGA-GFCCVEGCSA-N 1 3 281.469 3.224 20 0 CGADHO C[NH+]1CCC(NCc2csc3ccccc23)CC1 ZINC000049943326 618031178 /nfs/dbraw/zinc/03/11/78/618031178.db2.gz KQEPRJVECOBKGT-UHFFFAOYSA-N 1 3 260.406 3.085 20 0 CGADHO Cc1noc(C)c1[C@@H](C)NCCCCC[NH+]1CCCC1 ZINC000926487156 618709146 /nfs/dbraw/zinc/70/91/46/618709146.db2.gz MGPMWFYJUBCVDV-CYBMUJFWSA-N 1 3 279.428 3.208 20 0 CGADHO C1CCC([C@@H]2CNCC[C@@H]2[NH2+]C2CCCCC2)C1 ZINC000925501546 618989218 /nfs/dbraw/zinc/98/92/18/618989218.db2.gz IMPALASZCZVLCQ-HOTGVXAUSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@@H]2C[C@@H](N)C23CCC3)cc1 ZINC000925516486 619010205 /nfs/dbraw/zinc/01/02/05/619010205.db2.gz UZJSJXLFYHZROC-HZPDHXFCSA-N 1 3 290.476 3.088 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925516486 619010210 /nfs/dbraw/zinc/01/02/10/619010210.db2.gz UZJSJXLFYHZROC-HZPDHXFCSA-N 1 3 290.476 3.088 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1(C2CC2)CCC1 ZINC000925624206 619095009 /nfs/dbraw/zinc/09/50/09/619095009.db2.gz WQZPWGPEEGUWHO-IAGOWNOFSA-N 1 3 276.468 3.325 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC2CC(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925663698 619118072 /nfs/dbraw/zinc/11/80/72/619118072.db2.gz WXRJRXVTSNWHJK-DISOXQEGSA-N 1 3 290.838 3.446 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2(CC3CC3)CC2)c2ccccc21 ZINC000925733338 619207732 /nfs/dbraw/zinc/20/77/32/619207732.db2.gz GZVDXUPQUFJMIQ-HZPDHXFCSA-N 1 3 256.393 3.301 20 0 CGADHO CC1(C)[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@@H]2CCCN[C@@H]21 ZINC000925736305 619210616 /nfs/dbraw/zinc/21/06/16/619210616.db2.gz LSKNLGAXOCPXQB-YIYPIFLZSA-N 1 3 286.410 3.178 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1C ZINC000925777249 619240388 /nfs/dbraw/zinc/24/03/88/619240388.db2.gz CVCLXYNNOBPSBH-UKRRQHHQSA-N 1 3 282.378 3.199 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925778525 619241305 /nfs/dbraw/zinc/24/13/05/619241305.db2.gz JUVJPUFGVFBQNL-BDAKNGLRSA-N 1 3 294.798 3.297 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094371276 619244911 /nfs/dbraw/zinc/24/49/11/619244911.db2.gz ZLNQVYMZLBMNPJ-IAGOWNOFSA-N 1 3 294.483 3.188 20 0 CGADHO CCc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000261566343 619289408 /nfs/dbraw/zinc/28/94/08/619289408.db2.gz GSIMOGOIXNDSOR-BZUAXINKSA-N 1 3 278.465 3.321 20 0 CGADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000924958699 619461874 /nfs/dbraw/zinc/46/18/74/619461874.db2.gz GIVHWVLKVAJIBC-BRWVUGGUSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CC[C@H](C)N(C)C ZINC000895296558 619799460 /nfs/dbraw/zinc/79/94/60/619799460.db2.gz OZSYCUDURKDGED-KBPBESRZSA-N 1 3 266.404 3.077 20 0 CGADHO CCNc1ccccc1CNCc1cccc(C[NH+](C)C)c1 ZINC000902049541 621117239 /nfs/dbraw/zinc/11/72/39/621117239.db2.gz NXZJNHZYNSCUDX-UHFFFAOYSA-N 1 3 297.446 3.470 20 0 CGADHO C/C=C/CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902398468 621304952 /nfs/dbraw/zinc/30/49/52/621304952.db2.gz PWTZXPCMCCPGCY-FAAWYNLUSA-N 1 3 268.351 3.301 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+]C3CCNCC3)CC2)cc1 ZINC000902452582 621330651 /nfs/dbraw/zinc/33/06/51/621330651.db2.gz LNWJJLYYJKJACB-SJORKVTESA-N 1 3 272.436 3.445 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCSC(C)(C)C2)[C@@H]2CCCN[C@@H]21 ZINC000902452202 621331177 /nfs/dbraw/zinc/33/11/77/621331177.db2.gz KHQRKHFGRMGZIR-RFQIPJPRSA-N 1 3 282.497 3.027 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+]C3CCNCC3)CC2)cc1 ZINC000902452580 621331434 /nfs/dbraw/zinc/33/14/34/621331434.db2.gz LNWJJLYYJKJACB-IAGOWNOFSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(C)C(C)(C)C1(C)C ZINC000902515992 621359075 /nfs/dbraw/zinc/35/90/75/621359075.db2.gz BCELURHIQJLMGJ-LBPRGKRZSA-N 1 3 275.440 3.324 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902736516 621420015 /nfs/dbraw/zinc/42/00/15/621420015.db2.gz UFEDGVONOVORHJ-ROUUACIJSA-N 1 3 296.499 3.292 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H](C1CC1)C1CCC1)c1cccnc1 ZINC000903379885 621723165 /nfs/dbraw/zinc/72/31/65/621723165.db2.gz ZXSWEHZOLGDAAT-MSOLQXFVSA-N 1 3 287.451 3.243 20 0 CGADHO Cc1ccccc1[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000903459339 621752110 /nfs/dbraw/zinc/75/21/10/621752110.db2.gz SZXRPLFEYFWNSY-HLLBOEOZSA-N 1 3 260.425 3.137 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903452314 621761168 /nfs/dbraw/zinc/76/11/68/621761168.db2.gz LABMURXQSLSBIN-BZUAXINKSA-N 1 3 294.389 3.239 20 0 CGADHO Cc1cccc([C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)C(C)C)c1 ZINC000903473907 621763517 /nfs/dbraw/zinc/76/35/17/621763517.db2.gz BUHHTSQTSVBUCS-PVAVHDDUSA-N 1 3 260.425 3.137 20 0 CGADHO c1cc2ccc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)cc2[nH]1 ZINC000903481504 621765270 /nfs/dbraw/zinc/76/52/70/621765270.db2.gz DVNOJYDWPIZXLQ-SFHVURJKSA-N 1 3 283.419 3.134 20 0 CGADHO CC[C@@H](NC[C@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000903760235 621802435 /nfs/dbraw/zinc/80/24/35/621802435.db2.gz WITYPQKFCPCNSH-WMLDXEAASA-N 1 3 276.424 3.126 20 0 CGADHO NC[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856166 621821163 /nfs/dbraw/zinc/82/11/63/621821163.db2.gz QRLKQTLCDZODSH-JSGCOSHPSA-N 1 3 284.325 3.019 20 0 CGADHO NC[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856166 621821165 /nfs/dbraw/zinc/82/11/65/621821165.db2.gz QRLKQTLCDZODSH-JSGCOSHPSA-N 1 3 284.325 3.019 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H](N)CC(F)F)c1 ZINC000903899929 621830046 /nfs/dbraw/zinc/83/00/46/621830046.db2.gz YURONOCZNFUUEU-ZFWWWQNUSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H](N)CC(F)F)c1 ZINC000903899929 621830047 /nfs/dbraw/zinc/83/00/47/621830047.db2.gz YURONOCZNFUUEU-ZFWWWQNUSA-N 1 3 282.378 3.423 20 0 CGADHO CCCN(Cc1c(F)cccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310075 621903338 /nfs/dbraw/zinc/90/33/38/621903338.db2.gz VTUHWSVVPMRJOG-TXEJJXNPSA-N 1 3 284.806 3.428 20 0 CGADHO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000152894121 623732915 /nfs/dbraw/zinc/73/29/15/623732915.db2.gz PDAVFZKFHDPKJR-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000152894121 623732923 /nfs/dbraw/zinc/73/29/23/623732923.db2.gz PDAVFZKFHDPKJR-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO CCN(CC)Cc1cc([C@H](C)[NH2+]C2CC2)ccc1OC ZINC000182180720 624949537 /nfs/dbraw/zinc/94/95/37/624949537.db2.gz HNAWKENVJFRHMC-ZDUSSCGKSA-N 1 3 276.424 3.350 20 0 CGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]C2CC2)ccc1OC ZINC000182180701 624949486 /nfs/dbraw/zinc/94/94/86/624949486.db2.gz HNAWKENVJFRHMC-CYBMUJFWSA-N 1 3 276.424 3.350 20 0 CGADHO Fc1ccc2c(c1)CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923373767 626149190 /nfs/dbraw/zinc/14/91/90/626149190.db2.gz RDEOOEBOXOXSND-CNUNBNKRSA-N 1 3 288.410 3.105 20 0 CGADHO COc1cc(C)c([C@@H](C)N[C@H](C)CC[NH+](C)C)cc1C ZINC000753644672 626460886 /nfs/dbraw/zinc/46/08/86/626460886.db2.gz WCBZTGGJTKVOCS-HUUCEWRRSA-N 1 3 278.440 3.303 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622072 628114858 /nfs/dbraw/zinc/11/48/58/628114858.db2.gz PHYJCEDERZHXBE-ZIAGYGMSSA-N 1 3 271.408 3.160 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622072 628114864 /nfs/dbraw/zinc/11/48/64/628114864.db2.gz PHYJCEDERZHXBE-ZIAGYGMSSA-N 1 3 271.408 3.160 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292931 628479833 /nfs/dbraw/zinc/47/98/33/628479833.db2.gz OJFWNXMSOVUHGD-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292931 628479836 /nfs/dbraw/zinc/47/98/36/628479836.db2.gz OJFWNXMSOVUHGD-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292931 628479837 /nfs/dbraw/zinc/47/98/37/628479837.db2.gz OJFWNXMSOVUHGD-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292931 628479840 /nfs/dbraw/zinc/47/98/40/628479840.db2.gz OJFWNXMSOVUHGD-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790047653 629179605 /nfs/dbraw/zinc/17/96/05/629179605.db2.gz ANXNEISTSJZVQI-SJLPKXTDSA-N 1 3 286.463 3.426 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817908607 632234091 /nfs/dbraw/zinc/23/40/91/632234091.db2.gz SYNIVQZSPJZVJV-CGTJXYLNSA-N 1 3 272.436 3.314 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817923930 632234913 /nfs/dbraw/zinc/23/49/13/632234913.db2.gz DHLRQEMDTLOJFA-KHYOSLBOSA-N 1 3 298.430 3.102 20 0 CGADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000817932361 632235998 /nfs/dbraw/zinc/23/59/98/632235998.db2.gz VWGWCIUMAQTDOF-IPMKNSEASA-N 1 3 296.414 3.071 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)nc1 ZINC000817949511 632245732 /nfs/dbraw/zinc/24/57/32/632245732.db2.gz QQPYEKGURGTQQR-GFCCVEGCSA-N 1 3 289.810 3.087 20 0 CGADHO C[C@H](CCc1cccnc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000866218026 633032788 /nfs/dbraw/zinc/03/27/88/633032788.db2.gz KLKMPIYDEBKDGS-IAGOWNOFSA-N 1 3 289.467 3.257 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3c(F)cccc32)C1 ZINC000866262848 633050108 /nfs/dbraw/zinc/05/01/08/633050108.db2.gz HKAJPKLJSQTWPX-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3c(F)cccc32)C1 ZINC000866262848 633050113 /nfs/dbraw/zinc/05/01/13/633050113.db2.gz HKAJPKLJSQTWPX-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C)CN(C)C ZINC000866365988 633103456 /nfs/dbraw/zinc/10/34/56/633103456.db2.gz WJERGLYDROVZKR-JKSUJKDBSA-N 1 3 299.462 3.343 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584190 633202444 /nfs/dbraw/zinc/20/24/44/633202444.db2.gz NKAMVIPLOOHGCZ-YQQAZPJKSA-N 1 3 258.409 3.082 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584190 633202445 /nfs/dbraw/zinc/20/24/45/633202445.db2.gz NKAMVIPLOOHGCZ-YQQAZPJKSA-N 1 3 258.409 3.082 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584155 633202519 /nfs/dbraw/zinc/20/25/19/633202519.db2.gz NAYCBOTYGTZYQY-BBWFWOEESA-N 1 3 258.409 3.164 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584155 633202522 /nfs/dbraw/zinc/20/25/22/633202522.db2.gz NAYCBOTYGTZYQY-BBWFWOEESA-N 1 3 258.409 3.164 20 0 CGADHO CN(CCCCCC[NH3+])Cc1ncccc1C(F)(F)F ZINC000872155182 634066041 /nfs/dbraw/zinc/06/60/41/634066041.db2.gz GDOOGSXYBZXPIF-UHFFFAOYSA-N 1 3 289.345 3.051 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)C(C)(F)F ZINC000873249986 634301726 /nfs/dbraw/zinc/30/17/26/634301726.db2.gz DRYRPFMLYKBEQS-TZMCWYRMSA-N 1 3 284.394 3.216 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H](C)C2CC[NH2+]CC2)cs1 ZINC000873270852 634313984 /nfs/dbraw/zinc/31/39/84/634313984.db2.gz BMZBMNGLQVNJDB-RYUDHWBXSA-N 1 3 281.469 3.305 20 0 CGADHO CSC(C)(C)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000876769807 634896700 /nfs/dbraw/zinc/89/67/00/634896700.db2.gz AEPVZUMUSNVHKT-HNNXBMFYSA-N 1 3 284.513 3.326 20 0 CGADHO CSC(C)(C)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000876769807 634896703 /nfs/dbraw/zinc/89/67/03/634896703.db2.gz AEPVZUMUSNVHKT-HNNXBMFYSA-N 1 3 284.513 3.326 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(SC(F)(F)F)cc1 ZINC000841050455 635114166 /nfs/dbraw/zinc/11/41/66/635114166.db2.gz FTFSFFCEEJFLGZ-VIFPVBQESA-N 1 3 278.343 3.125 20 0 CGADHO CCCN(Cc1cncc2ccccc21)C1CC[NH2+]CC1 ZINC000843045415 635549420 /nfs/dbraw/zinc/54/94/20/635549420.db2.gz XDSMZPPMCGUFPN-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO C[NH2+]CCCN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000843359078 635654031 /nfs/dbraw/zinc/65/40/31/635654031.db2.gz GSDXTYJZDADWJU-GJZGRUSLSA-N 1 3 296.480 3.026 20 0 CGADHO CN1CC[C@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879573473 635813777 /nfs/dbraw/zinc/81/37/77/635813777.db2.gz OPHCYQFFTPKKQO-PMACEKPBSA-N 1 3 294.442 3.408 20 0 CGADHO CN1CC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879573473 635813780 /nfs/dbraw/zinc/81/37/80/635813780.db2.gz OPHCYQFFTPKKQO-PMACEKPBSA-N 1 3 294.442 3.408 20 0 CGADHO CCc1cnc(CN(CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000879704307 635838989 /nfs/dbraw/zinc/83/89/89/635838989.db2.gz OEEFYJSUBABXMH-UHFFFAOYSA-N 1 3 293.455 3.037 20 0 CGADHO C[C@H]1CN(C[C@@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258792 635959287 /nfs/dbraw/zinc/95/92/87/635959287.db2.gz JLXOLGNAZLJGLG-UONOGXRCSA-N 1 3 295.377 3.028 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844924408 635985875 /nfs/dbraw/zinc/98/58/75/635985875.db2.gz LIXAJJBZWWLWIP-QJPTWQEYSA-N 1 3 279.255 3.068 20 0 CGADHO C[C@H]1c2sccc2CC[N@H+]1CC[C@@H]1CCCN1C ZINC000880377155 635987900 /nfs/dbraw/zinc/98/79/00/635987900.db2.gz PQPISEJTUUXINJ-JSGCOSHPSA-N 1 3 264.438 3.152 20 0 CGADHO C[C@H]1c2sccc2CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000880377155 635987904 /nfs/dbraw/zinc/98/79/04/635987904.db2.gz PQPISEJTUUXINJ-JSGCOSHPSA-N 1 3 264.438 3.152 20 0 CGADHO C[C@@H]1c2sccc2CC[N@H+]1CC[C@@H]1CCCN1C ZINC000880377156 635988163 /nfs/dbraw/zinc/98/81/63/635988163.db2.gz PQPISEJTUUXINJ-OCCSQVGLSA-N 1 3 264.438 3.152 20 0 CGADHO C[C@@H]1c2sccc2CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000880377156 635988165 /nfs/dbraw/zinc/98/81/65/635988165.db2.gz PQPISEJTUUXINJ-OCCSQVGLSA-N 1 3 264.438 3.152 20 0 CGADHO [NH3+]CCCCCCN(Cc1ccccc1F)C1CC1 ZINC000846218051 636161051 /nfs/dbraw/zinc/16/10/51/636161051.db2.gz RRQNAMXKYUCZNA-UHFFFAOYSA-N 1 3 264.388 3.309 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000883254851 636625878 /nfs/dbraw/zinc/62/58/78/636625878.db2.gz DWIWYLQEPGOZOB-UHFFFAOYSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000848912121 636687859 /nfs/dbraw/zinc/68/78/59/636687859.db2.gz BGIHFFWXJOJCNZ-GOSISDBHSA-N 1 3 272.436 3.338 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000848912121 636687860 /nfs/dbraw/zinc/68/78/60/636687860.db2.gz BGIHFFWXJOJCNZ-GOSISDBHSA-N 1 3 272.436 3.338 20 0 CGADHO CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)N2CCCC2)c1 ZINC000848986654 636705225 /nfs/dbraw/zinc/70/52/25/636705225.db2.gz QEOVLSPMHOSGRU-AWEZNQCLSA-N 1 3 288.439 3.231 20 0 CGADHO CN(CC[C@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424241 636751929 /nfs/dbraw/zinc/75/19/29/636751929.db2.gz LOWZWFGFJKBOFL-HABKJSAYSA-N 1 3 272.383 3.027 20 0 CGADHO C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)[C@@H]1CCN ZINC000883434850 636754884 /nfs/dbraw/zinc/75/48/84/636754884.db2.gz CKNUIOBHYSDEQI-HZSPNIEDSA-N 1 3 274.399 3.261 20 0 CGADHO C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)[C@@H]1CCN ZINC000883434850 636754891 /nfs/dbraw/zinc/75/48/91/636754891.db2.gz CKNUIOBHYSDEQI-HZSPNIEDSA-N 1 3 274.399 3.261 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439372 636756432 /nfs/dbraw/zinc/75/64/32/636756432.db2.gz PUYZQVCBMWVXSL-DOTOQJQBSA-N 1 3 294.483 3.175 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439372 636756444 /nfs/dbraw/zinc/75/64/44/636756444.db2.gz PUYZQVCBMWVXSL-DOTOQJQBSA-N 1 3 294.483 3.175 20 0 CGADHO Fc1cccc(/C=C\C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000885924081 637314725 /nfs/dbraw/zinc/31/47/25/637314725.db2.gz GVGNYVFUICBTAC-LYYDLTQRSA-N 1 3 274.383 3.055 20 0 CGADHO c1cc(N2CCC[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CC2)ccn1 ZINC000886263570 637470817 /nfs/dbraw/zinc/47/08/17/637470817.db2.gz ADWANWLVJLFIAE-AEFFLSMTSA-N 1 3 285.435 3.030 20 0 CGADHO c1cc(N2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)CC2)ccn1 ZINC000886263570 637470824 /nfs/dbraw/zinc/47/08/24/637470824.db2.gz ADWANWLVJLFIAE-AEFFLSMTSA-N 1 3 285.435 3.030 20 0 CGADHO Cc1noc(C)c1[C@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000924682538 638386961 /nfs/dbraw/zinc/38/69/61/638386961.db2.gz WPGVLFDKBLKKOX-AWEZNQCLSA-N 1 3 293.455 3.454 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccns1 ZINC000924684751 638388439 /nfs/dbraw/zinc/38/84/39/638388439.db2.gz FPBMVCPRMKLBOG-ZIAGYGMSSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccns1 ZINC000924684751 638388448 /nfs/dbraw/zinc/38/84/48/638388448.db2.gz FPBMVCPRMKLBOG-ZIAGYGMSSA-N 1 3 281.469 3.306 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCOC2CCCC2)CC1 ZINC000924843382 638412496 /nfs/dbraw/zinc/41/24/96/638412496.db2.gz ZOEHEKGIUHXHCR-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO Fc1cccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925521796 638518075 /nfs/dbraw/zinc/51/80/75/638518075.db2.gz WPXPFIBGYOWEQT-MSOLQXFVSA-N 1 3 290.426 3.126 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2(c3ccc(F)cc3)CCC2)C12CCC2 ZINC000925547451 638524810 /nfs/dbraw/zinc/52/48/10/638524810.db2.gz OENLMUNJCKLHCS-JKSUJKDBSA-N 1 3 288.410 3.107 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccccc3)C1)[NH2+]2 ZINC000925605801 638543513 /nfs/dbraw/zinc/54/35/13/638543513.db2.gz STSPOKBNTAZCNF-XNNFIENISA-N 1 3 270.420 3.051 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C12CCC2 ZINC000925658313 638559471 /nfs/dbraw/zinc/55/94/71/638559471.db2.gz WXRJRXVTSNWHJK-MIGQKNRLSA-N 1 3 290.838 3.446 20 0 CGADHO Cc1cscc1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925659812 638560987 /nfs/dbraw/zinc/56/09/87/638560987.db2.gz NQMSOAWAJCCYLB-QWHCGFSZSA-N 1 3 252.427 3.052 20 0 CGADHO Cc1cc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)ccc1Cl ZINC000925674874 638565713 /nfs/dbraw/zinc/56/57/13/638565713.db2.gz DHNCUWZIBZZDRV-GJZGRUSLSA-N 1 3 278.827 3.050 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C[C@H]2C[C@H]2C1 ZINC000925719325 638578603 /nfs/dbraw/zinc/57/86/03/638578603.db2.gz REIAYWMHBMEAMV-IGKNDFSCSA-N 1 3 276.468 3.181 20 0 CGADHO CCC[C@H](C)CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000925735288 638589898 /nfs/dbraw/zinc/58/98/98/638589898.db2.gz YJYWEQGBJOLWAG-STQMWFEESA-N 1 3 263.429 3.326 20 0 CGADHO C[C@H]1CC[C@@H](NCCC(C)(C)[NH3+])c2sccc21 ZINC000925738653 638591170 /nfs/dbraw/zinc/59/11/70/638591170.db2.gz RVBIDFKFYLSSSL-CMPLNLGQSA-N 1 3 252.427 3.404 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000925882328 638641909 /nfs/dbraw/zinc/64/19/09/638641909.db2.gz KUKTVIBZLLWIQV-FDQGKXFDSA-N 1 3 299.393 3.027 20 0 CGADHO CC[C@@H](C[C@](C)(O)CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276692 638758781 /nfs/dbraw/zinc/75/87/81/638758781.db2.gz ZOHYVVFEZHGLTH-DOTOQJQBSA-N 1 3 284.488 3.028 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000926737914 638805510 /nfs/dbraw/zinc/80/55/10/638805510.db2.gz HNKWCFFTXLWMOW-HDEZJCGLSA-N 1 3 264.457 3.133 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000926752568 638806820 /nfs/dbraw/zinc/80/68/20/638806820.db2.gz AUJDALBOXCAJCB-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000926903014 638823345 /nfs/dbraw/zinc/82/33/45/638823345.db2.gz CYAQHXXCEKLBDE-DZKIICNBSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000926903014 638823346 /nfs/dbraw/zinc/82/33/46/638823346.db2.gz CYAQHXXCEKLBDE-DZKIICNBSA-N 1 3 276.424 3.137 20 0 CGADHO CCc1onc(C)c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000930145118 638977651 /nfs/dbraw/zinc/97/76/51/638977651.db2.gz IBJAHRHHTHTWIF-UHFFFAOYSA-N 1 3 293.455 3.099 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000932560359 639353927 /nfs/dbraw/zinc/35/39/27/639353927.db2.gz IBSLOSUGZRHOQR-HIFRSBDPSA-N 1 3 264.388 3.269 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cc2ccccc2o1 ZINC000251423470 640826543 /nfs/dbraw/zinc/82/65/43/640826543.db2.gz HPMGKAXHIHRBCI-FPMFFAJLSA-N 1 3 258.365 3.211 20 0 CGADHO [NH3+]Cc1ccccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001159732967 806164009 /nfs/dbraw/zinc/16/40/09/806164009.db2.gz HRGIXLAFYNVLCL-UHFFFAOYSA-N 1 3 293.414 3.347 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC001254434088 806397524 /nfs/dbraw/zinc/39/75/24/806397524.db2.gz VJXWZKZBPRVTQJ-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO CC[C@@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC001254507240 806426735 /nfs/dbraw/zinc/42/67/35/806426735.db2.gz KLWBGIHFQIZMNN-JKSUJKDBSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507240 806426739 /nfs/dbraw/zinc/42/67/39/806426739.db2.gz KLWBGIHFQIZMNN-JKSUJKDBSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC001254507239 806428684 /nfs/dbraw/zinc/42/86/84/806428684.db2.gz KLWBGIHFQIZMNN-HZPDHXFCSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507239 806428691 /nfs/dbraw/zinc/42/86/91/806428691.db2.gz KLWBGIHFQIZMNN-HZPDHXFCSA-N 1 3 264.388 3.351 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522809 806437912 /nfs/dbraw/zinc/43/79/12/806437912.db2.gz JOMKLTCTLFJXJF-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522809 806437915 /nfs/dbraw/zinc/43/79/15/806437915.db2.gz JOMKLTCTLFJXJF-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO C[C@@]1([NH3+])C[C@H](Nc2nc(N3CCCC3)cc3ccccc32)C1 ZINC001162328402 806555560 /nfs/dbraw/zinc/55/55/60/806555560.db2.gz AYUWMZCNBBCNOD-UJKQEGAGSA-N 1 3 296.418 3.127 20 0 CGADHO CCCC[NH+](CCCC)CCCN[C@H]1CCSC1 ZINC001255269530 806587683 /nfs/dbraw/zinc/58/76/83/806587683.db2.gz LQPKDNWMHBIXJN-HNNXBMFYSA-N 1 3 272.502 3.374 20 0 CGADHO CCCC[C@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001255328483 806615273 /nfs/dbraw/zinc/61/52/73/806615273.db2.gz BMWKENPZDCNCHS-AWEZNQCLSA-N 1 3 270.436 3.463 20 0 CGADHO c1ccc(CN2CCC[C@@H]([NH+]3CC4CC(C4)C3)CC2)cc1 ZINC001255409006 806635434 /nfs/dbraw/zinc/63/54/34/806635434.db2.gz RXZDNHXRMBVOQO-CTWPCTMYSA-N 1 3 284.447 3.383 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000037786585 798874818 /nfs/dbraw/zinc/87/48/18/798874818.db2.gz CYYHMQUAOYHMMZ-CQSZACIVSA-N 1 3 250.430 3.195 20 0 CGADHO Cc1cc(F)cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001255667781 806700224 /nfs/dbraw/zinc/70/02/24/806700224.db2.gz SMUJREOPDCOYIP-ALOPSCKCSA-N 1 3 276.399 3.239 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000401475531 799555871 /nfs/dbraw/zinc/55/58/71/799555871.db2.gz LGLCJHDOXMGOFE-XHSDSOJGSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC000687969381 799743147 /nfs/dbraw/zinc/74/31/47/799743147.db2.gz SSKAPWNLIMAMBJ-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC000687969381 799743152 /nfs/dbraw/zinc/74/31/52/799743152.db2.gz SSKAPWNLIMAMBJ-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879492 806780599 /nfs/dbraw/zinc/78/05/99/806780599.db2.gz GEIYQMJPFPARIX-BHYGNILZSA-N 1 3 290.426 3.030 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879492 806780602 /nfs/dbraw/zinc/78/06/02/806780602.db2.gz GEIYQMJPFPARIX-BHYGNILZSA-N 1 3 290.426 3.030 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](CO)CC1CCCCC1 ZINC001255946849 806792456 /nfs/dbraw/zinc/79/24/56/806792456.db2.gz JVTNCQIZUBYYQZ-RDJZCZTQSA-N 1 3 284.488 3.028 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H](CO)CC1CCCCC1 ZINC001255946849 806792461 /nfs/dbraw/zinc/79/24/61/806792461.db2.gz JVTNCQIZUBYYQZ-RDJZCZTQSA-N 1 3 284.488 3.028 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC001255946332 806792475 /nfs/dbraw/zinc/79/24/75/806792475.db2.gz SKFPGDRSAJLFBJ-LBPRGKRZSA-N 1 3 262.388 3.132 20 0 CGADHO CC1(C[N@@H+]2CC[C@]3(C2)CCCNC3)CCCCC1 ZINC000709889655 800021695 /nfs/dbraw/zinc/02/16/95/800021695.db2.gz CVPCLKURPHXDSL-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO CC1(C[N@H+]2CC[C@]3(C2)CCCNC3)CCCCC1 ZINC000709889655 800021700 /nfs/dbraw/zinc/02/17/00/800021700.db2.gz CVPCLKURPHXDSL-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000723665317 800337189 /nfs/dbraw/zinc/33/71/89/800337189.db2.gz XLZPVTIEELKTAV-YIDVYQOGSA-N 1 3 250.430 3.075 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@H](COC)C(C)C)CC1 ZINC000931464122 800653139 /nfs/dbraw/zinc/65/31/39/800653139.db2.gz IXIHMWKXKWSMMX-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2CCC3(COC3)CC2)CC1 ZINC001256562645 806916719 /nfs/dbraw/zinc/91/67/19/806916719.db2.gz ZVYISVWSLLWHOX-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ncccc1C ZINC001256614822 806926452 /nfs/dbraw/zinc/92/64/52/806926452.db2.gz JYSJKXKCPZFKLP-UYTSQGDYSA-N 1 3 273.424 3.056 20 0 CGADHO CCC(CC)[N@H+](CC)C1CCC(N2CCOCC2)CC1 ZINC001256695889 806950533 /nfs/dbraw/zinc/95/05/33/806950533.db2.gz RGEFQRVBJVDQGI-UHFFFAOYSA-N 1 3 282.472 3.140 20 0 CGADHO CCC(CC)[N@@H+](CC)C1CCC(N2CCOCC2)CC1 ZINC001256695889 806950538 /nfs/dbraw/zinc/95/05/38/806950538.db2.gz RGEFQRVBJVDQGI-UHFFFAOYSA-N 1 3 282.472 3.140 20 0 CGADHO C[C@H](Cc1ccncc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001256722483 806956932 /nfs/dbraw/zinc/95/69/32/806956932.db2.gz FCUVVYYNDFPESE-CQSZACIVSA-N 1 3 289.467 3.254 20 0 CGADHO C[C@@H](Cc1ccncc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001256718389 806955050 /nfs/dbraw/zinc/95/50/50/806955050.db2.gz IEXPFBIEBKNASF-LPHOPBHVSA-N 1 3 297.446 3.295 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@H]2C1 ZINC001172381569 808275228 /nfs/dbraw/zinc/27/52/28/808275228.db2.gz FHHIHGHIXKNGDR-MZBWOGCUSA-N 1 3 264.457 3.085 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3ccc(Cl)o3)C[C@@H]2C1 ZINC001119988141 802720619 /nfs/dbraw/zinc/72/06/19/802720619.db2.gz FUBNPOGDZKLQMR-RWMBFGLXSA-N 1 3 282.815 3.095 20 0 CGADHO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC001200813182 811748625 /nfs/dbraw/zinc/74/86/25/811748625.db2.gz VIGDJSSZFRHZAM-IAGOWNOFSA-N 1 3 290.451 3.438 20 0 CGADHO CCN(CC)Cc1cc(C2=C[NH2+]CCC2)ccc1F ZINC001243952040 803097529 /nfs/dbraw/zinc/09/75/29/803097529.db2.gz NHBMTSIBLYNXAM-UHFFFAOYSA-N 1 3 262.372 3.392 20 0 CGADHO CN(C)CC1(C[N@@H+]2CCCC[C@@](C)(F)C2)CCCC1 ZINC001208184804 813736152 /nfs/dbraw/zinc/73/61/52/813736152.db2.gz PTOQGYQZXQSLSK-OAHLLOKOSA-N 1 3 270.436 3.323 20 0 CGADHO CN(C)CC1(C[N@H+]2CCCC[C@@](C)(F)C2)CCCC1 ZINC001208184804 813736157 /nfs/dbraw/zinc/73/61/57/813736157.db2.gz PTOQGYQZXQSLSK-OAHLLOKOSA-N 1 3 270.436 3.323 20 0 CGADHO CC(C)n1cc(CN(C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001137077892 803679998 /nfs/dbraw/zinc/67/99/98/803679998.db2.gz NWKPNUNACNBEQP-UHFFFAOYSA-N 1 3 292.471 3.016 20 0 CGADHO CC[NH+](CC)Cc1ccccc1Nc1cnc(C)n1C ZINC001211991944 814964009 /nfs/dbraw/zinc/96/40/09/814964009.db2.gz VZVCRVKUJHRVLB-UHFFFAOYSA-N 1 3 272.396 3.314 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCCCCC2)CCN1 ZINC001246063384 804106915 /nfs/dbraw/zinc/10/69/15/804106915.db2.gz BSKGREAOTYFDFM-HUUCEWRRSA-N 1 3 252.446 3.466 20 0 CGADHO C[NH2+]CCNC1CCC(c2ccc(Cl)cc2)CC1 ZINC001246072779 804110788 /nfs/dbraw/zinc/11/07/88/804110788.db2.gz LVMLZFGJKQBYEZ-UHFFFAOYSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246074443 804112347 /nfs/dbraw/zinc/11/23/47/804112347.db2.gz PFXICQDGRMYNSK-JKSUJKDBSA-N 1 3 278.415 3.125 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246073534 804112900 /nfs/dbraw/zinc/11/29/00/804112900.db2.gz FXYLSBGYBAOYFN-KRWDZBQOSA-N 1 3 290.426 3.413 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@H]1C ZINC001246098139 804130276 /nfs/dbraw/zinc/13/02/76/804130276.db2.gz PHZOHSUTACKZJA-NJAFHUGGSA-N 1 3 274.452 3.231 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+]C[C@]1(O)CCCCNC1 ZINC001246099388 804131223 /nfs/dbraw/zinc/13/12/23/804131223.db2.gz UFNBNBDKMKQYAA-SJORKVTESA-N 1 3 284.488 3.220 20 0 CGADHO C[C@@]1(CN[C@@H]2Cc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107074 804139861 /nfs/dbraw/zinc/13/98/61/804139861.db2.gz YTWRBPCLCNELIU-RHSMWYFYSA-N 1 3 292.854 3.177 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246136643 804160798 /nfs/dbraw/zinc/16/07/98/804160798.db2.gz UXVSTZVWMIPIHX-XHSDSOJGSA-N 1 3 252.446 3.467 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246152092 804171092 /nfs/dbraw/zinc/17/10/92/804171092.db2.gz OHZKLYGCPOTIAU-KSZLIROESA-N 1 3 296.499 3.484 20 0 CGADHO C[NH2+]C1CCC(NCc2c(F)ccc(C)c2Cl)CC1 ZINC001246157199 804174254 /nfs/dbraw/zinc/17/42/54/804174254.db2.gz ABCDGYCXJKEKGM-UHFFFAOYSA-N 1 3 284.806 3.408 20 0 CGADHO CCC(CC)(N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC001246184443 804196829 /nfs/dbraw/zinc/19/68/29/804196829.db2.gz LHSIWTRJHNYJGB-GDBMZVCRSA-N 1 3 260.425 3.432 20 0 CGADHO CCC(CC)([NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC001246184443 804196833 /nfs/dbraw/zinc/19/68/33/804196833.db2.gz LHSIWTRJHNYJGB-GDBMZVCRSA-N 1 3 260.425 3.432 20 0 CGADHO Cc1ccc(CC[C@@H](C)N[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001246191663 804200016 /nfs/dbraw/zinc/20/00/16/804200016.db2.gz WWEAKESLSSFXKV-WBVHZDCISA-N 1 3 260.425 3.048 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246208068 804207467 /nfs/dbraw/zinc/20/74/67/804207467.db2.gz AXNKHSFMPXGMQE-JOSFTKKCSA-N 1 3 298.474 3.401 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC001246213161 804210111 /nfs/dbraw/zinc/21/01/11/804210111.db2.gz ZEMDFGXKHBTJSS-CGTJXYLNSA-N 1 3 274.452 3.376 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@H]2C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246214188 804211520 /nfs/dbraw/zinc/21/15/20/804211520.db2.gz YRZPISIYLUDILM-ILOCAZANSA-N 1 3 272.436 3.441 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCSCc2ccccc2)CC[NH2+]1 ZINC001246231191 804224248 /nfs/dbraw/zinc/22/42/48/804224248.db2.gz SHRDGOLLJUTBBY-SJORKVTESA-N 1 3 292.492 3.286 20 0 CGADHO CC[C@@H]1C[C@@H](NCCCOc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246239489 804231683 /nfs/dbraw/zinc/23/16/83/804231683.db2.gz RROSRAUEULDBSC-BJWYYQGGSA-N 1 3 290.451 3.354 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C[C@H](C)N1 ZINC001246252383 804237498 /nfs/dbraw/zinc/23/74/98/804237498.db2.gz VUWDUHLMJAAJLC-QMIVOQANSA-N 1 3 252.446 3.320 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255815 804240670 /nfs/dbraw/zinc/24/06/70/804240670.db2.gz CNAXNYBBLSFEKF-HZPDHXFCSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H](Cc1ccccc1Br)NCCC(C)(C)[NH3+] ZINC001246272346 804249776 /nfs/dbraw/zinc/24/97/76/804249776.db2.gz KSZSODXEYORXKC-NSHDSACASA-N 1 3 299.256 3.097 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246273759 804250468 /nfs/dbraw/zinc/25/04/68/804250468.db2.gz SIENKWUAVKXZBT-DAXOMENPSA-N 1 3 280.843 3.391 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)CCN1 ZINC001246285090 804258785 /nfs/dbraw/zinc/25/87/85/804258785.db2.gz FZHYXLNSCPGYPV-MCIONIFRSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@H](C)C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246331344 804285526 /nfs/dbraw/zinc/28/55/26/804285526.db2.gz AYYGFNZRSDMMLP-LBDPXKHJSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CCN1 ZINC001246331653 804285542 /nfs/dbraw/zinc/28/55/42/804285542.db2.gz BPRXWWHYEIMPFY-QWHCGFSZSA-N 1 3 286.612 3.230 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CCN1 ZINC001246331642 804285673 /nfs/dbraw/zinc/28/56/73/804285673.db2.gz BPRXWWHYEIMPFY-CHWSQXEVSA-N 1 3 286.612 3.230 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246332409 804287585 /nfs/dbraw/zinc/28/75/85/804287585.db2.gz LBBRCTJQFINSKQ-NDQLQDMOSA-N 1 3 264.457 3.464 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N[C@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246337158 804290901 /nfs/dbraw/zinc/29/09/01/804290901.db2.gz XIJYERYJRODGHY-KKUMJFAQSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1CC([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C[C@@H](C)N1 ZINC001246340374 804292593 /nfs/dbraw/zinc/29/25/93/804292593.db2.gz UGTBRRVAGQSBGV-VXGBXAGGSA-N 1 3 286.612 3.228 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246366053 804306711 /nfs/dbraw/zinc/30/67/11/804306711.db2.gz PUWOJOAVJHMSGJ-OAHLLOKOSA-N 1 3 298.471 3.010 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246364848 804306843 /nfs/dbraw/zinc/30/68/43/804306843.db2.gz MUAYQSFACWFERN-FUHWJXTLSA-N 1 3 285.435 3.077 20 0 CGADHO CC[C@@H](CC(C)C)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246384436 804315584 /nfs/dbraw/zinc/31/55/84/804315584.db2.gz CLWVAGIWYQWROL-HNNXBMFYSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)CCN1 ZINC001246386620 804316284 /nfs/dbraw/zinc/31/62/84/804316284.db2.gz XPVYXMFOPSCXKM-HIFRSBDPSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@@H]1CC([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1 ZINC001246385080 804316888 /nfs/dbraw/zinc/31/68/88/804316888.db2.gz BBCVHLPHCKFNGG-ZIAGYGMSSA-N 1 3 290.426 3.267 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246389821 804317183 /nfs/dbraw/zinc/31/71/83/804317183.db2.gz JSMUOSJULQKDGP-BBRMVZONSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246389821 804317186 /nfs/dbraw/zinc/31/71/86/804317186.db2.gz JSMUOSJULQKDGP-BBRMVZONSA-N 1 3 276.399 3.021 20 0 CGADHO CC[C@@H]1CC[C@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246431996 804329905 /nfs/dbraw/zinc/32/99/05/804329905.db2.gz VDWXTOOYJMJTMS-WBVHZDCISA-N 1 3 272.436 3.434 20 0 CGADHO Fc1cccc(CC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246440106 804333540 /nfs/dbraw/zinc/33/35/40/804333540.db2.gz RMMXPQXDVXDQOV-SJPCQFCGSA-N 1 3 288.410 3.021 20 0 CGADHO C[C@@H]1CC(NC[C@]2(CC3CC3)CCC[NH2+]2)C[C@@H](C)C1 ZINC001246462368 804343540 /nfs/dbraw/zinc/34/35/40/804343540.db2.gz QODNVQVJGOKCJZ-GRDNDAEWSA-N 1 3 264.457 3.323 20 0 CGADHO CCC1CCC(NC[C@]2(CC3CC3)CCC[NH2+]2)CC1 ZINC001246462390 804343853 /nfs/dbraw/zinc/34/38/53/804343853.db2.gz QVGSPVAQOJSPJJ-BDVYOWHSSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246466944 804346016 /nfs/dbraw/zinc/34/60/16/804346016.db2.gz XRSWBYGIOBIFQD-JMSVASOKSA-N 1 3 299.245 3.320 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+][C@H]1CCNCC12CC2 ZINC001246473323 804351494 /nfs/dbraw/zinc/35/14/94/804351494.db2.gz KPYTZMQRILBLFT-CABCVRRESA-N 1 3 252.446 3.467 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001246476568 804352372 /nfs/dbraw/zinc/35/23/72/804352372.db2.gz XSONGMKUBULGFU-NNIGNNQHSA-N 1 3 282.431 3.076 20 0 CGADHO CCCC(C[NH3+])(CCC)N[C@@H](C)CC(F)(F)F ZINC001246498610 804361730 /nfs/dbraw/zinc/36/17/30/804361730.db2.gz WGOUAFOFCJEVDV-JTQLQIEISA-N 1 3 254.340 3.215 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246508125 804367821 /nfs/dbraw/zinc/36/78/21/804367821.db2.gz DHCDNXIWTOHWRI-BBWFWOEESA-N 1 3 292.854 3.173 20 0 CGADHO COc1c(Cl)cccc1CN(C)CC1CC[NH+](C)CC1 ZINC001140067025 804367919 /nfs/dbraw/zinc/36/79/19/804367919.db2.gz BZVGYHDRTQMDEG-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246518882 804370864 /nfs/dbraw/zinc/37/08/64/804370864.db2.gz QBHXXGLJYCCNAY-OALUTQOASA-N 1 3 286.463 3.376 20 0 CGADHO CC(C)C1CCC([NH2+][C@H](C2CCC2)C2CNC2)CC1 ZINC001246517836 804372002 /nfs/dbraw/zinc/37/20/02/804372002.db2.gz NARPJZXCTDABBI-QWFMPGPPSA-N 1 3 264.457 3.179 20 0 CGADHO CC[C@@H]1CC(N(C)CCc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246519435 804374320 /nfs/dbraw/zinc/37/43/20/804374320.db2.gz OAPYRJMFMRQGPG-IAGOWNOFSA-N 1 3 274.452 3.470 20 0 CGADHO C[N@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246530362 804380810 /nfs/dbraw/zinc/38/08/10/804380810.db2.gz LNOJERRDRLYFDM-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO C[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246530362 804380817 /nfs/dbraw/zinc/38/08/17/804380817.db2.gz LNOJERRDRLYFDM-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO C[N@H+](C1CCCCC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246530358 804381161 /nfs/dbraw/zinc/38/11/61/804381161.db2.gz LNOJERRDRLYFDM-CABCVRRESA-N 1 3 252.446 3.418 20 0 CGADHO C[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246530358 804381167 /nfs/dbraw/zinc/38/11/67/804381167.db2.gz LNOJERRDRLYFDM-CABCVRRESA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246554526 804404378 /nfs/dbraw/zinc/40/43/78/804404378.db2.gz VZJGPHFCKHJTGC-MCIONIFRSA-N 1 3 296.455 3.223 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558121 804405917 /nfs/dbraw/zinc/40/59/17/804405917.db2.gz OUDAWLXSNAOQLN-CVEARBPZSA-N 1 3 296.405 3.314 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558121 804405919 /nfs/dbraw/zinc/40/59/19/804405919.db2.gz OUDAWLXSNAOQLN-CVEARBPZSA-N 1 3 296.405 3.314 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246559617 804407464 /nfs/dbraw/zinc/40/74/64/804407464.db2.gz SJOPIYQEUWKIIN-MELADBBJSA-N 1 3 276.415 3.363 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@@H]1C ZINC001246573765 804420558 /nfs/dbraw/zinc/42/05/58/804420558.db2.gz MEFFIAOGBFLVTF-DGADGQDISA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@@H]1C ZINC001246573765 804420563 /nfs/dbraw/zinc/42/05/63/804420563.db2.gz MEFFIAOGBFLVTF-DGADGQDISA-N 1 3 250.430 3.028 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579962 804424675 /nfs/dbraw/zinc/42/46/75/804424675.db2.gz DOQCCFQSEZRVNQ-QAPCUYQASA-N 1 3 274.452 3.241 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579962 804424679 /nfs/dbraw/zinc/42/46/79/804424679.db2.gz DOQCCFQSEZRVNQ-QAPCUYQASA-N 1 3 274.452 3.241 20 0 CGADHO [NH3+]C[C@@H]1CCCCN([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579576 804424776 /nfs/dbraw/zinc/42/47/76/804424776.db2.gz CGCNIZZDTFKIGD-DZGCQCFKSA-N 1 3 292.854 3.258 20 0 CGADHO NC[C@H]1CCCC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582464 804425929 /nfs/dbraw/zinc/42/59/29/804425929.db2.gz MSXCZLUBGCLWKD-DYVFJYSZSA-N 1 3 292.854 3.258 20 0 CGADHO NC[C@H]1CCCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582464 804425932 /nfs/dbraw/zinc/42/59/32/804425932.db2.gz MSXCZLUBGCLWKD-DYVFJYSZSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246583853 804427610 /nfs/dbraw/zinc/42/76/10/804427610.db2.gz SFZXFULSYJYJHU-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO CC(C)[N@H+](C1CCC(C)CC1)[C@H]1CCCNCC1 ZINC001246592575 804433709 /nfs/dbraw/zinc/43/37/09/804433709.db2.gz KOBUNZUGBASNOB-PCKAHOCUSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+](C1CCC(C)CC1)[C@H]1CCCNCC1 ZINC001246592575 804433713 /nfs/dbraw/zinc/43/37/13/804433713.db2.gz KOBUNZUGBASNOB-PCKAHOCUSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)COCC[C@H](C)[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246594296 804434610 /nfs/dbraw/zinc/43/46/10/804434610.db2.gz PUUIJEGDYCPDHQ-IRXDYDNUSA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)COCC[C@H](C)[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246594296 804434614 /nfs/dbraw/zinc/43/46/14/804434614.db2.gz PUUIJEGDYCPDHQ-IRXDYDNUSA-N 1 3 284.488 3.290 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001246594015 804434760 /nfs/dbraw/zinc/43/47/60/804434760.db2.gz UVZFVXKJCRFKIN-RVKKMQEKSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001246594015 804434767 /nfs/dbraw/zinc/43/47/67/804434767.db2.gz UVZFVXKJCRFKIN-RVKKMQEKSA-N 1 3 274.452 3.239 20 0 CGADHO C[C@H](CC(c1ccccc1)c1ccccc1)N1CC(C[NH3+])C1 ZINC001246597230 804436687 /nfs/dbraw/zinc/43/66/87/804436687.db2.gz SRIDZVQZHQWKRT-MRXNPFEDSA-N 1 3 294.442 3.488 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]23CCCNC3)C[C@@H]1C ZINC001246608202 804443521 /nfs/dbraw/zinc/44/35/21/804443521.db2.gz IIFIPXMABORXHV-UGUYLWEFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCCNC3)C[C@@H]1C ZINC001246608202 804443525 /nfs/dbraw/zinc/44/35/25/804443525.db2.gz IIFIPXMABORXHV-UGUYLWEFSA-N 1 3 250.430 3.029 20 0 CGADHO C1CCC2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3)C2 ZINC001246611383 804444824 /nfs/dbraw/zinc/44/48/24/804444824.db2.gz GDHSLNIEONRSSH-MUJYYYPQSA-N 1 3 262.441 3.316 20 0 CGADHO C1CCC2(C1)CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3)C2 ZINC001246611383 804444829 /nfs/dbraw/zinc/44/48/29/804444829.db2.gz GDHSLNIEONRSSH-MUJYYYPQSA-N 1 3 262.441 3.316 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246613259 804447578 /nfs/dbraw/zinc/44/75/78/804447578.db2.gz XUOUTZCDAVSBDB-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246613259 804447581 /nfs/dbraw/zinc/44/75/81/804447581.db2.gz XUOUTZCDAVSBDB-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H]1C[C@H](N2CCC[C@]3(CCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246618295 804452437 /nfs/dbraw/zinc/45/24/37/804452437.db2.gz JSLJFMUXBMDNBS-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246623350 804454901 /nfs/dbraw/zinc/45/49/01/804454901.db2.gz PVMMUYGHQYDIKK-ZWKOTPCHSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246623350 804454905 /nfs/dbraw/zinc/45/49/05/804454905.db2.gz PVMMUYGHQYDIKK-ZWKOTPCHSA-N 1 3 272.436 3.226 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246627192 804459174 /nfs/dbraw/zinc/45/91/74/804459174.db2.gz ZLWOJJJBLNTEIC-SJORKVTESA-N 1 3 282.472 3.046 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246627192 804459177 /nfs/dbraw/zinc/45/91/77/804459177.db2.gz ZLWOJJJBLNTEIC-SJORKVTESA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629196 804460190 /nfs/dbraw/zinc/46/01/90/804460190.db2.gz YGYYBACHQSQONF-FXUDXRNXSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629196 804460193 /nfs/dbraw/zinc/46/01/93/804460193.db2.gz YGYYBACHQSQONF-FXUDXRNXSA-N 1 3 252.446 3.131 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CCCC12CCNCC2 ZINC001246646213 804473990 /nfs/dbraw/zinc/47/39/90/804473990.db2.gz PAQXGGRNCBVCKO-KRWDZBQOSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+]1CCCC12CCNCC2 ZINC001246646213 804473992 /nfs/dbraw/zinc/47/39/92/804473992.db2.gz PAQXGGRNCBVCKO-KRWDZBQOSA-N 1 3 272.436 3.226 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654187 804481005 /nfs/dbraw/zinc/48/10/05/804481005.db2.gz VNXMPKVBHNJTNV-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654187 804481008 /nfs/dbraw/zinc/48/10/08/804481008.db2.gz VNXMPKVBHNJTNV-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661406 804484440 /nfs/dbraw/zinc/48/44/40/804484440.db2.gz WVDJCPVWBIECKP-JONQDZQNSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661406 804484442 /nfs/dbraw/zinc/48/44/42/804484442.db2.gz WVDJCPVWBIECKP-JONQDZQNSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H](CC1CC1)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246669968 804487959 /nfs/dbraw/zinc/48/79/59/804487959.db2.gz AVZWARCFXINJRD-NSISKUIASA-N 1 3 298.474 3.428 20 0 CGADHO C[C@H](CC1CC1)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246669968 804487965 /nfs/dbraw/zinc/48/79/65/804487965.db2.gz AVZWARCFXINJRD-NSISKUIASA-N 1 3 298.474 3.428 20 0 CGADHO CCC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246676295 804492004 /nfs/dbraw/zinc/49/20/04/804492004.db2.gz ZAAPOKMMEJYZER-QXAKKESOSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246676295 804492007 /nfs/dbraw/zinc/49/20/07/804492007.db2.gz ZAAPOKMMEJYZER-QXAKKESOSA-N 1 3 286.463 3.428 20 0 CGADHO CCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246689366 804497525 /nfs/dbraw/zinc/49/75/25/804497525.db2.gz JIWSQVDRWORHBQ-JYJNAYRXSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246689366 804497529 /nfs/dbraw/zinc/49/75/29/804497529.db2.gz JIWSQVDRWORHBQ-JYJNAYRXSA-N 1 3 270.436 3.369 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246779660 804507983 /nfs/dbraw/zinc/50/79/83/804507983.db2.gz IIBUXCQPVHAWRU-ZWKOTPCHSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246779660 804507988 /nfs/dbraw/zinc/50/79/88/804507988.db2.gz IIBUXCQPVHAWRU-ZWKOTPCHSA-N 1 3 274.452 3.315 20 0 CGADHO c1ccc(C[C@@H]2CC[N@@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790446 804512873 /nfs/dbraw/zinc/51/28/73/804512873.db2.gz FZKGWNFQCNDKPK-ROUUACIJSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(C[C@@H]2CC[N@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790446 804512876 /nfs/dbraw/zinc/51/28/76/804512876.db2.gz FZKGWNFQCNDKPK-ROUUACIJSA-N 1 3 284.447 3.226 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246791850 804515556 /nfs/dbraw/zinc/51/55/56/804515556.db2.gz MUFXNWDEBBQAQG-MVJTYMMSSA-N 1 3 272.436 3.080 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246791850 804515560 /nfs/dbraw/zinc/51/55/60/804515560.db2.gz MUFXNWDEBBQAQG-MVJTYMMSSA-N 1 3 272.436 3.080 20 0 CGADHO Cc1cccc(CCN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001246814688 804530397 /nfs/dbraw/zinc/53/03/97/804530397.db2.gz RFKFWDPIIKMYIV-BCDXTJNWSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1cccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC001246814688 804530401 /nfs/dbraw/zinc/53/04/01/804530401.db2.gz RFKFWDPIIKMYIV-BCDXTJNWSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1cccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC001246814688 804530407 /nfs/dbraw/zinc/53/04/07/804530407.db2.gz RFKFWDPIIKMYIV-BCDXTJNWSA-N 1 3 272.436 3.142 20 0 CGADHO C[N@H+](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246843563 804551626 /nfs/dbraw/zinc/55/16/26/804551626.db2.gz DKBIZDMKIIYNHS-MUJYYYPQSA-N 1 3 250.430 3.172 20 0 CGADHO C[N@@H+](CC1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246843563 804551630 /nfs/dbraw/zinc/55/16/30/804551630.db2.gz DKBIZDMKIIYNHS-MUJYYYPQSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@@H]1C[C@H](N2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849994 804559803 /nfs/dbraw/zinc/55/98/03/804559803.db2.gz SQEJVWCEHIZFQP-USXIJHARSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849994 804559808 /nfs/dbraw/zinc/55/98/08/804559808.db2.gz SQEJVWCEHIZFQP-USXIJHARSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849994 804559813 /nfs/dbraw/zinc/55/98/13/804559813.db2.gz SQEJVWCEHIZFQP-USXIJHARSA-N 1 3 276.399 3.146 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1 ZINC001246866933 804569052 /nfs/dbraw/zinc/56/90/52/804569052.db2.gz LCZZALPIQPBNCK-UIDBIOKJSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1 ZINC001246866933 804569054 /nfs/dbraw/zinc/56/90/54/804569054.db2.gz LCZZALPIQPBNCK-UIDBIOKJSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865636 804569484 /nfs/dbraw/zinc/56/94/84/804569484.db2.gz VNIQRLBQJGXXMA-XIRDDKMYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865636 804569492 /nfs/dbraw/zinc/56/94/92/804569492.db2.gz VNIQRLBQJGXXMA-XIRDDKMYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1Cc2ccccc2CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867670 804569890 /nfs/dbraw/zinc/56/98/90/804569890.db2.gz IKTQJEUSQRMFKT-RUGDWHBFSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867670 804569894 /nfs/dbraw/zinc/56/98/94/804569894.db2.gz IKTQJEUSQRMFKT-RUGDWHBFSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867670 804569899 /nfs/dbraw/zinc/56/98/99/804569899.db2.gz IKTQJEUSQRMFKT-RUGDWHBFSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@@H]1CN(C2CCC3(CCCCC3)CC2)C[C@@H]1[NH3+] ZINC001246879565 804577088 /nfs/dbraw/zinc/57/70/88/804577088.db2.gz FKTKYBTXLWQZHG-HIFRSBDPSA-N 1 3 250.430 3.159 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC001246970394 804622647 /nfs/dbraw/zinc/62/26/47/804622647.db2.gz YRHWRPALZKZJCH-DOMZBBRYSA-N 1 3 298.883 3.491 20 0 CGADHO CC(C)[N@H+]([C@H]1CCNC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246975934 804624272 /nfs/dbraw/zinc/62/42/72/804624272.db2.gz ULJYZQSPHRKYQQ-SOUVJXGZSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCNC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246975934 804624277 /nfs/dbraw/zinc/62/42/77/804624277.db2.gz ULJYZQSPHRKYQQ-SOUVJXGZSA-N 1 3 252.446 3.274 20 0 CGADHO CCCN(C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccccc1F ZINC001246977651 804626268 /nfs/dbraw/zinc/62/62/68/804626268.db2.gz SRVGSQCELNNYHK-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO CC(C)[NH+]1CCC(CNc2c[nH]cc3ccnc2-3)CC1 ZINC001166616210 807069579 /nfs/dbraw/zinc/06/95/79/807069579.db2.gz VGJMVHLCJXNBMT-UHFFFAOYSA-N 1 3 272.396 3.095 20 0 CGADHO CC(C)[NH+]1CCC(CNc2cncc3cc[nH]c32)CC1 ZINC001166616210 807069587 /nfs/dbraw/zinc/06/95/87/807069587.db2.gz VGJMVHLCJXNBMT-UHFFFAOYSA-N 1 3 272.396 3.095 20 0 CGADHO CCCCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001257509315 807187381 /nfs/dbraw/zinc/18/73/81/807187381.db2.gz PZWMGNLUABJLQV-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCC[C@@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001257509315 807187383 /nfs/dbraw/zinc/18/73/83/807187383.db2.gz PZWMGNLUABJLQV-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCC[C@@H](C)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257520227 807193352 /nfs/dbraw/zinc/19/33/52/807193352.db2.gz ROKYFIGTVFCPGB-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CCCCC[C@@H](C)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257520227 807193354 /nfs/dbraw/zinc/19/33/54/807193354.db2.gz ROKYFIGTVFCPGB-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO [NH3+]C1(c2cccc(Cl)c2)CCN([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917985 807274326 /nfs/dbraw/zinc/27/43/26/807274326.db2.gz QAMCHVKRMSLRFK-YWVIFJGQSA-N 1 3 290.838 3.388 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067801 807287360 /nfs/dbraw/zinc/28/73/60/807287360.db2.gz UTXKOQUKZRCFHK-NXOAAHMSSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067801 807287362 /nfs/dbraw/zinc/28/73/62/807287362.db2.gz UTXKOQUKZRCFHK-NXOAAHMSSA-N 1 3 266.473 3.331 20 0 CGADHO C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981824 807290572 /nfs/dbraw/zinc/29/05/72/807290572.db2.gz LWENDHCZNQMGGW-JTUUTPGSSA-N 1 3 262.441 3.124 20 0 CGADHO C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981824 807290577 /nfs/dbraw/zinc/29/05/77/807290577.db2.gz LWENDHCZNQMGGW-JTUUTPGSSA-N 1 3 262.441 3.124 20 0 CGADHO C[C@@H](Cc1ccco1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001258181230 807345056 /nfs/dbraw/zinc/34/50/56/807345056.db2.gz KSLWMAWAVBTAQI-HNNXBMFYSA-N 1 3 290.451 3.455 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@@H](C)Cc2ccco2)CC1 ZINC001258197832 807357955 /nfs/dbraw/zinc/35/79/55/807357955.db2.gz SHWSECRYKDKTSK-HNNXBMFYSA-N 1 3 278.440 3.407 20 0 CGADHO c1ccc2ncc(C[NH2+]C3CCN(CC4CC4)CC3)cc2c1 ZINC001168353022 807389993 /nfs/dbraw/zinc/38/99/93/807389993.db2.gz HGTLIHSWRPOKDK-UHFFFAOYSA-N 1 3 295.430 3.199 20 0 CGADHO CCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168353442 807390933 /nfs/dbraw/zinc/39/09/33/807390933.db2.gz OLBKKNJNCFYRDY-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@]1(F)CCCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168371479 807396632 /nfs/dbraw/zinc/39/66/32/807396632.db2.gz GNMYISHHNRUICU-INIZCTEOSA-N 1 3 268.420 3.075 20 0 CGADHO C[C@]1(F)CCCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC001168371479 807396639 /nfs/dbraw/zinc/39/66/39/807396639.db2.gz GNMYISHHNRUICU-INIZCTEOSA-N 1 3 268.420 3.075 20 0 CGADHO COc1ccc(C[N@H+](C)C2CCN(CC3CC3)CC2)cc1 ZINC001168377765 807398403 /nfs/dbraw/zinc/39/84/03/807398403.db2.gz HMECHRRAYZBEEZ-UHFFFAOYSA-N 1 3 288.435 3.001 20 0 CGADHO COc1ccc(C[N@@H+](C)C2CCN(CC3CC3)CC2)cc1 ZINC001168377765 807398411 /nfs/dbraw/zinc/39/84/11/807398411.db2.gz HMECHRRAYZBEEZ-UHFFFAOYSA-N 1 3 288.435 3.001 20 0 CGADHO COc1ccc(CC[C@H](C)[NH+]2CCC(N(C)C)CC2)cc1 ZINC001258398198 807439829 /nfs/dbraw/zinc/43/98/29/807439829.db2.gz QEQNVHPKYFWLOD-HNNXBMFYSA-N 1 3 290.451 3.042 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](C)CN ZINC001169062043 807563823 /nfs/dbraw/zinc/56/38/23/807563823.db2.gz QDHSMXPLDOPWQI-WBVHZDCISA-N 1 3 262.441 3.170 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)CN ZINC001169062043 807563831 /nfs/dbraw/zinc/56/38/31/807563831.db2.gz QDHSMXPLDOPWQI-WBVHZDCISA-N 1 3 262.441 3.170 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001169079063 807568130 /nfs/dbraw/zinc/56/81/30/807568130.db2.gz IDJMNAPCSFADAA-ZSOGYDGISA-N 1 3 298.352 3.420 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC001169107461 807579180 /nfs/dbraw/zinc/57/91/80/807579180.db2.gz HHDMTSJTPLGOHH-MHEUCROKSA-N 1 3 292.398 3.110 20 0 CGADHO CCC[NH+]1CCC(N2CC[C@@H](C)C(F)(F)CC2)CC1 ZINC001258771733 807605458 /nfs/dbraw/zinc/60/54/58/807605458.db2.gz RINZUBKHMDQUJO-CYBMUJFWSA-N 1 3 274.399 3.228 20 0 CGADHO CCC[NH+]1CCC(N2Cc3ccccc3C[C@H]2C)CC1 ZINC001258775848 807606995 /nfs/dbraw/zinc/60/69/95/807606995.db2.gz HCXDRHIRKCJIRB-OAHLLOKOSA-N 1 3 272.436 3.308 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](CC)Cc3ccccc3)C[C@H]2C1 ZINC001258853059 807660393 /nfs/dbraw/zinc/66/03/93/807660393.db2.gz SQLARPSIHHZGFI-QRVBRYPASA-N 1 3 286.463 3.281 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC001261566366 807758315 /nfs/dbraw/zinc/75/83/15/807758315.db2.gz CFTPFODHTFJJLI-HUUCEWRRSA-N 1 3 288.439 3.194 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170974019 807948878 /nfs/dbraw/zinc/94/88/78/807948878.db2.gz VFLNMUCADFOCLW-BZUAXINKSA-N 1 3 290.426 3.145 20 0 CGADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCc2c(F)cccc2C1 ZINC001171434271 808054381 /nfs/dbraw/zinc/05/43/81/808054381.db2.gz SKTHKCSXNHMOEA-MRXNPFEDSA-N 1 3 290.426 3.101 20 0 CGADHO Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C2 ZINC001171559481 808095921 /nfs/dbraw/zinc/09/59/21/808095921.db2.gz GNQKLSLGTSTIQZ-SQNIBIBYSA-N 1 3 286.463 3.315 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)CCc1ccc(C)cc1 ZINC001171658239 808113845 /nfs/dbraw/zinc/11/38/45/808113845.db2.gz PWWXSPYRHIYTDZ-MRXNPFEDSA-N 1 3 262.441 3.377 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)CCc1ccc(C)cc1 ZINC001171658239 808113850 /nfs/dbraw/zinc/11/38/50/808113850.db2.gz PWWXSPYRHIYTDZ-MRXNPFEDSA-N 1 3 262.441 3.377 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001171659892 808114564 /nfs/dbraw/zinc/11/45/64/808114564.db2.gz GAEHUSZVZIHRCA-AEFFLSMTSA-N 1 3 274.452 3.390 20 0 CGADHO C[C@H](C[NH3+])CN(C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965470 808161406 /nfs/dbraw/zinc/16/14/06/808161406.db2.gz RAFRDYYSLMUZGZ-VXGBXAGGSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965470 808161408 /nfs/dbraw/zinc/16/14/08/808161408.db2.gz RAFRDYYSLMUZGZ-VXGBXAGGSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965470 808161409 /nfs/dbraw/zinc/16/14/09/808161409.db2.gz RAFRDYYSLMUZGZ-VXGBXAGGSA-N 1 3 288.357 3.163 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC001172099988 808171786 /nfs/dbraw/zinc/17/17/86/808171786.db2.gz OAECTNXDJPCDGC-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172099988 808171790 /nfs/dbraw/zinc/17/17/90/808171790.db2.gz OAECTNXDJPCDGC-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccn1 ZINC001172106465 808176396 /nfs/dbraw/zinc/17/63/96/808176396.db2.gz PAYMZQFXAWRSMI-LVQVYYBASA-N 1 3 273.424 3.138 20 0 CGADHO CC(C)OCC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001172433051 808309549 /nfs/dbraw/zinc/30/95/49/808309549.db2.gz FQVPOHYHUDOGNU-HNNXBMFYSA-N 1 3 270.461 3.174 20 0 CGADHO CC(C)OCC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001172433051 808309558 /nfs/dbraw/zinc/30/95/58/808309558.db2.gz FQVPOHYHUDOGNU-HNNXBMFYSA-N 1 3 270.461 3.174 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](C)CN)C1 ZINC001172925991 808483579 /nfs/dbraw/zinc/48/35/79/808483579.db2.gz MSONWMXUFMZYIZ-CGTJXYLNSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](C)CN)C1 ZINC001172925991 808483583 /nfs/dbraw/zinc/48/35/83/808483583.db2.gz MSONWMXUFMZYIZ-CGTJXYLNSA-N 1 3 290.451 3.041 20 0 CGADHO CCCC[C@H](CC(C)C)[NH+]1CCC(N)(CCOC)CC1 ZINC001173254717 808562274 /nfs/dbraw/zinc/56/22/74/808562274.db2.gz AJTLZKURBDQUQT-MRXNPFEDSA-N 1 3 284.488 3.421 20 0 CGADHO CCSC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001173290270 808589932 /nfs/dbraw/zinc/58/99/32/808589932.db2.gz CPCMYOVALGJXBR-LLVKDONJSA-N 1 3 258.475 3.108 20 0 CGADHO C[N@@H+]1CCCC2(CCN(Cc3ccc(F)cc3)CC2)C1 ZINC001275828502 808969569 /nfs/dbraw/zinc/96/95/69/808969569.db2.gz BRWJDGDFHCEXOM-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO C[N@H+]1CCCC2(CCN(Cc3ccc(F)cc3)CC2)C1 ZINC001275828502 808969574 /nfs/dbraw/zinc/96/95/74/808969574.db2.gz BRWJDGDFHCEXOM-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cncc3ccccc31)C2 ZINC001275841789 808971162 /nfs/dbraw/zinc/97/11/62/808971162.db2.gz AQLAWROQWKJMOT-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cncc3ccccc31)C2 ZINC001275841789 808971168 /nfs/dbraw/zinc/97/11/68/808971168.db2.gz AQLAWROQWKJMOT-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276031364 808984525 /nfs/dbraw/zinc/98/45/25/808984525.db2.gz IOLUBEUFXXSAIW-JFIYKMOQSA-N 1 3 276.468 3.373 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276031364 808984531 /nfs/dbraw/zinc/98/45/31/808984531.db2.gz IOLUBEUFXXSAIW-JFIYKMOQSA-N 1 3 276.468 3.373 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCCc3c(F)cccc3F)(C1)CCC2 ZINC001276455497 809010199 /nfs/dbraw/zinc/01/01/99/809010199.db2.gz HZEYHRCXKHALHJ-DLBZAZTESA-N 1 3 294.389 3.162 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cc(C)cs3)(C1)CCC2 ZINC001276776771 809030256 /nfs/dbraw/zinc/03/02/56/809030256.db2.gz AISFVHSVTJCCOD-LSDHHAIUSA-N 1 3 264.438 3.211 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001276830816 809035659 /nfs/dbraw/zinc/03/56/59/809035659.db2.gz VJCALHOZWSGPNO-IBGZPJMESA-N 1 3 297.446 3.096 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001276830816 809035667 /nfs/dbraw/zinc/03/56/67/809035667.db2.gz VJCALHOZWSGPNO-IBGZPJMESA-N 1 3 297.446 3.096 20 0 CGADHO Cc1cnccc1Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001174540373 809072432 /nfs/dbraw/zinc/07/24/32/809072432.db2.gz XQRCLLUSINFTKU-UHFFFAOYSA-N 1 3 297.402 3.030 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc4ccccc4s3)[C@H]2C1 ZINC001179817669 809949048 /nfs/dbraw/zinc/94/90/48/809949048.db2.gz RHWREYAXVVBKSA-BPUTZDHNSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3cc4ccccc4s3)[C@H]2C1 ZINC001179817669 809949051 /nfs/dbraw/zinc/94/90/51/809949051.db2.gz RHWREYAXVVBKSA-BPUTZDHNSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@H+]1C[C@@H]2CC[C@H](NCc3cc4ccccc4s3)[C@H]2C1 ZINC001179817669 809949057 /nfs/dbraw/zinc/94/90/57/809949057.db2.gz RHWREYAXVVBKSA-BPUTZDHNSA-N 1 3 286.444 3.331 20 0 CGADHO CCC[C@@H](CNC(C)(C)CC[NH+]1CCCCCC1)OC ZINC001181043378 810033314 /nfs/dbraw/zinc/03/33/14/810033314.db2.gz MOCUFAZGRLOUPA-INIZCTEOSA-N 1 3 284.488 3.436 20 0 CGADHO C[C@@H](CC[NH2+]CCc1ccc(C(C)(C)C)cc1)N(C)C ZINC001183103808 810137363 /nfs/dbraw/zinc/13/73/63/810137363.db2.gz OJVOAQLDJBSMON-HNNXBMFYSA-N 1 3 276.468 3.456 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001193807234 810959275 /nfs/dbraw/zinc/95/92/75/810959275.db2.gz JJCGXAIMBXNLQV-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001193807234 810959280 /nfs/dbraw/zinc/95/92/80/810959280.db2.gz JJCGXAIMBXNLQV-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCCC[C@@H](CC)C[NH+]1CCN(c2ccncc2)CC1 ZINC001201563348 811905479 /nfs/dbraw/zinc/90/54/79/811905479.db2.gz ODFRMRVHEQHGOP-MRXNPFEDSA-N 1 3 275.440 3.420 20 0 CGADHO C[NH+](C)CC1(CNCc2cccc3cnccc32)CCCC1 ZINC001201929348 811977340 /nfs/dbraw/zinc/97/73/40/811977340.db2.gz LTJODYDQHNESHU-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C1 ZINC001201962767 811986324 /nfs/dbraw/zinc/98/63/24/811986324.db2.gz IJLQRWOGMADAGB-YESZJQIVSA-N 1 3 282.472 3.188 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c(C)[nH]c3ccccc32)CC1 ZINC001204289949 812600096 /nfs/dbraw/zinc/60/00/96/812600096.db2.gz WCYFYGIYPKYDFQ-UHFFFAOYSA-N 1 3 285.435 3.392 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC2(c3ccccc3)CCCC2)C1 ZINC001205001336 812818983 /nfs/dbraw/zinc/81/89/83/812818983.db2.gz QATFJJGPRMCGFY-QGZVFWFLSA-N 1 3 286.463 3.430 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2cc(O)cc3ccccc32)CC1 ZINC001205288791 812933653 /nfs/dbraw/zinc/93/36/53/812933653.db2.gz OKGBKVMTOVPSSU-SFHVURJKSA-N 1 3 284.403 3.249 20 0 CGADHO C[C@H]1CCN(CCCc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC001205295744 812935545 /nfs/dbraw/zinc/93/55/45/812935545.db2.gz BJVPNCCBUSAVFM-ZFWWWQNUSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CC[N@H+](CCCc2cccc(Cl)c2)C[C@@H]1CN ZINC001205295744 812935548 /nfs/dbraw/zinc/93/55/48/812935548.db2.gz BJVPNCCBUSAVFM-ZFWWWQNUSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@@H]1CN ZINC001205295744 812935557 /nfs/dbraw/zinc/93/55/57/812935557.db2.gz BJVPNCCBUSAVFM-ZFWWWQNUSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001205295655 812935731 /nfs/dbraw/zinc/93/57/31/812935731.db2.gz AXLCSYMTTSANMY-INIZCTEOSA-N 1 3 275.371 3.010 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205295610 812935823 /nfs/dbraw/zinc/93/58/23/812935823.db2.gz AMEMDKGXJJDOOV-GOSISDBHSA-N 1 3 290.451 3.486 20 0 CGADHO Cc1cnccc1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215742361 815572199 /nfs/dbraw/zinc/57/21/99/815572199.db2.gz FCKRDINASJLNFA-UHFFFAOYSA-N 1 3 269.392 3.301 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904553 813125799 /nfs/dbraw/zinc/12/57/99/813125799.db2.gz VSTXOYVAANXKOO-YOEHRIQHSA-N 1 3 260.425 3.369 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@H](CN)[C@@H]2C)C1(C)C ZINC001205903964 813126238 /nfs/dbraw/zinc/12/62/38/813126238.db2.gz SHSFXMKHINFBBT-ARFHVFGLSA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@H](CN)[C@@H]2C)C1(C)C ZINC001205903964 813126241 /nfs/dbraw/zinc/12/62/41/813126241.db2.gz SHSFXMKHINFBBT-ARFHVFGLSA-N 1 3 264.457 3.428 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912631 813129838 /nfs/dbraw/zinc/12/98/38/813129838.db2.gz BFWJSHUINMAGIZ-VXGBXAGGSA-N 1 3 291.826 3.381 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CNC3)C[C@@H]1C ZINC001206109544 813201375 /nfs/dbraw/zinc/20/13/75/813201375.db2.gz BIZLAXSGRMSNSX-KGLIPLIRSA-N 1 3 258.409 3.158 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CNC3)C[C@@H]1C ZINC001206109544 813201378 /nfs/dbraw/zinc/20/13/78/813201378.db2.gz BIZLAXSGRMSNSX-KGLIPLIRSA-N 1 3 258.409 3.158 20 0 CGADHO Cc1csc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206580980 813361409 /nfs/dbraw/zinc/36/14/09/813361409.db2.gz GSCGSMUYEXWUDS-CQSZACIVSA-N 1 3 266.454 3.409 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606309 813373697 /nfs/dbraw/zinc/37/36/97/813373697.db2.gz KCWGODMASAERIF-JYJNAYRXSA-N 1 3 250.430 3.040 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606309 813373703 /nfs/dbraw/zinc/37/37/03/813373703.db2.gz KCWGODMASAERIF-JYJNAYRXSA-N 1 3 250.430 3.040 20 0 CGADHO CC(C)COc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206615475 813376370 /nfs/dbraw/zinc/37/63/70/813376370.db2.gz DWAMSIDBFHBXSV-QGZVFWFLSA-N 1 3 290.451 3.282 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206615153 813376552 /nfs/dbraw/zinc/37/65/52/813376552.db2.gz DGQDPOMIDXXJMI-LBPRGKRZSA-N 1 3 291.826 3.382 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206761320 813425353 /nfs/dbraw/zinc/42/53/53/813425353.db2.gz WWLOZTGXIVBBQY-BZUAXINKSA-N 1 3 284.488 3.013 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206761320 813425356 /nfs/dbraw/zinc/42/53/56/813425356.db2.gz WWLOZTGXIVBBQY-BZUAXINKSA-N 1 3 284.488 3.013 20 0 CGADHO CC[N@H+]1C[C@H]2CN(CCCc3cccc(Cl)c3)C[C@H]2C1 ZINC001207593902 813604147 /nfs/dbraw/zinc/60/41/47/813604147.db2.gz OJTIFOAPDKPEOO-IYBDPMFKSA-N 1 3 292.854 3.156 20 0 CGADHO CC[N@@H+]1C[C@H]2CN(CCCc3cccc(Cl)c3)C[C@H]2C1 ZINC001207593902 813604153 /nfs/dbraw/zinc/60/41/53/813604153.db2.gz OJTIFOAPDKPEOO-IYBDPMFKSA-N 1 3 292.854 3.156 20 0 CGADHO CCCC[NH+]1CCC(N(C)CC[C@@H](C)SC)CC1 ZINC001208151794 813710396 /nfs/dbraw/zinc/71/03/96/813710396.db2.gz YIDCWCWBYQXLFR-CQSZACIVSA-N 1 3 272.502 3.324 20 0 CGADHO Cc1ccc([C@@H](C)CC[N@H+](C)CCCN2CCCC2)o1 ZINC001208153905 813712497 /nfs/dbraw/zinc/71/24/97/813712497.db2.gz DIVWLBBKSSMOMG-HNNXBMFYSA-N 1 3 278.440 3.499 20 0 CGADHO Cc1ccc([C@@H](C)CC[N@@H+](C)CCCN2CCCC2)o1 ZINC001208153905 813712501 /nfs/dbraw/zinc/71/25/01/813712501.db2.gz DIVWLBBKSSMOMG-HNNXBMFYSA-N 1 3 278.440 3.499 20 0 CGADHO CN(C)CC1(C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001208181969 813733877 /nfs/dbraw/zinc/73/38/77/813733877.db2.gz FZQFNYAFTASYJH-UHFFFAOYSA-N 1 3 260.425 3.240 20 0 CGADHO CN(C)CC1(C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001208181969 813733880 /nfs/dbraw/zinc/73/38/80/813733880.db2.gz FZQFNYAFTASYJH-UHFFFAOYSA-N 1 3 260.425 3.240 20 0 CGADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617020 813777198 /nfs/dbraw/zinc/77/71/98/813777198.db2.gz NZRDEHPEHBKRCI-DYVFJYSZSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617020 813777203 /nfs/dbraw/zinc/77/72/03/813777203.db2.gz NZRDEHPEHBKRCI-DYVFJYSZSA-N 1 3 294.389 3.444 20 0 CGADHO c1ccc(CN2CCC[C@H](C[NH+]3CC4CC(C4)C3)C2)cc1 ZINC001208947068 813908400 /nfs/dbraw/zinc/90/84/00/813908400.db2.gz YLCSFULFUAXWDR-VIQWUECVSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@H+]2CCC[C@H](CN3CC4CC(C4)C3)C2)cc1 ZINC001208947068 813908405 /nfs/dbraw/zinc/90/84/05/813908405.db2.gz YLCSFULFUAXWDR-VIQWUECVSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CC4CC(C4)C3)C2)cc1 ZINC001208947068 813908408 /nfs/dbraw/zinc/90/84/08/813908408.db2.gz YLCSFULFUAXWDR-VIQWUECVSA-N 1 3 284.447 3.240 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCN[C@@H](C)CC2)cc1 ZINC001210474993 814479594 /nfs/dbraw/zinc/47/95/94/814479594.db2.gz JZDWCFLWYJWFFH-HNNXBMFYSA-N 1 3 260.425 3.036 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCN[C@@H](C)CC2)cc1 ZINC001210474993 814479597 /nfs/dbraw/zinc/47/95/97/814479597.db2.gz JZDWCFLWYJWFFH-HNNXBMFYSA-N 1 3 260.425 3.036 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CCN[C@@H](C)CC2)c(C)c1C ZINC001210497941 814489988 /nfs/dbraw/zinc/48/99/88/814489988.db2.gz PUKFBNUKJPMCJA-LBPRGKRZSA-N 1 3 274.452 3.413 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CCN[C@@H](C)CC2)c(C)c1C ZINC001210497941 814489991 /nfs/dbraw/zinc/48/99/91/814489991.db2.gz PUKFBNUKJPMCJA-LBPRGKRZSA-N 1 3 274.452 3.413 20 0 CGADHO c1nscc1CN1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222120182 816352927 /nfs/dbraw/zinc/35/29/27/816352927.db2.gz UBCCNXRQQOKVBT-UHFFFAOYSA-N 1 3 293.480 3.279 20 0 CGADHO Fc1cccc(CCCN2CCC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001222259510 816389892 /nfs/dbraw/zinc/38/98/92/816389892.db2.gz RRBQSGBGRSBQDR-GOSISDBHSA-N 1 3 290.426 3.224 20 0 CGADHO Cn1c(CN2CCC[C@@]23CCC[NH2+]CC3)cc2ccccc21 ZINC001222314524 816406152 /nfs/dbraw/zinc/40/61/52/816406152.db2.gz HBOUKSZBKJHGCV-LJQANCHMSA-N 1 3 297.446 3.286 20 0 CGADHO COc1c(C)cccc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222320157 816408583 /nfs/dbraw/zinc/40/85/83/816408583.db2.gz BORNVVFPPKHQJH-SFHVURJKSA-N 1 3 288.435 3.112 20 0 CGADHO c1ccc2cc(CN3CC[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001222620422 816479035 /nfs/dbraw/zinc/47/90/35/816479035.db2.gz RODJIVABCXVHJP-ZWKOTPCHSA-N 1 3 266.388 3.024 20 0 CGADHO c1ccc2cc(C[N@@H+]3CC[C@H]4CNCC[C@H]43)ccc2c1 ZINC001222620422 816479041 /nfs/dbraw/zinc/47/90/41/816479041.db2.gz RODJIVABCXVHJP-ZWKOTPCHSA-N 1 3 266.388 3.024 20 0 CGADHO c1ccc2cc(C[N@H+]3CC[C@H]4CNCC[C@H]43)ccc2c1 ZINC001222620422 816479044 /nfs/dbraw/zinc/47/90/44/816479044.db2.gz RODJIVABCXVHJP-ZWKOTPCHSA-N 1 3 266.388 3.024 20 0 CGADHO CC[C@@H](N)C[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001222615703 816479511 /nfs/dbraw/zinc/47/95/11/816479511.db2.gz RYRAJUUINAFOCN-MRXNPFEDSA-N 1 3 272.436 3.094 20 0 CGADHO Cc1cc(F)cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222629978 816484226 /nfs/dbraw/zinc/48/42/26/816484226.db2.gz UIQKVFVESAWRSR-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO Cc1c2ccccc2sc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185390 819028209 /nfs/dbraw/zinc/02/82/09/819028209.db2.gz SONNJQAFWABLAI-KGLIPLIRSA-N 1 3 286.444 3.251 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CCCCC23CCNCC3)o1 ZINC001235190475 819030194 /nfs/dbraw/zinc/03/01/94/819030194.db2.gz JBGRSDPGJVDSPU-UHFFFAOYSA-N 1 3 276.424 3.129 20 0 CGADHO Cc1ccc(CCC[N@H+]2CCCCC23CCNCC3)o1 ZINC001235190475 819030199 /nfs/dbraw/zinc/03/01/99/819030199.db2.gz JBGRSDPGJVDSPU-UHFFFAOYSA-N 1 3 276.424 3.129 20 0 CGADHO Cc1ccc(CCCN2CCCCC23CC[NH2+]CC3)o1 ZINC001235190475 819030204 /nfs/dbraw/zinc/03/02/04/819030204.db2.gz JBGRSDPGJVDSPU-UHFFFAOYSA-N 1 3 276.424 3.129 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC001235239315 819044959 /nfs/dbraw/zinc/04/49/59/819044959.db2.gz HBIDOSSJJXZTRU-QZTJIDSGSA-N 1 3 272.436 3.166 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC001235239315 819044963 /nfs/dbraw/zinc/04/49/63/819044963.db2.gz HBIDOSSJJXZTRU-QZTJIDSGSA-N 1 3 272.436 3.166 20 0 CGADHO CC(C)(CCN1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235253194 819050248 /nfs/dbraw/zinc/05/02/48/819050248.db2.gz CILZVDAIWTXDCS-NVXWUHKLSA-N 1 3 272.436 3.038 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@H+](CCCCc1ccccc1)C2 ZINC001235399398 819084914 /nfs/dbraw/zinc/08/49/14/819084914.db2.gz AYINTRYTRGQBOH-ZWKOTPCHSA-N 1 3 290.426 3.033 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399398 819084919 /nfs/dbraw/zinc/08/49/19/819084919.db2.gz AYINTRYTRGQBOH-ZWKOTPCHSA-N 1 3 290.426 3.033 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@H+](CCCC1CCCCC1)C2 ZINC001235405462 819088330 /nfs/dbraw/zinc/08/83/30/819088330.db2.gz PAEFYELEXMDTCH-IAGOWNOFSA-N 1 3 282.447 3.370 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405462 819088333 /nfs/dbraw/zinc/08/83/33/819088333.db2.gz PAEFYELEXMDTCH-IAGOWNOFSA-N 1 3 282.447 3.370 20 0 CGADHO F[C@@H]1CC[NH2+]C[C@@]12CCN(CCCC1CCCCC1)C2 ZINC001235405462 819088338 /nfs/dbraw/zinc/08/83/38/819088338.db2.gz PAEFYELEXMDTCH-IAGOWNOFSA-N 1 3 282.447 3.370 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCC[C@H](CN)C2)C1(C)C ZINC001235673578 819133932 /nfs/dbraw/zinc/13/39/32/819133932.db2.gz OVNGKRSZORJFKC-CABCVRRESA-N 1 3 250.430 3.040 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCC[C@H](CN)C2)C1(C)C ZINC001235673578 819133936 /nfs/dbraw/zinc/13/39/36/819133936.db2.gz OVNGKRSZORJFKC-CABCVRRESA-N 1 3 250.430 3.040 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1ccc(Cl)cc1F ZINC001235714530 819150252 /nfs/dbraw/zinc/15/02/52/819150252.db2.gz MPIOWUIJJPNCIU-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@H]1CC[N@H+](Cc2cc3c(s2)CNCC3)[C@@H](C)C1 ZINC001235819226 819174413 /nfs/dbraw/zinc/17/44/13/819174413.db2.gz CAIYPASMWLEELM-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H]1CC[N@@H+](Cc2cc3c(s2)CNCC3)[C@@H](C)C1 ZINC001235819226 819174416 /nfs/dbraw/zinc/17/44/16/819174416.db2.gz CAIYPASMWLEELM-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO Cc1c(C)c(C[N@@H+](CCN)C(C)C)ccc1Cl ZINC001235947079 819235528 /nfs/dbraw/zinc/23/55/28/819235528.db2.gz GLDHUOQJCJFECE-UHFFFAOYSA-N 1 3 254.805 3.126 20 0 CGADHO Cc1c(C)c(C[N@H+](CCN)C(C)C)ccc1Cl ZINC001235947079 819235534 /nfs/dbraw/zinc/23/55/34/819235534.db2.gz GLDHUOQJCJFECE-UHFFFAOYSA-N 1 3 254.805 3.126 20 0 CGADHO C[C@@H](CC[N@@H+](C)C[C@@H]1CCCNC1)CC(C)(C)C ZINC001235950665 819241580 /nfs/dbraw/zinc/24/15/80/819241580.db2.gz KYPKMDOAPGFIPU-LSDHHAIUSA-N 1 3 254.462 3.380 20 0 CGADHO C[C@@H](CC[N@H+](C)C[C@@H]1CCCNC1)CC(C)(C)C ZINC001235950665 819241575 /nfs/dbraw/zinc/24/15/75/819241575.db2.gz KYPKMDOAPGFIPU-LSDHHAIUSA-N 1 3 254.462 3.380 20 0 CGADHO COc1ccc2cc(CN3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])ccc2c1 ZINC001235958224 819245088 /nfs/dbraw/zinc/24/50/88/819245088.db2.gz AGPDGLSMEWCXCQ-IZZQQSIFSA-N 1 3 296.414 3.018 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980955 819257195 /nfs/dbraw/zinc/25/71/95/819257195.db2.gz SOWSDAFNDRMSOP-UKRRQHHQSA-N 1 3 298.352 3.061 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980955 819257200 /nfs/dbraw/zinc/25/72/00/819257200.db2.gz SOWSDAFNDRMSOP-UKRRQHHQSA-N 1 3 298.352 3.061 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2C[C@@H](C)C[C@H](N)C2)c(C)c1C ZINC001236046723 819284186 /nfs/dbraw/zinc/28/41/86/819284186.db2.gz HTVVAIOKIDWTDS-GTNSWQLSSA-N 1 3 274.452 3.398 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2C[C@@H](C)C[C@H](N)C2)c(C)c1C ZINC001236046723 819284191 /nfs/dbraw/zinc/28/41/91/819284191.db2.gz HTVVAIOKIDWTDS-GTNSWQLSSA-N 1 3 274.452 3.398 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059329 819293018 /nfs/dbraw/zinc/29/30/18/819293018.db2.gz FEYYPQZWNMGXRB-PMPSAXMXSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059329 819293024 /nfs/dbraw/zinc/29/30/24/819293024.db2.gz FEYYPQZWNMGXRB-PMPSAXMXSA-N 1 3 250.430 3.053 20 0 CGADHO CCC[N@H+](Cc1cccc2ccoc21)C1CCNCC1 ZINC001236185084 819358934 /nfs/dbraw/zinc/35/89/34/819358934.db2.gz VTYFZOKITKVEIL-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO CCC[N@@H+](Cc1cccc2ccoc21)C1CCNCC1 ZINC001236185084 819358942 /nfs/dbraw/zinc/35/89/42/819358942.db2.gz VTYFZOKITKVEIL-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO CCC[N@H+](Cc1ccc2c(ccn2C)c1)C1CCNCC1 ZINC001236181699 819360866 /nfs/dbraw/zinc/36/08/66/819360866.db2.gz BGWLGYPDOJYCQN-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO CCC[N@@H+](Cc1ccc2c(ccn2C)c1)C1CCNCC1 ZINC001236181699 819360872 /nfs/dbraw/zinc/36/08/72/819360872.db2.gz BGWLGYPDOJYCQN-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO CCCN(Cc1ccc2c(ccn2C)c1)C1CC[NH2+]CC1 ZINC001236181699 819360879 /nfs/dbraw/zinc/36/08/79/819360879.db2.gz BGWLGYPDOJYCQN-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO CC1(CN2CCC[C@H]2c2c(F)cccc2F)CC[NH2+]CC1 ZINC001236189832 819363210 /nfs/dbraw/zinc/36/32/10/819363210.db2.gz OVVURWDECGAVQN-HNNXBMFYSA-N 1 3 294.389 3.491 20 0 CGADHO C[N@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@@H]1N ZINC001236215399 819378594 /nfs/dbraw/zinc/37/85/94/819378594.db2.gz HTRUKEUTEWOYTD-WMZOPIPTSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@@H]1N ZINC001236215399 819378600 /nfs/dbraw/zinc/37/86/00/819378600.db2.gz HTRUKEUTEWOYTD-WMZOPIPTSA-N 1 3 283.419 3.179 20 0 CGADHO CCn1ccc2ccc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)cc21 ZINC001236218671 819383548 /nfs/dbraw/zinc/38/35/48/819383548.db2.gz SUEQLBIPWGEQLP-IRXDYDNUSA-N 1 3 285.435 3.363 20 0 CGADHO CCn1ccc2ccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)cc21 ZINC001236218671 819383553 /nfs/dbraw/zinc/38/35/53/819383553.db2.gz SUEQLBIPWGEQLP-IRXDYDNUSA-N 1 3 285.435 3.363 20 0 CGADHO CS[C@H](C)CC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372613 819441425 /nfs/dbraw/zinc/44/14/25/819441425.db2.gz QWZGXVUYZYDYSY-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO CS[C@H](C)CC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372613 819441431 /nfs/dbraw/zinc/44/14/31/819441431.db2.gz QWZGXVUYZYDYSY-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415668 819461141 /nfs/dbraw/zinc/46/11/41/819461141.db2.gz PHJSTDUNOGOZBV-WXYCVUISSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415668 819461144 /nfs/dbraw/zinc/46/11/44/819461144.db2.gz PHJSTDUNOGOZBV-WXYCVUISSA-N 1 3 278.827 3.255 20 0 CGADHO CCCN(Cc1ccc(OC)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236834825 819614441 /nfs/dbraw/zinc/61/44/41/819614441.db2.gz INNSHGCGNMQWRT-INIZCTEOSA-N 1 3 290.451 3.134 20 0 CGADHO CCCN(Cc1c(C)cc(F)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236841939 819619152 /nfs/dbraw/zinc/61/91/52/819619152.db2.gz BBGOJBXDIPUOFG-HNNXBMFYSA-N 1 3 278.415 3.264 20 0 CGADHO CCC(CC)[N@H+](CC1CNC1)[C@H](C)c1ccccc1 ZINC001236858529 819625106 /nfs/dbraw/zinc/62/51/06/819625106.db2.gz COBXBWGQSMEYOD-CQSZACIVSA-N 1 3 260.425 3.458 20 0 CGADHO CCC(CC)[N@@H+](CC1CNC1)[C@H](C)c1ccccc1 ZINC001236858529 819625107 /nfs/dbraw/zinc/62/51/07/819625107.db2.gz COBXBWGQSMEYOD-CQSZACIVSA-N 1 3 260.425 3.458 20 0 CGADHO CCCc1ccc(CN2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237058402 819655906 /nfs/dbraw/zinc/65/59/06/819655906.db2.gz PMXVKQFGXBYCSY-QGZVFWFLSA-N 1 3 260.425 3.200 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc3ccccc3c2)C1 ZINC001237059866 819655986 /nfs/dbraw/zinc/65/59/86/819655986.db2.gz WRIHHXMJJROPIT-SFHVURJKSA-N 1 3 268.404 3.401 20 0 CGADHO CC(C)c1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001239626083 820472005 /nfs/dbraw/zinc/47/20/05/820472005.db2.gz SRZSTSPLGCZBSC-UHFFFAOYSA-N 1 3 281.403 3.282 20 0 CGADHO C[C@@H]([NH3+])c1ccccc1-c1cccc(N2CCN(C)CC2)c1 ZINC001243675006 823481869 /nfs/dbraw/zinc/48/18/69/823481869.db2.gz UKJHLLMZFFOZNQ-OAHLLOKOSA-N 1 3 295.430 3.125 20 0 CGADHO Cc1ccc(C[NH+]2CCCC2)cc1C1=CCCN(C)C1 ZINC001241571632 821958672 /nfs/dbraw/zinc/95/86/72/821958672.db2.gz BGYBNDDRLYMRSQ-UHFFFAOYSA-N 1 3 270.420 3.310 20 0 CGADHO c1nn(C2CC[NH2+]CC2)cc1-c1cccc(C2=NCCC2)c1 ZINC001241777218 822141269 /nfs/dbraw/zinc/14/12/69/822141269.db2.gz AIFUCNGBKGUZAM-UHFFFAOYSA-N 1 3 294.402 3.058 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@H](c1ccc(C)cc1)C1CCC1 ZINC001345482977 936812442 /nfs/dbraw/zinc/81/24/42/936812442.db2.gz PQJSJUAOPORWRB-YOEHRIQHSA-N 1 3 260.425 3.424 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(F)cc1 ZINC000399002614 926753051 /nfs/dbraw/zinc/75/30/51/926753051.db2.gz DREDYKAFTUXFIG-WQVCFCJDSA-N 1 3 264.388 3.253 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC001308847121 928548407 /nfs/dbraw/zinc/54/84/07/928548407.db2.gz BKUOLLDBFPJTBQ-LSDHHAIUSA-N 1 3 286.529 3.474 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC001308847121 928548416 /nfs/dbraw/zinc/54/84/16/928548416.db2.gz BKUOLLDBFPJTBQ-LSDHHAIUSA-N 1 3 286.529 3.474 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163485701 932003230 /nfs/dbraw/zinc/00/32/30/932003230.db2.gz ZLKOUUIITVGBER-HOCLYGCPSA-N 1 3 274.452 3.401 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC001461365875 937577934 /nfs/dbraw/zinc/57/79/34/937577934.db2.gz SYNPVZRYBQXDSG-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001461830557 937600621 /nfs/dbraw/zinc/60/06/21/937600621.db2.gz PPCOXYFIXOLTMZ-IPMKNSEASA-N 1 3 286.463 3.315 20 0 CGADHO CC(C)C1(C[NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC001462087428 937617093 /nfs/dbraw/zinc/61/70/93/937617093.db2.gz UEFZTQQHTVCVKU-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(C(F)F)c1 ZINC001331819666 932720444 /nfs/dbraw/zinc/72/04/44/932720444.db2.gz CJMIIYDJSFLDFY-ZIAGYGMSSA-N 1 3 268.351 3.231 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC001308553494 933130623 /nfs/dbraw/zinc/13/06/23/933130623.db2.gz ASTKLJKMMMEYBO-DOTOQJQBSA-N 1 3 289.467 3.039 20 0 CGADHO CSC(C)(C)CC[NH2+]CC[C@H](C)N1CCCCC1 ZINC001308682736 933157578 /nfs/dbraw/zinc/15/75/78/933157578.db2.gz CPALQPKIHIGDPJ-AWEZNQCLSA-N 1 3 272.502 3.372 20 0 CGADHO C[NH+]1CCC(CN2CC(Cc3ccccc3Cl)C2)CC1 ZINC001308748130 933170557 /nfs/dbraw/zinc/17/05/57/933170557.db2.gz ZHQDLFYVOXHSRY-UHFFFAOYSA-N 1 3 292.854 3.156 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001308864012 933192525 /nfs/dbraw/zinc/19/25/25/933192525.db2.gz OXKUSVXAYDWKDT-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC001308864012 933192528 /nfs/dbraw/zinc/19/25/28/933192528.db2.gz OXKUSVXAYDWKDT-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC001308864012 933192530 /nfs/dbraw/zinc/19/25/30/933192530.db2.gz OXKUSVXAYDWKDT-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)c1cccc(Cl)c1 ZINC001308983349 933221681 /nfs/dbraw/zinc/22/16/81/933221681.db2.gz CLUQPQJCFVDYLM-NQZOLGFYSA-N 1 3 292.854 3.373 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)[C@@H]2C1 ZINC001308985245 933222400 /nfs/dbraw/zinc/22/24/00/933222400.db2.gz YQKWLMBMUYYLNK-WEVKCVHISA-N 1 3 276.468 3.275 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(CC)C1 ZINC001319190900 933839794 /nfs/dbraw/zinc/83/97/94/933839794.db2.gz UFVUUXNKUGIVAH-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(CC)C2)s1 ZINC001319755776 933927594 /nfs/dbraw/zinc/92/75/94/933927594.db2.gz SWWYZJNQRLPGIU-TZMCWYRMSA-N 1 3 295.496 3.396 20 0 CGADHO Cc1cnc2ccccc2c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC001320758037 934100553 /nfs/dbraw/zinc/10/05/53/934100553.db2.gz ZGEVPRQTJSXMDF-OAHLLOKOSA-N 1 3 283.419 3.464 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001474757098 934176998 /nfs/dbraw/zinc/17/69/98/934176998.db2.gz QBMQJEDJDFHDSP-GBESFXJTSA-N 1 3 286.463 3.282 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC001322634788 934322942 /nfs/dbraw/zinc/32/29/42/934322942.db2.gz ZAEJQECDKCSPJV-DOTOQJQBSA-N 1 3 288.435 3.222 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485289 934400991 /nfs/dbraw/zinc/40/09/91/934400991.db2.gz GMMMMKWQTWWGID-GUYCJALGSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485289 934400994 /nfs/dbraw/zinc/40/09/94/934400994.db2.gz GMMMMKWQTWWGID-GUYCJALGSA-N 1 3 276.399 3.087 20 0 CGADHO C[C@@H]1CCC[C@H](CCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001473278829 937799633 /nfs/dbraw/zinc/79/96/33/937799633.db2.gz NBGCPUFRVYNYTI-IAGOWNOFSA-N 1 3 287.451 3.420 20 0 CGADHO C[C@H]1CCC[C@@H](CCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001473278830 937799694 /nfs/dbraw/zinc/79/96/94/937799694.db2.gz NBGCPUFRVYNYTI-IRXDYDNUSA-N 1 3 287.451 3.420 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1c(F)cccc1Cl ZINC001325743061 934926023 /nfs/dbraw/zinc/92/60/23/934926023.db2.gz JCIUWCPCCKPLGC-ABAIWWIYSA-N 1 3 284.806 3.129 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cccc3c2NCCC3)CC1 ZINC001331546400 935391456 /nfs/dbraw/zinc/39/14/56/935391456.db2.gz DONVAWLQLVVQFM-UHFFFAOYSA-N 1 3 299.462 3.105 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cccc3c2NCCC3)CC1 ZINC001331546400 935391462 /nfs/dbraw/zinc/39/14/62/935391462.db2.gz DONVAWLQLVVQFM-UHFFFAOYSA-N 1 3 299.462 3.105 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@H]1CCCc2c(C)ccc(C)c21 ZINC001331835003 935413466 /nfs/dbraw/zinc/41/34/66/935413466.db2.gz ODESFSXSLOTIBJ-HOCLYGCPSA-N 1 3 260.425 3.268 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC001332386725 935464081 /nfs/dbraw/zinc/46/40/81/935464081.db2.gz WSDOFBKCCLAJCR-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CNCc2cccc3ncccc23)C1 ZINC001332386725 935464083 /nfs/dbraw/zinc/46/40/83/935464083.db2.gz WSDOFBKCCLAJCR-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CC[N@H+]1CCC[C@@H](CNCc2cccc3ncccc23)C1 ZINC001332386725 935464090 /nfs/dbraw/zinc/46/40/90/935464090.db2.gz WSDOFBKCCLAJCR-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO Cc1occc1C[N@H+]1CCCC[C@H]1[C@@H](C)CN(C)C ZINC001474647319 937872865 /nfs/dbraw/zinc/87/28/65/937872865.db2.gz NEDGNFOJQQITRR-BBRMVZONSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1occc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CN(C)C ZINC001474647319 937872867 /nfs/dbraw/zinc/87/28/67/937872867.db2.gz NEDGNFOJQQITRR-BBRMVZONSA-N 1 3 264.413 3.140 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238470 938178426 /nfs/dbraw/zinc/17/84/26/938178426.db2.gz WAPGAOSKMCVXQO-JDEYZFBPSA-N 1 3 294.483 3.044 20 0 CGADHO [NH3+][C@@H]1CCCC[C@@H]1NC[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001552895548 938195026 /nfs/dbraw/zinc/19/50/26/938195026.db2.gz NFLCMIFNFDCKOH-ZJPYXAASSA-N 1 3 288.435 3.156 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3cccc(F)c3)C1)[NH2+]2 ZINC001553025316 938196161 /nfs/dbraw/zinc/19/61/61/938196161.db2.gz CARIBLFMEMZQFX-JOMSHVRNSA-N 1 3 288.410 3.190 20 0 CGADHO CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC001560361055 938254994 /nfs/dbraw/zinc/25/49/94/938254994.db2.gz HSABEIXKOSUJNA-SWLSCSKDSA-N 1 3 296.842 3.311 20 0 CGADHO CC(C)(C)c1nc(CNC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC001575282583 962363404 /nfs/dbraw/zinc/36/34/04/962363404.db2.gz RDVLEDOYDCSUBQ-CLLJXQQHSA-N 1 3 293.480 3.061 20 0 CGADHO CC(C)(N)c1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)on1 ZINC001575365802 962363765 /nfs/dbraw/zinc/36/37/65/962363765.db2.gz OBKPSSPQQCMITR-HZPDHXFCSA-N 1 3 299.418 3.294 20 0 CGADHO CC(C)(N)C[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC001575354074 962369793 /nfs/dbraw/zinc/36/97/93/962369793.db2.gz DWPRHCYBPMOTCX-UHFFFAOYSA-N 1 3 280.843 3.332 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC001575422215 962372942 /nfs/dbraw/zinc/37/29/42/962372942.db2.gz FWPMIJPVWSDCPT-IRXDYDNUSA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC001575422215 962372959 /nfs/dbraw/zinc/37/29/59/962372959.db2.gz FWPMIJPVWSDCPT-IRXDYDNUSA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN1CCCCC[C@H]1c1ccncc1 ZINC001575422215 962372974 /nfs/dbraw/zinc/37/29/74/962372974.db2.gz FWPMIJPVWSDCPT-IRXDYDNUSA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)C[C@H](C)C[NH2+][C@@H]1[C@H]2CCCN[C@H]2C1(C)C ZINC001575531528 962377727 /nfs/dbraw/zinc/37/77/27/962377727.db2.gz QIHXOEIBUPBKHZ-BYNSBNAKSA-N 1 3 252.446 3.035 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC001575507545 962378009 /nfs/dbraw/zinc/37/80/09/962378009.db2.gz DZCQIUWBMJJFGH-JFRXWTBNSA-N 1 3 284.447 3.145 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001575531267 962392203 /nfs/dbraw/zinc/39/22/03/962392203.db2.gz NCDQIJPCZKWERO-JYJNAYRXSA-N 1 3 252.446 3.120 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001575531267 962392212 /nfs/dbraw/zinc/39/22/12/962392212.db2.gz NCDQIJPCZKWERO-JYJNAYRXSA-N 1 3 252.446 3.120 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC001575941064 962420605 /nfs/dbraw/zinc/42/06/05/962420605.db2.gz IEGJWAMUNMOSQI-YDHLFZDLSA-N 1 3 296.842 3.228 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117312 962437713 /nfs/dbraw/zinc/43/77/13/962437713.db2.gz MISJQDWPFSSYRA-OJLVUWQFSA-N 1 3 294.389 3.095 20 0 CGADHO C[C@H](c1ccc(F)nc1)N1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001576302189 962452487 /nfs/dbraw/zinc/45/24/87/962452487.db2.gz SFMHVLDFBFIIHJ-HIFRSBDPSA-N 1 3 291.414 3.123 20 0 CGADHO CCCC(CCC)[NH2+][C@@H]1[C@H]2CCCN[C@H]2C1(C)C ZINC001577352586 962527489 /nfs/dbraw/zinc/52/74/89/962527489.db2.gz ATCPUDOUPBILSW-RRFJBIMHSA-N 1 3 252.446 3.321 20 0 CGADHO COc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001579216092 962610190 /nfs/dbraw/zinc/61/01/90/962610190.db2.gz CATUIIRJUYYNMW-CABCVRRESA-N 1 3 298.430 3.326 20 0 CGADHO Cc1cc(C)cc(CCN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001579580171 962637492 /nfs/dbraw/zinc/63/74/92/962637492.db2.gz RRYHWBRAYZUQHK-LJQANCHMSA-N 1 3 286.463 3.312 20 0 CGADHO Cc1cccc(CCC[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)c1 ZINC001579759584 962670747 /nfs/dbraw/zinc/67/07/47/962670747.db2.gz NWQTZBIFXILMOL-RYRKJORJSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1cccc(CCC[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)c1 ZINC001579759584 962670755 /nfs/dbraw/zinc/67/07/55/962670755.db2.gz NWQTZBIFXILMOL-RYRKJORJSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1cccnc1CCCNC[C@@H]([NH3+])CCC(C)(C)C ZINC001579807836 962681915 /nfs/dbraw/zinc/68/19/15/962681915.db2.gz PWEQOXGLDBAVSI-HNNXBMFYSA-N 1 3 277.456 3.066 20 0 CGADHO Cc1cc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)oc1C ZINC000337479560 214109844 /nfs/dbraw/zinc/10/98/44/214109844.db2.gz PZQUOFMPYUTHHF-CYBMUJFWSA-N 1 3 276.424 3.421 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000337991723 214348289 /nfs/dbraw/zinc/34/82/89/214348289.db2.gz WQVCONPYVWVFEL-JJXSEGSLSA-N 1 3 250.430 3.028 20 0 CGADHO CCc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000652033121 398318042 /nfs/dbraw/zinc/31/80/42/398318042.db2.gz CWLWZEGKIUEOJP-UHFFFAOYSA-N 1 3 295.430 3.403 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000423458734 529453450 /nfs/dbraw/zinc/45/34/50/529453450.db2.gz HDALFFALVWNARO-STQMWFEESA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@@]1(C(C)C)C[C@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897673 529521085 /nfs/dbraw/zinc/52/10/85/529521085.db2.gz VPXMCGZKDAIEMZ-SJORKVTESA-N 1 3 291.439 3.056 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478463 529568464 /nfs/dbraw/zinc/56/84/64/529568464.db2.gz UPPDCKVPKIVTEL-MJGOQNOKSA-N 1 3 298.430 3.306 20 0 CGADHO c1ccc(CSCC[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000591282804 346913674 /nfs/dbraw/zinc/91/36/74/346913674.db2.gz RUJQQRRUNCYOEU-MRXNPFEDSA-N 1 3 290.476 3.184 20 0 CGADHO c1ccc(CSCCN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282804 346913676 /nfs/dbraw/zinc/91/36/76/346913676.db2.gz RUJQQRRUNCYOEU-MRXNPFEDSA-N 1 3 290.476 3.184 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000414060496 529628478 /nfs/dbraw/zinc/62/84/78/529628478.db2.gz ATLWJIUIDCOKGT-QGTPRVQTSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(OC(F)(F)F)cc1 ZINC000423468544 529666480 /nfs/dbraw/zinc/66/64/80/529666480.db2.gz OMFJPPRDLAATMC-CWSCBRNRSA-N 1 3 290.329 3.362 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423406066 529670498 /nfs/dbraw/zinc/67/04/98/529670498.db2.gz YJAPWQOAVHZCCS-ILXRZTDVSA-N 1 3 250.361 3.136 20 0 CGADHO Cc1cccc(OC[C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623372257 349792461 /nfs/dbraw/zinc/79/24/61/349792461.db2.gz MCGMIISPTKKMJI-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(OC[C@@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372257 349792464 /nfs/dbraw/zinc/79/24/64/349792464.db2.gz MCGMIISPTKKMJI-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO CN1CC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387468 349796112 /nfs/dbraw/zinc/79/61/12/349796112.db2.gz DVDVHWXRZYMMGJ-GOEBONIOSA-N 1 3 288.435 3.363 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623408030 349800915 /nfs/dbraw/zinc/80/09/15/349800915.db2.gz FALVJABTNAYLMO-WBVHZDCISA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408030 349800918 /nfs/dbraw/zinc/80/09/18/349800918.db2.gz FALVJABTNAYLMO-WBVHZDCISA-N 1 3 272.436 3.445 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CCO1 ZINC000352972964 282247430 /nfs/dbraw/zinc/24/74/30/282247430.db2.gz ZMCUZIOEDCJRPD-MLHJIOFPSA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000352972964 282247432 /nfs/dbraw/zinc/24/74/32/282247432.db2.gz ZMCUZIOEDCJRPD-MLHJIOFPSA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000352972964 282247434 /nfs/dbraw/zinc/24/74/34/282247434.db2.gz ZMCUZIOEDCJRPD-MLHJIOFPSA-N 1 3 294.483 3.187 20 0 CGADHO CCc1nc(C)c([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423267612 529729735 /nfs/dbraw/zinc/72/97/35/529729735.db2.gz CXNREQCWZMZSQZ-CYZMBNFOSA-N 1 3 281.469 3.182 20 0 CGADHO Cc1csc([C@@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623491000 349819274 /nfs/dbraw/zinc/81/92/74/349819274.db2.gz AFDLSMCBQWHDON-AAEUAGOBSA-N 1 3 281.469 3.017 20 0 CGADHO Cc1csc([C@@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491000 349819277 /nfs/dbraw/zinc/81/92/77/349819277.db2.gz AFDLSMCBQWHDON-AAEUAGOBSA-N 1 3 281.469 3.017 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@H]2CCC[C@H]21 ZINC000368611387 529806791 /nfs/dbraw/zinc/80/67/91/529806791.db2.gz CSSJKXDCWWEYIM-FRRDWIJNSA-N 1 3 284.856 3.364 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@H]2CCC[C@H]21 ZINC000368611387 529806792 /nfs/dbraw/zinc/80/67/92/529806792.db2.gz CSSJKXDCWWEYIM-FRRDWIJNSA-N 1 3 284.856 3.364 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H]2CCC[C@H]21 ZINC000368611387 529806793 /nfs/dbraw/zinc/80/67/93/529806793.db2.gz CSSJKXDCWWEYIM-FRRDWIJNSA-N 1 3 284.856 3.364 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623657397 349859708 /nfs/dbraw/zinc/85/97/08/349859708.db2.gz PTFFLYYSWYNQKA-PMPSAXMXSA-N 1 3 252.446 3.134 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000623655891 349856866 /nfs/dbraw/zinc/85/68/66/349856866.db2.gz IAYBPQVYITVARV-HNNXBMFYSA-N 1 3 272.436 3.386 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623656145 349856888 /nfs/dbraw/zinc/85/68/88/349856888.db2.gz OBSBWSFHBZYIFR-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623656830 349857764 /nfs/dbraw/zinc/85/77/64/349857764.db2.gz CPNYWNMXQNLSHL-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000423287576 282307917 /nfs/dbraw/zinc/30/79/17/282307917.db2.gz NBOKTMDZAZPIPG-KRWDZBQOSA-N 1 3 274.452 3.423 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000423270323 529986186 /nfs/dbraw/zinc/98/61/86/529986186.db2.gz HSKKBSGTSLCSMC-NVXWUHKLSA-N 1 3 262.441 3.089 20 0 CGADHO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037649417 344951812 /nfs/dbraw/zinc/95/18/12/344951812.db2.gz ZMBWCOGXWSTDPR-LSDHHAIUSA-N 1 3 288.435 3.139 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000044517794 345012326 /nfs/dbraw/zinc/01/23/26/345012326.db2.gz OUCDHIUXPWHDEL-ZDUSSCGKSA-N 1 3 294.414 3.217 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2ccccc2F)CC1 ZINC000044517496 345012422 /nfs/dbraw/zinc/01/24/22/345012422.db2.gz FDSIUQMDXJTXND-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(C)C)C2)s1 ZINC000045135186 345021121 /nfs/dbraw/zinc/02/11/21/345021121.db2.gz XBCDBTMPGWBPPO-ZDUSSCGKSA-N 1 3 266.454 3.130 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000093453053 232181138 /nfs/dbraw/zinc/18/11/38/232181138.db2.gz YILDVGRGQWSHJX-SOUVJXGZSA-N 1 3 264.438 3.067 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000071120182 345401724 /nfs/dbraw/zinc/40/17/24/345401724.db2.gz KBBKJRIZVKSTGR-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO COC1CC[NH+](CCNc2cc(C)nc3ccccc32)CC1 ZINC000080250043 345670097 /nfs/dbraw/zinc/67/00/97/345670097.db2.gz FRDVWWPFTHVTIU-UHFFFAOYSA-N 1 3 299.418 3.066 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1cccnc1 ZINC000091288458 345809870 /nfs/dbraw/zinc/80/98/70/345809870.db2.gz JJKVFGOFYWQOEW-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(OC(F)F)cc1 ZINC000584714652 346709801 /nfs/dbraw/zinc/70/98/01/346709801.db2.gz WOEBMMLPTLFVIJ-GJZGRUSLSA-N 1 3 298.377 3.080 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119868 349977219 /nfs/dbraw/zinc/97/72/19/349977219.db2.gz LBXWHFOAIAORCZ-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120806 349979012 /nfs/dbraw/zinc/97/90/12/349979012.db2.gz HHBKXCWQPOJCBZ-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000624121658 349979654 /nfs/dbraw/zinc/97/96/54/349979654.db2.gz AJNCRGGPKIFHHM-PKOBYXMFSA-N 1 3 286.463 3.329 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122144 349980214 /nfs/dbraw/zinc/98/02/14/349980214.db2.gz KTWYWANWYOWOBY-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121910 349980116 /nfs/dbraw/zinc/98/01/16/349980116.db2.gz FWJXLVDGQHGPTM-GOEBONIOSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000624121401 349978433 /nfs/dbraw/zinc/97/84/33/349978433.db2.gz VJQZGDNJDQWLBU-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000624123011 349981151 /nfs/dbraw/zinc/98/11/51/349981151.db2.gz DCPWQTZJPIXXHR-CRAIPNDOSA-N 1 3 287.451 3.244 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122501 349981012 /nfs/dbraw/zinc/98/10/12/349981012.db2.gz SWMZNWSBTGILKR-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624122501 349981013 /nfs/dbraw/zinc/98/10/13/349981013.db2.gz SWMZNWSBTGILKR-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624122501 349981017 /nfs/dbraw/zinc/98/10/17/349981017.db2.gz SWMZNWSBTGILKR-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1nc2ccccc2o1 ZINC000606363788 348177336 /nfs/dbraw/zinc/17/73/36/348177336.db2.gz IPXCLDUJXREBAD-AWEZNQCLSA-N 1 3 289.423 3.428 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122739 349982050 /nfs/dbraw/zinc/98/20/50/349982050.db2.gz ZULFXRYUESZALC-NEPJUHHUSA-N 1 3 266.351 3.039 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000624123144 349982135 /nfs/dbraw/zinc/98/21/35/349982135.db2.gz GNHOMJQOENPFAN-HOTGVXAUSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123247 349983282 /nfs/dbraw/zinc/98/32/82/349983282.db2.gz IQLDPDLPWWDRPO-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO Fc1ccc(F)c(CNCCCCC[NH+]2CCCC2)c1 ZINC000339498100 215210531 /nfs/dbraw/zinc/21/05/31/215210531.db2.gz OOPUEYKKORWPTD-UHFFFAOYSA-N 1 3 282.378 3.321 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000624309345 350023133 /nfs/dbraw/zinc/02/31/33/350023133.db2.gz KGIDDWBZFVRXNK-XYVMCAHJSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1nc(C)c(CNCC2CC[NH+](CCC(C)C)CC2)o1 ZINC000628226217 350449511 /nfs/dbraw/zinc/44/95/11/350449511.db2.gz FBYHEETWOKZNOI-UHFFFAOYSA-N 1 3 293.455 3.139 20 0 CGADHO Cc1ncc(CNC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000628229823 350450904 /nfs/dbraw/zinc/45/09/04/350450904.db2.gz JNGJOFMYVXOIRI-UHFFFAOYSA-N 1 3 291.439 3.116 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628208145 350440212 /nfs/dbraw/zinc/44/02/12/350440212.db2.gz AHWMMQHASVXHDI-DLBZAZTESA-N 1 3 274.452 3.420 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000628425254 350535955 /nfs/dbraw/zinc/53/59/55/350535955.db2.gz FTIUKAPYVXFEMA-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNCCc2ccc(Cl)cc2)C1 ZINC000628425254 350535959 /nfs/dbraw/zinc/53/59/59/350535959.db2.gz FTIUKAPYVXFEMA-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNCCc2ccc(Cl)cc2)C1 ZINC000628425254 350535963 /nfs/dbraw/zinc/53/59/63/350535963.db2.gz FTIUKAPYVXFEMA-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO Cc1ccc([C@H](NCCOCCC[NH3+])c2ccccc2)cc1 ZINC000629536383 350705667 /nfs/dbraw/zinc/70/56/67/350705667.db2.gz GWWAMCLQLAOSEW-LJQANCHMSA-N 1 3 298.430 3.039 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CC[C@H](C)NC1)c1ccc(OC)cc1 ZINC000629540970 350707904 /nfs/dbraw/zinc/70/79/04/350707904.db2.gz ZEOPHYKWGPXWME-QRTARXTBSA-N 1 3 276.424 3.267 20 0 CGADHO C[C@@H](NCC(C)(C)c1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000629551940 350711997 /nfs/dbraw/zinc/71/19/97/350711997.db2.gz YBEMDRCYXOAQHT-CQSZACIVSA-N 1 3 282.431 3.315 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)c1ccc2ccccc2c1)C1CNC1 ZINC000629551940 350711998 /nfs/dbraw/zinc/71/19/98/350711998.db2.gz YBEMDRCYXOAQHT-CQSZACIVSA-N 1 3 282.431 3.315 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556737 350712605 /nfs/dbraw/zinc/71/26/05/350712605.db2.gz XIPBXPLQSTWCBO-KFWWJZLASA-N 1 3 264.800 3.187 20 0 CGADHO CC1(C)[C@@H](c2ccc(F)cc2)CCN1C[C@H]1CC[NH2+]C1 ZINC000629575280 350713534 /nfs/dbraw/zinc/71/35/34/350713534.db2.gz NNRKSXCUKFKTDD-XJKSGUPXSA-N 1 3 276.399 3.003 20 0 CGADHO CCc1ccc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629583679 350715048 /nfs/dbraw/zinc/71/50/48/350715048.db2.gz IWNUNPDCKYRZDY-INIZCTEOSA-N 1 3 272.436 3.038 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418327 350690793 /nfs/dbraw/zinc/69/07/93/350690793.db2.gz WHMZWZFRQHAXGJ-UBDQQSCGSA-N 1 3 272.436 3.128 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629513107 350699858 /nfs/dbraw/zinc/69/98/58/350699858.db2.gz DXRUOMFYIZOFAI-MWQQHZPXSA-N 1 3 272.436 3.156 20 0 CGADHO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000630072473 350806840 /nfs/dbraw/zinc/80/68/40/350806840.db2.gz LYWQVDUJGQIXKD-CYBMUJFWSA-N 1 3 260.425 3.247 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](C)CN1CCCC1 ZINC000631570045 351070462 /nfs/dbraw/zinc/07/04/62/351070462.db2.gz OXKSSFRBPNBVIT-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)[C@@H]1CCN ZINC000634688412 351573847 /nfs/dbraw/zinc/57/38/47/351573847.db2.gz ROSKRQUBYMWPII-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@@H]1CCN ZINC000634688412 351573853 /nfs/dbraw/zinc/57/38/53/351573853.db2.gz ROSKRQUBYMWPII-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2ccc3cnccc3c2)C1 ZINC000634733577 351580084 /nfs/dbraw/zinc/58/00/84/351580084.db2.gz IWEUBNPVWVDCLX-QGZVFWFLSA-N 1 3 283.419 3.103 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000635003992 351621754 /nfs/dbraw/zinc/62/17/54/351621754.db2.gz GIIDGKRPDPMUTQ-FVQBIDKESA-N 1 3 290.455 3.138 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006032 351623809 /nfs/dbraw/zinc/62/38/09/351623809.db2.gz KQUWJZJIARWNSY-MSOLQXFVSA-N 1 3 283.419 3.082 20 0 CGADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1cccc2c1CCNC2 ZINC000635007579 351625452 /nfs/dbraw/zinc/62/54/52/351625452.db2.gz DTFKXJYVOKRXAF-NJAFHUGGSA-N 1 3 270.420 3.001 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H](c2cccnc2)C2CCC2)C1 ZINC000635009968 351628802 /nfs/dbraw/zinc/62/88/02/351628802.db2.gz IHEVEMKJQKJIND-IRXDYDNUSA-N 1 3 287.451 3.291 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123632323 187101872 /nfs/dbraw/zinc/10/18/72/187101872.db2.gz MEFGOJRIDPMJFZ-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123632323 187101873 /nfs/dbraw/zinc/10/18/73/187101873.db2.gz MEFGOJRIDPMJFZ-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO CC[C@H](COC)NCc1ccccc1C[N@H+](C)C(C)C ZINC000154878368 188167149 /nfs/dbraw/zinc/16/71/49/188167149.db2.gz NKHDVWFTKAQZDR-QGZVFWFLSA-N 1 3 278.440 3.041 20 0 CGADHO CC[C@H](COC)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000154878368 188167151 /nfs/dbraw/zinc/16/71/51/188167151.db2.gz NKHDVWFTKAQZDR-QGZVFWFLSA-N 1 3 278.440 3.041 20 0 CGADHO Fc1ccc2c(c1)[C@@H](N1CCC([C@H]3CCC[NH2+]3)CC1)CC2 ZINC000420331187 283001120 /nfs/dbraw/zinc/00/11/20/283001120.db2.gz DAPLWGUWHGEWPD-MSOLQXFVSA-N 1 3 288.410 3.277 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000271885205 191389271 /nfs/dbraw/zinc/38/92/71/191389271.db2.gz QPIAFKKBDYYDIS-LBPRGKRZSA-N 1 3 296.361 3.201 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(Cl)s1 ZINC000271894419 191394710 /nfs/dbraw/zinc/39/47/10/191394710.db2.gz SXHBYOIXCGZJRC-SNVBAGLBSA-N 1 3 270.829 3.314 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000271894419 191394713 /nfs/dbraw/zinc/39/47/13/191394713.db2.gz SXHBYOIXCGZJRC-SNVBAGLBSA-N 1 3 270.829 3.314 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176046 235355051 /nfs/dbraw/zinc/35/50/51/235355051.db2.gz HJCSRQIQLKGCIZ-FUTJPDQTSA-N 1 3 296.817 3.407 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176046 235355054 /nfs/dbraw/zinc/35/50/54/235355054.db2.gz HJCSRQIQLKGCIZ-FUTJPDQTSA-N 1 3 296.817 3.407 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000414169614 235352951 /nfs/dbraw/zinc/35/29/51/235352951.db2.gz BDCAMKATJRHRSI-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169614 235352953 /nfs/dbraw/zinc/35/29/53/235352953.db2.gz BDCAMKATJRHRSI-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1occc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000414288382 235380223 /nfs/dbraw/zinc/38/02/23/235380223.db2.gz PVBSJDHEGPYJEA-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1occc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000414288382 235380226 /nfs/dbraw/zinc/38/02/26/235380226.db2.gz PVBSJDHEGPYJEA-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO c1csc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488249 138346247 /nfs/dbraw/zinc/34/62/47/138346247.db2.gz VFBAXFXYRCAWCB-OWCLPIDISA-N 1 3 278.465 3.191 20 0 CGADHO CCc1nc2c(s1)[C@H]([NH2+]CC1CCN(C)CC1)CCC2 ZINC000126287611 138385725 /nfs/dbraw/zinc/38/57/25/138385725.db2.gz AZJLTCYUIREUPE-CYBMUJFWSA-N 1 3 293.480 3.014 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422967986 235950255 /nfs/dbraw/zinc/95/02/55/235950255.db2.gz QCZQOKFIUKUFSO-QAETUUGQSA-N 1 3 258.409 3.040 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422920675 235942349 /nfs/dbraw/zinc/94/23/49/235942349.db2.gz MOWNCBWWCIZDGW-SPOLIRPYSA-N 1 3 284.447 3.128 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423228249 236002937 /nfs/dbraw/zinc/00/29/37/236002937.db2.gz YXBRJEOMQBISBJ-NJZAAPMLSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423228249 236002938 /nfs/dbraw/zinc/00/29/38/236002938.db2.gz YXBRJEOMQBISBJ-NJZAAPMLSA-N 1 3 266.816 3.303 20 0 CGADHO COc1cccc(C[C@H]([NH2+]CC(C)(C)N)c2ccccc2)c1 ZINC000423286437 236024710 /nfs/dbraw/zinc/02/47/10/236024710.db2.gz HGTPPKUCHYCDEF-SFHVURJKSA-N 1 3 298.430 3.306 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423299404 236030171 /nfs/dbraw/zinc/03/01/71/236030171.db2.gz QBTNYBIJZNFSQE-CVEARBPZSA-N 1 3 282.431 3.391 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423303240 236032324 /nfs/dbraw/zinc/03/23/24/236032324.db2.gz IOVLDFHRVYTZLS-WOPDTQHZSA-N 1 3 254.805 3.016 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000423395137 236062119 /nfs/dbraw/zinc/06/21/19/236062119.db2.gz RSDVZHYLXYDXEC-XOYOTBSWSA-N 1 3 288.435 3.014 20 0 CGADHO COc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423354478 236047768 /nfs/dbraw/zinc/04/77/68/236047768.db2.gz GGGRPRPFBOLZFU-ZDUSSCGKSA-N 1 3 282.387 3.149 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCCc3ccccc32)C1 ZINC000423364559 236051224 /nfs/dbraw/zinc/05/12/24/236051224.db2.gz AVFSGTRFXRWJQE-HLLBOEOZSA-N 1 3 258.409 3.314 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)CCN1 ZINC000423367796 236051284 /nfs/dbraw/zinc/05/12/84/236051284.db2.gz DROUPSUQMNRTGJ-HPTBWKMGSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423380864 236057991 /nfs/dbraw/zinc/05/79/91/236057991.db2.gz YZFCGVRPNSYLAY-BPLDGKMQSA-N 1 3 272.392 3.223 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423380864 236057992 /nfs/dbraw/zinc/05/79/92/236057992.db2.gz YZFCGVRPNSYLAY-BPLDGKMQSA-N 1 3 272.392 3.223 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000423406334 236066211 /nfs/dbraw/zinc/06/62/11/236066211.db2.gz UQWRIOIQGKWJPG-XKQJLSEDSA-N 1 3 258.409 3.034 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C2CC2)cc1 ZINC000423406334 236066212 /nfs/dbraw/zinc/06/62/12/236066212.db2.gz UQWRIOIQGKWJPG-XKQJLSEDSA-N 1 3 258.409 3.034 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CCCNC2CC2)c2ccccc21 ZINC000423516636 236091052 /nfs/dbraw/zinc/09/10/52/236091052.db2.gz AYFUGYXCIDNQOU-CXAGYDPISA-N 1 3 258.409 3.357 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccc(F)c(Cl)c1)CC[NH2+]CC2 ZINC000424295108 236143771 /nfs/dbraw/zinc/14/37/71/236143771.db2.gz QRMORGVVRHFNFQ-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC34CC4)CC2)C1 ZINC000424327350 236150580 /nfs/dbraw/zinc/15/05/80/236150580.db2.gz PPMZKSWDZZXFOO-VNQPRFMTSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC34CC4)CC2)C1 ZINC000424327350 236150581 /nfs/dbraw/zinc/15/05/81/236150581.db2.gz PPMZKSWDZZXFOO-VNQPRFMTSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)CN(C)C ZINC000425948351 236275331 /nfs/dbraw/zinc/27/53/31/236275331.db2.gz AIZYEOWJKSFPRK-COXVUDFISA-N 1 3 278.415 3.249 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436303517 237077687 /nfs/dbraw/zinc/07/76/87/237077687.db2.gz CTDXRUBIFDGWOT-JSGCOSHPSA-N 1 3 289.398 3.269 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCOC1CCCC1 ZINC000422830450 296001778 /nfs/dbraw/zinc/00/17/78/296001778.db2.gz RDLOJAAMXZWLPY-JKSUJKDBSA-N 1 3 282.472 3.236 20 0 CGADHO [NH3+]C1(CNCCCSc2ccccc2Cl)CCC1 ZINC000342129688 216229150 /nfs/dbraw/zinc/22/91/50/216229150.db2.gz GYTPVVZREZICEV-UHFFFAOYSA-N 1 3 284.856 3.293 20 0 CGADHO C(CN1CCC[C@]2(CCSC2)C1)C[NH+]1CCCCC1 ZINC000451988416 240391528 /nfs/dbraw/zinc/39/15/28/240391528.db2.gz ZYKMNYBFTUQYSZ-INIZCTEOSA-N 1 3 282.497 3.082 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cc(F)cc(F)c1 ZINC000423276894 299366624 /nfs/dbraw/zinc/36/66/24/299366624.db2.gz OZWWGBYBWHZVKZ-FIXISWKDSA-N 1 3 268.351 3.133 20 0 CGADHO CC(C)c1ncc(CNCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459722888 242192799 /nfs/dbraw/zinc/19/27/99/242192799.db2.gz CFNJNTXJYSRESU-ZDUSSCGKSA-N 1 3 281.469 3.088 20 0 CGADHO CC(C)c1ncc(CNCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459722888 242192801 /nfs/dbraw/zinc/19/28/01/242192801.db2.gz CFNJNTXJYSRESU-ZDUSSCGKSA-N 1 3 281.469 3.088 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C(C)(C)c1ccccc1 ZINC000423366674 299377755 /nfs/dbraw/zinc/37/77/55/299377755.db2.gz BZTJSNPYFVPWDQ-NUEKZKHPSA-N 1 3 260.425 3.212 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000477137623 243035322 /nfs/dbraw/zinc/03/53/22/243035322.db2.gz VWQJIEDLJDOEPC-UKRRQHHQSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000477137623 243035327 /nfs/dbraw/zinc/03/53/27/243035327.db2.gz VWQJIEDLJDOEPC-UKRRQHHQSA-N 1 3 297.446 3.422 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(F)c1 ZINC000019905900 368778790 /nfs/dbraw/zinc/77/87/90/368778790.db2.gz ZVBVMHZEQODWPW-LBPRGKRZSA-N 1 3 252.377 3.064 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000019914973 368783611 /nfs/dbraw/zinc/78/36/11/368783611.db2.gz KOOGQGQKMCLURA-CABCVRRESA-N 1 3 263.429 3.243 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035012035 368989737 /nfs/dbraw/zinc/98/97/37/368989737.db2.gz BEBGFTUHKCLJNX-VQIMIIECSA-N 1 3 286.463 3.398 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000037644621 369095433 /nfs/dbraw/zinc/09/54/33/369095433.db2.gz LYSAKBWPPCRDND-NVXWUHKLSA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccccc2)C(C)C)C1 ZINC000037644621 369095438 /nfs/dbraw/zinc/09/54/38/369095438.db2.gz LYSAKBWPPCRDND-NVXWUHKLSA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccccc2)C(C)C)C1 ZINC000037644621 369095441 /nfs/dbraw/zinc/09/54/41/369095441.db2.gz LYSAKBWPPCRDND-NVXWUHKLSA-N 1 3 260.425 3.315 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037649204 369095553 /nfs/dbraw/zinc/09/55/53/369095553.db2.gz HJJDWXMUROFLLT-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649204 369095560 /nfs/dbraw/zinc/09/55/60/369095560.db2.gz HJJDWXMUROFLLT-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO CC[NH+]1CCC(NCc2ccc3ccccc3c2)CC1 ZINC000037976757 369129423 /nfs/dbraw/zinc/12/94/23/369129423.db2.gz GKJHRQSRXOBZPO-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000494995963 244346267 /nfs/dbraw/zinc/34/62/67/244346267.db2.gz MXHXGQICCFWSIT-NPCUJANDSA-N 1 3 264.457 3.274 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049553323 369408632 /nfs/dbraw/zinc/40/86/32/369408632.db2.gz DVZFTNWUJIGQJZ-ZIAGYGMSSA-N 1 3 264.413 3.076 20 0 CGADHO CCc1ccc(CN[C@H](C)CCC[NH+](CC)CC)o1 ZINC000051721365 369453057 /nfs/dbraw/zinc/45/30/57/369453057.db2.gz JPAHFWOJROPGKQ-CQSZACIVSA-N 1 3 266.429 3.442 20 0 CGADHO c1cc2c(s1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061328131 369598082 /nfs/dbraw/zinc/59/80/82/369598082.db2.gz RONVZYJODIUQJS-WFASDCNBSA-N 1 3 276.449 3.199 20 0 CGADHO c1cc2c(s1)CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061328131 369598090 /nfs/dbraw/zinc/59/80/90/369598090.db2.gz RONVZYJODIUQJS-WFASDCNBSA-N 1 3 276.449 3.199 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)N(C)CC(C)(C)C[NH3+] ZINC000062018262 369615000 /nfs/dbraw/zinc/61/50/00/369615000.db2.gz FBDRLFCMKOEARW-NSHDSACASA-N 1 3 254.805 3.318 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(C)(C)CN ZINC000062018262 369615002 /nfs/dbraw/zinc/61/50/02/369615002.db2.gz FBDRLFCMKOEARW-NSHDSACASA-N 1 3 254.805 3.318 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(C)(C)CN ZINC000062018262 369615006 /nfs/dbraw/zinc/61/50/06/369615006.db2.gz FBDRLFCMKOEARW-NSHDSACASA-N 1 3 254.805 3.318 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000085128179 370016785 /nfs/dbraw/zinc/01/67/85/370016785.db2.gz DUKSOTDYVHLFQE-CHWSQXEVSA-N 1 3 278.362 3.183 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc2ccccc21 ZINC000089150537 370037804 /nfs/dbraw/zinc/03/78/04/370037804.db2.gz YZKMVQDGKIYLDU-RHSMWYFYSA-N 1 3 254.377 3.057 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089150537 370037808 /nfs/dbraw/zinc/03/78/08/370037808.db2.gz YZKMVQDGKIYLDU-RHSMWYFYSA-N 1 3 254.377 3.057 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cc(C)ccc1OC ZINC000093399171 370121925 /nfs/dbraw/zinc/12/19/25/370121925.db2.gz KOOARLQPIYCFPJ-RDJZCZTQSA-N 1 3 290.451 3.386 20 0 CGADHO Cc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)CN(C)C)CCC2 ZINC000132158765 371155789 /nfs/dbraw/zinc/15/57/89/371155789.db2.gz MHODEFFSVLFEDL-LBPRGKRZSA-N 1 3 281.469 3.006 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000537852085 376205088 /nfs/dbraw/zinc/20/50/88/376205088.db2.gz UMLHTOPBCOOWFJ-BRWVUGGUSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000537852085 376205093 /nfs/dbraw/zinc/20/50/93/376205093.db2.gz UMLHTOPBCOOWFJ-BRWVUGGUSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000423369929 299424654 /nfs/dbraw/zinc/42/46/54/299424654.db2.gz CSKIJTFZCIWYGY-CJQNXBEJSA-N 1 3 292.389 3.474 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559310 371614400 /nfs/dbraw/zinc/61/44/00/371614400.db2.gz ASSAGBNZAPFWEE-UMVBOHGHSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559310 371614405 /nfs/dbraw/zinc/61/44/05/371614405.db2.gz ASSAGBNZAPFWEE-UMVBOHGHSA-N 1 3 296.842 3.180 20 0 CGADHO CC[C@@H](C)[N@H+](C)CCNc1ccnc2ccccc21 ZINC000220296798 376208268 /nfs/dbraw/zinc/20/82/68/376208268.db2.gz IQVLPYRKNDYPBW-CYBMUJFWSA-N 1 3 257.381 3.377 20 0 CGADHO CC[C@@H](C)[N@@H+](C)CCNc1ccnc2ccccc21 ZINC000220296798 376208274 /nfs/dbraw/zinc/20/82/74/376208274.db2.gz IQVLPYRKNDYPBW-CYBMUJFWSA-N 1 3 257.381 3.377 20 0 CGADHO Cc1ccc(SCCN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422762958 371792035 /nfs/dbraw/zinc/79/20/35/371792035.db2.gz IOAGFSWKOCSOQX-ZBFHGGJFSA-N 1 3 278.465 3.194 20 0 CGADHO Cc1ccc(SCC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422762958 371792039 /nfs/dbraw/zinc/79/20/39/371792039.db2.gz IOAGFSWKOCSOQX-ZBFHGGJFSA-N 1 3 278.465 3.194 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000422707383 371761923 /nfs/dbraw/zinc/76/19/23/371761923.db2.gz WNQDDSSBRRWRFA-IPYPFGDCSA-N 1 3 275.440 3.326 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422717735 371766145 /nfs/dbraw/zinc/76/61/45/371766145.db2.gz PATIYPSMIDAVFZ-FZKCQIBNSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422715235 371766420 /nfs/dbraw/zinc/76/64/20/371766420.db2.gz SBKDVZKDGXDVOW-ILOCAZANSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(COc2ccccc2)c1 ZINC000422730860 371772817 /nfs/dbraw/zinc/77/28/17/371772817.db2.gz KOPGTXVLIFDIJE-JKSUJKDBSA-N 1 3 298.430 3.481 20 0 CGADHO COc1cc(F)c([C@H](C)N[C@H](C)CCCC[NH3+])cc1OC ZINC000422736002 371775102 /nfs/dbraw/zinc/77/51/02/371775102.db2.gz VLPIPFKTNWBRAR-NEPJUHHUSA-N 1 3 298.402 3.011 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422736189 371775366 /nfs/dbraw/zinc/77/53/66/371775366.db2.gz FTKFOLYCEJRQNJ-CABCVRRESA-N 1 3 297.446 3.439 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000422738383 371777708 /nfs/dbraw/zinc/77/77/08/371777708.db2.gz JQFFQBVBQPDDLT-OLZOCXBDSA-N 1 3 266.454 3.003 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC(c1ccccc1)c1ccccc1 ZINC000422755620 371786470 /nfs/dbraw/zinc/78/64/70/371786470.db2.gz KRYKJLNDLAFCEX-RBUKOAKNSA-N 1 3 280.415 3.288 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(F)cc1Cl ZINC000422754680 371787304 /nfs/dbraw/zinc/78/73/04/371787304.db2.gz JWQJAJQBQOJDJC-UWVGGRQHSA-N 1 3 258.768 3.257 20 0 CGADHO CC(C)OC[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000337338622 214017035 /nfs/dbraw/zinc/01/70/35/214017035.db2.gz NXJHCLQEVCXQIO-INIZCTEOSA-N 1 3 290.451 3.186 20 0 CGADHO Clc1ccc(CCC[NH2+]C2CCNCC2)c(Cl)c1 ZINC000422817300 371829393 /nfs/dbraw/zinc/82/93/93/371829393.db2.gz CUCDWNPPHQHRJM-UHFFFAOYSA-N 1 3 287.234 3.268 20 0 CGADHO Clc1ccc(CCCNC2CC[NH2+]CC2)c(Cl)c1 ZINC000422817300 371829398 /nfs/dbraw/zinc/82/93/98/371829398.db2.gz CUCDWNPPHQHRJM-UHFFFAOYSA-N 1 3 287.234 3.268 20 0 CGADHO C[C@@H](NCCCc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422826609 371830388 /nfs/dbraw/zinc/83/03/88/371830388.db2.gz RBIKFIYIMPBJKQ-SNVBAGLBSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@@H]([NH2+]CCCc1ccc(Cl)cc1Cl)C1CNC1 ZINC000422826609 371830396 /nfs/dbraw/zinc/83/03/96/371830396.db2.gz RBIKFIYIMPBJKQ-SNVBAGLBSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825277 371830787 /nfs/dbraw/zinc/83/07/87/371830787.db2.gz JHVRBLNNQGUORH-FIXISWKDSA-N 1 3 298.377 3.381 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828652 371831572 /nfs/dbraw/zinc/83/15/72/371831572.db2.gz ORZAKSRJHZIHDB-QLFBSQMISA-N 1 3 296.361 3.135 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000422772158 371797693 /nfs/dbraw/zinc/79/76/93/371797693.db2.gz YXTPRHZAPBIPLH-GJZGRUSLSA-N 1 3 262.441 3.458 20 0 CGADHO CC(C)c1ccc(CCCN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422772158 371797697 /nfs/dbraw/zinc/79/76/97/371797697.db2.gz YXTPRHZAPBIPLH-GJZGRUSLSA-N 1 3 262.441 3.458 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C(C)(C)c1ccccc1 ZINC000422781534 371802621 /nfs/dbraw/zinc/80/26/21/371802621.db2.gz KWGJJKDKKWFSAL-YCPHGPKFSA-N 1 3 262.441 3.458 20 0 CGADHO C[C@H](OCCC[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422786106 371808437 /nfs/dbraw/zinc/80/84/37/371808437.db2.gz OLRAOYDJEZMBJB-XYJFISCASA-N 1 3 290.451 3.132 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc(F)cc1F ZINC000422798601 371816766 /nfs/dbraw/zinc/81/67/66/371816766.db2.gz RXPMEFPHQOADNY-WQGACYEGSA-N 1 3 282.378 3.175 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)C[C@@H](C)N)cc1 ZINC000422804582 371820446 /nfs/dbraw/zinc/82/04/46/371820446.db2.gz HPFPLTMKZGNWHT-AHCXZYCDSA-N 1 3 290.451 3.178 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422804582 371820455 /nfs/dbraw/zinc/82/04/55/371820455.db2.gz HPFPLTMKZGNWHT-AHCXZYCDSA-N 1 3 290.451 3.178 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1cccc(F)c1 ZINC000422855672 371843515 /nfs/dbraw/zinc/84/35/15/371843515.db2.gz VSSALMDSGMSPBK-LXZKKBNFSA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422855672 371843520 /nfs/dbraw/zinc/84/35/20/371843520.db2.gz VSSALMDSGMSPBK-LXZKKBNFSA-N 1 3 294.414 3.090 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875185 371848473 /nfs/dbraw/zinc/84/84/73/371848473.db2.gz CDXQPSWEBLDXSR-ZIAGYGMSSA-N 1 3 270.779 3.229 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(OCc2ccccc2)c1 ZINC000422894110 371857183 /nfs/dbraw/zinc/85/71/83/371857183.db2.gz SAVUABFMSRIWOJ-HZPDHXFCSA-N 1 3 298.430 3.481 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954205 371861557 /nfs/dbraw/zinc/86/15/57/371861557.db2.gz ICDUKEHSFBMILO-NVXWUHKLSA-N 1 3 290.451 3.171 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954205 371861562 /nfs/dbraw/zinc/86/15/62/371861562.db2.gz ICDUKEHSFBMILO-NVXWUHKLSA-N 1 3 290.451 3.171 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000422914903 371865559 /nfs/dbraw/zinc/86/55/59/371865559.db2.gz WKVABSLRJZCLKP-FJJYHAOUSA-N 1 3 284.831 3.131 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCc3ccccc32)c2ccccc21 ZINC000422912446 371865700 /nfs/dbraw/zinc/86/57/00/371865700.db2.gz WCVQMFMGSYTZEH-NIKGAXFTSA-N 1 3 278.399 3.451 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1Cl ZINC000422948098 371886410 /nfs/dbraw/zinc/88/64/10/371886410.db2.gz ZQYWIZABIRQJQT-UONOGXRCSA-N 1 3 282.815 3.098 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422925779 371874123 /nfs/dbraw/zinc/87/41/23/371874123.db2.gz BSMAQSAFRILVMI-IAGOWNOFSA-N 1 3 260.425 3.096 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422948551 371887171 /nfs/dbraw/zinc/88/71/71/371887171.db2.gz SICXAVLECJIAGT-XJKSGUPXSA-N 1 3 280.843 3.250 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1cccc2ccccc21 ZINC000422944440 371883247 /nfs/dbraw/zinc/88/32/47/371883247.db2.gz MGQWSEVPEONKBU-AEFFLSMTSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422944440 371883250 /nfs/dbraw/zinc/88/32/50/371883250.db2.gz MGQWSEVPEONKBU-AEFFLSMTSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422941285 371883324 /nfs/dbraw/zinc/88/33/24/371883324.db2.gz UXSPFPWRWGRSHM-IUODEOHRSA-N 1 3 274.433 3.161 20 0 CGADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422850362 371841389 /nfs/dbraw/zinc/84/13/89/371841389.db2.gz CZUOZJOMBANSNT-HZPDHXFCSA-N 1 3 296.455 3.438 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000422855328 371842373 /nfs/dbraw/zinc/84/23/73/371842373.db2.gz CHJKUCRHGNWWTH-RDJZCZTQSA-N 1 3 274.452 3.380 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423055727 371937907 /nfs/dbraw/zinc/93/79/07/371937907.db2.gz WKEAQKHDBDRXSM-NWDGAFQWSA-N 1 3 270.367 3.003 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccc(Cl)c1Cl ZINC000422951384 371888212 /nfs/dbraw/zinc/88/82/12/371888212.db2.gz YJYQZMKUVZLRRE-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951384 371888215 /nfs/dbraw/zinc/88/82/15/371888215.db2.gz YJYQZMKUVZLRRE-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422966569 371895741 /nfs/dbraw/zinc/89/57/41/371895741.db2.gz NTAWFCVXYFSHKW-QCRHNUIXSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000422977742 371899237 /nfs/dbraw/zinc/89/92/37/371899237.db2.gz XNOLITJSYKFPLR-OWYJLGKBSA-N 1 3 275.440 3.326 20 0 CGADHO Cc1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422984017 371901019 /nfs/dbraw/zinc/90/10/19/371901019.db2.gz WHIPTSQYTKMUJP-ROUUACIJSA-N 1 3 266.388 3.272 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422982479 371901931 /nfs/dbraw/zinc/90/19/31/371901931.db2.gz QVPOGFNDCQSYOG-MPGHIAIKSA-N 1 3 290.451 3.186 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981532 371902268 /nfs/dbraw/zinc/90/22/68/371902268.db2.gz ORFKTTFJCZFFNA-LSDHHAIUSA-N 1 3 258.365 3.182 20 0 CGADHO CCCOc1cccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422988562 371903987 /nfs/dbraw/zinc/90/39/87/371903987.db2.gz JGPDUSPFSAKWAC-ROUUACIJSA-N 1 3 290.451 3.268 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(CCO)CCCCC1 ZINC000423008213 371912934 /nfs/dbraw/zinc/91/29/34/371912934.db2.gz STCPBHOIHSBYFR-IAGOWNOFSA-N 1 3 296.499 3.220 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423025681 371921885 /nfs/dbraw/zinc/92/18/85/371921885.db2.gz OZOSFMWFCJMTNU-BBRMVZONSA-N 1 3 292.854 3.479 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C[C@@H]1CCCCO1 ZINC000423040262 371928401 /nfs/dbraw/zinc/92/84/01/371928401.db2.gz SVVPXLUOLBJACH-WNRNVDISSA-N 1 3 294.483 3.236 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092458 371958858 /nfs/dbraw/zinc/95/88/58/371958858.db2.gz BYRGYIYAKQPWMC-UHXUCMFUSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092458 371958863 /nfs/dbraw/zinc/95/88/63/371958863.db2.gz BYRGYIYAKQPWMC-UHXUCMFUSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095612 371960316 /nfs/dbraw/zinc/96/03/16/371960316.db2.gz FSPPSSJLNOKDFN-YSARLGLZSA-N 1 3 284.806 3.441 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095612 371960324 /nfs/dbraw/zinc/96/03/24/371960324.db2.gz FSPPSSJLNOKDFN-YSARLGLZSA-N 1 3 284.806 3.441 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096792 371960472 /nfs/dbraw/zinc/96/04/72/371960472.db2.gz PVNSSIMSDSHVHI-PYTWLRIVSA-N 1 3 276.399 3.321 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423105280 371967453 /nfs/dbraw/zinc/96/74/53/371967453.db2.gz YWRUEDRXHGLPAO-NGFQHRJXSA-N 1 3 264.800 3.055 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423115519 371973775 /nfs/dbraw/zinc/97/37/75/371973775.db2.gz YDDJEJAXVVIWKC-YTQUADARSA-N 1 3 297.446 3.487 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000423117211 371974713 /nfs/dbraw/zinc/97/47/13/371974713.db2.gz UHFJFMAITNZLFX-AAVRWANBSA-N 1 3 290.398 3.047 20 0 CGADHO CCSc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423126358 371979381 /nfs/dbraw/zinc/97/93/81/371979381.db2.gz IRIWGGLQDNGYPM-NEPJUHHUSA-N 1 3 252.427 3.014 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCC1(C)C ZINC000423127575 371980445 /nfs/dbraw/zinc/98/04/45/371980445.db2.gz CCUWWRPUPCAQTO-GXTWGEPZSA-N 1 3 275.440 3.326 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC2(C3CCC3)CCC2)c2ccccc21 ZINC000423170505 372002530 /nfs/dbraw/zinc/00/25/30/372002530.db2.gz MHJANBPUVMEAKV-CVEARBPZSA-N 1 3 256.393 3.444 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000423161616 371995672 /nfs/dbraw/zinc/99/56/72/371995672.db2.gz JJWUKFZIZGHWQQ-NEPJUHHUSA-N 1 3 263.429 3.324 20 0 CGADHO [NH3+][C@H]1C[C@H](NC2CCC3(CC3)CC2)c2ccccc21 ZINC000423074179 371947536 /nfs/dbraw/zinc/94/75/36/371947536.db2.gz KWZBFWWWDOWHQU-HOTGVXAUSA-N 1 3 256.393 3.444 20 0 CGADHO COCCCC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000423081668 371952889 /nfs/dbraw/zinc/95/28/89/371952889.db2.gz BVVSUKQPICRQOK-UXLLHSPISA-N 1 3 278.440 3.260 20 0 CGADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000423194245 372019362 /nfs/dbraw/zinc/01/93/62/372019362.db2.gz YQUYTMBWUUEEKG-CQSZACIVSA-N 1 3 287.382 3.051 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)NCCC[NH2+]C ZINC000423197850 372020752 /nfs/dbraw/zinc/02/07/52/372020752.db2.gz BMQLKMITNFQMDL-CYBMUJFWSA-N 1 3 286.872 3.410 20 0 CGADHO NC1(C[NH2+][C@@H]2CCc3ccccc32)CCCCCC1 ZINC000423198148 372023918 /nfs/dbraw/zinc/02/39/18/372023918.db2.gz DJVIZJZEBKJPMB-MRXNPFEDSA-N 1 3 258.409 3.315 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCCCCC1)CC2 ZINC000423198534 372023951 /nfs/dbraw/zinc/02/39/51/372023951.db2.gz GKGDLDDCWOSYKE-QGZVFWFLSA-N 1 3 288.435 3.324 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C[C@@H]1C ZINC000423400483 372060325 /nfs/dbraw/zinc/06/03/25/372060325.db2.gz VNNUAAVZVUFIEI-IIYDPXPESA-N 1 3 258.409 3.204 20 0 CGADHO COc1ccc2cc([C@H](C)NC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000423206035 372029017 /nfs/dbraw/zinc/02/90/17/372029017.db2.gz FPXYTCXBTMZLQN-GJZGRUSLSA-N 1 3 298.430 3.499 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C1CC1 ZINC000423212978 372033487 /nfs/dbraw/zinc/03/34/87/372033487.db2.gz JLCUOYPTERBVLI-KBMXLJTQSA-N 1 3 252.446 3.179 20 0 CGADHO Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000423215455 372035941 /nfs/dbraw/zinc/03/59/41/372035941.db2.gz NYUJKGZBBQETQO-IMJJTQAJSA-N 1 3 278.827 3.003 20 0 CGADHO CC(C)C[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000423219407 372038025 /nfs/dbraw/zinc/03/80/25/372038025.db2.gz WMJHMROCRKVTPN-UONOGXRCSA-N 1 3 266.454 3.425 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H]1CCCNC1)c1cccs1 ZINC000423219407 372038032 /nfs/dbraw/zinc/03/80/32/372038032.db2.gz WMJHMROCRKVTPN-UONOGXRCSA-N 1 3 266.454 3.425 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCC[C@H](C)[NH3+] ZINC000423224179 372042572 /nfs/dbraw/zinc/04/25/72/372042572.db2.gz ILFRESBAESFIIQ-TUAOUCFPSA-N 1 3 277.437 3.115 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc2ccccc2n1 ZINC000423277242 372045850 /nfs/dbraw/zinc/04/58/50/372045850.db2.gz OBIBBDOMPIWTEQ-YEWWUXTCSA-N 1 3 283.419 3.403 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423294657 372048119 /nfs/dbraw/zinc/04/81/19/372048119.db2.gz CNJHTCLOVQBGFN-RISCZKNCSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCCc2c3ccccc3sc21 ZINC000423294657 372048121 /nfs/dbraw/zinc/04/81/21/372048121.db2.gz CNJHTCLOVQBGFN-RISCZKNCSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCN1 ZINC000423374956 372055704 /nfs/dbraw/zinc/05/57/04/372055704.db2.gz KHKRGFUJYSJANX-DDBAPUKQSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000423370857 372055724 /nfs/dbraw/zinc/05/57/24/372055724.db2.gz DXOFVCAUNRPTCZ-YHUYYLMFSA-N 1 3 252.446 3.321 20 0 CGADHO CCc1nc2c(s1)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180618 372058739 /nfs/dbraw/zinc/05/87/39/372058739.db2.gz RGJVYERGSRAJMI-STQMWFEESA-N 1 3 293.480 3.014 20 0 CGADHO CCc1nc2c(s1)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180618 372058746 /nfs/dbraw/zinc/05/87/46/372058746.db2.gz RGJVYERGSRAJMI-STQMWFEESA-N 1 3 293.480 3.014 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423177867 372006935 /nfs/dbraw/zinc/00/69/35/372006935.db2.gz JUYBLUKDVWEQGD-CQSZACIVSA-N 1 3 276.424 3.398 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1cccc(-c2ccncc2)c1 ZINC000423182453 372010583 /nfs/dbraw/zinc/01/05/83/372010583.db2.gz KKAQDAAWIXHNAB-AWEZNQCLSA-N 1 3 281.403 3.151 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)s1 ZINC000423181771 372011464 /nfs/dbraw/zinc/01/14/64/372011464.db2.gz PMVATBIRQNVZND-LBPRGKRZSA-N 1 3 252.427 3.369 20 0 CGADHO CCCN1CCN(c2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000158718953 372081345 /nfs/dbraw/zinc/08/13/45/372081345.db2.gz RTBUOMRWJJVKJJ-UHFFFAOYSA-N 1 3 289.467 3.059 20 0 CGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000158718953 372081350 /nfs/dbraw/zinc/08/13/50/372081350.db2.gz RTBUOMRWJJVKJJ-UHFFFAOYSA-N 1 3 289.467 3.059 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370093 372085010 /nfs/dbraw/zinc/08/50/10/372085010.db2.gz CQQLKQCAXASUQO-HFBAOOFYSA-N 1 3 282.378 3.145 20 0 CGADHO [NH3+]C[C@@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000430958685 372410391 /nfs/dbraw/zinc/41/03/91/372410391.db2.gz YWUXNPOQXLYIMD-LBPRGKRZSA-N 1 3 284.856 3.103 20 0 CGADHO CC[NH+]1CCC(CCNCc2cc(OC)ccc2F)CC1 ZINC000293666973 372442299 /nfs/dbraw/zinc/44/22/99/372442299.db2.gz UMVVDLZRBHLYKA-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CCN1CCC([NH2+]Cc2ccc(C3CC3)cc2F)CC1 ZINC000293688406 372451379 /nfs/dbraw/zinc/45/13/79/372451379.db2.gz NNTAYDHTLHMRAS-UHFFFAOYSA-N 1 3 276.399 3.277 20 0 CGADHO CC[C@@H](NCCCCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000164611954 372526152 /nfs/dbraw/zinc/52/61/52/372526152.db2.gz HQWXWSVQPDSAAG-QGZVFWFLSA-N 1 3 292.471 3.117 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000166486672 372573806 /nfs/dbraw/zinc/57/38/06/372573806.db2.gz QKBUUOIATWZZPT-YYIAUSFCSA-N 1 3 264.457 3.418 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000294236485 372622250 /nfs/dbraw/zinc/62/22/50/372622250.db2.gz OSMJLXRVTHFNRU-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO CCN(Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435393477 372758993 /nfs/dbraw/zinc/75/89/93/372758993.db2.gz ZZLAOORFLRTJHX-HNNXBMFYSA-N 1 3 266.816 3.304 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000437108075 372845450 /nfs/dbraw/zinc/84/54/50/372845450.db2.gz MCKMMBZYEQVBNU-AVGNSLFASA-N 1 3 278.362 3.180 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000437108075 372845456 /nfs/dbraw/zinc/84/54/56/372845456.db2.gz MCKMMBZYEQVBNU-AVGNSLFASA-N 1 3 278.362 3.180 20 0 CGADHO CC[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](CC)C2)C1 ZINC000438476392 372960021 /nfs/dbraw/zinc/96/00/21/372960021.db2.gz FSPWHWVTBJUOEZ-PHZGNYQRSA-N 1 3 252.446 3.086 20 0 CGADHO CC[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](CC)C2)C1 ZINC000438476392 372960023 /nfs/dbraw/zinc/96/00/23/372960023.db2.gz FSPWHWVTBJUOEZ-PHZGNYQRSA-N 1 3 252.446 3.086 20 0 CGADHO CC[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](CC)C2)C1 ZINC000438476392 372960025 /nfs/dbraw/zinc/96/00/25/372960025.db2.gz FSPWHWVTBJUOEZ-PHZGNYQRSA-N 1 3 252.446 3.086 20 0 CGADHO CC[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](CC)C2)C1 ZINC000438476392 372960027 /nfs/dbraw/zinc/96/00/27/372960027.db2.gz FSPWHWVTBJUOEZ-PHZGNYQRSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1N(C)C ZINC000295978972 372981318 /nfs/dbraw/zinc/98/13/18/372981318.db2.gz ONZNHAGGCXQCCQ-WZYMTQMTSA-N 1 3 287.451 3.028 20 0 CGADHO CC[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000353542882 220148557 /nfs/dbraw/zinc/14/85/57/220148557.db2.gz WKSWUJNGNRCFGN-DJIMGWMZSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCSc1ccc(Cl)cc1 ZINC000442757893 373072165 /nfs/dbraw/zinc/07/21/65/373072165.db2.gz NJISYDAKIGUJDP-VXGBXAGGSA-N 1 3 284.856 3.101 20 0 CGADHO C[C@H]1CCC[C@@H](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754231 373073075 /nfs/dbraw/zinc/07/30/75/373073075.db2.gz HVCSHRMPYUFZHM-UIJGJVKASA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)(C)c1ncc(CN2CCC[C@@H](CC[NH3+])C2)s1 ZINC000442925429 373128717 /nfs/dbraw/zinc/12/87/17/373128717.db2.gz VMYWSGZWOFUGKW-LBPRGKRZSA-N 1 3 281.469 3.001 20 0 CGADHO CCc1ccccc1CC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000444634402 373217151 /nfs/dbraw/zinc/21/71/51/373217151.db2.gz ALPUEDHJZRDELI-MRXNPFEDSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000444634402 373217153 /nfs/dbraw/zinc/21/71/53/373217153.db2.gz ALPUEDHJZRDELI-MRXNPFEDSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccccc1CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000444649054 373219716 /nfs/dbraw/zinc/21/97/16/373219716.db2.gz KVZIKEOSJNIRNU-INIZCTEOSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccccc1CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000444649054 373219721 /nfs/dbraw/zinc/21/97/21/373219721.db2.gz KVZIKEOSJNIRNU-INIZCTEOSA-N 1 3 274.452 3.065 20 0 CGADHO CCSCC[C@H](C)N(C)CCC[NH+]1CCCCC1 ZINC000444571329 373204340 /nfs/dbraw/zinc/20/43/40/373204340.db2.gz QHYZJUCZWAMRPK-HNNXBMFYSA-N 1 3 272.502 3.326 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000449090021 373661855 /nfs/dbraw/zinc/66/18/55/373661855.db2.gz FYWJHRXIXZQIRS-CAOSSQGBSA-N 1 3 252.446 3.133 20 0 CGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C)c1 ZINC000177317831 373674974 /nfs/dbraw/zinc/67/49/74/373674974.db2.gz ODNAAGIWAQSQIL-SJORKVTESA-N 1 3 258.409 3.054 20 0 CGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C)c1 ZINC000177317831 373674980 /nfs/dbraw/zinc/67/49/80/373674980.db2.gz ODNAAGIWAQSQIL-SJORKVTESA-N 1 3 258.409 3.054 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178413678 373776640 /nfs/dbraw/zinc/77/66/40/373776640.db2.gz SELUQRCYBHIQJY-JKSUJKDBSA-N 1 3 290.451 3.263 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449524607 373823984 /nfs/dbraw/zinc/82/39/84/373823984.db2.gz RVUUQQAWRNMAFD-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449524607 373823987 /nfs/dbraw/zinc/82/39/87/373823987.db2.gz RVUUQQAWRNMAFD-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000302355346 373855967 /nfs/dbraw/zinc/85/59/67/373855967.db2.gz YZWZPFJNTNEYSJ-OKILXGFUSA-N 1 3 261.413 3.170 20 0 CGADHO Cc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000302355346 373855973 /nfs/dbraw/zinc/85/59/73/373855973.db2.gz YZWZPFJNTNEYSJ-OKILXGFUSA-N 1 3 261.413 3.170 20 0 CGADHO CCSCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000302424906 373866090 /nfs/dbraw/zinc/86/60/90/373866090.db2.gz RJQKYBOHUVGKFH-SOUVJXGZSA-N 1 3 270.486 3.030 20 0 CGADHO COc1ccc([C@H](NCCC[NH+]2CCCC2)C(C)C)cc1 ZINC000179981211 373949762 /nfs/dbraw/zinc/94/97/62/373949762.db2.gz VPBXNTOXWNODKC-GOSISDBHSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc([C@H]([NH2+]CCCN2CCCC2)C(C)C)cc1 ZINC000179981211 373949766 /nfs/dbraw/zinc/94/97/66/373949766.db2.gz VPBXNTOXWNODKC-GOSISDBHSA-N 1 3 290.451 3.468 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C12CCC2 ZINC000181700095 374155777 /nfs/dbraw/zinc/15/57/77/374155777.db2.gz BCAHVRPBQVXERK-YESZJQIVSA-N 1 3 294.483 3.044 20 0 CGADHO C1CC(C([NH2+][C@H]2CCN3CCC[C@@H]3C2)C2CCC2)C1 ZINC000311689023 374253536 /nfs/dbraw/zinc/25/35/36/374253536.db2.gz OICRILGQQDFCTL-JKSUJKDBSA-N 1 3 262.441 3.172 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]C[C@@H](C)CN(C)C ZINC000311580998 374247541 /nfs/dbraw/zinc/24/75/41/374247541.db2.gz WZLDLMWDCBKHQQ-GFCCVEGCSA-N 1 3 260.381 3.029 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000312980954 374296830 /nfs/dbraw/zinc/29/68/30/374296830.db2.gz AZMCYYQVCSPYQR-MRXNPFEDSA-N 1 3 262.441 3.341 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(OC(F)F)c1 ZINC000312528117 374282846 /nfs/dbraw/zinc/28/28/46/374282846.db2.gz PKOLMYCSRLKDCV-NWDGAFQWSA-N 1 3 286.366 3.136 20 0 CGADHO [NH3+]C[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000328202136 374361466 /nfs/dbraw/zinc/36/14/66/374361466.db2.gz SGLMSHFZHJHENR-RLZQMHOASA-N 1 3 292.426 3.374 20 0 CGADHO CC[C@@H](NCCCCC[NH+]1CCCCC1)c1nccn1C ZINC000182961435 374350213 /nfs/dbraw/zinc/35/02/13/374350213.db2.gz PTRSTALOIOXGJK-MRXNPFEDSA-N 1 3 292.471 3.117 20 0 CGADHO CCc1nc2c(s1)[C@H](N[C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000331867553 374548211 /nfs/dbraw/zinc/54/82/11/374548211.db2.gz ZTSCBPLOGSXWLK-RWMBFGLXSA-N 1 3 293.480 3.190 20 0 CGADHO Cc1cccc(C)c1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090469047 541961977 /nfs/dbraw/zinc/96/19/77/541961977.db2.gz CBMGBOYZICMRIC-DLBZAZTESA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cccc(C)c1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090469047 541961983 /nfs/dbraw/zinc/96/19/83/541961983.db2.gz CBMGBOYZICMRIC-DLBZAZTESA-N 1 3 272.436 3.062 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000090798181 541963411 /nfs/dbraw/zinc/96/34/11/541963411.db2.gz QGQNSTOHVZFKJU-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185194441 374609733 /nfs/dbraw/zinc/60/97/33/374609733.db2.gz ZQSJLQUNRWFAAH-IRXDYDNUSA-N 1 3 296.499 3.289 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@H](C)CC[NH+](C)C ZINC000474048422 375074929 /nfs/dbraw/zinc/07/49/29/375074929.db2.gz SBHUSOPQYJTVHY-CXAGYDPISA-N 1 3 290.451 3.347 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000335483056 375322202 /nfs/dbraw/zinc/32/22/02/375322202.db2.gz JAGSRGRNRCLVFJ-GDBMZVCRSA-N 1 3 278.827 3.318 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@H]1NC1CC[NH2+]CC1 ZINC000335483056 375322208 /nfs/dbraw/zinc/32/22/08/375322208.db2.gz JAGSRGRNRCLVFJ-GDBMZVCRSA-N 1 3 278.827 3.318 20 0 CGADHO CCOc1c(Cl)cccc1CNCC1=CC[N@H+](C)CC1 ZINC000487569733 375257582 /nfs/dbraw/zinc/25/75/82/375257582.db2.gz FFSCWZYKCBOAHU-UHFFFAOYSA-N 1 3 294.826 3.090 20 0 CGADHO CCOc1c(Cl)cccc1CNCC1=CC[N@@H+](C)CC1 ZINC000487569733 375257587 /nfs/dbraw/zinc/25/75/87/375257587.db2.gz FFSCWZYKCBOAHU-UHFFFAOYSA-N 1 3 294.826 3.090 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc2c1CCNC2 ZINC000097814180 541995228 /nfs/dbraw/zinc/99/52/28/541995228.db2.gz JPPRVANKUOHQIE-OKILXGFUSA-N 1 3 258.409 3.095 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc2c1CCNC2 ZINC000097814180 541995231 /nfs/dbraw/zinc/99/52/31/541995231.db2.gz JPPRVANKUOHQIE-OKILXGFUSA-N 1 3 258.409 3.095 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000491597535 375336892 /nfs/dbraw/zinc/33/68/92/375336892.db2.gz WKUIZWUILQMARO-LLVKDONJSA-N 1 3 288.357 3.301 20 0 CGADHO Cc1c([C@H](C)[NH2+]CC(C)(C)CN(C)C)cnn1C(C)C ZINC000191103338 375577098 /nfs/dbraw/zinc/57/70/98/375577098.db2.gz VEHNXVWILGKMIX-ZDUSSCGKSA-N 1 3 280.460 3.011 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000116386626 542004120 /nfs/dbraw/zinc/00/41/20/542004120.db2.gz AEAOOEWDQAUZLQ-MSOLQXFVSA-N 1 3 274.452 3.328 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000116386620 542004276 /nfs/dbraw/zinc/00/42/76/542004276.db2.gz AEAOOEWDQAUZLQ-ROUUACIJSA-N 1 3 274.452 3.328 20 0 CGADHO Cc1cccnc1[C@H]([NH2+][C@H](C)C1CCN(C)CC1)C(C)C ZINC000120659439 542012133 /nfs/dbraw/zinc/01/21/33/542012133.db2.gz DXTNQGVVBVSDML-NVXWUHKLSA-N 1 3 289.467 3.407 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000507524712 375711868 /nfs/dbraw/zinc/71/18/68/375711868.db2.gz JSWFPWAKWBRCDX-LSDHHAIUSA-N 1 3 252.446 3.299 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CCCN1CCC(C)CC1 ZINC000128591216 542052073 /nfs/dbraw/zinc/05/20/73/542052073.db2.gz BUCOCRAIYWBKAM-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO FCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000336657331 375896653 /nfs/dbraw/zinc/89/66/53/375896653.db2.gz QAICRMCYWPZYHG-RCCFBDPRSA-N 1 3 290.426 3.236 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000336604402 375866614 /nfs/dbraw/zinc/86/66/14/375866614.db2.gz XAVMZJSBMGHXEQ-GFCCVEGCSA-N 1 3 280.362 3.101 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000193363892 375869682 /nfs/dbraw/zinc/86/96/82/375869682.db2.gz MDAKJRQMGYKNMI-RLFYNMQTSA-N 1 3 289.467 3.327 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363892 375869688 /nfs/dbraw/zinc/86/96/88/375869688.db2.gz MDAKJRQMGYKNMI-RLFYNMQTSA-N 1 3 289.467 3.327 20 0 CGADHO C[C@@H](CC[NH+]1CCC(N(C)C)CC1)c1ccccc1 ZINC000193718709 375914440 /nfs/dbraw/zinc/91/44/40/375914440.db2.gz UTVDVMROZFRNGU-HNNXBMFYSA-N 1 3 260.425 3.206 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000221275072 376214720 /nfs/dbraw/zinc/21/47/20/376214720.db2.gz XVUOFGYVOGGMPW-GJZGRUSLSA-N 1 3 268.404 3.442 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000222224860 376231260 /nfs/dbraw/zinc/23/12/60/376231260.db2.gz XTRTYQYINLXDJB-JKSUJKDBSA-N 1 3 292.442 3.468 20 0 CGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCCCC1 ZINC000538408905 376239664 /nfs/dbraw/zinc/23/96/64/376239664.db2.gz XHQVZJHOUKEVLE-MRXNPFEDSA-N 1 3 250.430 3.197 20 0 CGADHO CCC[C@H](C)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539367669 376307060 /nfs/dbraw/zinc/30/70/60/376307060.db2.gz YXKDUUHTZIEZFC-GVDBMIGSSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C[C@@H]1C ZINC000539510063 376315893 /nfs/dbraw/zinc/31/58/93/376315893.db2.gz WMQFVGUQOADYHW-XIRDDKMYSA-N 1 3 264.457 3.299 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226327166 376352424 /nfs/dbraw/zinc/35/24/24/376352424.db2.gz IUPFEISZYYIURW-OLZOCXBDSA-N 1 3 266.816 3.462 20 0 CGADHO CCN(CC)CCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000338353749 376346178 /nfs/dbraw/zinc/34/61/78/376346178.db2.gz XSIVTCDZRDQDQL-UHFFFAOYSA-N 1 3 273.424 3.332 20 0 CGADHO CCN(CC)CCC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000338353749 376346187 /nfs/dbraw/zinc/34/61/87/376346187.db2.gz XSIVTCDZRDQDQL-UHFFFAOYSA-N 1 3 273.424 3.332 20 0 CGADHO Cc1ccc(CN(C[C@H]2CCC[NH2+]C2)C(C)C)s1 ZINC000226437160 376359483 /nfs/dbraw/zinc/35/94/83/376359483.db2.gz IICBHMXAQKJNQK-AWEZNQCLSA-N 1 3 266.454 3.267 20 0 CGADHO Cc1ccc(C[N@@H+](C[C@H]2CCCNC2)C(C)C)s1 ZINC000226437160 376359487 /nfs/dbraw/zinc/35/94/87/376359487.db2.gz IICBHMXAQKJNQK-AWEZNQCLSA-N 1 3 266.454 3.267 20 0 CGADHO Cc1ccc(C[N@H+](C[C@H]2CCCNC2)C(C)C)s1 ZINC000226437160 376359491 /nfs/dbraw/zinc/35/94/91/376359491.db2.gz IICBHMXAQKJNQK-AWEZNQCLSA-N 1 3 266.454 3.267 20 0 CGADHO Cc1cc(C)cc(OCCCN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227188467 376385853 /nfs/dbraw/zinc/38/58/53/376385853.db2.gz NUBBPBXOYBYXHJ-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000227374896 376393604 /nfs/dbraw/zinc/39/36/04/376393604.db2.gz LODRILPDMIEKSC-RDJZCZTQSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000227374896 376393614 /nfs/dbraw/zinc/39/36/14/376393614.db2.gz LODRILPDMIEKSC-RDJZCZTQSA-N 1 3 260.425 3.184 20 0 CGADHO COc1ccccc1CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000230287908 376501640 /nfs/dbraw/zinc/50/16/40/376501640.db2.gz RCTAZLUSWNOPTB-RDJZCZTQSA-N 1 3 290.451 3.138 20 0 CGADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000542672276 376567076 /nfs/dbraw/zinc/56/70/76/376567076.db2.gz XOZVWDJLBLFWLT-JKSUJKDBSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000542672276 376567084 /nfs/dbraw/zinc/56/70/84/376567084.db2.gz XOZVWDJLBLFWLT-JKSUJKDBSA-N 1 3 292.471 3.115 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137994 376611956 /nfs/dbraw/zinc/61/19/56/376611956.db2.gz CSPKEYDLJYEUSF-CZUORRHYSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137994 376611962 /nfs/dbraw/zinc/61/19/62/376611962.db2.gz CSPKEYDLJYEUSF-CZUORRHYSA-N 1 3 296.405 3.169 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000245443756 376818298 /nfs/dbraw/zinc/81/82/98/376818298.db2.gz JCDWWSZJBRWNAL-RDJZCZTQSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000245443756 376818306 /nfs/dbraw/zinc/81/83/06/376818306.db2.gz JCDWWSZJBRWNAL-RDJZCZTQSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@@H](c1ccccc1)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245443756 376818312 /nfs/dbraw/zinc/81/83/12/376818312.db2.gz JCDWWSZJBRWNAL-RDJZCZTQSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@@H](c1ccccc1)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245443756 376818318 /nfs/dbraw/zinc/81/83/18/376818318.db2.gz JCDWWSZJBRWNAL-RDJZCZTQSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000245443755 376819496 /nfs/dbraw/zinc/81/94/96/376819496.db2.gz JCDWWSZJBRWNAL-DOTOQJQBSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000245443755 376819501 /nfs/dbraw/zinc/81/95/01/376819501.db2.gz JCDWWSZJBRWNAL-DOTOQJQBSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245443755 376819504 /nfs/dbraw/zinc/81/95/04/376819504.db2.gz JCDWWSZJBRWNAL-DOTOQJQBSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245443755 376819510 /nfs/dbraw/zinc/81/95/10/376819510.db2.gz JCDWWSZJBRWNAL-DOTOQJQBSA-N 1 3 260.425 3.411 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000245468695 376824341 /nfs/dbraw/zinc/82/43/41/376824341.db2.gz UAOXXKQRVXXCQU-CVEARBPZSA-N 1 3 260.425 3.458 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000545519931 376829438 /nfs/dbraw/zinc/82/94/38/376829438.db2.gz VCIWIZORWHTNMY-PMPSAXMXSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000545519931 376829443 /nfs/dbraw/zinc/82/94/43/376829443.db2.gz VCIWIZORWHTNMY-PMPSAXMXSA-N 1 3 260.425 3.437 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000245505486 376834229 /nfs/dbraw/zinc/83/42/29/376834229.db2.gz MFFQDQLCQZRMIC-UXLLHSPISA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000245505486 376834234 /nfs/dbraw/zinc/83/42/34/376834234.db2.gz MFFQDQLCQZRMIC-UXLLHSPISA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2C[C@H](C)c3c2cccc3C)C1 ZINC000245505486 376834237 /nfs/dbraw/zinc/83/42/37/376834237.db2.gz MFFQDQLCQZRMIC-UXLLHSPISA-N 1 3 272.436 3.475 20 0 CGADHO CC(C)C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C(C)C ZINC000556600062 376864080 /nfs/dbraw/zinc/86/40/80/376864080.db2.gz DNHDTMAOALGGQL-INIZCTEOSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)C(C)C ZINC000556600062 376864086 /nfs/dbraw/zinc/86/40/86/376864086.db2.gz DNHDTMAOALGGQL-INIZCTEOSA-N 1 3 266.473 3.332 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810704 376912620 /nfs/dbraw/zinc/91/26/20/376912620.db2.gz ZHPXPRPTPKXCAX-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000245810704 376912629 /nfs/dbraw/zinc/91/26/29/376912629.db2.gz ZHPXPRPTPKXCAX-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000245959250 376945433 /nfs/dbraw/zinc/94/54/33/376945433.db2.gz UMQJAXYPRPNOHQ-KBPBESRZSA-N 1 3 280.843 3.375 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000246572460 377056573 /nfs/dbraw/zinc/05/65/73/377056573.db2.gz BWIRKHKOTHSIDH-CZUORRHYSA-N 1 3 264.388 3.303 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000246572460 377056580 /nfs/dbraw/zinc/05/65/80/377056580.db2.gz BWIRKHKOTHSIDH-CZUORRHYSA-N 1 3 264.388 3.303 20 0 CGADHO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000340468860 377081026 /nfs/dbraw/zinc/08/10/26/377081026.db2.gz UVEFTIGUTCIRKT-XOYOTBSWSA-N 1 3 290.426 3.235 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1cncs1 ZINC000340479083 377091116 /nfs/dbraw/zinc/09/11/16/377091116.db2.gz UVZGTIDXMHRNIF-ZDUSSCGKSA-N 1 3 267.442 3.060 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000340502390 377108067 /nfs/dbraw/zinc/10/80/67/377108067.db2.gz SSXCQMKPBNBIBT-OWSLCNJRSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000340502390 377108080 /nfs/dbraw/zinc/10/80/80/377108080.db2.gz SSXCQMKPBNBIBT-OWSLCNJRSA-N 1 3 270.420 3.007 20 0 CGADHO CCC1CC([NH2+]C[C@H]2CCCN(CC(C)C)C2)C1 ZINC000560244578 377132932 /nfs/dbraw/zinc/13/29/32/377132932.db2.gz NLAUOSWSKKGSIB-HWOWSKLDSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC2(C)C)C1 ZINC000560244706 377133666 /nfs/dbraw/zinc/13/36/66/377133666.db2.gz DJQNPMUWKVZXRS-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccs2)C1 ZINC000247225254 377179795 /nfs/dbraw/zinc/17/97/95/377179795.db2.gz XYRUAIILNXITKM-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000247500113 377214301 /nfs/dbraw/zinc/21/43/01/377214301.db2.gz LPNZPVWBGAKGPZ-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000247500113 377214309 /nfs/dbraw/zinc/21/43/09/377214309.db2.gz LPNZPVWBGAKGPZ-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000247500113 377214315 /nfs/dbraw/zinc/21/43/15/377214315.db2.gz LPNZPVWBGAKGPZ-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000562020516 377265856 /nfs/dbraw/zinc/26/58/56/377265856.db2.gz XPGHDVOQWAHGGV-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000248987934 377438061 /nfs/dbraw/zinc/43/80/61/377438061.db2.gz KKLXOHSGNWGBRF-OAGGEKHMSA-N 1 3 282.472 3.044 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000248860523 377415362 /nfs/dbraw/zinc/41/53/62/377415362.db2.gz MDBJXOAXSAVUEY-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000093491720 249038236 /nfs/dbraw/zinc/03/82/36/249038236.db2.gz WQPSTRNGMOVOOT-LVQVYYBASA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000095015727 249043422 /nfs/dbraw/zinc/04/34/22/249043422.db2.gz CKQQBMVDHXCPRR-CRAIPNDOSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000095015727 249043426 /nfs/dbraw/zinc/04/34/26/249043426.db2.gz CKQQBMVDHXCPRR-CRAIPNDOSA-N 1 3 274.452 3.457 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166551391 542174724 /nfs/dbraw/zinc/17/47/24/542174724.db2.gz KBQKCMJGLKHJCL-QXAKKESOSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166551391 542174726 /nfs/dbraw/zinc/17/47/26/542174726.db2.gz KBQKCMJGLKHJCL-QXAKKESOSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000166551391 542174730 /nfs/dbraw/zinc/17/47/30/542174730.db2.gz KBQKCMJGLKHJCL-QXAKKESOSA-N 1 3 286.463 3.451 20 0 CGADHO Fc1ccc(C2(NC[C@@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000469974765 249164622 /nfs/dbraw/zinc/16/46/22/249164622.db2.gz RUEPZGCZFHIPMP-CQSZACIVSA-N 1 3 276.399 3.184 20 0 CGADHO CC1(C)C[N@H+](C[C@@H]2CCCNC2)C[C@@H]1c1ccccc1 ZINC000469984649 249164766 /nfs/dbraw/zinc/16/47/66/249164766.db2.gz UIQSCNFAHNBEJV-NVXWUHKLSA-N 1 3 272.436 3.112 20 0 CGADHO CC1(C)C[N@@H+](C[C@@H]2CCCNC2)C[C@@H]1c1ccccc1 ZINC000469984649 249164767 /nfs/dbraw/zinc/16/47/67/249164767.db2.gz UIQSCNFAHNBEJV-NVXWUHKLSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CCc1ccc2ccccc2c1 ZINC000516781249 249243982 /nfs/dbraw/zinc/24/39/82/249243982.db2.gz DXHWDZFNASJBSV-KSSFIOAISA-N 1 3 268.404 3.194 20 0 CGADHO C[C@H]1C[C@@H](N)CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000516781249 249243986 /nfs/dbraw/zinc/24/39/86/249243986.db2.gz DXHWDZFNASJBSV-KSSFIOAISA-N 1 3 268.404 3.194 20 0 CGADHO C[C@H](c1ccccc1Cl)N(C)CC[C@H]1CC[NH2+]C1 ZINC000251539337 377587143 /nfs/dbraw/zinc/58/71/43/377587143.db2.gz OIAHMAFEDFWVRR-CHWSQXEVSA-N 1 3 266.816 3.332 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC(C)(C)c2ccccc2)C1 ZINC000180550181 542211389 /nfs/dbraw/zinc/21/13/89/542211389.db2.gz KRNUIIVGJZNSHF-MRXNPFEDSA-N 1 3 274.452 3.238 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC(C)(C)c2ccccc2)C1 ZINC000180550181 542211393 /nfs/dbraw/zinc/21/13/93/542211393.db2.gz KRNUIIVGJZNSHF-MRXNPFEDSA-N 1 3 274.452 3.238 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550181 542211397 /nfs/dbraw/zinc/21/13/97/542211397.db2.gz KRNUIIVGJZNSHF-MRXNPFEDSA-N 1 3 274.452 3.238 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550181 542211401 /nfs/dbraw/zinc/21/14/01/542211401.db2.gz KRNUIIVGJZNSHF-MRXNPFEDSA-N 1 3 274.452 3.238 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000252696248 377652795 /nfs/dbraw/zinc/65/27/95/377652795.db2.gz XPNNCCJRQKSMAK-JZXOWHBKSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000252696248 377652799 /nfs/dbraw/zinc/65/27/99/377652799.db2.gz XPNNCCJRQKSMAK-JZXOWHBKSA-N 1 3 272.436 3.472 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000253196780 377680334 /nfs/dbraw/zinc/68/03/34/377680334.db2.gz TYUNRBKWPGKCIE-HLLBOEOZSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000253196780 377680336 /nfs/dbraw/zinc/68/03/36/377680336.db2.gz TYUNRBKWPGKCIE-HLLBOEOZSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CCN1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000253196780 377680347 /nfs/dbraw/zinc/68/03/47/377680347.db2.gz TYUNRBKWPGKCIE-HLLBOEOZSA-N 1 3 260.425 3.097 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC000574772060 377708385 /nfs/dbraw/zinc/70/83/85/377708385.db2.gz XITOJIPYPJJABG-HUUCEWRRSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@H](c1ccccc1F)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261572261 377818216 /nfs/dbraw/zinc/81/82/16/377818216.db2.gz SKHGYSVYSZMFPO-MGPQQGTHSA-N 1 3 264.388 3.207 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261660163 377837082 /nfs/dbraw/zinc/83/70/82/377837082.db2.gz DWIYKBBYPUZICZ-RCCFBDPRSA-N 1 3 272.436 3.054 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261734871 377847718 /nfs/dbraw/zinc/84/77/18/377847718.db2.gz HSHJIYIGFLPRCY-IRXDYDNUSA-N 1 3 258.409 3.132 20 0 CGADHO C[C@H](CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1 ZINC000261807630 377855935 /nfs/dbraw/zinc/85/59/35/377855935.db2.gz HMQCNRZWODXALF-JMGFVUJMSA-N 1 3 278.827 3.113 20 0 CGADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000575837842 377995301 /nfs/dbraw/zinc/99/53/01/377995301.db2.gz PUPYHMVRWULWRZ-MRXNPFEDSA-N 1 3 290.426 3.298 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000575837842 377995304 /nfs/dbraw/zinc/99/53/04/377995304.db2.gz PUPYHMVRWULWRZ-MRXNPFEDSA-N 1 3 290.426 3.298 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+]CC1=CCN(C)CC1 ZINC000345169737 378212286 /nfs/dbraw/zinc/21/22/86/378212286.db2.gz HFRFEXGENTVAOJ-INIZCTEOSA-N 1 3 272.436 3.107 20 0 CGADHO CC[N@H+](CCCC1CCCC1)[C@@H]1CCCNCC1 ZINC000345177346 378214960 /nfs/dbraw/zinc/21/49/60/378214960.db2.gz HQVCUDLLUHRKJV-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO CC[N@@H+](CCCC1CCCC1)[C@@H]1CCCNCC1 ZINC000345177346 378214967 /nfs/dbraw/zinc/21/49/67/378214967.db2.gz HQVCUDLLUHRKJV-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000351831815 284690237 /nfs/dbraw/zinc/69/02/37/284690237.db2.gz SRROOLCKINFZNA-LSDHHAIUSA-N 1 3 258.425 3.226 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000269035019 378178777 /nfs/dbraw/zinc/17/87/77/378178777.db2.gz FKRWTXDXCBDSQX-VBQJREDUSA-N 1 3 288.435 3.145 20 0 CGADHO CC[C@H](NCCCC[NH+](C)C)c1ccc(F)cc1F ZINC000269039809 378179112 /nfs/dbraw/zinc/17/91/12/378179112.db2.gz TUXIKGOHUXGHBR-HNNXBMFYSA-N 1 3 270.367 3.347 20 0 CGADHO CCn1cccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000582162211 378288368 /nfs/dbraw/zinc/28/83/68/378288368.db2.gz YSQZCECTNILYQT-UHFFFAOYSA-N 1 3 277.456 3.060 20 0 CGADHO CCn1cccc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000582162211 378288378 /nfs/dbraw/zinc/28/83/78/378288378.db2.gz YSQZCECTNILYQT-UHFFFAOYSA-N 1 3 277.456 3.060 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cnccc2C)CC1 ZINC000269566176 378236359 /nfs/dbraw/zinc/23/63/59/378236359.db2.gz KORAVIFZQRJFGL-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cnccc2C)CC1 ZINC000269566176 378236366 /nfs/dbraw/zinc/23/63/66/378236366.db2.gz KORAVIFZQRJFGL-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO Cc1csc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000584331806 378377853 /nfs/dbraw/zinc/37/78/53/378377853.db2.gz VTIWTUHPPOSKED-UHFFFAOYSA-N 1 3 264.438 3.021 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271815529 378508644 /nfs/dbraw/zinc/50/86/44/378508644.db2.gz BJRGEYNXFWODKM-CYBMUJFWSA-N 1 3 276.449 3.321 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000271829870 378510512 /nfs/dbraw/zinc/51/05/12/378510512.db2.gz DTVYXPKJPAPSMA-ROUUACIJSA-N 1 3 270.420 3.174 20 0 CGADHO COc1ccc([C@H](C)CN(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346693747 378679021 /nfs/dbraw/zinc/67/90/21/378679021.db2.gz PKSPOXKADWFNSE-RHSMWYFYSA-N 1 3 278.440 3.104 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346818980 378692122 /nfs/dbraw/zinc/69/21/22/378692122.db2.gz DJXNLVXQZAVARV-DUVNUKRYSA-N 1 3 284.403 3.164 20 0 CGADHO COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000273088679 378736108 /nfs/dbraw/zinc/73/61/08/378736108.db2.gz QWKICKGDJHFVCK-HUUCEWRRSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273088679 378736113 /nfs/dbraw/zinc/73/61/13/378736113.db2.gz QWKICKGDJHFVCK-HUUCEWRRSA-N 1 3 288.435 3.139 20 0 CGADHO CC[NH+]1CCC(NC[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000638292065 378758775 /nfs/dbraw/zinc/75/87/75/378758775.db2.gz UFMCHGYDSXKTEN-GOSISDBHSA-N 1 3 290.451 3.227 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000638454120 378808449 /nfs/dbraw/zinc/80/84/49/378808449.db2.gz KFDJPNRUDBNBPX-BBRMVZONSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000638454120 378808453 /nfs/dbraw/zinc/80/84/53/378808453.db2.gz KFDJPNRUDBNBPX-BBRMVZONSA-N 1 3 282.497 3.125 20 0 CGADHO Cc1cc(NC[C@@H](c2cccs2)N(C)C)cc[nH+]1 ZINC000274368827 378821060 /nfs/dbraw/zinc/82/10/60/378821060.db2.gz POXKZKBEHKOMME-ZDUSSCGKSA-N 1 3 261.394 3.166 20 0 CGADHO CO[C@@H](CNCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000638601122 378846397 /nfs/dbraw/zinc/84/63/97/378846397.db2.gz KFXLMVRRDDFESI-PBHICJAKSA-N 1 3 290.451 3.130 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(OCCN(C)C)cc1 ZINC000348324764 378909835 /nfs/dbraw/zinc/90/98/35/378909835.db2.gz LDQJEIHMNJPDMT-IMJJTQAJSA-N 1 3 294.414 3.168 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000346998432 218084686 /nfs/dbraw/zinc/08/46/86/218084686.db2.gz CWRYUSRIWWUZPA-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)OC ZINC000638971047 378961403 /nfs/dbraw/zinc/96/14/03/378961403.db2.gz PIIGAQYTXXFWGA-CUSZFKRNSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638971047 378961407 /nfs/dbraw/zinc/96/14/07/378961407.db2.gz PIIGAQYTXXFWGA-CUSZFKRNSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971047 378961411 /nfs/dbraw/zinc/96/14/11/378961411.db2.gz PIIGAQYTXXFWGA-CUSZFKRNSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CCCNC1 ZINC000347016835 218092896 /nfs/dbraw/zinc/09/28/96/218092896.db2.gz ZFLGLNOCRXUWFX-IJEWVQPXSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCCNC1 ZINC000347016835 218092898 /nfs/dbraw/zinc/09/28/98/218092898.db2.gz ZFLGLNOCRXUWFX-IJEWVQPXSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H]1CCC[NH2+]C1 ZINC000347016835 218092899 /nfs/dbraw/zinc/09/28/99/218092899.db2.gz ZFLGLNOCRXUWFX-IJEWVQPXSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000347098694 218121994 /nfs/dbraw/zinc/12/19/94/218121994.db2.gz JKXAGHAMZHQJEG-CQSZACIVSA-N 1 3 288.435 3.035 20 0 CGADHO COC1(C[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CCC1 ZINC000369295101 284733874 /nfs/dbraw/zinc/73/38/74/284733874.db2.gz USMCGWKEJAIRIN-HNNXBMFYSA-N 1 3 294.483 3.331 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277350470 379138097 /nfs/dbraw/zinc/13/80/97/379138097.db2.gz WRIJPZAJUJRPDM-WBVHZDCISA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277350470 379138106 /nfs/dbraw/zinc/13/81/06/379138106.db2.gz WRIJPZAJUJRPDM-WBVHZDCISA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277350470 379138114 /nfs/dbraw/zinc/13/81/14/379138114.db2.gz WRIJPZAJUJRPDM-WBVHZDCISA-N 1 3 260.425 3.472 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC2C(C)(C)C2(C)C)CC1 ZINC000349180377 379178851 /nfs/dbraw/zinc/17/88/51/379178851.db2.gz DGUGQEAUASEPAD-UHFFFAOYSA-N 1 3 252.446 3.274 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000349341382 379237788 /nfs/dbraw/zinc/23/77/88/379237788.db2.gz BEXVEPLIDUVYAE-UHFFFAOYSA-N 1 3 273.424 3.332 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCSC1 ZINC000373314666 379261149 /nfs/dbraw/zinc/26/11/49/379261149.db2.gz ZNNZWIAXOGKHRV-CQSZACIVSA-N 1 3 282.497 3.126 20 0 CGADHO C[C@@H](c1cccc(F)c1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682691 379545150 /nfs/dbraw/zinc/54/51/50/379545150.db2.gz JQDWALDLWMDEHS-HNNXBMFYSA-N 1 3 299.393 3.494 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000639683922 379546069 /nfs/dbraw/zinc/54/60/69/379546069.db2.gz OKBUBQSEHOSGDA-OALUTQOASA-N 1 3 293.414 3.150 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000639683922 379546078 /nfs/dbraw/zinc/54/60/78/379546078.db2.gz OKBUBQSEHOSGDA-OALUTQOASA-N 1 3 293.414 3.150 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2occc2C)CC1 ZINC000350175359 379525050 /nfs/dbraw/zinc/52/50/50/379525050.db2.gz HGACDIVFPKFXLJ-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO CC(CN1CCCC2(CC2)C1)C[N@@H+]1CCCC2(CC2)C1 ZINC000352267493 379757633 /nfs/dbraw/zinc/75/76/33/379757633.db2.gz USCFOXQZHJAUCN-UHFFFAOYSA-N 1 3 276.468 3.375 20 0 CGADHO CC(CN1CCCC2(CC2)C1)C[N@H+]1CCCC2(CC2)C1 ZINC000352267493 379757637 /nfs/dbraw/zinc/75/76/37/379757637.db2.gz USCFOXQZHJAUCN-UHFFFAOYSA-N 1 3 276.468 3.375 20 0 CGADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000282131006 379860349 /nfs/dbraw/zinc/86/03/49/379860349.db2.gz KDJVJMMWKSJVHI-NEWSRXKRSA-N 1 3 299.462 3.466 20 0 CGADHO CCc1ccc(CNCc2cccc(C[N@@H+](C)CC)c2)cn1 ZINC000352758531 379945007 /nfs/dbraw/zinc/94/50/07/379945007.db2.gz ZMMZETOIUBFGHL-UHFFFAOYSA-N 1 3 297.446 3.386 20 0 CGADHO CCc1ccc(CNCc2cccc(C[N@H+](C)CC)c2)cn1 ZINC000352758531 379945010 /nfs/dbraw/zinc/94/50/10/379945010.db2.gz ZMMZETOIUBFGHL-UHFFFAOYSA-N 1 3 297.446 3.386 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CCCCC2CCOCC2)C1 ZINC000410390883 380090438 /nfs/dbraw/zinc/09/04/38/380090438.db2.gz QVJQLCSFKOSOHW-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000410390883 380090448 /nfs/dbraw/zinc/09/04/48/380090448.db2.gz QVJQLCSFKOSOHW-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410390883 380090454 /nfs/dbraw/zinc/09/04/54/380090454.db2.gz QVJQLCSFKOSOHW-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000410389507 380090736 /nfs/dbraw/zinc/09/07/36/380090736.db2.gz MODFDLHLLBDUGL-CVEARBPZSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410389507 380090741 /nfs/dbraw/zinc/09/07/41/380090741.db2.gz MODFDLHLLBDUGL-CVEARBPZSA-N 1 3 254.462 3.332 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H](C)CC(C)C)C1 ZINC000410389507 380090746 /nfs/dbraw/zinc/09/07/46/380090746.db2.gz MODFDLHLLBDUGL-CVEARBPZSA-N 1 3 254.462 3.332 20 0 CGADHO Cc1ccnc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000286321278 380194811 /nfs/dbraw/zinc/19/48/11/380194811.db2.gz XOEGNFDXHMAAON-GDBMZVCRSA-N 1 3 277.456 3.407 20 0 CGADHO CC(C)OC1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643475750 380316696 /nfs/dbraw/zinc/31/66/96/380316696.db2.gz JQHLPHHVKLNGJW-GNNGFNCTSA-N 1 3 288.435 3.457 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)c1cccc2ccccc21 ZINC000643498689 380320848 /nfs/dbraw/zinc/32/08/48/380320848.db2.gz BUKILAMTMUKAFP-AWEZNQCLSA-N 1 3 256.393 3.490 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)s1 ZINC000643521406 380335167 /nfs/dbraw/zinc/33/51/67/380335167.db2.gz FDOKYAXTMNTNBZ-RYUDHWBXSA-N 1 3 252.427 3.103 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000643463541 380312327 /nfs/dbraw/zinc/31/23/27/380312327.db2.gz COCIJQYOSKADAA-RDJZCZTQSA-N 1 3 274.452 3.461 20 0 CGADHO CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCCCO1 ZINC000643466736 380313926 /nfs/dbraw/zinc/31/39/26/380313926.db2.gz LWQQGEMNQJPAQJ-BRWVUGGUSA-N 1 3 288.435 3.316 20 0 CGADHO C[C@@H](NCCc1ccc(-c2ccccc2)cc1)C1C[NH2+]C1 ZINC000643467628 380314650 /nfs/dbraw/zinc/31/46/50/380314650.db2.gz FBPZYOYIPSZJMI-OAHLLOKOSA-N 1 3 280.415 3.094 20 0 CGADHO C[C@@H]([NH2+]CCc1ccc(-c2ccccc2)cc1)C1CNC1 ZINC000643467628 380314653 /nfs/dbraw/zinc/31/46/53/380314653.db2.gz FBPZYOYIPSZJMI-OAHLLOKOSA-N 1 3 280.415 3.094 20 0 CGADHO FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548889 380364800 /nfs/dbraw/zinc/36/48/00/380364800.db2.gz WZOZGNPRFXQYOE-SOUVJXGZSA-N 1 3 268.420 3.169 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548974 380366375 /nfs/dbraw/zinc/36/63/75/380366375.db2.gz YIYYTMPVUPMXIR-NVXWUHKLSA-N 1 3 287.451 3.057 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221590 380368020 /nfs/dbraw/zinc/36/80/20/380368020.db2.gz HLEZUBNKZSXNBW-GOEBONIOSA-N 1 3 294.414 3.009 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc(F)c2)C[C@@H]1C ZINC000354221590 380368026 /nfs/dbraw/zinc/36/80/26/380368026.db2.gz HLEZUBNKZSXNBW-GOEBONIOSA-N 1 3 294.414 3.009 20 0 CGADHO CCN(Cc1ccc(C)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000414720765 380386927 /nfs/dbraw/zinc/38/69/27/380386927.db2.gz ZTYYXAJQEHCHPV-KRWDZBQOSA-N 1 3 260.425 3.267 20 0 CGADHO COCCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000643521728 380337676 /nfs/dbraw/zinc/33/76/76/380337676.db2.gz ABYBRSGXKLCFQP-SJORKVTESA-N 1 3 294.414 3.025 20 0 CGADHO Fc1ccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643521909 380337947 /nfs/dbraw/zinc/33/79/47/380337947.db2.gz FERKGBYLAGRLTQ-HZPDHXFCSA-N 1 3 262.372 3.009 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523614 380339452 /nfs/dbraw/zinc/33/94/52/380339452.db2.gz AQRZBBBEJWZARD-INIZCTEOSA-N 1 3 258.409 3.348 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000643524227 380340222 /nfs/dbraw/zinc/34/02/22/380340222.db2.gz WXGAUGHWXLQFDM-IIYDPXPESA-N 1 3 283.419 3.405 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000643526686 380342432 /nfs/dbraw/zinc/34/24/32/380342432.db2.gz DRZWMJMQJSCSRL-GUYCJALGSA-N 1 3 272.367 3.046 20 0 CGADHO Cc1ccc(CCC[NH2+]C[C@@H](C)CN2CCCCC2)cn1 ZINC000354145307 380343969 /nfs/dbraw/zinc/34/39/69/380343969.db2.gz AQPZLCKOUQPIEB-MRXNPFEDSA-N 1 3 289.467 3.034 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000643527933 380345051 /nfs/dbraw/zinc/34/50/51/380345051.db2.gz VSWDIGHGZQZUBM-ZKYQVNSYSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cc2ccccc2o1 ZINC000643534433 380349784 /nfs/dbraw/zinc/34/97/84/380349784.db2.gz VEFLAYSRVUSDAH-LRDDRELGSA-N 1 3 270.376 3.226 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546569 380359902 /nfs/dbraw/zinc/35/99/02/380359902.db2.gz RGNWXJACWWQDTA-DOTOQJQBSA-N 1 3 270.420 3.328 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccc(F)cc1 ZINC000414814946 380426365 /nfs/dbraw/zinc/42/63/65/380426365.db2.gz ZPNHWCCUKMVNDQ-INWMFGNUSA-N 1 3 264.388 3.036 20 0 CGADHO Cc1ccccc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815444 380428652 /nfs/dbraw/zinc/42/86/52/380428652.db2.gz XPSVPKDIEYQBHP-CQSZACIVSA-N 1 3 254.377 3.305 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414825789 380435069 /nfs/dbraw/zinc/43/50/69/380435069.db2.gz HRENDSIOMQCVFB-FSGLHJGXSA-N 1 3 284.447 3.270 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000414827511 380435763 /nfs/dbraw/zinc/43/57/63/380435763.db2.gz XQTOAIAIMMGGRP-VYDXJSESSA-N 1 3 260.425 3.158 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829956 380438495 /nfs/dbraw/zinc/43/84/95/380438495.db2.gz BRDNWOMQCCOGTK-VXGBXAGGSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829956 380438500 /nfs/dbraw/zinc/43/85/00/380438500.db2.gz BRDNWOMQCCOGTK-VXGBXAGGSA-N 1 3 288.357 3.082 20 0 CGADHO C[C@H](CNCC1([NH3+])CCCCC1)Cc1ccccc1 ZINC000414833312 380442253 /nfs/dbraw/zinc/44/22/53/380442253.db2.gz ACRSRCZUWICJLU-HNNXBMFYSA-N 1 3 260.425 3.116 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414844407 380449854 /nfs/dbraw/zinc/44/98/54/380449854.db2.gz REFSXCGNJLESEJ-CGTJXYLNSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@@H](CCC1CCCCC1)[NH2+]C[C@H]1CCCNC1 ZINC000414846947 380452163 /nfs/dbraw/zinc/45/21/63/380452163.db2.gz FMRSOYKSPVOJAY-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000414787797 380404801 /nfs/dbraw/zinc/40/48/01/380404801.db2.gz CRDDBCGTPOGFFG-GOEBONIOSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCNCC2)C[C@@H](c2ccccc2)C1 ZINC000414788939 380405440 /nfs/dbraw/zinc/40/54/40/380405440.db2.gz NEPNUGLJRGDYGL-ZVZYQTTQSA-N 1 3 272.436 3.300 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000414794198 380408988 /nfs/dbraw/zinc/40/89/88/380408988.db2.gz FJOZEAPONUDPEK-RYQLBKOJSA-N 1 3 274.452 3.423 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000414795357 380410076 /nfs/dbraw/zinc/41/00/76/380410076.db2.gz GTTZREKFDABLKF-UONOGXRCSA-N 1 3 268.351 3.231 20 0 CGADHO Clc1ccc(Cl)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414853664 380456159 /nfs/dbraw/zinc/45/61/59/380456159.db2.gz SKRYLWHMMBQQNE-LLVKDONJSA-N 1 3 287.234 3.473 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000414795355 380411012 /nfs/dbraw/zinc/41/10/12/380411012.db2.gz GTTZREKFDABLKF-KBPBESRZSA-N 1 3 268.351 3.231 20 0 CGADHO CC(C)[C@@H]([NH3+])CNC[C@H](C)c1cccc(Cl)c1 ZINC000414801814 380414369 /nfs/dbraw/zinc/41/43/69/380414369.db2.gz UVQKTAXBMQDBOG-FZMZJTMJSA-N 1 3 254.805 3.016 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccsc1 ZINC000414801462 380414569 /nfs/dbraw/zinc/41/45/69/380414569.db2.gz ADWHZQLBWKABLB-GFCCVEGCSA-N 1 3 254.443 3.176 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414801853 380414863 /nfs/dbraw/zinc/41/48/63/380414863.db2.gz MIGQGLSTMXDERO-XDNAFOTISA-N 1 3 272.436 3.115 20 0 CGADHO CCCOc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414811376 380421752 /nfs/dbraw/zinc/42/17/52/380421752.db2.gz WAZAZAHKUIPDNA-WBVHZDCISA-N 1 3 276.424 3.083 20 0 CGADHO COc1ccc2oc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2c1 ZINC000414810341 380422210 /nfs/dbraw/zinc/42/22/10/380422210.db2.gz VGIRZRFKRNGCSM-LRDDRELGSA-N 1 3 288.391 3.049 20 0 CGADHO CCCC[C@H](CN)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414810337 380422357 /nfs/dbraw/zinc/42/23/57/380422357.db2.gz HWXQNQWZIUMILH-CYBMUJFWSA-N 1 3 258.768 3.086 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2csc3ccccc23)C1 ZINC000414930089 380493739 /nfs/dbraw/zinc/49/37/39/380493739.db2.gz SLQCHFGCAQBYQM-CHWSQXEVSA-N 1 3 260.406 3.261 20 0 CGADHO COc1ccc2cc(C[NH2+][C@H]3CCCN[C@@H]3C)ccc2c1 ZINC000414937286 380496520 /nfs/dbraw/zinc/49/65/20/380496520.db2.gz DHKZNAWCNHZXST-ACJLOTCBSA-N 1 3 284.403 3.079 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCN[C@@H](C)C1)CC1CCCCC1 ZINC000414945533 380500248 /nfs/dbraw/zinc/50/02/48/380500248.db2.gz INAOQDBCLWHEBG-OFQRWUPVSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)CCN1 ZINC000414944861 380500939 /nfs/dbraw/zinc/50/09/39/380500939.db2.gz HLMSBQVJBSDTMA-PPWQZUPISA-N 1 3 252.446 3.321 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCCNCC2)cc1 ZINC000415079519 380507883 /nfs/dbraw/zinc/50/78/83/380507883.db2.gz ICPNHWYIJWNLTL-QGZVFWFLSA-N 1 3 274.452 3.258 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000415079519 380507884 /nfs/dbraw/zinc/50/78/84/380507884.db2.gz ICPNHWYIJWNLTL-QGZVFWFLSA-N 1 3 274.452 3.258 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(-c2ccccc2)s1 ZINC000414870274 380466912 /nfs/dbraw/zinc/46/69/12/380466912.db2.gz BXYOHPYHUQTDTN-GFCCVEGCSA-N 1 3 260.406 3.100 20 0 CGADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C)CN ZINC000414878150 380473009 /nfs/dbraw/zinc/47/30/09/380473009.db2.gz NVCKKSGQXUORGG-NWDGAFQWSA-N 1 3 288.357 3.211 20 0 CGADHO [NH3+][C@H](CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000414889927 380476428 /nfs/dbraw/zinc/47/64/28/380476428.db2.gz LXEGWISMNVRANL-OAGGEKHMSA-N 1 3 278.827 3.303 20 0 CGADHO CC(C)(C)OCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354868002 380561098 /nfs/dbraw/zinc/56/10/98/380561098.db2.gz ZIPRABJMMUBIAX-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO CC(C)(C)OCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000354868002 380561104 /nfs/dbraw/zinc/56/11/04/380561104.db2.gz ZIPRABJMMUBIAX-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO CC(C)(C)OCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000354868002 380561106 /nfs/dbraw/zinc/56/11/06/380561106.db2.gz ZIPRABJMMUBIAX-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357663 380852913 /nfs/dbraw/zinc/85/29/13/380852913.db2.gz DUTBTUGJENZNJQ-MSOLQXFVSA-N 1 3 270.420 3.140 20 0 CGADHO Clc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357048500 381011319 /nfs/dbraw/zinc/01/13/19/381011319.db2.gz KKXSWTBVOIYLGI-HNNXBMFYSA-N 1 3 278.827 3.162 20 0 CGADHO [NH3+]CCOCCN(Cc1ccccc1Cl)C1CCCC1 ZINC000357077059 381023260 /nfs/dbraw/zinc/02/32/60/381023260.db2.gz JHXTZZSMPYIRTF-UHFFFAOYSA-N 1 3 296.842 3.060 20 0 CGADHO C[C@H](CN1CCC[C@@H](C)C1)C[N@@H+]1CCC[C@H](C)C1 ZINC000357745361 381274414 /nfs/dbraw/zinc/27/44/14/381274414.db2.gz RZRLYAOAKPESKI-MUJYYYPQSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](CN1CCC[C@@H](C)C1)C[N@H+]1CCC[C@H](C)C1 ZINC000357745361 381274422 /nfs/dbraw/zinc/27/44/22/381274422.db2.gz RZRLYAOAKPESKI-MUJYYYPQSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](CN1CCC[C@H](C)C1)C[N@@H+]1CCC[C@@H](C)C1 ZINC000357745361 381274429 /nfs/dbraw/zinc/27/44/29/381274429.db2.gz RZRLYAOAKPESKI-MUJYYYPQSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](CN1CCC[C@H](C)C1)C[N@H+]1CCC[C@@H](C)C1 ZINC000357745361 381274436 /nfs/dbraw/zinc/27/44/36/381274436.db2.gz RZRLYAOAKPESKI-MUJYYYPQSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000359273999 381340631 /nfs/dbraw/zinc/34/06/31/381340631.db2.gz AEMHLVLQXOACOS-PBHICJAKSA-N 1 3 260.425 3.241 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235100 381492429 /nfs/dbraw/zinc/49/24/29/381492429.db2.gz RQTCDFRJZKNGGU-GJZGRUSLSA-N 1 3 288.435 3.099 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000362393656 381972845 /nfs/dbraw/zinc/97/28/45/381972845.db2.gz UQCKSUWAXWGANU-QGZVFWFLSA-N 1 3 290.451 3.119 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000362393656 381972851 /nfs/dbraw/zinc/97/28/51/381972851.db2.gz UQCKSUWAXWGANU-QGZVFWFLSA-N 1 3 290.451 3.119 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000362393656 381972854 /nfs/dbraw/zinc/97/28/54/381972854.db2.gz UQCKSUWAXWGANU-QGZVFWFLSA-N 1 3 290.451 3.119 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000362393656 381972860 /nfs/dbraw/zinc/97/28/60/381972860.db2.gz UQCKSUWAXWGANU-QGZVFWFLSA-N 1 3 290.451 3.119 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@H]([C@H](C)[NH3+])C3)ccc2n1 ZINC000228688814 542298797 /nfs/dbraw/zinc/29/87/97/542298797.db2.gz MHNLHBBIPXKUFF-YOEHRIQHSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@@H]([C@H](C)[NH3+])C3)ccc2n1 ZINC000228688798 542299071 /nfs/dbraw/zinc/29/90/71/542299071.db2.gz MHNLHBBIPXKUFF-WMLDXEAASA-N 1 3 283.419 3.102 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000365196622 382284205 /nfs/dbraw/zinc/28/42/05/382284205.db2.gz BAKWRWZDSAUWMA-ZWKOTPCHSA-N 1 3 290.451 3.086 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000252714875 542351103 /nfs/dbraw/zinc/35/11/03/542351103.db2.gz TYUQTRBLMKFQPB-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423449748 532993054 /nfs/dbraw/zinc/99/30/54/532993054.db2.gz RZMWUYROFZVTCG-RDBSUJKOSA-N 1 3 269.392 3.135 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000502687233 285145803 /nfs/dbraw/zinc/14/58/03/285145803.db2.gz YXLAYYZHTZIKSI-XSLAGTTESA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000312000985 542431514 /nfs/dbraw/zinc/43/15/14/542431514.db2.gz GVPYYKWFDMPDEC-DJIMGWMZSA-N 1 3 264.457 3.419 20 0 CGADHO CC[NH+]1CCC(NCc2ccc(CC(C)C)cc2)CC1 ZINC000094896212 535473878 /nfs/dbraw/zinc/47/38/78/535473878.db2.gz QPWRDUHRHDZPNJ-UHFFFAOYSA-N 1 3 274.452 3.459 20 0 CGADHO COc1c2ccccc2oc1CN[C@H](C)CCCC[NH3+] ZINC000423074301 533451093 /nfs/dbraw/zinc/45/10/93/533451093.db2.gz UKPSJXXOFLIQLL-GFCCVEGCSA-N 1 3 276.380 3.049 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc2ccccc2c1 ZINC000423328029 533411341 /nfs/dbraw/zinc/41/13/41/533411341.db2.gz RUPBVSKVWMPIQY-SJKOYZFVSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156166221 533543487 /nfs/dbraw/zinc/54/34/87/533543487.db2.gz PMPWWEDNFZUPIF-ZOWXZIJZSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156166221 533543490 /nfs/dbraw/zinc/54/34/90/533543490.db2.gz PMPWWEDNFZUPIF-ZOWXZIJZSA-N 1 3 266.816 3.473 20 0 CGADHO c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000411308232 542630250 /nfs/dbraw/zinc/63/02/50/542630250.db2.gz HYCPZURFQXMERS-QXAKKESOSA-N 1 3 284.447 3.350 20 0 CGADHO c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000411308232 542630255 /nfs/dbraw/zinc/63/02/55/542630255.db2.gz HYCPZURFQXMERS-QXAKKESOSA-N 1 3 284.447 3.350 20 0 CGADHO C[C@H](CC[NH3+])NCc1cccc(-c2ccccc2)c1 ZINC000414888354 542639747 /nfs/dbraw/zinc/63/97/47/542639747.db2.gz RHFATMXTNSRVGO-CQSZACIVSA-N 1 3 254.377 3.181 20 0 CGADHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc12 ZINC000414921812 542641191 /nfs/dbraw/zinc/64/11/91/542641191.db2.gz FZOHLCKKOCEXAD-CABCVRRESA-N 1 3 284.403 3.208 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037649331 391981971 /nfs/dbraw/zinc/98/19/71/391981971.db2.gz RVYFSJDJSOWELF-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649331 391981977 /nfs/dbraw/zinc/98/19/77/391981977.db2.gz RVYFSJDJSOWELF-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000061360045 392127839 /nfs/dbraw/zinc/12/78/39/392127839.db2.gz PBZITTRBJPIWSN-GBOPCIDUSA-N 1 3 278.465 3.444 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000061360045 392127840 /nfs/dbraw/zinc/12/78/40/392127840.db2.gz PBZITTRBJPIWSN-GBOPCIDUSA-N 1 3 278.465 3.444 20 0 CGADHO c1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096474217 392256189 /nfs/dbraw/zinc/25/61/89/392256189.db2.gz HUPDLWDNPKVMDY-UONOGXRCSA-N 1 3 267.376 3.274 20 0 CGADHO c1ccc2c(c1)nccc2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096474217 392256194 /nfs/dbraw/zinc/25/61/94/392256194.db2.gz HUPDLWDNPKVMDY-UONOGXRCSA-N 1 3 267.376 3.274 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000245632603 131087561 /nfs/dbraw/zinc/08/75/61/131087561.db2.gz QNZDXYGMSZGIPD-MSOLQXFVSA-N 1 3 287.451 3.047 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000245632603 131087563 /nfs/dbraw/zinc/08/75/63/131087563.db2.gz QNZDXYGMSZGIPD-MSOLQXFVSA-N 1 3 287.451 3.047 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125252728 392438833 /nfs/dbraw/zinc/43/88/33/392438833.db2.gz OGHFEZMYAMOYSY-JMGFVUJMSA-N 1 3 278.827 3.460 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000367058129 392463844 /nfs/dbraw/zinc/46/38/44/392463844.db2.gz QBFGGVYJBJHQBB-FUHWJXTLSA-N 1 3 289.467 3.429 20 0 CGADHO C1=CC[C@@H](CN2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000372405426 392606334 /nfs/dbraw/zinc/60/63/34/392606334.db2.gz VFIWKXCJFMESAV-OAHLLOKOSA-N 1 3 262.441 3.339 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000314694318 392668145 /nfs/dbraw/zinc/66/81/45/392668145.db2.gz XJMAOVXVFYXRFO-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC000647283779 392635823 /nfs/dbraw/zinc/63/58/23/392635823.db2.gz MVDNYZGTKBKHRE-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC000647283779 392635824 /nfs/dbraw/zinc/63/58/24/392635824.db2.gz MVDNYZGTKBKHRE-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647283779 392635826 /nfs/dbraw/zinc/63/58/26/392635826.db2.gz MVDNYZGTKBKHRE-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@H](N)[C@@H](CC)C1)c1ccccc1 ZINC000647499104 392742386 /nfs/dbraw/zinc/74/23/86/392742386.db2.gz ZLRARPYHVRDYBO-VYDXJSESSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@H](N)[C@@H](CC)C1)c1ccccc1 ZINC000647499104 392742392 /nfs/dbraw/zinc/74/23/92/392742392.db2.gz ZLRARPYHVRDYBO-VYDXJSESSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](CN1CC[C@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000647499104 392742394 /nfs/dbraw/zinc/74/23/94/392742394.db2.gz ZLRARPYHVRDYBO-VYDXJSESSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)[NH+]1CCC(N[C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000334866617 392756216 /nfs/dbraw/zinc/75/62/16/392756216.db2.gz YUGNDSWOAZJHNI-GOSISDBHSA-N 1 3 287.451 3.109 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392282170 392929897 /nfs/dbraw/zinc/92/98/97/392929897.db2.gz RYGWJUIHQRCBLH-CVEARBPZSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CCC(C)CC1 ZINC000513754934 542732975 /nfs/dbraw/zinc/73/29/75/542732975.db2.gz OIERQAJTWXFSRW-CVEARBPZSA-N 1 3 252.446 3.133 20 0 CGADHO CN1Cc2ccccc2[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000535266244 542750598 /nfs/dbraw/zinc/75/05/98/542750598.db2.gz QSIRVXQBIQAEDV-LJQANCHMSA-N 1 3 289.382 3.255 20 0 CGADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000220492126 393004337 /nfs/dbraw/zinc/00/43/37/393004337.db2.gz DVCMYRLVFBPCEZ-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000220492126 393004341 /nfs/dbraw/zinc/00/43/41/393004341.db2.gz DVCMYRLVFBPCEZ-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000343436598 393028430 /nfs/dbraw/zinc/02/84/30/393028430.db2.gz BYEDBKLNBQYMCQ-JYYAWHABSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000343436598 393028433 /nfs/dbraw/zinc/02/84/33/393028433.db2.gz BYEDBKLNBQYMCQ-JYYAWHABSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000235373662 393028775 /nfs/dbraw/zinc/02/87/75/393028775.db2.gz FPEGZKSGYAWMAW-CVEARBPZSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414993783 393084212 /nfs/dbraw/zinc/08/42/12/393084212.db2.gz CQDGTQBAIMAAFM-SIUPPRGNSA-N 1 3 290.426 3.297 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000346480740 393088910 /nfs/dbraw/zinc/08/89/10/393088910.db2.gz FZEIVYJKTMYVQD-DZVNLGKHSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H](CCC[NH3+])NCc1c(Cl)oc2ccccc21 ZINC000415016501 393098726 /nfs/dbraw/zinc/09/87/26/393098726.db2.gz CLSWTBFQTAMXDB-SNVBAGLBSA-N 1 3 266.772 3.303 20 0 CGADHO CCOC1CC([NH2+][C@@H]2CCCC[C@@H]2CN(CC)CC)C1 ZINC000344113621 393039526 /nfs/dbraw/zinc/03/95/26/393039526.db2.gz WABGYKKEXLGEEI-RDHHWEPZSA-N 1 3 282.472 3.044 20 0 CGADHO CCOC1CC(N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)C1 ZINC000344113621 393039535 /nfs/dbraw/zinc/03/95/35/393039535.db2.gz WABGYKKEXLGEEI-RDHHWEPZSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](C[NH2+][C@H]1CCNC[C@H]1C)c1ccccc1 ZINC000414955144 393062448 /nfs/dbraw/zinc/06/24/48/393062448.db2.gz LKAVOHXGEUTRJS-OIISXLGYSA-N 1 3 260.425 3.158 20 0 CGADHO Fc1cc(Cl)ccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414958523 393065761 /nfs/dbraw/zinc/06/57/61/393065761.db2.gz DFYBZZNTKNPFQN-ZDUSSCGKSA-N 1 3 270.779 3.101 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414972160 393073050 /nfs/dbraw/zinc/07/30/50/393073050.db2.gz ACLVNLSRXOIAOX-CYBMUJFWSA-N 1 3 260.406 3.242 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2c(c1)NCCC2 ZINC000415044753 393111221 /nfs/dbraw/zinc/11/12/21/393111221.db2.gz XQLRTIKREFPEQC-NZSAHSFTSA-N 1 3 299.462 3.055 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415047851 393112083 /nfs/dbraw/zinc/11/20/83/393112083.db2.gz WJRNRNWAVCFGFM-PSASIEDQSA-N 1 3 291.197 3.350 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000415048693 393113122 /nfs/dbraw/zinc/11/31/22/393113122.db2.gz XEVDSXZCUUPGIF-JOYOIKCWSA-N 1 3 273.207 3.210 20 0 CGADHO Cc1ccc(C)c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052294 393114481 /nfs/dbraw/zinc/11/44/81/393114481.db2.gz NCSSDVKRKNKJAY-FUHWJXTLSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1cccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000415053659 393114540 /nfs/dbraw/zinc/11/45/40/393114540.db2.gz OZSJXJFWHMUOOG-AEFFLSMTSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H](C)Cc1cccs1 ZINC000415089869 393140569 /nfs/dbraw/zinc/14/05/69/393140569.db2.gz YICKNQUDOKMGNU-MJBXVCDLSA-N 1 3 266.454 3.047 20 0 CGADHO Fc1cccc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415094098 393142339 /nfs/dbraw/zinc/14/23/39/393142339.db2.gz WOVJFXWDKGIPGV-RCCFBDPRSA-N 1 3 290.426 3.269 20 0 CGADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415104068 393147050 /nfs/dbraw/zinc/14/70/50/393147050.db2.gz DMJAPKDXDGGKPG-KZNAEPCWSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000353924355 393235677 /nfs/dbraw/zinc/23/56/77/393235677.db2.gz BPULNUPAGDSNTQ-INIZCTEOSA-N 1 3 292.471 3.066 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000353924355 393235684 /nfs/dbraw/zinc/23/56/84/393235684.db2.gz BPULNUPAGDSNTQ-INIZCTEOSA-N 1 3 292.471 3.066 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000354653167 393247144 /nfs/dbraw/zinc/24/71/44/393247144.db2.gz DVKMWWMGIBLCPR-IKGGRYGDSA-N 1 3 282.472 3.046 20 0 CGADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCC1=CCCCC1 ZINC000423149548 285522122 /nfs/dbraw/zinc/52/21/22/285522122.db2.gz XSWBGFCECVCWIZ-HKUYNNGSSA-N 1 3 298.430 3.332 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCCC1 ZINC000475207293 393382692 /nfs/dbraw/zinc/38/26/92/393382692.db2.gz GTKHUKACOVMELJ-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CCOCC1 ZINC000474800664 393348834 /nfs/dbraw/zinc/34/88/34/393348834.db2.gz URWYOXSEILYUBE-RYQLBKOJSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)[N@H+](C)CCCNCCc1ccc(F)cc1Cl ZINC000356171618 393367636 /nfs/dbraw/zinc/36/76/36/393367636.db2.gz ULPSWNJMTFFSHH-UHFFFAOYSA-N 1 3 286.822 3.342 20 0 CGADHO CC(C)[N@@H+](C)CCCNCCc1ccc(F)cc1Cl ZINC000356171618 393367639 /nfs/dbraw/zinc/36/76/39/393367639.db2.gz ULPSWNJMTFFSHH-UHFFFAOYSA-N 1 3 286.822 3.342 20 0 CGADHO CC(C)N(C)CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356171618 393367645 /nfs/dbraw/zinc/36/76/45/393367645.db2.gz ULPSWNJMTFFSHH-UHFFFAOYSA-N 1 3 286.822 3.342 20 0 CGADHO CSC1(C[NH2+]Cc2ccc(CN(C)C)cc2)CCC1 ZINC000356179374 393368930 /nfs/dbraw/zinc/36/89/30/393368930.db2.gz WGRCANMIDSSDDD-UHFFFAOYSA-N 1 3 278.465 3.124 20 0 CGADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCN(C)C(C)C ZINC000479527480 393433750 /nfs/dbraw/zinc/43/37/50/393433750.db2.gz MRJINYVPPJGYRQ-HZPDHXFCSA-N 1 3 252.446 3.299 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420268600 393445777 /nfs/dbraw/zinc/44/57/77/393445777.db2.gz XHNQTZOCMLCYHB-HOTGVXAUSA-N 1 3 295.430 3.233 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)CN(C)C)CC3 ZINC000425942928 393445932 /nfs/dbraw/zinc/44/59/32/393445932.db2.gz ORQJKHZPPWKJHE-LSDHHAIUSA-N 1 3 299.462 3.121 20 0 CGADHO C[C@@H](N)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000420307111 393457500 /nfs/dbraw/zinc/45/75/00/393457500.db2.gz RBPSSPQQZQVYCE-MRVPVSSYSA-N 1 3 261.196 3.165 20 0 CGADHO CC(C)N(CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420318779 393462911 /nfs/dbraw/zinc/46/29/11/393462911.db2.gz OWVIPSQJCDGVEI-HNNXBMFYSA-N 1 3 278.415 3.426 20 0 CGADHO C[C@H](N)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368705 393476378 /nfs/dbraw/zinc/47/63/78/393476378.db2.gz IELCRNLUUPERDJ-HNAYVOBHSA-N 1 3 280.415 3.176 20 0 CGADHO C[C@H](N)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420368705 393476381 /nfs/dbraw/zinc/47/63/81/393476381.db2.gz IELCRNLUUPERDJ-HNAYVOBHSA-N 1 3 280.415 3.176 20 0 CGADHO Clc1ccc2c(c1)CN(CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420378432 393478327 /nfs/dbraw/zinc/47/83/27/393478327.db2.gz UICABLYNJOSGOW-ZDUSSCGKSA-N 1 3 278.827 3.088 20 0 CGADHO CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000647245010 393409875 /nfs/dbraw/zinc/40/98/75/393409875.db2.gz NAAABACEFFXGHL-WBVHZDCISA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H](C)C[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000647245010 393409879 /nfs/dbraw/zinc/40/98/79/393409879.db2.gz NAAABACEFFXGHL-WBVHZDCISA-N 1 3 296.499 3.170 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413132 393486726 /nfs/dbraw/zinc/48/67/26/393486726.db2.gz ZVHMEDQUSDQQMN-XDNAFOTISA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)C)C2)C1 ZINC000488451104 393519414 /nfs/dbraw/zinc/51/94/14/393519414.db2.gz UIXWOEBLYUQHHZ-IKGGRYGDSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CS[C@H](C(C)C)C2)C1 ZINC000488451104 393519416 /nfs/dbraw/zinc/51/94/16/393519416.db2.gz UIXWOEBLYUQHHZ-IKGGRYGDSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CS[C@H](C(C)C)C2)C1 ZINC000488451104 393519418 /nfs/dbraw/zinc/51/94/18/393519418.db2.gz UIXWOEBLYUQHHZ-IKGGRYGDSA-N 1 3 298.540 3.474 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000359028758 393533774 /nfs/dbraw/zinc/53/37/74/393533774.db2.gz KBNKXRYRKOPTLY-DQYPLSBCSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000359028758 393533780 /nfs/dbraw/zinc/53/37/80/393533780.db2.gz KBNKXRYRKOPTLY-DQYPLSBCSA-N 1 3 276.399 3.133 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(CC2CCCCC2)CC1 ZINC000359452580 393548972 /nfs/dbraw/zinc/54/89/72/393548972.db2.gz AOFDZAUDWPHIKJ-UHFFFAOYSA-N 1 3 273.424 3.092 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCCSc1ccc(Cl)cc1 ZINC000430553836 393574287 /nfs/dbraw/zinc/57/42/87/393574287.db2.gz PNAMALHZLOGUEO-CQSZACIVSA-N 1 3 286.872 3.395 20 0 CGADHO CN(CCSCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000430745658 393592205 /nfs/dbraw/zinc/59/22/05/393592205.db2.gz YSVHIDJYROJUKL-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO CN(CCSCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000430745658 393592210 /nfs/dbraw/zinc/59/22/10/393592210.db2.gz YSVHIDJYROJUKL-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCCNCC1 ZINC000666857836 542821370 /nfs/dbraw/zinc/82/13/70/542821370.db2.gz LLOMVXDDCUXUOW-RYUDHWBXSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)N[C@H]1CCC[NH2+]CC1 ZINC000666857836 542821371 /nfs/dbraw/zinc/82/13/71/542821371.db2.gz LLOMVXDDCUXUOW-RYUDHWBXSA-N 1 3 286.872 3.454 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360838259 393595508 /nfs/dbraw/zinc/59/55/08/393595508.db2.gz TYZXJGCKQYTBTO-QAPCUYQASA-N 1 3 287.451 3.244 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422799407 393642600 /nfs/dbraw/zinc/64/26/00/393642600.db2.gz WPGQOHSOLXXULD-NPJQDHAYSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1CCCN1 ZINC000422799407 393642602 /nfs/dbraw/zinc/64/26/02/393642602.db2.gz WPGQOHSOLXXULD-NPJQDHAYSA-N 1 3 250.430 3.075 20 0 CGADHO CCCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000491026345 393663750 /nfs/dbraw/zinc/66/37/50/393663750.db2.gz GDENFSNQMLGRAC-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000491026345 393663752 /nfs/dbraw/zinc/66/37/52/393663752.db2.gz GDENFSNQMLGRAC-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000491026345 393663756 /nfs/dbraw/zinc/66/37/56/393663756.db2.gz GDENFSNQMLGRAC-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CCN1 ZINC000423372377 393663817 /nfs/dbraw/zinc/66/38/17/393663817.db2.gz GDMSMXHYBNLFPU-MXASKKJJSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423372377 393663820 /nfs/dbraw/zinc/66/38/20/393663820.db2.gz GDMSMXHYBNLFPU-MXASKKJJSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497863 393671198 /nfs/dbraw/zinc/67/11/98/393671198.db2.gz HMTIHFGBRJPUMI-CSMYWGQOSA-N 1 3 258.409 3.342 20 0 CGADHO CC[C@H](C)[C@H](CNC1CC[NH+](C2CCCC2)CC1)OC ZINC000449404763 393880079 /nfs/dbraw/zinc/88/00/79/393880079.db2.gz WABAVIOURFORBK-YOEHRIQHSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](C)[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)OC ZINC000449404763 393880086 /nfs/dbraw/zinc/88/00/86/393880086.db2.gz WABAVIOURFORBK-YOEHRIQHSA-N 1 3 282.472 3.044 20 0 CGADHO c1cc2cc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969006 542830788 /nfs/dbraw/zinc/83/07/88/542830788.db2.gz UKRFSHJPKXBVGP-RTBURBONSA-N 1 3 295.430 3.199 20 0 CGADHO Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000666995517 542834166 /nfs/dbraw/zinc/83/41/66/542834166.db2.gz QCIAAASIPPAYAZ-CVEARBPZSA-N 1 3 290.838 3.072 20 0 CGADHO Clc1ccc2c(c1)C[C@@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666995517 542834170 /nfs/dbraw/zinc/83/41/70/542834170.db2.gz QCIAAASIPPAYAZ-CVEARBPZSA-N 1 3 290.838 3.072 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453104356 394173025 /nfs/dbraw/zinc/17/30/25/394173025.db2.gz ZIGPCIOBZQGOLW-PBHICJAKSA-N 1 3 264.457 3.277 20 0 CGADHO C[N@H+](CCCCNCc1ccc(F)cc1Cl)C1CC1 ZINC000453602502 394255660 /nfs/dbraw/zinc/25/56/60/394255660.db2.gz WDUOFZDSNHIGBO-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[N@@H+](CCCCNCc1ccc(F)cc1Cl)C1CC1 ZINC000453602502 394255663 /nfs/dbraw/zinc/25/56/63/394255663.db2.gz WDUOFZDSNHIGBO-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[N@H+](CCCCNCc1ccsc1Cl)C1CC1 ZINC000453590081 394251338 /nfs/dbraw/zinc/25/13/38/394251338.db2.gz AHLFDZNVMQSHIK-UHFFFAOYSA-N 1 3 272.845 3.366 20 0 CGADHO C[N@@H+](CCCCNCc1ccsc1Cl)C1CC1 ZINC000453590081 394251340 /nfs/dbraw/zinc/25/13/40/394251340.db2.gz AHLFDZNVMQSHIK-UHFFFAOYSA-N 1 3 272.845 3.366 20 0 CGADHO c1cc(N2CCC([NH2+]CCC3CCCC3)CC2)ccn1 ZINC000037739629 134848995 /nfs/dbraw/zinc/84/89/95/134848995.db2.gz KYFZMEVZRAOSBN-UHFFFAOYSA-N 1 3 273.424 3.220 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670264866 543147371 /nfs/dbraw/zinc/14/73/71/543147371.db2.gz KTWKGJQKIPNZKJ-GJZGRUSLSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670264866 543147373 /nfs/dbraw/zinc/14/73/73/543147373.db2.gz KTWKGJQKIPNZKJ-GJZGRUSLSA-N 1 3 254.462 3.332 20 0 CGADHO Cc1ccc(C2(CN[C@H](C)[C@H]3CC[NH2+]C3)CCC2)cc1C ZINC000423081261 292090306 /nfs/dbraw/zinc/09/03/06/292090306.db2.gz CKRVQDQJJVLADU-SJORKVTESA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C(C)C)cc1 ZINC000423372925 292110471 /nfs/dbraw/zinc/11/04/71/292110471.db2.gz HKMONQOWIOFBBZ-SQNIBIBYSA-N 1 3 274.452 3.422 20 0 CGADHO C[C@H](CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000040240925 397611279 /nfs/dbraw/zinc/61/12/79/397611279.db2.gz CYBVPJCNUUNSSJ-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000394842806 397696544 /nfs/dbraw/zinc/69/65/44/397696544.db2.gz ZZGVHLPXXXPTEA-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)CCOC)C1CCCCC1 ZINC000650131420 397789600 /nfs/dbraw/zinc/78/96/00/397789600.db2.gz MQEFBQGXVCJEGQ-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)CCOC)C1CCCCC1 ZINC000650131420 397789603 /nfs/dbraw/zinc/78/96/03/397789603.db2.gz MQEFBQGXVCJEGQ-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(SC)cc1 ZINC000650718381 397901532 /nfs/dbraw/zinc/90/15/32/397901532.db2.gz JJKPLAQVCYXFLP-UHFFFAOYSA-N 1 3 286.444 3.418 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650753928 397909183 /nfs/dbraw/zinc/90/91/83/397909183.db2.gz YMCDBCIAAXEGNR-KZULUSFZSA-N 1 3 284.378 3.308 20 0 CGADHO CCC[C@@H](NCc1ccccc1C[NH2+]C)c1cccnc1 ZINC000650756470 397909891 /nfs/dbraw/zinc/90/98/91/397909891.db2.gz BMPKGGLWYWSYLU-GOSISDBHSA-N 1 3 283.419 3.432 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000675779198 543364563 /nfs/dbraw/zinc/36/45/63/543364563.db2.gz RMSRTKTXEWTKGS-GJZGRUSLSA-N 1 3 290.451 3.324 20 0 CGADHO Cc1cccc([C@H](C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677241218 543441659 /nfs/dbraw/zinc/44/16/59/543441659.db2.gz NQCIDWMUFCHNSV-NXHRZFHOSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1cccc([C@H](C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677241218 543441661 /nfs/dbraw/zinc/44/16/61/543441661.db2.gz NQCIDWMUFCHNSV-NXHRZFHOSA-N 1 3 272.436 3.315 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000678239421 543499566 /nfs/dbraw/zinc/49/95/66/543499566.db2.gz CDYOQGDWPRZXGT-GOSISDBHSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000678239421 543499567 /nfs/dbraw/zinc/49/95/67/543499567.db2.gz CDYOQGDWPRZXGT-GOSISDBHSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278175 543509380 /nfs/dbraw/zinc/50/93/80/543509380.db2.gz NUEDWFLJNDVZBK-PBHICJAKSA-N 1 3 272.436 3.479 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278175 543509382 /nfs/dbraw/zinc/50/93/82/543509382.db2.gz NUEDWFLJNDVZBK-PBHICJAKSA-N 1 3 272.436 3.479 20 0 CGADHO c1cc(N2CCC([NH2+]C3CCC4(CC4)CC3)CC2)ccn1 ZINC000298160387 296604441 /nfs/dbraw/zinc/60/44/41/296604441.db2.gz SMHYGRNPAQGTIV-UHFFFAOYSA-N 1 3 285.435 3.363 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)n1 ZINC000678413346 543521813 /nfs/dbraw/zinc/52/18/13/543521813.db2.gz HJGFOXIBTQZFQH-GOEBONIOSA-N 1 3 289.467 3.471 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)n1 ZINC000678413345 543521920 /nfs/dbraw/zinc/52/19/20/543521920.db2.gz HJGFOXIBTQZFQH-GDBMZVCRSA-N 1 3 289.467 3.471 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c(C)n1 ZINC000678425180 543524500 /nfs/dbraw/zinc/52/45/00/543524500.db2.gz VUYLLXRBHRVHFM-DOTOQJQBSA-N 1 3 289.467 3.469 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000678603541 543542557 /nfs/dbraw/zinc/54/25/57/543542557.db2.gz XZZFYWAEEVMZFL-SJLPKXTDSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H](N[C@@H]1COc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000678598508 543541092 /nfs/dbraw/zinc/54/10/92/543541092.db2.gz QIMIHXRKQGYTCK-IAQYHMDHSA-N 1 3 294.826 3.093 20 0 CGADHO CC1=CC[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000556263516 289383179 /nfs/dbraw/zinc/38/31/79/289383179.db2.gz BLHSAHNVOGXPKW-JKSUJKDBSA-N 1 3 250.430 3.339 20 0 CGADHO CCO[C@H](CCN[C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000422803061 286446626 /nfs/dbraw/zinc/44/66/26/286446626.db2.gz CJMQHLUIODZNFR-BRWVUGGUSA-N 1 3 284.488 3.338 20 0 CGADHO Cc1ccc2nccc(N3CC[C@H](C)C[C@H]3C[NH3+])c2c1 ZINC000420261740 292398216 /nfs/dbraw/zinc/39/82/16/292398216.db2.gz QOVOTOXLKNTYHK-KBPBESRZSA-N 1 3 269.392 3.107 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423218764 287033504 /nfs/dbraw/zinc/03/35/04/287033504.db2.gz VZXNFEOFHGWPEM-IWMBGFJWSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459217 287065861 /nfs/dbraw/zinc/06/58/61/287065861.db2.gz JBFSWRGNGXNEPJ-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459212 287065794 /nfs/dbraw/zinc/06/57/94/287065794.db2.gz JBFSWRGNGXNEPJ-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081624027 287075400 /nfs/dbraw/zinc/07/54/00/287075400.db2.gz YRAIEOXGLHOECT-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CC[N@@H+]1CCCC[C@@H]1CCN)c1ccccc1 ZINC000070148662 165057863 /nfs/dbraw/zinc/05/78/63/165057863.db2.gz RXRLIYTVQZFIMY-NVXWUHKLSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@H](CC[N@H+]1CCCC[C@@H]1CCN)c1ccccc1 ZINC000070148662 165057866 /nfs/dbraw/zinc/05/78/66/165057866.db2.gz RXRLIYTVQZFIMY-NVXWUHKLSA-N 1 3 260.425 3.384 20 0 CGADHO COc1cccc([C@@H](CNc2cc[nH+]cc2C)N(C)C)c1 ZINC000070489410 165062419 /nfs/dbraw/zinc/06/24/19/165062419.db2.gz GJHUVPNJXLUCOF-QGZVFWFLSA-N 1 3 285.391 3.113 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN(CC)CC)C12CCCC2 ZINC000085678015 165183286 /nfs/dbraw/zinc/18/32/86/165183286.db2.gz SJMDBAFAAYJPLO-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[NH+](CC)CC)C12CCCC2 ZINC000085678015 165183288 /nfs/dbraw/zinc/18/32/88/165183288.db2.gz SJMDBAFAAYJPLO-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@H](Nc2ccnc3ccccc32)CC[N@@H+]1C ZINC000090795310 165243258 /nfs/dbraw/zinc/24/32/58/165243258.db2.gz RJRILGRNQPLCEA-CHWSQXEVSA-N 1 3 255.365 3.129 20 0 CGADHO C[C@@H]1C[C@H](Nc2ccnc3ccccc32)CC[N@H+]1C ZINC000090795310 165243260 /nfs/dbraw/zinc/24/32/60/165243260.db2.gz RJRILGRNQPLCEA-CHWSQXEVSA-N 1 3 255.365 3.129 20 0 CGADHO Cc1cscc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000094878172 165394214 /nfs/dbraw/zinc/39/42/14/165394214.db2.gz JIWWLYUFNBMWLH-UHFFFAOYSA-N 1 3 287.432 3.210 20 0 CGADHO C[C@@H]1CN(CCC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000093844456 287119535 /nfs/dbraw/zinc/11/95/35/287119535.db2.gz VJHWAKQVEJXXMD-HZPDHXFCSA-N 1 3 294.483 3.140 20 0 CGADHO FC(F)Oc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000020128696 171016724 /nfs/dbraw/zinc/01/67/24/171016724.db2.gz GTMYYGSOAWMVQB-UHFFFAOYSA-N 1 3 298.377 3.254 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(Cl)c1 ZINC000020129115 171017156 /nfs/dbraw/zinc/01/71/56/171017156.db2.gz AZEFWRZFNJGSDU-CYBMUJFWSA-N 1 3 266.816 3.477 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000126571862 287268166 /nfs/dbraw/zinc/26/81/66/287268166.db2.gz AAPMOPMTBHMLPC-CYBMUJFWSA-N 1 3 280.481 3.477 20 0 CGADHO CCCN(CCOc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000037539174 173260483 /nfs/dbraw/zinc/26/04/83/173260483.db2.gz MDXWQNMBWRVDAV-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[N@H+](CCOc1ccccc1Cl)C1CCNCC1 ZINC000037539174 173260484 /nfs/dbraw/zinc/26/04/84/173260484.db2.gz MDXWQNMBWRVDAV-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[N@@H+](CCOc1ccccc1Cl)C1CCNCC1 ZINC000037539174 173260485 /nfs/dbraw/zinc/26/04/85/173260485.db2.gz MDXWQNMBWRVDAV-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO c1csc([C@@H](NC2CC[NH2+]CC2)C2CCCC2)c1 ZINC000038041348 174042222 /nfs/dbraw/zinc/04/22/22/174042222.db2.gz AMKKMHFNHFVVLP-HNNXBMFYSA-N 1 3 264.438 3.321 20 0 CGADHO c1csc([C@@H]([NH2+]C2CCNCC2)C2CCCC2)c1 ZINC000038041348 174042224 /nfs/dbraw/zinc/04/22/24/174042224.db2.gz AMKKMHFNHFVVLP-HNNXBMFYSA-N 1 3 264.438 3.321 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCCCCCC2)C1 ZINC000040620903 174355268 /nfs/dbraw/zinc/35/52/68/174355268.db2.gz YWYSKNHQABYOPU-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO N[C@@H]1CCC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071612403 176232551 /nfs/dbraw/zinc/23/25/51/176232551.db2.gz IDCTZAHKDCJNSF-MSOLQXFVSA-N 1 3 272.436 3.211 20 0 CGADHO C1C[C@@H]([NH2+][C@H]2CCCNCC2)C2(C1)CCCCC2 ZINC000313074797 416534561 /nfs/dbraw/zinc/53/45/61/416534561.db2.gz NAVXWXOHKWWFIU-LSDHHAIUSA-N 1 3 250.430 3.221 20 0 CGADHO CCOc1ccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404309921 416552335 /nfs/dbraw/zinc/55/23/35/416552335.db2.gz JXPHUUVEHFUOEQ-RHSMWYFYSA-N 1 3 276.424 3.035 20 0 CGADHO Cc1ccsc1C[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404422806 416555036 /nfs/dbraw/zinc/55/50/36/416555036.db2.gz JPGMTKLBZKQTQM-WCQYABFASA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1C[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404422806 416555043 /nfs/dbraw/zinc/55/50/43/416555043.db2.gz JPGMTKLBZKQTQM-WCQYABFASA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404422806 416555046 /nfs/dbraw/zinc/55/50/46/416555046.db2.gz JPGMTKLBZKQTQM-WCQYABFASA-N 1 3 252.427 3.006 20 0 CGADHO CC[C@H]1CN(Cc2csc3ccccc23)CC[C@@H]1[NH3+] ZINC000122278808 416503115 /nfs/dbraw/zinc/50/31/15/416503115.db2.gz DNFFFDHTWQVQQH-WFASDCNBSA-N 1 3 274.433 3.461 20 0 CGADHO CC[C@H]1CN(CCCOc2cc(C)cc(C)c2)CC[C@@H]1[NH3+] ZINC000122746273 416505409 /nfs/dbraw/zinc/50/54/09/416505409.db2.gz AENITTUPISQXLI-WMZOPIPTSA-N 1 3 290.451 3.132 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCNCC1 ZINC000679463154 543637881 /nfs/dbraw/zinc/63/78/81/543637881.db2.gz QBUMHXDGWSXJGA-DOMZBBRYSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000679463154 543637883 /nfs/dbraw/zinc/63/78/83/543637883.db2.gz QBUMHXDGWSXJGA-DOMZBBRYSA-N 1 3 266.816 3.003 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000681366341 543783810 /nfs/dbraw/zinc/78/38/10/543783810.db2.gz PAUSNUIPRHKEQF-YESZJQIVSA-N 1 3 264.457 3.299 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOC1CCCCCC1 ZINC000131572303 287383909 /nfs/dbraw/zinc/38/39/09/287383909.db2.gz GAOKENWZEMTKHB-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOC1CCCCCC1 ZINC000131572303 287383912 /nfs/dbraw/zinc/38/39/12/287383912.db2.gz GAOKENWZEMTKHB-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccccc2C2CC2)CC1 ZINC000683358866 543910776 /nfs/dbraw/zinc/91/07/76/543910776.db2.gz NBWPMVNMPGBVOL-KRWDZBQOSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC000683358866 543910777 /nfs/dbraw/zinc/91/07/77/543910777.db2.gz NBWPMVNMPGBVOL-KRWDZBQOSA-N 1 3 272.436 3.480 20 0 CGADHO c1c2ccccc2[nH]c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000684019800 543961027 /nfs/dbraw/zinc/96/10/27/543961027.db2.gz CEAWMQYMMXDNCJ-UHFFFAOYSA-N 1 3 297.446 3.476 20 0 CGADHO CN(Cc1cccc2cnccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443787 544071070 /nfs/dbraw/zinc/07/10/70/544071070.db2.gz AZYIYMFMNIJAFY-JWTNVVGKSA-N 1 3 295.430 3.292 20 0 CGADHO CN(Cc1cccc2cnccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443787 544071071 /nfs/dbraw/zinc/07/10/71/544071071.db2.gz AZYIYMFMNIJAFY-JWTNVVGKSA-N 1 3 295.430 3.292 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000652222764 418939008 /nfs/dbraw/zinc/93/90/08/418939008.db2.gz XCHFYSCNVNXWEA-INIZCTEOSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000659974672 419050180 /nfs/dbraw/zinc/05/01/80/419050180.db2.gz OVTAIOAEIPQSLW-DZGCQCFKSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974672 419050185 /nfs/dbraw/zinc/05/01/85/419050185.db2.gz OVTAIOAEIPQSLW-DZGCQCFKSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000659974672 419050189 /nfs/dbraw/zinc/05/01/89/419050189.db2.gz OVTAIOAEIPQSLW-DZGCQCFKSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000659974672 419050190 /nfs/dbraw/zinc/05/01/90/419050190.db2.gz OVTAIOAEIPQSLW-DZGCQCFKSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000665234454 419087266 /nfs/dbraw/zinc/08/72/66/419087266.db2.gz DAOGFFRUEQSNLK-XHSDSOJGSA-N 1 3 264.388 3.006 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc2occc2c1 ZINC000665238493 419088291 /nfs/dbraw/zinc/08/82/91/419088291.db2.gz ZNDGCAGEOYJDLA-HUUCEWRRSA-N 1 3 258.365 3.040 20 0 CGADHO Cc1cccc(C[C@H](NCC2([NH3+])CCCC2)C2CC2)c1 ZINC000665248007 419090488 /nfs/dbraw/zinc/09/04/88/419090488.db2.gz NKEFSCOZUADONS-KRWDZBQOSA-N 1 3 272.436 3.177 20 0 CGADHO NC1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CCCC1 ZINC000665246780 419091090 /nfs/dbraw/zinc/09/10/90/419091090.db2.gz NOAFKISZPPTONI-INIZCTEOSA-N 1 3 283.419 3.406 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C(C)(C)C1(F)F ZINC000665274420 419098816 /nfs/dbraw/zinc/09/88/16/419098816.db2.gz PWSOPKYPEDWXNY-FRRDWIJNSA-N 1 3 274.399 3.178 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000665282465 419102718 /nfs/dbraw/zinc/10/27/18/419102718.db2.gz YXKUOVNSFKCALN-HUUCEWRRSA-N 1 3 252.446 3.452 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000665283180 419102806 /nfs/dbraw/zinc/10/28/06/419102806.db2.gz IYKROODOWJDZEF-GYTBAZASSA-N 1 3 250.430 3.205 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000665281220 419103510 /nfs/dbraw/zinc/10/35/10/419103510.db2.gz XNELTBCOQMNNAU-HUUCEWRRSA-N 1 3 266.816 3.290 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283431 419103607 /nfs/dbraw/zinc/10/36/07/419103607.db2.gz NOHMGFIDUYJTGL-KNIAUWFNSA-N 1 3 250.430 3.062 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)CC(F)(F)F ZINC000665301408 419112411 /nfs/dbraw/zinc/11/24/11/419112411.db2.gz XDPSKJMUXMWVJP-GHMZBOCLSA-N 1 3 266.351 3.072 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCN(C2CCC2)C1 ZINC000660257992 419115211 /nfs/dbraw/zinc/11/52/11/419115211.db2.gz YKODKROVENADNQ-VIQHNZTISA-N 1 3 276.468 3.275 20 0 CGADHO C(C1CCCC1)[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000655948709 419129360 /nfs/dbraw/zinc/12/93/60/419129360.db2.gz AGFLKZUVHCSBFO-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000655948709 419129365 /nfs/dbraw/zinc/12/93/65/419129365.db2.gz AGFLKZUVHCSBFO-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccccc2C(F)(F)F)C1 ZINC000656193190 419148204 /nfs/dbraw/zinc/14/82/04/419148204.db2.gz YQFZMWVPSNGNAG-OLZOCXBDSA-N 1 3 286.341 3.107 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC000656193190 419148206 /nfs/dbraw/zinc/14/82/06/419148206.db2.gz YQFZMWVPSNGNAG-OLZOCXBDSA-N 1 3 286.341 3.107 20 0 CGADHO Cc1ccccc1C1(N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000656200224 419149928 /nfs/dbraw/zinc/14/99/28/419149928.db2.gz IIXAFJFSDOXJBD-HUUCEWRRSA-N 1 3 258.409 3.234 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659093 419177795 /nfs/dbraw/zinc/17/77/95/419177795.db2.gz MTZKQBOEHPYNOZ-SJLPKXTDSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659093 419177799 /nfs/dbraw/zinc/17/77/99/419177799.db2.gz MTZKQBOEHPYNOZ-SJLPKXTDSA-N 1 3 272.436 3.474 20 0 CGADHO CC[C@H]1C[C@@H](NCc2ccc(C[NH+](CC)CC)cc2)CO1 ZINC000657297437 419245720 /nfs/dbraw/zinc/24/57/20/419245720.db2.gz NVFCZONQHCHBNK-MSOLQXFVSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)c1ccccn1 ZINC000656783600 419218219 /nfs/dbraw/zinc/21/82/19/419218219.db2.gz QZIQDTXICNXJDZ-ARFHVFGLSA-N 1 3 275.440 3.086 20 0 CGADHO COc1ccc(C[N@H+](C)CC(C)(C)N)c2ccccc12 ZINC000656781954 419218568 /nfs/dbraw/zinc/21/85/68/419218568.db2.gz ARUGDSPNTOTHIM-UHFFFAOYSA-N 1 3 272.392 3.018 20 0 CGADHO COc1ccc(C[N@@H+](C)CC(C)(C)N)c2ccccc12 ZINC000656781954 419218570 /nfs/dbraw/zinc/21/85/70/419218570.db2.gz ARUGDSPNTOTHIM-UHFFFAOYSA-N 1 3 272.392 3.018 20 0 CGADHO [NH3+]C1(CNCCCc2c(F)cccc2Cl)CCCC1 ZINC000656789494 419220567 /nfs/dbraw/zinc/22/05/67/419220567.db2.gz OXJNAZMWGZIFHI-UHFFFAOYSA-N 1 3 284.806 3.273 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@@H]2c2ccccc2)CCCC1 ZINC000656789618 419221034 /nfs/dbraw/zinc/22/10/34/419221034.db2.gz SVMYXEAHVBGRIT-HZPDHXFCSA-N 1 3 258.409 3.184 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613097 419313708 /nfs/dbraw/zinc/31/37/08/419313708.db2.gz VZLLUGZOBXNFRW-MAUKXSAKSA-N 1 3 287.451 3.072 20 0 CGADHO CC[N@H+](Cc1cccc2c1CCNC2)[C@@H](C)C(C)C ZINC000662255656 419371588 /nfs/dbraw/zinc/37/15/88/419371588.db2.gz ZVSAGDCXILMGTI-AWEZNQCLSA-N 1 3 260.425 3.199 20 0 CGADHO CC[N@@H+](Cc1cccc2c1CCNC2)[C@@H](C)C(C)C ZINC000662255656 419371594 /nfs/dbraw/zinc/37/15/94/419371594.db2.gz ZVSAGDCXILMGTI-AWEZNQCLSA-N 1 3 260.425 3.199 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662264764 419376826 /nfs/dbraw/zinc/37/68/26/419376826.db2.gz LBFPLNANMJIGQD-RDBSUJKOSA-N 1 3 274.399 3.132 20 0 CGADHO C[N@H+](CCSc1cccc(Cl)c1)[C@H](CN)C1CC1 ZINC000662274346 419381040 /nfs/dbraw/zinc/38/10/40/419381040.db2.gz VXGOGVXLQPYYLI-CQSZACIVSA-N 1 3 284.856 3.101 20 0 CGADHO C[N@@H+](CCSc1cccc(Cl)c1)[C@H](CN)C1CC1 ZINC000662274346 419381044 /nfs/dbraw/zinc/38/10/44/419381044.db2.gz VXGOGVXLQPYYLI-CQSZACIVSA-N 1 3 284.856 3.101 20 0 CGADHO c1cc(CN2CCC[C@@H]2c2ccncc2)c2c(c1)C[NH2+]CC2 ZINC000662277194 419382800 /nfs/dbraw/zinc/38/28/00/419382800.db2.gz PMIAGIHHCASPFH-LJQANCHMSA-N 1 3 293.414 3.064 20 0 CGADHO C[C@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284357 419384894 /nfs/dbraw/zinc/38/48/94/419384894.db2.gz MTYSIEAMUQYNKA-BURFUSLBSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284357 419384897 /nfs/dbraw/zinc/38/48/97/419384897.db2.gz MTYSIEAMUQYNKA-BURFUSLBSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284357 419384901 /nfs/dbraw/zinc/38/49/01/419384901.db2.gz MTYSIEAMUQYNKA-BURFUSLBSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCCSCC1)N1CCCCC1 ZINC000657973019 419471986 /nfs/dbraw/zinc/47/19/86/419471986.db2.gz NPPVFPYHKXAUBJ-CABCVRRESA-N 1 3 270.486 3.126 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1cccc2ccccc21 ZINC000663497729 419635716 /nfs/dbraw/zinc/63/57/16/419635716.db2.gz FLDLSVVPMRZILE-QGZVFWFLSA-N 1 3 256.393 3.303 20 0 CGADHO CC(C)[C@H]([NH3+])CCNC[C@H](C)c1cccc(Cl)c1 ZINC000663504120 419639518 /nfs/dbraw/zinc/63/95/18/419639518.db2.gz WHMHLIGEPQIJKP-SWLSCSKDSA-N 1 3 268.832 3.407 20 0 CGADHO CC(C)[C@H](N)CC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000663504120 419639526 /nfs/dbraw/zinc/63/95/26/419639526.db2.gz WHMHLIGEPQIJKP-SWLSCSKDSA-N 1 3 268.832 3.407 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663469572 419623756 /nfs/dbraw/zinc/62/37/56/419623756.db2.gz QOICZZYTVUWZRB-LZWOXQAQSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000658218773 419671679 /nfs/dbraw/zinc/67/16/79/419671679.db2.gz GJXLJFKDGRCDBD-AWEZNQCLSA-N 1 3 274.399 3.274 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422787877 287620155 /nfs/dbraw/zinc/62/01/55/287620155.db2.gz AGZNEJIIBHZFQL-UUAJXVIYSA-N 1 3 264.457 3.323 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000021506034 262389407 /nfs/dbraw/zinc/38/94/07/262389407.db2.gz LQVNYEVCCFIPIZ-MRXNPFEDSA-N 1 3 260.425 3.440 20 0 CGADHO C[NH+](C)CC(C)(C)CN[C@H](c1ccccc1)C1CC1 ZINC000041075188 270030622 /nfs/dbraw/zinc/03/06/22/270030622.db2.gz IQIGKSMDDVEGCV-MRXNPFEDSA-N 1 3 260.425 3.315 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000105480858 270047527 /nfs/dbraw/zinc/04/75/27/270047527.db2.gz KUIBXQLLSNGQBK-PBHICJAKSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000105480858 270047528 /nfs/dbraw/zinc/04/75/28/270047528.db2.gz KUIBXQLLSNGQBK-PBHICJAKSA-N 1 3 274.452 3.414 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187383457 270068552 /nfs/dbraw/zinc/06/85/52/270068552.db2.gz LPKROYAPNMJXAY-JKSUJKDBSA-N 1 3 298.540 3.476 20 0 CGADHO Cc1c([C@@H](C)NCCC2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268000 270074595 /nfs/dbraw/zinc/07/45/95/270074595.db2.gz DWRWDXIYCVLKAV-CQSZACIVSA-N 1 3 292.471 3.155 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000229574242 270088455 /nfs/dbraw/zinc/08/84/55/270088455.db2.gz ZIDDJGGWISOWQV-CABCVRRESA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000229574242 270088456 /nfs/dbraw/zinc/08/84/56/270088456.db2.gz ZIDDJGGWISOWQV-CABCVRRESA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000229574242 270088457 /nfs/dbraw/zinc/08/84/57/270088457.db2.gz ZIDDJGGWISOWQV-CABCVRRESA-N 1 3 278.415 3.077 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527637693 270130319 /nfs/dbraw/zinc/13/03/19/270130319.db2.gz KXAQZZFPYZAKOL-OLZOCXBDSA-N 1 3 274.399 3.274 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527637693 270130320 /nfs/dbraw/zinc/13/03/20/270130320.db2.gz KXAQZZFPYZAKOL-OLZOCXBDSA-N 1 3 274.399 3.274 20 0 CGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000527730155 270132928 /nfs/dbraw/zinc/13/29/28/270132928.db2.gz RFKDTRDNLHDFHZ-BZUAXINKSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527730155 270132929 /nfs/dbraw/zinc/13/29/29/270132929.db2.gz RFKDTRDNLHDFHZ-BZUAXINKSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527730155 270132930 /nfs/dbraw/zinc/13/29/30/270132930.db2.gz RFKDTRDNLHDFHZ-BZUAXINKSA-N 1 3 264.457 3.419 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734700 270133223 /nfs/dbraw/zinc/13/32/23/270133223.db2.gz MAJLPXFUSZANJF-DLBZAZTESA-N 1 3 276.468 3.419 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845127 270139359 /nfs/dbraw/zinc/13/93/59/270139359.db2.gz BXDYLXGDPJKNIU-BZNIZROVSA-N 1 3 296.817 3.398 20 0 CGADHO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(OCCN(C)C)cc1 ZINC000527947059 270146060 /nfs/dbraw/zinc/14/60/60/270146060.db2.gz WKHCCLXXCXDPRX-OAHLLOKOSA-N 1 3 288.435 3.244 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568542 270185143 /nfs/dbraw/zinc/18/51/43/270185143.db2.gz BEBVYMZBJPIWRZ-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568542 270185144 /nfs/dbraw/zinc/18/51/44/270185144.db2.gz BEBVYMZBJPIWRZ-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568542 270185145 /nfs/dbraw/zinc/18/51/45/270185145.db2.gz BEBVYMZBJPIWRZ-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568542 270185146 /nfs/dbraw/zinc/18/51/46/270185146.db2.gz BEBVYMZBJPIWRZ-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CCC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OCC ZINC000530215019 270195711 /nfs/dbraw/zinc/19/57/11/270195711.db2.gz ZOJFHGYLIXMBJU-QBPKDAKJSA-N 1 3 282.472 3.092 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000530216670 270195730 /nfs/dbraw/zinc/19/57/30/270195730.db2.gz BPQOTUAUBKCQPF-VXGBXAGGSA-N 1 3 262.388 3.036 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCNC34CCC4)C2)cc1 ZINC000530215462 270195870 /nfs/dbraw/zinc/19/58/70/270195870.db2.gz GNCPKLVJYURQEI-BRWVUGGUSA-N 1 3 270.420 3.197 20 0 CGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1cc(C)ccc1C ZINC000530224618 270196631 /nfs/dbraw/zinc/19/66/31/270196631.db2.gz RYECYLYIZHCSCA-DOTOQJQBSA-N 1 3 260.425 3.486 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000531692102 270208745 /nfs/dbraw/zinc/20/87/45/270208745.db2.gz KWEIKUOAYBNAQC-HLLBOEOZSA-N 1 3 266.473 3.379 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531955138 270211509 /nfs/dbraw/zinc/21/15/09/270211509.db2.gz OKYMZHBJABCXOR-WMZOPIPTSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531955138 270211510 /nfs/dbraw/zinc/21/15/10/270211510.db2.gz OKYMZHBJABCXOR-WMZOPIPTSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531955138 270211511 /nfs/dbraw/zinc/21/15/11/270211511.db2.gz OKYMZHBJABCXOR-WMZOPIPTSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)cccc21)[C@H](C)N ZINC000423454504 274256976 /nfs/dbraw/zinc/25/69/76/274256976.db2.gz ZGIXTWGGVOELHS-IMSIIYSGSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@@H]1CC2(CN1Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424301168 274284342 /nfs/dbraw/zinc/28/43/42/274284342.db2.gz XIQSYQVCCSQBKW-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCC[C@H]1CCC[NH2+]1)CC3 ZINC000414900396 274765949 /nfs/dbraw/zinc/76/59/49/274765949.db2.gz DIHIWAGSBNHZGI-CABCVRRESA-N 1 3 297.446 3.065 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000415041503 274953343 /nfs/dbraw/zinc/95/33/43/274953343.db2.gz PYNIACRPHQFSJX-UWVGGRQHSA-N 1 3 273.207 3.210 20 0 CGADHO CC(C)[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000488472697 276033231 /nfs/dbraw/zinc/03/32/31/276033231.db2.gz XMPUMQDEVQSHAD-HUUCEWRRSA-N 1 3 284.513 3.369 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439986 276033599 /nfs/dbraw/zinc/03/35/99/276033599.db2.gz ABRZKCQCVOPNRY-VVLHAWIVSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439986 276033600 /nfs/dbraw/zinc/03/36/00/276033600.db2.gz ABRZKCQCVOPNRY-VVLHAWIVSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439986 276033601 /nfs/dbraw/zinc/03/36/01/276033601.db2.gz ABRZKCQCVOPNRY-VVLHAWIVSA-N 1 3 298.540 3.474 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000273411381 276115539 /nfs/dbraw/zinc/11/55/39/276115539.db2.gz WHELYXQEQNCDKR-MRXNPFEDSA-N 1 3 287.451 3.466 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450472619 276307954 /nfs/dbraw/zinc/30/79/54/276307954.db2.gz MASYWHFPDQUCPB-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450472619 276307956 /nfs/dbraw/zinc/30/79/56/276307956.db2.gz MASYWHFPDQUCPB-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472619 276307958 /nfs/dbraw/zinc/30/79/58/276307958.db2.gz MASYWHFPDQUCPB-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472619 276307960 /nfs/dbraw/zinc/30/79/60/276307960.db2.gz MASYWHFPDQUCPB-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCS[C@H]1CCCC[C@@H]1[NH2+]CCCN(CC)CC ZINC000338279537 276400454 /nfs/dbraw/zinc/40/04/54/276400454.db2.gz JIULUIXBDPXHRW-GJZGRUSLSA-N 1 3 272.502 3.372 20 0 CGADHO CN1CCCC[C@@H]1CC[NH+]1CCC2(CCC2)CC1 ZINC000367609375 277043813 /nfs/dbraw/zinc/04/38/13/277043813.db2.gz WMAHTSJSZTURKM-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000423281890 277274696 /nfs/dbraw/zinc/27/46/96/277274696.db2.gz VWCVEAZBBQUTRY-WBVHZDCISA-N 1 3 262.441 3.007 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423255679 277282800 /nfs/dbraw/zinc/28/28/00/277282800.db2.gz ANLDZOWJFDHRDH-DMDPSCGWSA-N 1 3 252.427 3.132 20 0 CGADHO C1CCC2(CC1)CCC([NH2+]C1CCNCC1)CC2 ZINC000448548975 277759282 /nfs/dbraw/zinc/75/92/82/277759282.db2.gz OZQCAXMVYIRHMH-UHFFFAOYSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423203050 277886472 /nfs/dbraw/zinc/88/64/72/277886472.db2.gz BUOKBLNPVIPTFK-MSOLQXFVSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@@H]1COCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000376062574 277940321 /nfs/dbraw/zinc/94/03/21/277940321.db2.gz SZCUFLQENAMWBN-HZPDHXFCSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC000311237115 278025492 /nfs/dbraw/zinc/02/54/92/278025492.db2.gz WXGXVTZXHNNYKQ-FMKPAKJESA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000311237115 278025494 /nfs/dbraw/zinc/02/54/94/278025494.db2.gz WXGXVTZXHNNYKQ-FMKPAKJESA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)[C@@H]1C ZINC000311237115 278025495 /nfs/dbraw/zinc/02/54/95/278025495.db2.gz WXGXVTZXHNNYKQ-FMKPAKJESA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000397258911 288022163 /nfs/dbraw/zinc/02/21/63/288022163.db2.gz JHEJDPZSKOSZAL-LALPHHSUSA-N 1 3 282.378 3.429 20 0 CGADHO Cc1ccc2cc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)ccc2n1 ZINC000397302751 288022652 /nfs/dbraw/zinc/02/26/52/288022652.db2.gz GRLHRRLHROYMSG-YEWWUXTCSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000397409183 288023570 /nfs/dbraw/zinc/02/35/70/288023570.db2.gz VDQOWMPOPVICLN-VNHYZAJKSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@H](NCC1(c2cccs2)CCCCC1)C1C[NH2+]C1 ZINC000422765723 278256234 /nfs/dbraw/zinc/25/62/34/278256234.db2.gz LAHWTFCURCAFTP-ZDUSSCGKSA-N 1 3 278.465 3.148 20 0 CGADHO C[C@H]([NH2+]CC1(c2cccs2)CCCCC1)C1CNC1 ZINC000422765723 278256237 /nfs/dbraw/zinc/25/62/37/278256237.db2.gz LAHWTFCURCAFTP-ZDUSSCGKSA-N 1 3 278.465 3.148 20 0 CGADHO CC1(C)CC[C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423218122 278282546 /nfs/dbraw/zinc/28/25/46/278282546.db2.gz UZFGIKFOJTYDNI-YOEHRIQHSA-N 1 3 272.436 3.388 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)CN(C)C ZINC000293660952 278285316 /nfs/dbraw/zinc/28/53/16/278285316.db2.gz LXKZRNDTCYPEAS-GXTWGEPZSA-N 1 3 264.438 3.011 20 0 CGADHO CC1CCN(CCC[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448056364 278540016 /nfs/dbraw/zinc/54/00/16/278540016.db2.gz MNIVSBWJXRZMAD-UHFFFAOYSA-N 1 3 250.430 3.031 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422903314 288062673 /nfs/dbraw/zinc/06/26/73/288062673.db2.gz FKDSUHYGIRLSFX-GJZGRUSLSA-N 1 3 278.827 3.231 20 0 CGADHO CC[C@H](N[C@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535937 288084750 /nfs/dbraw/zinc/08/47/50/288084750.db2.gz YPLINRFGWDXYSJ-QWHCGFSZSA-N 1 3 252.427 3.306 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371587 288085428 /nfs/dbraw/zinc/08/54/28/288085428.db2.gz YLTBZGFIEFIWLG-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371587 288085429 /nfs/dbraw/zinc/08/54/29/288085429.db2.gz YLTBZGFIEFIWLG-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371587 288085430 /nfs/dbraw/zinc/08/54/30/288085430.db2.gz YLTBZGFIEFIWLG-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371587 288085431 /nfs/dbraw/zinc/08/54/31/288085431.db2.gz YLTBZGFIEFIWLG-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CC[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577975 288098325 /nfs/dbraw/zinc/09/83/25/288098325.db2.gz MSYAPMLYVLQGNU-JKSUJKDBSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945742 288101654 /nfs/dbraw/zinc/10/16/54/288101654.db2.gz BZYKFXRZSJOYJV-WOPDTQHZSA-N 1 3 278.362 3.037 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945742 288101655 /nfs/dbraw/zinc/10/16/55/288101655.db2.gz BZYKFXRZSJOYJV-WOPDTQHZSA-N 1 3 278.362 3.037 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000520618935 288135064 /nfs/dbraw/zinc/13/50/64/288135064.db2.gz CAOOHPRHGHETQM-NVAPOSRTSA-N 1 3 284.447 3.364 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000520618935 288135067 /nfs/dbraw/zinc/13/50/67/288135067.db2.gz CAOOHPRHGHETQM-NVAPOSRTSA-N 1 3 284.447 3.364 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCCNC1 ZINC000423325198 280159308 /nfs/dbraw/zinc/15/93/08/280159308.db2.gz BOXMJJBDXSKPDN-NJAFHUGGSA-N 1 3 287.451 3.087 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000516340738 280184541 /nfs/dbraw/zinc/18/45/41/280184541.db2.gz VDZUMLVGVZCLKD-DOMZBBRYSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000516340738 280184543 /nfs/dbraw/zinc/18/45/43/280184543.db2.gz VDZUMLVGVZCLKD-DOMZBBRYSA-N 1 3 283.419 3.168 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251930038 280265699 /nfs/dbraw/zinc/26/56/99/280265699.db2.gz ZENMTQXIBHWHNQ-WCVJEAGWSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)c1cccc2c1OCCC[C@H]2NC[C@H](C)C[NH3+] ZINC000423301463 280639128 /nfs/dbraw/zinc/63/91/28/280639128.db2.gz TVEBYNBJGGJTAW-CZUORRHYSA-N 1 3 276.424 3.208 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000093212874 280973675 /nfs/dbraw/zinc/97/36/75/280973675.db2.gz OUSZNDWANSQECB-DZKIICNBSA-N 1 3 262.397 3.006 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000094322462 281067716 /nfs/dbraw/zinc/06/77/16/281067716.db2.gz TUWLFJOARXHANP-MRXNPFEDSA-N 1 3 273.424 3.219 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000423132438 281097672 /nfs/dbraw/zinc/09/76/72/281097672.db2.gz UOMCYZORHAWUOS-PVAVHDDUSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@@H]1CN)CCC2 ZINC000423132438 281097673 /nfs/dbraw/zinc/09/76/73/281097673.db2.gz UOMCYZORHAWUOS-PVAVHDDUSA-N 1 3 258.409 3.089 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530176066 288293936 /nfs/dbraw/zinc/29/39/36/288293936.db2.gz AYJMHDDOEFUZLM-YMAMQOFZSA-N 1 3 250.430 3.220 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530179290 288296198 /nfs/dbraw/zinc/29/61/98/288296198.db2.gz SIDZVAJVKYNEHF-IRXDYDNUSA-N 1 3 272.436 3.272 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3Cl)C1 ZINC000531715250 288342461 /nfs/dbraw/zinc/34/24/61/288342461.db2.gz HFXXSZWEZGRCBH-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3Cl)C1 ZINC000531715250 288342463 /nfs/dbraw/zinc/34/24/63/288342463.db2.gz HFXXSZWEZGRCBH-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC1 ZINC000532442756 288361124 /nfs/dbraw/zinc/36/11/24/288361124.db2.gz KKFYOSUFPITAEH-ZBFHGGJFSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H](CN1C[C@H](C)C[C@@H]1C)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000533432393 288381037 /nfs/dbraw/zinc/38/10/37/288381037.db2.gz ZKGBWZMRRKFEMM-QRJUGERDSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000533432393 288381040 /nfs/dbraw/zinc/38/10/40/288381040.db2.gz ZKGBWZMRRKFEMM-QRJUGERDSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1C[C@@H](C)C[C@@H]1C)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000533432393 288381042 /nfs/dbraw/zinc/38/10/42/288381042.db2.gz ZKGBWZMRRKFEMM-QRJUGERDSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1C[C@@H](C)C[C@@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432393 288381043 /nfs/dbraw/zinc/38/10/43/288381043.db2.gz ZKGBWZMRRKFEMM-QRJUGERDSA-N 1 3 252.446 3.083 20 0 CGADHO CCc1nc2ccccc2c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000548791380 289022816 /nfs/dbraw/zinc/02/28/16/289022816.db2.gz JPCGFQORBVYGOY-HIFRSBDPSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1nc2ccccc2c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000548791380 289022817 /nfs/dbraw/zinc/02/28/17/289022817.db2.gz JPCGFQORBVYGOY-HIFRSBDPSA-N 1 3 297.446 3.422 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000552239464 289174120 /nfs/dbraw/zinc/17/41/20/289174120.db2.gz MQPYYNOYHAKKQZ-SJORKVTESA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000342588279 290003389 /nfs/dbraw/zinc/00/33/89/290003389.db2.gz CUTLZSFYWVWPIY-SQWLQELKSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125298668 290248205 /nfs/dbraw/zinc/24/82/05/290248205.db2.gz YSTFKWFSSWBTEG-JMGFVUJMSA-N 1 3 278.827 3.460 20 0 CGADHO NC1(C[NH2+][C@H]2CCC[C@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423521219 295209810 /nfs/dbraw/zinc/20/98/10/295209810.db2.gz GDESUDDDXJVZIE-SGUHVSAXSA-N 1 3 288.479 3.308 20 0 CGADHO [NH3+]CC1CCC(N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000422968542 295224082 /nfs/dbraw/zinc/22/40/82/295224082.db2.gz WXKLJMMYYMQKAR-JFUPDXTOSA-N 1 3 284.403 3.476 20 0 CGADHO COc1cccc(C(C)(C)CN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423002974 295289231 /nfs/dbraw/zinc/28/92/31/295289231.db2.gz KJIYPDLYYYQKGB-SJORKVTESA-N 1 3 290.451 3.222 20 0 CGADHO CSC1(C[NH2+][C@H](C)c2cccs2)CCN(C)CC1 ZINC000353613843 295583162 /nfs/dbraw/zinc/58/31/62/295583162.db2.gz WMXGWAOBUDKVDQ-GFCCVEGCSA-N 1 3 284.494 3.226 20 0 CGADHO Cc1cc(C)c2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000335500136 301209248 /nfs/dbraw/zinc/20/92/48/301209248.db2.gz MULDCGPQZNAYIO-KRWDZBQOSA-N 1 3 286.419 3.026 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000423389156 301807965 /nfs/dbraw/zinc/80/79/65/301807965.db2.gz OAJVXDYPKNUXRQ-ULQDDVLXSA-N 1 3 258.409 3.306 20 0 CGADHO FC(F)(F)CCCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420324471 303112323 /nfs/dbraw/zinc/11/23/23/303112323.db2.gz ZSXIMFDVHZOYDD-ZDUSSCGKSA-N 1 3 278.362 3.041 20 0 CGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCCCC2)cc1 ZINC000415014508 303131341 /nfs/dbraw/zinc/13/13/41/303131341.db2.gz ZVFRQYIRKIJYNS-QAPCUYQASA-N 1 3 290.426 3.441 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000414876562 303360148 /nfs/dbraw/zinc/36/01/48/303360148.db2.gz LONGPYYMADXOJV-ZFWWWQNUSA-N 1 3 278.827 3.447 20 0 CGADHO c1ccc([C@@H](NC[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423327694 304855289 /nfs/dbraw/zinc/85/52/89/304855289.db2.gz DEYKCDOLNFOVPP-RHSMWYFYSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000392204293 329238147 /nfs/dbraw/zinc/23/81/47/329238147.db2.gz LSGZMSMORVTKKU-HNNXBMFYSA-N 1 3 258.409 3.216 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3cccc(F)c3[C@@H]2C)CC[NH2+]1 ZINC000563796198 322010432 /nfs/dbraw/zinc/01/04/32/322010432.db2.gz UQFKTKWZUBQLFI-RDBSUJKOSA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000564312645 322026266 /nfs/dbraw/zinc/02/62/66/322026266.db2.gz GXOIRUOHJZOFSP-MRXNPFEDSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cccc([C@@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000564989415 322052835 /nfs/dbraw/zinc/05/28/35/322052835.db2.gz YWRATDIDWKWFIU-CQSZACIVSA-N 1 3 254.377 3.305 20 0 CGADHO Cc1ncncc1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000566474223 322125026 /nfs/dbraw/zinc/12/50/26/322125026.db2.gz FYDHPZVCARIITJ-HNNXBMFYSA-N 1 3 290.455 3.092 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000566482536 322125733 /nfs/dbraw/zinc/12/57/33/322125733.db2.gz OIJDOQRXKZJSAV-LPWJVIDDSA-N 1 3 278.362 3.215 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000566483988 322126149 /nfs/dbraw/zinc/12/61/49/322126149.db2.gz ZBUPMDBOJAMMPY-CVEARBPZSA-N 1 3 285.435 3.453 20 0 CGADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567627445 322171160 /nfs/dbraw/zinc/17/11/60/322171160.db2.gz RDIOTBYMXPQFKX-TXCZRRACSA-N 1 3 288.435 3.092 20 0 CGADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567627446 322171392 /nfs/dbraw/zinc/17/13/92/322171392.db2.gz RDIOTBYMXPQFKX-YQFWSFKMSA-N 1 3 288.435 3.092 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(Cl)c2cccnc12 ZINC000567870949 322181265 /nfs/dbraw/zinc/18/12/65/322181265.db2.gz AHZKDCUMPVVCAS-MNOVXSKESA-N 1 3 277.799 3.104 20 0 CGADHO COc1cc(C)ccc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000567894698 322182103 /nfs/dbraw/zinc/18/21/03/322182103.db2.gz OPRMQDYELHJSGX-AWEZNQCLSA-N 1 3 284.403 3.313 20 0 CGADHO COc1cc(C)ccc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000568726924 322220056 /nfs/dbraw/zinc/22/00/56/322220056.db2.gz ONVYARUJTQFTNF-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO COc1cc(C)ccc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000568726924 322220057 /nfs/dbraw/zinc/22/00/57/322220057.db2.gz ONVYARUJTQFTNF-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC1(OC)CCC1 ZINC000568774467 322222068 /nfs/dbraw/zinc/22/20/68/322222068.db2.gz IIWHUAJMTZOZTP-DLBZAZTESA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@H]1CCCNC1 ZINC000569106376 322235104 /nfs/dbraw/zinc/23/51/04/322235104.db2.gz XXSMNWWMQOUWBV-LAVFITLUSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)Oc1ccccc1CN1CCC(CC[NH3+])CC1 ZINC000569227991 322239937 /nfs/dbraw/zinc/23/99/37/322239937.db2.gz YZZSIZFJMBDZBH-UHFFFAOYSA-N 1 3 276.424 3.035 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3sccc3c2)C1 ZINC000570582581 322277253 /nfs/dbraw/zinc/27/72/53/322277253.db2.gz AYGNTFGRLMYTOF-KGLIPLIRSA-N 1 3 260.406 3.261 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582873 322277315 /nfs/dbraw/zinc/27/73/15/322277315.db2.gz MDVDWUSWSQFPTQ-HZPDHXFCSA-N 1 3 276.399 3.107 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582873 322277316 /nfs/dbraw/zinc/27/73/16/322277316.db2.gz MDVDWUSWSQFPTQ-HZPDHXFCSA-N 1 3 276.399 3.107 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccsc2)C1 ZINC000570856958 322283958 /nfs/dbraw/zinc/28/39/58/322283958.db2.gz LMNPURFHHIDCRL-GDBMZVCRSA-N 1 3 280.481 3.389 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000572625717 322347155 /nfs/dbraw/zinc/34/71/55/322347155.db2.gz UGPMRDILGSWKTB-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000572625717 322347159 /nfs/dbraw/zinc/34/71/59/322347159.db2.gz UGPMRDILGSWKTB-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000572625717 322347163 /nfs/dbraw/zinc/34/71/63/322347163.db2.gz UGPMRDILGSWKTB-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000572625717 322347166 /nfs/dbraw/zinc/34/71/66/322347166.db2.gz UGPMRDILGSWKTB-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000573324185 322382082 /nfs/dbraw/zinc/38/20/82/322382082.db2.gz JNGVXAPKXYINBL-WFASDCNBSA-N 1 3 294.389 3.347 20 0 CGADHO C[C@H](OCCC[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000574170177 322427490 /nfs/dbraw/zinc/42/74/90/322427490.db2.gz LGRHOBOOLKOXRW-UAGQMJEPSA-N 1 3 276.424 3.014 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2ccccc2)C2CCC2)C1 ZINC000575072301 322472014 /nfs/dbraw/zinc/47/20/14/322472014.db2.gz XIPZYBVKFJBDHU-IKGGRYGDSA-N 1 3 258.409 3.387 20 0 CGADHO C[C@@H](CCN[C@H]1C[C@@H](C)O[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000379620112 330142950 /nfs/dbraw/zinc/14/29/50/330142950.db2.gz CPZVKTVLFQGBNF-LHHMISFZSA-N 1 3 290.451 3.053 20 0 CGADHO C[C@@H](CCN[C@H]1C[C@@H](C)O[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379620112 330142952 /nfs/dbraw/zinc/14/29/52/330142952.db2.gz CPZVKTVLFQGBNF-LHHMISFZSA-N 1 3 290.451 3.053 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000177264133 335369469 /nfs/dbraw/zinc/36/94/69/335369469.db2.gz DCZZPSORQQTXHW-BBWFWOEESA-N 1 3 296.499 3.434 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000578434012 335633395 /nfs/dbraw/zinc/63/33/95/335633395.db2.gz XVNCQBNEXJSJCA-IXDOHACOSA-N 1 3 276.424 3.031 20 0 CGADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578787169 335675578 /nfs/dbraw/zinc/67/55/78/335675578.db2.gz FLFYQTJYDHWGRT-HUUCEWRRSA-N 1 3 296.842 3.141 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000578905447 335688409 /nfs/dbraw/zinc/68/84/09/335688409.db2.gz CIFWFTJNMJOGTA-USXIJHARSA-N 1 3 260.425 3.094 20 0 CGADHO Cc1ccc(CSCCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000579494025 335774123 /nfs/dbraw/zinc/77/41/23/335774123.db2.gz DDJNAXJCLGJGMK-HOTGVXAUSA-N 1 3 278.465 3.088 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cc(Cl)cc2cccnc21 ZINC000579834194 335901328 /nfs/dbraw/zinc/90/13/28/335901328.db2.gz PXUNUYJWCMTBOE-GHMZBOCLSA-N 1 3 277.799 3.104 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000581191142 336022062 /nfs/dbraw/zinc/02/20/62/336022062.db2.gz MLRPKSBGDUOAMV-AEFFLSMTSA-N 1 3 292.442 3.324 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000581191142 336022063 /nfs/dbraw/zinc/02/20/63/336022063.db2.gz MLRPKSBGDUOAMV-AEFFLSMTSA-N 1 3 292.442 3.324 20 0 CGADHO CCCCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000383380159 336108283 /nfs/dbraw/zinc/10/82/83/336108283.db2.gz MNLMKZSQPYTWPE-OAHLLOKOSA-N 1 3 278.440 3.153 20 0 CGADHO CC(C)[NH+]1CCC(NC[C@H]2CSc3ccccc32)CC1 ZINC000387339675 336192951 /nfs/dbraw/zinc/19/29/51/336192951.db2.gz GLBGNLBSTPWBEJ-AWEZNQCLSA-N 1 3 290.476 3.338 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@]3(C)CCOC3)CC2)C1 ZINC000358712566 533761529 /nfs/dbraw/zinc/76/15/29/533761529.db2.gz INKOJAVCXDUBPS-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@]3(C)CCOC3)CC2)C1 ZINC000358712566 533761536 /nfs/dbraw/zinc/76/15/36/533761536.db2.gz INKOJAVCXDUBPS-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000423294083 533772515 /nfs/dbraw/zinc/77/25/15/533772515.db2.gz BGFSEGPODBNRSL-BLLLJJGKSA-N 1 3 264.388 3.241 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](Cc1ccccc1F)c1ccccc1 ZINC000423308549 533774039 /nfs/dbraw/zinc/77/40/39/533774039.db2.gz OTSVFYVHTMPIGL-KBXCAEBGSA-N 1 3 286.394 3.294 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccs1 ZINC000423361903 533925812 /nfs/dbraw/zinc/92/58/12/533925812.db2.gz SOZWRLZWKLEEDZ-NSHDSACASA-N 1 3 258.390 3.202 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423369017 533999553 /nfs/dbraw/zinc/99/95/53/533999553.db2.gz DRQNTAYIVJXZIJ-DRZSPHRISA-N 1 3 284.350 3.209 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000358452283 534067274 /nfs/dbraw/zinc/06/72/74/534067274.db2.gz PEWSNIMVIXFELH-QWHCGFSZSA-N 1 3 298.377 3.233 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000358452283 534067283 /nfs/dbraw/zinc/06/72/83/534067283.db2.gz PEWSNIMVIXFELH-QWHCGFSZSA-N 1 3 298.377 3.233 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423353845 534232028 /nfs/dbraw/zinc/23/20/28/534232028.db2.gz DWCYKXGRMLKGCH-ZDUSSCGKSA-N 1 3 284.378 3.150 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CCCc2ccccc2)C1 ZINC000081578942 521496752 /nfs/dbraw/zinc/49/67/52/521496752.db2.gz FVFCLGGERLRAEL-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CCCc2ccccc2)C1 ZINC000081578942 521496756 /nfs/dbraw/zinc/49/67/56/521496756.db2.gz FVFCLGGERLRAEL-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081578942 521496767 /nfs/dbraw/zinc/49/67/67/521496767.db2.gz FVFCLGGERLRAEL-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081578942 521496770 /nfs/dbraw/zinc/49/67/70/521496770.db2.gz FVFCLGGERLRAEL-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000037643969 522618372 /nfs/dbraw/zinc/61/83/72/522618372.db2.gz XENQXFNQEPKKMO-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643969 522618385 /nfs/dbraw/zinc/61/83/85/522618385.db2.gz XENQXFNQEPKKMO-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643969 522618392 /nfs/dbraw/zinc/61/83/92/522618392.db2.gz XENQXFNQEPKKMO-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO Clc1cccc([C@H]2CCC[C@@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423458410 534648654 /nfs/dbraw/zinc/64/86/54/534648654.db2.gz PYNZBJAOKMHHCM-BMQFZULRSA-N 1 3 290.838 3.174 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]CCCNC2CC2)C2CC2)c1 ZINC000423530314 534723604 /nfs/dbraw/zinc/72/36/04/534723604.db2.gz RAPAHOGMKYOBSX-GOSISDBHSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157589649 524237508 /nfs/dbraw/zinc/23/75/08/524237508.db2.gz ORCNUOQVAHXNFH-VLOYRQLPSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157589649 524237517 /nfs/dbraw/zinc/23/75/17/524237517.db2.gz ORCNUOQVAHXNFH-VLOYRQLPSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1cc(F)ccc1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157469737 524972437 /nfs/dbraw/zinc/97/24/37/524972437.db2.gz FFPUWKRVWMHHGD-ROUUACIJSA-N 1 3 284.378 3.411 20 0 CGADHO Cc1ccccc1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157466081 525116380 /nfs/dbraw/zinc/11/63/80/525116380.db2.gz SQLSKFBAHFLCDV-ZWKOTPCHSA-N 1 3 266.388 3.272 20 0 CGADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H](C)CN ZINC000423374895 534864239 /nfs/dbraw/zinc/86/42/39/534864239.db2.gz UBHBFDQTLQSSPK-UWVGGRQHSA-N 1 3 293.411 3.255 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423286387 527259115 /nfs/dbraw/zinc/25/91/15/527259115.db2.gz GYLDYJUONSXLEO-JSGCOSHPSA-N 1 3 266.816 3.303 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1C[C@H]1C1CCC1 ZINC000424378729 527492158 /nfs/dbraw/zinc/49/21/58/527492158.db2.gz ODNIZTRTPGFNLO-TXTZMMAHSA-N 1 3 276.468 3.323 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCC2 ZINC000357863678 527833134 /nfs/dbraw/zinc/83/31/34/527833134.db2.gz ZSBDVSBLACVCHD-HZPDHXFCSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C12CCC2 ZINC000357863678 527833142 /nfs/dbraw/zinc/83/31/42/527833142.db2.gz ZSBDVSBLACVCHD-HZPDHXFCSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000423264557 527850674 /nfs/dbraw/zinc/85/06/74/527850674.db2.gz ABDVEYXZTRRJQJ-JYJNAYRXSA-N 1 3 252.446 3.308 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@@H]1c1ccccc1 ZINC000423398179 527874269 /nfs/dbraw/zinc/87/42/69/527874269.db2.gz UDXDIBMIUJJMAH-QBPKDAKJSA-N 1 3 272.436 3.428 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423398179 527874277 /nfs/dbraw/zinc/87/42/77/527874277.db2.gz UDXDIBMIUJJMAH-QBPKDAKJSA-N 1 3 272.436 3.428 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000084194273 528087064 /nfs/dbraw/zinc/08/70/64/528087064.db2.gz JCRNZZSUALDYRF-GOSISDBHSA-N 1 3 272.436 3.038 20 0 CGADHO CCC[C@H](CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427119206 528129764 /nfs/dbraw/zinc/12/97/64/528129764.db2.gz GUWKGIXFWKQRPW-KURKYZTESA-N 1 3 272.436 3.254 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074739 528261687 /nfs/dbraw/zinc/26/16/87/528261687.db2.gz OKDUINVBFMDALI-BZUAXINKSA-N 1 3 296.499 3.290 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449088703 528262562 /nfs/dbraw/zinc/26/25/62/528262562.db2.gz BUQGBRLYNBOXNY-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268496 528534207 /nfs/dbraw/zinc/53/42/07/528534207.db2.gz GKVVJQVVSGYHIY-KSSFIOAISA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000359646061 528818203 /nfs/dbraw/zinc/81/82/03/528818203.db2.gz TXLTUFATTNRLCA-WMLDXEAASA-N 1 3 260.425 3.240 20 0 CGADHO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303154 528820584 /nfs/dbraw/zinc/82/05/84/528820584.db2.gz WPJVLSMADAHUQR-HOCLYGCPSA-N 1 3 286.423 3.040 20 0 CGADHO CCCC[C@H](CC)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423534488 528914929 /nfs/dbraw/zinc/91/49/29/528914929.db2.gz WFRUDZJOBGNPNI-YESZJQIVSA-N 1 3 260.425 3.300 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423282899 528952710 /nfs/dbraw/zinc/95/27/10/528952710.db2.gz DIOCGHXOYNDDHI-ZIAGYGMSSA-N 1 3 278.440 3.294 20 0 CGADHO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303153 528955726 /nfs/dbraw/zinc/95/57/26/528955726.db2.gz WPJVLSMADAHUQR-GOEBONIOSA-N 1 3 286.423 3.040 20 0 CGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN ZINC000423302314 528987471 /nfs/dbraw/zinc/98/74/71/528987471.db2.gz VLMDUFDOFYDAKR-BBRMVZONSA-N 1 3 282.859 3.482 20 0 CGADHO CC(C)[C@H](CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427099262 528995162 /nfs/dbraw/zinc/99/51/62/528995162.db2.gz GXJOCIQKHXLOGO-SQNIBIBYSA-N 1 3 272.436 3.110 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)Cc1ccccc1 ZINC000423069759 529015995 /nfs/dbraw/zinc/01/59/95/529015995.db2.gz LZSMBQFELPXLCW-YTQUADARSA-N 1 3 288.479 3.479 20 0 CGADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425930618 529029113 /nfs/dbraw/zinc/02/91/13/529029113.db2.gz ITXNLJKZNUPKDN-WMZOPIPTSA-N 1 3 292.467 3.015 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(Br)cc1 ZINC000423276846 529173473 /nfs/dbraw/zinc/17/34/73/529173473.db2.gz OYDUDQRACVGBIO-ZIAGYGMSSA-N 1 3 299.256 3.473 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449171430 529321278 /nfs/dbraw/zinc/32/12/78/529321278.db2.gz AELBPYVBSYEJKH-WMZOPIPTSA-N 1 3 294.483 3.331 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000414942964 535020948 /nfs/dbraw/zinc/02/09/48/535020948.db2.gz DWEDMKZWWBUYPJ-PVAVHDDUSA-N 1 3 260.425 3.156 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(CCc3ccc(Cl)cc3)C2)C1 ZINC000451072050 536395167 /nfs/dbraw/zinc/39/51/67/536395167.db2.gz UXKPZTGETKLSAV-KRWDZBQOSA-N 1 3 292.854 3.300 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(CCc3ccc(Cl)cc3)C2)C1 ZINC000451072050 536395169 /nfs/dbraw/zinc/39/51/69/536395169.db2.gz UXKPZTGETKLSAV-KRWDZBQOSA-N 1 3 292.854 3.300 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1ccc(OC)c(Cl)c1 ZINC000197657372 572503433 /nfs/dbraw/zinc/50/34/33/572503433.db2.gz KSBZVXIWMDXOAL-UHFFFAOYSA-N 1 3 284.831 3.122 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC)c(Cl)c1 ZINC000197657372 572503438 /nfs/dbraw/zinc/50/34/38/572503438.db2.gz KSBZVXIWMDXOAL-UHFFFAOYSA-N 1 3 284.831 3.122 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000749922604 573059491 /nfs/dbraw/zinc/05/94/91/573059491.db2.gz BXCHDFSSFGBKRM-HWWDLCQESA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000926136106 618155603 /nfs/dbraw/zinc/15/56/03/618155603.db2.gz SZXNXRUEFRKSPM-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO C[NH+]1CCC(CN2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000892120455 618542470 /nfs/dbraw/zinc/54/24/70/618542470.db2.gz LTEUCMULVASSCP-INIZCTEOSA-N 1 3 278.827 3.429 20 0 CGADHO COCCCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCC1 ZINC000892631097 618880217 /nfs/dbraw/zinc/88/02/17/618880217.db2.gz GLIXRHGQVCJYOX-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000925509629 619004414 /nfs/dbraw/zinc/00/44/14/619004414.db2.gz NHOCYHCODSMRGH-KGLIPLIRSA-N 1 3 298.352 3.107 20 0 CGADHO COc1ccc([C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C2CC2)cc1 ZINC000925582256 619073588 /nfs/dbraw/zinc/07/35/88/619073588.db2.gz DNXKNLWXCLNWKG-IXDOHACOSA-N 1 3 286.419 3.006 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2cccc(F)c2F)C1 ZINC000925598731 619080143 /nfs/dbraw/zinc/08/01/43/619080143.db2.gz UEYXDCWXGGFUOD-QWHCGFSZSA-N 1 3 282.378 3.003 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c(C)s1 ZINC000925779699 619242343 /nfs/dbraw/zinc/24/23/43/619242343.db2.gz OQKXZAHTMZFKLU-ZYHUDNBSSA-N 1 3 288.407 3.260 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2(c3cccc(F)c3)CCC2)C12CCC2 ZINC000925830291 619282675 /nfs/dbraw/zinc/28/26/75/619282675.db2.gz GOPVOPCACALTQT-JKSUJKDBSA-N 1 3 288.410 3.107 20 0 CGADHO Cc1cnc(CN[C@H](CCC[NH3+])c2ccccc2)c(C)c1 ZINC000925838538 619288701 /nfs/dbraw/zinc/28/87/01/619288701.db2.gz YPKIMHUJPYSSSB-QGZVFWFLSA-N 1 3 283.419 3.268 20 0 CGADHO CCc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000261566342 619289134 /nfs/dbraw/zinc/28/91/34/619289134.db2.gz GSIMOGOIXNDSOR-ARFHVFGLSA-N 1 3 278.465 3.321 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261652355 619299007 /nfs/dbraw/zinc/29/90/07/619299007.db2.gz BDTVLDRIUUNEBU-CQSZACIVSA-N 1 3 286.341 3.185 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959909 619462437 /nfs/dbraw/zinc/46/24/37/619462437.db2.gz MRKMGGCOSRMSGB-YLFCFFPRSA-N 1 3 262.441 3.051 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H](C[NH3+])C1 ZINC000261979775 619510087 /nfs/dbraw/zinc/51/00/87/619510087.db2.gz RFXZRRPGRWIPRT-GFCCVEGCSA-N 1 3 286.341 3.185 20 0 CGADHO Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1C ZINC000894456879 619544072 /nfs/dbraw/zinc/54/40/72/619544072.db2.gz ROGRNHVUHPVDGV-SFHVURJKSA-N 1 3 274.452 3.166 20 0 CGADHO CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219014 620234765 /nfs/dbraw/zinc/23/47/65/620234765.db2.gz ASGDZHUCVXQXBN-ROUUACIJSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000924688977 620563485 /nfs/dbraw/zinc/56/34/85/620563485.db2.gz VXFOWASZLCCCOO-ZIAGYGMSSA-N 1 3 293.455 3.454 20 0 CGADHO Cc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688977 620563489 /nfs/dbraw/zinc/56/34/89/620563489.db2.gz VXFOWASZLCCCOO-ZIAGYGMSSA-N 1 3 293.455 3.454 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCc3cc(N)ccc32)C1 ZINC000902394897 621303918 /nfs/dbraw/zinc/30/39/18/621303918.db2.gz XPWDRABKSMHWEG-NVXWUHKLSA-N 1 3 287.451 3.014 20 0 CGADHO Clc1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)cc1 ZINC000902466894 621339598 /nfs/dbraw/zinc/33/95/98/621339598.db2.gz OLPAMWXNJPSYCF-BYHHXJKWSA-N 1 3 290.838 3.459 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902484329 621353404 /nfs/dbraw/zinc/35/34/04/621353404.db2.gz VQGPKQWSFWEHKU-JHJVBQTASA-N 1 3 278.362 3.229 20 0 CGADHO CCOC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903175798 621612934 /nfs/dbraw/zinc/61/29/34/621612934.db2.gz VUSBKAGLTSGJDV-ZXFUBFMLSA-N 1 3 292.467 3.083 20 0 CGADHO CCOC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903175798 621612937 /nfs/dbraw/zinc/61/29/37/621612937.db2.gz VUSBKAGLTSGJDV-ZXFUBFMLSA-N 1 3 292.467 3.083 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000903330899 621705301 /nfs/dbraw/zinc/70/53/01/621705301.db2.gz LMBBTRHBGUWXTP-YQQAZPJKSA-N 1 3 296.499 3.433 20 0 CGADHO CC[C@@H]1CCC[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379936 621722402 /nfs/dbraw/zinc/72/24/02/621722402.db2.gz JCFWJZCKGUOIBT-PVAVHDDUSA-N 1 3 275.440 3.243 20 0 CGADHO CCc1ccc2ccccc2c1CN1CCC([NH3+])CC1 ZINC000903420679 621750179 /nfs/dbraw/zinc/75/01/79/621750179.db2.gz FLLPOHLEOUQMEZ-UHFFFAOYSA-N 1 3 268.404 3.325 20 0 CGADHO CC(F)(F)CCC[N@H+](CCCN)CC1CCCC1 ZINC000903453054 621761702 /nfs/dbraw/zinc/76/17/02/621761702.db2.gz XOPOSPYTSXTMRA-UHFFFAOYSA-N 1 3 262.388 3.263 20 0 CGADHO CC(F)(F)CCC[N@@H+](CCCN)CC1CCCC1 ZINC000903453054 621761711 /nfs/dbraw/zinc/76/17/11/621761711.db2.gz XOPOSPYTSXTMRA-UHFFFAOYSA-N 1 3 262.388 3.263 20 0 CGADHO CC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1[NH3+] ZINC000903450299 621760694 /nfs/dbraw/zinc/76/06/94/621760694.db2.gz SWJQYMLEMXUXHQ-DTZQCDIJSA-N 1 3 294.389 3.095 20 0 CGADHO Cc1ccc(-c2nc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)co2)cc1 ZINC000903496387 621766550 /nfs/dbraw/zinc/76/65/50/621766550.db2.gz MBINIBKCOGCDBV-GDBMZVCRSA-N 1 3 299.418 3.067 20 0 CGADHO CC[N@H+](C[C@@H](N)CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884897 621826931 /nfs/dbraw/zinc/82/69/31/621826931.db2.gz HVGVXMYUDMQQRW-AAEUAGOBSA-N 1 3 286.366 3.061 20 0 CGADHO CC[N@@H+](C[C@@H](N)CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000903884897 621826933 /nfs/dbraw/zinc/82/69/33/621826933.db2.gz HVGVXMYUDMQQRW-AAEUAGOBSA-N 1 3 286.366 3.061 20 0 CGADHO Fc1ccc(C2(NCc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000903899517 621830071 /nfs/dbraw/zinc/83/00/71/621830071.db2.gz SVZFJHDEFGHHKB-UHFFFAOYSA-N 1 3 296.389 3.250 20 0 CGADHO CCCCCC[C@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972690 621843847 /nfs/dbraw/zinc/84/38/47/621843847.db2.gz JZTNMKRNUDWXLJ-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904300122 621901036 /nfs/dbraw/zinc/90/10/36/621901036.db2.gz WQIHXOLWTIQQSG-UHFFFAOYSA-N 1 3 286.341 3.195 20 0 CGADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000904374381 621913887 /nfs/dbraw/zinc/91/38/87/621913887.db2.gz RROOHTFFPBCDEF-HRCADAONSA-N 1 3 282.472 3.031 20 0 CGADHO C[C@@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@H]1C[NH3+] ZINC000904410484 621919127 /nfs/dbraw/zinc/91/91/27/621919127.db2.gz FXXOVPYCMUMYLO-OCCSQVGLSA-N 1 3 293.480 3.217 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCSc2ccc(F)cc21 ZINC000227137552 623009138 /nfs/dbraw/zinc/00/91/38/623009138.db2.gz RIHLYDMORNMRDF-NILFDRSVSA-N 1 3 294.439 3.470 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817977868 625630853 /nfs/dbraw/zinc/63/08/53/625630853.db2.gz QWCRGTBUEJCPGS-GUBZILKMSA-N 1 3 274.380 3.388 20 0 CGADHO C[C@H](c1ccccc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198080 623306663 /nfs/dbraw/zinc/30/66/63/623306663.db2.gz FRTOLZLHPUAZAH-CXAGYDPISA-N 1 3 276.399 3.351 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCCC[C@@H]1CN)SC ZINC000232933008 624455099 /nfs/dbraw/zinc/45/50/99/624455099.db2.gz ZPZYWFBHZOFOCS-CHWSQXEVSA-N 1 3 258.475 3.015 20 0 CGADHO CSc1ccc(CNC2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000922844547 626055070 /nfs/dbraw/zinc/05/50/70/626055070.db2.gz DFEPSHLRHQSGOO-UHFFFAOYSA-N 1 3 294.464 3.498 20 0 CGADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502316 626158683 /nfs/dbraw/zinc/15/86/83/626158683.db2.gz WIVYFMPJUPAWAJ-YCPHGPKFSA-N 1 3 299.418 3.319 20 0 CGADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCCC2)cc1C ZINC000753612753 626458804 /nfs/dbraw/zinc/45/88/04/626458804.db2.gz UABQXHGXXKNHSV-INIZCTEOSA-N 1 3 290.451 3.449 20 0 CGADHO COc1cc(C)c([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000753665388 626461527 /nfs/dbraw/zinc/46/15/27/626461527.db2.gz OAHWYMJUARVJOW-JKSUJKDBSA-N 1 3 290.451 3.304 20 0 CGADHO COc1cc(C)c([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665388 626461529 /nfs/dbraw/zinc/46/15/29/626461529.db2.gz OAHWYMJUARVJOW-JKSUJKDBSA-N 1 3 290.451 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](C)C[NH+]1CCCC1 ZINC000765119264 627240960 /nfs/dbraw/zinc/24/09/60/627240960.db2.gz MRKOYHSBLNPHOB-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H]([NH2+]C1CC(C(F)F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000769550714 627564929 /nfs/dbraw/zinc/56/49/29/627564929.db2.gz DPJVSYCSGBVELD-KBHBFKLGSA-N 1 3 286.410 3.273 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299375 628480538 /nfs/dbraw/zinc/48/05/38/628480538.db2.gz RVWVTTWEZHDNMA-YQVWRLOYSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299375 628480540 /nfs/dbraw/zinc/48/05/40/628480540.db2.gz RVWVTTWEZHDNMA-YQVWRLOYSA-N 1 3 284.447 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000785483101 628865879 /nfs/dbraw/zinc/86/58/79/628865879.db2.gz SZPWKFUCWLXFOT-ZWKOTPCHSA-N 1 3 283.419 3.197 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2ccc(Cl)cc21 ZINC000863549104 629604960 /nfs/dbraw/zinc/60/49/60/629604960.db2.gz ZSYGZALAHSXMRA-RBZYPMLTSA-N 1 3 252.789 3.043 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000865589470 630205427 /nfs/dbraw/zinc/20/54/27/630205427.db2.gz LAVUNZBJOUASBO-GOOCMWNKSA-N 1 3 278.827 3.363 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933202 630369796 /nfs/dbraw/zinc/36/97/96/630369796.db2.gz KSGBEOKFHSGCSL-KGLIPLIRSA-N 1 3 272.502 3.180 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCSC(C)(C)C)[C@H](C)C1 ZINC000801933202 630369800 /nfs/dbraw/zinc/36/98/00/630369800.db2.gz KSGBEOKFHSGCSL-KGLIPLIRSA-N 1 3 272.502 3.180 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000811811371 631122657 /nfs/dbraw/zinc/12/26/57/631122657.db2.gz AREXSIBFECJTLC-STQMWFEESA-N 1 3 297.402 3.281 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000811811371 631122659 /nfs/dbraw/zinc/12/26/59/631122659.db2.gz AREXSIBFECJTLC-STQMWFEESA-N 1 3 297.402 3.281 20 0 CGADHO C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000816648551 632035259 /nfs/dbraw/zinc/03/52/59/632035259.db2.gz MAQGKZURLWNCMY-HZPDHXFCSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000816648551 632035271 /nfs/dbraw/zinc/03/52/71/632035271.db2.gz MAQGKZURLWNCMY-HZPDHXFCSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@]1(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1(Cl)Cl ZINC000817935769 632237761 /nfs/dbraw/zinc/23/77/61/632237761.db2.gz DEKPIJWVCTUWBL-WOPDTQHZSA-N 1 3 279.255 3.068 20 0 CGADHO CC[C@@H](NCC[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817937816 632237822 /nfs/dbraw/zinc/23/78/22/632237822.db2.gz XXCJZBQJEAHVSI-GRYCIOLGSA-N 1 3 279.255 3.081 20 0 CGADHO CCC[C@H](NCc1ccc(CC[NH3+])cc1)c1cccnc1 ZINC000817949192 632245184 /nfs/dbraw/zinc/24/51/84/632245184.db2.gz NKZHQSMDWBDTPM-SFHVURJKSA-N 1 3 283.419 3.214 20 0 CGADHO COc1cc(C)c([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C ZINC000817968292 632261395 /nfs/dbraw/zinc/26/13/95/632261395.db2.gz JBOIQFDVMWJPTQ-HUUCEWRRSA-N 1 3 276.424 3.105 20 0 CGADHO COc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000820806528 632679651 /nfs/dbraw/zinc/67/96/51/632679651.db2.gz KFQAWZSWAVAWHK-AWEZNQCLSA-N 1 3 299.418 3.003 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872038594 633957647 /nfs/dbraw/zinc/95/76/47/633957647.db2.gz MXESPXXWYHSPKD-ZDUSSCGKSA-N 1 3 294.414 3.304 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000873223725 634291130 /nfs/dbraw/zinc/29/11/30/634291130.db2.gz RPOYCPARCMKLTP-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000873223725 634291134 /nfs/dbraw/zinc/29/11/34/634291134.db2.gz RPOYCPARCMKLTP-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO [NH3+][C@H](C[C@H]1CCCN(Cc2cncs2)C1)C1CCCC1 ZINC000873232459 634294622 /nfs/dbraw/zinc/29/46/22/634294622.db2.gz QEEREOZHSBTEFI-CZUORRHYSA-N 1 3 293.480 3.263 20 0 CGADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000873243737 634297828 /nfs/dbraw/zinc/29/78/28/634297828.db2.gz CXJBPLOEFZCYAB-CZUORRHYSA-N 1 3 288.435 3.050 20 0 CGADHO CC(C)c1nc([C@@H](C)N[C@@H](C)C2CC[NH2+]CC2)cs1 ZINC000873270851 634313905 /nfs/dbraw/zinc/31/39/05/634313905.db2.gz BMZBMNGLQVNJDB-NWDGAFQWSA-N 1 3 281.469 3.305 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000877521909 635070845 /nfs/dbraw/zinc/07/08/45/635070845.db2.gz FPDNDDFPXCAKBU-UHFFFAOYSA-N 1 3 297.855 3.333 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC000877521909 635070849 /nfs/dbraw/zinc/07/08/49/635070849.db2.gz FPDNDDFPXCAKBU-UHFFFAOYSA-N 1 3 297.855 3.333 20 0 CGADHO C[C@H]1C[C@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795041 635204796 /nfs/dbraw/zinc/20/47/96/635204796.db2.gz WWZMGEFKMMSQIN-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878235231 635427821 /nfs/dbraw/zinc/42/78/21/635427821.db2.gz CDEMVYPKRRILLN-CQSZACIVSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccnc(Cl)c1 ZINC000843344245 635652773 /nfs/dbraw/zinc/65/27/73/635652773.db2.gz RTCCFNFMMKXYHZ-LLVKDONJSA-N 1 3 275.783 3.045 20 0 CGADHO C[C@]1(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@@]1(F)Cl ZINC000844923262 635985092 /nfs/dbraw/zinc/98/50/92/635985092.db2.gz KOQLXVWQFGVWMG-KBXIAJHMSA-N 1 3 282.790 3.426 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844924411 635985918 /nfs/dbraw/zinc/98/59/18/635985918.db2.gz LIXAJJBZWWLWIP-SRVKXCTJSA-N 1 3 279.255 3.068 20 0 CGADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000880474211 636007888 /nfs/dbraw/zinc/00/78/88/636007888.db2.gz UNDKGVIEMAWUNP-INIZCTEOSA-N 1 3 292.467 3.038 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886011004 637359564 /nfs/dbraw/zinc/35/95/64/637359564.db2.gz UORPPKNVZXUAGI-IXDOHACOSA-N 1 3 294.483 3.331 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886025608 637371492 /nfs/dbraw/zinc/37/14/92/637371492.db2.gz IGTLXSZXUPOHEW-OIISXLGYSA-N 1 3 264.457 3.086 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886841659 637714508 /nfs/dbraw/zinc/71/45/08/637714508.db2.gz RNASJQKUZCSANI-YJBOKZPZSA-N 1 3 294.483 3.033 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886841659 637714514 /nfs/dbraw/zinc/71/45/14/637714514.db2.gz RNASJQKUZCSANI-YJBOKZPZSA-N 1 3 294.483 3.033 20 0 CGADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H]1CCC(F)(F)C1 ZINC000887134754 637755870 /nfs/dbraw/zinc/75/58/70/637755870.db2.gz PRARKXVZDWMCHV-KGLIPLIRSA-N 1 3 295.377 3.028 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924577669 638366096 /nfs/dbraw/zinc/36/60/96/638366096.db2.gz LWOPSXIPVYTBMR-QZTJIDSGSA-N 1 3 296.499 3.029 20 0 CGADHO COc1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924616806 638376317 /nfs/dbraw/zinc/37/63/17/638376317.db2.gz WASQLVYNCUAYPE-AWEZNQCLSA-N 1 3 299.418 3.003 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925523860 638518894 /nfs/dbraw/zinc/51/88/94/638518894.db2.gz VOPMVKFIVKAENK-ZNMIVQPWSA-N 1 3 261.413 3.028 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2(c3ccc(F)cc3)CCC2)C12CCC2 ZINC000925547102 638524883 /nfs/dbraw/zinc/52/48/83/638524883.db2.gz OENLMUNJCKLHCS-CVEARBPZSA-N 1 3 288.410 3.107 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1ccccc1C(F)(F)F ZINC000925740640 638591995 /nfs/dbraw/zinc/59/19/95/638591995.db2.gz JDECSTDXFYHEKT-JTQLQIEISA-N 1 3 274.330 3.483 20 0 CGADHO CCC1([NH3+])CCN([C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000925758921 638599984 /nfs/dbraw/zinc/59/99/84/638599984.db2.gz IGBAJOZEDOBVIY-HNNXBMFYSA-N 1 3 298.434 3.137 20 0 CGADHO C[C@@H](NCCCCCC1CC[NH2+]CC1)c1cscn1 ZINC000925806700 638619608 /nfs/dbraw/zinc/61/96/08/638619608.db2.gz GKODKFUCEGRNIB-CYBMUJFWSA-N 1 3 281.469 3.354 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000926706710 638801922 /nfs/dbraw/zinc/80/19/22/638801922.db2.gz WTKBWDHGQMMBDF-CQSZACIVSA-N 1 3 274.399 3.132 20 0 CGADHO C[C@@H](N[C@@H]1CCCn2nccc21)c1cccc(C[NH+](C)C)c1 ZINC000926816026 638815260 /nfs/dbraw/zinc/81/52/60/638815260.db2.gz JYRKRRIVFJQRSD-RHSMWYFYSA-N 1 3 298.434 3.130 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000927099168 638841901 /nfs/dbraw/zinc/84/19/01/638841901.db2.gz AJZCMGSFSMOKNQ-CQSZACIVSA-N 1 3 296.499 3.433 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2CF)[C@@H](C)C1 ZINC000930001450 638967304 /nfs/dbraw/zinc/96/73/04/638967304.db2.gz VDNVOBYICUKWLI-YOEHRIQHSA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2CF)[C@@H](C)C1 ZINC000930001450 638967308 /nfs/dbraw/zinc/96/73/08/638967308.db2.gz VDNVOBYICUKWLI-YOEHRIQHSA-N 1 3 278.415 3.318 20 0 CGADHO CN(C)c1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158265405 805932353 /nfs/dbraw/zinc/93/23/53/805932353.db2.gz GYIHNCOJLPIFOQ-SUMWQHHRSA-N 1 3 290.455 3.103 20 0 CGADHO CN(C)c1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158265404 805932593 /nfs/dbraw/zinc/93/25/93/805932593.db2.gz GYIHNCOJLPIFOQ-GUYCJALGSA-N 1 3 290.455 3.103 20 0 CGADHO CC(C)(C)c1cc(Nc2ccc(OCC[NH3+])cc2)ccn1 ZINC001159689927 806151885 /nfs/dbraw/zinc/15/18/85/806151885.db2.gz JXNNQKXLMZEJKX-UHFFFAOYSA-N 1 3 285.391 3.460 20 0 CGADHO C[N@@H+]1CCC[C@@H](NCc2cc3ccccc3s2)CC1 ZINC001254500839 806420795 /nfs/dbraw/zinc/42/07/95/806420795.db2.gz MBIACMKZHFIRRS-CQSZACIVSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@H+]1CCC[C@@H](NCc2cc3ccccc3s2)CC1 ZINC001254500839 806420802 /nfs/dbraw/zinc/42/08/02/806420802.db2.gz MBIACMKZHFIRRS-CQSZACIVSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CC=C(c3ccccc3)CC2)CC1 ZINC001254528629 806441448 /nfs/dbraw/zinc/44/14/48/806441448.db2.gz HTAHCLIWDVHJPO-SFHVURJKSA-N 1 3 270.420 3.260 20 0 CGADHO C[N@H+]1CCC[C@H](N2CC=C(c3ccccc3)CC2)CC1 ZINC001254528629 806441452 /nfs/dbraw/zinc/44/14/52/806441452.db2.gz HTAHCLIWDVHJPO-SFHVURJKSA-N 1 3 270.420 3.260 20 0 CGADHO CN1CCC[C@@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530278 806442545 /nfs/dbraw/zinc/44/25/45/806442545.db2.gz WISJVGSVCZECPN-HWOWSKLDSA-N 1 3 268.420 3.075 20 0 CGADHO CN1CCC[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530278 806442548 /nfs/dbraw/zinc/44/25/48/806442548.db2.gz WISJVGSVCZECPN-HWOWSKLDSA-N 1 3 268.420 3.075 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC001255059241 806534786 /nfs/dbraw/zinc/53/47/86/806534786.db2.gz UVTQENSTBMXJDB-CHWSQXEVSA-N 1 3 282.453 3.139 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc2c(c1)CCO2 ZINC000037644614 798871251 /nfs/dbraw/zinc/87/12/51/798871251.db2.gz FKORKZIXOQEVAN-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644614 798871253 /nfs/dbraw/zinc/87/12/53/798871253.db2.gz FKORKZIXOQEVAN-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644614 798871255 /nfs/dbraw/zinc/87/12/55/798871255.db2.gz FKORKZIXOQEVAN-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccn1 ZINC001255668904 806700170 /nfs/dbraw/zinc/70/01/70/806700170.db2.gz PAYMZQFXAWRSMI-UYTSQGDYSA-N 1 3 273.424 3.138 20 0 CGADHO CN(Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674992 806702420 /nfs/dbraw/zinc/70/24/20/806702420.db2.gz WQYWZXMLTCKJNC-SJPCQFCGSA-N 1 3 258.409 3.134 20 0 CGADHO CN(Cc1ccccc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674992 806702424 /nfs/dbraw/zinc/70/24/24/806702424.db2.gz WQYWZXMLTCKJNC-SJPCQFCGSA-N 1 3 258.409 3.134 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]C(C)(C)C(C)(C)N ZINC001255735375 806726168 /nfs/dbraw/zinc/72/61/68/806726168.db2.gz DOQGDMUPYIZDFV-NSHDSACASA-N 1 3 284.444 3.412 20 0 CGADHO c1cc2c(s1)[C@@H](Nc1cc[nH+]c(C3CC3)c1)CNC2 ZINC001163228945 806729930 /nfs/dbraw/zinc/72/99/30/806729930.db2.gz FNIVPJPAIRDLEN-AWEZNQCLSA-N 1 3 271.389 3.277 20 0 CGADHO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000385438242 799426698 /nfs/dbraw/zinc/42/66/98/799426698.db2.gz PICPGVSBHFDOGW-RDJZCZTQSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000385438242 799426703 /nfs/dbraw/zinc/42/67/03/799426703.db2.gz PICPGVSBHFDOGW-RDJZCZTQSA-N 1 3 272.436 3.287 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC001255780042 806748229 /nfs/dbraw/zinc/74/82/29/806748229.db2.gz GRYVUYCIQNUESR-JQHSSLGASA-N 1 3 274.452 3.388 20 0 CGADHO C[C@H]([N@H+](C)Cc1cc2c(s1)CCNC2)C(C)(C)C ZINC000687978170 799743873 /nfs/dbraw/zinc/74/38/73/799743873.db2.gz KBXLWKXYHIHBJY-NSHDSACASA-N 1 3 266.454 3.260 20 0 CGADHO C[C@H]([N@@H+](C)Cc1cc2c(s1)CCNC2)C(C)(C)C ZINC000687978170 799743876 /nfs/dbraw/zinc/74/38/76/799743876.db2.gz KBXLWKXYHIHBJY-NSHDSACASA-N 1 3 266.454 3.260 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001257467190 807170364 /nfs/dbraw/zinc/17/03/64/807170364.db2.gz HLEQGUBQZQUNHY-MSOLQXFVSA-N 1 3 297.531 3.207 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCCCCCC2)C1 ZINC000700826861 799881192 /nfs/dbraw/zinc/88/11/92/799881192.db2.gz ONLBJFDYNQNYPZ-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000700826865 799882121 /nfs/dbraw/zinc/88/21/21/799882121.db2.gz ONLBJFDYNQNYPZ-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001255940469 806790473 /nfs/dbraw/zinc/79/04/73/806790473.db2.gz ZBULUHHBBNZQQR-MRXNPFEDSA-N 1 3 262.441 3.329 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1c(F)cccc1F ZINC001255950755 806795643 /nfs/dbraw/zinc/79/56/43/806795643.db2.gz KVQVRJHFKIENFF-CYBMUJFWSA-N 1 3 284.394 3.217 20 0 CGADHO c1ccc(C2CC2)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709872026 800022458 /nfs/dbraw/zinc/02/24/58/800022458.db2.gz WXXQOTBVEOBKDZ-SFHVURJKSA-N 1 3 270.420 3.140 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1(CC(C)C)CCOCC1 ZINC001255954502 806798216 /nfs/dbraw/zinc/79/82/16/806798216.db2.gz WSKLFDKFVUNXRI-MRXNPFEDSA-N 1 3 284.488 3.292 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000715493168 800136105 /nfs/dbraw/zinc/13/61/05/800136105.db2.gz XGFMTNOFIAKGMI-YESZJQIVSA-N 1 3 292.854 3.270 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]CCCN2CCC(C)CC2)CC1 ZINC000718748437 800220233 /nfs/dbraw/zinc/22/02/33/800220233.db2.gz ACNSGZPXEDLXJB-SJORKVTESA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001256568833 806917960 /nfs/dbraw/zinc/91/79/60/806917960.db2.gz HGNKXRMZNPVTCU-KRWDZBQOSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001256568833 806917966 /nfs/dbraw/zinc/91/79/66/806917966.db2.gz HGNKXRMZNPVTCU-KRWDZBQOSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)[NH+]1CCC(N2CCc3ccccc3CC2)CC1 ZINC001256571483 806919452 /nfs/dbraw/zinc/91/94/52/806919452.db2.gz HTYPTKCEJRWNIM-UHFFFAOYSA-N 1 3 286.463 3.350 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC001116289707 802326205 /nfs/dbraw/zinc/32/62/05/802326205.db2.gz ZFGNRJGTFOWKFJ-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001200820573 811749007 /nfs/dbraw/zinc/74/90/07/811749007.db2.gz IZLKULRHXHEDDV-ISIQUDIPSA-N 1 3 288.435 3.171 20 0 CGADHO c1cc(-c2cc(N3CC[NH2+]CC3)ccn2)cc(C2CCC2)c1 ZINC001244979929 803602008 /nfs/dbraw/zinc/60/20/08/803602008.db2.gz OZKQEXWDCZPYRZ-UHFFFAOYSA-N 1 3 293.414 3.426 20 0 CGADHO CCC[NH+]1C[C@H]2CN(Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001137852800 803784765 /nfs/dbraw/zinc/78/47/65/803784765.db2.gz VGGRYBHPZYZXAU-IRXDYDNUSA-N 1 3 272.436 3.077 20 0 CGADHO Cc1c2ccccc2sc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001138463657 803944789 /nfs/dbraw/zinc/94/47/89/803944789.db2.gz KNZBKSYEQZHFQV-OKILXGFUSA-N 1 3 286.444 3.203 20 0 CGADHO Cc1c2ccccc2sc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001138463657 803944793 /nfs/dbraw/zinc/94/47/93/803944793.db2.gz KNZBKSYEQZHFQV-OKILXGFUSA-N 1 3 286.444 3.203 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246066525 804106816 /nfs/dbraw/zinc/10/68/16/804106816.db2.gz RJCQSJZJZZFUQD-HZPDHXFCSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2cccc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246076183 804114589 /nfs/dbraw/zinc/11/45/89/804114589.db2.gz YEMUKMKITGAFPN-FVQHAEBGSA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@H]1C[C@@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246076975 804116349 /nfs/dbraw/zinc/11/63/49/804116349.db2.gz QLXGROMYGNQGDE-RYUDHWBXSA-N 1 3 284.806 3.142 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CCc2ccc(C)cc2)CCN1 ZINC001246094074 804126876 /nfs/dbraw/zinc/12/68/76/804126876.db2.gz FUCBQRGVMVSVKD-QZTJIDSGSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccc(C)cc2)CC[NH2+]1 ZINC001246094074 804126878 /nfs/dbraw/zinc/12/68/78/804126878.db2.gz FUCBQRGVMVSVKD-QZTJIDSGSA-N 1 3 274.452 3.438 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC(C)(C)N ZINC001246100146 804133939 /nfs/dbraw/zinc/13/39/39/804133939.db2.gz LWYJQSCDUNQOGU-JTQLQIEISA-N 1 3 272.845 3.148 20 0 CGADHO CCCC[C@@H](CCC)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246111808 804143580 /nfs/dbraw/zinc/14/35/80/804143580.db2.gz JSKCAHPSJCVICW-HUUCEWRRSA-N 1 3 258.425 3.417 20 0 CGADHO CC1(C)CCC[C@@H](NC[C@@]2(F)CCCC[NH2+]C2)C1 ZINC001246116164 804148556 /nfs/dbraw/zinc/14/85/56/804148556.db2.gz VBPSDECQVMIDIJ-UKRRQHHQSA-N 1 3 256.409 3.027 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2cccnc2c1 ZINC001139171285 804149870 /nfs/dbraw/zinc/14/98/70/804149870.db2.gz QJHFUDHWFWIEJA-UHFFFAOYSA-N 1 3 285.435 3.399 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246118514 804151258 /nfs/dbraw/zinc/15/12/58/804151258.db2.gz ZYPNXCGCVGFWOX-LXTVHRRPSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@@H]1CCCC[NH2+]C1 ZINC001246118599 804151464 /nfs/dbraw/zinc/15/14/64/804151464.db2.gz SQQBBJWZZWONRG-ZIAGYGMSSA-N 1 3 296.455 3.286 20 0 CGADHO Cc1cccc2[nH]cc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c21 ZINC001139200501 804159754 /nfs/dbraw/zinc/15/97/54/804159754.db2.gz ZFPXKIIHDGUPFY-GOSISDBHSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1cccc2[nH]cc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c21 ZINC001139200501 804159760 /nfs/dbraw/zinc/15/97/60/804159760.db2.gz ZFPXKIIHDGUPFY-GOSISDBHSA-N 1 3 283.419 3.004 20 0 CGADHO c1ccc(Oc2ccc(CC[NH2+]C3CCNCC3)cc2)cc1 ZINC001246160478 804177855 /nfs/dbraw/zinc/17/78/55/804177855.db2.gz UNKMTQWFPTWUFH-UHFFFAOYSA-N 1 3 296.414 3.363 20 0 CGADHO c1ccc(Oc2ccc(CCNC3CC[NH2+]CC3)cc2)cc1 ZINC001246160478 804177858 /nfs/dbraw/zinc/17/78/58/804177858.db2.gz UNKMTQWFPTWUFH-UHFFFAOYSA-N 1 3 296.414 3.363 20 0 CGADHO CC[C@@H]1CC(NCCc2ccc(C)s2)C[C@@H](CC)[NH2+]1 ZINC001246168227 804182904 /nfs/dbraw/zinc/18/29/04/804182904.db2.gz IKBVSPGIKFNTED-ZIAGYGMSSA-N 1 3 280.481 3.498 20 0 CGADHO CCC[C@@H](Cc1ccccc1)NC[C@H]1CCCC[NH2+]1 ZINC001246169385 804183881 /nfs/dbraw/zinc/18/38/81/804183881.db2.gz NGIFKKJOSLNDIQ-DLBZAZTESA-N 1 3 260.425 3.130 20 0 CGADHO CC(C)[C@H]1C[C@H](N[C@H](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246179400 804193504 /nfs/dbraw/zinc/19/35/04/804193504.db2.gz MWATUNAVCIGRCC-KBRIMQKVSA-N 1 3 278.415 3.123 20 0 CGADHO C[C@]1(N[C@H]2CCC[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246188153 804198636 /nfs/dbraw/zinc/19/86/36/804198636.db2.gz HSLJDFOPQKEYJO-BZSNNMDCSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@H](N)C1 ZINC001246192043 804201065 /nfs/dbraw/zinc/20/10/65/804201065.db2.gz YGOWKTYFYDGXFN-DLOVCJGASA-N 1 3 287.234 3.394 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]([NH3+])C1 ZINC001246192043 804201073 /nfs/dbraw/zinc/20/10/73/804201073.db2.gz YGOWKTYFYDGXFN-DLOVCJGASA-N 1 3 287.234 3.394 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@H]3CCN3)ccc2c1 ZINC001246197784 804203774 /nfs/dbraw/zinc/20/37/74/804203774.db2.gz ANZIPXJRBXSTOP-RDTXWAMCSA-N 1 3 298.430 3.121 20 0 CGADHO C[C@H]1C[C@H](NCCSCc2ccccc2Cl)CC[NH2+]1 ZINC001246200208 804205112 /nfs/dbraw/zinc/20/51/12/804205112.db2.gz AYKQUXDXMPAYHH-GXTWGEPZSA-N 1 3 298.883 3.303 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCSCc2ccccc2Cl)CCN1 ZINC001246200208 804205119 /nfs/dbraw/zinc/20/51/19/804205119.db2.gz AYKQUXDXMPAYHH-GXTWGEPZSA-N 1 3 298.883 3.303 20 0 CGADHO C[NH2+]CC[C@H](C)NCCSCc1ccccc1Cl ZINC001246205462 804206991 /nfs/dbraw/zinc/20/69/91/804206991.db2.gz TXHUFTDHQALZKR-LBPRGKRZSA-N 1 3 286.872 3.161 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246219751 804214815 /nfs/dbraw/zinc/21/48/15/804214815.db2.gz CRZWFJSUVNBQEN-KKUMJFAQSA-N 1 3 258.425 3.273 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246231731 804225697 /nfs/dbraw/zinc/22/56/97/804225697.db2.gz DTSPZXONPINDAU-DLBZAZTESA-N 1 3 290.451 3.138 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CCc2ccc(OC)cc2)CCN1 ZINC001246231731 804225702 /nfs/dbraw/zinc/22/57/02/804225702.db2.gz DTSPZXONPINDAU-DLBZAZTESA-N 1 3 290.451 3.138 20 0 CGADHO CC[C@H]1CC(NCCCOc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246239501 804232062 /nfs/dbraw/zinc/23/20/62/804232062.db2.gz RROSRAUEULDBSC-HOTGVXAUSA-N 1 3 290.451 3.354 20 0 CGADHO CC(C)(CN)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246249171 804237926 /nfs/dbraw/zinc/23/79/26/804237926.db2.gz JGJKMSZIXQJNON-UHFFFAOYSA-N 1 3 252.446 3.454 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246306200 804269477 /nfs/dbraw/zinc/26/94/77/804269477.db2.gz QNEPKRPISJGSHW-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246325673 804281801 /nfs/dbraw/zinc/28/18/01/804281801.db2.gz KQWYBOJUSRZUBX-IRXDYDNUSA-N 1 3 296.405 3.408 20 0 CGADHO Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC001246330265 804286671 /nfs/dbraw/zinc/28/66/71/804286671.db2.gz CDINUCJUKVAHKM-UKRRQHHQSA-N 1 3 266.454 3.049 20 0 CGADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC001246333917 804289028 /nfs/dbraw/zinc/28/90/28/804289028.db2.gz RTHSSKGINIDDNZ-UONOGXRCSA-N 1 3 286.423 3.007 20 0 CGADHO C[C@H]1CC([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C[C@H](C)N1 ZINC001246340370 804293147 /nfs/dbraw/zinc/29/31/47/804293147.db2.gz UGTBRRVAGQSBGV-RYUDHWBXSA-N 1 3 286.612 3.228 20 0 CGADHO CC(C)c1ccc(CC[NH2+]C2C[C@@H](C)N[C@H](C)C2)cc1 ZINC001246344691 804295918 /nfs/dbraw/zinc/29/59/18/804295918.db2.gz RQGWUJOQWVCYRX-HUUCEWRRSA-N 1 3 274.452 3.471 20 0 CGADHO Cc1ccc(CC2(C[NH2+]C3C[C@H](C)N[C@@H](C)C3)CC2)cc1 ZINC001246382317 804313248 /nfs/dbraw/zinc/31/32/48/804313248.db2.gz CHIZRLJVZHBBMB-HOTGVXAUSA-N 1 3 286.463 3.436 20 0 CGADHO Cc1ccc(CC2(C[NH2+][C@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC001246384576 804316014 /nfs/dbraw/zinc/31/60/14/804316014.db2.gz QFYSYVOYPXWAOG-RDJZCZTQSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)C1 ZINC001246387129 804316963 /nfs/dbraw/zinc/31/69/63/804316963.db2.gz BUKSYVJDPZCCGI-YOEHRIQHSA-N 1 3 290.426 3.269 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246387473 804317305 /nfs/dbraw/zinc/31/73/05/804317305.db2.gz FUTHXRDFUZGZMR-INIZCTEOSA-N 1 3 290.426 3.411 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246387492 804317786 /nfs/dbraw/zinc/31/77/86/804317786.db2.gz GCZAJIVKDNLFFU-INIZCTEOSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)CCN1 ZINC001246403415 804321006 /nfs/dbraw/zinc/32/10/06/804321006.db2.gz DUAJLQBZRXUPRL-GXTWGEPZSA-N 1 3 286.410 3.465 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430703 804328818 /nfs/dbraw/zinc/32/88/18/804328818.db2.gz HJTMHBUAWIFBBB-JKSUJKDBSA-N 1 3 264.457 3.467 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)NC3(C[NH3+])CC3)ccc2c1 ZINC001246444537 804333565 /nfs/dbraw/zinc/33/35/65/804333565.db2.gz CLNRQYOLBOABAO-CQSZACIVSA-N 1 3 298.430 3.250 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](C)CC(C)(C)SC)CCN1 ZINC001246455826 804337561 /nfs/dbraw/zinc/33/75/61/804337561.db2.gz KLUSWIKXFDGPKM-JSGCOSHPSA-N 1 3 258.475 3.028 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246456415 804338231 /nfs/dbraw/zinc/33/82/31/804338231.db2.gz ABNKVVIIXYYOOK-LEWSCRJBSA-N 1 3 286.341 3.106 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246460567 804342903 /nfs/dbraw/zinc/34/29/03/804342903.db2.gz VBHBGJZWCBUGHX-YIDVYQOGSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(F)c(C)c1 ZINC001246466803 804346393 /nfs/dbraw/zinc/34/63/93/804346393.db2.gz ACFSHXSVOJWDBC-HOCLYGCPSA-N 1 3 264.388 3.317 20 0 CGADHO Cc1cccc([C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C(C)C)c1 ZINC001246472916 804351571 /nfs/dbraw/zinc/35/15/71/804351571.db2.gz FYIYJOQRLVOMIN-USXIJHARSA-N 1 3 260.425 3.422 20 0 CGADHO Cc1cccc([C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C(C)C)c1 ZINC001246472916 804351575 /nfs/dbraw/zinc/35/15/75/804351575.db2.gz FYIYJOQRLVOMIN-USXIJHARSA-N 1 3 260.425 3.422 20 0 CGADHO C(CCC1CCCCC1)CN[C@H]1CCCC[NH2+]C1 ZINC001246476449 804351744 /nfs/dbraw/zinc/35/17/44/804351744.db2.gz BXVXGYRGDKZSBH-INIZCTEOSA-N 1 3 252.446 3.469 20 0 CGADHO CC(C)(C)[C@H]1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246487692 804357475 /nfs/dbraw/zinc/35/74/75/804357475.db2.gz FFCZUNYISFPWKK-QLFBSQMISA-N 1 3 252.446 3.323 20 0 CGADHO [NH3+]C[C@@H](NC1CCC2(CCOCC2)CC1)c1ccccc1 ZINC001246506808 804364926 /nfs/dbraw/zinc/36/49/26/804364926.db2.gz KYOLPQQWRSLXLG-QGZVFWFLSA-N 1 3 288.435 3.015 20 0 CGADHO CC[C@H]([NH2+]C1CCC2(CCc3ccccc32)CC1)C1CNC1 ZINC001246514560 804369654 /nfs/dbraw/zinc/36/96/54/804369654.db2.gz IEMSOKWFKXUQTB-SYYJFZTOSA-N 1 3 298.474 3.401 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C(C)C)C2CNC2)cc1 ZINC001246519565 804373357 /nfs/dbraw/zinc/37/33/57/804373357.db2.gz SHJRJPHAQUTYKK-YJBOKZPZSA-N 1 3 274.452 3.150 20 0 CGADHO C[C@@]1([NH3+])CCN(C2CCC(Cc3ccccc3)CC2)C1 ZINC001246530808 804381086 /nfs/dbraw/zinc/38/10/86/804381086.db2.gz OEIIAPSYWCBYLU-DAWZGUTISA-N 1 3 272.436 3.211 20 0 CGADHO N[C@H]1CCC[N@@H+](C2CCC3(CCCC3)CC2)CC1 ZINC001246538626 804387797 /nfs/dbraw/zinc/38/77/97/804387797.db2.gz DMBYKDBSEYEOCQ-AWEZNQCLSA-N 1 3 250.430 3.303 20 0 CGADHO N[C@H]1CCC[N@H+](C2CCC3(CCCC3)CC2)CC1 ZINC001246538626 804387807 /nfs/dbraw/zinc/38/78/07/804387807.db2.gz DMBYKDBSEYEOCQ-AWEZNQCLSA-N 1 3 250.430 3.303 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](C)C2)c1 ZINC001246538823 804388671 /nfs/dbraw/zinc/38/86/71/804388671.db2.gz OFMFDEBGURHIQK-UAGQMJEPSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](C)C2)c1 ZINC001246538823 804388681 /nfs/dbraw/zinc/38/86/81/804388681.db2.gz OFMFDEBGURHIQK-UAGQMJEPSA-N 1 3 258.409 3.272 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CCC[C@@](C)([NH3+])CC1 ZINC001246548499 804397864 /nfs/dbraw/zinc/39/78/64/804397864.db2.gz GPWYCXMFWOTOFN-XJKSGUPXSA-N 1 3 280.843 3.474 20 0 CGADHO C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551245 804400897 /nfs/dbraw/zinc/40/08/97/804400897.db2.gz XOYOCGMDLRKZRW-SIXLDLHFSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551245 804400900 /nfs/dbraw/zinc/40/09/00/804400900.db2.gz XOYOCGMDLRKZRW-SIXLDLHFSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551245 804400904 /nfs/dbraw/zinc/40/09/04/804400904.db2.gz XOYOCGMDLRKZRW-SIXLDLHFSA-N 1 3 270.420 3.279 20 0 CGADHO CC1(C)CCC[N@@H+]1[C@H]1CCNC2(CCCCC2)C1 ZINC001246550300 804400940 /nfs/dbraw/zinc/40/09/40/804400940.db2.gz OERWVXJDSGUYSV-AWEZNQCLSA-N 1 3 250.430 3.316 20 0 CGADHO CC1(C)CCC[N@H+]1[C@H]1CCNC2(CCCCC2)C1 ZINC001246550300 804400944 /nfs/dbraw/zinc/40/09/44/804400944.db2.gz OERWVXJDSGUYSV-AWEZNQCLSA-N 1 3 250.430 3.316 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552055 804402583 /nfs/dbraw/zinc/40/25/83/804402583.db2.gz NPOXJQOZBOLMBZ-XJKSGUPXSA-N 1 3 278.827 3.011 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCCC[C@H](C)C2)C[C@@H](CC)N1 ZINC001246554945 804404858 /nfs/dbraw/zinc/40/48/58/804404858.db2.gz CZXWODVEVOEIEM-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCCC[C@H](C)C2)C[C@@H](CC)N1 ZINC001246554945 804404859 /nfs/dbraw/zinc/40/48/59/804404859.db2.gz CZXWODVEVOEIEM-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246560058 804408698 /nfs/dbraw/zinc/40/86/98/804408698.db2.gz RNMIHUUNYUOJFI-RRFJBIMHSA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246560058 804408700 /nfs/dbraw/zinc/40/87/00/804408700.db2.gz RNMIHUUNYUOJFI-RRFJBIMHSA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@H](N2CCC[C@H](F)CC2)CC[NH2+]1 ZINC001246560058 804408704 /nfs/dbraw/zinc/40/87/04/804408704.db2.gz RNMIHUUNYUOJFI-RRFJBIMHSA-N 1 3 256.409 3.121 20 0 CGADHO CCCCCC1CCC(N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246563149 804411597 /nfs/dbraw/zinc/41/15/97/804411597.db2.gz OZVOAMLUMDOXFS-PRLABOORSA-N 1 3 252.446 3.405 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246563484 804412202 /nfs/dbraw/zinc/41/22/02/804412202.db2.gz KBUXLGPORBYMBQ-KBXIAJHMSA-N 1 3 252.446 3.260 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246563484 804412204 /nfs/dbraw/zinc/41/22/04/804412204.db2.gz KBUXLGPORBYMBQ-KBXIAJHMSA-N 1 3 252.446 3.260 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563792 804413898 /nfs/dbraw/zinc/41/38/98/804413898.db2.gz BYJILGJRWJIIOR-YCPHGPKFSA-N 1 3 270.436 3.367 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563792 804413903 /nfs/dbraw/zinc/41/39/03/804413903.db2.gz BYJILGJRWJIIOR-YCPHGPKFSA-N 1 3 270.436 3.367 20 0 CGADHO CC(C)=CCC[C@H](C)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001246573417 804420340 /nfs/dbraw/zinc/42/03/40/804420340.db2.gz CERLKFDGIOPZOB-LSDHHAIUSA-N 1 3 256.409 3.274 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579960 804424619 /nfs/dbraw/zinc/42/46/19/804424619.db2.gz DOQCCFQSEZRVNQ-MAUKXSAKSA-N 1 3 274.452 3.241 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579960 804424626 /nfs/dbraw/zinc/42/46/26/804424626.db2.gz DOQCCFQSEZRVNQ-MAUKXSAKSA-N 1 3 274.452 3.241 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246582851 804428475 /nfs/dbraw/zinc/42/84/75/804428475.db2.gz HTKAMAFAWFVBKT-RHSMWYFYSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246582851 804428478 /nfs/dbraw/zinc/42/84/78/804428478.db2.gz HTKAMAFAWFVBKT-RHSMWYFYSA-N 1 3 278.415 3.208 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246585634 804429727 /nfs/dbraw/zinc/42/97/27/804429727.db2.gz YNNRSMMRBDYLKA-AEFFLSMTSA-N 1 3 274.452 3.377 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246585634 804429730 /nfs/dbraw/zinc/42/97/30/804429730.db2.gz YNNRSMMRBDYLKA-AEFFLSMTSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246591638 804433575 /nfs/dbraw/zinc/43/35/75/804433575.db2.gz NHPIKVNTTCOHPX-NFAWXSAZSA-N 1 3 292.854 3.257 20 0 CGADHO CCCC[C@@H](CC(C)C)N1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246606811 804442235 /nfs/dbraw/zinc/44/22/35/804442235.db2.gz BXUJUPNVSXJARF-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC1(C)CC[C@@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246616422 804450243 /nfs/dbraw/zinc/45/02/43/804450243.db2.gz WHKKOKMWGZMOLG-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@H](N2CCC[C@]3(CCC[NH2+]3)C2)C1 ZINC001246623464 804456083 /nfs/dbraw/zinc/45/60/83/804456083.db2.gz TXNCGBLCRCESDW-GOEBONIOSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001246625723 804456796 /nfs/dbraw/zinc/45/67/96/804456796.db2.gz SNJIZFGYOYTIOO-HLLBOEOZSA-N 1 3 290.476 3.159 20 0 CGADHO CCCCCC1CCC([N@@H+]2CCC3(CNC3)C2)CC1 ZINC001246628739 804458928 /nfs/dbraw/zinc/45/89/28/804458928.db2.gz DCAYBBKDMRFNNB-UHFFFAOYSA-N 1 3 264.457 3.421 20 0 CGADHO CCCCCC1CCC([N@H+]2CCC3(CNC3)C2)CC1 ZINC001246628739 804458931 /nfs/dbraw/zinc/45/89/31/804458931.db2.gz DCAYBBKDMRFNNB-UHFFFAOYSA-N 1 3 264.457 3.421 20 0 CGADHO CCc1ccc(C[C@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246630984 804460620 /nfs/dbraw/zinc/46/06/20/804460620.db2.gz QKOYMHQDXZYHIT-QFBILLFUSA-N 1 3 286.463 3.256 20 0 CGADHO CC[C@H]1C[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246644128 804471684 /nfs/dbraw/zinc/47/16/84/804471684.db2.gz JQSVHHXFEQUEMX-ZWKOTPCHSA-N 1 3 298.474 3.497 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCCC12CCNCC2 ZINC001246647883 804476036 /nfs/dbraw/zinc/47/60/36/804476036.db2.gz UVCMAKSYLMXMCA-AWEZNQCLSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCCC12CCNCC2 ZINC001246647883 804476038 /nfs/dbraw/zinc/47/60/38/804476038.db2.gz UVCMAKSYLMXMCA-AWEZNQCLSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCCC[C@]23CCCNC3)C[C@@H](C)C1 ZINC001246650139 804477758 /nfs/dbraw/zinc/47/77/58/804477758.db2.gz HFEHAYDRLAYNIG-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCCC[C@]23CCCNC3)C[C@@H](C)C1 ZINC001246650139 804477762 /nfs/dbraw/zinc/47/77/62/804477762.db2.gz HFEHAYDRLAYNIG-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654171 804479983 /nfs/dbraw/zinc/47/99/83/804479983.db2.gz VHMKBPJEDFERLZ-XMTFNYHQSA-N 1 3 270.420 3.007 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660454 804483296 /nfs/dbraw/zinc/48/32/96/804483296.db2.gz UGRKFDSBGJDEFN-JONQDZQNSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660454 804483298 /nfs/dbraw/zinc/48/32/98/804483298.db2.gz UGRKFDSBGJDEFN-JONQDZQNSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661407 804485273 /nfs/dbraw/zinc/48/52/73/804485273.db2.gz WVDJCPVWBIECKP-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661407 804485275 /nfs/dbraw/zinc/48/52/75/804485275.db2.gz WVDJCPVWBIECKP-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246669531 804488044 /nfs/dbraw/zinc/48/80/44/804488044.db2.gz BDWSGVXNZYQRQF-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246669531 804488046 /nfs/dbraw/zinc/48/80/46/804488046.db2.gz BDWSGVXNZYQRQF-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246669531 804488050 /nfs/dbraw/zinc/48/80/50/804488050.db2.gz BDWSGVXNZYQRQF-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCCCC1CC[NH+]([C@H]2CCNC(C)(C)C2)CC1 ZINC001246681506 804494629 /nfs/dbraw/zinc/49/46/29/804494629.db2.gz PBPARPOXQTYTRQ-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246689367 804497380 /nfs/dbraw/zinc/49/73/80/804497380.db2.gz JIWSQVDRWORHBQ-XHSDSOJGSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246689367 804497385 /nfs/dbraw/zinc/49/73/85/804497385.db2.gz JIWSQVDRWORHBQ-XHSDSOJGSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(CCc3ccccc3)CC2)CCN1 ZINC001246779471 804506966 /nfs/dbraw/zinc/50/69/66/804506966.db2.gz HSGDPFNAOSFWKK-APWZRJJASA-N 1 3 286.463 3.472 20 0 CGADHO COc1ccc(C2CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246784234 804510260 /nfs/dbraw/zinc/51/02/60/804510260.db2.gz FNZLZLGIHBQDQO-WMLDXEAASA-N 1 3 288.435 3.015 20 0 CGADHO COc1ccc(C2CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC001246784234 804510263 /nfs/dbraw/zinc/51/02/63/804510263.db2.gz FNZLZLGIHBQDQO-WMLDXEAASA-N 1 3 288.435 3.015 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H](CN)C1 ZINC001246796632 804520255 /nfs/dbraw/zinc/52/02/55/804520255.db2.gz MTEMHTZYDFOTTP-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](CN)C1 ZINC001246796632 804520260 /nfs/dbraw/zinc/52/02/60/804520260.db2.gz MTEMHTZYDFOTTP-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO COc1cccc([C@@H]2CCCCN2[C@@H]2CCC[NH2+]CC2)c1 ZINC001246807641 804524855 /nfs/dbraw/zinc/52/48/55/804524855.db2.gz OOBXFENHNJFKGV-AEFFLSMTSA-N 1 3 288.435 3.364 20 0 CGADHO CCOc1ccc([C@H]2CCCN2[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822669 804536531 /nfs/dbraw/zinc/53/65/31/804536531.db2.gz MIZQSLDOJJEIQE-QGPMSJSTSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246822669 804536534 /nfs/dbraw/zinc/53/65/34/804536534.db2.gz MIZQSLDOJJEIQE-QGPMSJSTSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246822669 804536538 /nfs/dbraw/zinc/53/65/38/804536538.db2.gz MIZQSLDOJJEIQE-QGPMSJSTSA-N 1 3 288.435 3.363 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246828982 804539225 /nfs/dbraw/zinc/53/92/25/804539225.db2.gz UNZDQOZJPDRRJB-RDTXWAMCSA-N 1 3 290.426 3.221 20 0 CGADHO C[N@H+](CC1CCCC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246840713 804549640 /nfs/dbraw/zinc/54/96/40/804549640.db2.gz JKFHBBFUZAKUJX-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO C[N@@H+](CC1CCCC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246840713 804549646 /nfs/dbraw/zinc/54/96/46/804549646.db2.gz JKFHBBFUZAKUJX-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCNC1 ZINC001246841208 804550497 /nfs/dbraw/zinc/55/04/97/804550497.db2.gz MZXIULVGMNISPO-ROUUACIJSA-N 1 3 274.452 3.329 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC001246841208 804550500 /nfs/dbraw/zinc/55/05/00/804550500.db2.gz MZXIULVGMNISPO-ROUUACIJSA-N 1 3 274.452 3.329 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246845223 804553667 /nfs/dbraw/zinc/55/36/67/804553667.db2.gz KUGZKWPWIRPYIA-YVSFHVDLSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246845223 804553670 /nfs/dbraw/zinc/55/36/70/804553670.db2.gz KUGZKWPWIRPYIA-YVSFHVDLSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1CCC[N@@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246845367 804553848 /nfs/dbraw/zinc/55/38/48/804553848.db2.gz FULWVFSPUHKNGV-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1CCC[N@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246845367 804553850 /nfs/dbraw/zinc/55/38/50/804553850.db2.gz FULWVFSPUHKNGV-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246869903 804570976 /nfs/dbraw/zinc/57/09/76/804570976.db2.gz XHBUVVHJWNJUBC-UNEWFSDZSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246869903 804570980 /nfs/dbraw/zinc/57/09/80/804570980.db2.gz XHBUVVHJWNJUBC-UNEWFSDZSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246869903 804570986 /nfs/dbraw/zinc/57/09/86/804570986.db2.gz XHBUVVHJWNJUBC-UNEWFSDZSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)CCN1 ZINC001246882890 804577866 /nfs/dbraw/zinc/57/78/66/804577866.db2.gz PDGHIFVQJFGODL-KBXCAEBGSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@H]1C[C@H](N2CCC(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246882890 804577870 /nfs/dbraw/zinc/57/78/70/804577870.db2.gz PDGHIFVQJFGODL-KBXCAEBGSA-N 1 3 290.426 3.221 20 0 CGADHO CCCCCC1CCC(N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001246881938 804578501 /nfs/dbraw/zinc/57/85/01/804578501.db2.gz OZVOAMLUMDOXFS-LMPOIIKSSA-N 1 3 252.446 3.405 20 0 CGADHO CCCCCC[C@@H](CCC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947225 804614074 /nfs/dbraw/zinc/61/40/74/804614074.db2.gz JTEZDLQQKHOAPH-WCVJEAGWSA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@@H+](C3CCNCC3)C2)cc1 ZINC001246980778 804627764 /nfs/dbraw/zinc/62/77/64/804627764.db2.gz SOCWVYMGZDLQIQ-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@H+](C3CCNCC3)C2)cc1 ZINC001246980778 804627766 /nfs/dbraw/zinc/62/77/66/804627766.db2.gz SOCWVYMGZDLQIQ-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257083119 807047288 /nfs/dbraw/zinc/04/72/88/807047288.db2.gz FSDAHQRCOAXFGY-XLMAVXFVSA-N 1 3 290.451 3.039 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257083119 807047296 /nfs/dbraw/zinc/04/72/96/807047296.db2.gz FSDAHQRCOAXFGY-XLMAVXFVSA-N 1 3 290.451 3.039 20 0 CGADHO c1ccc2c(c1)CC(NC1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167960262 807286776 /nfs/dbraw/zinc/28/67/76/807286776.db2.gz XEHKQNSINUKKRE-IHWFROFDSA-N 1 3 296.458 3.149 20 0 CGADHO c1ccc2c(c1)CC(NC1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960262 807286780 /nfs/dbraw/zinc/28/67/80/807286780.db2.gz XEHKQNSINUKKRE-IHWFROFDSA-N 1 3 296.458 3.149 20 0 CGADHO C[C@@H](Cc1ccco1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258176253 807342346 /nfs/dbraw/zinc/34/23/46/807342346.db2.gz NJXWKSSXFBMHSJ-LBPRGKRZSA-N 1 3 264.413 3.191 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293691 807401778 /nfs/dbraw/zinc/40/17/78/807401778.db2.gz POQLLBYAJDWLGH-OWCLPIDISA-N 1 3 264.457 3.229 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293691 807401781 /nfs/dbraw/zinc/40/17/81/807401781.db2.gz POQLLBYAJDWLGH-OWCLPIDISA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H](N)C1 ZINC001258303661 807404359 /nfs/dbraw/zinc/40/43/59/807404359.db2.gz VZEHVNFPZQTRGX-ZIAGYGMSSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H](N)C1 ZINC001258303661 807404363 /nfs/dbraw/zinc/40/43/63/807404363.db2.gz VZEHVNFPZQTRGX-ZIAGYGMSSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)N1CCC[C@H]1C[NH3+] ZINC001258303601 807404404 /nfs/dbraw/zinc/40/44/04/807404404.db2.gz VBEHKBWRDHUSQP-KGLIPLIRSA-N 1 3 296.480 3.493 20 0 CGADHO COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001258391424 807436770 /nfs/dbraw/zinc/43/67/70/807436770.db2.gz ZVZLVJVQPRJKHK-RDJZCZTQSA-N 1 3 290.451 3.090 20 0 CGADHO COc1ccc(CC[C@@H](C)[NH+]2CCC(N(C)C)CC2)cc1 ZINC001258398199 807440158 /nfs/dbraw/zinc/44/01/58/807440158.db2.gz QEQNVHPKYFWLOD-OAHLLOKOSA-N 1 3 290.451 3.042 20 0 CGADHO C[N@H+](C1CCOCC1)C1CCN([C@H]2CCC(C)(C)C2)CC1 ZINC001258606895 807504241 /nfs/dbraw/zinc/50/42/41/807504241.db2.gz DRLLWQILKCPETK-KRWDZBQOSA-N 1 3 294.483 3.140 20 0 CGADHO C[N@@H+](C1CCOCC1)C1CCN([C@H]2CCC(C)(C)C2)CC1 ZINC001258606895 807504245 /nfs/dbraw/zinc/50/42/45/807504245.db2.gz DRLLWQILKCPETK-KRWDZBQOSA-N 1 3 294.483 3.140 20 0 CGADHO Cc1cccc2c1[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169081289 807569452 /nfs/dbraw/zinc/56/94/52/807569452.db2.gz PUSWMLUQFRNZNW-QKPAOTATSA-N 1 3 286.419 3.033 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC001169091849 807570577 /nfs/dbraw/zinc/57/05/77/807570577.db2.gz WFKQHTBCHDSZGG-QKDCVEJESA-N 1 3 278.827 3.363 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169096174 807574208 /nfs/dbraw/zinc/57/42/08/807574208.db2.gz VMNZICGZCCPDDQ-BJWYYQGGSA-N 1 3 288.435 3.189 20 0 CGADHO CC(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169108326 807578566 /nfs/dbraw/zinc/57/85/66/807578566.db2.gz RCNMFISNEPBIQM-GYIHYUDTSA-N 1 3 286.419 3.165 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001169112890 807581232 /nfs/dbraw/zinc/58/12/32/807581232.db2.gz ULFVEIIEDFVACV-PHZGNYQRSA-N 1 3 274.383 3.030 20 0 CGADHO CCCN1CCC([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001258776030 807606945 /nfs/dbraw/zinc/60/69/45/807606945.db2.gz PVGOJNLAGGGCDZ-UHFFFAOYSA-N 1 3 282.447 3.465 20 0 CGADHO CCCN1CCC([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001258776030 807606946 /nfs/dbraw/zinc/60/69/46/807606946.db2.gz PVGOJNLAGGGCDZ-UHFFFAOYSA-N 1 3 282.447 3.465 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH+]1CCC(N)(CCOC)CC1 ZINC001258788018 807613300 /nfs/dbraw/zinc/61/33/00/807613300.db2.gz YFSVXEMQDVGLFN-GJZGRUSLSA-N 1 3 270.461 3.031 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C[C@H](C)CN)CCO1 ZINC001170183429 807788184 /nfs/dbraw/zinc/78/81/84/807788184.db2.gz SASPOBOGRIERST-KBAYOESNSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@H](C)CN)CCO1 ZINC001170183429 807788187 /nfs/dbraw/zinc/78/81/87/807788187.db2.gz SASPOBOGRIERST-KBAYOESNSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CCO1 ZINC001170183428 807788257 /nfs/dbraw/zinc/78/82/57/807788257.db2.gz SASPOBOGRIERST-CGTJXYLNSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)CN)CCO1 ZINC001170183428 807788259 /nfs/dbraw/zinc/78/82/59/807788259.db2.gz SASPOBOGRIERST-CGTJXYLNSA-N 1 3 290.451 3.041 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715951 807882955 /nfs/dbraw/zinc/88/29/55/807882955.db2.gz NETQRBAMXYJCQD-QKDCVEJESA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(N[C@H](N)CCC[NH3+])cc1-c1ccccc1 ZINC001170903848 807929451 /nfs/dbraw/zinc/92/94/51/807929451.db2.gz LSPLKHIQQIYVCP-KRWDZBQOSA-N 1 3 269.392 3.098 20 0 CGADHO CCC[N@H+](CCCN)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171011384 807959963 /nfs/dbraw/zinc/95/99/63/807959963.db2.gz DCUOLRVXIBEYTL-CQSZACIVSA-N 1 3 280.843 3.258 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171011384 807959971 /nfs/dbraw/zinc/95/99/71/807959971.db2.gz DCUOLRVXIBEYTL-CQSZACIVSA-N 1 3 280.843 3.258 20 0 CGADHO C[C@@H]1C[C@H](F)C[N@@H+]1C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171632098 808110075 /nfs/dbraw/zinc/11/00/75/808110075.db2.gz VBAVARIDELLLFJ-NEPJUHHUSA-N 1 3 256.409 3.070 20 0 CGADHO C[C@@H]1C[C@H](F)C[N@H+]1C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171632098 808110081 /nfs/dbraw/zinc/11/00/81/808110081.db2.gz VBAVARIDELLLFJ-NEPJUHHUSA-N 1 3 256.409 3.070 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098674 808169929 /nfs/dbraw/zinc/16/99/29/808169929.db2.gz GMOQZPJBHOAGRT-BYNSBNAKSA-N 1 3 298.434 3.244 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098674 808169931 /nfs/dbraw/zinc/16/99/31/808169931.db2.gz GMOQZPJBHOAGRT-BYNSBNAKSA-N 1 3 298.434 3.244 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC001172100258 808172240 /nfs/dbraw/zinc/17/22/40/808172240.db2.gz CJYUDTXFVAXJMX-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC001172100258 808172242 /nfs/dbraw/zinc/17/22/42/808172242.db2.gz CJYUDTXFVAXJMX-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc3c(c1)CCC3)C2 ZINC001172099597 808172784 /nfs/dbraw/zinc/17/27/84/808172784.db2.gz LJCQFMBYNASDSQ-REPLKXPHSA-N 1 3 284.447 3.280 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc3c(c1)CCC3)C2 ZINC001172099597 808172786 /nfs/dbraw/zinc/17/27/86/808172786.db2.gz LJCQFMBYNASDSQ-REPLKXPHSA-N 1 3 284.447 3.280 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC001172106901 808177293 /nfs/dbraw/zinc/17/72/93/808177293.db2.gz QTRKXCLGKPIQEY-YHUYYLMFSA-N 1 3 273.424 3.056 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001172116579 808181504 /nfs/dbraw/zinc/18/15/04/808181504.db2.gz BKYZEOFQLCXMIG-DMRKSPOLSA-N 1 3 262.441 3.124 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001172116579 808181507 /nfs/dbraw/zinc/18/15/07/808181507.db2.gz BKYZEOFQLCXMIG-DMRKSPOLSA-N 1 3 262.441 3.124 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122333 808183331 /nfs/dbraw/zinc/18/33/31/808183331.db2.gz PEKTYXJPJGCNRD-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122333 808183333 /nfs/dbraw/zinc/18/33/33/808183333.db2.gz PEKTYXJPJGCNRD-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccncc3)CC2)C[C@H]1C ZINC001172369310 808264716 /nfs/dbraw/zinc/26/47/16/808264716.db2.gz ZWXQUKDIPZLXKI-BFYDXBDKSA-N 1 3 273.424 3.028 20 0 CGADHO C[NH+](C)C1CCN([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172556474 808384397 /nfs/dbraw/zinc/38/43/97/808384397.db2.gz ISSHWJUYKXNDQJ-SJLPKXTDSA-N 1 3 272.436 3.349 20 0 CGADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564636 808391593 /nfs/dbraw/zinc/39/15/93/808391593.db2.gz XKTDOIASEUBDKF-YRXWBPOGSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564636 808391603 /nfs/dbraw/zinc/39/16/03/808391603.db2.gz XKTDOIASEUBDKF-YRXWBPOGSA-N 1 3 284.447 3.206 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172651440 808409433 /nfs/dbraw/zinc/40/94/33/808409433.db2.gz BVSSHUQRFZCLBZ-ZFWWWQNUSA-N 1 3 282.472 3.185 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@@H]1CCCN1C ZINC001172842556 808457943 /nfs/dbraw/zinc/45/79/43/808457943.db2.gz RGBRTBDKUPTHCA-STQMWFEESA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NCC[C@@H]1CCC[N@@H+]1C ZINC001172842556 808457947 /nfs/dbraw/zinc/45/79/47/808457947.db2.gz RGBRTBDKUPTHCA-STQMWFEESA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NCC[C@@H]1CCC[N@H+]1C ZINC001172842556 808457951 /nfs/dbraw/zinc/45/79/51/808457951.db2.gz RGBRTBDKUPTHCA-STQMWFEESA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NCCC[NH+](C)C ZINC001172872135 808471942 /nfs/dbraw/zinc/47/19/42/808471942.db2.gz STPBXEPIKJOULV-GFCCVEGCSA-N 1 3 286.872 3.362 20 0 CGADHO CO[C@@H]1CCC[C@@H](N[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001172915331 808477354 /nfs/dbraw/zinc/47/73/54/808477354.db2.gz CHAWQTYCTJFULY-KZNAEPCWSA-N 1 3 290.451 3.227 20 0 CGADHO Cc1nc2ccc(Nc3c[nH+]ccc3N(C)C)cc2[nH]1 ZINC001213070407 815220285 /nfs/dbraw/zinc/22/02/85/815220285.db2.gz ORCWKSZULBYVLT-UHFFFAOYSA-N 1 3 267.336 3.076 20 0 CGADHO CCSC[C@@H](C)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001173304203 808602202 /nfs/dbraw/zinc/60/22/02/808602202.db2.gz GBIGFKPMWGTHPX-HZPDHXFCSA-N 1 3 284.513 3.468 20 0 CGADHO CCSC[C@@H](C)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001173304203 808602203 /nfs/dbraw/zinc/60/22/03/808602203.db2.gz GBIGFKPMWGTHPX-HZPDHXFCSA-N 1 3 284.513 3.468 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001275784842 808965846 /nfs/dbraw/zinc/96/58/46/808965846.db2.gz DITYMNDPSRMPOO-BETUJISGSA-N 1 3 284.856 3.175 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001275784842 808965851 /nfs/dbraw/zinc/96/58/51/808965851.db2.gz DITYMNDPSRMPOO-BETUJISGSA-N 1 3 284.856 3.175 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1nccc3ccccc31)C2 ZINC001276611115 809020346 /nfs/dbraw/zinc/02/03/46/809020346.db2.gz YJCSBNZSYSEUJS-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1nccc3ccccc31)C2 ZINC001276611115 809020354 /nfs/dbraw/zinc/02/03/54/809020354.db2.gz YJCSBNZSYSEUJS-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC001177199792 809787095 /nfs/dbraw/zinc/78/70/95/809787095.db2.gz NGYYYKLFGHLZHV-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO CN(CCC[NH+](C)C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001181554946 810058926 /nfs/dbraw/zinc/05/89/26/810058926.db2.gz HVKDBDZXJVRWFK-IAGOWNOFSA-N 1 3 260.425 3.064 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC12CCC(CC1)C2 ZINC001197929127 811465221 /nfs/dbraw/zinc/46/52/21/811465221.db2.gz CXQNPUMMOHKTBC-HJOIGYKYSA-N 1 3 285.435 3.172 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC12CCC(CC1)C2 ZINC001197929127 811465226 /nfs/dbraw/zinc/46/52/26/811465226.db2.gz CXQNPUMMOHKTBC-HJOIGYKYSA-N 1 3 285.435 3.172 20 0 CGADHO CC(C)(C)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201440301 811848769 /nfs/dbraw/zinc/84/87/69/811848769.db2.gz HMZXSGZNBOTSEX-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201440301 811848776 /nfs/dbraw/zinc/84/87/76/811848776.db2.gz HMZXSGZNBOTSEX-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO Cc1ccc(C[NH2+]CC2(CN(C)C)CCCC2)cc1F ZINC001201929756 811976577 /nfs/dbraw/zinc/97/65/77/811976577.db2.gz RJUJEXBSTJQYNI-UHFFFAOYSA-N 1 3 278.415 3.346 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001202762925 812169369 /nfs/dbraw/zinc/16/93/69/812169369.db2.gz UFUAXULCDDTAMP-JKSUJKDBSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001202762925 812169372 /nfs/dbraw/zinc/16/93/72/812169372.db2.gz UFUAXULCDDTAMP-JKSUJKDBSA-N 1 3 250.430 3.125 20 0 CGADHO CCN(CC)CC[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC001204072131 812540423 /nfs/dbraw/zinc/54/04/23/812540423.db2.gz OHJAFBVHMBALFW-SFHVURJKSA-N 1 3 290.451 3.228 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cn(C)c3ccccc23)CC1 ZINC001204321723 812613044 /nfs/dbraw/zinc/61/30/44/812613044.db2.gz SCQLJGZXZQTWFV-UHFFFAOYSA-N 1 3 285.435 3.094 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399759 812629285 /nfs/dbraw/zinc/62/92/85/812629285.db2.gz WBADFRRLTVDYRJ-CALCHBBNSA-N 1 3 286.463 3.368 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399759 812629288 /nfs/dbraw/zinc/62/92/88/812629288.db2.gz WBADFRRLTVDYRJ-CALCHBBNSA-N 1 3 286.463 3.368 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001204399761 812629655 /nfs/dbraw/zinc/62/96/55/812629655.db2.gz WBADFRRLTVDYRJ-IRXDYDNUSA-N 1 3 286.463 3.368 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205058613 812840623 /nfs/dbraw/zinc/84/06/23/812840623.db2.gz OZLALYWXKDFNCD-RUAUBTSSSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001205058610 812841371 /nfs/dbraw/zinc/84/13/71/812841371.db2.gz OZLALYWXKDFNCD-DLKVLKDVSA-N 1 3 278.827 3.255 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117692 812875389 /nfs/dbraw/zinc/87/53/89/812875389.db2.gz RXMMFTPJCBSRRY-QGZVFWFLSA-N 1 3 260.425 3.198 20 0 CGADHO Cc1cnc(-c2ccccc2)c(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205123971 812877524 /nfs/dbraw/zinc/87/75/24/812877524.db2.gz HZWCBRCAFUGVQU-GOSISDBHSA-N 1 3 295.430 3.370 20 0 CGADHO Cc1ccc2c(c1)CN(Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001205164578 812895851 /nfs/dbraw/zinc/89/58/51/812895851.db2.gz INBMDFKNDQYHMP-UHFFFAOYSA-N 1 3 298.455 3.261 20 0 CGADHO Cc1cc(CN2CCC[C@@](C)([NH3+])CC2)c(C)s1 ZINC001205265725 812922252 /nfs/dbraw/zinc/92/22/52/812922252.db2.gz QXAAQIXESQOADJ-CQSZACIVSA-N 1 3 252.427 3.068 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001205266987 812923228 /nfs/dbraw/zinc/92/32/28/812923228.db2.gz ZJIQSYQRLJXWTE-INIZCTEOSA-N 1 3 275.371 3.010 20 0 CGADHO Cn1cc[nH+]c1Nc1ccc(CN2CCCCC2)c(F)c1 ZINC001215710332 815564278 /nfs/dbraw/zinc/56/42/78/815564278.db2.gz SZRMDCWFZXSYCX-UHFFFAOYSA-N 1 3 288.370 3.289 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318316 812951235 /nfs/dbraw/zinc/95/12/35/812951235.db2.gz UCRPQKZHMSQGPV-DOTOQJQBSA-N 1 3 290.451 3.199 20 0 CGADHO CC[NH+](CC)Cc1ccc(F)c(Nc2cnc(C)n2C)c1 ZINC001215725696 815566880 /nfs/dbraw/zinc/56/68/80/815566880.db2.gz HHOOFZIXVJNHLV-UHFFFAOYSA-N 1 3 290.386 3.453 20 0 CGADHO COc1cccc(Cl)c1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205628808 813034952 /nfs/dbraw/zinc/03/49/52/813034952.db2.gz XBDKEPFMKVRHMZ-OLZOCXBDSA-N 1 3 296.842 3.155 20 0 CGADHO CCN(CCC[NH+](C)C)CCc1cc(C)cc(C)c1 ZINC001205692919 813054149 /nfs/dbraw/zinc/05/41/49/813054149.db2.gz OGJMYCCEIFIBPY-UHFFFAOYSA-N 1 3 262.441 3.120 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1CCCc1ccccc1Cl ZINC001205901274 813123396 /nfs/dbraw/zinc/12/33/96/813123396.db2.gz CDXQPYBGTDVVRK-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001205904153 813126315 /nfs/dbraw/zinc/12/63/15/813126315.db2.gz SKWTWFZLTMLOOT-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904153 813126319 /nfs/dbraw/zinc/12/63/19/813126319.db2.gz SKWTWFZLTMLOOT-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1CCCc1cccc(Cl)c1 ZINC001205904153 813126322 /nfs/dbraw/zinc/12/63/22/813126322.db2.gz SKWTWFZLTMLOOT-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@H](N)C3)ccc2c1 ZINC001205931820 813139267 /nfs/dbraw/zinc/13/92/67/813139267.db2.gz LPLXEWDEWOEBMT-SFHVURJKSA-N 1 3 297.446 3.219 20 0 CGADHO CN(C)c1ccc2cc(C[N@H+]3CCCC[C@H](N)C3)ccc2c1 ZINC001205931820 813139268 /nfs/dbraw/zinc/13/92/68/813139268.db2.gz LPLXEWDEWOEBMT-SFHVURJKSA-N 1 3 297.446 3.219 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001206550117 813348796 /nfs/dbraw/zinc/34/87/96/813348796.db2.gz VKNZOKPZULQKJR-KRWDZBQOSA-N 1 3 289.398 3.258 20 0 CGADHO CC(C)N(CCc1c(F)cccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582775 813362942 /nfs/dbraw/zinc/36/29/42/813362942.db2.gz PPUYVXPPSRPPGM-AWEZNQCLSA-N 1 3 296.405 3.360 20 0 CGADHO CC(C)[N@H+](C[C@@H]1CC=CCC1)[C@@H]1CCCNCC1 ZINC001206583738 813364753 /nfs/dbraw/zinc/36/47/53/813364753.db2.gz VYHBNIJTUIHCAN-HZPDHXFCSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)[N@@H+](C[C@@H]1CC=CCC1)[C@@H]1CCCNCC1 ZINC001206583738 813364759 /nfs/dbraw/zinc/36/47/59/813364759.db2.gz VYHBNIJTUIHCAN-HZPDHXFCSA-N 1 3 250.430 3.195 20 0 CGADHO COc1ccc(C)c(CN(C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206599910 813370144 /nfs/dbraw/zinc/37/01/44/813370144.db2.gz YXRFVWZAMPQWCI-KRWDZBQOSA-N 1 3 290.451 3.356 20 0 CGADHO CC(C)COc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206615474 813375806 /nfs/dbraw/zinc/37/58/06/813375806.db2.gz DWAMSIDBFHBXSV-KRWDZBQOSA-N 1 3 290.451 3.282 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@H](CN)CC[C@H]2C)C1(C)C ZINC001206760733 813425664 /nfs/dbraw/zinc/42/56/64/813425664.db2.gz KURIEGGGKLXBKW-OWCLPIDISA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@H](CN)CC[C@H]2C)C1(C)C ZINC001206760733 813425668 /nfs/dbraw/zinc/42/56/68/813425668.db2.gz KURIEGGGKLXBKW-OWCLPIDISA-N 1 3 264.457 3.428 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2CC(C)(C)CN(C)C)cn1 ZINC001207282816 813534368 /nfs/dbraw/zinc/53/43/68/813534368.db2.gz PWIDLTFKHOZICB-MRXNPFEDSA-N 1 3 275.440 3.115 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2CC(C)(C)CN(C)C)cn1 ZINC001207282816 813534371 /nfs/dbraw/zinc/53/43/71/813534371.db2.gz PWIDLTFKHOZICB-MRXNPFEDSA-N 1 3 275.440 3.115 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001207755378 813645977 /nfs/dbraw/zinc/64/59/77/813645977.db2.gz KYEJSPDDPWWBOD-IRXDYDNUSA-N 1 3 296.524 3.468 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207755378 813645983 /nfs/dbraw/zinc/64/59/83/813645983.db2.gz KYEJSPDDPWWBOD-IRXDYDNUSA-N 1 3 296.524 3.468 20 0 CGADHO CCC[N@H+]1C[C@H]2CN(CCCC3CCCC3)C[C@H]2C1 ZINC001208095026 813693612 /nfs/dbraw/zinc/69/36/12/813693612.db2.gz UNKOTSVHJGNPAF-CALCHBBNSA-N 1 3 264.457 3.230 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN(CCCC3CCCC3)C[C@H]2C1 ZINC001208095026 813693616 /nfs/dbraw/zinc/69/36/16/813693616.db2.gz UNKOTSVHJGNPAF-CALCHBBNSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001208095026 813693618 /nfs/dbraw/zinc/69/36/18/813693618.db2.gz UNKOTSVHJGNPAF-CALCHBBNSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001208095026 813693623 /nfs/dbraw/zinc/69/36/23/813693623.db2.gz UNKOTSVHJGNPAF-CALCHBBNSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612647 813772611 /nfs/dbraw/zinc/77/26/11/813772611.db2.gz MYYNSJZJPMKPRG-HOCLYGCPSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612647 813772616 /nfs/dbraw/zinc/77/26/16/813772616.db2.gz MYYNSJZJPMKPRG-HOCLYGCPSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CCC(c3ccccc3F)CC2)C1 ZINC001208607837 813774505 /nfs/dbraw/zinc/77/45/05/813774505.db2.gz NQNHJMFQSJQJGD-OAHLLOKOSA-N 1 3 290.426 3.347 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CCC(c3ccccc3F)CC2)C1 ZINC001208607837 813774510 /nfs/dbraw/zinc/77/45/10/813774510.db2.gz NQNHJMFQSJQJGD-OAHLLOKOSA-N 1 3 290.426 3.347 20 0 CGADHO C[N@H+](Cc1ccccc1)C1CCN(CCC2CC2)CC1 ZINC001208683853 813795231 /nfs/dbraw/zinc/79/52/31/813795231.db2.gz ORELYGVUTOXTRY-UHFFFAOYSA-N 1 3 272.436 3.383 20 0 CGADHO C[N@@H+](Cc1ccccc1)C1CCN(CCC2CC2)CC1 ZINC001208683853 813795233 /nfs/dbraw/zinc/79/52/33/813795233.db2.gz ORELYGVUTOXTRY-UHFFFAOYSA-N 1 3 272.436 3.383 20 0 CGADHO c1ccc(CN2CC[C@H](C[N@@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952399 813910437 /nfs/dbraw/zinc/91/04/37/813910437.db2.gz JJQGOHDQSDZUSU-XBMUEBEBSA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CC[C@H](C[N@H+]3CC4CCC3CC4)C2)cc1 ZINC001208952399 813910444 /nfs/dbraw/zinc/91/04/44/813910444.db2.gz JJQGOHDQSDZUSU-XBMUEBEBSA-N 1 3 284.447 3.383 20 0 CGADHO FC1CC2(C1)CCC[N@H+](CCCN1CCCCC1)CC2 ZINC001209451386 814047460 /nfs/dbraw/zinc/04/74/60/814047460.db2.gz XDMWNVYLLOBBRM-UHFFFAOYSA-N 1 3 282.447 3.467 20 0 CGADHO FC1CC2(C1)CCC[N@@H+](CCCN1CCCCC1)CC2 ZINC001209451386 814047466 /nfs/dbraw/zinc/04/74/66/814047466.db2.gz XDMWNVYLLOBBRM-UHFFFAOYSA-N 1 3 282.447 3.467 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141184 816357204 /nfs/dbraw/zinc/35/72/04/816357204.db2.gz HQHLEPPEWGNXPC-LJQANCHMSA-N 1 3 286.463 3.428 20 0 CGADHO Nc1ccccc1CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173550 816369367 /nfs/dbraw/zinc/36/93/67/816369367.db2.gz UXCRETREXMRFFQ-SFHVURJKSA-N 1 3 287.451 3.015 20 0 CGADHO c1ccc(CCCC[N@@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001222232920 816379972 /nfs/dbraw/zinc/37/99/72/816379972.db2.gz ZBEMINYAQYXEBE-GOSISDBHSA-N 1 3 272.436 3.227 20 0 CGADHO c1ccc(CCCC[N@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001222232920 816379978 /nfs/dbraw/zinc/37/99/78/816379978.db2.gz ZBEMINYAQYXEBE-GOSISDBHSA-N 1 3 272.436 3.227 20 0 CGADHO CC1(C[N@@H+]2CCC[C@]23CCCNC3)CCCCC1 ZINC001222231400 816380576 /nfs/dbraw/zinc/38/05/76/816380576.db2.gz LTVYWMGBGATCAP-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO CC1(C[N@H+]2CCC[C@]23CCCNC3)CCCCC1 ZINC001222231400 816380583 /nfs/dbraw/zinc/38/05/83/816380583.db2.gz LTVYWMGBGATCAP-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO CC1(CN2CCC[C@]23CCC[NH2+]C3)CCCCC1 ZINC001222231400 816380591 /nfs/dbraw/zinc/38/05/91/816380591.db2.gz LTVYWMGBGATCAP-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222619935 816478935 /nfs/dbraw/zinc/47/89/35/816478935.db2.gz BPJHXUQCNHFVRG-MAUKXSAKSA-N 1 3 266.388 3.024 20 0 CGADHO c1ccc2c(c1)cccc2C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222619935 816478940 /nfs/dbraw/zinc/47/89/40/816478940.db2.gz BPJHXUQCNHFVRG-MAUKXSAKSA-N 1 3 266.388 3.024 20 0 CGADHO c1ccc(CCCCC[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615155 816479196 /nfs/dbraw/zinc/47/91/96/816479196.db2.gz LZOGTOHPRKCKRI-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CCCCC[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615155 816479199 /nfs/dbraw/zinc/47/91/99/816479199.db2.gz LZOGTOHPRKCKRI-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO C[NH2+]Cc1ccc(-c2ccc3c(N)ccnc3c2)cc1 ZINC001242994450 823202814 /nfs/dbraw/zinc/20/28/14/823202814.db2.gz XZWZAVIGCAOSOW-UHFFFAOYSA-N 1 3 263.344 3.203 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@H](CF)C2)c1 ZINC001232146036 818263370 /nfs/dbraw/zinc/26/33/70/818263370.db2.gz GVNAWLRLERVFTL-ZDUSSCGKSA-N 1 3 282.378 3.069 20 0 CGADHO c1ccc(C2(CN3CCC[C@@]4(CCC[NH2+]4)CC3)CC2)cc1 ZINC001235037015 818986251 /nfs/dbraw/zinc/98/62/51/818986251.db2.gz BCDZFPPRAZCMIJ-IBGZPJMESA-N 1 3 284.447 3.326 20 0 CGADHO Cc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235231453 819041531 /nfs/dbraw/zinc/04/15/31/819041531.db2.gz YQMVJQMCDBYQRA-SFHVURJKSA-N 1 3 290.426 3.488 20 0 CGADHO F[C@@H]1CC[NH2+]C[C@]12CCN(Cc1cccc3ccccc31)C2 ZINC001235400429 819084473 /nfs/dbraw/zinc/08/44/73/819084473.db2.gz CXOVVLLSYMHSOZ-MOPGFXCFSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@H+](Cc1cccc3ccccc31)C2 ZINC001235400429 819084476 /nfs/dbraw/zinc/08/44/76/819084476.db2.gz CXOVVLLSYMHSOZ-MOPGFXCFSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400429 819084479 /nfs/dbraw/zinc/08/44/79/819084479.db2.gz CXOVVLLSYMHSOZ-MOPGFXCFSA-N 1 3 298.405 3.363 20 0 CGADHO CCOc1ccc(CN(C)CC2CC[NH2+]CC2)c(Cl)c1 ZINC001235431725 819096817 /nfs/dbraw/zinc/09/68/17/819096817.db2.gz BKEIUBFPZBGYPF-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001235661909 819132426 /nfs/dbraw/zinc/13/24/26/819132426.db2.gz RBBHXHUKQSMNQW-GFCCVEGCSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@@H]1CCCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001235661909 819132430 /nfs/dbraw/zinc/13/24/30/819132430.db2.gz RBBHXHUKQSMNQW-GFCCVEGCSA-N 1 3 264.438 3.158 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@H](CN)C1 ZINC001235674297 819135487 /nfs/dbraw/zinc/13/54/87/819135487.db2.gz REDIOLJZXBLNCP-JKSUJKDBSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@H](CN)C1 ZINC001235674297 819135490 /nfs/dbraw/zinc/13/54/90/819135490.db2.gz REDIOLJZXBLNCP-JKSUJKDBSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@@H](C)CCN(C)C[C@@H]1CC[NH2+]C1 ZINC001235841405 819183832 /nfs/dbraw/zinc/18/38/32/819183832.db2.gz FIJZAZJSZYUHEK-HZPDHXFCSA-N 1 3 252.446 3.300 20 0 CGADHO Cc1c(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc(F)c1F ZINC001235889232 819197891 /nfs/dbraw/zinc/19/78/91/819197891.db2.gz ZLIPRTWQLPCGGO-MRXNPFEDSA-N 1 3 294.389 3.237 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1Cc1cccc2[nH]cc(Cl)c21 ZINC001235925175 819222932 /nfs/dbraw/zinc/22/29/32/819222932.db2.gz KNGBQZVDMOENON-LBPRGKRZSA-N 1 3 277.799 3.135 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235925250 819224110 /nfs/dbraw/zinc/22/41/10/819224110.db2.gz MZAQMFNHMAGXRH-BPUTZDHNSA-N 1 3 278.827 3.257 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235925250 819224113 /nfs/dbraw/zinc/22/41/13/819224113.db2.gz MZAQMFNHMAGXRH-BPUTZDHNSA-N 1 3 278.827 3.257 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@H]1CC[NH3+] ZINC001235926249 819226443 /nfs/dbraw/zinc/22/64/43/819226443.db2.gz VFTVZIZWMXXJIO-INIZCTEOSA-N 1 3 276.424 3.095 20 0 CGADHO c1csc(-c2ccc(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)c1 ZINC001235935450 819232638 /nfs/dbraw/zinc/23/26/38/819232638.db2.gz DQDSDGWRJWOCSO-IRXDYDNUSA-N 1 3 298.455 3.456 20 0 CGADHO N[C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981907 819258527 /nfs/dbraw/zinc/25/85/27/819258527.db2.gz SOVYZAMXIPDGGT-MOPGFXCFSA-N 1 3 278.399 3.277 20 0 CGADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981907 819258533 /nfs/dbraw/zinc/25/85/33/819258533.db2.gz SOVYZAMXIPDGGT-MOPGFXCFSA-N 1 3 278.399 3.277 20 0 CGADHO CC(C)=CCC[C@H](C)CCN1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981853 819259317 /nfs/dbraw/zinc/25/93/17/819259317.db2.gz XUXDRFZTTIGSIU-ARFHVFGLSA-N 1 3 250.430 3.182 20 0 CGADHO CC1(C)CN(Cc2ccc(C[NH3+])cc2)Cc2ccccc21 ZINC001236085335 819306927 /nfs/dbraw/zinc/30/69/27/819306927.db2.gz NOANPCCLPADGJO-UHFFFAOYSA-N 1 3 280.415 3.439 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1CCCN[C@@H](C)C1 ZINC001236094301 819312004 /nfs/dbraw/zinc/31/20/04/819312004.db2.gz ALQNCNRPMYGFEL-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1CCCN[C@@H](C)C1 ZINC001236094301 819312005 /nfs/dbraw/zinc/31/20/05/819312005.db2.gz ALQNCNRPMYGFEL-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO CC[C@@H](N)C[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236194243 819363863 /nfs/dbraw/zinc/36/38/63/819363863.db2.gz UVKFYQJHNRNJEL-WBMJQRKESA-N 1 3 257.381 3.042 20 0 CGADHO CC[C@@H](N)C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236194243 819363869 /nfs/dbraw/zinc/36/38/69/819363869.db2.gz UVKFYQJHNRNJEL-WBMJQRKESA-N 1 3 257.381 3.042 20 0 CGADHO C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1N ZINC001236213215 819375647 /nfs/dbraw/zinc/37/56/47/819375647.db2.gz AMKRQCKUOCFITC-QZTJIDSGSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@H]1N ZINC001236213215 819375652 /nfs/dbraw/zinc/37/56/52/819375652.db2.gz AMKRQCKUOCFITC-QZTJIDSGSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@H]1N ZINC001236215396 819379009 /nfs/dbraw/zinc/37/90/09/819379009.db2.gz HTRUKEUTEWOYTD-AEFFLSMTSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccccc1-n1cccc1)[C@H]1CCCC[C@H]1N ZINC001236215396 819379016 /nfs/dbraw/zinc/37/90/16/819379016.db2.gz HTRUKEUTEWOYTD-AEFFLSMTSA-N 1 3 283.419 3.179 20 0 CGADHO Nc1ccnc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001236235344 819397231 /nfs/dbraw/zinc/39/72/31/819397231.db2.gz ZNGOSZKHFFDQMB-UHFFFAOYSA-N 1 3 285.366 3.456 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1CCC[C@@H]1C[NH3+] ZINC001236245730 819403206 /nfs/dbraw/zinc/40/32/06/819403206.db2.gz VDBSZKBMVDOQKT-LSDHHAIUSA-N 1 3 270.461 3.031 20 0 CGADHO C(C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)C1CC1 ZINC001236373165 819441496 /nfs/dbraw/zinc/44/14/96/819441496.db2.gz UKLVLNQBNPMMLM-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C(C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)C1CC1 ZINC001236373165 819441501 /nfs/dbraw/zinc/44/15/01/819441501.db2.gz UKLVLNQBNPMMLM-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C(C[N@H+](C[C@H]1CCCNC1)C1CCCC1)C1CC1 ZINC001236373164 819441621 /nfs/dbraw/zinc/44/16/21/819441621.db2.gz UKLVLNQBNPMMLM-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO C(C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)C1CC1 ZINC001236373164 819441628 /nfs/dbraw/zinc/44/16/28/819441628.db2.gz UKLVLNQBNPMMLM-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@]1(C[NH3+])CCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001236616918 819553364 /nfs/dbraw/zinc/55/33/64/819553364.db2.gz SIHLNAVQGRGGGH-FQEVSTJZSA-N 1 3 294.442 3.448 20 0 CGADHO CCCN(Cc1coc2ccc(F)cc12)C[C@H]1CC[NH2+]C1 ZINC001236833429 819612878 /nfs/dbraw/zinc/61/28/78/819612878.db2.gz BDNBWOMVKWSMFN-ZDUSSCGKSA-N 1 3 290.382 3.393 20 0 CGADHO CCCN(Cc1cccc(OC(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236834166 819613744 /nfs/dbraw/zinc/61/37/44/819613744.db2.gz DZYDYZOCUPFDED-AWEZNQCLSA-N 1 3 298.377 3.110 20 0 CGADHO CCCN(Cc1cccc2c1CCCC2)C[C@H]1CC[NH2+]C1 ZINC001236843213 819618816 /nfs/dbraw/zinc/61/88/16/819618816.db2.gz LSDILOFQDHLJAN-INIZCTEOSA-N 1 3 286.463 3.387 20 0 CGADHO Clc1ccc(CCCN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384368 819739464 /nfs/dbraw/zinc/73/94/64/819739464.db2.gz VVJWPQFCXFGDJL-DOTOQJQBSA-N 1 3 292.854 3.347 20 0 CGADHO CCN(CC)Cc1cc(C2=CCC[NH2+]CC2)ccc1F ZINC001238951726 820165988 /nfs/dbraw/zinc/16/59/88/820165988.db2.gz YAQMFAJQVQPIFN-UHFFFAOYSA-N 1 3 276.399 3.434 20 0 CGADHO Fc1ccc(C2=CCC[NH2+]CC2)cc1CN1CCCC1 ZINC001238951045 820166065 /nfs/dbraw/zinc/16/60/65/820166065.db2.gz SBHHJAAXLSAJQC-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO CC(C)C1=NCCc2ccc(C=C3CC[NH2+]CC3)cc21 ZINC001240878341 821387432 /nfs/dbraw/zinc/38/74/32/821387432.db2.gz ZXRXEJVFDOWEOC-UHFFFAOYSA-N 1 3 268.404 3.455 20 0 CGADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(C2=CCCN(C)C2)nc1 ZINC001241569354 821953533 /nfs/dbraw/zinc/95/35/33/821953533.db2.gz VRTKBGKRXSRRPR-GOSISDBHSA-N 1 3 285.435 3.347 20 0 CGADHO CC[N@H+]1CCCC[C@@H]1c1ccc(C2=CCCN(C)C2)nc1 ZINC001241569354 821953539 /nfs/dbraw/zinc/95/35/39/821953539.db2.gz VRTKBGKRXSRRPR-GOSISDBHSA-N 1 3 285.435 3.347 20 0 CGADHO C[NH2+]C[C@H](C)NCC1CCC(c2ccccc2)CC1 ZINC001347207768 936874035 /nfs/dbraw/zinc/87/40/35/936874035.db2.gz QVXYMUXAMUIPAC-UQPPLGOBSA-N 1 3 260.425 3.158 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001308555031 928531060 /nfs/dbraw/zinc/53/10/60/928531060.db2.gz UHRNGXROPWNZQP-BPKGMFCQSA-N 1 3 264.457 3.133 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cccc2c1NCCC2 ZINC001308968961 928554683 /nfs/dbraw/zinc/55/46/83/928554683.db2.gz LFMRVSCMKKASMV-UHFFFAOYSA-N 1 3 289.467 3.064 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cccc2c1NCCC2 ZINC001308968961 928554694 /nfs/dbraw/zinc/55/46/94/928554694.db2.gz LFMRVSCMKKASMV-UHFFFAOYSA-N 1 3 289.467 3.064 20 0 CGADHO Cc1cccc([C@@H](C)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC001460559570 937534386 /nfs/dbraw/zinc/53/43/86/937534386.db2.gz JOQGZIOJCZYZBY-NXHRZFHOSA-N 1 3 272.436 3.330 20 0 CGADHO Cc1cccc([C@@H](C)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1 ZINC001460559570 937534388 /nfs/dbraw/zinc/53/43/88/937534388.db2.gz JOQGZIOJCZYZBY-NXHRZFHOSA-N 1 3 272.436 3.330 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001460800754 937546061 /nfs/dbraw/zinc/54/60/61/937546061.db2.gz KDABKVJVFVAPBX-HOTGVXAUSA-N 1 3 275.440 3.274 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001460800754 937546064 /nfs/dbraw/zinc/54/60/64/937546064.db2.gz KDABKVJVFVAPBX-HOTGVXAUSA-N 1 3 275.440 3.274 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001461034923 937560626 /nfs/dbraw/zinc/56/06/26/937560626.db2.gz IAWOBAVRBFNNDV-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H](C[NH2+]C1CCc2ccccc2CC1)CN1CCCC1 ZINC001461064970 937562012 /nfs/dbraw/zinc/56/20/12/937562012.db2.gz SXMPUWQKGDAHAF-INIZCTEOSA-N 1 3 286.463 3.256 20 0 CGADHO Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCN(C)C2)c1 ZINC001461181839 937568205 /nfs/dbraw/zinc/56/82/05/937568205.db2.gz NGTWFBWJSGXZCG-ZDUSSCGKSA-N 1 3 298.377 3.028 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC001461365876 937578120 /nfs/dbraw/zinc/57/81/20/937578120.db2.gz SYNPVZRYBQXDSG-OAGGEKHMSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)CN1CCCC1 ZINC001461469882 937582241 /nfs/dbraw/zinc/58/22/41/937582241.db2.gz CWTCVKLZRWASBY-ZSHCYNCHSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cc(C)c(/C=C/CNC[C@H]2CCC[N@H+]2C)c(C)c1 ZINC001461636603 937590105 /nfs/dbraw/zinc/59/01/05/937590105.db2.gz HAASMHIRHRPGRR-ZGRWHYIRSA-N 1 3 272.436 3.309 20 0 CGADHO Cc1cc(C)c(/C=C/CNC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001461636603 937590107 /nfs/dbraw/zinc/59/01/07/937590107.db2.gz HAASMHIRHRPGRR-ZGRWHYIRSA-N 1 3 272.436 3.309 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308983458 933221708 /nfs/dbraw/zinc/22/17/08/933221708.db2.gz DSHRVTSUNMJJTN-AALSBFMBSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]CCc1ccc(F)cc1 ZINC001320752887 934098516 /nfs/dbraw/zinc/09/85/16/934098516.db2.gz FJXAGMLYBJFTCO-OAHLLOKOSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCNCCc1ccc(F)cc1 ZINC001320752887 934098528 /nfs/dbraw/zinc/09/85/28/934098528.db2.gz FJXAGMLYBJFTCO-OAHLLOKOSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCNCCc1ccc(F)cc1 ZINC001320752887 934098540 /nfs/dbraw/zinc/09/85/40/934098540.db2.gz FJXAGMLYBJFTCO-OAHLLOKOSA-N 1 3 278.415 3.222 20 0 CGADHO C[C@@H]1CCC[C@@H](CCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001473278831 937799936 /nfs/dbraw/zinc/79/99/36/937799936.db2.gz NBGCPUFRVYNYTI-SJORKVTESA-N 1 3 287.451 3.420 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](CSc1ccccc1)C(C)C ZINC001326473005 934982352 /nfs/dbraw/zinc/98/23/52/934982352.db2.gz GQHXYTMSEHMCMA-GDBMZVCRSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@@H](COc1ccccc1F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331516911 935387258 /nfs/dbraw/zinc/38/72/58/935387258.db2.gz AUVCFMDNZVLXBX-KBPBESRZSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@@H](COc1ccccc1F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516911 935387262 /nfs/dbraw/zinc/38/72/62/935387262.db2.gz AUVCFMDNZVLXBX-KBPBESRZSA-N 1 3 294.414 3.055 20 0 CGADHO CC1CCN(CCC[NH2+]CCCC(F)(F)F)CC1 ZINC001333658208 935557305 /nfs/dbraw/zinc/55/73/05/935557305.db2.gz OCESJMSFYLEEJW-UHFFFAOYSA-N 1 3 266.351 3.041 20 0 CGADHO CC(C)CCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001474347993 937853517 /nfs/dbraw/zinc/85/35/17/937853517.db2.gz AHGYCBWKBSNQBJ-KRWDZBQOSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001474347993 937853518 /nfs/dbraw/zinc/85/35/18/937853518.db2.gz AHGYCBWKBSNQBJ-KRWDZBQOSA-N 1 3 266.473 3.476 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC001549711935 938158848 /nfs/dbraw/zinc/15/88/48/938158848.db2.gz ZUZBVTFPOGUCLD-XUWVNRHRSA-N 1 3 258.409 3.038 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551238507 938178339 /nfs/dbraw/zinc/17/83/39/938178339.db2.gz XGELTLVKORVHDC-UPTPFMHGSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389167 938180994 /nfs/dbraw/zinc/18/09/94/938180994.db2.gz JMZWJAKLFGZFQF-PBHCIXSXSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(C)[C@H](NC2CC(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@H]21 ZINC001553023591 938195897 /nfs/dbraw/zinc/19/58/97/938195897.db2.gz YGUGZRJMHVZASB-NHHFINERSA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001553023591 938195898 /nfs/dbraw/zinc/19/58/98/938195898.db2.gz YGUGZRJMHVZASB-NHHFINERSA-N 1 3 284.447 3.299 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC2CC(c3ccc(Cl)cc3)C2)C12CCC2 ZINC001553026899 938196064 /nfs/dbraw/zinc/19/60/64/938196064.db2.gz ZYHLGYDHCVPUMM-GDVJOBBMSA-N 1 3 290.838 3.446 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2C[C@H]2c2ccccc2F)C1 ZINC001553292081 938197881 /nfs/dbraw/zinc/19/78/81/938197881.db2.gz QYIRUNRFELSAMF-NOLJZWGESA-N 1 3 276.399 3.049 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001560055732 938242774 /nfs/dbraw/zinc/24/27/74/938242774.db2.gz LDARGUOFYMNUMT-IKGGRYGDSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001560055732 938242775 /nfs/dbraw/zinc/24/27/75/938242775.db2.gz LDARGUOFYMNUMT-IKGGRYGDSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@H](C)[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155929 938245636 /nfs/dbraw/zinc/24/56/36/938245636.db2.gz YCHNZZQKKKUNJD-ZNMIVQPWSA-N 1 3 261.413 3.027 20 0 CGADHO CC[C@H](C)[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155929 938245637 /nfs/dbraw/zinc/24/56/37/938245637.db2.gz YCHNZZQKKKUNJD-ZNMIVQPWSA-N 1 3 261.413 3.027 20 0 CGADHO CCOc1ccc(Cl)cc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC001560361053 938255048 /nfs/dbraw/zinc/25/50/48/938255048.db2.gz HSABEIXKOSUJNA-DOMZBBRYSA-N 1 3 296.842 3.311 20 0 CGADHO C[C@H](C[NH2+]C[C@@H](C)CC1CCCCC1)CN(C)C ZINC001560488143 938260320 /nfs/dbraw/zinc/26/03/20/938260320.db2.gz SXIKDYNKPHBWMO-LSDHHAIUSA-N 1 3 254.462 3.380 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC(C)(C)C1 ZINC001560621832 938265952 /nfs/dbraw/zinc/26/59/52/938265952.db2.gz BLGDNMCXFSJJQD-UVPYHEFZSA-N 1 3 264.457 3.131 20 0 CGADHO CCC[C@H](C)CC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560989143 938287951 /nfs/dbraw/zinc/28/79/51/938287951.db2.gz RXYRGNJYSICEKZ-AOCRQIFASA-N 1 3 296.499 3.436 20 0 CGADHO CSc1ccc(CCN[C@@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC001579388186 960484019 /nfs/dbraw/zinc/48/40/19/960484019.db2.gz PPZMMEIOTZJRDO-ZFWWWQNUSA-N 1 3 278.465 3.071 20 0 CGADHO C1=C(CCNCc2nc3c(s2)C[NH2+]CC3)CCCCC1 ZINC001574774396 962324311 /nfs/dbraw/zinc/32/43/11/962324311.db2.gz MGDMBAUQGFRLEJ-UHFFFAOYSA-N 1 3 291.464 3.159 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001575423393 962372609 /nfs/dbraw/zinc/37/26/09/962372609.db2.gz TWBGNIGNLGUIMJ-CGTJXYLNSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001575423393 962372623 /nfs/dbraw/zinc/37/26/23/962372623.db2.gz TWBGNIGNLGUIMJ-CGTJXYLNSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC001575615189 962398928 /nfs/dbraw/zinc/39/89/28/962398928.db2.gz KBPMBMYJIKPMRQ-FUHWJXTLSA-N 1 3 290.451 3.329 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCCSCc1ccccc1 ZINC001576481822 962470813 /nfs/dbraw/zinc/47/08/13/962470813.db2.gz CQFRGOSBOVCFKA-MRXNPFEDSA-N 1 3 292.492 3.288 20 0 CGADHO CC1CCC(OC2CCN(CC3(C[NH3+])CCC3)CC2)CC1 ZINC001576671166 962485366 /nfs/dbraw/zinc/48/53/66/962485366.db2.gz SXJIGEJBZCHSFX-UHFFFAOYSA-N 1 3 294.483 3.175 20 0 CGADHO CCC(CC)(CN)C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC001577051529 962506832 /nfs/dbraw/zinc/50/68/32/962506832.db2.gz TWLQXIHQZXZFCG-UHFFFAOYSA-N 1 3 295.496 3.396 20 0 CGADHO COc1cccc2cc(C[NH2+][C@](C)(CN)CC(C)C)oc21 ZINC001579294381 962618508 /nfs/dbraw/zinc/61/85/08/962618508.db2.gz YMRQFBUHFXEBPR-KRWDZBQOSA-N 1 3 290.407 3.295 20 0 CGADHO Cc1ccc2ccccc2c1CN1CCC([NH3+])CC1 ZINC001579739864 962659621 /nfs/dbraw/zinc/65/96/21/962659621.db2.gz CUFPYGDONPYPRF-UHFFFAOYSA-N 1 3 254.377 3.071 20 0 CGADHO Cc1nc(CN2CCC3(CCC[C@H]3C[NH3+])CC2)sc1C ZINC001579856976 962682270 /nfs/dbraw/zinc/68/22/70/962682270.db2.gz DVSGAEJZSYAXIC-AWEZNQCLSA-N 1 3 293.480 3.101 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414949026 300324332 /nfs/dbraw/zinc/32/43/32/300324332.db2.gz ZKHFBNQBZCYDOB-PPWQZUPISA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423486585 529453603 /nfs/dbraw/zinc/45/36/03/529453603.db2.gz ZOMSWKUAVIJMQR-UONOGXRCSA-N 1 3 297.240 3.227 20 0 CGADHO C[NH+](C)CC1CCN(CCc2ccccc2Cl)CC1 ZINC000591080081 346899936 /nfs/dbraw/zinc/89/99/36/346899936.db2.gz VHPNBIBESMTMGU-UHFFFAOYSA-N 1 3 280.843 3.156 20 0 CGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc2c(c1)OCCO2 ZINC000423289020 529590891 /nfs/dbraw/zinc/59/08/91/529590891.db2.gz VSEGQOKNRBNLSS-AWEZNQCLSA-N 1 3 292.423 3.016 20 0 CGADHO CC[C@H](NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423252357 529606171 /nfs/dbraw/zinc/60/61/71/529606171.db2.gz UAJPJFASEUFTHG-ABAIWWIYSA-N 1 3 268.351 3.005 20 0 CGADHO CC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccncc1 ZINC000423296593 529629514 /nfs/dbraw/zinc/62/95/14/529629514.db2.gz ZMTDWCXMTUWNTJ-DYVFJYSZSA-N 1 3 269.392 3.342 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1cccc(Cl)c1 ZINC000423260556 529619117 /nfs/dbraw/zinc/61/91/17/529619117.db2.gz HMSVOBHRJAJOSW-KBPBESRZSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccc(Br)c1 ZINC000423436602 529650913 /nfs/dbraw/zinc/65/09/13/529650913.db2.gz FKBBAGGTYTVKCT-NRUUGDAUSA-N 1 3 285.229 3.226 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423391104 529670810 /nfs/dbraw/zinc/67/08/10/529670810.db2.gz PHYXZBDSDAPREZ-KKUMJFAQSA-N 1 3 292.423 3.014 20 0 CGADHO C[C@H](N[C@H]1CCCCC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000400364874 290042418 /nfs/dbraw/zinc/04/24/18/290042418.db2.gz DQNMKGYIJGPIHY-KKUMJFAQSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)[C@@H]1CCCN1 ZINC000400364874 290042421 /nfs/dbraw/zinc/04/24/21/290042421.db2.gz DQNMKGYIJGPIHY-KKUMJFAQSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432334 349807825 /nfs/dbraw/zinc/80/78/25/349807825.db2.gz NICWUMDXCMHQTB-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432334 349807828 /nfs/dbraw/zinc/80/78/28/349807828.db2.gz NICWUMDXCMHQTB-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)s1 ZINC000423378627 529722547 /nfs/dbraw/zinc/72/25/47/529722547.db2.gz MIIQHGUHMRPEQF-WOPDTQHZSA-N 1 3 252.427 3.102 20 0 CGADHO CCc1nc(C)c([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423267615 529729805 /nfs/dbraw/zinc/72/98/05/529729805.db2.gz CXNREQCWZMZSQZ-WCFLWFBJSA-N 1 3 281.469 3.182 20 0 CGADHO COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656173 349856726 /nfs/dbraw/zinc/85/67/26/349856726.db2.gz OOCHGWCVXBVMOQ-BJIFSAINSA-N 1 3 288.435 3.030 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000623657246 349857652 /nfs/dbraw/zinc/85/76/52/349857652.db2.gz MCHIHDFHLRWBEI-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423269563 529999650 /nfs/dbraw/zinc/99/96/50/529999650.db2.gz HFBFEDXGASZIOV-YNEHKIRRSA-N 1 3 268.832 3.277 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423269563 529999652 /nfs/dbraw/zinc/99/96/52/529999652.db2.gz HFBFEDXGASZIOV-YNEHKIRRSA-N 1 3 268.832 3.277 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2coc3ccccc23)CC1 ZINC000355054327 530051355 /nfs/dbraw/zinc/05/13/55/530051355.db2.gz KPTVGDGZRMRECC-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2coc3ccccc23)CC1 ZINC000355054327 530051356 /nfs/dbraw/zinc/05/13/56/530051356.db2.gz KPTVGDGZRMRECC-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872620 530052273 /nfs/dbraw/zinc/05/22/73/530052273.db2.gz VXGCREALHDDJSL-OAHLLOKOSA-N 1 3 282.497 3.222 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CCSC2(CCC2)CC1 ZINC000411872620 530052274 /nfs/dbraw/zinc/05/22/74/530052274.db2.gz VXGCREALHDDJSL-OAHLLOKOSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957645 349928141 /nfs/dbraw/zinc/92/81/41/349928141.db2.gz PMJIANQKIKRRQG-BVIKNXMNSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957645 349928144 /nfs/dbraw/zinc/92/81/44/349928144.db2.gz PMJIANQKIKRRQG-BVIKNXMNSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957645 349928148 /nfs/dbraw/zinc/92/81/48/349928148.db2.gz PMJIANQKIKRRQG-BVIKNXMNSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC000149447047 232202899 /nfs/dbraw/zinc/20/28/99/232202899.db2.gz RLKBMZXHVOIZSX-KRWDZBQOSA-N 1 3 258.409 3.058 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000094279041 345898014 /nfs/dbraw/zinc/89/80/14/345898014.db2.gz DGUVWTDCVYPGQM-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[N@H+](C/C=C\c1ccccc1)C1CCNCC1 ZINC000210458767 346285220 /nfs/dbraw/zinc/28/52/20/346285220.db2.gz IIIIVXYBMYKXMW-TWGQIWQCSA-N 1 3 258.409 3.164 20 0 CGADHO CCC[N@@H+](C/C=C\c1ccccc1)C1CCNCC1 ZINC000210458767 346285226 /nfs/dbraw/zinc/28/52/26/346285226.db2.gz IIIIVXYBMYKXMW-TWGQIWQCSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccs1 ZINC000624119390 349975306 /nfs/dbraw/zinc/97/53/06/349975306.db2.gz AMUBOUKHMOFXEC-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394556373 346576946 /nfs/dbraw/zinc/57/69/46/346576946.db2.gz CUVOFORPRIXJCR-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)C(F)(F)F ZINC000584714171 346709633 /nfs/dbraw/zinc/70/96/33/346709633.db2.gz ADYBNJLCOYFMAO-VXGBXAGGSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(F)c1 ZINC000624119539 349975724 /nfs/dbraw/zinc/97/57/24/349975724.db2.gz DSJKGUJBHGBRQN-KGLIPLIRSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862491 219229670 /nfs/dbraw/zinc/22/96/70/219229670.db2.gz POIYMZOYUQNEEG-CABCVRRESA-N 1 3 290.451 3.032 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000624120082 349977127 /nfs/dbraw/zinc/97/71/27/349977127.db2.gz QZESBLRZXJVOKI-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000624120082 349977130 /nfs/dbraw/zinc/97/71/30/349977130.db2.gz QZESBLRZXJVOKI-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000624120082 349977134 /nfs/dbraw/zinc/97/71/34/349977134.db2.gz QZESBLRZXJVOKI-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)[C@H](C)OC ZINC000128695338 187385174 /nfs/dbraw/zinc/38/51/74/187385174.db2.gz AWKXIFHTRTVBKZ-GJZGRUSLSA-N 1 3 278.440 3.041 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120954 349979096 /nfs/dbraw/zinc/97/90/96/349979096.db2.gz KQBYRZFKEQABIZ-UONOGXRCSA-N 1 3 266.454 3.001 20 0 CGADHO Fc1ccccc1[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000339381125 215136730 /nfs/dbraw/zinc/13/67/30/215136730.db2.gz ZJLALUJLQWAZPA-MRXNPFEDSA-N 1 3 290.426 3.491 20 0 CGADHO Fc1ccccc1[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000339381125 215136732 /nfs/dbraw/zinc/13/67/32/215136732.db2.gz ZJLALUJLQWAZPA-MRXNPFEDSA-N 1 3 290.426 3.491 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000624122495 349981092 /nfs/dbraw/zinc/98/10/92/349981092.db2.gz SRLMNRKFRBHTBA-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000624122495 349981095 /nfs/dbraw/zinc/98/10/95/349981095.db2.gz SRLMNRKFRBHTBA-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000624122495 349981099 /nfs/dbraw/zinc/98/10/99/349981099.db2.gz SRLMNRKFRBHTBA-CRAIPNDOSA-N 1 3 272.436 3.459 20 0 CGADHO CCC(C)(CC)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000604768003 348132895 /nfs/dbraw/zinc/13/28/95/348132895.db2.gz DJSMQTGETDXPPN-UHFFFAOYSA-N 1 3 278.440 3.295 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000339408206 215151564 /nfs/dbraw/zinc/15/15/64/215151564.db2.gz RJTRQPQCDQGJQY-XIRDDKMYSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000339408206 215151567 /nfs/dbraw/zinc/15/15/67/215151567.db2.gz RJTRQPQCDQGJQY-XIRDDKMYSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000339408206 215151569 /nfs/dbraw/zinc/15/15/69/215151569.db2.gz RJTRQPQCDQGJQY-XIRDDKMYSA-N 1 3 260.425 3.095 20 0 CGADHO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123465 349982666 /nfs/dbraw/zinc/98/26/66/349982666.db2.gz MHWOIUAJFORCCD-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CCCc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000608061448 348280774 /nfs/dbraw/zinc/28/07/74/348280774.db2.gz CISJOXBPRQTYEN-RHSMWYFYSA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000608061448 348280777 /nfs/dbraw/zinc/28/07/77/348280777.db2.gz CISJOXBPRQTYEN-RHSMWYFYSA-N 1 3 260.425 3.211 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000626063001 350254810 /nfs/dbraw/zinc/25/48/10/350254810.db2.gz NZJXFNSIFLZROT-CRAIPNDOSA-N 1 3 290.451 3.138 20 0 CGADHO Cc1nc(C)c(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000628202599 350438122 /nfs/dbraw/zinc/43/81/22/350438122.db2.gz AEFIDPWITAKROS-KBPBESRZSA-N 1 3 293.455 3.139 20 0 CGADHO C[C@]1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181440 350425887 /nfs/dbraw/zinc/42/58/87/350425887.db2.gz CKICFSGXQZWQQQ-JKSUJKDBSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@]1(C[N@@H+]2CCC[C@H](N3CCCC3)CC2)CCCS1 ZINC000628181440 350425889 /nfs/dbraw/zinc/42/58/89/350425889.db2.gz CKICFSGXQZWQQQ-JKSUJKDBSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@]1(C[N@H+]2CCC[C@H](N3CCCC3)CC2)CCCS1 ZINC000628181440 350425893 /nfs/dbraw/zinc/42/58/93/350425893.db2.gz CKICFSGXQZWQQQ-JKSUJKDBSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H]2C[C@H]2C1 ZINC000628460264 350544154 /nfs/dbraw/zinc/54/41/54/350544154.db2.gz OKWBELSHMZDWLV-HWWDLCQESA-N 1 3 285.435 3.076 20 0 CGADHO [NH3+]CC1CCC(NC2(c3c(F)cccc3F)CCC2)CC1 ZINC000629555843 350712722 /nfs/dbraw/zinc/71/27/22/350712722.db2.gz GOBMICAHOQPZDA-UHFFFAOYSA-N 1 3 294.389 3.451 20 0 CGADHO [NH3+]C[C@H]1CN(CCCC2CCC2)CC[C@H]1C(F)(F)F ZINC000629561804 350713761 /nfs/dbraw/zinc/71/37/61/350713761.db2.gz JPQWSHLNPSLEMW-QWHCGFSZSA-N 1 3 278.362 3.026 20 0 CGADHO [NH3+]C[C@H]1CN(CCCC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629561805 350713929 /nfs/dbraw/zinc/71/39/29/350713929.db2.gz JPQWSHLNPSLEMW-STQMWFEESA-N 1 3 278.362 3.026 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000629587218 350714881 /nfs/dbraw/zinc/71/48/81/350714881.db2.gz ZHMUUZIKAGYHKU-MRXNPFEDSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000629587218 350714885 /nfs/dbraw/zinc/71/48/85/350714885.db2.gz ZHMUUZIKAGYHKU-MRXNPFEDSA-N 1 3 288.435 3.004 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000629518406 350700743 /nfs/dbraw/zinc/70/07/43/350700743.db2.gz IWZYSOJWYUERPZ-BBWFWOEESA-N 1 3 287.451 3.073 20 0 CGADHO C[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)[C@H](C)O1 ZINC000631702333 351123102 /nfs/dbraw/zinc/12/31/02/351123102.db2.gz SEMVSHLMXQYWQM-CFVWQIKISA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)[C@H](C)O1 ZINC000631702333 351123105 /nfs/dbraw/zinc/12/31/05/351123105.db2.gz SEMVSHLMXQYWQM-CFVWQIKISA-N 1 3 294.483 3.185 20 0 CGADHO CCCCN1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631577295 351073880 /nfs/dbraw/zinc/07/38/80/351073880.db2.gz PUHCNLKNZTXTFY-SFHVURJKSA-N 1 3 287.451 3.313 20 0 CGADHO c1cnc2cccc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688265 351573447 /nfs/dbraw/zinc/57/34/47/351573447.db2.gz NILNWXBSGCZZMO-SJLPKXTDSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(F)c1 ZINC000635018651 351632762 /nfs/dbraw/zinc/63/27/62/351632762.db2.gz GFVXEAOFECGZMD-CYBMUJFWSA-N 1 3 284.378 3.322 20 0 CGADHO C[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCSCC1 ZINC000635003833 351621893 /nfs/dbraw/zinc/62/18/93/351621893.db2.gz BIXKGBSAQZNOHT-WMLDXEAASA-N 1 3 292.492 3.068 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CCc2ccccc2C1)Cc1ccccc1 ZINC000635006842 351624583 /nfs/dbraw/zinc/62/45/83/351624583.db2.gz TXHGFUJXGIZFMB-UXHICEINSA-N 1 3 294.442 3.094 20 0 CGADHO CC1CCC([NH2+]CC[C@H](N)Cc2ccccc2)CC1 ZINC000635007312 351625496 /nfs/dbraw/zinc/62/54/96/351625496.db2.gz VYOADFSSWPPZRG-WIHSUSGWSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H](Cc1cccs1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008469 351626566 /nfs/dbraw/zinc/62/65/66/351626566.db2.gz DREUCPAOZNDCJD-QWHCGFSZSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635008469 351626570 /nfs/dbraw/zinc/62/65/70/351626570.db2.gz DREUCPAOZNDCJD-QWHCGFSZSA-N 1 3 266.454 3.047 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCc3ccccc32)C1 ZINC000635012604 351630571 /nfs/dbraw/zinc/63/05/71/351630571.db2.gz UMVRYNWZSZSRBK-HOCLYGCPSA-N 1 3 258.409 3.042 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000635013211 351631940 /nfs/dbraw/zinc/63/19/40/351631940.db2.gz XHMQTUAVAWVJSU-BPCQOVAHSA-N 1 3 274.399 3.178 20 0 CGADHO Cc1ncc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000123346365 187085751 /nfs/dbraw/zinc/08/57/51/187085751.db2.gz RFXISZXATFMFIV-UHFFFAOYSA-N 1 3 281.469 3.005 20 0 CGADHO COC[C@@H](C)N(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352285474 219393228 /nfs/dbraw/zinc/39/32/28/219393228.db2.gz FWTVQLIIULEKDI-MRXNPFEDSA-N 1 3 292.467 3.111 20 0 CGADHO COC[C@@H](C)N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352285474 219393230 /nfs/dbraw/zinc/39/32/30/219393230.db2.gz FWTVQLIIULEKDI-MRXNPFEDSA-N 1 3 292.467 3.111 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000158148917 188360189 /nfs/dbraw/zinc/36/01/89/188360189.db2.gz BZWVRSFAGJQZBE-HNNXBMFYSA-N 1 3 280.843 3.156 20 0 CGADHO Fc1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423391736 282997849 /nfs/dbraw/zinc/99/78/49/282997849.db2.gz PQTLUFWAJHCLMR-GOSISDBHSA-N 1 3 282.362 3.206 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000414169613 235352847 /nfs/dbraw/zinc/35/28/47/235352847.db2.gz BDCAMKATJRHRSI-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169613 235352849 /nfs/dbraw/zinc/35/28/49/235352849.db2.gz BDCAMKATJRHRSI-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1F ZINC000414201327 235362681 /nfs/dbraw/zinc/36/26/81/235362681.db2.gz YAJTXVOEEZYJKF-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201327 235362684 /nfs/dbraw/zinc/36/26/84/235362684.db2.gz YAJTXVOEEZYJKF-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H]1C[C@@H](NC2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348576 291082272 /nfs/dbraw/zinc/08/22/72/291082272.db2.gz IHEQJECPHUVVMH-HOCLYGCPSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@H]1C[C@@H](NC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348576 291082274 /nfs/dbraw/zinc/08/22/74/291082274.db2.gz IHEQJECPHUVVMH-HOCLYGCPSA-N 1 3 258.409 3.138 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488313 138346173 /nfs/dbraw/zinc/34/61/73/138346173.db2.gz CKURFCNGIZJJKF-OKZBNKHCSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000093495782 138346925 /nfs/dbraw/zinc/34/69/25/138346925.db2.gz BQVTVXVCVBALLF-PBHICJAKSA-N 1 3 278.415 3.269 20 0 CGADHO Cc1ccc(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000093688429 138348020 /nfs/dbraw/zinc/34/80/20/138348020.db2.gz VWRXFCDBJMWUAN-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2ccccc2Br)CC1 ZINC000110645052 138363249 /nfs/dbraw/zinc/36/32/49/138363249.db2.gz PVGGXVCWEGELAG-NSHDSACASA-N 1 3 297.240 3.008 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(F)c2ccccc21 ZINC000423224955 236000470 /nfs/dbraw/zinc/00/04/70/236000470.db2.gz KSGNBKHKSUVQMU-NWDGAFQWSA-N 1 3 260.356 3.367 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423260462 236013204 /nfs/dbraw/zinc/01/32/04/236013204.db2.gz QCVIQJYSMYBHCM-RYUDHWBXSA-N 1 3 268.351 3.005 20 0 CGADHO Cc1ccc2cc([C@H](C)[NH2+][C@H](CN)C3CC3)oc2c1 ZINC000423273819 236017219 /nfs/dbraw/zinc/01/72/19/236017219.db2.gz JNHBAFHNUIQNLW-SMDDNHRTSA-N 1 3 258.365 3.129 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423274359 236017349 /nfs/dbraw/zinc/01/73/49/236017349.db2.gz KDVOYPKGKANIDQ-XNJGSVPQSA-N 1 3 296.405 3.393 20 0 CGADHO N[C@@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000423312519 236034111 /nfs/dbraw/zinc/03/41/11/236034111.db2.gz DGQGZSDGKWMTLE-RBUKOAKNSA-N 1 3 280.415 3.297 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423316248 236036107 /nfs/dbraw/zinc/03/61/07/236036107.db2.gz ZTUZCRLYJATYPS-ZLDLUXBVSA-N 1 3 266.816 3.161 20 0 CGADHO N[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321211 236037910 /nfs/dbraw/zinc/03/79/10/236037910.db2.gz NBFNRNNAQCRZFU-HUUCEWRRSA-N 1 3 264.800 3.118 20 0 CGADHO Clc1ccc([C@H](CC2CC2)NC[C@H]2CC[NH2+]C2)cc1 ZINC000423327197 236040438 /nfs/dbraw/zinc/04/04/38/236040438.db2.gz DAYBKDVJJLQCPK-BBRMVZONSA-N 1 3 278.827 3.380 20 0 CGADHO C[C@H](Cc1ccccc1C(F)(F)F)NCC1([NH3+])CCC1 ZINC000423336588 236043682 /nfs/dbraw/zinc/04/36/82/236043682.db2.gz USZKHHGTGJOBMY-LLVKDONJSA-N 1 3 286.341 3.107 20 0 CGADHO C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1cccc(Br)c1 ZINC000423362597 236050265 /nfs/dbraw/zinc/05/02/65/236050265.db2.gz NCLZXSRDPQVNIU-SUNKGSAMSA-N 1 3 297.240 3.098 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)cc1C ZINC000423379286 236056281 /nfs/dbraw/zinc/05/62/81/236056281.db2.gz MXSWCDNLWHJTTL-JYJNAYRXSA-N 1 3 260.425 3.403 20 0 CGADHO CCn1cc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423511550 236090780 /nfs/dbraw/zinc/09/07/80/236090780.db2.gz UDFRRKXRLVWJQN-YOEHRIQHSA-N 1 3 286.423 3.034 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccsc1 ZINC000294380974 199018059 /nfs/dbraw/zinc/01/80/59/199018059.db2.gz IINLEBXCVZYTOU-CYBMUJFWSA-N 1 3 254.443 3.377 20 0 CGADHO Fc1cc(CNCCCCC[NH+]2CCCCC2)c(F)cn1 ZINC000294932670 199256474 /nfs/dbraw/zinc/25/64/74/199256474.db2.gz DGOVLYPNLCQRJU-UHFFFAOYSA-N 1 3 297.393 3.106 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436303516 237077757 /nfs/dbraw/zinc/07/77/57/237077757.db2.gz CTDXRUBIFDGWOT-GXTWGEPZSA-N 1 3 289.398 3.269 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423144454 283482412 /nfs/dbraw/zinc/48/24/12/283482412.db2.gz GYUCGYDRFUCNDD-AMKSKSKJSA-N 1 3 280.362 3.059 20 0 CGADHO [NH3+]C1(CNCCCOc2cccc3ccccc32)CCC1 ZINC000342122272 216228218 /nfs/dbraw/zinc/22/82/18/216228218.db2.gz BGDKWSMUPNCZHO-UHFFFAOYSA-N 1 3 284.403 3.080 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240475 189291895 /nfs/dbraw/zinc/29/18/95/189291895.db2.gz OOLXYAUBXAAGPR-IXDOHACOSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240475 189291896 /nfs/dbraw/zinc/29/18/96/189291896.db2.gz OOLXYAUBXAAGPR-IXDOHACOSA-N 1 3 290.451 3.225 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258310 189351982 /nfs/dbraw/zinc/35/19/82/189351982.db2.gz IYQBBGZSDUYXKT-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000449089247 239171156 /nfs/dbraw/zinc/17/11/56/239171156.db2.gz JLQZJOXKGSGHOO-OAUYIBNBSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000449089247 239171160 /nfs/dbraw/zinc/17/11/60/239171160.db2.gz JLQZJOXKGSGHOO-OAUYIBNBSA-N 1 3 294.389 3.285 20 0 CGADHO Cc1ccc2nccc(NC[C@H](C3CC3)[NH+](C)C)c2c1 ZINC000302138192 201360073 /nfs/dbraw/zinc/36/00/73/201360073.db2.gz CGBJBRYHTYMVNS-QGZVFWFLSA-N 1 3 269.392 3.295 20 0 CGADHO COc1cc(F)cc(C[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000449243483 239265202 /nfs/dbraw/zinc/26/52/02/239265202.db2.gz LBQZHNLTLGEFCY-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000183192302 299342845 /nfs/dbraw/zinc/34/28/45/299342845.db2.gz FNSYEBUIJBWHRT-KCQAQPDRSA-N 1 3 250.430 3.028 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)C1(C)C ZINC000120703263 370791822 /nfs/dbraw/zinc/79/18/22/370791822.db2.gz OASBRQVSANIFIM-DLBZAZTESA-N 1 3 290.451 3.041 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275869338 193151865 /nfs/dbraw/zinc/15/18/65/193151865.db2.gz NYSJWAXHKCQVMQ-RTBURBONSA-N 1 3 284.447 3.348 20 0 CGADHO Cc1cc(NCc2cnccc2N(C)C)ccc1C[NH+](C)C ZINC000459755957 242214731 /nfs/dbraw/zinc/21/47/31/242214731.db2.gz JXGMKCKUYMYEDW-UHFFFAOYSA-N 1 3 298.434 3.130 20 0 CGADHO Cc1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000462802693 242364884 /nfs/dbraw/zinc/36/48/84/242364884.db2.gz MJIBBSLBDXLDTA-HZPDHXFCSA-N 1 3 292.854 3.407 20 0 CGADHO Cc1cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000462802693 242364888 /nfs/dbraw/zinc/36/48/88/242364888.db2.gz MJIBBSLBDXLDTA-HZPDHXFCSA-N 1 3 292.854 3.407 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000477927958 243060893 /nfs/dbraw/zinc/06/08/93/243060893.db2.gz QGUFTHBJZFDDTM-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000477137621 243035505 /nfs/dbraw/zinc/03/55/05/243035505.db2.gz VWQJIEDLJDOEPC-HIFRSBDPSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000477137621 243035512 /nfs/dbraw/zinc/03/55/12/243035512.db2.gz VWQJIEDLJDOEPC-HIFRSBDPSA-N 1 3 297.446 3.422 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335488222 212165662 /nfs/dbraw/zinc/16/56/62/212165662.db2.gz POLCDRQFBRGJCB-WTIISPKJSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000479994570 243132881 /nfs/dbraw/zinc/13/28/81/243132881.db2.gz QRHOMXOSLJVRHY-SWLSCSKDSA-N 1 3 298.883 3.362 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000479994570 243132885 /nfs/dbraw/zinc/13/28/85/243132885.db2.gz QRHOMXOSLJVRHY-SWLSCSKDSA-N 1 3 298.883 3.362 20 0 CGADHO C[C@H](C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C)CN1CCCC1 ZINC000481305769 243187577 /nfs/dbraw/zinc/18/75/77/243187577.db2.gz KCRBNDUPEVTBHW-LBTNJELSSA-N 1 3 290.426 3.381 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000487546406 243443382 /nfs/dbraw/zinc/44/33/82/243443382.db2.gz ZEKJCLFCDFSOJX-YOEHRIQHSA-N 1 3 287.451 3.322 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC000423078969 296126504 /nfs/dbraw/zinc/12/65/04/296126504.db2.gz WYTCCTFBSYUTIX-MGPQQGTHSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cccc(CO)c1 ZINC000184500954 296126577 /nfs/dbraw/zinc/12/65/77/296126577.db2.gz GRVGHEMULRNDPL-JKSUJKDBSA-N 1 3 290.451 3.094 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1ccccc1F ZINC000019915240 368783742 /nfs/dbraw/zinc/78/37/42/368783742.db2.gz BANPPCPRQWHMEI-AWEZNQCLSA-N 1 3 266.404 3.426 20 0 CGADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC ZINC000036995105 369047292 /nfs/dbraw/zinc/04/72/92/369047292.db2.gz UERCZFWDJUZPET-BTFYYFJDSA-N 1 3 288.435 3.361 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000037150540 369069047 /nfs/dbraw/zinc/06/90/47/369069047.db2.gz AYXQELVADJHQSN-UHFFFAOYSA-N 1 3 290.451 3.363 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000037644321 369095698 /nfs/dbraw/zinc/09/56/98/369095698.db2.gz PLHBWNIMAACWLS-WDEREUQCSA-N 1 3 272.845 3.394 20 0 CGADHO C[C@H](NCCCC[NH3+])c1ccc(Cl)cc1Cl ZINC000037714854 369100243 /nfs/dbraw/zinc/10/02/43/369100243.db2.gz QMONUKJCLIQOBW-VIFPVBQESA-N 1 3 261.196 3.383 20 0 CGADHO Cc1ccccc1C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000037997513 369136760 /nfs/dbraw/zinc/13/67/60/369136760.db2.gz NTLTWBBNNKVRMG-OAHLLOKOSA-N 1 3 260.425 3.207 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000066152292 369688336 /nfs/dbraw/zinc/68/83/36/369688336.db2.gz NYRMYDSLJAHJRU-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC000070091544 369778914 /nfs/dbraw/zinc/77/89/14/369778914.db2.gz KDDOJSWUNNMYKW-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2sccc2C)C1 ZINC000070091544 369778918 /nfs/dbraw/zinc/77/89/18/369778918.db2.gz KDDOJSWUNNMYKW-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2sccc2C)C1 ZINC000070091544 369778921 /nfs/dbraw/zinc/77/89/21/369778921.db2.gz KDDOJSWUNNMYKW-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)C12CCC2 ZINC000087710427 370029388 /nfs/dbraw/zinc/02/93/88/370029388.db2.gz QYNJWQWWWIGFEL-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H](NC[C@@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000087710427 370029394 /nfs/dbraw/zinc/02/93/94/370029394.db2.gz QYNJWQWWWIGFEL-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093453101 370132187 /nfs/dbraw/zinc/13/21/87/370132187.db2.gz HUDFYOCXIXNLOA-KURKYZTESA-N 1 3 272.436 3.048 20 0 CGADHO Cc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1 ZINC000097861878 370256375 /nfs/dbraw/zinc/25/63/75/370256375.db2.gz YRMMAWVBIRMILQ-RHSMWYFYSA-N 1 3 283.419 3.116 20 0 CGADHO Cc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1 ZINC000097861878 370256377 /nfs/dbraw/zinc/25/63/77/370256377.db2.gz YRMMAWVBIRMILQ-RHSMWYFYSA-N 1 3 283.419 3.116 20 0 CGADHO CC(C)C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132101315 371151564 /nfs/dbraw/zinc/15/15/64/371151564.db2.gz NNCLJLSSXSOUOA-DOTOQJQBSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132101315 371151567 /nfs/dbraw/zinc/15/15/67/371151567.db2.gz NNCLJLSSXSOUOA-DOTOQJQBSA-N 1 3 260.425 3.363 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC(C)(C)CN(C)C ZINC000132119717 371153469 /nfs/dbraw/zinc/15/34/69/371153469.db2.gz NNOIVAYOMCBNLQ-INIZCTEOSA-N 1 3 290.451 3.386 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2ccccc2)C1 ZINC000151104725 371570431 /nfs/dbraw/zinc/57/04/31/371570431.db2.gz ZHTYDJLQDHECCX-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2ccccc2)C1 ZINC000151104725 371570442 /nfs/dbraw/zinc/57/04/42/371570442.db2.gz ZHTYDJLQDHECCX-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC000151104725 371570450 /nfs/dbraw/zinc/57/04/50/371570450.db2.gz ZHTYDJLQDHECCX-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)cc2)C1 ZINC000151138170 371573553 /nfs/dbraw/zinc/57/35/53/371573553.db2.gz VPSADLOLGMOEKZ-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)cc2)C1 ZINC000151138170 371573560 /nfs/dbraw/zinc/57/35/60/371573560.db2.gz VPSADLOLGMOEKZ-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000151138170 371573566 /nfs/dbraw/zinc/57/35/66/371573566.db2.gz VPSADLOLGMOEKZ-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO COC1([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)CCCC1 ZINC000421842456 371664521 /nfs/dbraw/zinc/66/45/21/371664521.db2.gz NWOKGDHMKZTAQQ-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO COC1([C@@H](C)NCC(C)(C)C[NH+]2CCCC2)CCCC1 ZINC000421842456 371664528 /nfs/dbraw/zinc/66/45/28/371664528.db2.gz NWOKGDHMKZTAQQ-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1Cl)CN(C)C ZINC000421851106 371672151 /nfs/dbraw/zinc/67/21/51/371672151.db2.gz FIMPUZNNHAVHDU-NEPJUHHUSA-N 1 3 286.822 3.197 20 0 CGADHO C[C@H](CN[C@@H](C)Cc1ccc(F)cc1Cl)C[NH+](C)C ZINC000421851106 371672155 /nfs/dbraw/zinc/67/21/55/371672155.db2.gz FIMPUZNNHAVHDU-NEPJUHHUSA-N 1 3 286.822 3.197 20 0 CGADHO CC(C)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000151763341 371632462 /nfs/dbraw/zinc/63/24/62/371632462.db2.gz JKYQMXRPGDGMHT-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO C[NH+](C)CCC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000151964911 371658791 /nfs/dbraw/zinc/65/87/91/371658791.db2.gz VRQIZSNEWHXECT-UHFFFAOYSA-N 1 3 296.405 3.171 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422763246 371792155 /nfs/dbraw/zinc/79/21/55/371792155.db2.gz OQEPCAUBXKMPAL-UXIGCNINSA-N 1 3 293.480 3.174 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422764634 371792514 /nfs/dbraw/zinc/79/25/14/371792514.db2.gz KCIKNJHOKVJJLI-IAGOWNOFSA-N 1 3 292.492 3.335 20 0 CGADHO Cc1ccccc1OCCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422732936 371773390 /nfs/dbraw/zinc/77/33/90/371773390.db2.gz ALPQHGYYQMULPQ-JKSUJKDBSA-N 1 3 276.424 3.014 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737275 371774770 /nfs/dbraw/zinc/77/47/70/371774770.db2.gz ZLWFPMOCNMVLMS-RBUKOAKNSA-N 1 3 296.414 3.235 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422763244 371793151 /nfs/dbraw/zinc/79/31/51/371793151.db2.gz OQEPCAUBXKMPAL-NJZAAPMLSA-N 1 3 293.480 3.174 20 0 CGADHO C[C@@H](NCCCCN(C)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422744226 371780371 /nfs/dbraw/zinc/78/03/71/371780371.db2.gz VRKOXJCFNUKNID-AEFFLSMTSA-N 1 3 289.467 3.023 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337333497 214011872 /nfs/dbraw/zinc/01/18/72/214011872.db2.gz JSVXJKMLDBXPOR-JFIYKMOQSA-N 1 3 287.451 3.039 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422760761 371790795 /nfs/dbraw/zinc/79/07/95/371790795.db2.gz HDNDGDBBXQLPEE-IAGOWNOFSA-N 1 3 292.492 3.478 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000422830333 371833151 /nfs/dbraw/zinc/83/31/51/371833151.db2.gz CSFWJTNLIHUABX-CENBSLRLSA-N 1 3 264.388 3.165 20 0 CGADHO Cc1ccc(CSCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422771876 371796381 /nfs/dbraw/zinc/79/63/81/371796381.db2.gz RTCJQKZCLDTKPZ-SJPCQFCGSA-N 1 3 290.476 3.101 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422774581 371798483 /nfs/dbraw/zinc/79/84/83/371798483.db2.gz XNLKAAPHVWHPLN-PYVGIJRLSA-N 1 3 296.499 3.323 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000422788646 371808987 /nfs/dbraw/zinc/80/89/87/371808987.db2.gz VVVUHKIXGIXQFW-DCAQKATOSA-N 1 3 285.229 3.226 20 0 CGADHO C(CCC1CCCC1)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422797675 371815566 /nfs/dbraw/zinc/81/55/66/371815566.db2.gz NYULKGWUHXQKML-KZNAEPCWSA-N 1 3 294.483 3.094 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422808378 371822803 /nfs/dbraw/zinc/82/28/03/371822803.db2.gz KZHMKVOZVXAHQX-RCCFBDPRSA-N 1 3 284.447 3.229 20 0 CGADHO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCCN1)C1CCOCC1 ZINC000422806977 371822833 /nfs/dbraw/zinc/82/28/33/371822833.db2.gz JETQTNRFHAAHIC-PVAVHDDUSA-N 1 3 282.472 3.092 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422808371 371822948 /nfs/dbraw/zinc/82/29/48/371822948.db2.gz KZHMKVOZVXAHQX-FGTMMUONSA-N 1 3 284.447 3.229 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc(-c2ccncc2)cc1 ZINC000422815978 371827619 /nfs/dbraw/zinc/82/76/19/371827619.db2.gz YWIAMQOSCFNZTL-CQSZACIVSA-N 1 3 281.403 3.151 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948009 371887058 /nfs/dbraw/zinc/88/70/58/371887058.db2.gz RJQPERMHYXEGPE-YJBOKZPZSA-N 1 3 288.435 3.225 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422891824 371858061 /nfs/dbraw/zinc/85/80/61/371858061.db2.gz LOUYSKHMEHQOHQ-BFHYXJOUSA-N 1 3 264.413 3.250 20 0 CGADHO CCc1nc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000422898017 371859429 /nfs/dbraw/zinc/85/94/29/371859429.db2.gz DHKHJESOYYAAQS-UONOGXRCSA-N 1 3 295.496 3.148 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422898678 371859986 /nfs/dbraw/zinc/85/99/86/371859986.db2.gz MOTXJXYOCLWMAV-AEFFLSMTSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1c(F)cccc1Cl ZINC000422918559 371869056 /nfs/dbraw/zinc/86/90/56/371869056.db2.gz HOERRMJBXVIOEL-ZJUUUORDSA-N 1 3 258.768 3.257 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931722 371877518 /nfs/dbraw/zinc/87/75/18/371877518.db2.gz CPMNVCCEKVMOMF-BBRMVZONSA-N 1 3 296.842 3.216 20 0 CGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000422936469 371880040 /nfs/dbraw/zinc/88/00/40/371880040.db2.gz IFMPORJJMNYGLT-LMCYLSQRSA-N 1 3 296.499 3.181 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423050909 371935989 /nfs/dbraw/zinc/93/59/89/371935989.db2.gz MHGKKZLEOMBLAI-CXAGYDPISA-N 1 3 296.405 3.265 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1cccc(Cl)c1F ZINC000423052006 371936217 /nfs/dbraw/zinc/93/62/17/371936217.db2.gz PRKMEVGXEWQBIH-QWRGUYRKSA-N 1 3 286.822 3.472 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423052006 371936226 /nfs/dbraw/zinc/93/62/26/371936226.db2.gz PRKMEVGXEWQBIH-QWRGUYRKSA-N 1 3 286.822 3.472 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423053059 371936672 /nfs/dbraw/zinc/93/66/72/371936672.db2.gz RYEGACUHDFUCJL-DYVFJYSZSA-N 1 3 286.419 3.261 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423053059 371936681 /nfs/dbraw/zinc/93/66/81/371936681.db2.gz RYEGACUHDFUCJL-DYVFJYSZSA-N 1 3 286.419 3.261 20 0 CGADHO COc1cccc(C[C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422957880 371890927 /nfs/dbraw/zinc/89/09/27/371890927.db2.gz VTZGGRZEKZDQID-BKTGTZMESA-N 1 3 296.414 3.361 20 0 CGADHO C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])Oc1ccccc1 ZINC000422982528 371901325 /nfs/dbraw/zinc/90/13/25/371901325.db2.gz QZQCNEHCKDDVQG-JTDSTZFVSA-N 1 3 298.430 3.002 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981531 371901468 /nfs/dbraw/zinc/90/14/68/371901468.db2.gz ORFKTTFJCZFFNA-HUUCEWRRSA-N 1 3 258.365 3.182 20 0 CGADHO Cc1c(C)c(C)c(CN[C@@H](C)[C@H]2CC[NH2+]C2)c(C)c1C ZINC000422994478 371905707 /nfs/dbraw/zinc/90/57/07/371905707.db2.gz HUHWUQWBJDUGGY-IRXDYDNUSA-N 1 3 274.452 3.316 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000422998228 371908674 /nfs/dbraw/zinc/90/86/74/371908674.db2.gz WABTUJXAMUOWED-FJIDUMEYSA-N 1 3 272.436 3.430 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1cccc(F)c1F ZINC000423025433 371923101 /nfs/dbraw/zinc/92/31/01/371923101.db2.gz OFCKKNUICCPRQU-QWRGUYRKSA-N 1 3 256.340 3.133 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCn1c2ccccc2c2ccccc21 ZINC000423035665 371926194 /nfs/dbraw/zinc/92/61/94/371926194.db2.gz SGNJVMFGEVMOFR-DLBZAZTESA-N 1 3 293.414 3.264 20 0 CGADHO Cc1ccncc1CCC[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000290200607 371931712 /nfs/dbraw/zinc/93/17/12/371931712.db2.gz CWMAWZOHPXZAJY-QGZVFWFLSA-N 1 3 289.467 3.033 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423098052 371962947 /nfs/dbraw/zinc/96/29/47/371962947.db2.gz JVDNRTJRZSKNQJ-FQXVJMBOSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NC1CC(C)(c2ccccc2)C1 ZINC000423098052 371962953 /nfs/dbraw/zinc/96/29/53/371962953.db2.gz JVDNRTJRZSKNQJ-FQXVJMBOSA-N 1 3 272.436 3.084 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423103655 371968116 /nfs/dbraw/zinc/96/81/16/371968116.db2.gz XSRGQINQYSSUKC-OSMBCOQSSA-N 1 3 294.389 3.460 20 0 CGADHO C[C@H](NC1CC(c2ccc(F)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423107484 371969348 /nfs/dbraw/zinc/96/93/48/371969348.db2.gz SCQIWDLFYOEMKD-UZYDLOFFSA-N 1 3 296.817 3.313 20 0 CGADHO CC1(C)CCc2ccccc2[C@@H](NC2CC[NH2+]CC2)C1 ZINC000423106338 371969411 /nfs/dbraw/zinc/96/94/11/371969411.db2.gz RKCHFQSWBLZTPU-KRWDZBQOSA-N 1 3 272.436 3.432 20 0 CGADHO CC1(C)CCc2ccccc2[C@@H]([NH2+]C2CCNCC2)C1 ZINC000423106338 371969415 /nfs/dbraw/zinc/96/94/15/371969415.db2.gz RKCHFQSWBLZTPU-KRWDZBQOSA-N 1 3 272.436 3.432 20 0 CGADHO CSCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000423115228 371975309 /nfs/dbraw/zinc/97/53/09/371975309.db2.gz XODUPRJSRXXXOV-JKSUJKDBSA-N 1 3 278.465 3.299 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCc2sc(Cl)cc21 ZINC000423120435 371977026 /nfs/dbraw/zinc/97/70/26/371977026.db2.gz GNTUORIVTMMTMO-GDPRMGEGSA-N 1 3 270.829 3.106 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423125322 371978673 /nfs/dbraw/zinc/97/86/73/371978673.db2.gz QIYCPLNAPXMRNZ-ZJPYXAASSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(C(C)(C)C)C1 ZINC000423132042 371982726 /nfs/dbraw/zinc/98/27/26/371982726.db2.gz ISYBCFIDNIDKOF-YJNKEBTESA-N 1 3 274.452 3.359 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]CC[C@H]1C)CCC2 ZINC000423137669 371986644 /nfs/dbraw/zinc/98/66/44/371986644.db2.gz WTFSYHOGKFIHCK-ZTFGCOKTSA-N 1 3 272.436 3.350 20 0 CGADHO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423170975 372002909 /nfs/dbraw/zinc/00/29/09/372002909.db2.gz ZEGGLJQFDFQBLZ-IAOVAPTHSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC/C=C/c1ccc(Br)cc1 ZINC000423160316 371996105 /nfs/dbraw/zinc/99/61/05/371996105.db2.gz QJDMRUVSHUEVRL-HEKLCECKSA-N 1 3 297.240 3.178 20 0 CGADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000423068719 371946057 /nfs/dbraw/zinc/94/60/57/371946057.db2.gz KTZMQQSRIUDSHH-NUUXYWTLSA-N 1 3 294.483 3.092 20 0 CGADHO c1cnc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000423089606 371956205 /nfs/dbraw/zinc/95/62/05/371956205.db2.gz VQHFDDHYLAAHDM-BHIYHBOVSA-N 1 3 295.430 3.245 20 0 CGADHO C[NH2+]CCCN[C@@H](c1cccs1)C1CCCC1 ZINC000423198146 372023011 /nfs/dbraw/zinc/02/30/11/372023011.db2.gz DJVFAWJLOHXGAR-CQSZACIVSA-N 1 3 252.427 3.179 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CCN1 ZINC000423394404 372060639 /nfs/dbraw/zinc/06/06/39/372060639.db2.gz ZOZBEPAFNWQHNM-PBFPGSCMSA-N 1 3 283.419 3.275 20 0 CGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423218385 372037341 /nfs/dbraw/zinc/03/73/41/372037341.db2.gz RXZPCGDQZWNDFV-KMFMINBZSA-N 1 3 276.424 3.124 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](c1cccs1)C1CCCC1 ZINC000423267841 372045937 /nfs/dbraw/zinc/04/59/37/372045937.db2.gz FKIWRBWQOGXECM-DOMZBBRYSA-N 1 3 266.454 3.425 20 0 CGADHO CCC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423367449 372055186 /nfs/dbraw/zinc/05/51/86/372055186.db2.gz MLSMCNKSMHTPPN-RBOXIYTFSA-N 1 3 282.378 3.189 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158186122 372057336 /nfs/dbraw/zinc/05/73/36/372057336.db2.gz RWZHTOPEBZIWFH-CHWSQXEVSA-N 1 3 278.465 3.229 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158186122 372057339 /nfs/dbraw/zinc/05/73/39/372057339.db2.gz RWZHTOPEBZIWFH-CHWSQXEVSA-N 1 3 278.465 3.229 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000423181656 372010902 /nfs/dbraw/zinc/01/09/02/372010902.db2.gz LIRRCLGFSPEUNJ-UWVGGRQHSA-N 1 3 289.345 3.088 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)CN(C)C)CCCO2 ZINC000425924519 372145174 /nfs/dbraw/zinc/14/51/74/372145174.db2.gz PNXBCPDPVUMMNZ-SUMWQHHRSA-N 1 3 290.451 3.304 20 0 CGADHO Cc1ccc(CNCCCC[NH+](C)C)c(Br)c1 ZINC000159298164 372129260 /nfs/dbraw/zinc/12/92/60/372129260.db2.gz LNYCAABDZFCMAC-UHFFFAOYSA-N 1 3 299.256 3.189 20 0 CGADHO C/C(=C\c1ccccc1)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292788489 372211688 /nfs/dbraw/zinc/21/16/88/372211688.db2.gz MEYBECYZGOOQHH-QIPRVMPFSA-N 1 3 270.420 3.118 20 0 CGADHO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292788489 372211691 /nfs/dbraw/zinc/21/16/91/372211691.db2.gz MEYBECYZGOOQHH-QIPRVMPFSA-N 1 3 270.420 3.118 20 0 CGADHO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc2n1 ZINC000292932535 372252193 /nfs/dbraw/zinc/25/21/93/372252193.db2.gz AOSQCTUSSCCUHG-INIZCTEOSA-N 1 3 295.430 3.465 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000344339201 217156509 /nfs/dbraw/zinc/15/65/09/217156509.db2.gz WFIWQPNFRSTKHC-GFCCVEGCSA-N 1 3 276.449 3.149 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cccn2CCC(C)C)C1 ZINC000161850881 372357755 /nfs/dbraw/zinc/35/77/55/372357755.db2.gz TVARCGONTVCSFD-QGZVFWFLSA-N 1 3 291.483 3.356 20 0 CGADHO Cc1sccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000293507577 372398198 /nfs/dbraw/zinc/39/81/98/372398198.db2.gz HULXYJJIRYFKIS-UHFFFAOYSA-N 1 3 264.438 3.021 20 0 CGADHO COC1(C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)CCC1 ZINC000429434281 372366204 /nfs/dbraw/zinc/36/62/04/372366204.db2.gz ZNNDAVRZYLOQER-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000163223242 372454890 /nfs/dbraw/zinc/45/48/90/372454890.db2.gz XLMTXFBPICHQCT-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)n1 ZINC000163347908 372462091 /nfs/dbraw/zinc/46/20/91/372462091.db2.gz BAWMATYNPSTDES-DOTOQJQBSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)n1 ZINC000163347908 372462097 /nfs/dbraw/zinc/46/20/97/372462097.db2.gz BAWMATYNPSTDES-DOTOQJQBSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000166483639 372575042 /nfs/dbraw/zinc/57/50/42/372575042.db2.gz MPBFXTPFERWBAP-DLBZAZTESA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000166483639 372575051 /nfs/dbraw/zinc/57/50/51/372575051.db2.gz MPBFXTPFERWBAP-DLBZAZTESA-N 1 3 297.446 3.235 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(F)c1 ZINC000166514573 372577181 /nfs/dbraw/zinc/57/71/81/372577181.db2.gz VSBSLRVLCNRHGN-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO CCN(C/C=C/c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389369 372758397 /nfs/dbraw/zinc/75/83/97/372758397.db2.gz KMJBFZDZDUKFRY-PYUISTEWSA-N 1 3 258.409 3.164 20 0 CGADHO CCN(C/C=C/c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435389367 372758929 /nfs/dbraw/zinc/75/89/29/372758929.db2.gz KMJBFZDZDUKFRY-JEJOPICUSA-N 1 3 258.409 3.164 20 0 CGADHO CN(Cc1cc2ccccc2s1)[C@@H]1CCC[NH2+]CC1 ZINC000435434002 372763400 /nfs/dbraw/zinc/76/34/00/372763400.db2.gz VPRBEXSXJWOZGM-CQSZACIVSA-N 1 3 274.433 3.475 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000344613134 217249720 /nfs/dbraw/zinc/24/97/20/217249720.db2.gz FCFKHSBLZIDDTL-KXBFYZLASA-N 1 3 295.430 3.321 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613134 217249722 /nfs/dbraw/zinc/24/97/22/217249722.db2.gz FCFKHSBLZIDDTL-KXBFYZLASA-N 1 3 295.430 3.321 20 0 CGADHO CC(=O)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000295594702 372841922 /nfs/dbraw/zinc/84/19/22/372841922.db2.gz TXKUUIBYRGZGEK-UHFFFAOYSA-N 1 3 288.435 3.053 20 0 CGADHO CCc1cnccc1[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000444604924 373212772 /nfs/dbraw/zinc/21/27/72/373212772.db2.gz CGJOWIOZQZKNIG-OAHLLOKOSA-N 1 3 275.440 3.171 20 0 CGADHO CC(C)CSCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297292003 373263546 /nfs/dbraw/zinc/26/35/46/373263546.db2.gz ANMBZSUQFHERAX-UHFFFAOYSA-N 1 3 293.480 3.029 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448056899 373543961 /nfs/dbraw/zinc/54/39/61/373543961.db2.gz SSSVQYSGLUYDHK-HUUCEWRRSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000449441887 373717744 /nfs/dbraw/zinc/71/77/44/373717744.db2.gz UTKQIRJHWSHZIR-ZWQIFLOQSA-N 1 3 284.447 3.285 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000070326616 541891918 /nfs/dbraw/zinc/89/19/18/541891918.db2.gz GRTIFBVPBYIWQK-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@H]1CCC[C@H](NCCC[N@H+](C)C2CCCCC2)C1 ZINC000070326616 541891923 /nfs/dbraw/zinc/89/19/23/541891923.db2.gz GRTIFBVPBYIWQK-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@H]1CCC[C@H](NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000070326616 541891925 /nfs/dbraw/zinc/89/19/25/541891925.db2.gz GRTIFBVPBYIWQK-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CCN(CCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000345189751 217442967 /nfs/dbraw/zinc/44/29/67/217442967.db2.gz MYZBUQIOXAGJLO-OAHLLOKOSA-N 1 3 296.842 3.183 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2c[nH]nc2C)CC1 ZINC000180789680 374047227 /nfs/dbraw/zinc/04/72/27/374047227.db2.gz IHCKWEGBJCYECF-UHFFFAOYSA-N 1 3 292.471 3.052 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1F ZINC000181375472 374114739 /nfs/dbraw/zinc/11/47/39/374114739.db2.gz PJBYIFWEWALINP-UKRRQHHQSA-N 1 3 264.388 3.269 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CC2=CCCCC2)C[C@@H]1C ZINC000450467784 374150921 /nfs/dbraw/zinc/15/09/21/374150921.db2.gz LYSXLGAQXMFJJA-GOEBONIOSA-N 1 3 250.430 3.291 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CC2=CCCCC2)C[C@@H]1C ZINC000450467784 374150924 /nfs/dbraw/zinc/15/09/24/374150924.db2.gz LYSXLGAQXMFJJA-GOEBONIOSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000309737231 374194735 /nfs/dbraw/zinc/19/47/35/374194735.db2.gz UTKQIRJHWSHZIR-KLIQENQMSA-N 1 3 284.447 3.285 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1Br ZINC000310121231 374208834 /nfs/dbraw/zinc/20/88/34/374208834.db2.gz ICTCWNMJXPZLTL-LLVKDONJSA-N 1 3 299.256 3.045 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)CN(C)C ZINC000310912821 374228142 /nfs/dbraw/zinc/22/81/42/374228142.db2.gz YLVHQTZCKMZLQU-IAQYHMDHSA-N 1 3 266.816 3.115 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000311425251 374240467 /nfs/dbraw/zinc/24/04/67/374240467.db2.gz PGABOCQNLGPYMK-CGZBRXJRSA-N 1 3 266.473 3.380 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@H]2CCCC[C@@H]2C)CC1 ZINC000183033231 374357692 /nfs/dbraw/zinc/35/76/92/374357692.db2.gz JTNLDFHQWITBRA-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CC/C=C\CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453329095 374424712 /nfs/dbraw/zinc/42/47/12/374424712.db2.gz UHZOOONAEICZFQ-XHPSBEMXSA-N 1 3 276.424 3.244 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186935608 374942053 /nfs/dbraw/zinc/94/20/53/374942053.db2.gz XUKLKSKVZIOKOW-INIZCTEOSA-N 1 3 278.465 3.412 20 0 CGADHO c1cnc2c(c1)cccc2CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334871114 375040061 /nfs/dbraw/zinc/04/00/61/375040061.db2.gz YBGMJRZLMIHYIF-FUHWJXTLSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1cc2ccccc2s1 ZINC000335028988 375080476 /nfs/dbraw/zinc/08/04/76/375080476.db2.gz KLSLRGJCQJUSOR-NSHDSACASA-N 1 3 260.406 3.304 20 0 CGADHO CC(CN1CC[C@H](C)[C@@H]1C)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000482896003 375172187 /nfs/dbraw/zinc/17/21/87/375172187.db2.gz TXLKWIQTGRWULM-VGWMRTNUSA-N 1 3 252.446 3.083 20 0 CGADHO CC(CN1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896003 375172192 /nfs/dbraw/zinc/17/21/92/375172192.db2.gz TXLKWIQTGRWULM-VGWMRTNUSA-N 1 3 252.446 3.083 20 0 CGADHO CC[N@H+](C)Cc1cccc(CNC/C=C/c2ccncc2)c1 ZINC000487303730 375223357 /nfs/dbraw/zinc/22/33/57/375223357.db2.gz LAFQIFJNNQSPAV-VMPITWQZSA-N 1 3 295.430 3.336 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CNC/C=C/c2ccncc2)c1 ZINC000487303730 375223363 /nfs/dbraw/zinc/22/33/63/375223363.db2.gz LAFQIFJNNQSPAV-VMPITWQZSA-N 1 3 295.430 3.336 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000190061607 375472596 /nfs/dbraw/zinc/47/25/96/375472596.db2.gz OAWWJJYJQKWVGH-SOUVJXGZSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928666 542030042 /nfs/dbraw/zinc/03/00/42/542030042.db2.gz SWLLRLQAXASWKW-RHSMWYFYSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928666 542030046 /nfs/dbraw/zinc/03/00/46/542030046.db2.gz SWLLRLQAXASWKW-RHSMWYFYSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000507483238 375707326 /nfs/dbraw/zinc/70/73/26/375707326.db2.gz RFEYMNXUFPPRKF-HOTGVXAUSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cnccc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192633878 375774127 /nfs/dbraw/zinc/77/41/27/375774127.db2.gz XMRFAEVLTMWTDY-HNNXBMFYSA-N 1 3 259.397 3.066 20 0 CGADHO Cc1cnccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192633878 375774132 /nfs/dbraw/zinc/77/41/32/375774132.db2.gz XMRFAEVLTMWTDY-HNNXBMFYSA-N 1 3 259.397 3.066 20 0 CGADHO CCCNc1ccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000193363906 375870127 /nfs/dbraw/zinc/87/01/27/375870127.db2.gz MDAKJRQMGYKNMI-MPGHIAIKSA-N 1 3 289.467 3.327 20 0 CGADHO CCCNc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363906 375870133 /nfs/dbraw/zinc/87/01/33/375870133.db2.gz MDAKJRQMGYKNMI-MPGHIAIKSA-N 1 3 289.467 3.327 20 0 CGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1cc(F)ccc1F ZINC000336791332 375941504 /nfs/dbraw/zinc/94/15/04/375941504.db2.gz NCHFAMLPCGOIFC-WDEREUQCSA-N 1 3 256.340 3.133 20 0 CGADHO Cc1ccc(C)n1C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336832808 375994304 /nfs/dbraw/zinc/99/43/04/375994304.db2.gz BHPFKSNLIUGVIN-QGZVFWFLSA-N 1 3 289.467 3.226 20 0 CGADHO Cc1ccc(C)n1C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336832808 375994307 /nfs/dbraw/zinc/99/43/07/375994307.db2.gz BHPFKSNLIUGVIN-QGZVFWFLSA-N 1 3 289.467 3.226 20 0 CGADHO C[NH+]1CCC(CN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000194987483 376068874 /nfs/dbraw/zinc/06/88/74/376068874.db2.gz UMAICDSHPNKRPQ-IBGZPJMESA-N 1 3 295.430 3.102 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000536853032 376137639 /nfs/dbraw/zinc/13/76/39/376137639.db2.gz TXKNUQNCJIKSSH-CZUORRHYSA-N 1 3 292.492 3.447 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2cc3c(s2)CCCC3)[C@H](C)C1 ZINC000536853032 376137645 /nfs/dbraw/zinc/13/76/45/376137645.db2.gz TXKNUQNCJIKSSH-CZUORRHYSA-N 1 3 292.492 3.447 20 0 CGADHO C[C@@H](c1ccccc1F)N1CCC(C[NH+](C)C)CC1 ZINC000350947379 296239623 /nfs/dbraw/zinc/23/96/23/296239623.db2.gz FSDWVPAUQWQNFF-ZDUSSCGKSA-N 1 3 264.388 3.160 20 0 CGADHO Cc1cc([C@@H]([NH2+]CC2=CCN(C)CC2)C2CC2)ccc1F ZINC000537305408 376162329 /nfs/dbraw/zinc/16/23/29/376162329.db2.gz RURIYMMHPKUBEF-SFHVURJKSA-N 1 3 288.410 3.437 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777972 376220713 /nfs/dbraw/zinc/22/07/13/376220713.db2.gz GGLIUTLUCSLARH-QRTARXTBSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777972 376220714 /nfs/dbraw/zinc/22/07/14/376220714.db2.gz GGLIUTLUCSLARH-QRTARXTBSA-N 1 3 276.424 3.219 20 0 CGADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000222264290 376232611 /nfs/dbraw/zinc/23/26/11/376232611.db2.gz UAXCSPUKPMZAEY-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226327162 376351585 /nfs/dbraw/zinc/35/15/85/376351585.db2.gz IUPFEISZYYIURW-STQMWFEESA-N 1 3 266.816 3.462 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000228287451 376432295 /nfs/dbraw/zinc/43/22/95/376432295.db2.gz OJMHYJDODHGVIT-LRDDRELGSA-N 1 3 272.392 3.443 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000228287451 376432297 /nfs/dbraw/zinc/43/22/97/376432297.db2.gz OJMHYJDODHGVIT-LRDDRELGSA-N 1 3 272.392 3.443 20 0 CGADHO Cc1cc(CN(C)[C@H]2CCC[NH2+]CC2)c2ccccc2n1 ZINC000231669479 376564994 /nfs/dbraw/zinc/56/49/94/376564994.db2.gz XMHYZICHEKMJPX-INIZCTEOSA-N 1 3 283.419 3.117 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709677 376887963 /nfs/dbraw/zinc/88/79/63/376887963.db2.gz FSBLQJZRGGVIOG-BLLLJJGKSA-N 1 3 282.378 3.127 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709677 376887972 /nfs/dbraw/zinc/88/79/72/376887972.db2.gz FSBLQJZRGGVIOG-BLLLJJGKSA-N 1 3 282.378 3.127 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000246024739 376954737 /nfs/dbraw/zinc/95/47/37/376954737.db2.gz WOWUGHGCRGNACZ-FXUDXRNXSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000340457392 377069194 /nfs/dbraw/zinc/06/91/94/377069194.db2.gz DQTXUCCXEZTNJS-KBPBESRZSA-N 1 3 282.403 3.026 20 0 CGADHO COc1cccc2c(CNC[C@H]3CCC[N@H+](C)C3)cccc12 ZINC000560114593 377123647 /nfs/dbraw/zinc/12/36/47/377123647.db2.gz NTJBPTJBKPURPH-OAHLLOKOSA-N 1 3 298.430 3.280 20 0 CGADHO COc1cccc2c(CNC[C@H]3CCC[N@@H+](C)C3)cccc12 ZINC000560114593 377123655 /nfs/dbraw/zinc/12/36/55/377123655.db2.gz NTJBPTJBKPURPH-OAHLLOKOSA-N 1 3 298.430 3.280 20 0 CGADHO C1=C[C@@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792667 377098593 /nfs/dbraw/zinc/09/85/93/377098593.db2.gz DXPYUMQOVATTKA-IAGOWNOFSA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@@H]([N@@H+]2CC[C@H](CN3CCCC3)C2)CCCCC1 ZINC000559792667 377098598 /nfs/dbraw/zinc/09/85/98/377098598.db2.gz DXPYUMQOVATTKA-IAGOWNOFSA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@@H]([N@H+]2CC[C@H](CN3CCCC3)C2)CCCCC1 ZINC000559792667 377098603 /nfs/dbraw/zinc/09/86/03/377098603.db2.gz DXPYUMQOVATTKA-IAGOWNOFSA-N 1 3 262.441 3.293 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000246841560 377101469 /nfs/dbraw/zinc/10/14/69/377101469.db2.gz BOXOVJHDLKZTBA-UXLLHSPISA-N 1 3 258.409 3.136 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000247073051 377154618 /nfs/dbraw/zinc/15/46/18/377154618.db2.gz OJEFQPPSRHQFSU-HZPDHXFCSA-N 1 3 274.452 3.284 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000247138982 377167587 /nfs/dbraw/zinc/16/75/87/377167587.db2.gz WCGYZLMVIVQTOH-QAPCUYQASA-N 1 3 272.436 3.384 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000247247434 377182546 /nfs/dbraw/zinc/18/25/46/377182546.db2.gz YAHMURIYJUZRTR-HLLBOEOZSA-N 1 3 290.451 3.212 20 0 CGADHO C1CC1C1([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000561847431 377246623 /nfs/dbraw/zinc/24/66/23/377246623.db2.gz LXVISFRLYQCIPP-UHFFFAOYSA-N 1 3 262.441 3.316 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247971843 377249857 /nfs/dbraw/zinc/24/98/57/377249857.db2.gz HLAPITKTVASMFV-ZWKOTPCHSA-N 1 3 272.436 3.381 20 0 CGADHO CC(C)[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247971843 377249862 /nfs/dbraw/zinc/24/98/62/377249862.db2.gz HLAPITKTVASMFV-ZWKOTPCHSA-N 1 3 272.436 3.381 20 0 CGADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000248181487 377276944 /nfs/dbraw/zinc/27/69/44/377276944.db2.gz WNFBBUMPZNBQTP-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000248181487 377276954 /nfs/dbraw/zinc/27/69/54/377276954.db2.gz WNFBBUMPZNBQTP-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)s1 ZINC000248181487 377276963 /nfs/dbraw/zinc/27/69/63/377276963.db2.gz WNFBBUMPZNBQTP-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)s1 ZINC000248181487 377276969 /nfs/dbraw/zinc/27/69/69/377276969.db2.gz WNFBBUMPZNBQTP-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000562956284 377378998 /nfs/dbraw/zinc/37/89/98/377378998.db2.gz MOIGAFVTRAZSEX-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO COCCC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000248544596 377343994 /nfs/dbraw/zinc/34/39/94/377343994.db2.gz DQXYBJSAVXWJQQ-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248992514 377439462 /nfs/dbraw/zinc/43/94/62/377439462.db2.gz NWVCKQVOJBVKJY-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO CCc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000249506703 377510605 /nfs/dbraw/zinc/51/06/05/377510605.db2.gz YONOIXFXBSVUEZ-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000249506703 377510612 /nfs/dbraw/zinc/51/06/12/377510612.db2.gz YONOIXFXBSVUEZ-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000249506703 377510618 /nfs/dbraw/zinc/51/06/18/377510618.db2.gz YONOIXFXBSVUEZ-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000249506703 377510624 /nfs/dbraw/zinc/51/06/24/377510624.db2.gz YONOIXFXBSVUEZ-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2ccsc2Cl)C1 ZINC000312750712 249083072 /nfs/dbraw/zinc/08/30/72/249083072.db2.gz VXVSIFXOMGSUBY-GXSJLCMTSA-N 1 3 258.818 3.009 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422906819 249126918 /nfs/dbraw/zinc/12/69/18/249126918.db2.gz VUMSSLTZHJXJCY-WBVHZDCISA-N 1 3 272.436 3.134 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+]C[C@]2(C)CCCNC2)C1 ZINC000573693707 377563040 /nfs/dbraw/zinc/56/30/40/377563040.db2.gz BVPRJRKKFQUMSZ-GDBMZVCRSA-N 1 3 252.446 3.182 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250605689 377563571 /nfs/dbraw/zinc/56/35/71/377563571.db2.gz LEGGIUXQRSYDTC-OCCSQVGLSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250605689 377563575 /nfs/dbraw/zinc/56/35/75/377563575.db2.gz LEGGIUXQRSYDTC-OCCSQVGLSA-N 1 3 264.438 3.057 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251136371 377574032 /nfs/dbraw/zinc/57/40/32/377574032.db2.gz ZJQMBUVCHMEUPS-DUVNUKRYSA-N 1 3 264.388 3.336 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000514760690 249187766 /nfs/dbraw/zinc/18/77/66/249187766.db2.gz UADKSNGBFLYBKR-UAGQMJEPSA-N 1 3 264.457 3.300 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650827 249240675 /nfs/dbraw/zinc/24/06/75/249240675.db2.gz VAXBMQFJONVVSI-AEFFLSMTSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650827 249240677 /nfs/dbraw/zinc/24/06/77/249240677.db2.gz VAXBMQFJONVVSI-AEFFLSMTSA-N 1 3 274.452 3.358 20 0 CGADHO C[NH2+]C[C@H]1CCCN(C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650827 249240680 /nfs/dbraw/zinc/24/06/80/249240680.db2.gz VAXBMQFJONVVSI-AEFFLSMTSA-N 1 3 274.452 3.358 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516760000 249243124 /nfs/dbraw/zinc/24/31/24/249243124.db2.gz ISLSGFPHEPGGTF-SCLBCKFNSA-N 1 3 281.403 3.137 20 0 CGADHO CCC1CC(NCCC[N@H+](C)C2CCCCC2)C1 ZINC000515680916 249219122 /nfs/dbraw/zinc/21/91/22/249219122.db2.gz TZNMTZHODOGPAS-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO CCC1CC(NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000515680916 249219124 /nfs/dbraw/zinc/21/91/24/249219124.db2.gz TZNMTZHODOGPAS-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccc3ccccc3c2)C1 ZINC000517041291 249256144 /nfs/dbraw/zinc/25/61/44/249256144.db2.gz LUTDBLQYKAXUJT-IRXDYDNUSA-N 1 3 284.403 3.078 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251843629 377599809 /nfs/dbraw/zinc/59/98/09/377599809.db2.gz LVQQKPHZPJNHNB-VGWMRTNUSA-N 1 3 252.446 3.418 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000180751093 542214351 /nfs/dbraw/zinc/21/43/51/542214351.db2.gz DXBYOSXHOGQKEH-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000180751093 542214354 /nfs/dbraw/zinc/21/43/54/542214354.db2.gz DXBYOSXHOGQKEH-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000180751093 542214359 /nfs/dbraw/zinc/21/43/59/542214359.db2.gz DXBYOSXHOGQKEH-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000180751093 542214363 /nfs/dbraw/zinc/21/43/63/542214363.db2.gz DXBYOSXHOGQKEH-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2sccc21 ZINC000252711467 377655005 /nfs/dbraw/zinc/65/50/05/377655005.db2.gz JPVALISJLUJRDR-BNOWGMLFSA-N 1 3 264.438 3.055 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2sccc21 ZINC000252711467 377655014 /nfs/dbraw/zinc/65/50/14/377655014.db2.gz JPVALISJLUJRDR-BNOWGMLFSA-N 1 3 264.438 3.055 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354742 377684715 /nfs/dbraw/zinc/68/47/15/377684715.db2.gz IBHXBZCTPRWSIJ-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354742 377684725 /nfs/dbraw/zinc/68/47/25/377684725.db2.gz IBHXBZCTPRWSIJ-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H](C)c2ccccc2)C1 ZINC000253354742 377684735 /nfs/dbraw/zinc/68/47/35/377684735.db2.gz IBHXBZCTPRWSIJ-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H](C)c2ccccc2)C1 ZINC000253354742 377684743 /nfs/dbraw/zinc/68/47/43/377684743.db2.gz IBHXBZCTPRWSIJ-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)c1nccs1 ZINC000261575257 377820904 /nfs/dbraw/zinc/82/09/04/377820904.db2.gz YWFYMCJBLNWPKN-MJBXVCDLSA-N 1 3 281.469 3.147 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261701377 377841608 /nfs/dbraw/zinc/84/16/08/377841608.db2.gz ILVCRJZBHSOYKE-BXUZGUMPSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@](C)(CN)C1 ZINC000261701377 377841621 /nfs/dbraw/zinc/84/16/21/377841621.db2.gz ILVCRJZBHSOYKE-BXUZGUMPSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)(CN)C1 ZINC000261701377 377841628 /nfs/dbraw/zinc/84/16/28/377841628.db2.gz ILVCRJZBHSOYKE-BXUZGUMPSA-N 1 3 286.341 3.437 20 0 CGADHO CC(C)[C@@H](c1ccccc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261971080 377873619 /nfs/dbraw/zinc/87/36/19/377873619.db2.gz IGUKBIXNGSSHBW-IRXDYDNUSA-N 1 3 260.425 3.315 20 0 CGADHO CC[C@H](c1ccccc1)N(CC)C[C@@]1(C)CC[NH2+]C1 ZINC000261995793 377878215 /nfs/dbraw/zinc/87/82/15/377878215.db2.gz KSMSPKLZROGWMM-SJORKVTESA-N 1 3 260.425 3.459 20 0 CGADHO C[C@@]1(CN2CCC(Cc3ccccc3F)CC2)CC[NH2+]C1 ZINC000262068723 377884167 /nfs/dbraw/zinc/88/41/67/377884167.db2.gz RVVBJWIEKWTGMZ-GOSISDBHSA-N 1 3 290.426 3.080 20 0 CGADHO COc1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000262324967 377893535 /nfs/dbraw/zinc/89/35/35/377893535.db2.gz RNRYCAIXAKKRFO-LSDHHAIUSA-N 1 3 298.430 3.408 20 0 CGADHO CC(C)([NH3+])CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000261714462 377844959 /nfs/dbraw/zinc/84/49/59/377844959.db2.gz JCJFDZJFYBGVFM-MUJYYYPQSA-N 1 3 258.409 3.134 20 0 CGADHO C[C@H](CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1cccc(Cl)c1 ZINC000261807633 377854830 /nfs/dbraw/zinc/85/48/30/377854830.db2.gz HMQCNRZWODXALF-SHPPOPEUSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCOc2ccc3ccccc3c2)C1 ZINC000261819691 377857005 /nfs/dbraw/zinc/85/70/05/377857005.db2.gz APQDTDZCBDUCFY-CRAIPNDOSA-N 1 3 298.430 3.278 20 0 CGADHO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC000262575048 377901835 /nfs/dbraw/zinc/90/18/35/377901835.db2.gz XZTMBVQWDNDDOX-WBAXXEDZSA-N 1 3 296.414 3.018 20 0 CGADHO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944462 378115039 /nfs/dbraw/zinc/11/50/39/378115039.db2.gz CSQPQOXAJMRQFC-UONOGXRCSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944462 378115049 /nfs/dbraw/zinc/11/50/49/378115049.db2.gz CSQPQOXAJMRQFC-UONOGXRCSA-N 1 3 281.403 3.002 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)CN1CCCC1 ZINC000268872761 378137642 /nfs/dbraw/zinc/13/76/42/378137642.db2.gz PNHKPQNTJBTFEE-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)[C@@H](C)OC)c1 ZINC000268757692 378104616 /nfs/dbraw/zinc/10/46/16/378104616.db2.gz FUJMTMZTSAGCJW-LSDHHAIUSA-N 1 3 278.440 3.041 20 0 CGADHO CCN(Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000345212420 378224644 /nfs/dbraw/zinc/22/46/44/378224644.db2.gz VCCAFHLZEBUKAF-GOSISDBHSA-N 1 3 272.436 3.139 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000582311290 378303006 /nfs/dbraw/zinc/30/30/06/378303006.db2.gz ILQZGKSERVYKOC-HSMVNMDESA-N 1 3 280.362 3.202 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Cl ZINC000583823356 378350036 /nfs/dbraw/zinc/35/00/36/378350036.db2.gz USOAHVOXRVWINE-HZSPNIEDSA-N 1 3 296.842 3.357 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1C ZINC000584080670 378373162 /nfs/dbraw/zinc/37/31/62/378373162.db2.gz NBQRGBUOFFSWFI-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1C ZINC000584080670 378373169 /nfs/dbraw/zinc/37/31/69/378373169.db2.gz NBQRGBUOFFSWFI-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000584080670 378373175 /nfs/dbraw/zinc/37/31/75/378373175.db2.gz NBQRGBUOFFSWFI-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000584080670 378373182 /nfs/dbraw/zinc/37/31/82/378373182.db2.gz NBQRGBUOFFSWFI-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO CSCc1cc(F)ccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565609880 322083933 /nfs/dbraw/zinc/08/39/33/322083933.db2.gz SGNJRZQKVRRJRX-HUUCEWRRSA-N 1 3 282.428 3.048 20 0 CGADHO CCc1ccc([C@H](CNc2cc[nH+]cc2C)N(C)C)cc1 ZINC000346121894 378469900 /nfs/dbraw/zinc/46/99/00/378469900.db2.gz MLSXIYQZSZUBFE-SFHVURJKSA-N 1 3 283.419 3.089 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000271912252 378515367 /nfs/dbraw/zinc/51/53/67/378515367.db2.gz YCTJJKJFWRKREW-ROUUACIJSA-N 1 3 288.410 3.313 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000271917293 378516552 /nfs/dbraw/zinc/51/65/52/378516552.db2.gz ZEXHXOYBNMLAJV-AWEZNQCLSA-N 1 3 270.420 3.088 20 0 CGADHO CC(CN(C(C)C)C1CC1)C[N@H+](C(C)C)C1CC1 ZINC000346422405 378574100 /nfs/dbraw/zinc/57/41/00/378574100.db2.gz IZJDWTDRSCVKAZ-UHFFFAOYSA-N 1 3 252.446 3.368 20 0 CGADHO CC(CN(C(C)C)C1CC1)C[N@@H+](C(C)C)C1CC1 ZINC000346422405 378574105 /nfs/dbraw/zinc/57/41/05/378574105.db2.gz IZJDWTDRSCVKAZ-UHFFFAOYSA-N 1 3 252.446 3.368 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000346577669 378630898 /nfs/dbraw/zinc/63/08/98/378630898.db2.gz RBIWUQMXEGRHBI-XJKSGUPXSA-N 1 3 276.424 3.076 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CCCO2)c1 ZINC000346484263 378591849 /nfs/dbraw/zinc/59/18/49/378591849.db2.gz MVRVXEHGNYNWCO-YJBOKZPZSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CCCO2)c1 ZINC000346484263 378591858 /nfs/dbraw/zinc/59/18/58/378591858.db2.gz MVRVXEHGNYNWCO-YJBOKZPZSA-N 1 3 290.451 3.184 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000346629593 378653481 /nfs/dbraw/zinc/65/34/81/378653481.db2.gz BHBVCUKDOPGDRP-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272605899 378675185 /nfs/dbraw/zinc/67/51/85/378675185.db2.gz ZEQUHLRPTDKMHW-SJLPKXTDSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272605899 378675189 /nfs/dbraw/zinc/67/51/89/378675189.db2.gz ZEQUHLRPTDKMHW-SJLPKXTDSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272605899 378675193 /nfs/dbraw/zinc/67/51/93/378675193.db2.gz ZEQUHLRPTDKMHW-SJLPKXTDSA-N 1 3 272.436 3.453 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346848499 378694407 /nfs/dbraw/zinc/69/44/07/378694407.db2.gz DVNYGEJDBYVRJA-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346848499 378694411 /nfs/dbraw/zinc/69/44/11/378694411.db2.gz DVNYGEJDBYVRJA-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO C([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638456012 378810001 /nfs/dbraw/zinc/81/00/01/378810001.db2.gz ZWTCUCGLISOOIK-BJWYYQGGSA-N 1 3 276.468 3.277 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc4cc(F)ccc4o3)C[C@H]21 ZINC000346837519 218029739 /nfs/dbraw/zinc/02/97/39/218029739.db2.gz WEJRWLBRCKKFED-IUIKQTSFSA-N 1 3 288.366 3.131 20 0 CGADHO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346858593 218040057 /nfs/dbraw/zinc/04/00/57/218040057.db2.gz XQSYXTRJJOIBTB-INIZCTEOSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)(C)[N@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346858593 218040058 /nfs/dbraw/zinc/04/00/58/218040058.db2.gz XQSYXTRJJOIBTB-INIZCTEOSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)(C)N(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346858593 218040059 /nfs/dbraw/zinc/04/00/59/218040059.db2.gz XQSYXTRJJOIBTB-INIZCTEOSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299942 378894006 /nfs/dbraw/zinc/89/40/06/378894006.db2.gz HEBQGBHCWXNVFF-OJLVUWQFSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299942 378894010 /nfs/dbraw/zinc/89/40/10/378894010.db2.gz HEBQGBHCWXNVFF-OJLVUWQFSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004651 218088841 /nfs/dbraw/zinc/08/88/41/218088841.db2.gz AIVBGFXYYVYJLS-DNVCBOLYSA-N 1 3 295.430 3.308 20 0 CGADHO Fc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000278551993 194039537 /nfs/dbraw/zinc/03/95/37/194039537.db2.gz ZIMFFSUKKSVLIZ-UHFFFAOYSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@H]([NH2+]CC1CCSCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000638970668 378961088 /nfs/dbraw/zinc/96/10/88/378961088.db2.gz MSKFMHXSWXKJKP-HOCLYGCPSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300141281 296285353 /nfs/dbraw/zinc/28/53/53/296285353.db2.gz RLWCQXKPXVKLEP-KBXIAJHMSA-N 1 3 250.430 3.028 20 0 CGADHO Cc1cc(N[C@H]2CCN(C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000278768545 194146911 /nfs/dbraw/zinc/14/69/11/194146911.db2.gz OEEMQQRCXHLAJN-IRXDYDNUSA-N 1 3 267.376 3.247 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(F)cc1C ZINC000349384461 379260389 /nfs/dbraw/zinc/26/03/89/379260389.db2.gz OWOXFYQEXJGMLQ-UHFFFAOYSA-N 1 3 278.415 3.442 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(F)cc1C ZINC000349384461 379260397 /nfs/dbraw/zinc/26/03/97/379260397.db2.gz OWOXFYQEXJGMLQ-UHFFFAOYSA-N 1 3 278.415 3.442 20 0 CGADHO C[C@]1(CN2CCC(C)([NH+]3CCCC3)CC2)CCCS1 ZINC000639375059 379330761 /nfs/dbraw/zinc/33/07/61/379330761.db2.gz PVQHGMTXIRWPFH-MRXNPFEDSA-N 1 3 282.497 3.222 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CCC12CCOCC2)C(C)C ZINC000374379136 379431510 /nfs/dbraw/zinc/43/15/10/379431510.db2.gz UZYOZKWLKXIPNJ-MRXNPFEDSA-N 1 3 282.472 3.044 20 0 CGADHO CCc1ccc(CN2CCC(C[NH+](CC)CC)CC2)cn1 ZINC000347657104 218310298 /nfs/dbraw/zinc/31/02/98/218310298.db2.gz UTGSDRMHATVAQF-UHFFFAOYSA-N 1 3 289.467 3.198 20 0 CGADHO C[C@@H](c1ccc(F)cc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757083 379570001 /nfs/dbraw/zinc/57/00/01/379570001.db2.gz DHEOZKLEKXJSEB-ZDUSSCGKSA-N 1 3 294.389 3.444 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000347751889 218346154 /nfs/dbraw/zinc/34/61/54/218346154.db2.gz QJPPXVGMFFAVQU-UHFFFAOYSA-N 1 3 288.435 3.001 20 0 CGADHO CCCC1CCC([NH2+]CC2=CCN(C)CC2)CC1 ZINC000392260529 379910428 /nfs/dbraw/zinc/91/04/28/379910428.db2.gz CXPOFBPHQKMCKF-UHFFFAOYSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(F)ccc1F ZINC000401023226 379955449 /nfs/dbraw/zinc/95/54/49/379955449.db2.gz LZOOWYLFZPECPF-FMCLSXCISA-N 1 3 280.362 3.004 20 0 CGADHO CN(CCCO)C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000347853029 218377531 /nfs/dbraw/zinc/37/75/31/218377531.db2.gz BFWJHKQWJVMBJJ-UHFFFAOYSA-N 1 3 296.499 3.126 20 0 CGADHO CN(CCCCC1CCOCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000410393084 380092571 /nfs/dbraw/zinc/09/25/71/380092571.db2.gz SORXRYGRALMYED-SFHVURJKSA-N 1 3 296.499 3.390 20 0 CGADHO CN(CCCCC1CCOCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000410393084 380092575 /nfs/dbraw/zinc/09/25/75/380092575.db2.gz SORXRYGRALMYED-SFHVURJKSA-N 1 3 296.499 3.390 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000410391867 380093582 /nfs/dbraw/zinc/09/35/82/380093582.db2.gz NFIGOXWHLBHOQF-WBVHZDCISA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000410391867 380093587 /nfs/dbraw/zinc/09/35/87/380093587.db2.gz NFIGOXWHLBHOQF-WBVHZDCISA-N 1 3 266.473 3.332 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000283914403 380105556 /nfs/dbraw/zinc/10/55/56/380105556.db2.gz AIUJLNMQJIATPS-SFHVURJKSA-N 1 3 270.420 3.260 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000283914403 380105559 /nfs/dbraw/zinc/10/55/59/380105559.db2.gz AIUJLNMQJIATPS-SFHVURJKSA-N 1 3 270.420 3.260 20 0 CGADHO CSC1(CNCc2ccccc2Cl)CC[NH+](C)CC1 ZINC000353223243 380175356 /nfs/dbraw/zinc/17/53/56/380175356.db2.gz RXLJSXCNTYGPIM-UHFFFAOYSA-N 1 3 298.883 3.257 20 0 CGADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000643056235 380208914 /nfs/dbraw/zinc/20/89/14/380208914.db2.gz PGMPPSYEMUASHT-NSHDSACASA-N 1 3 287.234 3.425 20 0 CGADHO COCCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000643521726 380337494 /nfs/dbraw/zinc/33/74/94/380337494.db2.gz ABYBRSGXKLCFQP-IAGOWNOFSA-N 1 3 294.414 3.025 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000643463531 380311496 /nfs/dbraw/zinc/31/14/96/380311496.db2.gz BGOVVBDHBLUHMX-GDBMZVCRSA-N 1 3 260.425 3.071 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643548366 380363478 /nfs/dbraw/zinc/36/34/78/380363478.db2.gz OKPOAQPMCWHFTH-BZUAXINKSA-N 1 3 264.457 3.466 20 0 CGADHO Fc1cccc(Cl)c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771763 380397163 /nfs/dbraw/zinc/39/71/63/380397163.db2.gz AMRHQRGEAKPIOL-CHWSQXEVSA-N 1 3 296.817 3.301 20 0 CGADHO C[C@@H]1C[C@@H](CN2CC[C@@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768399 380397196 /nfs/dbraw/zinc/39/71/96/380397196.db2.gz UYSWIXODGVYJKI-KEYYUXOJSA-N 1 3 294.389 3.084 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000643523838 380339078 /nfs/dbraw/zinc/33/90/78/380339078.db2.gz AAJMSUKXLGLHNE-IACUBPJLSA-N 1 3 250.361 3.055 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](CC2CC2)c2ccccc2)C1 ZINC000643523925 380340861 /nfs/dbraw/zinc/34/08/61/380340861.db2.gz OFTJCKCJZYPKGH-ZACQAIPSSA-N 1 3 258.409 3.387 20 0 CGADHO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526313 380343265 /nfs/dbraw/zinc/34/32/65/380343265.db2.gz ZACOQCCVHDKHHF-ZIAGYGMSSA-N 1 3 264.413 3.253 20 0 CGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)N ZINC000643528313 380344776 /nfs/dbraw/zinc/34/47/76/380344776.db2.gz GYOMUJSUJDYYQX-NXEZZACHSA-N 1 3 293.411 3.255 20 0 CGADHO CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643533697 380348181 /nfs/dbraw/zinc/34/81/81/380348181.db2.gz BUOJEJLIGFZFFP-CABCVRRESA-N 1 3 280.362 3.148 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000643534371 380349835 /nfs/dbraw/zinc/34/98/35/380349835.db2.gz SKXJZRNOXDRUFG-SMDDNHRTSA-N 1 3 296.361 3.081 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1nccc2ccccc21 ZINC000643536287 380352366 /nfs/dbraw/zinc/35/23/66/380352366.db2.gz PZVWQAMIKQTDGD-BBRMVZONSA-N 1 3 281.403 3.028 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000643536307 380352843 /nfs/dbraw/zinc/35/28/43/380352843.db2.gz SRKKHUFIJREUMU-SUMWQHHRSA-N 1 3 281.403 3.028 20 0 CGADHO CN(C[C@@H]1C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414657295 380354033 /nfs/dbraw/zinc/35/40/33/380354033.db2.gz OFNMUDPAEUITJQ-AQDBYXPISA-N 1 3 270.420 3.005 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)s1 ZINC000643546300 380359141 /nfs/dbraw/zinc/35/91/41/380359141.db2.gz MAGJGELSLFDYIT-QWHCGFSZSA-N 1 3 264.438 3.382 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(-c2ccncc2)c1 ZINC000414813670 380424140 /nfs/dbraw/zinc/42/41/40/380424140.db2.gz YPDSRDMZGSYSEN-RBUKOAKNSA-N 1 3 295.430 3.356 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000414813551 380424253 /nfs/dbraw/zinc/42/42/53/380424253.db2.gz UAASDBPBHNEXET-CVEARBPZSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414824129 380434460 /nfs/dbraw/zinc/43/44/60/380434460.db2.gz QBKJMDZMAUUODD-CQDKDKBSSA-N 1 3 266.816 3.303 20 0 CGADHO Clc1ccc(CNCC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414834804 380442192 /nfs/dbraw/zinc/44/21/92/380442192.db2.gz QWDAKLLUHXHDEC-JTQLQIEISA-N 1 3 273.207 3.083 20 0 CGADHO Clc1cccc(CNCC[C@H]2CCC[NH2+]C2)c1Cl ZINC000414850762 380453623 /nfs/dbraw/zinc/45/36/23/380453623.db2.gz NEGOCWQECDLQTA-LLVKDONJSA-N 1 3 287.234 3.473 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000414793149 380408873 /nfs/dbraw/zinc/40/88/73/380408873.db2.gz DHFQRFOUFQVBDC-BXUZGUMPSA-N 1 3 270.779 3.086 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000414795356 380410893 /nfs/dbraw/zinc/41/08/93/380410893.db2.gz GTTZREKFDABLKF-KGLIPLIRSA-N 1 3 268.351 3.231 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C2CC2)cc1 ZINC000414800848 380412853 /nfs/dbraw/zinc/41/28/53/380412853.db2.gz LMOWTDUELNJRDD-DLBZAZTESA-N 1 3 258.409 3.171 20 0 CGADHO Cc1nc(C)c(CNCc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000414802129 380414769 /nfs/dbraw/zinc/41/47/69/380414769.db2.gz BDQQDNKJMSPOQF-SNVBAGLBSA-N 1 3 275.421 3.069 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414803776 380415628 /nfs/dbraw/zinc/41/56/28/380415628.db2.gz WUJRHMBQBJMVRS-RISCZKNCSA-N 1 3 288.357 3.209 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414803950 380416809 /nfs/dbraw/zinc/41/68/09/380416809.db2.gz DKCKMIQGZRVSEB-LBPRGKRZSA-N 1 3 268.832 3.378 20 0 CGADHO CCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414806267 380417661 /nfs/dbraw/zinc/41/76/61/380417661.db2.gz HNIIWXDIIKTWOP-AWEZNQCLSA-N 1 3 284.403 3.395 20 0 CGADHO Cc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc2cccnc12 ZINC000414808661 380419972 /nfs/dbraw/zinc/41/99/72/380419972.db2.gz SLCGFKKJWQFMNY-SJORKVTESA-N 1 3 283.419 3.150 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414811345 380422658 /nfs/dbraw/zinc/42/26/58/380422658.db2.gz ZKIBTMHULMOMKE-TZMCWYRMSA-N 1 3 266.816 3.303 20 0 CGADHO CC(C)COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414933414 380495778 /nfs/dbraw/zinc/49/57/78/380495778.db2.gz WWDCXBXGEQBUBO-HZPDHXFCSA-N 1 3 276.424 3.081 20 0 CGADHO Cc1cc(C)cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415040582 380505437 /nfs/dbraw/zinc/50/54/37/380505437.db2.gz KGQQIHGDVZIGAT-ROUUACIJSA-N 1 3 272.436 3.267 20 0 CGADHO CNCCC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414858746 380459381 /nfs/dbraw/zinc/45/93/81/380459381.db2.gz LBDDPLMNNSHBPZ-UHFFFAOYSA-N 1 3 288.357 3.227 20 0 CGADHO CNCCC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000414860755 380461393 /nfs/dbraw/zinc/46/13/93/380461393.db2.gz QMXAGMRUXKNFIF-BHYGNILZSA-N 1 3 260.425 3.158 20 0 CGADHO C[NH2+]CCCN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000414860755 380461399 /nfs/dbraw/zinc/46/13/99/380461399.db2.gz QMXAGMRUXKNFIF-BHYGNILZSA-N 1 3 260.425 3.158 20 0 CGADHO CNCCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414861658 380462229 /nfs/dbraw/zinc/46/22/29/380462229.db2.gz SRKSWBMNXWXEAB-DLBZAZTESA-N 1 3 260.425 3.302 20 0 CGADHO C[C@H](CCN)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414896966 380478474 /nfs/dbraw/zinc/47/84/74/380478474.db2.gz QILBUCFHPCPNKO-HPUBIQBYSA-N 1 3 260.425 3.287 20 0 CGADHO N[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000414898403 380480575 /nfs/dbraw/zinc/48/05/75/380480575.db2.gz SZHVEDODUHLKSH-HNNXBMFYSA-N 1 3 290.407 3.381 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3ccccc3c2)C1 ZINC000414907589 380483205 /nfs/dbraw/zinc/48/32/05/380483205.db2.gz AOYFIZJZWSMUHH-SJORKVTESA-N 1 3 254.377 3.199 20 0 CGADHO C[C@@H](C[NH+]1CCC(OCCN(C)C)CC1)C1CCCCC1 ZINC000645087832 380575280 /nfs/dbraw/zinc/57/52/80/380575280.db2.gz RKZFVONZVWNEAP-INIZCTEOSA-N 1 3 296.499 3.245 20 0 CGADHO Cc1ncc([C@@H](C)NCCCCC[NH+]2CCCC2)s1 ZINC000645493831 380691578 /nfs/dbraw/zinc/69/15/78/380691578.db2.gz FTVAXMGQJNJSTC-CYBMUJFWSA-N 1 3 281.469 3.368 20 0 CGADHO c1cnc2ccc(C[NH2+]C3CC(N4CCCCC4)C3)cc2c1 ZINC000355602889 380723993 /nfs/dbraw/zinc/72/39/93/380723993.db2.gz WFYOWEJZHHRZNI-UHFFFAOYSA-N 1 3 295.430 3.341 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1c(F)cccc1F)C2 ZINC000645911352 380773170 /nfs/dbraw/zinc/77/31/70/380773170.db2.gz LYYVAAHZQJVEOM-PBWFPOADSA-N 1 3 294.389 3.064 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1c(F)cccc1F)C2 ZINC000645911352 380773172 /nfs/dbraw/zinc/77/31/72/380773172.db2.gz LYYVAAHZQJVEOM-PBWFPOADSA-N 1 3 294.389 3.064 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CCC[C@@H]([NH2+]C)C1 ZINC000420152505 380840808 /nfs/dbraw/zinc/84/08/08/380840808.db2.gz DYZIFJBZDGYCEP-CQSZACIVSA-N 1 3 283.419 3.294 20 0 CGADHO c1csc([C@@H]2CCCCN2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420310818 380847833 /nfs/dbraw/zinc/84/78/33/380847833.db2.gz GGIYZPORHYTZBW-KGLIPLIRSA-N 1 3 279.453 3.060 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000356898358 380927800 /nfs/dbraw/zinc/92/78/00/380927800.db2.gz MYMJGYBYJCDTEZ-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@H]3CCNCC3(C)C)ccc2n1 ZINC000334844203 207174838 /nfs/dbraw/zinc/17/48/38/207174838.db2.gz UWPOIYBUHGTBHR-KRWDZBQOSA-N 1 3 283.419 3.021 20 0 CGADHO FCCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361530796 381788274 /nfs/dbraw/zinc/78/82/74/381788274.db2.gz LLFXMQMGVPXGCI-GOSISDBHSA-N 1 3 290.426 3.334 20 0 CGADHO FCCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361530796 381788278 /nfs/dbraw/zinc/78/82/78/381788278.db2.gz LLFXMQMGVPXGCI-GOSISDBHSA-N 1 3 290.426 3.334 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362917940 382146231 /nfs/dbraw/zinc/14/62/31/382146231.db2.gz LYBGKCBWLLTKOD-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000251001209 542345358 /nfs/dbraw/zinc/34/53/58/542345358.db2.gz KXPCYPYCKBTFKC-QZTJIDSGSA-N 1 3 272.436 3.267 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000289300034 197289565 /nfs/dbraw/zinc/28/95/65/197289565.db2.gz RYOQBIOMNFVGKM-CPUCHLNUSA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000289300034 197289566 /nfs/dbraw/zinc/28/95/66/197289566.db2.gz RYOQBIOMNFVGKM-CPUCHLNUSA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000289300034 197289568 /nfs/dbraw/zinc/28/95/68/197289568.db2.gz RYOQBIOMNFVGKM-CPUCHLNUSA-N 1 3 258.409 3.166 20 0 CGADHO CCc1cc(NC[C@H](c2cccc(OC)c2)N(C)C)cc[nH+]1 ZINC000307769291 542422750 /nfs/dbraw/zinc/42/27/50/542422750.db2.gz KTUPWTITTPGORM-GOSISDBHSA-N 1 3 299.418 3.367 20 0 CGADHO C[C@@H](NCC(C)(C)[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423286272 533351479 /nfs/dbraw/zinc/35/14/79/533351479.db2.gz GJJJTRJFGAAQQR-GHMZBOCLSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@@H]([NH2+]CCCNC1CC1)c1cc2c(s1)CCCC2 ZINC000423523735 533385423 /nfs/dbraw/zinc/38/54/23/533385423.db2.gz IMFLFGHMXJZHIX-GFCCVEGCSA-N 1 3 278.465 3.420 20 0 CGADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(O)c1 ZINC000423293399 533448814 /nfs/dbraw/zinc/44/88/14/533448814.db2.gz RGCFGCIMWRKILJ-QWHCGFSZSA-N 1 3 270.376 3.263 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)c(Cl)c1 ZINC000424335901 533519997 /nfs/dbraw/zinc/51/99/97/533519997.db2.gz PQSLSEFZINJBSV-OWYVNGRQSA-N 1 3 270.779 3.400 20 0 CGADHO C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)[C@H](C)N ZINC000423454950 533538026 /nfs/dbraw/zinc/53/80/26/533538026.db2.gz ZRWUNHKSWCEENS-RBZYPMLTSA-N 1 3 252.789 3.116 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000414926642 542640769 /nfs/dbraw/zinc/64/07/69/542640769.db2.gz NQKCKJPIXWDKBL-LTIDMASMSA-N 1 3 276.399 3.321 20 0 CGADHO c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294121274 285455546 /nfs/dbraw/zinc/45/55/46/285455546.db2.gz DSSWUQIJJJAQLE-KRWDZBQOSA-N 1 3 297.402 3.311 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000361763652 392316974 /nfs/dbraw/zinc/31/69/74/392316974.db2.gz ISJLISRUANYDNM-KMFMINBZSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC)c1 ZINC000361763652 392316978 /nfs/dbraw/zinc/31/69/78/392316978.db2.gz ISJLISRUANYDNM-KMFMINBZSA-N 1 3 276.424 3.219 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000249384308 131120684 /nfs/dbraw/zinc/12/06/84/131120684.db2.gz XCLDRHAMHUKFBP-CHWSQXEVSA-N 1 3 266.816 3.332 20 0 CGADHO CC(C)CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297768823 392570101 /nfs/dbraw/zinc/57/01/01/392570101.db2.gz VLSVUIURTCCRPO-UHFFFAOYSA-N 1 3 287.451 3.466 20 0 CGADHO Fc1cccc(C2(NC3CC[NH+](C4CC4)CC3)CCC2)c1 ZINC000647329142 392673269 /nfs/dbraw/zinc/67/32/69/392673269.db2.gz HSTXACABDIBAHQ-UHFFFAOYSA-N 1 3 288.410 3.421 20 0 CGADHO CC(C)C[C@@H]([NH2+]CCCN1CCCC1)c1ccncc1 ZINC000647281313 392632926 /nfs/dbraw/zinc/63/29/26/392632926.db2.gz HPFCQUPRTHVFGJ-QGZVFWFLSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CC(C)(C)c2ccccc2)C1 ZINC000647496574 392740332 /nfs/dbraw/zinc/74/03/32/392740332.db2.gz YZYYTCZRDSXNCX-LSDHHAIUSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496574 392740340 /nfs/dbraw/zinc/74/03/40/392740340.db2.gz YZYYTCZRDSXNCX-LSDHHAIUSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496574 392740353 /nfs/dbraw/zinc/74/03/53/392740353.db2.gz YZYYTCZRDSXNCX-LSDHHAIUSA-N 1 3 260.425 3.023 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000182376432 392744509 /nfs/dbraw/zinc/74/45/09/392744509.db2.gz SEJLIUBJAMVQGT-ACJLOTCBSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000182376432 392744512 /nfs/dbraw/zinc/74/45/12/392744512.db2.gz SEJLIUBJAMVQGT-ACJLOTCBSA-N 1 3 288.410 3.277 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3cccnc32)[C@H]2CCC[C@H]21 ZINC000375894820 392837014 /nfs/dbraw/zinc/83/70/14/392837014.db2.gz GTOSTRXZCUESRH-FGTMMUONSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3cccnc32)[C@H]2CCC[C@H]21 ZINC000375894820 392837019 /nfs/dbraw/zinc/83/70/19/392837019.db2.gz GTOSTRXZCUESRH-FGTMMUONSA-N 1 3 295.430 3.197 20 0 CGADHO C[C@H](CCCC[NH3+])NC1(c2ccccc2Cl)CC1 ZINC000647800477 392801466 /nfs/dbraw/zinc/80/14/66/392801466.db2.gz BVHDWMMZNOIBGG-GFCCVEGCSA-N 1 3 266.816 3.436 20 0 CGADHO CC[C@@H]1CCC[C@@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571532 392938477 /nfs/dbraw/zinc/93/84/77/392938477.db2.gz PEXWXWJZSBZFJA-DNLWUEFJSA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@H+](C)[C@@H]2CCCNCC2)C1 ZINC000394551600 392938543 /nfs/dbraw/zinc/93/85/43/392938543.db2.gz ZKFZSTOYEVKDDF-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCCNCC2)C1 ZINC000394551600 392938546 /nfs/dbraw/zinc/93/85/46/392938546.db2.gz ZKFZSTOYEVKDDF-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000514090889 542733726 /nfs/dbraw/zinc/73/37/26/542733726.db2.gz WYRTVDWODKGWSJ-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000514104926 542734117 /nfs/dbraw/zinc/73/41/17/542734117.db2.gz NLMUCZINTUOURC-QZTJIDSGSA-N 1 3 290.451 3.151 20 0 CGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]Cc2ccccc2)cc1 ZINC000415010537 393093620 /nfs/dbraw/zinc/09/36/20/393093620.db2.gz VEASFVXYTIJWQE-MJGOQNOKSA-N 1 3 298.405 3.309 20 0 CGADHO Cc1ccc(COc2ccc(C[NH2+][C@H](C)[C@H](C)N)cc2)cc1 ZINC000415009615 393093716 /nfs/dbraw/zinc/09/37/16/393093716.db2.gz FZVIKRHJSPOWQZ-JKSUJKDBSA-N 1 3 298.430 3.399 20 0 CGADHO Cc1cc(C[NH2+][C@H](C)[C@H](C)N)ccc1Oc1cccnc1 ZINC000415011975 393095207 /nfs/dbraw/zinc/09/52/07/393095207.db2.gz RRAXKWTUCIJRQA-UONOGXRCSA-N 1 3 285.391 3.008 20 0 CGADHO Clc1cc(Cl)cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415015067 393096239 /nfs/dbraw/zinc/09/62/39/393096239.db2.gz XYPFCIKZDFWLBQ-LSDHHAIUSA-N 1 3 299.245 3.471 20 0 CGADHO CCCn1c(CN[C@@H](C)CCCC[NH3+])nc2ccccc21 ZINC000415017201 393098597 /nfs/dbraw/zinc/09/85/97/393098597.db2.gz RKLVZKARJQKMTM-AWEZNQCLSA-N 1 3 288.439 3.053 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000415032000 393104430 /nfs/dbraw/zinc/10/44/30/393104430.db2.gz HQTICHQPLHNBRD-WDEREUQCSA-N 1 3 278.783 3.303 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000415031999 393104703 /nfs/dbraw/zinc/10/47/03/393104703.db2.gz HQTICHQPLHNBRD-QWRGUYRKSA-N 1 3 278.783 3.303 20 0 CGADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344295322 393041225 /nfs/dbraw/zinc/04/12/25/393041225.db2.gz JVKVPCLYNOSAJA-IMJJTQAJSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000414652004 393050110 /nfs/dbraw/zinc/05/01/10/393050110.db2.gz CTAVCJKMMWMVPC-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H]([C@H](C)N)C2)cc1 ZINC000414652004 393050113 /nfs/dbraw/zinc/05/01/13/393050113.db2.gz CTAVCJKMMWMVPC-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H]([C@H](C)N)C2)cc1 ZINC000414652004 393050116 /nfs/dbraw/zinc/05/01/16/393050116.db2.gz CTAVCJKMMWMVPC-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO C[C@H]1NCCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952597 393061289 /nfs/dbraw/zinc/06/12/89/393061289.db2.gz KQQDFNCIXHFCTF-RISCZKNCSA-N 1 3 260.406 3.131 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC000414954638 393063468 /nfs/dbraw/zinc/06/34/68/393063468.db2.gz SUKWDCFBTYTACV-IWCVFHTOSA-N 1 3 272.436 3.443 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000414973246 393075256 /nfs/dbraw/zinc/07/52/56/393075256.db2.gz CALXDBJLDWBQKD-NSHDSACASA-N 1 3 278.396 3.381 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414978503 393077087 /nfs/dbraw/zinc/07/70/87/393077087.db2.gz MBSAJUNBDIHIKP-CYBMUJFWSA-N 1 3 278.396 3.381 20 0 CGADHO Fc1ccc(Cl)cc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414980897 393077680 /nfs/dbraw/zinc/07/76/80/393077680.db2.gz XFSIFLGQFVGMCG-ZDUSSCGKSA-N 1 3 270.779 3.101 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348249177 393118353 /nfs/dbraw/zinc/11/83/53/393118353.db2.gz UTMVYOBHTQCNKS-SJORKVTESA-N 1 3 260.425 3.110 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000415073203 393130496 /nfs/dbraw/zinc/13/04/96/393130496.db2.gz NFJOKTAAJQTTRP-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000415104070 393147419 /nfs/dbraw/zinc/14/74/19/393147419.db2.gz DMJAPKDXDGGKPG-OKZBNKHCSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H]1CCN(Cc2cccc(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC000415133185 393155018 /nfs/dbraw/zinc/15/50/18/393155018.db2.gz UXWYOMJHLPUABY-KXBFYZLASA-N 1 3 295.430 3.165 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000355215378 393263145 /nfs/dbraw/zinc/26/31/45/393263145.db2.gz CMOSIRFOGVVQDX-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000355215378 393263149 /nfs/dbraw/zinc/26/31/49/393263149.db2.gz CMOSIRFOGVVQDX-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000355215378 393263156 /nfs/dbraw/zinc/26/31/56/393263156.db2.gz CMOSIRFOGVVQDX-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000355215378 393263160 /nfs/dbraw/zinc/26/31/60/393263160.db2.gz CMOSIRFOGVVQDX-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCc2ccc(CC)cc2)C1 ZINC000471025601 393273599 /nfs/dbraw/zinc/27/35/99/393273599.db2.gz NOQAFYCOBLFIPS-IBGZPJMESA-N 1 3 288.479 3.455 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCc2ccc(CC)cc2)C1 ZINC000471025601 393273603 /nfs/dbraw/zinc/27/36/03/393273603.db2.gz NOQAFYCOBLFIPS-IBGZPJMESA-N 1 3 288.479 3.455 20 0 CGADHO CSc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000356159088 393363412 /nfs/dbraw/zinc/36/34/12/393363412.db2.gz GAMNKPQPJRLVOE-LLVKDONJSA-N 1 3 282.478 3.044 20 0 CGADHO Cc1nc(C(C)(C)NCCCC2CC[NH2+]CC2)sc1C ZINC000649414651 393415350 /nfs/dbraw/zinc/41/53/50/393415350.db2.gz OIRNXAABEOZGMT-UHFFFAOYSA-N 1 3 295.496 3.364 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C(C)(C)C ZINC000480600367 393435795 /nfs/dbraw/zinc/43/57/95/393435795.db2.gz IYBPCYIMOKMHRA-RBSFLKMASA-N 1 3 254.462 3.379 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@H]1C ZINC000481992649 393438743 /nfs/dbraw/zinc/43/87/43/393438743.db2.gz RGQWZBRFWFKTCH-JJTUDDRGSA-N 1 3 264.457 3.275 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@H](C)C[C@@H]3C[NH3+])c2c1 ZINC000420261743 393444883 /nfs/dbraw/zinc/44/48/83/393444883.db2.gz QOVOTOXLKNTYHK-ZIAGYGMSSA-N 1 3 269.392 3.107 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000420304250 393457965 /nfs/dbraw/zinc/45/79/65/393457965.db2.gz LJNNLRQLXTVARW-JFIYKMOQSA-N 1 3 288.435 3.002 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000420304250 393457971 /nfs/dbraw/zinc/45/79/71/393457971.db2.gz LJNNLRQLXTVARW-JFIYKMOQSA-N 1 3 288.435 3.002 20 0 CGADHO CC[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000420315910 393461640 /nfs/dbraw/zinc/46/16/40/393461640.db2.gz SEZLIBACCQMHRR-ZIAGYGMSSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCNCC1 ZINC000420315910 393461643 /nfs/dbraw/zinc/46/16/43/393461643.db2.gz SEZLIBACCQMHRR-ZIAGYGMSSA-N 1 3 274.399 3.276 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@H]2CCNCC2(C)C)c(C)c1 ZINC000420353083 393472590 /nfs/dbraw/zinc/47/25/90/393472590.db2.gz BIIXSSGQELHFTJ-INIZCTEOSA-N 1 3 260.425 3.090 20 0 CGADHO C[C@@H]1CCN([C@H]2CCCc3ccc(F)cc32)C[C@@H]1C[NH3+] ZINC000420412745 393486385 /nfs/dbraw/zinc/48/63/85/393486385.db2.gz SPTHZGQJDQWAON-IFIJOSMWSA-N 1 3 276.399 3.120 20 0 CGADHO CCC(CC)(CNC1CC[NH+](C(C)(C)C)CC1)OC ZINC000430146321 393530402 /nfs/dbraw/zinc/53/04/02/393530402.db2.gz ITAIYPCRZZIGID-UHFFFAOYSA-N 1 3 270.461 3.044 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+]CCCN(C)C(C)C ZINC000359630803 393553617 /nfs/dbraw/zinc/55/36/17/393553617.db2.gz HWJCOYLTKONJAF-QGZVFWFLSA-N 1 3 260.425 3.302 20 0 CGADHO Cc1cccc(C)c1OCCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430560010 393575198 /nfs/dbraw/zinc/57/51/98/393575198.db2.gz YFECTLWEYYFRMR-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO Cc1ccc(SCCN[C@](C)(C[NH3+])C(C)C)cc1C ZINC000430562388 393576044 /nfs/dbraw/zinc/57/60/44/393576044.db2.gz QZAPLHPMQFSDLF-MRXNPFEDSA-N 1 3 280.481 3.359 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCCNCC2)cc1 ZINC000666857708 542821852 /nfs/dbraw/zinc/82/18/52/542821852.db2.gz FZRQBRCNQDEZIY-RDJZCZTQSA-N 1 3 260.425 3.048 20 0 CGADHO [NH3+]C[C@@H]1CCCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430631369 393581801 /nfs/dbraw/zinc/58/18/01/393581801.db2.gz BBUVBZWQFJBPNY-INIZCTEOSA-N 1 3 298.430 3.279 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCSC ZINC000360960465 393624725 /nfs/dbraw/zinc/62/47/25/393624725.db2.gz YMLXYMBZKQZBGQ-HUUCEWRRSA-N 1 3 272.502 3.230 20 0 CGADHO CCc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422752860 393642736 /nfs/dbraw/zinc/64/27/36/393642736.db2.gz HQAVXENVQDXIOO-IRXDYDNUSA-N 1 3 260.425 3.041 20 0 CGADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCO1 ZINC000423026546 393649450 /nfs/dbraw/zinc/64/94/50/393649450.db2.gz BLXACHUPVJLBQD-UYTYNIKBSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423161793 393652861 /nfs/dbraw/zinc/65/28/61/393652861.db2.gz SHVNRJYPJKZTAW-RHYQMDGZSA-N 1 3 266.351 3.213 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCCC2)c2ccccc21 ZINC000423184995 393653690 /nfs/dbraw/zinc/65/36/90/393653690.db2.gz UKJBIAFHEYILKM-CZUORRHYSA-N 1 3 258.409 3.486 20 0 CGADHO CC(C)[C@@H](NCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423186566 393653745 /nfs/dbraw/zinc/65/37/45/393653745.db2.gz KKRNSGBVHIJPOF-CYBMUJFWSA-N 1 3 274.330 3.341 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423269012 393658091 /nfs/dbraw/zinc/65/80/91/393658091.db2.gz GTTOQXZMFKRPHB-KGLIPLIRSA-N 1 3 297.240 3.009 20 0 CGADHO CCC[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423367445 393663640 /nfs/dbraw/zinc/66/36/40/393663640.db2.gz MLSMCNKSMHTPPN-GHJWDPDVSA-N 1 3 282.378 3.189 20 0 CGADHO CC1(C)CC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000433164583 393692228 /nfs/dbraw/zinc/69/22/28/393692228.db2.gz RUZPGTNSYGDMDL-KRWDZBQOSA-N 1 3 286.463 3.329 20 0 CGADHO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000425363496 393693754 /nfs/dbraw/zinc/69/37/54/393693754.db2.gz WLAZWCDJQGFCTR-BFJAYTPKSA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425363496 393693756 /nfs/dbraw/zinc/69/37/56/393693756.db2.gz WLAZWCDJQGFCTR-BFJAYTPKSA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363496 393693757 /nfs/dbraw/zinc/69/37/57/393693757.db2.gz WLAZWCDJQGFCTR-BFJAYTPKSA-N 1 3 282.497 3.123 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000443962684 393778840 /nfs/dbraw/zinc/77/88/40/393778840.db2.gz JKCHIVYFLVGYSJ-OAHLLOKOSA-N 1 3 280.843 3.470 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)CN1CCCC1 ZINC000502459928 393876475 /nfs/dbraw/zinc/87/64/75/393876475.db2.gz GPMXQUFTYRXHGF-INMHGKMJSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCOC3(C)C)CC2)C1 ZINC000449412154 393880616 /nfs/dbraw/zinc/88/06/16/393880616.db2.gz BLZJDGJKIXOTLL-PVAVHDDUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC3(C)C)CC2)C1 ZINC000449412154 393880618 /nfs/dbraw/zinc/88/06/18/393880618.db2.gz BLZJDGJKIXOTLL-PVAVHDDUSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1ccc(C[C@@H](C)N(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000502890092 393887211 /nfs/dbraw/zinc/88/72/11/393887211.db2.gz IJLWIAZDWNKKPM-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccc(C[C@@H](C)N(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000502890092 393887212 /nfs/dbraw/zinc/88/72/12/393887212.db2.gz IJLWIAZDWNKKPM-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995275 542832426 /nfs/dbraw/zinc/83/24/26/542832426.db2.gz JEZACYGXULZATB-ZOBUZTSGSA-N 1 3 272.436 3.443 20 0 CGADHO c1ccc(OCCCC[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666993914 542832470 /nfs/dbraw/zinc/83/24/70/542832470.db2.gz SOKDRJVAWTXJMB-MRXNPFEDSA-N 1 3 288.435 3.110 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)CC(C)(C)C1 ZINC000666995672 542833392 /nfs/dbraw/zinc/83/33/92/542833392.db2.gz WFXBGWXEHGQTCU-ILXRZTDVSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995637 542833758 /nfs/dbraw/zinc/83/37/58/542833758.db2.gz UTFZXSMUMVRTET-XJKSGUPXSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995637 542833761 /nfs/dbraw/zinc/83/37/61/542833761.db2.gz UTFZXSMUMVRTET-XJKSGUPXSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995742 542834146 /nfs/dbraw/zinc/83/41/46/542834146.db2.gz YRXMBYQTUZUIBL-HOCLYGCPSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H](CCc1ccccc1F)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995742 542834149 /nfs/dbraw/zinc/83/41/49/542834149.db2.gz YRXMBYQTUZUIBL-HOCLYGCPSA-N 1 3 290.426 3.411 20 0 CGADHO Cc1noc(C)c1C[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000667005604 542835401 /nfs/dbraw/zinc/83/54/01/542835401.db2.gz POMORYBIIFBOEM-WWGRRREGSA-N 1 3 293.455 3.123 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764763 393944194 /nfs/dbraw/zinc/94/41/94/393944194.db2.gz DKSPGAWKLOCEAF-JSRQGNBESA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000453056409 394155150 /nfs/dbraw/zinc/15/51/50/394155150.db2.gz BXSNKCKEILHBQZ-NJAFHUGGSA-N 1 3 287.451 3.009 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453103939 394172744 /nfs/dbraw/zinc/17/27/44/394172744.db2.gz YEOMNZMXBDWQHX-WMZOPIPTSA-N 1 3 289.467 3.114 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccncc1 ZINC000453199243 394202957 /nfs/dbraw/zinc/20/29/57/394202957.db2.gz XFLXZJQIQOUUGA-WBVHZDCISA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ccccc1F ZINC000453416230 394240422 /nfs/dbraw/zinc/24/04/22/394240422.db2.gz ISRFDHGUPDLVSM-CYBMUJFWSA-N 1 3 264.388 3.351 20 0 CGADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000453416230 394240424 /nfs/dbraw/zinc/24/04/24/394240424.db2.gz ISRFDHGUPDLVSM-CYBMUJFWSA-N 1 3 264.388 3.351 20 0 CGADHO C[C@H]1CC[C@@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)O1 ZINC000453418314 394241257 /nfs/dbraw/zinc/24/12/57/394241257.db2.gz WFJMVBCKBDTALK-FZCLSBEQSA-N 1 3 294.483 3.187 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc2c(cccc2C)[nH]1 ZINC000668165763 542978831 /nfs/dbraw/zinc/97/88/31/542978831.db2.gz FLPKMVJVQJPYKY-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc2c(cccc2C)[nH]1 ZINC000668165763 542978834 /nfs/dbraw/zinc/97/88/34/542978834.db2.gz FLPKMVJVQJPYKY-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO Cc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000043315844 397616457 /nfs/dbraw/zinc/61/64/57/397616457.db2.gz KXPCYPYCKBTFKC-ROUUACIJSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)[C@H]1CC[NH3+] ZINC000650710941 397898878 /nfs/dbraw/zinc/89/88/78/397898878.db2.gz DGALQOMNFRKOGN-DOMZBBRYSA-N 1 3 298.377 3.237 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccncc1 ZINC000675926712 543374893 /nfs/dbraw/zinc/37/48/93/543374893.db2.gz FBIZVSWOWOKMMG-CQSZACIVSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccncc1 ZINC000675926712 543374894 /nfs/dbraw/zinc/37/48/94/543374894.db2.gz FBIZVSWOWOKMMG-CQSZACIVSA-N 1 3 275.440 3.038 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000677475174 543450778 /nfs/dbraw/zinc/45/07/78/543450778.db2.gz YYZLLPLEYITKCO-IBGZPJMESA-N 1 3 286.463 3.201 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000677475174 543450780 /nfs/dbraw/zinc/45/07/80/543450780.db2.gz YYZLLPLEYITKCO-IBGZPJMESA-N 1 3 286.463 3.201 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000089145687 292247347 /nfs/dbraw/zinc/24/73/47/292247347.db2.gz ALDUYAMCQDGJQC-YNEHKIRRSA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)s1 ZINC000089145687 292247348 /nfs/dbraw/zinc/24/73/48/292247348.db2.gz ALDUYAMCQDGJQC-YNEHKIRRSA-N 1 3 252.427 3.225 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN2C)C1(CC)CC ZINC000429348686 286282464 /nfs/dbraw/zinc/28/24/64/286282464.db2.gz KWCLDBXYUVPDAW-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO COc1ccc([C@@H]([NH2+]C[C@@H](C)CN(C)C)C(C)C)cc1 ZINC000425946220 286359537 /nfs/dbraw/zinc/35/95/37/286359537.db2.gz OAHMKNPBDATMQM-PBHICJAKSA-N 1 3 278.440 3.180 20 0 CGADHO COc1ccc([C@@H](NC[C@@H](C)C[NH+](C)C)C(C)C)cc1 ZINC000425946220 286359538 /nfs/dbraw/zinc/35/95/38/286359538.db2.gz OAHMKNPBDATMQM-PBHICJAKSA-N 1 3 278.440 3.180 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000414795888 304855407 /nfs/dbraw/zinc/85/54/07/304855407.db2.gz XNVVPTRYAVUMRV-SJLPKXTDSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423386659 296736432 /nfs/dbraw/zinc/73/64/32/296736432.db2.gz MGILFFHBMXTCKQ-OEUWWYETSA-N 1 3 258.409 3.485 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C1CCCC1)CN1CCCCC1 ZINC000054080891 286941081 /nfs/dbraw/zinc/94/10/81/286941081.db2.gz QITJZTINLMUZQD-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCCNC1 ZINC000423209860 287012033 /nfs/dbraw/zinc/01/20/33/287012033.db2.gz FMSUHFRWEAWKOX-RSIVFMTNSA-N 1 3 294.483 3.235 20 0 CGADHO Cc1ccccc1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075834450 287029121 /nfs/dbraw/zinc/02/91/21/287029121.db2.gz JAIWOGAJVMLFDS-QGZVFWFLSA-N 1 3 272.436 3.303 20 0 CGADHO Cc1ccccc1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075834450 287029124 /nfs/dbraw/zinc/02/91/24/287029124.db2.gz JAIWOGAJVMLFDS-QGZVFWFLSA-N 1 3 272.436 3.303 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000414110706 287050293 /nfs/dbraw/zinc/05/02/93/287050293.db2.gz OLZPIANWKMJYQD-KDEOKCCVSA-N 1 3 264.457 3.274 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]CC1CCN(C)CC1 ZINC000070092006 165052742 /nfs/dbraw/zinc/05/27/42/165052742.db2.gz OFUOBTDCCVQTIY-LBPRGKRZSA-N 1 3 252.427 3.049 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000089146128 165200697 /nfs/dbraw/zinc/20/06/97/165200697.db2.gz RMULWEORUXWTFS-SMDDNHRTSA-N 1 3 270.779 3.086 20 0 CGADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000092383867 287111474 /nfs/dbraw/zinc/11/14/74/287111474.db2.gz DVCMYRLVFBPCEZ-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000092383867 287111476 /nfs/dbraw/zinc/11/14/76/287111476.db2.gz DVCMYRLVFBPCEZ-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000116387773 287157141 /nfs/dbraw/zinc/15/71/41/287157141.db2.gz OHQOXKCFHVNMTG-SJLPKXTDSA-N 1 3 274.452 3.329 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccco1 ZINC000019915049 170924670 /nfs/dbraw/zinc/92/46/70/170924670.db2.gz GFHCFKIAWWOGJJ-UONOGXRCSA-N 1 3 252.402 3.441 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C)c1 ZINC000285719778 196377920 /nfs/dbraw/zinc/37/79/20/196377920.db2.gz QCBZDZPWUCSSHT-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(C)c1 ZINC000285719778 196377922 /nfs/dbraw/zinc/37/79/22/196377922.db2.gz QCBZDZPWUCSSHT-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719778 196377924 /nfs/dbraw/zinc/37/79/24/196377924.db2.gz QCBZDZPWUCSSHT-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H]([NH2+]C1CCNCC1)c1cccc(Cl)c1 ZINC000038040901 174041094 /nfs/dbraw/zinc/04/10/94/174041094.db2.gz GGAWZFGUBLJTGQ-CQSZACIVSA-N 1 3 252.789 3.133 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(Cl)cc1 ZINC000043326206 175007396 /nfs/dbraw/zinc/00/73/96/175007396.db2.gz JSQMSSHSUNUXLM-ZIAGYGMSSA-N 1 3 252.789 3.133 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000128018696 287301452 /nfs/dbraw/zinc/30/14/52/287301452.db2.gz GUXVUSOVKPGJRZ-XYPHTWIQSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)CN1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000128493425 287312271 /nfs/dbraw/zinc/31/22/71/287312271.db2.gz KRWYVQVZJXZOHO-UHFFFAOYSA-N 1 3 274.452 3.329 20 0 CGADHO CC(C)C[NH+]1CCC(NCCCc2ccccc2)CC1 ZINC000128493425 287312272 /nfs/dbraw/zinc/31/22/72/287312272.db2.gz KRWYVQVZJXZOHO-UHFFFAOYSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037374174 287316902 /nfs/dbraw/zinc/31/69/02/287316902.db2.gz AZXIHJWQOQMNAV-RHSMWYFYSA-N 1 3 273.424 3.219 20 0 CGADHO CC[C@@H]1CN(CCCOc2cc(C)cc(C)c2)CC[C@@H]1[NH3+] ZINC000122746089 416506218 /nfs/dbraw/zinc/50/62/18/416506218.db2.gz AENITTUPISQXLI-AEFFLSMTSA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCC(F)(F)C2)CC1 ZINC000679073592 543588949 /nfs/dbraw/zinc/58/89/49/543588949.db2.gz LPKYZLBQNSHCJM-GFCCVEGCSA-N 1 3 260.372 3.027 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682069795 543819854 /nfs/dbraw/zinc/81/98/54/543819854.db2.gz ADLABSAOMFIACS-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682069795 543819855 /nfs/dbraw/zinc/81/98/55/543819855.db2.gz ADLABSAOMFIACS-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069795 543819859 /nfs/dbraw/zinc/81/98/59/543819859.db2.gz ADLABSAOMFIACS-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682069795 543819861 /nfs/dbraw/zinc/81/98/61/543819861.db2.gz ADLABSAOMFIACS-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CC(C)=CCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000682945467 543880835 /nfs/dbraw/zinc/88/08/35/543880835.db2.gz JXTWFRHOGFCMGO-UHFFFAOYSA-N 1 3 276.424 3.073 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000683789053 543943186 /nfs/dbraw/zinc/94/31/86/543943186.db2.gz WDNFWZLBAPMVOP-DOTOQJQBSA-N 1 3 258.409 3.090 20 0 CGADHO CN(C)[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000683789053 543943187 /nfs/dbraw/zinc/94/31/87/543943187.db2.gz WDNFWZLBAPMVOP-DOTOQJQBSA-N 1 3 258.409 3.090 20 0 CGADHO C[NH+](C)[C@H]1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC000683789053 543943189 /nfs/dbraw/zinc/94/31/89/543943189.db2.gz WDNFWZLBAPMVOP-DOTOQJQBSA-N 1 3 258.409 3.090 20 0 CGADHO CO[C@H]1CCC[C@H](NCCC[NH+](C(C)C)C(C)C)C1 ZINC000684385072 543990686 /nfs/dbraw/zinc/99/06/86/543990686.db2.gz UYUCWORWODSZRM-HOTGVXAUSA-N 1 3 270.461 3.043 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]CCCN(C(C)C)C(C)C)C1 ZINC000684385072 543990688 /nfs/dbraw/zinc/99/06/88/543990688.db2.gz UYUCWORWODSZRM-HOTGVXAUSA-N 1 3 270.461 3.043 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000685455224 544073644 /nfs/dbraw/zinc/07/36/44/544073644.db2.gz LQUIIGFCFIUCBS-WMZOPIPTSA-N 1 3 274.452 3.185 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000650741534 418936367 /nfs/dbraw/zinc/93/63/67/418936367.db2.gz GADNRBUEOFMOJN-MVJPYGJCSA-N 1 3 294.442 3.399 20 0 CGADHO CC[N@H+](CCCN[C@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000652238177 418940248 /nfs/dbraw/zinc/94/02/48/418940248.db2.gz WFNLJRTZLASCIU-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000652238177 418940251 /nfs/dbraw/zinc/94/02/51/418940251.db2.gz WFNLJRTZLASCIU-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)NCC1([NH3+])CCCC1 ZINC000665246801 419090798 /nfs/dbraw/zinc/09/07/98/419090798.db2.gz OGBWGXFIVBPCCO-ZDUSSCGKSA-N 1 3 272.392 3.225 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H](C)CN(C)C)CC2 ZINC000655769827 419091850 /nfs/dbraw/zinc/09/18/50/419091850.db2.gz PMCACXMODLLNHY-BBRMVZONSA-N 1 3 260.425 3.078 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@H](C)C[NH+](C)C)CC2 ZINC000655769827 419091854 /nfs/dbraw/zinc/09/18/54/419091854.db2.gz PMCACXMODLLNHY-BBRMVZONSA-N 1 3 260.425 3.078 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665249218 419092475 /nfs/dbraw/zinc/09/24/75/419092475.db2.gz LMGBBQXXKBJTCO-CJNGLKHVSA-N 1 3 258.409 3.486 20 0 CGADHO C[C@]1(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665266525 419097132 /nfs/dbraw/zinc/09/71/32/419097132.db2.gz DMJTXTVBDVAMMA-IHRRRGAJSA-N 1 3 266.335 3.156 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279728 419100664 /nfs/dbraw/zinc/10/06/64/419100664.db2.gz KNLCMMPLEFSUFV-RHSMWYFYSA-N 1 3 278.440 3.498 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(F)cc1 ZINC000665279594 419100761 /nfs/dbraw/zinc/10/07/61/419100761.db2.gz GRMJSMZWTPXZTB-CABCVRRESA-N 1 3 252.377 3.240 20 0 CGADHO CC(C)CC[C@@H]([NH2+]CC12CC(C1)CN2)C(C)(C)C ZINC000665279779 419100809 /nfs/dbraw/zinc/10/08/09/419100809.db2.gz MBAHOSKLYJZRKX-NPCAHTBFSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)CC[C@@H](NCC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000665279779 419100813 /nfs/dbraw/zinc/10/08/13/419100813.db2.gz MBAHOSKLYJZRKX-NPCAHTBFSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000655806085 419102347 /nfs/dbraw/zinc/10/23/47/419102347.db2.gz PAOXKQZXJXVQRZ-GHJWDPDVSA-N 1 3 282.378 3.346 20 0 CGADHO COc1ccc([C@H](NCC[C@@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000665281252 419102473 /nfs/dbraw/zinc/10/24/73/419102473.db2.gz YJBUFDYSAHWURB-IAGOWNOFSA-N 1 3 278.440 3.355 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCc1ccco1 ZINC000665282837 419102484 /nfs/dbraw/zinc/10/24/84/419102484.db2.gz COIFDLGCOFPQIW-LSDHHAIUSA-N 1 3 264.413 3.113 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]CC[C@@H](N)C(C)C)C2CC2)c1 ZINC000665281279 419103040 /nfs/dbraw/zinc/10/30/40/419103040.db2.gz ZAVNJONBYZMCPQ-QZTJIDSGSA-N 1 3 274.452 3.279 20 0 CGADHO Cc1cccc(C[C@@H](NCC[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000665281279 419103046 /nfs/dbraw/zinc/10/30/46/419103046.db2.gz ZAVNJONBYZMCPQ-QZTJIDSGSA-N 1 3 274.452 3.279 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C2 ZINC000665281778 419103095 /nfs/dbraw/zinc/10/30/95/419103095.db2.gz KPXGFJOMSFRJIG-IAOVAPTHSA-N 1 3 260.425 3.191 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1cc(F)ccc1OC(F)F ZINC000665283051 419103488 /nfs/dbraw/zinc/10/34/88/419103488.db2.gz GOYQXSASJGJXNO-JTQLQIEISA-N 1 3 290.329 3.034 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283505 419103633 /nfs/dbraw/zinc/10/36/33/419103633.db2.gz OYYQWYSJIGEQBO-MFNRNEDNSA-N 1 3 264.457 3.323 20 0 CGADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)C1CCCCC1 ZINC000665283976 419104266 /nfs/dbraw/zinc/10/42/66/419104266.db2.gz YDFONVIRFCPJTB-OKZBNKHCSA-N 1 3 288.435 3.316 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000665299391 419111019 /nfs/dbraw/zinc/11/10/19/419111019.db2.gz MIBNBBTUZIWVAT-BQFCYCMXSA-N 1 3 272.436 3.214 20 0 CGADHO CC1(C)C[C@]1(CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000665299391 419111021 /nfs/dbraw/zinc/11/10/21/419111021.db2.gz MIBNBBTUZIWVAT-BQFCYCMXSA-N 1 3 272.436 3.214 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989738 419057315 /nfs/dbraw/zinc/05/73/15/419057315.db2.gz SDAFMHQWVMZTJC-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989738 419057318 /nfs/dbraw/zinc/05/73/18/419057318.db2.gz SDAFMHQWVMZTJC-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659989738 419057320 /nfs/dbraw/zinc/05/73/20/419057320.db2.gz SDAFMHQWVMZTJC-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659989738 419057322 /nfs/dbraw/zinc/05/73/22/419057322.db2.gz SDAFMHQWVMZTJC-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1cccc(F)c1)C2 ZINC000660662010 419179529 /nfs/dbraw/zinc/17/95/29/419179529.db2.gz GVDZEDINLVAJQM-GOSISDBHSA-N 1 3 290.426 3.176 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1cccc(F)c1)C2 ZINC000660662010 419179530 /nfs/dbraw/zinc/17/95/30/419179530.db2.gz GVDZEDINLVAJQM-GOSISDBHSA-N 1 3 290.426 3.176 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc21 ZINC000657307385 419247619 /nfs/dbraw/zinc/24/76/19/419247619.db2.gz OMMBROZYWXVCMX-AWEZNQCLSA-N 1 3 283.419 3.050 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000657590232 419311525 /nfs/dbraw/zinc/31/15/25/419311525.db2.gz YHGDYALTTMLQLS-BIVLZKPYSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)CCC[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613821 419314484 /nfs/dbraw/zinc/31/44/84/419314484.db2.gz RNQAHBCIGUOWDN-UHFFFAOYSA-N 1 3 289.467 3.319 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@H](C)c1cc2ccncc2s1 ZINC000657857820 419390031 /nfs/dbraw/zinc/39/00/31/419390031.db2.gz CTCQOJULWQPEMB-VXGBXAGGSA-N 1 3 277.437 3.287 20 0 CGADHO Fc1cccc(F)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812905 419363930 /nfs/dbraw/zinc/36/39/30/419363930.db2.gz VZJIKOYRAAOTEN-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+](CC)[C@@H]1CCCNCC1 ZINC000662266997 419375347 /nfs/dbraw/zinc/37/53/47/419375347.db2.gz PJZWYZCEWKWHHO-QWHCGFSZSA-N 1 3 262.388 3.132 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+](CC)[C@@H]1CCCNCC1 ZINC000662266997 419375353 /nfs/dbraw/zinc/37/53/53/419375353.db2.gz PJZWYZCEWKWHHO-QWHCGFSZSA-N 1 3 262.388 3.132 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000662280474 419382445 /nfs/dbraw/zinc/38/24/45/419382445.db2.gz FBXBLRQNCAYHHK-CXAGYDPISA-N 1 3 258.409 3.001 20 0 CGADHO CO[C@H](CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275474 419382508 /nfs/dbraw/zinc/38/25/08/419382508.db2.gz CZQWPRVFMYXJSQ-RCCFBDPRSA-N 1 3 294.483 3.046 20 0 CGADHO CCOC1CCC([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000657845821 419385900 /nfs/dbraw/zinc/38/59/00/419385900.db2.gz XYKBRDWVPWCTFT-GTPINHCMSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663345245 419568128 /nfs/dbraw/zinc/56/81/28/419568128.db2.gz HGNLBWZTNIOKQI-HOCLYGCPSA-N 1 3 252.446 3.133 20 0 CGADHO COc1cccc(C2([NH2+]C[C@H](N)CC(C)C)CCC2)c1 ZINC000663502158 419634786 /nfs/dbraw/zinc/63/47/86/419634786.db2.gz CUEMKXLCSOYFFG-OAHLLOKOSA-N 1 3 276.424 3.037 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000663502067 419636474 /nfs/dbraw/zinc/63/64/74/419636474.db2.gz FECGNDYSBXHLPW-RKTXRCNFSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000663502067 419636482 /nfs/dbraw/zinc/63/64/82/419636482.db2.gz FECGNDYSBXHLPW-RKTXRCNFSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H](N)CC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000663499699 419636802 /nfs/dbraw/zinc/63/68/02/419636802.db2.gz KYHQKLWLEFWVQP-DOTOQJQBSA-N 1 3 262.441 3.218 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CCc1ccccc1F ZINC000663502676 419637518 /nfs/dbraw/zinc/63/75/18/419637518.db2.gz JUNRLTWVCDROIU-XJKSGUPXSA-N 1 3 266.404 3.110 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCc1ccccc1F ZINC000663502676 419637523 /nfs/dbraw/zinc/63/75/23/419637523.db2.gz JUNRLTWVCDROIU-XJKSGUPXSA-N 1 3 266.404 3.110 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466869 419618630 /nfs/dbraw/zinc/61/86/30/419618630.db2.gz ASRQJQCQKNIOLJ-YOEHRIQHSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466869 419618641 /nfs/dbraw/zinc/61/86/41/419618641.db2.gz ASRQJQCQKNIOLJ-YOEHRIQHSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466869 419618650 /nfs/dbraw/zinc/61/86/50/419618650.db2.gz ASRQJQCQKNIOLJ-YOEHRIQHSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccccc1 ZINC000663470169 419624908 /nfs/dbraw/zinc/62/49/08/419624908.db2.gz SQVJZWCAMZHCOQ-DOTOQJQBSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOCc1ccccc1 ZINC000390060917 262098776 /nfs/dbraw/zinc/09/87/76/262098776.db2.gz UDDPQRQWSSSNBR-AEFFLSMTSA-N 1 3 290.451 3.104 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNc2ccnc3ccccc32)C1 ZINC000041721111 270031278 /nfs/dbraw/zinc/03/12/78/270031278.db2.gz YYLFINOTFBDIQM-AWEZNQCLSA-N 1 3 269.392 3.377 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNc2ccnc3ccccc32)C1 ZINC000041721111 270031279 /nfs/dbraw/zinc/03/12/79/270031279.db2.gz YYLFINOTFBDIQM-AWEZNQCLSA-N 1 3 269.392 3.377 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2ccccc2OC)CC1 ZINC000044517559 270036542 /nfs/dbraw/zinc/03/65/42/270036542.db2.gz VLBNLOCZKBZNGQ-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000044534742 270036824 /nfs/dbraw/zinc/03/68/24/270036824.db2.gz RPTCTXBJJKLELU-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534742 270036825 /nfs/dbraw/zinc/03/68/25/270036825.db2.gz RPTCTXBJJKLELU-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)OC1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000186551809 270066320 /nfs/dbraw/zinc/06/63/20/270066320.db2.gz XEXMTFYRVMJSMD-UHFFFAOYSA-N 1 3 294.483 3.329 20 0 CGADHO CC(C)OC1CC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000186551809 270066321 /nfs/dbraw/zinc/06/63/21/270066321.db2.gz XEXMTFYRVMJSMD-UHFFFAOYSA-N 1 3 294.483 3.329 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250402886 270091451 /nfs/dbraw/zinc/09/14/51/270091451.db2.gz ZGZAPMHKCANJCD-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc(C)ccc2C)C1 ZINC000250402886 270091452 /nfs/dbraw/zinc/09/14/52/270091452.db2.gz ZGZAPMHKCANJCD-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc(C)ccc2C)C1 ZINC000250402886 270091453 /nfs/dbraw/zinc/09/14/53/270091453.db2.gz ZGZAPMHKCANJCD-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+](C)Cc1cccc(CNCc2ccnc(C)c2)c1 ZINC000527653437 270130987 /nfs/dbraw/zinc/13/09/87/270130987.db2.gz KLULLWXSGGURHR-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CNCc2ccnc(C)c2)c1 ZINC000527653437 270130988 /nfs/dbraw/zinc/13/09/88/270130988.db2.gz KLULLWXSGGURHR-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652636 270131079 /nfs/dbraw/zinc/13/10/79/270131079.db2.gz GJPHTRDGVRIOKY-OTRWWLKZSA-N 1 3 264.457 3.131 20 0 CGADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527805005 270137092 /nfs/dbraw/zinc/13/70/92/270137092.db2.gz TXIUSWZLFGQTET-OIPACUDHSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000527805005 270137093 /nfs/dbraw/zinc/13/70/93/270137093.db2.gz TXIUSWZLFGQTET-OIPACUDHSA-N 1 3 294.483 3.185 20 0 CGADHO CC1(C)CC(C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000528352211 270162078 /nfs/dbraw/zinc/16/20/78/270162078.db2.gz BQRMFWKRPYZHAE-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1CC=CCC1 ZINC000530224713 270196455 /nfs/dbraw/zinc/19/64/55/270196455.db2.gz WWFASMZLSJGLNI-UKRRQHHQSA-N 1 3 273.424 3.246 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CCNC34CCC4)C2)cc1 ZINC000530214863 270195721 /nfs/dbraw/zinc/19/57/21/270195721.db2.gz DGOJVTHSECGBQF-RCCFBDPRSA-N 1 3 284.447 3.272 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCNC23CCC3)C2CC2)cc1 ZINC000530222088 270196564 /nfs/dbraw/zinc/19/65/64/270196564.db2.gz QEVTYBFHIBGUNF-ROUUACIJSA-N 1 3 284.447 3.190 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000360037657 274022664 /nfs/dbraw/zinc/02/26/64/274022664.db2.gz KWFGDGOGYGHCQJ-CRAIPNDOSA-N 1 3 290.451 3.183 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000360037657 274022665 /nfs/dbraw/zinc/02/26/65/274022665.db2.gz KWFGDGOGYGHCQJ-CRAIPNDOSA-N 1 3 290.451 3.183 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423303997 274214470 /nfs/dbraw/zinc/21/44/70/274214470.db2.gz XXPOCENFCASZGR-SDBXPKJASA-N 1 3 273.207 3.165 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000269035099 274209087 /nfs/dbraw/zinc/20/90/87/274209087.db2.gz SKEKEDXPMLQLLV-FZMZJTMJSA-N 1 3 282.428 3.292 20 0 CGADHO C[C@@H]([NH3+])[C@@H](C)NCCCc1c(Cl)cccc1Cl ZINC000415011447 274237392 /nfs/dbraw/zinc/23/73/92/274237392.db2.gz HVSHIGFGYIEMAI-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)CCN1 ZINC000423374073 274393939 /nfs/dbraw/zinc/39/39/39/274393939.db2.gz HPMAVKFODFCCLE-WQGACYEGSA-N 1 3 278.827 3.448 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](C)CN(C)C ZINC000491543651 274479915 /nfs/dbraw/zinc/47/99/15/274479915.db2.gz GWUSZJAXLSZUER-HZPDHXFCSA-N 1 3 262.441 3.043 20 0 CGADHO Fc1cccc2c1CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423390527 274914855 /nfs/dbraw/zinc/91/48/55/274914855.db2.gz OXILHFMUCRYPBD-SFHVURJKSA-N 1 3 282.362 3.206 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2NCCC[NH2+]C1CC1 ZINC000423532875 275069458 /nfs/dbraw/zinc/06/94/58/275069458.db2.gz WCKPLJCCECKKRV-QGZVFWFLSA-N 1 3 258.409 3.186 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2[NH2+]CCCNC1CC1 ZINC000423532875 275069460 /nfs/dbraw/zinc/06/94/60/275069460.db2.gz WCKPLJCCECKKRV-QGZVFWFLSA-N 1 3 258.409 3.186 20 0 CGADHO CC1(C)CC([NH2+]CC2CCCCC2)CC(C)(C)N1 ZINC000020143172 275809076 /nfs/dbraw/zinc/80/90/76/275809076.db2.gz MBHJEBOCIUEWJL-UHFFFAOYSA-N 1 3 252.446 3.466 20 0 CGADHO CCCOCc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422693244 276019110 /nfs/dbraw/zinc/01/91/10/276019110.db2.gz LOOUJORRJJNWHX-MSOLQXFVSA-N 1 3 290.451 3.363 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000294866563 276110878 /nfs/dbraw/zinc/11/08/78/276110878.db2.gz WHNAWGYUNMFCPO-IIDMSEBBSA-N 1 3 290.451 3.184 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000337999750 287955366 /nfs/dbraw/zinc/95/53/66/287955366.db2.gz XSRDBYAVJAHUGV-ZWKOTPCHSA-N 1 3 272.436 3.417 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337363315 277396968 /nfs/dbraw/zinc/39/69/68/277396968.db2.gz AHQCAZJZXZQVQP-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC(C(F)(F)F)C1 ZINC000423120817 277592547 /nfs/dbraw/zinc/59/25/47/277592547.db2.gz HSMKCMZUDWSLKF-GMKTYKIGSA-N 1 3 278.362 3.228 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CCC1 ZINC000353924347 277619829 /nfs/dbraw/zinc/61/98/29/277619829.db2.gz BLWDCQMOGZTOGF-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCC[C@@H](CC[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000261578985 277705219 /nfs/dbraw/zinc/70/52/19/277705219.db2.gz PHHRTSMIRWTPSB-QLFBSQMISA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425927124 277747939 /nfs/dbraw/zinc/74/79/39/277747939.db2.gz SXZBRFRKXQDQAO-DOTOQJQBSA-N 1 3 262.441 3.041 20 0 CGADHO COc1cccc(C[C@H]([NH2+][C@H](C)[C@H](C)N)c2ccccc2)c1 ZINC000423440929 278014709 /nfs/dbraw/zinc/01/47/09/278014709.db2.gz ISNLNBIALRFUGC-KHYOSLBOSA-N 1 3 298.430 3.304 20 0 CGADHO CC(C)CSCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000397262852 288022508 /nfs/dbraw/zinc/02/25/08/288022508.db2.gz IBWKJTPWOOXYET-LSDHHAIUSA-N 1 3 264.438 3.110 20 0 CGADHO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000340517759 278232074 /nfs/dbraw/zinc/23/20/74/278232074.db2.gz GFOCYRIPDZMYTA-KFWWJZLASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CCC(F)(F)CC1 ZINC000353279218 278256250 /nfs/dbraw/zinc/25/62/50/278256250.db2.gz QXPLVLJQHGDFQX-LBPRGKRZSA-N 1 3 272.383 3.052 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449251729 278256290 /nfs/dbraw/zinc/25/62/90/278256290.db2.gz OUIQAMCBQIQQIA-IJEWVQPXSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(C)CC3)CC2)C1 ZINC000358176339 278498522 /nfs/dbraw/zinc/49/85/22/278498522.db2.gz OFKXPUKHFSCNKE-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000423059864 279082633 /nfs/dbraw/zinc/08/26/33/279082633.db2.gz MYKRFGVSMITWGT-VNHYZAJKSA-N 1 3 275.440 3.468 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920584 279097140 /nfs/dbraw/zinc/09/71/40/279097140.db2.gz ZRMJVCHDUPYSQN-XHSDSOJGSA-N 1 3 254.462 3.427 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CC1 ZINC000423115656 279367506 /nfs/dbraw/zinc/36/75/06/279367506.db2.gz YFXGMGIKFAWDOI-NEPJUHHUSA-N 1 3 278.362 3.229 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000131548477 288152687 /nfs/dbraw/zinc/15/26/87/288152687.db2.gz SEBPWTQTJNZIMN-SLEUVZQESA-N 1 3 266.816 3.460 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057665 288154429 /nfs/dbraw/zinc/15/44/29/288154429.db2.gz HRFNLPXYQSZLLR-BLLLJJGKSA-N 1 3 282.378 3.477 20 0 CGADHO CC(C)[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000353540286 279905240 /nfs/dbraw/zinc/90/52/40/279905240.db2.gz GMPBAODZXAUEEB-QGZVFWFLSA-N 1 3 293.430 3.239 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049092738 280116221 /nfs/dbraw/zinc/11/62/21/280116221.db2.gz MJIJZZANCXCEMQ-ZIAGYGMSSA-N 1 3 261.413 3.075 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cc2ccccc2o1 ZINC000423452454 280332373 /nfs/dbraw/zinc/33/23/73/280332373.db2.gz WJMHSFHWKMENQK-MKBNYLNASA-N 1 3 260.381 3.455 20 0 CGADHO C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)CN1CCCCC1 ZINC000529532843 288258829 /nfs/dbraw/zinc/25/88/29/288258829.db2.gz PLXIFKFVPXRSPI-CHWSQXEVSA-N 1 3 274.399 3.132 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537786 288260140 /nfs/dbraw/zinc/26/01/40/288260140.db2.gz VIZWWWARSOCHPS-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537786 288260143 /nfs/dbraw/zinc/26/01/43/288260143.db2.gz VIZWWWARSOCHPS-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537786 288260146 /nfs/dbraw/zinc/26/01/46/288260146.db2.gz VIZWWWARSOCHPS-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537786 288260148 /nfs/dbraw/zinc/26/01/48/288260148.db2.gz VIZWWWARSOCHPS-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537787 288260251 /nfs/dbraw/zinc/26/02/51/288260251.db2.gz VIZWWWARSOCHPS-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537787 288260252 /nfs/dbraw/zinc/26/02/52/288260252.db2.gz VIZWWWARSOCHPS-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537787 288260256 /nfs/dbraw/zinc/26/02/56/288260256.db2.gz VIZWWWARSOCHPS-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537787 288260260 /nfs/dbraw/zinc/26/02/60/288260260.db2.gz VIZWWWARSOCHPS-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000516258511 281045510 /nfs/dbraw/zinc/04/55/10/281045510.db2.gz ABUCCNMOKSAKPD-UONOGXRCSA-N 1 3 252.446 3.181 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCc3ccccc3CC2)C1 ZINC000530213710 288300816 /nfs/dbraw/zinc/30/08/16/288300816.db2.gz VOFBMIMTAGWSRR-MSOLQXFVSA-N 1 3 272.436 3.041 20 0 CGADHO CCCC1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530176064 288293848 /nfs/dbraw/zinc/29/38/48/288293848.db2.gz AYJMHDDOEFUZLM-NRXISQOPSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530176941 288294444 /nfs/dbraw/zinc/29/44/44/288294444.db2.gz FFNLBQGVFZPJCC-DOTOQJQBSA-N 1 3 272.436 3.130 20 0 CGADHO C1CC2(C1)NCC[C@H]2[NH2+][C@H]1CCCC12CCCCC2 ZINC000530214144 288300934 /nfs/dbraw/zinc/30/09/34/288300934.db2.gz BHHCHZKFVAIFKN-LSDHHAIUSA-N 1 3 262.441 3.364 20 0 CGADHO CC[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000532202552 288355164 /nfs/dbraw/zinc/35/51/64/288355164.db2.gz ADFXIBSGKOSBDE-JZXOWHBKSA-N 1 3 296.499 3.149 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000542149107 288735850 /nfs/dbraw/zinc/73/58/50/288735850.db2.gz XOKNWROGUHIUQT-HRCADAONSA-N 1 3 284.513 3.372 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000552046100 289154451 /nfs/dbraw/zinc/15/44/51/289154451.db2.gz YDIRAPTVEUPOAU-SJORKVTESA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@]1(CN2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC000262107528 289163790 /nfs/dbraw/zinc/16/37/90/289163790.db2.gz WBKBZIOFIFCABS-OAHLLOKOSA-N 1 3 250.430 3.032 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000554113029 289260355 /nfs/dbraw/zinc/26/03/55/289260355.db2.gz QWUFDXDSZPYYEE-QXRTWZOPSA-N 1 3 276.468 3.418 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280883686 289309927 /nfs/dbraw/zinc/30/99/27/289309927.db2.gz OPZUOJPERPSFRZ-KSZLIROESA-N 1 3 287.451 3.385 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825280 289773566 /nfs/dbraw/zinc/77/35/66/289773566.db2.gz JHVRBLNNQGUORH-ZIBATOQPSA-N 1 3 298.377 3.381 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000422787454 290025014 /nfs/dbraw/zinc/02/50/14/290025014.db2.gz MBYYUFJSPUGTPU-RFBLXINOSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CCCCC1 ZINC000474822216 290049716 /nfs/dbraw/zinc/04/97/16/290049716.db2.gz OQUFCEFAOLWGAZ-BPUTZDHNSA-N 1 3 252.446 3.418 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000089144313 295249193 /nfs/dbraw/zinc/24/91/93/295249193.db2.gz QWYXHCPFRKXDEC-RVMXOQNASA-N 1 3 278.362 3.215 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000423273390 295251259 /nfs/dbraw/zinc/25/12/59/295251259.db2.gz KNFNCMQPGAOJOF-APHBMKBZSA-N 1 3 278.827 3.434 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000422737954 302589244 /nfs/dbraw/zinc/58/92/44/302589244.db2.gz YBLFGCHRPCEEFX-GMIGKAJZSA-N 1 3 275.440 3.324 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000564728898 322040660 /nfs/dbraw/zinc/04/06/60/322040660.db2.gz KWJAAUAEOQECAH-RBUKOAKNSA-N 1 3 286.463 3.249 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000564728898 322040662 /nfs/dbraw/zinc/04/06/62/322040662.db2.gz KWJAAUAEOQECAH-RBUKOAKNSA-N 1 3 286.463 3.249 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565227179 322068128 /nfs/dbraw/zinc/06/81/28/322068128.db2.gz SQKCXFAIUVXLIN-KBPBESRZSA-N 1 3 272.392 3.143 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000565227179 322068131 /nfs/dbraw/zinc/06/81/31/322068131.db2.gz SQKCXFAIUVXLIN-KBPBESRZSA-N 1 3 272.392 3.143 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@H]3CCC[C@@H](N)C3)c[nH]c21 ZINC000565227264 322068182 /nfs/dbraw/zinc/06/81/82/322068182.db2.gz XGMNQDIBPXMNNA-CVEARBPZSA-N 1 3 285.435 3.132 20 0 CGADHO CCc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000565774891 322090615 /nfs/dbraw/zinc/09/06/15/322090615.db2.gz WWJFRSFIRVAAQX-AWEZNQCLSA-N 1 3 278.465 3.132 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000565827651 322092933 /nfs/dbraw/zinc/09/29/33/322092933.db2.gz RVIVPKOXQGCZLH-SDDRHHMPSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000566088414 322103838 /nfs/dbraw/zinc/10/38/38/322103838.db2.gz MNOFRUSIDNJEFE-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000566089570 322104153 /nfs/dbraw/zinc/10/41/53/322104153.db2.gz QNCWTCXWMNYNRV-DRPJVOAASA-N 1 3 287.451 3.468 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000566483486 322125778 /nfs/dbraw/zinc/12/57/78/322125778.db2.gz URYFMMURBRMBIV-FVQBIDKESA-N 1 3 276.424 3.048 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000566483995 322126365 /nfs/dbraw/zinc/12/63/65/322126365.db2.gz ZBUPMDBOJAMMPY-JKSUJKDBSA-N 1 3 285.435 3.453 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(Cl)c1 ZINC000568248091 322200598 /nfs/dbraw/zinc/20/05/98/322200598.db2.gz HKLGOJTYQZSIRV-RBSFLKMASA-N 1 3 296.842 3.357 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(-c3ccncc3)cc2)C1 ZINC000568248472 322200641 /nfs/dbraw/zinc/20/06/41/322200641.db2.gz SDKAARSZPUGUNU-MSOLQXFVSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@H]1c2c(F)cccc2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000568611136 322215765 /nfs/dbraw/zinc/21/57/65/322215765.db2.gz KVUMEGXQKRSQSK-KBPBESRZSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163016 322266475 /nfs/dbraw/zinc/26/64/75/322266475.db2.gz YGZZCJTYYCYGSS-GHMZBOCLSA-N 1 3 284.856 3.148 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582871 322277327 /nfs/dbraw/zinc/27/73/27/322277327.db2.gz MDVDWUSWSQFPTQ-CVEARBPZSA-N 1 3 276.399 3.107 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582871 322277329 /nfs/dbraw/zinc/27/73/29/322277329.db2.gz MDVDWUSWSQFPTQ-CVEARBPZSA-N 1 3 276.399 3.107 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000570972510 322286825 /nfs/dbraw/zinc/28/68/25/322286825.db2.gz FLJWOOMMLLYFSW-KRWDZBQOSA-N 1 3 290.451 3.166 20 0 CGADHO C[C@@]1(C[NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H]1c1ccccc1 ZINC000572617256 322346769 /nfs/dbraw/zinc/34/67/69/322346769.db2.gz XGSOGPCOIKHLQC-NCOADZHNSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000572617256 322346772 /nfs/dbraw/zinc/34/67/72/322346772.db2.gz XGSOGPCOIKHLQC-NCOADZHNSA-N 1 3 258.409 3.040 20 0 CGADHO Cc1cccnc1C(C)(C)CNC1CC[NH+](C(C)C)CC1 ZINC000573024130 322367114 /nfs/dbraw/zinc/36/71/14/322367114.db2.gz RSGJSLHPTBLINW-UHFFFAOYSA-N 1 3 289.467 3.130 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC000573220475 322376429 /nfs/dbraw/zinc/37/64/29/322376429.db2.gz ASHYTOZCOFVAKI-HOTGVXAUSA-N 1 3 276.399 3.008 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000578313987 327314596 /nfs/dbraw/zinc/31/45/96/327314596.db2.gz LWOSATNMXSMTQJ-SJORKVTESA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000578313987 327314598 /nfs/dbraw/zinc/31/45/98/327314598.db2.gz LWOSATNMXSMTQJ-SJORKVTESA-N 1 3 260.425 3.300 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000582311293 328959056 /nfs/dbraw/zinc/95/90/56/328959056.db2.gz ILQZGKSERVYKOC-WQGACYEGSA-N 1 3 280.362 3.202 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000582915204 329288446 /nfs/dbraw/zinc/28/84/46/329288446.db2.gz CNLFCKOEWSLRJN-MHVXSEJMSA-N 1 3 258.409 3.040 20 0 CGADHO CC(C)CCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000582965840 329294925 /nfs/dbraw/zinc/29/49/25/329294925.db2.gz XYKFCGWJUBXLAY-LSDHHAIUSA-N 1 3 278.440 3.327 20 0 CGADHO CCCCOc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000583763679 329475890 /nfs/dbraw/zinc/47/58/90/329475890.db2.gz HUUIFZBMZPCQCF-CVEARBPZSA-N 1 3 276.424 3.225 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2cccc3[nH]ccc32)c2ccccc21 ZINC000576338156 335191173 /nfs/dbraw/zinc/19/11/73/335191173.db2.gz UQMKNBZUHDDHGP-IEBWSBKVSA-N 1 3 291.398 3.445 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527336 335215591 /nfs/dbraw/zinc/21/55/91/335215591.db2.gz XSTYDOCCDGJWKS-DDBAPUKQSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527336 335215592 /nfs/dbraw/zinc/21/55/92/335215592.db2.gz XSTYDOCCDGJWKS-DDBAPUKQSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000576527336 335215594 /nfs/dbraw/zinc/21/55/94/335215594.db2.gz XSTYDOCCDGJWKS-DDBAPUKQSA-N 1 3 272.436 3.308 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(CCOCC2CCCC2)CC1 ZINC000577070258 335295165 /nfs/dbraw/zinc/29/51/65/335295165.db2.gz SUFPDNJEOJMJMP-UHFFFAOYSA-N 1 3 296.499 3.245 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(CCOCC2CCCC2)CC1 ZINC000577070258 335295166 /nfs/dbraw/zinc/29/51/66/335295166.db2.gz SUFPDNJEOJMJMP-UHFFFAOYSA-N 1 3 296.499 3.245 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000581895143 336162454 /nfs/dbraw/zinc/16/24/54/336162454.db2.gz USCKMORHNZFGJY-HZPDHXFCSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000581895143 336162456 /nfs/dbraw/zinc/16/24/56/336162456.db2.gz USCKMORHNZFGJY-HZPDHXFCSA-N 1 3 260.425 3.132 20 0 CGADHO CCS[C@@H]1CCCCN(CCC[NH+]2CCCCC2)C1 ZINC000125170887 535704362 /nfs/dbraw/zinc/70/43/62/535704362.db2.gz FRNTYZYIGYHHFC-MRXNPFEDSA-N 1 3 284.513 3.470 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423392634 534267247 /nfs/dbraw/zinc/26/72/47/534267247.db2.gz XXAZFRZQFFHLSY-IPYPFGDCSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423392634 534267251 /nfs/dbraw/zinc/26/72/51/534267251.db2.gz XXAZFRZQFFHLSY-IPYPFGDCSA-N 1 3 272.392 3.094 20 0 CGADHO c1ccc(C(NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423338727 534481112 /nfs/dbraw/zinc/48/11/12/534481112.db2.gz IMDCMCKTSCGKGM-UHFFFAOYSA-N 1 3 278.399 3.285 20 0 CGADHO NCCC[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000437774860 534615626 /nfs/dbraw/zinc/61/56/26/534615626.db2.gz OEUBXBZAPCSZJD-IBGZPJMESA-N 1 3 282.431 3.169 20 0 CGADHO C[NH+](C)CCCCNCc1cc(Cl)ccc1Cl ZINC000087759226 524053007 /nfs/dbraw/zinc/05/30/07/524053007.db2.gz VSNATQBEBLICFT-UHFFFAOYSA-N 1 3 275.223 3.425 20 0 CGADHO CSC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000150974780 525632681 /nfs/dbraw/zinc/63/26/81/525632681.db2.gz BQOKWDFCHVTZAY-CYBMUJFWSA-N 1 3 270.486 3.125 20 0 CGADHO CSC[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000150974780 525632690 /nfs/dbraw/zinc/63/26/90/525632690.db2.gz BQOKWDFCHVTZAY-CYBMUJFWSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000358298669 526286648 /nfs/dbraw/zinc/28/66/48/526286648.db2.gz LOVJDXLNTHTGIC-UHFFFAOYSA-N 1 3 298.418 3.134 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCSCC(F)(F)F)CC1 ZINC000358298669 526286654 /nfs/dbraw/zinc/28/66/54/526286654.db2.gz LOVJDXLNTHTGIC-UHFFFAOYSA-N 1 3 298.418 3.134 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157441119 527375462 /nfs/dbraw/zinc/37/54/62/527375462.db2.gz AFGQZVQPTVZUOP-IAGOWNOFSA-N 1 3 288.341 3.242 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157441119 527375468 /nfs/dbraw/zinc/37/54/68/527375468.db2.gz AFGQZVQPTVZUOP-IAGOWNOFSA-N 1 3 288.341 3.242 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C(C)(C)C ZINC000423406541 527848536 /nfs/dbraw/zinc/84/85/36/527848536.db2.gz UUIBCFPFTKMLOG-KFWWJZLASA-N 1 3 254.462 3.425 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000359838013 528094628 /nfs/dbraw/zinc/09/46/28/528094628.db2.gz OQCYESHXKMCBET-UHFFFAOYSA-N 1 3 289.467 3.252 20 0 CGADHO CC(C)COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423230339 528161185 /nfs/dbraw/zinc/16/11/85/528161185.db2.gz IZPVKRBXYIFVBC-UONOGXRCSA-N 1 3 264.413 3.109 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccsc1 ZINC000425952827 528222662 /nfs/dbraw/zinc/22/26/62/528222662.db2.gz ULHMUERKVPADEQ-OCCSQVGLSA-N 1 3 254.443 3.377 20 0 CGADHO CC(C)[C@@H](NCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423348420 528585934 /nfs/dbraw/zinc/58/59/34/528585934.db2.gz TTXQPRWSLKVKMS-MRXNPFEDSA-N 1 3 280.362 3.171 20 0 CGADHO CCCc1cccc(C[NH2+]CCCN2CCCC2)c1 ZINC000359079775 528636207 /nfs/dbraw/zinc/63/62/07/528636207.db2.gz NDNNUJBMSMSHMN-UHFFFAOYSA-N 1 3 260.425 3.215 20 0 CGADHO CCCCOc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423225992 528689357 /nfs/dbraw/zinc/68/93/57/528689357.db2.gz PANFIAMMVAGMCL-UONOGXRCSA-N 1 3 264.413 3.253 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424378486 528720756 /nfs/dbraw/zinc/72/07/56/528720756.db2.gz STOBALKJADOWPI-KBRIMQKVSA-N 1 3 276.424 3.396 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423289079 528951425 /nfs/dbraw/zinc/95/14/25/528951425.db2.gz WBMHXMLDZZPBDW-OAHLLOKOSA-N 1 3 264.388 3.384 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423286391 528951820 /nfs/dbraw/zinc/95/18/20/528951820.db2.gz GYLISHKFLXWDFA-OAHLLOKOSA-N 1 3 261.413 3.041 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](Cc1ccccc1)C1CC1 ZINC000423286496 528954584 /nfs/dbraw/zinc/95/45/84/528954584.db2.gz HQPLCFFYZMXEFD-MRXNPFEDSA-N 1 3 260.425 3.115 20 0 CGADHO CC[NH+]1CCC(NCc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000360164044 528986811 /nfs/dbraw/zinc/98/68/11/528986811.db2.gz SWQYGKCAJGILEH-UHFFFAOYSA-N 1 3 285.435 3.359 20 0 CGADHO CC(C)[C@H](N)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414798337 529067187 /nfs/dbraw/zinc/06/71/87/529067187.db2.gz QEQKNYWLQDQBGZ-MRXNPFEDSA-N 1 3 274.433 3.488 20 0 CGADHO CCC1(CN(CCC[NH3+])Cc2ccccc2)CCOCC1 ZINC000359458736 529117597 /nfs/dbraw/zinc/11/75/97/529117597.db2.gz MABNHFIKFPQESC-UHFFFAOYSA-N 1 3 290.451 3.044 20 0 CGADHO CCC1(C[N@H+](CCCN)Cc2ccccc2)CCOCC1 ZINC000359458736 529117599 /nfs/dbraw/zinc/11/75/99/529117599.db2.gz MABNHFIKFPQESC-UHFFFAOYSA-N 1 3 290.451 3.044 20 0 CGADHO CCC1(C[N@@H+](CCCN)Cc2ccccc2)CCOCC1 ZINC000359458736 529117604 /nfs/dbraw/zinc/11/76/04/529117604.db2.gz MABNHFIKFPQESC-UHFFFAOYSA-N 1 3 290.451 3.044 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)O ZINC000364499710 529117687 /nfs/dbraw/zinc/11/76/87/529117687.db2.gz GKAPVXLISSVRAG-KRWDZBQOSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423343593 529158140 /nfs/dbraw/zinc/15/81/40/529158140.db2.gz MBEPZGFKYARAHO-CQSZACIVSA-N 1 3 282.790 3.440 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1cccc(OC)c1 ZINC000359616225 529161799 /nfs/dbraw/zinc/16/17/99/529161799.db2.gz FLWWLZABFJLPTO-QGZVFWFLSA-N 1 3 276.424 3.222 20 0 CGADHO CC[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCC1 ZINC000449061005 529183261 /nfs/dbraw/zinc/18/32/61/529183261.db2.gz HDPLGSYFOQZMBZ-QGZVFWFLSA-N 1 3 260.425 3.417 20 0 CGADHO CCSc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423226662 529247513 /nfs/dbraw/zinc/24/75/13/529247513.db2.gz RQMXCIOVILBFQE-RYUDHWBXSA-N 1 3 252.427 3.187 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423343194 529247718 /nfs/dbraw/zinc/24/77/18/529247718.db2.gz ZLIVAUJKBQDKOZ-LBPRGKRZSA-N 1 3 264.438 3.331 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cc(C)c(C)o2)CC1 ZINC000515237013 535452529 /nfs/dbraw/zinc/45/25/29/535452529.db2.gz BMBFLWIZQTZPBO-CYBMUJFWSA-N 1 3 264.413 3.279 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2ccc(C)cc2C)CC1 ZINC000125245157 535457436 /nfs/dbraw/zinc/45/74/36/535457436.db2.gz WDPNFTQOGNRWSS-UHFFFAOYSA-N 1 3 260.425 3.220 20 0 CGADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000271501623 535803146 /nfs/dbraw/zinc/80/31/46/535803146.db2.gz LVBQFFIEARWAOD-QGZVFWFLSA-N 1 3 273.424 3.076 20 0 CGADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000483494017 536170298 /nfs/dbraw/zinc/17/02/98/536170298.db2.gz TURGONXKWIICHT-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000483494017 536170299 /nfs/dbraw/zinc/17/02/99/536170299.db2.gz TURGONXKWIICHT-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494017 536170301 /nfs/dbraw/zinc/17/03/01/536170301.db2.gz TURGONXKWIICHT-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483494017 536170304 /nfs/dbraw/zinc/17/03/04/536170304.db2.gz TURGONXKWIICHT-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411185 536370901 /nfs/dbraw/zinc/37/09/01/536370901.db2.gz DGGAVEFIFMKWBP-MSOLQXFVSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411185 536370903 /nfs/dbraw/zinc/37/09/03/536370903.db2.gz DGGAVEFIFMKWBP-MSOLQXFVSA-N 1 3 290.426 3.273 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166430052 572817314 /nfs/dbraw/zinc/81/73/14/572817314.db2.gz VBFYZUNPSVOTBA-DLBZAZTESA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166430052 572817316 /nfs/dbraw/zinc/81/73/16/572817316.db2.gz VBFYZUNPSVOTBA-DLBZAZTESA-N 1 3 286.463 3.489 20 0 CGADHO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559966 618833133 /nfs/dbraw/zinc/83/31/33/618833133.db2.gz NRKGLXMKIPUWMD-WMLDXEAASA-N 1 3 290.451 3.049 20 0 CGADHO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559966 618833134 /nfs/dbraw/zinc/83/31/34/618833134.db2.gz NRKGLXMKIPUWMD-WMLDXEAASA-N 1 3 290.451 3.049 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000892668832 618894324 /nfs/dbraw/zinc/89/43/24/618894324.db2.gz REARDEJILLLZMH-WBVHZDCISA-N 1 3 272.436 3.038 20 0 CGADHO CCOCc1ccccc1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925525386 619019949 /nfs/dbraw/zinc/01/99/49/619019949.db2.gz APFLQFWVHYZMBA-IRXDYDNUSA-N 1 3 290.451 3.219 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000925680871 619129091 /nfs/dbraw/zinc/12/90/91/619129091.db2.gz RJKFEXUYFREDQD-MQYQWHSLSA-N 1 3 286.410 3.178 20 0 CGADHO CC1(C)[C@@H](NC[C@H]2CCCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925680871 619129092 /nfs/dbraw/zinc/12/90/92/619129092.db2.gz RJKFEXUYFREDQD-MQYQWHSLSA-N 1 3 286.410 3.178 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC(F)(F)F ZINC000925700148 619150578 /nfs/dbraw/zinc/15/05/78/619150578.db2.gz ZBEUIMVCGWBHPX-YUTCNCBUSA-N 1 3 292.389 3.333 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C/C=C/c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435219 619163044 /nfs/dbraw/zinc/16/30/44/619163044.db2.gz AIYMNXZQYRGAHB-VNHAASDWSA-N 1 3 290.838 3.237 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C/C=C/c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435219 619163046 /nfs/dbraw/zinc/16/30/46/619163046.db2.gz AIYMNXZQYRGAHB-VNHAASDWSA-N 1 3 290.838 3.237 20 0 CGADHO CC(C)([NH3+])CCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000925739329 619212519 /nfs/dbraw/zinc/21/25/19/619212519.db2.gz WBSNGNYOSIVKRR-BBRMVZONSA-N 1 3 294.414 3.010 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925779725 619242428 /nfs/dbraw/zinc/24/24/28/619242428.db2.gz PDQZJTOETWJYTL-PWSUYJOCSA-N 1 3 288.769 3.235 20 0 CGADHO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000317201036 619245441 /nfs/dbraw/zinc/24/54/41/619245441.db2.gz YPVVJJGYCKQNFQ-IKGGRYGDSA-N 1 3 298.434 3.032 20 0 CGADHO CC(C)CN1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000223812322 619260948 /nfs/dbraw/zinc/26/09/48/619260948.db2.gz IEURXIINUUKKBN-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO Fc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000262085383 619700289 /nfs/dbraw/zinc/70/02/89/619700289.db2.gz UHBNIZUWCKYPNM-UHFFFAOYSA-N 1 3 282.790 3.055 20 0 CGADHO C[C@@H](CC[NH2+]C1CC(c2ccc(F)cc2F)C1)N(C)C ZINC000895429906 619825156 /nfs/dbraw/zinc/82/51/56/619825156.db2.gz YNKNALPBBAGWMA-DCBWTQNWSA-N 1 3 282.378 3.141 20 0 CGADHO CCCSC[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000895479549 619836430 /nfs/dbraw/zinc/83/64/30/619836430.db2.gz PXHATTGWKXZHRG-GOEBONIOSA-N 1 3 284.513 3.230 20 0 CGADHO CC[C@H]1C[C@@H](C[NH+]2CCC(CC)(N3CCC3)CC2)CCO1 ZINC000895828505 619890368 /nfs/dbraw/zinc/89/03/68/619890368.db2.gz VPUYFPJKQVUVQX-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO COCCCC1(CN2CCC(C)([NH+]3CCC3)CC2)CCC1 ZINC000896025883 619930837 /nfs/dbraw/zinc/93/08/37/619930837.db2.gz VRJDCNXUYDSWBF-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@@H](CN[C@@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C ZINC000896720990 620049537 /nfs/dbraw/zinc/04/95/37/620049537.db2.gz KTRLMFNGHZMSMO-HOCLYGCPSA-N 1 3 277.456 3.346 20 0 CGADHO C[C@@H]1COC[C@@H](C)C1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925205477 620229565 /nfs/dbraw/zinc/22/95/65/620229565.db2.gz IYPQQZMDQQQVIO-HUUCEWRRSA-N 1 3 294.483 3.044 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000927024315 620564293 /nfs/dbraw/zinc/56/42/93/620564293.db2.gz GYYBAXLPIZATFO-RYQLBKOJSA-N 1 3 296.499 3.170 20 0 CGADHO CN(CCCCCC[NH3+])Cc1ccccc1Cl ZINC000042437620 620872401 /nfs/dbraw/zinc/87/24/01/620872401.db2.gz XRHOZDOQXDOCQV-UHFFFAOYSA-N 1 3 254.805 3.291 20 0 CGADHO [NH3+]CCCC[C@H](N[C@H]1C=CCC1)c1ccc(F)cc1F ZINC000902391617 621302238 /nfs/dbraw/zinc/30/22/38/621302238.db2.gz HLONYPSGZOCLNP-BBRMVZONSA-N 1 3 280.362 3.443 20 0 CGADHO [NH3+]CCCC[C@@H](N[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000902393977 621302877 /nfs/dbraw/zinc/30/28/77/621302877.db2.gz TUOLGIBGRNDBJZ-CABCVRRESA-N 1 3 280.362 3.277 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)NCC1([NH3+])CC1 ZINC000902414650 621324314 /nfs/dbraw/zinc/32/43/14/621324314.db2.gz YVWDTOUSTORTLK-SECBINFHSA-N 1 3 273.207 3.005 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903126722 621590493 /nfs/dbraw/zinc/59/04/93/621590493.db2.gz UQBIWGDWRQFKHA-IAGOWNOFSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCC[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903381867 621723361 /nfs/dbraw/zinc/72/33/61/621723361.db2.gz AIUWZYJUJBJJTI-PVAVHDDUSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910527 621832276 /nfs/dbraw/zinc/83/22/76/621832276.db2.gz NBXDWPRTZYLDJQ-RDJZCZTQSA-N 1 3 296.405 3.314 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910527 621832279 /nfs/dbraw/zinc/83/22/79/621832279.db2.gz NBXDWPRTZYLDJQ-RDJZCZTQSA-N 1 3 296.405 3.314 20 0 CGADHO Clc1cc2c(s1)CCN(CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932438 621834586 /nfs/dbraw/zinc/83/45/86/621834586.db2.gz RHWUTSPGQSGLBC-VGPLMAKISA-N 1 3 296.867 3.290 20 0 CGADHO CC(C)Cc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903955816 621843276 /nfs/dbraw/zinc/84/32/76/621843276.db2.gz ZMNPHYGYSQIQMW-INIZCTEOSA-N 1 3 296.405 3.220 20 0 CGADHO C[C@H](CN(C)C[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904315402 621904433 /nfs/dbraw/zinc/90/44/33/621904433.db2.gz BOZUFDVOZVIZSC-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342223 621909717 /nfs/dbraw/zinc/90/97/17/621909717.db2.gz ZULRIRNOMKPEQQ-SJORKVTESA-N 1 3 289.467 3.100 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342223 621909722 /nfs/dbraw/zinc/90/97/22/621909722.db2.gz ZULRIRNOMKPEQQ-SJORKVTESA-N 1 3 289.467 3.100 20 0 CGADHO C[NH+](C)Cc1cccc(-c2ccc(F)c3c2CCNC3)c1 ZINC000904758438 621965067 /nfs/dbraw/zinc/96/50/67/621965067.db2.gz OBDHPOUAOSEVCJ-UHFFFAOYSA-N 1 3 284.378 3.200 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289614 626143245 /nfs/dbraw/zinc/14/32/45/626143245.db2.gz RAPFLZTYFWKDIG-UKRRQHHQSA-N 1 3 250.430 3.016 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289614 626143247 /nfs/dbraw/zinc/14/32/47/626143247.db2.gz RAPFLZTYFWKDIG-UKRRQHHQSA-N 1 3 250.430 3.016 20 0 CGADHO COc1ccc2c(c1)nccc2N(C)CC1CC[NH+](C)CC1 ZINC000765491206 627253389 /nfs/dbraw/zinc/25/33/89/627253389.db2.gz VPJQREVCXIVMJA-UHFFFAOYSA-N 1 3 299.418 3.021 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000767423622 627407524 /nfs/dbraw/zinc/40/75/24/627407524.db2.gz CTCNJLPKOBJXEJ-OAHLLOKOSA-N 1 3 264.388 3.135 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCN2C)Cc2ccccc21 ZINC000779460499 628414622 /nfs/dbraw/zinc/41/46/22/628414622.db2.gz QIRHGHJAUOVFBG-NVXWUHKLSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCN2C)Cc2ccccc21 ZINC000779460499 628414623 /nfs/dbraw/zinc/41/46/23/628414623.db2.gz QIRHGHJAUOVFBG-NVXWUHKLSA-N 1 3 272.436 3.480 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000783567658 628726674 /nfs/dbraw/zinc/72/66/74/628726674.db2.gz QNJSNPGXSYBLDF-UHFFFAOYSA-N 1 3 283.419 3.197 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790047656 629179933 /nfs/dbraw/zinc/17/99/33/629179933.db2.gz ANXNEISTSJZVQI-WMZOPIPTSA-N 1 3 286.463 3.426 20 0 CGADHO CS[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000865733607 630555226 /nfs/dbraw/zinc/55/52/26/630555226.db2.gz NHKGKGXDXLOXPB-KOMQPUFPSA-N 1 3 282.497 3.267 20 0 CGADHO CS[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000865733607 630555231 /nfs/dbraw/zinc/55/52/31/630555231.db2.gz NHKGKGXDXLOXPB-KOMQPUFPSA-N 1 3 282.497 3.267 20 0 CGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817947742 632244176 /nfs/dbraw/zinc/24/41/76/632244176.db2.gz PSMLCUNSQRTFLU-COXVUDFISA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705350 633234151 /nfs/dbraw/zinc/23/41/51/633234151.db2.gz YLKHUIPRBUGUMQ-PBHICJAKSA-N 1 3 260.425 3.445 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705350 633234157 /nfs/dbraw/zinc/23/41/57/633234157.db2.gz YLKHUIPRBUGUMQ-PBHICJAKSA-N 1 3 260.425 3.445 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)n1 ZINC000866710299 633236139 /nfs/dbraw/zinc/23/61/39/633236139.db2.gz XTRLEJORVKRJJK-SFHVURJKSA-N 1 3 289.467 3.204 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872033902 633953202 /nfs/dbraw/zinc/95/32/02/633953202.db2.gz JZYNFXGCKHRXFX-SJORKVTESA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc2c(ccc(C)c2C[N@@H+]2CCCO[C@@H](CN)C2)c1 ZINC000872145892 634064439 /nfs/dbraw/zinc/06/44/39/634064439.db2.gz YMYWOLSYFFKAOB-KRWDZBQOSA-N 1 3 298.430 3.006 20 0 CGADHO Cc1ccc2c(ccc(C)c2C[N@H+]2CCCO[C@@H](CN)C2)c1 ZINC000872145892 634064441 /nfs/dbraw/zinc/06/44/41/634064441.db2.gz YMYWOLSYFFKAOB-KRWDZBQOSA-N 1 3 298.430 3.006 20 0 CGADHO Cc1ccc2c(ccc(C)c2CN2CCCO[C@@H](C[NH3+])C2)c1 ZINC000872145892 634064443 /nfs/dbraw/zinc/06/44/43/634064443.db2.gz YMYWOLSYFFKAOB-KRWDZBQOSA-N 1 3 298.430 3.006 20 0 CGADHO C[C@H](CCCC(F)(F)F)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234146 634295551 /nfs/dbraw/zinc/29/55/51/634295551.db2.gz CCGMRIISORWRMS-NEPJUHHUSA-N 1 3 280.378 3.475 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCCC[C@H]1CN)C(F)(F)F ZINC000873247111 634299563 /nfs/dbraw/zinc/29/95/63/634299563.db2.gz ILIGQDYXXVCRTK-RYUDHWBXSA-N 1 3 280.378 3.462 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531757 635075605 /nfs/dbraw/zinc/07/56/05/635075605.db2.gz QYVLDYYFFRDFKR-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531757 635075609 /nfs/dbraw/zinc/07/56/09/635075609.db2.gz QYVLDYYFFRDFKR-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cc2cnccc2o1 ZINC000879712266 635840171 /nfs/dbraw/zinc/84/01/71/635840171.db2.gz IMNSTKOWRCVIIS-DZGCQCFKSA-N 1 3 287.407 3.353 20 0 CGADHO C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258794 635959753 /nfs/dbraw/zinc/95/97/53/635959753.db2.gz JLXOLGNAZLJGLG-ZIAGYGMSSA-N 1 3 295.377 3.028 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC3(CC3)C2)C[C@@H](C)O1 ZINC000883203960 636583266 /nfs/dbraw/zinc/58/32/66/636583266.db2.gz PHIHGHRVMLPTOV-ZACQAIPSSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1F)C1CC[NH+](C)CC1 ZINC000883375939 636715792 /nfs/dbraw/zinc/71/57/92/636715792.db2.gz CCLHUTDEAGVYOD-DOPJRALCSA-N 1 3 290.426 3.332 20 0 CGADHO C[C@H](N[C@H]1c2ccccc2CC[C@@H]1F)C1CC[NH+](C)CC1 ZINC000883375940 636716011 /nfs/dbraw/zinc/71/60/11/636716011.db2.gz CCLHUTDEAGVYOD-KKXDTOCCSA-N 1 3 290.426 3.332 20 0 CGADHO C[C@](C[NH3+])(NC[C@@H]1CCC[C@H](c2ccccc2)O1)C1CC1 ZINC000883418368 636749605 /nfs/dbraw/zinc/74/96/05/636749605.db2.gz GATHJTVOYGFTTC-RCCFBDPRSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1CN ZINC000883433639 636752943 /nfs/dbraw/zinc/75/29/43/636752943.db2.gz VNYAAMNNIGRCGW-RQJABVFESA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1CN ZINC000883433639 636752948 /nfs/dbraw/zinc/75/29/48/636752948.db2.gz VNYAAMNNIGRCGW-RQJABVFESA-N 1 3 274.399 3.117 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C(C)(C)C(F)F ZINC000850439479 637064452 /nfs/dbraw/zinc/06/44/52/637064452.db2.gz KSPQNEOAYCTFTO-QJPTWQEYSA-N 1 3 262.388 3.129 20 0 CGADHO Cc1coc(CNCCC2CC[NH+](C(C)C)CC2)c1 ZINC000886176688 637448586 /nfs/dbraw/zinc/44/85/86/637448586.db2.gz IXDRJCSKJIPTGX-UHFFFAOYSA-N 1 3 264.413 3.188 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCSC(C)(C)C)CC1 ZINC000886718037 637671113 /nfs/dbraw/zinc/67/11/13/637671113.db2.gz PHZZTVOFCUTJAY-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924688144 638388953 /nfs/dbraw/zinc/38/89/53/638388953.db2.gz QYZYZVJRSXIUEK-KGLIPLIRSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924688144 638388955 /nfs/dbraw/zinc/38/89/55/638388955.db2.gz QYZYZVJRSXIUEK-KGLIPLIRSA-N 1 3 281.469 3.448 20 0 CGADHO CC[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(C)c1 ZINC000925575023 638534555 /nfs/dbraw/zinc/53/45/55/638534555.db2.gz FGNMXSGHFWXXPJ-PVAVHDDUSA-N 1 3 288.435 3.012 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC/C=C\c2ccccc2)C1 ZINC000925614289 638545530 /nfs/dbraw/zinc/54/55/30/638545530.db2.gz XQRJTAXIDHWCOM-PDTSHOSPSA-N 1 3 258.409 3.195 20 0 CGADHO CC(C)OC1CCC(N[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925622242 638547924 /nfs/dbraw/zinc/54/79/24/638547924.db2.gz MNRHPVDULVCNKN-KUQKPQIMSA-N 1 3 290.451 3.401 20 0 CGADHO C1[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C12CCCC2 ZINC000925653773 638558026 /nfs/dbraw/zinc/55/80/26/638558026.db2.gz ZNHQCQNXALEGBU-JYJNAYRXSA-N 1 3 262.441 3.077 20 0 CGADHO CC[C@@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000925696281 638571064 /nfs/dbraw/zinc/57/10/64/638571064.db2.gz KDIUIAFCWDBGHH-FVCCEPFGSA-N 1 3 292.389 3.331 20 0 CGADHO CCC1([NH3+])CCN([C@H](Cc2ccccc2)C2CC2)CC1 ZINC000925756976 638600075 /nfs/dbraw/zinc/60/00/75/638600075.db2.gz QOIFQUMKSLMHPQ-QGZVFWFLSA-N 1 3 272.436 3.211 20 0 CGADHO CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CNCCC2(F)F)C1 ZINC000925780809 638611889 /nfs/dbraw/zinc/61/18/89/638611889.db2.gz HAHSUMLHDQKBNJ-AAEUAGOBSA-N 1 3 298.377 3.128 20 0 CGADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc([O-])cc(F)c1 ZINC000926486451 638776487 /nfs/dbraw/zinc/77/64/87/638776487.db2.gz GOSGEGMVDBGJSD-CQSZACIVSA-N 1 3 294.414 3.448 20 0 CGADHO C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCCN(CC2CC2)C1 ZINC000926739724 638805885 /nfs/dbraw/zinc/80/58/85/638805885.db2.gz XXFGGPUKRWAFKD-XYTVBORESA-N 1 3 294.508 3.125 20 0 CGADHO CN(C)C1(C)CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000931351000 639138757 /nfs/dbraw/zinc/13/87/57/639138757.db2.gz DKSIPULORPAVGL-KRWDZBQOSA-N 1 3 272.436 3.480 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247213898 640712612 /nfs/dbraw/zinc/71/26/12/640712612.db2.gz XDZQHIOYXWJFKG-KGLIPLIRSA-N 1 3 272.502 3.228 20 0 CGADHO Cc1nc(N2CC[NH2+][C@H](c3ccccc3)C2)cc2[nH]ccc21 ZINC001157764836 805865324 /nfs/dbraw/zinc/86/53/24/805865324.db2.gz IHEIYYBRTKEDOL-KRWDZBQOSA-N 1 3 292.386 3.022 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC001254208169 806364840 /nfs/dbraw/zinc/36/48/40/806364840.db2.gz WPSYXDVECSLSGG-UHFFFAOYSA-N 1 3 262.388 3.276 20 0 CGADHO COc1ccc(C(C)(C)N[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254504281 806422677 /nfs/dbraw/zinc/42/26/77/806422677.db2.gz SUVNRPYWAHFKTA-OAHLLOKOSA-N 1 3 276.424 3.004 20 0 CGADHO COc1ccc(C(C)(C)N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254504281 806422684 /nfs/dbraw/zinc/42/26/84/806422684.db2.gz SUVNRPYWAHFKTA-OAHLLOKOSA-N 1 3 276.424 3.004 20 0 CGADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H]1CCC[N@H+](C)CC1 ZINC001254507195 806428585 /nfs/dbraw/zinc/42/85/85/806428585.db2.gz JIYVKBFFUMORIC-GOEBONIOSA-N 1 3 298.434 3.227 20 0 CGADHO C[C@H](N)c1ncc(-c2ccccc2)n1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254507195 806428592 /nfs/dbraw/zinc/42/85/92/806428592.db2.gz JIYVKBFFUMORIC-GOEBONIOSA-N 1 3 298.434 3.227 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC(Oc3ccccc3)CC2)CC1 ZINC001254516761 806436381 /nfs/dbraw/zinc/43/63/81/806436381.db2.gz OVCVDFASPSLRKN-MRXNPFEDSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC(Oc3ccccc3)CC2)CC1 ZINC001254516761 806436386 /nfs/dbraw/zinc/43/63/86/806436386.db2.gz OVCVDFASPSLRKN-MRXNPFEDSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524606 806437694 /nfs/dbraw/zinc/43/76/94/806437694.db2.gz XQIBYFOZBCSARA-IRXDYDNUSA-N 1 3 273.424 3.093 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524606 806437699 /nfs/dbraw/zinc/43/76/99/806437699.db2.gz XQIBYFOZBCSARA-IRXDYDNUSA-N 1 3 273.424 3.093 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524783 806439927 /nfs/dbraw/zinc/43/99/27/806439927.db2.gz ZIKIQYDVPXAAHJ-CABCVRRESA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@H](N2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524783 806439935 /nfs/dbraw/zinc/43/99/35/806439935.db2.gz ZIKIQYDVPXAAHJ-CABCVRRESA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@H]([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530279 806441322 /nfs/dbraw/zinc/44/13/22/806441322.db2.gz WISJVGSVCZECPN-PCKAHOCUSA-N 1 3 268.420 3.075 20 0 CGADHO CN1CCC[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001254530279 806441328 /nfs/dbraw/zinc/44/13/28/806441328.db2.gz WISJVGSVCZECPN-PCKAHOCUSA-N 1 3 268.420 3.075 20 0 CGADHO CSCCN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410570 806635102 /nfs/dbraw/zinc/63/51/02/806635102.db2.gz ZEWIQWJQUZEOEV-QGZVFWFLSA-N 1 3 292.492 3.336 20 0 CGADHO CSCCN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410570 806635110 /nfs/dbraw/zinc/63/51/10/806635110.db2.gz ZEWIQWJQUZEOEV-QGZVFWFLSA-N 1 3 292.492 3.336 20 0 CGADHO Cc1ccc(N2C[C@H]([NH3+])Cc3ccccc32)c(CN(C)C)c1 ZINC001162853134 806675242 /nfs/dbraw/zinc/67/52/42/806675242.db2.gz BRLPXUQWNNAHOJ-QGZVFWFLSA-N 1 3 295.430 3.078 20 0 CGADHO CCCOc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000037996979 798883272 /nfs/dbraw/zinc/88/32/72/798883272.db2.gz ZLVLVORMYWEQKN-INIZCTEOSA-N 1 3 288.435 3.049 20 0 CGADHO CCCOc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000037996980 798884019 /nfs/dbraw/zinc/88/40/19/798884019.db2.gz ZLVLVORMYWEQKN-MRXNPFEDSA-N 1 3 288.435 3.049 20 0 CGADHO c1csc([C@H](NC2CC[NH2+]CC2)C2CCCC2)c1 ZINC000038041347 798885203 /nfs/dbraw/zinc/88/52/03/798885203.db2.gz AMKKMHFNHFVVLP-OAHLLOKOSA-N 1 3 264.438 3.321 20 0 CGADHO c1csc([C@H]([NH2+]C2CCNCC2)C2CCCC2)c1 ZINC000038041347 798885210 /nfs/dbraw/zinc/88/52/10/798885210.db2.gz AMKKMHFNHFVVLP-OAHLLOKOSA-N 1 3 264.438 3.321 20 0 CGADHO C1=CO[C@H](CNCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000050267470 798894837 /nfs/dbraw/zinc/89/48/37/798894837.db2.gz NKZUETKUSMQYMS-KRWDZBQOSA-N 1 3 292.467 3.458 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690343 806706447 /nfs/dbraw/zinc/70/64/47/806706447.db2.gz UPFJAJQVQBPJNT-NEPJUHHUSA-N 1 3 266.351 3.167 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690343 806706453 /nfs/dbraw/zinc/70/64/53/806706453.db2.gz UPFJAJQVQBPJNT-NEPJUHHUSA-N 1 3 266.351 3.167 20 0 CGADHO Cc1cc(C)nc(NC2CCC(C[NH+](C)C)CC2)c1 ZINC001163296836 806737771 /nfs/dbraw/zinc/73/77/71/806737771.db2.gz WHNDOKZHNUDCCB-UHFFFAOYSA-N 1 3 261.413 3.231 20 0 CGADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000383997633 799411007 /nfs/dbraw/zinc/41/10/07/799411007.db2.gz KIMYTSIFYLLKRW-CYBMUJFWSA-N 1 3 286.341 3.266 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000388660725 799454889 /nfs/dbraw/zinc/45/48/89/799454889.db2.gz AVQZUUXDQYXPBN-NSHDSACASA-N 1 3 284.806 3.472 20 0 CGADHO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000687964934 799742623 /nfs/dbraw/zinc/74/26/23/799742623.db2.gz YQSWIJJXMDNHFZ-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000687964934 799742630 /nfs/dbraw/zinc/74/26/30/799742630.db2.gz YQSWIJJXMDNHFZ-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)C[N@H+](Cc1cc2c(s1)CCNC2)C(C)C ZINC000687980931 799743025 /nfs/dbraw/zinc/74/30/25/799743025.db2.gz YSHYIENWLAUJAF-UHFFFAOYSA-N 1 3 266.454 3.260 20 0 CGADHO CC(C)C[N@@H+](Cc1cc2c(s1)CCNC2)C(C)C ZINC000687980931 799743028 /nfs/dbraw/zinc/74/30/28/799743028.db2.gz YSHYIENWLAUJAF-UHFFFAOYSA-N 1 3 266.454 3.260 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3ccc(Cl)nc3)CC2)CC1 ZINC000691936833 799789171 /nfs/dbraw/zinc/78/91/71/799789171.db2.gz KBPALNXAMZKORO-UHFFFAOYSA-N 1 3 293.842 3.043 20 0 CGADHO ClC(Cl)=CCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692911432 799803094 /nfs/dbraw/zinc/80/30/94/799803094.db2.gz CMIKPVWIGIDPBZ-GFCCVEGCSA-N 1 3 277.239 3.017 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001255940908 806789707 /nfs/dbraw/zinc/78/97/07/806789707.db2.gz IOFCXHHOIMHPGL-QWHCGFSZSA-N 1 3 262.388 3.132 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708848591 799996771 /nfs/dbraw/zinc/99/67/71/799996771.db2.gz FZYUHGDTKXQEBN-BBWFWOEESA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708848591 799996777 /nfs/dbraw/zinc/99/67/77/799996777.db2.gz FZYUHGDTKXQEBN-BBWFWOEESA-N 1 3 264.457 3.419 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1cc(F)cc(F)c1 ZINC001255951003 806794854 /nfs/dbraw/zinc/79/48/54/806794854.db2.gz LNBSSZNQDROGQQ-ZDUSSCGKSA-N 1 3 284.394 3.217 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC001255951003 806794858 /nfs/dbraw/zinc/79/48/58/806794858.db2.gz LNBSSZNQDROGQQ-ZDUSSCGKSA-N 1 3 284.394 3.217 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709806491 800018099 /nfs/dbraw/zinc/01/80/99/800018099.db2.gz DJELYGMQCQJXRV-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709806491 800018102 /nfs/dbraw/zinc/01/81/02/800018102.db2.gz DJELYGMQCQJXRV-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850057 800020708 /nfs/dbraw/zinc/02/07/08/800020708.db2.gz MWDQSQNKOVSVRZ-HLLBOEOZSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850057 800020719 /nfs/dbraw/zinc/02/07/19/800020719.db2.gz MWDQSQNKOVSVRZ-HLLBOEOZSA-N 1 3 264.457 3.277 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2ncccc2C)CC1 ZINC001255953626 806796991 /nfs/dbraw/zinc/79/69/91/806796991.db2.gz UUVSLZKIVCLZBC-MRXNPFEDSA-N 1 3 289.467 3.132 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2ccc(C)cn2)CC1 ZINC001255953696 806797236 /nfs/dbraw/zinc/79/72/36/806797236.db2.gz NADSUZLDTJYAJH-MRXNPFEDSA-N 1 3 289.467 3.132 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723574435 800330149 /nfs/dbraw/zinc/33/01/49/800330149.db2.gz RBOMERWQJXZEES-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCN1C ZINC000822123877 800460079 /nfs/dbraw/zinc/46/00/79/800460079.db2.gz GURIPYNJWOZIJQ-DLBZAZTESA-N 1 3 260.425 3.082 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477044 807175148 /nfs/dbraw/zinc/17/51/48/807175148.db2.gz ICXMFQRQGGZBMX-NXOAAHMSSA-N 1 3 266.473 3.475 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477044 807175152 /nfs/dbraw/zinc/17/51/52/807175152.db2.gz ICXMFQRQGGZBMX-NXOAAHMSSA-N 1 3 266.473 3.475 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925776906 800633903 /nfs/dbraw/zinc/63/39/03/800633903.db2.gz AEBVAPAXWIMZSG-UONOGXRCSA-N 1 3 282.378 3.199 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC001256561596 806916298 /nfs/dbraw/zinc/91/62/98/806916298.db2.gz ATKDDGSMDCHPGO-KRWDZBQOSA-N 1 3 287.451 3.312 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682272 806947605 /nfs/dbraw/zinc/94/76/05/806947605.db2.gz ILAZXRXFJRSOLC-AOCRQIFASA-N 1 3 296.499 3.434 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575805 807207921 /nfs/dbraw/zinc/20/79/21/807207921.db2.gz IDVSDBHWOLIHFI-CABCVRRESA-N 1 3 254.462 3.332 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)CC(C)(C)C)C1 ZINC001167575805 807207927 /nfs/dbraw/zinc/20/79/27/807207927.db2.gz IDVSDBHWOLIHFI-CABCVRRESA-N 1 3 254.462 3.332 20 0 CGADHO Cc1cc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)[nH]n1 ZINC001116075222 802297868 /nfs/dbraw/zinc/29/78/68/802297868.db2.gz CHHALPVWNLPSOD-HNNXBMFYSA-N 1 3 298.434 3.033 20 0 CGADHO FC(F)CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001119604498 802683426 /nfs/dbraw/zinc/68/34/26/802683426.db2.gz IFSYPOURPXOZCR-UHFFFAOYSA-N 1 3 274.399 3.418 20 0 CGADHO Cc1cccc(C(=[NH2+])N[C@@H]2CCCN(C3CCCC3)C2)c1 ZINC001256905458 807007989 /nfs/dbraw/zinc/00/79/89/807007989.db2.gz RPKJZXUMIWMIFP-MRXNPFEDSA-N 1 3 285.435 3.317 20 0 CGADHO CC[C@@H]1CC(NC2Cc3ccccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246073873 804111943 /nfs/dbraw/zinc/11/19/43/804111943.db2.gz LDAWDTVNNKBKNI-HZPDHXFCSA-N 1 3 272.436 3.053 20 0 CGADHO Cc1ccccc1CCN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246074629 804114908 /nfs/dbraw/zinc/11/49/08/804114908.db2.gz FDXPXUFKFVRUAG-DLBZAZTESA-N 1 3 274.452 3.294 20 0 CGADHO C[C@@]1([NH2+]C2CCC3(CCCCC3)CC2)CCNC1 ZINC001246092419 804123556 /nfs/dbraw/zinc/12/35/56/804123556.db2.gz CCCSCLIIZOMOFO-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@]1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246096774 804128835 /nfs/dbraw/zinc/12/88/35/804128835.db2.gz FYLLNRRPYYIUOU-SJORKVTESA-N 1 3 292.854 3.177 20 0 CGADHO C[C@@]1([NH2+][C@H]2CCCC3(CCCCC3)C2)CCNC1 ZINC001246097019 804129729 /nfs/dbraw/zinc/12/97/29/804129729.db2.gz MKFRDDQUDMBUDV-LSDHHAIUSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@H]1C ZINC001246098141 804129994 /nfs/dbraw/zinc/12/99/94/804129994.db2.gz PHZOHSUTACKZJA-NXHRZFHOSA-N 1 3 274.452 3.231 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@]2(C)CCNC2)CC1 ZINC001246099753 804131830 /nfs/dbraw/zinc/13/18/30/804131830.db2.gz YRPXWVQVPGCEOA-XUJLQICISA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246098984 804132389 /nfs/dbraw/zinc/13/23/89/804132389.db2.gz QTXKFRXIKSYKNC-RDBSUJKOSA-N 1 3 296.455 3.284 20 0 CGADHO C[C@@]1(CN[C@@H]2CSc3ccccc3C2)CCCC[NH2+]C1 ZINC001246102125 804134801 /nfs/dbraw/zinc/13/48/01/804134801.db2.gz RFSAFJBIOVNNDA-DOTOQJQBSA-N 1 3 290.476 3.073 20 0 CGADHO C[NH2+]CCCN[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246105010 804137435 /nfs/dbraw/zinc/13/74/35/804137435.db2.gz AMRRCZPWBLDXRW-JTQLQIEISA-N 1 3 275.223 3.124 20 0 CGADHO CC(C)C1CCC(NC[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116966 804147977 /nfs/dbraw/zinc/14/79/77/804147977.db2.gz XZHHONGYNWKHQJ-UYSNPLJNSA-N 1 3 270.436 3.273 20 0 CGADHO CC1(C)CCC[C@H](NC[C@@]2(F)CCCC[NH2+]C2)C1 ZINC001246116162 804148237 /nfs/dbraw/zinc/14/82/37/804148237.db2.gz VBPSDECQVMIDIJ-DZGCQCFKSA-N 1 3 256.409 3.027 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119073 804151842 /nfs/dbraw/zinc/15/18/42/804151842.db2.gz AWNVFEPWPPCSNH-ULQDDVLXSA-N 1 3 258.409 3.054 20 0 CGADHO CCCC[C@H](CC(C)C)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246129340 804156223 /nfs/dbraw/zinc/15/62/23/804156223.db2.gz FMXMFBOBXIELDI-OWCLPIDISA-N 1 3 252.446 3.466 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+][C@H]1COCCC12CNC2 ZINC001246138745 804161823 /nfs/dbraw/zinc/16/18/23/804161823.db2.gz OHYUWEDZRAGYOL-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CCCCCC[C@@H](CCC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246138745 804161829 /nfs/dbraw/zinc/16/18/29/804161829.db2.gz OHYUWEDZRAGYOL-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CCCCC[C@@H](CC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246140053 804163301 /nfs/dbraw/zinc/16/33/01/804163301.db2.gz ABGVJMQECSFJJI-ZACQAIPSSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1ccc(F)c(CN[C@@H]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001246161840 804179363 /nfs/dbraw/zinc/17/93/63/804179363.db2.gz CFLUXAGBDCGILQ-CYBMUJFWSA-N 1 3 294.389 3.285 20 0 CGADHO C[NH2+]C1CCC(NCc2c(Cl)ccc(C)c2F)CC1 ZINC001246162502 804179580 /nfs/dbraw/zinc/17/95/80/804179580.db2.gz ZFLFNSYRPLUTTP-UHFFFAOYSA-N 1 3 284.806 3.408 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N[C@H](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246179398 804193326 /nfs/dbraw/zinc/19/33/26/804193326.db2.gz MWATUNAVCIGRCC-COXVUDFISA-N 1 3 278.415 3.123 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)N[C@H]1C[C@H]([NH3+])C1 ZINC001246190664 804200325 /nfs/dbraw/zinc/20/03/25/804200325.db2.gz RBODTEJAVJIQMA-FBIMIBRVSA-N 1 3 288.769 3.019 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[C@H](N)C1 ZINC001246190664 804200333 /nfs/dbraw/zinc/20/03/33/804200333.db2.gz RBODTEJAVJIQMA-FBIMIBRVSA-N 1 3 288.769 3.019 20 0 CGADHO Cc1ccc(SC[C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1 ZINC001246201928 804206616 /nfs/dbraw/zinc/20/66/16/804206616.db2.gz YUKCSRPADDBIQV-CABCVRRESA-N 1 3 278.465 3.065 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246208065 804206716 /nfs/dbraw/zinc/20/67/16/804206716.db2.gz AWKJZZHSKOUMKR-ZFWWWQNUSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCCC2)CCN1 ZINC001246238643 804230514 /nfs/dbraw/zinc/23/05/14/804230514.db2.gz QKTCXXCPKPEJES-ZBFHGGJFSA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CCN1 ZINC001246239713 804231531 /nfs/dbraw/zinc/23/15/31/804231531.db2.gz SLOIEEWOZFXAID-GUDVDZBRSA-N 1 3 286.463 3.444 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC001246240591 804231812 /nfs/dbraw/zinc/23/18/12/804231812.db2.gz RPCDWLGERGJIHU-HZPDHXFCSA-N 1 3 252.446 3.467 20 0 CGADHO C(C[NH2+][C@@H]1CCNC2(CCC2)C1)CC1CCCC1 ZINC001246241907 804234141 /nfs/dbraw/zinc/23/41/41/804234141.db2.gz ZQNMBCYBOFANML-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)=CCC/C(C)=C/CN[C@@H]1CCC[NH2+]CC1 ZINC001246243317 804234815 /nfs/dbraw/zinc/23/48/15/804234815.db2.gz IZLMHRAGQRMFAJ-HTRKUNOGSA-N 1 3 250.430 3.411 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CCN1 ZINC001246254305 804239220 /nfs/dbraw/zinc/23/92/20/804239220.db2.gz GNUQZFXTXUICDN-UYJHQMFVSA-N 1 3 250.430 3.075 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246270324 804247341 /nfs/dbraw/zinc/24/73/41/804247341.db2.gz LVXWEZCHVYNMFU-ZJPYXAASSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246279166 804254729 /nfs/dbraw/zinc/25/47/29/804254729.db2.gz NWKTXBOBTHFGPI-BBRMVZONSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CCC[C@H]1[NH3+] ZINC001246306825 804270087 /nfs/dbraw/zinc/27/00/87/804270087.db2.gz ZCHHYCOJIRBSAW-FZZIBODNSA-N 1 3 287.234 3.394 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246311617 804274380 /nfs/dbraw/zinc/27/43/80/804274380.db2.gz QGSZUWGTQAURRU-CVEARBPZSA-N 1 3 280.843 3.160 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246330639 804286158 /nfs/dbraw/zinc/28/61/58/804286158.db2.gz DLCNOYXRFGNWQR-IRXDYDNUSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246333569 804288160 /nfs/dbraw/zinc/28/81/60/804288160.db2.gz KBMBYKOARJXUQT-KBUPBQIOSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246333996 804289427 /nfs/dbraw/zinc/28/94/27/804289427.db2.gz TYGUKZDETDTMBY-RISCZKNCSA-N 1 3 286.872 3.394 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246343601 804293862 /nfs/dbraw/zinc/29/38/62/804293862.db2.gz NDSKWKLSNNRIEZ-CHWSQXEVSA-N 1 3 298.833 3.450 20 0 CGADHO Cc1ccc(Cl)c(CCNC2C[C@H](C)[NH2+][C@@H](C)C2)c1F ZINC001246342270 804294878 /nfs/dbraw/zinc/29/48/78/804294878.db2.gz GVEYSNZAWZSAES-RYUDHWBXSA-N 1 3 298.833 3.449 20 0 CGADHO C[C@H](Cc1cccc(Br)c1)[NH2+]C(C)(C)CCN ZINC001246362003 804305402 /nfs/dbraw/zinc/30/54/02/804305402.db2.gz KHKQGQMJMJCYFP-LLVKDONJSA-N 1 3 299.256 3.097 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246366052 804305498 /nfs/dbraw/zinc/30/54/98/804305498.db2.gz PUWOJOAVJHMSGJ-HNNXBMFYSA-N 1 3 298.471 3.010 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+]C1C[C@H](C)N[C@@H](C)C1 ZINC001246373284 804308966 /nfs/dbraw/zinc/30/89/66/804308966.db2.gz PXFNGPFHYCGPKN-GJZGRUSLSA-N 1 3 274.452 3.435 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883173 804309888 /nfs/dbraw/zinc/30/98/88/804309888.db2.gz FWLZHFSSLAUKLJ-FUHWJXTLSA-N 1 3 270.420 3.090 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001139883173 804309895 /nfs/dbraw/zinc/30/98/95/804309895.db2.gz FWLZHFSSLAUKLJ-FUHWJXTLSA-N 1 3 270.420 3.090 20 0 CGADHO CC1(C)CCC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246381839 804312739 /nfs/dbraw/zinc/31/27/39/804312739.db2.gz SECYFBRUYMYWSK-OAHLLOKOSA-N 1 3 264.457 3.467 20 0 CGADHO CCCC1([NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CCC1 ZINC001246382523 804312815 /nfs/dbraw/zinc/31/28/15/804312815.db2.gz DWILOTASUKUJNR-UONOGXRCSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(CC2(C[NH2+][C@@H]3C[C@@H](C)N[C@@H](C)C3)CC2)cc1 ZINC001246382315 804312884 /nfs/dbraw/zinc/31/28/84/804312884.db2.gz CHIZRLJVZHBBMB-ALXJQNPVSA-N 1 3 286.463 3.436 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246384153 804315144 /nfs/dbraw/zinc/31/51/44/804315144.db2.gz AIPPEYAHKGVTOE-SJORKVTESA-N 1 3 290.426 3.267 20 0 CGADHO CCCCCC[C@@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246390355 804318936 /nfs/dbraw/zinc/31/89/36/804318936.db2.gz KHFAZYQFICOBRC-OAHLLOKOSA-N 1 3 270.461 3.094 20 0 CGADHO CC[C@H](C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246395801 804320331 /nfs/dbraw/zinc/32/03/31/804320331.db2.gz XCHJAWHSWXKYNI-ZDUSSCGKSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246395353 804320663 /nfs/dbraw/zinc/32/06/63/804320663.db2.gz VFQQLQWYMUFCFF-CZUORRHYSA-N 1 3 276.399 3.021 20 0 CGADHO CCCCCC(CCCCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415876 804325467 /nfs/dbraw/zinc/32/54/67/804325467.db2.gz LPGVKRZGHIMHQI-INIZCTEOSA-N 1 3 299.503 3.088 20 0 CGADHO CC[C@H]1CC[C@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246431995 804328734 /nfs/dbraw/zinc/32/87/34/804328734.db2.gz VDWXTOOYJMJTMS-RDJZCZTQSA-N 1 3 272.436 3.434 20 0 CGADHO CC1(C)CC[C@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC001246435417 804332742 /nfs/dbraw/zinc/33/27/42/804332742.db2.gz NKSNQZVILYBSPI-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+][C@H]1CC12CNC2 ZINC001246445566 804334289 /nfs/dbraw/zinc/33/42/89/804334289.db2.gz PLWYDJLNSQYVSX-GJZGRUSLSA-N 1 3 252.446 3.467 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246456737 804338339 /nfs/dbraw/zinc/33/83/39/804338339.db2.gz OCJQWYDRDSDTJH-BBRMVZONSA-N 1 3 280.843 3.393 20 0 CGADHO C(NC1CCC2(CC2)CC1)[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461653 804342359 /nfs/dbraw/zinc/34/23/59/804342359.db2.gz OWFRZOARYTUYLY-QGZVFWFLSA-N 1 3 262.441 3.221 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)C1 ZINC001246460481 804342884 /nfs/dbraw/zinc/34/28/84/804342884.db2.gz IWUPJRJXUHIGKY-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246464242 804343573 /nfs/dbraw/zinc/34/35/73/804343573.db2.gz IRNKWNJBKIHOCE-YOEHRIQHSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H]1C[C@@H](NC[C@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246476137 804352335 /nfs/dbraw/zinc/35/23/35/804352335.db2.gz WLEHNSRURIYLBF-JONQDZQNSA-N 1 3 287.451 3.095 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCCC2CCCCC2)CCN1 ZINC001246477915 804353749 /nfs/dbraw/zinc/35/37/49/804353749.db2.gz JQHDIIBQJPSPHZ-ZBFHGGJFSA-N 1 3 252.446 3.467 20 0 CGADHO C1=C[C@H](NC2CCC3(CCCCC3)CC2)[C@H]2C[NH2+]C[C@@H]12 ZINC001246479234 804354101 /nfs/dbraw/zinc/35/41/01/804354101.db2.gz SOICHMUWPGFELB-PVAVHDDUSA-N 1 3 274.452 3.243 20 0 CGADHO NC12CC([NH2+][C@@H]3CCc4cc(Cl)cc(Cl)c4C3)(C1)C2 ZINC001246506459 804366236 /nfs/dbraw/zinc/36/62/36/804366236.db2.gz WDPBPCPJSZJTQG-VCANKDNSSA-N 1 3 297.229 3.074 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246512819 804367599 /nfs/dbraw/zinc/36/75/99/804367599.db2.gz CHAFIBRXNFVCSB-MOPGFXCFSA-N 1 3 286.463 3.376 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CCN1 ZINC001246516428 804371043 /nfs/dbraw/zinc/37/10/43/804371043.db2.gz SLYFHGXAVZHFKW-FUHWJXTLSA-N 1 3 272.436 3.054 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246519586 804373781 /nfs/dbraw/zinc/37/37/81/804373781.db2.gz SJJUGVVURGQKLP-RBUKOAKNSA-N 1 3 286.463 3.376 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2CCC[C@](C)(N)C2)CC1 ZINC001246539391 804387087 /nfs/dbraw/zinc/38/70/87/804387087.db2.gz KNRKBYZMIYPZRD-XUJLQICISA-N 1 3 252.446 3.405 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2CCC[C@](C)(N)C2)CC1 ZINC001246539391 804387096 /nfs/dbraw/zinc/38/70/96/804387096.db2.gz KNRKBYZMIYPZRD-XUJLQICISA-N 1 3 252.446 3.405 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246562569 804412337 /nfs/dbraw/zinc/41/23/37/804412337.db2.gz YLOJQEAXWKBZRP-QWHCGFSZSA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@@H](CCC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562569 804412338 /nfs/dbraw/zinc/41/23/38/804412338.db2.gz YLOJQEAXWKBZRP-QWHCGFSZSA-N 1 3 262.388 3.261 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](N)CC1 ZINC001246544901 804393144 /nfs/dbraw/zinc/39/31/44/804393144.db2.gz HVUZOCCBWLEUKJ-ZWKOTPCHSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](N)CC1 ZINC001246544901 804393151 /nfs/dbraw/zinc/39/31/51/804393151.db2.gz HVUZOCCBWLEUKJ-ZWKOTPCHSA-N 1 3 274.452 3.457 20 0 CGADHO C[C@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1CN ZINC001246544936 804394030 /nfs/dbraw/zinc/39/40/30/804394030.db2.gz DYGIFVXSTAJEEE-ARFHVFGLSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@H]1CN ZINC001246544936 804394038 /nfs/dbraw/zinc/39/40/38/804394038.db2.gz DYGIFVXSTAJEEE-ARFHVFGLSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@](C)([NH3+])CC1 ZINC001246546818 804396333 /nfs/dbraw/zinc/39/63/33/804396333.db2.gz AOYUVVOCAHXCNV-CJNGLKHVSA-N 1 3 280.843 3.474 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC001246547963 804399397 /nfs/dbraw/zinc/39/93/97/804399397.db2.gz DGYZZMREPWVBSO-SOLBZPMBSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC001246547963 804399404 /nfs/dbraw/zinc/39/94/04/804399404.db2.gz DGYZZMREPWVBSO-SOLBZPMBSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551235 804401323 /nfs/dbraw/zinc/40/13/23/804401323.db2.gz XOYOCGMDLRKZRW-LLLHUVSDSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551235 804401327 /nfs/dbraw/zinc/40/13/27/804401327.db2.gz XOYOCGMDLRKZRW-LLLHUVSDSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551235 804401331 /nfs/dbraw/zinc/40/13/31/804401331.db2.gz XOYOCGMDLRKZRW-LLLHUVSDSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1CC[NH2+]CCN1C1CCC(c2ccccc2)CC1 ZINC001246553206 804402942 /nfs/dbraw/zinc/40/29/42/804402942.db2.gz SKFHBTSHAIBUAC-ZLPCBKJTSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](C)C2)C[C@H](CC)N1 ZINC001246554953 804404049 /nfs/dbraw/zinc/40/40/49/804404049.db2.gz CZXWODVEVOEIEM-WCVJEAGWSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C)C2)C[C@H](CC)N1 ZINC001246554953 804404052 /nfs/dbraw/zinc/40/40/52/804404052.db2.gz CZXWODVEVOEIEM-WCVJEAGWSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC(F)(F)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246556623 804406464 /nfs/dbraw/zinc/40/64/64/804406464.db2.gz JWSYRBBDNNDTRQ-FRRDWIJNSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC(F)(F)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246556623 804406467 /nfs/dbraw/zinc/40/64/67/804406467.db2.gz JWSYRBBDNNDTRQ-FRRDWIJNSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246563764 804411469 /nfs/dbraw/zinc/41/14/69/804411469.db2.gz LTECQEWKQGDRFU-MCIONIFRSA-N 1 3 296.455 3.366 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246562569 804412331 /nfs/dbraw/zinc/41/23/31/804412331.db2.gz YLOJQEAXWKBZRP-QWHCGFSZSA-N 1 3 262.388 3.261 20 0 CGADHO Cc1cccc2c1CN([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246569590 804417596 /nfs/dbraw/zinc/41/75/96/804417596.db2.gz WQHNANVBOFVTOQ-DOTOQJQBSA-N 1 3 272.436 3.477 20 0 CGADHO Cc1cccc2c1CN([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C2 ZINC001246569593 804417936 /nfs/dbraw/zinc/41/79/36/804417936.db2.gz WQHNANVBOFVTOQ-WBVHZDCISA-N 1 3 272.436 3.477 20 0 CGADHO C[C@@]1(F)CCN(C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1F ZINC001246591810 804433915 /nfs/dbraw/zinc/43/39/15/804433915.db2.gz XSLZFWODBCSSAO-PWUWZPNHSA-N 1 3 286.410 3.071 20 0 CGADHO CC(C)COCC[C@@H](C)[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246594297 804434581 /nfs/dbraw/zinc/43/45/81/804434581.db2.gz PUUIJEGDYCPDHQ-SJORKVTESA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)COCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246594297 804434587 /nfs/dbraw/zinc/43/45/87/804434587.db2.gz PUUIJEGDYCPDHQ-SJORKVTESA-N 1 3 284.488 3.290 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246601919 804438315 /nfs/dbraw/zinc/43/83/15/804438315.db2.gz HXSGJMYCGJTRLT-RBUKOAKNSA-N 1 3 286.463 3.473 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246601919 804438323 /nfs/dbraw/zinc/43/83/23/804438323.db2.gz HXSGJMYCGJTRLT-RBUKOAKNSA-N 1 3 286.463 3.473 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246621797 804455131 /nfs/dbraw/zinc/45/51/31/804455131.db2.gz QAISVIRDMSQMET-DLBZAZTESA-N 1 3 282.472 3.190 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246621797 804455134 /nfs/dbraw/zinc/45/51/34/804455134.db2.gz QAISVIRDMSQMET-DLBZAZTESA-N 1 3 282.472 3.190 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC001246628785 804458829 /nfs/dbraw/zinc/45/88/29/804458829.db2.gz ZRTBHOOEWFWVLB-HUUCEWRRSA-N 1 3 250.430 3.316 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC23CCCC3)CCN1 ZINC001246628785 804458834 /nfs/dbraw/zinc/45/88/34/804458834.db2.gz ZRTBHOOEWFWVLB-HUUCEWRRSA-N 1 3 250.430 3.316 20 0 CGADHO C1C[C@@H]2[C@@H](CCN2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246636965 804465486 /nfs/dbraw/zinc/46/54/86/804465486.db2.gz HPDCCPKOPMDTGP-ARFHVFGLSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246636965 804465490 /nfs/dbraw/zinc/46/54/90/804465490.db2.gz HPDCCPKOPMDTGP-ARFHVFGLSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246636965 804465494 /nfs/dbraw/zinc/46/54/94/804465494.db2.gz HPDCCPKOPMDTGP-ARFHVFGLSA-N 1 3 262.441 3.316 20 0 CGADHO C1=CC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c2ccccc21 ZINC001246649366 804477078 /nfs/dbraw/zinc/47/70/78/804477078.db2.gz YABGFWKDFZMPHE-JWTNVVGKSA-N 1 3 294.442 3.330 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@H](CF)[C@@H](C2(N)CC2)C1 ZINC001246687025 804496427 /nfs/dbraw/zinc/49/64/27/804496427.db2.gz CNFNCBTZZDKXNH-HOCLYGCPSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1C[C@H](CF)[C@@H](C2(N)CC2)C1 ZINC001246687025 804496432 /nfs/dbraw/zinc/49/64/32/804496432.db2.gz CNFNCBTZZDKXNH-HOCLYGCPSA-N 1 3 284.463 3.456 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246777724 804505935 /nfs/dbraw/zinc/50/59/35/804505935.db2.gz TVJIHWRNISZOIY-MSOLQXFVSA-N 1 3 286.463 3.472 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246777724 804505940 /nfs/dbraw/zinc/50/59/40/804505940.db2.gz TVJIHWRNISZOIY-MSOLQXFVSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@@H]2C)C[C@H](CC)N1 ZINC001246790336 804513445 /nfs/dbraw/zinc/51/34/45/804513445.db2.gz NOSVVZHEPQNIGX-DGADGQDISA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)C[C@H](CC)N1 ZINC001246790336 804513448 /nfs/dbraw/zinc/51/34/48/804513448.db2.gz NOSVVZHEPQNIGX-DGADGQDISA-N 1 3 252.446 3.416 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2C)CCN1 ZINC001246792107 804515917 /nfs/dbraw/zinc/51/59/17/804515917.db2.gz UHYZCIULRFSFGY-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)CCN1 ZINC001246792107 804515921 /nfs/dbraw/zinc/51/59/21/804515921.db2.gz UHYZCIULRFSFGY-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC001246810085 804527470 /nfs/dbraw/zinc/52/74/70/804527470.db2.gz MHPNBSLIWIREIJ-LXTVHRRPSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC001246810085 804527476 /nfs/dbraw/zinc/52/74/76/804527476.db2.gz MHPNBSLIWIREIJ-LXTVHRRPSA-N 1 3 252.446 3.274 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829530 804540552 /nfs/dbraw/zinc/54/05/52/804540552.db2.gz KWSYJQJSDHIRTP-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829530 804540560 /nfs/dbraw/zinc/54/05/60/804540560.db2.gz KWSYJQJSDHIRTP-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CCCCC(CCCC)[N@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246843287 804552007 /nfs/dbraw/zinc/55/20/07/804552007.db2.gz FOUYOWDROVSHMZ-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC(CCCC)[N@@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246843287 804552011 /nfs/dbraw/zinc/55/20/11/804552011.db2.gz FOUYOWDROVSHMZ-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO COc1cccc([C@@H]2CCCN2C2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246848206 804558721 /nfs/dbraw/zinc/55/87/21/804558721.db2.gz MVFQDOOATYBKCC-DEYYWGMASA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H]2CCC[N@@H+]2C2C[C@H](C)N[C@@H](C)C2)c1 ZINC001246848206 804558727 /nfs/dbraw/zinc/55/87/27/804558727.db2.gz MVFQDOOATYBKCC-DEYYWGMASA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H]2CCC[N@H+]2C2C[C@H](C)N[C@@H](C)C2)c1 ZINC001246848206 804558733 /nfs/dbraw/zinc/55/87/33/804558733.db2.gz MVFQDOOATYBKCC-DEYYWGMASA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861319 804565507 /nfs/dbraw/zinc/56/55/07/804565507.db2.gz AVQCRVNMAGUEID-KYHPRHEASA-N 1 3 270.420 3.279 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862663 804566973 /nfs/dbraw/zinc/56/69/73/804566973.db2.gz MKVDKMWDVQIEDC-SJORKVTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862663 804566977 /nfs/dbraw/zinc/56/69/77/804566977.db2.gz MKVDKMWDVQIEDC-SJORKVTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@@H](N(C)CCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246862663 804566981 /nfs/dbraw/zinc/56/69/81/804566981.db2.gz MKVDKMWDVQIEDC-SJORKVTESA-N 1 3 290.451 3.090 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868103 804571142 /nfs/dbraw/zinc/57/11/42/804571142.db2.gz QLVCLKYHPSGGKV-FZKCQIBNSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868103 804571146 /nfs/dbraw/zinc/57/11/46/804571146.db2.gz QLVCLKYHPSGGKV-FZKCQIBNSA-N 1 3 252.446 3.131 20 0 CGADHO CSCC[C@H](C)[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001246915310 804596741 /nfs/dbraw/zinc/59/67/41/804596741.db2.gz MQIOYYBIUGFHKD-HNNXBMFYSA-N 1 3 292.492 3.382 20 0 CGADHO CSCC[C@H](C)[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001246915310 804596745 /nfs/dbraw/zinc/59/67/45/804596745.db2.gz MQIOYYBIUGFHKD-HNNXBMFYSA-N 1 3 292.492 3.382 20 0 CGADHO CSCC[C@H](C)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246915310 804596748 /nfs/dbraw/zinc/59/67/48/804596748.db2.gz MQIOYYBIUGFHKD-HNNXBMFYSA-N 1 3 292.492 3.382 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246934239 804606703 /nfs/dbraw/zinc/60/67/03/804606703.db2.gz AOTDKNBJKRKBKC-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246934239 804606705 /nfs/dbraw/zinc/60/67/05/804606705.db2.gz AOTDKNBJKRKBKC-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)Cc1cccc(Cl)c1 ZINC001246936302 804608602 /nfs/dbraw/zinc/60/86/02/804608602.db2.gz IQYAQPHOYWIIKR-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1cccc(Cl)c1 ZINC001246936305 804609012 /nfs/dbraw/zinc/60/90/12/804609012.db2.gz IQYAQPHOYWIIKR-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(C)cc1 ZINC001246935298 804609157 /nfs/dbraw/zinc/60/91/57/804609157.db2.gz GPBNWLPFPCXMLT-JKSUJKDBSA-N 1 3 292.492 3.407 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccccc1Cl ZINC001246944194 804611969 /nfs/dbraw/zinc/61/19/69/804611969.db2.gz UWAJYOQBXZKASF-ZIAGYGMSSA-N 1 3 280.843 3.202 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccccc1CC ZINC001141228182 804615799 /nfs/dbraw/zinc/61/57/99/804615799.db2.gz BCEFMIJXUIJCIL-UHFFFAOYSA-N 1 3 262.441 3.413 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(F)cc1Cl ZINC001246950211 804616078 /nfs/dbraw/zinc/61/60/78/804616078.db2.gz VYKYZHLMURQMNL-OLZOCXBDSA-N 1 3 298.833 3.342 20 0 CGADHO c1ccc(CN(C2CCC2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246957607 804617836 /nfs/dbraw/zinc/61/78/36/804617836.db2.gz BTRPPAZMHKWMGP-BYICEURKSA-N 1 3 270.420 3.324 20 0 CGADHO CC[C@H](N)C[N@H+](C)[C@@H](C)Cc1ccccc1Br ZINC001246976170 804624792 /nfs/dbraw/zinc/62/47/92/804624792.db2.gz YNHGEXMJSKDGQA-AAEUAGOBSA-N 1 3 299.256 3.049 20 0 CGADHO CC[C@H](N)C[N@@H+](C)[C@@H](C)Cc1ccccc1Br ZINC001246976170 804624793 /nfs/dbraw/zinc/62/47/93/804624793.db2.gz YNHGEXMJSKDGQA-AAEUAGOBSA-N 1 3 299.256 3.049 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144245721 804960758 /nfs/dbraw/zinc/96/07/58/804960758.db2.gz CRCVXQSOCQGACT-UHFFFAOYSA-N 1 3 297.446 3.393 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001257436389 807156211 /nfs/dbraw/zinc/15/62/11/807156211.db2.gz OHIWCBMBZCBVAM-LSDHHAIUSA-N 1 3 250.430 3.195 20 0 CGADHO COC1CCC(CC[NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001258004601 807263130 /nfs/dbraw/zinc/26/31/30/807263130.db2.gz HJROEMGODNQTEM-UHFFFAOYSA-N 1 3 296.499 3.292 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CCC=C(C)C)C[C@H]2C1 ZINC001258095388 807303908 /nfs/dbraw/zinc/30/39/08/807303908.db2.gz FPAXRQFSIPLZIH-GVDBMIGSSA-N 1 3 264.457 3.395 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258095167 807305425 /nfs/dbraw/zinc/30/54/25/807305425.db2.gz DUXZQTINMPUREK-OAHLLOKOSA-N 1 3 250.430 3.149 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H](C)CCSC)CC1 ZINC001258207530 807363609 /nfs/dbraw/zinc/36/36/09/807363609.db2.gz ZGOFWRPCXZCIOD-ZDUSSCGKSA-N 1 3 272.502 3.371 20 0 CGADHO C[NH+](C)C1CCC(NCc2c(F)ccc(F)c2F)CC1 ZINC001168295005 807374860 /nfs/dbraw/zinc/37/48/60/807374860.db2.gz OFHIFEXKTNYIME-UHFFFAOYSA-N 1 3 286.341 3.066 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001258333319 807414311 /nfs/dbraw/zinc/41/43/11/807414311.db2.gz LZPHYIKWNFMREY-MELADBBJSA-N 1 3 272.502 3.369 20 0 CGADHO CCN(C)C1CC[NH+]([C@H]2CCCC(C)(C)C2)CC1 ZINC001258295165 807401806 /nfs/dbraw/zinc/40/18/06/807401806.db2.gz XWJGJAVRMYVDSZ-HNNXBMFYSA-N 1 3 252.446 3.371 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C2 ZINC001169078817 807567266 /nfs/dbraw/zinc/56/72/66/807567266.db2.gz HNBRQKBYKDBLAT-BTTYYORXSA-N 1 3 296.361 3.003 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC001169099637 807575786 /nfs/dbraw/zinc/57/57/86/807575786.db2.gz CZQPWEGILSUYHN-ZHCJQAHYSA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC001169099637 807575789 /nfs/dbraw/zinc/57/57/89/807575789.db2.gz CZQPWEGILSUYHN-ZHCJQAHYSA-N 1 3 290.838 3.411 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cncc(Cl)c1 ZINC001169123734 807584786 /nfs/dbraw/zinc/58/47/86/807584786.db2.gz MQYCZZXKRYUQQT-QZKOUSHUSA-N 1 3 279.815 3.011 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001170077456 807749082 /nfs/dbraw/zinc/74/90/82/807749082.db2.gz JPIUFLJHHPDMKG-XHSDSOJGSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001170077456 807749089 /nfs/dbraw/zinc/74/90/89/807749089.db2.gz JPIUFLJHHPDMKG-XHSDSOJGSA-N 1 3 252.446 3.085 20 0 CGADHO COCCC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171636881 808110016 /nfs/dbraw/zinc/11/00/16/808110016.db2.gz JFZCQLRMPZSKJX-UHFFFAOYSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)O[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171643059 808111159 /nfs/dbraw/zinc/11/11/59/808111159.db2.gz RBNVRHGAZBUOKS-HNNXBMFYSA-N 1 3 282.472 3.137 20 0 CGADHO CC(C)O[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171643059 808111164 /nfs/dbraw/zinc/11/11/64/808111164.db2.gz RBNVRHGAZBUOKS-HNNXBMFYSA-N 1 3 282.472 3.137 20 0 CGADHO C[C@H](C[NH3+])CN(C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965453 808162004 /nfs/dbraw/zinc/16/20/04/808162004.db2.gz RAFRDYYSLMUZGZ-NEPJUHHUSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965453 808162009 /nfs/dbraw/zinc/16/20/09/808162009.db2.gz RAFRDYYSLMUZGZ-NEPJUHHUSA-N 1 3 288.357 3.163 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171965453 808162014 /nfs/dbraw/zinc/16/20/14/808162014.db2.gz RAFRDYYSLMUZGZ-NEPJUHHUSA-N 1 3 288.357 3.163 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC001172098549 808170914 /nfs/dbraw/zinc/17/09/14/808170914.db2.gz AMTHNJPBLGKLDZ-PHZGNYQRSA-N 1 3 280.362 3.070 20 0 CGADHO Cc1ccccc1CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123328 808185298 /nfs/dbraw/zinc/18/52/98/808185298.db2.gz ZWIZQLHHTUMFHT-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1ccccc1CN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123328 808185299 /nfs/dbraw/zinc/18/52/99/808185299.db2.gz ZWIZQLHHTUMFHT-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO CC(C)OCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001172432450 808310439 /nfs/dbraw/zinc/31/04/39/808310439.db2.gz AZZRFPCGQSPVIQ-JKSUJKDBSA-N 1 3 270.461 3.044 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)CC2 ZINC001172827721 808449265 /nfs/dbraw/zinc/44/92/65/808449265.db2.gz DUHZPZAFXFVYGQ-QRVBRYPASA-N 1 3 286.463 3.315 20 0 CGADHO CC[NH+](CC)C1CCC(NCC(=O)c2ccccc2)CC1 ZINC001173101854 808509719 /nfs/dbraw/zinc/50/97/19/808509719.db2.gz OIDGZXRLXADHCA-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO CC[NH+](CC)C1CCC(NCc2ncccc2Cl)CC1 ZINC001173103065 808510499 /nfs/dbraw/zinc/51/04/99/808510499.db2.gz GDCKDBOWLOZCNB-UHFFFAOYSA-N 1 3 295.858 3.478 20 0 CGADHO CC[NH+](CC)C1CCC(N[C@@H](C)c2nccs2)CC1 ZINC001173103922 808510521 /nfs/dbraw/zinc/51/05/21/808510521.db2.gz WOKNYEKUHFORKN-HSBZDZAISA-N 1 3 281.469 3.447 20 0 CGADHO CCSC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001173293607 808593306 /nfs/dbraw/zinc/59/33/06/808593306.db2.gz GAONAIZZPVRZLK-GFCCVEGCSA-N 1 3 272.502 3.369 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCCN(CCc3cccs3)C2)C1 ZINC001274989717 808896578 /nfs/dbraw/zinc/89/65/78/808896578.db2.gz CXCFSCJCWLHMAT-MRXNPFEDSA-N 1 3 278.465 3.098 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCCN(CCc3cccs3)C2)C1 ZINC001274989717 808896585 /nfs/dbraw/zinc/89/65/85/808896585.db2.gz CXCFSCJCWLHMAT-MRXNPFEDSA-N 1 3 278.465 3.098 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2CC1 ZINC001275952350 808978767 /nfs/dbraw/zinc/97/87/67/808978767.db2.gz DLXYPSYNXCXRKX-OKILXGFUSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2CC1 ZINC001275952350 808978770 /nfs/dbraw/zinc/97/87/70/808978770.db2.gz DLXYPSYNXCXRKX-OKILXGFUSA-N 1 3 296.817 3.253 20 0 CGADHO Cc1cc(F)ccc1CN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276121032 808989716 /nfs/dbraw/zinc/98/97/16/808989716.db2.gz QXEJBODJIGTDGS-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cc(F)ccc1CN1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276121032 808989720 /nfs/dbraw/zinc/98/97/20/808989720.db2.gz QXEJBODJIGTDGS-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4[nH]ccc43)(C1)CCC2 ZINC001276233182 808994939 /nfs/dbraw/zinc/99/49/39/808994939.db2.gz TUQOMQSEXYNUQG-ZWKOTPCHSA-N 1 3 283.419 3.322 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3c1CCC3)C2 ZINC001277477891 809077316 /nfs/dbraw/zinc/07/73/16/809077316.db2.gz CXJQWCRHLOVLDF-LJQANCHMSA-N 1 3 284.447 3.093 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3c1CCC3)C2 ZINC001277477891 809077322 /nfs/dbraw/zinc/07/73/22/809077322.db2.gz CXJQWCRHLOVLDF-LJQANCHMSA-N 1 3 284.447 3.093 20 0 CGADHO CN1CCc2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2C1 ZINC001176295733 809664706 /nfs/dbraw/zinc/66/47/06/809664706.db2.gz OAGHLMAEBKFUJT-UHFFFAOYSA-N 1 3 295.430 3.480 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3csc4ccccc34)[C@H]2C1 ZINC001179817227 809948847 /nfs/dbraw/zinc/94/88/47/809948847.db2.gz PAHXJTUUAGYUIA-VBNZEHGJSA-N 1 3 286.444 3.331 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001197931707 811464892 /nfs/dbraw/zinc/46/48/92/811464892.db2.gz ZETDWUULTLUTRE-CABCVRRESA-N 1 3 261.413 3.027 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001197931707 811464897 /nfs/dbraw/zinc/46/48/97/811464897.db2.gz ZETDWUULTLUTRE-CABCVRRESA-N 1 3 261.413 3.027 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CC[C@@H](C)SC1 ZINC001198901550 811551624 /nfs/dbraw/zinc/55/16/24/811551624.db2.gz WTUZHWXCSJNUOP-CABCVRRESA-N 1 3 272.502 3.372 20 0 CGADHO CC[C@H](C)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516804 811877643 /nfs/dbraw/zinc/87/76/43/811877643.db2.gz CBTFGDWIGKMTHP-YTQUADARSA-N 1 3 286.463 3.486 20 0 CGADHO CC[C@H](C)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516804 811877653 /nfs/dbraw/zinc/87/76/53/811877653.db2.gz CBTFGDWIGKMTHP-YTQUADARSA-N 1 3 286.463 3.486 20 0 CGADHO CCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717254 811945730 /nfs/dbraw/zinc/94/57/30/811945730.db2.gz IPSQGVJEGRFBFL-ROUUACIJSA-N 1 3 272.436 3.240 20 0 CGADHO CCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201717254 811945732 /nfs/dbraw/zinc/94/57/32/811945732.db2.gz IPSQGVJEGRFBFL-ROUUACIJSA-N 1 3 272.436 3.240 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001202762924 812169606 /nfs/dbraw/zinc/16/96/06/812169606.db2.gz UFUAXULCDDTAMP-HOTGVXAUSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001202762924 812169609 /nfs/dbraw/zinc/16/96/09/812169609.db2.gz UFUAXULCDDTAMP-HOTGVXAUSA-N 1 3 250.430 3.125 20 0 CGADHO CCC1(CN(C)C2CC[NH+](C3CCCCC3)CC2)COC1 ZINC001202965656 812211546 /nfs/dbraw/zinc/21/15/46/812211546.db2.gz JWVAZPIIOKYQFI-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO CCC1(C[N@H+](C)C2CCN(C3CCCCC3)CC2)COC1 ZINC001202965656 812211553 /nfs/dbraw/zinc/21/15/53/812211553.db2.gz JWVAZPIIOKYQFI-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO CCC1(C[N@@H+](C)C2CCN(C3CCCCC3)CC2)COC1 ZINC001202965656 812211560 /nfs/dbraw/zinc/21/15/60/812211560.db2.gz JWVAZPIIOKYQFI-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@](C)(N)C1 ZINC001204938486 812787213 /nfs/dbraw/zinc/78/72/13/812787213.db2.gz LXDGWNRFPQGVBB-SFHVURJKSA-N 1 3 268.404 3.461 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@](C)(N)C1 ZINC001204938486 812787218 /nfs/dbraw/zinc/78/72/18/812787218.db2.gz LXDGWNRFPQGVBB-SFHVURJKSA-N 1 3 268.404 3.461 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205101525 812865116 /nfs/dbraw/zinc/86/51/16/812865116.db2.gz HWZHKTYKTMCFRG-GOSISDBHSA-N 1 3 281.403 3.062 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2csc3ccccc23)CC1 ZINC001205110470 812870916 /nfs/dbraw/zinc/87/09/16/812870916.db2.gz SVQMBARXRZXUKT-CYBMUJFWSA-N 1 3 260.406 3.215 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205110636 812870968 /nfs/dbraw/zinc/87/09/68/812870968.db2.gz XKXCWLCQYRDVFU-GOSISDBHSA-N 1 3 281.403 3.062 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205117104 812874320 /nfs/dbraw/zinc/87/43/20/812874320.db2.gz KRDALPGTUMILPU-CQSZACIVSA-N 1 3 286.341 3.327 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2cccc3sccc32)CC1 ZINC001205123963 812877136 /nfs/dbraw/zinc/87/71/36/812877136.db2.gz HUMITAYJXPJOCH-ZDUSSCGKSA-N 1 3 260.406 3.215 20 0 CGADHO Cc1cc(CN2CCC[C@](C)([NH3+])CC2)c(C)s1 ZINC001205265720 812922238 /nfs/dbraw/zinc/92/22/38/812922238.db2.gz QXAAQIXESQOADJ-AWEZNQCLSA-N 1 3 252.427 3.068 20 0 CGADHO C[C@@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)C[C@@H]1CN ZINC001205296019 812935596 /nfs/dbraw/zinc/93/55/96/812935596.db2.gz DTBBXJFOSKOMBP-SJORKVTESA-N 1 3 286.463 3.415 20 0 CGADHO C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@@H]1CN ZINC001205296019 812935603 /nfs/dbraw/zinc/93/56/03/812935603.db2.gz DTBBXJFOSKOMBP-SJORKVTESA-N 1 3 286.463 3.415 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318317 812950840 /nfs/dbraw/zinc/95/08/40/812950840.db2.gz UCRPQKZHMSQGPV-NVXWUHKLSA-N 1 3 290.451 3.199 20 0 CGADHO C[C@H]1CCN(Cc2cccc3c(F)cccc23)C[C@@H]1C[NH3+] ZINC001205319094 812951896 /nfs/dbraw/zinc/95/18/96/812951896.db2.gz YRFHOWIGBGEIOT-ZFWWWQNUSA-N 1 3 286.394 3.396 20 0 CGADHO COc1cc(Cl)ccc1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205636116 813036510 /nfs/dbraw/zinc/03/65/10/813036510.db2.gz CGVZLUNDHXHKFZ-OLZOCXBDSA-N 1 3 296.842 3.155 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205904618 813126829 /nfs/dbraw/zinc/12/68/29/813126829.db2.gz WDBPOSXFUCLUJP-HRCADAONSA-N 1 3 252.446 3.428 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1CCCc1ccccc1Cl ZINC001205901275 813123535 /nfs/dbraw/zinc/12/35/35/813123535.db2.gz CDXQPYBGTDVVRK-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903609 813126384 /nfs/dbraw/zinc/12/63/84/813126384.db2.gz QGVYXUYZHGVCGX-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001205903609 813126382 /nfs/dbraw/zinc/12/63/82/813126382.db2.gz QGVYXUYZHGVCGX-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1CCCc1ccc(Cl)cc1 ZINC001205903609 813126387 /nfs/dbraw/zinc/12/63/87/813126387.db2.gz QGVYXUYZHGVCGX-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001205904618 813126826 /nfs/dbraw/zinc/12/68/26/813126826.db2.gz WDBPOSXFUCLUJP-HRCADAONSA-N 1 3 252.446 3.428 20 0 CGADHO C[C@H](CC(C)(C)C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001206168657 813223159 /nfs/dbraw/zinc/22/31/59/813223159.db2.gz WOAGPBDIWGNZJT-KLHKWILBSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206188936 813233432 /nfs/dbraw/zinc/23/34/32/813233432.db2.gz WIVAJNKABCKDEF-JKSUJKDBSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206188936 813233435 /nfs/dbraw/zinc/23/34/35/813233435.db2.gz WIVAJNKABCKDEF-JKSUJKDBSA-N 1 3 294.414 3.043 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2ccc(C3CCC3)cc2)CC[C@@H]1F ZINC001206196672 813236232 /nfs/dbraw/zinc/23/62/32/813236232.db2.gz CKHBGCBIOVNHJW-DLBZAZTESA-N 1 3 276.399 3.215 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206201100 813237724 /nfs/dbraw/zinc/23/77/24/813237724.db2.gz VPNPEWCQUSXYDW-GJZGRUSLSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206201100 813237727 /nfs/dbraw/zinc/23/77/27/813237727.db2.gz VPNPEWCQUSXYDW-GJZGRUSLSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206572880 813359187 /nfs/dbraw/zinc/35/91/87/813359187.db2.gz GYHNQPBHYAUSFB-KRWDZBQOSA-N 1 3 278.415 3.393 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(F)c3cc[nH]c32)C1 ZINC001206581566 813361678 /nfs/dbraw/zinc/36/16/78/813361678.db2.gz KHHAZNRHMZQFAW-KRWDZBQOSA-N 1 3 289.398 3.258 20 0 CGADHO CC[C@@H](N)C[NH+]1CCC(Cc2cccc(Cl)c2)CC1 ZINC001206704410 813402830 /nfs/dbraw/zinc/40/28/30/813402830.db2.gz SDTJJYSERCRNQG-MRXNPFEDSA-N 1 3 280.843 3.332 20 0 CGADHO CC1=CC[C@@H](CC[NH+]2CCC(N(C)C)CC2)C1(C)C ZINC001207269920 813528503 /nfs/dbraw/zinc/52/85/03/813528503.db2.gz WOWPCGLPVLWWBJ-HNNXBMFYSA-N 1 3 264.457 3.395 20 0 CGADHO Cc1ccc2[nH]cc(CN3CC4(C3)CC[NH+](C)CC4)c2c1 ZINC001209499033 814064388 /nfs/dbraw/zinc/06/43/88/814064388.db2.gz JRNJMVIQDCXCCU-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO c1cc2c(c(C3=CC[C@H]([NH+]4CCCC4)CC3)n1)CCN2 ZINC001242688271 823100397 /nfs/dbraw/zinc/10/03/97/823100397.db2.gz GSZAIGCRFHFECA-AWEZNQCLSA-N 1 3 269.392 3.081 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCOCc2ccccc2)CCN1 ZINC001210475757 814479029 /nfs/dbraw/zinc/47/90/29/814479029.db2.gz OAURHBKNHBPUNR-QGZVFWFLSA-N 1 3 290.451 3.057 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)CCN1 ZINC001210475757 814479035 /nfs/dbraw/zinc/47/90/35/814479035.db2.gz OAURHBKNHBPUNR-QGZVFWFLSA-N 1 3 290.451 3.057 20 0 CGADHO Oc1cnc(N=C2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC001210708299 814591921 /nfs/dbraw/zinc/59/19/21/814591921.db2.gz KZPMVULGXGECDH-LBPRGKRZSA-N 1 3 293.798 3.385 20 0 CGADHO C[C@@H]1C[C@@H](Oc2ccc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC001218057542 816079192 /nfs/dbraw/zinc/07/91/92/816079192.db2.gz SARBBJGAUBFXJM-ZBFHGGJFSA-N 1 3 298.430 3.421 20 0 CGADHO Cc1c(Cl)ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC001222629197 816483726 /nfs/dbraw/zinc/48/37/26/816483726.db2.gz DRJBRCISGQKSJV-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1ccc(OC(C)(C)C)cc1 ZINC001231804226 818179722 /nfs/dbraw/zinc/17/97/22/818179722.db2.gz ZENZMMVKAWYMBG-UHFFFAOYSA-N 1 3 278.440 3.247 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1ccc(OC(C)(C)C)cc1 ZINC001231804226 818179724 /nfs/dbraw/zinc/17/97/24/818179724.db2.gz ZENZMMVKAWYMBG-UHFFFAOYSA-N 1 3 278.440 3.247 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3-n3cccc3)C2)C1 ZINC001232912808 818473154 /nfs/dbraw/zinc/47/31/54/818473154.db2.gz VELWGKRFOPKXIC-IBGZPJMESA-N 1 3 295.430 3.005 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(Cc3ccccc3-n3cccc3)C2)C1 ZINC001232912808 818473160 /nfs/dbraw/zinc/47/31/60/818473160.db2.gz VELWGKRFOPKXIC-IBGZPJMESA-N 1 3 295.430 3.005 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(Cl)o2)CC1 ZINC001233316015 818575257 /nfs/dbraw/zinc/57/52/57/818575257.db2.gz IHZBOEKDPGCYJT-UHFFFAOYSA-N 1 3 284.831 3.485 20 0 CGADHO c1cc2c(c(CN3CCC[C@]4(CCC[NH2+]4)CC3)c1)CCC2 ZINC001235039562 818986865 /nfs/dbraw/zinc/98/68/65/818986865.db2.gz VLSNFTGRRVPWDY-LJQANCHMSA-N 1 3 284.447 3.283 20 0 CGADHO CCOc1ccc(C)c(CN2CCCC23CC[NH2+]CC3)c1 ZINC001235145873 819015032 /nfs/dbraw/zinc/01/50/32/819015032.db2.gz XCHRXOYMGXPUOX-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO CCOc1ccc(C)c(C[N@@H+]2CCCC23CCNCC3)c1 ZINC001235145873 819015037 /nfs/dbraw/zinc/01/50/37/819015037.db2.gz XCHRXOYMGXPUOX-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO CCOc1ccc(C)c(C[N@H+]2CCCC23CCNCC3)c1 ZINC001235145873 819015040 /nfs/dbraw/zinc/01/50/40/819015040.db2.gz XCHRXOYMGXPUOX-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO Cn1ccc2cc(C[N@@H+]3CCCCC34CCNCC4)ccc21 ZINC001235189929 819030294 /nfs/dbraw/zinc/03/02/94/819030294.db2.gz QGXIAMYEWMDHMO-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO Cn1ccc2cc(C[N@H+]3CCCCC34CCNCC4)ccc21 ZINC001235189929 819030299 /nfs/dbraw/zinc/03/02/99/819030299.db2.gz QGXIAMYEWMDHMO-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO Cn1ccc2cc(CN3CCCCC34CC[NH2+]CC4)ccc21 ZINC001235189929 819030303 /nfs/dbraw/zinc/03/03/03/819030303.db2.gz QGXIAMYEWMDHMO-UHFFFAOYSA-N 1 3 297.446 3.286 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCCCC13CCNCC3)NCCC2 ZINC001235190751 819030669 /nfs/dbraw/zinc/03/06/69/819030669.db2.gz KEGPKEKFIWJVAC-UHFFFAOYSA-N 1 3 299.462 3.153 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCCCC13CCNCC3)NCCC2 ZINC001235190751 819030675 /nfs/dbraw/zinc/03/06/75/819030675.db2.gz KEGPKEKFIWJVAC-UHFFFAOYSA-N 1 3 299.462 3.153 20 0 CGADHO c1cc2c(cc1CN1CCCCC13CC[NH2+]CC3)NCCC2 ZINC001235190751 819030680 /nfs/dbraw/zinc/03/06/80/819030680.db2.gz KEGPKEKFIWJVAC-UHFFFAOYSA-N 1 3 299.462 3.153 20 0 CGADHO c1ccc(C2(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)CCCC2)cc1 ZINC001235256289 819051094 /nfs/dbraw/zinc/05/10/94/819051094.db2.gz RJSLHWFGDFOIOR-SJLPKXTDSA-N 1 3 284.447 3.182 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001235262434 819055453 /nfs/dbraw/zinc/05/54/53/819055453.db2.gz RDLGVXPWLXVOSD-JYJNAYRXSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001235262434 819055458 /nfs/dbraw/zinc/05/54/58/819055458.db2.gz RDLGVXPWLXVOSD-JYJNAYRXSA-N 1 3 250.430 3.053 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235399276 819084961 /nfs/dbraw/zinc/08/49/61/819084961.db2.gz AELFDZKKIBFWDY-JYJNAYRXSA-N 1 3 270.436 3.226 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235399276 819084963 /nfs/dbraw/zinc/08/49/63/819084963.db2.gz AELFDZKKIBFWDY-JYJNAYRXSA-N 1 3 270.436 3.226 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406477 819087131 /nfs/dbraw/zinc/08/71/31/819087131.db2.gz PUWIRBAGKNJQDL-RTBURBONSA-N 1 3 298.405 3.315 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406477 819087135 /nfs/dbraw/zinc/08/71/35/819087135.db2.gz PUWIRBAGKNJQDL-RTBURBONSA-N 1 3 298.405 3.315 20 0 CGADHO C[C@H](CN(C)CCC[NH3+])c1cccc2ccccc21 ZINC001235435244 819097282 /nfs/dbraw/zinc/09/72/82/819097282.db2.gz DVIDRMMYASCOPQ-CQSZACIVSA-N 1 3 256.393 3.224 20 0 CGADHO C[C@H](C[N@H+](C)CCCN)c1cccc2ccccc21 ZINC001235435244 819097287 /nfs/dbraw/zinc/09/72/87/819097287.db2.gz DVIDRMMYASCOPQ-CQSZACIVSA-N 1 3 256.393 3.224 20 0 CGADHO C[C@H](C[N@@H+](C)CCCN)c1cccc2ccccc21 ZINC001235435244 819097292 /nfs/dbraw/zinc/09/72/92/819097292.db2.gz DVIDRMMYASCOPQ-CQSZACIVSA-N 1 3 256.393 3.224 20 0 CGADHO CCC[N@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001235663170 819132099 /nfs/dbraw/zinc/13/20/99/819132099.db2.gz RTPNBOIJIXDUSA-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO CCC[N@@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001235663170 819132102 /nfs/dbraw/zinc/13/21/02/819132102.db2.gz RTPNBOIJIXDUSA-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCC[C@@H](CN)C2)C1(C)C ZINC001235673579 819133207 /nfs/dbraw/zinc/13/32/07/819133207.db2.gz OVNGKRSZORJFKC-GJZGRUSLSA-N 1 3 250.430 3.040 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCC[C@@H](CN)C2)C1(C)C ZINC001235673579 819133215 /nfs/dbraw/zinc/13/32/15/819133215.db2.gz OVNGKRSZORJFKC-GJZGRUSLSA-N 1 3 250.430 3.040 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc3n2CCNC3)cc1 ZINC001235678059 819138861 /nfs/dbraw/zinc/13/88/61/819138861.db2.gz KRVJGNUFKKWUIE-LJQANCHMSA-N 1 3 295.430 3.237 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc3n2CCNC3)cc1 ZINC001235678059 819138863 /nfs/dbraw/zinc/13/88/63/819138863.db2.gz KRVJGNUFKKWUIE-LJQANCHMSA-N 1 3 295.430 3.237 20 0 CGADHO [NH3+]CCCCCCN1CCSC[C@@H]1c1ccc(F)cc1 ZINC001235864470 819190379 /nfs/dbraw/zinc/19/03/79/819190379.db2.gz HQWDAYGOHIDWKM-MRXNPFEDSA-N 1 3 296.455 3.435 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1Cc1ccc(F)c2ccccc12 ZINC001235925281 819224916 /nfs/dbraw/zinc/22/49/16/819224916.db2.gz PJHUWGYBSMLQFQ-AWEZNQCLSA-N 1 3 272.367 3.292 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939854 819233992 /nfs/dbraw/zinc/23/39/92/819233992.db2.gz QNDNELICCLFTQX-KGLIPLIRSA-N 1 3 298.352 3.055 20 0 CGADHO CN(Cc1cccc2sccc21)C[C@H]1CCC[NH2+]C1 ZINC001235956959 819243906 /nfs/dbraw/zinc/24/39/06/819243906.db2.gz IVGNPYUVWLLUFR-ZDUSSCGKSA-N 1 3 274.433 3.333 20 0 CGADHO CCN(Cc1ccc(Cl)cc1)CC1(F)CC[NH2+]CC1 ZINC001235963608 819252583 /nfs/dbraw/zinc/25/25/83/819252583.db2.gz WESYRRBUFOTKTG-UHFFFAOYSA-N 1 3 284.806 3.254 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235977620 819257309 /nfs/dbraw/zinc/25/73/09/819257309.db2.gz GZJVVBSAYPFWIE-LRDDRELGSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235977620 819257314 /nfs/dbraw/zinc/25/73/14/819257314.db2.gz GZJVVBSAYPFWIE-LRDDRELGSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)C[C@H](N)C1 ZINC001236044832 819282722 /nfs/dbraw/zinc/28/27/22/819282722.db2.gz AMLITGNTVQYKBY-BBRMVZONSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)C[C@H](N)C1 ZINC001236044832 819282727 /nfs/dbraw/zinc/28/27/27/819282727.db2.gz AMLITGNTVQYKBY-BBRMVZONSA-N 1 3 268.404 3.317 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059332 819292220 /nfs/dbraw/zinc/29/22/20/819292220.db2.gz FFCVJIJONUXVRH-ULQDDVLXSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236059332 819292227 /nfs/dbraw/zinc/29/22/27/819292227.db2.gz FFCVJIJONUXVRH-ULQDDVLXSA-N 1 3 264.457 3.443 20 0 CGADHO Fc1cccc(F)c1[C@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC001236190834 819363138 /nfs/dbraw/zinc/36/31/38/819363138.db2.gz YRUNKWXHYGXNSR-CZUORRHYSA-N 1 3 294.389 3.491 20 0 CGADHO Cc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236210570 819371792 /nfs/dbraw/zinc/37/17/92/819371792.db2.gz DKVJJRXFSCVGDW-JKSUJKDBSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c[nH]c21 ZINC001236210570 819371797 /nfs/dbraw/zinc/37/17/97/819371797.db2.gz DKVJJRXFSCVGDW-JKSUJKDBSA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1N ZINC001236213212 819376288 /nfs/dbraw/zinc/37/62/88/819376288.db2.gz AMKRQCKUOCFITC-MSOLQXFVSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@H]1N ZINC001236213212 819376295 /nfs/dbraw/zinc/37/62/95/819376295.db2.gz AMKRQCKUOCFITC-MSOLQXFVSA-N 1 3 283.419 3.179 20 0 CGADHO C[NH2+]C1CCC(N(C)Cc2c(F)ccc(C)c2OC)CC1 ZINC001236216111 819379810 /nfs/dbraw/zinc/37/98/10/819379810.db2.gz JDRBWMBFNGYNKF-UHFFFAOYSA-N 1 3 294.414 3.105 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2N)c(C)c1 ZINC001236216866 819382426 /nfs/dbraw/zinc/38/24/26/819382426.db2.gz LMCLKAYXMGXOJL-SJORKVTESA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2N)c(C)c1 ZINC001236216866 819382433 /nfs/dbraw/zinc/38/24/33/819382433.db2.gz LMCLKAYXMGXOJL-SJORKVTESA-N 1 3 276.424 3.014 20 0 CGADHO C[N@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@@H]1N ZINC001236218793 819383396 /nfs/dbraw/zinc/38/33/96/819383396.db2.gz UCKVUILERKUHPO-ROUUACIJSA-N 1 3 272.436 3.267 20 0 CGADHO C[N@@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@@H]1N ZINC001236218793 819383401 /nfs/dbraw/zinc/38/34/01/819383401.db2.gz UCKVUILERKUHPO-ROUUACIJSA-N 1 3 272.436 3.267 20 0 CGADHO [NH3+]Cc1cccc(CN2CCSc3ccccc3C2)c1 ZINC001236242589 819401591 /nfs/dbraw/zinc/40/15/91/819401591.db2.gz YYYFXMURTPLAEW-UHFFFAOYSA-N 1 3 284.428 3.253 20 0 CGADHO CS[C@@H](C)CCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287159 819414070 /nfs/dbraw/zinc/41/40/70/819414070.db2.gz POYGJMVPJDILAN-HNNXBMFYSA-N 1 3 292.492 3.382 20 0 CGADHO CS[C@@H](C)CC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287159 819414074 /nfs/dbraw/zinc/41/40/74/819414074.db2.gz POYGJMVPJDILAN-HNNXBMFYSA-N 1 3 292.492 3.382 20 0 CGADHO CS[C@@H](C)CC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236287159 819414077 /nfs/dbraw/zinc/41/40/77/819414077.db2.gz POYGJMVPJDILAN-HNNXBMFYSA-N 1 3 292.492 3.382 20 0 CGADHO CCN(Cc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236407917 819455608 /nfs/dbraw/zinc/45/56/08/819455608.db2.gz INPNHENNMRGUTP-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO CCN(CCCc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236408302 819455906 /nfs/dbraw/zinc/45/59/06/819455906.db2.gz NASZKJDPKBGCDB-AWEZNQCLSA-N 1 3 280.843 3.204 20 0 CGADHO CCN(Cc1cc(C)c(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236408869 819456235 /nfs/dbraw/zinc/45/62/35/819456235.db2.gz PRRQRXXHAXDFDX-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO Cc1ccc(F)cc1CN(CCC1CC1)C1CC[NH2+]CC1 ZINC001236509210 819507817 /nfs/dbraw/zinc/50/78/17/819507817.db2.gz KKFPLTOLDLHFFO-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](CCC1CC1)C1CCNCC1 ZINC001236509210 819507819 /nfs/dbraw/zinc/50/78/19/819507819.db2.gz KKFPLTOLDLHFFO-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](CCC1CC1)C1CCNCC1 ZINC001236509210 819507823 /nfs/dbraw/zinc/50/78/23/819507823.db2.gz KKFPLTOLDLHFFO-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO CCCN(C[C@H]1CC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC001236826639 819610033 /nfs/dbraw/zinc/61/00/33/819610033.db2.gz CRXQEHMWSZQSPU-INIZCTEOSA-N 1 3 272.436 3.040 20 0 CGADHO CCCN(Cc1cc(C)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236834827 819614796 /nfs/dbraw/zinc/61/47/96/819614796.db2.gz IOMKHFBVHXEQHU-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO CCCOc1ccc(CN(CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236836271 819615409 /nfs/dbraw/zinc/61/54/09/819615409.db2.gz UMELIQMNSSBLNG-QGZVFWFLSA-N 1 3 290.451 3.297 20 0 CGADHO CCCN(Cc1c(C)cc(F)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236841940 819618706 /nfs/dbraw/zinc/61/87/06/819618706.db2.gz BBGOJBXDIPUOFG-OAHLLOKOSA-N 1 3 278.415 3.264 20 0 CGADHO CCCN(Cc1ccc(C)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844164 819620492 /nfs/dbraw/zinc/62/04/92/819620492.db2.gz ULWRVDHVNKFDQH-OAHLLOKOSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc3ccccc3c2)C1 ZINC001237059865 819657260 /nfs/dbraw/zinc/65/72/60/819657260.db2.gz WRIHHXMJJROPIT-GOSISDBHSA-N 1 3 268.404 3.401 20 0 CGADHO Clc1cccc(CCCN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237382696 819737814 /nfs/dbraw/zinc/73/78/14/819737814.db2.gz MRLNUAVKTCDOCC-WBVHZDCISA-N 1 3 292.854 3.347 20 0 CGADHO CCN(CC)Cc1cc(C2=CCC[NH2+]CC2)ccc1OC ZINC001238950926 820165617 /nfs/dbraw/zinc/16/56/17/820165617.db2.gz RBKJZMQMLMXQIW-UHFFFAOYSA-N 1 3 288.435 3.304 20 0 CGADHO Nc1ccnc2cc(-c3ccc4c(c3)CC[NH2+]C4)ccc12 ZINC001240457418 821069893 /nfs/dbraw/zinc/06/98/93/821069893.db2.gz UUKXACDTFUOUNZ-UHFFFAOYSA-N 1 3 275.355 3.130 20 0 CGADHO CC(C)C1=NCCc2ccc(C3=CC[NH2+]CC3)cc21 ZINC001240469655 821078365 /nfs/dbraw/zinc/07/83/65/821078365.db2.gz IIZXOEFLRHWYLJ-UHFFFAOYSA-N 1 3 254.377 3.065 20 0 CGADHO FC(F)c1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001240771562 821314777 /nfs/dbraw/zinc/31/47/77/821314777.db2.gz PWKIGEZJRLJLPC-UHFFFAOYSA-N 1 3 289.329 3.096 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC001348851655 936936740 /nfs/dbraw/zinc/93/67/40/936936740.db2.gz FJWZFSMLDMBWMQ-KBMXLJTQSA-N 1 3 260.425 3.156 20 0 CGADHO C[C@H](CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)N1CCCCC1 ZINC001560750366 937237373 /nfs/dbraw/zinc/23/73/73/937237373.db2.gz ATRNRBAODNURSP-WCXIOVBPSA-N 1 3 264.457 3.277 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721520037 928740361 /nfs/dbraw/zinc/74/03/61/928740361.db2.gz LVUUMVINWLPKBK-CAOSSQGBSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891169 932691012 /nfs/dbraw/zinc/69/10/12/932691012.db2.gz CTKKZRAOAGHNDA-OYNZBZHQSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891169 932691016 /nfs/dbraw/zinc/69/10/16/932691016.db2.gz CTKKZRAOAGHNDA-OYNZBZHQSA-N 1 3 278.827 3.255 20 0 CGADHO C/C=C/C[C@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC001307973538 933029593 /nfs/dbraw/zinc/02/95/93/933029593.db2.gz FIFHSUCYKUYSNQ-RRGWEWPQSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C/C[C@H]1CCC[N@@H+](CCCN(CC)CC)C1 ZINC001307973538 933029597 /nfs/dbraw/zinc/02/95/97/933029597.db2.gz FIFHSUCYKUYSNQ-RRGWEWPQSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C/C[C@H]1CCC[N@H+](CCCN(CC)CC)C1 ZINC001307973538 933029600 /nfs/dbraw/zinc/02/96/00/933029600.db2.gz FIFHSUCYKUYSNQ-RRGWEWPQSA-N 1 3 252.446 3.397 20 0 CGADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987349 933030829 /nfs/dbraw/zinc/03/08/29/933030829.db2.gz KBMDHKLCYMCOCO-IIYDPXPESA-N 1 3 290.838 3.211 20 0 CGADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC001307987349 933030832 /nfs/dbraw/zinc/03/08/32/933030832.db2.gz KBMDHKLCYMCOCO-IIYDPXPESA-N 1 3 290.838 3.211 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001308553120 933130393 /nfs/dbraw/zinc/13/03/93/933130393.db2.gz HCIGSXYQCFXQKT-UHDSXZAQSA-N 1 3 264.457 3.131 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755716 933927915 /nfs/dbraw/zinc/92/79/15/933927915.db2.gz REPIWUOFWXWUBP-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC001320689467 934089480 /nfs/dbraw/zinc/08/94/80/934089480.db2.gz FMMSIDIEGFLELX-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C(C)C)C1 ZINC001330355126 935286862 /nfs/dbraw/zinc/28/68/62/935286862.db2.gz YVLXUSPBHHFPOR-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC001331835002 935412840 /nfs/dbraw/zinc/41/28/40/935412840.db2.gz ODESFSXSLOTIBJ-GOEBONIOSA-N 1 3 260.425 3.268 20 0 CGADHO CSCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001335534487 936151611 /nfs/dbraw/zinc/15/16/11/936151611.db2.gz WYBSXCPZCMYXNH-YOEHRIQHSA-N 1 3 292.492 3.322 20 0 CGADHO CSCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001335534487 936151614 /nfs/dbraw/zinc/15/16/14/936151614.db2.gz WYBSXCPZCMYXNH-YOEHRIQHSA-N 1 3 292.492 3.322 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)nc2)C1 ZINC001335972802 936170564 /nfs/dbraw/zinc/17/05/64/936170564.db2.gz OTWWTZHDTNWENJ-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO CC(C)(C[NH2+]C1CCC2(CSC2)CC1)CN1CCCC1 ZINC001474498813 937863439 /nfs/dbraw/zinc/86/34/39/937863439.db2.gz YPUQWJLEDSVMQJ-UHFFFAOYSA-N 1 3 296.524 3.374 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2OCc3ccccc32)CC1 ZINC001474752365 937879025 /nfs/dbraw/zinc/87/90/25/937879025.db2.gz WILPBTLLODKAKC-QGZVFWFLSA-N 1 3 288.435 3.110 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC001549711936 938158815 /nfs/dbraw/zinc/15/88/15/938158815.db2.gz ZUZBVTFPOGUCLD-ZJIFWQFVSA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C(C)(C)C ZINC001551389136 938181046 /nfs/dbraw/zinc/18/10/46/938181046.db2.gz IXSRWSLGQAAYHR-HPUBIQBYSA-N 1 3 282.472 3.044 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC001553024374 938195958 /nfs/dbraw/zinc/19/59/58/938195958.db2.gz ANEUMNAVPVGKLB-AVEIZBFRSA-N 1 3 284.447 3.156 20 0 CGADHO CCCN1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001560251462 938249608 /nfs/dbraw/zinc/24/96/08/938249608.db2.gz QWGGBISJTGEHFR-ONEGZZNKSA-N 1 3 294.389 3.442 20 0 CGADHO CCC1(C[NH2+]CC[C@@H](C)N2CCCCC2)CCOCC1 ZINC001560436401 938258355 /nfs/dbraw/zinc/25/83/55/938258355.db2.gz DUSKUKWQCPEOSR-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@H](C)N(C)C ZINC001560546849 938262118 /nfs/dbraw/zinc/26/21/18/938262118.db2.gz LCNUEAMUXYGFNN-ZDUSSCGKSA-N 1 3 268.832 3.387 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+]C[C@@H]2CN3CCC2CC3)C1 ZINC001561034096 938290701 /nfs/dbraw/zinc/29/07/01/938290701.db2.gz HFAMGBNILHNQOF-GDBMZVCRSA-N 1 3 264.457 3.134 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(CCc2ccc(F)c(F)c2)C1 ZINC001575115304 962344765 /nfs/dbraw/zinc/34/47/65/962344765.db2.gz FEVOOBSLWXUJFF-QGZVFWFLSA-N 1 3 296.405 3.204 20 0 CGADHO CC(C)(CN[C@H]1CC[NH2+]C2(CCC2)C1)Oc1ccccc1 ZINC001575334087 962360388 /nfs/dbraw/zinc/36/03/88/962360388.db2.gz CUQYQWOXKCSTGC-HNNXBMFYSA-N 1 3 288.435 3.108 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC2(CCC2)C1)Oc1ccccc1 ZINC001575334087 962360404 /nfs/dbraw/zinc/36/04/04/962360404.db2.gz CUQYQWOXKCSTGC-HNNXBMFYSA-N 1 3 288.435 3.108 20 0 CGADHO CC(C)CSCCC[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001575616520 962401012 /nfs/dbraw/zinc/40/10/12/962401012.db2.gz APWFWYOQJOZBJD-CVEARBPZSA-N 1 3 284.513 3.217 20 0 CGADHO CC(C)CSCCC[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001575616520 962401020 /nfs/dbraw/zinc/40/10/20/962401020.db2.gz APWFWYOQJOZBJD-CVEARBPZSA-N 1 3 284.513 3.217 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](CN)C(C)C ZINC001575593102 962404763 /nfs/dbraw/zinc/40/47/63/962404763.db2.gz FUXWQNSANJTGCS-QGZVFWFLSA-N 1 3 262.441 3.376 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)C[C@@H](CN)C(C)C ZINC001575593102 962404777 /nfs/dbraw/zinc/40/47/77/962404777.db2.gz FUXWQNSANJTGCS-QGZVFWFLSA-N 1 3 262.441 3.376 20 0 CGADHO C[C@@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@H]1C[NH3+] ZINC001576731211 962492123 /nfs/dbraw/zinc/49/21/23/962492123.db2.gz GMKDOSOAKFYMKK-VXGBXAGGSA-N 1 3 290.432 3.024 20 0 CGADHO CCC(CC)(CN)C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001577052389 962507043 /nfs/dbraw/zinc/50/70/43/962507043.db2.gz QLZZMKSQCLKUML-HUUCEWRRSA-N 1 3 296.405 3.390 20 0 CGADHO CCC(CC)(C[NH3+])CNC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001577052389 962507050 /nfs/dbraw/zinc/50/70/50/962507050.db2.gz QLZZMKSQCLKUML-HUUCEWRRSA-N 1 3 296.405 3.390 20 0 CGADHO COc1cccc(CN(CC(C)C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001579274053 962621750 /nfs/dbraw/zinc/62/17/50/962621750.db2.gz LQUMIGWMDMRGNW-QGZVFWFLSA-N 1 3 290.451 3.153 20 0 CGADHO C[C@]1(C[N@@H+]2CCCC[C@H]2CCN)C[C@@H]1c1ccccc1 ZINC001579509273 962627355 /nfs/dbraw/zinc/62/73/55/962627355.db2.gz DAIMZYWBICQRBP-RCCFBDPRSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@]1(C[N@H+]2CCCC[C@H]2CCN)C[C@@H]1c1ccccc1 ZINC001579509273 962627359 /nfs/dbraw/zinc/62/73/59/962627359.db2.gz DAIMZYWBICQRBP-RCCFBDPRSA-N 1 3 272.436 3.384 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC001579738283 962664437 /nfs/dbraw/zinc/66/44/37/962664437.db2.gz LUIQPJBPAGGVRG-NVXWUHKLSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCCN2)c1 ZINC001579759816 962669234 /nfs/dbraw/zinc/66/92/34/962669234.db2.gz YQDUFGWSGGSAHN-WBVHZDCISA-N 1 3 260.425 3.048 20 0 CGADHO Fc1cccc2c1CCN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001580034076 962689661 /nfs/dbraw/zinc/68/96/61/962689661.db2.gz GKCZBTRCOJNZDP-VHRNVKJDSA-N 1 3 288.410 3.105 20 0 CGADHO Fc1ccc(CCN2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC001580030014 962690871 /nfs/dbraw/zinc/69/08/71/962690871.db2.gz FFSUUNAFETWTPE-FUHWJXTLSA-N 1 3 290.426 3.222 20 0 CGADHO CC(C)Oc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125253542 187176673 /nfs/dbraw/zinc/17/66/73/187176673.db2.gz VBXSSWSUWOEOPH-JQHSSLGASA-N 1 3 288.435 3.033 20 0 CGADHO C[C@@]1(C[NH3+])CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000337765649 214252699 /nfs/dbraw/zinc/25/26/99/214252699.db2.gz SJNRDIQTXOSIIQ-IBGZPJMESA-N 1 3 298.430 3.279 20 0 CGADHO C[C@@]1(CN)CC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000337765649 214252700 /nfs/dbraw/zinc/25/27/00/214252700.db2.gz SJNRDIQTXOSIIQ-IBGZPJMESA-N 1 3 298.430 3.279 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000337765649 214252702 /nfs/dbraw/zinc/25/27/02/214252702.db2.gz SJNRDIQTXOSIIQ-IBGZPJMESA-N 1 3 298.430 3.279 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000651864998 398298206 /nfs/dbraw/zinc/29/82/06/398298206.db2.gz KOTSJSABYVCZCI-KZNAEPCWSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)C[N@H+](C)CCCNC[C@@H]1CCOc2ccccc21 ZINC000651866169 398298865 /nfs/dbraw/zinc/29/88/65/398298865.db2.gz XMFVLOOCEKRPPQ-INIZCTEOSA-N 1 3 290.451 3.120 20 0 CGADHO CC(C)C[N@@H+](C)CCCNC[C@@H]1CCOc2ccccc21 ZINC000651866169 398298867 /nfs/dbraw/zinc/29/88/67/398298867.db2.gz XMFVLOOCEKRPPQ-INIZCTEOSA-N 1 3 290.451 3.120 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[C@@H](C)N ZINC000422974756 529425712 /nfs/dbraw/zinc/42/57/12/529425712.db2.gz AHDBPNDPSQMYPU-LALPHHSUSA-N 1 3 268.832 3.377 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)NC[C@@H](C)C[NH3+] ZINC000423300896 529532469 /nfs/dbraw/zinc/53/24/69/529532469.db2.gz SLCMLBLSNGAGRI-AAEUAGOBSA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN ZINC000423300896 529532472 /nfs/dbraw/zinc/53/24/72/529532472.db2.gz SLCMLBLSNGAGRI-AAEUAGOBSA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc(OC)cc1 ZINC000423287273 529590805 /nfs/dbraw/zinc/59/08/05/529590805.db2.gz LEYBJMKGNWWZAC-HNNXBMFYSA-N 1 3 264.413 3.253 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1cccs1 ZINC000126090848 187215964 /nfs/dbraw/zinc/21/59/64/187215964.db2.gz MGJIHCLRUOXTNM-CHWSQXEVSA-N 1 3 266.454 3.133 20 0 CGADHO CC[C@H](NCCCC[NH3+])c1cccc(Cl)c1F ZINC000423317105 529596299 /nfs/dbraw/zinc/59/62/99/529596299.db2.gz CDPNGZSOHDGDLY-LBPRGKRZSA-N 1 3 258.768 3.259 20 0 CGADHO CCc1cccnc1[C@H](C)NCC1CC[NH+](C2CC2)CC1 ZINC000447566124 529623069 /nfs/dbraw/zinc/62/30/69/529623069.db2.gz QMNGSZXFDBCXCX-AWEZNQCLSA-N 1 3 287.451 3.169 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccncc1Cl ZINC000623358268 349788135 /nfs/dbraw/zinc/78/81/35/349788135.db2.gz WIKPGVYFAOPQDU-AWEZNQCLSA-N 1 3 295.858 3.479 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccncc1Cl ZINC000623358268 349788138 /nfs/dbraw/zinc/78/81/38/349788138.db2.gz WIKPGVYFAOPQDU-AWEZNQCLSA-N 1 3 295.858 3.479 20 0 CGADHO CC1CC[NH+](CCCCNCc2ccncc2Cl)CC1 ZINC000623358653 349788368 /nfs/dbraw/zinc/78/83/68/349788368.db2.gz LOELEPXSVWFBSF-UHFFFAOYSA-N 1 3 295.858 3.337 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(OC(F)F)cc1 ZINC000423453467 529651378 /nfs/dbraw/zinc/65/13/78/529651378.db2.gz XQYGEHRLAKYGRB-NRUUGDAUSA-N 1 3 272.339 3.064 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623408029 349800742 /nfs/dbraw/zinc/80/07/42/349800742.db2.gz FALVJABTNAYLMO-RDJZCZTQSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408029 349800745 /nfs/dbraw/zinc/80/07/45/349800745.db2.gz FALVJABTNAYLMO-RDJZCZTQSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405858 349801065 /nfs/dbraw/zinc/80/10/65/349801065.db2.gz AQBQVNFBKDQBPQ-PBHICJAKSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405858 349801067 /nfs/dbraw/zinc/80/10/67/349801067.db2.gz AQBQVNFBKDQBPQ-PBHICJAKSA-N 1 3 272.436 3.445 20 0 CGADHO CCC(CC)[C@@H](N[C@@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422934161 282240007 /nfs/dbraw/zinc/24/00/07/282240007.db2.gz JASITYHVPSMJRP-XHDPSFHLSA-N 1 3 266.454 3.423 20 0 CGADHO CCC(CC)[C@@H]([NH2+][C@@H](C)C1CNC1)c1cccs1 ZINC000422934161 282240008 /nfs/dbraw/zinc/24/00/08/282240008.db2.gz JASITYHVPSMJRP-XHDPSFHLSA-N 1 3 266.454 3.423 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192932659 282258245 /nfs/dbraw/zinc/25/82/45/282258245.db2.gz FLFZYJJZGRGULT-RVKKMQEKSA-N 1 3 287.451 3.396 20 0 CGADHO Cc1cnc([C@@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623492294 349819776 /nfs/dbraw/zinc/81/97/76/349819776.db2.gz SEEFXNYSUFWIJY-AAEUAGOBSA-N 1 3 281.469 3.017 20 0 CGADHO Cc1cnc([C@@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623492294 349819779 /nfs/dbraw/zinc/81/97/79/349819779.db2.gz SEEFXNYSUFWIJY-AAEUAGOBSA-N 1 3 281.469 3.017 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@H]2CCC[C@H]21 ZINC000423436692 529806516 /nfs/dbraw/zinc/80/65/16/529806516.db2.gz FPQJZIDHJHHKNR-NZSAHSFTSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@H]2CCC[C@H]21 ZINC000423436692 529806517 /nfs/dbraw/zinc/80/65/17/529806517.db2.gz FPQJZIDHJHHKNR-NZSAHSFTSA-N 1 3 299.462 3.007 20 0 CGADHO Cc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1C ZINC000351495018 219106263 /nfs/dbraw/zinc/10/62/63/219106263.db2.gz PHBRHSHEIIMUJQ-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1C ZINC000351495018 219106264 /nfs/dbraw/zinc/10/62/64/219106264.db2.gz PHBRHSHEIIMUJQ-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CSc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)s1 ZINC000623657399 349859351 /nfs/dbraw/zinc/85/93/51/349859351.db2.gz PVSCCCBUPKNSTB-LBPRGKRZSA-N 1 3 284.494 3.292 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480236059 534957195 /nfs/dbraw/zinc/95/71/95/534957195.db2.gz YNWITRCBWYYMKJ-QWHCGFSZSA-N 1 3 280.378 3.429 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H](C)[C@H]1CCCCO1 ZINC000623886125 349905853 /nfs/dbraw/zinc/90/58/53/349905853.db2.gz SWCRTOVRRPRSFM-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)c1cccc2ccccc21 ZINC000423279699 529986246 /nfs/dbraw/zinc/98/62/46/529986246.db2.gz SUNBMZVWSNODCT-ZIAGYGMSSA-N 1 3 256.393 3.346 20 0 CGADHO C[N@H+](CCCNCc1ccc(O)cc1)Cc1ccccc1 ZINC000019913200 344890949 /nfs/dbraw/zinc/89/09/49/344890949.db2.gz XYRVYCKPWBIOJX-UHFFFAOYSA-N 1 3 284.403 3.004 20 0 CGADHO C[N@@H+](CCCNCc1ccc(O)cc1)Cc1ccccc1 ZINC000019913200 344890952 /nfs/dbraw/zinc/89/09/52/344890952.db2.gz XYRVYCKPWBIOJX-UHFFFAOYSA-N 1 3 284.403 3.004 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000044517457 345012239 /nfs/dbraw/zinc/01/22/39/345012239.db2.gz USBOHFYMQGKDNL-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCCOc2ccc(Cl)cc2)C1 ZINC000070174729 345388356 /nfs/dbraw/zinc/38/83/56/345388356.db2.gz GUOLWVWSJSHCIB-KBPBESRZSA-N 1 3 296.842 3.168 20 0 CGADHO CCC[N@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000127553205 187314965 /nfs/dbraw/zinc/31/49/65/187314965.db2.gz JGGOQOSXXVHONE-UHFFFAOYSA-N 1 3 289.467 3.059 20 0 CGADHO CCC[N@@H+](C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000127553205 187314966 /nfs/dbraw/zinc/31/49/66/187314966.db2.gz JGGOQOSXXVHONE-UHFFFAOYSA-N 1 3 289.467 3.059 20 0 CGADHO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243212 346090162 /nfs/dbraw/zinc/09/01/62/346090162.db2.gz QLVOKEGJGIFZMC-SUMWQHHRSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243212 346090166 /nfs/dbraw/zinc/09/01/66/346090166.db2.gz QLVOKEGJGIFZMC-SUMWQHHRSA-N 1 3 258.409 3.095 20 0 CGADHO C([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000624032794 349950663 /nfs/dbraw/zinc/95/06/63/349950663.db2.gz ZHQXUBMGCZSLIJ-OAGGEKHMSA-N 1 3 276.468 3.419 20 0 CGADHO CC(C)(C)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000236620414 346341764 /nfs/dbraw/zinc/34/17/64/346341764.db2.gz LJMYVTJXZNMWRQ-QGZVFWFLSA-N 1 3 274.452 3.187 20 0 CGADHO CC1CCC([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000236690120 346342455 /nfs/dbraw/zinc/34/24/55/346342455.db2.gz UDSPXCBNYSVUDP-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000624119648 349975405 /nfs/dbraw/zinc/97/54/05/349975405.db2.gz GPYLKNAGVGEABR-ZFWWWQNUSA-N 1 3 278.465 3.447 20 0 CGADHO Clc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357042524 282507814 /nfs/dbraw/zinc/50/78/14/282507814.db2.gz FAGBILZFHFHKLH-OAHLLOKOSA-N 1 3 278.827 3.162 20 0 CGADHO CCN(CCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000119203400 370654103 /nfs/dbraw/zinc/65/41/03/370654103.db2.gz VVUCAUXHCXKKAT-QGZVFWFLSA-N 1 3 260.425 3.035 20 0 CGADHO CCN(CCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000119203400 370654107 /nfs/dbraw/zinc/65/41/07/370654107.db2.gz VVUCAUXHCXKKAT-QGZVFWFLSA-N 1 3 260.425 3.035 20 0 CGADHO C[C@H](CSCCF)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000595011375 347256501 /nfs/dbraw/zinc/25/65/01/347256501.db2.gz HGTFJKIVJFXNNU-CYBMUJFWSA-N 1 3 288.476 3.074 20 0 CGADHO C[C@H](CSCCF)NC1CC[NH+](C2CCCC2)CC1 ZINC000595011375 347256503 /nfs/dbraw/zinc/25/65/03/347256503.db2.gz HGTFJKIVJFXNNU-CYBMUJFWSA-N 1 3 288.476 3.074 20 0 CGADHO CCSCC[C@@H](C)[N@H+](C)Cc1cccc2c1CCNC2 ZINC000595884379 347370304 /nfs/dbraw/zinc/37/03/04/347370304.db2.gz DYAVXBFOVXYDPB-CQSZACIVSA-N 1 3 292.492 3.296 20 0 CGADHO CCSCC[C@@H](C)[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000595884379 347370307 /nfs/dbraw/zinc/37/03/07/347370307.db2.gz DYAVXBFOVXYDPB-CQSZACIVSA-N 1 3 292.492 3.296 20 0 CGADHO CSCC1(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000596648939 347497755 /nfs/dbraw/zinc/49/77/55/347497755.db2.gz BNPIWRKEGZMYSJ-LSDHHAIUSA-N 1 3 276.449 3.254 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862493 219229860 /nfs/dbraw/zinc/22/98/60/219229860.db2.gz POIYMZOYUQNEEG-HUUCEWRRSA-N 1 3 290.451 3.032 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000624122923 349981517 /nfs/dbraw/zinc/98/15/17/349981517.db2.gz BGCVEGYDWBWUOF-PBHICJAKSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@@H](C)C1 ZINC000624122092 349980657 /nfs/dbraw/zinc/98/06/57/349980657.db2.gz JMHIZLJWJIDTEU-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000624122926 349981973 /nfs/dbraw/zinc/98/19/73/349981973.db2.gz BGCVEGYDWBWUOF-YOEHRIQHSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCCCCOc2ccccc2)C1 ZINC000339407548 215152511 /nfs/dbraw/zinc/15/25/11/215152511.db2.gz OYJDZWJSFJCAFE-IRXDYDNUSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CC1(C)C ZINC000624123281 349982625 /nfs/dbraw/zinc/98/26/25/349982625.db2.gz IYCDDWUBIIDWBE-KKUMJFAQSA-N 1 3 252.446 3.133 20 0 CGADHO CCc1ccc(CCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901187 348205341 /nfs/dbraw/zinc/20/53/41/348205341.db2.gz KFHVROBCOYDNDR-LJQANCHMSA-N 1 3 286.463 3.209 20 0 CGADHO COc1cc(C)c([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1C ZINC000273431842 192147605 /nfs/dbraw/zinc/14/76/05/192147605.db2.gz ZFONTXAZXGPVFY-HNNXBMFYSA-N 1 3 288.435 3.225 20 0 CGADHO CO[C@@H](C)[C@@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000358039291 233045194 /nfs/dbraw/zinc/04/51/94/233045194.db2.gz ACUKXXRVXXYGNG-CABCVRRESA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@@H](C)[C@@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039291 233045198 /nfs/dbraw/zinc/04/51/98/233045198.db2.gz ACUKXXRVXXYGNG-CABCVRRESA-N 1 3 278.440 3.040 20 0 CGADHO CC[N@H+](CCCOC(C)C)Cc1ccc(CN(C)C)cc1 ZINC000626062416 350254682 /nfs/dbraw/zinc/25/46/82/350254682.db2.gz RNPPYQRRBZPYFV-UHFFFAOYSA-N 1 3 292.467 3.385 20 0 CGADHO CC[N@@H+](CCCOC(C)C)Cc1ccc(CN(C)C)cc1 ZINC000626062416 350254684 /nfs/dbraw/zinc/25/46/84/350254684.db2.gz RNPPYQRRBZPYFV-UHFFFAOYSA-N 1 3 292.467 3.385 20 0 CGADHO CC[N@H+](CC[C@H]1CCCO1)Cc1ccc(CN(C)C)cc1 ZINC000626062740 350254772 /nfs/dbraw/zinc/25/47/72/350254772.db2.gz FCHCQHOUHOFVEN-GOSISDBHSA-N 1 3 290.451 3.139 20 0 CGADHO CC[N@@H+](CC[C@H]1CCCO1)Cc1ccc(CN(C)C)cc1 ZINC000626062740 350254773 /nfs/dbraw/zinc/25/47/73/350254773.db2.gz FCHCQHOUHOFVEN-GOSISDBHSA-N 1 3 290.451 3.139 20 0 CGADHO C[C@@]1(C[NH+]2CCC(N3CCCCC3)CC2)CCCS1 ZINC000628129593 350404459 /nfs/dbraw/zinc/40/44/59/350404459.db2.gz KQIBWCACNYUBHP-INIZCTEOSA-N 1 3 282.497 3.222 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000628278472 350475635 /nfs/dbraw/zinc/47/56/35/350475635.db2.gz RMSAIYUALSWSPR-SJORKVTESA-N 1 3 274.452 3.418 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000628425943 350536611 /nfs/dbraw/zinc/53/66/11/350536611.db2.gz ZYGNOUOWQPEDGG-QLFBSQMISA-N 1 3 284.513 3.228 20 0 CGADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000629529195 350703909 /nfs/dbraw/zinc/70/39/09/350703909.db2.gz UYPXLWKICPFJRH-INIZCTEOSA-N 1 3 298.430 3.240 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN2)CC1 ZINC000629531374 350704009 /nfs/dbraw/zinc/70/40/09/350704009.db2.gz ITYFAWLHEDLUQK-QAETUUGQSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555824 350712754 /nfs/dbraw/zinc/71/27/54/350712754.db2.gz FXWMVTYIYHJCFD-JRPNMDOOSA-N 1 3 266.816 3.433 20 0 CGADHO CC(C)(C)CCCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565640 350713872 /nfs/dbraw/zinc/71/38/72/350713872.db2.gz WSKGJDGSIYCFLH-RYUDHWBXSA-N 1 3 280.378 3.272 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629513124 350699574 /nfs/dbraw/zinc/69/95/74/350699574.db2.gz DXRUOMFYIZOFAI-XLNGHYISSA-N 1 3 272.436 3.156 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000631666791 351111302 /nfs/dbraw/zinc/11/13/02/351111302.db2.gz HYEAJVKQBWAUEA-LZLYRXPVSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000631666791 351111306 /nfs/dbraw/zinc/11/13/06/351111306.db2.gz HYEAJVKQBWAUEA-LZLYRXPVSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CCOC(C)(C)C1)C(C)C ZINC000634679988 351565970 /nfs/dbraw/zinc/56/59/70/351565970.db2.gz IMWXLXYKNCQNRM-HNNXBMFYSA-N 1 3 270.461 3.043 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3ncccc23)C[C@H]1CN ZINC000634687974 351573725 /nfs/dbraw/zinc/57/37/25/351573725.db2.gz DYYWOXNUQYBYDS-IIAWOOMASA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@H]1CN ZINC000634687974 351573727 /nfs/dbraw/zinc/57/37/27/351573727.db2.gz DYYWOXNUQYBYDS-IIAWOOMASA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cccc3ncccc23)C[C@H]1C[NH3+] ZINC000634687974 351573729 /nfs/dbraw/zinc/57/37/29/351573729.db2.gz DYYWOXNUQYBYDS-IIAWOOMASA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCNCC(C)(C)C1)c1ccc(F)cc1 ZINC000634733945 351579943 /nfs/dbraw/zinc/57/99/43/351579943.db2.gz SIKSXXQUDHFPPA-BBRMVZONSA-N 1 3 278.415 3.297 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003974 351621605 /nfs/dbraw/zinc/62/16/05/351621605.db2.gz GGIOOPRXVOVPJQ-CRAIPNDOSA-N 1 3 298.430 3.306 20 0 CGADHO C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccs1 ZINC000635004726 351622739 /nfs/dbraw/zinc/62/27/39/351622739.db2.gz KEENZZLUKCQVGM-UKRRQHHQSA-N 1 3 274.433 3.359 20 0 CGADHO CC[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006042 351623818 /nfs/dbraw/zinc/62/38/18/351623818.db2.gz KQUWJZJIARWNSY-ZWKOTPCHSA-N 1 3 283.419 3.082 20 0 CGADHO COc1cccc([C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000635007367 351625373 /nfs/dbraw/zinc/62/53/73/351625373.db2.gz WDTSLSCWHSHORQ-MAUKXSAKSA-N 1 3 298.430 3.306 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000635008231 351626447 /nfs/dbraw/zinc/62/64/47/351626447.db2.gz SIEQPJWYNIZYMY-HUUCEWRRSA-N 1 3 290.451 3.432 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010086 351628334 /nfs/dbraw/zinc/62/83/34/351628334.db2.gz YECJVSLEKFZVLD-WMLDXEAASA-N 1 3 260.425 3.115 20 0 CGADHO Cc1cccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000635011567 351630036 /nfs/dbraw/zinc/63/00/36/351630036.db2.gz QUEUORSYYMHJML-OAHLLOKOSA-N 1 3 280.415 3.492 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000122064445 187013133 /nfs/dbraw/zinc/01/31/33/187013133.db2.gz GJTUWMCTIOIEJT-ZACQAIPSSA-N 1 3 294.483 3.043 20 0 CGADHO Cc1oc2ccccc2c1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000123584242 187099628 /nfs/dbraw/zinc/09/96/28/187099628.db2.gz NGCLJSHQRQSYKA-OCCSQVGLSA-N 1 3 272.392 3.300 20 0 CGADHO C[C@@H](c1ccccn1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123592544 187099735 /nfs/dbraw/zinc/09/97/35/187099735.db2.gz IDNMLVNHPHNJAC-HNNXBMFYSA-N 1 3 275.440 3.196 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CC(C)(C)c2ccccc2)CC1 ZINC000365451593 234104193 /nfs/dbraw/zinc/10/41/93/234104193.db2.gz BOUYDDTUINXLPS-QGZVFWFLSA-N 1 3 274.452 3.380 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)CC1 ZINC000365451593 234104198 /nfs/dbraw/zinc/10/41/98/234104198.db2.gz BOUYDDTUINXLPS-QGZVFWFLSA-N 1 3 274.452 3.380 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CC(C)(C)c2ccccc2)CC1 ZINC000365451593 234104203 /nfs/dbraw/zinc/10/42/03/234104203.db2.gz BOUYDDTUINXLPS-QGZVFWFLSA-N 1 3 274.452 3.380 20 0 CGADHO c1[nH]nc2c1[C@H](NCCCCC[NH+]1CCCCC1)CCC2 ZINC000367741160 234247797 /nfs/dbraw/zinc/24/77/97/234247797.db2.gz RMCNJKYFGHSLOH-MRXNPFEDSA-N 1 3 290.455 3.033 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000158767344 188392597 /nfs/dbraw/zinc/39/25/97/188392597.db2.gz WEISWJJHJUAQEO-MSOLQXFVSA-N 1 3 272.436 3.035 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000158767344 188392599 /nfs/dbraw/zinc/39/25/99/188392599.db2.gz WEISWJJHJUAQEO-MSOLQXFVSA-N 1 3 272.436 3.035 20 0 CGADHO CCc1oc2ccccc2c1CNCC1=CC[N@H+](C)CC1 ZINC000271776957 191321390 /nfs/dbraw/zinc/32/13/90/191321390.db2.gz CRBIICZYPZIMAC-UHFFFAOYSA-N 1 3 284.403 3.347 20 0 CGADHO CCc1oc2ccccc2c1CNCC1=CC[N@@H+](C)CC1 ZINC000271776957 191321392 /nfs/dbraw/zinc/32/13/92/191321392.db2.gz CRBIICZYPZIMAC-UHFFFAOYSA-N 1 3 284.403 3.347 20 0 CGADHO Cc1cc(N2CCN(Cc3ccccc3)[C@@H](C)C2)cc[nH+]1 ZINC000413535689 235287891 /nfs/dbraw/zinc/28/78/91/235287891.db2.gz UFGRUJQMAPRIPI-INIZCTEOSA-N 1 3 281.403 3.101 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000414179663 235355937 /nfs/dbraw/zinc/35/59/37/235355937.db2.gz LMEKLIRBMVCOET-KBPBESRZSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179663 235355939 /nfs/dbraw/zinc/35/59/39/235355939.db2.gz LMEKLIRBMVCOET-KBPBESRZSA-N 1 3 264.388 3.208 20 0 CGADHO Cc1ccccc1CCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399738 235746556 /nfs/dbraw/zinc/74/65/56/235746556.db2.gz OGJNJTRRFHLACN-MOPGFXCFSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488459 138346970 /nfs/dbraw/zinc/34/69/70/138346970.db2.gz BERCVPZOADRPSN-FGTMMUONSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000110644965 138363329 /nfs/dbraw/zinc/36/33/29/138363329.db2.gz TWHNWENJPDPEEK-NEPJUHHUSA-N 1 3 266.816 3.460 20 0 CGADHO C(C[NH2+]CCCN1CCCC1)CC1CCCCC1 ZINC000124289792 138373915 /nfs/dbraw/zinc/37/39/15/138373915.db2.gz BMAOIMCBCZSGFB-UHFFFAOYSA-N 1 3 252.446 3.422 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000128975445 138395874 /nfs/dbraw/zinc/39/58/74/138395874.db2.gz LMKLTDLIQLBKOH-UHFFFAOYSA-N 1 3 272.795 3.157 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162550 138396081 /nfs/dbraw/zinc/39/60/81/138396081.db2.gz DHCAHSVGFRNDTL-RDJZCZTQSA-N 1 3 290.476 3.195 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCSc3ccccc3)CC[C@@H]21 ZINC000129162550 138396083 /nfs/dbraw/zinc/39/60/83/138396083.db2.gz DHCAHSVGFRNDTL-RDJZCZTQSA-N 1 3 290.476 3.195 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423224752 236000665 /nfs/dbraw/zinc/00/06/65/236000665.db2.gz KDNOCZXRUYEOKX-NJZAAPMLSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423224752 236000667 /nfs/dbraw/zinc/00/06/67/236000667.db2.gz KDNOCZXRUYEOKX-NJZAAPMLSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NCC(C)(C)[NH3+] ZINC000423286274 236023447 /nfs/dbraw/zinc/02/34/47/236023447.db2.gz GJJJTRJFGAAQQR-QWRGUYRKSA-N 1 3 254.805 3.159 20 0 CGADHO Cc1cc([C@H]([NH2+]C[C@H](N)C(C)C)C2CC2)ccc1F ZINC000423266153 236014509 /nfs/dbraw/zinc/01/45/09/236014509.db2.gz DFIRTUUQIFWZFY-JKSUJKDBSA-N 1 3 264.388 3.158 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc(C)c1F ZINC000423273064 236017966 /nfs/dbraw/zinc/01/79/66/236017966.db2.gz KGXAOJUTXGKVBW-GXTWGEPZSA-N 1 3 252.377 3.076 20 0 CGADHO c1ccc([C@@H](NCC2C[NH2+]C2)C2CCCCC2)cc1 ZINC000423308785 236033670 /nfs/dbraw/zinc/03/36/70/236033670.db2.gz YJHYMPPQEOHGSD-QGZVFWFLSA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc([C@@H]([NH2+]CC2CNC2)C2CCCCC2)cc1 ZINC000423308785 236033671 /nfs/dbraw/zinc/03/36/71/236033671.db2.gz YJHYMPPQEOHGSD-QGZVFWFLSA-N 1 3 258.409 3.117 20 0 CGADHO [NH3+][C@H](CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423311999 236034153 /nfs/dbraw/zinc/03/41/53/236034153.db2.gz CJOHEESTIGDACI-CWRNSKLLSA-N 1 3 278.827 3.303 20 0 CGADHO CSc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1F ZINC000423342398 236044321 /nfs/dbraw/zinc/04/43/21/236044321.db2.gz KWJWQFITVSRZHO-LLVKDONJSA-N 1 3 280.412 3.118 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423383458 236057771 /nfs/dbraw/zinc/05/77/71/236057771.db2.gz FFGNDDBUVSBWHK-YQPCPPDFSA-N 1 3 276.399 3.037 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423406953 236066330 /nfs/dbraw/zinc/06/63/30/236066330.db2.gz ZNWQGKVSXMPCRD-HNNXBMFYSA-N 1 3 280.415 3.319 20 0 CGADHO Cc1cc(C)c([C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)cc1C ZINC000423408922 236066843 /nfs/dbraw/zinc/06/68/43/236066843.db2.gz YECZPOCOTAEOHE-HLLBOEOZSA-N 1 3 260.425 3.260 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1C ZINC000423408922 236066846 /nfs/dbraw/zinc/06/68/46/236066846.db2.gz YECZPOCOTAEOHE-HLLBOEOZSA-N 1 3 260.425 3.260 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)CN(C)C ZINC000425922165 236273085 /nfs/dbraw/zinc/27/30/85/236273085.db2.gz MRECDIQFPYWVPZ-NJAFHUGGSA-N 1 3 274.452 3.185 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)CN(C)C ZINC000425951508 236275328 /nfs/dbraw/zinc/27/53/28/236275328.db2.gz MWVNWZGCNDRWNQ-DJIMGWMZSA-N 1 3 260.425 3.110 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000426286121 236286640 /nfs/dbraw/zinc/28/66/40/236286640.db2.gz LDZANKNZGSVQGG-WBVHZDCISA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000426286121 236286641 /nfs/dbraw/zinc/28/66/41/236286641.db2.gz LDZANKNZGSVQGG-WBVHZDCISA-N 1 3 296.499 3.292 20 0 CGADHO [NH3+]C1CCC(NCc2cc(Cl)sc2Cl)CC1 ZINC000312588995 138586227 /nfs/dbraw/zinc/58/62/27/138586227.db2.gz UPSUWELAOIFUKU-UHFFFAOYSA-N 1 3 279.236 3.414 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@@H]2CCCN(CC)C2)c1 ZINC000479480847 535432607 /nfs/dbraw/zinc/43/26/07/535432607.db2.gz TWOLMTGJKKDTRL-SFHVURJKSA-N 1 3 274.452 3.461 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000156460927 299289430 /nfs/dbraw/zinc/28/94/30/299289430.db2.gz JHNATZKPEJMTTJ-HOTGVXAUSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000156460927 299289435 /nfs/dbraw/zinc/28/94/35/299289435.db2.gz JHNATZKPEJMTTJ-HOTGVXAUSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCC(F)(F)F ZINC000148640134 296000275 /nfs/dbraw/zinc/00/02/75/296000275.db2.gz ZDKMGHHYVDKCJL-RYUDHWBXSA-N 1 3 266.351 3.229 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1csc(C)c1 ZINC000297603633 200238995 /nfs/dbraw/zinc/23/89/95/200238995.db2.gz ICLGNVFQAVLIKX-DZGCQCFKSA-N 1 3 284.469 3.064 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423125315 283503186 /nfs/dbraw/zinc/50/31/86/283503186.db2.gz QIYCPLNAPXMRNZ-BDXSIMOUSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000449237549 239260837 /nfs/dbraw/zinc/26/08/37/239260837.db2.gz BZQYJVSJRFURKJ-CABCVRRESA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](Cc1ccoc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000449237549 239260841 /nfs/dbraw/zinc/26/08/41/239260841.db2.gz BZQYJVSJRFURKJ-CABCVRRESA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC(C)(C)CO)CC2)C1 ZINC000449406857 239393065 /nfs/dbraw/zinc/39/30/65/239393065.db2.gz DBLVZIHLCDJSJI-DOTOQJQBSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCC(C)(C)CO)CC2)C1 ZINC000449406857 239393071 /nfs/dbraw/zinc/39/30/71/239393071.db2.gz DBLVZIHLCDJSJI-DOTOQJQBSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120534216 370778992 /nfs/dbraw/zinc/77/89/92/370778992.db2.gz UGNRRFWFVMFVDH-OBJOEFQTSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000120534216 370778993 /nfs/dbraw/zinc/77/89/93/370778993.db2.gz UGNRRFWFVMFVDH-OBJOEFQTSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000450727193 240054435 /nfs/dbraw/zinc/05/44/35/240054435.db2.gz LZUGZSNPSUQEGU-OCCSQVGLSA-N 1 3 286.410 3.274 20 0 CGADHO C(CN1CCC[C@@]2(CCSC2)C1)C[NH+]1CCCCC1 ZINC000451988431 240389825 /nfs/dbraw/zinc/38/98/25/240389825.db2.gz ZYKMNYBFTUQYSZ-MRXNPFEDSA-N 1 3 282.497 3.082 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275869330 193151692 /nfs/dbraw/zinc/15/16/92/193151692.db2.gz NYSJWAXHKCQVMQ-OALUTQOASA-N 1 3 284.447 3.348 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000251233638 299369344 /nfs/dbraw/zinc/36/93/44/299369344.db2.gz BTEGCKPOUXRJKS-ITDIGPHOSA-N 1 3 268.351 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000459431668 242105441 /nfs/dbraw/zinc/10/54/41/242105441.db2.gz SHGRTLQRKYPHGV-HZPDHXFCSA-N 1 3 280.843 3.345 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCc2cccc(Cl)c2)C1 ZINC000459431668 242105445 /nfs/dbraw/zinc/10/54/45/242105445.db2.gz SHGRTLQRKYPHGV-HZPDHXFCSA-N 1 3 280.843 3.345 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@H]1CC1(C)C ZINC000486939677 243381264 /nfs/dbraw/zinc/38/12/64/243381264.db2.gz QOLZORDIHVKZQI-XJKSGUPXSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1CC1(C)C ZINC000486985962 243393313 /nfs/dbraw/zinc/39/33/13/243393313.db2.gz XCVCXHOAKBCTAV-ZBFHGGJFSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@H]1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000486358011 243360848 /nfs/dbraw/zinc/36/08/48/243360848.db2.gz HKLZEMCUPUEUGY-HOTGVXAUSA-N 1 3 294.483 3.188 20 0 CGADHO CCOc1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000035052969 368993857 /nfs/dbraw/zinc/99/38/57/368993857.db2.gz UEAPKNUYPKNAJH-AWEZNQCLSA-N 1 3 276.424 3.220 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649042 369095574 /nfs/dbraw/zinc/09/55/74/369095574.db2.gz UJNXZQAVWSXVMR-RDTXWAMCSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649042 369095577 /nfs/dbraw/zinc/09/55/77/369095577.db2.gz UJNXZQAVWSXVMR-RDTXWAMCSA-N 1 3 270.420 3.138 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649218 369095748 /nfs/dbraw/zinc/09/57/48/369095748.db2.gz UWYVFQNLABPWIN-GJZGRUSLSA-N 1 3 288.435 3.220 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649218 369095749 /nfs/dbraw/zinc/09/57/49/369095749.db2.gz UWYVFQNLABPWIN-GJZGRUSLSA-N 1 3 288.435 3.220 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)C1(C)CC1 ZINC000037901159 369123929 /nfs/dbraw/zinc/12/39/29/369123929.db2.gz LQVUNYIPCMZJEJ-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](NCCC[N@H+](C)C1CCCCC1)C1(C)CC1 ZINC000037901159 369123934 /nfs/dbraw/zinc/12/39/34/369123934.db2.gz LQVUNYIPCMZJEJ-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](NCCC[N@@H+](C)C1CCCCC1)C1(C)CC1 ZINC000037901159 369123936 /nfs/dbraw/zinc/12/39/36/369123936.db2.gz LQVUNYIPCMZJEJ-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)s1 ZINC000041631552 369193548 /nfs/dbraw/zinc/19/35/48/369193548.db2.gz IFLKQLHFUGUIJI-OLZOCXBDSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CC)C2)s1 ZINC000041631552 369193554 /nfs/dbraw/zinc/19/35/54/369193554.db2.gz IFLKQLHFUGUIJI-OLZOCXBDSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CC)C2)s1 ZINC000041631552 369193562 /nfs/dbraw/zinc/19/35/62/369193562.db2.gz IFLKQLHFUGUIJI-OLZOCXBDSA-N 1 3 266.454 3.303 20 0 CGADHO CCCN(Cc1ccc(C)c(C)c1)C1CC[NH2+]CC1 ZINC000049669105 369413824 /nfs/dbraw/zinc/41/38/24/369413824.db2.gz OVQXULRNRKWEFH-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(F)cc2C)CC1 ZINC000050569240 369441526 /nfs/dbraw/zinc/44/15/26/369441526.db2.gz XMVIWIQCZFIKTM-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO CC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000062077750 369617413 /nfs/dbraw/zinc/61/74/13/369617413.db2.gz NOMWPSNRMKKQSB-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(OC)cc1 ZINC000062077750 369617423 /nfs/dbraw/zinc/61/74/23/369617423.db2.gz NOMWPSNRMKKQSB-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000070188891 369787626 /nfs/dbraw/zinc/78/76/26/369787626.db2.gz BBVAUWUOJYNSHJ-UHFFFAOYSA-N 1 3 278.465 3.230 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043195 370089546 /nfs/dbraw/zinc/08/95/46/370089546.db2.gz IGTQYYLVRYTKTJ-PBHICJAKSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043195 370089549 /nfs/dbraw/zinc/08/95/49/370089549.db2.gz IGTQYYLVRYTKTJ-PBHICJAKSA-N 1 3 284.403 3.349 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000093089017 370107974 /nfs/dbraw/zinc/10/79/74/370107974.db2.gz LFHMEIXUWWGGKU-CJNGLKHVSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000093089023 370108862 /nfs/dbraw/zinc/10/88/62/370108862.db2.gz LFHMEIXUWWGGKU-XJKSGUPXSA-N 1 3 276.424 3.177 20 0 CGADHO CCC(CC)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512181385 245023173 /nfs/dbraw/zinc/02/31/73/245023173.db2.gz BKCMBCRVPOGQJD-IYBDPMFKSA-N 1 3 296.499 3.244 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513386 370476089 /nfs/dbraw/zinc/47/60/89/370476089.db2.gz JJVATWHOYMIZDW-ZDUSSCGKSA-N 1 3 286.341 3.089 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513386 370476091 /nfs/dbraw/zinc/47/60/91/370476091.db2.gz JJVATWHOYMIZDW-ZDUSSCGKSA-N 1 3 286.341 3.089 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000131544496 371114940 /nfs/dbraw/zinc/11/49/40/371114940.db2.gz AATZSIBHEJZWPU-GRYCIOLGSA-N 1 3 284.350 3.018 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000132153898 371154967 /nfs/dbraw/zinc/15/49/67/371154967.db2.gz YGIQZWWSICUKOZ-OAHLLOKOSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000132755806 371198928 /nfs/dbraw/zinc/19/89/28/371198928.db2.gz KJJKHZJBQPXQSX-BHIYHBOVSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000132755806 371198937 /nfs/dbraw/zinc/19/89/37/371198937.db2.gz KJJKHZJBQPXQSX-BHIYHBOVSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133639346 371269437 /nfs/dbraw/zinc/26/94/37/371269437.db2.gz OKDNIKYVSFDDCV-LALPHHSUSA-N 1 3 298.377 3.106 20 0 CGADHO C[NH+](C)CCCC1CCN(CCc2ccccc2F)CC1 ZINC000137611431 371499817 /nfs/dbraw/zinc/49/98/17/371499817.db2.gz OLAKWLYKICGCOW-UHFFFAOYSA-N 1 3 292.442 3.422 20 0 CGADHO CC(C)N(Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000220362759 376207567 /nfs/dbraw/zinc/20/75/67/376207567.db2.gz MWSQNFIGBUCFNO-HNNXBMFYSA-N 1 3 264.388 3.036 20 0 CGADHO CSC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000150992489 371555341 /nfs/dbraw/zinc/55/53/41/371555341.db2.gz MPLNJRLAZQASID-KGLIPLIRSA-N 1 3 296.480 3.029 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000220320954 376207932 /nfs/dbraw/zinc/20/79/32/376207932.db2.gz DRWCOBUOLUSGQD-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000421822958 371644285 /nfs/dbraw/zinc/64/42/85/371644285.db2.gz BTQOLDKKWZVHNQ-IRXDYDNUSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000421876756 371692902 /nfs/dbraw/zinc/69/29/02/371692902.db2.gz JYWSLNHSJBHPPK-HUUCEWRRSA-N 1 3 278.440 3.324 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CN ZINC000422564154 371753244 /nfs/dbraw/zinc/75/32/44/371753244.db2.gz VOLDZJSFVUPTPI-KSIDHJATSA-N 1 3 272.436 3.095 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CN ZINC000422564154 371753249 /nfs/dbraw/zinc/75/32/49/371753249.db2.gz VOLDZJSFVUPTPI-KSIDHJATSA-N 1 3 272.436 3.095 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699385 371756927 /nfs/dbraw/zinc/75/69/27/371756927.db2.gz DFNPGSXBMIBHGK-NWDGAFQWSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699385 371756938 /nfs/dbraw/zinc/75/69/38/371756938.db2.gz DFNPGSXBMIBHGK-NWDGAFQWSA-N 1 3 266.816 3.087 20 0 CGADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000422709317 371760955 /nfs/dbraw/zinc/76/09/55/371760955.db2.gz KIKXADDCCHBVEV-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)c(C)c1 ZINC000422709317 371760961 /nfs/dbraw/zinc/76/09/61/371760961.db2.gz KIKXADDCCHBVEV-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(COc2ccccc2)c1 ZINC000422730859 371773032 /nfs/dbraw/zinc/77/30/32/371773032.db2.gz KOPGTXVLIFDIJE-HZPDHXFCSA-N 1 3 298.430 3.481 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1Cl ZINC000422732774 371773200 /nfs/dbraw/zinc/77/32/00/371773200.db2.gz QIWBDZSFUVGSRQ-UONOGXRCSA-N 1 3 284.806 3.226 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCCCCC1 ZINC000422734260 371775557 /nfs/dbraw/zinc/77/55/57/371775557.db2.gz SQGJLYZWZCXJMC-LBPRGKRZSA-N 1 3 261.413 3.222 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCC[C@@H]2N)c1C ZINC000422741541 371778979 /nfs/dbraw/zinc/77/89/79/371778979.db2.gz OTCCGQDZMVVYBC-JKSUJKDBSA-N 1 3 271.408 3.063 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422758563 371790156 /nfs/dbraw/zinc/79/01/56/371790156.db2.gz NXOYUBIJVYRADU-GDBMZVCRSA-N 1 3 278.465 3.147 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)COC(C)C)c1 ZINC000337341256 214017121 /nfs/dbraw/zinc/01/71/21/214017121.db2.gz QHGRTUCRTYQQSW-OAHLLOKOSA-N 1 3 278.440 3.041 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)COC(C)C)c1 ZINC000337341256 214017124 /nfs/dbraw/zinc/01/71/24/214017124.db2.gz QHGRTUCRTYQQSW-OAHLLOKOSA-N 1 3 278.440 3.041 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000422824504 371831372 /nfs/dbraw/zinc/83/13/72/371831372.db2.gz NWPMQRHOAIGJQZ-KBPBESRZSA-N 1 3 266.816 3.087 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422835602 371831940 /nfs/dbraw/zinc/83/19/40/371831940.db2.gz PREWIDYALOZZQX-YOEHRIQHSA-N 1 3 294.414 3.092 20 0 CGADHO Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422785437 371805959 /nfs/dbraw/zinc/80/59/59/371805959.db2.gz JSBFNXOPGIEWDT-FHLIZLRMSA-N 1 3 296.414 3.497 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000422785163 371807016 /nfs/dbraw/zinc/80/70/16/371807016.db2.gz PCFCXYXNWAVQLG-OLZOCXBDSA-N 1 3 275.440 3.468 20 0 CGADHO Cc1cccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422792866 371811502 /nfs/dbraw/zinc/81/15/02/371811502.db2.gz ZSPGYOSHFZCTCV-SJPCQFCGSA-N 1 3 272.436 3.145 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000422804306 371820741 /nfs/dbraw/zinc/82/07/41/371820741.db2.gz HHVARRHTYNPMRE-HOBHPSKFSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422804508 371821190 /nfs/dbraw/zinc/82/11/90/371821190.db2.gz FFDHCSZXXQAUHL-LSDHHAIUSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccccc2)CCCC1 ZINC000422804508 371821195 /nfs/dbraw/zinc/82/11/95/371821195.db2.gz FFDHCSZXXQAUHL-LSDHHAIUSA-N 1 3 260.425 3.214 20 0 CGADHO CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422808902 371822968 /nfs/dbraw/zinc/82/29/68/371822968.db2.gz PECRSTRHFOXRDC-NEPJUHHUSA-N 1 3 281.469 3.031 20 0 CGADHO COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422838723 371835071 /nfs/dbraw/zinc/83/50/71/371835071.db2.gz PBIAHRIDYTUSPH-KWXGJIJISA-N 1 3 294.483 3.092 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000422820167 371829017 /nfs/dbraw/zinc/82/90/17/371829017.db2.gz PFQKLTOGWGUPMF-JHJVBQTASA-N 1 3 278.362 3.087 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@H](C)C2CNC2)CCCCC1 ZINC000422859900 371843054 /nfs/dbraw/zinc/84/30/54/371843054.db2.gz LJAWLGXVQRVFDD-MRXNPFEDSA-N 1 3 286.463 3.394 20 0 CGADHO Cc1ccccc1C1(CN[C@H](C)C2C[NH2+]C2)CCCCC1 ZINC000422859900 371843060 /nfs/dbraw/zinc/84/30/60/371843060.db2.gz LJAWLGXVQRVFDD-MRXNPFEDSA-N 1 3 286.463 3.394 20 0 CGADHO CCCCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422863614 371845028 /nfs/dbraw/zinc/84/50/28/371845028.db2.gz PCVBBNNWDNIBLY-ZIAGYGMSSA-N 1 3 294.439 3.090 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1nc2cc(Cl)ccc2s1 ZINC000422902272 371861790 /nfs/dbraw/zinc/86/17/90/371861790.db2.gz MPOGYTIPSHZINV-VIFPVBQESA-N 1 3 283.828 3.167 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(Sc2ccccc2)CC1 ZINC000422910851 371863773 /nfs/dbraw/zinc/86/37/73/371863773.db2.gz RPUZRSJYXRJUMY-QWHCGFSZSA-N 1 3 264.438 3.027 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000422910550 371864073 /nfs/dbraw/zinc/86/40/73/371864073.db2.gz IKOHOWHWXVBDNY-SJPCQFCGSA-N 1 3 272.436 3.128 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000422912445 371865838 /nfs/dbraw/zinc/86/58/38/371865838.db2.gz WCVQMFMGSYTZEH-KYNGSXCRSA-N 1 3 278.399 3.451 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@H]3CCNCC[C@H]3C)c[nH]c21 ZINC000422914516 371866260 /nfs/dbraw/zinc/86/62/60/371866260.db2.gz UOBWLLAMLXLEEF-KDOFPFPSSA-N 1 3 299.462 3.251 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1cccc(C)c1 ZINC000422922483 371871413 /nfs/dbraw/zinc/87/14/13/371871413.db2.gz SWSLRTCPLTVJOL-JFIYKMOQSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422922483 371871419 /nfs/dbraw/zinc/87/14/19/371871419.db2.gz SWSLRTCPLTVJOL-JFIYKMOQSA-N 1 3 290.451 3.260 20 0 CGADHO C[NH+]1CCC(NCc2ccc3sccc3c2)CC1 ZINC000289997736 371873806 /nfs/dbraw/zinc/87/38/06/371873806.db2.gz XXRMZUHTCBUQFM-UHFFFAOYSA-N 1 3 260.406 3.085 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422929913 371875746 /nfs/dbraw/zinc/87/57/46/371875746.db2.gz RWJKONRVQYNDNZ-IAGOWNOFSA-N 1 3 272.436 3.116 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933464 371878250 /nfs/dbraw/zinc/87/82/50/371878250.db2.gz HTKLFEJSDXVYNH-ZIAGYGMSSA-N 1 3 297.240 3.199 20 0 CGADHO C[C@@H](NCCc1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC000422936693 371879528 /nfs/dbraw/zinc/87/95/28/371879528.db2.gz FQWUDDGKPCTLFQ-PWSUYJOCSA-N 1 3 287.234 3.124 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1cccc2ccccc21 ZINC000422944444 371883582 /nfs/dbraw/zinc/88/35/82/371883582.db2.gz MGQWSEVPEONKBU-SJLPKXTDSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422944444 371883583 /nfs/dbraw/zinc/88/35/83/371883583.db2.gz MGQWSEVPEONKBU-SJLPKXTDSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422841696 371836638 /nfs/dbraw/zinc/83/66/38/371836638.db2.gz WQGLETLJYRWUTG-UAGQMJEPSA-N 1 3 290.476 3.124 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1SCCc2ccccc21 ZINC000422841696 371836646 /nfs/dbraw/zinc/83/66/46/371836646.db2.gz WQGLETLJYRWUTG-UAGQMJEPSA-N 1 3 290.476 3.124 20 0 CGADHO CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423060477 371939321 /nfs/dbraw/zinc/93/93/21/371939321.db2.gz OMUNGDWXDPEAGX-DLBZAZTESA-N 1 3 289.467 3.281 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000422977741 371899813 /nfs/dbraw/zinc/89/98/13/371899813.db2.gz XNOLITJSYKFPLR-JVWICGRDSA-N 1 3 275.440 3.326 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Nc1ccccc1 ZINC000422983398 371901169 /nfs/dbraw/zinc/90/11/69/371901169.db2.gz ZHBCKAIMCUWZQM-NJAFHUGGSA-N 1 3 289.467 3.230 20 0 CGADHO CC(C)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Nc1ccccc1 ZINC000422983398 371901178 /nfs/dbraw/zinc/90/11/78/371901178.db2.gz ZHBCKAIMCUWZQM-NJAFHUGGSA-N 1 3 289.467 3.230 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC1CC[NH2+]CC1 ZINC000422991319 371906820 /nfs/dbraw/zinc/90/68/20/371906820.db2.gz AXMUDZCTBIYCDS-SJLPKXTDSA-N 1 3 288.435 3.027 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000422991319 371906822 /nfs/dbraw/zinc/90/68/22/371906822.db2.gz AXMUDZCTBIYCDS-SJLPKXTDSA-N 1 3 288.435 3.027 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423009843 371914339 /nfs/dbraw/zinc/91/43/39/371914339.db2.gz FCHWNJJEGBQYHT-WBMJQRKESA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423009843 371914343 /nfs/dbraw/zinc/91/43/43/371914343.db2.gz FCHWNJJEGBQYHT-WBMJQRKESA-N 1 3 294.389 3.104 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000423016087 371916168 /nfs/dbraw/zinc/91/61/68/371916168.db2.gz AYLJAECSWONCDJ-CSMYWGQOSA-N 1 3 276.399 3.181 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423016042 371916557 /nfs/dbraw/zinc/91/65/57/371916557.db2.gz SEUMSAJCBMOJMM-CVEARBPZSA-N 1 3 294.389 3.246 20 0 CGADHO FC(F)(F)c1cccc([C@H]([NH2+]C2CCNCC2)C2CC2)c1 ZINC000423017520 371918056 /nfs/dbraw/zinc/91/80/56/371918056.db2.gz PBRSHTCBCRJUEX-OAHLLOKOSA-N 1 3 298.352 3.498 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccccc2Cl)CC1 ZINC000423028997 371925157 /nfs/dbraw/zinc/92/51/57/371925157.db2.gz ULWWXFKBTQSBRG-NWDGAFQWSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028997 371925162 /nfs/dbraw/zinc/92/51/62/371925162.db2.gz ULWWXFKBTQSBRG-NWDGAFQWSA-N 1 3 266.816 3.087 20 0 CGADHO c1ccc([C@H](CC2CCC2)[NH2+]C2CCNCC2)cc1 ZINC000423043257 371929874 /nfs/dbraw/zinc/92/98/74/371929874.db2.gz OANDNUXDSXWEAT-KRWDZBQOSA-N 1 3 258.409 3.260 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423093392 371958188 /nfs/dbraw/zinc/95/81/88/371958188.db2.gz HINBQYPCZPGMJP-DUPGQFARSA-N 1 3 264.388 3.177 20 0 CGADHO Cc1cccc(CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000423099595 371963441 /nfs/dbraw/zinc/96/34/41/371963441.db2.gz FPEONEUTZNGXPF-QZTJIDSGSA-N 1 3 281.403 3.057 20 0 CGADHO Fc1cc(F)cc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423101967 371965705 /nfs/dbraw/zinc/96/57/05/371965705.db2.gz WSDGPTVLBCIIKA-ODZITDFKSA-N 1 3 292.373 3.083 20 0 CGADHO C[C@@H](N[C@@H]1CC(C)(C)CCc2ccccc21)C1C[NH2+]C1 ZINC000423110878 371972972 /nfs/dbraw/zinc/97/29/72/371972972.db2.gz WCFLOJIEQZZWDW-CXAGYDPISA-N 1 3 272.436 3.288 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC(C)(C)CCc2ccccc21)C1CNC1 ZINC000423110878 371972979 /nfs/dbraw/zinc/97/29/79/371972979.db2.gz WCFLOJIEQZZWDW-CXAGYDPISA-N 1 3 272.436 3.288 20 0 CGADHO c1cc2c(cccc2CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[nH]1 ZINC000423116347 371974225 /nfs/dbraw/zinc/97/42/25/371974225.db2.gz PMQNQPUWWKKMSU-UHOSZYNNSA-N 1 3 297.446 3.221 20 0 CGADHO Cc1cc(CCN[C@H]2CCCCC[C@H]2[NH3+])ccc1Cl ZINC000423125623 371979178 /nfs/dbraw/zinc/97/91/78/371979178.db2.gz ANYKXPZCOJEIRA-CVEARBPZSA-N 1 3 280.843 3.441 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N)c(C)c1 ZINC000423125064 371979443 /nfs/dbraw/zinc/97/94/43/371979443.db2.gz HIRLWAHUIOMDND-CABCVRRESA-N 1 3 262.441 3.296 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000423125064 371979447 /nfs/dbraw/zinc/97/94/47/371979447.db2.gz HIRLWAHUIOMDND-CABCVRRESA-N 1 3 262.441 3.296 20 0 CGADHO CC(F)(F)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423131686 371982578 /nfs/dbraw/zinc/98/25/78/371982578.db2.gz IBSGXNNALYPWMG-ZFWWWQNUSA-N 1 3 282.378 3.405 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423132740 371983200 /nfs/dbraw/zinc/98/32/00/371983200.db2.gz CCEPCQCIEFHQOW-QRVBRYPASA-N 1 3 284.447 3.382 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC[C@H](c1ccccc1)C(F)(F)F ZINC000423136299 371984093 /nfs/dbraw/zinc/98/40/93/371984093.db2.gz OZHGWIFMCBJBBW-MGPQQGTHSA-N 1 3 286.341 3.192 20 0 CGADHO C[C@H](CCC[NH3+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000423136815 371985424 /nfs/dbraw/zinc/98/54/24/371985424.db2.gz ZNISSAPXAIPRPQ-MRVPVSSYSA-N 1 3 296.283 3.201 20 0 CGADHO C=Cc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423138641 371987118 /nfs/dbraw/zinc/98/71/18/371987118.db2.gz JNGWCFMZKSCZDN-IRXDYDNUSA-N 1 3 258.409 3.122 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C1CCCC1 ZINC000423154803 371994742 /nfs/dbraw/zinc/99/47/42/371994742.db2.gz JVMLAAUEOAXTHJ-GUYCJALGSA-N 1 3 275.440 3.468 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3CN)CCC2)cc1C ZINC000423085228 371954163 /nfs/dbraw/zinc/95/41/63/371954163.db2.gz JKSLLRMMYZESNE-WMZOPIPTSA-N 1 3 286.463 3.442 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+]C1CCNCC1)C1CC1 ZINC000423191982 372016583 /nfs/dbraw/zinc/01/65/83/372016583.db2.gz UWVDTQCFFQUCAS-MRXNPFEDSA-N 1 3 278.827 3.003 20 0 CGADHO Clc1ccccc1C[C@@H](NC1CC[NH2+]CC1)C1CC1 ZINC000423191982 372016589 /nfs/dbraw/zinc/01/65/89/372016589.db2.gz UWVDTQCFFQUCAS-MRXNPFEDSA-N 1 3 278.827 3.003 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCNC[C@@H]1C ZINC000423405399 372060028 /nfs/dbraw/zinc/06/00/28/372060028.db2.gz TWDCJKADCJSYBI-VRKREXBASA-N 1 3 258.409 3.131 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157382395 372017720 /nfs/dbraw/zinc/01/77/20/372017720.db2.gz ZIDDJGGWISOWQV-GJZGRUSLSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000157382395 372017727 /nfs/dbraw/zinc/01/77/27/372017727.db2.gz ZIDDJGGWISOWQV-GJZGRUSLSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000157382395 372017732 /nfs/dbraw/zinc/01/77/32/372017732.db2.gz ZIDDJGGWISOWQV-GJZGRUSLSA-N 1 3 278.415 3.077 20 0 CGADHO Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000423191516 372017865 /nfs/dbraw/zinc/01/78/65/372017865.db2.gz UKIXGCZURYEVQI-PBHICJAKSA-N 1 3 292.854 3.393 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCNC1)c1ccc(OC(F)F)cc1 ZINC000423193409 372018896 /nfs/dbraw/zinc/01/88/96/372018896.db2.gz QNXXXHLMJBNSPM-JSGCOSHPSA-N 1 3 284.350 3.081 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423196388 372020465 /nfs/dbraw/zinc/02/04/65/372020465.db2.gz VDCKMQIOHZWVKO-UKRRQHHQSA-N 1 3 266.816 3.305 20 0 CGADHO CNCCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423198069 372022999 /nfs/dbraw/zinc/02/29/99/372022999.db2.gz CUSDKZLJBZAFEW-ZFWWWQNUSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423198069 372023002 /nfs/dbraw/zinc/02/30/02/372023002.db2.gz CUSDKZLJBZAFEW-ZFWWWQNUSA-N 1 3 266.816 3.175 20 0 CGADHO Cc1cc([C@H](NC[C@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC000423204759 372028765 /nfs/dbraw/zinc/02/87/65/372028765.db2.gz DSHNGFWSICHGEM-SUMWQHHRSA-N 1 3 276.399 3.174 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[C@H]1CCCNC1 ZINC000423212982 372033965 /nfs/dbraw/zinc/03/39/65/372033965.db2.gz JLDFFCXNNTVTDF-UIBIWLFHSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423222030 372040279 /nfs/dbraw/zinc/04/02/79/372040279.db2.gz ZGLMDAZNAURMFC-YFUQURRKSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423224100 372041821 /nfs/dbraw/zinc/04/18/21/372041821.db2.gz IFKUARUWEOBLQD-RYUDHWBXSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423224100 372041827 /nfs/dbraw/zinc/04/18/27/372041827.db2.gz IFKUARUWEOBLQD-RYUDHWBXSA-N 1 3 288.357 3.353 20 0 CGADHO CCNCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000423246235 372041896 /nfs/dbraw/zinc/04/18/96/372041896.db2.gz NBZQASHODRSTJB-AWEZNQCLSA-N 1 3 252.427 3.179 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423274538 372045734 /nfs/dbraw/zinc/04/57/34/372045734.db2.gz MFDMYQRVFNTXMF-SGMGOOAPSA-N 1 3 264.438 3.187 20 0 CGADHO N[C@@H](C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310728 372049474 /nfs/dbraw/zinc/04/94/74/372049474.db2.gz AWVBQOKNTWRQKS-GJZGRUSLSA-N 1 3 298.352 3.483 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1nc2c(s1)CCCC2 ZINC000423468122 372067402 /nfs/dbraw/zinc/06/74/02/372067402.db2.gz JIXVVPVJXAHPMO-YNEHKIRRSA-N 1 3 293.480 3.190 20 0 CGADHO CSc1ccccc1[C@H](C)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423504717 372070706 /nfs/dbraw/zinc/07/07/06/372070706.db2.gz GIFMFKGJWCFPBZ-DVOMOZLQSA-N 1 3 278.465 3.386 20 0 CGADHO CSc1ccccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423504717 372070710 /nfs/dbraw/zinc/07/07/10/372070710.db2.gz GIFMFKGJWCFPBZ-DVOMOZLQSA-N 1 3 278.465 3.386 20 0 CGADHO CSc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423504717 372070713 /nfs/dbraw/zinc/07/07/13/372070713.db2.gz GIFMFKGJWCFPBZ-DVOMOZLQSA-N 1 3 278.465 3.386 20 0 CGADHO CCSCC[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160073185 372208157 /nfs/dbraw/zinc/20/81/57/372208157.db2.gz KZNVHOYZZAURAJ-KKUMJFAQSA-N 1 3 272.502 3.419 20 0 CGADHO CSc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1F ZINC000344336756 217156200 /nfs/dbraw/zinc/15/62/00/217156200.db2.gz VMPICOJVIBFBIZ-LBPRGKRZSA-N 1 3 294.439 3.460 20 0 CGADHO CSc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1F ZINC000344336756 217156203 /nfs/dbraw/zinc/15/62/03/217156203.db2.gz VMPICOJVIBFBIZ-LBPRGKRZSA-N 1 3 294.439 3.460 20 0 CGADHO Cc1cc(C)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000429014055 372303505 /nfs/dbraw/zinc/30/35/05/372303505.db2.gz XVAQNXNHRUVZOS-SFHVURJKSA-N 1 3 272.436 3.139 20 0 CGADHO Cc1cc(C)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000429014055 372303509 /nfs/dbraw/zinc/30/35/09/372303509.db2.gz XVAQNXNHRUVZOS-SFHVURJKSA-N 1 3 272.436 3.139 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000430598296 372392442 /nfs/dbraw/zinc/39/24/42/372392442.db2.gz CGYUOYNTQBSCSZ-JYJNAYRXSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000162523503 372399875 /nfs/dbraw/zinc/39/98/75/372399875.db2.gz VWXOQPIVSLMSDV-SFHVURJKSA-N 1 3 290.451 3.151 20 0 CGADHO CC[N@H+](CC[C@H]1CCCN1C)[C@@H](C)c1cccc(O)c1 ZINC000161967304 372364684 /nfs/dbraw/zinc/36/46/84/372364684.db2.gz UYTBBSRFNVVALI-GOEBONIOSA-N 1 3 276.424 3.259 20 0 CGADHO CC[N@@H+](CC[C@H]1CCCN1C)[C@@H](C)c1cccc(O)c1 ZINC000161967304 372364687 /nfs/dbraw/zinc/36/46/87/372364687.db2.gz UYTBBSRFNVVALI-GOEBONIOSA-N 1 3 276.424 3.259 20 0 CGADHO COC1(C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)CCC1 ZINC000429435624 372366793 /nfs/dbraw/zinc/36/67/93/372366793.db2.gz UNPZMNRMJRSUHX-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H](C)[C@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000163785405 372491384 /nfs/dbraw/zinc/49/13/84/372491384.db2.gz AVFQOIKLTPNNAZ-MAUKXSAKSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@H](C)[C@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000163785405 372491386 /nfs/dbraw/zinc/49/13/86/372491386.db2.gz AVFQOIKLTPNNAZ-MAUKXSAKSA-N 1 3 296.499 3.170 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000435368600 372753467 /nfs/dbraw/zinc/75/34/67/372753467.db2.gz BPNGWFGUTCFXFR-UHFFFAOYSA-N 1 3 270.376 3.117 20 0 CGADHO C[NH2+]CCCN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000435872194 372820768 /nfs/dbraw/zinc/82/07/68/372820768.db2.gz XDDFPFZEIZNDIV-QGZVFWFLSA-N 1 3 276.424 3.222 20 0 CGADHO C[NH2+]CCCN(Cc1cccc(F)c1)C1CCCC1 ZINC000435869791 372821316 /nfs/dbraw/zinc/82/13/16/372821316.db2.gz LIYJVRFIJRZMFZ-UHFFFAOYSA-N 1 3 264.388 3.180 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000333255468 205158167 /nfs/dbraw/zinc/15/81/67/205158167.db2.gz HUTGFPWCEYMUIO-WCFLWFBJSA-N 1 3 275.421 3.217 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2ccccc2OCC2CC2)C1 ZINC000442932988 373131079 /nfs/dbraw/zinc/13/10/79/373131079.db2.gz ZEUXTTUADQGBDB-OAHLLOKOSA-N 1 3 288.435 3.036 20 0 CGADHO C[C@@H]1CCN(CCC[NH+]2CCCCC2)CC1(C)C ZINC000444646246 373219089 /nfs/dbraw/zinc/21/90/89/373219089.db2.gz RQBVCHDVOTZYJG-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO FC1(F)CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298034498 373289957 /nfs/dbraw/zinc/28/99/57/373289957.db2.gz GKISJZIRBCGSMZ-CYBMUJFWSA-N 1 3 295.377 3.075 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298441004 373330631 /nfs/dbraw/zinc/33/06/31/373330631.db2.gz NLGLZWXTMBXFJW-ZLPCBKJTSA-N 1 3 272.436 3.038 20 0 CGADHO C[C@H](CC[N@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000300279517 373624298 /nfs/dbraw/zinc/62/42/98/373624298.db2.gz KFKBICDWYAVUGA-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO C[C@H](CC[N@@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000300279517 373624301 /nfs/dbraw/zinc/62/43/01/373624301.db2.gz KFKBICDWYAVUGA-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO C[C@H](CCN(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000300279517 373624304 /nfs/dbraw/zinc/62/43/04/373624304.db2.gz KFKBICDWYAVUGA-WBVHZDCISA-N 1 3 260.425 3.254 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029633 373738580 /nfs/dbraw/zinc/73/85/80/373738580.db2.gz VNUNHPVGLPBCEL-PBHICJAKSA-N 1 3 272.436 3.340 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029633 373738585 /nfs/dbraw/zinc/73/85/85/373738585.db2.gz VNUNHPVGLPBCEL-PBHICJAKSA-N 1 3 272.436 3.340 20 0 CGADHO COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C ZINC000289547640 197398242 /nfs/dbraw/zinc/39/82/42/197398242.db2.gz IIIGIYDISUCYEK-SJPCQFCGSA-N 1 3 288.435 3.061 20 0 CGADHO COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1C ZINC000289547640 197398244 /nfs/dbraw/zinc/39/82/44/197398244.db2.gz IIIGIYDISUCYEK-SJPCQFCGSA-N 1 3 288.435 3.061 20 0 CGADHO CC[N@@H+]1CCCN(c2cc(C)nc3ccccc32)CC1 ZINC000301560764 373785480 /nfs/dbraw/zinc/78/54/80/373785480.db2.gz XXJCOYLZWRQNRN-UHFFFAOYSA-N 1 3 269.392 3.075 20 0 CGADHO CC[N@H+]1CCCN(c2cc(C)nc3ccccc32)CC1 ZINC000301560764 373785486 /nfs/dbraw/zinc/78/54/86/373785486.db2.gz XXJCOYLZWRQNRN-UHFFFAOYSA-N 1 3 269.392 3.075 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000179448968 373874686 /nfs/dbraw/zinc/87/46/86/373874686.db2.gz SQMYGQXIPSQDMI-IUODEOHRSA-N 1 3 266.816 3.475 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)CN(C)C ZINC000310912819 374227094 /nfs/dbraw/zinc/22/70/94/374227094.db2.gz YLVHQTZCKMZLQU-ABAIWWIYSA-N 1 3 266.816 3.115 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076519518 541912383 /nfs/dbraw/zinc/91/23/83/541912383.db2.gz IYVPXSRWPYDOQP-OAHLLOKOSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076519518 541912389 /nfs/dbraw/zinc/91/23/89/541912389.db2.gz IYVPXSRWPYDOQP-OAHLLOKOSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076519518 541912394 /nfs/dbraw/zinc/91/23/94/541912394.db2.gz IYVPXSRWPYDOQP-OAHLLOKOSA-N 1 3 280.843 3.202 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000182236595 374242901 /nfs/dbraw/zinc/24/29/01/374242901.db2.gz KPLYWVWLIFHYPB-QGZVFWFLSA-N 1 3 276.399 3.279 20 0 CGADHO CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)cn1 ZINC000453357091 374445792 /nfs/dbraw/zinc/44/57/92/374445792.db2.gz PMTHXDDSAFJNHJ-UCMJJCQDSA-N 1 3 291.414 3.133 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000093455792 541981504 /nfs/dbraw/zinc/98/15/04/541981504.db2.gz CHVKOULJNHSKRZ-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000093455792 541981507 /nfs/dbraw/zinc/98/15/07/541981507.db2.gz CHVKOULJNHSKRZ-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000464782011 374899292 /nfs/dbraw/zinc/89/92/92/374899292.db2.gz UWVGIHYYNYMUEP-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000464782011 374899297 /nfs/dbraw/zinc/89/92/97/374899297.db2.gz UWVGIHYYNYMUEP-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CCC(C)(C)CC)C1 ZINC000464782011 374899304 /nfs/dbraw/zinc/89/93/04/374899304.db2.gz UWVGIHYYNYMUEP-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187166587 374982066 /nfs/dbraw/zinc/98/20/66/374982066.db2.gz OQFDEPQEOYNRNF-LSDHHAIUSA-N 1 3 284.513 3.228 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC1CCCCC1 ZINC000483247610 375177916 /nfs/dbraw/zinc/17/79/16/375177916.db2.gz NWHJITPXGCHACU-KZNAEPCWSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc(F)c2ccccc21 ZINC000335222560 375241823 /nfs/dbraw/zinc/24/18/23/375241823.db2.gz JBMLSKPDRXNNGD-GFCCVEGCSA-N 1 3 272.367 3.382 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000487546404 375249717 /nfs/dbraw/zinc/24/97/17/375249717.db2.gz ZEKJCLFCDFSOJX-RHSMWYFYSA-N 1 3 287.451 3.322 20 0 CGADHO CN(C)CCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000188984898 375305098 /nfs/dbraw/zinc/30/50/98/375305098.db2.gz IREVVQULRIURBP-UHFFFAOYSA-N 1 3 294.748 3.400 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)CS1 ZINC000488412634 375308573 /nfs/dbraw/zinc/30/85/73/375308573.db2.gz XTEYQOPQGFUTNM-PMPSAXMXSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC[C@@H](C)C[NH+]2CCCCC2)CS1 ZINC000488412634 375308585 /nfs/dbraw/zinc/30/85/85/375308585.db2.gz XTEYQOPQGFUTNM-PMPSAXMXSA-N 1 3 284.513 3.228 20 0 CGADHO Cc1cc2[nH]c(C[NH2+]C[C@@H](C)CN(C)C)cc2c(C)c1 ZINC000491597101 375336504 /nfs/dbraw/zinc/33/65/04/375336504.db2.gz RDXMSKYKURTAAA-CYBMUJFWSA-N 1 3 273.424 3.072 20 0 CGADHO CSc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192727605 375783251 /nfs/dbraw/zinc/78/32/51/375783251.db2.gz ZDDCVZLRUBCSMS-GOOCMWNKSA-N 1 3 276.449 3.123 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000336658535 375897347 /nfs/dbraw/zinc/89/73/47/375897347.db2.gz IWRJWPJUOYERAL-IUCAKERBSA-N 1 3 261.196 3.239 20 0 CGADHO CC1CC[NH+](C[C@@H]2CCCN(CCC3CC3)C2)CC1 ZINC000336806364 375958191 /nfs/dbraw/zinc/95/81/91/375958191.db2.gz VUVRZDADJGLMLQ-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000336806364 375958197 /nfs/dbraw/zinc/95/81/97/375958197.db2.gz VUVRZDADJGLMLQ-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000336806364 375958204 /nfs/dbraw/zinc/95/82/04/375958204.db2.gz VUVRZDADJGLMLQ-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000215971564 376155099 /nfs/dbraw/zinc/15/50/99/376155099.db2.gz YJPLPKFIIHOMHZ-KBPBESRZSA-N 1 3 284.403 3.018 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618593 376182487 /nfs/dbraw/zinc/18/24/87/376182487.db2.gz FGLBEXVFHJFSHC-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618593 376182492 /nfs/dbraw/zinc/18/24/92/376182492.db2.gz FGLBEXVFHJFSHC-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337510202 376225240 /nfs/dbraw/zinc/22/52/40/376225240.db2.gz INWFFZHPWGRVSJ-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](CN(C)CC3CC3)C2)C1 ZINC000538953586 376280209 /nfs/dbraw/zinc/28/02/09/376280209.db2.gz IFTWNCHCPNVTSJ-BPQIPLTHSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](CN(C)CC3CC3)C2)C1 ZINC000538953586 376280217 /nfs/dbraw/zinc/28/02/17/376280217.db2.gz IFTWNCHCPNVTSJ-BPQIPLTHSA-N 1 3 278.484 3.476 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN(C)C(C)C)C12CCCC2 ZINC000224589736 376284355 /nfs/dbraw/zinc/28/43/55/376284355.db2.gz GBJUJFGQNBHVAN-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@H+](C)C(C)C)C12CCCC2 ZINC000224589736 376284362 /nfs/dbraw/zinc/28/43/62/376284362.db2.gz GBJUJFGQNBHVAN-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589736 376284367 /nfs/dbraw/zinc/28/43/67/376284367.db2.gz GBJUJFGQNBHVAN-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000224995781 376291898 /nfs/dbraw/zinc/29/18/98/376291898.db2.gz MZSKRTNPBCLFFI-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000540180941 376363116 /nfs/dbraw/zinc/36/31/16/376363116.db2.gz KBSBIDGMXFRIBX-GDBMZVCRSA-N 1 3 290.451 3.324 20 0 CGADHO Cc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000227380710 376394141 /nfs/dbraw/zinc/39/41/41/376394141.db2.gz XLHCFWZRPDSLMP-LSDHHAIUSA-N 1 3 283.419 3.102 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)CN1CCCC1 ZINC000227552081 376399681 /nfs/dbraw/zinc/39/96/81/376399681.db2.gz JJZUSZAQKBTNGH-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000541602936 376466040 /nfs/dbraw/zinc/46/60/40/376466040.db2.gz DJNYPEKVENBGPZ-RWMBFGLXSA-N 1 3 292.389 3.427 20 0 CGADHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(F)(F)F ZINC000541602936 376466049 /nfs/dbraw/zinc/46/60/49/376466049.db2.gz DJNYPEKVENBGPZ-RWMBFGLXSA-N 1 3 292.389 3.427 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000541602936 376466055 /nfs/dbraw/zinc/46/60/55/376466055.db2.gz DJNYPEKVENBGPZ-RWMBFGLXSA-N 1 3 292.389 3.427 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000541986401 376498827 /nfs/dbraw/zinc/49/88/27/376498827.db2.gz PBLOILRTKTZOSC-IRXDYDNUSA-N 1 3 286.463 3.065 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000541986401 376498834 /nfs/dbraw/zinc/49/88/34/376498834.db2.gz PBLOILRTKTZOSC-IRXDYDNUSA-N 1 3 286.463 3.065 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000543091498 376605228 /nfs/dbraw/zinc/60/52/28/376605228.db2.gz LXOZJDRPCQBSBB-WBVHZDCISA-N 1 3 292.492 3.487 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000543091498 376605238 /nfs/dbraw/zinc/60/52/38/376605238.db2.gz LXOZJDRPCQBSBB-WBVHZDCISA-N 1 3 292.492 3.487 20 0 CGADHO Oc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000236587685 376666941 /nfs/dbraw/zinc/66/69/41/376666941.db2.gz KPEFKFJXHSQQOG-GOSISDBHSA-N 1 3 288.435 3.235 20 0 CGADHO Cc1cccc([C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151302489 542101217 /nfs/dbraw/zinc/10/12/17/542101217.db2.gz IYHUZSCRYANOCT-MRXNPFEDSA-N 1 3 281.403 3.273 20 0 CGADHO Cc1ccccc1[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000151880376 542104228 /nfs/dbraw/zinc/10/42/28/542104228.db2.gz QOJJFYGTCIFOIF-MRXNPFEDSA-N 1 3 281.403 3.273 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000245556120 376853854 /nfs/dbraw/zinc/85/38/54/376853854.db2.gz UEMUIDJGZGYYAS-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO Cc1cccc(CCC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000245556120 376853858 /nfs/dbraw/zinc/85/38/58/376853858.db2.gz UEMUIDJGZGYYAS-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)o1 ZINC000245786064 376907141 /nfs/dbraw/zinc/90/71/41/376907141.db2.gz VFLHHPMNNVMBJQ-CJNGLKHVSA-N 1 3 264.413 3.004 20 0 CGADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)o1 ZINC000245786064 376907149 /nfs/dbraw/zinc/90/71/49/376907149.db2.gz VFLHHPMNNVMBJQ-CJNGLKHVSA-N 1 3 264.413 3.004 20 0 CGADHO CCC[C@H](C)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245856606 376920352 /nfs/dbraw/zinc/92/03/52/376920352.db2.gz NRBXZJOOYZBHCH-ZOBUZTSGSA-N 1 3 264.457 3.371 20 0 CGADHO CCC[C@H](C)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245856606 376920356 /nfs/dbraw/zinc/92/03/56/376920356.db2.gz NRBXZJOOYZBHCH-ZOBUZTSGSA-N 1 3 264.457 3.371 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857633 376920865 /nfs/dbraw/zinc/92/08/65/376920865.db2.gz NVSGPPWYHJEQSM-HOTGVXAUSA-N 1 3 290.451 3.072 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857633 376920870 /nfs/dbraw/zinc/92/08/70/376920870.db2.gz NVSGPPWYHJEQSM-HOTGVXAUSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857633 376920873 /nfs/dbraw/zinc/92/08/73/376920873.db2.gz NVSGPPWYHJEQSM-HOTGVXAUSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857633 376920876 /nfs/dbraw/zinc/92/08/76/376920876.db2.gz NVSGPPWYHJEQSM-HOTGVXAUSA-N 1 3 290.451 3.072 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCCN(C2CCC2)C1 ZINC000558695654 377033212 /nfs/dbraw/zinc/03/32/12/377033212.db2.gz MULQKCVOURPMFD-OLEVXBPZSA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@H]1CC[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000558226699 376986465 /nfs/dbraw/zinc/98/64/65/376986465.db2.gz QXAKSVSGPIYWEW-HOCLYGCPSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]1CC[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000558226699 376986470 /nfs/dbraw/zinc/98/64/70/376986470.db2.gz QXAKSVSGPIYWEW-HOCLYGCPSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]1CC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000558226699 376986474 /nfs/dbraw/zinc/98/64/74/376986474.db2.gz QXAKSVSGPIYWEW-HOCLYGCPSA-N 1 3 252.446 3.419 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000340458871 284609324 /nfs/dbraw/zinc/60/93/24/284609324.db2.gz BLTOAYJKSBICOK-GXTWGEPZSA-N 1 3 267.417 3.144 20 0 CGADHO CCc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC000558420100 377008174 /nfs/dbraw/zinc/00/81/74/377008174.db2.gz JFZBELOFKJNTLL-PBWFPOADSA-N 1 3 278.465 3.368 20 0 CGADHO CCc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC000558420100 377008181 /nfs/dbraw/zinc/00/81/81/377008181.db2.gz JFZBELOFKJNTLL-PBWFPOADSA-N 1 3 278.465 3.368 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000246883253 377111864 /nfs/dbraw/zinc/11/18/64/377111864.db2.gz FCAIMNZAQGAHFD-DOMZBBRYSA-N 1 3 294.439 3.294 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000246900723 377115428 /nfs/dbraw/zinc/11/54/28/377115428.db2.gz LKAMFEHDMJCDOT-QBPKDAKJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000340464309 377074985 /nfs/dbraw/zinc/07/49/85/377074985.db2.gz SOUPDAZOXYKRRZ-IJEWVQPXSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000340464309 377074990 /nfs/dbraw/zinc/07/49/90/377074990.db2.gz SOUPDAZOXYKRRZ-IJEWVQPXSA-N 1 3 270.436 3.367 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247018388 377138676 /nfs/dbraw/zinc/13/86/76/377138676.db2.gz LREBMKPSJJHVJK-ZFWWWQNUSA-N 1 3 276.424 3.225 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000560525555 377163192 /nfs/dbraw/zinc/16/31/92/377163192.db2.gz QGYMTZBUKXGZIB-KURKYZTESA-N 1 3 272.436 3.211 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000560525555 377163196 /nfs/dbraw/zinc/16/31/96/377163196.db2.gz QGYMTZBUKXGZIB-KURKYZTESA-N 1 3 272.436 3.211 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC000247253911 377186742 /nfs/dbraw/zinc/18/67/42/377186742.db2.gz XIKSOJAJOUITGD-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c(C)c1 ZINC000247253911 377186754 /nfs/dbraw/zinc/18/67/54/377186754.db2.gz XIKSOJAJOUITGD-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000247253911 377186765 /nfs/dbraw/zinc/18/67/65/377186765.db2.gz XIKSOJAJOUITGD-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000247253911 377186774 /nfs/dbraw/zinc/18/67/74/377186774.db2.gz XIKSOJAJOUITGD-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000562019661 377265843 /nfs/dbraw/zinc/26/58/43/377265843.db2.gz NVWZIDSMIWOJMT-QKPAOTATSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000562519530 377321861 /nfs/dbraw/zinc/32/18/61/377321861.db2.gz WAKDYSOZVPJJIP-ZSHCYNCHSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000562519530 377321870 /nfs/dbraw/zinc/32/18/70/377321870.db2.gz WAKDYSOZVPJJIP-ZSHCYNCHSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)C[C@H](C)O1 ZINC000562519530 377321875 /nfs/dbraw/zinc/32/18/75/377321875.db2.gz WAKDYSOZVPJJIP-ZSHCYNCHSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000248179052 377277968 /nfs/dbraw/zinc/27/79/68/377277968.db2.gz WBUPKVAAZFBCIZ-NJAFHUGGSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000248179052 377277973 /nfs/dbraw/zinc/27/79/73/377277973.db2.gz WBUPKVAAZFBCIZ-NJAFHUGGSA-N 1 3 272.436 3.206 20 0 CGADHO CC[C@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000248373465 377298559 /nfs/dbraw/zinc/29/85/59/377298559.db2.gz JDJGZGYEJXBGTH-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@H](C)[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000248373465 377298565 /nfs/dbraw/zinc/29/85/65/377298565.db2.gz JDJGZGYEJXBGTH-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@H](C)[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000248373465 377298575 /nfs/dbraw/zinc/29/85/75/377298575.db2.gz JDJGZGYEJXBGTH-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccccc2SC)C1 ZINC000249656596 377520821 /nfs/dbraw/zinc/52/08/21/377520821.db2.gz ZQSNQOGHTXERFL-KGLIPLIRSA-N 1 3 278.465 3.401 20 0 CGADHO FC(F)(F)c1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000315280778 249098266 /nfs/dbraw/zinc/09/82/66/249098266.db2.gz VTNOVBQVGUNVTG-BETUJISGSA-N 1 3 298.352 3.137 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905409 249126859 /nfs/dbraw/zinc/12/68/59/249126859.db2.gz IIMIEDKDSHIJCT-GOEBONIOSA-N 1 3 290.476 3.418 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905409 249126862 /nfs/dbraw/zinc/12/68/62/249126862.db2.gz IIMIEDKDSHIJCT-GOEBONIOSA-N 1 3 290.476 3.418 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000469860619 249160487 /nfs/dbraw/zinc/16/04/87/249160487.db2.gz GGJQFHJHZWXEPC-GOEBONIOSA-N 1 3 276.424 3.035 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C12CCCC2 ZINC000250506410 377559800 /nfs/dbraw/zinc/55/98/00/377559800.db2.gz MQBXJOMUPJFMGI-BRWVUGGUSA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CCCC2)C12CCCC2 ZINC000250479360 377559883 /nfs/dbraw/zinc/55/98/83/377559883.db2.gz FLVMAWXIQGNVQO-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](CN1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020531 249165988 /nfs/dbraw/zinc/16/59/88/249165988.db2.gz JDTNUZQAVKUYPG-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000514779228 249188616 /nfs/dbraw/zinc/18/86/16/249188616.db2.gz KGRFVOVONBCINM-NJAFHUGGSA-N 1 3 272.436 3.110 20 0 CGADHO C(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000250855000 377567722 /nfs/dbraw/zinc/56/77/22/377567722.db2.gz PCBTXIGUWCSRNI-KZNAEPCWSA-N 1 3 294.483 3.236 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000515845489 249222415 /nfs/dbraw/zinc/22/24/15/249222415.db2.gz HWEGMCZAWASBAS-TUAOUCFPSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000515845489 249222418 /nfs/dbraw/zinc/22/24/18/249222418.db2.gz HWEGMCZAWASBAS-TUAOUCFPSA-N 1 3 288.357 3.352 20 0 CGADHO COc1ccc(CNCCCCC[NH+]2CCCC2)c(F)c1 ZINC000518198028 249277080 /nfs/dbraw/zinc/27/70/80/249277080.db2.gz RZSZHSJXFWLBKP-UHFFFAOYSA-N 1 3 294.414 3.190 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000251908256 377605192 /nfs/dbraw/zinc/60/51/92/377605192.db2.gz XMHSDPVOOXRGDC-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@@H]1C ZINC000251914242 377605464 /nfs/dbraw/zinc/60/54/64/377605464.db2.gz UFGIIYXFMPRHRZ-CWVYHPPDSA-N 1 3 250.430 3.028 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCS2)c2ccccc21 ZINC000252779787 377665636 /nfs/dbraw/zinc/66/56/36/377665636.db2.gz LZEAQWIHYRQESP-KCPJHIHWSA-N 1 3 262.422 3.007 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000258996922 377802122 /nfs/dbraw/zinc/80/21/22/377802122.db2.gz MVZDNJSCAPWNTH-ZIAGYGMSSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000261941767 377871746 /nfs/dbraw/zinc/87/17/46/377871746.db2.gz DTEVYZFTAWYMLH-NJAFHUGGSA-N 1 3 272.436 3.112 20 0 CGADHO CC[C@@H](c1ccccc1)N(CC)C[C@]1(C)CC[NH2+]C1 ZINC000261995787 377876033 /nfs/dbraw/zinc/87/60/33/377876033.db2.gz KSMSPKLZROGWMM-DLBZAZTESA-N 1 3 260.425 3.459 20 0 CGADHO C[C@]1(CN2CCC(Cc3ccccc3F)CC2)CC[NH2+]C1 ZINC000262068725 377884013 /nfs/dbraw/zinc/88/40/13/377884013.db2.gz RVVBJWIEKWTGMZ-SFHVURJKSA-N 1 3 290.426 3.080 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000262370615 377895455 /nfs/dbraw/zinc/89/54/55/377895455.db2.gz XMFHZMZVORRBQV-UHFFFAOYSA-N 1 3 299.418 3.163 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12 ZINC000261723539 377844847 /nfs/dbraw/zinc/84/48/47/377844847.db2.gz KLXHXMMAWVCJQT-RCCFBDPRSA-N 1 3 266.388 3.009 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261714602 377845110 /nfs/dbraw/zinc/84/51/10/377845110.db2.gz FAWGBOBDWASKNQ-IAGOWNOFSA-N 1 3 258.409 3.132 20 0 CGADHO CC[N@H+](C[C@@H]1CCC[C@@H](C)C1)[C@H]1CCCNCC1 ZINC000261745867 377850041 /nfs/dbraw/zinc/85/00/41/377850041.db2.gz BURGSDLBKAUOIA-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@H]1CCCNCC1 ZINC000261745867 377850045 /nfs/dbraw/zinc/85/00/45/377850045.db2.gz BURGSDLBKAUOIA-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261805650 377854665 /nfs/dbraw/zinc/85/46/65/377854665.db2.gz OKVJGCFDLTYECU-KRWDZBQOSA-N 1 3 272.392 3.166 20 0 CGADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261805650 377854673 /nfs/dbraw/zinc/85/46/73/377854673.db2.gz OKVJGCFDLTYECU-KRWDZBQOSA-N 1 3 272.392 3.166 20 0 CGADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@@](C)(CN)C1 ZINC000261805650 377854678 /nfs/dbraw/zinc/85/46/78/377854678.db2.gz OKVJGCFDLTYECU-KRWDZBQOSA-N 1 3 272.392 3.166 20 0 CGADHO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC000262575042 377902202 /nfs/dbraw/zinc/90/22/02/377902202.db2.gz XZTMBVQWDNDDOX-QGTPRVQTSA-N 1 3 296.414 3.018 20 0 CGADHO Cc1ccoc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000343586471 378029207 /nfs/dbraw/zinc/02/92/07/378029207.db2.gz DULSFFJXBCJOOD-HUUCEWRRSA-N 1 3 278.440 3.436 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCNC1)CC(C)(C)C ZINC000579945175 378209888 /nfs/dbraw/zinc/20/98/88/378209888.db2.gz WFAQHRHEZQBMEQ-ILXRZTDVSA-N 1 3 254.462 3.427 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)c1cccc(Cl)c1 ZINC000580725147 378252462 /nfs/dbraw/zinc/25/24/62/378252462.db2.gz OOCCJOBQLBYPSI-LSDHHAIUSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000580725147 378252469 /nfs/dbraw/zinc/25/24/69/378252469.db2.gz OOCCJOBQLBYPSI-LSDHHAIUSA-N 1 3 280.843 3.477 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273747 378318190 /nfs/dbraw/zinc/31/81/90/378318190.db2.gz ZRKJZDJQZDVHIM-UONOGXRCSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273747 378318198 /nfs/dbraw/zinc/31/81/98/378318198.db2.gz ZRKJZDJQZDVHIM-UONOGXRCSA-N 1 3 287.234 3.395 20 0 CGADHO CCOC1(CNC2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC000583792589 378346996 /nfs/dbraw/zinc/34/69/96/378346996.db2.gz DPTOTNGYINDPMU-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181940 378474550 /nfs/dbraw/zinc/47/45/50/378474550.db2.gz JYPXWINZXPKQQX-HNNXBMFYSA-N 1 3 285.435 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271181940 378474554 /nfs/dbraw/zinc/47/45/54/378474554.db2.gz JYPXWINZXPKQQX-HNNXBMFYSA-N 1 3 285.435 3.332 20 0 CGADHO COC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000346530043 378606509 /nfs/dbraw/zinc/60/65/09/378606509.db2.gz QMWUBDIWTWVQDN-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cc2cc(CN3CC[C@H]([C@H](C)[NH3+])C3)oc2cc1C ZINC000346652550 378663087 /nfs/dbraw/zinc/66/30/87/378663087.db2.gz HKUOYGAXRMMAJB-KBPBESRZSA-N 1 3 272.392 3.219 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346677827 378673377 /nfs/dbraw/zinc/67/33/77/378673377.db2.gz LREPEBPZDHRRLS-QWHCGFSZSA-N 1 3 272.392 3.164 20 0 CGADHO c1ccc(SC[C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346975586 378701492 /nfs/dbraw/zinc/70/14/92/378701492.db2.gz JLXZTLCDIAKUBQ-CVEARBPZSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346975586 378701501 /nfs/dbraw/zinc/70/15/01/378701501.db2.gz JLXZTLCDIAKUBQ-CVEARBPZSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975586 378701509 /nfs/dbraw/zinc/70/15/09/378701509.db2.gz JLXZTLCDIAKUBQ-CVEARBPZSA-N 1 3 290.476 3.100 20 0 CGADHO CO[C@@](C)(C[NH2+]C1CCN(CC2CCCC2)CC1)C1CC1 ZINC000638453756 378808689 /nfs/dbraw/zinc/80/86/89/378808689.db2.gz HTCBHEHONLXSPF-SFHVURJKSA-N 1 3 294.483 3.046 20 0 CGADHO CO[C@@](C)(CNC1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000638453756 378808693 /nfs/dbraw/zinc/80/86/93/378808693.db2.gz HTCBHEHONLXSPF-SFHVURJKSA-N 1 3 294.483 3.046 20 0 CGADHO CC1=C(C)C[C@H]([C@@H](C)[NH2+]CC2=CCN(C)CC2)CC1 ZINC000638839038 378931218 /nfs/dbraw/zinc/93/12/18/378931218.db2.gz VJSBUZRZAYFXNV-NVXWUHKLSA-N 1 3 262.441 3.363 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000347111864 218126110 /nfs/dbraw/zinc/12/61/10/218126110.db2.gz QCQYUCVOKBMFPV-GFCCVEGCSA-N 1 3 290.407 3.335 20 0 CGADHO Cc1ccc(CC[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000639081149 379006118 /nfs/dbraw/zinc/00/61/18/379006118.db2.gz DPQMHOZNIWBVEY-UHFFFAOYSA-N 1 3 272.436 3.098 20 0 CGADHO Cc1ccc(CC[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000639081149 379006122 /nfs/dbraw/zinc/00/61/22/379006122.db2.gz DPQMHOZNIWBVEY-UHFFFAOYSA-N 1 3 272.436 3.098 20 0 CGADHO COc1cc(C)c([C@H](C)N(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000639081901 379006653 /nfs/dbraw/zinc/00/66/53/379006653.db2.gz WCPCZGKDMPXYAF-HOTGVXAUSA-N 1 3 290.451 3.257 20 0 CGADHO COc1cc(C)c([C@H](C)N(C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000639081901 379006658 /nfs/dbraw/zinc/00/66/58/379006658.db2.gz WCPCZGKDMPXYAF-HOTGVXAUSA-N 1 3 290.451 3.257 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCCc2ccccc2)CC1 ZINC000277096854 379067582 /nfs/dbraw/zinc/06/75/82/379067582.db2.gz GGRVJNZIMFSGTN-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC000277096854 379067587 /nfs/dbraw/zinc/06/75/87/379067587.db2.gz GGRVJNZIMFSGTN-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCCCc2ccccc2)CC1 ZINC000277096854 379067595 /nfs/dbraw/zinc/06/75/95/379067595.db2.gz GGRVJNZIMFSGTN-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CCSC1 ZINC000289467645 197362821 /nfs/dbraw/zinc/36/28/21/197362821.db2.gz PCEXEGDJWRNRKQ-QGZVFWFLSA-N 1 3 292.492 3.323 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CCSC1 ZINC000289467645 197362823 /nfs/dbraw/zinc/36/28/23/197362823.db2.gz PCEXEGDJWRNRKQ-QGZVFWFLSA-N 1 3 292.492 3.323 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1C ZINC000349015714 379134632 /nfs/dbraw/zinc/13/46/32/379134632.db2.gz YZPINVAIXCFYPV-UHFFFAOYSA-N 1 3 297.446 3.474 20 0 CGADHO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277601304 379197575 /nfs/dbraw/zinc/19/75/75/379197575.db2.gz VRCMSCTXNXLBKO-WBVHZDCISA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@H](C)C[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277601304 379197581 /nfs/dbraw/zinc/19/75/81/379197581.db2.gz VRCMSCTXNXLBKO-WBVHZDCISA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@H](C)CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277601304 379197585 /nfs/dbraw/zinc/19/75/85/379197585.db2.gz VRCMSCTXNXLBKO-WBVHZDCISA-N 1 3 290.451 3.215 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000639375965 379332845 /nfs/dbraw/zinc/33/28/45/379332845.db2.gz MZRGSVFKJXHRIL-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000639390467 379354612 /nfs/dbraw/zinc/35/46/12/379354612.db2.gz YURPIJCJGKEVJB-CQSZACIVSA-N 1 3 273.424 3.219 20 0 CGADHO CN1CCC2(CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000374327514 379420792 /nfs/dbraw/zinc/42/07/92/379420792.db2.gz WLEZCLOUOZPTSI-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CN1CCC2(CCC[N@H+]2CC2CCCCC2)CC1 ZINC000374327514 379420806 /nfs/dbraw/zinc/42/08/06/379420806.db2.gz WLEZCLOUOZPTSI-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO c1cc(N2CCC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)ccn1 ZINC000639684566 379544917 /nfs/dbraw/zinc/54/49/17/379544917.db2.gz WPETYMLNFIFDEQ-IXDOHACOSA-N 1 3 285.435 3.030 20 0 CGADHO c1cc(N2CCC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)ccn1 ZINC000639684566 379544919 /nfs/dbraw/zinc/54/49/19/379544919.db2.gz WPETYMLNFIFDEQ-IXDOHACOSA-N 1 3 285.435 3.030 20 0 CGADHO c1cncc([C@@H]([NH2+]CCCN2CCCCC2)C2CCC2)c1 ZINC000280316012 379674338 /nfs/dbraw/zinc/67/43/38/379674338.db2.gz OWTWRRCVGGSHAG-SFHVURJKSA-N 1 3 287.451 3.388 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000379291517 379859159 /nfs/dbraw/zinc/85/91/59/379859159.db2.gz VMZOFQDZMHRMCN-ARFHVFGLSA-N 1 3 278.465 3.457 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000382124906 379871645 /nfs/dbraw/zinc/87/16/45/379871645.db2.gz NLAWLBFAVFFNIE-OCCSQVGLSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124906 379871650 /nfs/dbraw/zinc/87/16/50/379871650.db2.gz NLAWLBFAVFFNIE-OCCSQVGLSA-N 1 3 252.427 3.131 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352751421 379940236 /nfs/dbraw/zinc/94/02/36/379940236.db2.gz VJRXBTVXUUONSV-JKSUJKDBSA-N 1 3 272.392 3.395 20 0 CGADHO CC(C)[NH+](CCCNC1CC(OC(C)(C)C)C1)C(C)C ZINC000352782556 379955843 /nfs/dbraw/zinc/95/58/43/379955843.db2.gz HVOHFSGANJKCMP-UHFFFAOYSA-N 1 3 284.488 3.431 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CCCCC2CCOCC2)C1 ZINC000410394788 380093906 /nfs/dbraw/zinc/09/39/06/380093906.db2.gz FRBMTJTWKJXQHO-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCCC2CCOCC2)C1 ZINC000410394788 380093909 /nfs/dbraw/zinc/09/39/09/380093909.db2.gz FRBMTJTWKJXQHO-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000410394788 380093913 /nfs/dbraw/zinc/09/39/13/380093913.db2.gz FRBMTJTWKJXQHO-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410394788 380093915 /nfs/dbraw/zinc/09/39/15/380093915.db2.gz FRBMTJTWKJXQHO-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC000643038531 380206917 /nfs/dbraw/zinc/20/69/17/380206917.db2.gz XPTJXRNSKDDHKE-SFHVURJKSA-N 1 3 281.403 3.123 20 0 CGADHO c1ccc([C@H](CC2CC2)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000643500327 380320191 /nfs/dbraw/zinc/32/01/91/380320191.db2.gz CTNLGSBDNWBNHJ-WFFDWFOESA-N 1 3 270.420 3.400 20 0 CGADHO CC[NH2+]CCCN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000643499170 380320932 /nfs/dbraw/zinc/32/09/32/380320932.db2.gz DEIPGSRSAARFJB-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000643503390 380326673 /nfs/dbraw/zinc/32/66/73/380326673.db2.gz KVAKXVJMMXGIJF-MGPQQGTHSA-N 1 3 266.454 3.047 20 0 CGADHO CC[C@H](Cc1cccs1)NCCC[NH2+]C(C)C ZINC000643508282 380332234 /nfs/dbraw/zinc/33/22/34/380332234.db2.gz AWUJZDQHDDANIO-CYBMUJFWSA-N 1 3 254.443 3.047 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc3cnccc3c2)C[C@@H]1C[NH3+] ZINC000643427669 380305196 /nfs/dbraw/zinc/30/51/96/380305196.db2.gz VFMAQCGAHWAKDQ-GLJUWKHASA-N 1 3 283.419 3.040 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463537 380311859 /nfs/dbraw/zinc/31/18/59/380311859.db2.gz CFCBXGVVTQCQSK-RDJZCZTQSA-N 1 3 274.452 3.332 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)c2ccccc21 ZINC000643547794 380363734 /nfs/dbraw/zinc/36/37/34/380363734.db2.gz JAPRIZQMDGKPKT-KEYYUXOJSA-N 1 3 270.420 3.499 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643548368 380363834 /nfs/dbraw/zinc/36/38/34/380363834.db2.gz OKPOAQPMCWHFTH-OWCLPIDISA-N 1 3 264.457 3.466 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548853 380365080 /nfs/dbraw/zinc/36/50/80/380365080.db2.gz WCODDSZHEPRHRV-RDJZCZTQSA-N 1 3 288.410 3.467 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682624 380370568 /nfs/dbraw/zinc/37/05/68/380370568.db2.gz YRUUORMOVRZLIN-AGIUHOORSA-N 1 3 282.378 3.346 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2CN)cc2cccnc12 ZINC000414768268 380396363 /nfs/dbraw/zinc/39/63/63/380396363.db2.gz LOGWVPMHZPIJKM-GUYCJALGSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2CN)cc2cccnc12 ZINC000414768268 380396370 /nfs/dbraw/zinc/39/63/70/380396370.db2.gz LOGWVPMHZPIJKM-GUYCJALGSA-N 1 3 283.419 3.102 20 0 CGADHO C[C@H]1C[C@H](CNC2(c3ccc(F)cc3F)CCC2)CC[NH2+]1 ZINC000414710696 380382997 /nfs/dbraw/zinc/38/29/97/380382997.db2.gz QGWSVBSPWCITPT-QWHCGFSZSA-N 1 3 294.389 3.322 20 0 CGADHO CCCC[C@H](CC)CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414771696 380396947 /nfs/dbraw/zinc/39/69/47/380396947.db2.gz AGYOJMUBPWJVPU-IRXDYDNUSA-N 1 3 296.499 3.280 20 0 CGADHO CCCC[C@H](CC)CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414771696 380396955 /nfs/dbraw/zinc/39/69/55/380396955.db2.gz AGYOJMUBPWJVPU-IRXDYDNUSA-N 1 3 296.499 3.280 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)N)c1ccc2cc(OC)ccc2c1 ZINC000643526221 380341049 /nfs/dbraw/zinc/34/10/49/380341049.db2.gz VGNXSEAEPMPABZ-PXAZEXFGSA-N 1 3 272.392 3.236 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(-c2cccs2)cc1 ZINC000643528348 380344939 /nfs/dbraw/zinc/34/49/39/380344939.db2.gz HJSPFGIJXXXQKE-NWDGAFQWSA-N 1 3 260.406 3.413 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000643533868 380347954 /nfs/dbraw/zinc/34/79/54/380347954.db2.gz GPOGEHDLYDTDID-QMTHXVAHSA-N 1 3 282.790 3.272 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643537092 380354491 /nfs/dbraw/zinc/35/44/91/380354491.db2.gz ZEIJJRSRSYWVIR-DGCLKSJQSA-N 1 3 293.480 3.368 20 0 CGADHO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000354178744 380355232 /nfs/dbraw/zinc/35/52/32/380355232.db2.gz XSEQJKVTXUYICK-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000354178744 380355237 /nfs/dbraw/zinc/35/52/37/380355237.db2.gz XSEQJKVTXUYICK-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643545789 380357718 /nfs/dbraw/zinc/35/77/18/380357718.db2.gz CIGHNQCNJIHEJQ-OLZOCXBDSA-N 1 3 264.438 3.464 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(OC)c1 ZINC000643545831 380357987 /nfs/dbraw/zinc/35/79/87/380357987.db2.gz CVWUNRWPISXVGL-WBVHZDCISA-N 1 3 288.435 3.411 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546571 380359277 /nfs/dbraw/zinc/35/92/77/380359277.db2.gz RGNWXJACWWQDTA-RDJZCZTQSA-N 1 3 270.420 3.328 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546477 380359675 /nfs/dbraw/zinc/35/96/75/380359675.db2.gz PHLMDFKTQDQCOK-CHWSQXEVSA-N 1 3 264.438 3.382 20 0 CGADHO COc1ccccc1C[C@H](C)NCC1([NH3+])CCCCCC1 ZINC000414857206 380457298 /nfs/dbraw/zinc/45/72/98/380457298.db2.gz BVNHHLFFMCNGKV-HNNXBMFYSA-N 1 3 290.451 3.268 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414823918 380434408 /nfs/dbraw/zinc/43/44/08/380434408.db2.gz FFPSNLFUNFIJCH-NJAFHUGGSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)[C@H]1CCCNC1 ZINC000414825897 380435492 /nfs/dbraw/zinc/43/54/92/380435492.db2.gz UOYPVESQJSSVQB-RNIPGJKVSA-N 1 3 286.463 3.475 20 0 CGADHO Clc1cccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774643 380398359 /nfs/dbraw/zinc/39/83/59/380398359.db2.gz FOALQLOLNXWIKD-LSDHHAIUSA-N 1 3 278.827 3.162 20 0 CGADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC1CC[NH2+]CC1 ZINC000414779694 380401095 /nfs/dbraw/zinc/40/10/95/380401095.db2.gz JYKKATWRZYUOMW-JTQLQIEISA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCNCC1 ZINC000414779694 380401103 /nfs/dbraw/zinc/40/11/03/380401103.db2.gz JYKKATWRZYUOMW-JTQLQIEISA-N 1 3 287.234 3.266 20 0 CGADHO Fc1c(Cl)cccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777894 380401150 /nfs/dbraw/zinc/40/11/50/380401150.db2.gz IOJWFNXUNARZTR-QWHCGFSZSA-N 1 3 296.817 3.301 20 0 CGADHO Clc1sccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782788 380402386 /nfs/dbraw/zinc/40/23/86/380402386.db2.gz OVPPUXPVKBYXTH-RYUDHWBXSA-N 1 3 284.856 3.223 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414793585 380409152 /nfs/dbraw/zinc/40/91/52/380409152.db2.gz KTZJVLWHWFYIBO-ZACQAIPSSA-N 1 3 260.425 3.070 20 0 CGADHO CCOc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414801710 380414818 /nfs/dbraw/zinc/41/48/18/380414818.db2.gz AODNAJCIFJRMDJ-AWEZNQCLSA-N 1 3 284.403 3.395 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414805421 380417714 /nfs/dbraw/zinc/41/77/14/380417714.db2.gz YLJYUPPPUNNZDW-ARFHVFGLSA-N 1 3 264.388 3.035 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414805425 380417854 /nfs/dbraw/zinc/41/78/54/380417854.db2.gz YLJYUPPPUNNZDW-OAGGEKHMSA-N 1 3 264.388 3.035 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCCNCC1)c1ccccc1 ZINC000414911782 380486072 /nfs/dbraw/zinc/48/60/72/380486072.db2.gz HCPVLZRZWDJWLC-SJORKVTESA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414910325 380486305 /nfs/dbraw/zinc/48/63/05/380486305.db2.gz UUNCLHWPEDGADA-KZNAEPCWSA-N 1 3 272.436 3.229 20 0 CGADHO CCC[C@H](Cc1ccccc1)NCC[C@H]1CCC[NH2+]1 ZINC000414912407 380487223 /nfs/dbraw/zinc/48/72/23/380487223.db2.gz XZNAVOHUBMMIAA-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO CCCC1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000414918985 380489702 /nfs/dbraw/zinc/48/97/02/380489702.db2.gz VQNGTTAOGYJBFQ-UYSNPLJNSA-N 1 3 252.446 3.325 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000414919070 380490292 /nfs/dbraw/zinc/49/02/92/380490292.db2.gz UEUGXLLYEKTWPA-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO CCCCc1oc2ccccc2c1C[NH2+][C@H](C)CN ZINC000414921090 380490388 /nfs/dbraw/zinc/49/03/88/380490388.db2.gz AGIDUOLHFJZNRR-GFCCVEGCSA-N 1 3 260.381 3.212 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000414927993 380492160 /nfs/dbraw/zinc/49/21/60/380492160.db2.gz PSYFEAKSRJFKMC-WDEREUQCSA-N 1 3 273.207 3.353 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414947943 380501795 /nfs/dbraw/zinc/50/17/95/380501795.db2.gz LOVIKGLWUPXNPY-IJLUTSLNSA-N 1 3 286.872 3.453 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947943 380501801 /nfs/dbraw/zinc/50/18/01/380501801.db2.gz LOVIKGLWUPXNPY-IJLUTSLNSA-N 1 3 286.872 3.453 20 0 CGADHO c1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059111 380507772 /nfs/dbraw/zinc/50/77/72/380507772.db2.gz WPDKCPRJHBCSBC-RBUKOAKNSA-N 1 3 284.447 3.139 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)CN)cc1 ZINC000414876547 380470748 /nfs/dbraw/zinc/47/07/48/380470748.db2.gz LNIRHRNXBSBSJF-JLSDUUJJSA-N 1 3 290.451 3.294 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414877333 380471700 /nfs/dbraw/zinc/47/17/00/380471700.db2.gz MKUSCMTYWJQMTP-ZJUUUORDSA-N 1 3 275.223 3.109 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414877333 380471706 /nfs/dbraw/zinc/47/17/06/380471706.db2.gz MKUSCMTYWJQMTP-ZJUUUORDSA-N 1 3 275.223 3.109 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[C@H](c2ccccc2)C1 ZINC000414895766 380477811 /nfs/dbraw/zinc/47/78/11/380477811.db2.gz ZJWWMSPBJYCGCV-XOYOTBSWSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H](CCC1CCCC1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899557 380480975 /nfs/dbraw/zinc/48/09/75/380480975.db2.gz CMCVXXUJJBCISS-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414905328 380484334 /nfs/dbraw/zinc/48/43/34/380484334.db2.gz NNZZJARFSTVWIF-DLBZAZTESA-N 1 3 260.425 3.048 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(OCCN(C)C)c1 ZINC000417371140 380613088 /nfs/dbraw/zinc/61/30/88/380613088.db2.gz VCNXQSBWUFZVJY-ZBFHGGJFSA-N 1 3 288.435 3.078 20 0 CGADHO Cc1cc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccn1 ZINC000358151496 381294195 /nfs/dbraw/zinc/29/41/95/381294195.db2.gz ODEIZRULTWTZQU-INMHGKMJSA-N 1 3 273.424 3.232 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@]2(C)CCOC2)CC1 ZINC000358713282 381324270 /nfs/dbraw/zinc/32/42/70/381324270.db2.gz KDXKBQZHPXOYCI-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000358713282 381324273 /nfs/dbraw/zinc/32/42/73/381324273.db2.gz KDXKBQZHPXOYCI-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO C[N@H+](CCSc1ccc(Cl)cc1)[C@@H](CN)C1CC1 ZINC000359900008 381380777 /nfs/dbraw/zinc/38/07/77/381380777.db2.gz NZSQJGXAOZUWMD-AWEZNQCLSA-N 1 3 284.856 3.101 20 0 CGADHO C[N@@H+](CCSc1ccc(Cl)cc1)[C@@H](CN)C1CC1 ZINC000359900008 381380782 /nfs/dbraw/zinc/38/07/82/381380782.db2.gz NZSQJGXAOZUWMD-AWEZNQCLSA-N 1 3 284.856 3.101 20 0 CGADHO CC(C)(C[NH2+]C[C@@H]1CC=CCC1)CN1CCCC1 ZINC000360169477 381466748 /nfs/dbraw/zinc/46/67/48/381466748.db2.gz SHNKEFYXYSWUCO-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2cccc(OC)c2)C1 ZINC000360242568 381493978 /nfs/dbraw/zinc/49/39/78/381493978.db2.gz PIWOBGAXGYRJTD-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2cccc(OC)c2)C1 ZINC000360242568 381493985 /nfs/dbraw/zinc/49/39/85/381493985.db2.gz PIWOBGAXGYRJTD-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000360242568 381493993 /nfs/dbraw/zinc/49/39/93/381493993.db2.gz PIWOBGAXGYRJTD-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362506189 382024147 /nfs/dbraw/zinc/02/41/47/382024147.db2.gz QKFLNTRHLMDOLY-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CCSC3)C2)CC1 ZINC000365868571 382297671 /nfs/dbraw/zinc/29/76/71/382297671.db2.gz BPZWOGUZFJYTLL-SJORKVTESA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000365868571 382297677 /nfs/dbraw/zinc/29/76/77/382297677.db2.gz BPZWOGUZFJYTLL-SJORKVTESA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000365868571 382297681 /nfs/dbraw/zinc/29/76/81/382297681.db2.gz BPZWOGUZFJYTLL-SJORKVTESA-N 1 3 296.524 3.183 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000247199929 542330098 /nfs/dbraw/zinc/33/00/98/542330098.db2.gz UYVVPMKYYKJZCN-UXLLHSPISA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340004 296342982 /nfs/dbraw/zinc/34/29/82/296342982.db2.gz RTDQRPOXECBWRS-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280885912 195014718 /nfs/dbraw/zinc/01/47/18/195014718.db2.gz OPZUOJPERPSFRZ-RCCFBDPRSA-N 1 3 287.451 3.385 20 0 CGADHO COc1ccc([C@H](CCC(C)C)NC[C@H](C)C[NH3+])cc1 ZINC000423297483 533178489 /nfs/dbraw/zinc/17/84/89/533178489.db2.gz KKWKMNUEFTUSMP-PBHICJAKSA-N 1 3 278.440 3.357 20 0 CGADHO C/C=C\C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309724575 542425976 /nfs/dbraw/zinc/42/59/76/542425976.db2.gz PDYGBRBGTKPYTC-NSWPXQNRSA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C\CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309724575 542425979 /nfs/dbraw/zinc/42/59/79/542425979.db2.gz PDYGBRBGTKPYTC-NSWPXQNRSA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C\CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724575 542425981 /nfs/dbraw/zinc/42/59/81/542425981.db2.gz PDYGBRBGTKPYTC-NSWPXQNRSA-N 1 3 258.409 3.063 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cc(Cl)cc3cccnc32)C1 ZINC000334845155 542461691 /nfs/dbraw/zinc/46/16/91/542461691.db2.gz IAUJLHPFYCNSEA-LSDHHAIUSA-N 1 3 289.810 3.248 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000423404705 533198803 /nfs/dbraw/zinc/19/88/03/533198803.db2.gz XPMWAGUUWNKXHO-BFYDXBDKSA-N 1 3 274.408 3.006 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(F)c1 ZINC000423361838 533450544 /nfs/dbraw/zinc/45/05/44/533450544.db2.gz SFHYQNCGHPUPAO-LLVKDONJSA-N 1 3 288.341 3.419 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357866433 533521401 /nfs/dbraw/zinc/52/14/01/533521401.db2.gz DENKGRJCBIYSDA-LBPRGKRZSA-N 1 3 280.378 3.429 20 0 CGADHO CSCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915804 533579895 /nfs/dbraw/zinc/57/98/95/533579895.db2.gz RKPIMAVXRQFABG-WBVHZDCISA-N 1 3 292.492 3.334 20 0 CGADHO CSCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915804 533579898 /nfs/dbraw/zinc/57/98/98/533579898.db2.gz RKPIMAVXRQFABG-WBVHZDCISA-N 1 3 292.492 3.334 20 0 CGADHO C[C@@H](N[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000423459116 533532505 /nfs/dbraw/zinc/53/25/05/533532505.db2.gz HQOZXZXUMSWRSE-UNQZSWDGSA-N 1 3 272.845 3.219 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(C)CC2)CC1 ZINC000358180576 533607977 /nfs/dbraw/zinc/60/79/77/533607977.db2.gz AQCVDAVGVXVFAO-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C)CC2)CC1 ZINC000358180576 533607983 /nfs/dbraw/zinc/60/79/83/533607983.db2.gz AQCVDAVGVXVFAO-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CCN1 ZINC000423365797 533659400 /nfs/dbraw/zinc/65/94/00/533659400.db2.gz BVXSKTQRHQHNDG-XFBWCDHKSA-N 1 3 262.372 3.007 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)ccn1 ZINC000338002011 285441768 /nfs/dbraw/zinc/44/17/68/285441768.db2.gz RGCWEWOCKYBFET-RTBURBONSA-N 1 3 299.462 3.466 20 0 CGADHO CC(C)Oc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000385728637 542602343 /nfs/dbraw/zinc/60/23/43/542602343.db2.gz XNWAIJIHSQSWLR-WMZOPIPTSA-N 1 3 288.435 3.035 20 0 CGADHO CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000385728637 542602347 /nfs/dbraw/zinc/60/23/47/542602347.db2.gz XNWAIJIHSQSWLR-WMZOPIPTSA-N 1 3 288.435 3.035 20 0 CGADHO CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000385728637 542602350 /nfs/dbraw/zinc/60/23/50/542602350.db2.gz XNWAIJIHSQSWLR-WMZOPIPTSA-N 1 3 288.435 3.035 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383312949 542600458 /nfs/dbraw/zinc/60/04/58/542600458.db2.gz QJIZDEWNILQIIK-UAGQMJEPSA-N 1 3 276.399 3.338 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000383312949 542600462 /nfs/dbraw/zinc/60/04/62/542600462.db2.gz QJIZDEWNILQIIK-UAGQMJEPSA-N 1 3 276.399 3.338 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000383312949 542600465 /nfs/dbraw/zinc/60/04/65/542600465.db2.gz QJIZDEWNILQIIK-UAGQMJEPSA-N 1 3 276.399 3.338 20 0 CGADHO CC[C@@H](Cc1ccccc1Br)N(C)CCC[NH3+] ZINC000414750893 542638196 /nfs/dbraw/zinc/63/81/96/542638196.db2.gz ZBTNUPNFSPBOKJ-ZDUSSCGKSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCCN ZINC000414750893 542638200 /nfs/dbraw/zinc/63/82/00/542638200.db2.gz ZBTNUPNFSPBOKJ-ZDUSSCGKSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCCN ZINC000414750893 542638202 /nfs/dbraw/zinc/63/82/02/542638202.db2.gz ZBTNUPNFSPBOKJ-ZDUSSCGKSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@H](Cc1ccccc1Br)N(C)CCC[NH3+] ZINC000414750892 542638475 /nfs/dbraw/zinc/63/84/75/542638475.db2.gz ZBTNUPNFSPBOKJ-CYBMUJFWSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCCN ZINC000414750892 542638479 /nfs/dbraw/zinc/63/84/79/542638479.db2.gz ZBTNUPNFSPBOKJ-CYBMUJFWSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCCN ZINC000414750892 542638480 /nfs/dbraw/zinc/63/84/80/542638480.db2.gz ZBTNUPNFSPBOKJ-CYBMUJFWSA-N 1 3 299.256 3.051 20 0 CGADHO C[C@@H]1CCN(CCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699004 542638798 /nfs/dbraw/zinc/63/87/98/542638798.db2.gz DROVBBDCEUNSSH-RISCZKNCSA-N 1 3 286.341 3.437 20 0 CGADHO Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414910501 542639349 /nfs/dbraw/zinc/63/93/49/542639349.db2.gz CYEAKIJZXUPUMV-STQMWFEESA-N 1 3 252.789 3.008 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@@H]1C ZINC000414907730 542639362 /nfs/dbraw/zinc/63/93/62/542639362.db2.gz AVMFYENYNYGPPJ-QMHWVQJVSA-N 1 3 252.446 3.307 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H]1C ZINC000414907734 542639381 /nfs/dbraw/zinc/63/93/81/542639381.db2.gz AVMFYENYNYGPPJ-SUJAAXHWSA-N 1 3 252.446 3.307 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414910498 542639707 /nfs/dbraw/zinc/63/97/07/542639707.db2.gz CYEAKIJZXUPUMV-CHWSQXEVSA-N 1 3 252.789 3.008 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)c1 ZINC000414934124 542640179 /nfs/dbraw/zinc/64/01/79/542640179.db2.gz XSSPMXYPUGPHOH-UAGQMJEPSA-N 1 3 260.425 3.176 20 0 CGADHO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(CCC[NH3+])C1 ZINC000414699209 542638343 /nfs/dbraw/zinc/63/83/43/542638343.db2.gz DMZMKOSJILFZSU-SMDDNHRTSA-N 1 3 286.341 3.437 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649321 391982434 /nfs/dbraw/zinc/98/24/34/391982434.db2.gz JKIIKXASMVTAQT-HUUCEWRRSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649321 391982436 /nfs/dbraw/zinc/98/24/36/391982436.db2.gz JKIIKXASMVTAQT-HUUCEWRRSA-N 1 3 258.409 3.130 20 0 CGADHO C[C@H](CCN(C)CCC1CC1)[N@H+](C)CCC1CC1 ZINC000441224982 542664950 /nfs/dbraw/zinc/66/49/50/542664950.db2.gz GBPUJTXAHAQIPK-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CCN(C)CCC1CC1)[N@@H+](C)CCC1CC1 ZINC000441224982 542664953 /nfs/dbraw/zinc/66/49/53/542664953.db2.gz GBPUJTXAHAQIPK-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@H+](C)CCC1CC1)N(C)CCC1CC1 ZINC000441224982 542664959 /nfs/dbraw/zinc/66/49/59/542664959.db2.gz GBPUJTXAHAQIPK-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@@H+](C)CCC1CC1)N(C)CCC1CC1 ZINC000441224982 542664965 /nfs/dbraw/zinc/66/49/65/542664965.db2.gz GBPUJTXAHAQIPK-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000245632605 131087128 /nfs/dbraw/zinc/08/71/28/131087128.db2.gz QNZDXYGMSZGIPD-QZTJIDSGSA-N 1 3 287.451 3.047 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000245632605 131087130 /nfs/dbraw/zinc/08/71/30/131087130.db2.gz QNZDXYGMSZGIPD-QZTJIDSGSA-N 1 3 287.451 3.047 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)cc2)C1 ZINC000249381186 131121227 /nfs/dbraw/zinc/12/12/27/131121227.db2.gz RMYFFALFEKTQJE-KGLIPLIRSA-N 1 3 278.465 3.401 20 0 CGADHO c1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250811112 131127229 /nfs/dbraw/zinc/12/72/29/131127229.db2.gz LHLRPZVXQHIYDB-IKJBURDNSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250811112 131127231 /nfs/dbraw/zinc/12/72/31/131127231.db2.gz LHLRPZVXQHIYDB-IKJBURDNSA-N 1 3 270.420 3.149 20 0 CGADHO Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000111716047 392381693 /nfs/dbraw/zinc/38/16/93/392381693.db2.gz CJNQRTGGABRSLM-ZIAGYGMSSA-N 1 3 269.392 3.107 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000153445556 392517183 /nfs/dbraw/zinc/51/71/83/392517183.db2.gz HPJGYNZZYWVEIH-KXBFYZLASA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000153445556 392517190 /nfs/dbraw/zinc/51/71/90/392517190.db2.gz HPJGYNZZYWVEIH-KXBFYZLASA-N 1 3 295.430 3.178 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000293751442 392526984 /nfs/dbraw/zinc/52/69/84/392526984.db2.gz QIVKZTRLOJDDSY-VDHUWJSZSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000293751442 392526988 /nfs/dbraw/zinc/52/69/88/392526988.db2.gz QIVKZTRLOJDDSY-VDHUWJSZSA-N 1 3 288.410 3.288 20 0 CGADHO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1 ZINC000292356781 392503789 /nfs/dbraw/zinc/50/37/89/392503789.db2.gz RATXHANFORHADK-SFHVURJKSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000292356781 392503796 /nfs/dbraw/zinc/50/37/96/392503796.db2.gz RATXHANFORHADK-SFHVURJKSA-N 1 3 281.403 3.075 20 0 CGADHO CCc1cc(N2CCC[N@@H+](CC)CC2)c2ccccc2n1 ZINC000301765981 392598249 /nfs/dbraw/zinc/59/82/49/392598249.db2.gz BJMOUJXLCGYHOO-UHFFFAOYSA-N 1 3 283.419 3.329 20 0 CGADHO CCc1cc(N2CCC[N@H+](CC)CC2)c2ccccc2n1 ZINC000301765981 392598250 /nfs/dbraw/zinc/59/82/50/392598250.db2.gz BJMOUJXLCGYHOO-UHFFFAOYSA-N 1 3 283.419 3.329 20 0 CGADHO CN1CC=C(C[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000371680793 392546258 /nfs/dbraw/zinc/54/62/58/392546258.db2.gz LYWICQNMMUNJHI-UHFFFAOYSA-N 1 3 290.838 3.438 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000305109325 392630771 /nfs/dbraw/zinc/63/07/71/392630771.db2.gz FFBNZMXGUJXXAL-WBVHZDCISA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000305109325 392630776 /nfs/dbraw/zinc/63/07/76/392630776.db2.gz FFBNZMXGUJXXAL-WBVHZDCISA-N 1 3 296.499 3.170 20 0 CGADHO CCSCC[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000372927319 392647249 /nfs/dbraw/zinc/64/72/49/392647249.db2.gz MNCNDTSTBIWOHR-UHFFFAOYSA-N 1 3 298.521 3.303 20 0 CGADHO CCCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506477744 392726470 /nfs/dbraw/zinc/72/64/70/392726470.db2.gz CCMOBYMIRSNQJC-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO CCCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506477744 392726475 /nfs/dbraw/zinc/72/64/75/392726475.db2.gz CCMOBYMIRSNQJC-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647479320 392735368 /nfs/dbraw/zinc/73/53/68/392735368.db2.gz CBWJVBURKATOEM-VJANTYMQSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc(OCCCCN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482415 392737376 /nfs/dbraw/zinc/73/73/76/392737376.db2.gz DFGKPSHOJHMONN-UHFFFAOYSA-N 1 3 288.435 3.062 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CC(C)(C)c2ccccc2)C1 ZINC000647496573 392740805 /nfs/dbraw/zinc/74/08/05/392740805.db2.gz YZYYTCZRDSXNCX-HUUCEWRRSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496573 392740807 /nfs/dbraw/zinc/74/08/07/392740807.db2.gz YZYYTCZRDSXNCX-HUUCEWRRSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496573 392740808 /nfs/dbraw/zinc/74/08/08/392740808.db2.gz YZYYTCZRDSXNCX-HUUCEWRRSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H](C)CCc2ccccc2)CC[C@@H]1N ZINC000647499106 392742181 /nfs/dbraw/zinc/74/21/81/392742181.db2.gz ZNPBSZWFGRNXRQ-JQHSSLGASA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H](C)CCc2ccccc2)CC[C@@H]1N ZINC000647499106 392742187 /nfs/dbraw/zinc/74/21/87/392742187.db2.gz ZNPBSZWFGRNXRQ-JQHSSLGASA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1CN(C[C@@H](C)CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647499106 392742197 /nfs/dbraw/zinc/74/21/97/392742197.db2.gz ZNPBSZWFGRNXRQ-JQHSSLGASA-N 1 3 274.452 3.315 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3cccnc32)[C@H]2CCC[C@@H]21 ZINC000375894822 392836825 /nfs/dbraw/zinc/83/68/25/392836825.db2.gz GTOSTRXZCUESRH-SQNIBIBYSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3cccnc32)[C@H]2CCC[C@@H]21 ZINC000375894822 392836830 /nfs/dbraw/zinc/83/68/30/392836830.db2.gz GTOSTRXZCUESRH-SQNIBIBYSA-N 1 3 295.430 3.197 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000510698951 392810223 /nfs/dbraw/zinc/81/02/23/392810223.db2.gz ANHNYXKMLSDCTR-BZUAXINKSA-N 1 3 270.436 3.226 20 0 CGADHO c1ccc([C@@H]2CN(C[C@@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874653 392821229 /nfs/dbraw/zinc/82/12/29/392821229.db2.gz JUKXDZDLLNBYKC-UZLBHIALSA-N 1 3 292.426 3.244 20 0 CGADHO c1ccc(CN(C[C@@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000647879589 392822279 /nfs/dbraw/zinc/82/22/79/392822279.db2.gz VPHUYJMYDKKTHR-QGZVFWFLSA-N 1 3 272.436 3.431 20 0 CGADHO CN(Cc1ccccc1-c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880964 392822492 /nfs/dbraw/zinc/82/24/92/392822492.db2.gz JGNLRJXXNANOFJ-MRXNPFEDSA-N 1 3 280.415 3.395 20 0 CGADHO C[C@H]1c2ccc(F)cc2CCN1CCC1CC[NH2+]CC1 ZINC000647886741 392826429 /nfs/dbraw/zinc/82/64/29/392826429.db2.gz PFHYGXGRYYWJHD-ZDUSSCGKSA-N 1 3 276.399 3.135 20 0 CGADHO C(CC1CC[NH2+]CC1)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000647889404 392826908 /nfs/dbraw/zinc/82/69/08/392826908.db2.gz NIOBKUWNPXBZRT-JKSUJKDBSA-N 1 3 282.497 3.126 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000377009958 392882576 /nfs/dbraw/zinc/88/25/76/392882576.db2.gz ODGAQDIOOQWSIF-RDJZCZTQSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000377009958 392882585 /nfs/dbraw/zinc/88/25/85/392882585.db2.gz ODGAQDIOOQWSIF-RDJZCZTQSA-N 1 3 296.499 3.434 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2cccc(Cl)c2F)C1 ZINC000414985866 393081402 /nfs/dbraw/zinc/08/14/02/393081402.db2.gz BQEQGAUDZQLWTE-JQWIXIFHSA-N 1 3 270.779 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000347740915 393108351 /nfs/dbraw/zinc/10/83/51/393108351.db2.gz VLYCHIYDHHIHEA-AQFXKWCLSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000347740915 393108356 /nfs/dbraw/zinc/10/83/56/393108356.db2.gz VLYCHIYDHHIHEA-AQFXKWCLSA-N 1 3 264.457 3.230 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2ccc(Cl)cc2F)C1 ZINC000415000136 393085776 /nfs/dbraw/zinc/08/57/76/393085776.db2.gz KAKKCNMLUZXJFG-MFKMUULPSA-N 1 3 270.779 3.086 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2ccccc2Br)C1 ZINC000415004619 393089803 /nfs/dbraw/zinc/08/98/03/393089803.db2.gz YJBRMGZOIZIIKN-YPMHNXCESA-N 1 3 297.240 3.056 20 0 CGADHO Cc1cc(C[NH2+][C@H](C)[C@@H](C)N)ccc1Oc1cccnc1 ZINC000415011977 393095277 /nfs/dbraw/zinc/09/52/77/393095277.db2.gz RRAXKWTUCIJRQA-ZIAGYGMSSA-N 1 3 285.391 3.008 20 0 CGADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CCc1ccc(Cl)s1 ZINC000415020197 393099576 /nfs/dbraw/zinc/09/95/76/393099576.db2.gz SNWUYCQFZQCOJP-BBBLOLIVSA-N 1 3 260.834 3.048 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)CO)CC1 ZINC000648485168 393059633 /nfs/dbraw/zinc/05/96/33/393059633.db2.gz HOEXSTMJNSCZPC-UHFFFAOYSA-N 1 3 298.515 3.274 20 0 CGADHO CCCC1CCC(C[NH2+][C@H]2CCNC[C@H]2C)CC1 ZINC000414951637 393061008 /nfs/dbraw/zinc/06/10/08/393061008.db2.gz HVHJSMWVKBWHML-LMPOIIKSSA-N 1 3 252.446 3.181 20 0 CGADHO c1cc2c(cc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CCCN2 ZINC000414982840 393079304 /nfs/dbraw/zinc/07/93/04/393079304.db2.gz STFYZYSNJSWKFY-NZSAHSFTSA-N 1 3 299.462 3.055 20 0 CGADHO CC(C)n1nccc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415046072 393110831 /nfs/dbraw/zinc/11/08/31/393110831.db2.gz CJZMDTJTMLVVTP-KRWDZBQOSA-N 1 3 286.423 3.034 20 0 CGADHO [NH3+]CCC[C@H](NCc1ccsc1)c1ccccc1 ZINC000415050677 393112652 /nfs/dbraw/zinc/11/26/52/393112652.db2.gz JAZLIDNEERUEQR-HNNXBMFYSA-N 1 3 260.406 3.318 20 0 CGADHO c1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059114 393119982 /nfs/dbraw/zinc/11/99/82/393119982.db2.gz WPDKCPRJHBCSBC-RTBURBONSA-N 1 3 284.447 3.139 20 0 CGADHO Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415069179 393128348 /nfs/dbraw/zinc/12/83/48/393128348.db2.gz OFWGVTNPARGPGL-SJORKVTESA-N 1 3 276.399 3.194 20 0 CGADHO C[C@@H](CNCC(C)(C)[NH3+])c1c(Cl)cccc1Cl ZINC000415081920 393136507 /nfs/dbraw/zinc/13/65/07/393136507.db2.gz LGXXYAYYWXZOFS-VIFPVBQESA-N 1 3 275.223 3.424 20 0 CGADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415086495 393138103 /nfs/dbraw/zinc/13/81/03/393138103.db2.gz JSDJRMUKZJLICZ-KZNAEPCWSA-N 1 3 298.430 3.486 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(Br)cc1 ZINC000261563274 393140494 /nfs/dbraw/zinc/14/04/94/393140494.db2.gz WXDPHRUCIVOAMB-MJVIPROJSA-N 1 3 297.240 3.098 20 0 CGADHO Cc1ccc([C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c(C)c1 ZINC000261837135 393142811 /nfs/dbraw/zinc/14/28/11/393142811.db2.gz RRTOJWKKNCFHSV-SJORKVTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c(C)c1 ZINC000261837135 393142818 /nfs/dbraw/zinc/14/28/18/393142818.db2.gz RRTOJWKKNCFHSV-SJORKVTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837135 393142824 /nfs/dbraw/zinc/14/28/24/393142824.db2.gz RRTOJWKKNCFHSV-SJORKVTESA-N 1 3 272.436 3.092 20 0 CGADHO CC(C)([NH3+])CNC[C@H](Cc1ccccc1)c1ccccc1 ZINC000415122546 393150333 /nfs/dbraw/zinc/15/03/33/393150333.db2.gz ODQNIXKRXLWNFD-SFHVURJKSA-N 1 3 282.431 3.340 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]CC2=CCCCC2)cc1 ZINC000648632720 393154036 /nfs/dbraw/zinc/15/40/36/393154036.db2.gz UHSPIXFSDPTZFW-UHFFFAOYSA-N 1 3 288.435 3.217 20 0 CGADHO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000277221628 393306322 /nfs/dbraw/zinc/30/63/22/393306322.db2.gz RWFULEVVJOQYOI-HNNXBMFYSA-N 1 3 283.419 3.464 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278522565 393322409 /nfs/dbraw/zinc/32/24/09/393322409.db2.gz MYELPIZGKJFIFA-IAGOWNOFSA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278522565 393322411 /nfs/dbraw/zinc/32/24/11/393322411.db2.gz MYELPIZGKJFIFA-IAGOWNOFSA-N 1 3 290.451 3.147 20 0 CGADHO C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000355581031 393330986 /nfs/dbraw/zinc/33/09/86/393330986.db2.gz JFMFKMQVCMMSLU-UONOGXRCSA-N 1 3 252.446 3.275 20 0 CGADHO c1cncc([C@H]([NH2+]C2CCN(CC3CC3)CC2)C2CCC2)c1 ZINC000281019103 393348076 /nfs/dbraw/zinc/34/80/76/393348076.db2.gz ZFTPVDQVOGBMPL-LJQANCHMSA-N 1 3 299.462 3.387 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(F)(F)CC1 ZINC000647168447 393366746 /nfs/dbraw/zinc/36/67/46/393366746.db2.gz VSXZVOLRLDNOHP-ZDUSSCGKSA-N 1 3 274.399 3.418 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]([NH3+])[C@@H]1C ZINC000420257819 393443820 /nfs/dbraw/zinc/44/38/20/393443820.db2.gz WYZRFYGIXVYJNV-WFASDCNBSA-N 1 3 269.392 3.032 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000487278483 393451389 /nfs/dbraw/zinc/45/13/89/393451389.db2.gz OACZTPXJSLIHLN-SOUVJXGZSA-N 1 3 252.446 3.131 20 0 CGADHO [NH3+]CCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420394037 393483018 /nfs/dbraw/zinc/48/30/18/393483018.db2.gz CKKATQVJFAJSND-CYBMUJFWSA-N 1 3 272.314 3.095 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323641 393466671 /nfs/dbraw/zinc/46/66/71/393466671.db2.gz GMYGBVUKTGUSQY-RDBSUJKOSA-N 1 3 294.389 3.347 20 0 CGADHO Cc1ccc(OCCC[NH2+][C@H]2CCNCC2(C)C)cc1C ZINC000420356800 393472610 /nfs/dbraw/zinc/47/26/10/393472610.db2.gz GNEZKEODUVHGPW-KRWDZBQOSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1ccc(OCCCN[C@H]2CC[NH2+]CC2(C)C)cc1C ZINC000420356800 393472619 /nfs/dbraw/zinc/47/26/19/393472619.db2.gz GNEZKEODUVHGPW-KRWDZBQOSA-N 1 3 290.451 3.050 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000420359777 393475353 /nfs/dbraw/zinc/47/53/53/393475353.db2.gz KJSQFLLOSBPJTF-OAHLLOKOSA-N 1 3 280.843 3.250 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCCCc1ccc(Cl)cc1 ZINC000420359777 393475361 /nfs/dbraw/zinc/47/53/61/393475361.db2.gz KJSQFLLOSBPJTF-OAHLLOKOSA-N 1 3 280.843 3.250 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000429535494 393475717 /nfs/dbraw/zinc/47/57/17/393475717.db2.gz IHELYEZYDLNPPN-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000429535494 393475719 /nfs/dbraw/zinc/47/57/19/393475719.db2.gz IHELYEZYDLNPPN-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCCC2CCCC2)CC1 ZINC000429535494 393475723 /nfs/dbraw/zinc/47/57/23/393475723.db2.gz IHELYEZYDLNPPN-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000429798639 393503266 /nfs/dbraw/zinc/50/32/66/393503266.db2.gz JVCRQPBCGVRUQW-ZJPYXAASSA-N 1 3 296.499 3.244 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCO[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000429798639 393503274 /nfs/dbraw/zinc/50/32/74/393503274.db2.gz JVCRQPBCGVRUQW-ZJPYXAASSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCSC3)CC2)C1 ZINC000358172323 393519839 /nfs/dbraw/zinc/51/98/39/393519839.db2.gz ILGVVMRJKBPUSD-KBMXLJTQSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCSC3)CC2)C1 ZINC000358172323 393519846 /nfs/dbraw/zinc/51/98/46/393519846.db2.gz ILGVVMRJKBPUSD-KBMXLJTQSA-N 1 3 282.497 3.125 20 0 CGADHO C[NH+](C)Cc1cccc(-c2ccc([C@H]3CNCCO3)cc2)c1 ZINC000629706258 542783131 /nfs/dbraw/zinc/78/31/31/542783131.db2.gz HQUXXHXEDIBLHL-LJQANCHMSA-N 1 3 296.414 3.076 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCOc2cccc3ccccc32)C1 ZINC000430572203 393576903 /nfs/dbraw/zinc/57/69/03/393576903.db2.gz NPJXBVHXALHSRA-WBVHZDCISA-N 1 3 298.430 3.278 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666900743 542824836 /nfs/dbraw/zinc/82/48/36/542824836.db2.gz GJGWHNHXUYCXPP-INIZCTEOSA-N 1 3 258.409 3.042 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000666857816 542821868 /nfs/dbraw/zinc/82/18/68/542821868.db2.gz KLNZYVHUCKHZQC-SHARSMKWSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCCC[NH+]1CCCC1)[C@@H](C)C2 ZINC000491329579 393680724 /nfs/dbraw/zinc/68/07/24/393680724.db2.gz MZHXNPLGLBODQE-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)[C@@H](C)C2 ZINC000491329579 393680726 /nfs/dbraw/zinc/68/07/26/393680726.db2.gz MZHXNPLGLBODQE-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360984942 393630062 /nfs/dbraw/zinc/63/00/62/393630062.db2.gz SRGNOKWCMHXCNS-KBMXLJTQSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360984942 393630066 /nfs/dbraw/zinc/63/00/66/393630066.db2.gz SRGNOKWCMHXCNS-KBMXLJTQSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000360984942 393630070 /nfs/dbraw/zinc/63/00/70/393630070.db2.gz SRGNOKWCMHXCNS-KBMXLJTQSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCCF)CC2)C1 ZINC000360996809 393633330 /nfs/dbraw/zinc/63/33/30/393633330.db2.gz BEKUUDVJDBOQBQ-GDBMZVCRSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCCF)CC2)C1 ZINC000360996816 393633526 /nfs/dbraw/zinc/63/35/26/393633526.db2.gz BEKUUDVJDBOQBQ-HOCLYGCPSA-N 1 3 270.436 3.369 20 0 CGADHO CCO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1ccccc1 ZINC000423090375 393650456 /nfs/dbraw/zinc/65/04/56/393650456.db2.gz VHWNDTHIVLGRKZ-YESZJQIVSA-N 1 3 276.424 3.014 20 0 CGADHO CCO[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1ccccc1 ZINC000423090374 393650617 /nfs/dbraw/zinc/65/06/17/393650617.db2.gz VHWNDTHIVLGRKZ-IXDOHACOSA-N 1 3 276.424 3.014 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC000423179375 393652874 /nfs/dbraw/zinc/65/28/74/393652874.db2.gz MEZUBGKPGYEAIG-INIZCTEOSA-N 1 3 258.409 3.234 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423273687 393657578 /nfs/dbraw/zinc/65/75/78/393657578.db2.gz KVLMUBRGXCSKJJ-KGLIPLIRSA-N 1 3 297.240 3.009 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266979 393657759 /nfs/dbraw/zinc/65/77/59/393657759.db2.gz FAZXYLMRKPILLX-GXFFZTMASA-N 1 3 274.330 3.339 20 0 CGADHO CC(C)[C@H]1C[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000491002870 393662389 /nfs/dbraw/zinc/66/23/89/393662389.db2.gz CZNOFRBQCCPIDM-DOTOQJQBSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CCN1 ZINC000423380581 393665165 /nfs/dbraw/zinc/66/51/65/393665165.db2.gz NBFSQTFSAIZRSK-ISTRZQFTSA-N 1 3 292.854 3.391 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]1 ZINC000423380581 393665170 /nfs/dbraw/zinc/66/51/70/393665170.db2.gz NBFSQTFSAIZRSK-ISTRZQFTSA-N 1 3 292.854 3.391 20 0 CGADHO COc1ccc2ccccc2c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950744 542828039 /nfs/dbraw/zinc/82/80/39/542828039.db2.gz DIINGFZGWQHKJH-SFHVURJKSA-N 1 3 296.414 3.080 20 0 CGADHO C[C@H]1CCN(CCC[NH+]2CCCCC2)CC12CCC2 ZINC000444612351 393790425 /nfs/dbraw/zinc/79/04/25/393790425.db2.gz VREBFKQKXIGDAL-INIZCTEOSA-N 1 3 264.457 3.375 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000445414667 393793169 /nfs/dbraw/zinc/79/31/69/393793169.db2.gz YYVRGRVYZFHSBA-HOCLYGCPSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000445414667 393793172 /nfs/dbraw/zinc/79/31/72/393793172.db2.gz YYVRGRVYZFHSBA-HOCLYGCPSA-N 1 3 252.446 3.085 20 0 CGADHO CCC[C@@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000500100608 393817489 /nfs/dbraw/zinc/81/74/89/393817489.db2.gz YPTMGBOYAJEUTH-ZACQAIPSSA-N 1 3 296.499 3.386 20 0 CGADHO CCc1ccc([C@H](NCCC[NH+](C)C)C(C)C)cc1 ZINC000500129617 393819781 /nfs/dbraw/zinc/81/97/81/393819781.db2.gz OHEOGEGJXTXZGH-QGZVFWFLSA-N 1 3 262.441 3.487 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666993888 542832440 /nfs/dbraw/zinc/83/24/40/542832440.db2.gz QYINTDGANITHGP-KFWWJZLASA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995140 542832500 /nfs/dbraw/zinc/83/25/00/542832500.db2.gz DTBBPZLVQPJJDO-KFWWJZLASA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995139 542832705 /nfs/dbraw/zinc/83/27/05/542832705.db2.gz DTBBPZLVQPJJDO-ILXRZTDVSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666995185 542832749 /nfs/dbraw/zinc/83/27/49/542832749.db2.gz FNRNSAMOSXDPOF-ZBFHGGJFSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666995185 542832750 /nfs/dbraw/zinc/83/27/50/542832750.db2.gz FNRNSAMOSXDPOF-ZBFHGGJFSA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995399 542833693 /nfs/dbraw/zinc/83/36/93/542833693.db2.gz MURRRSOSMGGMJV-SOUVJXGZSA-N 1 3 250.430 3.075 20 0 CGADHO C([NH2+][C@H]1CCNC2(CCC2)C1)C1CCCCCC1 ZINC000666997156 542835156 /nfs/dbraw/zinc/83/51/56/542835156.db2.gz ZKURANIKMVLCSN-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO CCC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)COC1 ZINC000449599751 393918187 /nfs/dbraw/zinc/91/81/87/393918187.db2.gz LQVDXSGBNVQSDX-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H](C2CC2)C2CCC2)C[C@@H](C)O1 ZINC000453072792 394161249 /nfs/dbraw/zinc/16/12/49/394161249.db2.gz AUUCYNWMGBMTOA-RKVPGOIHSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453418143 394240978 /nfs/dbraw/zinc/24/09/78/394240978.db2.gz KLSMHPHSRXGRSZ-UHFFFAOYSA-N 1 3 274.399 3.274 20 0 CGADHO COc1ccc([C@H](C)NCCCC[N@H+](C)C2CC2)c(F)c1 ZINC000453427144 394243706 /nfs/dbraw/zinc/24/37/06/394243706.db2.gz ONEZAOARNJELBA-ZDUSSCGKSA-N 1 3 294.414 3.359 20 0 CGADHO COc1ccc([C@H](C)NCCCC[N@@H+](C)C2CC2)c(F)c1 ZINC000453427144 394243711 /nfs/dbraw/zinc/24/37/11/394243711.db2.gz ONEZAOARNJELBA-ZDUSSCGKSA-N 1 3 294.414 3.359 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000453451694 394247352 /nfs/dbraw/zinc/24/73/52/394247352.db2.gz RQNAYYKPNCGFGZ-LVQVYYBASA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000453451694 394247354 /nfs/dbraw/zinc/24/73/54/394247354.db2.gz RQNAYYKPNCGFGZ-LVQVYYBASA-N 1 3 250.430 3.028 20 0 CGADHO C[N@H+](CCCCNCc1coc(-c2ccccc2)n1)C1CC1 ZINC000453601060 394254825 /nfs/dbraw/zinc/25/48/25/394254825.db2.gz TZEIWQCGSGVVGA-UHFFFAOYSA-N 1 3 299.418 3.306 20 0 CGADHO C[N@@H+](CCCCNCc1coc(-c2ccccc2)n1)C1CC1 ZINC000453601060 394254828 /nfs/dbraw/zinc/25/48/28/394254828.db2.gz TZEIWQCGSGVVGA-UHFFFAOYSA-N 1 3 299.418 3.306 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000668579902 543029650 /nfs/dbraw/zinc/02/96/50/543029650.db2.gz GTNPKZHEJSUEKO-VKJFTORMSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000109119963 397653666 /nfs/dbraw/zinc/65/36/66/397653666.db2.gz IFXHWACCFBICPY-FVQBIDKESA-N 1 3 266.388 3.052 20 0 CGADHO CC[C@@H]1CN(Cc2c(OC)ccc3ccccc32)CC[C@H]1[NH3+] ZINC000387608340 397690289 /nfs/dbraw/zinc/69/02/89/397690289.db2.gz XRIAYCHREZGTET-RDTXWAMCSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000677240018 543441259 /nfs/dbraw/zinc/44/12/59/543441259.db2.gz CZQIODJPPJQDOT-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240018 543441260 /nfs/dbraw/zinc/44/12/60/543441260.db2.gz CZQIODJPPJQDOT-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240018 543441263 /nfs/dbraw/zinc/44/12/63/543441263.db2.gz CZQIODJPPJQDOT-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)CC(C)C ZINC000419255217 286011885 /nfs/dbraw/zinc/01/18/85/286011885.db2.gz YGWGMRLXJDZKRS-JZXOWHBKSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)CC(C)C ZINC000419255217 286011886 /nfs/dbraw/zinc/01/18/86/286011886.db2.gz YGWGMRLXJDZKRS-JZXOWHBKSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255217 286011887 /nfs/dbraw/zinc/01/18/87/286011887.db2.gz YGWGMRLXJDZKRS-JZXOWHBKSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678271095 543506766 /nfs/dbraw/zinc/50/67/66/543506766.db2.gz NIVDKZONNVRNNV-CVEARBPZSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678271095 543506769 /nfs/dbraw/zinc/50/67/69/543506769.db2.gz NIVDKZONNVRNNV-CVEARBPZSA-N 1 3 290.451 3.247 20 0 CGADHO Cc1ccc(CCNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000678773547 543556645 /nfs/dbraw/zinc/55/66/45/543556645.db2.gz OZMKALIIEXMTOJ-UHFFFAOYSA-N 1 3 272.436 3.002 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC000678926385 543572412 /nfs/dbraw/zinc/57/24/12/543572412.db2.gz AZJLNGULCMCOLX-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC000678926385 543572415 /nfs/dbraw/zinc/57/24/15/543572415.db2.gz AZJLNGULCMCOLX-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO COCC1(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CCC1 ZINC000361333996 292249171 /nfs/dbraw/zinc/24/91/71/292249171.db2.gz DCKPDPVMGNSBBK-CVEARBPZSA-N 1 3 294.483 3.046 20 0 CGADHO COCCC1(C[NH2+]C[C@@H](C)CN2CCCC2)CCCCC1 ZINC000189053260 292306367 /nfs/dbraw/zinc/30/63/67/292306367.db2.gz SNMRLSMSZFHKBJ-QGZVFWFLSA-N 1 3 296.499 3.295 20 0 CGADHO CCOc1ccccc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423284812 286581720 /nfs/dbraw/zinc/58/17/20/286581720.db2.gz YOAACYAGQAFXDM-SQWLQELKSA-N 1 3 276.424 3.253 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](C)C2 ZINC000423394343 292368616 /nfs/dbraw/zinc/36/86/16/292368616.db2.gz RHQXZPRRDLCOFW-MKVSYHDVSA-N 1 3 258.409 3.088 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000423090599 298392047 /nfs/dbraw/zinc/39/20/47/298392047.db2.gz VTLNEXOVAHABHB-BDAKNGLRSA-N 1 3 295.374 3.330 20 0 CGADHO COc1cccc([C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000079436819 287056908 /nfs/dbraw/zinc/05/69/08/287056908.db2.gz GXQLLHKPHNIPGT-HUUCEWRRSA-N 1 3 276.424 3.030 20 0 CGADHO COc1cccc([C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000079436819 287056909 /nfs/dbraw/zinc/05/69/09/287056909.db2.gz GXQLLHKPHNIPGT-HUUCEWRRSA-N 1 3 276.424 3.030 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)CN1CCCC1 ZINC000079979202 287062031 /nfs/dbraw/zinc/06/20/31/287062031.db2.gz GFBPDHKPRKJLFV-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000086507837 165184137 /nfs/dbraw/zinc/18/41/37/165184137.db2.gz CXDAGLFDTUUQOD-OLZOCXBDSA-N 1 3 269.458 3.304 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000089147644 165198867 /nfs/dbraw/zinc/19/88/67/165198867.db2.gz SLHHBHWFODUDOV-ZKYQVNSYSA-N 1 3 252.789 3.118 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000089147508 165199539 /nfs/dbraw/zinc/19/95/39/165199539.db2.gz ODXXEABSMFKXOG-BXUZGUMPSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccc(Cl)cc1Cl ZINC000089147508 165199542 /nfs/dbraw/zinc/19/95/42/165199542.db2.gz ODXXEABSMFKXOG-BXUZGUMPSA-N 1 3 287.234 3.253 20 0 CGADHO CCCC[C@H](COC)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585994 287103095 /nfs/dbraw/zinc/10/30/95/287103095.db2.gz LMAXYEKGPNCFIN-DLBZAZTESA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@H](COC)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585994 287103097 /nfs/dbraw/zinc/10/30/97/287103097.db2.gz LMAXYEKGPNCFIN-DLBZAZTESA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@H](COC)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000090585994 287103100 /nfs/dbraw/zinc/10/31/00/287103100.db2.gz LMAXYEKGPNCFIN-DLBZAZTESA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ncccc2C)CC1 ZINC000093159553 165325127 /nfs/dbraw/zinc/32/51/27/165325127.db2.gz YRNISKHGNZOHCO-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ncccc2C)CC1 ZINC000093159553 165325128 /nfs/dbraw/zinc/32/51/28/165325128.db2.gz YRNISKHGNZOHCO-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO C1=CC[C@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000093683423 165335406 /nfs/dbraw/zinc/33/54/06/165335406.db2.gz IOSKXMLOJTWTDY-DLBZAZTESA-N 1 3 262.441 3.151 20 0 CGADHO C1=CC[C@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000093683423 165335409 /nfs/dbraw/zinc/33/54/09/165335409.db2.gz IOSKXMLOJTWTDY-DLBZAZTESA-N 1 3 262.441 3.151 20 0 CGADHO CC1CC[NH+](CCCN[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422807 165350427 /nfs/dbraw/zinc/35/04/27/165350427.db2.gz HWWCDXUBHDWQEO-OAHLLOKOSA-N 1 3 282.472 3.044 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(C2CC2)cc1 ZINC000094522147 165353063 /nfs/dbraw/zinc/35/30/63/165353063.db2.gz UDTJTZCRBBYJMJ-QGZVFWFLSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](C[NH3+])C1 ZINC000050245169 287133413 /nfs/dbraw/zinc/13/34/13/287133413.db2.gz NRRPSGBCPCNJRP-WDEREUQCSA-N 1 3 272.314 3.047 20 0 CGADHO C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCCC1 ZINC000122390425 287209255 /nfs/dbraw/zinc/20/92/55/287209255.db2.gz KOEBLKNBSAKCBM-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO C[NH+]1CCC(CCNCc2cccc(Cl)c2F)CC1 ZINC000125141989 287240503 /nfs/dbraw/zinc/24/05/03/287240503.db2.gz JPMVLLPATCNDIY-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCC1CC[NH+](C)CC1 ZINC000126370343 287262903 /nfs/dbraw/zinc/26/29/03/287262903.db2.gz BTSZLTQGAKSPRD-GFCCVEGCSA-N 1 3 296.842 3.341 20 0 CGADHO CC[C@H]([NH2+]C1CCNCC1)c1cccc(Cl)c1 ZINC000038040900 174041316 /nfs/dbraw/zinc/04/13/16/174041316.db2.gz GGAWZFGUBLJTGQ-AWEZNQCLSA-N 1 3 252.789 3.133 20 0 CGADHO CC(C)Oc1cccc(C[NH2+]CC(C)(C)CN(C)C)c1 ZINC000040639984 174364034 /nfs/dbraw/zinc/36/40/34/174364034.db2.gz GTSOGEJQVDHKCO-UHFFFAOYSA-N 1 3 278.440 3.151 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1cccc3ccccc31)C2 ZINC000314418948 416537126 /nfs/dbraw/zinc/53/71/26/416537126.db2.gz VRWRJPAXSSMBCZ-HKUYNNGSSA-N 1 3 280.415 3.401 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC000314418948 416537130 /nfs/dbraw/zinc/53/71/30/416537130.db2.gz VRWRJPAXSSMBCZ-HKUYNNGSSA-N 1 3 280.415 3.401 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCOCc2ccccc2)[C@@H]1CCN ZINC000404411885 416553665 /nfs/dbraw/zinc/55/36/65/416553665.db2.gz YIZAFGAFBCOAOS-SJLPKXTDSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@@H]1CCN ZINC000404411885 416553667 /nfs/dbraw/zinc/55/36/67/416553667.db2.gz YIZAFGAFBCOAOS-SJLPKXTDSA-N 1 3 290.451 3.043 20 0 CGADHO c1cc(CN2CC=CCC2)cc(C[N@H+]2CC=CCC2)c1 ZINC000679321535 543617489 /nfs/dbraw/zinc/61/74/89/543617489.db2.gz HGUYQKQBQXFSTE-UHFFFAOYSA-N 1 3 268.404 3.210 20 0 CGADHO c1cc(CN2CC=CCC2)cc(C[N@@H+]2CC=CCC2)c1 ZINC000679321535 543617490 /nfs/dbraw/zinc/61/74/90/543617490.db2.gz HGUYQKQBQXFSTE-UHFFFAOYSA-N 1 3 268.404 3.210 20 0 CGADHO CCc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000130653316 287360439 /nfs/dbraw/zinc/36/04/39/287360439.db2.gz BHTBRNVKPHAAFI-OAHLLOKOSA-N 1 3 278.440 3.444 20 0 CGADHO CCc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000130653316 287360441 /nfs/dbraw/zinc/36/04/41/287360441.db2.gz BHTBRNVKPHAAFI-OAHLLOKOSA-N 1 3 278.440 3.444 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000682075807 543822697 /nfs/dbraw/zinc/82/26/97/543822697.db2.gz ZQEQSROKMXYEQH-MAUKXSAKSA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000682075807 543822699 /nfs/dbraw/zinc/82/26/99/543822699.db2.gz ZQEQSROKMXYEQH-MAUKXSAKSA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000682075807 543822701 /nfs/dbraw/zinc/82/27/01/543822701.db2.gz ZQEQSROKMXYEQH-MAUKXSAKSA-N 1 3 270.420 3.092 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078242 543823988 /nfs/dbraw/zinc/82/39/88/543823988.db2.gz WELSQXJKFDZYBL-KBAYOESNSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078242 543823990 /nfs/dbraw/zinc/82/39/90/543823990.db2.gz WELSQXJKFDZYBL-KBAYOESNSA-N 1 3 270.420 3.090 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000685663920 544094160 /nfs/dbraw/zinc/09/41/60/544094160.db2.gz KSXXBAXRXBMZIU-KLZNWCGWSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000685663920 544094162 /nfs/dbraw/zinc/09/41/62/544094162.db2.gz KSXXBAXRXBMZIU-KLZNWCGWSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000650741377 418935929 /nfs/dbraw/zinc/93/59/29/418935929.db2.gz CHLRRTFDUWFNIP-XLNGHYISSA-N 1 3 274.452 3.359 20 0 CGADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1ccoc1 ZINC000658354616 418948717 /nfs/dbraw/zinc/94/87/17/418948717.db2.gz DTIZDAROOOUWHN-CYBMUJFWSA-N 1 3 262.397 3.052 20 0 CGADHO CO[C@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943355 419040206 /nfs/dbraw/zinc/04/02/06/419040206.db2.gz BLOCZPWNUBHBAY-QZTJIDSGSA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659838139 419005993 /nfs/dbraw/zinc/00/59/93/419005993.db2.gz KFJKOPKUCGYOQY-INIZCTEOSA-N 1 3 272.436 3.133 20 0 CGADHO Cc1cc(C)cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665245667 419091330 /nfs/dbraw/zinc/09/13/30/419091330.db2.gz OXLGMJVVJXNBLT-FGTMMUONSA-N 1 3 272.436 3.314 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(F)cc1 ZINC000665250343 419091694 /nfs/dbraw/zinc/09/16/94/419091694.db2.gz OOUVXDYAZAGEQW-CQSZACIVSA-N 1 3 250.361 3.138 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665248987 419092465 /nfs/dbraw/zinc/09/24/65/419092465.db2.gz HKCFAJBYCOUDBD-LBPRGKRZSA-N 1 3 264.438 3.331 20 0 CGADHO C[C@H](CCc1ccco1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665249909 419092630 /nfs/dbraw/zinc/09/26/30/419092630.db2.gz AYGRVXAHYAOWNN-ATZDWAIDSA-N 1 3 298.430 3.336 20 0 CGADHO c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000665252150 419094378 /nfs/dbraw/zinc/09/43/78/419094378.db2.gz IPBXUQPLYFCFAU-AKHDSKFASA-N 1 3 284.447 3.300 20 0 CGADHO C[C@H](NC1CCC2(CC2(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000665274175 419098612 /nfs/dbraw/zinc/09/86/12/419098612.db2.gz LHJGHOXKGYVBER-RJZJGCCBSA-N 1 3 272.383 3.075 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000665280869 419101259 /nfs/dbraw/zinc/10/12/59/419101259.db2.gz NMGRPFDQZWOIDF-SUMWQHHRSA-N 1 3 260.425 3.199 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283367 419102587 /nfs/dbraw/zinc/10/25/87/419102587.db2.gz MQCBDJCBNDSZGB-MYBQVCMBSA-N 1 3 264.457 3.452 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000665283283 419102918 /nfs/dbraw/zinc/10/29/18/419102918.db2.gz KQHZTVOZVGJNMX-XKQJLSEDSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1CN ZINC000665283283 419102920 /nfs/dbraw/zinc/10/29/20/419102920.db2.gz KQHZTVOZVGJNMX-XKQJLSEDSA-N 1 3 258.409 3.089 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000665281197 419103054 /nfs/dbraw/zinc/10/30/54/419103054.db2.gz WVRSGKUFMDGINY-HZPDHXFCSA-N 1 3 264.388 3.240 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283630 419104721 /nfs/dbraw/zinc/10/47/21/419104721.db2.gz RJCKTYOYWVVENC-XMTFNYHQSA-N 1 3 294.483 3.092 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000656197304 419148024 /nfs/dbraw/zinc/14/80/24/419148024.db2.gz YXNWKAAULAGMJX-NDBYEHHHSA-N 1 3 278.362 3.215 20 0 CGADHO CSc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000660542004 419158851 /nfs/dbraw/zinc/15/88/51/419158851.db2.gz MGTQNKTWLOWNPG-XYPWUTKMSA-N 1 3 290.476 3.466 20 0 CGADHO CSc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000660542004 419158854 /nfs/dbraw/zinc/15/88/54/419158854.db2.gz MGTQNKTWLOWNPG-XYPWUTKMSA-N 1 3 290.476 3.466 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662429 419178910 /nfs/dbraw/zinc/17/89/10/419178910.db2.gz KDKMVVDCDSZGLG-HIFRSBDPSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662429 419178913 /nfs/dbraw/zinc/17/89/13/419178913.db2.gz KDKMVVDCDSZGLG-HIFRSBDPSA-N 1 3 274.399 3.086 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082899 419188480 /nfs/dbraw/zinc/18/84/80/419188480.db2.gz QWILRLCLAGBUKU-HIFRSBDPSA-N 1 3 292.854 3.129 20 0 CGADHO CC[N@@H+]1CCC[C@H](CNCc2cc3ccncc3s2)C1 ZINC000657337044 419253328 /nfs/dbraw/zinc/25/33/28/419253328.db2.gz GJKUTDJGZWFAAU-CYBMUJFWSA-N 1 3 289.448 3.118 20 0 CGADHO CC[N@H+]1CCC[C@H](CNCc2cc3ccncc3s2)C1 ZINC000657337044 419253330 /nfs/dbraw/zinc/25/33/30/419253330.db2.gz GJKUTDJGZWFAAU-CYBMUJFWSA-N 1 3 289.448 3.118 20 0 CGADHO Cc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1F ZINC000656785147 419218123 /nfs/dbraw/zinc/21/81/23/419218123.db2.gz JLOSLMPEUVGMKI-QGZVFWFLSA-N 1 3 290.426 3.346 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613095 419313542 /nfs/dbraw/zinc/31/35/42/419313542.db2.gz VZLLUGZOBXNFRW-CRAIPNDOSA-N 1 3 287.451 3.072 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661998297 419321579 /nfs/dbraw/zinc/32/15/79/419321579.db2.gz IWGWLYUQVORMCK-WLYUNCDWSA-N 1 3 258.425 3.225 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CN(CCC1CC[NH2+]CC1)CC3 ZINC000662305623 419387860 /nfs/dbraw/zinc/38/78/60/419387860.db2.gz IOQCXMHJVWPBDK-UHFFFAOYSA-N 1 3 297.446 3.224 20 0 CGADHO C[N@H+](Cc1cccc(C(C)(C)C)c1)C1CCNCC1 ZINC000662237292 419370462 /nfs/dbraw/zinc/37/04/62/419370462.db2.gz HXRZGSHVBFLYGN-UHFFFAOYSA-N 1 3 260.425 3.168 20 0 CGADHO C[N@@H+](Cc1cccc(C(C)(C)C)c1)C1CCNCC1 ZINC000662237292 419370464 /nfs/dbraw/zinc/37/04/64/419370464.db2.gz HXRZGSHVBFLYGN-UHFFFAOYSA-N 1 3 260.425 3.168 20 0 CGADHO CC(C)[N@H+](Cc1cccc2c1CCNC2)C1CCCC1 ZINC000662253076 419372586 /nfs/dbraw/zinc/37/25/86/419372586.db2.gz UNTZYBXZBXLZPY-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO CC(C)[N@@H+](Cc1cccc2c1CCNC2)C1CCCC1 ZINC000662253076 419372590 /nfs/dbraw/zinc/37/25/90/419372590.db2.gz UNTZYBXZBXLZPY-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657826466 419374840 /nfs/dbraw/zinc/37/48/40/419374840.db2.gz GVOHGLMZGUFQRY-INIZCTEOSA-N 1 3 278.465 3.124 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662276881 419382887 /nfs/dbraw/zinc/38/28/87/419382887.db2.gz MOGIEOAECDJGJZ-RDJZCZTQSA-N 1 3 272.436 3.084 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCC[C@@H]1CCc2ccccc21 ZINC000662276881 419382892 /nfs/dbraw/zinc/38/28/92/419382892.db2.gz MOGIEOAECDJGJZ-RDJZCZTQSA-N 1 3 272.436 3.084 20 0 CGADHO CC(C)[N@@H+](Cc1cccc2c1CCNC2)CC1CCC1 ZINC000662283946 419386200 /nfs/dbraw/zinc/38/62/00/419386200.db2.gz WGZHJZTUWFDECJ-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)[N@H+](Cc1cccc2c1CCNC2)CC1CCC1 ZINC000662283946 419386204 /nfs/dbraw/zinc/38/62/04/419386204.db2.gz WGZHJZTUWFDECJ-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cc2ccncc2s1 ZINC000657939222 419455282 /nfs/dbraw/zinc/45/52/82/419455282.db2.gz VWQNRYPJKQZIHC-LBPRGKRZSA-N 1 3 287.432 3.209 20 0 CGADHO CCOC1CCC([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000657972986 419471674 /nfs/dbraw/zinc/47/16/74/419471674.db2.gz NLIJZPNKHNVESC-GTPINHCMSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1ccc(C(F)(F)F)cc1 ZINC000663498957 419636236 /nfs/dbraw/zinc/63/62/36/419636236.db2.gz WCKJBGRLMLHLFX-CYBMUJFWSA-N 1 3 274.330 3.168 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000663502660 419636634 /nfs/dbraw/zinc/63/66/34/419636634.db2.gz JNHFOZRSNZDXJQ-ZACQAIPSSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000663502660 419636641 /nfs/dbraw/zinc/63/66/41/419636641.db2.gz JNHFOZRSNZDXJQ-ZACQAIPSSA-N 1 3 260.425 3.286 20 0 CGADHO C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663466362 419617786 /nfs/dbraw/zinc/61/77/86/419617786.db2.gz RSQJJBPFDLRUAH-IAGOWNOFSA-N 1 3 276.468 3.421 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466790 419622655 /nfs/dbraw/zinc/62/26/55/419622655.db2.gz AFWJYQKMYLASEY-GDBMZVCRSA-N 1 3 292.492 3.391 20 0 CGADHO c1cc2c(ccnc2N2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC000663723487 419691995 /nfs/dbraw/zinc/69/19/95/419691995.db2.gz ZCUWCLOUNFUGKF-UHFFFAOYSA-N 1 3 284.407 3.018 20 0 CGADHO C[NH2+]C[C@H](C)N[C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000663511927 419641534 /nfs/dbraw/zinc/64/15/34/419641534.db2.gz ZKCIZYXFDHIMPT-XIRDDKMYSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658179084 419646048 /nfs/dbraw/zinc/64/60/48/419646048.db2.gz DXEIDGJUUCHUPE-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658179084 419646057 /nfs/dbraw/zinc/64/60/57/419646057.db2.gz DXEIDGJUUCHUPE-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO C1=C(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000184574841 263132681 /nfs/dbraw/zinc/13/26/81/263132681.db2.gz AOUNWJNLVUGXDI-IAGOWNOFSA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000184574841 263132682 /nfs/dbraw/zinc/13/26/82/263132682.db2.gz AOUNWJNLVUGXDI-IAGOWNOFSA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000184574841 263132683 /nfs/dbraw/zinc/13/26/83/263132683.db2.gz AOUNWJNLVUGXDI-IAGOWNOFSA-N 1 3 262.441 3.483 20 0 CGADHO Cc1ccccc1CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211336485 270085075 /nfs/dbraw/zinc/08/50/75/270085075.db2.gz SFWGMLIKGTXJFT-UHFFFAOYSA-N 1 3 280.415 3.273 20 0 CGADHO c1cc(N2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000324782114 270094377 /nfs/dbraw/zinc/09/43/77/270094377.db2.gz GYSYIOKSJUPWOJ-GOSISDBHSA-N 1 3 285.435 3.219 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000520229336 270098665 /nfs/dbraw/zinc/09/86/65/270098665.db2.gz MANUOBPSJQRFIJ-INIZCTEOSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](CN)C2)cc1 ZINC000520229336 270098666 /nfs/dbraw/zinc/09/86/66/270098666.db2.gz MANUOBPSJQRFIJ-INIZCTEOSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H](CN)C2)cc1 ZINC000520229336 270098667 /nfs/dbraw/zinc/09/86/67/270098667.db2.gz MANUOBPSJQRFIJ-INIZCTEOSA-N 1 3 260.425 3.023 20 0 CGADHO CCc1c(C)[nH+]c2ccccc2c1NCC1=CCN(C)CC1 ZINC000522042609 270104033 /nfs/dbraw/zinc/10/40/33/270104033.db2.gz VSPMPRZAYAPIPR-UHFFFAOYSA-N 1 3 295.430 3.201 20 0 CGADHO c1ccc2c(c1)CCC(C[NH2+][C@@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000527733380 270133079 /nfs/dbraw/zinc/13/30/79/270133079.db2.gz GHKYEINWGXPOTP-WOJBJXKFSA-N 1 3 298.474 3.398 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)[C@H]1CC12CC2 ZINC000527844393 270139120 /nfs/dbraw/zinc/13/91/20/270139120.db2.gz BMTDSQGOLJJOGM-XUWVNRHRSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529546103 270183737 /nfs/dbraw/zinc/18/37/37/270183737.db2.gz UDTHYCZIZVUNLR-ZIAGYGMSSA-N 1 3 288.426 3.378 20 0 CGADHO CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000530217352 270196103 /nfs/dbraw/zinc/19/61/03/270196103.db2.gz GQBWOAYSZNLNRU-ZACQAIPSSA-N 1 3 260.425 3.257 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]CCCN2CCCC2)C2CC2)c1 ZINC000531689016 270208910 /nfs/dbraw/zinc/20/89/10/270208910.db2.gz DFHLLWYSTHMELW-LJQANCHMSA-N 1 3 286.463 3.392 20 0 CGADHO CCN(CC(C)C[N@H+](CC)CC1CC1)CC1CC1 ZINC000533304547 270222973 /nfs/dbraw/zinc/22/29/73/270222973.db2.gz AXYKMXMSUOPFRH-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC(C)C[N@@H+](CC)CC1CC1)CC1CC1 ZINC000533304547 270222974 /nfs/dbraw/zinc/22/29/74/270222974.db2.gz AXYKMXMSUOPFRH-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000516758254 274151095 /nfs/dbraw/zinc/15/10/95/274151095.db2.gz WRHRGPYAHRBTMC-KEYYUXOJSA-N 1 3 288.435 3.145 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000516758254 274151097 /nfs/dbraw/zinc/15/10/97/274151097.db2.gz WRHRGPYAHRBTMC-KEYYUXOJSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@@H](C[NH3+])N[C@@H]1CCCc2c3ccccc3sc21 ZINC000423379368 274217019 /nfs/dbraw/zinc/21/70/19/274217019.db2.gz XJZSXFUHXMERNE-GXFFZTMASA-N 1 3 260.406 3.216 20 0 CGADHO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C1CNC1 ZINC000422833806 274249796 /nfs/dbraw/zinc/24/97/96/274249796.db2.gz GZGHBAFPUOFHIU-APWZRJJASA-N 1 3 294.442 3.210 20 0 CGADHO C[C@@H](NC[C@H](Cc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422833806 274249801 /nfs/dbraw/zinc/24/98/01/274249801.db2.gz GZGHBAFPUOFHIU-APWZRJJASA-N 1 3 294.442 3.210 20 0 CGADHO c1ccc(C2CCC(CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000414736587 275066905 /nfs/dbraw/zinc/06/69/05/275066905.db2.gz MWXCPODYWKJXCS-XPYVTTBUSA-N 1 3 284.447 3.112 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414950493 275565100 /nfs/dbraw/zinc/56/51/00/275565100.db2.gz OQLLUBUNBRHTJI-QXSJWSMHSA-N 1 3 252.446 3.321 20 0 CGADHO CC(F)(F)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423132643 275800483 /nfs/dbraw/zinc/80/04/83/275800483.db2.gz JPPQXEIAHQQOAO-JSGCOSHPSA-N 1 3 268.351 3.015 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2CCCc3cc(N)ccc32)CC1 ZINC000414925539 276004916 /nfs/dbraw/zinc/00/49/16/276004916.db2.gz JUDAZPPGHHACQJ-SFHVURJKSA-N 1 3 287.451 3.110 20 0 CGADHO CC(CN1CCC[C@H](C)C1)C[N@@H+]1CCC[C@H](C)C1 ZINC000357745359 276093373 /nfs/dbraw/zinc/09/33/73/276093373.db2.gz RZRLYAOAKPESKI-GJZGRUSLSA-N 1 3 252.446 3.086 20 0 CGADHO CC(CN1CCC[C@H](C)C1)C[N@H+]1CCC[C@H](C)C1 ZINC000357745359 276093375 /nfs/dbraw/zinc/09/33/75/276093375.db2.gz RZRLYAOAKPESKI-GJZGRUSLSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000093692886 276106393 /nfs/dbraw/zinc/10/63/93/276106393.db2.gz PAWDRWJKMMMPTF-HOTGVXAUSA-N 1 3 250.430 3.006 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093692886 276106394 /nfs/dbraw/zinc/10/63/94/276106394.db2.gz PAWDRWJKMMMPTF-HOTGVXAUSA-N 1 3 250.430 3.006 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCC(C(F)(F)F)CC1 ZINC000414930226 276106601 /nfs/dbraw/zinc/10/66/01/276106601.db2.gz PPMWBIXDINYEFE-WXRRBKDZSA-N 1 3 292.389 3.475 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757927 276109462 /nfs/dbraw/zinc/10/94/62/276109462.db2.gz PAWDRWJKMMMPTF-HZPDHXFCSA-N 1 3 250.430 3.006 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757927 276109463 /nfs/dbraw/zinc/10/94/63/276109463.db2.gz PAWDRWJKMMMPTF-HZPDHXFCSA-N 1 3 250.430 3.006 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCN(C)c3ccccc32)CC1 ZINC000334579891 276151962 /nfs/dbraw/zinc/15/19/62/276151962.db2.gz OUMSKZLMESVIPN-KRWDZBQOSA-N 1 3 287.451 3.032 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423160129 276337229 /nfs/dbraw/zinc/33/72/29/276337229.db2.gz GYZKPNCVJSYULL-YLFCFFPRSA-N 1 3 274.408 3.069 20 0 CGADHO COC1([C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421814089 277189776 /nfs/dbraw/zinc/18/97/76/277189776.db2.gz INNUBZUJBZRHQO-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)CCCC1 ZINC000421814089 277189774 /nfs/dbraw/zinc/18/97/74/277189774.db2.gz INNUBZUJBZRHQO-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000421814089 277189778 /nfs/dbraw/zinc/18/97/78/277189778.db2.gz INNUBZUJBZRHQO-JKSUJKDBSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)C1CCCCC1 ZINC000423020893 277302974 /nfs/dbraw/zinc/30/29/74/277302974.db2.gz DCBFSRLHKOJBPN-DZGCQCFKSA-N 1 3 252.446 3.310 20 0 CGADHO CC(C)CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000429057936 277351016 /nfs/dbraw/zinc/35/10/16/277351016.db2.gz BYNQTXPPRJBRQU-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@@H]([C@H](C)[NH2+]C[C@H]1CCCNC1)C1CCCCC1 ZINC000423207809 277645955 /nfs/dbraw/zinc/64/59/55/277645955.db2.gz HHDNHQXSZCOTQZ-KKUMJFAQSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423388253 277886457 /nfs/dbraw/zinc/88/64/57/277886457.db2.gz IKXUAIIBOCOLDT-NJAFHUGGSA-N 1 3 274.452 3.231 20 0 CGADHO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000261573478 278048938 /nfs/dbraw/zinc/04/89/38/278048938.db2.gz AQXSORRWKNHVGF-GRDNDAEWSA-N 1 3 260.425 3.459 20 0 CGADHO Cc1ccc2cc(CN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)ccc2n1 ZINC000397302747 288022666 /nfs/dbraw/zinc/02/26/66/288022666.db2.gz GRLHRRLHROYMSG-XUWXXGDYSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423029719 278216946 /nfs/dbraw/zinc/21/69/46/278216946.db2.gz VFFLBZJWIZADPU-LTIDMASMSA-N 1 3 296.499 3.481 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCc2c1c(F)ccc2F ZINC000423442637 278227481 /nfs/dbraw/zinc/22/74/81/278227481.db2.gz VDNUCQPDOPXEGE-IINYFYTJSA-N 1 3 268.351 3.059 20 0 CGADHO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000311163063 278297340 /nfs/dbraw/zinc/29/73/40/278297340.db2.gz MWLIJHKXHMSDQD-UONOGXRCSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1CCN ZINC000352540137 278298114 /nfs/dbraw/zinc/29/81/14/278298114.db2.gz HNZRSYZOGUGHNL-RDJZCZTQSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1CCN ZINC000352540137 278298116 /nfs/dbraw/zinc/29/81/16/278298116.db2.gz HNZRSYZOGUGHNL-RDJZCZTQSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1nccc2ccccc21 ZINC000290033772 278341255 /nfs/dbraw/zinc/34/12/55/278341255.db2.gz BCJBZJPNTNIQLO-CQSZACIVSA-N 1 3 281.403 3.147 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1nccc2ccccc21 ZINC000290033772 278341257 /nfs/dbraw/zinc/34/12/57/278341257.db2.gz BCJBZJPNTNIQLO-CQSZACIVSA-N 1 3 281.403 3.147 20 0 CGADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CCCCC1 ZINC000423328221 288050278 /nfs/dbraw/zinc/05/02/78/288050278.db2.gz LVYDGHYJFAFFDI-JKSUJKDBSA-N 1 3 252.446 3.325 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OC)c1 ZINC000424370171 288066667 /nfs/dbraw/zinc/06/66/67/288066667.db2.gz DFMNSOHDWFVRGM-OWCLPIDISA-N 1 3 262.397 3.006 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000359028757 288079725 /nfs/dbraw/zinc/07/97/25/288079725.db2.gz KBNKXRYRKOPTLY-CSMYWGQOSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000359028757 288079728 /nfs/dbraw/zinc/07/97/28/288079728.db2.gz KBNKXRYRKOPTLY-CSMYWGQOSA-N 1 3 276.399 3.133 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000508193375 279094982 /nfs/dbraw/zinc/09/49/82/279094982.db2.gz IMXHTGYJUKKYKO-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000508193375 279094985 /nfs/dbraw/zinc/09/49/85/279094985.db2.gz IMXHTGYJUKKYKO-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000487279933 279122942 /nfs/dbraw/zinc/12/29/42/279122942.db2.gz WVWMPVCGXPKXPZ-OWCLPIDISA-N 1 3 284.513 3.230 20 0 CGADHO CC(C)C[C@H]([NH2+]C1CCNCC1)c1cccs1 ZINC000422940762 279192289 /nfs/dbraw/zinc/19/22/89/279192289.db2.gz IYCFUHOWIXUQMG-ZDUSSCGKSA-N 1 3 252.427 3.177 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000311789554 279196277 /nfs/dbraw/zinc/19/62/77/279196277.db2.gz KBDMYVWMTUBSEW-XIRDDKMYSA-N 1 3 260.425 3.361 20 0 CGADHO CC(C)C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000311789554 279196278 /nfs/dbraw/zinc/19/62/78/279196278.db2.gz KBDMYVWMTUBSEW-XIRDDKMYSA-N 1 3 260.425 3.361 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168927 288133896 /nfs/dbraw/zinc/13/38/96/288133896.db2.gz UTCBYNDHNVWCIS-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168927 288133897 /nfs/dbraw/zinc/13/38/97/288133897.db2.gz UTCBYNDHNVWCIS-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000189094818 288160474 /nfs/dbraw/zinc/16/04/74/288160474.db2.gz JKIFDTIKWMFLKF-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248391969 280223474 /nfs/dbraw/zinc/22/34/74/280223474.db2.gz CPORKUXKBBVSLK-ZNMIVQPWSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000376675272 280329456 /nfs/dbraw/zinc/32/94/56/280329456.db2.gz XYSZENXFSNATSV-NNXHMXCWSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)CC3 ZINC000333156839 281037084 /nfs/dbraw/zinc/03/70/84/281037084.db2.gz NDFANRZPQLZHBL-SOUVJXGZSA-N 1 3 297.446 3.193 20 0 CGADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@H]1CCCC12CCCCC2 ZINC000530214141 288300825 /nfs/dbraw/zinc/30/08/25/288300825.db2.gz BHHCHZKFVAIFKN-GJZGRUSLSA-N 1 3 262.441 3.364 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530179748 288296301 /nfs/dbraw/zinc/29/63/01/288296301.db2.gz WQMQNKYZMZKDOW-BZSNNMDCSA-N 1 3 284.447 3.272 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@H](C)C[NH+]1CCCC1 ZINC000481318188 281270826 /nfs/dbraw/zinc/27/08/26/281270826.db2.gz GBDHJNYMCHCBDY-KSSFIOAISA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)CN1CCCC1 ZINC000481318188 281270827 /nfs/dbraw/zinc/27/08/27/281270827.db2.gz GBDHJNYMCHCBDY-KSSFIOAISA-N 1 3 272.436 3.304 20 0 CGADHO CCc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)s1 ZINC000530548806 288309424 /nfs/dbraw/zinc/30/94/24/288309424.db2.gz MEJMQIFOOWZCJD-UHFFFAOYSA-N 1 3 278.465 3.371 20 0 CGADHO CCc1ccc(C[N@H+]2CCCC23CCN(C)CC3)s1 ZINC000530548806 288309426 /nfs/dbraw/zinc/30/94/26/288309426.db2.gz MEJMQIFOOWZCJD-UHFFFAOYSA-N 1 3 278.465 3.371 20 0 CGADHO CCc1ccc(CN2CCCC23CC[NH+](C)CC3)s1 ZINC000530548806 288309429 /nfs/dbraw/zinc/30/94/29/288309429.db2.gz MEJMQIFOOWZCJD-UHFFFAOYSA-N 1 3 278.465 3.371 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC1 ZINC000532442752 288360999 /nfs/dbraw/zinc/36/09/99/288360999.db2.gz KKFYOSUFPITAEH-GDBMZVCRSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000423059862 281894000 /nfs/dbraw/zinc/89/40/00/281894000.db2.gz MYKRFGVSMITWGT-IPYPFGDCSA-N 1 3 275.440 3.468 20 0 CGADHO CCCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000535067666 288437968 /nfs/dbraw/zinc/43/79/68/288437968.db2.gz YRNATWFAGHJVAU-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO Cc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1 ZINC000548486944 289008714 /nfs/dbraw/zinc/00/87/14/289008714.db2.gz HBXCWBAFZHAESH-UHFFFAOYSA-N 1 3 289.467 3.251 20 0 CGADHO Cc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1 ZINC000548486944 289008716 /nfs/dbraw/zinc/00/87/16/289008716.db2.gz HBXCWBAFZHAESH-UHFFFAOYSA-N 1 3 289.467 3.251 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000562959767 289747007 /nfs/dbraw/zinc/74/70/07/289747007.db2.gz UJVLDOQABGKOGW-LBPRGKRZSA-N 1 3 273.424 3.080 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422814712 295267457 /nfs/dbraw/zinc/26/74/57/295267457.db2.gz VYJIJDXLMJMODD-WBVHZDCISA-N 1 3 272.436 3.215 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422894956 295332912 /nfs/dbraw/zinc/33/29/12/295332912.db2.gz DRHZLLOWMHHEMT-HOTGVXAUSA-N 1 3 276.399 3.107 20 0 CGADHO CCC[C@@H](CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280090 335181928 /nfs/dbraw/zinc/18/19/28/335181928.db2.gz RNGUKTWPTVZLRN-ROUUACIJSA-N 1 3 272.436 3.256 20 0 CGADHO Cc1cc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC000423204756 301421030 /nfs/dbraw/zinc/42/10/30/301421030.db2.gz DSHNGFWSICHGEM-CXAGYDPISA-N 1 3 276.399 3.174 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000422712774 301539179 /nfs/dbraw/zinc/53/91/79/301539179.db2.gz OREGSQMRCRZQSP-NVXWUHKLSA-N 1 3 274.452 3.250 20 0 CGADHO Cc1cncc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000184493018 302383148 /nfs/dbraw/zinc/38/31/48/302383148.db2.gz VUVFRKVJCWPESL-HNNXBMFYSA-N 1 3 275.440 3.163 20 0 CGADHO NC1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423521216 303359765 /nfs/dbraw/zinc/35/97/65/303359765.db2.gz GDESUDDDXJVZIE-JSCZNWRVSA-N 1 3 288.479 3.308 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccsc1Br ZINC000388597582 327911809 /nfs/dbraw/zinc/91/18/09/327911809.db2.gz OYRDGUUWENIVEZ-SECBINFHSA-N 1 3 291.258 3.118 20 0 CGADHO CCc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000563944454 322015930 /nfs/dbraw/zinc/01/59/30/322015930.db2.gz KAPCRVZJIKMDIN-XJKSGUPXSA-N 1 3 278.465 3.275 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000564824565 322045320 /nfs/dbraw/zinc/04/53/20/322045320.db2.gz JQGRUSCIVCQFNO-YJBOKZPZSA-N 1 3 290.451 3.089 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000565227067 322068289 /nfs/dbraw/zinc/06/82/89/322068289.db2.gz QTVITKUZQJBJDF-HOTGVXAUSA-N 1 3 258.409 3.011 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NC2(Cc3ccccc3)CCC2)C1 ZINC000565227067 322068291 /nfs/dbraw/zinc/06/82/91/322068291.db2.gz QTVITKUZQJBJDF-HOTGVXAUSA-N 1 3 258.409 3.011 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cnc2ccsc2c1 ZINC000565827599 322092857 /nfs/dbraw/zinc/09/28/57/322092857.db2.gz JJOQJIIHDLDIRO-SCRDCRAPSA-N 1 3 289.448 3.464 20 0 CGADHO C[C@H]([C@H]1CCCNC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000566062632 322102549 /nfs/dbraw/zinc/10/25/49/322102549.db2.gz UWPZBPVUSQXNCL-APWZRJJASA-N 1 3 286.463 3.329 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000566476651 322125480 /nfs/dbraw/zinc/12/54/80/322125480.db2.gz DUQMZCVDUUVRIF-UHFFFAOYSA-N 1 3 285.435 3.378 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566572671 322130270 /nfs/dbraw/zinc/13/02/70/322130270.db2.gz VPVQAHKIVUNLRK-ZWUHOBOKSA-N 1 3 296.842 3.276 20 0 CGADHO Cc1ccc2nccc(NC[C@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000567316631 322158630 /nfs/dbraw/zinc/15/86/30/322158630.db2.gz OIWVMQIUJDEALK-OAHLLOKOSA-N 1 3 283.419 3.107 20 0 CGADHO Cc1ccc2nccc(NC[C@H]3CC[N@H+](C(C)C)C3)c2c1 ZINC000567316631 322158633 /nfs/dbraw/zinc/15/86/33/322158633.db2.gz OIWVMQIUJDEALK-OAHLLOKOSA-N 1 3 283.419 3.107 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000567375399 322160949 /nfs/dbraw/zinc/16/09/49/322160949.db2.gz BUUDDGMJEGYKKE-HZPDHXFCSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCOc1cccc(Cl)c1Cl ZINC000569713663 322255119 /nfs/dbraw/zinc/25/51/19/322255119.db2.gz YWGJQXIZCQRWPI-UWVGGRQHSA-N 1 3 291.222 3.088 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000571394843 322297436 /nfs/dbraw/zinc/29/74/36/322297436.db2.gz POHUOXNHCPBNPY-XKQJLSEDSA-N 1 3 294.389 3.018 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000572014753 322315998 /nfs/dbraw/zinc/31/59/98/322315998.db2.gz AAJMSUKXLGLHNE-KWCYVHTRSA-N 1 3 250.361 3.055 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC000573220474 322376317 /nfs/dbraw/zinc/37/63/17/322376317.db2.gz ASHYTOZCOFVAKI-CVEARBPZSA-N 1 3 276.399 3.008 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1C ZINC000573385823 322385354 /nfs/dbraw/zinc/38/53/54/322385354.db2.gz KEERVZXBOQSLEJ-ARFHVFGLSA-N 1 3 276.424 3.012 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000573505717 322391594 /nfs/dbraw/zinc/39/15/94/322391594.db2.gz DJJJFVZGNHVWRD-MRXNPFEDSA-N 1 3 258.409 3.171 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCOc1cccc2ccccc21 ZINC000573621575 322397734 /nfs/dbraw/zinc/39/77/34/322397734.db2.gz DXFBZQTYADEKRA-NVXWUHKLSA-N 1 3 298.430 3.420 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)[C@@H]1CCCNC1 ZINC000584166832 327054410 /nfs/dbraw/zinc/05/44/10/327054410.db2.gz GEYHWWFRUFFPMX-QKPAOTATSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C2CCC2)CCC1 ZINC000583434683 327362596 /nfs/dbraw/zinc/36/25/96/327362596.db2.gz FVDDXQIMKCHJIK-ZDUSSCGKSA-N 1 3 287.451 3.470 20 0 CGADHO CC1CCC([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000583582259 328621312 /nfs/dbraw/zinc/62/13/12/328621312.db2.gz BEIQWGBCILWQHP-UHFFFAOYSA-N 1 3 260.425 3.417 20 0 CGADHO CC(C)[C@@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000576703599 335237270 /nfs/dbraw/zinc/23/72/70/335237270.db2.gz XYHDUVIESBZLEF-NVXWUHKLSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)[C@@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000576703599 335237271 /nfs/dbraw/zinc/23/72/71/335237271.db2.gz XYHDUVIESBZLEF-NVXWUHKLSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000580563861 335286893 /nfs/dbraw/zinc/28/68/93/335286893.db2.gz FXJNMKZWFNRGKP-KKUMJFAQSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000580563861 335286895 /nfs/dbraw/zinc/28/68/95/335286895.db2.gz FXJNMKZWFNRGKP-KKUMJFAQSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H]1CN(CCCC[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000195250570 336050474 /nfs/dbraw/zinc/05/04/74/336050474.db2.gz MFWLWFUHEJAEOV-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581364078 336061384 /nfs/dbraw/zinc/06/13/84/336061384.db2.gz SNVSCDABGYCZOX-JKSUJKDBSA-N 1 3 264.388 3.051 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581364078 336061386 /nfs/dbraw/zinc/06/13/86/336061386.db2.gz SNVSCDABGYCZOX-JKSUJKDBSA-N 1 3 264.388 3.051 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1C ZINC000581397225 336068146 /nfs/dbraw/zinc/06/81/46/336068146.db2.gz MBIOUYOLWWRBSH-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1C ZINC000581397225 336068147 /nfs/dbraw/zinc/06/81/47/336068147.db2.gz MBIOUYOLWWRBSH-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO CN(CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000382112503 336081898 /nfs/dbraw/zinc/08/18/98/336081898.db2.gz SCPORKNCIXRTME-USXIJHARSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cccc([C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581607941 336111553 /nfs/dbraw/zinc/11/15/53/336111553.db2.gz CXBLEMIKNZSTOT-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCCNC3)c1 ZINC000581607941 336111554 /nfs/dbraw/zinc/11/15/54/336111554.db2.gz CXBLEMIKNZSTOT-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@]3(C2)CCCNC3)c1 ZINC000581607941 336111555 /nfs/dbraw/zinc/11/15/55/336111555.db2.gz CXBLEMIKNZSTOT-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000385851117 336157818 /nfs/dbraw/zinc/15/78/18/336157818.db2.gz PXEVUSFROQOMOO-SSHXOBKSSA-N 1 3 282.497 3.125 20 0 CGADHO COc1cccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423362442 533775506 /nfs/dbraw/zinc/77/55/06/533775506.db2.gz TWRUQORXZDXCKR-ZDUSSCGKSA-N 1 3 282.387 3.149 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@]3(C)CCCOC3)CC2)C1 ZINC000357841688 533859012 /nfs/dbraw/zinc/85/90/12/533859012.db2.gz RBPQAHWEUIILOJ-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@]3(C)CCCOC3)CC2)C1 ZINC000357841688 533859022 /nfs/dbraw/zinc/85/90/22/533859022.db2.gz RBPQAHWEUIILOJ-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423406579 533999309 /nfs/dbraw/zinc/99/93/09/533999309.db2.gz YZZZMLPQBMVFRQ-ZLIFDBKOSA-N 1 3 258.409 3.096 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000423401210 533999442 /nfs/dbraw/zinc/99/94/42/533999442.db2.gz VWQANVRWPOSNCG-DRZSPHRISA-N 1 3 264.438 3.157 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423392231 534007315 /nfs/dbraw/zinc/00/73/15/534007315.db2.gz LMHKPAIFDWZMHZ-DOXZYTNZSA-N 1 3 295.430 3.397 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCCC1 ZINC000359623280 534064353 /nfs/dbraw/zinc/06/43/53/534064353.db2.gz UPNBSPXYHRKCJC-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO c1ccc(CC2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000358345957 534483141 /nfs/dbraw/zinc/48/31/41/534483141.db2.gz QAMVPCOXXJEHBK-ROUUACIJSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(CC2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000358345957 534483149 /nfs/dbraw/zinc/48/31/49/534483149.db2.gz QAMVPCOXXJEHBK-ROUUACIJSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc([C@H](NCCC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000359224359 534501139 /nfs/dbraw/zinc/50/11/39/534501139.db2.gz SIVVYSNOAKROGE-IBGZPJMESA-N 1 3 295.430 3.150 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184131786 520636676 /nfs/dbraw/zinc/63/66/76/520636676.db2.gz VBSDFUMGASVTMO-ZDUSSCGKSA-N 1 3 282.403 3.131 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000093977899 524246812 /nfs/dbraw/zinc/24/68/12/524246812.db2.gz TXHBPYKKRBYRIG-KBAYOESNSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093977899 524246821 /nfs/dbraw/zinc/24/68/21/524246821.db2.gz TXHBPYKKRBYRIG-KBAYOESNSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000093977899 524246825 /nfs/dbraw/zinc/24/68/25/524246825.db2.gz TXHBPYKKRBYRIG-KBAYOESNSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc2ccccc21 ZINC000052062076 524903044 /nfs/dbraw/zinc/90/30/44/524903044.db2.gz SLTSULWZJKGSJM-XJKSGUPXSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110644757 526049544 /nfs/dbraw/zinc/04/95/44/526049544.db2.gz MANDVAMHHLWNSY-NWDGAFQWSA-N 1 3 266.816 3.460 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423286388 527259782 /nfs/dbraw/zinc/25/97/82/527259782.db2.gz GYLDYJUONSXLEO-OCCSQVGLSA-N 1 3 266.816 3.303 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCCc2ccccc2)c2ccccc21 ZINC000157264229 527375931 /nfs/dbraw/zinc/37/59/31/527375931.db2.gz YCZKMDBQQMCTEJ-QZTJIDSGSA-N 1 3 266.388 3.354 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000480671493 528172196 /nfs/dbraw/zinc/17/21/96/528172196.db2.gz NAVSJFNHYYLTRQ-YOEHRIQHSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000480671493 528172202 /nfs/dbraw/zinc/17/22/02/528172202.db2.gz NAVSJFNHYYLTRQ-YOEHRIQHSA-N 1 3 260.425 3.382 20 0 CGADHO CC1CC[NH+](C[C@H]2CCCN(CC3CCC3)C2)CC1 ZINC000173593769 528253886 /nfs/dbraw/zinc/25/38/86/528253886.db2.gz AHDTYIFLQXKDEW-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000173593769 528253892 /nfs/dbraw/zinc/25/38/92/528253892.db2.gz AHDTYIFLQXKDEW-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000173593769 528253896 /nfs/dbraw/zinc/25/38/96/528253896.db2.gz AHDTYIFLQXKDEW-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CCN[C@H](C)C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423386973 528421921 /nfs/dbraw/zinc/42/19/21/528421921.db2.gz SFTKEZFLVREWRE-FRRDWIJNSA-N 1 3 291.464 3.376 20 0 CGADHO CCOc1ccc(Cl)cc1[C@H](C)NCCCC[NH3+] ZINC000423342002 528476050 /nfs/dbraw/zinc/47/60/50/528476050.db2.gz UQLSLJHECJCIOX-NSHDSACASA-N 1 3 270.804 3.128 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423275106 528531166 /nfs/dbraw/zinc/53/11/66/528531166.db2.gz MVEIBFXLRFICNW-YFKTTZPYSA-N 1 3 286.872 3.466 20 0 CGADHO CC(C)[C@@H](NCC[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423222680 528587846 /nfs/dbraw/zinc/58/78/46/528587846.db2.gz CBWLGCIFHXFLNR-SMDDNHRTSA-N 1 3 254.805 3.364 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C[C@@H]1C ZINC000414933322 528708430 /nfs/dbraw/zinc/70/84/30/528708430.db2.gz DQAVBYBGEPNFNY-XFIYOXNOSA-N 1 3 252.446 3.035 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000423294541 528951323 /nfs/dbraw/zinc/95/13/23/528951323.db2.gz USYTWHCHTZJNST-INIZCTEOSA-N 1 3 296.430 3.401 20 0 CGADHO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303152 528957542 /nfs/dbraw/zinc/95/75/42/528957542.db2.gz WPJVLSMADAHUQR-GDBMZVCRSA-N 1 3 286.423 3.040 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423326112 529122112 /nfs/dbraw/zinc/12/21/12/529122112.db2.gz QMYKFZADVUSUJH-CABCVRRESA-N 1 3 266.816 3.364 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H](N)C1CC1)c1cc2ccccc2o1 ZINC000423338445 529122532 /nfs/dbraw/zinc/12/25/32/529122532.db2.gz ZEVSGOUJQSOARM-YOEHRIQHSA-N 1 3 272.392 3.457 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423479289 529176271 /nfs/dbraw/zinc/17/62/71/529176271.db2.gz UYCQRNROMLQOPV-CGTJXYLNSA-N 1 3 290.426 3.297 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423290351 529247774 /nfs/dbraw/zinc/24/77/74/529247774.db2.gz ZTFZTMOHXBYPMA-NSHDSACASA-N 1 3 252.427 3.187 20 0 CGADHO CCSc1ccccc1[C@H](C)NCCOCC[NH+](C)C ZINC000447592206 529257821 /nfs/dbraw/zinc/25/78/21/529257821.db2.gz KFKPRCZEPOEVCG-AWEZNQCLSA-N 1 3 296.480 3.027 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000481030614 534958777 /nfs/dbraw/zinc/95/87/77/534958777.db2.gz ASQALWUWDBDUMX-HBUWYVDXSA-N 1 3 290.426 3.381 20 0 CGADHO CCc1ccc2nccc(NC3CC[NH+](C)CC3)c2c1 ZINC000296590465 535833070 /nfs/dbraw/zinc/83/30/70/535833070.db2.gz RXZBNWSJEVTAAX-UHFFFAOYSA-N 1 3 269.392 3.303 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459519630 536138767 /nfs/dbraw/zinc/13/87/67/536138767.db2.gz YRUMTJQISNLGHF-SFHVURJKSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459519630 536138770 /nfs/dbraw/zinc/13/87/70/536138770.db2.gz YRUMTJQISNLGHF-SFHVURJKSA-N 1 3 272.436 3.480 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000049453940 617608920 /nfs/dbraw/zinc/60/89/20/617608920.db2.gz AOVWMGSZHOUSBL-UHFFFAOYSA-N 1 3 260.425 3.205 20 0 CGADHO CCOc1ccc(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000892121737 618542828 /nfs/dbraw/zinc/54/28/28/618542828.db2.gz QCQSGXJOYLPDGQ-UHFFFAOYSA-N 1 3 294.439 3.232 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000926431616 618670983 /nfs/dbraw/zinc/67/09/83/618670983.db2.gz PFLODDKGTIWTIK-HNNXBMFYSA-N 1 3 284.513 3.230 20 0 CGADHO Cc1cccc2c1[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000926542223 618731543 /nfs/dbraw/zinc/73/15/43/618731543.db2.gz QLOHJJIYWCDVBS-NPYXIHBLSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1cccc2c1[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000926542223 618731544 /nfs/dbraw/zinc/73/15/44/618731544.db2.gz QLOHJJIYWCDVBS-NPYXIHBLSA-N 1 3 270.420 3.197 20 0 CGADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000926739644 618854986 /nfs/dbraw/zinc/85/49/86/618854986.db2.gz WOKNONLXOYUQMB-RCCFBDPRSA-N 1 3 296.499 3.028 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000892585260 618868079 /nfs/dbraw/zinc/86/80/79/618868079.db2.gz SSUHBACYAYJGFL-CQSZACIVSA-N 1 3 293.455 3.147 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000892585260 618868082 /nfs/dbraw/zinc/86/80/82/618868082.db2.gz SSUHBACYAYJGFL-CQSZACIVSA-N 1 3 293.455 3.147 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000926870505 618959126 /nfs/dbraw/zinc/95/91/26/618959126.db2.gz IDCMDKZHSDOFDB-QGZVFWFLSA-N 1 3 296.499 3.292 20 0 CGADHO CN1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892947139 618960819 /nfs/dbraw/zinc/96/08/19/618960819.db2.gz WYCUUCJEKFIDCJ-GFCCVEGCSA-N 1 3 286.341 3.195 20 0 CGADHO CC1(C)C[C@@H](N[C@@H]2CCCc3occc32)C[C@@H]([NH3+])C1 ZINC000925606556 619083235 /nfs/dbraw/zinc/08/32/35/619083235.db2.gz ODWFGYIWIRFTJB-MBNYWOFBSA-N 1 3 262.397 3.153 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925670849 619122859 /nfs/dbraw/zinc/12/28/59/619122859.db2.gz ABFHSEVZTXYUIV-IRXDYDNUSA-N 1 3 296.499 3.197 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3C[C@@H]([NH3+])C34CCC4)CC2)c(C)c1 ZINC000925677684 619126546 /nfs/dbraw/zinc/12/65/46/619126546.db2.gz AAAZCPHSLSLWMT-IAGOWNOFSA-N 1 3 284.447 3.195 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1C[C@H]1C1CCC1 ZINC000925711969 619157657 /nfs/dbraw/zinc/15/76/57/619157657.db2.gz YHPPTLKQKJFMEV-XSLAGTTESA-N 1 3 276.468 3.181 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CC(F)F ZINC000925714225 619160169 /nfs/dbraw/zinc/16/01/69/619160169.db2.gz XHMYBODOLYKFIB-YUTCNCBUSA-N 1 3 274.399 3.036 20 0 CGADHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cc2cnccc2o1 ZINC000925731217 619202831 /nfs/dbraw/zinc/20/28/31/619202831.db2.gz ZHLPZPAYFFBMMG-UBHSHLNASA-N 1 3 287.407 3.384 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2(CC3CC3)CC2)c2ccccc21 ZINC000925733334 619208024 /nfs/dbraw/zinc/20/80/24/619208024.db2.gz GZVDXUPQUFJMIQ-CVEARBPZSA-N 1 3 256.393 3.301 20 0 CGADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000924958698 619461515 /nfs/dbraw/zinc/46/15/15/619461515.db2.gz GIVHWVLKVAJIBC-BBWFWOEESA-N 1 3 284.488 3.026 20 0 CGADHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000895377698 619816582 /nfs/dbraw/zinc/81/65/82/619816582.db2.gz GJJVEWNOLOBNBO-JHJVBQTASA-N 1 3 293.282 3.232 20 0 CGADHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000895377698 619816585 /nfs/dbraw/zinc/81/65/85/619816585.db2.gz GJJVEWNOLOBNBO-JHJVBQTASA-N 1 3 293.282 3.232 20 0 CGADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000895377695 619816639 /nfs/dbraw/zinc/81/66/39/619816639.db2.gz GJJVEWNOLOBNBO-AGIUHOORSA-N 1 3 293.282 3.232 20 0 CGADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000895377695 619816641 /nfs/dbraw/zinc/81/66/41/619816641.db2.gz GJJVEWNOLOBNBO-AGIUHOORSA-N 1 3 293.282 3.232 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144098 620180008 /nfs/dbraw/zinc/18/00/08/620180008.db2.gz UAWSVWOFQNMASN-GRDNDAEWSA-N 1 3 290.451 3.047 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144098 620180010 /nfs/dbraw/zinc/18/00/10/620180010.db2.gz UAWSVWOFQNMASN-GRDNDAEWSA-N 1 3 290.451 3.047 20 0 CGADHO CC1(C)Cc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])ccc2O1 ZINC000841031477 620408533 /nfs/dbraw/zinc/40/85/33/620408533.db2.gz SJOTXQVLXMAQMK-ZBFHGGJFSA-N 1 3 288.435 3.007 20 0 CGADHO C[C@@H](CN1CCC([NH2+]C2CCC2)CC1)C(C)(C)C ZINC000897982361 620461987 /nfs/dbraw/zinc/46/19/87/620461987.db2.gz KTBKTAZRGAPUDH-ZDUSSCGKSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000902432189 621316310 /nfs/dbraw/zinc/31/63/10/621316310.db2.gz OGXHQRBTNSUBCZ-HOTGVXAUSA-N 1 3 264.457 3.181 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468216 621339468 /nfs/dbraw/zinc/33/94/68/621339468.db2.gz NGABANCBSPAUCR-QUESIWGOSA-N 1 3 290.838 3.459 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902736517 621419255 /nfs/dbraw/zinc/41/92/55/621419255.db2.gz UFEDGVONOVORHJ-ZWKOTPCHSA-N 1 3 296.499 3.292 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCCO1 ZINC000903196801 621621983 /nfs/dbraw/zinc/62/19/83/621621983.db2.gz RNPIQUKSFBETCU-LLPGRJKPSA-N 1 3 292.467 3.082 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCCO1 ZINC000903196801 621621988 /nfs/dbraw/zinc/62/19/88/621621988.db2.gz RNPIQUKSFBETCU-LLPGRJKPSA-N 1 3 292.467 3.082 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903427307 621741873 /nfs/dbraw/zinc/74/18/73/621741873.db2.gz VJSJHJAYWWHCKS-HFTRVMKXSA-N 1 3 288.435 3.078 20 0 CGADHO COc1ccc([C@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903718587 621796092 /nfs/dbraw/zinc/79/60/92/621796092.db2.gz PFTJHPKMNLWVAF-CRAIPNDOSA-N 1 3 288.435 3.222 20 0 CGADHO c1csc([C@@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903718660 621796112 /nfs/dbraw/zinc/79/61/12/621796112.db2.gz QLNYECWKWLXNLF-KGLIPLIRSA-N 1 3 264.438 3.275 20 0 CGADHO c1cc2cnccc2c(CN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903960229 621837555 /nfs/dbraw/zinc/83/75/55/621837555.db2.gz ZSFFKXFMLLLKLC-LJQANCHMSA-N 1 3 295.430 3.200 20 0 CGADHO C[C@]1(CN2CCC[C@@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303822 621902355 /nfs/dbraw/zinc/90/23/55/621902355.db2.gz IKQUAQXRVAAHEN-HIFRSBDPSA-N 1 3 264.438 3.275 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904315473 621903969 /nfs/dbraw/zinc/90/39/69/621903969.db2.gz AZSVBWUUIHOPDA-WMZOPIPTSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904315473 621903974 /nfs/dbraw/zinc/90/39/74/621903974.db2.gz AZSVBWUUIHOPDA-WMZOPIPTSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccc([C@H]2CC[N@H+](C[C@]3(C)CCCNC3)C2)cc1 ZINC000904340961 621909611 /nfs/dbraw/zinc/90/96/11/621909611.db2.gz GPRYCHBFERFOAO-ZWKOTPCHSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccc([C@H]2CC[N@@H+](C[C@]3(C)CCCNC3)C2)cc1 ZINC000904340961 621909615 /nfs/dbraw/zinc/90/96/15/621909615.db2.gz GPRYCHBFERFOAO-ZWKOTPCHSA-N 1 3 272.436 3.174 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(C(F)F)c(F)c2)C1 ZINC000904355325 621911004 /nfs/dbraw/zinc/91/10/04/621911004.db2.gz MNVSKZHRRBWXRG-MNOVXSKESA-N 1 3 272.314 3.123 20 0 CGADHO Cc1ncsc1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904415977 621920019 /nfs/dbraw/zinc/92/00/19/621920019.db2.gz DIPNPYGDHZTRGG-AWEZNQCLSA-N 1 3 293.480 3.053 20 0 CGADHO C[C@H](C[NH2+]C1CCCCCCC1)CN1CCCC1 ZINC000057994378 622895772 /nfs/dbraw/zinc/89/57/72/622895772.db2.gz OYNYYFORJXSLQJ-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)N1CCCCC1 ZINC000921989512 625953838 /nfs/dbraw/zinc/95/38/38/625953838.db2.gz FPEVXBYYRLUDCO-ZJPYXAASSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cnc(Cl)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000922069362 625968928 /nfs/dbraw/zinc/96/89/28/625968928.db2.gz OGQQALMCGOLPOM-UHFFFAOYSA-N 1 3 293.842 3.007 20 0 CGADHO COc1cc(C)c([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000753665386 626461484 /nfs/dbraw/zinc/46/14/84/626461484.db2.gz OAHWYMJUARVJOW-HOTGVXAUSA-N 1 3 290.451 3.304 20 0 CGADHO COc1cc(C)c([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665386 626461486 /nfs/dbraw/zinc/46/14/86/626461486.db2.gz OAHWYMJUARVJOW-HOTGVXAUSA-N 1 3 290.451 3.304 20 0 CGADHO Cc1cccc2c1CC[N@@H+](CC[C@H]1CCCCN1C)C2 ZINC000760838292 626995919 /nfs/dbraw/zinc/99/59/19/626995919.db2.gz XXESOEPABPVCDO-QGZVFWFLSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1cccc2c1CC[N@H+](CC[C@H]1CCCCN1C)C2 ZINC000760838292 626995923 /nfs/dbraw/zinc/99/59/23/626995923.db2.gz XXESOEPABPVCDO-QGZVFWFLSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000766478382 627335565 /nfs/dbraw/zinc/33/55/65/627335565.db2.gz IZVJIGOYPGMMFE-RYRKJORJSA-N 1 3 272.436 3.445 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000788520967 629062700 /nfs/dbraw/zinc/06/27/00/629062700.db2.gz NBCCCVNMBZTLJK-ZBFHGGJFSA-N 1 3 271.408 3.130 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)CN(C)C ZINC000813785517 631460718 /nfs/dbraw/zinc/46/07/18/631460718.db2.gz CWUJZLBZIXWPMX-CQSZACIVSA-N 1 3 290.451 3.078 20 0 CGADHO CO[C@H](CNC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000815650823 631812595 /nfs/dbraw/zinc/81/25/95/631812595.db2.gz BZJBIVNYISGWDX-GOSISDBHSA-N 1 3 294.483 3.046 20 0 CGADHO CO[C@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)C1CC1 ZINC000815650823 631812600 /nfs/dbraw/zinc/81/26/00/631812600.db2.gz BZJBIVNYISGWDX-GOSISDBHSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1(Cl)Cl ZINC000817935231 632237374 /nfs/dbraw/zinc/23/73/74/632237374.db2.gz AOCXNZFEDNLOBG-UMSGYPCISA-N 1 3 291.266 3.081 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccccc1N(C)C ZINC000817949542 632245566 /nfs/dbraw/zinc/24/55/66/632245566.db2.gz QYZOCXBKCORKQX-OAHLLOKOSA-N 1 3 297.446 3.105 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(SC(F)F)cc1 ZINC000817953667 632249568 /nfs/dbraw/zinc/24/95/68/632249568.db2.gz SFPHGIVZZONCOD-VHSXEESVSA-N 1 3 274.380 3.389 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965145 632259992 /nfs/dbraw/zinc/25/99/92/632259992.db2.gz MRGTWEGRMICIRL-RNCFNFMXSA-N 1 3 286.391 3.389 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(SC(F)F)cc1)[C@H](C)N ZINC000817977866 632268543 /nfs/dbraw/zinc/26/85/43/632268543.db2.gz QWCRGTBUEJCPGS-AEJSXWLSSA-N 1 3 274.380 3.388 20 0 CGADHO C[C@@H](NCc1cccc(CO)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809930 632680676 /nfs/dbraw/zinc/68/06/76/632680676.db2.gz LCUCIMXQOQQHOZ-OAHLLOKOSA-N 1 3 298.430 3.091 20 0 CGADHO Cc1ccccc1-c1cnc(CN(C)C2CCC([NH3+])CC2)o1 ZINC000844220924 635833917 /nfs/dbraw/zinc/83/39/17/635833917.db2.gz QGJFIUWRUOLJHX-UHFFFAOYSA-N 1 3 299.418 3.352 20 0 CGADHO Cc1ccc2c(ccc(C)c2C[N@@H+]2CCCO[C@H](CN)C2)c1 ZINC000872145893 634064770 /nfs/dbraw/zinc/06/47/70/634064770.db2.gz YMYWOLSYFFKAOB-QGZVFWFLSA-N 1 3 298.430 3.006 20 0 CGADHO Cc1ccc2c(ccc(C)c2C[N@H+]2CCCO[C@H](CN)C2)c1 ZINC000872145893 634064771 /nfs/dbraw/zinc/06/47/71/634064771.db2.gz YMYWOLSYFFKAOB-QGZVFWFLSA-N 1 3 298.430 3.006 20 0 CGADHO Cc1ccc2c(ccc(C)c2CN2CCCO[C@H](C[NH3+])C2)c1 ZINC000872145893 634064772 /nfs/dbraw/zinc/06/47/72/634064772.db2.gz YMYWOLSYFFKAOB-QGZVFWFLSA-N 1 3 298.430 3.006 20 0 CGADHO C[C@H](C1CC1)[N@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873203181 634284820 /nfs/dbraw/zinc/28/48/20/634284820.db2.gz SBJAXTCPXVAIJV-LLVKDONJSA-N 1 3 276.449 3.157 20 0 CGADHO C[C@H](C1CC1)[N@@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873203181 634284823 /nfs/dbraw/zinc/28/48/23/634284823.db2.gz SBJAXTCPXVAIJV-LLVKDONJSA-N 1 3 276.449 3.157 20 0 CGADHO Cc1cc(CNCc2ccc(CC[NH3+])cc2)c(C)s1 ZINC000841031939 635109360 /nfs/dbraw/zinc/10/93/60/635109360.db2.gz CWGBSCSYQMLUSY-UHFFFAOYSA-N 1 3 274.433 3.156 20 0 CGADHO [NH3+]CCc1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000841036682 635111018 /nfs/dbraw/zinc/11/10/18/635111018.db2.gz SKDRGSCHDADQDI-UHFFFAOYSA-N 1 3 274.795 3.131 20 0 CGADHO CN1CC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573679 635814130 /nfs/dbraw/zinc/81/41/30/635814130.db2.gz PORRWJJMPWNSEB-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573679 635814134 /nfs/dbraw/zinc/81/41/34/635814134.db2.gz PORRWJJMPWNSEB-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC3(CC3)C2)C[C@@H](C)O1 ZINC000883203958 636583306 /nfs/dbraw/zinc/58/33/06/636583306.db2.gz PHIHGHRVMLPTOV-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883430050 636753489 /nfs/dbraw/zinc/75/34/89/636753489.db2.gz MEFGCRXINVQBTP-IKGGRYGDSA-N 1 3 290.451 3.260 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(C)c1 ZINC000850174499 636973843 /nfs/dbraw/zinc/97/38/43/636973843.db2.gz RHJCDVOMEHMXFR-IAGOWNOFSA-N 1 3 290.451 3.356 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434407 637060849 /nfs/dbraw/zinc/06/08/49/637060849.db2.gz XMSGLULKXIQSBX-HUUCEWRRSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434407 637060851 /nfs/dbraw/zinc/06/08/51/637060851.db2.gz XMSGLULKXIQSBX-HUUCEWRRSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)N1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885902933 637309404 /nfs/dbraw/zinc/30/94/04/637309404.db2.gz CNYMCPYAGKBJSU-GQCTYLIASA-N 1 3 276.399 3.301 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938020 637320616 /nfs/dbraw/zinc/32/06/16/637320616.db2.gz PGIVWYUDSBXYDT-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000886693478 637657945 /nfs/dbraw/zinc/65/79/45/637657945.db2.gz BRRCBKBBWIOVSD-LUYZLQTOSA-N 1 3 264.457 3.131 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc2c(c1)CCCO2 ZINC000854230006 638029250 /nfs/dbraw/zinc/02/92/50/638029250.db2.gz CQEVSZGSZHGAIR-SJORKVTESA-N 1 3 290.451 3.426 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000924526989 638349798 /nfs/dbraw/zinc/34/97/98/638349798.db2.gz JFMXZNQXXBKEJQ-HIFRSBDPSA-N 1 3 293.455 3.461 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924572026 638365695 /nfs/dbraw/zinc/36/56/95/638365695.db2.gz PZTKNGSQDQHNGH-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)(C)CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925586549 638537002 /nfs/dbraw/zinc/53/70/02/638537002.db2.gz ZNQZAJXNOSUAGP-HUUCEWRRSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccccc3F)C1)[NH2+]2 ZINC000925656811 638559619 /nfs/dbraw/zinc/55/96/19/638559619.db2.gz PHMWHOROAXYCKK-PHEWQEMJSA-N 1 3 288.410 3.190 20 0 CGADHO FC(F)(F)C1(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925669913 638563216 /nfs/dbraw/zinc/56/32/16/638563216.db2.gz HCVPJZXVNNINDK-STQMWFEESA-N 1 3 290.373 3.087 20 0 CGADHO CC1(C)C[C@@H](N[C@H](c2ccccn2)C2CCC2)C[C@@H]([NH3+])C1 ZINC000925724236 638582315 /nfs/dbraw/zinc/58/23/15/638582315.db2.gz XNAAOKDJNYUCLM-VYDXJSESSA-N 1 3 287.451 3.418 20 0 CGADHO C(C[C@@H]1C[C@H]1C1CC1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925803310 638617801 /nfs/dbraw/zinc/61/78/01/638617801.db2.gz XGCNDSOCHFFYAP-VSZNYVQBSA-N 1 3 276.468 3.181 20 0 CGADHO CC[NH+](CC)[C@H](CNc1ccnc(CO)c1)c1ccccc1 ZINC000858316231 638679604 /nfs/dbraw/zinc/67/96/04/638679604.db2.gz ONGXIAGFCFRWLI-GOSISDBHSA-N 1 3 299.418 3.069 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)N1CCCCC1 ZINC000926146298 638722165 /nfs/dbraw/zinc/72/21/65/638722165.db2.gz UNUJAWGMUXNMJW-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)N1CCCCC1 ZINC000926146294 638722540 /nfs/dbraw/zinc/72/25/40/638722540.db2.gz UNUJAWGMUXNMJW-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000926739642 638805655 /nfs/dbraw/zinc/80/56/55/638805655.db2.gz WOKNONLXOYUQMB-KURKYZTESA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000926827025 638815625 /nfs/dbraw/zinc/81/56/25/638815625.db2.gz UAPWAKGMBCVCBD-SZMVWBNQSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C=CCC2)CC1 ZINC000926835372 638816130 /nfs/dbraw/zinc/81/61/30/638816130.db2.gz BQMFLHNSKGPWMF-OAHLLOKOSA-N 1 3 250.430 3.053 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H](C1CC1)C(C)(C)C)c1cccnc1 ZINC000926895976 638822345 /nfs/dbraw/zinc/82/23/45/638822345.db2.gz CBTOKTCTSZFEBA-DLBZAZTESA-N 1 3 289.467 3.489 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000927131065 638845965 /nfs/dbraw/zinc/84/59/65/638845965.db2.gz VABSUZNQXFLGMP-INIZCTEOSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@H](CC(F)F)C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931356154 639139942 /nfs/dbraw/zinc/13/99/42/639139942.db2.gz ZFURXHBBSWLMKS-GFCCVEGCSA-N 1 3 262.388 3.084 20 0 CGADHO CC(C)C[N@H+](CC[C@H]1CCCN1C)Cc1ccccn1 ZINC000932449872 639335756 /nfs/dbraw/zinc/33/57/56/639335756.db2.gz ULCXYXBITFFWRT-QGZVFWFLSA-N 1 3 275.440 3.024 20 0 CGADHO CC(C)C[N@@H+](CC[C@H]1CCCN1C)Cc1ccccn1 ZINC000932449872 639335758 /nfs/dbraw/zinc/33/57/58/639335758.db2.gz ULCXYXBITFFWRT-QGZVFWFLSA-N 1 3 275.440 3.024 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000253194072 640874445 /nfs/dbraw/zinc/87/44/45/640874445.db2.gz PLJLVXJMNZKTNV-DGCLKSJQSA-N 1 3 286.341 3.122 20 0 CGADHO CCCCC[C@@H](O)CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253533394 806238097 /nfs/dbraw/zinc/23/80/97/806238097.db2.gz QPQHDSHJPHCBKH-QZTJIDSGSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253533394 806238099 /nfs/dbraw/zinc/23/80/99/806238099.db2.gz QPQHDSHJPHCBKH-QZTJIDSGSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001253533394 806238106 /nfs/dbraw/zinc/23/81/06/806238106.db2.gz QPQHDSHJPHCBKH-QZTJIDSGSA-N 1 3 296.499 3.268 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504804 806424361 /nfs/dbraw/zinc/42/43/61/806424361.db2.gz WKOVXMJJNLHVFW-ZBFHGGJFSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504804 806424363 /nfs/dbraw/zinc/42/43/63/806424363.db2.gz WKOVXMJJNLHVFW-ZBFHGGJFSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504798 806425152 /nfs/dbraw/zinc/42/51/52/806425152.db2.gz WKOVXMJJNLHVFW-GDBMZVCRSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC001254504798 806425158 /nfs/dbraw/zinc/42/51/58/806425158.db2.gz WKOVXMJJNLHVFW-GDBMZVCRSA-N 1 3 278.827 3.401 20 0 CGADHO COc1cccc(C(C)(C)N[C@H]2CCC[N@H+](C)CC2)c1 ZINC001254510015 806430092 /nfs/dbraw/zinc/43/00/92/806430092.db2.gz LHPKMXWENTZDKJ-HNNXBMFYSA-N 1 3 276.424 3.004 20 0 CGADHO COc1cccc(C(C)(C)N[C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254510015 806430097 /nfs/dbraw/zinc/43/00/97/806430097.db2.gz LHPKMXWENTZDKJ-HNNXBMFYSA-N 1 3 276.424 3.004 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517324 806436363 /nfs/dbraw/zinc/43/63/63/806436363.db2.gz ULIRWUOZQAJVTD-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517324 806436366 /nfs/dbraw/zinc/43/63/66/806436366.db2.gz ULIRWUOZQAJVTD-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522814 806438227 /nfs/dbraw/zinc/43/82/27/806438227.db2.gz JOMKLTCTLFJXJF-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522814 806438231 /nfs/dbraw/zinc/43/82/31/806438231.db2.gz JOMKLTCTLFJXJF-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO NC1(c2cccc(Cl)c2)CC[NH+]([C@H]2CCSC2)CC1 ZINC001255275720 806591444 /nfs/dbraw/zinc/59/14/44/806591444.db2.gz MUSDKTSMAPSYMC-AWEZNQCLSA-N 1 3 296.867 3.095 20 0 CGADHO Cc1cncc([C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001255676823 806702640 /nfs/dbraw/zinc/70/26/40/806702640.db2.gz ODCDCOLNEWIIJV-IPQPSQTFSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cncc([C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001255676823 806702645 /nfs/dbraw/zinc/70/26/45/806702645.db2.gz ODCDCOLNEWIIJV-IPQPSQTFSA-N 1 3 299.462 3.446 20 0 CGADHO CC(C)([NH3+])c1ccccc1N[C@H]1CNCc2ccsc21 ZINC001163231573 806731900 /nfs/dbraw/zinc/73/19/00/806731900.db2.gz WVYKHBWRMQCCAM-AWEZNQCLSA-N 1 3 287.432 3.198 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405440341 799585001 /nfs/dbraw/zinc/58/50/01/799585001.db2.gz VNKIQTJUPKHCDE-KCPJHIHWSA-N 1 3 278.827 3.131 20 0 CGADHO FC1(F)CC12CCN(Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC000687963064 799742586 /nfs/dbraw/zinc/74/25/86/799742586.db2.gz QSXKHIFCXXADDP-UHFFFAOYSA-N 1 3 298.402 3.015 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000700827418 799881542 /nfs/dbraw/zinc/88/15/42/799881542.db2.gz WFDXMXAVEPDDRC-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000700822392 799881858 /nfs/dbraw/zinc/88/18/58/799881858.db2.gz FPAGVORWRFCNAT-HSBZDZAISA-N 1 3 292.389 3.429 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1ncccc1C ZINC001255941927 806790003 /nfs/dbraw/zinc/79/00/03/806790003.db2.gz ZOLPPDWBOWLTDQ-MRXNPFEDSA-N 1 3 277.456 3.033 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNCC2(C)C)CC(C)(C)C1 ZINC000708327834 799985104 /nfs/dbraw/zinc/98/51/04/799985104.db2.gz CLUYNXNAELJUCW-MGPQQGTHSA-N 1 3 252.446 3.179 20 0 CGADHO CCCC[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708544223 799991075 /nfs/dbraw/zinc/99/10/75/799991075.db2.gz PINGJNNTRNPLIL-NVXWUHKLSA-N 1 3 260.425 3.144 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCCc3ccccc31)[NH2+]2 ZINC000709384278 800007399 /nfs/dbraw/zinc/00/73/99/800007399.db2.gz HWAYURDKLBPHSE-PYHPYESLSA-N 1 3 270.420 3.183 20 0 CGADHO CC1(C)CCC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000709791712 800018319 /nfs/dbraw/zinc/01/83/19/800018319.db2.gz VPIFXMDASZNWIU-ZBFHGGJFSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)CCC[C@@H]([N@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000709791712 800018322 /nfs/dbraw/zinc/01/83/22/800018322.db2.gz VPIFXMDASZNWIU-ZBFHGGJFSA-N 1 3 250.430 3.031 20 0 CGADHO CCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709808073 800018451 /nfs/dbraw/zinc/01/84/51/800018451.db2.gz JUAZHHVRDWYREP-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709808073 800018455 /nfs/dbraw/zinc/01/84/55/800018455.db2.gz JUAZHHVRDWYREP-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CC1(C)CCC[C@@H]([N@@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000709791709 800018881 /nfs/dbraw/zinc/01/88/81/800018881.db2.gz VPIFXMDASZNWIU-GDBMZVCRSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)CCC[C@@H]([N@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000709791709 800018891 /nfs/dbraw/zinc/01/88/91/800018891.db2.gz VPIFXMDASZNWIU-GDBMZVCRSA-N 1 3 250.430 3.031 20 0 CGADHO CCCC1CCC([N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000709852404 800020183 /nfs/dbraw/zinc/02/01/83/800020183.db2.gz WAXGSQPAKIEUDE-OFLPRAFFSA-N 1 3 264.457 3.421 20 0 CGADHO CCCC1CCC([N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000709852404 800020189 /nfs/dbraw/zinc/02/01/89/800020189.db2.gz WAXGSQPAKIEUDE-OFLPRAFFSA-N 1 3 264.457 3.421 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC000711051374 800046306 /nfs/dbraw/zinc/04/63/06/800046306.db2.gz UPJOOASKNOMCAI-MRXNPFEDSA-N 1 3 260.425 3.348 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000715504154 800135977 /nfs/dbraw/zinc/13/59/77/800135977.db2.gz BSGCFSOZKWLWFT-SOUVJXGZSA-N 1 3 252.446 3.418 20 0 CGADHO C[NH+](C)C1(C)CCC(NCc2ncc(Cl)s2)CC1 ZINC000715530029 800137917 /nfs/dbraw/zinc/13/79/17/800137917.db2.gz WMLOKVWMTMWATN-UHFFFAOYSA-N 1 3 287.860 3.149 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CCN1 ZINC000723665314 800336594 /nfs/dbraw/zinc/33/65/94/800336594.db2.gz XLZPVTIEELKTAV-IBEHDNSVSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256110189 806823344 /nfs/dbraw/zinc/82/33/44/806823344.db2.gz WWRCZNQEESYMMS-PVAVHDDUSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256110189 806823352 /nfs/dbraw/zinc/82/33/52/806823352.db2.gz WWRCZNQEESYMMS-PVAVHDDUSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000926559805 800640492 /nfs/dbraw/zinc/64/04/92/800640492.db2.gz XCMBOUPYVRNASY-MRXNPFEDSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](N)c1ccn([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256525875 806909736 /nfs/dbraw/zinc/90/97/36/806909736.db2.gz GHFDYMRZBVHACA-YQQAZPJKSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1ccn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256525875 806909738 /nfs/dbraw/zinc/90/97/38/806909738.db2.gz GHFDYMRZBVHACA-YQQAZPJKSA-N 1 3 298.434 3.128 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC001256558077 806915538 /nfs/dbraw/zinc/91/55/38/806915538.db2.gz PZBPESLDCNDUDU-UHFFFAOYSA-N 1 3 278.415 3.221 20 0 CGADHO CCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621256 806928411 /nfs/dbraw/zinc/92/84/11/806928411.db2.gz NANUHHQWXVLNEE-SJPCQFCGSA-N 1 3 258.409 3.134 20 0 CGADHO CCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621256 806928416 /nfs/dbraw/zinc/92/84/16/806928416.db2.gz NANUHHQWXVLNEE-SJPCQFCGSA-N 1 3 258.409 3.134 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2ccncc2)CC1 ZINC001256730887 806961897 /nfs/dbraw/zinc/96/18/97/806961897.db2.gz XQAMDQWWHYKLOE-OAHLLOKOSA-N 1 3 289.467 3.255 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2ccncc2)CC1 ZINC001256730887 806961901 /nfs/dbraw/zinc/96/19/01/806961901.db2.gz XQAMDQWWHYKLOE-OAHLLOKOSA-N 1 3 289.467 3.255 20 0 CGADHO Fc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001118180369 802534578 /nfs/dbraw/zinc/53/45/78/802534578.db2.gz HWGPNOFTELNRSJ-UHFFFAOYSA-N 1 3 296.817 3.445 20 0 CGADHO Cc1ccc(CC2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC001118241873 802540778 /nfs/dbraw/zinc/54/07/78/802540778.db2.gz QAOCEWCAPFJNIR-IBGZPJMESA-N 1 3 286.463 3.249 20 0 CGADHO C[NH+](C)CC1(CN2CCC[C@@H](C(F)F)C2)CCCC1 ZINC001208185625 813736008 /nfs/dbraw/zinc/73/60/08/813736008.db2.gz GWJCVOZVYGSOLI-CYBMUJFWSA-N 1 3 274.399 3.086 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1ccc(O)c2ccccc12 ZINC001138059545 803843684 /nfs/dbraw/zinc/84/36/84/803843684.db2.gz GHTZNWBLOVWJBZ-UHFFFAOYSA-N 1 3 298.430 3.463 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1ccc(O)c2ccccc12 ZINC001138059545 803843693 /nfs/dbraw/zinc/84/36/93/803843693.db2.gz GHTZNWBLOVWJBZ-UHFFFAOYSA-N 1 3 298.430 3.463 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]C2CCC(C)CC2)CCN1 ZINC001246063756 804106271 /nfs/dbraw/zinc/10/62/71/804106271.db2.gz CVXULYMIJVHFNZ-FJBKBRRZSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246073278 804109995 /nfs/dbraw/zinc/10/99/95/804109995.db2.gz WMFSHLRITIPUGU-UXHICEINSA-N 1 3 294.442 3.448 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)NCC1([NH3+])CCCC1 ZINC001246074116 804112172 /nfs/dbraw/zinc/11/21/72/804112172.db2.gz CLOIVWGJASYAQM-LLVKDONJSA-N 1 3 284.806 3.271 20 0 CGADHO CC[C@H]1CC(NCCc2ccc(F)cc2)C[C@H](CC)[NH2+]1 ZINC001246073563 804112506 /nfs/dbraw/zinc/11/25/06/804112506.db2.gz HAUSSUBRMGCWHE-HOTGVXAUSA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@H]1C[C@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246076964 804116220 /nfs/dbraw/zinc/11/62/20/804116220.db2.gz QLXGROMYGNQGDE-NWDGAFQWSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246096241 804128985 /nfs/dbraw/zinc/12/89/85/804128985.db2.gz IWWANZZSYQGPKG-MFKMUULPSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)ccc2Cl)CCN1 ZINC001246096241 804128990 /nfs/dbraw/zinc/12/89/90/804128990.db2.gz IWWANZZSYQGPKG-MFKMUULPSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097564 804129846 /nfs/dbraw/zinc/12/98/46/804129846.db2.gz YSYVUQRISJXTQR-LEOABGAYSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)NCC(C)(C)[NH3+] ZINC001246099269 804132201 /nfs/dbraw/zinc/13/22/01/804132201.db2.gz GBXBYEVZSVSZQK-SECBINFHSA-N 1 3 290.785 3.266 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC(C)(C)N ZINC001246100183 804133984 /nfs/dbraw/zinc/13/39/84/804133984.db2.gz LWYJQSCDUNQOGU-SNVBAGLBSA-N 1 3 272.845 3.148 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246103360 804137105 /nfs/dbraw/zinc/13/71/05/804137105.db2.gz YQNHFCRJHMTKAY-DLBZAZTESA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246108879 804141723 /nfs/dbraw/zinc/14/17/23/804141723.db2.gz HCMSTTMNBXCHQS-KBAYOESNSA-N 1 3 274.452 3.374 20 0 CGADHO C[C@@H]1CC[C@H](CNC2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC001246116728 804148471 /nfs/dbraw/zinc/14/84/71/804148471.db2.gz XPQMEOCVSCMKRP-IKWCTNDRSA-N 1 3 278.362 3.085 20 0 CGADHO CCCCCC[C@H](C)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116131 804148592 /nfs/dbraw/zinc/14/85/92/804148592.db2.gz VBRRXWQDTSENHK-STQMWFEESA-N 1 3 280.378 3.477 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+][C@H]1CNCC12CC2 ZINC001246128915 804155607 /nfs/dbraw/zinc/15/56/07/804155607.db2.gz FPIBXZPOFRUSOO-GJZGRUSLSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246151365 804170647 /nfs/dbraw/zinc/17/06/47/804170647.db2.gz NDUUNXPKKFSWKH-MSOLQXFVSA-N 1 3 296.499 3.196 20 0 CGADHO CCCCCC[C@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246152783 804170848 /nfs/dbraw/zinc/17/08/48/804170848.db2.gz PXCKRKZAOPLWSZ-BBWFWOEESA-N 1 3 282.472 3.094 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)NC[C@@H]1CCCC[NH2+]1 ZINC001246166777 804183324 /nfs/dbraw/zinc/18/33/24/804183324.db2.gz CBEWSCPEABPBHI-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO Cc1ccccc1OCCCN[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246173124 804187320 /nfs/dbraw/zinc/18/73/20/804187320.db2.gz ZTQVZJGWTVCXLM-DLBZAZTESA-N 1 3 290.451 3.130 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246186736 804198797 /nfs/dbraw/zinc/19/87/97/804198797.db2.gz ATZKWRCXEIWGIK-HOTGVXAUSA-N 1 3 280.843 3.249 20 0 CGADHO C[NH2+]CC[C@@H](C)NCCSCc1ccccc1Cl ZINC001246205461 804207242 /nfs/dbraw/zinc/20/72/42/804207242.db2.gz TXHUFTDHQALZKR-GFCCVEGCSA-N 1 3 286.872 3.161 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@]1(C)CC[NH2+]C1 ZINC001246216557 804211735 /nfs/dbraw/zinc/21/17/35/804211735.db2.gz NGJBCYCGABUJEE-SWLSCSKDSA-N 1 3 298.883 3.410 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246224299 804218819 /nfs/dbraw/zinc/21/88/19/804218819.db2.gz VYONIEUTQSJPTD-XQLPTFJDSA-N 1 3 258.425 3.129 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246229968 804223182 /nfs/dbraw/zinc/22/31/82/804223182.db2.gz NTAWDJMCMSPNGE-UVPYHEFZSA-N 1 3 264.457 3.321 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246233396 804224800 /nfs/dbraw/zinc/22/48/00/804224800.db2.gz RJOXISDYTXRIOQ-JONQDZQNSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)C([NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1)C(C)C ZINC001246241326 804234174 /nfs/dbraw/zinc/23/41/74/804234174.db2.gz ZHYQMBBLVAJTFF-KGLIPLIRSA-N 1 3 254.462 3.423 20 0 CGADHO Fc1cccc([C@H]([NH2+][C@@H]2CCCNC2)C2CCC2)c1 ZINC001246275876 804251094 /nfs/dbraw/zinc/25/10/94/804251094.db2.gz XVLCKLKFUMGWED-HZPDHXFCSA-N 1 3 262.372 3.009 20 0 CGADHO Fc1cccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC001246275267 804251450 /nfs/dbraw/zinc/25/14/50/804251450.db2.gz QOPYINKCPMXPDR-SJORKVTESA-N 1 3 276.399 3.399 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282916 804258880 /nfs/dbraw/zinc/25/88/80/804258880.db2.gz ZCCDAVISOCTSPM-GJZGRUSLSA-N 1 3 296.405 3.408 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC1(C[NH3+])CCCC1 ZINC001246287416 804260156 /nfs/dbraw/zinc/26/01/56/804260156.db2.gz OAPUBNYJRYZZOA-LLVKDONJSA-N 1 3 284.806 3.271 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H](C)CC2CCCCC2)CCN1 ZINC001246313283 804275951 /nfs/dbraw/zinc/27/59/51/804275951.db2.gz BXQZMFMSHYOXMA-FVQBIDKESA-N 1 3 252.446 3.466 20 0 CGADHO COc1ccc2cccc(CC[NH2+][C@H]3CCN[C@H](C)C3)c2c1 ZINC001246317286 804276614 /nfs/dbraw/zinc/27/66/14/804276614.db2.gz WCHHLBWLXXLIOV-PBHICJAKSA-N 1 3 298.430 3.121 20 0 CGADHO c1ccc([C@@H]2[C@H](N[C@H]3CCCC[NH2+]C3)[C@@H]3CC[C@H]2C3)cc1 ZINC001246328260 804284038 /nfs/dbraw/zinc/28/40/38/804284038.db2.gz WNIWFJVZBALOGQ-XCDZQEORSA-N 1 3 284.447 3.300 20 0 CGADHO CCCC[C@@H](CCC)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246328921 804284077 /nfs/dbraw/zinc/28/40/77/804284077.db2.gz ZSCCINNLBAQTFW-OAHLLOKOSA-N 1 3 298.471 3.010 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2cc(F)cc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246330077 804284788 /nfs/dbraw/zinc/28/47/88/804284788.db2.gz UPXSRVUJFLHQCW-FVQHAEBGSA-N 1 3 296.405 3.406 20 0 CGADHO c1ccc([C@H]2[C@H]3CC[C@H](C3)[C@@H]2N[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246328251 804284846 /nfs/dbraw/zinc/28/48/46/804284846.db2.gz WNIWFJVZBALOGQ-JKEDJMADSA-N 1 3 284.447 3.300 20 0 CGADHO CC[C@@H]1CC(NCCc2cc(F)cc(F)c2)C[C@@H](CC)[NH2+]1 ZINC001246330079 804285774 /nfs/dbraw/zinc/28/57/74/804285774.db2.gz UPXSRVUJFLHQCW-HZPDHXFCSA-N 1 3 296.405 3.406 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@H]2CC[NH2+][C@H](C)C2)c1F ZINC001246342280 804293810 /nfs/dbraw/zinc/29/38/10/804293810.db2.gz HBRWPRAKFDYXOZ-NEPJUHHUSA-N 1 3 284.806 3.060 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C(C)(C)CCN ZINC001246358287 804302800 /nfs/dbraw/zinc/30/28/00/804302800.db2.gz CKSOLXCDHXGQBQ-LLVKDONJSA-N 1 3 288.357 3.353 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+]C(C)(C)CCN ZINC001246358681 804303418 /nfs/dbraw/zinc/30/34/18/804303418.db2.gz GIARHAWIYWJGTF-INIZCTEOSA-N 1 3 262.441 3.361 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCNCC1(C)C ZINC001246371384 804307462 /nfs/dbraw/zinc/30/74/62/804307462.db2.gz GUARRVIPELPARQ-DOMZBBRYSA-N 1 3 280.843 3.249 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246368994 804308674 /nfs/dbraw/zinc/30/86/74/804308674.db2.gz AZNNJINOMBISBH-QZTJIDSGSA-N 1 3 286.463 3.158 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246373291 804310351 /nfs/dbraw/zinc/31/03/51/804310351.db2.gz PXFNGPFHYCGPKN-SCAQPMJSSA-N 1 3 274.452 3.435 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246373919 804310586 /nfs/dbraw/zinc/31/05/86/804310586.db2.gz RUCRMWVPMYKBEM-GOEBONIOSA-N 1 3 260.425 3.046 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883172 804310875 /nfs/dbraw/zinc/31/08/75/804310875.db2.gz FWLZHFSSLAUKLJ-AEFFLSMTSA-N 1 3 270.420 3.090 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883172 804310885 /nfs/dbraw/zinc/31/08/85/804310885.db2.gz FWLZHFSSLAUKLJ-AEFFLSMTSA-N 1 3 270.420 3.090 20 0 CGADHO Cc1ccc(CC2(C[NH2+]C3C[C@@H](C)N[C@H](C)C3)CC2)cc1 ZINC001246382583 804313858 /nfs/dbraw/zinc/31/38/58/804313858.db2.gz CHIZRLJVZHBBMB-HZPDHXFCSA-N 1 3 286.463 3.436 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246380432 804314416 /nfs/dbraw/zinc/31/44/16/804314416.db2.gz HFXVTLLZHVGUFV-AWEZNQCLSA-N 1 3 250.430 3.077 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246387459 804317476 /nfs/dbraw/zinc/31/74/76/804317476.db2.gz FHLNNERITGHOAU-GJZGRUSLSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccccc1CC1(C[NH2+][C@@H]2CCNC(C)(C)C2)CC1 ZINC001246393681 804320795 /nfs/dbraw/zinc/32/07/95/804320795.db2.gz KBMVZMPKJMRNHO-QGZVFWFLSA-N 1 3 286.463 3.438 20 0 CGADHO Clc1ccc(CCCCN[C@H]2CCC[NH2+]C2)cc1 ZINC001246412701 804326220 /nfs/dbraw/zinc/32/62/20/804326220.db2.gz KWQSLEHBARUQLB-HNNXBMFYSA-N 1 3 266.816 3.004 20 0 CGADHO C[C@H]1CC[C@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246430823 804329709 /nfs/dbraw/zinc/32/97/09/804329709.db2.gz SGOZVUKQTWZEBU-HOCLYGCPSA-N 1 3 258.409 3.044 20 0 CGADHO CC[C@@H]1CC[C@@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246431993 804330811 /nfs/dbraw/zinc/33/08/11/804330811.db2.gz VDWXTOOYJMJTMS-NVXWUHKLSA-N 1 3 272.436 3.434 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CCNCC2)C1 ZINC001246432802 804331459 /nfs/dbraw/zinc/33/14/59/804331459.db2.gz YBFPMMVNOPAVOC-UONOGXRCSA-N 1 3 276.399 3.183 20 0 CGADHO CC(C)(C)C1CCC(NC[C@@]2(C)CCC[NH2+]2)CC1 ZINC001246454215 804335541 /nfs/dbraw/zinc/33/55/41/804335541.db2.gz AUYCKTPLVXVCTO-ZBCRRDGASA-N 1 3 252.446 3.323 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246455114 804337640 /nfs/dbraw/zinc/33/76/40/804337640.db2.gz GVKHERRPUIHTTQ-SJORKVTESA-N 1 3 292.854 3.319 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(C)cc2)CCN1 ZINC001246457315 804337997 /nfs/dbraw/zinc/33/79/97/804337997.db2.gz SCQVAOUFNLHOJV-WMZOPIPTSA-N 1 3 274.452 3.438 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCN1 ZINC001246457225 804338187 /nfs/dbraw/zinc/33/81/87/804338187.db2.gz QMPLNMHNLVZPJQ-KURKYZTESA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@@H]1CC[NH2+]CC12CC2 ZINC001246472711 804348693 /nfs/dbraw/zinc/34/86/93/804348693.db2.gz ILNURTDXAKFSGM-XHDPSFHLSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCNCC12CC2 ZINC001246472711 804348702 /nfs/dbraw/zinc/34/87/02/804348702.db2.gz ILNURTDXAKFSGM-XHDPSFHLSA-N 1 3 296.817 3.142 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](C)CC[C@@H]2C)CCN1 ZINC001246492117 804358965 /nfs/dbraw/zinc/35/89/65/804358965.db2.gz ABAPPSJSAKSQDC-LEOABGAYSA-N 1 3 252.446 3.321 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001246498639 804362025 /nfs/dbraw/zinc/36/20/25/804362025.db2.gz WHSGFXSBZGVXMR-OWCVQMPJSA-N 1 3 272.436 3.128 20 0 CGADHO CCCOC1CCC(N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508227 804367086 /nfs/dbraw/zinc/36/70/86/804367086.db2.gz SBUWSOLKYAGRMH-OFLPRAFFSA-N 1 3 276.424 3.014 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514005 804369412 /nfs/dbraw/zinc/36/94/12/804369412.db2.gz ZKZLHXAJMAXVQF-BGTYHANMSA-N 1 3 272.436 3.443 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246517536 804371815 /nfs/dbraw/zinc/37/18/15/804371815.db2.gz MOBUGHCWQKSOEQ-HOTGVXAUSA-N 1 3 254.462 3.425 20 0 CGADHO CC[C@@H]1C[C@@H](N(C)CCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246519434 804372935 /nfs/dbraw/zinc/37/29/35/804372935.db2.gz OAPYRJMFMRQGPG-BCDXTJNWSA-N 1 3 274.452 3.470 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H](CC)C1CNC1 ZINC001246520122 804374300 /nfs/dbraw/zinc/37/43/00/804374300.db2.gz VAXSXDGCBZKSCO-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246519580 804374437 /nfs/dbraw/zinc/37/44/37/804374437.db2.gz SJJUGVVURGQKLP-MOPGFXCFSA-N 1 3 286.463 3.376 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@@H]([NH3+])CC1 ZINC001246546467 804396494 /nfs/dbraw/zinc/39/64/94/804396494.db2.gz MZPSXEOILMFJID-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO CCc1ccc(C[C@H](C)N2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001246549474 804399476 /nfs/dbraw/zinc/39/94/76/804399476.db2.gz JAZOYEOAYDPQEL-MAUKXSAKSA-N 1 3 274.452 3.111 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246556521 804406844 /nfs/dbraw/zinc/40/68/44/804406844.db2.gz HMUFJASUKSFRKE-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246556521 804406849 /nfs/dbraw/zinc/40/68/49/804406849.db2.gz HMUFJASUKSFRKE-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558273 804408161 /nfs/dbraw/zinc/40/81/61/804408161.db2.gz OUDAWLXSNAOQLN-JKSUJKDBSA-N 1 3 296.405 3.314 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558273 804408163 /nfs/dbraw/zinc/40/81/63/804408163.db2.gz OUDAWLXSNAOQLN-JKSUJKDBSA-N 1 3 296.405 3.314 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246560052 804408228 /nfs/dbraw/zinc/40/82/28/804408228.db2.gz RNMIHUUNYUOJFI-KFWWJZLASA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246560052 804408233 /nfs/dbraw/zinc/40/82/33/804408233.db2.gz RNMIHUUNYUOJFI-KFWWJZLASA-N 1 3 256.409 3.121 20 0 CGADHO CCCC[C@@H]1C[C@@H](N2CCC[C@@H](F)CC2)CC[NH2+]1 ZINC001246560052 804408236 /nfs/dbraw/zinc/40/82/36/804408236.db2.gz RNMIHUUNYUOJFI-KFWWJZLASA-N 1 3 256.409 3.121 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246569364 804417076 /nfs/dbraw/zinc/41/70/76/804417076.db2.gz CFLHLJIRAOEZKC-QXSJWSMHSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246569364 804417079 /nfs/dbraw/zinc/41/70/79/804417079.db2.gz CFLHLJIRAOEZKC-QXSJWSMHSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@@H](C)C2)CCN1 ZINC001246571161 804418977 /nfs/dbraw/zinc/41/89/77/804418977.db2.gz HRVVIWHMBZDVJX-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CCN1 ZINC001246571161 804418980 /nfs/dbraw/zinc/41/89/80/804418980.db2.gz HRVVIWHMBZDVJX-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246581718 804426315 /nfs/dbraw/zinc/42/63/15/804426315.db2.gz AIGSTIADUPGQOD-WBVHZDCISA-N 1 3 290.476 3.154 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246581718 804426318 /nfs/dbraw/zinc/42/63/18/804426318.db2.gz AIGSTIADUPGQOD-WBVHZDCISA-N 1 3 290.476 3.154 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN([C@H]2CSc3ccccc3C2)C1 ZINC001246581718 804426320 /nfs/dbraw/zinc/42/63/20/804426320.db2.gz AIGSTIADUPGQOD-WBVHZDCISA-N 1 3 290.476 3.154 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623535 804455534 /nfs/dbraw/zinc/45/55/34/804455534.db2.gz AOZUEHCJBNRLAL-OWSLCNJRSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc2c(c1)CCCC21CC[NH+](C2CCNCC2)CC1 ZINC001246623700 804456038 /nfs/dbraw/zinc/45/60/38/804456038.db2.gz MJTCRIJXYFYOOF-UHFFFAOYSA-N 1 3 284.447 3.109 20 0 CGADHO c1ccc2c(c1)CCCC21CCN(C2CC[NH2+]CC2)CC1 ZINC001246623700 804456043 /nfs/dbraw/zinc/45/60/43/804456043.db2.gz MJTCRIJXYFYOOF-UHFFFAOYSA-N 1 3 284.447 3.109 20 0 CGADHO CCc1ccc(C[C@@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246630981 804461309 /nfs/dbraw/zinc/46/13/09/804461309.db2.gz QKOYMHQDXZYHIT-APWZRJJASA-N 1 3 286.463 3.256 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246632493 804462096 /nfs/dbraw/zinc/46/20/96/804462096.db2.gz VXVJIQMEOTWDSJ-RHSMWYFYSA-N 1 3 292.854 3.347 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631872 804462200 /nfs/dbraw/zinc/46/22/00/804462200.db2.gz UALHDKOMPQBZKS-WNRNVDISSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631872 804462205 /nfs/dbraw/zinc/46/22/05/804462205.db2.gz UALHDKOMPQBZKS-WNRNVDISSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631872 804462208 /nfs/dbraw/zinc/46/22/08/804462208.db2.gz UALHDKOMPQBZKS-WNRNVDISSA-N 1 3 270.420 3.007 20 0 CGADHO CC(C)CC(CC(C)C)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246631239 804462233 /nfs/dbraw/zinc/46/22/33/804462233.db2.gz BWPNGJWCCUPSIC-GOEBONIOSA-N 1 3 252.446 3.131 20 0 CGADHO C1NCC12CC[N@@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246631815 804462708 /nfs/dbraw/zinc/46/27/08/804462708.db2.gz SRFMWVQFHNZWMX-UHFFFAOYSA-N 1 3 262.441 3.175 20 0 CGADHO C1NCC12CC[N@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001246631815 804462711 /nfs/dbraw/zinc/46/27/11/804462711.db2.gz SRFMWVQFHNZWMX-UHFFFAOYSA-N 1 3 262.441 3.175 20 0 CGADHO CCCCCC[C@@H](CC)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634038 804463990 /nfs/dbraw/zinc/46/39/90/804463990.db2.gz GUBOJCTVXRJUHH-QZTJIDSGSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@@H](CC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246634038 804463991 /nfs/dbraw/zinc/46/39/91/804463991.db2.gz GUBOJCTVXRJUHH-QZTJIDSGSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@@H](CC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246634038 804463992 /nfs/dbraw/zinc/46/39/92/804463992.db2.gz GUBOJCTVXRJUHH-QZTJIDSGSA-N 1 3 296.499 3.437 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)C[C@H](C)N1 ZINC001246648383 804475437 /nfs/dbraw/zinc/47/54/37/804475437.db2.gz XCFHLUPBJZMYDF-ALXJQNPVSA-N 1 3 298.474 3.495 20 0 CGADHO CC[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654540 804480627 /nfs/dbraw/zinc/48/06/27/804480627.db2.gz WKLMQICMZDCVRQ-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654540 804480629 /nfs/dbraw/zinc/48/06/29/804480629.db2.gz WKLMQICMZDCVRQ-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCCC[C@@]23CCC[NH2+]C3)C1 ZINC001246654540 804480632 /nfs/dbraw/zinc/48/06/32/804480632.db2.gz WKLMQICMZDCVRQ-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO CCC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246676306 804492029 /nfs/dbraw/zinc/49/20/29/804492029.db2.gz ZAAPOKMMEJYZER-YTQUADARSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246676306 804492033 /nfs/dbraw/zinc/49/20/33/804492033.db2.gz ZAAPOKMMEJYZER-YTQUADARSA-N 1 3 286.463 3.428 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773624 804504008 /nfs/dbraw/zinc/50/40/08/804504008.db2.gz BVVVPSIVUFGVFK-JQHSSLGASA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773624 804504015 /nfs/dbraw/zinc/50/40/15/804504015.db2.gz BVVVPSIVUFGVFK-JQHSSLGASA-N 1 3 272.436 3.082 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246791502 804515001 /nfs/dbraw/zinc/51/50/01/804515001.db2.gz KDLNHUDEINGWEK-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246791502 804515007 /nfs/dbraw/zinc/51/50/07/804515007.db2.gz KDLNHUDEINGWEK-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246791502 804515011 /nfs/dbraw/zinc/51/50/11/804515011.db2.gz KDLNHUDEINGWEK-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CCN(C3CC[NH2+]CC3)C2)c1 ZINC001246795835 804517511 /nfs/dbraw/zinc/51/75/11/804517511.db2.gz KLKOIGVLKMZKLM-ZDUSSCGKSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CC[N@@H+](C3CCNCC3)C2)c1 ZINC001246795835 804517514 /nfs/dbraw/zinc/51/75/14/804517514.db2.gz KLKOIGVLKMZKLM-ZDUSSCGKSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CC[N@H+](C3CCNCC3)C2)c1 ZINC001246795835 804517518 /nfs/dbraw/zinc/51/75/18/804517518.db2.gz KLKOIGVLKMZKLM-ZDUSSCGKSA-N 1 3 298.352 3.247 20 0 CGADHO COCC[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C1CCNCC1 ZINC001246838623 804546263 /nfs/dbraw/zinc/54/62/63/804546263.db2.gz ZBTKWMRDIDRMNA-HOTGVXAUSA-N 1 3 284.488 3.148 20 0 CGADHO COCC[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)C1CCNCC1 ZINC001246838623 804546270 /nfs/dbraw/zinc/54/62/70/804546270.db2.gz ZBTKWMRDIDRMNA-HOTGVXAUSA-N 1 3 284.488 3.148 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246845796 804554416 /nfs/dbraw/zinc/55/44/16/804554416.db2.gz LXSRINKTYKMMLS-QLFBSQMISA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246845796 804554418 /nfs/dbraw/zinc/55/44/18/804554418.db2.gz LXSRINKTYKMMLS-QLFBSQMISA-N 1 3 252.446 3.418 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844829 804554612 /nfs/dbraw/zinc/55/46/12/804554612.db2.gz CXFDQMVHSXRVLU-ZBFHGGJFSA-N 1 3 276.399 3.146 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844829 804554617 /nfs/dbraw/zinc/55/46/17/804554617.db2.gz CXFDQMVHSXRVLU-ZBFHGGJFSA-N 1 3 276.399 3.146 20 0 CGADHO COc1cccc([C@H]2CCCN2[C@@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246845417 804554992 /nfs/dbraw/zinc/55/49/92/804554992.db2.gz FZUKFSPDASGAPJ-NVXWUHKLSA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CCNC(C)(C)C2)c1 ZINC001246845417 804554999 /nfs/dbraw/zinc/55/49/99/804554999.db2.gz FZUKFSPDASGAPJ-NVXWUHKLSA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@H]2CCC[N@H+]2[C@@H]2CCNC(C)(C)C2)c1 ZINC001246845417 804555004 /nfs/dbraw/zinc/55/50/04/804555004.db2.gz FZUKFSPDASGAPJ-NVXWUHKLSA-N 1 3 288.435 3.363 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246847237 804556066 /nfs/dbraw/zinc/55/60/66/804556066.db2.gz RJTZFSONEDQTCJ-JKSUJKDBSA-N 1 3 278.827 3.011 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246847237 804556071 /nfs/dbraw/zinc/55/60/71/804556071.db2.gz RJTZFSONEDQTCJ-JKSUJKDBSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@@H]1C[C@@H](n2c3ccccc3nc2[C@@H]2CCCCN2)CC[NH2+]1 ZINC001246847779 804557845 /nfs/dbraw/zinc/55/78/45/804557845.db2.gz MORCPVFQZSWSIV-YCPHGPKFSA-N 1 3 298.434 3.164 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246849332 804560148 /nfs/dbraw/zinc/56/01/48/804560148.db2.gz ZRFLEKQFVOYWLT-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246849332 804560153 /nfs/dbraw/zinc/56/01/53/804560153.db2.gz ZRFLEKQFVOYWLT-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001246855170 804564052 /nfs/dbraw/zinc/56/40/52/804564052.db2.gz VGDLRLGQRUWCHT-TZMCWYRMSA-N 1 3 266.816 3.127 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870615 804571273 /nfs/dbraw/zinc/57/12/73/804571273.db2.gz YSZHKJCBGWPHOY-WCVJEAGWSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870615 804571281 /nfs/dbraw/zinc/57/12/81/804571281.db2.gz YSZHKJCBGWPHOY-WCVJEAGWSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870608 804571670 /nfs/dbraw/zinc/57/16/70/804571670.db2.gz YSZHKJCBGWPHOY-UGUYLWEFSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870608 804571674 /nfs/dbraw/zinc/57/16/74/804571674.db2.gz YSZHKJCBGWPHOY-UGUYLWEFSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CN(C2CCC3(CCc4ccccc43)CC2)C[C@@H]1[NH3+] ZINC001246882429 804577992 /nfs/dbraw/zinc/57/79/92/804577992.db2.gz QKGCZVVZMJJFJD-SEBYTVMXSA-N 1 3 284.447 3.092 20 0 CGADHO C[C@@H]1CC([N@H+](C)C(C)(C)Cc2ccccc2)C[C@@H](C)N1 ZINC001246890971 804583397 /nfs/dbraw/zinc/58/33/97/804583397.db2.gz IGHNQBMCSZRZQL-HUUCEWRRSA-N 1 3 274.452 3.469 20 0 CGADHO C[C@@H]1CC([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@@H](C)N1 ZINC001246890971 804583403 /nfs/dbraw/zinc/58/34/03/804583403.db2.gz IGHNQBMCSZRZQL-HUUCEWRRSA-N 1 3 274.452 3.469 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)C1(C)CCNCC1 ZINC001246905694 804589432 /nfs/dbraw/zinc/58/94/32/804589432.db2.gz FSBMXUDFTGRJBI-GFCCVEGCSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)C1(C)CCNCC1 ZINC001246905694 804589435 /nfs/dbraw/zinc/58/94/35/804589435.db2.gz FSBMXUDFTGRJBI-GFCCVEGCSA-N 1 3 298.833 3.484 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246906000 804589832 /nfs/dbraw/zinc/58/98/32/804589832.db2.gz CGPCUQKDDJVEOH-BCDXTJNWSA-N 1 3 272.436 3.490 20 0 CGADHO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246906000 804589838 /nfs/dbraw/zinc/58/98/38/804589838.db2.gz CGPCUQKDDJVEOH-BCDXTJNWSA-N 1 3 272.436 3.490 20 0 CGADHO CC[N@@H+](Cc1ccc(C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246906000 804589842 /nfs/dbraw/zinc/58/98/42/804589842.db2.gz CGPCUQKDDJVEOH-BCDXTJNWSA-N 1 3 272.436 3.490 20 0 CGADHO CC[C@H]1C[C@H](N(CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906266 804591528 /nfs/dbraw/zinc/59/15/28/804591528.db2.gz DLWXMBPPLXTLJG-DLBZAZTESA-N 1 3 260.425 3.348 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246908121 804593577 /nfs/dbraw/zinc/59/35/77/804593577.db2.gz LHVKLLCEJMQKSB-JWTNVVGKSA-N 1 3 270.420 3.184 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246937888 804608174 /nfs/dbraw/zinc/60/81/74/804608174.db2.gz NIILJJDFPUMWQQ-VYDXJSESSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246937888 804608179 /nfs/dbraw/zinc/60/81/79/804608179.db2.gz NIILJJDFPUMWQQ-VYDXJSESSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+](C[C@H]1CCCNC1)C1CC1)CC2 ZINC001246975053 804623791 /nfs/dbraw/zinc/62/37/91/804623791.db2.gz RZBMJXPNKDRFQV-JXFKEZNVSA-N 1 3 298.474 3.316 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+](C[C@H]1CCCNC1)C1CC1)CC2 ZINC001246975053 804623796 /nfs/dbraw/zinc/62/37/96/804623796.db2.gz RZBMJXPNKDRFQV-JXFKEZNVSA-N 1 3 298.474 3.316 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004340 804635534 /nfs/dbraw/zinc/63/55/34/804635534.db2.gz OYICGPJAGBBZQH-SJORKVTESA-N 1 3 290.426 3.363 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004340 804635538 /nfs/dbraw/zinc/63/55/38/804635538.db2.gz OYICGPJAGBBZQH-SJORKVTESA-N 1 3 290.426 3.363 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@@](C)(C[NH3+])C1 ZINC001247006257 804637173 /nfs/dbraw/zinc/63/71/73/804637173.db2.gz XMSMJNBPDTWMGW-BBRMVZONSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C[C@H](C)O1 ZINC001257080159 807046100 /nfs/dbraw/zinc/04/61/00/807046100.db2.gz HYZNKVMPWXFEEL-STQMWFEESA-N 1 3 282.472 3.183 20 0 CGADHO CCC[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001257311287 807100269 /nfs/dbraw/zinc/10/02/69/807100269.db2.gz LFBZMARGMXDSBO-OAHLLOKOSA-N 1 3 275.440 3.072 20 0 CGADHO CCCC(CCC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257332374 807112225 /nfs/dbraw/zinc/11/22/25/807112225.db2.gz UMSFDJNSNFYDRL-QAQDUYKDSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H](C)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001257446499 807161300 /nfs/dbraw/zinc/16/13/00/807161300.db2.gz NJOCWEWSDHBVCP-RYQLBKOJSA-N 1 3 272.436 3.239 20 0 CGADHO CC[C@H](C)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001257446499 807161302 /nfs/dbraw/zinc/16/13/02/807161302.db2.gz NJOCWEWSDHBVCP-RYQLBKOJSA-N 1 3 272.436 3.239 20 0 CGADHO CCCCC[C@H](C)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257520224 807193324 /nfs/dbraw/zinc/19/33/24/807193324.db2.gz ROKYFIGTVFCPGB-HRCADAONSA-N 1 3 252.446 3.229 20 0 CGADHO CCCCC[C@H](C)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257520224 807193327 /nfs/dbraw/zinc/19/33/27/807193327.db2.gz ROKYFIGTVFCPGB-HRCADAONSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001258008646 807264806 /nfs/dbraw/zinc/26/48/06/807264806.db2.gz BFTKOAJNIJONDQ-SFHVURJKSA-N 1 3 287.451 3.169 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001258006031 807264837 /nfs/dbraw/zinc/26/48/37/807264837.db2.gz DAMLIWWHYREWPC-ROUUACIJSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)CN1CCC([N@H+](C)CCc2ccccc2F)CC1 ZINC001258018545 807266912 /nfs/dbraw/zinc/26/69/12/807266912.db2.gz PJXRABFYVDYWNG-UHFFFAOYSA-N 1 3 292.442 3.420 20 0 CGADHO CC(C)CN1CCC([N@@H+](C)CCc2ccccc2F)CC1 ZINC001258018545 807266915 /nfs/dbraw/zinc/26/69/15/807266915.db2.gz PJXRABFYVDYWNG-UHFFFAOYSA-N 1 3 292.442 3.420 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167911672 807273033 /nfs/dbraw/zinc/27/30/33/807273033.db2.gz CTVAUMGIRCALRV-NHAGDIPZSA-N 1 3 250.430 3.028 20 0 CGADHO [NH3+]C1(c2ccc(Cl)cc2)CCN([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917685 807274114 /nfs/dbraw/zinc/27/41/14/807274114.db2.gz BMPYUOWOECNMCX-VIKVFOODSA-N 1 3 290.838 3.388 20 0 CGADHO CSC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995713 807294684 /nfs/dbraw/zinc/29/46/84/807294684.db2.gz OSLNZCDOZLRRIA-XYPWUTKMSA-N 1 3 294.508 3.219 20 0 CGADHO CSC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995713 807294689 /nfs/dbraw/zinc/29/46/89/807294689.db2.gz OSLNZCDOZLRRIA-XYPWUTKMSA-N 1 3 294.508 3.219 20 0 CGADHO CSC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167995713 807294695 /nfs/dbraw/zinc/29/46/95/807294695.db2.gz OSLNZCDOZLRRIA-XYPWUTKMSA-N 1 3 294.508 3.219 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168151993 807327931 /nfs/dbraw/zinc/32/79/31/807327931.db2.gz CLCIWLVRVIFUKT-CYBMUJFWSA-N 1 3 268.832 3.332 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168151993 807327939 /nfs/dbraw/zinc/32/79/39/807327939.db2.gz CLCIWLVRVIFUKT-CYBMUJFWSA-N 1 3 268.832 3.332 20 0 CGADHO CC[N@H+](C)C1CCN([C@H](C)CC(C)(C)SC)CC1 ZINC001258350062 807423788 /nfs/dbraw/zinc/42/37/88/807423788.db2.gz VMBUVLCEGSQMSQ-CYBMUJFWSA-N 1 3 272.502 3.323 20 0 CGADHO CC[N@@H+](C)C1CCN([C@H](C)CC(C)(C)SC)CC1 ZINC001258350062 807423791 /nfs/dbraw/zinc/42/37/91/807423791.db2.gz VMBUVLCEGSQMSQ-CYBMUJFWSA-N 1 3 272.502 3.323 20 0 CGADHO CCN(C)C1CC[NH+]([C@H](C)CC(C)(C)SC)CC1 ZINC001258350062 807423792 /nfs/dbraw/zinc/42/37/92/807423792.db2.gz VMBUVLCEGSQMSQ-CYBMUJFWSA-N 1 3 272.502 3.323 20 0 CGADHO CCC[C@H](Cc1ccccc1)N1CCC(C)([NH3+])CC1 ZINC001258651909 807523401 /nfs/dbraw/zinc/52/34/01/807523401.db2.gz JMDJVARNKYUWCF-MRXNPFEDSA-N 1 3 260.425 3.211 20 0 CGADHO COCCC1(N)CC[NH+]([C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001258691589 807546772 /nfs/dbraw/zinc/54/67/72/807546772.db2.gz GSZCIVKMXKZHNL-LSDHHAIUSA-N 1 3 282.472 3.031 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)F)c1)C2 ZINC001169094021 807574122 /nfs/dbraw/zinc/57/41/22/807574122.db2.gz KCEWSEBBVOGBFT-QDMKHBRRSA-N 1 3 280.362 3.339 20 0 CGADHO CSc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169096860 807574309 /nfs/dbraw/zinc/57/43/09/807574309.db2.gz ZDDCVZLRUBCSMS-QKDCVEJESA-N 1 3 276.449 3.123 20 0 CGADHO CCC[NH+]1CCC(NC2(Cc3ccccc3F)CC2)CC1 ZINC001258769974 807604059 /nfs/dbraw/zinc/60/40/59/807604059.db2.gz ATSHQQVOVPSGOI-UHFFFAOYSA-N 1 3 290.426 3.365 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258798803 807620209 /nfs/dbraw/zinc/62/02/09/807620209.db2.gz YWUIXFVJMXPIGK-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([N@H+](C)C3CCOCC3)CC2)C1 ZINC001258825439 807639563 /nfs/dbraw/zinc/63/95/63/807639563.db2.gz CSKUGEMPKBDDNL-MAUKXSAKSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825439 807639567 /nfs/dbraw/zinc/63/95/67/807639567.db2.gz CSKUGEMPKBDDNL-MAUKXSAKSA-N 1 3 294.483 3.140 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cn(C(C)C)cn1 ZINC001258904571 807671263 /nfs/dbraw/zinc/67/12/63/807671263.db2.gz IGSXYENMQFBLGP-OAHLLOKOSA-N 1 3 280.460 3.064 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001170110326 807760653 /nfs/dbraw/zinc/76/06/53/807760653.db2.gz XELJRNQTIQTFPK-CHWSQXEVSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCO1 ZINC001170179548 807787012 /nfs/dbraw/zinc/78/70/12/807787012.db2.gz WNAHFDIFLOTOCS-HIFRSBDPSA-N 1 3 282.472 3.185 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170974018 807948849 /nfs/dbraw/zinc/94/88/49/807948849.db2.gz VFLNMUCADFOCLW-ARFHVFGLSA-N 1 3 290.426 3.145 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171098084 807982767 /nfs/dbraw/zinc/98/27/67/807982767.db2.gz BPWOWELNZAPZDI-IRXDYDNUSA-N 1 3 292.854 3.271 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2CC23CCC3)CC1(C)C ZINC001171627162 808108406 /nfs/dbraw/zinc/10/84/06/808108406.db2.gz MTHFJXLELIYTQE-CYBMUJFWSA-N 1 3 250.430 3.170 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H]2CF)CC1(C)C ZINC001171644902 808111621 /nfs/dbraw/zinc/11/16/21/808111621.db2.gz UDDHNWNXKKSCDB-GFCCVEGCSA-N 1 3 256.409 3.072 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H]2CF)CC1(C)C ZINC001171644902 808111623 /nfs/dbraw/zinc/11/16/23/808111623.db2.gz UDDHNWNXKKSCDB-GFCCVEGCSA-N 1 3 256.409 3.072 20 0 CGADHO CCc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100213 808171904 /nfs/dbraw/zinc/17/19/04/808171904.db2.gz BFEKWCBUDYLYCR-NNZMDNLPSA-N 1 3 272.436 3.354 20 0 CGADHO CCc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100213 808171906 /nfs/dbraw/zinc/17/19/06/808171906.db2.gz BFEKWCBUDYLYCR-NNZMDNLPSA-N 1 3 272.436 3.354 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107023 808175965 /nfs/dbraw/zinc/17/59/65/808175965.db2.gz SINUXNKMGOWLML-NXOAAHMSSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107023 808175970 /nfs/dbraw/zinc/17/59/70/808175970.db2.gz SINUXNKMGOWLML-NXOAAHMSSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccn1 ZINC001172106467 808177139 /nfs/dbraw/zinc/17/71/39/808177139.db2.gz PAYMZQFXAWRSMI-QKPAOTATSA-N 1 3 273.424 3.138 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCc3ccsc3C1)C2 ZINC001172125945 808186790 /nfs/dbraw/zinc/18/67/90/808186790.db2.gz SEDNQAWCAQFUTJ-QDMKHBRRSA-N 1 3 276.449 3.122 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCc3ccsc3C1)C2 ZINC001172125945 808186793 /nfs/dbraw/zinc/18/67/93/808186793.db2.gz SEDNQAWCAQFUTJ-QDMKHBRRSA-N 1 3 276.449 3.122 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2CSc3ccccc3C2)CC1 ZINC001172190757 808193143 /nfs/dbraw/zinc/19/31/43/808193143.db2.gz NAUIYFBJXDSQEM-INIZCTEOSA-N 1 3 290.476 3.167 20 0 CGADHO CC(C)OCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001172432449 808310763 /nfs/dbraw/zinc/31/07/63/808310763.db2.gz AZZRFPCGQSPVIQ-HZPDHXFCSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537870 808371350 /nfs/dbraw/zinc/37/13/50/808371350.db2.gz WWRCZNQEESYMMS-USXIJHARSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537870 808371358 /nfs/dbraw/zinc/37/13/58/808371358.db2.gz WWRCZNQEESYMMS-USXIJHARSA-N 1 3 260.425 3.239 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172925539 808483328 /nfs/dbraw/zinc/48/33/28/808483328.db2.gz FXWMCYTVOCHGOI-WBVHZDCISA-N 1 3 282.472 3.187 20 0 CGADHO CC[NH+](CC)C1CCC(NCc2csc(C)n2)CC1 ZINC001173103469 808510417 /nfs/dbraw/zinc/51/04/17/808510417.db2.gz CNARCMSKDUFING-UHFFFAOYSA-N 1 3 281.469 3.194 20 0 CGADHO CCc1ccc(C[C@@H](C)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001173242301 808550738 /nfs/dbraw/zinc/55/07/38/808550738.db2.gz BYMNVTOBCWOVRF-ATZDWAIDSA-N 1 3 286.463 3.064 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC001275890304 808973971 /nfs/dbraw/zinc/97/39/71/808973971.db2.gz AXTXPJJNKILTKZ-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC001275890304 808973975 /nfs/dbraw/zinc/97/39/75/808973975.db2.gz AXTXPJJNKILTKZ-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3c(C)[nH]c4ncccc34)(C1)CCC2 ZINC001276078897 808987450 /nfs/dbraw/zinc/98/74/50/808987450.db2.gz YVUQUDKJDJTVNC-ZWKOTPCHSA-N 1 3 298.434 3.026 20 0 CGADHO CCc1cccc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001176281861 809659279 /nfs/dbraw/zinc/65/92/79/809659279.db2.gz QMFCXYOKHXPISI-MRXNPFEDSA-N 1 3 295.430 3.355 20 0 CGADHO CS[C@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001178620623 809880287 /nfs/dbraw/zinc/88/02/87/809880287.db2.gz RGNNHOLOQACRIV-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001197031576 811390753 /nfs/dbraw/zinc/39/07/53/811390753.db2.gz MHPHQHUTUQNFGO-MDASCCDHSA-N 1 3 284.447 3.262 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC001197031576 811390764 /nfs/dbraw/zinc/39/07/64/811390764.db2.gz MHPHQHUTUQNFGO-MDASCCDHSA-N 1 3 284.447 3.262 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CC[C@@H](C)SC1 ZINC001198901552 811551162 /nfs/dbraw/zinc/55/11/62/811551162.db2.gz WTUZHWXCSJNUOP-HUUCEWRRSA-N 1 3 272.502 3.372 20 0 CGADHO CC(C)CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626961 811924595 /nfs/dbraw/zinc/92/45/95/811924595.db2.gz QQDFQGSJWZVJJZ-OALUTQOASA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626961 811924597 /nfs/dbraw/zinc/92/45/97/811924597.db2.gz QQDFQGSJWZVJJZ-OALUTQOASA-N 1 3 286.463 3.486 20 0 CGADHO Cc1cc(C)c(/C=C/C[NH2+]C[C@H](C)CN(C)C)c(C)c1 ZINC001202588023 812128983 /nfs/dbraw/zinc/12/89/83/812128983.db2.gz YQOBWFZARLJSBU-KIUWMYQTSA-N 1 3 274.452 3.412 20 0 CGADHO c1ccc(CN2CC3(C2)CC[NH+](CC2CCC2)CC3)cc1 ZINC001202763021 812169269 /nfs/dbraw/zinc/16/92/69/812169269.db2.gz VIWVTPKZKGIQGB-UHFFFAOYSA-N 1 3 284.447 3.385 20 0 CGADHO [NH3+]CCCCCCN1CCc2ccc(Cl)cc2C1 ZINC001204853907 812755022 /nfs/dbraw/zinc/75/50/22/812755022.db2.gz AOAYIPVUHMGKNE-UHFFFAOYSA-N 1 3 266.816 3.217 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc3ccnc(Cl)c3c2)CC1 ZINC001205047204 812838550 /nfs/dbraw/zinc/83/85/50/812838550.db2.gz RGFTWFLSMXFGIT-UHFFFAOYSA-N 1 3 289.810 3.059 20 0 CGADHO COc1cc(C)c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1C ZINC001205305013 812943918 /nfs/dbraw/zinc/94/39/18/812943918.db2.gz QMWBQQJKSDFAQB-WBMJQRKESA-N 1 3 290.451 3.037 20 0 CGADHO C[C@@H]1CCN(Cc2csc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205626760 813032652 /nfs/dbraw/zinc/03/26/52/813032652.db2.gz IXPVXXXAIIZGDQ-ZYHUDNBSSA-N 1 3 272.845 3.208 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829964 813100933 /nfs/dbraw/zinc/10/09/33/813100933.db2.gz QDTXNFPZYLFIFA-BXUZGUMPSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829964 813100934 /nfs/dbraw/zinc/10/09/34/813100934.db2.gz QDTXNFPZYLFIFA-BXUZGUMPSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1CCCc1ccccc1Cl ZINC001205901270 813122278 /nfs/dbraw/zinc/12/22/78/813122278.db2.gz CDXQPYBGTDVVRK-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC001205901615 813123494 /nfs/dbraw/zinc/12/34/94/813123494.db2.gz DROJKBBJZBKPRD-AAEUAGOBSA-N 1 3 286.341 3.265 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1csc2ccccc12 ZINC001205901972 813125134 /nfs/dbraw/zinc/12/51/34/813125134.db2.gz GNFQWYOUSRNUEY-STQMWFEESA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(-c2ccccn2)c1 ZINC001205913250 813129244 /nfs/dbraw/zinc/12/92/44/813129244.db2.gz IAZYATFZOQBCBH-CRAIPNDOSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cccc(-c2ccccn2)c1 ZINC001205913253 813129485 /nfs/dbraw/zinc/12/94/85/813129485.db2.gz IAZYATFZOQBCBH-QAPCUYQASA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)o2)CCC[C@H]1C[NH3+] ZINC001206015045 813166185 /nfs/dbraw/zinc/16/61/85/813166185.db2.gz ZSBPMHFEKMVYHG-MNOVXSKESA-N 1 3 290.329 3.105 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CNC3)C[C@H]1C ZINC001206109546 813201428 /nfs/dbraw/zinc/20/14/28/813201428.db2.gz BIZLAXSGRMSNSX-ZIAGYGMSSA-N 1 3 258.409 3.158 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CNC3)C[C@H]1C ZINC001206109546 813201431 /nfs/dbraw/zinc/20/14/31/813201431.db2.gz BIZLAXSGRMSNSX-ZIAGYGMSSA-N 1 3 258.409 3.158 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C[C@H]1C ZINC001206110456 813203380 /nfs/dbraw/zinc/20/33/80/813203380.db2.gz XYPGKEJIDAOFNU-CHWSQXEVSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C[C@H]1C ZINC001206110456 813203388 /nfs/dbraw/zinc/20/33/88/813203388.db2.gz XYPGKEJIDAOFNU-CHWSQXEVSA-N 1 3 278.465 3.262 20 0 CGADHO Cc1ccc(CN2CCC[C@](C)(C[NH3+])CC2)c(F)c1F ZINC001206304452 813279772 /nfs/dbraw/zinc/27/97/72/813279772.db2.gz KWOWGEDXFNEVSU-INIZCTEOSA-N 1 3 282.378 3.224 20 0 CGADHO NC[C@@]1(F)CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370867 813305180 /nfs/dbraw/zinc/30/51/80/813305180.db2.gz PJRBLTARKLPBQE-SFHVURJKSA-N 1 3 286.394 3.444 20 0 CGADHO NC[C@@]1(F)CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370867 813305188 /nfs/dbraw/zinc/30/51/88/813305188.db2.gz PJRBLTARKLPBQE-SFHVURJKSA-N 1 3 286.394 3.444 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2cccc3ncsc32)C1 ZINC001206563687 813354316 /nfs/dbraw/zinc/35/43/16/813354316.db2.gz HBQCYTDFTAFTPA-MRXNPFEDSA-N 1 3 289.448 3.247 20 0 CGADHO Cc1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)s1 ZINC001206583417 813364722 /nfs/dbraw/zinc/36/47/22/813364722.db2.gz UMBZDPHJCWTOPK-CQSZACIVSA-N 1 3 266.454 3.409 20 0 CGADHO CCOc1cccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206592212 813367478 /nfs/dbraw/zinc/36/74/78/813367478.db2.gz YJAUIORANHDGPP-KRWDZBQOSA-N 1 3 290.451 3.438 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001206606335 813371909 /nfs/dbraw/zinc/37/19/09/813371909.db2.gz LDVJUYKFVSPGQH-KRWDZBQOSA-N 1 3 274.452 3.413 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001206606335 813371917 /nfs/dbraw/zinc/37/19/17/813371917.db2.gz LDVJUYKFVSPGQH-KRWDZBQOSA-N 1 3 274.452 3.413 20 0 CGADHO Cc1ccc([C@@H](C)CCN2CCCC[C@@H](C[NH3+])C2)o1 ZINC001206606144 813373258 /nfs/dbraw/zinc/37/32/58/813373258.db2.gz FMIPFBHNMNHTDJ-ZFWWWQNUSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@H](CN)C2)o1 ZINC001206606144 813373263 /nfs/dbraw/zinc/37/32/63/813373263.db2.gz FMIPFBHNMNHTDJ-ZFWWWQNUSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@H](CN)C2)o1 ZINC001206606144 813373271 /nfs/dbraw/zinc/37/32/71/813373271.db2.gz FMIPFBHNMNHTDJ-ZFWWWQNUSA-N 1 3 264.413 3.142 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001206760307 813425549 /nfs/dbraw/zinc/42/55/49/813425549.db2.gz COLJUKLMVDBJCQ-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760307 813425552 /nfs/dbraw/zinc/42/55/52/813425552.db2.gz COLJUKLMVDBJCQ-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])CN1CCCc1cccc(Cl)c1 ZINC001206760307 813425557 /nfs/dbraw/zinc/42/55/57/813425557.db2.gz COLJUKLMVDBJCQ-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO F[C@@H]1CCCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291501 813535951 /nfs/dbraw/zinc/53/59/51/813535951.db2.gz QDZJUXXQEPEORH-GOSISDBHSA-N 1 3 290.426 3.333 20 0 CGADHO CC[NH+]1C[C@H]2CN(CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207597853 813607031 /nfs/dbraw/zinc/60/70/31/813607031.db2.gz STRWRTNNBCLPRE-HOTGVXAUSA-N 1 3 292.854 3.156 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001207836236 813658377 /nfs/dbraw/zinc/65/83/77/813658377.db2.gz HUKWPOWGGNCXIQ-JJAZEVLHSA-N 1 3 292.854 3.201 20 0 CGADHO CC[NH+]1CCC(CN2CCc3ccc(Cl)cc3C2)CC1 ZINC001208595473 813769083 /nfs/dbraw/zinc/76/90/83/813769083.db2.gz UGDAADOUJZVXFE-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142202 816357871 /nfs/dbraw/zinc/35/78/71/816357871.db2.gz WSMMHRZWHUGQNY-IAGOWNOFSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142202 816357877 /nfs/dbraw/zinc/35/78/77/816357877.db2.gz WSMMHRZWHUGQNY-IAGOWNOFSA-N 1 3 264.457 3.444 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC001222543197 816464923 /nfs/dbraw/zinc/46/49/23/816464923.db2.gz QXMVQYGKJLYSOC-UHFFFAOYSA-N 1 3 288.366 3.209 20 0 CGADHO Cc1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)sn1 ZINC001233312482 818574958 /nfs/dbraw/zinc/57/49/58/818574958.db2.gz VFVCIRXLCSQQMT-UHFFFAOYSA-N 1 3 293.480 3.005 20 0 CGADHO Cc1cccc(CN2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235041773 818989004 /nfs/dbraw/zinc/98/90/04/818989004.db2.gz SJXCXLKPUMYNDI-QGZVFWFLSA-N 1 3 258.409 3.103 20 0 CGADHO CC(C)(CC[N@@H+]1C[C@H]2CCCN[C@H]2C1)c1ccccc1 ZINC001235209275 819037202 /nfs/dbraw/zinc/03/72/02/819037202.db2.gz LKURHZYAOSHABP-WBVHZDCISA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)(CC[N@H+]1C[C@H]2CCCN[C@H]2C1)c1ccccc1 ZINC001235209275 819037205 /nfs/dbraw/zinc/03/72/05/819037205.db2.gz LKURHZYAOSHABP-WBVHZDCISA-N 1 3 272.436 3.038 20 0 CGADHO CCc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)o1 ZINC001235232687 819041967 /nfs/dbraw/zinc/04/19/67/819041967.db2.gz ZOAIWKKXNMSAAL-KRWDZBQOSA-N 1 3 276.424 3.196 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CNCC[C@H]21 ZINC001235262432 819056329 /nfs/dbraw/zinc/05/63/29/819056329.db2.gz RDLGVXPWLXVOSD-ARFHVFGLSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CNCC[C@H]21 ZINC001235262432 819056333 /nfs/dbraw/zinc/05/63/33/819056333.db2.gz RDLGVXPWLXVOSD-ARFHVFGLSA-N 1 3 250.430 3.053 20 0 CGADHO c1ccc(C2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235442174 819099719 /nfs/dbraw/zinc/09/97/19/819099719.db2.gz RVHAPJVYNLJHEM-SFHVURJKSA-N 1 3 272.436 3.398 20 0 CGADHO Fc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235701337 819145501 /nfs/dbraw/zinc/14/55/01/819145501.db2.gz GRSBVXBYZCOVJM-UHFFFAOYSA-N 1 3 276.399 3.037 20 0 CGADHO CC1=CC[C@@H](CCN2CCCC3(C[NH2+]C3)C2)C1(C)C ZINC001235712036 819148917 /nfs/dbraw/zinc/14/89/17/819148917.db2.gz YGUBATBWMNUUBW-HNNXBMFYSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCCC3(CNC3)C2)C1(C)C ZINC001235712036 819148921 /nfs/dbraw/zinc/14/89/21/819148921.db2.gz YGUBATBWMNUUBW-HNNXBMFYSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCCC3(CNC3)C2)C1(C)C ZINC001235712036 819148923 /nfs/dbraw/zinc/14/89/23/819148923.db2.gz YGUBATBWMNUUBW-HNNXBMFYSA-N 1 3 262.441 3.054 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001235751060 819160490 /nfs/dbraw/zinc/16/04/90/819160490.db2.gz VFXHMJMCJGNXKY-OAHLLOKOSA-N 1 3 284.378 3.273 20 0 CGADHO CCCCc1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235808801 819172855 /nfs/dbraw/zinc/17/28/55/819172855.db2.gz GZXDUNAASSXENW-BCDXTJNWSA-N 1 3 272.436 3.483 20 0 CGADHO CC1(C)CCc2cc(CN3CCC[C@H]3CC[NH3+])ccc2O1 ZINC001235924907 819223270 /nfs/dbraw/zinc/22/32/70/819223270.db2.gz BTQGGJMOAYNKBR-INIZCTEOSA-N 1 3 288.435 3.103 20 0 CGADHO c1ccc(-c2ccc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235929836 819228032 /nfs/dbraw/zinc/22/80/32/819228032.db2.gz UXEVPOYDDQMWLK-UXHICEINSA-N 1 3 292.426 3.395 20 0 CGADHO c1cc(-c2ccccc2)sc1CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939871 819234455 /nfs/dbraw/zinc/23/44/55/819234455.db2.gz QTRDCJIMVLWYIE-CVEARBPZSA-N 1 3 298.455 3.456 20 0 CGADHO NCc1ccc(-c2cccc(C[NH+]3CCCCC3)c2F)cn1 ZINC001236012698 819275746 /nfs/dbraw/zinc/27/57/46/819275746.db2.gz SIUBDWAWUQOJNS-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO C[NH2+]C[C@@H]1CCN(Cc2sc3ccccc3c2C)C1 ZINC001236066011 819298387 /nfs/dbraw/zinc/29/83/87/819298387.db2.gz GAHZPDRVKAJADK-ZDUSSCGKSA-N 1 3 274.433 3.251 20 0 CGADHO C[NH2+]C[C@@H]1CCN(Cc2ccc(C)c3ccccc23)C1 ZINC001236068282 819298882 /nfs/dbraw/zinc/29/88/82/819298882.db2.gz XOLUXFNFDLWPHJ-HNNXBMFYSA-N 1 3 268.404 3.190 20 0 CGADHO CN(Cc1ccc(F)cc1F)CC1CC2(C1)CC[NH2+]CC2 ZINC001236072729 819301697 /nfs/dbraw/zinc/30/16/97/819301697.db2.gz WGTUSDWMTIVSDS-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO Clc1cccc2c1CN(CC[C@@H]1CCC[NH2+]C1)CC2 ZINC001236078695 819304204 /nfs/dbraw/zinc/30/42/04/819304204.db2.gz LHGCNBCYDRJSNB-ZDUSSCGKSA-N 1 3 278.827 3.088 20 0 CGADHO Cc1ccc2c(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c[nH]c2c1 ZINC001236210489 819373019 /nfs/dbraw/zinc/37/30/19/819373019.db2.gz CWSVIIAKVIBUGP-RDJZCZTQSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2c(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c[nH]c2c1 ZINC001236210489 819373024 /nfs/dbraw/zinc/37/30/24/819373024.db2.gz CWSVIIAKVIBUGP-RDJZCZTQSA-N 1 3 271.408 3.178 20 0 CGADHO CCN(CCC1C[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC001236267002 819409955 /nfs/dbraw/zinc/40/99/55/819409955.db2.gz VCAGMWFFTMMINR-UHFFFAOYSA-N 1 3 287.234 3.425 20 0 CGADHO CCC(=O)C(C)(C)C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236371271 819439952 /nfs/dbraw/zinc/43/99/52/819439952.db2.gz JNAOWZCYAPBZPH-OAHLLOKOSA-N 1 3 294.483 3.236 20 0 CGADHO CCC(=O)C(C)(C)C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236371271 819439953 /nfs/dbraw/zinc/43/99/53/819439953.db2.gz JNAOWZCYAPBZPH-OAHLLOKOSA-N 1 3 294.483 3.236 20 0 CGADHO Nc1ccccc1CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374520 819442276 /nfs/dbraw/zinc/44/22/76/819442276.db2.gz DKJSZEQJVOUWEC-OAHLLOKOSA-N 1 3 287.451 3.013 20 0 CGADHO Nc1ccccc1C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236374520 819442282 /nfs/dbraw/zinc/44/22/82/819442282.db2.gz DKJSZEQJVOUWEC-OAHLLOKOSA-N 1 3 287.451 3.013 20 0 CGADHO Nc1ccccc1C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236374520 819442285 /nfs/dbraw/zinc/44/22/85/819442285.db2.gz DKJSZEQJVOUWEC-OAHLLOKOSA-N 1 3 287.451 3.013 20 0 CGADHO CCOC(C)(C)C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373496 819443027 /nfs/dbraw/zinc/44/30/27/819443027.db2.gz XSCNAISHHPILMO-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO CCOC(C)(C)C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373496 819443029 /nfs/dbraw/zinc/44/30/29/819443029.db2.gz XSCNAISHHPILMO-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CCCc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236407505 819454239 /nfs/dbraw/zinc/45/42/39/819454239.db2.gz DXHJVLCNNUTZAV-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCOCC[N@H+](CCCC1CCCCC1)C1CCNCC1 ZINC001236459826 819486394 /nfs/dbraw/zinc/48/63/94/819486394.db2.gz GCDWOPSVOLXLTF-UHFFFAOYSA-N 1 3 296.499 3.437 20 0 CGADHO CCOCC[N@@H+](CCCC1CCCCC1)C1CCNCC1 ZINC001236459826 819486398 /nfs/dbraw/zinc/48/63/98/819486398.db2.gz GCDWOPSVOLXLTF-UHFFFAOYSA-N 1 3 296.499 3.437 20 0 CGADHO CCOCCN(CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC001236459826 819486403 /nfs/dbraw/zinc/48/64/03/819486403.db2.gz GCDWOPSVOLXLTF-UHFFFAOYSA-N 1 3 296.499 3.437 20 0 CGADHO Cc1cccc(CN2CCC(C[NH+](C)C)CC2)c1Cl ZINC001236852902 819623365 /nfs/dbraw/zinc/62/33/65/819623365.db2.gz FVOKBEHKWXAZJS-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO CC[C@H](N)C[N@H+](C)CCCc1cccc(C(F)(F)F)c1 ZINC001236858354 819624532 /nfs/dbraw/zinc/62/45/32/819624532.db2.gz BJPVNTNFNWHNEE-AWEZNQCLSA-N 1 3 288.357 3.307 20 0 CGADHO CC[C@H](N)C[N@@H+](C)CCCc1cccc(C(F)(F)F)c1 ZINC001236858354 819624536 /nfs/dbraw/zinc/62/45/36/819624536.db2.gz BJPVNTNFNWHNEE-AWEZNQCLSA-N 1 3 288.357 3.307 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(F)c3ccoc31)CC2 ZINC001236901922 819635469 /nfs/dbraw/zinc/63/54/69/819635469.db2.gz RQWFLRCMJFACLV-UHFFFAOYSA-N 1 3 288.366 3.100 20 0 CGADHO CC(C)c1ccccc1CN1CCC[C@](C)(C[NH3+])C1 ZINC001237081800 819662629 /nfs/dbraw/zinc/66/26/29/819662629.db2.gz MORJVZGZXMUDSF-QGZVFWFLSA-N 1 3 260.425 3.371 20 0 CGADHO CSc1cc(C)cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC001238682817 820083311 /nfs/dbraw/zinc/08/33/11/820083311.db2.gz PHPONOONTLUORL-KRWDZBQOSA-N 1 3 290.476 3.245 20 0 CGADHO CSc1cc(C)cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC001238682817 820083322 /nfs/dbraw/zinc/08/33/22/820083322.db2.gz PHPONOONTLUORL-KRWDZBQOSA-N 1 3 290.476 3.245 20 0 CGADHO NCc1ccc(-c2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC001240168013 820867143 /nfs/dbraw/zinc/86/71/43/820867143.db2.gz AMCMAEWCSXPERQ-UHFFFAOYSA-N 1 3 281.403 3.193 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713124 821268625 /nfs/dbraw/zinc/26/86/25/821268625.db2.gz XYBONRXYCUZOSV-OAHLLOKOSA-N 1 3 291.398 3.368 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713124 821268629 /nfs/dbraw/zinc/26/86/29/821268629.db2.gz XYBONRXYCUZOSV-OAHLLOKOSA-N 1 3 291.398 3.368 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC001460701885 937541298 /nfs/dbraw/zinc/54/12/98/937541298.db2.gz BQVCNXHWMXFVAH-IKGGRYGDSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)C1 ZINC001460701885 937541299 /nfs/dbraw/zinc/54/12/99/937541299.db2.gz BQVCNXHWMXFVAH-IKGGRYGDSA-N 1 3 287.451 3.418 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)[C@H]2C1 ZINC001461826096 937599660 /nfs/dbraw/zinc/59/96/60/937599660.db2.gz CXHXFGDHBBQRMM-UJCHZGTJSA-N 1 3 299.462 3.038 20 0 CGADHO CN1CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011947 933034379 /nfs/dbraw/zinc/03/43/79/933034379.db2.gz UPJGWCHZKJWWLN-HKUYNNGSSA-N 1 3 280.415 3.366 20 0 CGADHO CN1CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011947 933034381 /nfs/dbraw/zinc/03/43/81/933034381.db2.gz UPJGWCHZKJWWLN-HKUYNNGSSA-N 1 3 280.415 3.366 20 0 CGADHO CC(C)c1ccccc1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308121151 933053777 /nfs/dbraw/zinc/05/37/77/933053777.db2.gz OPFMFNNRPWJKLA-AEFFLSMTSA-N 1 3 272.436 3.194 20 0 CGADHO CC(C)c1ccccc1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308121151 933053780 /nfs/dbraw/zinc/05/37/80/933053780.db2.gz OPFMFNNRPWJKLA-AEFFLSMTSA-N 1 3 272.436 3.194 20 0 CGADHO FC(F)(F)c1ccccc1CNC[C@@H]1C[NH+]2CCC1CC2 ZINC001462634369 937655245 /nfs/dbraw/zinc/65/52/45/937655245.db2.gz IXELDBWWDXNDCV-CQSZACIVSA-N 1 3 298.352 3.137 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001462670023 937658524 /nfs/dbraw/zinc/65/85/24/937658524.db2.gz PGORSIXYBOFRGR-MROQNXINSA-N 1 3 278.362 3.037 20 0 CGADHO CCCc1ccc(C[NH2+]CC[C@@H](C)N(C)C)s1 ZINC001308478726 933117364 /nfs/dbraw/zinc/11/73/64/933117364.db2.gz KYDBIXFLURROJW-GFCCVEGCSA-N 1 3 254.443 3.130 20 0 CGADHO CC(C)[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001308872360 933194509 /nfs/dbraw/zinc/19/45/09/933194509.db2.gz QEHQJZVIQSNWMS-LXPRWKDFSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001319127593 933830354 /nfs/dbraw/zinc/83/03/54/933830354.db2.gz KCURFJCSHVZILH-CABCVRRESA-N 1 3 281.403 3.004 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001319127593 933830358 /nfs/dbraw/zinc/83/03/58/933830358.db2.gz KCURFJCSHVZILH-CABCVRRESA-N 1 3 281.403 3.004 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001319212282 933843750 /nfs/dbraw/zinc/84/37/50/933843750.db2.gz HCJKZAJEMPGQMO-CABCVRRESA-N 1 3 281.403 3.216 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001319212282 933843758 /nfs/dbraw/zinc/84/37/58/933843758.db2.gz HCJKZAJEMPGQMO-CABCVRRESA-N 1 3 281.403 3.216 20 0 CGADHO Cc1cnc2ccccc2c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001319656107 933909102 /nfs/dbraw/zinc/90/91/02/933909102.db2.gz XBONZCMVMVTAQE-OAHLLOKOSA-N 1 3 283.419 3.107 20 0 CGADHO Cc1cnc2ccccc2c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC001319656107 933909107 /nfs/dbraw/zinc/90/91/07/933909107.db2.gz XBONZCMVMVTAQE-OAHLLOKOSA-N 1 3 283.419 3.107 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@@H](CSc1ccccc1)C(C)C ZINC001326473010 934981749 /nfs/dbraw/zinc/98/17/49/934981749.db2.gz GQHXYTMSEHMCMA-HOCLYGCPSA-N 1 3 280.481 3.391 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390490 936143008 /nfs/dbraw/zinc/14/30/08/936143008.db2.gz JYOKNBSPCNYTLA-WMLDXEAASA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2)C[C@@H]1C ZINC001335390490 936143011 /nfs/dbraw/zinc/14/30/11/936143011.db2.gz JYOKNBSPCNYTLA-WMLDXEAASA-N 1 3 278.415 3.173 20 0 CGADHO COc1cc(F)cc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC001473999805 937834990 /nfs/dbraw/zinc/83/49/90/937834990.db2.gz OESMVAARCRDTRZ-MRXNPFEDSA-N 1 3 296.430 3.290 20 0 CGADHO C[C@H]1C[NH2+]C[C@@H]1CN1CCC(c2cccc3[nH]ccc32)CC1 ZINC001550352810 938166235 /nfs/dbraw/zinc/16/62/35/938166235.db2.gz GETWVKARASSKJT-GOEBONIOSA-N 1 3 297.446 3.203 20 0 CGADHO CC[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C(C)C ZINC001551238492 938178366 /nfs/dbraw/zinc/17/83/66/938178366.db2.gz WPWBWIBBFUCPRU-AQFXKWCLSA-N 1 3 282.472 3.044 20 0 CGADHO CC1CCC([NH2+]C2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001551237415 938178310 /nfs/dbraw/zinc/17/83/10/938178310.db2.gz ICAYQWSKMNVTRZ-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238077 938178401 /nfs/dbraw/zinc/17/84/01/938178401.db2.gz ILXAXPBGSWKLJG-ZLZJIPBDSA-N 1 3 294.483 3.188 20 0 CGADHO C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC001553026501 938196090 /nfs/dbraw/zinc/19/60/90/938196090.db2.gz OHZKHZQEROBAAZ-ULQDDVLXSA-N 1 3 276.468 3.467 20 0 CGADHO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001561033932 938290583 /nfs/dbraw/zinc/29/05/83/938290583.db2.gz ADOSCGFCAAUHLT-GOSISDBHSA-N 1 3 288.410 3.277 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001561053697 938292086 /nfs/dbraw/zinc/29/20/86/938292086.db2.gz YXYFBXAFCBJNAK-NOVWEMISSA-N 1 3 290.426 3.077 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001561052738 938292198 /nfs/dbraw/zinc/29/21/98/938292198.db2.gz KCUQNKIDGUZASR-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO [NH3+]CC1(CN[C@@H]2CCc3ccc(Cl)cc32)CCC1 ZINC001580244391 960487547 /nfs/dbraw/zinc/48/75/47/960487547.db2.gz VXRPKRGUTHSWDT-CQSZACIVSA-N 1 3 264.800 3.046 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC001575421934 962372275 /nfs/dbraw/zinc/37/22/75/962372275.db2.gz CZNYKSGMDGDKPS-MSOLQXFVSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC001575421934 962372288 /nfs/dbraw/zinc/37/22/88/962372288.db2.gz CZNYKSGMDGDKPS-MSOLQXFVSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@H](CN)C[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC001575422432 962372365 /nfs/dbraw/zinc/37/23/65/962372365.db2.gz JDQABPYPPQIMDU-AWDGRILASA-N 1 3 278.484 3.366 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC001575422432 962372388 /nfs/dbraw/zinc/37/23/88/962372388.db2.gz JDQABPYPPQIMDU-AWDGRILASA-N 1 3 278.484 3.366 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN[C@@H]1CCc2cc(Cl)ccc21 ZINC001575428513 962373831 /nfs/dbraw/zinc/37/38/31/962373831.db2.gz DQCQJBCXLXZOOM-SWLSCSKDSA-N 1 3 266.816 3.148 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC001575566551 962397913 /nfs/dbraw/zinc/39/79/13/962397913.db2.gz YKQUJGWRHQMNQM-BZUAXINKSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001576104532 962437189 /nfs/dbraw/zinc/43/71/89/962437189.db2.gz ZZOLMBYMYLKNIG-VXGBXAGGSA-N 1 3 258.409 3.267 20 0 CGADHO CC1(C)CC[C@H](CN[C@@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422174 962456400 /nfs/dbraw/zinc/45/64/00/962456400.db2.gz TYNCVOWWSOLNOI-HZPDHXFCSA-N 1 3 294.483 3.236 20 0 CGADHO CCC(CC)(CN)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001577052403 962506879 /nfs/dbraw/zinc/50/68/79/962506879.db2.gz RYODAGKGVRVJEU-KRWDZBQOSA-N 1 3 274.452 3.289 20 0 CGADHO CC[C@@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)[C@@H]1C ZINC001577262602 962520376 /nfs/dbraw/zinc/52/03/76/962520376.db2.gz KAFHAMZVVYOQNQ-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)[C@@H]1C ZINC001577262602 962520393 /nfs/dbraw/zinc/52/03/93/962520393.db2.gz KAFHAMZVVYOQNQ-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)CNCC2 ZINC001577419691 962549076 /nfs/dbraw/zinc/54/90/76/962549076.db2.gz XRIOTKNVFCYXSE-STQMWFEESA-N 1 3 293.480 3.237 20 0 CGADHO CCc1ccc(CNCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001578259906 962582942 /nfs/dbraw/zinc/58/29/42/962582942.db2.gz PTPNFBGWIQKNBT-UHFFFAOYSA-N 1 3 266.388 3.142 20 0 CGADHO COCCC1(CNC[C@H]2CCC(C)(C)C[NH2+]2)CCCCC1 ZINC001579007480 962608668 /nfs/dbraw/zinc/60/86/68/962608668.db2.gz UXZCVPOVZFBMIB-MRXNPFEDSA-N 1 3 296.499 3.341 20 0 CGADHO Cc1cc(C)cc(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)c1 ZINC001579580346 962637170 /nfs/dbraw/zinc/63/71/70/962637170.db2.gz WCTAINMVAOFXFM-FGTMMUONSA-N 1 3 286.463 3.212 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC001579580346 962637188 /nfs/dbraw/zinc/63/71/88/962637188.db2.gz WCTAINMVAOFXFM-FGTMMUONSA-N 1 3 286.463 3.212 20 0 CGADHO Cc1cccc(C)c1CN[C@]1(C[NH3+])CCCC[C@H]1C ZINC001579754885 962671937 /nfs/dbraw/zinc/67/19/37/962671937.db2.gz LTEJFDJFCIRXIR-WBVHZDCISA-N 1 3 260.425 3.301 20 0 CGADHO Clc1cccc(CNCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001579938207 962677463 /nfs/dbraw/zinc/67/74/63/962677463.db2.gz CMWPHXDKLZVREN-UHFFFAOYSA-N 1 3 286.806 3.276 20 0 CGADHO Cc1coc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC001579829514 962677661 /nfs/dbraw/zinc/67/76/61/962677661.db2.gz DVBGWPUPDFJXQS-HNNXBMFYSA-N 1 3 276.424 3.190 20 0 CGADHO [NH3+]CCCNCc1ccc(Oc2cccc(F)c2)cc1 ZINC001580298513 962718499 /nfs/dbraw/zinc/71/84/99/962718499.db2.gz HDYHKKWDSDCWJR-UHFFFAOYSA-N 1 3 274.339 3.056 20 0 CGADHO N[C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784056 349586189 /nfs/dbraw/zinc/58/61/89/349586189.db2.gz JAKGDHXLGATLDG-RLCCDNCMSA-N 1 3 276.811 3.141 20 0 CGADHO N[C@]12CCC[C@@H]1C[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784056 349586193 /nfs/dbraw/zinc/58/61/93/349586193.db2.gz JAKGDHXLGATLDG-RLCCDNCMSA-N 1 3 276.811 3.141 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@]2(C)CC)C1 ZINC000651685973 398268988 /nfs/dbraw/zinc/26/89/88/398268988.db2.gz LFTHRPVHXGENLU-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000590302803 346841452 /nfs/dbraw/zinc/84/14/52/346841452.db2.gz HGSVETHNRCXCPT-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO C[NH+]1CCC(CN[C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651705775 398272058 /nfs/dbraw/zinc/27/20/58/398272058.db2.gz FWKBJZKTEGHCGL-AWEZNQCLSA-N 1 3 296.817 3.398 20 0 CGADHO C[C@@]1(C[NH3+])CCN(CCCc2cccc3ccccc32)C1 ZINC000337756684 214248049 /nfs/dbraw/zinc/24/80/49/214248049.db2.gz MFVGZRKPBSDURA-IBGZPJMESA-N 1 3 282.431 3.443 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897667 529390035 /nfs/dbraw/zinc/39/00/35/529390035.db2.gz VPXMCGZKDAIEMZ-DLBZAZTESA-N 1 3 291.439 3.056 20 0 CGADHO [NH3+]CCCNC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622004695 349620633 /nfs/dbraw/zinc/62/06/33/349620633.db2.gz SOMIPNXRIUQEHC-UHFFFAOYSA-N 1 3 272.314 3.023 20 0 CGADHO Cc1ccccc1C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000096971163 185144637 /nfs/dbraw/zinc/14/46/37/185144637.db2.gz DEZKXVHUHBQOSC-QGZVFWFLSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ccccc1C[N@H+](C)CC[C@H]1CCCCN1C ZINC000096971163 185144639 /nfs/dbraw/zinc/14/46/39/185144639.db2.gz DEZKXVHUHBQOSC-QGZVFWFLSA-N 1 3 260.425 3.301 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000651864734 398298048 /nfs/dbraw/zinc/29/80/48/398298048.db2.gz BRMPZXRGBFJGLJ-CQSZACIVSA-N 1 3 272.502 3.086 20 0 CGADHO CC[N@H+](CCCN[C@H](C)[C@H]1CCOC1)C1CCCCC1 ZINC000651910492 398304647 /nfs/dbraw/zinc/30/46/47/398304647.db2.gz VXUHXWMGFLZULI-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)[C@H]1CCOC1)C1CCCCC1 ZINC000651910492 398304649 /nfs/dbraw/zinc/30/46/49/398304649.db2.gz VXUHXWMGFLZULI-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)N1CCCCC1 ZINC000338014077 214360783 /nfs/dbraw/zinc/36/07/83/214360783.db2.gz DXYVHWMQBNNKMY-HYVNUMGLSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H](F)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000440792855 529435511 /nfs/dbraw/zinc/43/55/11/529435511.db2.gz AZGVJKDBABPUIT-INIZCTEOSA-N 1 3 293.430 3.368 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(F)c2)CC1 ZINC000590786615 346875844 /nfs/dbraw/zinc/87/58/44/346875844.db2.gz IGZHAGYJGOVSGC-UHFFFAOYSA-N 1 3 278.415 3.378 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(F)c2)CC1 ZINC000590786615 346875846 /nfs/dbraw/zinc/87/58/46/346875846.db2.gz IGZHAGYJGOVSGC-UHFFFAOYSA-N 1 3 278.415 3.378 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000423396780 295679161 /nfs/dbraw/zinc/67/91/61/295679161.db2.gz SOCRVFJVLUPGRZ-CYZMBNFOSA-N 1 3 282.428 3.468 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000423274536 295686515 /nfs/dbraw/zinc/68/65/15/295686515.db2.gz MFDMYQRVFNTXMF-SCRDCRAPSA-N 1 3 264.438 3.187 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@H]1C[C@H]1C ZINC000414109468 529613594 /nfs/dbraw/zinc/61/35/94/529613594.db2.gz HHNMYGJKCLLKCA-UGUYLWEFSA-N 1 3 252.446 3.131 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000423383693 529657514 /nfs/dbraw/zinc/65/75/14/529657514.db2.gz KPCHPDNTYSMRQA-FMKPAKJESA-N 1 3 262.397 3.006 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000423283834 529655824 /nfs/dbraw/zinc/65/58/24/529655824.db2.gz WJMXKTCVJDAQMO-BHYGNILZSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1cccc(OC)c1 ZINC000423283834 529655825 /nfs/dbraw/zinc/65/58/25/529655825.db2.gz WJMXKTCVJDAQMO-BHYGNILZSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](O)C(C)C ZINC000414305274 529681745 /nfs/dbraw/zinc/68/17/45/529681745.db2.gz WYGDYBPDTHRWNP-MSOLQXFVSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(C)C ZINC000414305274 529681748 /nfs/dbraw/zinc/68/17/48/529681748.db2.gz WYGDYBPDTHRWNP-MSOLQXFVSA-N 1 3 296.499 3.169 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405859 349801035 /nfs/dbraw/zinc/80/10/35/349801035.db2.gz AQBQVNFBKDQBPQ-RHSMWYFYSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405859 349801039 /nfs/dbraw/zinc/80/10/39/349801039.db2.gz AQBQVNFBKDQBPQ-RHSMWYFYSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000126702660 187256674 /nfs/dbraw/zinc/25/66/74/187256674.db2.gz VVQUXWSSWQPCGJ-JKSUJKDBSA-N 1 3 290.451 3.035 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442796594 282258515 /nfs/dbraw/zinc/25/85/15/282258515.db2.gz UKWBFADJWOXTEL-PQAZSJQKSA-N 1 3 274.399 3.273 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000423367794 529722457 /nfs/dbraw/zinc/72/24/57/529722457.db2.gz DRCUMKIDWZJAON-XYPHTWIQSA-N 1 3 260.425 3.430 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)s1 ZINC000423378626 529722588 /nfs/dbraw/zinc/72/25/88/529722588.db2.gz MIIQHGUHMRPEQF-SRVKXCTJSA-N 1 3 252.427 3.102 20 0 CGADHO CCc1nc(C)c([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423267614 529730189 /nfs/dbraw/zinc/73/01/89/529730189.db2.gz CXNREQCWZMZSQZ-UHTWSYAYSA-N 1 3 281.469 3.182 20 0 CGADHO Cc1ccc2cc(C[NH2+]C[C@@H]3CCCCN(C)C3)[nH]c2c1 ZINC000623657439 349859730 /nfs/dbraw/zinc/85/97/30/349859730.db2.gz QULHTZVCZMLKAC-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)nc1 ZINC000623649340 349855535 /nfs/dbraw/zinc/85/55/35/349855535.db2.gz RKKPYOVECBEJHO-HNNXBMFYSA-N 1 3 289.467 3.130 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000623649340 349855538 /nfs/dbraw/zinc/85/55/38/349855538.db2.gz RKKPYOVECBEJHO-HNNXBMFYSA-N 1 3 289.467 3.130 20 0 CGADHO Cc1cc(C[NH2+]C[C@H]2CCCCN(C)C2)cc2cccnc12 ZINC000623657299 349857997 /nfs/dbraw/zinc/85/79/97/349857997.db2.gz MYSAVNZJAJMBJM-MRXNPFEDSA-N 1 3 297.446 3.365 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000423273692 529986420 /nfs/dbraw/zinc/98/64/20/529986420.db2.gz LIAKHHYXLQSEKZ-WBMJQRKESA-N 1 3 260.425 3.126 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000089214393 345766745 /nfs/dbraw/zinc/76/67/45/345766745.db2.gz KBNKXRYRKOPTLY-OAUYIBNBSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000089214393 345766748 /nfs/dbraw/zinc/76/67/48/345766748.db2.gz KBNKXRYRKOPTLY-OAUYIBNBSA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090234349 345785887 /nfs/dbraw/zinc/78/58/87/345785887.db2.gz WTUQQCQLGXQRGF-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090234349 345785889 /nfs/dbraw/zinc/78/58/89/345785889.db2.gz WTUQQCQLGXQRGF-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090234349 345785890 /nfs/dbraw/zinc/78/58/90/345785890.db2.gz WTUQQCQLGXQRGF-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc2c(c1)CC(CC[NH2+][C@H]1CCN3CCC[C@@H]3C1)C2 ZINC000090853721 345796550 /nfs/dbraw/zinc/79/65/50/345796550.db2.gz SBVYKSZHYVZYSQ-RBUKOAKNSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000090853721 345796552 /nfs/dbraw/zinc/79/65/52/345796552.db2.gz SBVYKSZHYVZYSQ-RBUKOAKNSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000090853721 345796556 /nfs/dbraw/zinc/79/65/56/345796556.db2.gz SBVYKSZHYVZYSQ-RBUKOAKNSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000092739337 345855071 /nfs/dbraw/zinc/85/50/71/345855071.db2.gz BWTZRLYDVVKUSC-CABCVRRESA-N 1 3 293.430 3.383 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000092739337 345855075 /nfs/dbraw/zinc/85/50/75/345855075.db2.gz BWTZRLYDVVKUSC-CABCVRRESA-N 1 3 293.430 3.383 20 0 CGADHO CCCN1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093941582 345892856 /nfs/dbraw/zinc/89/28/56/345892856.db2.gz IUXKZNHWINNNHP-OAHLLOKOSA-N 1 3 289.467 3.278 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000093210063 345872755 /nfs/dbraw/zinc/87/27/55/345872755.db2.gz MDNCYCABCKXXLX-DDTOSNHZSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000171709624 232268925 /nfs/dbraw/zinc/26/89/25/232268925.db2.gz JKGMINLZAJNUQS-ZIAGYGMSSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000171709624 232268928 /nfs/dbraw/zinc/26/89/28/232268928.db2.gz JKGMINLZAJNUQS-ZIAGYGMSSA-N 1 3 264.388 3.160 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093742205 345886852 /nfs/dbraw/zinc/88/68/52/345886852.db2.gz FUAAJCGOLWXDKH-YTQUADARSA-N 1 3 286.463 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093742205 345886853 /nfs/dbraw/zinc/88/68/53/345886853.db2.gz FUAAJCGOLWXDKH-YTQUADARSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093742205 345886854 /nfs/dbraw/zinc/88/68/54/345886854.db2.gz FUAAJCGOLWXDKH-YTQUADARSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000093742205 345886855 /nfs/dbraw/zinc/88/68/55/345886855.db2.gz FUAAJCGOLWXDKH-YTQUADARSA-N 1 3 286.463 3.454 20 0 CGADHO C[NH2+]CCCN(C)[C@@H](C)c1cccc2ccccc21 ZINC000124752167 346013797 /nfs/dbraw/zinc/01/37/97/346013797.db2.gz WCIXDIZLKAHEAS-AWEZNQCLSA-N 1 3 256.393 3.442 20 0 CGADHO CNCCC[N@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000124752167 346013799 /nfs/dbraw/zinc/01/37/99/346013799.db2.gz WCIXDIZLKAHEAS-AWEZNQCLSA-N 1 3 256.393 3.442 20 0 CGADHO CNCCC[N@@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC000124752167 346013800 /nfs/dbraw/zinc/01/38/00/346013800.db2.gz WCIXDIZLKAHEAS-AWEZNQCLSA-N 1 3 256.393 3.442 20 0 CGADHO CCOC1CC(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000351722128 219187838 /nfs/dbraw/zinc/18/78/38/219187838.db2.gz VBKNOUMAEPDPLN-JBCIKUTRSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000351863690 219230745 /nfs/dbraw/zinc/23/07/45/219230745.db2.gz UOHLYVPLCHOTFW-DOTOQJQBSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120507 349976953 /nfs/dbraw/zinc/97/69/53/349976953.db2.gz ARIKGBPBVVKPEL-DZGCQCFKSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120507 349976955 /nfs/dbraw/zinc/97/69/55/349976955.db2.gz ARIKGBPBVVKPEL-DZGCQCFKSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120507 349976957 /nfs/dbraw/zinc/97/69/57/349976957.db2.gz ARIKGBPBVVKPEL-DZGCQCFKSA-N 1 3 266.454 3.001 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000624120545 349977253 /nfs/dbraw/zinc/97/72/53/349977253.db2.gz BLUWSAKSZCLRES-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000624121547 349980176 /nfs/dbraw/zinc/98/01/76/349980176.db2.gz XUIAHKYOGOYFIR-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(OC)c1 ZINC000624120770 349979118 /nfs/dbraw/zinc/97/91/18/349979118.db2.gz GTANMWCTAKSQNS-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000624122111 349979865 /nfs/dbraw/zinc/97/98/65/349979865.db2.gz JXVHOIUWXXTTRB-WBVHZDCISA-N 1 3 288.435 3.222 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccnc1 ZINC000624121788 349979872 /nfs/dbraw/zinc/97/98/72/349979872.db2.gz CXGOKBJIYDUMJF-RDJZCZTQSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121169 349978246 /nfs/dbraw/zinc/97/82/46/349978246.db2.gz PNEACBRZEAPQIL-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121169 349978251 /nfs/dbraw/zinc/97/82/51/349978251.db2.gz PNEACBRZEAPQIL-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121169 349978255 /nfs/dbraw/zinc/97/82/55/349978255.db2.gz PNEACBRZEAPQIL-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCCC1 ZINC000624123175 349982981 /nfs/dbraw/zinc/98/29/81/349982981.db2.gz HFSOYBSKCQEZOX-GDBMZVCRSA-N 1 3 252.446 3.277 20 0 CGADHO CO[C@H](C)[C@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000358039297 233044930 /nfs/dbraw/zinc/04/49/30/233044930.db2.gz ACUKXXRVXXYGNG-LSDHHAIUSA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@H](C)[C@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039297 233044932 /nfs/dbraw/zinc/04/49/32/233044932.db2.gz ACUKXXRVXXYGNG-LSDHHAIUSA-N 1 3 278.440 3.040 20 0 CGADHO Cc1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c(CN(C)C)c1 ZINC000628196754 350436255 /nfs/dbraw/zinc/43/62/55/350436255.db2.gz BJGLDYIKLUTNHH-INIZCTEOSA-N 1 3 289.467 3.341 20 0 CGADHO Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c(CN(C)C)c1 ZINC000628196754 350436256 /nfs/dbraw/zinc/43/62/56/350436256.db2.gz BJGLDYIKLUTNHH-INIZCTEOSA-N 1 3 289.467 3.341 20 0 CGADHO CN(C)Cc1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c(F)c1 ZINC000628310606 350492793 /nfs/dbraw/zinc/49/27/93/350492793.db2.gz RPMVKDOUVMEXAV-CQSZACIVSA-N 1 3 293.430 3.172 20 0 CGADHO CN(C)Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(F)c1 ZINC000628310606 350492796 /nfs/dbraw/zinc/49/27/96/350492796.db2.gz RPMVKDOUVMEXAV-CQSZACIVSA-N 1 3 293.430 3.172 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353285 350514188 /nfs/dbraw/zinc/51/41/88/350514188.db2.gz PMLMULMXQRBYDT-OCCSQVGLSA-N 1 3 286.410 3.132 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000629531661 350703706 /nfs/dbraw/zinc/70/37/06/350703706.db2.gz SVKHRVBOEMZRJI-XLAORIBOSA-N 1 3 296.499 3.467 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000629531438 350703949 /nfs/dbraw/zinc/70/39/49/350703949.db2.gz LBKDKNPVVUCUQM-QBPKDAKJSA-N 1 3 282.472 3.220 20 0 CGADHO C[C@H]1CC2(CN1Cc1cc(O)ccc1Cl)CC[NH2+]CC2 ZINC000629539256 350706615 /nfs/dbraw/zinc/70/66/15/350706615.db2.gz PBMZSRDIGBMQMU-LBPRGKRZSA-N 1 3 294.826 3.010 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000629406246 350689302 /nfs/dbraw/zinc/68/93/02/350689302.db2.gz LJCXTXRYYXYVTD-SVGFKBNWSA-N 1 3 258.409 3.053 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000629516058 350699745 /nfs/dbraw/zinc/69/97/45/350699745.db2.gz ZUZBVTFPOGUCLD-UGUYLWEFSA-N 1 3 258.409 3.038 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000629516058 350699749 /nfs/dbraw/zinc/69/97/49/350699749.db2.gz ZUZBVTFPOGUCLD-UGUYLWEFSA-N 1 3 258.409 3.038 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000629518409 350700587 /nfs/dbraw/zinc/70/05/87/350700587.db2.gz IWZYSOJWYUERPZ-YESZJQIVSA-N 1 3 287.451 3.073 20 0 CGADHO CCC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000629522209 350701269 /nfs/dbraw/zinc/70/12/69/350701269.db2.gz XKVJPHHKIBAUHR-OAHLLOKOSA-N 1 3 296.842 3.279 20 0 CGADHO CC[C@@H](NCC1([NH3+])CCOCC1)c1cccc2ccccc21 ZINC000629523417 350701348 /nfs/dbraw/zinc/70/13/48/350701348.db2.gz GJFLXIQSGQGASH-GOSISDBHSA-N 1 3 298.430 3.388 20 0 CGADHO Cc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000631121959 350961492 /nfs/dbraw/zinc/96/14/92/350961492.db2.gz WAEWTEFZOMNDEQ-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)[C@@H](C)O1 ZINC000631699273 351121993 /nfs/dbraw/zinc/12/19/93/351121993.db2.gz DHVIADRUDVBHNI-IFCWYPFCSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)[C@@H](C)O1 ZINC000631699273 351121995 /nfs/dbraw/zinc/12/19/95/351121995.db2.gz DHVIADRUDVBHNI-IFCWYPFCSA-N 1 3 294.483 3.185 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](C)CN1CCCC1 ZINC000631570044 351070570 /nfs/dbraw/zinc/07/05/70/351070570.db2.gz OXKSSFRBPNBVIT-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCc2ncccc21)CN1CCCCC1 ZINC000631570085 351070758 /nfs/dbraw/zinc/07/07/58/351070758.db2.gz PUMJITFIKWADJI-QAPCUYQASA-N 1 3 287.451 3.171 20 0 CGADHO CN(C)CC1(C[NH2+][C@@H]2CCCc3ncccc32)CCCC1 ZINC000631615083 351090539 /nfs/dbraw/zinc/09/05/39/351090539.db2.gz ISWFLHBXFKYJQH-QGZVFWFLSA-N 1 3 287.451 3.171 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@@H]2CCC[C@@H]21 ZINC000631807715 351145838 /nfs/dbraw/zinc/14/58/38/351145838.db2.gz NYJUISCWKPKEOM-SZMVWBNQSA-N 1 3 283.419 3.130 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@@H]2CCC[C@@H]21 ZINC000631807715 351145840 /nfs/dbraw/zinc/14/58/40/351145840.db2.gz NYJUISCWKPKEOM-SZMVWBNQSA-N 1 3 283.419 3.130 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3ncccc23)C[C@@H]1CN ZINC000634687973 351573604 /nfs/dbraw/zinc/57/36/04/351573604.db2.gz DYYWOXNUQYBYDS-FMKPAKJESA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@@H]1CN ZINC000634687973 351573606 /nfs/dbraw/zinc/57/36/06/351573606.db2.gz DYYWOXNUQYBYDS-FMKPAKJESA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cccc3ncccc23)C[C@@H]1C[NH3+] ZINC000634687973 351573609 /nfs/dbraw/zinc/57/36/09/351573609.db2.gz DYYWOXNUQYBYDS-FMKPAKJESA-N 1 3 283.419 3.040 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733725 351580253 /nfs/dbraw/zinc/58/02/53/351580253.db2.gz MCPZTCCFCQTOKR-HOTGVXAUSA-N 1 3 292.854 3.175 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733725 351580257 /nfs/dbraw/zinc/58/02/57/351580257.db2.gz MCPZTCCFCQTOKR-HOTGVXAUSA-N 1 3 292.854 3.175 20 0 CGADHO c1ccc2c(c1)CC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635023771 351633832 /nfs/dbraw/zinc/63/38/32/351633832.db2.gz SEAHCTRRGCBHTF-LJQANCHMSA-N 1 3 278.399 3.109 20 0 CGADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000635011336 351629936 /nfs/dbraw/zinc/62/99/36/351629936.db2.gz NFUNOMZVMQRPKJ-VXGBXAGGSA-N 1 3 252.427 3.177 20 0 CGADHO Fc1ccc2c(c1)CC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635012092 351630814 /nfs/dbraw/zinc/63/08/14/351630814.db2.gz UAVPPEGMRPIXBL-LJQANCHMSA-N 1 3 296.389 3.249 20 0 CGADHO COc1cccc2c1CC[C@@H]2N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013363 351631799 /nfs/dbraw/zinc/63/17/99/351631799.db2.gz YBVKKWNUJLSMSI-CJNGLKHVSA-N 1 3 288.435 3.050 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000635013381 351631986 /nfs/dbraw/zinc/63/19/86/351631986.db2.gz YEMQFPKKNKKGCP-CQSZACIVSA-N 1 3 250.430 3.077 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000122794504 187052241 /nfs/dbraw/zinc/05/22/41/187052241.db2.gz JEWWEZUHFPBCCE-HNNXBMFYSA-N 1 3 292.471 3.237 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123194324 187076881 /nfs/dbraw/zinc/07/68/81/187076881.db2.gz BHSZRSWASLVNEA-PBHICJAKSA-N 1 3 283.419 3.149 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123194324 187076882 /nfs/dbraw/zinc/07/68/82/187076882.db2.gz BHSZRSWASLVNEA-PBHICJAKSA-N 1 3 283.419 3.149 20 0 CGADHO Cc1cccc([C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141272 198179334 /nfs/dbraw/zinc/17/93/34/198179334.db2.gz MKSCYZVNZXWXSH-NVXWUHKLSA-N 1 3 258.409 3.084 20 0 CGADHO Cc1cccc([C@@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141272 198179336 /nfs/dbraw/zinc/17/93/36/198179336.db2.gz MKSCYZVNZXWXSH-NVXWUHKLSA-N 1 3 258.409 3.084 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000155044413 188178167 /nfs/dbraw/zinc/17/81/67/188178167.db2.gz UXUKUIOPRARSND-CZUORRHYSA-N 1 3 264.388 3.160 20 0 CGADHO CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000155044413 188178169 /nfs/dbraw/zinc/17/81/69/188178169.db2.gz UXUKUIOPRARSND-CZUORRHYSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000158653372 188387182 /nfs/dbraw/zinc/38/71/82/188387182.db2.gz PUHOHMALWHEWTP-CVEARBPZSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000158653372 188387184 /nfs/dbraw/zinc/38/71/84/188387184.db2.gz PUHOHMALWHEWTP-CVEARBPZSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158764938 188392753 /nfs/dbraw/zinc/39/27/53/188392753.db2.gz RHQDHZSOXILJPM-USXIJHARSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158764938 188392754 /nfs/dbraw/zinc/39/27/54/188392754.db2.gz RHQDHZSOXILJPM-USXIJHARSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158764938 188392756 /nfs/dbraw/zinc/39/27/56/188392756.db2.gz RHQDHZSOXILJPM-USXIJHARSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158764938 188392757 /nfs/dbraw/zinc/39/27/57/188392757.db2.gz RHQDHZSOXILJPM-USXIJHARSA-N 1 3 258.409 3.164 20 0 CGADHO Fc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000149444726 283019850 /nfs/dbraw/zinc/01/98/50/283019850.db2.gz GXZRDZVVJAYOMD-KRWDZBQOSA-N 1 3 276.399 3.279 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000271829865 191353730 /nfs/dbraw/zinc/35/37/30/191353730.db2.gz DTVYXPKJPAPSMA-MSOLQXFVSA-N 1 3 270.420 3.174 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c(C)o1 ZINC000414176012 235355005 /nfs/dbraw/zinc/35/50/05/235355005.db2.gz IUTSQUAMPHBAEQ-HIFRSBDPSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176012 235355006 /nfs/dbraw/zinc/35/50/06/235355006.db2.gz IUTSQUAMPHBAEQ-HIFRSBDPSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171654 235353218 /nfs/dbraw/zinc/35/32/18/235353218.db2.gz DJNMKZYZXIJIFG-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171654 235353221 /nfs/dbraw/zinc/35/32/21/235353221.db2.gz DJNMKZYZXIJIFG-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1occc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000414297133 235382297 /nfs/dbraw/zinc/38/22/97/235382297.db2.gz YIDMBBBKSAXKKE-AWEZNQCLSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1occc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000414297133 235382300 /nfs/dbraw/zinc/38/23/00/235382300.db2.gz YIDMBBBKSAXKKE-AWEZNQCLSA-N 1 3 264.413 3.332 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000334881862 291082948 /nfs/dbraw/zinc/08/29/48/291082948.db2.gz ZCQYKUKYJNQBGR-DZGCQCFKSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000334881862 291082949 /nfs/dbraw/zinc/08/29/49/291082949.db2.gz ZCQYKUKYJNQBGR-DZGCQCFKSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414824135 235474864 /nfs/dbraw/zinc/47/48/64/235474864.db2.gz QBKJMDZMAUUODD-TUKIKUTGSA-N 1 3 266.816 3.303 20 0 CGADHO C[NH+]1CCC(CCNCc2cnc(C(C)(C)C)s2)CC1 ZINC000105454047 138351785 /nfs/dbraw/zinc/35/17/85/138351785.db2.gz PKWGGXTXYGAVRG-UHFFFAOYSA-N 1 3 295.496 3.262 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC000111695548 138364759 /nfs/dbraw/zinc/36/47/59/138364759.db2.gz GCXHJOFCKBBYAK-GOEBONIOSA-N 1 3 268.404 3.399 20 0 CGADHO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C2 ZINC000422976619 235952024 /nfs/dbraw/zinc/95/20/24/235952024.db2.gz DHSHYKRIKFYESA-SLFFLAALSA-N 1 3 298.474 3.302 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000423053032 235963964 /nfs/dbraw/zinc/96/39/64/235963964.db2.gz RVDYSJUUSMFZTA-YOEHRIQHSA-N 1 3 286.419 3.391 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423092720 235972348 /nfs/dbraw/zinc/97/23/48/235972348.db2.gz DCWXGNKALWKIHU-RRCSTGOVSA-N 1 3 278.827 3.303 20 0 CGADHO CCOc1ccc([C@H](CC)NC[C@H](C)C[NH3+])cc1OCC ZINC000423300372 236030746 /nfs/dbraw/zinc/03/07/46/236030746.db2.gz RLIYCTYVQDIBOR-HIFRSBDPSA-N 1 3 294.439 3.120 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423265493 236014223 /nfs/dbraw/zinc/01/42/23/236014223.db2.gz BAYPSOIJHOLMTI-KEYYUXOJSA-N 1 3 286.419 3.471 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423265490 236014225 /nfs/dbraw/zinc/01/42/25/236014225.db2.gz BAYPSOIJHOLMTI-CKEIUWERSA-N 1 3 286.419 3.471 20 0 CGADHO N[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321209 236037633 /nfs/dbraw/zinc/03/76/33/236037633.db2.gz NBFNRNNAQCRZFU-CABCVRRESA-N 1 3 264.800 3.118 20 0 CGADHO Cc1ccc([C@H](NC[C@@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000423346775 236046145 /nfs/dbraw/zinc/04/61/45/236046145.db2.gz QESWSXRSBGZBHU-ROUUACIJSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)cc1 ZINC000423346775 236046148 /nfs/dbraw/zinc/04/61/48/236046148.db2.gz QESWSXRSBGZBHU-ROUUACIJSA-N 1 3 272.436 3.425 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000423303276 236032415 /nfs/dbraw/zinc/03/24/15/236032415.db2.gz ISWCOIDRIBRPGX-NEPJUHHUSA-N 1 3 260.356 3.224 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CC1 ZINC000423385926 236058292 /nfs/dbraw/zinc/05/82/92/236058292.db2.gz RKVCILPKBKSMIB-QGTPRVQTSA-N 1 3 272.436 3.046 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423371393 236053153 /nfs/dbraw/zinc/05/31/53/236053153.db2.gz QGGZHKOQDBFIBW-HCEZTOJASA-N 1 3 280.456 3.116 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000423548563 236097253 /nfs/dbraw/zinc/09/72/53/236097253.db2.gz GSTUGIMHSSOLJG-RDJZCZTQSA-N 1 3 287.451 3.148 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc(C)c1F ZINC000425951577 236275406 /nfs/dbraw/zinc/27/54/06/236275406.db2.gz NCXJKRHDIDNLPC-BXUZGUMPSA-N 1 3 266.404 3.291 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc3ccoc32)CC[N@@H+]1C ZINC000336221990 213049438 /nfs/dbraw/zinc/04/94/38/213049438.db2.gz CUKPKBNVWFYAHM-DOMZBBRYSA-N 1 3 258.365 3.005 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc3ccoc32)CC[N@H+]1C ZINC000336221990 213049442 /nfs/dbraw/zinc/04/94/42/213049442.db2.gz CUKPKBNVWFYAHM-DOMZBBRYSA-N 1 3 258.365 3.005 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)C1CCC(C(F)(F)F)CC1 ZINC000423178692 299273449 /nfs/dbraw/zinc/27/34/49/299273449.db2.gz GHQNYVAHHVWNHO-UNXYVOJBSA-N 1 3 278.362 3.085 20 0 CGADHO Cc1cc(C)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000294722770 199152452 /nfs/dbraw/zinc/15/24/52/199152452.db2.gz CQIOBNMEFVEWFD-AYHJJNSGSA-N 1 3 272.436 3.327 20 0 CGADHO Cc1cc(C)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000294722770 199152454 /nfs/dbraw/zinc/15/24/54/199152454.db2.gz CQIOBNMEFVEWFD-AYHJJNSGSA-N 1 3 272.436 3.327 20 0 CGADHO Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000294722770 199152455 /nfs/dbraw/zinc/15/24/55/199152455.db2.gz CQIOBNMEFVEWFD-AYHJJNSGSA-N 1 3 272.436 3.327 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)CN1CCCCC1 ZINC000474048997 295972688 /nfs/dbraw/zinc/97/26/88/295972688.db2.gz ZBTUJKMWKZKMFK-JKSUJKDBSA-N 1 3 264.457 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423255980 283587279 /nfs/dbraw/zinc/58/72/79/283587279.db2.gz BDQCJSOTVLNALO-NUEKZKHPSA-N 1 3 260.425 3.014 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl ZINC000181181962 189290302 /nfs/dbraw/zinc/29/03/02/189290302.db2.gz ORDXWVOXARXCTR-MGPQQGTHSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl ZINC000181181962 189290303 /nfs/dbraw/zinc/29/03/03/189290303.db2.gz ORDXWVOXARXCTR-MGPQQGTHSA-N 1 3 296.842 3.180 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241434 189292035 /nfs/dbraw/zinc/29/20/35/189292035.db2.gz ZRMXOJFHEYAFHJ-IXDOHACOSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241434 189292036 /nfs/dbraw/zinc/29/20/36/189292036.db2.gz ZRMXOJFHEYAFHJ-IXDOHACOSA-N 1 3 290.451 3.225 20 0 CGADHO C[C@H](C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1)CN1CCCC1 ZINC000449090694 239171302 /nfs/dbraw/zinc/17/13/02/239171302.db2.gz OGLXDIWGZRGDJS-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@H](CNC[C@@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000449090694 239171306 /nfs/dbraw/zinc/17/13/06/239171306.db2.gz OGLXDIWGZRGDJS-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO Cc1cccc(CC[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000449132220 239197142 /nfs/dbraw/zinc/19/71/42/239197142.db2.gz SUQXFICOCPODIN-SFHVURJKSA-N 1 3 274.452 3.248 20 0 CGADHO C[C@H](O)C[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449236266 239262170 /nfs/dbraw/zinc/26/21/70/239262170.db2.gz XIYLSDWBQPQSQB-GJZGRUSLSA-N 1 3 298.515 3.415 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000450813024 240095297 /nfs/dbraw/zinc/09/52/97/240095297.db2.gz RPXNRXHNKLCVPO-INIZCTEOSA-N 1 3 295.430 3.348 20 0 CGADHO Cc1cnccc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000450813024 240095303 /nfs/dbraw/zinc/09/53/03/240095303.db2.gz RPXNRXHNKLCVPO-INIZCTEOSA-N 1 3 295.430 3.348 20 0 CGADHO Cc1cnccc1N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000450813024 240095304 /nfs/dbraw/zinc/09/53/04/240095304.db2.gz RPXNRXHNKLCVPO-INIZCTEOSA-N 1 3 295.430 3.348 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(C2CC2)c1 ZINC000424374011 299370509 /nfs/dbraw/zinc/37/05/09/299370509.db2.gz KNMUQUKLQADSML-JCURWCKSSA-N 1 3 258.409 3.485 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCCF)CC1 ZINC000462821378 242366130 /nfs/dbraw/zinc/36/61/30/242366130.db2.gz XZOMZUHYSQMZSF-HOCLYGCPSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCF)CC1 ZINC000462821378 242366132 /nfs/dbraw/zinc/36/61/32/242366132.db2.gz XZOMZUHYSQMZSF-HOCLYGCPSA-N 1 3 270.436 3.369 20 0 CGADHO Cc1cc2[nH]c(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2c(C)c1 ZINC000479538345 243110158 /nfs/dbraw/zinc/11/01/58/243110158.db2.gz BUCOWCPDWCTKGJ-OAHLLOKOSA-N 1 3 297.446 3.359 20 0 CGADHO Cc1ccc(C[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000480924573 243170373 /nfs/dbraw/zinc/17/03/73/243170373.db2.gz GZVFPQNKUKJCLU-UHFFFAOYSA-N 1 3 260.425 3.207 20 0 CGADHO C[C@@H]1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000486358012 243361010 /nfs/dbraw/zinc/36/10/10/243361010.db2.gz HKLZEMCUPUEUGY-HZPDHXFCSA-N 1 3 294.483 3.188 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000037643954 369093227 /nfs/dbraw/zinc/09/32/27/369093227.db2.gz BVKBRCKFCWOLQC-DZGCQCFKSA-N 1 3 276.449 3.155 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000037644124 369093347 /nfs/dbraw/zinc/09/33/47/369093347.db2.gz RMYFFALFEKTQJE-KBPBESRZSA-N 1 3 278.465 3.401 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037649529 369097262 /nfs/dbraw/zinc/09/72/62/369097262.db2.gz YOULCIPDELZFLV-QWHCGFSZSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649529 369097266 /nfs/dbraw/zinc/09/72/66/369097266.db2.gz YOULCIPDELZFLV-QWHCGFSZSA-N 1 3 264.438 3.191 20 0 CGADHO CC[NH+]1CCC(NCc2csc3ccccc23)CC1 ZINC000049943308 369423747 /nfs/dbraw/zinc/42/37/47/369423747.db2.gz JIBDBNUQOJQEHO-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO C[C@H](CN[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000062077204 369618284 /nfs/dbraw/zinc/61/82/84/369618284.db2.gz YQVKGQFFLCWMHW-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)CN1CCCC1 ZINC000062077204 369618288 /nfs/dbraw/zinc/61/82/88/369618288.db2.gz YQVKGQFFLCWMHW-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[NH2+]CC1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000063158974 369641691 /nfs/dbraw/zinc/64/16/91/369641691.db2.gz YMPRIQYEYFWENM-GFCCVEGCSA-N 1 3 266.816 3.332 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2ccccc2Br)C1 ZINC000070169721 369786495 /nfs/dbraw/zinc/78/64/95/369786495.db2.gz KCCPZKITPBCPHZ-LBPRGKRZSA-N 1 3 297.240 3.010 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Cl)s1 ZINC000084216970 370012500 /nfs/dbraw/zinc/01/25/00/370012500.db2.gz SLYCNLLDJICBIM-GXSJLCMTSA-N 1 3 258.818 3.009 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451199 370132576 /nfs/dbraw/zinc/13/25/76/370132576.db2.gz LQMFGGIQXAEZLK-ZACQAIPSSA-N 1 3 292.854 3.393 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCS2)c2ccccc21 ZINC000132187005 371157487 /nfs/dbraw/zinc/15/74/87/371157487.db2.gz LZEAQWIHYRQESP-NILFDRSVSA-N 1 3 262.422 3.007 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000151095569 371568367 /nfs/dbraw/zinc/56/83/67/371568367.db2.gz NCDBLVJTBYRVTA-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO C[C@@H]([NH2+]C1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000151239907 371585194 /nfs/dbraw/zinc/58/51/94/371585194.db2.gz NKIUXPSQASCFKA-CQSZACIVSA-N 1 3 276.424 3.220 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCCC1 ZINC000421824429 371647938 /nfs/dbraw/zinc/64/79/38/371647938.db2.gz IPIAPZXMNPKAAW-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000152166141 371679483 /nfs/dbraw/zinc/67/94/83/371679483.db2.gz SNQDUMGUGCHGKD-UONOGXRCSA-N 1 3 264.413 3.076 20 0 CGADHO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1C[C@H]1CCCNC1 ZINC000422560762 371749896 /nfs/dbraw/zinc/74/98/96/371749896.db2.gz YWOABTCGCVVDHN-RDJZCZTQSA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@H]1CCCNC1 ZINC000422560762 371749902 /nfs/dbraw/zinc/74/99/02/371749902.db2.gz YWOABTCGCVVDHN-RDJZCZTQSA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000422560761 371750427 /nfs/dbraw/zinc/75/04/27/371750427.db2.gz YWOABTCGCVVDHN-NVXWUHKLSA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000422560761 371750433 /nfs/dbraw/zinc/75/04/33/371750433.db2.gz YWOABTCGCVVDHN-NVXWUHKLSA-N 1 3 272.436 3.254 20 0 CGADHO Fc1cccc(F)c1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422687697 371754791 /nfs/dbraw/zinc/75/47/91/371754791.db2.gz BVXHGAQVRKOTMD-IAOVAPTHSA-N 1 3 294.389 3.018 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCCCNc2ccccn2)c2ccccc21 ZINC000422700014 371756808 /nfs/dbraw/zinc/75/68/08/371756808.db2.gz FUDMGEJKKAEIFD-IRXDYDNUSA-N 1 3 296.418 3.008 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699547 371757355 /nfs/dbraw/zinc/75/73/55/371757355.db2.gz DPLSSGCUIOXNSQ-BBRMVZONSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699547 371757358 /nfs/dbraw/zinc/75/73/58/371757358.db2.gz DPLSSGCUIOXNSQ-BBRMVZONSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000422708916 371762254 /nfs/dbraw/zinc/76/22/54/371762254.db2.gz CIYRGFNJNLKPMM-RRFJBIMHSA-N 1 3 262.441 3.458 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766069 371792627 /nfs/dbraw/zinc/79/26/27/371792627.db2.gz RKUNWXVTRXIJNR-KGLIPLIRSA-N 1 3 297.240 3.199 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[NH2+]CC[C@@H]3C)cc2c1C ZINC000422726221 371770531 /nfs/dbraw/zinc/77/05/31/371770531.db2.gz ZJIVYSPBWRRCSY-SJCJKPOMSA-N 1 3 285.435 3.262 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000422726914 371770721 /nfs/dbraw/zinc/77/07/21/371770721.db2.gz ATAJOVCOZINIFZ-CQSZACIVSA-N 1 3 283.419 3.132 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000422737316 371774309 /nfs/dbraw/zinc/77/43/09/371774309.db2.gz XHLKESYNHCFNLW-DCAQKATOSA-N 1 3 274.330 3.482 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748852 371782482 /nfs/dbraw/zinc/78/24/82/371782482.db2.gz WNOKJDWNIUBNTK-KBPBESRZSA-N 1 3 252.789 3.090 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1cccc(Cl)c1 ZINC000422761162 371789977 /nfs/dbraw/zinc/78/99/77/371789977.db2.gz LNZUEAZSLHWXJP-CABCVRRESA-N 1 3 266.816 3.132 20 0 CGADHO CCC(CC)c1cc(CNC2CCC(C[NH3+])CC2)on1 ZINC000422778847 371800526 /nfs/dbraw/zinc/80/05/26/371800526.db2.gz FDJPKRLQYAZRRX-UHFFFAOYSA-N 1 3 279.428 3.185 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@H]2CCNCC[C@H]2C)c1 ZINC000422777112 371801693 /nfs/dbraw/zinc/80/16/93/371801693.db2.gz FGAVPFPJACTXEZ-INMHGKMJSA-N 1 3 260.425 3.076 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000422777691 371801872 /nfs/dbraw/zinc/80/18/72/371801872.db2.gz GCYVYECXVYDBHQ-NVXWUHKLSA-N 1 3 274.452 3.380 20 0 CGADHO COc1ccc([C@@H](C)CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422780536 371803771 /nfs/dbraw/zinc/80/37/71/371803771.db2.gz KGPFUHLAQBLUAK-JTUUTPGSSA-N 1 3 288.435 3.061 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422795154 371812798 /nfs/dbraw/zinc/81/27/98/371812798.db2.gz ZRFUESOTZPOKGO-CFVMTHIKSA-N 1 3 275.440 3.468 20 0 CGADHO CCC(CC)(C[NH2+][C@@H](C)C[C@H](C)N)c1ccccc1 ZINC000422796079 371814891 /nfs/dbraw/zinc/81/48/91/371814891.db2.gz IMTXYQPKGRXRFO-GJZGRUSLSA-N 1 3 262.441 3.460 20 0 CGADHO CCC(CC)(CN[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422796079 371814899 /nfs/dbraw/zinc/81/48/99/371814899.db2.gz IMTXYQPKGRXRFO-GJZGRUSLSA-N 1 3 262.441 3.460 20 0 CGADHO CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422809105 371823153 /nfs/dbraw/zinc/82/31/53/371823153.db2.gz PECRSTRHFOXRDC-VXGBXAGGSA-N 1 3 281.469 3.031 20 0 CGADHO Fc1ccc(F)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422817122 371828760 /nfs/dbraw/zinc/82/87/60/371828760.db2.gz CGWHHCXMEWKLJS-OIISXLGYSA-N 1 3 294.389 3.018 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422820238 371828942 /nfs/dbraw/zinc/82/89/42/371828942.db2.gz PPDSRVQYKSYSSF-DGAVXFQQSA-N 1 3 292.389 3.475 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)s1 ZINC000422858724 371843186 /nfs/dbraw/zinc/84/31/86/371843186.db2.gz JBRFCPSBKPOHKB-UONOGXRCSA-N 1 3 252.427 3.060 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000422865232 371845344 /nfs/dbraw/zinc/84/53/44/371845344.db2.gz XHZNSJSMNWTLJN-QWRGUYRKSA-N 1 3 269.458 3.219 20 0 CGADHO C[C@H]([NH3+])c1ccc(NC(=O)c2ccccc2CN(C)C)cc1 ZINC000422869489 371846586 /nfs/dbraw/zinc/84/65/86/371846586.db2.gz AHXFGSHHLYGBSD-ZDUSSCGKSA-N 1 3 297.402 3.020 20 0 CGADHO C[C@H](NCCc1cccc(-c2ccccc2)c1)C1C[NH2+]C1 ZINC000422886270 371853534 /nfs/dbraw/zinc/85/35/34/371853534.db2.gz IQVMYOPAJQINHD-HNNXBMFYSA-N 1 3 280.415 3.094 20 0 CGADHO C[C@H]([NH2+]CCc1cccc(-c2ccccc2)c1)C1CNC1 ZINC000422886270 371853538 /nfs/dbraw/zinc/85/35/38/371853538.db2.gz IQVMYOPAJQINHD-HNNXBMFYSA-N 1 3 280.415 3.094 20 0 CGADHO Cc1ccc(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000422886843 371855936 /nfs/dbraw/zinc/85/59/36/371855936.db2.gz JTKUTRDQZPTENK-NAZJXLNTSA-N 1 3 272.436 3.107 20 0 CGADHO Cc1nc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)sc1C ZINC000422893703 371857628 /nfs/dbraw/zinc/85/76/28/371857628.db2.gz RADKIRXDXCTGEH-WFASDCNBSA-N 1 3 295.496 3.203 20 0 CGADHO CC[C@H](C)[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000154567979 371858084 /nfs/dbraw/zinc/85/80/84/371858084.db2.gz KWDLYTONUAUMFE-INIZCTEOSA-N 1 3 289.467 3.059 20 0 CGADHO CC[C@H](C)[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000154567979 371858088 /nfs/dbraw/zinc/85/80/88/371858088.db2.gz KWDLYTONUAUMFE-INIZCTEOSA-N 1 3 289.467 3.059 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000154679167 371868058 /nfs/dbraw/zinc/86/80/58/371868058.db2.gz QCAYHGYEDRXPKL-MRXNPFEDSA-N 1 3 286.529 3.429 20 0 CGADHO CC[C@H](N[C@H](C)CCC[NH3+])c1cc(F)ccc1F ZINC000422916140 371868144 /nfs/dbraw/zinc/86/81/44/371868144.db2.gz CKNBGNXKKPQLPB-YGRLFVJLSA-N 1 3 256.340 3.133 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000154679167 371868063 /nfs/dbraw/zinc/86/80/63/371868063.db2.gz QCAYHGYEDRXPKL-MRXNPFEDSA-N 1 3 286.529 3.429 20 0 CGADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000422932975 371877735 /nfs/dbraw/zinc/87/77/35/371877735.db2.gz BACLATJETLJFHW-PMUMKWKESA-N 1 3 272.436 3.214 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccc(C(C)(C)C)cc1 ZINC000422931396 371878403 /nfs/dbraw/zinc/87/84/03/371878403.db2.gz XPMFKVAKKKXWQT-UONOGXRCSA-N 1 3 278.440 3.078 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422948549 371886755 /nfs/dbraw/zinc/88/67/55/371886755.db2.gz SICXAVLECJIAGT-CJNGLKHVSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1cccc2ccccc21 ZINC000422940798 371881251 /nfs/dbraw/zinc/88/12/51/371881251.db2.gz JBZDJIJASBIRMZ-YJBOKZPZSA-N 1 3 298.430 3.196 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1=CCCCC1 ZINC000423052300 371935721 /nfs/dbraw/zinc/93/57/21/371935721.db2.gz PNOHLMIFBAGREI-XYPWUTKMSA-N 1 3 262.441 3.386 20 0 CGADHO CSCc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423060672 371941165 /nfs/dbraw/zinc/94/11/65/371941165.db2.gz OXICFBBYETZTSA-JKSUJKDBSA-N 1 3 278.465 3.157 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422959095 371892402 /nfs/dbraw/zinc/89/24/02/371892402.db2.gz QQJBPNLZONHERB-RDJZCZTQSA-N 1 3 290.451 3.296 20 0 CGADHO CC(C)c1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422959095 371892405 /nfs/dbraw/zinc/89/24/05/371892405.db2.gz QQJBPNLZONHERB-RDJZCZTQSA-N 1 3 290.451 3.296 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCOc1cccc(C(C)(C)C)c1 ZINC000422979054 371899983 /nfs/dbraw/zinc/89/99/83/371899983.db2.gz IUOFRUUDHLEFFR-UONOGXRCSA-N 1 3 278.440 3.078 20 0 CGADHO CCCC(O)(CCC)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422982655 371902233 /nfs/dbraw/zinc/90/22/33/371902233.db2.gz XKBUKXBBYPKRFK-BRWVUGGUSA-N 1 3 296.499 3.218 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422982655 371902236 /nfs/dbraw/zinc/90/22/36/371902236.db2.gz XKBUKXBBYPKRFK-BRWVUGGUSA-N 1 3 296.499 3.218 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)c2ccccc21 ZINC000422989852 371904172 /nfs/dbraw/zinc/90/41/72/371904172.db2.gz MHIJPEIOWIDWCG-GDLCADMTSA-N 1 3 266.335 3.299 20 0 CGADHO Cc1c(C)c(C)c(CN[C@H](C)[C@H]2CC[NH2+]C2)c(C)c1C ZINC000422994479 371906262 /nfs/dbraw/zinc/90/62/62/371906262.db2.gz HUHWUQWBJDUGGY-SJORKVTESA-N 1 3 274.452 3.316 20 0 CGADHO Cc1ccccc1O[C@H]1CCCC[C@H]1NC1CC[NH2+]CC1 ZINC000422991317 371906756 /nfs/dbraw/zinc/90/67/56/371906756.db2.gz AXMUDZCTBIYCDS-AEFFLSMTSA-N 1 3 288.435 3.027 20 0 CGADHO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000422991317 371906758 /nfs/dbraw/zinc/90/67/58/371906758.db2.gz AXMUDZCTBIYCDS-AEFFLSMTSA-N 1 3 288.435 3.027 20 0 CGADHO COc1cccc(C(C)(C)CN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423002971 371909736 /nfs/dbraw/zinc/90/97/36/371909736.db2.gz KJIYPDLYYYQKGB-DLBZAZTESA-N 1 3 290.451 3.222 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC23CCC(CC2)C3)c2ccccc21 ZINC000423012543 371914249 /nfs/dbraw/zinc/91/42/49/371914249.db2.gz KWAGRBPXNQLCBP-UNXMRWRESA-N 1 3 256.393 3.301 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC23CCC(CC2)C3)c2ccccc21 ZINC000423012541 371914385 /nfs/dbraw/zinc/91/43/85/371914385.db2.gz KWAGRBPXNQLCBP-HHBUMJEXSA-N 1 3 256.393 3.301 20 0 CGADHO Cc1ccsc1CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423017460 371918727 /nfs/dbraw/zinc/91/87/27/371918727.db2.gz ORHRWSGQCWSIRV-GJZGRUSLSA-N 1 3 280.481 3.499 20 0 CGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1cccc(F)c1F ZINC000423025434 371921703 /nfs/dbraw/zinc/92/17/03/371921703.db2.gz OFCKKNUICCPRQU-WDEREUQCSA-N 1 3 256.340 3.133 20 0 CGADHO Fc1cccc([C@@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423094737 371961259 /nfs/dbraw/zinc/96/12/59/371961259.db2.gz KQWMWTBNFKTECH-KTALTATCSA-N 1 3 288.410 3.334 20 0 CGADHO CCOc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000290348604 371969346 /nfs/dbraw/zinc/96/93/46/371969346.db2.gz FXCAECDXHVUQOX-AEFFLSMTSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000290348604 371969351 /nfs/dbraw/zinc/96/93/51/371969351.db2.gz FXCAECDXHVUQOX-AEFFLSMTSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000290348606 371969477 /nfs/dbraw/zinc/96/94/77/371969477.db2.gz FXCAECDXHVUQOX-SJLPKXTDSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000290348606 371969481 /nfs/dbraw/zinc/96/94/81/371969481.db2.gz FXCAECDXHVUQOX-SJLPKXTDSA-N 1 3 288.435 3.001 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC(F)(F)C2)c2ccccc21 ZINC000423106322 371971027 /nfs/dbraw/zinc/97/10/27/371971027.db2.gz ZQBKKZBMZFXYBW-HONMWMINSA-N 1 3 266.335 3.156 20 0 CGADHO CCOc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000290348609 371971230 /nfs/dbraw/zinc/97/12/30/371971230.db2.gz FXCAECDXHVUQOX-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000290348609 371971232 /nfs/dbraw/zinc/97/12/32/371971232.db2.gz FXCAECDXHVUQOX-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423124136 371978061 /nfs/dbraw/zinc/97/80/61/371978061.db2.gz MCRNMDMAONEAEI-DGAVXFQQSA-N 1 3 292.389 3.333 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC000290399410 371980142 /nfs/dbraw/zinc/98/01/42/371980142.db2.gz JGDXTRBGAVPNLE-MRXNPFEDSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)CC1 ZINC000290399410 371980146 /nfs/dbraw/zinc/98/01/46/371980146.db2.gz JGDXTRBGAVPNLE-MRXNPFEDSA-N 1 3 297.446 3.332 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000423133869 371984896 /nfs/dbraw/zinc/98/48/96/371984896.db2.gz LCOMCAWNCZNRJX-WFASDCNBSA-N 1 3 282.378 3.276 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(C)(F)F)cc1 ZINC000423139570 371986488 /nfs/dbraw/zinc/98/64/88/371986488.db2.gz VNAKVFHFTMIZPE-WDEREUQCSA-N 1 3 256.340 3.014 20 0 CGADHO C=Cc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000423142124 371988273 /nfs/dbraw/zinc/98/82/73/371988273.db2.gz UBLPHBSHFWNHIG-AWEZNQCLSA-N 1 3 295.430 3.385 20 0 CGADHO Cc1cc(CC[NH2+][C@H]2CCNCC[C@@H]2C)ccc1Cl ZINC000423144043 371989489 /nfs/dbraw/zinc/98/94/89/371989489.db2.gz YEEQWUXNOCVITR-LRDDRELGSA-N 1 3 280.843 3.169 20 0 CGADHO Cc1cc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423144043 371989492 /nfs/dbraw/zinc/98/94/92/371989492.db2.gz YEEQWUXNOCVITR-LRDDRELGSA-N 1 3 280.843 3.169 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)C1(O)CCCC1 ZINC000423158186 371996546 /nfs/dbraw/zinc/99/65/46/371996546.db2.gz CIIRFVQHZHITJB-JKSUJKDBSA-N 1 3 296.499 3.218 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCC23CCCC3)c2ccccc21 ZINC000423074625 371949940 /nfs/dbraw/zinc/94/99/40/371949940.db2.gz MJRJTEBUPMYCLV-OWCLPIDISA-N 1 3 256.393 3.444 20 0 CGADHO Cc1ccc(C2(CN[C@@H](C)[C@@H]3CC[NH2+]C3)CCC2)cc1C ZINC000423081258 371951671 /nfs/dbraw/zinc/95/16/71/371951671.db2.gz CKRVQDQJJVLADU-DLBZAZTESA-N 1 3 286.463 3.313 20 0 CGADHO [NH3+]CCCN[C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000423197495 372021890 /nfs/dbraw/zinc/02/18/90/372021890.db2.gz ZPOQSTDNDZOCPH-CYBMUJFWSA-N 1 3 273.207 3.383 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CCN1 ZINC000423396585 372060194 /nfs/dbraw/zinc/06/01/94/372060194.db2.gz UHIVIDXGJGOJPG-WBOJAVRRSA-N 1 3 258.409 3.355 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCCCCC1)CC2 ZINC000423198533 372023203 /nfs/dbraw/zinc/02/32/03/372023203.db2.gz GKGDLDDCWOSYKE-KRWDZBQOSA-N 1 3 288.435 3.324 20 0 CGADHO CNCCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423198639 372023295 /nfs/dbraw/zinc/02/32/95/372023295.db2.gz GYQNACRGDYRTMT-CQSZACIVSA-N 1 3 287.451 3.423 20 0 CGADHO C[NH2+]CCCN[C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423198639 372023298 /nfs/dbraw/zinc/02/32/98/372023298.db2.gz GYQNACRGDYRTMT-CQSZACIVSA-N 1 3 287.451 3.423 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@H]1CCC[NH2+]C1 ZINC000423202022 372026770 /nfs/dbraw/zinc/02/67/70/372026770.db2.gz ADIFXGORRAHROI-IJEWVQPXSA-N 1 3 258.409 3.133 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423222845 372040153 /nfs/dbraw/zinc/04/01/53/372040153.db2.gz CXZVLNDUHHCUMF-KSSFIOAISA-N 1 3 286.394 3.436 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@H](CN)C2CC2)c2ccsc2S1 ZINC000423275921 372045587 /nfs/dbraw/zinc/04/55/87/372045587.db2.gz MIBVIYVRVDJNAV-XXILOJSOSA-N 1 3 268.451 3.000 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423333443 372054101 /nfs/dbraw/zinc/05/41/01/372054101.db2.gz PUMHCVZTDRDIKF-ARFHVFGLSA-N 1 3 252.446 3.181 20 0 CGADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000425363497 372122402 /nfs/dbraw/zinc/12/24/02/372122402.db2.gz WLAZWCDJQGFCTR-DARAHFNDSA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425363497 372122408 /nfs/dbraw/zinc/12/24/08/372122408.db2.gz WLAZWCDJQGFCTR-DARAHFNDSA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363497 372122410 /nfs/dbraw/zinc/12/24/10/372122410.db2.gz WLAZWCDJQGFCTR-DARAHFNDSA-N 1 3 282.497 3.123 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423461880 372066063 /nfs/dbraw/zinc/06/60/63/372066063.db2.gz CYFFBSMCPLLVEH-IRUJWGPZSA-N 1 3 298.352 3.198 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000158662368 372079595 /nfs/dbraw/zinc/07/95/95/372079595.db2.gz AWWZPRWHLPEXMX-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000158662368 372079599 /nfs/dbraw/zinc/07/95/99/372079599.db2.gz AWWZPRWHLPEXMX-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158662368 372079601 /nfs/dbraw/zinc/07/96/01/372079601.db2.gz AWWZPRWHLPEXMX-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662368 372079602 /nfs/dbraw/zinc/07/96/02/372079602.db2.gz AWWZPRWHLPEXMX-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1F ZINC000424378524 372085790 /nfs/dbraw/zinc/08/57/90/372085790.db2.gz SWORJKZDVHLHAS-ZLKJLUDKSA-N 1 3 282.428 3.468 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000158884788 372088455 /nfs/dbraw/zinc/08/84/55/372088455.db2.gz OCNQVJOUPGPVTC-NZSAHSFTSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000158884788 372088459 /nfs/dbraw/zinc/08/84/59/372088459.db2.gz OCNQVJOUPGPVTC-NZSAHSFTSA-N 1 3 284.447 3.480 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+](C)CCCN1CCCC1 ZINC000162146970 372376261 /nfs/dbraw/zinc/37/62/61/372376261.db2.gz GVTKLRULEUIVMH-AWEZNQCLSA-N 1 3 266.454 3.097 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+](C)CCCN1CCCC1 ZINC000162146970 372376266 /nfs/dbraw/zinc/37/62/66/372376266.db2.gz GVTKLRULEUIVMH-AWEZNQCLSA-N 1 3 266.454 3.097 20 0 CGADHO CCn1cc([C@H](C)NCCCCC[NH+]2CCCCC2)cn1 ZINC000164630726 372526256 /nfs/dbraw/zinc/52/62/56/372526256.db2.gz IRXDJNHGSCONCA-INIZCTEOSA-N 1 3 292.471 3.210 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166353998 372572138 /nfs/dbraw/zinc/57/21/38/372572138.db2.gz UFPFOZOLPKNBSO-NWDGAFQWSA-N 1 3 284.856 3.160 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166353998 372572143 /nfs/dbraw/zinc/57/21/43/372572143.db2.gz UFPFOZOLPKNBSO-NWDGAFQWSA-N 1 3 284.856 3.160 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000166557918 372577269 /nfs/dbraw/zinc/57/72/69/372577269.db2.gz TYYFBNJVELJPPZ-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166557918 372577270 /nfs/dbraw/zinc/57/72/70/372577270.db2.gz TYYFBNJVELJPPZ-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO CC1(C)CCN(CCC[NH+]2CCCCC2)CCS1 ZINC000434715370 372703443 /nfs/dbraw/zinc/70/34/43/372703443.db2.gz YBSTVINQHSDQPH-UHFFFAOYSA-N 1 3 270.486 3.080 20 0 CGADHO CCOc1ccc(CN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435391818 372759213 /nfs/dbraw/zinc/75/92/13/372759213.db2.gz ULVZVXRVORJAKK-INIZCTEOSA-N 1 3 276.424 3.049 20 0 CGADHO C[C@@H](Cc1ccccc1)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435398065 372760532 /nfs/dbraw/zinc/76/05/32/372760532.db2.gz MPMGOWIFZKQSHG-QTXGHNMQSA-N 1 3 272.436 3.080 20 0 CGADHO C[C@@H](C[NH2+]CCCCOc1ccccc1)CN1CCCC1 ZINC000438096810 372878464 /nfs/dbraw/zinc/87/84/64/372878464.db2.gz RUCFVYRYOGMPTK-KRWDZBQOSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCOc1ccc2ccccc2c1 ZINC000442797277 373086386 /nfs/dbraw/zinc/08/63/86/373086386.db2.gz WNUWEDBNSLBGJW-CVEARBPZSA-N 1 3 298.430 3.278 20 0 CGADHO CCSCC[C@@H](C)N(C)CCC[NH+]1CCCCC1 ZINC000444571332 373202353 /nfs/dbraw/zinc/20/23/53/373202353.db2.gz QHYZJUCZWAMRPK-OAHLLOKOSA-N 1 3 272.502 3.326 20 0 CGADHO c1cc(N2CCC([NH2+]CC3(C4CC4)CCC3)CC2)ccn1 ZINC000297742910 373279598 /nfs/dbraw/zinc/27/95/98/373279598.db2.gz TVGKEVFAZZMKJG-UHFFFAOYSA-N 1 3 285.435 3.220 20 0 CGADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984727 373615084 /nfs/dbraw/zinc/61/50/84/373615084.db2.gz IBJXDJQTGZUZBO-GVDBMIGSSA-N 1 3 292.467 3.085 20 0 CGADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984727 373615088 /nfs/dbraw/zinc/61/50/88/373615088.db2.gz IBJXDJQTGZUZBO-GVDBMIGSSA-N 1 3 292.467 3.085 20 0 CGADHO CC/C=C\C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449462145 373744729 /nfs/dbraw/zinc/74/47/29/373744729.db2.gz UOIJEXPPYCWTTK-CLTKARDFSA-N 1 3 250.430 3.339 20 0 CGADHO COCCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000178247655 373757469 /nfs/dbraw/zinc/75/74/69/373757469.db2.gz BPFCCYXLNACHHO-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000449477223 373764714 /nfs/dbraw/zinc/76/47/14/373764714.db2.gz OPXGWXOGTBELFI-KBAYOESNSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)OC ZINC000449477223 373764721 /nfs/dbraw/zinc/76/47/21/373764721.db2.gz OPXGWXOGTBELFI-KBAYOESNSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1cc(N(C)CC[N@H+](C)C2CC2)c2ccccc2n1 ZINC000302227991 373834218 /nfs/dbraw/zinc/83/42/18/373834218.db2.gz AJQDYWBOQQDKLU-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1cc(N(C)CC[N@@H+](C)C2CC2)c2ccccc2n1 ZINC000302227991 373834229 /nfs/dbraw/zinc/83/42/29/373834229.db2.gz AJQDYWBOQQDKLU-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO CN(CCCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000179278067 373851200 /nfs/dbraw/zinc/85/12/00/373851200.db2.gz FRRQWRGUDMTRHQ-KRWDZBQOSA-N 1 3 260.425 3.035 20 0 CGADHO CN(CCCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000179278067 373851207 /nfs/dbraw/zinc/85/12/07/373851207.db2.gz FRRQWRGUDMTRHQ-KRWDZBQOSA-N 1 3 260.425 3.035 20 0 CGADHO C[C@H]1C[C@H](NC2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348535 373992829 /nfs/dbraw/zinc/99/28/29/373992829.db2.gz IHEQJECPHUVVMH-GOEBONIOSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@H]1C[C@H](NC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348535 373992836 /nfs/dbraw/zinc/99/28/36/373992836.db2.gz IHEQJECPHUVVMH-GOEBONIOSA-N 1 3 258.409 3.138 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000309893776 374201167 /nfs/dbraw/zinc/20/11/67/374201167.db2.gz FPZQVEGWYKXPFI-CGTJXYLNSA-N 1 3 270.420 3.039 20 0 CGADHO COc1ccc([C@@H](NCC[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000182059911 374210527 /nfs/dbraw/zinc/21/05/27/374210527.db2.gz YALFEIJAUUFAIQ-AEFFLSMTSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@@H](NCC[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059911 374210534 /nfs/dbraw/zinc/21/05/34/374210534.db2.gz YALFEIJAUUFAIQ-AEFFLSMTSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@@H]([NH2+]CC[C@H]2CCCN2C)C(C)C)cc1 ZINC000182059911 374210542 /nfs/dbraw/zinc/21/05/42/374210542.db2.gz YALFEIJAUUFAIQ-AEFFLSMTSA-N 1 3 290.451 3.466 20 0 CGADHO NCCC[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000074339252 541904313 /nfs/dbraw/zinc/90/43/13/541904313.db2.gz UVAGYGVOVHKYQW-UHFFFAOYSA-N 1 3 268.404 3.147 20 0 CGADHO [NH3+]CCCNCCC(c1ccccc1)c1ccccc1 ZINC000074339252 541904318 /nfs/dbraw/zinc/90/43/18/541904318.db2.gz UVAGYGVOVHKYQW-UHFFFAOYSA-N 1 3 268.404 3.147 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1cnc2ccsc2c1)CN(C)C ZINC000311561984 374248130 /nfs/dbraw/zinc/24/81/30/374248130.db2.gz SEMIOTGOVAZURN-NEPJUHHUSA-N 1 3 277.437 3.145 20 0 CGADHO COC1(C[NH2+]C[C@@H](C)CN2CCCCC2)CCCCC1 ZINC000319532164 374345221 /nfs/dbraw/zinc/34/52/21/374345221.db2.gz BMTFFULHGWUQSY-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO COC1(CNC[C@@H](C)C[NH+]2CCCCC2)CCCCC1 ZINC000319532164 374345228 /nfs/dbraw/zinc/34/52/28/374345228.db2.gz BMTFFULHGWUQSY-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1-n1cccn1 ZINC000183176278 374382830 /nfs/dbraw/zinc/38/28/30/374382830.db2.gz SHXDFJLGTCILGW-HOTGVXAUSA-N 1 3 298.434 3.007 20 0 CGADHO CC/C=C\CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453329092 374424670 /nfs/dbraw/zinc/42/46/70/374424670.db2.gz UHZOOONAEICZFQ-IDTUSYRASA-N 1 3 276.424 3.244 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C12CCCC2 ZINC000085680371 541937577 /nfs/dbraw/zinc/93/75/77/541937577.db2.gz MQBXJOMUPJFMGI-GVDBMIGSSA-N 1 3 294.483 3.044 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000250534689 189967333 /nfs/dbraw/zinc/96/73/33/189967333.db2.gz OIQFNMGEDUYMGU-UAGQMJEPSA-N 1 3 258.409 3.171 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCc2ccccc21 ZINC000250534689 189967334 /nfs/dbraw/zinc/96/73/34/189967334.db2.gz OIQFNMGEDUYMGU-UAGQMJEPSA-N 1 3 258.409 3.171 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2cnc(C)s2)CC1 ZINC000090418127 541960646 /nfs/dbraw/zinc/96/06/46/541960646.db2.gz NQGRIYLNVSVWPK-GFCCVEGCSA-N 1 3 281.469 3.224 20 0 CGADHO COCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185681282 374714083 /nfs/dbraw/zinc/71/40/83/374714083.db2.gz JEMUYHOFNJYLNJ-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000116386627 542004288 /nfs/dbraw/zinc/00/42/88/542004288.db2.gz AEAOOEWDQAUZLQ-QZTJIDSGSA-N 1 3 274.452 3.328 20 0 CGADHO C[C@@]1(C[NH2+]C2CCN(C3CCCC3)CC2)CCCS1 ZINC000120487533 542010910 /nfs/dbraw/zinc/01/09/10/542010910.db2.gz PXKUWTVNJOVWSH-INIZCTEOSA-N 1 3 282.497 3.269 20 0 CGADHO C[C@@]1(CNC2CC[NH+](C3CCCC3)CC2)CCCS1 ZINC000120487533 542010913 /nfs/dbraw/zinc/01/09/13/542010913.db2.gz PXKUWTVNJOVWSH-INIZCTEOSA-N 1 3 282.497 3.269 20 0 CGADHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc2c1CCNC2 ZINC000123887165 542030025 /nfs/dbraw/zinc/03/00/25/542030025.db2.gz JPPRVANKUOHQIE-ZIAGYGMSSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc2c1CCNC2 ZINC000124015794 542030101 /nfs/dbraw/zinc/03/01/01/542030101.db2.gz RAZINHMLOOVMJD-CJNGLKHVSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc2c1CCNC2 ZINC000124015794 542030104 /nfs/dbraw/zinc/03/01/04/542030104.db2.gz RAZINHMLOOVMJD-CJNGLKHVSA-N 1 3 258.409 3.095 20 0 CGADHO Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)c2ccccc2n1 ZINC000509049946 375770409 /nfs/dbraw/zinc/77/04/09/375770409.db2.gz AMFUIHMGVRINGM-HNNXBMFYSA-N 1 3 285.435 3.353 20 0 CGADHO CC(C)c1csc(CN[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000128706722 542053029 /nfs/dbraw/zinc/05/30/29/542053029.db2.gz GYCVWJFBTZTZPL-GFCCVEGCSA-N 1 3 281.469 3.086 20 0 CGADHO Fc1ccc2oc(CN3CCC4(CC[NH2+]C4)CC3)cc2c1 ZINC000336564635 375836143 /nfs/dbraw/zinc/83/61/43/375836143.db2.gz DIGZRSYNFNMBJQ-UHFFFAOYSA-N 1 3 288.366 3.147 20 0 CGADHO CN(CCCc1ccccc1)CCC[NH+]1CCCC1 ZINC000193471789 375883068 /nfs/dbraw/zinc/88/30/68/375883068.db2.gz ZURQJCDOTXRSJB-UHFFFAOYSA-N 1 3 260.425 3.037 20 0 CGADHO Cc1ccc(C)n1C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336832802 375995550 /nfs/dbraw/zinc/99/55/50/375995550.db2.gz BHPFKSNLIUGVIN-KRWDZBQOSA-N 1 3 289.467 3.226 20 0 CGADHO Cc1ccc(C)n1C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336832802 375995555 /nfs/dbraw/zinc/99/55/55/375995555.db2.gz BHPFKSNLIUGVIN-KRWDZBQOSA-N 1 3 289.467 3.226 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)[C@H]1CCCO1 ZINC000336846525 376009589 /nfs/dbraw/zinc/00/95/89/376009589.db2.gz AQXAZDRZYKYWEM-CRAIPNDOSA-N 1 3 290.451 3.186 20 0 CGADHO C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCC34CCCC4)CCN2C1 ZINC000336886062 376018553 /nfs/dbraw/zinc/01/85/53/376018553.db2.gz BJBQPURLGJEFNP-OAGGEKHMSA-N 1 3 262.441 3.316 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000536834276 376133705 /nfs/dbraw/zinc/13/37/05/376133705.db2.gz TWZBWELYLSNZCZ-WBVHZDCISA-N 1 3 266.473 3.379 20 0 CGADHO CC[C@@H]([NH2+]CCCN(C)C(C)C)c1ccc(OC)cc1 ZINC000221916010 376223595 /nfs/dbraw/zinc/22/35/95/376223595.db2.gz IKQVSWNBJRLBTM-QGZVFWFLSA-N 1 3 278.440 3.466 20 0 CGADHO CCCC1CCC(C[NH2+]CC2=CCN(C)CC2)CC1 ZINC000538444877 376241649 /nfs/dbraw/zinc/24/16/49/376241649.db2.gz UDWOUKIIPCABJO-UHFFFAOYSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000539506935 376315964 /nfs/dbraw/zinc/31/59/64/376315964.db2.gz HWRDFKAYZGFCOO-SFHVURJKSA-N 1 3 290.426 3.244 20 0 CGADHO CN(CCCOc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226436860 376360054 /nfs/dbraw/zinc/36/00/54/376360054.db2.gz YCMOKQKUDOGUOC-AWEZNQCLSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCCNC1 ZINC000226436860 376360059 /nfs/dbraw/zinc/36/00/59/376360059.db2.gz YCMOKQKUDOGUOC-AWEZNQCLSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCCNC1 ZINC000226436860 376360065 /nfs/dbraw/zinc/36/00/65/376360065.db2.gz YCMOKQKUDOGUOC-AWEZNQCLSA-N 1 3 296.842 3.040 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000227133095 376382431 /nfs/dbraw/zinc/38/24/31/376382431.db2.gz OIQFNMGEDUYMGU-BHYGNILZSA-N 1 3 258.409 3.171 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccccc21 ZINC000227133095 376382436 /nfs/dbraw/zinc/38/24/36/376382436.db2.gz OIQFNMGEDUYMGU-BHYGNILZSA-N 1 3 258.409 3.171 20 0 CGADHO CN1CC=C(C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000540608263 376385390 /nfs/dbraw/zinc/38/53/90/376385390.db2.gz XIUHLPHPBXZBPW-GOSISDBHSA-N 1 3 270.420 3.379 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000227496091 376395504 /nfs/dbraw/zinc/39/55/04/376395504.db2.gz QNXFSCUVUWLEST-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1oc2ccccc2c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228536158 376440284 /nfs/dbraw/zinc/44/02/84/376440284.db2.gz SPBICJDPSXDMIG-IAOVAPTHSA-N 1 3 284.403 3.300 20 0 CGADHO CSCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000229209252 376459853 /nfs/dbraw/zinc/45/98/53/376459853.db2.gz WDJLDCFIEBZUBS-QLFBSQMISA-N 1 3 270.486 3.030 20 0 CGADHO Cc1ccc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000230695986 376535510 /nfs/dbraw/zinc/53/55/10/376535510.db2.gz VWQBPDDVSJFZGY-MQVJKMGUSA-N 1 3 276.399 3.239 20 0 CGADHO F[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000334329229 206378302 /nfs/dbraw/zinc/37/83/02/206378302.db2.gz NRCMSOSSEVNBJI-UKRRQHHQSA-N 1 3 268.420 3.264 20 0 CGADHO F[C@@H]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000334329229 206378306 /nfs/dbraw/zinc/37/83/06/206378306.db2.gz NRCMSOSSEVNBJI-UKRRQHHQSA-N 1 3 268.420 3.264 20 0 CGADHO CCC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236642554 376677346 /nfs/dbraw/zinc/67/73/46/376677346.db2.gz BFPSCGHVLXCWEE-OQSMONGASA-N 1 3 296.499 3.434 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000245441434 376818369 /nfs/dbraw/zinc/81/83/69/376818369.db2.gz HJDUAXUXAZNJBT-JKSUJKDBSA-N 1 3 260.425 3.064 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000245441434 376818374 /nfs/dbraw/zinc/81/83/74/376818374.db2.gz HJDUAXUXAZNJBT-JKSUJKDBSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000245441434 376818382 /nfs/dbraw/zinc/81/83/82/376818382.db2.gz HJDUAXUXAZNJBT-JKSUJKDBSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000245441434 376818387 /nfs/dbraw/zinc/81/83/87/376818387.db2.gz HJDUAXUXAZNJBT-JKSUJKDBSA-N 1 3 260.425 3.064 20 0 CGADHO C[C@@H](c1cccs1)[N@H+](C)CC[C@H]1CCCN1C ZINC000246677443 377071121 /nfs/dbraw/zinc/07/11/21/377071121.db2.gz FXYIBUKMTAJNAC-QWHCGFSZSA-N 1 3 252.427 3.225 20 0 CGADHO C[C@@H](c1cccs1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000246677443 377071126 /nfs/dbraw/zinc/07/11/26/377071126.db2.gz FXYIBUKMTAJNAC-QWHCGFSZSA-N 1 3 252.427 3.225 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000340526705 377125095 /nfs/dbraw/zinc/12/50/95/377125095.db2.gz QRLUGMSASHOZIE-JQFCIGGWSA-N 1 3 294.414 3.168 20 0 CGADHO CCC1CC([NH2+]C[C@@H]2CCCN(CC(C)C)C2)C1 ZINC000560244579 377132686 /nfs/dbraw/zinc/13/26/86/377132686.db2.gz NLAUOSWSKKGSIB-PCKAHOCUSA-N 1 3 252.446 3.133 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000246992471 377134500 /nfs/dbraw/zinc/13/45/00/377134500.db2.gz KHCKSYIPTYLDQK-PMUMKWKESA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000246992471 377134507 /nfs/dbraw/zinc/13/45/07/377134507.db2.gz KHCKSYIPTYLDQK-PMUMKWKESA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000246992471 377134515 /nfs/dbraw/zinc/13/45/15/377134515.db2.gz KHCKSYIPTYLDQK-PMUMKWKESA-N 1 3 290.426 3.381 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246996737 377137066 /nfs/dbraw/zinc/13/70/66/377137066.db2.gz KMBGBODYDGQGOU-PKOBYXMFSA-N 1 3 286.463 3.329 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000247039807 377145746 /nfs/dbraw/zinc/14/57/46/377145746.db2.gz MRCDVZZCZFYTKY-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247234894 377184128 /nfs/dbraw/zinc/18/41/28/377184128.db2.gz XFCZSWLVXVTKRB-BVIKNXMNSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247234894 377184137 /nfs/dbraw/zinc/18/41/37/377184137.db2.gz XFCZSWLVXVTKRB-BVIKNXMNSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1[C@@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248121089 377269978 /nfs/dbraw/zinc/26/99/78/377269978.db2.gz NJURDKLNSRJAOZ-SJORKVTESA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248121089 377269990 /nfs/dbraw/zinc/26/99/90/377269990.db2.gz NJURDKLNSRJAOZ-SJORKVTESA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248121089 377270002 /nfs/dbraw/zinc/27/00/02/377270002.db2.gz NJURDKLNSRJAOZ-SJORKVTESA-N 1 3 272.436 3.474 20 0 CGADHO CSc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000341169967 377430262 /nfs/dbraw/zinc/43/02/62/377430262.db2.gz JHCMRVIEUWEGAB-UHFFFAOYSA-N 1 3 278.465 3.182 20 0 CGADHO CCCCOc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000563416598 377458999 /nfs/dbraw/zinc/45/89/99/377458999.db2.gz HLJJEVXWMBXIQQ-UHFFFAOYSA-N 1 3 276.424 3.051 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000249190524 377476385 /nfs/dbraw/zinc/47/63/85/377476385.db2.gz NUISFGQHJPLVNR-FVQBIDKESA-N 1 3 278.415 3.219 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249190524 377476390 /nfs/dbraw/zinc/47/63/90/377476390.db2.gz NUISFGQHJPLVNR-FVQBIDKESA-N 1 3 278.415 3.219 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000414915864 249124344 /nfs/dbraw/zinc/12/43/44/249124344.db2.gz NIQVAYJCSSKBDU-XWTMOSNGSA-N 1 3 272.436 3.257 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)N)C1)c1ccccc1 ZINC000469858119 249160448 /nfs/dbraw/zinc/16/04/48/249160448.db2.gz BFJWRIVUJPHFRW-DJIMGWMZSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@@H]([C@@H](C)N)C1)c1ccccc1 ZINC000469858119 249160452 /nfs/dbraw/zinc/16/04/52/249160452.db2.gz BFJWRIVUJPHFRW-DJIMGWMZSA-N 1 3 260.425 3.239 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250260828 377557292 /nfs/dbraw/zinc/55/72/92/377557292.db2.gz UFLSDDWPKWEBRR-RCCFBDPRSA-N 1 3 290.426 3.269 20 0 CGADHO Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)cc1 ZINC000250260828 377557298 /nfs/dbraw/zinc/55/72/98/377557298.db2.gz UFLSDDWPKWEBRR-RCCFBDPRSA-N 1 3 290.426 3.269 20 0 CGADHO CCc1ccc(C(C)(C)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000469979306 249165050 /nfs/dbraw/zinc/16/50/50/249165050.db2.gz UVNNNWAHOIYSAS-OAHLLOKOSA-N 1 3 260.425 3.073 20 0 CGADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCCS1 ZINC000250798996 377566244 /nfs/dbraw/zinc/56/62/44/377566244.db2.gz BCXCWFVVKLAXJN-QXSJWSMHSA-N 1 3 282.497 3.173 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CCCCS1 ZINC000250798996 377566251 /nfs/dbraw/zinc/56/62/51/377566251.db2.gz BCXCWFVVKLAXJN-QXSJWSMHSA-N 1 3 282.497 3.173 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000516340740 249231454 /nfs/dbraw/zinc/23/14/54/249231454.db2.gz VDZUMLVGVZCLKD-SWLSCSKDSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000516340740 249231457 /nfs/dbraw/zinc/23/14/57/249231457.db2.gz VDZUMLVGVZCLKD-SWLSCSKDSA-N 1 3 283.419 3.168 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(OC2CCCC2)c1 ZINC000516450340 249233463 /nfs/dbraw/zinc/23/34/63/249233463.db2.gz CGTNMHRAMWHGJQ-ZIAGYGMSSA-N 1 3 276.424 3.223 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CC[C@@H]1C1CC1 ZINC000573858389 377585893 /nfs/dbraw/zinc/58/58/93/377585893.db2.gz WANXIVUCPGEDQP-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000573858389 377585899 /nfs/dbraw/zinc/58/58/99/377585899.db2.gz WANXIVUCPGEDQP-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252119612 377615946 /nfs/dbraw/zinc/61/59/46/377615946.db2.gz JDBUIVCPKFNFLJ-ZVDSWSACSA-N 1 3 250.430 3.028 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000180534677 542211870 /nfs/dbraw/zinc/21/18/70/542211870.db2.gz YINNPDXNGSZTGZ-CQSZACIVSA-N 1 3 278.444 3.025 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261688731 377840323 /nfs/dbraw/zinc/84/03/23/377840323.db2.gz NDNWVMHIGJWROP-MDASCCDHSA-N 1 3 280.415 3.442 20 0 CGADHO C[C@@H](c1ccccc1F)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261572262 377818948 /nfs/dbraw/zinc/81/89/48/377818948.db2.gz SKHGYSVYSZMFPO-RDBSUJKOSA-N 1 3 264.388 3.207 20 0 CGADHO COc1ccc2cc(CN3CC[C@](C)(C[NH3+])C3)ccc2c1 ZINC000261598229 377825952 /nfs/dbraw/zinc/82/59/52/377825952.db2.gz AVNFXRNIJLMCOE-GOSISDBHSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc2cc(C[N@@H+]3CC[C@](C)(CN)C3)ccc2c1 ZINC000261598229 377825956 /nfs/dbraw/zinc/82/59/56/377825956.db2.gz AVNFXRNIJLMCOE-GOSISDBHSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc2cc(C[N@H+]3CC[C@](C)(CN)C3)ccc2c1 ZINC000261598229 377825965 /nfs/dbraw/zinc/82/59/65/377825965.db2.gz AVNFXRNIJLMCOE-GOSISDBHSA-N 1 3 284.403 3.019 20 0 CGADHO C[NH2+]CCC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000262011163 377878484 /nfs/dbraw/zinc/87/84/84/377878484.db2.gz UCGLHYPBPRPMSL-UHFFFAOYSA-N 1 3 298.833 3.343 20 0 CGADHO COc1ccc([C@H]([NH2+]C[C@H](C)CN(C)C)C(C)C)cc1 ZINC000425946222 295245081 /nfs/dbraw/zinc/24/50/81/295245081.db2.gz OAHMKNPBDATMQM-WMLDXEAASA-N 1 3 278.440 3.180 20 0 CGADHO COc1ccc([C@H](NC[C@H](C)C[NH+](C)C)C(C)C)cc1 ZINC000425946222 295245083 /nfs/dbraw/zinc/24/50/83/295245083.db2.gz OAHMKNPBDATMQM-WMLDXEAASA-N 1 3 278.440 3.180 20 0 CGADHO C[C@@]1(CN2CCC(Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000261746025 377849199 /nfs/dbraw/zinc/84/91/99/377849199.db2.gz JAESPSGCSPYZFR-GOSISDBHSA-N 1 3 290.426 3.080 20 0 CGADHO CN(Cc1cccc2ccccc21)C[C@@]1(C)CC[NH2+]C1 ZINC000261751169 377849629 /nfs/dbraw/zinc/84/96/29/377849629.db2.gz JRZXPXJKTNLJDH-SFHVURJKSA-N 1 3 268.404 3.271 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc2ccccc2n1 ZINC000575742183 377986080 /nfs/dbraw/zinc/98/60/80/377986080.db2.gz PTEOFLAREHPAMX-AEFFLSMTSA-N 1 3 283.419 3.027 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000343624609 378044628 /nfs/dbraw/zinc/04/46/28/378044628.db2.gz QVDJWZGJNXGNBI-MSOLQXFVSA-N 1 3 272.436 3.208 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H](N)C2)c(C)c1 ZINC000577964020 378026521 /nfs/dbraw/zinc/02/65/21/378026521.db2.gz WLQMCYTXXBNAEC-JKSUJKDBSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000577964020 378026530 /nfs/dbraw/zinc/02/65/30/378026530.db2.gz WLQMCYTXXBNAEC-JKSUJKDBSA-N 1 3 274.452 3.441 20 0 CGADHO C[C@H](NCCCC[NH+](C)C)c1nc(C(F)(F)F)cs1 ZINC000343851457 378114405 /nfs/dbraw/zinc/11/44/05/378114405.db2.gz ZDCLCECHDLRLNO-VIFPVBQESA-N 1 3 295.374 3.154 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)COC2)CN1CCCC1 ZINC000268894115 378145694 /nfs/dbraw/zinc/14/56/94/378145694.db2.gz VJRGSSCWATUJHR-GJZGRUSLSA-N 1 3 288.435 3.099 20 0 CGADHO C[NH2+]C[C@@H]1CCN(C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837626 378200119 /nfs/dbraw/zinc/20/01/19/378200119.db2.gz KGXXSGKBXNINCN-WMZOPIPTSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@@H]1CC[N@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837626 378200123 /nfs/dbraw/zinc/20/01/23/378200123.db2.gz KGXXSGKBXNINCN-WMZOPIPTSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837626 378200131 /nfs/dbraw/zinc/20/01/31/378200131.db2.gz KGXXSGKBXNINCN-WMZOPIPTSA-N 1 3 274.452 3.358 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+]CC1=CCN(C)CC1 ZINC000345169738 378212230 /nfs/dbraw/zinc/21/22/30/378212230.db2.gz HFRFEXGENTVAOJ-MRXNPFEDSA-N 1 3 272.436 3.107 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000565225780 322067697 /nfs/dbraw/zinc/06/76/97/322067697.db2.gz GXFOALBYMJSQAK-HOTGVXAUSA-N 1 3 260.425 3.132 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000269035014 378178811 /nfs/dbraw/zinc/17/88/11/378178811.db2.gz FKRWTXDXCBDSQX-CPUCHLNUSA-N 1 3 288.435 3.145 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000582327894 378304964 /nfs/dbraw/zinc/30/49/64/378304964.db2.gz CDMVSAHLXKFIEB-BBRMVZONSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000582327894 378304967 /nfs/dbraw/zinc/30/49/67/378304967.db2.gz CDMVSAHLXKFIEB-BBRMVZONSA-N 1 3 280.843 3.420 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc2ccccc2n1 ZINC000271810891 378506803 /nfs/dbraw/zinc/50/68/03/378506803.db2.gz ARAPJONZEXCLBJ-CQSZACIVSA-N 1 3 281.403 3.147 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc2ccccc2n1 ZINC000271810891 378506806 /nfs/dbraw/zinc/50/68/06/378506806.db2.gz ARAPJONZEXCLBJ-CQSZACIVSA-N 1 3 281.403 3.147 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000346375627 378559840 /nfs/dbraw/zinc/55/98/40/378559840.db2.gz ZFSOKVCLSJRCQU-SOLBZPMBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCOC2)CC1 ZINC000346375627 378559845 /nfs/dbraw/zinc/55/98/45/378559845.db2.gz ZFSOKVCLSJRCQU-SOLBZPMBSA-N 1 3 294.483 3.046 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000272754496 378699365 /nfs/dbraw/zinc/69/93/65/378699365.db2.gz OPJMFFQOQMNLBU-UHFFFAOYSA-N 1 3 298.402 3.353 20 0 CGADHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1ccccc1F ZINC000272694475 378690074 /nfs/dbraw/zinc/69/00/74/378690074.db2.gz XOMIAFDJVGCIPQ-MRXNPFEDSA-N 1 3 262.372 3.128 20 0 CGADHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccccc1F ZINC000272694475 378690078 /nfs/dbraw/zinc/69/00/78/378690078.db2.gz XOMIAFDJVGCIPQ-MRXNPFEDSA-N 1 3 262.372 3.128 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc2cccnc12 ZINC000346817815 378691372 /nfs/dbraw/zinc/69/13/72/378691372.db2.gz GCNYRHJIEHCXSD-KSZLIROESA-N 1 3 295.430 3.102 20 0 CGADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347938374 378734819 /nfs/dbraw/zinc/73/48/19/378734819.db2.gz SGVIZSOGXNJOGT-UKRRQHHQSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000346966110 378699644 /nfs/dbraw/zinc/69/96/44/378699644.db2.gz CNPBOSJFKYAAHE-JKIFEVAISA-N 1 3 276.399 3.208 20 0 CGADHO CSC1(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000347840884 378726419 /nfs/dbraw/zinc/72/64/19/378726419.db2.gz FIXQTDLGOTYVIU-MRXNPFEDSA-N 1 3 296.524 3.326 20 0 CGADHO CSC1(C[N@@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CC1 ZINC000347840884 378726424 /nfs/dbraw/zinc/72/64/24/378726424.db2.gz FIXQTDLGOTYVIU-MRXNPFEDSA-N 1 3 296.524 3.326 20 0 CGADHO CSC1(C[N@H+]2CCC[C@H](CN3CCC(C)CC3)C2)CC1 ZINC000347840884 378726428 /nfs/dbraw/zinc/72/64/28/378726428.db2.gz FIXQTDLGOTYVIU-MRXNPFEDSA-N 1 3 296.524 3.326 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C2CCC2)CC1)C1CCCCC1 ZINC000638424750 378798401 /nfs/dbraw/zinc/79/84/01/378798401.db2.gz JFRPQSDVPJXOSI-SFHVURJKSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(c2ccccc2)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346825877 218025961 /nfs/dbraw/zinc/02/59/61/218025961.db2.gz GZHWREPCRZIKMJ-MRXNPFEDSA-N 1 3 272.436 3.040 20 0 CGADHO CC1(c2ccccc2)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346825877 218025963 /nfs/dbraw/zinc/02/59/63/218025963.db2.gz GZHWREPCRZIKMJ-MRXNPFEDSA-N 1 3 272.436 3.040 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000348250146 378863775 /nfs/dbraw/zinc/86/37/75/378863775.db2.gz WGGOBKOYTXDYEG-XMTFNYHQSA-N 1 3 272.436 3.253 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccccc1F ZINC000346973620 218074580 /nfs/dbraw/zinc/07/45/80/218074580.db2.gz YXOTUJYDVWHJQT-INIZCTEOSA-N 1 3 278.415 3.174 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccccc1F ZINC000346973620 218074581 /nfs/dbraw/zinc/07/45/81/218074581.db2.gz YXOTUJYDVWHJQT-INIZCTEOSA-N 1 3 278.415 3.174 20 0 CGADHO CCOc1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278545535 194035459 /nfs/dbraw/zinc/03/54/59/194035459.db2.gz YCBIPZRSKYFTIG-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@H]2CCC[NH2+]C2)C1 ZINC000346989845 218081262 /nfs/dbraw/zinc/08/12/62/218081262.db2.gz SDZSCUJGAVIIBW-JKIFEVAISA-N 1 3 276.399 3.208 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000278584392 194056119 /nfs/dbraw/zinc/05/61/19/194056119.db2.gz QEUIAFDRUDMISM-HIFRSBDPSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000278584392 194056120 /nfs/dbraw/zinc/05/61/20/194056120.db2.gz QEUIAFDRUDMISM-HIFRSBDPSA-N 1 3 296.480 3.208 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000347158826 218140503 /nfs/dbraw/zinc/14/05/03/218140503.db2.gz FMTSRUPHRRUIFO-CYBMUJFWSA-N 1 3 272.417 3.196 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c(C)s1 ZINC000277055068 379056146 /nfs/dbraw/zinc/05/61/46/379056146.db2.gz CUGBCTAXNFLVTG-OAHLLOKOSA-N 1 3 266.454 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c(C)s1 ZINC000277055068 379056150 /nfs/dbraw/zinc/05/61/50/379056150.db2.gz CUGBCTAXNFLVTG-OAHLLOKOSA-N 1 3 266.454 3.281 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@@H](F)C1 ZINC000567894546 322182039 /nfs/dbraw/zinc/18/20/39/322182039.db2.gz BUHHHUKCJUPHLJ-APIJFGDWSA-N 1 3 256.409 3.168 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000639169580 379089989 /nfs/dbraw/zinc/08/99/89/379089989.db2.gz GALSOBNURDNFEI-DLBZAZTESA-N 1 3 286.463 3.111 20 0 CGADHO Cc1cc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000278768539 194147533 /nfs/dbraw/zinc/14/75/33/194147533.db2.gz OEEMQQRCXHLAJN-DLBZAZTESA-N 1 3 267.376 3.247 20 0 CGADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(F)c1 ZINC000373523390 379292449 /nfs/dbraw/zinc/29/24/49/379292449.db2.gz PFPRABIYQOVEGX-NVPAJSRCSA-N 1 3 276.399 3.493 20 0 CGADHO Cc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000374074544 379372170 /nfs/dbraw/zinc/37/21/70/379372170.db2.gz LKDICJUATZLIHK-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO COC1CCC(CC[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000349722800 379357580 /nfs/dbraw/zinc/35/75/80/379357580.db2.gz QALAKEGVGUVAPU-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000280731871 379775407 /nfs/dbraw/zinc/77/54/07/379775407.db2.gz GYZKVPHBPZQVPS-DKIMLUQUSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000280731871 379775415 /nfs/dbraw/zinc/77/54/15/379775415.db2.gz GYZKVPHBPZQVPS-DKIMLUQUSA-N 1 3 288.410 3.288 20 0 CGADHO CN(CCCC[NH+]1CCCCC1)CCC(F)(F)F ZINC000640531356 379820317 /nfs/dbraw/zinc/82/03/17/379820317.db2.gz OKGJSHXKOHUIQQ-UHFFFAOYSA-N 1 3 266.351 3.137 20 0 CGADHO CC[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402710560 379971733 /nfs/dbraw/zinc/97/17/33/379971733.db2.gz ULLPAICRKOFUBK-WOPDTQHZSA-N 1 3 266.351 3.085 20 0 CGADHO c1coc([C@@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)c1 ZINC000401066478 379957048 /nfs/dbraw/zinc/95/70/48/379957048.db2.gz ZGUBYGWMRAFACJ-MTNOOBJLSA-N 1 3 296.414 3.347 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2CC2)C1 ZINC000409446017 380034146 /nfs/dbraw/zinc/03/41/46/380034146.db2.gz AWZCKYLSKAQCNW-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2CC2)C1 ZINC000409446017 380034152 /nfs/dbraw/zinc/03/41/52/380034152.db2.gz AWZCKYLSKAQCNW-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446017 380034155 /nfs/dbraw/zinc/03/41/55/380034155.db2.gz AWZCKYLSKAQCNW-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446017 380034159 /nfs/dbraw/zinc/03/41/59/380034159.db2.gz AWZCKYLSKAQCNW-NVXWUHKLSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1C ZINC000643031778 380204914 /nfs/dbraw/zinc/20/49/14/380204914.db2.gz XXKQRPBPZSMONU-YOEHRIQHSA-N 1 3 281.403 3.040 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cc2c(s1)CCC2 ZINC000643502136 380324486 /nfs/dbraw/zinc/32/44/86/380324486.db2.gz YBFRGYXECZHFDA-DGCLKSJQSA-N 1 3 264.438 3.030 20 0 CGADHO c1c[nH]c([C@@H](NCC[C@H]2CCC[NH2+]C2)C2CCCCC2)n1 ZINC000643510698 380331725 /nfs/dbraw/zinc/33/17/25/380331725.db2.gz RUSQBDXVAWGHRP-ZBFHGGJFSA-N 1 3 290.455 3.010 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643512409 380334191 /nfs/dbraw/zinc/33/41/91/380334191.db2.gz USZUOJQXSMEZCW-RCCFBDPRSA-N 1 3 272.436 3.041 20 0 CGADHO Cc1cc(C)c([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1C ZINC000643521467 380335754 /nfs/dbraw/zinc/33/57/54/380335754.db2.gz JGEDTLSFJBPUAM-HOTGVXAUSA-N 1 3 260.425 3.405 20 0 CGADHO COc1ccccc1C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000643457447 380309450 /nfs/dbraw/zinc/30/94/50/380309450.db2.gz CKMLJJQGAWKWML-ZBFHGGJFSA-N 1 3 290.451 3.080 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@@H](C)[C@H]1OC ZINC000643547906 380363559 /nfs/dbraw/zinc/36/35/59/380363559.db2.gz KRCPUMKQIZWGRA-KLHDSHLOSA-N 1 3 294.483 3.090 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccccc2)C[C@H]1C ZINC000354205270 380364253 /nfs/dbraw/zinc/36/42/53/380364253.db2.gz HTCVQNCREUJFAE-IAGOWNOFSA-N 1 3 290.451 3.260 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccccc2)C[C@H]1C ZINC000354205270 380364259 /nfs/dbraw/zinc/36/42/59/380364259.db2.gz HTCVQNCREUJFAE-IAGOWNOFSA-N 1 3 290.451 3.260 20 0 CGADHO CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548585 380364838 /nfs/dbraw/zinc/36/48/38/380364838.db2.gz RLOPVRZEYCBKCM-HRCADAONSA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548585 380364841 /nfs/dbraw/zinc/36/48/41/380364841.db2.gz RLOPVRZEYCBKCM-HRCADAONSA-N 1 3 294.483 3.090 20 0 CGADHO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548913 380365523 /nfs/dbraw/zinc/36/55/23/380365523.db2.gz XJPQILXDXXJPGF-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCNCC1 ZINC000414716919 380385208 /nfs/dbraw/zinc/38/52/08/380385208.db2.gz PEEQRKRTOXPJQB-BZSNNMDCSA-N 1 3 272.436 3.254 20 0 CGADHO CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCNCC1 ZINC000414716919 380385220 /nfs/dbraw/zinc/38/52/20/380385220.db2.gz PEEQRKRTOXPJQB-BZSNNMDCSA-N 1 3 272.436 3.254 20 0 CGADHO [NH3+]CCCN1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000414761194 380394210 /nfs/dbraw/zinc/39/42/10/380394210.db2.gz SKQNRASWIQKEKH-LJQANCHMSA-N 1 3 280.415 3.177 20 0 CGADHO Fc1ccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643521908 380337641 /nfs/dbraw/zinc/33/76/41/380337641.db2.gz FERKGBYLAGRLTQ-HOTGVXAUSA-N 1 3 262.372 3.009 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643522983 380339124 /nfs/dbraw/zinc/33/91/24/380339124.db2.gz RTWQHXRXPIOSMM-OWCLPIDISA-N 1 3 252.446 3.323 20 0 CGADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643529020 380347131 /nfs/dbraw/zinc/34/71/31/380347131.db2.gz SSOJQYPEIIKDKX-ZIAGYGMSSA-N 1 3 284.403 3.360 20 0 CGADHO NC[C@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414652744 380352864 /nfs/dbraw/zinc/35/28/64/380352864.db2.gz HBTKXKAGHXVDFR-UPTPFMHGSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414652744 380352869 /nfs/dbraw/zinc/35/28/69/380352869.db2.gz HBTKXKAGHXVDFR-UPTPFMHGSA-N 1 3 272.436 3.241 20 0 CGADHO Cc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662019 380358170 /nfs/dbraw/zinc/35/81/70/380358170.db2.gz PLKFGYJLDWSABE-YPMHNXCESA-N 1 3 286.341 3.183 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546478 380359875 /nfs/dbraw/zinc/35/98/75/380359875.db2.gz PHLMDFKTQDQCOK-OLZOCXBDSA-N 1 3 264.438 3.382 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547405 380363102 /nfs/dbraw/zinc/36/31/02/380363102.db2.gz FAVWDIQTFLAUDV-MCIONIFRSA-N 1 3 250.430 3.075 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccc(F)cc1 ZINC000414809714 380422811 /nfs/dbraw/zinc/42/28/11/380422811.db2.gz MSONUBBPHFNOBV-ZDUSSCGKSA-N 1 3 266.404 3.254 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)c1 ZINC000414817648 380428769 /nfs/dbraw/zinc/42/87/69/380428769.db2.gz BJVIOHDMHAWRKV-BQFCYCMXSA-N 1 3 274.452 3.294 20 0 CGADHO C[C@H]([NH2+]CCCC1CCCCC1)[C@@H]1CCCNC1 ZINC000414821887 380432690 /nfs/dbraw/zinc/43/26/90/380432690.db2.gz MGFBLZFOSRSCRS-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414835497 380444157 /nfs/dbraw/zinc/44/41/57/380444157.db2.gz UGXJJMYLHBKJFI-JWTNVVGKSA-N 1 3 272.436 3.225 20 0 CGADHO C(CC1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414840334 380447861 /nfs/dbraw/zinc/44/78/61/380447861.db2.gz YPBJNMDSVKBXFE-XYPWUTKMSA-N 1 3 250.430 3.220 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414843025 380449568 /nfs/dbraw/zinc/44/95/68/380449568.db2.gz PLIIHKMNKYTTKO-APHBMKBZSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414843025 380449571 /nfs/dbraw/zinc/44/95/71/380449571.db2.gz PLIIHKMNKYTTKO-APHBMKBZSA-N 1 3 280.843 3.421 20 0 CGADHO COc1ccccc1C[C@@H](C)NCC1([NH3+])CCCCCC1 ZINC000414857208 380458326 /nfs/dbraw/zinc/45/83/26/380458326.db2.gz BVNHHLFFMCNGKV-OAHLLOKOSA-N 1 3 290.451 3.268 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000414848825 380451171 /nfs/dbraw/zinc/45/11/71/380451171.db2.gz XMOHMAFQZINUFG-BHYGNILZSA-N 1 3 260.425 3.076 20 0 CGADHO C[NH2+]C[C@@H](C)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854508 380456283 /nfs/dbraw/zinc/45/62/83/380456283.db2.gz VBUNDMNYGYOJBE-VXGBXAGGSA-N 1 3 288.357 3.254 20 0 CGADHO CNC[C@@H](C)C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854508 380456290 /nfs/dbraw/zinc/45/62/90/380456290.db2.gz VBUNDMNYGYOJBE-VXGBXAGGSA-N 1 3 288.357 3.254 20 0 CGADHO Cc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1F ZINC000414802408 380414775 /nfs/dbraw/zinc/41/47/75/380414775.db2.gz BKHOBXBJAKTVEL-CYBMUJFWSA-N 1 3 272.367 3.444 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000414803850 380416379 /nfs/dbraw/zinc/41/63/79/380416379.db2.gz OIJXPKIIEJCUAB-XHDPSFHLSA-N 1 3 276.355 3.179 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccc(F)cc1 ZINC000414809712 380422504 /nfs/dbraw/zinc/42/25/04/380422504.db2.gz MSONUBBPHFNOBV-CYBMUJFWSA-N 1 3 266.404 3.254 20 0 CGADHO CCSc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414927975 380491028 /nfs/dbraw/zinc/49/10/28/380491028.db2.gz PSFUBFXMPYLQIG-UONOGXRCSA-N 1 3 264.438 3.158 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000414927988 380491820 /nfs/dbraw/zinc/49/18/20/380491820.db2.gz PSYFEAKSRJFKMC-GHMZBOCLSA-N 1 3 273.207 3.353 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414930201 380494166 /nfs/dbraw/zinc/49/41/66/380494166.db2.gz SPSCRGSKKRBTGV-ZIAGYGMSSA-N 1 3 286.341 3.373 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCN1 ZINC000414948507 380502581 /nfs/dbraw/zinc/50/25/81/380502581.db2.gz MEKBTLAMNTZNCW-VDHUWJSZSA-N 1 3 272.436 3.128 20 0 CGADHO NC1(C[NH2+]Cc2cccc3cccnc32)CCCCCC1 ZINC000414857741 380459172 /nfs/dbraw/zinc/45/91/72/380459172.db2.gz FQXNLKIOTREZFQ-UHFFFAOYSA-N 1 3 283.419 3.376 20 0 CGADHO C[C@H](NCc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414861350 380461432 /nfs/dbraw/zinc/46/14/32/380461432.db2.gz WLRINZNNVCRVNA-KXBFYZLASA-N 1 3 295.430 3.226 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1NCCC[NH+](C(C)C)C(C)C ZINC000354507705 380463839 /nfs/dbraw/zinc/46/38/39/380463839.db2.gz JBOKIXHWDBXXAD-IRXDYDNUSA-N 1 3 284.488 3.290 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000354507705 380463846 /nfs/dbraw/zinc/46/38/46/380463846.db2.gz JBOKIXHWDBXXAD-IRXDYDNUSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H](C)CN ZINC000414877332 380472055 /nfs/dbraw/zinc/47/20/55/380472055.db2.gz MKUSCMTYWJQMTP-VHSXEESVSA-N 1 3 275.223 3.109 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@@H](C)C[NH3+] ZINC000414877332 380472058 /nfs/dbraw/zinc/47/20/58/380472058.db2.gz MKUSCMTYWJQMTP-VHSXEESVSA-N 1 3 275.223 3.109 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000414885309 380474268 /nfs/dbraw/zinc/47/42/68/380474268.db2.gz WSLVPWDWDYPHQM-XOSAIJSUSA-N 1 3 260.425 3.143 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CCC[C@@H]1c1ccccc1Cl)C1CC1 ZINC000414895267 380478134 /nfs/dbraw/zinc/47/81/34/380478134.db2.gz WOMDSBBHTRXJIL-FVQBIDKESA-N 1 3 278.827 3.303 20 0 CGADHO c1ccc(C[C@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414900963 380482495 /nfs/dbraw/zinc/48/24/95/380482495.db2.gz FIXXNNLWFIMAFE-KZNAEPCWSA-N 1 3 272.436 3.130 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000645474377 380687154 /nfs/dbraw/zinc/68/71/54/380687154.db2.gz OAKPDLWGHCTBLU-YHUYYLMFSA-N 1 3 250.430 3.172 20 0 CGADHO C(C[NH2+]C1CC2(C1)CCCCC2)CN1CCCC1 ZINC000421323434 380873565 /nfs/dbraw/zinc/87/35/65/380873565.db2.gz ANEAFURMMVCSHR-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO C[C@H]([NH2+][C@@H]1[C@H](C)CCN[C@H]1C)c1cccc(Cl)c1 ZINC000420376166 380852012 /nfs/dbraw/zinc/85/20/12/380852012.db2.gz UUNQTBSFZCLTKI-OXJKWZBOSA-N 1 3 266.816 3.377 20 0 CGADHO CCCc1csc(CNC2CCC([NH+](C)C)CC2)n1 ZINC000421367329 380902082 /nfs/dbraw/zinc/90/20/82/380902082.db2.gz DSJQISBTKPFGRM-UHFFFAOYSA-N 1 3 281.469 3.058 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000358366659 381305391 /nfs/dbraw/zinc/30/53/91/381305391.db2.gz IWEYWEJIWYPGOA-JZXOWHBKSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CO)CCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358366659 381305402 /nfs/dbraw/zinc/30/54/02/381305402.db2.gz IWEYWEJIWYPGOA-JZXOWHBKSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCOCC1 ZINC000358466076 381310961 /nfs/dbraw/zinc/31/09/61/381310961.db2.gz ILSZPVLWCSZLHY-YQQAZPJKSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ccccc1C[NH2+]CC(C)(C)CN1CCCC1 ZINC000360183007 381470768 /nfs/dbraw/zinc/47/07/68/381470768.db2.gz YWPMFNJAOYNMHL-UHFFFAOYSA-N 1 3 260.425 3.207 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000360235102 381493437 /nfs/dbraw/zinc/49/34/37/381493437.db2.gz RQTCDFRJZKNGGU-LSDHHAIUSA-N 1 3 288.435 3.099 20 0 CGADHO Cc1cc(C)c2c(c1)C[N@H+](CC[C@H]1CCCN1C)CC2 ZINC000362595475 382072234 /nfs/dbraw/zinc/07/22/34/382072234.db2.gz DBYAGGHLVNIYFP-QGZVFWFLSA-N 1 3 272.436 3.146 20 0 CGADHO Cc1cc(C)c2c(c1)C[N@@H+](CC[C@H]1CCCN1C)CC2 ZINC000362595475 382072238 /nfs/dbraw/zinc/07/22/38/382072238.db2.gz DBYAGGHLVNIYFP-QGZVFWFLSA-N 1 3 272.436 3.146 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363795114 382257135 /nfs/dbraw/zinc/25/71/35/382257135.db2.gz YAQWVBKLJJIQKW-PVAVHDDUSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363795114 382257138 /nfs/dbraw/zinc/25/71/38/382257138.db2.gz YAQWVBKLJJIQKW-PVAVHDDUSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000363795114 382257140 /nfs/dbraw/zinc/25/71/40/382257140.db2.gz YAQWVBKLJJIQKW-PVAVHDDUSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1ccncc1CCC[NH2+]CCCN1CCC(C)CC1 ZINC000289240172 197272793 /nfs/dbraw/zinc/27/27/93/197272793.db2.gz LAMUKKCJNKDLMG-UHFFFAOYSA-N 1 3 289.467 3.034 20 0 CGADHO Cc1ccncc1CCCNCCC[NH+]1CCC(C)CC1 ZINC000289240172 197272794 /nfs/dbraw/zinc/27/27/94/197272794.db2.gz LAMUKKCJNKDLMG-UHFFFAOYSA-N 1 3 289.467 3.034 20 0 CGADHO COc1ccc([C@H](CCC(C)C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423438626 533179735 /nfs/dbraw/zinc/17/97/35/533179735.db2.gz HCVJYRLVGROYJY-CPUCHLNUSA-N 1 3 278.440 3.498 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000423393532 533525151 /nfs/dbraw/zinc/52/51/51/533525151.db2.gz YRLCBQSDDSXKIM-PBFPGSCMSA-N 1 3 258.409 3.355 20 0 CGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(CO)c1 ZINC000423495365 533509151 /nfs/dbraw/zinc/50/91/51/533509151.db2.gz CAPLSMLIJLDKSC-BEFAXECRSA-N 1 3 298.430 3.310 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424370094 533652911 /nfs/dbraw/zinc/65/29/11/533652911.db2.gz CQQLKQCAXASUQO-IUIKQTSFSA-N 1 3 282.378 3.145 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000386105755 542603526 /nfs/dbraw/zinc/60/35/26/542603526.db2.gz SIVIROZLUZENEK-FZKCQIBNSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc([C@@H]2CC[N@@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000388349424 542605370 /nfs/dbraw/zinc/60/53/70/542605370.db2.gz PLNVDLUGIVYALP-GOSISDBHSA-N 1 3 292.426 3.322 20 0 CGADHO c1ccc([C@@H]2CC[N@H+](Cc3cccc4c3CCNC4)C2)cc1 ZINC000388349424 542605374 /nfs/dbraw/zinc/60/53/74/542605374.db2.gz PLNVDLUGIVYALP-GOSISDBHSA-N 1 3 292.426 3.322 20 0 CGADHO C[C@@H]1CCN(CCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699000 542638567 /nfs/dbraw/zinc/63/85/67/542638567.db2.gz DROVBBDCEUNSSH-BXUZGUMPSA-N 1 3 286.341 3.437 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000414926647 542640607 /nfs/dbraw/zinc/64/06/07/542640607.db2.gz NQKCKJPIXWDKBL-YYIAUSFCSA-N 1 3 276.399 3.321 20 0 CGADHO CC(C)(C)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414922885 542640665 /nfs/dbraw/zinc/64/06/65/542640665.db2.gz HQDHLFRIKZJVJS-RYUDHWBXSA-N 1 3 266.454 3.405 20 0 CGADHO CC[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613834 542652996 /nfs/dbraw/zinc/65/29/96/542652996.db2.gz JRVMTFZMSZJBFL-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@@H](CC)C2)C1 ZINC000431613834 542652998 /nfs/dbraw/zinc/65/29/98/542652998.db2.gz JRVMTFZMSZJBFL-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN([C@@H](C)CC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613834 542653000 /nfs/dbraw/zinc/65/30/00/542653000.db2.gz JRVMTFZMSZJBFL-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN([C@@H](C)CC[N@H+]2CC[C@@H](CC)C2)C1 ZINC000431613834 542653002 /nfs/dbraw/zinc/65/30/02/542653002.db2.gz JRVMTFZMSZJBFL-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1cccs1 ZINC000245602676 131088282 /nfs/dbraw/zinc/08/82/82/131088282.db2.gz JFLFGCPVNLMBEG-KGLIPLIRSA-N 1 3 264.438 3.369 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1cccs1 ZINC000245602676 131088283 /nfs/dbraw/zinc/08/82/83/131088283.db2.gz JFLFGCPVNLMBEG-KGLIPLIRSA-N 1 3 264.438 3.369 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)[C@@H]1CCOC1 ZINC000119741905 392396001 /nfs/dbraw/zinc/39/60/01/392396001.db2.gz GHVOMKQZKOCIKI-HPFXQQBRSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000131000427 392455751 /nfs/dbraw/zinc/45/57/51/392455751.db2.gz LNRUSFFYQUMKDA-IMJJTQAJSA-N 1 3 281.403 3.107 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccncc1 ZINC000647283529 392634604 /nfs/dbraw/zinc/63/46/04/392634604.db2.gz CWVZUQLBUNSADD-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543581 392760592 /nfs/dbraw/zinc/76/05/92/392760592.db2.gz PUSYNEVHUOEVMQ-KBPBESRZSA-N 1 3 294.389 3.176 20 0 CGADHO Fc1ccc(F)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543732 392760688 /nfs/dbraw/zinc/76/06/88/392760688.db2.gz RMVHMSFJPQYQEV-ZIAGYGMSSA-N 1 3 294.389 3.176 20 0 CGADHO Fc1ccc(F)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543729 392761039 /nfs/dbraw/zinc/76/10/39/392761039.db2.gz RMVHMSFJPQYQEV-KBPBESRZSA-N 1 3 294.389 3.176 20 0 CGADHO CCc1oc2ccccc2c1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000647552813 392765642 /nfs/dbraw/zinc/76/56/42/392765642.db2.gz YXAKKMSPOWEFRV-NEPJUHHUSA-N 1 3 260.381 3.211 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)s1 ZINC000375887796 392836901 /nfs/dbraw/zinc/83/69/01/392836901.db2.gz JNEYITXWCRDUKC-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000375887796 392836908 /nfs/dbraw/zinc/83/69/08/392836908.db2.gz JNEYITXWCRDUKC-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000375887796 392836915 /nfs/dbraw/zinc/83/69/15/392836915.db2.gz JNEYITXWCRDUKC-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO c1ccc([C@@H]2CCC[N@@H+](CCCN3CCCCC3)C2)nc1 ZINC000647950164 392839243 /nfs/dbraw/zinc/83/92/43/392839243.db2.gz PNVZAKQLVUBXSH-QGZVFWFLSA-N 1 3 287.451 3.137 20 0 CGADHO c1ccc([C@@H]2CCC[N@H+](CCCN3CCCCC3)C2)nc1 ZINC000647950164 392839246 /nfs/dbraw/zinc/83/92/46/392839246.db2.gz PNVZAKQLVUBXSH-QGZVFWFLSA-N 1 3 287.451 3.137 20 0 CGADHO CC1(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000335570515 392799272 /nfs/dbraw/zinc/79/92/72/392799272.db2.gz VWCAFBRASUPIPY-GFCCVEGCSA-N 1 3 298.352 3.071 20 0 CGADHO CSc1cccc(F)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796891 392799862 /nfs/dbraw/zinc/79/98/62/392799862.db2.gz QSUXKKXSMQKVHP-JHJVBQTASA-N 1 3 294.439 3.025 20 0 CGADHO C[C@@H]1CCC[C@H](CCN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815287 392808701 /nfs/dbraw/zinc/80/87/01/392808701.db2.gz XNNRFZJHNDRZHE-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+]1CC[C@H](Nc2nccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000647873804 392818681 /nfs/dbraw/zinc/81/86/81/392818681.db2.gz IBQFAVAMQWNBOX-DLBZAZTESA-N 1 3 292.386 3.420 20 0 CGADHO C[N@H+]1CC[C@H](Nc2nccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000647873804 392818685 /nfs/dbraw/zinc/81/86/85/392818685.db2.gz IBQFAVAMQWNBOX-DLBZAZTESA-N 1 3 292.386 3.420 20 0 CGADHO Fc1cccc(CN(C[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647879560 392821431 /nfs/dbraw/zinc/82/14/31/392821431.db2.gz PBSFQRJCRJAVND-OAHLLOKOSA-N 1 3 276.399 3.180 20 0 CGADHO Cc1ccc([C@@H]2[C@@H](C)CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647886665 392826925 /nfs/dbraw/zinc/82/69/25/392826925.db2.gz GXBQLOJLVYCIJK-BQFCYCMXSA-N 1 3 272.436 3.378 20 0 CGADHO CC(C)(C)c1cccc(OCCCNCC2([NH3+])CCC2)c1 ZINC000647907565 392829399 /nfs/dbraw/zinc/82/93/99/392829399.db2.gz FABDJVPOQIYBNM-UHFFFAOYSA-N 1 3 290.451 3.224 20 0 CGADHO Fc1cccc([C@H]2CCN2CCCC2CC[NH2+]CC2)c1 ZINC000647890186 392829510 /nfs/dbraw/zinc/82/95/10/392829510.db2.gz YLPQLFWPYVZGGP-QGZVFWFLSA-N 1 3 276.399 3.352 20 0 CGADHO COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@@H]1CC[NH2+]C1 ZINC000647990197 392858270 /nfs/dbraw/zinc/85/82/70/392858270.db2.gz FAFROCONCXZGIY-UXLLHSPISA-N 1 3 288.435 3.078 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647989162 392858286 /nfs/dbraw/zinc/85/82/86/392858286.db2.gz RMZDPJIGRZSCLU-RDJZCZTQSA-N 1 3 258.409 3.050 20 0 CGADHO CC(C)(C)[C@@H](NC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000647991958 392858684 /nfs/dbraw/zinc/85/86/84/392858684.db2.gz JGJTXFAYCDRMCE-WFASDCNBSA-N 1 3 264.388 3.112 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000519674156 392880700 /nfs/dbraw/zinc/88/07/00/392880700.db2.gz WHUPDEJGMXRPBX-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000519674156 392880703 /nfs/dbraw/zinc/88/07/03/392880703.db2.gz WHUPDEJGMXRPBX-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO C[C@@H](NCCCCOCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390591140 392926279 /nfs/dbraw/zinc/92/62/79/392926279.db2.gz PJZWSFYOAZTKOA-AEFFLSMTSA-N 1 3 290.451 3.104 20 0 CGADHO CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459598852 392947476 /nfs/dbraw/zinc/94/74/76/392947476.db2.gz QPPLXYRYHCJOCC-QZTJIDSGSA-N 1 3 287.451 3.465 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C(C)(C)O ZINC000340507197 392975130 /nfs/dbraw/zinc/97/51/30/392975130.db2.gz WLULENPDKUHDND-XIRDDKMYSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)(C)O ZINC000340507197 392975134 /nfs/dbraw/zinc/97/51/34/392975134.db2.gz WLULENPDKUHDND-XIRDDKMYSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000415003350 393088112 /nfs/dbraw/zinc/08/81/12/393088112.db2.gz FVMJXYQKSGIDSS-RYUDHWBXSA-N 1 3 260.406 3.240 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2nc3ccc(F)cc3s2)C1 ZINC000415012433 393095405 /nfs/dbraw/zinc/09/54/05/393095405.db2.gz XEVKWEAUCLTFTN-CMPLNLGQSA-N 1 3 293.411 3.043 20 0 CGADHO Clc1ccc([C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990762 393098205 /nfs/dbraw/zinc/09/82/05/393098205.db2.gz SPXQCTCMXRLQAL-HIFRSBDPSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346990762 393098208 /nfs/dbraw/zinc/09/82/08/393098208.db2.gz SPXQCTCMXRLQAL-HIFRSBDPSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346990762 393098212 /nfs/dbraw/zinc/09/82/12/393098212.db2.gz SPXQCTCMXRLQAL-HIFRSBDPSA-N 1 3 278.827 3.129 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1c(F)cccc1Cl ZINC000415017528 393098715 /nfs/dbraw/zinc/09/87/15/393098715.db2.gz SFVNAVWKHQPOAO-SNVBAGLBSA-N 1 3 258.768 3.086 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2c(C)cccc2C)CC1 ZINC000546226259 393040823 /nfs/dbraw/zinc/04/08/23/393040823.db2.gz LQUYNUVBQXVWDA-HNNXBMFYSA-N 1 3 260.425 3.438 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3ccccc3)n2)C1 ZINC000415031483 393105404 /nfs/dbraw/zinc/10/54/04/393105404.db2.gz GWATZLGHUZZDLB-JSGCOSHPSA-N 1 3 287.432 3.027 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414977695 393076599 /nfs/dbraw/zinc/07/65/99/393076599.db2.gz KMMWBOCLERRRKU-AWEZNQCLSA-N 1 3 260.406 3.242 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415077126 393131352 /nfs/dbraw/zinc/13/13/52/393131352.db2.gz DVRXMDBUBOWCSN-PMPSAXMXSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)C[C@H](N)C[NH2+]CCOc1cccc2ccccc21 ZINC000415082248 393136008 /nfs/dbraw/zinc/13/60/08/393136008.db2.gz CXQSVUHCCPVNQX-INIZCTEOSA-N 1 3 286.419 3.182 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415134923 393156559 /nfs/dbraw/zinc/15/65/59/393156559.db2.gz WLAAAYPDXZIMCF-JQHSSLGASA-N 1 3 274.452 3.343 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415134923 393156563 /nfs/dbraw/zinc/15/65/63/393156563.db2.gz WLAAAYPDXZIMCF-JQHSSLGASA-N 1 3 274.452 3.343 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000469852234 393221366 /nfs/dbraw/zinc/22/13/66/393221366.db2.gz KYCCHUUWISCQCK-ALCCZGGFSA-N 1 3 288.435 3.030 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000469987681 393223131 /nfs/dbraw/zinc/22/31/31/393223131.db2.gz UGBVLVRZGIYXGX-ZWKOTPCHSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000469987681 393223138 /nfs/dbraw/zinc/22/31/38/393223138.db2.gz UGBVLVRZGIYXGX-ZWKOTPCHSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000469987681 393223145 /nfs/dbraw/zinc/22/31/45/393223145.db2.gz UGBVLVRZGIYXGX-ZWKOTPCHSA-N 1 3 274.452 3.248 20 0 CGADHO Clc1ccc(CCCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420390596 393479894 /nfs/dbraw/zinc/47/98/94/393479894.db2.gz YMEAZVZTPOYHPZ-KRWDZBQOSA-N 1 3 292.854 3.348 20 0 CGADHO Cc1cccc(C)c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420390962 393480889 /nfs/dbraw/zinc/48/08/89/393480889.db2.gz ICKBUYUMSAMDGD-AEFFLSMTSA-N 1 3 272.436 3.267 20 0 CGADHO CC[C@@]1(C)CCCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311517 393460445 /nfs/dbraw/zinc/46/04/45/393460445.db2.gz WDFXWJDZPGVJDK-AEFFLSMTSA-N 1 3 290.451 3.250 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000420359774 393475495 /nfs/dbraw/zinc/47/54/95/393475495.db2.gz KJSQFLLOSBPJTF-HNNXBMFYSA-N 1 3 280.843 3.250 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCCCc1ccc(Cl)cc1 ZINC000420359774 393475502 /nfs/dbraw/zinc/47/55/02/393475502.db2.gz KJSQFLLOSBPJTF-HNNXBMFYSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000420378473 393478112 /nfs/dbraw/zinc/47/81/12/393478112.db2.gz ULTGIFKWBBVPDN-CHWSQXEVSA-N 1 3 266.816 3.380 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375479 393478400 /nfs/dbraw/zinc/47/84/00/393478400.db2.gz PMLGXNWXXYXJDJ-QMTHXVAHSA-N 1 3 297.240 3.227 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1C ZINC000488431181 393510408 /nfs/dbraw/zinc/51/04/08/393510408.db2.gz OBWHIGRXXDDFHJ-VGWMRTNUSA-N 1 3 252.446 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430084457 393518403 /nfs/dbraw/zinc/51/84/03/393518403.db2.gz LCFGCSWXBJLKHT-LJQANCHMSA-N 1 3 286.463 3.482 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430084457 393518410 /nfs/dbraw/zinc/51/84/10/393518410.db2.gz LCFGCSWXBJLKHT-LJQANCHMSA-N 1 3 286.463 3.482 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430143666 393529102 /nfs/dbraw/zinc/52/91/02/393529102.db2.gz CTVLJINPRKRNNT-IBGZPJMESA-N 1 3 286.463 3.380 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430143666 393529107 /nfs/dbraw/zinc/52/91/07/393529107.db2.gz CTVLJINPRKRNNT-IBGZPJMESA-N 1 3 286.463 3.380 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCNCC1 ZINC000666857638 542821582 /nfs/dbraw/zinc/82/15/82/542821582.db2.gz CJLUSACQPSIMMT-SJORKVTESA-N 1 3 260.425 3.048 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360838256 393596126 /nfs/dbraw/zinc/59/61/26/393596126.db2.gz TYZXJGCKQYTBTO-CRAIPNDOSA-N 1 3 287.451 3.244 20 0 CGADHO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000432424547 393612723 /nfs/dbraw/zinc/61/27/23/393612723.db2.gz JMXUGRVPROCOMY-JCCCHCCOSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000432424547 393612728 /nfs/dbraw/zinc/61/27/28/393612728.db2.gz JMXUGRVPROCOMY-JCCCHCCOSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432424547 393612737 /nfs/dbraw/zinc/61/27/37/393612737.db2.gz JMXUGRVPROCOMY-JCCCHCCOSA-N 1 3 294.483 3.187 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000360910178 393613499 /nfs/dbraw/zinc/61/34/99/393613499.db2.gz RQDRZRCRXJDVNC-SJLPKXTDSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490040638 393627932 /nfs/dbraw/zinc/62/79/32/393627932.db2.gz QOJDMYPCQTURCF-IEBWSBKVSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCCF)CC2)C1 ZINC000360996818 393633540 /nfs/dbraw/zinc/63/35/40/393633540.db2.gz BEKUUDVJDBOQBQ-ZBFHGGJFSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422805999 393644092 /nfs/dbraw/zinc/64/40/92/393644092.db2.gz HOKKURCIAUPCKS-DOTOQJQBSA-N 1 3 272.436 3.086 20 0 CGADHO CC(C)[C@@H]1C[C@@H](CN[C@H]2CCC[C@H]2[NH3+])c2ccccc21 ZINC000423085785 393650389 /nfs/dbraw/zinc/65/03/89/393650389.db2.gz LJJVRSNECPBDFV-RUGDWHBFSA-N 1 3 272.436 3.383 20 0 CGADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C1CCCC1 ZINC000423154804 393653578 /nfs/dbraw/zinc/65/35/78/393653578.db2.gz JVMLAAUEOAXTHJ-SUMWQHHRSA-N 1 3 275.440 3.468 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCCCC1)CC2 ZINC000423175301 393653911 /nfs/dbraw/zinc/65/39/11/393653911.db2.gz DNOAUFGVHYLCLI-MRXNPFEDSA-N 1 3 258.409 3.234 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267992 393657064 /nfs/dbraw/zinc/65/70/64/393657064.db2.gz DDELSJDCAIGOHE-DOTOQJQBSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cc2c(s1)CCC2 ZINC000423285835 393659622 /nfs/dbraw/zinc/65/96/22/393659622.db2.gz YUVFVWOYNOUKAT-YUTCNCBUSA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1cc2c(s1)CCC2 ZINC000423285835 393659625 /nfs/dbraw/zinc/65/96/25/393659625.db2.gz YUVFVWOYNOUKAT-YUTCNCBUSA-N 1 3 278.465 3.405 20 0 CGADHO CCN[C@H](C)C[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000423367760 393663703 /nfs/dbraw/zinc/66/37/03/393663703.db2.gz AOXSTDMZKHYVIG-PBHICJAKSA-N 1 3 260.425 3.424 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423452417 393667520 /nfs/dbraw/zinc/66/75/20/393667520.db2.gz WGOYLGSEUJSCEX-BHDSKKPTSA-N 1 3 297.240 3.152 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349250 393754171 /nfs/dbraw/zinc/75/41/71/393754171.db2.gz UEDDQXLXWJLMFP-MRXNPFEDSA-N 1 3 294.483 3.284 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349250 393754172 /nfs/dbraw/zinc/75/41/72/393754172.db2.gz UEDDQXLXWJLMFP-MRXNPFEDSA-N 1 3 294.483 3.284 20 0 CGADHO FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000495015298 393777275 /nfs/dbraw/zinc/77/72/75/393777275.db2.gz FYFAPZJBPQKHNS-ZNMIVQPWSA-N 1 3 286.410 3.418 20 0 CGADHO CN(CCCCc1ccccc1)CCC[NH+]1CCCC1 ZINC000499960015 393811909 /nfs/dbraw/zinc/81/19/09/393811909.db2.gz ZNAQOIFHFAIDKW-UHFFFAOYSA-N 1 3 274.452 3.427 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@@H](C)C1 ZINC000666995103 542832242 /nfs/dbraw/zinc/83/22/42/542832242.db2.gz DIKVCNUJNAELRY-QPSCCSFWSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995527 542833534 /nfs/dbraw/zinc/83/35/34/542833534.db2.gz QFLQEINDUWKHJE-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995657 542833719 /nfs/dbraw/zinc/83/37/19/542833719.db2.gz VLKCBYUQLZMRIT-YOEHRIQHSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995657 542833724 /nfs/dbraw/zinc/83/37/24/542833724.db2.gz VLKCBYUQLZMRIT-YOEHRIQHSA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995483 542833812 /nfs/dbraw/zinc/83/38/12/542833812.db2.gz OYIOCRZFPKSXJB-RRFJBIMHSA-N 1 3 252.446 3.466 20 0 CGADHO CCC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)COC1 ZINC000449599753 393918080 /nfs/dbraw/zinc/91/80/80/393918080.db2.gz LQVDXSGBNVQSDX-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3COCC3(C)C)CC2)C1 ZINC000449623179 393924812 /nfs/dbraw/zinc/92/48/12/393924812.db2.gz HSIBGOAPRPRLJM-HYVNUMGLSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H]([C@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000449629616 393927776 /nfs/dbraw/zinc/92/77/76/393927776.db2.gz LBEHPOHIFIUAFN-KBXCAEBGSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@H]([C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000449629616 393927780 /nfs/dbraw/zinc/92/77/80/393927780.db2.gz LBEHPOHIFIUAFN-KBXCAEBGSA-N 1 3 294.483 3.187 20 0 CGADHO CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000668172773 542980534 /nfs/dbraw/zinc/98/05/34/542980534.db2.gz SWZRRPGXOLQPCV-QAPCUYQASA-N 1 3 290.451 3.166 20 0 CGADHO CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000668172773 542980536 /nfs/dbraw/zinc/98/05/36/542980536.db2.gz SWZRRPGXOLQPCV-QAPCUYQASA-N 1 3 290.451 3.166 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668785 543041123 /nfs/dbraw/zinc/04/11/23/543041123.db2.gz CRVHXADAIRCKPF-LHKMKVQPSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668785 543041126 /nfs/dbraw/zinc/04/11/26/543041126.db2.gz CRVHXADAIRCKPF-LHKMKVQPSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000670267249 543149114 /nfs/dbraw/zinc/14/91/14/543149114.db2.gz WXWIRQQJWBJCFS-HUUCEWRRSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)=CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176798 289100811 /nfs/dbraw/zinc/10/08/11/289100811.db2.gz FVDMZILAUQAXBK-DLBZAZTESA-N 1 3 258.409 3.378 20 0 CGADHO Cc1ccc(CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405055 292094961 /nfs/dbraw/zinc/09/49/61/292094961.db2.gz SOKRFWOBCPXKIB-ZWKOTPCHSA-N 1 3 272.436 3.002 20 0 CGADHO C[C@H](CC1CC1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000164294098 397658987 /nfs/dbraw/zinc/65/89/87/397658987.db2.gz NULRTWXXYHAMLA-CABCVRRESA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)C[C@H](C)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302441643 397676428 /nfs/dbraw/zinc/67/64/28/397676428.db2.gz WLGBJGTVHLHRLU-JYJNAYRXSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1CCN ZINC000650711966 397899080 /nfs/dbraw/zinc/89/90/80/397899080.db2.gz LDALYAPEMOAZMM-DKIMLUQUSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1CCN ZINC000650711966 397899083 /nfs/dbraw/zinc/89/90/83/397899083.db2.gz LDALYAPEMOAZMM-DKIMLUQUSA-N 1 3 272.436 3.239 20 0 CGADHO [NH3+]CC1(CCNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000650714019 397900099 /nfs/dbraw/zinc/90/00/99/397900099.db2.gz NAOBQKCNTCKPSF-UHFFFAOYSA-N 1 3 291.197 3.351 20 0 CGADHO C[C@H](CCc1ccsc1)NCc1ccc(C[NH3+])cc1F ZINC000650717801 397900937 /nfs/dbraw/zinc/90/09/37/397900937.db2.gz MVZDUJGGNMTNSY-GFCCVEGCSA-N 1 3 292.423 3.457 20 0 CGADHO CCc1ccc(CNCc2ccccc2C[NH2+]C)s1 ZINC000650719329 397901561 /nfs/dbraw/zinc/90/15/61/397901561.db2.gz LUDZIKUEWHNBEN-UHFFFAOYSA-N 1 3 274.433 3.320 20 0 CGADHO COC[C@H](CCC[NH3+])NC1(c2ccccc2Cl)CCC1 ZINC000650740579 397904342 /nfs/dbraw/zinc/90/43/42/397904342.db2.gz MYXIIZQYXZFEDL-ZDUSSCGKSA-N 1 3 296.842 3.063 20 0 CGADHO [NH3+]CC1(CCN[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000650747416 397906605 /nfs/dbraw/zinc/90/66/05/397906605.db2.gz ZXLZAXWOEJJOPQ-KRWDZBQOSA-N 1 3 299.393 3.029 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C2CC2)cc1 ZINC000675752564 543360428 /nfs/dbraw/zinc/36/04/28/543360428.db2.gz ZYNUPYYLVXSLRX-FHWLQOOXSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000675752564 543360431 /nfs/dbraw/zinc/36/04/31/543360431.db2.gz ZYNUPYYLVXSLRX-FHWLQOOXSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000675752564 543360435 /nfs/dbraw/zinc/36/04/35/543360435.db2.gz ZYNUPYYLVXSLRX-FHWLQOOXSA-N 1 3 284.447 3.224 20 0 CGADHO CCOC1CC([NH2+][C@H]2CCCC[C@H]2CN(CC)CC)C1 ZINC000344113619 286013938 /nfs/dbraw/zinc/01/39/38/286013938.db2.gz WABGYKKEXLGEEI-OTBWCIGPSA-N 1 3 282.472 3.044 20 0 CGADHO CCOC1CC(N[C@H]2CCCC[C@H]2C[NH+](CC)CC)C1 ZINC000344113619 286013940 /nfs/dbraw/zinc/01/39/40/286013940.db2.gz WABGYKKEXLGEEI-OTBWCIGPSA-N 1 3 282.472 3.044 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338421 543515626 /nfs/dbraw/zinc/51/56/26/543515626.db2.gz CNDNEMWNCRXXOR-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC000678338421 543515629 /nfs/dbraw/zinc/51/56/29/543515629.db2.gz CNDNEMWNCRXXOR-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO CCOCCC1(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423002958 286049702 /nfs/dbraw/zinc/04/97/02/286049702.db2.gz KIHXPMUYUCRKSX-HZPDHXFCSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH+]2CCN(c3ccncc3)CC2)C1 ZINC000678461921 543528329 /nfs/dbraw/zinc/52/83/29/543528329.db2.gz AKTUWZSBQACFRG-HZPDHXFCSA-N 1 3 273.424 3.030 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000678590830 543539514 /nfs/dbraw/zinc/53/95/14/543539514.db2.gz KMXWTYZGJTVTPP-ZYSHUDEJSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000678590830 543539517 /nfs/dbraw/zinc/53/95/17/543539517.db2.gz KMXWTYZGJTVTPP-ZYSHUDEJSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CCN3CCC[C@@H]3C1)C2 ZINC000678590830 543539518 /nfs/dbraw/zinc/53/95/18/543539518.db2.gz KMXWTYZGJTVTPP-ZYSHUDEJSA-N 1 3 284.447 3.008 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453148383 289309741 /nfs/dbraw/zinc/30/97/41/289309741.db2.gz YRXQSSAAIRMQGG-BBWFWOEESA-N 1 3 264.457 3.418 20 0 CGADHO COCC1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000449218316 292263171 /nfs/dbraw/zinc/26/31/71/292263171.db2.gz HFGITETWRMOAFM-UHFFFAOYSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423127835 287037813 /nfs/dbraw/zinc/03/78/13/287037813.db2.gz PPDSRVQYKSYSSF-SYQHCUMBSA-N 1 3 292.389 3.475 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081624032 287075414 /nfs/dbraw/zinc/07/54/14/287075414.db2.gz YRAIEOXGLHOECT-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422872123 287086038 /nfs/dbraw/zinc/08/60/38/287086038.db2.gz FTUYLNDJEXVVMX-XJKCOSOUSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@@H](CC[N@@H+]1CCCC[C@@H]1CCN)c1ccccc1 ZINC000070148661 165060146 /nfs/dbraw/zinc/06/01/46/165060146.db2.gz RXRLIYTVQZFIMY-DOTOQJQBSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@@H](CC[N@H+]1CCCC[C@@H]1CCN)c1ccccc1 ZINC000070148661 165060148 /nfs/dbraw/zinc/06/01/48/165060148.db2.gz RXRLIYTVQZFIMY-DOTOQJQBSA-N 1 3 260.425 3.384 20 0 CGADHO CCCCCCN1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000077312552 165118352 /nfs/dbraw/zinc/11/83/52/165118352.db2.gz ZCQRROHKBBSVSO-UHFFFAOYSA-N 1 3 295.515 3.059 20 0 CGADHO C[C@H]1C[C@H](NCc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256630 165182771 /nfs/dbraw/zinc/18/27/71/165182771.db2.gz RHGHJDFJOXNQNZ-MAUKXSAKSA-N 1 3 283.419 3.157 20 0 CGADHO C[C@H]1C[C@H](NCc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256630 165182773 /nfs/dbraw/zinc/18/27/73/165182773.db2.gz RHGHJDFJOXNQNZ-MAUKXSAKSA-N 1 3 283.419 3.157 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000089139236 165197978 /nfs/dbraw/zinc/19/79/78/165197978.db2.gz JTZGJSVFPINLQT-GXTWGEPZSA-N 1 3 286.341 3.313 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000089150375 165199456 /nfs/dbraw/zinc/19/94/56/165199456.db2.gz BLYXLRZGMXMISA-ZKYQVNSYSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000089141640 165200933 /nfs/dbraw/zinc/20/09/33/165200933.db2.gz BTEGCKPOUXRJKS-NVBFEUDRSA-N 1 3 268.351 3.133 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000090586676 287102982 /nfs/dbraw/zinc/10/29/82/287102982.db2.gz KLRXKSMQJVNCJN-CQSZACIVSA-N 1 3 264.457 3.133 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNCc1ccn(C)c1 ZINC000091007237 165248906 /nfs/dbraw/zinc/24/89/06/165248906.db2.gz UGEGNXKMBJXWBK-UHFFFAOYSA-N 1 3 285.435 3.157 20 0 CGADHO Cc1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000094182970 165345729 /nfs/dbraw/zinc/34/57/29/165345729.db2.gz BDXWKICOXHBVHF-KURKYZTESA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000094522164 165353184 /nfs/dbraw/zinc/35/31/84/165353184.db2.gz OMJYIKSLDIKNNW-DYVFJYSZSA-N 1 3 258.409 3.123 20 0 CGADHO COc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000092383866 287111502 /nfs/dbraw/zinc/11/15/02/287111502.db2.gz DVCMYRLVFBPCEZ-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000092383866 287111504 /nfs/dbraw/zinc/11/15/04/287111504.db2.gz DVCMYRLVFBPCEZ-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123262314 287217714 /nfs/dbraw/zinc/21/77/14/287217714.db2.gz XAYXNDLWNASXHH-ZFWWWQNUSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123262314 287217717 /nfs/dbraw/zinc/21/77/17/287217717.db2.gz XAYXNDLWNASXHH-ZFWWWQNUSA-N 1 3 280.843 3.297 20 0 CGADHO Clc1cccc(C[NH2+]CCCN2CCCCC2)c1 ZINC000021516325 171312983 /nfs/dbraw/zinc/31/29/83/171312983.db2.gz QXAZYAJFVLDLDR-UHFFFAOYSA-N 1 3 266.816 3.306 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000314510110 287268442 /nfs/dbraw/zinc/26/84/42/287268442.db2.gz FHHXPSRRRTZKPI-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2cc(C)ccn2)CC1 ZINC000286356234 196578121 /nfs/dbraw/zinc/57/81/21/196578121.db2.gz ZAPRKQQWYLJZRQ-HNNXBMFYSA-N 1 3 275.440 3.163 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@@H](C)[C@H]3CC[NH3+])ccc2n1 ZINC000404329490 416551925 /nfs/dbraw/zinc/55/19/25/416551925.db2.gz YBTOOVFMZXTBDF-AUUYWEPGSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCC[C@@H](C)[C@H]3CCN)ccc2n1 ZINC000404329490 416551931 /nfs/dbraw/zinc/55/19/31/416551931.db2.gz YBTOOVFMZXTBDF-AUUYWEPGSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCN)ccc2n1 ZINC000404329490 416551933 /nfs/dbraw/zinc/55/19/33/416551933.db2.gz YBTOOVFMZXTBDF-AUUYWEPGSA-N 1 3 297.446 3.493 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)CN1CCCCC1 ZINC000129491732 287333358 /nfs/dbraw/zinc/33/33/58/287333358.db2.gz FRYRXRZDMQEAAP-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc(C2CCC(CN3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000682027910 543816727 /nfs/dbraw/zinc/81/67/27/543816727.db2.gz MWXCPODYWKJXCS-JDGDGYACSA-N 1 3 284.447 3.112 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000683816150 543943612 /nfs/dbraw/zinc/94/36/12/543943612.db2.gz LMNZSMIEDKPYII-JFIYKMOQSA-N 1 3 290.451 3.084 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000683816150 543943614 /nfs/dbraw/zinc/94/36/14/543943614.db2.gz LMNZSMIEDKPYII-JFIYKMOQSA-N 1 3 290.451 3.084 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccccc2F)C1 ZINC000685455188 544073595 /nfs/dbraw/zinc/07/35/95/544073595.db2.gz CQRVSIDFWPSTBX-JKSUJKDBSA-N 1 3 292.442 3.467 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659949480 419043680 /nfs/dbraw/zinc/04/36/80/419043680.db2.gz XLYFIYRMIXWTND-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000659949480 419043684 /nfs/dbraw/zinc/04/36/84/419043684.db2.gz XLYFIYRMIXWTND-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000659949480 419043687 /nfs/dbraw/zinc/04/36/87/419043687.db2.gz XLYFIYRMIXWTND-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665234756 419086861 /nfs/dbraw/zinc/08/68/61/419086861.db2.gz JWJKPLOREKXJHG-VPSFDDGASA-N 1 3 276.399 3.019 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccnc2ccccc12 ZINC000665238700 419088390 /nfs/dbraw/zinc/08/83/90/419088390.db2.gz ARVGEHFHXACMEC-AEFFLSMTSA-N 1 3 283.419 3.027 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1cccc(F)c1 ZINC000665246611 419090216 /nfs/dbraw/zinc/09/02/16/419090216.db2.gz JOWITASVKGXKDG-CQSZACIVSA-N 1 3 250.361 3.138 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCCC1)c1cccc(C2CC2)c1 ZINC000665247302 419090762 /nfs/dbraw/zinc/09/07/62/419090762.db2.gz ZVROEANZRLYIQA-ZDUSSCGKSA-N 1 3 258.409 3.486 20 0 CGADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000665261427 419095419 /nfs/dbraw/zinc/09/54/19/419095419.db2.gz CDZUAZARYZUUKV-MGPQQGTHSA-N 1 3 256.409 3.025 20 0 CGADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000665261425 419095905 /nfs/dbraw/zinc/09/59/05/419095905.db2.gz CDZUAZARYZUUKV-HZSPNIEDSA-N 1 3 256.409 3.025 20 0 CGADHO Clc1ccc([C@@H]2CC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000665279558 419102090 /nfs/dbraw/zinc/10/20/90/419102090.db2.gz GCPDKMMEIXCAOC-FXMPHUBISA-N 1 3 290.838 3.318 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000665283370 419103334 /nfs/dbraw/zinc/10/33/34/419103334.db2.gz MRPVTQBJFGMZFV-CZUORRHYSA-N 1 3 264.413 3.028 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)CC(F)(F)F ZINC000665301409 419111740 /nfs/dbraw/zinc/11/17/40/419111740.db2.gz XDPSKJMUXMWVJP-MNOVXSKESA-N 1 3 266.351 3.072 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CC[C@@H](C)SC1)C(C)C ZINC000655717912 419075390 /nfs/dbraw/zinc/07/53/90/419075390.db2.gz GAKOHKQHQNCLRM-CABCVRRESA-N 1 3 272.502 3.369 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000655718286 419075600 /nfs/dbraw/zinc/07/56/00/419075600.db2.gz IEIBEDAEOUARIR-ZFWWWQNUSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)CS1 ZINC000655718286 419075601 /nfs/dbraw/zinc/07/56/01/419075601.db2.gz IEIBEDAEOUARIR-ZFWWWQNUSA-N 1 3 282.497 3.267 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000656197305 419149105 /nfs/dbraw/zinc/14/91/05/419149105.db2.gz YXNWKAAULAGMJX-QNWHQSFQSA-N 1 3 278.362 3.215 20 0 CGADHO Cc1ccc(C2(N[C@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000656200233 419149357 /nfs/dbraw/zinc/14/93/57/419149357.db2.gz JCNLETGRIVGWQR-HOTGVXAUSA-N 1 3 258.409 3.234 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666116819 419190413 /nfs/dbraw/zinc/19/04/13/419190413.db2.gz CUWKFAOIIOAMSR-OAHLLOKOSA-N 1 3 290.838 3.049 20 0 CGADHO CC[C@@H]1C[C@H](NCc2cccc(C[N@H+](C)C(C)C)c2)CO1 ZINC000657332094 419252901 /nfs/dbraw/zinc/25/29/01/419252901.db2.gz BBUBLZOESYTABM-ZWKOTPCHSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@@H]1C[C@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)CO1 ZINC000657332094 419252902 /nfs/dbraw/zinc/25/29/02/419252902.db2.gz BBUBLZOESYTABM-ZWKOTPCHSA-N 1 3 290.451 3.184 20 0 CGADHO CCOc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)c(C)c1 ZINC000657337422 419255073 /nfs/dbraw/zinc/25/50/73/419255073.db2.gz UXBGTZUNGQSSPH-MRXNPFEDSA-N 1 3 290.451 3.215 20 0 CGADHO CC[C@@H]1C[C@H](NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CO1 ZINC000657384536 419266410 /nfs/dbraw/zinc/26/64/10/419266410.db2.gz UFWSQSXUCIGABL-BPQIPLTHSA-N 1 3 290.451 3.054 20 0 CGADHO CC[C@@H]1C[C@H](NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384536 419266411 /nfs/dbraw/zinc/26/64/11/419266411.db2.gz UFWSQSXUCIGABL-BPQIPLTHSA-N 1 3 290.451 3.054 20 0 CGADHO NC1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCCC1 ZINC000656788148 419218978 /nfs/dbraw/zinc/21/89/78/419218978.db2.gz DZFDAWSCGCHWBC-UHFFFAOYSA-N 1 3 281.403 3.110 20 0 CGADHO Cc1ccc(F)cc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786805 419219794 /nfs/dbraw/zinc/21/97/94/419219794.db2.gz QVSUEBWMTQDFGS-MRXNPFEDSA-N 1 3 290.426 3.346 20 0 CGADHO Fc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000656786972 419219889 /nfs/dbraw/zinc/21/98/89/419219889.db2.gz YQCDJPGWNGSLOE-CQSZACIVSA-N 1 3 294.389 3.176 20 0 CGADHO CSc1ccccc1C[C@H](C)NCC1([NH3+])CCCC1 ZINC000656789326 419220621 /nfs/dbraw/zinc/22/06/21/419220621.db2.gz MVQWVIZBPIICDS-ZDUSSCGKSA-N 1 3 278.465 3.201 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)[C@H](C)C2 ZINC000657698763 419329109 /nfs/dbraw/zinc/32/91/09/419329109.db2.gz YLSCNKICACSFBR-WMEZAQDKSA-N 1 3 284.447 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)[C@H](C)C2 ZINC000657698763 419329112 /nfs/dbraw/zinc/32/91/12/419329112.db2.gz YLSCNKICACSFBR-WMEZAQDKSA-N 1 3 284.447 3.445 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc3cnccc3o2)C1 ZINC000657864407 419394948 /nfs/dbraw/zinc/39/49/48/419394948.db2.gz ZZZPOKYEOLKYCD-KBPBESRZSA-N 1 3 287.407 3.210 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000662236543 419369618 /nfs/dbraw/zinc/36/96/18/419369618.db2.gz FDKJKDXHEVGDDW-WBVHZDCISA-N 1 3 272.436 3.038 20 0 CGADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657838910 419380523 /nfs/dbraw/zinc/38/05/23/419380523.db2.gz HNDFFNGYFZXNCB-KBPBESRZSA-N 1 3 288.426 3.032 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCSc1cccc(Cl)c1 ZINC000662276214 419381704 /nfs/dbraw/zinc/38/17/04/419381704.db2.gz HBCUWRMXXGLEQV-CQSZACIVSA-N 1 3 298.883 3.410 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840826 419382651 /nfs/dbraw/zinc/38/26/51/419382651.db2.gz KUPSSDLYYIIZHH-RYUDHWBXSA-N 1 3 283.366 3.012 20 0 CGADHO CCOC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000657900232 419423778 /nfs/dbraw/zinc/42/37/78/419423778.db2.gz GRUYPCWHTUOKNC-UHFFFAOYSA-N 1 3 294.483 3.331 20 0 CGADHO C1=CC[C@@H](C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663346613 419566078 /nfs/dbraw/zinc/56/60/78/419566078.db2.gz AUNYIEJYGDRDTO-NVXWUHKLSA-N 1 3 262.441 3.054 20 0 CGADHO CC(C)C[C@H](C[NH2+]CC12CC(C1)CN2)c1ccccc1 ZINC000663499628 419636272 /nfs/dbraw/zinc/63/62/72/419636272.db2.gz FDHRVIWHJSTZQS-IIIMJFFVSA-N 1 3 272.436 3.158 20 0 CGADHO c1cc2c(cc[nH+]c2NCCN2CCc3ccccc3C2)[nH]1 ZINC000663382302 419581928 /nfs/dbraw/zinc/58/19/28/419581928.db2.gz HHODONMOFWSYFR-UHFFFAOYSA-N 1 3 292.386 3.033 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467588 419618962 /nfs/dbraw/zinc/61/89/62/419618962.db2.gz GURDRTIXGFJTOB-QFBILLFUSA-N 1 3 284.447 3.386 20 0 CGADHO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC000289562756 263110808 /nfs/dbraw/zinc/11/08/08/263110808.db2.gz JBIBACQWKNXVOG-XYPWUTKMSA-N 1 3 276.399 3.191 20 0 CGADHO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC000289562756 263110809 /nfs/dbraw/zinc/11/08/09/263110809.db2.gz JBIBACQWKNXVOG-XYPWUTKMSA-N 1 3 276.399 3.191 20 0 CGADHO Cc1ccc(C2CC([NH2+]CCCN3CCCC3)C2)cc1 ZINC000036843493 270028499 /nfs/dbraw/zinc/02/84/99/270028499.db2.gz FABDQAAKEOTQOX-UHFFFAOYSA-N 1 3 272.436 3.317 20 0 CGADHO Cc1ccc(C2CC(NCCC[NH+]3CCCC3)C2)cc1 ZINC000036843493 270028501 /nfs/dbraw/zinc/02/85/01/270028501.db2.gz FABDQAAKEOTQOX-UHFFFAOYSA-N 1 3 272.436 3.317 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000037236843 270029184 /nfs/dbraw/zinc/02/91/84/270029184.db2.gz DKLZNRQAXSYZPE-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535101 270036647 /nfs/dbraw/zinc/03/66/47/270036647.db2.gz BBADGCCTJQPTSQ-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535101 270036649 /nfs/dbraw/zinc/03/66/49/270036649.db2.gz BBADGCCTJQPTSQ-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[C@H]1CCCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744954 270077822 /nfs/dbraw/zinc/07/78/22/270077822.db2.gz WNSWGXNGTCKODV-SFHVURJKSA-N 1 3 295.515 3.057 20 0 CGADHO CC[C@H]1CCCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192744954 270077823 /nfs/dbraw/zinc/07/78/23/270077823.db2.gz WNSWGXNGTCKODV-SFHVURJKSA-N 1 3 295.515 3.057 20 0 CGADHO c1cc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)ccn1 ZINC000522007164 270103689 /nfs/dbraw/zinc/10/36/89/270103689.db2.gz BUYNOBJTLXYFKE-LJQANCHMSA-N 1 3 293.414 3.064 20 0 CGADHO FC1(CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000525978209 270121531 /nfs/dbraw/zinc/12/15/31/270121531.db2.gz MQJSWRBDMNQTEZ-UHFFFAOYSA-N 1 3 268.420 3.077 20 0 CGADHO c1cc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2[nH]1 ZINC000527640516 270130387 /nfs/dbraw/zinc/13/03/87/270130387.db2.gz FQYAEXZVMFRGLH-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000530216668 270195661 /nfs/dbraw/zinc/19/56/61/270195661.db2.gz BPQOTUAUBKCQPF-NWDGAFQWSA-N 1 3 262.388 3.036 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530215737 270195941 /nfs/dbraw/zinc/19/59/41/270195941.db2.gz IIGUMRJTPRYIHZ-ROUUACIJSA-N 1 3 284.447 3.190 20 0 CGADHO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217681 270196228 /nfs/dbraw/zinc/19/62/28/270196228.db2.gz VPUOHJVGVIVMAF-APIJFGDWSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217681 270196229 /nfs/dbraw/zinc/19/62/29/270196229.db2.gz VPUOHJVGVIVMAF-APIJFGDWSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1CC=CCC1 ZINC000530224712 270196624 /nfs/dbraw/zinc/19/66/24/270196624.db2.gz WWFASMZLSJGLNI-HIFRSBDPSA-N 1 3 273.424 3.246 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530222161 270196724 /nfs/dbraw/zinc/19/67/24/270196724.db2.gz QJZSKCWFQNJRDT-JKIFEVAISA-N 1 3 288.435 3.061 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@H]1CCNC12CCC2)c1ccccc1 ZINC000530245393 270197335 /nfs/dbraw/zinc/19/73/35/270197335.db2.gz XGSRCQHWHOPBJC-SJORKVTESA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000531694025 270209013 /nfs/dbraw/zinc/20/90/13/270209013.db2.gz UARJWLCCZPMXNC-YJBOKZPZSA-N 1 3 290.451 3.041 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000531694025 270209014 /nfs/dbraw/zinc/20/90/14/270209014.db2.gz UARJWLCCZPMXNC-YJBOKZPZSA-N 1 3 290.451 3.041 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000531955318 270211224 /nfs/dbraw/zinc/21/12/24/270211224.db2.gz ZZANTOXZEJWKAJ-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423255979 273966852 /nfs/dbraw/zinc/96/68/52/273966852.db2.gz BDQCJSOTVLNALO-IMJJTQAJSA-N 1 3 260.425 3.014 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(CCC(C)C)C2CC2)cc1 ZINC000420299491 274116638 /nfs/dbraw/zinc/11/66/38/274116638.db2.gz GQSOIGDNXHJNQE-INIZCTEOSA-N 1 3 290.451 3.248 20 0 CGADHO C[C@@H]1CC(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000423117950 274283273 /nfs/dbraw/zinc/28/32/73/274283273.db2.gz XXAZDXLPWQQVBF-COCCGSRQSA-N 1 3 288.435 3.315 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccccc1Cl)CC[NH2+]CC2 ZINC000424301127 274284315 /nfs/dbraw/zinc/28/43/15/274284315.db2.gz XCNHKENHFNUHGE-CYBMUJFWSA-N 1 3 278.827 3.304 20 0 CGADHO C[C@@H]1CN(C2c3ccccc3-c3ccccc32)CC[C@@H]1[NH3+] ZINC000094339143 274345205 /nfs/dbraw/zinc/34/52/05/274345205.db2.gz LZTHQTLYIIAOML-ACJLOTCBSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC(F)(F)C1 ZINC000277160641 274354441 /nfs/dbraw/zinc/35/44/41/274354441.db2.gz QYFYZPRHQMBUGV-CJNGLKHVSA-N 1 3 294.389 3.284 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC(F)(F)C1 ZINC000277160641 274354444 /nfs/dbraw/zinc/35/44/44/274354444.db2.gz QYFYZPRHQMBUGV-CJNGLKHVSA-N 1 3 294.389 3.284 20 0 CGADHO C[C@H](N[C@H]1CCCc2cc(F)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423025076 274526654 /nfs/dbraw/zinc/52/66/54/274526654.db2.gz NKHVGPWISDOSEY-QEORTHHSSA-N 1 3 276.399 3.181 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C(F)(F)F)C1 ZINC000093215968 274957793 /nfs/dbraw/zinc/95/77/93/274957793.db2.gz XKIPEHQDGBVGBA-NEPJUHHUSA-N 1 3 272.314 3.065 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H](N[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000415080242 275067278 /nfs/dbraw/zinc/06/72/78/275067278.db2.gz YPBHJTLXDFEAKK-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO C(CN1CCC([C@H]2CCC[NH2+]2)CC1)OC1CCCCCC1 ZINC000420338103 275390884 /nfs/dbraw/zinc/39/08/84/275390884.db2.gz OPNMKANYGMHNLU-GOSISDBHSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000422718169 275678884 /nfs/dbraw/zinc/67/88/84/275678884.db2.gz PFWCQJLIFDCXBC-WCVJEAGWSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192414 276015183 /nfs/dbraw/zinc/01/51/83/276015183.db2.gz CPORKUXKBBVSLK-SOUVJXGZSA-N 1 3 252.446 3.274 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425929294 276042254 /nfs/dbraw/zinc/04/22/54/276042254.db2.gz XEVNPKGRESMHIA-NVXWUHKLSA-N 1 3 262.441 3.185 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000449090022 276263860 /nfs/dbraw/zinc/26/38/60/276263860.db2.gz FYWJHRXIXZQIRS-KLHDSHLOSA-N 1 3 252.446 3.133 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733875 276263879 /nfs/dbraw/zinc/26/38/79/276263879.db2.gz NWVYTZHGXTURSU-JFIYKMOQSA-N 1 3 290.451 3.084 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733875 276263881 /nfs/dbraw/zinc/26/38/81/276263881.db2.gz NWVYTZHGXTURSU-JFIYKMOQSA-N 1 3 290.451 3.084 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733875 276263883 /nfs/dbraw/zinc/26/38/83/276263883.db2.gz NWVYTZHGXTURSU-JFIYKMOQSA-N 1 3 290.451 3.084 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000414812612 276569248 /nfs/dbraw/zinc/56/92/48/276569248.db2.gz XNTBUKCWFBQIES-OIISXLGYSA-N 1 3 260.425 3.287 20 0 CGADHO CNC[C@@H]1CC[N@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469992670 277029245 /nfs/dbraw/zinc/02/92/45/277029245.db2.gz MSJURQUUUOMIDF-ZBFHGGJFSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CC[N@@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469992670 277029246 /nfs/dbraw/zinc/02/92/46/277029246.db2.gz MSJURQUUUOMIDF-ZBFHGGJFSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C[C@@H]1CCN(C[C@H](C)CC2CCCCC2)C1 ZINC000469992670 277029249 /nfs/dbraw/zinc/02/92/49/277029249.db2.gz MSJURQUUUOMIDF-ZBFHGGJFSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000423370854 277451776 /nfs/dbraw/zinc/45/17/76/277451776.db2.gz DXOFVCAUNRPTCZ-FXUDXRNXSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](C[NH2+]C1CCC2(CC2)CC1)CN1CCCC1 ZINC000362928591 278207623 /nfs/dbraw/zinc/20/76/23/278207623.db2.gz UROQNDOYWTUGIF-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423164807 278226515 /nfs/dbraw/zinc/22/65/15/278226515.db2.gz AIHDUAQVKJDAOF-WMHQRMGPSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)CSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000397459638 288023756 /nfs/dbraw/zinc/02/37/56/288023756.db2.gz QDDUVINPGRKGJV-OWCLPIDISA-N 1 3 284.513 3.276 20 0 CGADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)CN1CCCCC1 ZINC000397685933 288027422 /nfs/dbraw/zinc/02/74/22/288027422.db2.gz KANHGICEGHCCHZ-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@@H]1CC1(C)C ZINC000397789782 288030788 /nfs/dbraw/zinc/03/07/88/288030788.db2.gz ZDFRYRYNZRBERP-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000368653566 278341480 /nfs/dbraw/zinc/34/14/80/278341480.db2.gz SYZXZCYABGTORC-AEFFLSMTSA-N 1 3 294.483 3.044 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337379234 278540240 /nfs/dbraw/zinc/54/02/40/278540240.db2.gz CLQLXBFYZZNTLD-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)C1=CCCCC1 ZINC000423049102 278621707 /nfs/dbraw/zinc/62/17/07/278621707.db2.gz IYUOHRVLCDSZCQ-DZGCQCFKSA-N 1 3 250.430 3.230 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425929295 278865280 /nfs/dbraw/zinc/86/52/80/278865280.db2.gz XEVNPKGRESMHIA-RDJZCZTQSA-N 1 3 262.441 3.185 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2ccccc21 ZINC000249312057 288104873 /nfs/dbraw/zinc/10/48/73/288104873.db2.gz MDDHMGGSIYYYCE-KNCCTNLNSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2ccccc21 ZINC000249312057 288104875 /nfs/dbraw/zinc/10/48/75/288104875.db2.gz MDDHMGGSIYYYCE-KNCCTNLNSA-N 1 3 272.436 3.382 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2F)C1 ZINC000459745913 288101166 /nfs/dbraw/zinc/10/11/66/288101166.db2.gz YVAMAGPKCXAJKL-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cc(Cl)ccc2F)C1 ZINC000459745913 288101169 /nfs/dbraw/zinc/10/11/69/288101169.db2.gz YVAMAGPKCXAJKL-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@H](C[N@@H+]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414657938 279306238 /nfs/dbraw/zinc/30/62/38/279306238.db2.gz PJZMVIBARROSEN-GFCCVEGCSA-N 1 3 286.341 3.104 20 0 CGADHO C[C@H](C[N@H+]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414657938 279306241 /nfs/dbraw/zinc/30/62/41/279306241.db2.gz PJZMVIBARROSEN-GFCCVEGCSA-N 1 3 286.341 3.104 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC1(F)CCC1 ZINC000423122600 279371893 /nfs/dbraw/zinc/37/18/93/279371893.db2.gz KEEBFVWNLFYPLW-ZIAGYGMSSA-N 1 3 256.409 3.169 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527670775 288187711 /nfs/dbraw/zinc/18/77/11/288187711.db2.gz QMIMSPHUVUMEGM-JKSUJKDBSA-N 1 3 271.408 3.130 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527682109 288188217 /nfs/dbraw/zinc/18/82/17/288188217.db2.gz CKSYPWHSRLUABU-JVPBZIDWSA-N 1 3 299.462 3.322 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422818622 280051025 /nfs/dbraw/zinc/05/10/25/280051025.db2.gz LBGCUXTYXAPYRP-BARDWOONSA-N 1 3 270.486 3.028 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049092743 280122703 /nfs/dbraw/zinc/12/27/03/280122703.db2.gz MJIJZZANCXCEMQ-KGLIPLIRSA-N 1 3 261.413 3.075 20 0 CGADHO Cc1cc2c(cc1C)[C@@H](NC[C@@H](C)C[NH3+])CCS2 ZINC000423310541 280676962 /nfs/dbraw/zinc/67/69/62/280676962.db2.gz RZSZPXBHMNRCEW-HZMBPMFUSA-N 1 3 264.438 3.025 20 0 CGADHO FC(F)(F)c1cccc2c1CCN(CC1CC[NH2+]CC1)C2 ZINC000530205524 288299276 /nfs/dbraw/zinc/29/92/76/288299276.db2.gz HWFSAQUTELCOIA-UHFFFAOYSA-N 1 3 298.352 3.063 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]CC[C@@H]1C)CCC2 ZINC000423137666 281124056 /nfs/dbraw/zinc/12/40/56/281124056.db2.gz WTFSYHOGKFIHCK-BMGDILEWSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCNC23CCC3)c1 ZINC000530179781 288296396 /nfs/dbraw/zinc/29/63/96/288296396.db2.gz XGNDWQLFBXXFFF-RDJZCZTQSA-N 1 3 272.436 3.190 20 0 CGADHO CCC(C)(C)C1CCC([NH2+]C2CCNCC2)CC1 ZINC000038040882 281980215 /nfs/dbraw/zinc/98/02/15/281980215.db2.gz RJNXLUOUNALIFT-UHFFFAOYSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](CN1C[C@H](C)C[C@@H]1C)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000533432392 288381233 /nfs/dbraw/zinc/38/12/33/288381233.db2.gz ZKGBWZMRRKFEMM-FRXHMLBDSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000533432392 288381234 /nfs/dbraw/zinc/38/12/34/288381234.db2.gz ZKGBWZMRRKFEMM-FRXHMLBDSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1C[C@@H](C)C[C@H]1C)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000533432392 288381236 /nfs/dbraw/zinc/38/12/36/288381236.db2.gz ZKGBWZMRRKFEMM-FRXHMLBDSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1C[C@@H](C)C[C@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432392 288381238 /nfs/dbraw/zinc/38/12/38/288381238.db2.gz ZKGBWZMRRKFEMM-FRXHMLBDSA-N 1 3 252.446 3.083 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CCC2 ZINC000246986872 282045113 /nfs/dbraw/zinc/04/51/13/282045113.db2.gz JFIRFARKVNFTQW-UMVBOHGHSA-N 1 3 293.480 3.291 20 0 CGADHO CCC(CC)(CCO)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089053 282067109 /nfs/dbraw/zinc/06/71/09/282067109.db2.gz XFDRBCNQZCBNCK-CVEARBPZSA-N 1 3 284.488 3.076 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000550575015 289078588 /nfs/dbraw/zinc/07/85/88/289078588.db2.gz YXHVMFRESNFNLY-SFHVURJKSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000550575015 289078591 /nfs/dbraw/zinc/07/85/91/289078591.db2.gz YXHVMFRESNFNLY-SFHVURJKSA-N 1 3 286.463 3.467 20 0 CGADHO CC(C)=CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176798 289100810 /nfs/dbraw/zinc/10/08/10/289100810.db2.gz FVDMZILAUQAXBK-DLBZAZTESA-N 1 3 258.409 3.378 20 0 CGADHO CC1=CC[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000552102407 289163434 /nfs/dbraw/zinc/16/34/34/289163434.db2.gz DKLIPVPTCRPIFL-QGZVFWFLSA-N 1 3 288.435 3.215 20 0 CGADHO Cc1cc(CN[C@H](CC[NH+](C)C)C(C)(C)C)cc(C)c1O ZINC000554860081 289314610 /nfs/dbraw/zinc/31/46/10/289314610.db2.gz WIYHHWCVFOZJFR-MRXNPFEDSA-N 1 3 292.467 3.465 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338689134 290019641 /nfs/dbraw/zinc/01/96/41/290019641.db2.gz RILJVDPSHXOIFG-IJCBKZNRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338689134 290019643 /nfs/dbraw/zinc/01/96/43/290019643.db2.gz RILJVDPSHXOIFG-IJCBKZNRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338689134 290019644 /nfs/dbraw/zinc/01/96/44/290019644.db2.gz RILJVDPSHXOIFG-IJCBKZNRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](c1cccnc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000271044887 290269623 /nfs/dbraw/zinc/26/96/23/290269623.db2.gz NVOFINHRHQITCD-OAHLLOKOSA-N 1 3 275.440 3.196 20 0 CGADHO COc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000423219222 295237216 /nfs/dbraw/zinc/23/72/16/295237216.db2.gz SXRUMACKFUKICL-KKUMJFAQSA-N 1 3 276.424 3.042 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000423319180 295239100 /nfs/dbraw/zinc/23/91/00/295239100.db2.gz DAVYSDKHDCFPHI-RKVPGOIHSA-N 1 3 290.451 3.167 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422820714 295248917 /nfs/dbraw/zinc/24/89/17/295248917.db2.gz RZNFTPJILZTMJR-CRWXNKLISA-N 1 3 292.389 3.462 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422894955 295296413 /nfs/dbraw/zinc/29/64/13/295296413.db2.gz DRHZLLOWMHHEMT-CVEARBPZSA-N 1 3 276.399 3.107 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000423376942 295306375 /nfs/dbraw/zinc/30/63/75/295306375.db2.gz JLKRVSUCYVTQMX-IIAWOOMASA-N 1 3 262.372 3.063 20 0 CGADHO COc1ccccc1[C@@H](NCC[C@H](C)[NH3+])C1CCCC1 ZINC000423227800 295385831 /nfs/dbraw/zinc/38/58/31/295385831.db2.gz XAOHCMHCAOHMNG-GUYCJALGSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000166648537 298378424 /nfs/dbraw/zinc/37/84/24/298378424.db2.gz IHSUXRKNLGZJMG-QLFBSQMISA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423327679 302100974 /nfs/dbraw/zinc/10/09/74/302100974.db2.gz DEQPVEQPUTUFDP-MOPGFXCFSA-N 1 3 286.463 3.295 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)CN(C)C ZINC000388754482 328300302 /nfs/dbraw/zinc/30/03/02/328300302.db2.gz MXWIBACAIJBAFK-AWEZNQCLSA-N 1 3 262.441 3.271 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@H](N)C2)c1 ZINC000565225780 322067695 /nfs/dbraw/zinc/06/76/95/322067695.db2.gz GXFOALBYMJSQAK-HOTGVXAUSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1cc(C)cc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000566230187 322110455 /nfs/dbraw/zinc/11/04/55/322110455.db2.gz PRHYFJHFKHROLN-UHFFFAOYSA-N 1 3 254.377 3.052 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@@H](c3cccnc3)C2)CCCCC1 ZINC000566555674 322129427 /nfs/dbraw/zinc/12/94/27/322129427.db2.gz IXUOABJFMFELQA-WBVHZDCISA-N 1 3 287.451 3.359 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000567198843 322153941 /nfs/dbraw/zinc/15/39/41/322153941.db2.gz FQHBMUDXOFFDNG-IKGGRYGDSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000567198843 322153943 /nfs/dbraw/zinc/15/39/43/322153943.db2.gz FQHBMUDXOFFDNG-IKGGRYGDSA-N 1 3 264.457 3.230 20 0 CGADHO C(=C\c1ccccc1)\CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567501666 322166169 /nfs/dbraw/zinc/16/61/69/322166169.db2.gz BFISZSSCSHTZHS-GINYUPMKSA-N 1 3 270.420 3.021 20 0 CGADHO CC(C)[C@H](CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000567871476 322181244 /nfs/dbraw/zinc/18/12/44/322181244.db2.gz DCHCBOKRIKPUKU-ROUUACIJSA-N 1 3 272.436 3.112 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000568404749 322207536 /nfs/dbraw/zinc/20/75/36/322207536.db2.gz KPTODZPAQSMIJQ-KZNAEPCWSA-N 1 3 272.436 3.266 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000568404749 322207538 /nfs/dbraw/zinc/20/75/38/322207538.db2.gz KPTODZPAQSMIJQ-KZNAEPCWSA-N 1 3 272.436 3.266 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000568414087 322208667 /nfs/dbraw/zinc/20/86/67/322208667.db2.gz ZZWGASZUGJBLDR-INIZCTEOSA-N 1 3 285.435 3.378 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCCNC1 ZINC000569330408 322243520 /nfs/dbraw/zinc/24/35/20/322243520.db2.gz XXSMNWWMQOUWBV-DZOHQFGASA-N 1 3 272.436 3.300 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CCCC34CC4)CC2)ccn1 ZINC000570292433 322270037 /nfs/dbraw/zinc/27/00/37/322270037.db2.gz JLVFVDUREQCPPB-KRWDZBQOSA-N 1 3 285.435 3.220 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCSc2ccc(F)cc2)C1 ZINC000571581171 322302512 /nfs/dbraw/zinc/30/25/12/322302512.db2.gz JKDJXRJPJLIWCY-ZIAGYGMSSA-N 1 3 282.428 3.167 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000572527317 322341918 /nfs/dbraw/zinc/34/19/18/322341918.db2.gz XUUCXJOWHVVWST-XJKSGUPXSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000572527317 322341919 /nfs/dbraw/zinc/34/19/19/322341919.db2.gz XUUCXJOWHVVWST-XJKSGUPXSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)s1 ZINC000572527317 322341921 /nfs/dbraw/zinc/34/19/21/322341921.db2.gz XUUCXJOWHVVWST-XJKSGUPXSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)s1 ZINC000572527317 322341922 /nfs/dbraw/zinc/34/19/22/322341922.db2.gz XUUCXJOWHVVWST-XJKSGUPXSA-N 1 3 278.465 3.227 20 0 CGADHO C[C@@]1(C[NH2+][C@H]2CCC[C@H](N)C2)C[C@H]1c1ccccc1 ZINC000572617257 322346510 /nfs/dbraw/zinc/34/65/10/322346510.db2.gz XGSOGPCOIKHLQC-QAETUUGQSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@]1(CN[C@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000572617257 322346513 /nfs/dbraw/zinc/34/65/13/322346513.db2.gz XGSOGPCOIKHLQC-QAETUUGQSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@H](c1cccc(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000572644062 322348070 /nfs/dbraw/zinc/34/80/70/322348070.db2.gz FVQZJTNWNRKWCA-BBRMVZONSA-N 1 3 276.399 3.208 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCc2cc(N)ccc21 ZINC000572857173 322358562 /nfs/dbraw/zinc/35/85/62/322358562.db2.gz OWDFAZHVLYTVSQ-SKDZVZGDSA-N 1 3 287.451 3.157 20 0 CGADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1 ZINC000574873296 322460463 /nfs/dbraw/zinc/46/04/63/322460463.db2.gz KPTICHYXKFJOAM-CYBMUJFWSA-N 1 3 297.402 3.020 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)[C@H]1CCCNC1 ZINC000584166833 327054511 /nfs/dbraw/zinc/05/45/11/327054511.db2.gz GEYHWWFRUFFPMX-QXSJWSMHSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000583024537 329299673 /nfs/dbraw/zinc/29/96/73/329299673.db2.gz BJFFZJKIHSXXTD-HUUCEWRRSA-N 1 3 299.418 3.398 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000583138100 329325434 /nfs/dbraw/zinc/32/54/34/329325434.db2.gz QAXVFCFBMAKUNA-DGADGQDISA-N 1 3 250.430 3.205 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000577123951 335304761 /nfs/dbraw/zinc/30/47/61/335304761.db2.gz ALOWSNYYKQVDJS-LOWDOPEQSA-N 1 3 278.362 3.357 20 0 CGADHO C1CC12CCC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000577530335 335365786 /nfs/dbraw/zinc/36/57/86/335365786.db2.gz GVDXVFMGTPOOCN-INIZCTEOSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000194493347 336027266 /nfs/dbraw/zinc/02/72/66/336027266.db2.gz HZAHUCSSOMZOJJ-PVAVHDDUSA-N 1 3 260.425 3.253 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000383266009 336106840 /nfs/dbraw/zinc/10/68/40/336106840.db2.gz HPOVHRCXFHZWOB-YESZJQIVSA-N 1 3 272.436 3.357 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000385777637 336156401 /nfs/dbraw/zinc/15/64/01/336156401.db2.gz BSZIIUKUJMVIGV-HXSCFSKGSA-N 1 3 270.486 3.015 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423532900 533773588 /nfs/dbraw/zinc/77/35/88/533773588.db2.gz RXOWXVJUCIPNKI-FHLIZLRMSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423397605 533814022 /nfs/dbraw/zinc/81/40/22/533814022.db2.gz TYFFZKKUUKZOJM-SNVBAGLBSA-N 1 3 272.314 3.110 20 0 CGADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423574349 533840930 /nfs/dbraw/zinc/84/09/30/533840930.db2.gz ZRBRHDCGJPFIBX-NSHDSACASA-N 1 3 282.790 3.440 20 0 CGADHO C[C@H](CCO)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449176649 533972044 /nfs/dbraw/zinc/97/20/44/533972044.db2.gz QWAPSKQQOQHBMO-OAHLLOKOSA-N 1 3 298.515 3.274 20 0 CGADHO C[C@H](CCO)C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449176649 533972049 /nfs/dbraw/zinc/97/20/49/533972049.db2.gz QWAPSKQQOQHBMO-OAHLLOKOSA-N 1 3 298.515 3.274 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000449061309 534259116 /nfs/dbraw/zinc/25/91/16/534259116.db2.gz IFDOWAFGKSDEIJ-GJZGRUSLSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@@H](Cc1ccoc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000449061309 534259118 /nfs/dbraw/zinc/25/91/18/534259118.db2.gz IFDOWAFGKSDEIJ-GJZGRUSLSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@@H](Cc1ccoc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000449061309 534259123 /nfs/dbraw/zinc/25/91/23/534259123.db2.gz IFDOWAFGKSDEIJ-GJZGRUSLSA-N 1 3 264.413 3.065 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423380152 534481325 /nfs/dbraw/zinc/48/13/25/534481325.db2.gz GZLXRMACKWHCHR-OLZOCXBDSA-N 1 3 266.454 3.485 20 0 CGADHO [NH3+]CCC[C@@H](NCc1cccs1)c1ccccc1 ZINC000415055792 534620227 /nfs/dbraw/zinc/62/02/27/534620227.db2.gz OUBSPKJYGALWAR-OAHLLOKOSA-N 1 3 260.406 3.318 20 0 CGADHO C[C@@H](CN1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538436 524615461 /nfs/dbraw/zinc/61/54/61/524615461.db2.gz QFIFGFIHEGKWDQ-YOEHRIQHSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538436 524615462 /nfs/dbraw/zinc/61/54/62/524615462.db2.gz QFIFGFIHEGKWDQ-YOEHRIQHSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538436 524615465 /nfs/dbraw/zinc/61/54/65/524615465.db2.gz QFIFGFIHEGKWDQ-YOEHRIQHSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@H](Cc1ccco1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000062771850 524746926 /nfs/dbraw/zinc/74/69/26/524746926.db2.gz IUACZKHBZQZWQB-CYBMUJFWSA-N 1 3 264.413 3.063 20 0 CGADHO C[C@@H](Cc1ccco1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000062771849 524927852 /nfs/dbraw/zinc/92/78/52/524927852.db2.gz IUACZKHBZQZWQB-ZDUSSCGKSA-N 1 3 264.413 3.063 20 0 CGADHO Cc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000049159326 525916650 /nfs/dbraw/zinc/91/66/50/525916650.db2.gz ZDNPKVCEOZLULS-FUDCBSFHSA-N 1 3 264.438 3.332 20 0 CGADHO Cc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000049159326 525916653 /nfs/dbraw/zinc/91/66/53/525916653.db2.gz ZDNPKVCEOZLULS-FUDCBSFHSA-N 1 3 264.438 3.332 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549060 536475512 /nfs/dbraw/zinc/47/55/12/536475512.db2.gz CIJRXKPCMNKBFB-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549060 536475514 /nfs/dbraw/zinc/47/55/14/536475514.db2.gz CIJRXKPCMNKBFB-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549060 536475516 /nfs/dbraw/zinc/47/55/16/536475516.db2.gz CIJRXKPCMNKBFB-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549060 536475519 /nfs/dbraw/zinc/47/55/19/536475519.db2.gz CIJRXKPCMNKBFB-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO CC(C)CCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000363836054 527704865 /nfs/dbraw/zinc/70/48/65/527704865.db2.gz UEGJVDYUVWEXQY-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@@](C)(O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000358722805 527834167 /nfs/dbraw/zinc/83/41/67/527834167.db2.gz KFPYGVAOCTYEKY-QGZVFWFLSA-N 1 3 284.488 3.026 20 0 CGADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423315560 528163289 /nfs/dbraw/zinc/16/32/89/528163289.db2.gz IZIBTEYTXJTBEG-DYVFJYSZSA-N 1 3 276.424 3.109 20 0 CGADHO CC(C)c1nc([C@H](C)NCCC2=CC[NH2+]CC2)cs1 ZINC000423540870 528313952 /nfs/dbraw/zinc/31/39/52/528313952.db2.gz QYVUDSAKTFQZED-LBPRGKRZSA-N 1 3 279.453 3.227 20 0 CGADHO CCOc1ccc(Cl)cc1[C@H](C)NCC[C@H]1CC[NH2+]C1 ZINC000423254490 528475334 /nfs/dbraw/zinc/47/53/34/528475334.db2.gz YENQJEWLXFRPFT-QWHCGFSZSA-N 1 3 296.842 3.389 20 0 CGADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425930617 528487538 /nfs/dbraw/zinc/48/75/38/528487538.db2.gz ITXNLJKZNUPKDN-SJLPKXTDSA-N 1 3 292.467 3.015 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCO1 ZINC000422990785 528787401 /nfs/dbraw/zinc/78/74/01/528787401.db2.gz NYWJPHHAVUWQIX-SFFUCWETSA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000359646059 528818053 /nfs/dbraw/zinc/81/80/53/528818053.db2.gz TXLTUFATTNRLCA-RHSMWYFYSA-N 1 3 260.425 3.240 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423281772 528950373 /nfs/dbraw/zinc/95/03/73/528950373.db2.gz BPRRNCZSSJULGC-NSHDSACASA-N 1 3 266.454 3.405 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000423287577 528953978 /nfs/dbraw/zinc/95/39/78/528953978.db2.gz NBOKTMDZAZPIPG-QGZVFWFLSA-N 1 3 274.452 3.423 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000437762022 529051956 /nfs/dbraw/zinc/05/19/56/529051956.db2.gz JJDYZSFERUPCQK-KRWDZBQOSA-N 1 3 297.446 3.365 20 0 CGADHO CC[C@@H](NCC[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000423233335 529167715 /nfs/dbraw/zinc/16/77/15/529167715.db2.gz OCQSLAZKYFQNKO-GXFFZTMASA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449185956 529223968 /nfs/dbraw/zinc/22/39/68/529223968.db2.gz BMIHVOVNFIWIEG-MRXNPFEDSA-N 1 3 298.515 3.416 20 0 CGADHO CC(C)(C[NH2+]CC1Cc2ccccc2C1)CN1CCCC1 ZINC000518020150 535147418 /nfs/dbraw/zinc/14/74/18/535147418.db2.gz SBCPTFJJNVQNIL-UHFFFAOYSA-N 1 3 286.463 3.113 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(CCc3ccc(Cl)cc3)C2)C1 ZINC000451072051 536381815 /nfs/dbraw/zinc/38/18/15/536381815.db2.gz UXKPZTGETKLSAV-QGZVFWFLSA-N 1 3 292.854 3.300 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(CCc3ccc(Cl)cc3)C2)C1 ZINC000451072051 536381818 /nfs/dbraw/zinc/38/18/18/536381818.db2.gz UXKPZTGETKLSAV-QGZVFWFLSA-N 1 3 292.854 3.300 20 0 CGADHO Cc1cc(C)c(CNCc2ccc(C[NH3+])cc2)cc1C ZINC000259149855 572331062 /nfs/dbraw/zinc/33/10/62/572331062.db2.gz XPBXIKLCFAOWRA-UHFFFAOYSA-N 1 3 268.404 3.360 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCCO)C1 ZINC000175772573 617739185 /nfs/dbraw/zinc/73/91/85/617739185.db2.gz YWBBWQSXGMDZLV-QZTJIDSGSA-N 1 3 296.499 3.126 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCCO)C1 ZINC000175772573 617739192 /nfs/dbraw/zinc/73/91/92/617739192.db2.gz YWBBWQSXGMDZLV-QZTJIDSGSA-N 1 3 296.499 3.126 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C1CC1)C1CCOCC1)N1CCCCC1 ZINC000926140118 618166997 /nfs/dbraw/zinc/16/69/97/618166997.db2.gz BEFORFXHLNAEIL-YJBOKZPZSA-N 1 3 294.483 3.046 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892615139 618875031 /nfs/dbraw/zinc/87/50/31/618875031.db2.gz WNAZDESEOQQUNQ-DNOWBOINSA-N 1 3 294.389 3.142 20 0 CGADHO C[NH+](C)CC1CCC([NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC000893186694 619022444 /nfs/dbraw/zinc/02/24/44/619022444.db2.gz ASOSLZPJEGMJPA-UHFFFAOYSA-N 1 3 296.842 3.256 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000925680870 619129197 /nfs/dbraw/zinc/12/91/97/619129197.db2.gz RJKFEXUYFREDQD-CRWXNKLISA-N 1 3 286.410 3.178 20 0 CGADHO CC1(C)[C@@H](NC[C@@H]2CCCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925680870 619129199 /nfs/dbraw/zinc/12/91/99/619129199.db2.gz RJKFEXUYFREDQD-CRWXNKLISA-N 1 3 286.410 3.178 20 0 CGADHO CCSC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925711655 619157764 /nfs/dbraw/zinc/15/77/64/619157764.db2.gz ZIYZYEPEFAOOIP-HUUCEWRRSA-N 1 3 282.497 3.030 20 0 CGADHO CCSc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000925733440 619207827 /nfs/dbraw/zinc/20/78/27/619207827.db2.gz UOSQHGGEWTXVAG-UKRRQHHQSA-N 1 3 264.438 3.016 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)s1 ZINC000925777312 619240384 /nfs/dbraw/zinc/24/03/84/619240384.db2.gz DEKPLDFOERHYTF-GHMZBOCLSA-N 1 3 288.407 3.206 20 0 CGADHO Cc1ccc(OC[C@H](C)[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000317184672 619244933 /nfs/dbraw/zinc/24/49/33/619244933.db2.gz WHDUOVUIZRCMKA-KYNGSXCRSA-N 1 3 296.414 3.497 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCS1 ZINC000925857091 619297606 /nfs/dbraw/zinc/29/76/06/619297606.db2.gz HCKMLLNTTJHJEV-OJLVUWQFSA-N 1 3 282.497 3.028 20 0 CGADHO CCCSC[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000894171473 619403966 /nfs/dbraw/zinc/40/39/66/619403966.db2.gz JFQZWSWCPIJYSD-WLYUNCDWSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000894456811 619543766 /nfs/dbraw/zinc/54/37/66/619543766.db2.gz REVJVYYABYTSCV-NVXWUHKLSA-N 1 3 272.436 3.036 20 0 CGADHO CN1CCC[C@]2(CC[N@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860008 619656286 /nfs/dbraw/zinc/65/62/86/619656286.db2.gz SIXQJNBGXDPUKO-PXPSOEEZSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@]2(CC[N@@H+](C/C=C/c3cccc(F)c3)C2)C1 ZINC000894860008 619656288 /nfs/dbraw/zinc/65/62/88/619656288.db2.gz SIXQJNBGXDPUKO-PXPSOEEZSA-N 1 3 288.410 3.257 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCc1ccc(F)cc1)N(C)C ZINC000895293743 619798954 /nfs/dbraw/zinc/79/89/54/619798954.db2.gz KYNODSXQOKASFN-UONOGXRCSA-N 1 3 266.404 3.077 20 0 CGADHO CC1(N2CCC2)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000895672819 619869679 /nfs/dbraw/zinc/86/96/79/619869679.db2.gz ZOSRNDPDEIPZAX-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CC1([NH+]2CCC2)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000895672461 619869865 /nfs/dbraw/zinc/86/98/65/619869865.db2.gz ZCFYBDAIOISARI-ZWKOTPCHSA-N 1 3 284.447 3.350 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2(SC)CCC2)CC1 ZINC000895822544 619890695 /nfs/dbraw/zinc/89/06/95/619890695.db2.gz OGFIRNKLLSIWIP-UHFFFAOYSA-N 1 3 282.497 3.222 20 0 CGADHO CCC1([NH+]2CCC2)CCN(CC2(SC)CCC2)CC1 ZINC000895822544 619890698 /nfs/dbraw/zinc/89/06/98/619890698.db2.gz OGFIRNKLLSIWIP-UHFFFAOYSA-N 1 3 282.497 3.222 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccccc2NCC)CC1 ZINC000902041846 621112918 /nfs/dbraw/zinc/11/29/18/621112918.db2.gz LOUJQDFXDVFCPU-UHFFFAOYSA-N 1 3 275.440 3.082 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2ccc3cccnc3c2)C1 ZINC000902395555 621303487 /nfs/dbraw/zinc/30/34/87/621303487.db2.gz GWJVLMKJDJMOBN-INIZCTEOSA-N 1 3 283.419 3.103 20 0 CGADHO C[C@@H](Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903075547 621557911 /nfs/dbraw/zinc/55/79/11/621557911.db2.gz ZEHQHJZZKYTYSF-IICXIOTHSA-N 1 3 290.476 3.427 20 0 CGADHO C[C@@H](Cc1ccsc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903075547 621557919 /nfs/dbraw/zinc/55/79/19/621557919.db2.gz ZEHQHJZZKYTYSF-IICXIOTHSA-N 1 3 290.476 3.427 20 0 CGADHO CC(C)[NH+]1CCC(N[C@H](C)COCC2CCCCC2)CC1 ZINC000903353386 621711903 /nfs/dbraw/zinc/71/19/03/621711903.db2.gz CMADGMGKFVQYAR-MRXNPFEDSA-N 1 3 296.499 3.434 20 0 CGADHO CC1(C)CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)O1 ZINC000903354636 621712482 /nfs/dbraw/zinc/71/24/82/621712482.db2.gz AZMYFWCWZCTKQI-CVGRLMLNSA-N 1 3 292.467 3.082 20 0 CGADHO CC1(C)CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)O1 ZINC000903354636 621712485 /nfs/dbraw/zinc/71/24/85/621712485.db2.gz AZMYFWCWZCTKQI-CVGRLMLNSA-N 1 3 292.467 3.082 20 0 CGADHO CCN(CCc1cccs1)C[C@H]1CCCC[NH2+]C1 ZINC000903722707 621795914 /nfs/dbraw/zinc/79/59/14/621795914.db2.gz NTOVLDYBXMDIRB-AWEZNQCLSA-N 1 3 266.454 3.002 20 0 CGADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCSc1cccc(Cl)c1)C2 ZINC000903842875 621820038 /nfs/dbraw/zinc/82/00/38/621820038.db2.gz WWYMPXLAWGMIKL-YUTCNCBUSA-N 1 3 296.867 3.244 20 0 CGADHO CC[N@H+](C[C@@H](N)CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887296 621822563 /nfs/dbraw/zinc/82/25/63/621822563.db2.gz YKNJARRTHBOECZ-GWCFXTLKSA-N 1 3 274.330 3.191 20 0 CGADHO CC[N@@H+](C[C@@H](N)CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887296 621822567 /nfs/dbraw/zinc/82/25/67/621822567.db2.gz YKNJARRTHBOECZ-GWCFXTLKSA-N 1 3 274.330 3.191 20 0 CGADHO CC[N@H+](C[C@H](N)CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884898 621826755 /nfs/dbraw/zinc/82/67/55/621826755.db2.gz HVGVXMYUDMQQRW-DGCLKSJQSA-N 1 3 286.366 3.061 20 0 CGADHO CC[N@@H+](C[C@H](N)CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884898 621826758 /nfs/dbraw/zinc/82/67/58/621826758.db2.gz HVGVXMYUDMQQRW-DGCLKSJQSA-N 1 3 286.366 3.061 20 0 CGADHO Cc1ccc([C@@H]2CC[N@H+](C[C@@]3(C)CCCNC3)C2)cc1 ZINC000904340958 621909238 /nfs/dbraw/zinc/90/92/38/621909238.db2.gz GPRYCHBFERFOAO-MSOLQXFVSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccc([C@@H]2CC[N@@H+](C[C@@]3(C)CCCNC3)C2)cc1 ZINC000904340958 621909241 /nfs/dbraw/zinc/90/92/41/621909241.db2.gz GPRYCHBFERFOAO-MSOLQXFVSA-N 1 3 272.436 3.174 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@@H](C)C1 ZINC000906525345 622243648 /nfs/dbraw/zinc/24/36/48/622243648.db2.gz LWGWKISGZJFDIG-YOEHRIQHSA-N 1 3 299.418 3.162 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000229574329 623145264 /nfs/dbraw/zinc/14/52/64/623145264.db2.gz IVWDLOQFSQSIPH-ZBFHGGJFSA-N 1 3 278.415 3.077 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637821 623491212 /nfs/dbraw/zinc/49/12/12/623491212.db2.gz QBZCUZQXJHRVRU-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637821 623491218 /nfs/dbraw/zinc/49/12/18/623491218.db2.gz QBZCUZQXJHRVRU-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1nc(C)c([C@@H](C)NCc2ccc(CC[NH3+])cc2)s1 ZINC000070553288 625017481 /nfs/dbraw/zinc/01/74/81/625017481.db2.gz DEWFYZUYMCFYHP-LLVKDONJSA-N 1 3 289.448 3.112 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289616 626143521 /nfs/dbraw/zinc/14/35/21/626143521.db2.gz RAPFLZTYFWKDIG-ZFWWWQNUSA-N 1 3 250.430 3.016 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000923289616 626143523 /nfs/dbraw/zinc/14/35/23/626143523.db2.gz RAPFLZTYFWKDIG-ZFWWWQNUSA-N 1 3 250.430 3.016 20 0 CGADHO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495384 626157605 /nfs/dbraw/zinc/15/76/05/626157605.db2.gz BNRBTSWKRYXKNG-NQBHXWOUSA-N 1 3 284.806 3.457 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000765469763 627251765 /nfs/dbraw/zinc/25/17/65/627251765.db2.gz VBOGWXHCXZXATG-CYBMUJFWSA-N 1 3 297.402 3.140 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000765469763 627251767 /nfs/dbraw/zinc/25/17/67/627251767.db2.gz VBOGWXHCXZXATG-CYBMUJFWSA-N 1 3 297.402 3.140 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000765507226 627254758 /nfs/dbraw/zinc/25/47/58/627254758.db2.gz BQLNKVYPEVYNGK-CHWSQXEVSA-N 1 3 285.391 3.138 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000765507226 627254760 /nfs/dbraw/zinc/25/47/60/627254760.db2.gz BQLNKVYPEVYNGK-CHWSQXEVSA-N 1 3 285.391 3.138 20 0 CGADHO C[C@H]1CC[C@H](C)C1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000777131072 628251570 /nfs/dbraw/zinc/25/15/70/628251570.db2.gz XVSBJNLLTYXGMS-KBPBESRZSA-N 1 3 264.457 3.418 20 0 CGADHO CCC(CC)(CN[C@@H](C)CCO)[NH2+][C@H](C)c1ccccc1 ZINC000779349060 628409559 /nfs/dbraw/zinc/40/95/59/628409559.db2.gz VEZZDQMSMPRQBO-JKSUJKDBSA-N 1 3 292.467 3.257 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334705 629661458 /nfs/dbraw/zinc/66/14/58/629661458.db2.gz DTXFXKRKFRMHJZ-IAGOWNOFSA-N 1 3 290.838 3.355 20 0 CGADHO CN1CC[C@@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334705 629661462 /nfs/dbraw/zinc/66/14/62/629661462.db2.gz DTXFXKRKFRMHJZ-IAGOWNOFSA-N 1 3 290.838 3.355 20 0 CGADHO Cc1cc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc(Cl)n1 ZINC000797600478 629967259 /nfs/dbraw/zinc/96/72/59/629967259.db2.gz VNCIBBYFPFDZTP-AWEZNQCLSA-N 1 3 297.874 3.499 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865397839 630101073 /nfs/dbraw/zinc/10/10/73/630101073.db2.gz MTCVUXCPJAMQOW-UHFFFAOYSA-N 1 3 289.398 3.051 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000815556242 631793787 /nfs/dbraw/zinc/79/37/87/631793787.db2.gz QZZBWGDZHFDUAT-ZDUSSCGKSA-N 1 3 276.399 3.412 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(Cl)nc1 ZINC000817902345 632233266 /nfs/dbraw/zinc/23/32/66/632233266.db2.gz OKYQSQSWPSIQND-ZFWWWQNUSA-N 1 3 295.858 3.178 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817965530 632260030 /nfs/dbraw/zinc/26/00/30/632260030.db2.gz WUEGYUTZJAKXAW-MRVPVSSYSA-N 1 3 288.222 3.108 20 0 CGADHO CC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982519 632273016 /nfs/dbraw/zinc/27/30/16/632273016.db2.gz UQAMZNCKLGHQBF-SJORKVTESA-N 1 3 288.435 3.180 20 0 CGADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705352 633234903 /nfs/dbraw/zinc/23/49/03/633234903.db2.gz YLKHUIPRBUGUMQ-WMLDXEAASA-N 1 3 260.425 3.445 20 0 CGADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705352 633234906 /nfs/dbraw/zinc/23/49/06/633234906.db2.gz YLKHUIPRBUGUMQ-WMLDXEAASA-N 1 3 260.425 3.445 20 0 CGADHO CSC(C)(C)CC[NH+]1CCC(N2CCCCC2)CC1 ZINC000876560948 634857799 /nfs/dbraw/zinc/85/77/99/634857799.db2.gz IIQISPQRPQBGLP-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO c1c[nH]c([C@H]2CCCN2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873201298 634284964 /nfs/dbraw/zinc/28/49/64/634284964.db2.gz QNQHDIHHFZGUHI-OAHLLOKOSA-N 1 3 287.432 3.059 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873213454 634285919 /nfs/dbraw/zinc/28/59/19/634285919.db2.gz ZYOPCSDCUMYEQD-LLVKDONJSA-N 1 3 292.473 3.176 20 0 CGADHO Cc1ccccc1C1(NCc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873214071 634286252 /nfs/dbraw/zinc/28/62/52/634286252.db2.gz WYNNGMOEBYYGEQ-UHFFFAOYSA-N 1 3 298.455 3.481 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cc(-c2ccccc2)n[nH]1 ZINC000873231587 634293897 /nfs/dbraw/zinc/29/38/97/634293897.db2.gz QFUCLISUSFYMIF-UHFFFAOYSA-N 1 3 286.423 3.028 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cnc(C2CCC2)s1 ZINC000873231905 634294225 /nfs/dbraw/zinc/29/42/25/634294225.db2.gz YLMYQQMITQFURX-UHFFFAOYSA-N 1 3 281.469 3.362 20 0 CGADHO CC1(C)CC[C@H](CNC2CCC(C(F)F)CC2)[NH2+]C1 ZINC000873236676 634297014 /nfs/dbraw/zinc/29/70/14/634297014.db2.gz IDKUQTXXBUGBEC-WXRRBKDZSA-N 1 3 274.399 3.178 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877739461 635174943 /nfs/dbraw/zinc/17/49/43/635174943.db2.gz GHAHFGZYLJYRQV-YOEHRIQHSA-N 1 3 284.403 3.267 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877739461 635174944 /nfs/dbraw/zinc/17/49/44/635174944.db2.gz GHAHFGZYLJYRQV-YOEHRIQHSA-N 1 3 284.403 3.267 20 0 CGADHO C[C@@H]1CN(CCCCCCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000842472716 635377274 /nfs/dbraw/zinc/37/72/74/635377274.db2.gz JGFDXYSVYHZVLH-AEFFLSMTSA-N 1 3 290.451 3.358 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc(C2CC2)c1 ZINC000843053879 635551688 /nfs/dbraw/zinc/55/16/88/635551688.db2.gz VWFJJPYTAHTDHU-AYHJJNSGSA-N 1 3 270.420 3.408 20 0 CGADHO CC(C)c1nc([C@H](C)NCCCCCC[NH3+])cs1 ZINC000843341612 635648942 /nfs/dbraw/zinc/64/89/42/635648942.db2.gz KBZOFRZTNHWTAW-LBPRGKRZSA-N 1 3 269.458 3.436 20 0 CGADHO C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258790 635959935 /nfs/dbraw/zinc/95/99/35/635959935.db2.gz JLXOLGNAZLJGLG-KGLIPLIRSA-N 1 3 295.377 3.028 20 0 CGADHO C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)[C@H]1CCN ZINC000883434853 636754535 /nfs/dbraw/zinc/75/45/35/636754535.db2.gz CKNUIOBHYSDEQI-RDBSUJKOSA-N 1 3 274.399 3.261 20 0 CGADHO C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)[C@H]1CCN ZINC000883434853 636754542 /nfs/dbraw/zinc/75/45/42/636754542.db2.gz CKNUIOBHYSDEQI-RDBSUJKOSA-N 1 3 274.399 3.261 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883441166 636758646 /nfs/dbraw/zinc/75/86/46/636758646.db2.gz IMLSLJHHYKAGRZ-VQHPVUNQSA-N 1 3 288.435 3.012 20 0 CGADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883441166 636758651 /nfs/dbraw/zinc/75/86/51/636758651.db2.gz IMLSLJHHYKAGRZ-VQHPVUNQSA-N 1 3 288.435 3.012 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@H]3CCC[C@H](N(C)C)C3)[nH]c2c1 ZINC000850175031 636974195 /nfs/dbraw/zinc/97/41/95/636974195.db2.gz VBTLRWMFBPZIHD-RDJZCZTQSA-N 1 3 285.435 3.439 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000886040726 637380096 /nfs/dbraw/zinc/38/00/96/637380096.db2.gz BTAYPKHDXPNBPU-RCCFBDPRSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000886693477 637658950 /nfs/dbraw/zinc/65/89/50/637658950.db2.gz BRRCBKBBWIOVSD-BFJAYTPKSA-N 1 3 264.457 3.131 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCc2cccs2)CC1 ZINC000886710736 637667418 /nfs/dbraw/zinc/66/74/18/637667418.db2.gz FCXZIYFPXCHGBI-UHFFFAOYSA-N 1 3 278.465 3.241 20 0 CGADHO COCCC1(C[NH2+]C2CCN(CCC(C)C)CC2)CCC1 ZINC000925278260 638490303 /nfs/dbraw/zinc/49/03/03/638490303.db2.gz QVMULVKDLSGVNC-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2c(F)cccc2F)C1 ZINC000925477621 638508300 /nfs/dbraw/zinc/50/83/00/638508300.db2.gz FNXYISFUYJJVIQ-NWDGAFQWSA-N 1 3 282.378 3.003 20 0 CGADHO C[C@@H]([NH3+])[C@H](NCC(C1CC1)C1CC1)c1ccccc1 ZINC000925513926 638515468 /nfs/dbraw/zinc/51/54/68/638515468.db2.gz ISKYRJRPKAHYSV-PXAZEXFGSA-N 1 3 258.409 3.101 20 0 CGADHO CC[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925523858 638518977 /nfs/dbraw/zinc/51/89/77/638518977.db2.gz VOPMVKFIVKAENK-KFWWJZLASA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1C ZINC000925575890 638534771 /nfs/dbraw/zinc/53/47/71/638534771.db2.gz IGLCRZBQCPEMFH-DJIMGWMZSA-N 1 3 288.435 3.012 20 0 CGADHO Cc1ncc(CCNC2CC[NH+](CCC(C)C)CC2)s1 ZINC000925574411 638534807 /nfs/dbraw/zinc/53/48/07/638534807.db2.gz AZPCNICGHXENHR-UHFFFAOYSA-N 1 3 295.496 3.094 20 0 CGADHO Cc1ncc(CC[NH2+]C2CCN(CCC(C)C)CC2)s1 ZINC000925574411 638534810 /nfs/dbraw/zinc/53/48/10/638534810.db2.gz AZPCNICGHXENHR-UHFFFAOYSA-N 1 3 295.496 3.094 20 0 CGADHO CC(C)CSCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925626505 638547881 /nfs/dbraw/zinc/54/78/81/638547881.db2.gz RHPKJZCTYYDZDZ-HOTGVXAUSA-N 1 3 284.513 3.134 20 0 CGADHO c1csc(CCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925628611 638548707 /nfs/dbraw/zinc/54/87/07/638548707.db2.gz FDPKXJJATKLWEZ-IRXDYDNUSA-N 1 3 292.492 3.439 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925657427 638559196 /nfs/dbraw/zinc/55/91/96/638559196.db2.gz SGWCGFCCFMGMDZ-NWANDNLSSA-N 1 3 286.410 3.180 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000925674493 638564926 /nfs/dbraw/zinc/56/49/26/638564926.db2.gz ANEUMNAVPVGKLB-ADHGMGHFSA-N 1 3 284.447 3.156 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925683261 638568971 /nfs/dbraw/zinc/56/89/71/638568971.db2.gz NJECYXKKTQVTNL-QLFBSQMISA-N 1 3 286.410 3.180 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCCC(C)(C)[NH3+])CCCS2 ZINC000925736587 638590495 /nfs/dbraw/zinc/59/04/95/638590495.db2.gz BVZMHVGFMDKTLZ-AWEZNQCLSA-N 1 3 294.464 3.339 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCCc3c(OC)cccc32)CC1 ZINC000925757384 638599280 /nfs/dbraw/zinc/59/92/80/638599280.db2.gz GDNBJZPCQXZZHK-INIZCTEOSA-N 1 3 288.435 3.276 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCc3c2cccc3C)CC1 ZINC000925758689 638599445 /nfs/dbraw/zinc/59/94/45/638599445.db2.gz GLNQKRUUEZYUGN-INIZCTEOSA-N 1 3 258.409 3.186 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1C ZINC000925787058 638614948 /nfs/dbraw/zinc/61/49/48/638614948.db2.gz ZEUSDLKDZJPVLW-KBPBESRZSA-N 1 3 282.378 3.199 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925862206 638634097 /nfs/dbraw/zinc/63/40/97/638634097.db2.gz YCJYSWOXYFFYGJ-LJISPDSOSA-N 1 3 294.508 3.171 20 0 CGADHO CC[NH+](CC)[C@@H](CNc1ccnc(CO)c1)c1ccccc1 ZINC000858316232 638679340 /nfs/dbraw/zinc/67/93/40/638679340.db2.gz ONGXIAGFCFRWLI-SFHVURJKSA-N 1 3 299.418 3.069 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000926354943 638765498 /nfs/dbraw/zinc/76/54/98/638765498.db2.gz LFRPSXVQABXTLF-BJWYYQGGSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000926795073 638812876 /nfs/dbraw/zinc/81/28/76/638812876.db2.gz OUXJQWDAINURLW-VWDMACCTSA-N 1 3 294.414 3.445 20 0 CGADHO CCCC[N@H+](C[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033437 639101441 /nfs/dbraw/zinc/10/14/41/639101441.db2.gz RXALSBADNHSAEI-HNNXBMFYSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[N@@H+](C[C@@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033437 639101447 /nfs/dbraw/zinc/10/14/47/639101447.db2.gz RXALSBADNHSAEI-HNNXBMFYSA-N 1 3 296.499 3.434 20 0 CGADHO C[N@H+](C[C@H](O)CNC(C)(C)C)C1CCC(C(C)(C)C)CC1 ZINC001253394678 806214225 /nfs/dbraw/zinc/21/42/25/806214225.db2.gz QNWHRXAIRPBURK-UYSNPLJNSA-N 1 3 298.515 3.272 20 0 CGADHO C[N@@H+](C[C@H](O)CNC(C)(C)C)C1CCC(C(C)(C)C)CC1 ZINC001253394678 806214240 /nfs/dbraw/zinc/21/42/40/806214240.db2.gz QNWHRXAIRPBURK-UYSNPLJNSA-N 1 3 298.515 3.272 20 0 CGADHO CN(C[C@H](O)C[NH2+]C(C)(C)C)C1CCC(C(C)(C)C)CC1 ZINC001253394678 806214245 /nfs/dbraw/zinc/21/42/45/806214245.db2.gz QNWHRXAIRPBURK-UYSNPLJNSA-N 1 3 298.515 3.272 20 0 CGADHO CC(C)(NCc1ccccc1C[NH3+])c1ccnc(Cl)c1 ZINC001160912808 806320107 /nfs/dbraw/zinc/32/01/07/806320107.db2.gz UKWGKOPGSVDFRX-UHFFFAOYSA-N 1 3 289.810 3.219 20 0 CGADHO CN1CCC[C@H]1CC[NH2+]C1CCc2ccccc2CC1 ZINC001254452222 806404757 /nfs/dbraw/zinc/40/47/57/806404757.db2.gz GLCSQAFNXAMQPY-SFHVURJKSA-N 1 3 272.436 3.008 20 0 CGADHO CN(CCc1ccccc1Cl)[C@H]1CCC[N@H+](C)CC1 ZINC001254527505 806442290 /nfs/dbraw/zinc/44/22/90/806442290.db2.gz YRXZBYOTMKULHQ-HNNXBMFYSA-N 1 3 280.843 3.299 20 0 CGADHO CN(CCc1ccccc1Cl)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527505 806442294 /nfs/dbraw/zinc/44/22/94/806442294.db2.gz YRXZBYOTMKULHQ-HNNXBMFYSA-N 1 3 280.843 3.299 20 0 CGADHO CCN(Cc1cccs1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530246 806443108 /nfs/dbraw/zinc/44/31/08/806443108.db2.gz VSRHIPULUTULBQ-CYBMUJFWSA-N 1 3 252.427 3.054 20 0 CGADHO CCN(Cc1cccs1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530246 806443112 /nfs/dbraw/zinc/44/31/12/806443112.db2.gz VSRHIPULUTULBQ-CYBMUJFWSA-N 1 3 252.427 3.054 20 0 CGADHO C1=CC[C@H](CN2CCC([NH2+]C3CCSCC3)CC2)CC1 ZINC001255088367 806539596 /nfs/dbraw/zinc/53/95/96/806539596.db2.gz QKPHMBPCMLWUOV-HNNXBMFYSA-N 1 3 294.508 3.292 20 0 CGADHO CCc1cc(-n2c3ccccc3nc2[C@@H](C)N)cc[nH+]1 ZINC001162778332 806663722 /nfs/dbraw/zinc/66/37/22/806663722.db2.gz JIHDYYNBWDGMIR-LLVKDONJSA-N 1 3 266.348 3.003 20 0 CGADHO C[C@H](CC(F)(F)F)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001255634677 806686069 /nfs/dbraw/zinc/68/60/69/806686069.db2.gz CSMRHWGISIICNU-SECBINFHSA-N 1 3 266.351 3.308 20 0 CGADHO C[C@H](CC(F)(F)F)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001255641253 806689880 /nfs/dbraw/zinc/68/98/80/806689880.db2.gz XOWNTJQGPDWQMF-LLVKDONJSA-N 1 3 278.362 3.181 20 0 CGADHO Cc1ccc2c(c1)nccc2N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162990040 806691270 /nfs/dbraw/zinc/69/12/70/806691270.db2.gz ZYAVPNGIKWLUPP-DLBZAZTESA-N 1 3 267.376 3.240 20 0 CGADHO CC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001255667713 806699671 /nfs/dbraw/zinc/69/96/71/806699671.db2.gz PWYBHZFWSZDURN-HMQMGEFJSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001255667713 806699674 /nfs/dbraw/zinc/69/96/74/806699674.db2.gz PWYBHZFWSZDURN-HMQMGEFJSA-N 1 3 273.424 3.138 20 0 CGADHO CN(Cc1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680528 806704805 /nfs/dbraw/zinc/70/48/05/806704805.db2.gz YUZSCHQBGGMQQP-PBWFPOADSA-N 1 3 264.438 3.195 20 0 CGADHO CN(Cc1cccs1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680528 806704811 /nfs/dbraw/zinc/70/48/11/806704811.db2.gz YUZSCHQBGGMQQP-PBWFPOADSA-N 1 3 264.438 3.195 20 0 CGADHO C(C[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1)CN1CCCC1 ZINC000216406652 799134292 /nfs/dbraw/zinc/13/42/92/799134292.db2.gz ISOYSJCLUIEMAA-ZACQAIPSSA-N 1 3 264.457 3.421 20 0 CGADHO c1ccc(CN(Cc2ccc3c(c2)C[NH2+]C3)C2CC2)cc1 ZINC000383602758 799406144 /nfs/dbraw/zinc/40/61/44/799406144.db2.gz VOWHOYXZEKKFJW-UHFFFAOYSA-N 1 3 278.399 3.454 20 0 CGADHO C[C@H]1CCCN(Cc2cncc3ccccc32)[C@@H]1CC[NH3+] ZINC000404293526 799576051 /nfs/dbraw/zinc/57/60/51/799576051.db2.gz WFCKXLREELQQFO-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO CCN(CCC[NH+](C)C)[C@H](C)Cc1ccccc1F ZINC001255858632 806771611 /nfs/dbraw/zinc/77/16/11/806771611.db2.gz ZETINFBWYIQJPX-CQSZACIVSA-N 1 3 266.404 3.030 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000700823803 799881257 /nfs/dbraw/zinc/88/12/57/799881257.db2.gz SIUOYUJEENAMEZ-MCIONIFRSA-N 1 3 292.389 3.429 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000702664290 799913597 /nfs/dbraw/zinc/91/35/97/799913597.db2.gz AOXMZAYHPJOXHE-KDOFPFPSSA-N 1 3 266.388 3.275 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000702664290 799913602 /nfs/dbraw/zinc/91/36/02/799913602.db2.gz AOXMZAYHPJOXHE-KDOFPFPSSA-N 1 3 266.388 3.275 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001255948155 806793486 /nfs/dbraw/zinc/79/34/86/806793486.db2.gz GJITVDAFNZKWTL-JQFCIGGWSA-N 1 3 278.415 3.392 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001255948158 806793836 /nfs/dbraw/zinc/79/38/36/806793836.db2.gz GJITVDAFNZKWTL-XOKHGSTOSA-N 1 3 278.415 3.392 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708860959 799997525 /nfs/dbraw/zinc/99/75/25/799997525.db2.gz NQEXJIJDAQQBDR-KKUMJFAQSA-N 1 3 252.446 3.133 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709790871 800019231 /nfs/dbraw/zinc/01/92/31/800019231.db2.gz QSFHKFULHVBDFJ-JKSUJKDBSA-N 1 3 252.446 3.278 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709790871 800019237 /nfs/dbraw/zinc/01/92/37/800019237.db2.gz QSFHKFULHVBDFJ-JKSUJKDBSA-N 1 3 252.446 3.278 20 0 CGADHO CC(C)(CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709847830 800020076 /nfs/dbraw/zinc/02/00/76/800020076.db2.gz CTXNCEFOSATIHA-SFHVURJKSA-N 1 3 272.436 3.040 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1(CC2CCC2)CCOCC1 ZINC001255953581 806796774 /nfs/dbraw/zinc/79/67/74/806796774.db2.gz SWFSTHHOMCIUTD-MRXNPFEDSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)OC1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000715173020 800132423 /nfs/dbraw/zinc/13/24/23/800132423.db2.gz CLMJATQZBZUXEI-YZUHTNEWSA-N 1 3 282.472 3.185 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C[C@@H](C)C1 ZINC000715511821 800137215 /nfs/dbraw/zinc/13/72/15/800137215.db2.gz LUGJRFFIOPLSCV-NPJQDHAYSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000716533876 800174906 /nfs/dbraw/zinc/17/49/06/800174906.db2.gz UWEQUHCJGUPXRO-NBLURSEKSA-N 1 3 256.393 3.013 20 0 CGADHO C/C=C\CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716691636 800179357 /nfs/dbraw/zinc/17/93/57/800179357.db2.gz IRUTYWDVODMNPL-FRTIVUNVSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C\CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691636 800179359 /nfs/dbraw/zinc/17/93/59/800179359.db2.gz IRUTYWDVODMNPL-FRTIVUNVSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C\C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716691636 800179362 /nfs/dbraw/zinc/17/93/62/800179362.db2.gz IRUTYWDVODMNPL-FRTIVUNVSA-N 1 3 270.420 3.205 20 0 CGADHO CC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716709684 800179392 /nfs/dbraw/zinc/17/93/92/800179392.db2.gz CPTWEKNWMGTHPD-DKIMLUQUSA-N 1 3 272.436 3.428 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@@H]2CC[C@H]3C[C@H]32)c2ccccc21 ZINC000717033276 800189403 /nfs/dbraw/zinc/18/94/03/800189403.db2.gz ZHQJFINWJRQMOX-XBJNOIPFSA-N 1 3 256.393 3.157 20 0 CGADHO Fc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1C(F)F ZINC001119941075 802710695 /nfs/dbraw/zinc/71/06/95/802710695.db2.gz VPGRQPJKGWBFDL-LBPRGKRZSA-N 1 3 298.352 3.337 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c(F)cccc3F)C[C@@H]2C1 ZINC001119988970 802721688 /nfs/dbraw/zinc/72/16/88/802721688.db2.gz MMAOCYYYJKGCNF-HZSPNIEDSA-N 1 3 294.389 3.127 20 0 CGADHO CCCCN(CC)CC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256899756 807003488 /nfs/dbraw/zinc/00/34/88/807003488.db2.gz WBUHBNZKCKZYIQ-QGZVFWFLSA-N 1 3 295.515 3.105 20 0 CGADHO C(=C/C1CC[NH2+]CC1)\c1ccc(C2=NCCC2)cc1 ZINC001243893081 803064531 /nfs/dbraw/zinc/06/45/31/803064531.db2.gz NOEWGSPUNYTACO-ONEGZZNKSA-N 1 3 254.377 3.282 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246066523 804107252 /nfs/dbraw/zinc/10/72/52/804107252.db2.gz RJCQSJZJZZFUQD-HOTGVXAUSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246073277 804110224 /nfs/dbraw/zinc/11/02/24/804110224.db2.gz WMFSHLRITIPUGU-PMACEKPBSA-N 1 3 294.442 3.448 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccccc2C)C[C@H](CC)[NH2+]1 ZINC001246076439 804114715 /nfs/dbraw/zinc/11/47/15/804114715.db2.gz OYGBBQQHPQWDLV-BCDXTJNWSA-N 1 3 274.452 3.436 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246082232 804118563 /nfs/dbraw/zinc/11/85/63/804118563.db2.gz OKRJJJBABZELOV-KGLIPLIRSA-N 1 3 252.446 3.466 20 0 CGADHO c1ccc(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246097713 804130302 /nfs/dbraw/zinc/13/03/02/804130302.db2.gz MFVRISLNUUBBJB-UXHICEINSA-N 1 3 294.442 3.182 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)NC[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246101877 804134882 /nfs/dbraw/zinc/13/48/82/804134882.db2.gz BUZUJZJFPVBHGZ-FXUDXRNXSA-N 1 3 254.462 3.425 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246110862 804143592 /nfs/dbraw/zinc/14/35/92/804143592.db2.gz MSBDRLUNDLIDMF-ARFHVFGLSA-N 1 3 292.492 3.453 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@H]1CCC[NH2+][C@@H]1C ZINC001246113267 804145304 /nfs/dbraw/zinc/14/53/04/804145304.db2.gz TVQBXKZOFWJERV-JHJVBQTASA-N 1 3 298.833 3.388 20 0 CGADHO CCC(C)(C)C1CCC([NH2+]C[C@@]2(O)CCCCNC2)CC1 ZINC001246115486 804146195 /nfs/dbraw/zinc/14/61/95/804146195.db2.gz ZERHFZMDWGAXTE-LEOMRAHMSA-N 1 3 296.499 3.076 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CCC[NH2+]C[C@H]2C)cc1 ZINC001246117532 804149749 /nfs/dbraw/zinc/14/97/49/804149749.db2.gz JUGWAWKJWLFWKY-VYDXJSESSA-N 1 3 292.492 3.453 20 0 CGADHO CCCC[C@@H](CC(C)C)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246129338 804156570 /nfs/dbraw/zinc/15/65/70/804156570.db2.gz FMXMFBOBXIELDI-HRCADAONSA-N 1 3 252.446 3.466 20 0 CGADHO c1ccc2c(c1)CCC21CCC([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC1 ZINC001246153665 804170536 /nfs/dbraw/zinc/17/05/36/804170536.db2.gz ZPHQUSLHYKXHJV-HGVAJFHDSA-N 1 3 296.458 3.011 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCN1 ZINC001246193324 804202448 /nfs/dbraw/zinc/20/24/48/804202448.db2.gz MPTYQCOFIYFLJI-PWSUYJOCSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@@H](NCCSCc2ccccc2Cl)CC[NH2+]1 ZINC001246200212 804205003 /nfs/dbraw/zinc/20/50/03/804205003.db2.gz AYKQUXDXMPAYHH-JSGCOSHPSA-N 1 3 298.883 3.303 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2Cl)CCN1 ZINC001246200212 804205007 /nfs/dbraw/zinc/20/50/07/804205007.db2.gz AYKQUXDXMPAYHH-JSGCOSHPSA-N 1 3 298.883 3.303 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC001246213061 804210146 /nfs/dbraw/zinc/21/01/46/804210146.db2.gz XLUGUKGJXYDTAO-JMSVASOKSA-N 1 3 298.883 3.408 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246234867 804226690 /nfs/dbraw/zinc/22/66/90/804226690.db2.gz OTTQYHQKACJEGP-BJWYYQGGSA-N 1 3 290.451 3.137 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246239709 804231617 /nfs/dbraw/zinc/23/16/17/804231617.db2.gz SLOIEEWOZFXAID-CEXWTWQISA-N 1 3 286.463 3.444 20 0 CGADHO CC(C)C([NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1)C(C)C ZINC001246241329 804234058 /nfs/dbraw/zinc/23/40/58/804234058.db2.gz ZHYQMBBLVAJTFF-ZIAGYGMSSA-N 1 3 254.462 3.423 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246268943 804247909 /nfs/dbraw/zinc/24/79/09/804247909.db2.gz BPGQDNDEWULHON-IUODEOHRSA-N 1 3 280.843 3.391 20 0 CGADHO Fc1cccc([C@H]([NH2+][C@H]2CCCNC2)C2CCC2)c1 ZINC001246275883 804251767 /nfs/dbraw/zinc/25/17/67/804251767.db2.gz XVLCKLKFUMGWED-JKSUJKDBSA-N 1 3 262.372 3.009 20 0 CGADHO Cc1ccc(SC[C@@H](C)NC2(C[NH3+])CCCC2)cc1 ZINC001246278878 804255555 /nfs/dbraw/zinc/25/55/55/804255555.db2.gz JDYFGMJIHICPDQ-CQSZACIVSA-N 1 3 278.465 3.337 20 0 CGADHO C[C@H](N)c1ncc(-c2ccccc2)n1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246293077 804263076 /nfs/dbraw/zinc/26/30/76/804263076.db2.gz OCHSDTISPRECIW-NTQSIJHJSA-N 1 3 296.418 3.025 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246306074 804269384 /nfs/dbraw/zinc/26/93/84/804269384.db2.gz TXKQTDBNEIKRFT-IXDOHACOSA-N 1 3 292.854 3.318 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@H](C)Cc1ccc(F)cc1Cl ZINC001246304560 804269824 /nfs/dbraw/zinc/26/98/24/804269824.db2.gz DXZDBUIZFQNJJV-ZWNOBZJWSA-N 1 3 272.795 3.127 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246313671 804275004 /nfs/dbraw/zinc/27/50/04/804275004.db2.gz KCBMRXZSVWSAJV-NEPJUHHUSA-N 1 3 287.234 3.178 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246332594 804287928 /nfs/dbraw/zinc/28/79/28/804287928.db2.gz HUJCANBJSTWVQH-QLFBSQMISA-N 1 3 264.457 3.466 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C)CCN1 ZINC001246335601 804288870 /nfs/dbraw/zinc/28/88/70/804288870.db2.gz RQUBCYMDKHPIMW-LVQVYYBASA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@@H](C)C1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3)CC1 ZINC001246335928 804290643 /nfs/dbraw/zinc/29/06/43/804290643.db2.gz DJXKMTBUEAFHTO-OIIFCQGLSA-N 1 3 262.441 3.240 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C2CCC(C(C)C)CC2)CCN1 ZINC001246336922 804291292 /nfs/dbraw/zinc/29/12/92/804291292.db2.gz RPJUIJMSVRCGLS-BHDPWAOGSA-N 1 3 252.446 3.321 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCc2ccccc2N1 ZINC001246355653 804301147 /nfs/dbraw/zinc/30/11/47/804301147.db2.gz YYUKGXAGCUCNOF-NVXWUHKLSA-N 1 3 289.467 3.123 20 0 CGADHO CC(C)(CCN)[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246366024 804305680 /nfs/dbraw/zinc/30/56/80/804305680.db2.gz WIWFNCWPPUNBMK-JKSUJKDBSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@H]1CC[NH2+]CC1(C)C ZINC001246371951 804309691 /nfs/dbraw/zinc/30/96/91/804309691.db2.gz KIRCLYVXCGSIQU-DOMZBBRYSA-N 1 3 296.455 3.284 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC2(CC3CCC3)CC2)CCN1 ZINC001246378324 804310857 /nfs/dbraw/zinc/31/08/57/804310857.db2.gz WEUUOBSUSHBQON-CABCVRRESA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC2(CC3CCC3)CC2)CCN1 ZINC001246378327 804311502 /nfs/dbraw/zinc/31/15/02/804311502.db2.gz WEUUOBSUSHBQON-LSDHHAIUSA-N 1 3 250.430 3.077 20 0 CGADHO CCc1cc2c(cc1CC)CC(N[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246380195 804313809 /nfs/dbraw/zinc/31/38/09/804313809.db2.gz SZGZNPUUPMLZGI-RUYXUALKSA-N 1 3 298.474 3.151 20 0 CGADHO CCC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246381309 804313936 /nfs/dbraw/zinc/31/39/36/804313936.db2.gz OUYZFOAZMVSPFT-CQSZACIVSA-N 1 3 278.415 3.269 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246393138 804319860 /nfs/dbraw/zinc/31/98/60/804319860.db2.gz RELUELZIBSKMER-HZPDHXFCSA-N 1 3 284.488 3.340 20 0 CGADHO Clc1ccc(CCCCN[C@H]2CCCC[NH2+]C2)cc1 ZINC001246412734 804324924 /nfs/dbraw/zinc/32/49/24/804324924.db2.gz MAHMCCRXCSEWIG-INIZCTEOSA-N 1 3 280.843 3.394 20 0 CGADHO Fc1ccc([C@@H](CC2CCC2)[NH2+][C@H]2CCCNC2)cc1 ZINC001246411259 804326899 /nfs/dbraw/zinc/32/68/99/804326899.db2.gz TXHHLTJBDNBIKC-DLBZAZTESA-N 1 3 276.399 3.399 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430087 804329594 /nfs/dbraw/zinc/32/95/94/804329594.db2.gz FXFVXSLOAKTNLV-LSDHHAIUSA-N 1 3 264.457 3.323 20 0 CGADHO Fc1cccc(CC2([NH2+]C3CCCCC3)CCNCC2)c1 ZINC001246452194 804335658 /nfs/dbraw/zinc/33/56/58/804335658.db2.gz CSMMRWSAZUMLGC-UHFFFAOYSA-N 1 3 290.426 3.413 20 0 CGADHO CCCCCC[C@@H](CCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246464216 804344151 /nfs/dbraw/zinc/34/41/51/804344151.db2.gz IRHXDBNEZWJGME-OAGGEKHMSA-N 1 3 270.461 3.092 20 0 CGADHO CCCCC(CCCC)[NH2+][C@@H]1CCNCC12CC2 ZINC001246472668 804349723 /nfs/dbraw/zinc/34/97/23/804349723.db2.gz HYIOZLYNPQBHRI-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246475142 804352308 /nfs/dbraw/zinc/35/23/08/804352308.db2.gz RXHMZLRCRMWJLP-LSDHHAIUSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCCNC1)c1cccc(C)c1C ZINC001246475560 804352704 /nfs/dbraw/zinc/35/27/04/804352704.db2.gz OTTDYMSNXFVOIA-NVXWUHKLSA-N 1 3 260.425 3.486 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC001246512735 804367180 /nfs/dbraw/zinc/36/71/80/804367180.db2.gz BSJXFROPMVICDQ-YUELXQCFSA-N 1 3 252.446 3.035 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246509881 804368439 /nfs/dbraw/zinc/36/84/39/804368439.db2.gz KFATYJZFJPRMPB-BZZMCLGOSA-N 1 3 272.436 3.443 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246515241 804369751 /nfs/dbraw/zinc/36/97/51/804369751.db2.gz KVAIXZNHBWWKJE-HZPDHXFCSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@@H](N[C@H](C)Cc1c(F)cccc1Cl)C1C[NH2+]C1 ZINC001246514573 804370413 /nfs/dbraw/zinc/37/04/13/804370413.db2.gz IICJKDMEGFQTBC-BDJLRTHQSA-N 1 3 298.833 3.244 20 0 CGADHO C[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521227 804375673 /nfs/dbraw/zinc/37/56/73/804375673.db2.gz YHXHADOSRDQKLD-GDBMZVCRSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521227 804375680 /nfs/dbraw/zinc/37/56/80/804375680.db2.gz YHXHADOSRDQKLD-GDBMZVCRSA-N 1 3 260.425 3.428 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC001246547962 804397824 /nfs/dbraw/zinc/39/78/24/804397824.db2.gz DGYZZMREPWVBSO-RYRKJORJSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC001246547962 804397830 /nfs/dbraw/zinc/39/78/30/804397830.db2.gz DGYZZMREPWVBSO-RYRKJORJSA-N 1 3 274.452 3.233 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2CCC[C@@H](N)CC2)CC1 ZINC001246548628 804399130 /nfs/dbraw/zinc/39/91/30/804399130.db2.gz VCHGCVSIDBTEOA-SHARSMKWSA-N 1 3 252.446 3.405 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2CCC[C@@H](N)CC2)CC1 ZINC001246548628 804399136 /nfs/dbraw/zinc/39/91/36/804399136.db2.gz VCHGCVSIDBTEOA-SHARSMKWSA-N 1 3 252.446 3.405 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2CCC[C@H](N)CC2)CC1 ZINC001246548630 804399546 /nfs/dbraw/zinc/39/95/46/804399546.db2.gz VCHGCVSIDBTEOA-SLTAFYQDSA-N 1 3 252.446 3.405 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2CCC[C@H](N)CC2)CC1 ZINC001246548630 804399555 /nfs/dbraw/zinc/39/95/55/804399555.db2.gz VCHGCVSIDBTEOA-SLTAFYQDSA-N 1 3 252.446 3.405 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246562904 804411430 /nfs/dbraw/zinc/41/14/30/804411430.db2.gz IGPFSFPYJXQPBL-SRCQZFHVSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246562904 804411435 /nfs/dbraw/zinc/41/14/35/804411435.db2.gz IGPFSFPYJXQPBL-SRCQZFHVSA-N 1 3 292.854 3.257 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246562567 804412081 /nfs/dbraw/zinc/41/20/81/804412081.db2.gz YLOJQEAXWKBZRP-CHWSQXEVSA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246562567 804412086 /nfs/dbraw/zinc/41/20/86/804412086.db2.gz YLOJQEAXWKBZRP-CHWSQXEVSA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@@H](CCC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246562567 804412087 /nfs/dbraw/zinc/41/20/87/804412087.db2.gz YLOJQEAXWKBZRP-CHWSQXEVSA-N 1 3 262.388 3.261 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001246565759 804413691 /nfs/dbraw/zinc/41/36/91/804413691.db2.gz PUAYTLPKPVEUAQ-BQFCYCMXSA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001246565759 804413694 /nfs/dbraw/zinc/41/36/94/804413694.db2.gz PUAYTLPKPVEUAQ-BQFCYCMXSA-N 1 3 274.452 3.375 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246586307 804429066 /nfs/dbraw/zinc/42/90/66/804429066.db2.gz MUKUYCDJYDJWLQ-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246586307 804429070 /nfs/dbraw/zinc/42/90/70/804429070.db2.gz MUKUYCDJYDJWLQ-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246586309 804429887 /nfs/dbraw/zinc/42/98/87/804429887.db2.gz MUKUYCDJYDJWLQ-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246586309 804429894 /nfs/dbraw/zinc/42/98/94/804429894.db2.gz MUKUYCDJYDJWLQ-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CC[C@@]12CCCNC2 ZINC001246605664 804441776 /nfs/dbraw/zinc/44/17/76/804441776.db2.gz PXAWPAHGZXFTSY-MRXNPFEDSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CC[C@@]12CCCNC2 ZINC001246605664 804441779 /nfs/dbraw/zinc/44/17/79/804441779.db2.gz PXAWPAHGZXFTSY-MRXNPFEDSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(CC(C)C)N1CC[C@@]12CCC[NH2+]C2 ZINC001246605664 804441784 /nfs/dbraw/zinc/44/17/84/804441784.db2.gz PXAWPAHGZXFTSY-MRXNPFEDSA-N 1 3 252.446 3.275 20 0 CGADHO CCCCCC[C@@H](CC)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634036 804464219 /nfs/dbraw/zinc/46/42/19/804464219.db2.gz GUBOJCTVXRJUHH-MSOLQXFVSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@@H](CC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246634036 804464221 /nfs/dbraw/zinc/46/42/21/804464221.db2.gz GUBOJCTVXRJUHH-MSOLQXFVSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@@H](CC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246634036 804464224 /nfs/dbraw/zinc/46/42/24/804464224.db2.gz GUBOJCTVXRJUHH-MSOLQXFVSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@H](CC)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634041 804464291 /nfs/dbraw/zinc/46/42/91/804464291.db2.gz GUBOJCTVXRJUHH-ZWKOTPCHSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@H](CC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246634041 804464293 /nfs/dbraw/zinc/46/42/93/804464293.db2.gz GUBOJCTVXRJUHH-ZWKOTPCHSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@H](CC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246634041 804464297 /nfs/dbraw/zinc/46/42/97/804464297.db2.gz GUBOJCTVXRJUHH-ZWKOTPCHSA-N 1 3 296.499 3.437 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+]2CCCC23CCNCC3)cc1 ZINC001246642073 804469162 /nfs/dbraw/zinc/46/91/62/804469162.db2.gz AYHGXRXIWDFTSA-MRXNPFEDSA-N 1 3 286.463 3.398 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+]2CCCC23CCNCC3)cc1 ZINC001246642073 804469164 /nfs/dbraw/zinc/46/91/64/804469164.db2.gz AYHGXRXIWDFTSA-MRXNPFEDSA-N 1 3 286.463 3.398 20 0 CGADHO C[C@@H]1C[C@H](N2CCCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644632 804472446 /nfs/dbraw/zinc/47/24/46/804472446.db2.gz RQFIGOUERITJIA-VYDXJSESSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@H](CC(C)C)N1CCC[C@@]12CC[NH2+]C2 ZINC001246650261 804478971 /nfs/dbraw/zinc/47/89/71/804478971.db2.gz SHEDVBAKNQTFLE-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675893 804490369 /nfs/dbraw/zinc/49/03/69/804490369.db2.gz YVJKZBVXSAVLCU-RYQLBKOJSA-N 1 3 272.436 3.038 20 0 CGADHO CC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246675893 804490372 /nfs/dbraw/zinc/49/03/72/804490372.db2.gz YVJKZBVXSAVLCU-RYQLBKOJSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H](CF)[C@H](C2(N)CC2)C1 ZINC001246689306 804497052 /nfs/dbraw/zinc/49/70/52/804497052.db2.gz IKUVAGMUBTUWQL-YHUYYLMFSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](CF)[C@H](C2(N)CC2)C1 ZINC001246689306 804497056 /nfs/dbraw/zinc/49/70/56/804497056.db2.gz IKUVAGMUBTUWQL-YHUYYLMFSA-N 1 3 284.463 3.456 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246699174 804499690 /nfs/dbraw/zinc/49/96/90/804499690.db2.gz ZJXYWSPROOMCSX-KZNAEPCWSA-N 1 3 290.426 3.031 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246699174 804499695 /nfs/dbraw/zinc/49/96/95/804499695.db2.gz ZJXYWSPROOMCSX-KZNAEPCWSA-N 1 3 290.426 3.031 20 0 CGADHO CC(C)[C@H]1C[C@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773527 804504067 /nfs/dbraw/zinc/50/40/67/804504067.db2.gz AGTCSBQRUGSFEO-QZTJIDSGSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@H]1C[C@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246773527 804504074 /nfs/dbraw/zinc/50/40/74/804504074.db2.gz AGTCSBQRUGSFEO-QZTJIDSGSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246773527 804504080 /nfs/dbraw/zinc/50/40/80/804504080.db2.gz AGTCSBQRUGSFEO-QZTJIDSGSA-N 1 3 274.452 3.328 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246794070 804517373 /nfs/dbraw/zinc/51/73/73/804517373.db2.gz YNFFTLWXVCVYBR-SJORKVTESA-N 1 3 272.436 3.082 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246794070 804517380 /nfs/dbraw/zinc/51/73/80/804517380.db2.gz YNFFTLWXVCVYBR-SJORKVTESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN)C1 ZINC001246799205 804519986 /nfs/dbraw/zinc/51/99/86/804519986.db2.gz WNGYGJVECIIPJG-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H](CN)C1 ZINC001246799205 804519993 /nfs/dbraw/zinc/51/99/93/804519993.db2.gz WNGYGJVECIIPJG-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847313 804556895 /nfs/dbraw/zinc/55/68/95/804556895.db2.gz SWXHINZKHSQRTG-APIJFGDWSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847313 804556898 /nfs/dbraw/zinc/55/68/98/804556898.db2.gz SWXHINZKHSQRTG-APIJFGDWSA-N 1 3 252.446 3.274 20 0 CGADHO c1ccc(C2CCC([N@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246862957 804567271 /nfs/dbraw/zinc/56/72/71/804567271.db2.gz FWHATYUMQMISTP-BARLLCKDSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc(C2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246862957 804567282 /nfs/dbraw/zinc/56/72/82/804567282.db2.gz FWHATYUMQMISTP-BARLLCKDSA-N 1 3 284.447 3.397 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246869898 804571313 /nfs/dbraw/zinc/57/13/13/804571313.db2.gz XHBUVVHJWNJUBC-QRTARXTBSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246869898 804571316 /nfs/dbraw/zinc/57/13/16/804571316.db2.gz XHBUVVHJWNJUBC-QRTARXTBSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246869898 804571321 /nfs/dbraw/zinc/57/13/21/804571321.db2.gz XHBUVVHJWNJUBC-QRTARXTBSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(C)C)C[C@H](CC)N1 ZINC001246884296 804580261 /nfs/dbraw/zinc/58/02/61/804580261.db2.gz AETAUADIVKTDPM-JJXSEGSLSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)C)C[C@H](CC)N1 ZINC001246884296 804580264 /nfs/dbraw/zinc/58/02/64/804580264.db2.gz AETAUADIVKTDPM-JJXSEGSLSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@H]1C[C@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246898460 804587138 /nfs/dbraw/zinc/58/71/38/804587138.db2.gz YNXCIEGKZCWDFC-GOEBONIOSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246898460 804587143 /nfs/dbraw/zinc/58/71/43/804587143.db2.gz YNXCIEGKZCWDFC-GOEBONIOSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901354 804588217 /nfs/dbraw/zinc/58/82/17/804588217.db2.gz MNDHCVIKQISGAR-GLJUWKHASA-N 1 3 283.419 3.445 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901354 804588220 /nfs/dbraw/zinc/58/82/20/804588220.db2.gz MNDHCVIKQISGAR-GLJUWKHASA-N 1 3 283.419 3.445 20 0 CGADHO CC[C@H]1C[C@@H](N(CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906270 804591365 /nfs/dbraw/zinc/59/13/65/804591365.db2.gz DLWXMBPPLXTLJG-IRXDYDNUSA-N 1 3 260.425 3.348 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246908017 804591493 /nfs/dbraw/zinc/59/14/93/804591493.db2.gz KQRDXHPSFRWECL-KRWDZBQOSA-N 1 3 272.436 3.492 20 0 CGADHO CC[N@H+](Cc1ccc(C)cc1)[C@H]1CCNC2(CCC2)C1 ZINC001246908017 804591497 /nfs/dbraw/zinc/59/14/97/804591497.db2.gz KQRDXHPSFRWECL-KRWDZBQOSA-N 1 3 272.436 3.492 20 0 CGADHO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1CCNC2(CCC2)C1 ZINC001246908017 804591500 /nfs/dbraw/zinc/59/15/00/804591500.db2.gz KQRDXHPSFRWECL-KRWDZBQOSA-N 1 3 272.436 3.492 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH+]2CCCCCCCC2)CCN1 ZINC001246918451 804600486 /nfs/dbraw/zinc/60/04/86/804600486.db2.gz FJULUABYEZOCFH-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC1CCC([N@H+](CCOC)[C@H]2CCCNC2)CC1 ZINC001246927158 804604067 /nfs/dbraw/zinc/60/40/67/804604067.db2.gz GPANDDKITYNVQZ-JCYILVPMSA-N 1 3 282.472 3.046 20 0 CGADHO CCCC1CCC([N@@H+](CCOC)[C@H]2CCCNC2)CC1 ZINC001246927158 804604069 /nfs/dbraw/zinc/60/40/69/804604069.db2.gz GPANDDKITYNVQZ-JCYILVPMSA-N 1 3 282.472 3.046 20 0 CGADHO CCSC[C@@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246940338 804610723 /nfs/dbraw/zinc/61/07/23/804610723.db2.gz WIYOHRXXFFDCSA-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO CCSC[C@@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246940338 804610727 /nfs/dbraw/zinc/61/07/27/804610727.db2.gz WIYOHRXXFFDCSA-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO CC1(c2ccccc2)CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246943954 804612043 /nfs/dbraw/zinc/61/20/43/804612043.db2.gz GOVUUSUOQQIMPP-BCDXTJNWSA-N 1 3 284.447 3.323 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC001246970397 804622196 /nfs/dbraw/zinc/62/21/96/804622196.db2.gz YRHWRPALZKZJCH-WFASDCNBSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977998 804626343 /nfs/dbraw/zinc/62/63/43/804626343.db2.gz GTQXCROGIQCHIM-WDSOQIARSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977998 804626346 /nfs/dbraw/zinc/62/63/46/804626346.db2.gz GTQXCROGIQCHIM-WDSOQIARSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)[NH+]1CCC(N2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001257221880 807065361 /nfs/dbraw/zinc/06/53/61/807065361.db2.gz IZCMXWMFAPIRQD-INIZCTEOSA-N 1 3 290.426 3.488 20 0 CGADHO CCC[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001257310525 807099878 /nfs/dbraw/zinc/09/98/78/807099878.db2.gz GFWHBVIJXGOGCF-HNNXBMFYSA-N 1 3 275.440 3.072 20 0 CGADHO CC[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001257436386 807156000 /nfs/dbraw/zinc/15/60/00/807156000.db2.gz OHIWCBMBZCBVAM-CABCVRRESA-N 1 3 250.430 3.195 20 0 CGADHO c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167958710 807286900 /nfs/dbraw/zinc/28/69/00/807286900.db2.gz JDZWSDVCQRBMIV-YQQQUEKLSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167958710 807286902 /nfs/dbraw/zinc/28/69/02/807286902.db2.gz JDZWSDVCQRBMIV-YQQQUEKLSA-N 1 3 284.447 3.224 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001167983300 807290899 /nfs/dbraw/zinc/29/08/99/807290899.db2.gz FIBWRARZLURHFP-FVGDGBDSSA-N 1 3 274.452 3.124 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1C[C@@H]3CCC[C@@H]3C1)C2 ZINC001167983300 807290905 /nfs/dbraw/zinc/29/09/05/807290905.db2.gz FIBWRARZLURHFP-FVGDGBDSSA-N 1 3 274.452 3.124 20 0 CGADHO C[C@@H](Cc1ccco1)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001258178731 807343175 /nfs/dbraw/zinc/34/31/75/807343175.db2.gz LEBFTKYCUMGHBV-ZDUSSCGKSA-N 1 3 278.440 3.452 20 0 CGADHO C[C@@H](Cc1ccco1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258178731 807343183 /nfs/dbraw/zinc/34/31/83/807343183.db2.gz LEBFTKYCUMGHBV-ZDUSSCGKSA-N 1 3 278.440 3.452 20 0 CGADHO C[C@H](Cc1ccco1)NC1CC[NH+](CC2CCCC2)CC1 ZINC001258181231 807344881 /nfs/dbraw/zinc/34/48/81/807344881.db2.gz KSLWMAWAVBTAQI-OAHLLOKOSA-N 1 3 290.451 3.455 20 0 CGADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc2c1CCC2 ZINC001168351142 807391210 /nfs/dbraw/zinc/39/12/10/807391210.db2.gz HZVHRHZMOJWPAU-UHFFFAOYSA-N 1 3 284.447 3.139 20 0 CGADHO CSC(C)(C)C[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC001258332347 807414262 /nfs/dbraw/zinc/41/42/62/807414262.db2.gz VTOOVMBIDTVBDA-AWEZNQCLSA-N 1 3 284.513 3.467 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH+]1CCC(N2CCCC2)CC1 ZINC001258332347 807414264 /nfs/dbraw/zinc/41/42/64/807414264.db2.gz VTOOVMBIDTVBDA-AWEZNQCLSA-N 1 3 284.513 3.467 20 0 CGADHO COc1ccc(CC[C@@H](C)[N@H+](CCCN)C(C)C)cc1 ZINC001258389477 807437025 /nfs/dbraw/zinc/43/70/25/807437025.db2.gz PQXPQVPEFKPHNG-OAHLLOKOSA-N 1 3 278.440 3.076 20 0 CGADHO COc1ccc(CC[C@@H](C)[N@@H+](CCCN)C(C)C)cc1 ZINC001258389477 807437027 /nfs/dbraw/zinc/43/70/27/807437027.db2.gz PQXPQVPEFKPHNG-OAHLLOKOSA-N 1 3 278.440 3.076 20 0 CGADHO CCCCC[C@H](CC)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001258433580 807448390 /nfs/dbraw/zinc/44/83/90/807448390.db2.gz ATCPXWZOBFYUPO-HNNXBMFYSA-N 1 3 298.471 3.092 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)CCCN ZINC001258649652 807522006 /nfs/dbraw/zinc/52/20/06/807522006.db2.gz NCAXDCYHACLXSR-QGZVFWFLSA-N 1 3 262.441 3.459 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CCCN ZINC001258649652 807522011 /nfs/dbraw/zinc/52/20/11/807522011.db2.gz NCAXDCYHACLXSR-QGZVFWFLSA-N 1 3 262.441 3.459 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CC(C)(C)C1 ZINC001258702860 807557889 /nfs/dbraw/zinc/55/78/89/807557889.db2.gz DIPFJMQJHXBPSG-GJZGRUSLSA-N 1 3 264.457 3.229 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccccc1)C1CC1)C2 ZINC001169080367 807569686 /nfs/dbraw/zinc/56/96/86/807569686.db2.gz MWJQCKIWMWTBQQ-FJIDUMEYSA-N 1 3 270.420 3.353 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H](c1ccccc1)C1CC1)C2 ZINC001169080367 807569692 /nfs/dbraw/zinc/56/96/92/807569692.db2.gz MWJQCKIWMWTBQQ-FJIDUMEYSA-N 1 3 270.420 3.353 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)F)C2 ZINC001169096165 807573476 /nfs/dbraw/zinc/57/34/76/807573476.db2.gz VKODNOXFKHYEAW-BTTYYORXSA-N 1 3 280.362 3.339 20 0 CGADHO CCCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169099466 807576388 /nfs/dbraw/zinc/57/63/88/807576388.db2.gz SMVPBQPYSUUXAB-BJWYYQGGSA-N 1 3 288.435 3.190 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169108670 807578372 /nfs/dbraw/zinc/57/83/72/807578372.db2.gz UXSVYCHMRZAAFU-JYYAWHABSA-N 1 3 286.419 3.033 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C)o1 ZINC001169108985 807579276 /nfs/dbraw/zinc/57/92/76/807579276.db2.gz XMLQEIZFWQIAQD-APIJFGDWSA-N 1 3 262.397 3.254 20 0 CGADHO Cc1cccc(C(C)(C)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169116961 807581813 /nfs/dbraw/zinc/58/18/13/807581813.db2.gz UXGRFZGIHKCUNW-BJWYYQGGSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc(C(C)(C)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169116961 807581818 /nfs/dbraw/zinc/58/18/18/807581818.db2.gz UXGRFZGIHKCUNW-BJWYYQGGSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125405 807586054 /nfs/dbraw/zinc/58/60/54/807586054.db2.gz HSYWMASORLTTRP-QMCVQRASSA-N 1 3 270.420 3.231 20 0 CGADHO C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125405 807586057 /nfs/dbraw/zinc/58/60/57/807586057.db2.gz HSYWMASORLTTRP-QMCVQRASSA-N 1 3 270.420 3.231 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146115 807593443 /nfs/dbraw/zinc/59/34/43/807593443.db2.gz OSXSJOQZJYLDAV-BGTYHANMSA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146115 807593445 /nfs/dbraw/zinc/59/34/45/807593445.db2.gz OSXSJOQZJYLDAV-BGTYHANMSA-N 1 3 288.410 3.240 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([N@H+](CCCN)C3CCCCC3)C[C@@H]21 ZINC001170715354 807881821 /nfs/dbraw/zinc/88/18/21/807881821.db2.gz GSWQMRYLFBCELT-MUJYYYPQSA-N 1 3 264.457 3.405 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([N@@H+](CCCN)C3CCCCC3)C[C@@H]21 ZINC001170715354 807881825 /nfs/dbraw/zinc/88/18/25/807881825.db2.gz GSWQMRYLFBCELT-MUJYYYPQSA-N 1 3 264.457 3.405 20 0 CGADHO C(C1CCCCC1)N1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC001170797072 807908919 /nfs/dbraw/zinc/90/89/19/807908919.db2.gz SMMSVHAMAHSJQG-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171411655 808050749 /nfs/dbraw/zinc/05/07/49/808050749.db2.gz LDTIKQZCAJPXHN-BZUAXINKSA-N 1 3 290.426 3.145 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCc2ccc(O)cc2)CC1(C)C ZINC001171613155 808105702 /nfs/dbraw/zinc/10/57/02/808105702.db2.gz GKGHNFBXMNRJFQ-UHFFFAOYSA-N 1 3 290.451 3.176 20 0 CGADHO C[NH+]1C(C)(C)CC(N[C@H]2C=CCCC2)CC1(C)C ZINC001171626844 808107827 /nfs/dbraw/zinc/10/78/27/808107827.db2.gz DAQZKYNSSLEPLA-ZDUSSCGKSA-N 1 3 250.430 3.336 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2C=CCCC2)CC1(C)C ZINC001171626844 808107831 /nfs/dbraw/zinc/10/78/31/808107831.db2.gz DAQZKYNSSLEPLA-ZDUSSCGKSA-N 1 3 250.430 3.336 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001171673814 808120374 /nfs/dbraw/zinc/12/03/74/808120374.db2.gz YSIFGUNGTVWCCZ-UHOSZYNNSA-N 1 3 286.463 3.200 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001171673814 808120377 /nfs/dbraw/zinc/12/03/77/808120377.db2.gz YSIFGUNGTVWCCZ-UHOSZYNNSA-N 1 3 286.463 3.200 20 0 CGADHO NCCC[N@H+]([C@@H]1Cc2cccc(F)c2C1)C1CCCCC1 ZINC001171772896 808134734 /nfs/dbraw/zinc/13/47/34/808134734.db2.gz FXVILDAMCCJSLX-MRXNPFEDSA-N 1 3 290.426 3.276 20 0 CGADHO NCCC[N@@H+]([C@@H]1Cc2cccc(F)c2C1)C1CCCCC1 ZINC001171772896 808134737 /nfs/dbraw/zinc/13/47/37/808134737.db2.gz FXVILDAMCCJSLX-MRXNPFEDSA-N 1 3 290.426 3.276 20 0 CGADHO CCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962465 808160328 /nfs/dbraw/zinc/16/03/28/808160328.db2.gz DJOAGTSVAFULPY-QGZVFWFLSA-N 1 3 290.451 3.056 20 0 CGADHO CCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962465 808160331 /nfs/dbraw/zinc/16/03/31/808160331.db2.gz DJOAGTSVAFULPY-QGZVFWFLSA-N 1 3 290.451 3.056 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001171964756 808161283 /nfs/dbraw/zinc/16/12/83/808161283.db2.gz OITYYIYWMUMDHI-DDTOSNHZSA-N 1 3 286.341 3.106 20 0 CGADHO CC1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977654 808164050 /nfs/dbraw/zinc/16/40/50/808164050.db2.gz TWEDKNAYWOCGTJ-KRWDZBQOSA-N 1 3 272.436 3.381 20 0 CGADHO CC1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977654 808164051 /nfs/dbraw/zinc/16/40/51/808164051.db2.gz TWEDKNAYWOCGTJ-KRWDZBQOSA-N 1 3 272.436 3.381 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098675 808170159 /nfs/dbraw/zinc/17/01/59/808170159.db2.gz GMOQZPJBHOAGRT-KBXIAJHMSA-N 1 3 298.434 3.244 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098675 808170160 /nfs/dbraw/zinc/17/01/60/808170160.db2.gz GMOQZPJBHOAGRT-KBXIAJHMSA-N 1 3 298.434 3.244 20 0 CGADHO Cc1cccc(C)c1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104180 808174054 /nfs/dbraw/zinc/17/40/54/808174054.db2.gz ANFHVSZXCXJUIT-BJWYYQGGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cccc(C)c1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104180 808174056 /nfs/dbraw/zinc/17/40/56/808174056.db2.gz ANFHVSZXCXJUIT-BJWYYQGGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC001172106892 808175990 /nfs/dbraw/zinc/17/59/90/808175990.db2.gz QTRKXCLGKPIQEY-FPCVCCKLSA-N 1 3 273.424 3.056 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccc(F)cc31)C2 ZINC001172106506 808177335 /nfs/dbraw/zinc/17/73/35/808177335.db2.gz PTKQLDJRQGMUCL-CUSZFKRNSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3ccc(F)cc31)C2 ZINC001172106506 808177337 /nfs/dbraw/zinc/17/73/37/808177337.db2.gz PTKQLDJRQGMUCL-CUSZFKRNSA-N 1 3 288.410 3.418 20 0 CGADHO C[NH+](C)C1CCN([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172556472 808385791 /nfs/dbraw/zinc/38/57/91/808385791.db2.gz ISSHWJUYKXNDQJ-AEFFLSMTSA-N 1 3 272.436 3.349 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001172918039 808478878 /nfs/dbraw/zinc/47/88/78/808478878.db2.gz JEEVWBPNKKMPGW-DZGCQCFKSA-N 1 3 282.472 3.185 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH+]2CCC(N(C)C)CC2)cc1 ZINC001173253463 808560975 /nfs/dbraw/zinc/56/09/75/808560975.db2.gz ULCKSZYCBCSXTH-OAHLLOKOSA-N 1 3 274.452 3.206 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173281621 808582777 /nfs/dbraw/zinc/58/27/77/808582777.db2.gz AKFNGFNYMQFLEF-CVEARBPZSA-N 1 3 273.424 3.091 20 0 CGADHO CCSC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001173292816 808592878 /nfs/dbraw/zinc/59/28/78/808592878.db2.gz RHFNJCZNQOFJDT-ZDUSSCGKSA-N 1 3 258.475 3.112 20 0 CGADHO CCSC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001173292816 808592881 /nfs/dbraw/zinc/59/28/81/808592881.db2.gz RHFNJCZNQOFJDT-ZDUSSCGKSA-N 1 3 258.475 3.112 20 0 CGADHO CCSC[C@H](C)[NH2+]C1CCN(C(CC)CC)CC1 ZINC001173298597 808597648 /nfs/dbraw/zinc/59/76/48/808597648.db2.gz NUWWIDCYAZCSBR-ZDUSSCGKSA-N 1 3 272.502 3.371 20 0 CGADHO CCSC[C@H](C)NC1CC[NH+](C(CC)CC)CC1 ZINC001173298597 808597653 /nfs/dbraw/zinc/59/76/53/808597653.db2.gz NUWWIDCYAZCSBR-ZDUSSCGKSA-N 1 3 272.502 3.371 20 0 CGADHO Cc1ccccc1CN1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275278826 808924839 /nfs/dbraw/zinc/92/48/39/808924839.db2.gz PMBRWMWSTRAPMC-SFHVURJKSA-N 1 3 272.436 3.303 20 0 CGADHO Cc1ccccc1CN1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275278826 808924846 /nfs/dbraw/zinc/92/48/46/808924846.db2.gz PMBRWMWSTRAPMC-SFHVURJKSA-N 1 3 272.436 3.303 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1cncc3ccccc31)C2 ZINC001275841791 808970641 /nfs/dbraw/zinc/97/06/41/808970641.db2.gz AQLAWROQWKJMOT-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cncc3ccccc31)C2 ZINC001275841791 808970645 /nfs/dbraw/zinc/97/06/45/808970645.db2.gz AQLAWROQWKJMOT-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CS[C@H](C)CCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276470204 809011305 /nfs/dbraw/zinc/01/13/05/809011305.db2.gz LLAKXXMSYVHVEU-OAHLLOKOSA-N 1 3 296.524 3.468 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCCN(Cc3cccc4c3CCC4)C2)C1 ZINC001277478204 809077670 /nfs/dbraw/zinc/07/76/70/809077670.db2.gz FUBQKUNPPCSMBK-FQEVSTJZSA-N 1 3 298.474 3.483 20 0 CGADHO C[N@H+]1CCC[C@]2(CCCN(Cc3cccc4c3CCC4)C2)C1 ZINC001277478204 809077676 /nfs/dbraw/zinc/07/76/76/809077676.db2.gz FUBQKUNPPCSMBK-FQEVSTJZSA-N 1 3 298.474 3.483 20 0 CGADHO CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001204089875 812547042 /nfs/dbraw/zinc/54/70/42/812547042.db2.gz SEGCLEKQLDIHKC-KBAYOESNSA-N 1 3 272.436 3.240 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@](C)(N)C1 ZINC001204782821 812734856 /nfs/dbraw/zinc/73/48/56/812734856.db2.gz KMXRLCSSZHUJHH-KRWDZBQOSA-N 1 3 254.377 3.071 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@](C)(N)C1 ZINC001204782821 812734861 /nfs/dbraw/zinc/73/48/61/812734861.db2.gz KMXRLCSSZHUJHH-KRWDZBQOSA-N 1 3 254.377 3.071 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC001205101526 812864739 /nfs/dbraw/zinc/86/47/39/812864739.db2.gz HWZHKTYKTMCFRG-SFHVURJKSA-N 1 3 281.403 3.062 20 0 CGADHO Cc1cc(N2CCN(Cc3cccc(C)c3C)CC2)cc[nH+]1 ZINC001205103779 812867291 /nfs/dbraw/zinc/86/72/91/812867291.db2.gz RBTDCCOJYJSPNH-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC001205281777 812930090 /nfs/dbraw/zinc/93/00/90/812930090.db2.gz XSNXCKUZEZRWQP-IBGZPJMESA-N 1 3 295.430 3.452 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205303627 812941835 /nfs/dbraw/zinc/94/18/35/812941835.db2.gz IWZJAGMSTXQAKJ-GDBMZVCRSA-N 1 3 274.452 3.401 20 0 CGADHO Fc1cc(Nc2ccncc2)ccc1C[NH+]1CCCCC1 ZINC001215710559 815564167 /nfs/dbraw/zinc/56/41/67/815564167.db2.gz XNVURNCLUOKXNO-UHFFFAOYSA-N 1 3 285.366 3.372 20 0 CGADHO CCCc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205305002 812944195 /nfs/dbraw/zinc/94/41/95/812944195.db2.gz QMCAMWNATFZKCB-RHSMWYFYSA-N 1 3 260.425 3.056 20 0 CGADHO C[C@@H]1CCNCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001205326460 812956135 /nfs/dbraw/zinc/95/61/35/812956135.db2.gz ZMKDOAUEYLNHEW-CQSZACIVSA-N 1 3 254.377 3.024 20 0 CGADHO C[C@@H]1CCNCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205326460 812956140 /nfs/dbraw/zinc/95/61/40/812956140.db2.gz ZMKDOAUEYLNHEW-CQSZACIVSA-N 1 3 254.377 3.024 20 0 CGADHO CC1=CC[C@H](CCN2CCC(F)(F)[C@@H](C[NH3+])C2)C1(C)C ZINC001205735089 813064618 /nfs/dbraw/zinc/06/46/18/813064618.db2.gz JYWYIOKLJXFMGW-KGLIPLIRSA-N 1 3 286.410 3.285 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914735 813131542 /nfs/dbraw/zinc/13/15/42/813131542.db2.gz NCSGKKXPQCPLHC-GOEBONIOSA-N 1 3 290.451 3.423 20 0 CGADHO [NH3+][C@H]1CCN(Cc2cccc(-c3ccccn3)c2)CC[C@H]1F ZINC001206188928 813233461 /nfs/dbraw/zinc/23/34/61/813233461.db2.gz WGJLOQXGKNUNFB-SJORKVTESA-N 1 3 299.393 3.010 20 0 CGADHO CCCCc1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206189825 813233832 /nfs/dbraw/zinc/23/38/32/813233832.db2.gz XQWYINRZJIEQFJ-IRXDYDNUSA-N 1 3 278.415 3.290 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206200147 813236079 /nfs/dbraw/zinc/23/60/79/813236079.db2.gz QROXYGFFFUUZPX-HOTGVXAUSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206200147 813236080 /nfs/dbraw/zinc/23/60/80/813236080.db2.gz QROXYGFFFUUZPX-HOTGVXAUSA-N 1 3 294.414 3.125 20 0 CGADHO C[C@H]1CNCCC[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206257946 813260388 /nfs/dbraw/zinc/26/03/88/813260388.db2.gz NWPHWCVKAGKQFO-BJJXKVORSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@H]1CNCCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001206257946 813260393 /nfs/dbraw/zinc/26/03/93/813260393.db2.gz NWPHWCVKAGKQFO-BJJXKVORSA-N 1 3 278.827 3.127 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CCCNC[C@@H]2C)c(C)c1C ZINC001206262924 813262715 /nfs/dbraw/zinc/26/27/15/813262715.db2.gz JQPIYWCGKGQZII-LBPRGKRZSA-N 1 3 274.452 3.413 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CCCNC[C@@H]2C)c(C)c1C ZINC001206262924 813262719 /nfs/dbraw/zinc/26/27/19/813262719.db2.gz JQPIYWCGKGQZII-LBPRGKRZSA-N 1 3 274.452 3.413 20 0 CGADHO Cc1ccc(C[N@H+]2CCNC[C@@H](C)C2)c2ccccc12 ZINC001206269084 813264541 /nfs/dbraw/zinc/26/45/41/813264541.db2.gz AFUYRSCCIRRNEM-CQSZACIVSA-N 1 3 268.404 3.190 20 0 CGADHO Cc1ccc(C[N@@H+]2CCNC[C@@H](C)C2)c2ccccc12 ZINC001206269084 813264546 /nfs/dbraw/zinc/26/45/46/813264546.db2.gz AFUYRSCCIRRNEM-CQSZACIVSA-N 1 3 268.404 3.190 20 0 CGADHO COc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1C(C)C ZINC001206622823 813377649 /nfs/dbraw/zinc/37/76/49/813377649.db2.gz HELHIGBTQTWXKH-MRXNPFEDSA-N 1 3 290.451 3.379 20 0 CGADHO Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@@H](CN)C3)c21 ZINC001206624879 813378776 /nfs/dbraw/zinc/37/87/76/813378776.db2.gz ZKARIJSVGVBFSQ-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@@H](CN)C3)c21 ZINC001206624879 813378783 /nfs/dbraw/zinc/37/87/83/813378783.db2.gz ZKARIJSVGVBFSQ-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1cccc2[nH]cc(CN3CCCC[C@@H](C[NH3+])C3)c21 ZINC001206624879 813378792 /nfs/dbraw/zinc/37/87/92/813378792.db2.gz ZKARIJSVGVBFSQ-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767783 813430431 /nfs/dbraw/zinc/43/04/31/813430431.db2.gz FFPUDNWMJPQNJR-DOTOQJQBSA-N 1 3 290.451 3.425 20 0 CGADHO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(C)(C)CN(C)C ZINC001207283609 813534471 /nfs/dbraw/zinc/53/44/71/813534471.db2.gz ARZBZJFENWXTKZ-INIZCTEOSA-N 1 3 290.451 3.420 20 0 CGADHO COc1ccccc1[C@@H]1CCC[N@H+]1CC(C)(C)CN(C)C ZINC001207283609 813534475 /nfs/dbraw/zinc/53/44/75/813534475.db2.gz ARZBZJFENWXTKZ-INIZCTEOSA-N 1 3 290.451 3.420 20 0 CGADHO CCN(CCC1CC[NH+](C)CC1)Cc1ccccc1F ZINC001207486256 813572788 /nfs/dbraw/zinc/57/27/88/813572788.db2.gz FKUAZLHWBQNVFQ-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001207522241 813585851 /nfs/dbraw/zinc/58/58/51/813585851.db2.gz CBPJYPCCQMYWEN-OALUTQOASA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001207522241 813585857 /nfs/dbraw/zinc/58/58/57/813585857.db2.gz CBPJYPCCQMYWEN-OALUTQOASA-N 1 3 286.463 3.379 20 0 CGADHO CN(CCCc1cccc(Cl)c1)CCC[NH+](C)C ZINC001207584972 813602346 /nfs/dbraw/zinc/60/23/46/813602346.db2.gz OCSCMXAFEMSUDO-UHFFFAOYSA-N 1 3 268.832 3.156 20 0 CGADHO C(CN1CCCC1)[C@@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001207747502 813644994 /nfs/dbraw/zinc/64/49/94/813644994.db2.gz KYZSKDBIZQOQBQ-KRWDZBQOSA-N 1 3 296.524 3.470 20 0 CGADHO C(CN1CCCC1)[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207747502 813644996 /nfs/dbraw/zinc/64/49/96/813644996.db2.gz KYZSKDBIZQOQBQ-KRWDZBQOSA-N 1 3 296.524 3.470 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001207755377 813645900 /nfs/dbraw/zinc/64/59/00/813645900.db2.gz KYEJSPDDPWWBOD-DLBZAZTESA-N 1 3 296.524 3.468 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207755377 813645904 /nfs/dbraw/zinc/64/59/04/813645904.db2.gz KYEJSPDDPWWBOD-DLBZAZTESA-N 1 3 296.524 3.468 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001207836238 813657735 /nfs/dbraw/zinc/65/77/35/813657735.db2.gz HUKWPOWGGNCXIQ-VWNJHIHFSA-N 1 3 292.854 3.201 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC001207861657 813663627 /nfs/dbraw/zinc/66/36/27/813663627.db2.gz DABGNYXPBHUZOX-CVEARBPZSA-N 1 3 277.456 3.113 20 0 CGADHO Cc1ccc([C@@H](C)CCN2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC001208165614 813720401 /nfs/dbraw/zinc/72/04/01/813720401.db2.gz GMZVGAPXXAJALM-WMLDXEAASA-N 1 3 276.424 3.109 20 0 CGADHO Cc1ccc([C@@H](C)CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC001208165614 813720403 /nfs/dbraw/zinc/72/04/03/813720403.db2.gz GMZVGAPXXAJALM-WMLDXEAASA-N 1 3 276.424 3.109 20 0 CGADHO CC[NH+]1CCC(CN2CCc3cccc(Cl)c3C2)CC1 ZINC001208601956 813770849 /nfs/dbraw/zinc/77/08/49/813770849.db2.gz UPICXRMLGXYXAV-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO COc1ccc([C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208612715 813774708 /nfs/dbraw/zinc/77/47/08/813774708.db2.gz NIRREEZOKIXFTB-GJZGRUSLSA-N 1 3 276.424 3.030 20 0 CGADHO COc1ccc([C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612715 813774715 /nfs/dbraw/zinc/77/47/15/813774715.db2.gz NIRREEZOKIXFTB-GJZGRUSLSA-N 1 3 276.424 3.030 20 0 CGADHO CCCN(CCC[NH+](C)C)CCc1cc(F)cc(F)c1 ZINC001209132904 813945040 /nfs/dbraw/zinc/94/50/40/813945040.db2.gz KMTRKHZAVGKHDC-UHFFFAOYSA-N 1 3 284.394 3.171 20 0 CGADHO Cc1cccc2c(CN3CC4(C3)CC[NH+](C)CC4)c[nH]c21 ZINC001209493284 814060014 /nfs/dbraw/zinc/06/00/14/814060014.db2.gz JORZRQQNQWLWSP-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1ccc2[nH]cc(C[N@H+](C)CCCN3CCCC3)c2c1 ZINC001209496174 814062039 /nfs/dbraw/zinc/06/20/39/814062039.db2.gz CFOLCFHTUBNBKR-UHFFFAOYSA-N 1 3 285.435 3.394 20 0 CGADHO Cc1ccc2[nH]cc(C[N@@H+](C)CCCN3CCCC3)c2c1 ZINC001209496174 814062047 /nfs/dbraw/zinc/06/20/47/814062047.db2.gz CFOLCFHTUBNBKR-UHFFFAOYSA-N 1 3 285.435 3.394 20 0 CGADHO C[NH+]1C(C)(C)CC(Oc2cccc3c2CNC3)CC1(C)C ZINC001218316980 816164398 /nfs/dbraw/zinc/16/43/98/816164398.db2.gz KLISJFOZUYSHGN-UHFFFAOYSA-N 1 3 288.435 3.320 20 0 CGADHO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2ccccc2c1CN(C)C ZINC001218415424 816203426 /nfs/dbraw/zinc/20/34/26/816203426.db2.gz OMQXFMBJQPGCEY-KBXCAEBGSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222230736 816379546 /nfs/dbraw/zinc/37/95/46/816379546.db2.gz CQBLSYKDQVFNAT-AEFFLSMTSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]12CCCNC2 ZINC001222230736 816379552 /nfs/dbraw/zinc/37/95/52/816379552.db2.gz CQBLSYKDQVFNAT-AEFFLSMTSA-N 1 3 296.499 3.172 20 0 CGADHO c1ccc2c(c1)CC(CN1CCC3(CCCC[NH2+]3)CC1)C2 ZINC001222288068 816396840 /nfs/dbraw/zinc/39/68/40/816396840.db2.gz VTSOMHOMUKDHJY-UHFFFAOYSA-N 1 3 284.447 3.010 20 0 CGADHO COc1cc(C)ccc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222310870 816405030 /nfs/dbraw/zinc/40/50/30/816405030.db2.gz XEGWKOWLGWGNME-SFHVURJKSA-N 1 3 288.435 3.112 20 0 CGADHO CC1(C[N@@H+]2CC[C@@]3(C2)CCCCN3)CCCCC1 ZINC001222420418 816439710 /nfs/dbraw/zinc/43/97/10/816439710.db2.gz CSMMBNGNUFSOIC-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO CC1(C[N@H+]2CC[C@@]3(C2)CCCCN3)CCCCC1 ZINC001222420418 816439715 /nfs/dbraw/zinc/43/97/15/816439715.db2.gz CSMMBNGNUFSOIC-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452862 816448644 /nfs/dbraw/zinc/44/86/44/816448644.db2.gz MEFXUOOSWOAULW-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO Cc1cc(CN2CCC3(CCC[NH2+]C3)CC2)cc(F)c1F ZINC001222457922 816449501 /nfs/dbraw/zinc/44/95/01/816449501.db2.gz YUAZXIZYVLZFJD-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO C[NH2+]Cc1ccc(-c2cnccc2/C=C/N(C)C)cc1 ZINC001242993445 823201896 /nfs/dbraw/zinc/20/18/96/823201896.db2.gz CZTARDGGLCWMHU-PKNBQFBNSA-N 1 3 267.376 3.000 20 0 CGADHO CCC[N@H+](CC)Cc1cc(F)cc(CN(C)C)c1 ZINC001232145458 818264883 /nfs/dbraw/zinc/26/48/83/818264883.db2.gz UFOKXTXYYBSXHI-UHFFFAOYSA-N 1 3 252.377 3.119 20 0 CGADHO CCC[N@@H+](CC)Cc1cc(F)cc(CN(C)C)c1 ZINC001232145458 818264892 /nfs/dbraw/zinc/26/48/92/818264892.db2.gz UFOKXTXYYBSXHI-UHFFFAOYSA-N 1 3 252.377 3.119 20 0 CGADHO Clc1cccc(CCCN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234994895 818972907 /nfs/dbraw/zinc/97/29/07/818972907.db2.gz TYHRHOHRJTZJIM-KRWDZBQOSA-N 1 3 292.854 3.348 20 0 CGADHO CCc1cccc(C)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235001893 818974963 /nfs/dbraw/zinc/97/49/63/818974963.db2.gz WIHLRXHHSONOKX-GOSISDBHSA-N 1 3 272.436 3.133 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235042190 818988335 /nfs/dbraw/zinc/98/83/35/818988335.db2.gz VSSUNSIBJOJBJX-SFHVURJKSA-N 1 3 272.436 3.412 20 0 CGADHO Fc1ccc(CCC[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235189868 819029148 /nfs/dbraw/zinc/02/91/48/819029148.db2.gz GBLYOQRKXVXZFQ-UHFFFAOYSA-N 1 3 290.426 3.366 20 0 CGADHO Fc1ccc(CCC[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235189868 819029156 /nfs/dbraw/zinc/02/91/56/819029156.db2.gz GBLYOQRKXVXZFQ-UHFFFAOYSA-N 1 3 290.426 3.366 20 0 CGADHO [NH3+][C@H]1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2ccccc2)c1 ZINC001235256960 819053334 /nfs/dbraw/zinc/05/33/34/819053334.db2.gz VFAKIPKPNLEYRT-FHWLQOOXSA-N 1 3 278.399 3.275 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CNCC[C@@H]21 ZINC001235262435 819055919 /nfs/dbraw/zinc/05/59/19/819055919.db2.gz RDLGVXPWLXVOSD-XHSDSOJGSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CNCC[C@@H]21 ZINC001235262435 819055927 /nfs/dbraw/zinc/05/59/27/819055927.db2.gz RDLGVXPWLXVOSD-XHSDSOJGSA-N 1 3 250.430 3.053 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235273345 819058791 /nfs/dbraw/zinc/05/87/91/819058791.db2.gz RHVXDVXXHMQNTJ-VQIMIIECSA-N 1 3 280.415 3.332 20 0 CGADHO CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360807 819078038 /nfs/dbraw/zinc/07/80/38/819078038.db2.gz BYMNXEWGIZOIJV-RTBURBONSA-N 1 3 286.463 3.430 20 0 CGADHO CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360807 819078045 /nfs/dbraw/zinc/07/80/45/819078045.db2.gz BYMNXEWGIZOIJV-RTBURBONSA-N 1 3 286.463 3.430 20 0 CGADHO F[C@H]1CC[NH2+]C[C@]12CCN(Cc1cccc3ccccc31)C2 ZINC001235400430 819084222 /nfs/dbraw/zinc/08/42/22/819084222.db2.gz CXOVVLLSYMHSOZ-OALUTQOASA-N 1 3 298.405 3.363 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@H+](Cc1cccc3ccccc31)C2 ZINC001235400430 819084228 /nfs/dbraw/zinc/08/42/28/819084228.db2.gz CXOVVLLSYMHSOZ-OALUTQOASA-N 1 3 298.405 3.363 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400430 819084232 /nfs/dbraw/zinc/08/42/32/819084232.db2.gz CXOVVLLSYMHSOZ-OALUTQOASA-N 1 3 298.405 3.363 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235407560 819088267 /nfs/dbraw/zinc/08/82/67/819088267.db2.gz SMTCHYMUOGQDOG-ULQDDVLXSA-N 1 3 282.447 3.392 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235407560 819088275 /nfs/dbraw/zinc/08/82/75/819088275.db2.gz SMTCHYMUOGQDOG-ULQDDVLXSA-N 1 3 282.447 3.392 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccccc2OC(C)(C)C)CC1 ZINC001235678862 819138515 /nfs/dbraw/zinc/13/85/15/819138515.db2.gz GROFDRLCLDDETK-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1c(C)c(C)c(CN(C)C[C@H]2CC[NH2+]C2)c(C)c1C ZINC001235842834 819185104 /nfs/dbraw/zinc/18/51/04/819185104.db2.gz RVPBUGHUBHYIGG-KRWDZBQOSA-N 1 3 274.452 3.270 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@@H](N)CC[C@@H]1C ZINC001235907761 819217310 /nfs/dbraw/zinc/21/73/10/819217310.db2.gz UGXXNULOEPZCCJ-HOCLYGCPSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@@H](N)CC[C@@H]1C ZINC001235907761 819217316 /nfs/dbraw/zinc/21/73/16/819217316.db2.gz UGXXNULOEPZCCJ-HOCLYGCPSA-N 1 3 268.404 3.460 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235925253 819224135 /nfs/dbraw/zinc/22/41/35/819224135.db2.gz MZAQMFNHMAGXRH-VNQPRFMTSA-N 1 3 278.827 3.257 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235925253 819224141 /nfs/dbraw/zinc/22/41/41/819224141.db2.gz MZAQMFNHMAGXRH-VNQPRFMTSA-N 1 3 278.827 3.257 20 0 CGADHO Fc1cccc2c(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)cccc12 ZINC001235938620 819232287 /nfs/dbraw/zinc/23/22/87/819232287.db2.gz LOHLDMRDCINLPD-ZFWWWQNUSA-N 1 3 284.378 3.020 20 0 CGADHO c1csc(-c2ccc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)c1 ZINC001235935448 819232981 /nfs/dbraw/zinc/23/29/81/819232981.db2.gz DQDSDGWRJWOCSO-DLBZAZTESA-N 1 3 298.455 3.456 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981663 819258016 /nfs/dbraw/zinc/25/80/16/819258016.db2.gz XDNLBMSVAANFFI-LZQZEXGQSA-N 1 3 286.463 3.412 20 0 CGADHO c1c(CN2CC3(C2)CCCCC3)sc2c1CC[NH2+]C2 ZINC001235992758 819264240 /nfs/dbraw/zinc/26/42/40/819264240.db2.gz MBALQAQIBRGNHF-UHFFFAOYSA-N 1 3 276.449 3.160 20 0 CGADHO [NH3+]Cc1cccc(-c2cccc(CN3CCCCC3)c2F)n1 ZINC001236003833 819269070 /nfs/dbraw/zinc/26/90/70/819269070.db2.gz HBJYFIJRHUZREE-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO CC/C=C\CCCN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012456 819275154 /nfs/dbraw/zinc/27/51/54/819275154.db2.gz LOLHNSDSPDFBIJ-QVOQXLMASA-N 1 3 284.447 3.206 20 0 CGADHO C[NH2+]C[C@H]1CCN(Cc2c(C)sc3ccccc32)C1 ZINC001236067174 819298111 /nfs/dbraw/zinc/29/81/11/819298111.db2.gz MXNONKKPNKAGEE-CYBMUJFWSA-N 1 3 274.433 3.251 20 0 CGADHO C[NH2+]C[C@H]1CCN(Cc2ccccc2-c2ccccc2)C1 ZINC001236068869 819299279 /nfs/dbraw/zinc/29/92/79/819299279.db2.gz XXPHYRLKNLDXDX-MRXNPFEDSA-N 1 3 280.415 3.395 20 0 CGADHO C[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@@H]1N ZINC001236214594 819376233 /nfs/dbraw/zinc/37/62/33/819376233.db2.gz GKUVAYQVGORPIK-GJZGRUSLSA-N 1 3 276.355 3.274 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@@H]1N ZINC001236214594 819376240 /nfs/dbraw/zinc/37/62/40/819376240.db2.gz GKUVAYQVGORPIK-GJZGRUSLSA-N 1 3 276.355 3.274 20 0 CGADHO C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@@H]1N ZINC001236213752 819377209 /nfs/dbraw/zinc/37/72/09/819377209.db2.gz BFXLWBXRQMMMPV-ROUUACIJSA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@H]1CCCC[C@@H]1N ZINC001236213752 819377213 /nfs/dbraw/zinc/37/72/13/819377213.db2.gz BFXLWBXRQMMMPV-ROUUACIJSA-N 1 3 284.403 3.247 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236217371 819382302 /nfs/dbraw/zinc/38/23/02/819382302.db2.gz OQPZZYUGEBVWBN-DLBZAZTESA-N 1 3 290.451 3.322 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236217371 819382309 /nfs/dbraw/zinc/38/23/09/819382309.db2.gz OQPZZYUGEBVWBN-DLBZAZTESA-N 1 3 290.451 3.322 20 0 CGADHO [NH3+]Cc1ccnc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001236233630 819394964 /nfs/dbraw/zinc/39/49/64/819394964.db2.gz NTOPZXZEAFVBIP-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO CN(Cc1cccc(F)c1F)CC1CC2(C1)CC[NH2+]CC2 ZINC001236239072 819397859 /nfs/dbraw/zinc/39/78/59/819397859.db2.gz AMAYONVOGGCTMZ-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO CCN(CC[C@H]1CCC[NH2+]C1)Cc1cccc(F)c1F ZINC001236240768 819399297 /nfs/dbraw/zinc/39/92/97/819399297.db2.gz MKAGRMCUBFZBJA-CYBMUJFWSA-N 1 3 282.378 3.176 20 0 CGADHO CCN(Cc1cccc2sccc21)C[C@H]1CC[NH2+]C1 ZINC001236411705 819458794 /nfs/dbraw/zinc/45/87/94/819458794.db2.gz ONIATSYLGQZQNC-ZDUSSCGKSA-N 1 3 274.433 3.333 20 0 CGADHO c1cc2cccc(CN3CCN(c4cc[nH+]cc4)CC3)c2o1 ZINC001236733030 819583908 /nfs/dbraw/zinc/58/39/08/819583908.db2.gz NPVYAAMLHPIDLK-UHFFFAOYSA-N 1 3 293.370 3.150 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(F)c4ccccc34)C[C@@H]12 ZINC001236819840 819606618 /nfs/dbraw/zinc/60/66/18/819606618.db2.gz OLHWCTUEQIDSRR-MZMPZRCHSA-N 1 3 284.378 3.148 20 0 CGADHO CCCN(Cc1ccc(Cl)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236835967 819614765 /nfs/dbraw/zinc/61/47/65/819614765.db2.gz RIKQSZIVLMWBIJ-HNNXBMFYSA-N 1 3 280.843 3.470 20 0 CGADHO CCCN(Cc1cc(O)cc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236843200 819618475 /nfs/dbraw/zinc/61/84/75/819618475.db2.gz LPFMPBQTSFMIIE-HNNXBMFYSA-N 1 3 298.430 3.367 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC001236950859 819638371 /nfs/dbraw/zinc/63/83/71/819638371.db2.gz QKQFZSSOPMVUGY-MOPGFXCFSA-N 1 3 286.463 3.331 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC001236950859 819638374 /nfs/dbraw/zinc/63/83/74/819638374.db2.gz QKQFZSSOPMVUGY-MOPGFXCFSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@@H](N)C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266581 819712715 /nfs/dbraw/zinc/71/27/15/819712715.db2.gz XENPHOVFLYCWNC-HIFRSBDPSA-N 1 3 276.424 3.000 20 0 CGADHO C[C@@H](N)C[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266581 819712718 /nfs/dbraw/zinc/71/27/18/819712718.db2.gz XENPHOVFLYCWNC-HIFRSBDPSA-N 1 3 276.424 3.000 20 0 CGADHO Clc1ccc(CCCN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384370 819740709 /nfs/dbraw/zinc/74/07/09/819740709.db2.gz VVJWPQFCXFGDJL-RDJZCZTQSA-N 1 3 292.854 3.347 20 0 CGADHO CC(C)C1=NCCc2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)cc21 ZINC001237876678 819866303 /nfs/dbraw/zinc/86/63/03/819866303.db2.gz HCJDXKNHPKEREX-IYBDPMFKSA-N 1 3 268.404 3.140 20 0 CGADHO CC(C)C1=NCCc2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc21 ZINC001237876678 819866315 /nfs/dbraw/zinc/86/63/15/819866315.db2.gz HCJDXKNHPKEREX-IYBDPMFKSA-N 1 3 268.404 3.140 20 0 CGADHO CC[NH+](CC)Cc1ccc(-c2ccc(CN)nc2)cc1 ZINC001241580613 821966403 /nfs/dbraw/zinc/96/64/03/821966403.db2.gz IKKZGLUGKWSMND-UHFFFAOYSA-N 1 3 269.392 3.049 20 0 CGADHO Cc1cnc2ccccc2c1N(C)CC1([NH+](C)C)CCC1 ZINC001338592784 936328648 /nfs/dbraw/zinc/32/86/48/936328648.db2.gz YTOQVGCSPYWUTI-UHFFFAOYSA-N 1 3 283.419 3.464 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc(C)oc2C)C1 ZINC001343904700 936517880 /nfs/dbraw/zinc/51/78/80/936517880.db2.gz GRBQMWUIOVGCIG-HIFRSBDPSA-N 1 3 264.413 3.279 20 0 CGADHO COc1ccc(Cl)cc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC001348840562 936936432 /nfs/dbraw/zinc/93/64/32/936936432.db2.gz NJXCZUMQFIYGSU-GJZGRUSLSA-N 1 3 296.842 3.141 20 0 CGADHO CCC1([NH+](C)C)CCN(CCC2CCCC2)CC1 ZINC001460581859 937535527 /nfs/dbraw/zinc/53/55/27/937535527.db2.gz VVPAXQARKAAUGI-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC001462188298 937624093 /nfs/dbraw/zinc/62/40/93/937624093.db2.gz BWFSHEMWVGDFID-CHWSQXEVSA-N 1 3 280.378 3.427 20 0 CGADHO CCN(CC)CCC[N@H+](CC)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001462201006 937623146 /nfs/dbraw/zinc/62/31/46/937623146.db2.gz RWUNDDNZPHVLEC-MUJYYYPQSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001462201006 937623148 /nfs/dbraw/zinc/62/31/48/937623148.db2.gz RWUNDDNZPHVLEC-MUJYYYPQSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H]1C[N@H+](CC2(C)CCCC2)CCN1c1ccncc1 ZINC001462551626 937649794 /nfs/dbraw/zinc/64/97/94/937649794.db2.gz WTDBYIYNQYROCG-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]1C[N@@H+](CC2(C)CCCC2)CCN1c1ccncc1 ZINC001462551626 937649796 /nfs/dbraw/zinc/64/97/96/937649796.db2.gz WTDBYIYNQYROCG-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568260 933135404 /nfs/dbraw/zinc/13/54/04/933135404.db2.gz CPJUNJXYVBSCDV-DOTOQJQBSA-N 1 3 299.462 3.483 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568260 933135407 /nfs/dbraw/zinc/13/54/07/933135407.db2.gz CPJUNJXYVBSCDV-DOTOQJQBSA-N 1 3 299.462 3.483 20 0 CGADHO C[C@H]([NH2+]CCc1c(F)cccc1Cl)[C@@H]1CCCCN1 ZINC001325745423 934927229 /nfs/dbraw/zinc/92/72/29/934927229.db2.gz YSCKNHLYQZLTIN-NHYWBVRUSA-N 1 3 284.806 3.142 20 0 CGADHO COc1cccc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])oc21 ZINC001327416384 935058556 /nfs/dbraw/zinc/05/85/56/935058556.db2.gz RNDRVOAFDBWGPE-ZFWWWQNUSA-N 1 3 288.391 3.049 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC001333040122 935506311 /nfs/dbraw/zinc/50/63/11/935506311.db2.gz ICNPVKGGQVYURE-HNNXBMFYSA-N 1 3 288.439 3.052 20 0 CGADHO CSCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC001335534484 936151821 /nfs/dbraw/zinc/15/18/21/936151821.db2.gz WYBSXCPZCMYXNH-PBHICJAKSA-N 1 3 292.492 3.322 20 0 CGADHO CSCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC001335534484 936151822 /nfs/dbraw/zinc/15/18/22/936151822.db2.gz WYBSXCPZCMYXNH-PBHICJAKSA-N 1 3 292.492 3.322 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H](C)Cc1cccc(F)c1 ZINC001474612465 937870299 /nfs/dbraw/zinc/87/02/99/937870299.db2.gz IWLPFIKLMLJKCK-OAHLLOKOSA-N 1 3 280.431 3.324 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H](C)Cc1cccc(F)c1 ZINC001474612465 937870300 /nfs/dbraw/zinc/87/03/00/937870300.db2.gz IWLPFIKLMLJKCK-OAHLLOKOSA-N 1 3 280.431 3.324 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001474759802 937879243 /nfs/dbraw/zinc/87/92/43/937879243.db2.gz VRBVTAGTJWXUQC-HOTGVXAUSA-N 1 3 290.451 3.263 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238424 938178429 /nfs/dbraw/zinc/17/84/29/938178429.db2.gz SGYOFUFWBWOHPY-PQUAAJSLSA-N 1 3 294.483 3.188 20 0 CGADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC001551376934 938180348 /nfs/dbraw/zinc/18/03/48/938180348.db2.gz AEVPTQIFQLLPIT-JOQOYGCGSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551401213 938181693 /nfs/dbraw/zinc/18/16/93/938181693.db2.gz QYBVRWWKICVVOL-SEDQCKISSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](C[NH+]1CCN(c2ccncc2)CC1)CC(C)(C)C ZINC001559652172 938231711 /nfs/dbraw/zinc/23/17/11/938231711.db2.gz FFPQGQUWIBGGIA-HNNXBMFYSA-N 1 3 275.440 3.276 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001560065739 938243020 /nfs/dbraw/zinc/24/30/20/938243020.db2.gz XBYWZHSMHLOIAJ-RCCFBDPRSA-N 1 3 272.436 3.397 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC001560623351 938266446 /nfs/dbraw/zinc/26/64/46/938266446.db2.gz UYYLXGPGYPNGOX-AEGPPILISA-N 1 3 298.352 3.135 20 0 CGADHO CC[N@H+](CCCNC1CC(C)C1)C1CCCCC1 ZINC001560918628 938284006 /nfs/dbraw/zinc/28/40/06/938284006.db2.gz ALIBVBUHFYMYOO-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO CC[N@@H+](CCCNC1CC(C)C1)C1CCCCC1 ZINC001560918628 938284008 /nfs/dbraw/zinc/28/40/08/938284008.db2.gz ALIBVBUHFYMYOO-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+]C[C@H]2CN3CCC2CC3)C1 ZINC001561034099 938290668 /nfs/dbraw/zinc/29/06/68/938290668.db2.gz HFAMGBNILHNQOF-ZBFHGGJFSA-N 1 3 264.457 3.134 20 0 CGADHO CC(C)[NH+]1CCC(n2c3ccccc3nc2[C@@H](C)N)CC1 ZINC001257202035 960426089 /nfs/dbraw/zinc/42/60/89/960426089.db2.gz OWFJVKXDIMSJSL-CYBMUJFWSA-N 1 3 286.423 3.101 20 0 CGADHO [NH3+]CC1(CN[C@H]2CCc3ccc(Cl)cc32)CCC1 ZINC001580244386 960487991 /nfs/dbraw/zinc/48/79/91/960487991.db2.gz VXRPKRGUTHSWDT-AWEZNQCLSA-N 1 3 264.800 3.046 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCCN2)CS1 ZINC001575119410 962356513 /nfs/dbraw/zinc/35/65/13/962356513.db2.gz JLPDCCMMTNPXNH-MJBXVCDLSA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)(N)c1cc(C[N@@H+]2CCC[C@@H](C3CCCC3)C2)on1 ZINC001575365237 962363059 /nfs/dbraw/zinc/36/30/59/962363059.db2.gz GVVPZFKBUJJENT-CQSZACIVSA-N 1 3 291.439 3.271 20 0 CGADHO CC(C)(N)c1cc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)on1 ZINC001575365237 962363080 /nfs/dbraw/zinc/36/30/80/962363080.db2.gz GVVPZFKBUJJENT-CQSZACIVSA-N 1 3 291.439 3.271 20 0 CGADHO CC(C)([NH3+])c1cc(CN2CCC[C@@H](C3CCCC3)C2)on1 ZINC001575365237 962363090 /nfs/dbraw/zinc/36/30/90/962363090.db2.gz GVVPZFKBUJJENT-CQSZACIVSA-N 1 3 291.439 3.271 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 ZINC001576942271 962497754 /nfs/dbraw/zinc/49/77/54/962497754.db2.gz QJFFWFUMVUCDGJ-XSCHDIRWSA-N 1 3 252.446 3.179 20 0 CGADHO CCC(C)(C)CC[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001576941354 962502391 /nfs/dbraw/zinc/50/23/91/962502391.db2.gz FXWDOJZJXNVYSK-GDBMZVCRSA-N 1 3 252.446 3.264 20 0 CGADHO CCC(C)(C)CC[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001576941354 962502405 /nfs/dbraw/zinc/50/24/05/962502405.db2.gz FXWDOJZJXNVYSK-GDBMZVCRSA-N 1 3 252.446 3.264 20 0 CGADHO CCN(Cc1ccc(Cl)cc1)C[C@@H](C[NH3+])C(C)C ZINC001577737219 962564807 /nfs/dbraw/zinc/56/48/07/962564807.db2.gz XUWCCJVSVZSSRA-CQSZACIVSA-N 1 3 268.832 3.393 20 0 CGADHO CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN)C1CCCCC1 ZINC001578909326 962603709 /nfs/dbraw/zinc/60/37/09/962603709.db2.gz VDWMMNGMTNZCBY-HYVNUMGLSA-N 1 3 282.472 3.031 20 0 CGADHO CO[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CCN)C1CCCCC1 ZINC001578909326 962603720 /nfs/dbraw/zinc/60/37/20/962603720.db2.gz VDWMMNGMTNZCBY-HYVNUMGLSA-N 1 3 282.472 3.031 20 0 CGADHO COc1ccc(CN[C@H]2C[C@H]([NH3+])C23CCC3)c2ccccc12 ZINC001579216162 962612188 /nfs/dbraw/zinc/61/21/88/962612188.db2.gz FOPJQWGZNDAMOT-ROUUACIJSA-N 1 3 296.414 3.208 20 0 CGADHO COc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150391 962612360 /nfs/dbraw/zinc/61/23/60/962612360.db2.gz JBFMBFOEBVJVAC-CZUORRHYSA-N 1 3 284.403 3.018 20 0 CGADHO COc1cccc(CCC[N@@H+]2CCC[C@H](C)[C@@H]2CCN)c1 ZINC001579273895 962621344 /nfs/dbraw/zinc/62/13/44/962621344.db2.gz ILBCASUWOIAIBI-YJBOKZPZSA-N 1 3 290.451 3.077 20 0 CGADHO COc1cccc(CCC[N@H+]2CCC[C@H](C)[C@@H]2CCN)c1 ZINC001579273895 962621349 /nfs/dbraw/zinc/62/13/49/962621349.db2.gz ILBCASUWOIAIBI-YJBOKZPZSA-N 1 3 290.451 3.077 20 0 CGADHO Cc1cc(C)c(CN[C@@H](C[NH3+])C2CCCC2)c(C)c1 ZINC001579576503 962640388 /nfs/dbraw/zinc/64/03/88/962640388.db2.gz VHDOCZDHHQJBBJ-KRWDZBQOSA-N 1 3 260.425 3.219 20 0 CGADHO Cc1ccc(F)cc1CNCc1cccc2c1CC[NH2+]C2 ZINC001579708307 962654853 /nfs/dbraw/zinc/65/48/53/962654853.db2.gz LYANDRVELBLIPZ-UHFFFAOYSA-N 1 3 284.378 3.070 20 0 CGADHO Cc1oc2ccccc2c1CNC[C@H](C[NH3+])C(C)C ZINC001579927963 962678554 /nfs/dbraw/zinc/67/85/54/962678554.db2.gz BNYOYYVWSBMPRF-ZDUSSCGKSA-N 1 3 260.381 3.062 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2cncs2)CC1 ZINC000180791282 260111557 /nfs/dbraw/zinc/11/15/57/260111557.db2.gz MPHUEUMKPCIGOV-UHFFFAOYSA-N 1 3 295.496 3.477 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CCC12CCC2)C(C)C ZINC000337489106 214114933 /nfs/dbraw/zinc/11/49/33/214114933.db2.gz UZPIVKSEWQQQBU-OAHLLOKOSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H](c1cccs1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000124948893 187162456 /nfs/dbraw/zinc/16/24/56/187162456.db2.gz FXYIBUKMTAJNAC-STQMWFEESA-N 1 3 252.427 3.225 20 0 CGADHO C[C@@H](c1cccs1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124948893 187162457 /nfs/dbraw/zinc/16/24/57/187162457.db2.gz FXYIBUKMTAJNAC-STQMWFEESA-N 1 3 252.427 3.225 20 0 CGADHO CC[C@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449254708 529391570 /nfs/dbraw/zinc/39/15/70/529391570.db2.gz YCJHZLYGEUIWQN-CQSZACIVSA-N 1 3 284.488 3.026 20 0 CGADHO CC[C@H](CO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449254708 529391573 /nfs/dbraw/zinc/39/15/73/529391573.db2.gz YCJHZLYGEUIWQN-CQSZACIVSA-N 1 3 284.488 3.026 20 0 CGADHO CC[C@@H]1CN(CCC[NH2+]C)CC[C@H]1c1ccccc1 ZINC000435885862 529389900 /nfs/dbraw/zinc/38/99/00/529389900.db2.gz OXWIFBBFVZUOFG-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H]1C[N@H+](CCCNC)CC[C@H]1c1ccccc1 ZINC000435885862 529389903 /nfs/dbraw/zinc/38/99/03/529389903.db2.gz OXWIFBBFVZUOFG-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H]1C[N@@H+](CCCNC)CC[C@H]1c1ccccc1 ZINC000435885862 529389905 /nfs/dbraw/zinc/38/99/05/529389905.db2.gz OXWIFBBFVZUOFG-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO COC[C@H](CC(C)(C)C)NC1CC([NH+]2CCCCC2)C1 ZINC000651791406 398288661 /nfs/dbraw/zinc/28/86/61/398288661.db2.gz YOYJOYKYRHZHHT-PCKAHOCUSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H]1CS[C@H](C(C)C)C1 ZINC000651865631 398298895 /nfs/dbraw/zinc/29/88/95/398298895.db2.gz BFMGMMHWRXXZRA-GJZGRUSLSA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CS[C@H](C(C)C)C1 ZINC000651865631 398298896 /nfs/dbraw/zinc/29/88/96/398298896.db2.gz BFMGMMHWRXXZRA-GJZGRUSLSA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000651865631 398298898 /nfs/dbraw/zinc/29/88/98/398298898.db2.gz BFMGMMHWRXXZRA-GJZGRUSLSA-N 1 3 272.502 3.084 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)[C@H]1CCCOC1)C1CCCCC1 ZINC000651910577 398305659 /nfs/dbraw/zinc/30/56/59/398305659.db2.gz ZNQXOFAWDLULFD-IRXDYDNUSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)[C@H]1CCCOC1)C1CCCCC1 ZINC000651910577 398305662 /nfs/dbraw/zinc/30/56/62/398305662.db2.gz ZNQXOFAWDLULFD-IRXDYDNUSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@H+](CCCN[C@H](C)[C@H]1CCCOC1)C1CCCCC1 ZINC000651910578 398305669 /nfs/dbraw/zinc/30/56/69/398305669.db2.gz ZNQXOFAWDLULFD-SJORKVTESA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)[C@H]1CCCOC1)C1CCCCC1 ZINC000651910578 398305671 /nfs/dbraw/zinc/30/56/71/398305671.db2.gz ZNQXOFAWDLULFD-SJORKVTESA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000125703227 187196595 /nfs/dbraw/zinc/19/65/95/187196595.db2.gz ZAEGUQIOBXXSLI-UHFFFAOYSA-N 1 3 290.451 3.056 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418154 282187679 /nfs/dbraw/zinc/18/76/79/282187679.db2.gz RNGYBYSUWUXOTK-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418154 282187681 /nfs/dbraw/zinc/18/76/81/282187681.db2.gz RNGYBYSUWUXOTK-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418154 282187682 /nfs/dbraw/zinc/18/76/82/282187682.db2.gz RNGYBYSUWUXOTK-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459030 529568474 /nfs/dbraw/zinc/56/84/74/529568474.db2.gz HLRGSHYUQNVSNT-CMPLNLGQSA-N 1 3 288.407 3.432 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCC1 ZINC000449061004 529626412 /nfs/dbraw/zinc/62/64/12/529626412.db2.gz HDPLGSYFOQZMBZ-KRWDZBQOSA-N 1 3 260.425 3.417 20 0 CGADHO CN1CC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387470 349796247 /nfs/dbraw/zinc/79/62/47/349796247.db2.gz DVDVHWXRZYMMGJ-ZBFHGGJFSA-N 1 3 288.435 3.363 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC000126592834 187250305 /nfs/dbraw/zinc/25/03/05/187250305.db2.gz XKLNBCQTONYTJT-INIZCTEOSA-N 1 3 290.451 3.035 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CCO1 ZINC000423046633 282247460 /nfs/dbraw/zinc/24/74/60/282247460.db2.gz UHRQJKVZMRRZCS-VQHPVUNQSA-N 1 3 282.472 3.077 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623433101 349809050 /nfs/dbraw/zinc/80/90/50/349809050.db2.gz ZXPJPOKCAQPZQB-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623433101 349809051 /nfs/dbraw/zinc/80/90/51/349809051.db2.gz ZXPJPOKCAQPZQB-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO CCN(CC)CCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000351408251 219094288 /nfs/dbraw/zinc/09/42/88/219094288.db2.gz HBTHIDOWJBADCK-QGZVFWFLSA-N 1 3 282.472 3.142 20 0 CGADHO CCN(CC)CCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000351408251 219094290 /nfs/dbraw/zinc/09/42/90/219094290.db2.gz HBTHIDOWJBADCK-QGZVFWFLSA-N 1 3 282.472 3.142 20 0 CGADHO CC[NH+](CC)CCCN(C[C@H]1CCCO1)C1CCCC1 ZINC000351408251 219094293 /nfs/dbraw/zinc/09/42/93/219094293.db2.gz HBTHIDOWJBADCK-QGZVFWFLSA-N 1 3 282.472 3.142 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503344 349822416 /nfs/dbraw/zinc/82/24/16/349822416.db2.gz WBLWNHBCMQLQGB-RYUDHWBXSA-N 1 3 280.378 3.426 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503344 349822421 /nfs/dbraw/zinc/82/24/21/349822421.db2.gz WBLWNHBCMQLQGB-RYUDHWBXSA-N 1 3 280.378 3.426 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)ccc1Cl ZINC000623657726 349859126 /nfs/dbraw/zinc/85/91/26/349859126.db2.gz XOYIXJFLTOLGBB-HNNXBMFYSA-N 1 3 280.843 3.470 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623655030 349857056 /nfs/dbraw/zinc/85/70/56/349857056.db2.gz MLYMSPRZCSEQOJ-KRWDZBQOSA-N 1 3 290.451 3.297 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000623656937 349857812 /nfs/dbraw/zinc/85/78/12/349857812.db2.gz GCJKPGNOZYTPKX-DQOPKJQZSA-N 1 3 276.399 3.160 20 0 CGADHO C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCCCO1 ZINC000623855682 349897274 /nfs/dbraw/zinc/89/72/74/349897274.db2.gz FQYLFOWJZRKZQX-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCCO1 ZINC000623855682 349897276 /nfs/dbraw/zinc/89/72/76/349897276.db2.gz FQYLFOWJZRKZQX-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)c1cc2c(s1)CCCC2 ZINC000423267830 529985850 /nfs/dbraw/zinc/98/58/50/529985850.db2.gz FJFMOLIZPWPSDK-VXGBXAGGSA-N 1 3 266.454 3.133 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000423282722 529999639 /nfs/dbraw/zinc/99/96/39/529999639.db2.gz WUNIJRHTLPEBTI-WFASDCNBSA-N 1 3 268.832 3.482 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(C)oc2C)CC1 ZINC000044517655 345012063 /nfs/dbraw/zinc/01/20/63/345012063.db2.gz LTZDLSATGATEFF-ZDUSSCGKSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC(CC[NH3+])CC1 ZINC000070183560 345388540 /nfs/dbraw/zinc/38/85/40/345388540.db2.gz JVKVCFFTRJKFKL-LLVKDONJSA-N 1 3 268.351 3.087 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC(CC[NH3+])CC1 ZINC000070183559 345388796 /nfs/dbraw/zinc/38/87/96/345388796.db2.gz JVKVCFFTRJKFKL-NSHDSACASA-N 1 3 268.351 3.087 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091283082 345809815 /nfs/dbraw/zinc/80/98/15/345809815.db2.gz ZENZODPKXGXWDW-GOSISDBHSA-N 1 3 289.467 3.489 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091305989 345810491 /nfs/dbraw/zinc/81/04/91/345810491.db2.gz KUMIYBWLRBKRKV-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000089551721 345770663 /nfs/dbraw/zinc/77/06/63/345770663.db2.gz JKAWDKWAWCKRCJ-RLFYNMQTSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000089551749 345771062 /nfs/dbraw/zinc/77/10/62/345771062.db2.gz QRMYRMPJEMNXMS-RLFYNMQTSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000089609074 345771816 /nfs/dbraw/zinc/77/18/16/345771816.db2.gz FCNYOUWMOYZOPY-PMPSAXMXSA-N 1 3 252.446 3.133 20 0 CGADHO CCC[N@H+](Cc1ccnc2ccccc12)C1CCNCC1 ZINC000092349402 345836758 /nfs/dbraw/zinc/83/67/58/345836758.db2.gz HDMXRFCZAVTHCZ-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCC[N@@H+](Cc1ccnc2ccccc12)C1CCNCC1 ZINC000092349402 345836760 /nfs/dbraw/zinc/83/67/60/345836760.db2.gz HDMXRFCZAVTHCZ-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCCN(Cc1ccnc2ccccc12)C1CC[NH2+]CC1 ZINC000092349402 345836761 /nfs/dbraw/zinc/83/67/61/345836761.db2.gz HDMXRFCZAVTHCZ-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093213608 345872582 /nfs/dbraw/zinc/87/25/82/345872582.db2.gz QXYWRHIFFAOJQS-GUTXKFCHSA-N 1 3 276.424 3.461 20 0 CGADHO Cc1ccc(C)c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000112120342 345952797 /nfs/dbraw/zinc/95/27/97/345952797.db2.gz PQQBCVQVTFAGQS-UHFFFAOYSA-N 1 3 281.403 3.021 20 0 CGADHO C(C[N@@H+]1CC[C@]2(C1)CCCNC2)C1CCCCC1 ZINC000257730611 346400733 /nfs/dbraw/zinc/40/07/33/346400733.db2.gz XBDATCPDJIRGMS-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO C(C[N@H+]1CC[C@]2(C1)CCCNC2)C1CCCCC1 ZINC000257730611 346400736 /nfs/dbraw/zinc/40/07/36/346400736.db2.gz XBDATCPDJIRGMS-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccnc2ccccc21 ZINC000311898657 346475551 /nfs/dbraw/zinc/47/55/51/346475551.db2.gz FJSXBKUDWNNHNE-CYBMUJFWSA-N 1 3 257.381 3.375 20 0 CGADHO CC(C)[N@H+](C)C[C@@H](C)Nc1ccnc2ccccc21 ZINC000311898657 346475553 /nfs/dbraw/zinc/47/55/53/346475553.db2.gz FJSXBKUDWNNHNE-CYBMUJFWSA-N 1 3 257.381 3.375 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000584840243 346717962 /nfs/dbraw/zinc/71/79/62/346717962.db2.gz ROQSGDJFHDPWQT-FZKQIMNGSA-N 1 3 266.388 3.483 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCCCC1 ZINC000423051390 282507781 /nfs/dbraw/zinc/50/77/81/282507781.db2.gz NZWRXRDJARWECS-HUUCEWRRSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624119917 349976644 /nfs/dbraw/zinc/97/66/44/349976644.db2.gz MEVJADJTFQFDHT-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCCCC1 ZINC000624120242 349977577 /nfs/dbraw/zinc/97/75/77/349977577.db2.gz UTDWASASFYAJHW-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccsc1 ZINC000624121373 349978789 /nfs/dbraw/zinc/97/87/89/349978789.db2.gz UVYPJTMTQROROV-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120985 349978862 /nfs/dbraw/zinc/97/88/62/349978862.db2.gz LGUIHJUJKZGMNS-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120985 349978864 /nfs/dbraw/zinc/97/88/64/349978864.db2.gz LGUIHJUJKZGMNS-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121425 349978035 /nfs/dbraw/zinc/97/80/35/349978035.db2.gz WFZRTXMMEXLGCI-HOTGVXAUSA-N 1 3 252.446 3.443 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(C)n1 ZINC000624122428 349981393 /nfs/dbraw/zinc/98/13/93/349981393.db2.gz RCSULRSJUXAAET-HOCLYGCPSA-N 1 3 275.440 3.081 20 0 CGADHO C[C@H]1CN(CCCC[NH2+][C@@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000189094840 290843994 /nfs/dbraw/zinc/84/39/94/290843994.db2.gz JKIFDTIKWMFLKF-YESZJQIVSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122741 349981905 /nfs/dbraw/zinc/98/19/05/349981905.db2.gz ZULFXRYUESZALC-RYUDHWBXSA-N 1 3 266.351 3.039 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123503 349982314 /nfs/dbraw/zinc/98/23/14/349982314.db2.gz NGPXTNISSIOAME-FZKCQIBNSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H](NCCCC[NH+](C)C)c1nc2c(s1)CCCC2 ZINC000357780536 233002066 /nfs/dbraw/zinc/00/20/66/233002066.db2.gz WOULTTVXLDKKAQ-LBPRGKRZSA-N 1 3 281.469 3.014 20 0 CGADHO c1nc(C2CC2)c(CNCCCCC[NH+]2CCCC2)s1 ZINC000339500130 215211575 /nfs/dbraw/zinc/21/15/75/215211575.db2.gz NNTCOEIFSMONQQ-UHFFFAOYSA-N 1 3 293.480 3.376 20 0 CGADHO C[C@@H](F)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014683 219290658 /nfs/dbraw/zinc/29/06/58/219290658.db2.gz NUQFSGUKRJGAAK-WBVHZDCISA-N 1 3 278.415 3.188 20 0 CGADHO C[C@@H](F)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014683 219290660 /nfs/dbraw/zinc/29/06/60/219290660.db2.gz NUQFSGUKRJGAAK-WBVHZDCISA-N 1 3 278.415 3.188 20 0 CGADHO CC[N@H+](CCCCF)Cc1ccc(CN(C)C)cc1 ZINC000626062783 350254917 /nfs/dbraw/zinc/25/49/17/350254917.db2.gz GNQIJDDVIUMCGJ-UHFFFAOYSA-N 1 3 266.404 3.320 20 0 CGADHO CC[N@@H+](CCCCF)Cc1ccc(CN(C)C)cc1 ZINC000626062783 350254919 /nfs/dbraw/zinc/25/49/19/350254919.db2.gz GNQIJDDVIUMCGJ-UHFFFAOYSA-N 1 3 266.404 3.320 20 0 CGADHO c1nc(C2CC2)oc1CNCCCCC[NH+]1CCCCC1 ZINC000628212270 350442469 /nfs/dbraw/zinc/44/24/69/350442469.db2.gz DSXKYJRNKBRRMG-UHFFFAOYSA-N 1 3 291.439 3.298 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)Cc1ccccc1 ZINC000628425376 350535865 /nfs/dbraw/zinc/53/58/65/350535865.db2.gz IYOAVKWDZRCRAM-AEFFLSMTSA-N 1 3 274.452 3.187 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000629531621 350703802 /nfs/dbraw/zinc/70/38/02/350703802.db2.gz RMNBUSNSKPFFOX-QAETUUGQSA-N 1 3 282.472 3.077 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629535129 350704629 /nfs/dbraw/zinc/70/46/29/350704629.db2.gz BPXOKQGUFLPKPI-NYTXWWLZSA-N 1 3 258.409 3.273 20 0 CGADHO Cc1ccccc1C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000629536865 350705743 /nfs/dbraw/zinc/70/57/43/350705743.db2.gz GRSVUFJKTCXSOE-OLMNPRSZSA-N 1 3 272.436 3.046 20 0 CGADHO C[C@]1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H]2C[C@H]2C1 ZINC000629537059 350705996 /nfs/dbraw/zinc/70/59/96/350705996.db2.gz JOOYBLJBHSPHGT-FVTGEYKSSA-N 1 3 256.393 3.157 20 0 CGADHO C[C@H](NCCOCCC[NH3+])c1cccc(-c2ccccc2)c1 ZINC000629541571 350707711 /nfs/dbraw/zinc/70/77/11/350707711.db2.gz QXATYTITXVHLQO-INIZCTEOSA-N 1 3 298.430 3.370 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629549870 350711054 /nfs/dbraw/zinc/71/10/54/350711054.db2.gz JBCWIIHQSXIUQN-RYUDHWBXSA-N 1 3 278.362 3.216 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556650 350713224 /nfs/dbraw/zinc/71/32/24/350713224.db2.gz WMJBYAAQDYRUOC-ABAIWWIYSA-N 1 3 291.826 3.081 20 0 CGADHO CCc1nc(C(C)C)ccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000629511637 350699243 /nfs/dbraw/zinc/69/92/43/350699243.db2.gz LKILFMLHWGNGHW-AWEZNQCLSA-N 1 3 289.467 3.327 20 0 CGADHO CN(C)Cc1ccc(F)c(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC000629736193 350757970 /nfs/dbraw/zinc/75/79/70/350757970.db2.gz DWZXIHOSIOOFAG-UHFFFAOYSA-N 1 3 284.378 3.200 20 0 CGADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000631651526 351106004 /nfs/dbraw/zinc/10/60/04/351106004.db2.gz KTUCEEDWIFCKCS-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)[C@H](C)O1 ZINC000631699275 351121820 /nfs/dbraw/zinc/12/18/20/351121820.db2.gz DHVIADRUDVBHNI-UXDQUXDASA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)[C@H](C)O1 ZINC000631699275 351121823 /nfs/dbraw/zinc/12/18/23/351121823.db2.gz DHVIADRUDVBHNI-UXDQUXDASA-N 1 3 294.483 3.185 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@H]2CCC[C@H]21 ZINC000631807712 351145729 /nfs/dbraw/zinc/14/57/29/351145729.db2.gz NYJUISCWKPKEOM-BPQIPLTHSA-N 1 3 283.419 3.130 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@H]2CCC[C@H]21 ZINC000631807712 351145732 /nfs/dbraw/zinc/14/57/32/351145732.db2.gz NYJUISCWKPKEOM-BPQIPLTHSA-N 1 3 283.419 3.130 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2ccnc3ccccc23)C1 ZINC000634732861 351578520 /nfs/dbraw/zinc/57/85/20/351578520.db2.gz QOSJBJSMWOUSJJ-HNNXBMFYSA-N 1 3 283.419 3.103 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733791 351579803 /nfs/dbraw/zinc/57/98/03/351579803.db2.gz OCQDEDLHEGYUGP-UKRRQHHQSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733791 351579807 /nfs/dbraw/zinc/57/98/07/351579807.db2.gz OCQDEDLHEGYUGP-UKRRQHHQSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCNCC(C)(C)C1)c1ccccc1 ZINC000634734014 351579956 /nfs/dbraw/zinc/57/99/56/351579956.db2.gz URVWBTNPJQBLTM-HOCLYGCPSA-N 1 3 260.425 3.158 20 0 CGADHO CCC(C)(C)CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000635024486 351633624 /nfs/dbraw/zinc/63/36/24/351633624.db2.gz YWDZOVOTRSQKSU-GFCCVEGCSA-N 1 3 263.429 3.326 20 0 CGADHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635006306 351624649 /nfs/dbraw/zinc/62/46/49/351624649.db2.gz LJYYYOMDCGYLGA-WQCNXYOZSA-N 1 3 299.462 3.096 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CCCC12CCC2)Cc1ccccc1 ZINC000635009134 351627575 /nfs/dbraw/zinc/62/75/75/351627575.db2.gz TXXTULFZSNMRJU-SJORKVTESA-N 1 3 272.436 3.259 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1OCCN(C)C ZINC000122283840 187024637 /nfs/dbraw/zinc/02/46/37/187024637.db2.gz ZYNIYPWUHMGJBO-LSDHHAIUSA-N 1 3 278.440 3.151 20 0 CGADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000271564711 191213929 /nfs/dbraw/zinc/21/39/29/191213929.db2.gz OWIHJGXUKSEZRT-AWEZNQCLSA-N 1 3 275.440 3.304 20 0 CGADHO Cc1cccc([C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141278 198179752 /nfs/dbraw/zinc/17/97/52/198179752.db2.gz MKSCYZVNZXWXSH-WBVHZDCISA-N 1 3 258.409 3.084 20 0 CGADHO Cc1cccc([C@@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141278 198179755 /nfs/dbraw/zinc/17/97/55/198179755.db2.gz MKSCYZVNZXWXSH-WBVHZDCISA-N 1 3 258.409 3.084 20 0 CGADHO C[C@H](NCc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152940330 188054372 /nfs/dbraw/zinc/05/43/72/188054372.db2.gz PSZIQBWUVRTGSV-INIZCTEOSA-N 1 3 298.430 3.478 20 0 CGADHO c1ccc(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157130125 188298988 /nfs/dbraw/zinc/29/89/88/188298988.db2.gz RVSTXRGNEYPVOT-GOSISDBHSA-N 1 3 272.436 3.179 20 0 CGADHO Fc1ccc2c(c1)[C@@H](N1CCC([C@@H]3CC[NH2+]C3)CC1)CC2 ZINC000357089548 283001299 /nfs/dbraw/zinc/00/12/99/283001299.db2.gz QCYIXISCSBNCIP-QAPCUYQASA-N 1 3 288.410 3.135 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(Cl)s1 ZINC000271894418 191395274 /nfs/dbraw/zinc/39/52/74/191395274.db2.gz SXHBYOIXCGZJRC-JTQLQIEISA-N 1 3 270.829 3.314 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)s1 ZINC000271894418 191395276 /nfs/dbraw/zinc/39/52/76/191395276.db2.gz SXHBYOIXCGZJRC-JTQLQIEISA-N 1 3 270.829 3.314 20 0 CGADHO Cc1cc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c(C)o1 ZINC000414176016 235354267 /nfs/dbraw/zinc/35/42/67/235354267.db2.gz IUTSQUAMPHBAEQ-ZFWWWQNUSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176016 235354270 /nfs/dbraw/zinc/35/42/70/235354270.db2.gz IUTSQUAMPHBAEQ-ZFWWWQNUSA-N 1 3 264.413 3.279 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287720 138343719 /nfs/dbraw/zinc/34/37/19/138343719.db2.gz AYFNRPQKKFQDLL-MAUKXSAKSA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287720 138343720 /nfs/dbraw/zinc/34/37/20/138343720.db2.gz AYFNRPQKKFQDLL-MAUKXSAKSA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287720 138343721 /nfs/dbraw/zinc/34/37/21/138343721.db2.gz AYFNRPQKKFQDLL-MAUKXSAKSA-N 1 3 290.451 3.324 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccccc1F ZINC000093495901 138345980 /nfs/dbraw/zinc/34/59/80/138345980.db2.gz SQLWZMNQBXBWMJ-ZBFHGGJFSA-N 1 3 278.415 3.269 20 0 CGADHO Cc1cc(NCC[C@@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000110793598 138363532 /nfs/dbraw/zinc/36/35/32/138363532.db2.gz NNCUEELSIJEZDT-AWEZNQCLSA-N 1 3 269.392 3.345 20 0 CGADHO C[C@H](CCN(C)C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129450591 138397461 /nfs/dbraw/zinc/39/74/61/138397461.db2.gz VPKLAUHUUZRXGS-SNVBAGLBSA-N 1 3 292.320 3.274 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccc(Cl)c1Cl ZINC000422951381 235948516 /nfs/dbraw/zinc/94/85/16/235948516.db2.gz YJYQZMKUVZLRRE-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccc(Cl)c1Cl ZINC000422951381 235948517 /nfs/dbraw/zinc/94/85/17/235948517.db2.gz YJYQZMKUVZLRRE-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423106954 235974936 /nfs/dbraw/zinc/97/49/36/235974936.db2.gz RWLUTQMFRAGAFW-YFHUEUNASA-N 1 3 272.436 3.348 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])c2ccccc12 ZINC000423226878 236002283 /nfs/dbraw/zinc/00/22/83/236002283.db2.gz SQNOCKFWDZUHEQ-QWHCGFSZSA-N 1 3 272.392 3.236 20 0 CGADHO Cc1cc2cc([C@@H](C)[NH2+][C@H](CN)C3CC3)oc2cc1C ZINC000423279602 236021026 /nfs/dbraw/zinc/02/10/26/236021026.db2.gz RPXBQGKFZMWZSH-IUODEOHRSA-N 1 3 272.392 3.438 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423354483 236048605 /nfs/dbraw/zinc/04/86/05/236048605.db2.gz GHIHFXKOIRFWFW-BBWFWOEESA-N 1 3 287.451 3.148 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423364423 236051669 /nfs/dbraw/zinc/05/16/69/236051669.db2.gz AQHJLXXKVSBCOO-IAOVAPTHSA-N 1 3 298.434 3.101 20 0 CGADHO c1ccc(C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C2CC2)cc1 ZINC000423398923 236063038 /nfs/dbraw/zinc/06/30/38/236063038.db2.gz UJBLTUFGFMOGKS-HXUWFJFHSA-N 1 3 292.426 3.401 20 0 CGADHO c1cc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc2c1CNC2 ZINC000423406098 236065693 /nfs/dbraw/zinc/06/56/93/236065693.db2.gz YMRNKVISXHUCAX-QAPCUYQASA-N 1 3 270.420 3.348 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1csc(Cl)c1 ZINC000423452092 236074049 /nfs/dbraw/zinc/07/40/49/236074049.db2.gz YQJWFTGGFSPXEL-TVYUQYBPSA-N 1 3 284.856 3.440 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000423463301 236076528 /nfs/dbraw/zinc/07/65/28/236076528.db2.gz FLXZEXQNSMAXOV-SRVKXCTJSA-N 1 3 268.351 3.133 20 0 CGADHO Cc1ncc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000423511959 236090714 /nfs/dbraw/zinc/09/07/14/236090714.db2.gz UEWWTDFRZWKGFU-KSSFIOAISA-N 1 3 298.434 3.224 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423531067 236093334 /nfs/dbraw/zinc/09/33/34/236093334.db2.gz QCLPXKMUPQCGJG-DLBZAZTESA-N 1 3 258.409 3.089 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000424328755 236150400 /nfs/dbraw/zinc/15/04/00/236150400.db2.gz FRPLOCHLKFZTHV-CHWSQXEVSA-N 1 3 272.314 3.065 20 0 CGADHO Fc1ccc([C@H]2C[C@H]([NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000297545510 200224036 /nfs/dbraw/zinc/22/40/36/200224036.db2.gz YXUBZSYQMZYZSX-CZIWCDLHSA-N 1 3 288.410 3.288 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000423284004 283543059 /nfs/dbraw/zinc/54/30/59/283543059.db2.gz XXBYQZWUHCFBPH-PBHICJAKSA-N 1 3 260.425 3.281 20 0 CGADHO Cc1cccc(C)c1OCCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000177887776 189076688 /nfs/dbraw/zinc/07/66/88/189076688.db2.gz WSTREONORZGMRT-BBWFWOEESA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cccc(C)c1OCCN[C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000177887776 189076689 /nfs/dbraw/zinc/07/66/89/189076689.db2.gz WSTREONORZGMRT-BBWFWOEESA-N 1 3 290.451 3.001 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+]CC3(N)CCC3)ccc2c1 ZINC000342135823 216234633 /nfs/dbraw/zinc/23/46/33/216234633.db2.gz QISXRKTWUNNXCZ-ZDUSSCGKSA-N 1 3 284.403 3.380 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccco1 ZINC000120619695 370785744 /nfs/dbraw/zinc/78/57/44/370785744.db2.gz NXKUMNXDHZDJKI-CQSZACIVSA-N 1 3 250.386 3.024 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccco1 ZINC000120619695 370785746 /nfs/dbraw/zinc/78/57/46/370785746.db2.gz NXKUMNXDHZDJKI-CQSZACIVSA-N 1 3 250.386 3.024 20 0 CGADHO C[C@@H](C[NH2+]C1CC(C(C)(C)C)C1)CN1CCCC1 ZINC000459392815 242097564 /nfs/dbraw/zinc/09/75/64/242097564.db2.gz QIYSFNHBSPLOIV-NFOMZHRRSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCCF)CC1 ZINC000462821377 242365991 /nfs/dbraw/zinc/36/59/91/242365991.db2.gz XZOMZUHYSQMZSF-GOEBONIOSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCCF)CC1 ZINC000462821377 242365994 /nfs/dbraw/zinc/36/59/94/242365994.db2.gz XZOMZUHYSQMZSF-GOEBONIOSA-N 1 3 270.436 3.369 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477925350 243060428 /nfs/dbraw/zinc/06/04/28/243060428.db2.gz UNDLTAVUABAZKV-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccccc1 ZINC000477919267 243060966 /nfs/dbraw/zinc/06/09/66/243060966.db2.gz XGJLZGXMOVKXGW-OAHLLOKOSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(O)c1 ZINC000194959466 296117783 /nfs/dbraw/zinc/11/77/83/296117783.db2.gz NLNBCYGAPOUXSW-CQSZACIVSA-N 1 3 276.424 3.165 20 0 CGADHO CCCc1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000479452007 243104933 /nfs/dbraw/zinc/10/49/33/243104933.db2.gz HXLQEDILXIHIDP-PBHICJAKSA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000479452007 243104937 /nfs/dbraw/zinc/10/49/37/243104937.db2.gz HXLQEDILXIHIDP-PBHICJAKSA-N 1 3 260.425 3.211 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000247028835 296121930 /nfs/dbraw/zinc/12/19/30/296121930.db2.gz NJQRSIYISDTIKA-QLFBSQMISA-N 1 3 296.480 3.288 20 0 CGADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000482550647 243232256 /nfs/dbraw/zinc/23/22/56/243232256.db2.gz JTDGWTGASHBWQU-OAHLLOKOSA-N 1 3 292.467 3.194 20 0 CGADHO CC(C)C1CC([NH2+]Cc2ccccc2OCCN(C)C)C1 ZINC000488416218 243553663 /nfs/dbraw/zinc/55/36/63/243553663.db2.gz QFJNXBWQUZRSDA-UHFFFAOYSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CC(C)(C)C1 ZINC000021013440 368810161 /nfs/dbraw/zinc/81/01/61/368810161.db2.gz BYMJCTFYRHDLPO-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000032181735 368929269 /nfs/dbraw/zinc/92/92/69/368929269.db2.gz NORPBYZOXAMNJV-INIZCTEOSA-N 1 3 298.430 3.478 20 0 CGADHO Fc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997015 369048428 /nfs/dbraw/zinc/04/84/28/369048428.db2.gz YOQSSEMILQAWDN-VKYMVXLJSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997015 369048430 /nfs/dbraw/zinc/04/84/30/369048430.db2.gz YOQSSEMILQAWDN-VKYMVXLJSA-N 1 3 288.410 3.288 20 0 CGADHO Cc1cc(C)c(C[NH2+]CCCN2CCCC2)cc1C ZINC000035015771 368989801 /nfs/dbraw/zinc/98/98/01/368989801.db2.gz GWSGRCBUXCEVHY-UHFFFAOYSA-N 1 3 260.425 3.187 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000037118211 369062910 /nfs/dbraw/zinc/06/29/10/369062910.db2.gz AALHHZSPUWLIQP-NSHDSACASA-N 1 3 284.350 3.033 20 0 CGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000037374104 369083461 /nfs/dbraw/zinc/08/34/61/369083461.db2.gz RNFWCCBMNGYIQC-OAHLLOKOSA-N 1 3 281.403 3.401 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000037643639 369093490 /nfs/dbraw/zinc/09/34/90/369093490.db2.gz MLADNOLBOGJIRM-QBPKDAKJSA-N 1 3 266.473 3.379 20 0 CGADHO Fc1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649455 369098315 /nfs/dbraw/zinc/09/83/15/369098315.db2.gz HNBCBJLQKUYZEC-UGSOOPFHSA-N 1 3 288.410 3.351 20 0 CGADHO Fc1ccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649455 369098321 /nfs/dbraw/zinc/09/83/21/369098321.db2.gz HNBCBJLQKUYZEC-UGSOOPFHSA-N 1 3 288.410 3.351 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1ccc(Cl)cc1Cl ZINC000037714855 369100300 /nfs/dbraw/zinc/10/03/00/369100300.db2.gz QMONUKJCLIQOBW-SECBINFHSA-N 1 3 261.196 3.383 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1(C)CC1 ZINC000037901160 369123977 /nfs/dbraw/zinc/12/39/77/369123977.db2.gz LQVUNYIPCMZJEJ-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](NCCC[N@H+](C)C1CCCCC1)C1(C)CC1 ZINC000037901160 369123981 /nfs/dbraw/zinc/12/39/81/369123981.db2.gz LQVUNYIPCMZJEJ-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](NCCC[N@@H+](C)C1CCCCC1)C1(C)CC1 ZINC000037901160 369123986 /nfs/dbraw/zinc/12/39/86/369123986.db2.gz LQVUNYIPCMZJEJ-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](C[NH2+]CC1CCCCC1)CN1CCCCC1 ZINC000037997586 369136346 /nfs/dbraw/zinc/13/63/46/369136346.db2.gz UYZOACXWXJPBCU-HNNXBMFYSA-N 1 3 252.446 3.278 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CC2CCN(C)CC2)s1 ZINC000044515239 369263598 /nfs/dbraw/zinc/26/35/98/369263598.db2.gz CPYQKILIUYIXKW-GFCCVEGCSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)o1 ZINC000044729594 369269232 /nfs/dbraw/zinc/26/92/32/369269232.db2.gz RNOLJSCSZQICPY-PRTUASRFSA-N 1 3 262.397 3.172 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326251 189772504 /nfs/dbraw/zinc/77/25/04/189772504.db2.gz RQPDGZXEVMJUKI-STQMWFEESA-N 1 3 266.816 3.462 20 0 CGADHO CC1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000128037263 370958796 /nfs/dbraw/zinc/95/87/96/370958796.db2.gz AJFZMBOWHDINTN-SSHXOBKSSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000128988095 370970478 /nfs/dbraw/zinc/97/04/78/370970478.db2.gz XUDAELKEWDJOKT-INMHGKMJSA-N 1 3 290.451 3.292 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)CN1CCCC1 ZINC000062077521 369618077 /nfs/dbraw/zinc/61/80/77/369618077.db2.gz CRZPMTRMYSAXLZ-CVEARBPZSA-N 1 3 290.451 3.035 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000072858629 369841804 /nfs/dbraw/zinc/84/18/04/369841804.db2.gz INAJCEFGJFFQMN-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000072858629 369841808 /nfs/dbraw/zinc/84/18/08/369841808.db2.gz INAJCEFGJFFQMN-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO C[C@H]1C[C@@H](NCc2csc3ccccc23)CC[N@@H+]1C ZINC000090721152 370066519 /nfs/dbraw/zinc/06/65/19/370066519.db2.gz QFRBMBZTQITXHO-JSGCOSHPSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@@H](NCc2csc3ccccc23)CC[N@H+]1C ZINC000090721152 370066522 /nfs/dbraw/zinc/06/65/22/370066522.db2.gz QFRBMBZTQITXHO-JSGCOSHPSA-N 1 3 274.433 3.474 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638626 370151642 /nfs/dbraw/zinc/15/16/42/370151642.db2.gz FSBLQJZRGGVIOG-WBMJQRKESA-N 1 3 282.378 3.127 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638626 370151646 /nfs/dbraw/zinc/15/16/46/370151646.db2.gz FSBLQJZRGGVIOG-WBMJQRKESA-N 1 3 282.378 3.127 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770488 370158698 /nfs/dbraw/zinc/15/86/98/370158698.db2.gz KIDYJRZNVDYFBV-QGZVFWFLSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770488 370158701 /nfs/dbraw/zinc/15/87/01/370158701.db2.gz KIDYJRZNVDYFBV-QGZVFWFLSA-N 1 3 260.425 3.077 20 0 CGADHO CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000513714084 245094343 /nfs/dbraw/zinc/09/43/43/245094343.db2.gz XZPOWRDCUZAAMA-FGTMMUONSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580893 370993718 /nfs/dbraw/zinc/99/37/18/370993718.db2.gz PMPWWEDNFZUPIF-HUBLWGQQSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000129580893 370993721 /nfs/dbraw/zinc/99/37/21/370993721.db2.gz PMPWWEDNFZUPIF-HUBLWGQQSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H]1CCC[C@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000130158233 371015617 /nfs/dbraw/zinc/01/56/17/371015617.db2.gz WSISFNRAPCUERZ-ZBFHGGJFSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000131544939 371115081 /nfs/dbraw/zinc/11/50/81/371115081.db2.gz AATZSIBHEJZWPU-WOPDTQHZSA-N 1 3 284.350 3.018 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000132049266 371148946 /nfs/dbraw/zinc/14/89/46/371148946.db2.gz KZRLNTNVBGOFLB-RBSFLKMASA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132100956 371151331 /nfs/dbraw/zinc/15/13/31/371151331.db2.gz NNCLJLSSXSOUOA-NVXWUHKLSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132100956 371151334 /nfs/dbraw/zinc/15/13/34/371151334.db2.gz NNCLJLSSXSOUOA-NVXWUHKLSA-N 1 3 260.425 3.363 20 0 CGADHO CCc1nc2c(s1)[C@H]([NH2+]CC(C)(C)CN(C)C)CCC2 ZINC000132139016 371155104 /nfs/dbraw/zinc/15/51/04/371155104.db2.gz MOQQEFJKPDFCTN-GFCCVEGCSA-N 1 3 295.496 3.260 20 0 CGADHO CN(CCC[NH3+])C1c2ccccc2-c2ccccc21 ZINC000133740843 371275643 /nfs/dbraw/zinc/27/56/43/371275643.db2.gz QOBDAFLJHNWTDJ-UHFFFAOYSA-N 1 3 252.361 3.037 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1occc1C ZINC000135121800 371391351 /nfs/dbraw/zinc/39/13/51/371391351.db2.gz GYLHDZMZFRFLLG-CQSZACIVSA-N 1 3 252.402 3.188 20 0 CGADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150754943 371536159 /nfs/dbraw/zinc/53/61/59/371536159.db2.gz TWYVEEJXPSWMMB-JKSUJKDBSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150754943 371536165 /nfs/dbraw/zinc/53/61/65/371536165.db2.gz TWYVEEJXPSWMMB-JKSUJKDBSA-N 1 3 258.409 3.165 20 0 CGADHO CSC[C@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000150975510 371553021 /nfs/dbraw/zinc/55/30/21/371553021.db2.gz PDISZRWGXCTFJT-UONOGXRCSA-N 1 3 296.480 3.029 20 0 CGADHO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000150975423 371553073 /nfs/dbraw/zinc/55/30/73/371553073.db2.gz PDISZRWGXCTFJT-KBPBESRZSA-N 1 3 296.480 3.029 20 0 CGADHO CC(C)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000151769740 371632764 /nfs/dbraw/zinc/63/27/64/371632764.db2.gz GXNCGPNXQGEUAP-HNNXBMFYSA-N 1 3 278.440 3.324 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CCCC1 ZINC000421824431 371647196 /nfs/dbraw/zinc/64/71/96/371647196.db2.gz IPIAPZXMNPKAAW-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](NCCC[NH+](C)C)c1ccc(OC)cc1 ZINC000151911926 371651935 /nfs/dbraw/zinc/65/19/35/371651935.db2.gz XQKMNHYUEJGIRM-INIZCTEOSA-N 1 3 264.413 3.078 20 0 CGADHO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000152154393 371680080 /nfs/dbraw/zinc/68/00/80/371680080.db2.gz IJEJMGASQANENU-KBPBESRZSA-N 1 3 264.413 3.076 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703717 371760310 /nfs/dbraw/zinc/76/03/10/371760310.db2.gz NWOSZXNCMIKQRN-SJLPKXTDSA-N 1 3 274.452 3.377 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422717737 371766462 /nfs/dbraw/zinc/76/64/62/371766462.db2.gz PATIYPSMIDAVFZ-LVQVYYBASA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)(C)c1csc(CC[NH2+][C@H]2CCCC[C@H]2CN)n1 ZINC000422745054 371780048 /nfs/dbraw/zinc/78/00/48/371780048.db2.gz ULTJRJYFCOBEPR-STQMWFEESA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1csc(CCN[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422745054 371780055 /nfs/dbraw/zinc/78/00/55/371780055.db2.gz ULTJRJYFCOBEPR-STQMWFEESA-N 1 3 295.496 3.090 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000422755305 371787137 /nfs/dbraw/zinc/78/71/37/371787137.db2.gz GQDNPYAZYPEATA-VNHYZAJKSA-N 1 3 275.440 3.326 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000422755954 371787597 /nfs/dbraw/zinc/78/75/97/371787597.db2.gz IHQAJMDQMCYKOO-AVGNSLFASA-N 1 3 252.427 3.095 20 0 CGADHO Cc1ccccc1[C@@H](N[C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422835403 371833384 /nfs/dbraw/zinc/83/33/84/371833384.db2.gz ISHKTCZCWOWVJE-XJKSGUPXSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000422835403 371833385 /nfs/dbraw/zinc/83/33/85/371833385.db2.gz ISHKTCZCWOWVJE-XJKSGUPXSA-N 1 3 260.425 3.280 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422768010 371794896 /nfs/dbraw/zinc/79/48/96/371794896.db2.gz NMHQXCPTXNFHNS-BBRMVZONSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422768010 371794899 /nfs/dbraw/zinc/79/48/99/371794899.db2.gz NMHQXCPTXNFHNS-BBRMVZONSA-N 1 3 292.854 3.349 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccs2)CCCCC1 ZINC000422775015 371798752 /nfs/dbraw/zinc/79/87/52/371798752.db2.gz ZKTYDBHYTDYADJ-ZIAGYGMSSA-N 1 3 278.465 3.419 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422778682 371800793 /nfs/dbraw/zinc/80/07/93/371800793.db2.gz HWXUZBSNVVKSKQ-RDBSUJKOSA-N 1 3 264.413 3.252 20 0 CGADHO Cc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000422815745 371827596 /nfs/dbraw/zinc/82/75/96/371827596.db2.gz YHFJWNUJNLGKRY-WFFDWFOESA-N 1 3 270.420 3.319 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccc(-c2ccccc2)c1 ZINC000422883415 371852869 /nfs/dbraw/zinc/85/28/69/371852869.db2.gz BYVXOSHGKFIKRX-MOPGFXCFSA-N 1 3 280.415 3.366 20 0 CGADHO CCCCOc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422893771 371857082 /nfs/dbraw/zinc/85/70/82/371857082.db2.gz RGBZJWUBXKRBQL-KBPBESRZSA-N 1 3 264.413 3.081 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cc2ccccc2s1 ZINC000422900511 371861451 /nfs/dbraw/zinc/86/14/51/371861451.db2.gz JLQGCOPLUOZFJL-WFASDCNBSA-N 1 3 274.433 3.379 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C/c1ccc(F)cc1)C2 ZINC000289969562 371864918 /nfs/dbraw/zinc/86/49/18/371864918.db2.gz ZHROOSAYSOFNTD-JAHQTHFBSA-N 1 3 288.410 3.396 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C/c1ccc(F)cc1)C2 ZINC000289969562 371864923 /nfs/dbraw/zinc/86/49/23/371864923.db2.gz ZHROOSAYSOFNTD-JAHQTHFBSA-N 1 3 288.410 3.396 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]2N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422920674 371869514 /nfs/dbraw/zinc/86/95/14/371869514.db2.gz MOWNCBWWCIZDGW-NNIGNNQHSA-N 1 3 284.447 3.128 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422931206 371877233 /nfs/dbraw/zinc/87/72/33/371877233.db2.gz AZZITCYRJZFMQU-SJLPKXTDSA-N 1 3 268.404 3.099 20 0 CGADHO Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422933068 371877861 /nfs/dbraw/zinc/87/78/61/371877861.db2.gz BDWPPAHJKHRNIZ-QZTJIDSGSA-N 1 3 296.414 3.417 20 0 CGADHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]C1 ZINC000422932972 371878053 /nfs/dbraw/zinc/87/80/53/371878053.db2.gz BACLATJETLJFHW-IYOUNJFTSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1csc2ccccc12 ZINC000422936015 371880295 /nfs/dbraw/zinc/88/02/95/371880295.db2.gz LSRYTZGCOOAXNL-RYUDHWBXSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1csc2ccccc12 ZINC000422936015 371880303 /nfs/dbraw/zinc/88/03/03/371880303.db2.gz LSRYTZGCOOAXNL-RYUDHWBXSA-N 1 3 262.422 3.159 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937329 371881784 /nfs/dbraw/zinc/88/17/84/371881784.db2.gz JMJAWVCSWJGHGV-MOPGFXCFSA-N 1 3 296.414 3.235 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422941639 371883536 /nfs/dbraw/zinc/88/35/36/371883536.db2.gz VFBXKHCHNXMDSC-QJPTWQEYSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422941639 371883538 /nfs/dbraw/zinc/88/35/38/371883538.db2.gz VFBXKHCHNXMDSC-QJPTWQEYSA-N 1 3 288.357 3.352 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1F ZINC000422852816 371840058 /nfs/dbraw/zinc/84/00/58/371840058.db2.gz REIJAMSZBSHISB-CZUORRHYSA-N 1 3 278.415 3.210 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000423051351 371935825 /nfs/dbraw/zinc/93/58/25/371935825.db2.gz NTCILTDTABNFIA-DNVCBOLYSA-N 1 3 295.430 3.226 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000423053743 371937553 /nfs/dbraw/zinc/93/75/53/371937553.db2.gz SJQUAERWSXSKEJ-CABCVRRESA-N 1 3 278.465 3.207 20 0 CGADHO C[C@H](CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC(C)(C)C ZINC000423059091 371939862 /nfs/dbraw/zinc/93/98/62/371939862.db2.gz LAXLCRUDPRPZMP-WCXIOVBPSA-N 1 3 296.499 3.196 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422958727 371893762 /nfs/dbraw/zinc/89/37/62/371893762.db2.gz YXMPXYFFUUPWGO-IUODEOHRSA-N 1 3 284.806 3.129 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422974723 371897919 /nfs/dbraw/zinc/89/79/19/371897919.db2.gz ABQYYTKBERCLJS-KSZLIROESA-N 1 3 272.436 3.048 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Nc1ccccc1 ZINC000422979219 371899540 /nfs/dbraw/zinc/89/95/40/371899540.db2.gz MAFGQFQUNNRAPM-JQHSSLGASA-N 1 3 289.467 3.101 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)Nc1ccccc1 ZINC000422979219 371899545 /nfs/dbraw/zinc/89/95/45/371899545.db2.gz MAFGQFQUNNRAPM-JQHSSLGASA-N 1 3 289.467 3.101 20 0 CGADHO Cc1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422984018 371902244 /nfs/dbraw/zinc/90/22/44/371902244.db2.gz WHIPTSQYTKMUJP-ZWKOTPCHSA-N 1 3 266.388 3.272 20 0 CGADHO CC(C)[C@H]1C[C@@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000422987805 371903577 /nfs/dbraw/zinc/90/35/77/371903577.db2.gz JGJNBMXUVWBKKJ-LTIDMASMSA-N 1 3 282.472 3.090 20 0 CGADHO CC[C@@H]([NH2+]C1CCNCC1)c1ccc(OC(F)F)cc1 ZINC000422991896 371906570 /nfs/dbraw/zinc/90/65/70/371906570.db2.gz QJVKCAHIXAUUGB-CQSZACIVSA-N 1 3 284.350 3.081 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422997396 371908024 /nfs/dbraw/zinc/90/80/24/371908024.db2.gz OAUHPQQUNLKWDN-MUQADHOPSA-N 1 3 290.451 3.400 20 0 CGADHO CCOCCC1(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423002957 371909770 /nfs/dbraw/zinc/90/97/70/371909770.db2.gz KIHXPMUYUCRKSX-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423000616 371910644 /nfs/dbraw/zinc/91/06/44/371910644.db2.gz GUHKPIBTIWQGCH-DZGCQCFKSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@@H]2CCNCC[C@@H]2C)c(C)c1 ZINC000423007660 371912868 /nfs/dbraw/zinc/91/28/68/371912868.db2.gz YFGPUHWRZKKMES-KBXCAEBGSA-N 1 3 274.452 3.132 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000423025910 371922162 /nfs/dbraw/zinc/92/21/62/371922162.db2.gz PLVJZYRQIYEMSX-CXAGYDPISA-N 1 3 287.382 3.027 20 0 CGADHO CS[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423027843 371924958 /nfs/dbraw/zinc/92/49/58/371924958.db2.gz FEAOVHJSBPNRKN-RBSFLKMASA-N 1 3 278.465 3.499 20 0 CGADHO CS[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C(C)(C)C ZINC000423027843 371924964 /nfs/dbraw/zinc/92/49/64/371924964.db2.gz FEAOVHJSBPNRKN-RBSFLKMASA-N 1 3 278.465 3.499 20 0 CGADHO Cc1cnc([C@H](C)CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000423032976 371926160 /nfs/dbraw/zinc/92/61/60/371926160.db2.gz FWEOECTZJKOPJY-NFAWXSAZSA-N 1 3 295.496 3.455 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423050598 371933145 /nfs/dbraw/zinc/93/31/45/371933145.db2.gz MOHIOLCYRAXHLR-QANKJYHBSA-N 1 3 272.436 3.144 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423050598 371933147 /nfs/dbraw/zinc/93/31/47/371933147.db2.gz MOHIOLCYRAXHLR-QANKJYHBSA-N 1 3 272.436 3.144 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1C[NH2+]C1 ZINC000423092060 371957965 /nfs/dbraw/zinc/95/79/65/371957965.db2.gz AHZKPJNODMMHDX-IXPVHAAZSA-N 1 3 298.352 3.149 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CNC1 ZINC000423092060 371957974 /nfs/dbraw/zinc/95/79/74/371957974.db2.gz AHZKPJNODMMHDX-IXPVHAAZSA-N 1 3 298.352 3.149 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423099849 371963050 /nfs/dbraw/zinc/96/30/50/371963050.db2.gz UJTGUKSQQXRDOV-SDADXPQNSA-N 1 3 278.827 3.303 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1C[NH2+]C1 ZINC000423101288 371966042 /nfs/dbraw/zinc/96/60/42/371966042.db2.gz VVOZUGORILRLMM-IXPVHAAZSA-N 1 3 298.352 3.149 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CNC1 ZINC000423101288 371966048 /nfs/dbraw/zinc/96/60/48/371966048.db2.gz VVOZUGORILRLMM-IXPVHAAZSA-N 1 3 298.352 3.149 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423104258 371967122 /nfs/dbraw/zinc/96/71/22/371967122.db2.gz YDAVRYBDNZVUJX-WNOSKKOXSA-N 1 3 276.399 3.049 20 0 CGADHO Cc1ccsc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000290342352 371968293 /nfs/dbraw/zinc/96/82/93/371968293.db2.gz FMMNUMFLZPTKRY-OAHLLOKOSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1ccsc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000290342352 371968300 /nfs/dbraw/zinc/96/83/00/371968300.db2.gz FMMNUMFLZPTKRY-OAHLLOKOSA-N 1 3 278.465 3.220 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353134 371970524 /nfs/dbraw/zinc/97/05/24/371970524.db2.gz GETOCYGKABTDJD-QAPCUYQASA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353134 371970531 /nfs/dbraw/zinc/97/05/31/371970531.db2.gz GETOCYGKABTDJD-QAPCUYQASA-N 1 3 283.419 3.084 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122408 371977444 /nfs/dbraw/zinc/97/74/44/371977444.db2.gz KPUSOMDRFRECSP-BRSBDYLESA-N 1 3 288.435 3.156 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122411 371977462 /nfs/dbraw/zinc/97/74/62/371977462.db2.gz KPUSOMDRFRECSP-VSZNYVQBSA-N 1 3 288.435 3.156 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000423125642 371979505 /nfs/dbraw/zinc/97/95/05/371979505.db2.gz NPYZFYLEJOKQGN-YTPFDHIKSA-N 1 3 290.373 3.228 20 0 CGADHO c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000423126872 371980859 /nfs/dbraw/zinc/98/08/59/371980859.db2.gz JFGLPYMULOLFCJ-WFFDWFOESA-N 1 3 270.420 3.053 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2C[NH2+]C2CCNCC2)cc1 ZINC000423155810 371993860 /nfs/dbraw/zinc/99/38/60/371993860.db2.gz LTDJTLRBDWZPBC-SJLPKXTDSA-N 1 3 272.436 3.302 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N2CCC[C@]3(CCSC3)C2)c2ccccc21 ZINC000423168194 371999330 /nfs/dbraw/zinc/99/93/30/371999330.db2.gz XOQMNSFIUOSGHF-ZACQAIPSSA-N 1 3 288.460 3.350 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423075940 371949399 /nfs/dbraw/zinc/94/93/99/371949399.db2.gz PRPFASGLDFEBAF-NVXWUHKLSA-N 1 3 275.440 3.116 20 0 CGADHO CCCNc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000423075940 371949403 /nfs/dbraw/zinc/94/94/03/371949403.db2.gz PRPFASGLDFEBAF-NVXWUHKLSA-N 1 3 275.440 3.116 20 0 CGADHO Fc1ccc([C@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423084231 371954199 /nfs/dbraw/zinc/95/41/99/371954199.db2.gz HCUCGHPQJSTGKH-FRYFRDGCSA-N 1 3 288.410 3.334 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000423090098 371956332 /nfs/dbraw/zinc/95/63/32/371956332.db2.gz WVNQQFGYDCAVEP-CSMYWGQOSA-N 1 3 276.399 3.181 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)c1cccs1 ZINC000423200728 372024658 /nfs/dbraw/zinc/02/46/58/372024658.db2.gz MYVCFSQFBCEPAM-GFCCVEGCSA-N 1 3 252.427 3.450 20 0 CGADHO CNCCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423201461 372025516 /nfs/dbraw/zinc/02/55/16/372025516.db2.gz OUQZCFMRUXMQFB-ZBFHGGJFSA-N 1 3 294.414 3.060 20 0 CGADHO C[NH2+]CCCN[C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423201461 372025518 /nfs/dbraw/zinc/02/55/18/372025518.db2.gz OUQZCFMRUXMQFB-ZBFHGGJFSA-N 1 3 294.414 3.060 20 0 CGADHO NC1(C[NH2+][C@H]2CCc3ccccc3OC2)CCCCCC1 ZINC000423202846 372026581 /nfs/dbraw/zinc/02/65/81/372026581.db2.gz RLGYLFKARZXBTO-INIZCTEOSA-N 1 3 288.435 3.022 20 0 CGADHO CCO[C@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C1(C)C ZINC000344156636 217078952 /nfs/dbraw/zinc/07/89/52/217078952.db2.gz AQASNUTYXJPWML-CVEARBPZSA-N 1 3 284.488 3.289 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccccc2)C1 ZINC000290665159 372036017 /nfs/dbraw/zinc/03/60/17/372036017.db2.gz ZXVORFREIFDGQP-CGNNYBMUSA-N 1 3 270.420 3.116 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccccc2)C1 ZINC000290665159 372036023 /nfs/dbraw/zinc/03/60/23/372036023.db2.gz ZXVORFREIFDGQP-CGNNYBMUSA-N 1 3 270.420 3.116 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000423217402 372036568 /nfs/dbraw/zinc/03/65/68/372036568.db2.gz UBGNHNQMXSVCFI-RYQLBKOJSA-N 1 3 272.436 3.302 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000423217403 372036749 /nfs/dbraw/zinc/03/67/49/372036749.db2.gz UBGNHNQMXSVCFI-SZMVWBNQSA-N 1 3 272.436 3.302 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423220170 372038094 /nfs/dbraw/zinc/03/80/94/372038094.db2.gz XQKJPKASKCWBPG-WFFDWFOESA-N 1 3 272.436 3.126 20 0 CGADHO Cc1cc(C)c([C@H](C)NC[C@H]2CCC[NH2+]C2)cc1C ZINC000423218408 372038611 /nfs/dbraw/zinc/03/86/11/372038611.db2.gz VJTVHUMPWYELCJ-HOTGVXAUSA-N 1 3 260.425 3.262 20 0 CGADHO [NH3+]C[C@H](N[C@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269599 372045921 /nfs/dbraw/zinc/04/59/21/372045921.db2.gz VXBHQOFVZYCTRV-IRXDYDNUSA-N 1 3 258.409 3.171 20 0 CGADHO CCO[C@H]1C[C@@H](NCC([NH3+])(CC)CC)C1(CC)CC ZINC000423287508 372047986 /nfs/dbraw/zinc/04/79/86/372047986.db2.gz MRTZXZBBPPZHLL-KGLIPLIRSA-N 1 3 270.461 3.077 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310706 372050317 /nfs/dbraw/zinc/05/03/17/372050317.db2.gz AUXASQXUJSQIMD-MLGOLLRUSA-N 1 3 260.425 3.372 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000158106481 372051722 /nfs/dbraw/zinc/05/17/22/372051722.db2.gz VFASIYSHAFSELD-QWQRMKEZSA-N 1 3 290.426 3.381 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158106481 372051729 /nfs/dbraw/zinc/05/17/29/372051729.db2.gz VFASIYSHAFSELD-QWQRMKEZSA-N 1 3 290.426 3.381 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCCC1 ZINC000423346777 372053328 /nfs/dbraw/zinc/05/33/28/372053328.db2.gz QFNIADPFHYTRPU-CVEARBPZSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CCN1 ZINC000423372376 372055314 /nfs/dbraw/zinc/05/53/14/372055314.db2.gz GDMSMXHYBNLFPU-MWQQHZPXSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H](c3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423372376 372055319 /nfs/dbraw/zinc/05/53/19/372055319.db2.gz GDMSMXHYBNLFPU-MWQQHZPXSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376262 372055465 /nfs/dbraw/zinc/05/54/65/372055465.db2.gz LAPVGZRRLCQOLZ-YCPHGPKFSA-N 1 3 260.425 3.083 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376262 372055469 /nfs/dbraw/zinc/05/54/69/372055469.db2.gz LAPVGZRRLCQOLZ-YCPHGPKFSA-N 1 3 260.425 3.083 20 0 CGADHO C[C@H](CC1CC1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362952 372056341 /nfs/dbraw/zinc/05/63/41/372056341.db2.gz IOMCQZFVZUFBPW-HYSWKAIVSA-N 1 3 294.389 3.189 20 0 CGADHO [NH3+]CCCN[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423178020 372007010 /nfs/dbraw/zinc/00/70/10/372007010.db2.gz BLNTUCPKMZAKKO-QGZVFWFLSA-N 1 3 272.367 3.048 20 0 CGADHO C[C@H](NCCC[NH3+])[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000423182685 372010812 /nfs/dbraw/zinc/01/08/12/372010812.db2.gz GSYZLNQXXCIZKY-UWVGGRQHSA-N 1 3 291.222 3.088 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423457105 372065323 /nfs/dbraw/zinc/06/53/23/372065323.db2.gz FJBJXSMSLQVEKR-VCBZYWHSSA-N 1 3 298.430 3.304 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)C1 ZINC000424361717 372084193 /nfs/dbraw/zinc/08/41/93/372084193.db2.gz YANDEOOHYCNYDO-DMHIMHRUSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)Oc1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430909765 372403833 /nfs/dbraw/zinc/40/38/33/372403833.db2.gz BVDWITPCZNUIJO-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO FC(F)(F)c1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430914226 372404973 /nfs/dbraw/zinc/40/49/73/372404973.db2.gz IMAQHQLEFMHKEM-UHFFFAOYSA-N 1 3 298.352 3.281 20 0 CGADHO CC(C)[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CC1 ZINC000162594409 372405138 /nfs/dbraw/zinc/40/51/38/372405138.db2.gz YWZVIALBYPUMFT-GOSISDBHSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377426 372572201 /nfs/dbraw/zinc/57/22/01/372572201.db2.gz QQDWQEPOKLSAGF-YQQAZPJKSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377426 372572206 /nfs/dbraw/zinc/57/22/06/372572206.db2.gz QQDWQEPOKLSAGF-YQQAZPJKSA-N 1 3 298.434 3.006 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294195156 372608924 /nfs/dbraw/zinc/60/89/24/372608924.db2.gz LJMLUBDYOJNJTK-IBGZPJMESA-N 1 3 293.414 3.328 20 0 CGADHO Cc1ccc([C@@]2(C)CCN(CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000434747966 372706617 /nfs/dbraw/zinc/70/66/17/372706617.db2.gz NUINQESVNFBSSQ-OALUTQOASA-N 1 3 286.463 3.443 20 0 CGADHO Cc1ccc([C@@]2(C)CCN(CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747966 372706624 /nfs/dbraw/zinc/70/66/24/372706624.db2.gz NUINQESVNFBSSQ-OALUTQOASA-N 1 3 286.463 3.443 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353462810 220098202 /nfs/dbraw/zinc/09/82/02/220098202.db2.gz PIAHMSWPJKOFRC-USXIJHARSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353462810 220098204 /nfs/dbraw/zinc/09/82/04/220098204.db2.gz PIAHMSWPJKOFRC-USXIJHARSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1F ZINC000353462810 220098206 /nfs/dbraw/zinc/09/82/06/220098206.db2.gz PIAHMSWPJKOFRC-USXIJHARSA-N 1 3 276.399 3.097 20 0 CGADHO c1ccc(OCCCC[NH2+]CCCN2CCCCC2)cc1 ZINC000438078619 372870186 /nfs/dbraw/zinc/87/01/86/372870186.db2.gz VZXAAOBSSGPJEE-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000353503317 220123446 /nfs/dbraw/zinc/12/34/46/220123446.db2.gz OKMWYKUYPIVRPB-YTQUADARSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000353503317 220123448 /nfs/dbraw/zinc/12/34/48/220123448.db2.gz OKMWYKUYPIVRPB-YTQUADARSA-N 1 3 295.430 3.197 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000353503317 220123451 /nfs/dbraw/zinc/12/34/51/220123451.db2.gz OKMWYKUYPIVRPB-YTQUADARSA-N 1 3 295.430 3.197 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCc1ccc2ccccc2c1 ZINC000442759978 373072502 /nfs/dbraw/zinc/07/25/02/373072502.db2.gz MMTBBPCMXAAPBK-GDBMZVCRSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759978 373072510 /nfs/dbraw/zinc/07/25/10/373072510.db2.gz MMTBBPCMXAAPBK-GDBMZVCRSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1ccc2ccccc2c1 ZINC000442759978 373072520 /nfs/dbraw/zinc/07/25/20/373072520.db2.gz MMTBBPCMXAAPBK-GDBMZVCRSA-N 1 3 268.404 3.051 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442889761 373122063 /nfs/dbraw/zinc/12/20/63/373122063.db2.gz LMHGUMJKWDHALX-IAGOWNOFSA-N 1 3 297.531 3.063 20 0 CGADHO Cc1cc(CN2CCC[C@@H](CC[NH3+])C2)ccc1Cl ZINC000442922802 373127974 /nfs/dbraw/zinc/12/79/74/373127974.db2.gz LAVNUOAMLPKDHM-ZDUSSCGKSA-N 1 3 266.816 3.209 20 0 CGADHO C[C@@H]1CN(CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC000444616211 373212744 /nfs/dbraw/zinc/21/27/44/373212744.db2.gz CDSIVJGJCRBGQA-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3cccnc32)[C@H](C)C1 ZINC000174770160 373363074 /nfs/dbraw/zinc/36/30/74/373363074.db2.gz LNWMEUINKOFWQO-QAPCUYQASA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3cccnc32)[C@H](C)C1 ZINC000174770160 373363080 /nfs/dbraw/zinc/36/30/80/373363080.db2.gz LNWMEUINKOFWQO-QAPCUYQASA-N 1 3 297.446 3.397 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724167 373475385 /nfs/dbraw/zinc/47/53/85/373475385.db2.gz UIQIHGDWKZYYTG-NVXWUHKLSA-N 1 3 290.451 3.308 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000447724167 373475396 /nfs/dbraw/zinc/47/53/96/373475396.db2.gz UIQIHGDWKZYYTG-NVXWUHKLSA-N 1 3 290.451 3.308 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000300077404 373618937 /nfs/dbraw/zinc/61/89/37/373618937.db2.gz BKYNULORSDDYQH-XIRDDKMYSA-N 1 3 264.457 3.300 20 0 CGADHO CC(C)(O)C(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449727474 373854830 /nfs/dbraw/zinc/85/48/30/373854830.db2.gz PZQMTZYYAJVWEE-UHFFFAOYSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)(O)C(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449727474 373854835 /nfs/dbraw/zinc/85/48/35/373854835.db2.gz PZQMTZYYAJVWEE-UHFFFAOYSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305099807 374068596 /nfs/dbraw/zinc/06/85/96/374068596.db2.gz AQXVUUZBKWMEED-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305099807 374068602 /nfs/dbraw/zinc/06/86/02/374068602.db2.gz AQXVUUZBKWMEED-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO CCc1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccn1 ZINC000450342858 374069824 /nfs/dbraw/zinc/06/98/24/374069824.db2.gz BKVKDYRDMQWDMT-UHFFFAOYSA-N 1 3 273.424 3.099 20 0 CGADHO CCc1cc(N2CCC[N@H+](C3CCCC3)CC2)ccn1 ZINC000450342858 374069832 /nfs/dbraw/zinc/06/98/32/374069832.db2.gz BKVKDYRDMQWDMT-UHFFFAOYSA-N 1 3 273.424 3.099 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450448624 374135005 /nfs/dbraw/zinc/13/50/05/374135005.db2.gz BSQWIQBNVUFTQQ-LSDHHAIUSA-N 1 3 286.410 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450448624 374135008 /nfs/dbraw/zinc/13/50/08/374135008.db2.gz BSQWIQBNVUFTQQ-LSDHHAIUSA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448624 374135018 /nfs/dbraw/zinc/13/50/18/374135018.db2.gz BSQWIQBNVUFTQQ-LSDHHAIUSA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448624 374135022 /nfs/dbraw/zinc/13/50/22/374135022.db2.gz BSQWIQBNVUFTQQ-LSDHHAIUSA-N 1 3 286.410 3.086 20 0 CGADHO C[C@]1(C[NH2+]Cc2cccnc2)CCN(Cc2ccccc2)C1 ZINC000309694974 374192630 /nfs/dbraw/zinc/19/26/30/374192630.db2.gz DTXSQBGQRQVFBX-LJQANCHMSA-N 1 3 295.430 3.083 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000309893779 374201475 /nfs/dbraw/zinc/20/14/75/374201475.db2.gz FPZQVEGWYKXPFI-SZMVWBNQSA-N 1 3 270.420 3.039 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc(F)c1 ZINC000310816116 374225213 /nfs/dbraw/zinc/22/52/13/374225213.db2.gz GQTPYYATHAQJDA-DOMZBBRYSA-N 1 3 252.377 3.064 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000311789552 374257441 /nfs/dbraw/zinc/25/74/41/374257441.db2.gz KBDMYVWMTUBSEW-PVAVHDDUSA-N 1 3 260.425 3.361 20 0 CGADHO CC(C)C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccccc1 ZINC000311789552 374257449 /nfs/dbraw/zinc/25/74/49/374257449.db2.gz KBDMYVWMTUBSEW-PVAVHDDUSA-N 1 3 260.425 3.361 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700421 374336490 /nfs/dbraw/zinc/33/64/90/374336490.db2.gz BWPSWVCYQAQEKX-ZOBUZTSGSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700421 374336494 /nfs/dbraw/zinc/33/64/94/374336494.db2.gz BWPSWVCYQAQEKX-ZOBUZTSGSA-N 1 3 298.434 3.006 20 0 CGADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)s1 ZINC000322881885 374355001 /nfs/dbraw/zinc/35/50/01/374355001.db2.gz BQBUAJDKZQYJQE-GOOCMWNKSA-N 1 3 264.438 3.080 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000093211406 541979337 /nfs/dbraw/zinc/97/93/37/541979337.db2.gz FQRZUWSWOYWOQZ-UGFHNGPFSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093211406 541979342 /nfs/dbraw/zinc/97/93/42/541979342.db2.gz FQRZUWSWOYWOQZ-UGFHNGPFSA-N 1 3 266.816 3.131 20 0 CGADHO CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185666617 374708476 /nfs/dbraw/zinc/70/84/76/374708476.db2.gz XRSCQMAQZAZVNB-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CN1CC[C@@H](C)[C@H]1C)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000482896000 375172279 /nfs/dbraw/zinc/17/22/79/375172279.db2.gz TXLKWIQTGRWULM-JGPUMOJJSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN1CC[C@@H](C)[C@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896000 375172285 /nfs/dbraw/zinc/17/22/85/375172285.db2.gz TXLKWIQTGRWULM-JGPUMOJJSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1CC[C@H](C)[C@@H]1C)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482896000 375172289 /nfs/dbraw/zinc/17/22/89/375172289.db2.gz TXLKWIQTGRWULM-JGPUMOJJSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000482896000 375172296 /nfs/dbraw/zinc/17/22/96/375172296.db2.gz TXLKWIQTGRWULM-JGPUMOJJSA-N 1 3 252.446 3.083 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC1CCCCC1 ZINC000483247608 375177561 /nfs/dbraw/zinc/17/75/61/375177561.db2.gz NWHJITPXGCHACU-FGTMMUONSA-N 1 3 294.483 3.140 20 0 CGADHO [NH3+]CC1CCC(N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000335182139 375206805 /nfs/dbraw/zinc/20/68/05/375206805.db2.gz YKOBLHCWKNXIMN-QEIKUCIBSA-N 1 3 298.352 3.198 20 0 CGADHO COCCC1(C[NH2+]CCCN2CCCCC2)CCCCC1 ZINC000189007869 375309485 /nfs/dbraw/zinc/30/94/85/375309485.db2.gz YBASWPUIFXIKDN-UHFFFAOYSA-N 1 3 296.499 3.439 20 0 CGADHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335944886 375558862 /nfs/dbraw/zinc/55/88/62/375558862.db2.gz IIQCJBSWGNYMFZ-CJNGLKHVSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335944886 375558866 /nfs/dbraw/zinc/55/88/66/375558866.db2.gz IIQCJBSWGNYMFZ-CJNGLKHVSA-N 1 3 282.497 3.125 20 0 CGADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)cc(C)c1O ZINC000336000003 375606672 /nfs/dbraw/zinc/60/66/72/375606672.db2.gz FYPPEIIRPQNDPG-UHFFFAOYSA-N 1 3 288.435 3.069 20 0 CGADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)cc(C)c1O ZINC000336000003 375606677 /nfs/dbraw/zinc/60/66/77/375606677.db2.gz FYPPEIIRPQNDPG-UHFFFAOYSA-N 1 3 288.435 3.069 20 0 CGADHO CN(Cc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123916856 542029981 /nfs/dbraw/zinc/02/99/81/542029981.db2.gz LQJJOMINWQEVGY-UHFFFAOYSA-N 1 3 284.378 3.103 20 0 CGADHO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928175 542030145 /nfs/dbraw/zinc/03/01/45/542030145.db2.gz SWLLRLQAXASWKW-PBHICJAKSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928175 542030150 /nfs/dbraw/zinc/03/01/50/542030150.db2.gz SWLLRLQAXASWKW-PBHICJAKSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000336128612 375708359 /nfs/dbraw/zinc/70/83/59/375708359.db2.gz HKHXYTFJPNGVGK-LBPRGKRZSA-N 1 3 280.362 3.101 20 0 CGADHO CC[C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000507995191 375731249 /nfs/dbraw/zinc/73/12/49/375731249.db2.gz OPXHYDFFWLVKAH-OAHLLOKOSA-N 1 3 260.425 3.206 20 0 CGADHO CC[C@H](C[NH+]1CCC(N(C)C)CC1)c1ccccc1 ZINC000507995191 375731258 /nfs/dbraw/zinc/73/12/58/375731258.db2.gz OPXHYDFFWLVKAH-OAHLLOKOSA-N 1 3 260.425 3.206 20 0 CGADHO Cc1cnccc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192633854 375775175 /nfs/dbraw/zinc/77/51/75/375775175.db2.gz XMRFAEVLTMWTDY-OAHLLOKOSA-N 1 3 259.397 3.066 20 0 CGADHO Cc1cnccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192633854 375775179 /nfs/dbraw/zinc/77/51/79/375775179.db2.gz XMRFAEVLTMWTDY-OAHLLOKOSA-N 1 3 259.397 3.066 20 0 CGADHO Cc1c2ccccc2oc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192867349 375797905 /nfs/dbraw/zinc/79/79/05/375797905.db2.gz PGBMEHNFGDLNKC-GOOCMWNKSA-N 1 3 284.403 3.456 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000336691899 375904674 /nfs/dbraw/zinc/90/46/74/375904674.db2.gz AFINVKVDYXFZPS-HNNXBMFYSA-N 1 3 250.430 3.149 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000336691899 375904683 /nfs/dbraw/zinc/90/46/83/375904683.db2.gz AFINVKVDYXFZPS-HNNXBMFYSA-N 1 3 250.430 3.149 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000193363918 375869862 /nfs/dbraw/zinc/86/98/62/375869862.db2.gz MDAKJRQMGYKNMI-HDMKZQKVSA-N 1 3 289.467 3.327 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363918 375869869 /nfs/dbraw/zinc/86/98/69/375869869.db2.gz MDAKJRQMGYKNMI-HDMKZQKVSA-N 1 3 289.467 3.327 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccc(F)cc1F ZINC000336791196 375942299 /nfs/dbraw/zinc/94/22/99/375942299.db2.gz MUFBNXJFOUPWTP-GHMZBOCLSA-N 1 3 256.340 3.133 20 0 CGADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCc2ccccc21 ZINC000535051052 376016144 /nfs/dbraw/zinc/01/61/44/376016144.db2.gz UDQWKFUUKFCVII-AEFFLSMTSA-N 1 3 272.436 3.480 20 0 CGADHO CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCCc2ccccc21 ZINC000535051052 376016148 /nfs/dbraw/zinc/01/61/48/376016148.db2.gz UDQWKFUUKFCVII-AEFFLSMTSA-N 1 3 272.436 3.480 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194551630 376017940 /nfs/dbraw/zinc/01/79/40/376017940.db2.gz CYDUURCPZAVSRW-SFHVURJKSA-N 1 3 288.435 3.309 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000194551630 376017943 /nfs/dbraw/zinc/01/79/43/376017943.db2.gz CYDUURCPZAVSRW-SFHVURJKSA-N 1 3 288.435 3.309 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000537294567 376161315 /nfs/dbraw/zinc/16/13/15/376161315.db2.gz FBAQPGDDMCCMTG-ZACQAIPSSA-N 1 3 296.499 3.148 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000537966094 376213192 /nfs/dbraw/zinc/21/31/92/376213192.db2.gz UJXILNGSNNSPFD-IOASZLSFSA-N 1 3 292.492 3.445 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000537966094 376213198 /nfs/dbraw/zinc/21/31/98/376213198.db2.gz UJXILNGSNNSPFD-IOASZLSFSA-N 1 3 292.492 3.445 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](CN(C)CC3CC3)C2)C1 ZINC000538953588 376281484 /nfs/dbraw/zinc/28/14/84/376281484.db2.gz IFTWNCHCPNVTSJ-NJAFHUGGSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](CN(C)CC3CC3)C2)C1 ZINC000538953588 376281487 /nfs/dbraw/zinc/28/14/87/376281487.db2.gz IFTWNCHCPNVTSJ-NJAFHUGGSA-N 1 3 278.484 3.476 20 0 CGADHO CCC[C@H](C)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000539367672 288611695 /nfs/dbraw/zinc/61/16/95/288611695.db2.gz YXKDUUHTZIEZFC-ULQDDVLXSA-N 1 3 296.499 3.244 20 0 CGADHO C([C@H]1CC[N@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC000538717544 376257843 /nfs/dbraw/zinc/25/78/43/376257843.db2.gz IOKSXEWRPULFDK-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C([C@H]1CC[N@@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC000538717544 376257848 /nfs/dbraw/zinc/25/78/48/376257848.db2.gz IOKSXEWRPULFDK-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO CC(C)SCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000338291863 376317879 /nfs/dbraw/zinc/31/78/79/376317879.db2.gz NXIJTZQHHHJYED-GJZGRUSLSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338291863 376317886 /nfs/dbraw/zinc/31/78/86/376317886.db2.gz NXIJTZQHHHJYED-GJZGRUSLSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291863 376317894 /nfs/dbraw/zinc/31/78/94/376317894.db2.gz NXIJTZQHHHJYED-GJZGRUSLSA-N 1 3 284.513 3.371 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226330792 376353135 /nfs/dbraw/zinc/35/31/35/376353135.db2.gz ZJQMBUVCHMEUPS-XNRPHZJLSA-N 1 3 264.388 3.336 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCC)C2)C1(C)C ZINC000540597303 376383883 /nfs/dbraw/zinc/38/38/83/376383883.db2.gz LDLPINMBNDAJAR-YESZJQIVSA-N 1 3 296.499 3.292 20 0 CGADHO COc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000540608113 376385475 /nfs/dbraw/zinc/38/54/75/376385475.db2.gz WNWDTJPQYAKZOE-LBPRGKRZSA-N 1 3 294.826 3.261 20 0 CGADHO COc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1Cl ZINC000540608113 376385479 /nfs/dbraw/zinc/38/54/79/376385479.db2.gz WNWDTJPQYAKZOE-LBPRGKRZSA-N 1 3 294.826 3.261 20 0 CGADHO C[NH+]1CCC(C)(CNCc2cccc(Cl)c2F)CC1 ZINC000227329551 376389712 /nfs/dbraw/zinc/38/97/12/376389712.db2.gz IQLLERZSKDULIH-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)C1CCCC1)N1CCCCC1 ZINC000541557768 376458574 /nfs/dbraw/zinc/45/85/74/376458574.db2.gz UGTHHOHKVWJXHD-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621213 376467579 /nfs/dbraw/zinc/46/75/79/376467579.db2.gz QPDUVYDPWUCDEY-JKSUJKDBSA-N 1 3 250.430 3.173 20 0 CGADHO C(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621213 376467582 /nfs/dbraw/zinc/46/75/82/376467582.db2.gz QPDUVYDPWUCDEY-JKSUJKDBSA-N 1 3 250.430 3.173 20 0 CGADHO C(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621213 376467585 /nfs/dbraw/zinc/46/75/85/376467585.db2.gz QPDUVYDPWUCDEY-JKSUJKDBSA-N 1 3 250.430 3.173 20 0 CGADHO c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@H](CN3CCCC3)C1)C2 ZINC000541987395 376499505 /nfs/dbraw/zinc/49/95/05/376499505.db2.gz ZJMSZKSLLGBBKB-QZTJIDSGSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@H](CN3CCCC3)C1)C2 ZINC000541987395 376499510 /nfs/dbraw/zinc/49/95/10/376499510.db2.gz ZJMSZKSLLGBBKB-QZTJIDSGSA-N 1 3 298.474 3.209 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000542469126 376545374 /nfs/dbraw/zinc/54/53/74/376545374.db2.gz MKKYPJTURWYBMO-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000542469126 376545381 /nfs/dbraw/zinc/54/53/81/376545381.db2.gz MKKYPJTURWYBMO-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)[C@@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093561 376603942 /nfs/dbraw/zinc/60/39/42/376603942.db2.gz MGKFFKZPTIBJRY-LZWOXQAQSA-N 1 3 280.481 3.484 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)[C@@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093561 376603951 /nfs/dbraw/zinc/60/39/51/376603951.db2.gz MGKFFKZPTIBJRY-LZWOXQAQSA-N 1 3 280.481 3.484 20 0 CGADHO C[C@@]1(C[NH3+])CCN(Cc2csc3ccccc23)C1 ZINC000235415954 376639357 /nfs/dbraw/zinc/63/93/57/376639357.db2.gz VHROXPLDDZWQLK-HNNXBMFYSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@@]1(CN)CC[N@H+](Cc2csc3ccccc23)C1 ZINC000235415954 376639363 /nfs/dbraw/zinc/63/93/63/376639363.db2.gz VHROXPLDDZWQLK-HNNXBMFYSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000235415954 376639369 /nfs/dbraw/zinc/63/93/69/376639369.db2.gz VHROXPLDDZWQLK-HNNXBMFYSA-N 1 3 260.406 3.072 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000543438956 376642322 /nfs/dbraw/zinc/64/23/22/376642322.db2.gz ZVYRPCVXYFEGCC-OFLPRAFFSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000543438956 376642328 /nfs/dbraw/zinc/64/23/28/376642328.db2.gz ZVYRPCVXYFEGCC-OFLPRAFFSA-N 1 3 266.473 3.476 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC2CCC(C)CC2)C1 ZINC000543438956 376642340 /nfs/dbraw/zinc/64/23/40/376642340.db2.gz ZVYRPCVXYFEGCC-OFLPRAFFSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000556865195 376891382 /nfs/dbraw/zinc/89/13/82/376891382.db2.gz IZBGGEUSOGTURN-IRXDYDNUSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558698652 377034536 /nfs/dbraw/zinc/03/45/36/377034536.db2.gz WAQIFNSIFPTWOF-DMRKSPOLSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](F)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000340458615 377071726 /nfs/dbraw/zinc/07/17/26/377071726.db2.gz BIMCFDGPLBTLFQ-KGLIPLIRSA-N 1 3 282.403 3.026 20 0 CGADHO C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469791 377081078 /nfs/dbraw/zinc/08/10/78/377081078.db2.gz LSIRANZQIHCTMS-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469791 377081083 /nfs/dbraw/zinc/08/10/83/377081083.db2.gz LSIRANZQIHCTMS-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469791 377081092 /nfs/dbraw/zinc/08/10/92/377081092.db2.gz LSIRANZQIHCTMS-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246739555 377081129 /nfs/dbraw/zinc/08/11/29/377081129.db2.gz YMTDHRSYHCHEDZ-JKIFEVAISA-N 1 3 260.425 3.067 20 0 CGADHO CCc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246739555 377081137 /nfs/dbraw/zinc/08/11/37/377081137.db2.gz YMTDHRSYHCHEDZ-JKIFEVAISA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(F)c1 ZINC000247044757 377148057 /nfs/dbraw/zinc/14/80/57/377148057.db2.gz LWCZMMHXEYBBES-APHBMKBZSA-N 1 3 264.388 3.349 20 0 CGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000247979448 377251660 /nfs/dbraw/zinc/25/16/60/377251660.db2.gz IFOAXUCXAQFKGN-BPUTZDHNSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000247979448 377251665 /nfs/dbraw/zinc/25/16/65/377251665.db2.gz IFOAXUCXAQFKGN-BPUTZDHNSA-N 1 3 260.425 3.437 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043117 377260233 /nfs/dbraw/zinc/26/02/33/377260233.db2.gz MIUAUZHKHOYABL-MSOLQXFVSA-N 1 3 290.426 3.317 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043117 377260244 /nfs/dbraw/zinc/26/02/44/377260244.db2.gz MIUAUZHKHOYABL-MSOLQXFVSA-N 1 3 290.426 3.317 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248455334 377323945 /nfs/dbraw/zinc/32/39/45/377323945.db2.gz HUTQODWGMMJIID-WCXIOVBPSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248455334 377323951 /nfs/dbraw/zinc/32/39/51/377323951.db2.gz HUTQODWGMMJIID-WCXIOVBPSA-N 1 3 264.457 3.229 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccnc1 ZINC000248492312 377330904 /nfs/dbraw/zinc/33/09/04/377330904.db2.gz JEQVWEJNLSAXOK-BBWFWOEESA-N 1 3 275.440 3.385 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248176141 377277869 /nfs/dbraw/zinc/27/78/69/377277869.db2.gz VPZVTGCOAOBLQQ-RYQLBKOJSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248176141 377277874 /nfs/dbraw/zinc/27/78/74/377277874.db2.gz VPZVTGCOAOBLQQ-RYQLBKOJSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248176141 377277880 /nfs/dbraw/zinc/27/78/80/377277880.db2.gz VPZVTGCOAOBLQQ-RYQLBKOJSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248176141 377277884 /nfs/dbraw/zinc/27/78/84/377277884.db2.gz VPZVTGCOAOBLQQ-RYQLBKOJSA-N 1 3 272.436 3.472 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248597277 377361650 /nfs/dbraw/zinc/36/16/50/377361650.db2.gz TYLNHFDHVPGMSW-QZTJIDSGSA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000563136153 377408427 /nfs/dbraw/zinc/40/84/27/377408427.db2.gz BMCHLLJPYUGOSV-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@@H](C[N@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000563136153 377408429 /nfs/dbraw/zinc/40/84/29/377408429.db2.gz BMCHLLJPYUGOSV-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC000414943294 249124050 /nfs/dbraw/zinc/12/40/50/249124050.db2.gz FGQDUIHYSYUWDG-YQQAZPJKSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1cccc(CC[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414943294 249124052 /nfs/dbraw/zinc/12/40/52/249124052.db2.gz FGQDUIHYSYUWDG-YQQAZPJKSA-N 1 3 260.425 3.046 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905371 249126971 /nfs/dbraw/zinc/12/69/71/249126971.db2.gz ICXQTMMTBXPDGA-HOCLYGCPSA-N 1 3 290.476 3.289 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905371 249126972 /nfs/dbraw/zinc/12/69/72/249126972.db2.gz ICXQTMMTBXPDGA-HOCLYGCPSA-N 1 3 290.476 3.289 20 0 CGADHO CC[C@@H](c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516291257 249230931 /nfs/dbraw/zinc/23/09/31/249230931.db2.gz NUBZUQPQDWNBHW-DLBZAZTESA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000516291257 249230933 /nfs/dbraw/zinc/23/09/33/249230933.db2.gz NUBZUQPQDWNBHW-DLBZAZTESA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000516291257 249230935 /nfs/dbraw/zinc/23/09/35/249230935.db2.gz NUBZUQPQDWNBHW-DLBZAZTESA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCC2 ZINC000518375798 249280286 /nfs/dbraw/zinc/28/02/86/249280286.db2.gz HEHVRYFJNLLAGZ-AWEZNQCLSA-N 1 3 280.415 3.485 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC000517031476 249254979 /nfs/dbraw/zinc/25/49/79/249254979.db2.gz GRCFHPOTYSPXPM-LBPRGKRZSA-N 1 3 258.340 3.135 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CC[C@@H]1C1CC1 ZINC000573858392 377586113 /nfs/dbraw/zinc/58/61/13/377586113.db2.gz WANXIVUCPGEDQP-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000573858392 377586120 /nfs/dbraw/zinc/58/61/20/377586120.db2.gz WANXIVUCPGEDQP-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@@H](NCc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000517373133 249264052 /nfs/dbraw/zinc/26/40/52/249264052.db2.gz DXFDUWDVDGOINE-QGZVFWFLSA-N 1 3 269.392 3.027 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000517553744 249267302 /nfs/dbraw/zinc/26/73/02/249267302.db2.gz QJUISNOIGPSRPJ-WFASDCNBSA-N 1 3 278.465 3.105 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN1CCCCC1 ZINC000252711136 377655641 /nfs/dbraw/zinc/65/56/41/377655641.db2.gz IQGMYVDFUSXEMN-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000252784865 377664936 /nfs/dbraw/zinc/66/49/36/377664936.db2.gz OUDNZHOUANWPKO-RRFJBIMHSA-N 1 3 252.446 3.323 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000261597174 377823006 /nfs/dbraw/zinc/82/30/06/377823006.db2.gz MMVWKWWDZFZHDN-UHFFFAOYSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261583192 377823847 /nfs/dbraw/zinc/82/38/47/377823847.db2.gz RRIVFXBALDBCNH-GUBZILKMSA-N 1 3 260.303 3.092 20 0 CGADHO Cc1ccccc1C[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261962718 377873910 /nfs/dbraw/zinc/87/39/10/377873910.db2.gz HLQWEZBAMMRTMM-ZWKOTPCHSA-N 1 3 272.436 3.002 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000262011022 377878156 /nfs/dbraw/zinc/87/81/56/377878156.db2.gz VCBFQXCENNEPAU-MOPGFXCFSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000262011022 377878164 /nfs/dbraw/zinc/87/81/64/377878164.db2.gz VCBFQXCENNEPAU-MOPGFXCFSA-N 1 3 286.463 3.331 20 0 CGADHO Cc1ccc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000262456442 377898567 /nfs/dbraw/zinc/89/85/67/377898567.db2.gz IDNNBJNBDWFDCQ-OKZBNKHCSA-N 1 3 295.430 3.102 20 0 CGADHO CC[NH2+]CC1CCN(CCOc2c(C)cccc2C)CC1 ZINC000262019408 377880206 /nfs/dbraw/zinc/88/02/06/377880206.db2.gz GACJZSUYCBNUJZ-UHFFFAOYSA-N 1 3 290.451 3.004 20 0 CGADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039773 377882243 /nfs/dbraw/zinc/88/22/43/377882243.db2.gz PAPOYMNNBVYOCL-CVEARBPZSA-N 1 3 264.457 3.278 20 0 CGADHO CC(C)CN(CCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261733145 377848403 /nfs/dbraw/zinc/84/84/03/377848403.db2.gz HMXIWFXMVZZZFR-SFHVURJKSA-N 1 3 274.452 3.187 20 0 CGADHO CO[C@H](C)[C@@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000268834096 378126876 /nfs/dbraw/zinc/12/68/76/378126876.db2.gz RNZVNOLRTGHEQW-HUUCEWRRSA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@H](C)[C@@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000268834096 378126879 /nfs/dbraw/zinc/12/68/79/378126879.db2.gz RNZVNOLRTGHEQW-HUUCEWRRSA-N 1 3 278.440 3.040 20 0 CGADHO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011553 378152402 /nfs/dbraw/zinc/15/24/02/378152402.db2.gz DSVMXJQVZRRLNH-JKSUJKDBSA-N 1 3 294.487 3.105 20 0 CGADHO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)Cc1ccn(C(C)C)n1 ZINC000344011553 378152405 /nfs/dbraw/zinc/15/24/05/378152405.db2.gz DSVMXJQVZRRLNH-JKSUJKDBSA-N 1 3 294.487 3.105 20 0 CGADHO CC[NH2+]CCCN[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000578878291 378109416 /nfs/dbraw/zinc/10/94/16/378109416.db2.gz LDBBAILFWMNUSX-CHWSQXEVSA-N 1 3 291.464 3.378 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N)C[C@H]1C ZINC000579488877 378165856 /nfs/dbraw/zinc/16/58/56/378165856.db2.gz YVUWTNAQDCVSFG-BFYDXBDKSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](N)C[C@H]1C ZINC000579488877 378165859 /nfs/dbraw/zinc/16/58/59/378165859.db2.gz YVUWTNAQDCVSFG-BFYDXBDKSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000579488877 378165865 /nfs/dbraw/zinc/16/58/65/378165865.db2.gz YVUWTNAQDCVSFG-BFYDXBDKSA-N 1 3 260.425 3.067 20 0 CGADHO NC[C@@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000583500628 378326016 /nfs/dbraw/zinc/32/60/16/378326016.db2.gz RZFJBDNMSCKFSX-ZOBUZTSGSA-N 1 3 276.399 3.133 20 0 CGADHO NC[C@@H](C[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000583500628 378326021 /nfs/dbraw/zinc/32/60/21/378326021.db2.gz RZFJBDNMSCKFSX-ZOBUZTSGSA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000583806416 378348845 /nfs/dbraw/zinc/34/88/45/378348845.db2.gz DOFDFDFSTQHKHK-VXGBXAGGSA-N 1 3 266.351 3.085 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000583806377 378349368 /nfs/dbraw/zinc/34/93/68/378349368.db2.gz BAANXRPCRPUYGK-BRSBDYLESA-N 1 3 296.499 3.338 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583806377 378349374 /nfs/dbraw/zinc/34/93/74/378349374.db2.gz BAANXRPCRPUYGK-BRSBDYLESA-N 1 3 296.499 3.338 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Cl ZINC000583823355 378350029 /nfs/dbraw/zinc/35/00/29/378350029.db2.gz USOAHVOXRVWINE-BFHYXJOUSA-N 1 3 296.842 3.357 20 0 CGADHO CC[C@H]1CCC[C@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000346218477 378509739 /nfs/dbraw/zinc/50/97/39/378509739.db2.gz MKDUIPJSQJVGAB-IRXDYDNUSA-N 1 3 296.499 3.245 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271904008 378512407 /nfs/dbraw/zinc/51/24/07/378512407.db2.gz WCOCRAHNXACUOF-CABCVRRESA-N 1 3 288.435 3.039 20 0 CGADHO C[C@H](NCc1cc[nH]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134337 378569569 /nfs/dbraw/zinc/56/95/69/378569569.db2.gz AAXHNMYZLOSNDT-MAUKXSAKSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@H](NCc1cc[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134337 378569575 /nfs/dbraw/zinc/56/95/75/378569575.db2.gz AAXHNMYZLOSNDT-MAUKXSAKSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@H]([NH2+]Cc1cc[nH]c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272134337 378569580 /nfs/dbraw/zinc/56/95/80/378569580.db2.gz AAXHNMYZLOSNDT-MAUKXSAKSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000346576378 378629150 /nfs/dbraw/zinc/62/91/50/378629150.db2.gz PWRYXVRVYNYYJM-CZUORRHYSA-N 1 3 276.424 3.076 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc2cccnc12 ZINC000346817817 378690226 /nfs/dbraw/zinc/69/02/26/378690226.db2.gz GCNYRHJIEHCXSD-OKZBNKHCSA-N 1 3 295.430 3.102 20 0 CGADHO CN(CCCOc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000346832704 378692322 /nfs/dbraw/zinc/69/23/22/378692322.db2.gz MERUKQOFFXOQEB-CQSZACIVSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCCNC1 ZINC000346832704 378692329 /nfs/dbraw/zinc/69/23/29/378692329.db2.gz MERUKQOFFXOQEB-CQSZACIVSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCCNC1 ZINC000346832704 378692336 /nfs/dbraw/zinc/69/23/36/378692336.db2.gz MERUKQOFFXOQEB-CQSZACIVSA-N 1 3 296.842 3.040 20 0 CGADHO Fc1ccc(CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346837567 378692696 /nfs/dbraw/zinc/69/26/96/378692696.db2.gz WNCNXRUJIYCHCS-QGZVFWFLSA-N 1 3 290.426 3.080 20 0 CGADHO Fc1ccc(CC2CC[NH+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000346837567 378692700 /nfs/dbraw/zinc/69/27/00/378692700.db2.gz WNCNXRUJIYCHCS-QGZVFWFLSA-N 1 3 290.426 3.080 20 0 CGADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCN(C2CCC2)C1 ZINC000347927622 378731083 /nfs/dbraw/zinc/73/10/83/378731083.db2.gz IAWRMPSAHXQYCX-VXGBXAGGSA-N 1 3 278.362 3.181 20 0 CGADHO C[C@H]1CCC[N@H+](CCCCNCc2cccc(F)c2N)C1 ZINC000638367791 378780889 /nfs/dbraw/zinc/78/08/89/378780889.db2.gz YCLUXYDTRGHKML-AWEZNQCLSA-N 1 3 293.430 3.010 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCCNCc2cccc(F)c2N)C1 ZINC000638367791 378780897 /nfs/dbraw/zinc/78/08/97/378780897.db2.gz YCLUXYDTRGHKML-AWEZNQCLSA-N 1 3 293.430 3.010 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000274395237 378825034 /nfs/dbraw/zinc/82/50/34/378825034.db2.gz DJOOWKKILDJYNH-CQSZACIVSA-N 1 3 294.414 3.276 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000274395237 378825041 /nfs/dbraw/zinc/82/50/41/378825041.db2.gz DJOOWKKILDJYNH-CQSZACIVSA-N 1 3 294.414 3.276 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348267068 378874992 /nfs/dbraw/zinc/87/49/92/378874992.db2.gz ZKSWDBKWSGDRRM-BPQIPLTHSA-N 1 3 272.436 3.112 20 0 CGADHO CN1CC=C(C[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638838711 378931199 /nfs/dbraw/zinc/93/11/99/378931199.db2.gz NVLCBOGCRNMAPZ-UHFFFAOYSA-N 1 3 260.425 3.261 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(OCCN(C)C)cc1 ZINC000348324766 378909184 /nfs/dbraw/zinc/90/91/84/378909184.db2.gz LDQJEIHMNJPDMT-NUEKZKHPSA-N 1 3 294.414 3.168 20 0 CGADHO CC(C)(C[NH2+]Cc1cccc2cccnc21)CN1CCCC1 ZINC000276722771 378984939 /nfs/dbraw/zinc/98/49/39/378984939.db2.gz SWCAIUSCFQRQGG-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO CCc1oc2ccccc2c1CN1CCC[C@@H](C[NH3+])C1 ZINC000347113862 218126780 /nfs/dbraw/zinc/12/67/80/218126780.db2.gz SDYMPDMCYZIYAY-ZDUSSCGKSA-N 1 3 272.392 3.166 20 0 CGADHO CCOC1CC(C[NH2+]C(C)(C)CCN2CCCCCC2)C1 ZINC000639064451 378998687 /nfs/dbraw/zinc/99/86/87/378998687.db2.gz AYCPZOUZDBTMKR-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000347368311 218208552 /nfs/dbraw/zinc/20/85/52/218208552.db2.gz XRYUCTBCGAHACW-YJBOKZPZSA-N 1 3 297.446 3.097 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000347368311 218208553 /nfs/dbraw/zinc/20/85/53/218208553.db2.gz XRYUCTBCGAHACW-YJBOKZPZSA-N 1 3 297.446 3.097 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1C(F)(F)F ZINC000569103689 322234554 /nfs/dbraw/zinc/23/45/54/322234554.db2.gz QIWMEGCYGCGCTQ-GHMZBOCLSA-N 1 3 274.330 3.229 20 0 CGADHO c1cncc([C@H]2CCC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000639689955 379548037 /nfs/dbraw/zinc/54/80/37/379548037.db2.gz BVWCLPABLWUCDR-SFHVURJKSA-N 1 3 287.451 3.137 20 0 CGADHO c1cncc([C@H]2CCC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000639689955 379548041 /nfs/dbraw/zinc/54/80/41/379548041.db2.gz BVWCLPABLWUCDR-SFHVURJKSA-N 1 3 287.451 3.137 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376409179 379550589 /nfs/dbraw/zinc/55/05/89/379550589.db2.gz MOORVPZBADEFEY-WWDZGPRUSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccncc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000279985937 379573167 /nfs/dbraw/zinc/57/31/67/379573167.db2.gz QUOOGSPXKZSQKF-HZPDHXFCSA-N 1 3 289.467 3.238 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000267278463 190317580 /nfs/dbraw/zinc/31/75/80/190317580.db2.gz USNTVNKJNDPTNJ-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000267278463 190317581 /nfs/dbraw/zinc/31/75/81/190317581.db2.gz USNTVNKJNDPTNJ-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1cc(CN2CCCC[C@H]2CC[NH3+])cc2cccnc12 ZINC000352540501 379849538 /nfs/dbraw/zinc/84/95/38/379849538.db2.gz LYNBAESHYKZVBI-KRWDZBQOSA-N 1 3 283.419 3.247 20 0 CGADHO CN(C)CCOC1CC[NH+](CCC2CCCCCC2)CC1 ZINC000347782240 218354849 /nfs/dbraw/zinc/35/48/49/218354849.db2.gz PGFHXRJYNVUPQM-UHFFFAOYSA-N 1 3 296.499 3.390 20 0 CGADHO CN1CC=C(C[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000392190913 379911354 /nfs/dbraw/zinc/91/13/54/379911354.db2.gz MASMRDHRCBHGRO-UHFFFAOYSA-N 1 3 264.457 3.443 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352721215 379923012 /nfs/dbraw/zinc/92/30/12/379923012.db2.gz QPGPTNRJULTFNW-FHERZECASA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCNC1CC(OC(C)(C)C)C1 ZINC000352721215 379923017 /nfs/dbraw/zinc/92/30/17/379923017.db2.gz QPGPTNRJULTFNW-FHERZECASA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCNC1CC(OC(C)(C)C)C1 ZINC000352721215 379923022 /nfs/dbraw/zinc/92/30/22/379923022.db2.gz QPGPTNRJULTFNW-FHERZECASA-N 1 3 282.472 3.187 20 0 CGADHO CCc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000352812809 379977298 /nfs/dbraw/zinc/97/72/98/379977298.db2.gz IJTZCLHTOYVHFA-INIZCTEOSA-N 1 3 289.467 3.388 20 0 CGADHO CCc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000352812809 379977310 /nfs/dbraw/zinc/97/73/10/379977310.db2.gz IJTZCLHTOYVHFA-INIZCTEOSA-N 1 3 289.467 3.388 20 0 CGADHO CCc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000352813000 379977656 /nfs/dbraw/zinc/97/76/56/379977656.db2.gz IJTZCLHTOYVHFA-MRXNPFEDSA-N 1 3 289.467 3.388 20 0 CGADHO CCc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000352813000 379977663 /nfs/dbraw/zinc/97/76/63/379977663.db2.gz IJTZCLHTOYVHFA-MRXNPFEDSA-N 1 3 289.467 3.388 20 0 CGADHO C[C@H](N[C@@H]1CCCCC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000400364876 379949370 /nfs/dbraw/zinc/94/93/70/379949370.db2.gz DQNMKGYIJGPIHY-RRFJBIMHSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCCC12CCCC2)[C@H]1CCCN1 ZINC000400364876 379949374 /nfs/dbraw/zinc/94/93/74/379949374.db2.gz DQNMKGYIJGPIHY-RRFJBIMHSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+]CCc1ccco1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000347913613 218398235 /nfs/dbraw/zinc/39/82/35/218398235.db2.gz APBKEVKQVPBPQT-AEFFLSMTSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@@H](NCCc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347913613 218398238 /nfs/dbraw/zinc/39/82/38/218398238.db2.gz APBKEVKQVPBPQT-AEFFLSMTSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@@H](NCCc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913613 218398242 /nfs/dbraw/zinc/39/82/42/218398242.db2.gz APBKEVKQVPBPQT-AEFFLSMTSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@@H]1CCCN(C2CCC2)C1 ZINC000411516655 380149428 /nfs/dbraw/zinc/14/94/28/380149428.db2.gz KIGZLSJVNBMUNM-ZMSDIMECSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@H]1CCC(C)(C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516655 380149434 /nfs/dbraw/zinc/14/94/34/380149434.db2.gz KIGZLSJVNBMUNM-ZMSDIMECSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@H]1CCC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516655 380149440 /nfs/dbraw/zinc/14/94/40/380149440.db2.gz KIGZLSJVNBMUNM-ZMSDIMECSA-N 1 3 294.483 3.187 20 0 CGADHO C[NH+](C)C1CCC(NCc2cscc2Cl)CC1 ZINC000643296074 380263110 /nfs/dbraw/zinc/26/31/10/380263110.db2.gz NKYHUUJQLSKVHD-UHFFFAOYSA-N 1 3 272.845 3.364 20 0 CGADHO CSC1(CN[C@@H](C)c2cc(C)c(C)o2)CC[NH+](C)CC1 ZINC000353618418 380214450 /nfs/dbraw/zinc/21/44/50/380214450.db2.gz GEUZUTLEUHWVAH-ZDUSSCGKSA-N 1 3 296.480 3.374 20 0 CGADHO CSC1(CN[C@H](C)c2ccc(C)o2)CC[NH+](C)CC1 ZINC000353615614 380215646 /nfs/dbraw/zinc/21/56/46/380215646.db2.gz YVRBJHFEFARXJU-CYBMUJFWSA-N 1 3 282.453 3.066 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000643474080 380317233 /nfs/dbraw/zinc/31/72/33/380317233.db2.gz UJEWCVZBFLQOKP-ZACQAIPSSA-N 1 3 258.409 3.054 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000643512474 380333798 /nfs/dbraw/zinc/33/37/98/380333798.db2.gz ZLHAWGUAPIUFDI-LAQRGFTBSA-N 1 3 287.451 3.215 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460324 380311761 /nfs/dbraw/zinc/31/17/61/380311761.db2.gz PWFZFKNTPUHVIM-VDHUWJSZSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)c1ccncc1 ZINC000643460324 380311769 /nfs/dbraw/zinc/31/17/69/380311769.db2.gz PWFZFKNTPUHVIM-VDHUWJSZSA-N 1 3 287.451 3.086 20 0 CGADHO C1CC(C([NH2+][C@H]2CCNC3(CCC3)C2)C2CCC2)C1 ZINC000643547954 380363448 /nfs/dbraw/zinc/36/34/48/380363448.db2.gz LEVWIELNUQTMRX-HNNXBMFYSA-N 1 3 262.441 3.220 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1(CC)CC ZINC000643548434 380365570 /nfs/dbraw/zinc/36/55/70/380365570.db2.gz PIWNSPMRZXTQDV-OWCLPIDISA-N 1 3 294.483 3.235 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1(CC)CC ZINC000643548434 380365577 /nfs/dbraw/zinc/36/55/77/380365577.db2.gz PIWNSPMRZXTQDV-OWCLPIDISA-N 1 3 294.483 3.235 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548844 380365724 /nfs/dbraw/zinc/36/57/24/380365724.db2.gz VZVQBMZAWKIJDZ-YOEHRIQHSA-N 1 3 285.435 3.198 20 0 CGADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](N)CC(C)C ZINC000414693963 380377230 /nfs/dbraw/zinc/37/72/30/380377230.db2.gz SIQZKZYEEIURPG-DLBZAZTESA-N 1 3 290.451 3.076 20 0 CGADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](N)CC(C)C ZINC000414693963 380377235 /nfs/dbraw/zinc/37/72/35/380377235.db2.gz SIQZKZYEEIURPG-DLBZAZTESA-N 1 3 290.451 3.076 20 0 CGADHO CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000643521688 380337819 /nfs/dbraw/zinc/33/78/19/380337819.db2.gz WLYPGCFXNISEEL-NVXWUHKLSA-N 1 3 276.424 3.268 20 0 CGADHO Clc1cccc2c1CCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643522321 380339627 /nfs/dbraw/zinc/33/96/27/380339627.db2.gz LOQQXHUHXPPWRI-BLLLJJGKSA-N 1 3 278.827 3.449 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)NC[C@H](C)[NH3+] ZINC000643528966 380347070 /nfs/dbraw/zinc/34/70/70/380347070.db2.gz RVDSKPGSPDUABZ-WFASDCNBSA-N 1 3 268.832 3.234 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000643535178 380350791 /nfs/dbraw/zinc/35/07/91/380350791.db2.gz JWMCYZYGWNIQCU-ABAIWWIYSA-N 1 3 287.432 3.089 20 0 CGADHO CC(C)CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536121 380352136 /nfs/dbraw/zinc/35/21/36/380352136.db2.gz RGFTYRHWVRBNIH-HZPDHXFCSA-N 1 3 276.424 3.489 20 0 CGADHO CC(C)[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643536913 380353749 /nfs/dbraw/zinc/35/37/49/380353749.db2.gz YPFBOBMBBHXOPG-JKSUJKDBSA-N 1 3 294.389 3.394 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643537093 380354774 /nfs/dbraw/zinc/35/47/74/380354774.db2.gz ZEIJJRSRSYWVIR-WCQYABFASA-N 1 3 293.480 3.368 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643545688 380357885 /nfs/dbraw/zinc/35/78/85/380357885.db2.gz AKXZXBYWDAKEJI-HZPDHXFCSA-N 1 3 258.409 3.402 20 0 CGADHO CNC[C@@H]1CC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414664332 380359169 /nfs/dbraw/zinc/35/91/69/380359169.db2.gz CDYISNJMAIAQMQ-SZMVWBNQSA-N 1 3 272.436 3.038 20 0 CGADHO CNC[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414664332 380359177 /nfs/dbraw/zinc/35/91/77/380359177.db2.gz CDYISNJMAIAQMQ-SZMVWBNQSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546433 380359203 /nfs/dbraw/zinc/35/92/03/380359203.db2.gz ORBFELADSIGLBA-CABCVRRESA-N 1 3 250.430 3.386 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546122 380359590 /nfs/dbraw/zinc/35/95/90/380359590.db2.gz IUXFULBNWWUSMW-HRCADAONSA-N 1 3 264.457 3.466 20 0 CGADHO c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643547347 380361559 /nfs/dbraw/zinc/36/15/59/380361559.db2.gz DBKQWEUIXBICLN-NXHRZFHOSA-N 1 3 299.462 3.372 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546884 380362027 /nfs/dbraw/zinc/36/20/27/380362027.db2.gz WELVKTJAEUZICO-ZIAGYGMSSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H](C)N ZINC000414817833 380427264 /nfs/dbraw/zinc/42/72/64/380427264.db2.gz BWOWQYUNEFTJNM-NWDGAFQWSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H](CCc1cccc(C(F)(F)F)c1)NCC[C@H](C)[NH3+] ZINC000414817833 380427271 /nfs/dbraw/zinc/42/72/71/380427271.db2.gz BWOWQYUNEFTJNM-NWDGAFQWSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)c1ccccc1 ZINC000414826103 380435912 /nfs/dbraw/zinc/43/59/12/380435912.db2.gz ILZHFAIBFKKJDI-LRVWRGMPSA-N 1 3 258.409 3.051 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830121 380438153 /nfs/dbraw/zinc/43/81/53/380438153.db2.gz APYOXDFYMMKBGM-NEPJUHHUSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414830121 380438160 /nfs/dbraw/zinc/43/81/60/380438160.db2.gz APYOXDFYMMKBGM-NEPJUHHUSA-N 1 3 288.357 3.082 20 0 CGADHO Fc1ccc(CNCC[C@H]2CC[NH2+]C2)c(Cl)c1Cl ZINC000414837689 380446392 /nfs/dbraw/zinc/44/63/92/380446392.db2.gz UXMWFIFMEHLOBO-SECBINFHSA-N 1 3 291.197 3.222 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]CC1(N)CCCCC1 ZINC000414845995 380450401 /nfs/dbraw/zinc/45/04/01/380450401.db2.gz RSKIMPNYWIYJGL-ZDUSSCGKSA-N 1 3 264.388 3.008 20 0 CGADHO C[C@@H](Cc1ccccc1F)NCC1([NH3+])CCCCC1 ZINC000414845995 380450410 /nfs/dbraw/zinc/45/04/10/380450410.db2.gz RSKIMPNYWIYJGL-ZDUSSCGKSA-N 1 3 264.388 3.008 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000414854021 380455261 /nfs/dbraw/zinc/45/52/61/380455261.db2.gz LSXNDUADGOKMBP-SZMVWBNQSA-N 1 3 272.436 3.086 20 0 CGADHO Clc1cccc(Cl)c1CCC[NH2+]C1CCNCC1 ZINC000414776064 380399355 /nfs/dbraw/zinc/39/93/55/380399355.db2.gz DZECFPHHUUIZNX-UHFFFAOYSA-N 1 3 287.234 3.268 20 0 CGADHO Clc1cccc(Cl)c1CCCNC1CC[NH2+]CC1 ZINC000414776064 380399362 /nfs/dbraw/zinc/39/93/62/380399362.db2.gz DZECFPHHUUIZNX-UHFFFAOYSA-N 1 3 287.234 3.268 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000414790555 380406367 /nfs/dbraw/zinc/40/63/67/380406367.db2.gz AHTHUTYSNGFICQ-FZMZJTMJSA-N 1 3 286.341 3.231 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000414791332 380407443 /nfs/dbraw/zinc/40/74/43/380407443.db2.gz HQDCWNAHVAKCKV-ZWNOBZJWSA-N 1 3 273.207 3.210 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccc(OC)cc1 ZINC000414802976 380416442 /nfs/dbraw/zinc/41/64/42/380416442.db2.gz CGFCYALDMWSRPJ-CQSZACIVSA-N 1 3 278.440 3.123 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc(F)cc(Cl)c1 ZINC000414805377 380418454 /nfs/dbraw/zinc/41/84/54/380418454.db2.gz PPHZCWMEIMNLQB-RISCZKNCSA-N 1 3 270.779 3.086 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414804844 380418907 /nfs/dbraw/zinc/41/89/07/380418907.db2.gz PDNKLLXYBGJUOZ-SWLSCSKDSA-N 1 3 266.816 3.256 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414806769 380420633 /nfs/dbraw/zinc/42/06/33/380420633.db2.gz QHEMRAFQFUZVPV-ZIAGYGMSSA-N 1 3 266.816 3.303 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCCNCC1)c1ccccc1 ZINC000414911779 380486347 /nfs/dbraw/zinc/48/63/47/380486347.db2.gz HCPVLZRZWDJWLC-IRXDYDNUSA-N 1 3 260.425 3.158 20 0 CGADHO CCCC1CCC(C[NH2+]C2(C)CCNCC2)CC1 ZINC000414931621 380494207 /nfs/dbraw/zinc/49/42/07/380494207.db2.gz BYCMQYMXIGTAPH-UHFFFAOYSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414941223 380498608 /nfs/dbraw/zinc/49/86/08/380498608.db2.gz LCDQIEZSWQAJDA-LOWVWBTDSA-N 1 3 286.872 3.310 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000414948678 380501875 /nfs/dbraw/zinc/50/18/75/380501875.db2.gz MNTFBDJLXLCMMM-UXLLHSPISA-N 1 3 260.425 3.046 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414948678 380501877 /nfs/dbraw/zinc/50/18/77/380501877.db2.gz MNTFBDJLXLCMMM-UXLLHSPISA-N 1 3 260.425 3.046 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CCN1 ZINC000414949545 380503083 /nfs/dbraw/zinc/50/30/83/380503083.db2.gz NPHREYGJUNCHBR-QWHCGFSZSA-N 1 3 252.446 3.321 20 0 CGADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCCCC(C)C)cc1 ZINC000414878253 380472973 /nfs/dbraw/zinc/47/29/73/380472973.db2.gz GWNYVHNHAHUCIH-ROUUACIJSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H]1[C@H]([NH2+]C[C@@]2(C)CCCNC2)C[C@@H]1c1ccccc1 ZINC000414899063 380479637 /nfs/dbraw/zinc/47/96/37/380479637.db2.gz CDFVMIUGFQCHNX-OWLYRPNTSA-N 1 3 272.436 3.158 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414905117 380483910 /nfs/dbraw/zinc/48/39/10/380483910.db2.gz MWSWKNIFEFEUKU-SQNIBIBYSA-N 1 3 272.436 3.363 20 0 CGADHO C[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C[C@@H]1C[NH3+] ZINC000420412743 380852060 /nfs/dbraw/zinc/85/20/60/380852060.db2.gz SPTHZGQJDQWAON-HACGYAERSA-N 1 3 276.399 3.120 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)[C@H]1CCCOC1 ZINC000356879436 380915643 /nfs/dbraw/zinc/91/56/43/380915643.db2.gz TVOTWHYWQSDQET-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO Clc1ccccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357052470 381013422 /nfs/dbraw/zinc/01/34/22/381013422.db2.gz NRYAFEBQGBJRCK-AWEZNQCLSA-N 1 3 278.827 3.162 20 0 CGADHO COC1(C[NH2+]CC(C)(C)CN2CCCC2)CCCCC1 ZINC000360176990 381467448 /nfs/dbraw/zinc/46/74/48/381467448.db2.gz FRXWLTYMTOGGRE-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO COC1(CNCC(C)(C)C[NH+]2CCCC2)CCCCC1 ZINC000360176990 381467455 /nfs/dbraw/zinc/46/74/55/381467455.db2.gz FRXWLTYMTOGGRE-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423274535 533060684 /nfs/dbraw/zinc/06/06/84/533060684.db2.gz MFDMYQRVFNTXMF-OUCADQQQSA-N 1 3 264.438 3.187 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353775272 220321650 /nfs/dbraw/zinc/32/16/50/220321650.db2.gz KZYKSYCPJJRNQF-ZQIUZPCESA-N 1 3 276.424 3.076 20 0 CGADHO COCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000367237278 533141039 /nfs/dbraw/zinc/14/10/39/533141039.db2.gz KDZLJSVLLGQRDU-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c2ccccc2n1 ZINC000319356289 542439662 /nfs/dbraw/zinc/43/96/62/542439662.db2.gz UNCZRDCZUFGREQ-LPHOPBHVSA-N 1 3 295.430 3.104 20 0 CGADHO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c2ccccc2n1 ZINC000319356289 542439665 /nfs/dbraw/zinc/43/96/65/542439665.db2.gz UNCZRDCZUFGREQ-LPHOPBHVSA-N 1 3 295.430 3.104 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c2ccccc2n1 ZINC000319356289 542439668 /nfs/dbraw/zinc/43/96/68/542439668.db2.gz UNCZRDCZUFGREQ-LPHOPBHVSA-N 1 3 295.430 3.104 20 0 CGADHO COc1ccc2cc([C@@H](C)[NH2+]C[C@H](N)C3CC3)ccc2c1 ZINC000423339192 533335320 /nfs/dbraw/zinc/33/53/20/533335320.db2.gz ZIJPTTKDUHYAGJ-XIKOKIGWSA-N 1 3 284.403 3.236 20 0 CGADHO COc1ccc2cc([C@H](C)NC[C@H](C)C[NH3+])ccc2c1 ZINC000423295568 533336766 /nfs/dbraw/zinc/33/67/66/533336766.db2.gz FFWUNMIJEBZULW-OLZOCXBDSA-N 1 3 272.392 3.094 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCNC[C@@H]3C)ccc2c1 ZINC000423384498 533337888 /nfs/dbraw/zinc/33/78/88/533337888.db2.gz GABXUFLCJRTYCG-NJSLBKSFSA-N 1 3 298.430 3.497 20 0 CGADHO C[C@@H](NCC1([NH3+])CCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423329931 533361286 /nfs/dbraw/zinc/36/12/86/533361286.db2.gz OZDQUMIWNNJXHS-OUAUKWLOSA-N 1 3 284.856 3.365 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000423365246 533449862 /nfs/dbraw/zinc/44/98/62/533449862.db2.gz WHRXWPGOBOFNJR-CYBMUJFWSA-N 1 3 258.409 3.348 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(F)c2ccccc21 ZINC000423331782 533412675 /nfs/dbraw/zinc/41/26/75/533412675.db2.gz UVSDIEILCBQWAO-PIGZYNQJSA-N 1 3 272.367 3.367 20 0 CGADHO C[C@@H](NC[C@H]([NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423328074 533429751 /nfs/dbraw/zinc/42/97/51/533429751.db2.gz RXQZWWHFIIRJHG-KLHWPWHYSA-N 1 3 284.856 3.220 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CCOCC1 ZINC000544373251 288843597 /nfs/dbraw/zinc/84/35/97/288843597.db2.gz LFASDIHNWPXOKD-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]3C3CC3)CC2)ccn1 ZINC000414482499 285442377 /nfs/dbraw/zinc/44/23/77/285442377.db2.gz LVEIZTDOPGQSRF-QFBILLFUSA-N 1 3 299.462 3.466 20 0 CGADHO CC(C)(CCN1CCC([NH2+]CC2CC2)CC1)C1CC1 ZINC000406103345 542628077 /nfs/dbraw/zinc/62/80/77/542628077.db2.gz JFFLNMAPOVPPMV-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO C[NH+](C)CCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000045663094 391989218 /nfs/dbraw/zinc/98/92/18/391989218.db2.gz YDUKXSBTOWWFIX-GOSISDBHSA-N 1 3 283.419 3.102 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)C1CCCC1 ZINC000054077748 392088832 /nfs/dbraw/zinc/08/88/32/392088832.db2.gz IIDDUJGPXHPEMQ-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2C[NH2+]C2CCNCC2)cc1 ZINC000423155806 285487764 /nfs/dbraw/zinc/48/77/64/285487764.db2.gz LTDJTLRBDWZPBC-AEFFLSMTSA-N 1 3 272.436 3.302 20 0 CGADHO c1ccc2c(c1)C=C(C[NH2+]C1CCN(C3CCC3)CC1)CO2 ZINC000263841032 131344357 /nfs/dbraw/zinc/34/43/57/131344357.db2.gz YEAFZKQDNWLFNP-UHFFFAOYSA-N 1 3 298.430 3.069 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000173786142 392629268 /nfs/dbraw/zinc/62/92/68/392629268.db2.gz NXEYZKHULFSHBM-DLBZAZTESA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000173786142 392629270 /nfs/dbraw/zinc/62/92/70/392629270.db2.gz NXEYZKHULFSHBM-DLBZAZTESA-N 1 3 272.436 3.474 20 0 CGADHO CC(C)(C)O[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000647343604 392691876 /nfs/dbraw/zinc/69/18/76/392691876.db2.gz XJDWLLBGSVJNGQ-GASCZTMLSA-N 1 3 282.472 3.185 20 0 CGADHO C(CN1CCC[C@H](C[C@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000375244473 392752705 /nfs/dbraw/zinc/75/27/05/392752705.db2.gz GPHQLMVHDXEJDN-QZTJIDSGSA-N 1 3 294.483 3.001 20 0 CGADHO Clc1cscc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545744 392762727 /nfs/dbraw/zinc/76/27/27/392762727.db2.gz LBYHAQVCMJPCLW-VXGBXAGGSA-N 1 3 284.856 3.223 20 0 CGADHO CC[C@H]1CN(CCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936895 392837949 /nfs/dbraw/zinc/83/79/49/392837949.db2.gz MXKUIWSIRWNHBH-XJKSGUPXSA-N 1 3 296.842 3.168 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375474126 392784932 /nfs/dbraw/zinc/78/49/32/392784932.db2.gz PQRYOGOJJSXQIG-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO CCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375474126 392784942 /nfs/dbraw/zinc/78/49/42/392784942.db2.gz PQRYOGOJJSXQIG-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO CCOc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000375474126 392784947 /nfs/dbraw/zinc/78/49/47/392784947.db2.gz PQRYOGOJJSXQIG-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389340 392796626 /nfs/dbraw/zinc/79/66/26/392796626.db2.gz MLPNKVCVGVTUGV-KDOFPFPSSA-N 1 3 290.426 3.477 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389340 392796627 /nfs/dbraw/zinc/79/66/27/392796627.db2.gz MLPNKVCVGVTUGV-KDOFPFPSSA-N 1 3 290.426 3.477 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1cc2c(s1)CCCC2 ZINC000335569313 392799098 /nfs/dbraw/zinc/79/90/98/392799098.db2.gz UVIUNRQFDLVVLW-NSHDSACASA-N 1 3 264.438 3.030 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647800778 392803788 /nfs/dbraw/zinc/80/37/88/392803788.db2.gz KMGRHAYBUSWEOE-FVVUREQNSA-N 1 3 284.447 3.300 20 0 CGADHO c1cc2c(ccnc2N2CCC[N@@H+](C3CCCC3)CC2)[nH]1 ZINC000647868798 392816925 /nfs/dbraw/zinc/81/69/25/392816925.db2.gz KSSVKPAKGCAGHH-UHFFFAOYSA-N 1 3 284.407 3.018 20 0 CGADHO c1cc2c(ccnc2N2CCC[N@H+](C3CCCC3)CC2)[nH]1 ZINC000647868798 392816926 /nfs/dbraw/zinc/81/69/26/392816926.db2.gz KSSVKPAKGCAGHH-UHFFFAOYSA-N 1 3 284.407 3.018 20 0 CGADHO CN(Cc1ccccc1-c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880963 392823015 /nfs/dbraw/zinc/82/30/15/392823015.db2.gz JGNLRJXXNANOFJ-INIZCTEOSA-N 1 3 280.415 3.395 20 0 CGADHO Fc1cccc(CCCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902930 392829084 /nfs/dbraw/zinc/82/90/84/392829084.db2.gz DPQCAEZVTDWYJT-SJLPKXTDSA-N 1 3 290.426 3.222 20 0 CGADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC)cc1 ZINC000519707499 392884963 /nfs/dbraw/zinc/88/49/63/392884963.db2.gz BNVBOBBANRNWGJ-SFHVURJKSA-N 1 3 284.403 3.395 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000512325261 392850782 /nfs/dbraw/zinc/85/07/82/392850782.db2.gz VFXXQUBBALMKFW-QRTARXTBSA-N 1 3 264.457 3.418 20 0 CGADHO Clc1ccccc1C1(NCCC2CC[NH2+]CC2)CC1 ZINC000647995380 392860454 /nfs/dbraw/zinc/86/04/54/392860454.db2.gz SMCNUXQZGSPJQZ-UHFFFAOYSA-N 1 3 278.827 3.308 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337363313 392881071 /nfs/dbraw/zinc/88/10/71/392881071.db2.gz AHQCAZJZXZQVQP-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000340440629 392972420 /nfs/dbraw/zinc/97/24/20/392972420.db2.gz PVCBNEXYFHRPCC-FCGDIQPGSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000340440629 392972425 /nfs/dbraw/zinc/97/24/25/392972425.db2.gz PVCBNEXYFHRPCC-FCGDIQPGSA-N 1 3 284.447 3.397 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000231720443 393025157 /nfs/dbraw/zinc/02/51/57/393025157.db2.gz KNRDCRCRFMDVFS-UHFFFAOYSA-N 1 3 280.378 3.427 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000248199438 393083939 /nfs/dbraw/zinc/08/39/39/393083939.db2.gz YDGYQYSEHDJGFS-BZPMIXESSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3sccc32)CC[N@H+]1C ZINC000248199438 393083943 /nfs/dbraw/zinc/08/39/43/393083943.db2.gz YDGYQYSEHDJGFS-BZPMIXESSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC000346356145 393085350 /nfs/dbraw/zinc/08/53/50/393085350.db2.gz CPUYAVMHZYXEOM-NUJGCVRESA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414956974 393064881 /nfs/dbraw/zinc/06/48/81/393064881.db2.gz QMVPUPXJRRUZJD-ZMSDIMECSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1cc(F)c(CNCCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414961582 393066384 /nfs/dbraw/zinc/06/63/84/393066384.db2.gz ISFPGNDQLMDNJF-LBPRGKRZSA-N 1 3 284.806 3.409 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414978191 393076429 /nfs/dbraw/zinc/07/64/29/393076429.db2.gz SMGYQCASZFDRNY-KRWDZBQOSA-N 1 3 268.404 3.318 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2c(F)cccc2Cl)C1 ZINC000414984355 393079422 /nfs/dbraw/zinc/07/94/22/393079422.db2.gz AFZOHCHUKWVMCN-WDEREUQCSA-N 1 3 270.779 3.086 20 0 CGADHO CSC1(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000347847692 393110268 /nfs/dbraw/zinc/11/02/68/393110268.db2.gz PIHUKCCSTYSRDK-HZPDHXFCSA-N 1 3 296.524 3.468 20 0 CGADHO CSC1(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000347847692 393110272 /nfs/dbraw/zinc/11/02/72/393110272.db2.gz PIHUKCCSTYSRDK-HZPDHXFCSA-N 1 3 296.524 3.468 20 0 CGADHO [NH3+]CCC[C@H](NCc1ccccc1)c1ccccc1 ZINC000415052379 393114721 /nfs/dbraw/zinc/11/47/21/393114721.db2.gz KXASHRHPUJXCBY-KRWDZBQOSA-N 1 3 254.377 3.256 20 0 CGADHO CCc1ncc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415057587 393119019 /nfs/dbraw/zinc/11/90/19/393119019.db2.gz RSZQMFDNALEFER-HNNXBMFYSA-N 1 3 289.448 3.275 20 0 CGADHO c1oc2ccccc2c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057502 393120008 /nfs/dbraw/zinc/12/00/08/393120008.db2.gz UPPWAJRJPIPEAY-RHSMWYFYSA-N 1 3 284.403 3.397 20 0 CGADHO [NH3+]CC1CCC(NCc2c(F)cccc2Cl)CC1 ZINC000415080383 393134847 /nfs/dbraw/zinc/13/48/47/393134847.db2.gz JCXZEIAVJDHXHA-UHFFFAOYSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@@H](C[NH2+]C1CCNCC1)c1c(Cl)cccc1Cl ZINC000415081938 393135947 /nfs/dbraw/zinc/13/59/47/393135947.db2.gz LKIHVJAETQBSEW-JTQLQIEISA-N 1 3 287.234 3.439 20 0 CGADHO C[C@@H](CNC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415081938 393135951 /nfs/dbraw/zinc/13/59/51/393135951.db2.gz LKIHVJAETQBSEW-JTQLQIEISA-N 1 3 287.234 3.439 20 0 CGADHO c1csc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415083902 393136740 /nfs/dbraw/zinc/13/67/40/393136740.db2.gz GCCXVZIRNLTFNR-HOCLYGCPSA-N 1 3 272.417 3.331 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(Br)cc1 ZINC000261563276 393141623 /nfs/dbraw/zinc/14/16/23/393141623.db2.gz WXDPHRUCIVOAMB-SUNKGSAMSA-N 1 3 297.240 3.098 20 0 CGADHO Cc1ccccc1C1(C[NH2+]CCNC(C)(C)C)CC1 ZINC000415118222 393149026 /nfs/dbraw/zinc/14/90/26/393149026.db2.gz WEANFAXPDLOHTA-UHFFFAOYSA-N 1 3 260.425 3.004 20 0 CGADHO c1ccc([C@@H]2C[N@@H+](C[C@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130167 393153519 /nfs/dbraw/zinc/15/35/19/393153519.db2.gz WDEVNZCADLHOLN-WMZOPIPTSA-N 1 3 284.447 3.256 20 0 CGADHO c1ccc([C@@H]2C[N@H+](C[C@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130167 393153525 /nfs/dbraw/zinc/15/35/25/393153525.db2.gz WDEVNZCADLHOLN-WMZOPIPTSA-N 1 3 284.447 3.256 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000470300762 393239118 /nfs/dbraw/zinc/23/91/18/393239118.db2.gz XFBBTINLTBVXPU-RBUKOAKNSA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000470300762 393239128 /nfs/dbraw/zinc/23/91/28/393239128.db2.gz XFBBTINLTBVXPU-RBUKOAKNSA-N 1 3 286.463 3.379 20 0 CGADHO CCC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000471835232 393315478 /nfs/dbraw/zinc/31/54/78/393315478.db2.gz UXCXKTIFHYOXRP-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO CCC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000471835232 393315483 /nfs/dbraw/zinc/31/54/83/393315483.db2.gz UXCXKTIFHYOXRP-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000647230279 393400387 /nfs/dbraw/zinc/40/03/87/393400387.db2.gz SSXCQMKPBNBIBT-XMTFNYHQSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000647230279 393400390 /nfs/dbraw/zinc/40/03/90/393400390.db2.gz SSXCQMKPBNBIBT-XMTFNYHQSA-N 1 3 270.420 3.007 20 0 CGADHO CCCC[C@H](COC)[NH2+]CCCN1CCCC[C@H]1C ZINC000479900759 393434486 /nfs/dbraw/zinc/43/44/86/393434486.db2.gz KXVVWERHAKJBID-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@H](COC)NCCC[N@@H+]1CCCC[C@H]1C ZINC000479900759 393434488 /nfs/dbraw/zinc/43/44/88/393434488.db2.gz KXVVWERHAKJBID-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@H](COC)NCCC[N@H+]1CCCC[C@H]1C ZINC000479900759 393434490 /nfs/dbraw/zinc/43/44/90/393434490.db2.gz KXVVWERHAKJBID-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@@H](C)C2 ZINC000425941529 393445822 /nfs/dbraw/zinc/44/58/22/393445822.db2.gz BVBAHVNWSJOWKP-JKIFEVAISA-N 1 3 260.425 3.016 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH+](C)C)[C@@H](C)C2 ZINC000425941529 393445826 /nfs/dbraw/zinc/44/58/26/393445826.db2.gz BVBAHVNWSJOWKP-JKIFEVAISA-N 1 3 260.425 3.016 20 0 CGADHO CCC[C@@H]1CCCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296368 393453873 /nfs/dbraw/zinc/45/38/73/393453873.db2.gz DKJGAHKRCCREDS-NVXWUHKLSA-N 1 3 290.451 3.250 20 0 CGADHO c1c2c(oc1-c1ccccc1)CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000420303842 393457649 /nfs/dbraw/zinc/45/76/49/393457649.db2.gz NQRZLSVJIJCOJL-OAHLLOKOSA-N 1 3 296.414 3.304 20 0 CGADHO CSc1ccccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392629 393482875 /nfs/dbraw/zinc/48/28/75/393482875.db2.gz IZVSOCGRSVOULW-ZBFHGGJFSA-N 1 3 290.476 3.373 20 0 CGADHO CC[C@H](OCC[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000649530719 393467140 /nfs/dbraw/zinc/46/71/40/393467140.db2.gz GDXYGZRQNQCKLE-WMZOPIPTSA-N 1 3 290.451 3.038 20 0 CGADHO CC[C@H](OCC[N@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000649530719 393467142 /nfs/dbraw/zinc/46/71/42/393467142.db2.gz GDXYGZRQNQCKLE-WMZOPIPTSA-N 1 3 290.451 3.038 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329673 393469790 /nfs/dbraw/zinc/46/97/90/393469790.db2.gz OROZAEWRFBWMAT-HZSPNIEDSA-N 1 3 294.389 3.347 20 0 CGADHO CC[C@@H](NCCC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000420420710 393485886 /nfs/dbraw/zinc/48/58/86/393485886.db2.gz YIBSCXIFNVFOKR-MRXNPFEDSA-N 1 3 282.378 3.395 20 0 CGADHO COc1cccc([C@H](C)N2CCC(C[NH+](C)C)CC2)c1 ZINC000488417176 393505018 /nfs/dbraw/zinc/50/50/18/393505018.db2.gz RMZTUHVCRNOXRJ-AWEZNQCLSA-N 1 3 276.424 3.030 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)CS1 ZINC000488449058 393518642 /nfs/dbraw/zinc/51/86/42/393518642.db2.gz OOWVVEDEIJEGLR-CVEARBPZSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)CS1 ZINC000488449058 393518647 /nfs/dbraw/zinc/51/86/47/393518647.db2.gz OOWVVEDEIJEGLR-CVEARBPZSA-N 1 3 284.513 3.228 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCc2ccc(Cl)cc2)C1 ZINC000430565496 393576602 /nfs/dbraw/zinc/57/66/02/393576602.db2.gz AMPXUJKYNBCNBV-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCCOc1cccc2ccccc21 ZINC000430576631 393578902 /nfs/dbraw/zinc/57/89/02/393578902.db2.gz SPCUCSGKBSLVTB-GOSISDBHSA-N 1 3 286.419 3.182 20 0 CGADHO CC(C)[C@@H]1CCN(CCC[N@@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250993 393581373 /nfs/dbraw/zinc/58/13/73/393581373.db2.gz CZOHTYIWCJOXEX-IAGOWNOFSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)[C@@H]1CCN(CCC[N@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000489250993 393581374 /nfs/dbraw/zinc/58/13/74/393581374.db2.gz CZOHTYIWCJOXEX-IAGOWNOFSA-N 1 3 266.473 3.332 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000424375226 393682298 /nfs/dbraw/zinc/68/22/98/393682298.db2.gz JYNSPBZVDCXCEO-JJXSEGSLSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN1 ZINC000424375226 393682300 /nfs/dbraw/zinc/68/23/00/393682300.db2.gz JYNSPBZVDCXCEO-JJXSEGSLSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422717739 393641022 /nfs/dbraw/zinc/64/10/22/393641022.db2.gz PATIYPSMIDAVFZ-WCVJEAGWSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422820243 393644420 /nfs/dbraw/zinc/64/44/20/393644420.db2.gz PPDSRVQYKSYSSF-XDQVBPFNSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000422894480 393645387 /nfs/dbraw/zinc/64/53/87/393645387.db2.gz CKFGLEWMIREGGH-XJNFMUPTSA-N 1 3 260.425 3.428 20 0 CGADHO CC(C)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])Nc1ccccc1 ZINC000422978734 393647232 /nfs/dbraw/zinc/64/72/32/393647232.db2.gz KKMHZPWAMQMYJH-SQNIBIBYSA-N 1 3 289.467 3.373 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422983228 393647414 /nfs/dbraw/zinc/64/74/14/393647414.db2.gz YZOCITKKFIQPRK-JKSUJKDBSA-N 1 3 276.424 3.052 20 0 CGADHO CC1(C)CC[C@@H](C[NH2+]C2CCNCC2)c2ccccc21 ZINC000423016823 393647996 /nfs/dbraw/zinc/64/79/96/393647996.db2.gz NIZGCZBSOHCVEU-AWEZNQCLSA-N 1 3 272.436 3.183 20 0 CGADHO CC1(C)CC[C@@H](CNC2CC[NH2+]CC2)c2ccccc21 ZINC000423016823 393647997 /nfs/dbraw/zinc/64/79/97/393647997.db2.gz NIZGCZBSOHCVEU-AWEZNQCLSA-N 1 3 272.436 3.183 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423033593 393649254 /nfs/dbraw/zinc/64/92/54/393649254.db2.gz ZINYLOYIOYLVKF-ZCPGHIKRSA-N 1 3 288.435 3.315 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CCO1 ZINC000423046635 393649712 /nfs/dbraw/zinc/64/97/12/393649712.db2.gz UHRQJKVZMRRZCS-YVSFHVDLSA-N 1 3 282.472 3.077 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423270643 393657162 /nfs/dbraw/zinc/65/71/62/393657162.db2.gz IHMMAHWBRKNDEN-RDJZCZTQSA-N 1 3 274.452 3.460 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@H](NCC[C@H]1CCC[NH2+]C1)CC2 ZINC000423274561 393657671 /nfs/dbraw/zinc/65/76/71/393657671.db2.gz MATHDUZQBWEAAC-ZWNOBZJWSA-N 1 3 298.352 3.071 20 0 CGADHO CC(C)(N)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423289602 393659284 /nfs/dbraw/zinc/65/92/84/393659284.db2.gz XVGYYJSERLBERX-ZDUSSCGKSA-N 1 3 252.789 3.044 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000423369144 393663654 /nfs/dbraw/zinc/66/36/54/393663654.db2.gz SNZLDELOYFXBSF-SJORKVTESA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C[C@H]1C ZINC000423400485 393665339 /nfs/dbraw/zinc/66/53/39/393665339.db2.gz VNNUAAVZVUFIEI-XNJGSVPQSA-N 1 3 258.409 3.204 20 0 CGADHO CC[C@@H](c1ccccc1OC)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508393 393672006 /nfs/dbraw/zinc/67/20/06/393672006.db2.gz LBOGPWWLBPYYCQ-UKPHBRMFSA-N 1 3 276.424 3.063 20 0 CGADHO CC[C@@H](c1ccccc1OC)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508393 393672012 /nfs/dbraw/zinc/67/20/12/393672012.db2.gz LBOGPWWLBPYYCQ-UKPHBRMFSA-N 1 3 276.424 3.063 20 0 CGADHO CC[C@@H](c1ccccc1OC)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423508393 393672017 /nfs/dbraw/zinc/67/20/17/393672017.db2.gz LBOGPWWLBPYYCQ-UKPHBRMFSA-N 1 3 276.424 3.063 20 0 CGADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCNC ZINC000435872248 393715845 /nfs/dbraw/zinc/71/58/45/393715845.db2.gz XQEDSKKATMRWLK-IRXDYDNUSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCNC ZINC000435872248 393715849 /nfs/dbraw/zinc/71/58/49/393715849.db2.gz XQEDSKKATMRWLK-IRXDYDNUSA-N 1 3 260.425 3.254 20 0 CGADHO c1nc(CN[C@@H]2CC23CC[NH2+]CC3)sc1-c1ccccc1 ZINC000666954071 542828825 /nfs/dbraw/zinc/82/88/25/542828825.db2.gz PCCFVXPYNOUDNN-OAHLLOKOSA-N 1 3 299.443 3.042 20 0 CGADHO CSc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)s1 ZINC000449559717 393902533 /nfs/dbraw/zinc/90/25/33/393902533.db2.gz COOSMBBLZXJAOI-YOGCLGLASA-N 1 3 282.478 3.185 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995484 542833556 /nfs/dbraw/zinc/83/35/56/542833556.db2.gz OYIOCRZFPKSXJB-SOUVJXGZSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995482 542834035 /nfs/dbraw/zinc/83/40/35/542834035.db2.gz OYIOCRZFPKSXJB-KKUMJFAQSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666997091 542834646 /nfs/dbraw/zinc/83/46/46/542834646.db2.gz WOTQQSJCIXBHHJ-RBSFLKMASA-N 1 3 250.430 3.077 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000666998338 542834653 /nfs/dbraw/zinc/83/46/53/542834653.db2.gz OITOUDRVKUUYGU-MRXNPFEDSA-N 1 3 272.436 3.376 20 0 CGADHO CCc1ccc(C[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666999382 542835068 /nfs/dbraw/zinc/83/50/68/542835068.db2.gz APNUKQRNEJJHNI-INIZCTEOSA-N 1 3 258.409 3.013 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449644034 393933714 /nfs/dbraw/zinc/93/37/14/393933714.db2.gz ZSMYQWKPOCFIDG-BGTYHANMSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449644034 393933715 /nfs/dbraw/zinc/93/37/15/393933715.db2.gz ZSMYQWKPOCFIDG-BGTYHANMSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000453056405 394155360 /nfs/dbraw/zinc/15/53/60/394155360.db2.gz BXSNKCKEILHBQZ-BPQIPLTHSA-N 1 3 287.451 3.009 20 0 CGADHO COc1cccc(Cl)c1CNCCCC[N@H+](C)C1CC1 ZINC000453603353 394255989 /nfs/dbraw/zinc/25/59/89/394255989.db2.gz XTOAFVLEKGAJTL-UHFFFAOYSA-N 1 3 296.842 3.313 20 0 CGADHO COc1cccc(Cl)c1CNCCCC[N@@H+](C)C1CC1 ZINC000453603353 394255991 /nfs/dbraw/zinc/25/59/91/394255991.db2.gz XTOAFVLEKGAJTL-UHFFFAOYSA-N 1 3 296.842 3.313 20 0 CGADHO CC(C)c1cnc(CNCCCC[N@H+](C)C2CC2)s1 ZINC000453605022 394256459 /nfs/dbraw/zinc/25/64/59/394256459.db2.gz ZNBVMMJBSKLKEF-UHFFFAOYSA-N 1 3 281.469 3.231 20 0 CGADHO CC(C)c1cnc(CNCCCC[N@@H+](C)C2CC2)s1 ZINC000453605022 394256462 /nfs/dbraw/zinc/25/64/62/394256462.db2.gz ZNBVMMJBSKLKEF-UHFFFAOYSA-N 1 3 281.469 3.231 20 0 CGADHO c1cc(N2CCC([NH2+]CCCC3CCC3)CC2)ccn1 ZINC000668583270 543030469 /nfs/dbraw/zinc/03/04/69/543030469.db2.gz CPTWMPPUACQOOC-UHFFFAOYSA-N 1 3 273.424 3.220 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000668819928 543066540 /nfs/dbraw/zinc/06/65/40/543066540.db2.gz QQQDBOUXOKSZHI-RDJZCZTQSA-N 1 3 266.473 3.380 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670264867 543147311 /nfs/dbraw/zinc/14/73/11/543147311.db2.gz KTWKGJQKIPNZKJ-HUUCEWRRSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670264867 543147313 /nfs/dbraw/zinc/14/73/13/543147313.db2.gz KTWKGJQKIPNZKJ-HUUCEWRRSA-N 1 3 254.462 3.332 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccccc1OCCN(C)C)C(C)(C)C ZINC000670267281 543149230 /nfs/dbraw/zinc/14/92/30/543149230.db2.gz ZHNQPHOFQIAGGF-HNNXBMFYSA-N 1 3 292.467 3.399 20 0 CGADHO C[C@H]1CCCN(Cc2cccc(OC(F)F)c2)[C@H]1CC[NH3+] ZINC000650710944 397899067 /nfs/dbraw/zinc/89/90/67/397899067.db2.gz DGALQOMNFRKOGN-WFASDCNBSA-N 1 3 298.377 3.237 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC2 ZINC000650715356 397899905 /nfs/dbraw/zinc/89/99/05/397899905.db2.gz ZGGQBGKGZUZIIU-JCHJZTRSSA-N 1 3 284.447 3.493 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000650757140 397910713 /nfs/dbraw/zinc/91/07/13/397910713.db2.gz PSTLWEKUFGDKRN-IBGZPJMESA-N 1 3 296.414 3.279 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1cccc(OC)c1 ZINC000650759918 397911022 /nfs/dbraw/zinc/91/10/22/397911022.db2.gz TUBFJPUGLAMDFQ-AWEZNQCLSA-N 1 3 284.403 3.265 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2ccc(C)cc21 ZINC000650758694 397911147 /nfs/dbraw/zinc/91/11/47/397911147.db2.gz VVMHCJSRNHUIPH-IBGZPJMESA-N 1 3 280.415 3.492 20 0 CGADHO CCC(C)(C)CC[NH+]1CCN(c2ccncc2)CC1 ZINC000675499257 543344878 /nfs/dbraw/zinc/34/48/78/543344878.db2.gz DHNGFWSZWUIDJU-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000675779199 543364679 /nfs/dbraw/zinc/36/46/79/543364679.db2.gz RMSRTKTXEWTKGS-HUUCEWRRSA-N 1 3 290.451 3.324 20 0 CGADHO Cc1ccc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677235890 543440751 /nfs/dbraw/zinc/44/07/51/543440751.db2.gz JFHDXFFQUROAJO-RBUKOAKNSA-N 1 3 286.463 3.452 20 0 CGADHO Cc1ccc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677235890 543440753 /nfs/dbraw/zinc/44/07/53/543440753.db2.gz JFHDXFFQUROAJO-RBUKOAKNSA-N 1 3 286.463 3.452 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677238192 543440899 /nfs/dbraw/zinc/44/08/99/543440899.db2.gz WUTDCWGAIDOMCI-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677238192 543440901 /nfs/dbraw/zinc/44/09/01/543440901.db2.gz WUTDCWGAIDOMCI-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000372061090 286011496 /nfs/dbraw/zinc/01/14/96/286011496.db2.gz NZJRFNNHHHERPO-BPQIPLTHSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678271097 543506747 /nfs/dbraw/zinc/50/67/47/543506747.db2.gz NIVDKZONNVRNNV-HOTGVXAUSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678271097 543506750 /nfs/dbraw/zinc/50/67/50/543506750.db2.gz NIVDKZONNVRNNV-HOTGVXAUSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000678898798 543570377 /nfs/dbraw/zinc/57/03/77/543570377.db2.gz SUWQMLNOEBMGPJ-BHIYHBOVSA-N 1 3 286.463 3.472 20 0 CGADHO COCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCCC1 ZINC000449743299 292245621 /nfs/dbraw/zinc/24/56/21/292245621.db2.gz WLANLLPMLVSTGP-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)cc1 ZINC000422816568 286371577 /nfs/dbraw/zinc/37/15/77/286371577.db2.gz ATPTZBUQMBWBTC-JYYAWHABSA-N 1 3 290.451 3.165 20 0 CGADHO c1ccc([C@@H](NC[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423327697 304855332 /nfs/dbraw/zinc/85/53/32/304855332.db2.gz DEYKCDOLNFOVPP-WMLDXEAASA-N 1 3 258.409 3.117 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000422909379 298391688 /nfs/dbraw/zinc/39/16/88/298391688.db2.gz FTECFAHZIVZSGK-NEPJUHHUSA-N 1 3 281.469 3.190 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000270930055 287022482 /nfs/dbraw/zinc/02/24/82/287022482.db2.gz PUHOHMALWHEWTP-JKSUJKDBSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000270930055 287022483 /nfs/dbraw/zinc/02/24/83/287022483.db2.gz PUHOHMALWHEWTP-JKSUJKDBSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)C1CCC(F)(F)CC1 ZINC000353253154 287023904 /nfs/dbraw/zinc/02/39/04/287023904.db2.gz VIKLLGZIODHYQM-CYBMUJFWSA-N 1 3 274.399 3.276 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)C1CNC1 ZINC000423194129 287062363 /nfs/dbraw/zinc/06/23/63/287062363.db2.gz WNGTXPFSCCABTB-MMNPAVHPSA-N 1 3 272.436 3.156 20 0 CGADHO CSc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148748 165197946 /nfs/dbraw/zinc/19/79/46/165197946.db2.gz QAMYKWKGCKVLSY-LNSITVRQSA-N 1 3 264.438 3.187 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423348944 287107135 /nfs/dbraw/zinc/10/71/35/287107135.db2.gz UYASIIZYNQFYRQ-FZKCQIBNSA-N 1 3 252.446 3.181 20 0 CGADHO CCOc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000092380890 165294912 /nfs/dbraw/zinc/29/49/12/165294912.db2.gz QZPYYNGVDAZVMC-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000093210061 165326330 /nfs/dbraw/zinc/32/63/30/165326330.db2.gz MDNCYCABCKXXLX-LEWSCRJBSA-N 1 3 252.789 3.261 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(C2CC2)cc1 ZINC000094522148 165352294 /nfs/dbraw/zinc/35/22/94/165352294.db2.gz UDTJTZCRBBYJMJ-KRWDZBQOSA-N 1 3 258.409 3.267 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639027 287118012 /nfs/dbraw/zinc/11/80/12/287118012.db2.gz AAJKEEOBGAXFPV-CRAIPNDOSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639027 287118014 /nfs/dbraw/zinc/11/80/14/287118014.db2.gz AAJKEEOBGAXFPV-CRAIPNDOSA-N 1 3 274.452 3.466 20 0 CGADHO C[C@@H]1CN(CC2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000112697557 287144114 /nfs/dbraw/zinc/14/41/14/287144114.db2.gz DXSCFKMJSQQCII-IYBDPMFKSA-N 1 3 296.499 3.244 20 0 CGADHO C[NH+]1CCC(CCNCc2cc(Cl)ccc2F)CC1 ZINC000119082373 287164723 /nfs/dbraw/zinc/16/47/23/287164723.db2.gz HNPYGXAGIXBZMF-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(F)cc1 ZINC000020128779 171016602 /nfs/dbraw/zinc/01/66/02/171016602.db2.gz SQSYDEIPMCHKDH-CQSZACIVSA-N 1 3 264.388 3.352 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000038098016 174112881 /nfs/dbraw/zinc/11/28/81/174112881.db2.gz QIWXDRYGPRHTAJ-AWEZNQCLSA-N 1 3 272.436 3.310 20 0 CGADHO NC[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000044539866 175200832 /nfs/dbraw/zinc/20/08/32/175200832.db2.gz PGGPXZWRCQDYTN-KRWDZBQOSA-N 1 3 254.377 3.153 20 0 CGADHO NC[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000044539866 175200833 /nfs/dbraw/zinc/20/08/33/175200833.db2.gz PGGPXZWRCQDYTN-KRWDZBQOSA-N 1 3 254.377 3.153 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000432423801 287311346 /nfs/dbraw/zinc/31/13/46/287311346.db2.gz LCYCJHBHILTCQA-XYVMCAHJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422817403 298962654 /nfs/dbraw/zinc/96/26/54/298962654.db2.gz HOGNFPNNNXSQAN-BJDJZHNGSA-N 1 3 266.351 3.071 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCSc2ccccc21 ZINC000129030344 287323013 /nfs/dbraw/zinc/32/30/13/287323013.db2.gz XYQDMUVCWYDRLA-VHDGCEQUSA-N 1 3 276.449 3.153 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCSc2ccccc21 ZINC000129030344 287323014 /nfs/dbraw/zinc/32/30/14/287323014.db2.gz XYQDMUVCWYDRLA-VHDGCEQUSA-N 1 3 276.449 3.153 20 0 CGADHO CC[C@@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358788 416491653 /nfs/dbraw/zinc/49/16/53/416491653.db2.gz KMNGYWNMUSCQMK-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358788 416491658 /nfs/dbraw/zinc/49/16/58/416491658.db2.gz KMNGYWNMUSCQMK-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358788 416491661 /nfs/dbraw/zinc/49/16/61/416491661.db2.gz KMNGYWNMUSCQMK-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO CCCOc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000314345962 416537795 /nfs/dbraw/zinc/53/77/95/416537795.db2.gz LZCMXKFXRMTYHW-WMZOPIPTSA-N 1 3 288.435 3.036 20 0 CGADHO CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000314345962 416537798 /nfs/dbraw/zinc/53/77/98/416537798.db2.gz LZCMXKFXRMTYHW-WMZOPIPTSA-N 1 3 288.435 3.036 20 0 CGADHO CCCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000314345962 416537802 /nfs/dbraw/zinc/53/78/02/416537802.db2.gz LZCMXKFXRMTYHW-WMZOPIPTSA-N 1 3 288.435 3.036 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000400174455 416545266 /nfs/dbraw/zinc/54/52/66/416545266.db2.gz OYRWNITZXFXWHD-GADNRMJZSA-N 1 3 262.441 3.029 20 0 CGADHO Cc1cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000404429442 416553407 /nfs/dbraw/zinc/55/34/07/416553407.db2.gz NRAXPJILXOLECQ-NHYWBVRUSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CCN)c(C)s1 ZINC000404429442 416553408 /nfs/dbraw/zinc/55/34/08/416553408.db2.gz NRAXPJILXOLECQ-NHYWBVRUSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)c(C)s1 ZINC000404429442 416553411 /nfs/dbraw/zinc/55/34/11/416553411.db2.gz NRAXPJILXOLECQ-NHYWBVRUSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000404429441 416554362 /nfs/dbraw/zinc/55/43/62/416554362.db2.gz NRAXPJILXOLECQ-IAQYHMDHSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCN)c(C)s1 ZINC000404429441 416554367 /nfs/dbraw/zinc/55/43/67/416554367.db2.gz NRAXPJILXOLECQ-IAQYHMDHSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)c(C)s1 ZINC000404429441 416554373 /nfs/dbraw/zinc/55/43/73/416554373.db2.gz NRAXPJILXOLECQ-IAQYHMDHSA-N 1 3 266.454 3.314 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000131128047 287371374 /nfs/dbraw/zinc/37/13/74/287371374.db2.gz VMNBIPWUXJCWEE-CJNGLKHVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NCC(C)(C)C[NH+](C)C ZINC000132129151 287397537 /nfs/dbraw/zinc/39/75/37/287397537.db2.gz JSSVYYSLQXRQIV-CJNGLKHVSA-N 1 3 260.425 3.097 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927927 543954895 /nfs/dbraw/zinc/95/48/95/543954895.db2.gz RTIAXCUGVFWFHY-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000685455669 544073820 /nfs/dbraw/zinc/07/38/20/544073820.db2.gz GFOAADMKRRGNFD-HUUCEWRRSA-N 1 3 280.481 3.389 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C\c2ccccc2)C1 ZINC000685470892 544078980 /nfs/dbraw/zinc/07/89/80/544078980.db2.gz ZXVORFREIFDGQP-PFCGEZNBSA-N 1 3 270.420 3.116 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C\c2ccccc2)C1 ZINC000685470892 544078983 /nfs/dbraw/zinc/07/89/83/544078983.db2.gz ZXVORFREIFDGQP-PFCGEZNBSA-N 1 3 270.420 3.116 20 0 CGADHO c1cnc2c(c1)CCC[C@H]2NCC1CC[NH+](CC2CC2)CC1 ZINC000658354207 418948597 /nfs/dbraw/zinc/94/85/97/418948597.db2.gz XVUHXGAIQHLYLL-GOSISDBHSA-N 1 3 299.462 3.171 20 0 CGADHO Cc1ccc([C@@H](C)NCC2CC[NH+](CC3CC3)CC2)o1 ZINC000658358844 418950541 /nfs/dbraw/zinc/95/05/41/418950541.db2.gz ZDHIQHUABQVWGA-CQSZACIVSA-N 1 3 276.424 3.361 20 0 CGADHO c1ccc2c(c1)nccc2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664678314 418992592 /nfs/dbraw/zinc/99/25/92/418992592.db2.gz HBWJCERCEIXQRZ-MRXNPFEDSA-N 1 3 295.430 3.191 20 0 CGADHO c1ccc2c(c1)nccc2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678314 418992595 /nfs/dbraw/zinc/99/25/95/418992595.db2.gz HBWJCERCEIXQRZ-MRXNPFEDSA-N 1 3 295.430 3.191 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1nsc2ccccc21 ZINC000665275717 419099601 /nfs/dbraw/zinc/09/96/01/419099601.db2.gz PUYXEQRUWPFALH-ZFWWWQNUSA-N 1 3 289.448 3.088 20 0 CGADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279416 419101409 /nfs/dbraw/zinc/10/14/09/419101409.db2.gz BXWOUNJCIQMKAK-FXMPHUBISA-N 1 3 290.838 3.318 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000665281585 419102592 /nfs/dbraw/zinc/10/25/92/419102592.db2.gz HEJWRMGSJGIDNP-YESZJQIVSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000665281585 419102593 /nfs/dbraw/zinc/10/25/93/419102593.db2.gz HEJWRMGSJGIDNP-YESZJQIVSA-N 1 3 260.425 3.286 20 0 CGADHO C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CCCN1 ZINC000665282730 419103307 /nfs/dbraw/zinc/10/33/07/419103307.db2.gz APCYGKICAWOMEK-HOJRLLLISA-N 1 3 250.430 3.075 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283629 419104270 /nfs/dbraw/zinc/10/42/70/419104270.db2.gz RJCKTYOYWVVENC-WNRNVDISSA-N 1 3 294.483 3.092 20 0 CGADHO CNC[C@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000665296253 419109282 /nfs/dbraw/zinc/10/92/82/419109282.db2.gz PJBOMXHVTKAKSW-SMDDNHRTSA-N 1 3 252.427 3.177 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989736 419056082 /nfs/dbraw/zinc/05/60/82/419056082.db2.gz SDAFMHQWVMZTJC-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989736 419056085 /nfs/dbraw/zinc/05/60/85/419056085.db2.gz SDAFMHQWVMZTJC-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659989736 419056089 /nfs/dbraw/zinc/05/60/89/419056089.db2.gz SDAFMHQWVMZTJC-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659989736 419056092 /nfs/dbraw/zinc/05/60/92/419056092.db2.gz SDAFMHQWVMZTJC-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO Cc1cccc(C2(N[C@H]3CCC[C@H]([NH3+])C3)CCC2)c1 ZINC000656200393 419149675 /nfs/dbraw/zinc/14/96/75/419149675.db2.gz MBJZEXCIOGAYNP-HOTGVXAUSA-N 1 3 258.409 3.234 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccccc3F)CCC2)C1 ZINC000656200438 419150103 /nfs/dbraw/zinc/15/01/03/419150103.db2.gz PTPDJJPLYUKIME-KBPBESRZSA-N 1 3 276.399 3.107 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccccc3F)CCC2)C1 ZINC000656200438 419150106 /nfs/dbraw/zinc/15/01/06/419150106.db2.gz PTPDJJPLYUKIME-KBPBESRZSA-N 1 3 276.399 3.107 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000656478127 419176952 /nfs/dbraw/zinc/17/69/52/419176952.db2.gz FAQQHCKTCAOHFV-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000656478127 419176956 /nfs/dbraw/zinc/17/69/56/419176956.db2.gz FAQQHCKTCAOHFV-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO Cc1nc2ccccc2c(N(C)CC(C)(C)[NH3+])c1C ZINC000656609236 419186519 /nfs/dbraw/zinc/18/65/19/419186519.db2.gz UEMYZTKSFDRGAF-UHFFFAOYSA-N 1 3 257.381 3.025 20 0 CGADHO Cc1ccc2cc(C[NH2+]C3CCN(C(C)C)CC3)[nH]c2c1 ZINC000657294546 419244666 /nfs/dbraw/zinc/24/46/66/419244666.db2.gz RZLCPIIDRINVSN-UHFFFAOYSA-N 1 3 285.435 3.439 20 0 CGADHO Fc1ccccc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785530 419219688 /nfs/dbraw/zinc/21/96/88/419219688.db2.gz LLYHYHBIAHDHDO-HNNXBMFYSA-N 1 3 276.399 3.037 20 0 CGADHO CCC[C@@H](C)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613753 419314802 /nfs/dbraw/zinc/31/48/02/419314802.db2.gz QUHGKFYAPBRJAZ-MRXNPFEDSA-N 1 3 289.467 3.319 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000657626333 419316419 /nfs/dbraw/zinc/31/64/19/419316419.db2.gz JMGOTMBFUWFCOZ-ROUUACIJSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000657626333 419316422 /nfs/dbraw/zinc/31/64/22/419316422.db2.gz JMGOTMBFUWFCOZ-ROUUACIJSA-N 1 3 272.436 3.062 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657716775 419332923 /nfs/dbraw/zinc/33/29/23/419332923.db2.gz STAJCDXOYOQIEU-WNRNVDISSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657716775 419332924 /nfs/dbraw/zinc/33/29/24/419332924.db2.gz STAJCDXOYOQIEU-WNRNVDISSA-N 1 3 270.420 3.149 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662244472 419373388 /nfs/dbraw/zinc/37/33/88/419373388.db2.gz HEBCUIPYKTTWSW-BHYGNILZSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662244472 419373393 /nfs/dbraw/zinc/37/33/93/419373393.db2.gz HEBCUIPYKTTWSW-BHYGNILZSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000662244472 419373397 /nfs/dbraw/zinc/37/33/97/419373397.db2.gz HEBCUIPYKTTWSW-BHYGNILZSA-N 1 3 272.436 3.166 20 0 CGADHO NCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662272502 419379640 /nfs/dbraw/zinc/37/96/40/419379640.db2.gz FVQMIGHYVPOTAZ-DLBZAZTESA-N 1 3 272.436 3.310 20 0 CGADHO NCC[C@H]1CCCC[N@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662272502 419379643 /nfs/dbraw/zinc/37/96/43/419379643.db2.gz FVQMIGHYVPOTAZ-DLBZAZTESA-N 1 3 272.436 3.310 20 0 CGADHO COc1cccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000662283889 419384470 /nfs/dbraw/zinc/38/44/70/419384470.db2.gz DGZOPXMXGBGVGK-AWEZNQCLSA-N 1 3 296.414 3.192 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844853 419386598 /nfs/dbraw/zinc/38/65/98/419386598.db2.gz KOTNRELJIJFPJS-FZKCQIBNSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657971008 419467105 /nfs/dbraw/zinc/46/71/05/419467105.db2.gz HZWBAZOFURXOFI-CYBMUJFWSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@H](CC1CC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165670 419631990 /nfs/dbraw/zinc/63/19/90/419631990.db2.gz JUFNQOMHRSLRCK-OAHLLOKOSA-N 1 3 287.451 3.072 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164872 419632416 /nfs/dbraw/zinc/63/24/16/419632416.db2.gz AMTZNDDRYPDEJB-JKSUJKDBSA-N 1 3 289.467 3.318 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000663502677 419636246 /nfs/dbraw/zinc/63/62/46/419636246.db2.gz JUOFHJBZAGEULQ-BBWFWOEESA-N 1 3 278.415 3.425 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000663502677 419636251 /nfs/dbraw/zinc/63/62/51/419636251.db2.gz JUOFHJBZAGEULQ-BBWFWOEESA-N 1 3 278.415 3.425 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)CC(F)(F)F ZINC000663356269 419577161 /nfs/dbraw/zinc/57/71/61/419577161.db2.gz HSLDEMONDOHYFQ-NEPJUHHUSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000663356269 419577166 /nfs/dbraw/zinc/57/71/66/419577166.db2.gz HSLDEMONDOHYFQ-NEPJUHHUSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000663356269 419577170 /nfs/dbraw/zinc/57/71/70/419577170.db2.gz HSLDEMONDOHYFQ-NEPJUHHUSA-N 1 3 278.362 3.181 20 0 CGADHO C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663466035 419614733 /nfs/dbraw/zinc/61/47/33/419614733.db2.gz NFNQJOKUIWKTCS-YJBOKZPZSA-N 1 3 276.468 3.277 20 0 CGADHO C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663463569 419615299 /nfs/dbraw/zinc/61/52/99/419615299.db2.gz ADHDJWQIQUBVOQ-JKSUJKDBSA-N 1 3 262.441 3.031 20 0 CGADHO CC[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000658237397 419693332 /nfs/dbraw/zinc/69/33/32/419693332.db2.gz ZRYNPCZKJARRDC-RDTXWAMCSA-N 1 3 290.451 3.466 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000658235875 419694857 /nfs/dbraw/zinc/69/48/57/419694857.db2.gz SDIZTYJSXAZOAD-KSSFIOAISA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000521045268 260119724 /nfs/dbraw/zinc/11/97/24/260119724.db2.gz LWODYCJCAPRVFD-SCLBCKFNSA-N 1 3 266.388 3.168 20 0 CGADHO CC(C)C1CC([NH2+]C[C@H](C)CN2CCCCC2)C1 ZINC000232537660 287645613 /nfs/dbraw/zinc/64/56/13/287645613.db2.gz CVVJKCNJTQDYAG-FHERZECASA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000185323560 270062298 /nfs/dbraw/zinc/06/22/98/270062298.db2.gz WCMZCEWNYGNEMQ-MRXNPFEDSA-N 1 3 293.414 3.302 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1CN1CCC([NH2+]C(C)C)CC1 ZINC000191301246 270074782 /nfs/dbraw/zinc/07/47/82/270074782.db2.gz GJGKCNYOUGUYDI-DOTOQJQBSA-N 1 3 264.457 3.441 20 0 CGADHO CC1CC[NH+](C2CCC(NCC3(F)CC3)CC2)CC1 ZINC000527238306 270127237 /nfs/dbraw/zinc/12/72/37/270127237.db2.gz QLJVHAKLWHOITJ-UHFFFAOYSA-N 1 3 268.420 3.121 20 0 CGADHO CC(C)(C[NH2+]Cc1ccc2cc[nH]c2c1)CN1CCCC1 ZINC000527699199 270132329 /nfs/dbraw/zinc/13/23/29/270132329.db2.gz GNHJGHMONTUBAM-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1CC12CC2 ZINC000527844087 270139168 /nfs/dbraw/zinc/13/91/68/270139168.db2.gz FLZPRKWWGLQFPC-AAEUAGOBSA-N 1 3 250.430 3.074 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@H]1CC12CC2 ZINC000527844186 270139354 /nfs/dbraw/zinc/13/93/54/270139354.db2.gz GPLOOLJNMBQZON-QLFBSQMISA-N 1 3 250.430 3.029 20 0 CGADHO c1cc2c(ccnc2NC[C@H]2CC[N@@H+]2C2CCCCC2)[nH]1 ZINC000528117991 270154805 /nfs/dbraw/zinc/15/48/05/270154805.db2.gz OFPORRYXTDJWSP-CQSZACIVSA-N 1 3 284.407 3.382 20 0 CGADHO c1cc2c(ccnc2NC[C@H]2CC[N@H+]2C2CCCCC2)[nH]1 ZINC000528117991 270154806 /nfs/dbraw/zinc/15/48/06/270154806.db2.gz OFPORRYXTDJWSP-CQSZACIVSA-N 1 3 284.407 3.382 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530214869 270195637 /nfs/dbraw/zinc/19/56/37/270195637.db2.gz YPJXDMDDBBMYMU-SUMWQHHRSA-N 1 3 264.457 3.181 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000530216667 270195798 /nfs/dbraw/zinc/19/57/98/270195798.db2.gz BPQOTUAUBKCQPF-NEPJUHHUSA-N 1 3 262.388 3.036 20 0 CGADHO Cc1cccc([C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C(C)C)c1 ZINC000530226846 270196983 /nfs/dbraw/zinc/19/69/83/270196983.db2.gz UDNWTWANGAYZTF-USXIJHARSA-N 1 3 260.425 3.280 20 0 CGADHO CC[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCOCC1 ZINC000531948454 270211296 /nfs/dbraw/zinc/21/12/96/270211296.db2.gz KBNNRFGCVVGRSE-OAHLLOKOSA-N 1 3 282.472 3.090 20 0 CGADHO COC1CCC(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423040511 274016408 /nfs/dbraw/zinc/01/64/08/274016408.db2.gz UJNZZCZBDIZSOH-GNNGFNCTSA-N 1 3 288.435 3.316 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCCCC1)CCC2 ZINC000423175312 274135499 /nfs/dbraw/zinc/13/54/99/274135499.db2.gz DPKNRQYCOZILQK-QGZVFWFLSA-N 1 3 288.435 3.324 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)CN(C)C ZINC000425936140 274225878 /nfs/dbraw/zinc/22/58/78/274225878.db2.gz HFKXFASLDJHBAB-JSGCOSHPSA-N 1 3 264.413 3.080 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122259 274393345 /nfs/dbraw/zinc/39/33/45/274393345.db2.gz TYLJAJIUTDVUBZ-DIOULYMOSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122259 274393347 /nfs/dbraw/zinc/39/33/47/274393347.db2.gz TYLJAJIUTDVUBZ-DIOULYMOSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217977 274394020 /nfs/dbraw/zinc/39/40/20/274394020.db2.gz TXTVBBQPCVDNQM-PVUWLOKVSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217977 274394022 /nfs/dbraw/zinc/39/40/22/274394022.db2.gz TXTVBBQPCVDNQM-PVUWLOKVSA-N 1 3 276.399 3.275 20 0 CGADHO [NH3+]CCCN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000423197349 274945492 /nfs/dbraw/zinc/94/54/92/274945492.db2.gz ZBGQKHDTEMVUCL-AWEZNQCLSA-N 1 3 252.789 3.046 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439987 276001893 /nfs/dbraw/zinc/00/18/93/276001893.db2.gz ABRZKCQCVOPNRY-YVSFHVDLSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439987 276001896 /nfs/dbraw/zinc/00/18/96/276001896.db2.gz ABRZKCQCVOPNRY-YVSFHVDLSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439987 276001898 /nfs/dbraw/zinc/00/18/98/276001898.db2.gz ABRZKCQCVOPNRY-YVSFHVDLSA-N 1 3 298.540 3.474 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1ccccn1 ZINC000411556156 276334105 /nfs/dbraw/zinc/33/41/05/276334105.db2.gz XNJOLMBDFQRNKF-AEFFLSMTSA-N 1 3 289.467 3.114 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000411556156 276334107 /nfs/dbraw/zinc/33/41/07/276334107.db2.gz XNJOLMBDFQRNKF-AEFFLSMTSA-N 1 3 289.467 3.114 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423160127 276337346 /nfs/dbraw/zinc/33/73/46/276337346.db2.gz GYZKPNCVJSYULL-VVLHAWIVSA-N 1 3 274.408 3.069 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000271882096 277023614 /nfs/dbraw/zinc/02/36/14/277023614.db2.gz POPALPFVMCPAOJ-KRWDZBQOSA-N 1 3 270.420 3.261 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376708 277046552 /nfs/dbraw/zinc/04/65/52/277046552.db2.gz JUXJSCGDKSZCSK-HOTGVXAUSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339376708 277046553 /nfs/dbraw/zinc/04/65/53/277046553.db2.gz JUXJSCGDKSZCSK-HOTGVXAUSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN[C@@]1(C)CCCc2ccccc21 ZINC000503052111 277078854 /nfs/dbraw/zinc/07/88/54/277078854.db2.gz JRZWHNJEGAAABS-WMZOPIPTSA-N 1 3 272.436 3.312 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN[C@@]1(C)CCCc2ccccc21 ZINC000503052111 277078855 /nfs/dbraw/zinc/07/88/55/277078855.db2.gz JRZWHNJEGAAABS-WMZOPIPTSA-N 1 3 272.436 3.312 20 0 CGADHO COC1(CNCCC[N@H+](C)C2CCCCC2)CCCC1 ZINC000319448961 277187254 /nfs/dbraw/zinc/18/72/54/277187254.db2.gz MVPRJQPLLFZZOS-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO COC1(CNCCC[N@@H+](C)C2CCCCC2)CCCC1 ZINC000319448961 277187255 /nfs/dbraw/zinc/18/72/55/277187255.db2.gz MVPRJQPLLFZZOS-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000279830920 277334519 /nfs/dbraw/zinc/33/45/19/277334519.db2.gz YZEHXRVDYVKPBP-RANZSIQMSA-N 1 3 290.451 3.225 20 0 CGADHO CS[C@@H]1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000261573153 278145635 /nfs/dbraw/zinc/14/56/35/278145635.db2.gz UWBIENHBDPPFDP-SHUKQUCYSA-N 1 3 276.449 3.395 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000397287184 288022625 /nfs/dbraw/zinc/02/26/25/288022625.db2.gz VCFQPDSKNBXRPM-KEYYUXOJSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000397353290 288022932 /nfs/dbraw/zinc/02/29/32/288022932.db2.gz VFQGZJAQWGDIGG-MBNYWOFBSA-N 1 3 298.377 3.093 20 0 CGADHO C[C@H](NCC1([NH3+])CCC1)C1(c2ccccc2)CCCC1 ZINC000423324559 278255867 /nfs/dbraw/zinc/25/58/67/278255867.db2.gz KMWLAPJEBQENJM-HNNXBMFYSA-N 1 3 272.436 3.358 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000359909024 278258475 /nfs/dbraw/zinc/25/84/75/278258475.db2.gz JGYVZKBDLVYMPE-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000250907694 278274571 /nfs/dbraw/zinc/27/45/71/278274571.db2.gz SLXCHFGPCNHDJT-IMJJTQAJSA-N 1 3 250.430 3.172 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CC1(C)C ZINC000397737037 288028664 /nfs/dbraw/zinc/02/86/64/288028664.db2.gz GWXMFYRYILLBMW-QXSJWSMHSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1nccc2ccccc21)CN(C)C ZINC000293364224 278284618 /nfs/dbraw/zinc/28/46/18/278284618.db2.gz HORQVIZFVOCCIJ-KBPBESRZSA-N 1 3 271.408 3.083 20 0 CGADHO CC(C)(C)C1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000414841882 278301766 /nfs/dbraw/zinc/30/17/66/278301766.db2.gz ZNEBAEZKFKNMQC-NFOMZHRRSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252765344 278306954 /nfs/dbraw/zinc/30/69/54/278306954.db2.gz IKAULIFSHFTQON-LOWVWBTDSA-N 1 3 286.341 3.436 20 0 CGADHO C[C@@H](NCC1(C2CCC2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000423165672 278340256 /nfs/dbraw/zinc/34/02/56/278340256.db2.gz QBEXUKFIDODGCW-UKRRQHHQSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)(C)[NH+]1CCC(N2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334668406 278340490 /nfs/dbraw/zinc/34/04/90/278340490.db2.gz GKGZSOWFLWEHAX-QGZVFWFLSA-N 1 3 296.524 3.468 20 0 CGADHO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423384354 278350549 /nfs/dbraw/zinc/35/05/49/278350549.db2.gz LAXOFMYTCVONNR-STQMWFEESA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000346373317 278888914 /nfs/dbraw/zinc/88/89/14/278888914.db2.gz RJBGXJYEYPKHTM-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](C[NH2+]CCc1cccc(Cl)c1)CN1CCCC1 ZINC000459399337 288088902 /nfs/dbraw/zinc/08/89/02/288088902.db2.gz YYXBZOIWVBFKBU-CQSZACIVSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@H](CNCCc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000459399337 288088903 /nfs/dbraw/zinc/08/89/03/288088903.db2.gz YYXBZOIWVBFKBU-CQSZACIVSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358391617 279014178 /nfs/dbraw/zinc/01/41/78/279014178.db2.gz FEDJLCDZROIRDF-DJZPMSPPSA-N 1 3 276.399 3.131 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358391617 279014179 /nfs/dbraw/zinc/01/41/79/279014179.db2.gz FEDJLCDZROIRDF-DJZPMSPPSA-N 1 3 276.399 3.131 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccccc1C ZINC000349666772 279109278 /nfs/dbraw/zinc/10/92/78/279109278.db2.gz OJBDWCPQORQSMB-MRXNPFEDSA-N 1 3 278.440 3.004 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414947855 279253643 /nfs/dbraw/zinc/25/36/43/279253643.db2.gz XFMKPKSZMPDLAN-SQWLQELKSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCOC1 ZINC000358645803 279457080 /nfs/dbraw/zinc/45/70/80/279457080.db2.gz COKKQDMSQLQBCV-CVYDXHPNSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)OCCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000224996834 279661247 /nfs/dbraw/zinc/66/12/47/279661247.db2.gz QFFUIEPAPFSHHZ-JKSUJKDBSA-N 1 3 270.461 3.092 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431034161 288153936 /nfs/dbraw/zinc/15/39/36/288153936.db2.gz MMJOHUAELFASRY-MRXNPFEDSA-N 1 3 294.389 3.491 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000178038588 288161429 /nfs/dbraw/zinc/16/14/29/288161429.db2.gz BPVIOYJZTISAJQ-NCOADZHNSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccco2)C1 ZINC000120624796 279987235 /nfs/dbraw/zinc/98/72/35/279987235.db2.gz GVIYGUJLIXQBEA-GJZGRUSLSA-N 1 3 264.413 3.127 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)C[C@H]1C ZINC000414944348 279994630 /nfs/dbraw/zinc/99/46/30/279994630.db2.gz GUKIGOBTONJZNQ-QCODTGAPSA-N 1 3 252.446 3.177 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CC(C)(C)C1 ZINC000344330291 280009657 /nfs/dbraw/zinc/00/96/57/280009657.db2.gz OAXCOMQKVQGNFK-ZFWWWQNUSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681212 288187860 /nfs/dbraw/zinc/18/78/60/288187860.db2.gz MHWVNLBNTCLXCS-LAQRGFTBSA-N 1 3 278.484 3.379 20 0 CGADHO CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1ccccc1F ZINC000163828696 280195788 /nfs/dbraw/zinc/19/57/88/280195788.db2.gz IXGIAUNZXBYXFE-IUODEOHRSA-N 1 3 252.377 3.207 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H](C)C1CNC1)c1ccc(Cl)cc1 ZINC000423107885 280255048 /nfs/dbraw/zinc/25/50/48/280255048.db2.gz LKSRTPXTBMPQAG-WBMJQRKESA-N 1 3 280.843 3.277 20 0 CGADHO CC(C)[C@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423107885 280255051 /nfs/dbraw/zinc/25/50/51/280255051.db2.gz LKSRTPXTBMPQAG-WBMJQRKESA-N 1 3 280.843 3.277 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000502032576 280265265 /nfs/dbraw/zinc/26/52/65/280265265.db2.gz MAFZVMGCVBIWRQ-XDNAFOTISA-N 1 3 296.499 3.434 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@H](C)C[NH3+] ZINC000423308931 281026631 /nfs/dbraw/zinc/02/66/31/281026631.db2.gz PHYWFEUBGTZPEA-LRDDRELGSA-N 1 3 271.408 3.038 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCNCC1 ZINC000335453895 281026651 /nfs/dbraw/zinc/02/66/51/281026651.db2.gz WYWRATIVNFZMIY-KRWDZBQOSA-N 1 3 283.419 3.195 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@H](C)C[NH3+] ZINC000423308933 281026696 /nfs/dbraw/zinc/02/66/96/281026696.db2.gz PHYWFEUBGTZPEA-WBMJQRKESA-N 1 3 271.408 3.038 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530176945 288294389 /nfs/dbraw/zinc/29/43/89/288294389.db2.gz FFNLBQGVFZPJCC-NVXWUHKLSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530177865 288295537 /nfs/dbraw/zinc/29/55/37/288295537.db2.gz JABHLMIYPJZFOW-RDBSUJKOSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530177865 288295539 /nfs/dbraw/zinc/29/55/39/288295539.db2.gz JABHLMIYPJZFOW-RDBSUJKOSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccccc1C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346842076 281339177 /nfs/dbraw/zinc/33/91/77/281339177.db2.gz WLLJVSXSGRJDIA-INIZCTEOSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346842076 281339178 /nfs/dbraw/zinc/33/91/78/281339178.db2.gz WLLJVSXSGRJDIA-INIZCTEOSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262028298 281372853 /nfs/dbraw/zinc/37/28/53/281372853.db2.gz NSNBRVBRSHTTGY-JFIYKMOQSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000347006378 281373162 /nfs/dbraw/zinc/37/31/62/281373162.db2.gz QAOMOXUZOPUMKE-IXDOHACOSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000347006378 281373165 /nfs/dbraw/zinc/37/31/65/281373165.db2.gz QAOMOXUZOPUMKE-IXDOHACOSA-N 1 3 272.436 3.172 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000532474974 288363548 /nfs/dbraw/zinc/36/35/48/288363548.db2.gz JNIJAUBXWJEHSZ-CHWSQXEVSA-N 1 3 296.842 3.341 20 0 CGADHO C[NH+](C)C1CCN(CC2CCC(C)(C)CC2)CC1 ZINC000091670431 282050914 /nfs/dbraw/zinc/05/09/14/282050914.db2.gz SRIGDBGDWWNBFM-UHFFFAOYSA-N 1 3 252.446 3.229 20 0 CGADHO CCCCOCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550627612 289079533 /nfs/dbraw/zinc/07/95/33/289079533.db2.gz NHLWJTKHOWPAOB-ROUUACIJSA-N 1 3 290.451 3.228 20 0 CGADHO CCCCOCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550627612 289079539 /nfs/dbraw/zinc/07/95/39/289079539.db2.gz NHLWJTKHOWPAOB-ROUUACIJSA-N 1 3 290.451 3.228 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000550930852 289091665 /nfs/dbraw/zinc/09/16/65/289091665.db2.gz KPVZWBNZASPCQJ-IRXDYDNUSA-N 1 3 264.457 3.443 20 0 CGADHO CN1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@H]2CCC[C@H]21 ZINC000552250035 289175741 /nfs/dbraw/zinc/17/57/41/289175741.db2.gz STQJFMLJSDLSHB-FGTMMUONSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@H](NCCOC2CCCCCC2)[C@H]2CCC[C@H]21 ZINC000552250035 289175744 /nfs/dbraw/zinc/17/57/44/289175744.db2.gz STQJFMLJSDLSHB-FGTMMUONSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@H+]1CC[C@H](NCCOC2CCCCCC2)[C@H]2CCC[C@H]21 ZINC000552250035 289175746 /nfs/dbraw/zinc/17/57/46/289175746.db2.gz STQJFMLJSDLSHB-FGTMMUONSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(CN[C@@H](CC[NH+](C)C)C(C)(C)C)cc(C)c1O ZINC000554860080 289314694 /nfs/dbraw/zinc/31/46/94/289314694.db2.gz WIYHHWCVFOZJFR-INIZCTEOSA-N 1 3 292.467 3.465 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1C ZINC000554880098 289316725 /nfs/dbraw/zinc/31/67/25/289316725.db2.gz AKHJSHUQWGWZEC-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1C ZINC000554880098 289316727 /nfs/dbraw/zinc/31/67/27/289316727.db2.gz AKHJSHUQWGWZEC-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000422787451 290025076 /nfs/dbraw/zinc/02/50/76/290025076.db2.gz MBYYUFJSPUGTPU-GVRJEKJASA-N 1 3 250.430 3.075 20 0 CGADHO COCc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)o1 ZINC000248615085 293306640 /nfs/dbraw/zinc/30/66/40/293306640.db2.gz KAEUIMJVWFGURF-HOCLYGCPSA-N 1 3 292.423 3.047 20 0 CGADHO COCc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)o1 ZINC000248615085 293306642 /nfs/dbraw/zinc/30/66/42/293306642.db2.gz KAEUIMJVWFGURF-HOCLYGCPSA-N 1 3 292.423 3.047 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000423276250 295238910 /nfs/dbraw/zinc/23/89/10/295238910.db2.gz MVXNEHQSIKTIKN-VBQJREDUSA-N 1 3 276.424 3.172 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422796998 295256127 /nfs/dbraw/zinc/25/61/27/295256127.db2.gz KVJLSPHGWVEMRS-NPJQDHAYSA-N 1 3 250.430 3.062 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422912280 295273632 /nfs/dbraw/zinc/27/36/32/295273632.db2.gz VTOBIZOFKPDUHU-CZUORRHYSA-N 1 3 292.854 3.479 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000423388227 297108284 /nfs/dbraw/zinc/10/82/84/297108284.db2.gz IIJICJGGNPEDIT-UBDQQSCGSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H](CC1CCOCC1)C[N@H+](CCCN)CC1CCCC1 ZINC000352541359 298362749 /nfs/dbraw/zinc/36/27/49/298362749.db2.gz WZSHFCQALRVMML-MRXNPFEDSA-N 1 3 296.499 3.280 20 0 CGADHO C[C@H](CC1CCOCC1)C[N@@H+](CCCN)CC1CCCC1 ZINC000352541359 298362752 /nfs/dbraw/zinc/36/27/52/298362752.db2.gz WZSHFCQALRVMML-MRXNPFEDSA-N 1 3 296.499 3.280 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC12CCCC2)CN1CCCC1 ZINC000189072853 298790737 /nfs/dbraw/zinc/79/07/37/298790737.db2.gz ZDYYMIFKDHLKTM-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO NC1(C[NH2+][C@H]2CCC23CCC3)C2CC3CC(C2)CC1C3 ZINC000423517296 303359772 /nfs/dbraw/zinc/35/97/72/303359772.db2.gz BMIKVMXJAFNEDW-STWSTGMMSA-N 1 3 274.452 3.062 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC23CCC3)C2CC3CC(C2)CC1C3 ZINC000423517296 303359773 /nfs/dbraw/zinc/35/97/73/303359773.db2.gz BMIKVMXJAFNEDW-STWSTGMMSA-N 1 3 274.452 3.062 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423130375 303402470 /nfs/dbraw/zinc/40/24/70/303402470.db2.gz RZNFTPJILZTMJR-REWJHTLYSA-N 1 3 292.389 3.462 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414813956 303400665 /nfs/dbraw/zinc/40/06/65/303400665.db2.gz YVOZYRXLGSHGJU-UGUYLWEFSA-N 1 3 250.430 3.062 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCc2sc(Cl)cc21 ZINC000423120436 303407232 /nfs/dbraw/zinc/40/72/32/303407232.db2.gz GNTUORIVTMMTMO-INTQDDNPSA-N 1 3 270.829 3.106 20 0 CGADHO CC[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C(C)C ZINC000162574405 321884609 /nfs/dbraw/zinc/88/46/09/321884609.db2.gz NWRTWDNKCJNJLX-QGZVFWFLSA-N 1 3 278.440 3.151 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000563880380 322013997 /nfs/dbraw/zinc/01/39/97/322013997.db2.gz HENFUIXSFMLSMH-VXGBXAGGSA-N 1 3 289.448 3.192 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)[C@H](C)C2 ZINC000564212021 322023144 /nfs/dbraw/zinc/02/31/44/322023144.db2.gz OTFBNZGCDNIGLU-AUUYWEPGSA-N 1 3 280.415 3.477 20 0 CGADHO CCc1cccnc1[C@@H](C)NCC1CC[NH+](CC)CC1 ZINC000564750379 322041424 /nfs/dbraw/zinc/04/14/24/322041424.db2.gz UWIBSYOPZNKVFP-CQSZACIVSA-N 1 3 275.440 3.027 20 0 CGADHO CC(C)[N@@H+](Cc1ccc2c(c1)CNCC2)CC1CCC1 ZINC000565095635 322059491 /nfs/dbraw/zinc/05/94/91/322059491.db2.gz GNXYEYVVNRUWRG-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)[N@H+](Cc1ccc2c(c1)CNCC2)CC1CCC1 ZINC000565095635 322059492 /nfs/dbraw/zinc/05/94/92/322059492.db2.gz GNXYEYVVNRUWRG-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565225940 322067708 /nfs/dbraw/zinc/06/77/08/322067708.db2.gz HKMBYWHPUGIGCA-GJZGRUSLSA-N 1 3 290.451 3.222 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491415 322079899 /nfs/dbraw/zinc/07/98/99/322079899.db2.gz PABTXYUCFDFASV-YIYPIFLZSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491415 322079901 /nfs/dbraw/zinc/07/99/01/322079901.db2.gz PABTXYUCFDFASV-YIYPIFLZSA-N 1 3 278.827 3.446 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491341 322080093 /nfs/dbraw/zinc/08/00/93/322080093.db2.gz PABTXYUCFDFASV-AAVRWANBSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C1 ZINC000565491341 322080096 /nfs/dbraw/zinc/08/00/96/322080096.db2.gz PABTXYUCFDFASV-AAVRWANBSA-N 1 3 278.827 3.446 20 0 CGADHO CC[NH2+]CCCN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000566614337 322131357 /nfs/dbraw/zinc/13/13/57/322131357.db2.gz KTRAKKLWVWEYOH-CHWSQXEVSA-N 1 3 268.832 3.421 20 0 CGADHO CCNCCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000566614337 322131358 /nfs/dbraw/zinc/13/13/58/322131358.db2.gz KTRAKKLWVWEYOH-CHWSQXEVSA-N 1 3 268.832 3.421 20 0 CGADHO CC[NH2+]CCCN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000566614340 322131455 /nfs/dbraw/zinc/13/14/55/322131455.db2.gz KTRAKKLWVWEYOH-QWHCGFSZSA-N 1 3 268.832 3.421 20 0 CGADHO CCNCCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000566614340 322131458 /nfs/dbraw/zinc/13/14/58/322131458.db2.gz KTRAKKLWVWEYOH-QWHCGFSZSA-N 1 3 268.832 3.421 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)c1 ZINC000567026490 322147088 /nfs/dbraw/zinc/14/70/88/322147088.db2.gz FMURCHYCFBQVKR-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)c1 ZINC000567026490 322147091 /nfs/dbraw/zinc/14/70/91/322147091.db2.gz FMURCHYCFBQVKR-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO CCNCCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000567462604 322164083 /nfs/dbraw/zinc/16/40/83/322164083.db2.gz UHDGATIZFNEBND-IRXDYDNUSA-N 1 3 260.425 3.220 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000567462604 322164085 /nfs/dbraw/zinc/16/40/85/322164085.db2.gz UHDGATIZFNEBND-IRXDYDNUSA-N 1 3 260.425 3.220 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000567642344 322171500 /nfs/dbraw/zinc/17/15/00/322171500.db2.gz JQVZJMASUCEBDK-MJGOQNOKSA-N 1 3 295.430 3.356 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2c1cccc2Cl ZINC000567639051 322171767 /nfs/dbraw/zinc/17/17/67/322171767.db2.gz ODJGODRGUYPVMT-UVBJJODRSA-N 1 3 278.827 3.434 20 0 CGADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000568566984 322214151 /nfs/dbraw/zinc/21/41/51/322214151.db2.gz ZLIZCIMTMLXLSG-CZUORRHYSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000568566984 322214152 /nfs/dbraw/zinc/21/41/52/322214152.db2.gz ZLIZCIMTMLXLSG-CZUORRHYSA-N 1 3 280.843 3.420 20 0 CGADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCc1ccc(Cl)cc1 ZINC000569136313 322236254 /nfs/dbraw/zinc/23/62/54/322236254.db2.gz CFJFAUOVXHVFIQ-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H](c1ccc(F)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000570281028 322269519 /nfs/dbraw/zinc/26/95/19/322269519.db2.gz QZUUYONJHMCXJX-CZUORRHYSA-N 1 3 276.399 3.208 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502637 322275102 /nfs/dbraw/zinc/27/51/02/322275102.db2.gz HOGSHRXCCKSWIN-CVEARBPZSA-N 1 3 250.430 3.149 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502637 322275104 /nfs/dbraw/zinc/27/51/04/322275104.db2.gz HOGSHRXCCKSWIN-CVEARBPZSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@H]2C=CCCCCC2)C1 ZINC000570502637 322275105 /nfs/dbraw/zinc/27/51/05/322275105.db2.gz HOGSHRXCCKSWIN-CVEARBPZSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@H]2C=CCCCCC2)C1 ZINC000570502637 322275107 /nfs/dbraw/zinc/27/51/07/322275107.db2.gz HOGSHRXCCKSWIN-CVEARBPZSA-N 1 3 250.430 3.149 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccsc2)C1 ZINC000570856964 322283992 /nfs/dbraw/zinc/28/39/92/322283992.db2.gz LMNPURFHHIDCRL-ZBFHGGJFSA-N 1 3 280.481 3.389 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000572527316 322341983 /nfs/dbraw/zinc/34/19/83/322341983.db2.gz XUUCXJOWHVVWST-CZUORRHYSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000572527316 322341984 /nfs/dbraw/zinc/34/19/84/322341984.db2.gz XUUCXJOWHVVWST-CZUORRHYSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)s1 ZINC000572527316 322341985 /nfs/dbraw/zinc/34/19/85/322341985.db2.gz XUUCXJOWHVVWST-CZUORRHYSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)s1 ZINC000572527316 322341986 /nfs/dbraw/zinc/34/19/86/322341986.db2.gz XUUCXJOWHVVWST-CZUORRHYSA-N 1 3 278.465 3.227 20 0 CGADHO C[C@@]1(C[NH2+][C@@H]2CCC[C@H](N)C2)C[C@H]1c1ccccc1 ZINC000572617259 322346753 /nfs/dbraw/zinc/34/67/53/322346753.db2.gz XGSOGPCOIKHLQC-YVSFHVDLSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000572617259 322346754 /nfs/dbraw/zinc/34/67/54/322346754.db2.gz XGSOGPCOIKHLQC-YVSFHVDLSA-N 1 3 258.409 3.040 20 0 CGADHO Cc1c(Br)cccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000573221026 322377031 /nfs/dbraw/zinc/37/70/31/322377031.db2.gz XCNWGJPSQWOYKV-QWHCGFSZSA-N 1 3 297.240 3.117 20 0 CGADHO Cc1nc2ccccc2c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000582749657 329140236 /nfs/dbraw/zinc/14/02/36/329140236.db2.gz YRCGQFSSEVGHPL-HNNXBMFYSA-N 1 3 295.430 3.170 20 0 CGADHO Cc1nc2ccccc2c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000582749657 329140237 /nfs/dbraw/zinc/14/02/37/329140237.db2.gz YRCGQFSSEVGHPL-HNNXBMFYSA-N 1 3 295.430 3.170 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000584464125 329490600 /nfs/dbraw/zinc/49/06/00/329490600.db2.gz WPGKDISKRVUVOA-FVQBIDKESA-N 1 3 290.455 3.138 20 0 CGADHO CCCN1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000191635365 330347156 /nfs/dbraw/zinc/34/71/56/330347156.db2.gz IFJKNIHXMOTEPJ-QGZVFWFLSA-N 1 3 288.435 3.234 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000576464483 335207264 /nfs/dbraw/zinc/20/72/64/335207264.db2.gz KDPGMDONSVVDQO-UHFFFAOYSA-N 1 3 294.320 3.454 20 0 CGADHO COCCCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000577509219 335362233 /nfs/dbraw/zinc/36/22/33/335362233.db2.gz BNZDQOXIFQNNKL-BZSNNMDCSA-N 1 3 290.451 3.404 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1Cl ZINC000577626782 335381811 /nfs/dbraw/zinc/38/18/11/335381811.db2.gz SJKATWRPORWQCU-QWHCGFSZSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000577626782 335381813 /nfs/dbraw/zinc/38/18/13/335381813.db2.gz SJKATWRPORWQCU-QWHCGFSZSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@@H]2CCCC[C@H]2C)CC1 ZINC000183033251 335857374 /nfs/dbraw/zinc/85/73/74/335857374.db2.gz JTNLDFHQWITBRA-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@@H](CN)C2)C1 ZINC000581191194 336022133 /nfs/dbraw/zinc/02/21/33/336022133.db2.gz PKFBNWCJPWLCFI-JQHSSLGASA-N 1 3 272.436 3.168 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H](CN)C2)C1 ZINC000581191194 336022135 /nfs/dbraw/zinc/02/21/35/336022135.db2.gz PKFBNWCJPWLCFI-JQHSSLGASA-N 1 3 272.436 3.168 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000581441687 336078802 /nfs/dbraw/zinc/07/88/02/336078802.db2.gz WQPSDTAZYFWQEF-INIZCTEOSA-N 1 3 295.430 3.465 20 0 CGADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccccc1Cl ZINC000423557773 533840467 /nfs/dbraw/zinc/84/04/67/533840467.db2.gz NRLZMJZEXLUFPA-LBPRGKRZSA-N 1 3 264.800 3.300 20 0 CGADHO C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1F ZINC000423429878 533910520 /nfs/dbraw/zinc/91/05/20/533910520.db2.gz TVOUDEHJRSWJJZ-AVGNSLFASA-N 1 3 282.378 3.381 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423369020 533984160 /nfs/dbraw/zinc/98/41/60/533984160.db2.gz DRQNTAYIVJXZIJ-WCFLWFBJSA-N 1 3 284.350 3.209 20 0 CGADHO COc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C(C)C ZINC000423370889 534122054 /nfs/dbraw/zinc/12/20/54/534122054.db2.gz FYSXPGUYOIIUCB-IKGGRYGDSA-N 1 3 290.451 3.122 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000449222950 534259718 /nfs/dbraw/zinc/25/97/18/534259718.db2.gz XEOKWHYCQNDTJK-AWEZNQCLSA-N 1 3 272.392 3.062 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)NC[C@]1(C)CCC[NH2+]C1 ZINC000423332867 534267171 /nfs/dbraw/zinc/26/71/71/534267171.db2.gz HIVNZBLFDQVDAF-KBXCAEBGSA-N 1 3 286.419 3.343 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@]1(C)CCCNC1 ZINC000423332867 534267174 /nfs/dbraw/zinc/26/71/74/534267174.db2.gz HIVNZBLFDQVDAF-KBXCAEBGSA-N 1 3 286.419 3.343 20 0 CGADHO c1cc2cccc(C[NH2+]CCCN3CCCC3)c2o1 ZINC000449224054 534477214 /nfs/dbraw/zinc/47/72/14/534477214.db2.gz ZMNCOSHZLAZYBK-UHFFFAOYSA-N 1 3 258.365 3.008 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1 ZINC000037643636 520779896 /nfs/dbraw/zinc/77/98/96/520779896.db2.gz GJQKEWHUCSWPOC-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037643636 520779898 /nfs/dbraw/zinc/77/98/98/520779898.db2.gz GJQKEWHUCSWPOC-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643636 520779903 /nfs/dbraw/zinc/77/99/03/520779903.db2.gz GJQKEWHUCSWPOC-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccnc1 ZINC000184833149 521153606 /nfs/dbraw/zinc/15/36/06/521153606.db2.gz VMPVERBLZRQTMR-HNNXBMFYSA-N 1 3 263.429 3.100 20 0 CGADHO [NH3+]CCCCNCc1ccc(-c2ccccc2)cc1F ZINC000414904553 534605359 /nfs/dbraw/zinc/60/53/59/534605359.db2.gz MXXMMLMTJXTPIO-UHFFFAOYSA-N 1 3 272.367 3.321 20 0 CGADHO Clc1cccc([C@H]2CCC[C@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423458412 534647698 /nfs/dbraw/zinc/64/76/98/534647698.db2.gz PYNZBJAOKMHHCM-ZZTPXLKCSA-N 1 3 290.838 3.174 20 0 CGADHO C[C@H]([NH3+])C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000339413596 524825835 /nfs/dbraw/zinc/82/58/35/524825835.db2.gz WNQKJGVJIYLFCQ-LBPRGKRZSA-N 1 3 298.833 3.471 20 0 CGADHO Cc1cc(F)ccc1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157469587 524971938 /nfs/dbraw/zinc/97/19/38/524971938.db2.gz FFPUWKRVWMHHGD-ZWKOTPCHSA-N 1 3 284.378 3.411 20 0 CGADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424375796 527894213 /nfs/dbraw/zinc/89/42/13/527894213.db2.gz OANRVLIKLIARGW-WCXIOVBPSA-N 1 3 288.435 3.092 20 0 CGADHO CC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000358263837 527979345 /nfs/dbraw/zinc/97/93/45/527979345.db2.gz HNUQSEIWPJJSQX-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424384689 528154448 /nfs/dbraw/zinc/15/44/48/528154448.db2.gz VLIPHJDQGUALAZ-IAGOWNOFSA-N 1 3 276.424 3.081 20 0 CGADHO CCN[C@H](C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000423379132 528423893 /nfs/dbraw/zinc/42/38/93/528423893.db2.gz LRFMWEPDACCJRG-ZIAGYGMSSA-N 1 3 256.393 3.488 20 0 CGADHO CCCC[NH+]1CCC(N[C@@H](C)Cc2ccoc2)CC1 ZINC000449102531 528462832 /nfs/dbraw/zinc/46/28/32/528462832.db2.gz YYCPZNVUFVXJRR-AWEZNQCLSA-N 1 3 264.413 3.065 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(F)c(F)c1 ZINC000423269422 528588582 /nfs/dbraw/zinc/58/85/82/528588582.db2.gz HDCCCOHVFPLVSH-HUUCEWRRSA-N 1 3 270.367 3.235 20 0 CGADHO CC(C)[C@@H](NC[C@@H](C)C[NH3+])c1cc2ccccc2o1 ZINC000423301350 528588594 /nfs/dbraw/zinc/58/85/94/528588594.db2.gz FSOSOFYPUGIICR-BLLLJJGKSA-N 1 3 260.381 3.314 20 0 CGADHO CCOc1ccc([C@@H](CC)[NH2+]CC(C)(C)N)cc1OCC ZINC000423282220 528597712 /nfs/dbraw/zinc/59/77/12/528597712.db2.gz CLFYTMNDXUVUQO-CQSZACIVSA-N 1 3 294.439 3.262 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423396375 528630443 /nfs/dbraw/zinc/63/04/43/528630443.db2.gz NTMWOOJVASOWAF-ZQIUZPCESA-N 1 3 260.425 3.288 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367590723 528656021 /nfs/dbraw/zinc/65/60/21/528656021.db2.gz VTBYDAMALSHEMT-RCCFBDPRSA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367590723 528656025 /nfs/dbraw/zinc/65/60/25/528656025.db2.gz VTBYDAMALSHEMT-RCCFBDPRSA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000367590723 528656031 /nfs/dbraw/zinc/65/60/31/528656031.db2.gz VTBYDAMALSHEMT-RCCFBDPRSA-N 1 3 288.435 3.048 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423328691 528720618 /nfs/dbraw/zinc/72/06/18/528720618.db2.gz ODSUOIOUJURADE-CYBMUJFWSA-N 1 3 262.397 3.007 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423408425 528726178 /nfs/dbraw/zinc/72/61/78/528726178.db2.gz XMCOECSLLXZJMQ-JKIFEVAISA-N 1 3 276.424 3.124 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423408420 528727126 /nfs/dbraw/zinc/72/71/26/528727126.db2.gz XMCOECSLLXZJMQ-GRDNDAEWSA-N 1 3 276.424 3.124 20 0 CGADHO CCC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(OC)cc1 ZINC000423327371 529004803 /nfs/dbraw/zinc/00/48/03/529004803.db2.gz MZNHZWZVVDUNHF-OAHLLOKOSA-N 1 3 262.397 3.007 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268985 529068381 /nfs/dbraw/zinc/06/83/81/529068381.db2.gz GSSCRCZCPDNLCE-KBXCAEBGSA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423285261 529068844 /nfs/dbraw/zinc/06/88/44/529068844.db2.gz YYPPGZAETLWSCF-SLEUVZQESA-N 1 3 268.832 3.405 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000423271799 529071985 /nfs/dbraw/zinc/07/19/85/529071985.db2.gz JJPOPRIYDKIRDQ-HZPDHXFCSA-N 1 3 280.843 3.234 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436279054 529085592 /nfs/dbraw/zinc/08/55/92/529085592.db2.gz GQSVTTTZMNXWKL-CYBMUJFWSA-N 1 3 289.398 3.129 20 0 CGADHO CCC1(CC)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1OC ZINC000359046014 529106781 /nfs/dbraw/zinc/10/67/81/529106781.db2.gz KPZGFIPYUPYBHB-BACDZXNISA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccnc1 ZINC000357860200 529119379 /nfs/dbraw/zinc/11/93/79/529119379.db2.gz WOTINYQQPMDQHA-KRWDZBQOSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)(C[NH2+][C@H]1CC(C)(C)OC1(C)C)CN1CCCC1 ZINC000357881771 535153288 /nfs/dbraw/zinc/15/32/88/535153288.db2.gz RYZLFWNESCZENI-AWEZNQCLSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)(CN[C@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCC1 ZINC000357881771 535153290 /nfs/dbraw/zinc/15/32/90/535153290.db2.gz RYZLFWNESCZENI-AWEZNQCLSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](C)N(Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767652 618125269 /nfs/dbraw/zinc/12/52/69/618125269.db2.gz MBNSNYLIXQZOSE-WBVHZDCISA-N 1 3 260.425 3.287 20 0 CGADHO C1CCC([C@H]2CNCC[C@H]2[NH2+]C2CCCCC2)C1 ZINC000925501551 618989267 /nfs/dbraw/zinc/98/92/67/618989267.db2.gz IMPALASZCZVLCQ-HZPDHXFCSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@H]2C[C@@H](N)C23CCC3)cc1 ZINC000925516483 619010541 /nfs/dbraw/zinc/01/05/41/619010541.db2.gz UZJSJXLFYHZROC-CVEARBPZSA-N 1 3 290.476 3.088 20 0 CGADHO Cc1ccc(CSCCN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925516483 619010545 /nfs/dbraw/zinc/01/05/45/619010545.db2.gz UZJSJXLFYHZROC-CVEARBPZSA-N 1 3 290.476 3.088 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2cccc(F)c2F)C1 ZINC000925598729 619080305 /nfs/dbraw/zinc/08/03/05/619080305.db2.gz UEYXDCWXGGFUOD-CHWSQXEVSA-N 1 3 282.378 3.003 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925619721 619091532 /nfs/dbraw/zinc/09/15/32/619091532.db2.gz QYSKIEXVNLERIH-ZNMIVQPWSA-N 1 3 286.410 3.322 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[C@@H](N)C23CCC3)cc1 ZINC000925642975 619102592 /nfs/dbraw/zinc/10/25/92/619102592.db2.gz USJLOJULZJOVHL-NUEKZKHPSA-N 1 3 290.476 3.335 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925655215 619110877 /nfs/dbraw/zinc/11/08/77/619110877.db2.gz RDMCDOURJLRISO-NXNVCVFFSA-N 1 3 270.420 3.101 20 0 CGADHO CC1(C)Cc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])ccc2O1 ZINC000841031475 620408465 /nfs/dbraw/zinc/40/84/65/620408465.db2.gz SJOTXQVLXMAQMK-GOEBONIOSA-N 1 3 288.435 3.007 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc3ncccc23)C1 ZINC000902407338 621292874 /nfs/dbraw/zinc/29/28/74/621292874.db2.gz RXEPPRCDAIYCPQ-OAHLLOKOSA-N 1 3 283.419 3.103 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)O1 ZINC000902462026 621337255 /nfs/dbraw/zinc/33/72/55/621337255.db2.gz SGNXFAASEHANNC-IKGGRYGDSA-N 1 3 294.483 3.092 20 0 CGADHO CC1(C)CCC[C@H](CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)O1 ZINC000902462026 621337258 /nfs/dbraw/zinc/33/72/58/621337258.db2.gz SGNXFAASEHANNC-IKGGRYGDSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000902491295 621343084 /nfs/dbraw/zinc/34/30/84/621343084.db2.gz XARAVBJHVHVMFR-YRGRVCCFSA-N 1 3 287.432 3.198 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H](c2ccncc2)C2CC2)C1 ZINC000902515471 621359470 /nfs/dbraw/zinc/35/94/70/621359470.db2.gz VVNVTOWRKSDEBQ-BZUAXINKSA-N 1 3 273.424 3.028 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC000902761643 621429876 /nfs/dbraw/zinc/42/98/76/621429876.db2.gz VTYJBMCAIZKBPQ-WMZOPIPTSA-N 1 3 296.499 3.149 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC000902761641 621429915 /nfs/dbraw/zinc/42/99/15/621429915.db2.gz VTYJBMCAIZKBPQ-FUHWJXTLSA-N 1 3 296.499 3.149 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000903059931 621548610 /nfs/dbraw/zinc/54/86/10/621548610.db2.gz XQFJPTKVXVSQLW-OKZBNKHCSA-N 1 3 294.483 3.046 20 0 CGADHO FC1(F)CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903123555 621588974 /nfs/dbraw/zinc/58/89/74/621588974.db2.gz BPXUPOCRUJFOPI-YPRXJGMQSA-N 1 3 284.394 3.312 20 0 CGADHO FC1(F)CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903123555 621588982 /nfs/dbraw/zinc/58/89/82/621588982.db2.gz BPXUPOCRUJFOPI-YPRXJGMQSA-N 1 3 284.394 3.312 20 0 CGADHO CC1(C)C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C(C)(C)O1 ZINC000903147004 621598634 /nfs/dbraw/zinc/59/86/34/621598634.db2.gz LTRDQZNEIFBXCH-YPAMNDHTSA-N 1 3 292.467 3.080 20 0 CGADHO CC1(C)C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)O1 ZINC000903147004 621598638 /nfs/dbraw/zinc/59/86/38/621598638.db2.gz LTRDQZNEIFBXCH-YPAMNDHTSA-N 1 3 292.467 3.080 20 0 CGADHO Cc1cccnc1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903178549 621614945 /nfs/dbraw/zinc/61/49/45/621614945.db2.gz IBMUNFLEUCGBNI-ZNXRZULTSA-N 1 3 299.462 3.070 20 0 CGADHO Cc1cccnc1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178549 621614951 /nfs/dbraw/zinc/61/49/51/621614951.db2.gz IBMUNFLEUCGBNI-ZNXRZULTSA-N 1 3 299.462 3.070 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903354518 621712848 /nfs/dbraw/zinc/71/28/48/621712848.db2.gz OYJDMKQQMHOLRD-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903354518 621712853 /nfs/dbraw/zinc/71/28/53/621712853.db2.gz OYJDMKQQMHOLRD-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1CCCC12CCC2)c1cccnc1 ZINC000903378968 621721336 /nfs/dbraw/zinc/72/13/36/621721336.db2.gz UCZVDGZDWDYXAW-IRXDYDNUSA-N 1 3 287.451 3.387 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903379869 621721889 /nfs/dbraw/zinc/72/18/89/621721889.db2.gz ZRUAZLRRZMIJAF-DLBZAZTESA-N 1 3 275.440 3.243 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H](C1CC1)C1CCC1)c1cccnc1 ZINC000903379888 621722907 /nfs/dbraw/zinc/72/29/07/621722907.db2.gz ZXSWEHZOLGDAAT-ZWKOTPCHSA-N 1 3 287.451 3.243 20 0 CGADHO C[C@@H]1CCC[C@@H](N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903381863 621723684 /nfs/dbraw/zinc/72/36/84/621723684.db2.gz AIUWZYJUJBJJTI-DJIMGWMZSA-N 1 3 275.440 3.243 20 0 CGADHO [NH3+][C@@H](CNCCc1csc2ccccc12)CC(F)F ZINC000903924716 621834208 /nfs/dbraw/zinc/83/42/08/621834208.db2.gz HXYCMZLYSRPKDK-LLVKDONJSA-N 1 3 284.375 3.016 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904315470 621903638 /nfs/dbraw/zinc/90/36/38/621903638.db2.gz AZSVBWUUIHOPDA-AEFFLSMTSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904315470 621903641 /nfs/dbraw/zinc/90/36/41/621903641.db2.gz AZSVBWUUIHOPDA-AEFFLSMTSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@@H]2CCN(C[C@@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345554 621910465 /nfs/dbraw/zinc/91/04/65/621910465.db2.gz KCOAGKGCPRMTTB-MSOLQXFVSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@@H]2CC[N@H+](C[C@@]3(C)CCCNC3)C2)c1 ZINC000904345554 621910468 /nfs/dbraw/zinc/91/04/68/621910468.db2.gz KCOAGKGCPRMTTB-MSOLQXFVSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@@H]2CC[N@@H+](C[C@@]3(C)CCCNC3)C2)c1 ZINC000904345554 621910473 /nfs/dbraw/zinc/91/04/73/621910473.db2.gz KCOAGKGCPRMTTB-MSOLQXFVSA-N 1 3 272.436 3.174 20 0 CGADHO C[C@@H](Cc1cccs1)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904362012 621912918 /nfs/dbraw/zinc/91/29/18/621912918.db2.gz FRKRRVPXZLTOLT-STQMWFEESA-N 1 3 268.470 3.422 20 0 CGADHO COCc1cccc(C[NH2+]C[C@H](N)CCC(C)(C)C)c1 ZINC000904364235 621914815 /nfs/dbraw/zinc/91/48/15/621914815.db2.gz JEIJCTBJHQNVKR-MRXNPFEDSA-N 1 3 278.440 3.076 20 0 CGADHO C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923494042 626158424 /nfs/dbraw/zinc/15/84/24/626158424.db2.gz VMHPAQFRFOWWTR-AAEUAGOBSA-N 1 3 286.341 3.122 20 0 CGADHO C[C@@]1(Cc2cc(Cl)cs2)CCCN1CCC[NH3+] ZINC000923531478 626161542 /nfs/dbraw/zinc/16/15/42/626161542.db2.gz RTNUUEFPRYBAKF-ZDUSSCGKSA-N 1 3 272.845 3.147 20 0 CGADHO COc1ccc2c(c1)nccc2N1CCC(C[NH+](C)C)CC1 ZINC000765467693 627251449 /nfs/dbraw/zinc/25/14/49/627251449.db2.gz DEWKHZQVPDNBPJ-UHFFFAOYSA-N 1 3 299.418 3.021 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000773070563 627850207 /nfs/dbraw/zinc/85/02/07/627850207.db2.gz XRVZLHKIYKBNKG-WBVHZDCISA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000773070563 627850212 /nfs/dbraw/zinc/85/02/12/627850212.db2.gz XRVZLHKIYKBNKG-WBVHZDCISA-N 1 3 260.425 3.123 20 0 CGADHO C[C@H](NCCCCCCC[NH+]1CCCC1)c1nccn1C ZINC000775384792 628087566 /nfs/dbraw/zinc/08/75/66/628087566.db2.gz GTKUDQCYQFRDFV-INIZCTEOSA-N 1 3 292.471 3.117 20 0 CGADHO C[C@@H]1CC[C@@H](C)C1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000777131074 628251327 /nfs/dbraw/zinc/25/13/27/628251327.db2.gz XVSBJNLLTYXGMS-ZIAGYGMSSA-N 1 3 264.457 3.418 20 0 CGADHO CCC(CC)(CN[C@H](C)CCO)[NH2+][C@H](C)c1ccccc1 ZINC000779349059 628409643 /nfs/dbraw/zinc/40/96/43/628409643.db2.gz VEZZDQMSMPRQBO-HZPDHXFCSA-N 1 3 292.467 3.257 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2ccc(Cl)cc21 ZINC000863549101 629605227 /nfs/dbraw/zinc/60/52/27/629605227.db2.gz ZSYGZALAHSXMRA-BHDSKKPTSA-N 1 3 252.789 3.043 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])cc(C)c1OC(F)F ZINC000843127626 630564584 /nfs/dbraw/zinc/56/45/84/630564584.db2.gz FHHPYSPHGASOQH-NEPJUHHUSA-N 1 3 286.366 3.120 20 0 CGADHO [NH3+]CCCCCCNCc1csc(-c2ccsc2)n1 ZINC000843128581 630573994 /nfs/dbraw/zinc/57/39/94/630573994.db2.gz MYGGDKVACBOHJR-UHFFFAOYSA-N 1 3 295.477 3.480 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(SC(F)F)cc1 ZINC000817938961 632239751 /nfs/dbraw/zinc/23/97/51/632239751.db2.gz WLUKESNXXIDIDE-VIFPVBQESA-N 1 3 260.353 3.001 20 0 CGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817947745 632244267 /nfs/dbraw/zinc/24/42/67/632244267.db2.gz PSMLCUNSQRTFLU-XYPHTWIQSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000817972221 632266462 /nfs/dbraw/zinc/26/64/62/632266462.db2.gz VGANSJSPKUHJGM-HPBDAGMYSA-N 1 3 272.436 3.443 20 0 CGADHO Cc1cc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156685 634067084 /nfs/dbraw/zinc/06/70/84/634067084.db2.gz LEUNYLMMMZFCHO-PBHICJAKSA-N 1 3 291.439 3.103 20 0 CGADHO FC(F)(F)C1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000841088614 635119680 /nfs/dbraw/zinc/11/96/80/635119680.db2.gz BAMGHEJXNFQKGJ-BPCQOVAHSA-N 1 3 290.373 3.372 20 0 CGADHO CN1CC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573678 635814767 /nfs/dbraw/zinc/81/47/67/635814767.db2.gz PORRWJJMPWNSEB-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@H]21 ZINC000879573678 635814771 /nfs/dbraw/zinc/81/47/71/635814771.db2.gz PORRWJJMPWNSEB-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO CC1([NH+]2CCC2)CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000880475848 636008501 /nfs/dbraw/zinc/00/85/01/636008501.db2.gz ZCFYBDAIOISARI-ROUUACIJSA-N 1 3 284.447 3.350 20 0 CGADHO C[C@H](N[C@H]1c2ccccc2CC[C@H]1F)C1CC[NH+](C)CC1 ZINC000883375942 636715049 /nfs/dbraw/zinc/71/50/49/636715049.db2.gz CCLHUTDEAGVYOD-VHSSKADRSA-N 1 3 290.426 3.332 20 0 CGADHO CC1(C)C[C@@H](CN2CCC([NH2+]CC3CC3)CC2)C(C)(C)O1 ZINC000883417617 636748985 /nfs/dbraw/zinc/74/89/85/636748985.db2.gz HSRIZCFPBTWRIH-HNNXBMFYSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1nc(CNCCCCCCC[NH+]2CCCC2)[nH]c1C ZINC000850118919 636963787 /nfs/dbraw/zinc/96/37/87/636963787.db2.gz LVFGKCXLENINIE-UHFFFAOYSA-N 1 3 292.471 3.162 20 0 CGADHO CCCN1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885902931 637309446 /nfs/dbraw/zinc/30/94/46/637309446.db2.gz CNWDFAAAZCKHBI-GQCTYLIASA-N 1 3 276.399 3.303 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000886062524 637396313 /nfs/dbraw/zinc/39/63/13/637396313.db2.gz QSFPNCDZIRTCLY-BRWVUGGUSA-N 1 3 282.472 3.188 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCc2ccccc2)CC1 ZINC000886709693 637668122 /nfs/dbraw/zinc/66/81/22/637668122.db2.gz WWWUMJSXFSWYAB-UHFFFAOYSA-N 1 3 272.436 3.179 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCC2CCC2)CC1 ZINC000886719599 637671058 /nfs/dbraw/zinc/67/10/58/637671058.db2.gz AJPDSEACVCCJCF-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CCC1([NH+]2CCC2)CCN(CCC2CCC2)CC1 ZINC000886719599 637671068 /nfs/dbraw/zinc/67/10/68/637671068.db2.gz AJPDSEACVCCJCF-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853242039 637792775 /nfs/dbraw/zinc/79/27/75/637792775.db2.gz ZNKVUCLDYBBYKP-YESZJQIVSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924618409 638377757 /nfs/dbraw/zinc/37/77/57/638377757.db2.gz ZIRRZXAAYXCUNM-FUHWJXTLSA-N 1 3 289.467 3.113 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925222850 638478473 /nfs/dbraw/zinc/47/84/73/638478473.db2.gz UDAWLJCZJFPULN-UKRRQHHQSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000925221803 638479290 /nfs/dbraw/zinc/47/92/90/638479290.db2.gz PHVINBLOKJIDDQ-WMZOPIPTSA-N 1 3 296.499 3.148 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925609638 638544307 /nfs/dbraw/zinc/54/43/07/638544307.db2.gz AGRVMWNEJRILMV-IAGOWNOFSA-N 1 3 296.499 3.076 20 0 CGADHO CSC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCC1 ZINC000925656191 638557712 /nfs/dbraw/zinc/55/77/12/638557712.db2.gz ILADKXWYMAZVFV-CABCVRRESA-N 1 3 282.497 3.030 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925678812 638567206 /nfs/dbraw/zinc/56/72/06/638567206.db2.gz XHGZAMUEMATOBD-OKKOPOJRSA-N 1 3 288.410 3.190 20 0 CGADHO c1cncc(C[C@H]([NH2+][C@@H]2CCNC23CCC3)C2CCCC2)c1 ZINC000925728598 638584142 /nfs/dbraw/zinc/58/41/42/638584142.db2.gz LHNYLTOSVNQEQZ-ZWKOTPCHSA-N 1 3 299.462 3.057 20 0 CGADHO CCC[C@H](C)CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000925735287 638589596 /nfs/dbraw/zinc/58/95/96/638589596.db2.gz YJYWEQGBJOLWAG-QWHCGFSZSA-N 1 3 263.429 3.326 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777469 638609916 /nfs/dbraw/zinc/60/99/16/638609916.db2.gz PDJZJPLRWUMCHV-LRDDRELGSA-N 1 3 294.389 3.459 20 0 CGADHO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)CCC2 ZINC000925784466 638611543 /nfs/dbraw/zinc/61/15/43/638611543.db2.gz RXNMDCTXIWHNFF-SWLSCSKDSA-N 1 3 298.352 3.038 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805474 638617971 /nfs/dbraw/zinc/61/79/71/638617971.db2.gz TZAKNGPZPKBFJW-WBVHZDCISA-N 1 3 272.436 3.215 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)CCO2 ZINC000858490617 638741028 /nfs/dbraw/zinc/74/10/28/638741028.db2.gz KXHIQIGDOJMWIJ-HUUCEWRRSA-N 1 3 288.435 3.004 20 0 CGADHO CCC[NH+]1CCC(N(C)CCc2cccc(F)c2)CC1 ZINC000929777282 638949551 /nfs/dbraw/zinc/94/95/51/638949551.db2.gz JNCFZARIWOWOBW-UHFFFAOYSA-N 1 3 278.415 3.174 20 0 CGADHO CCC(CC)N1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC001255015427 806525675 /nfs/dbraw/zinc/52/56/75/806525675.db2.gz CFCNEETYXZLMAT-UHFFFAOYSA-N 1 3 286.463 3.396 20 0 CGADHO CCC(CC)[NH+]1CCC(NC2Cc3ccccc3C2)CC1 ZINC001255015427 806525680 /nfs/dbraw/zinc/52/56/80/806525680.db2.gz CFCNEETYXZLMAT-UHFFFAOYSA-N 1 3 286.463 3.396 20 0 CGADHO Fc1ccc(CC[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000131719041 799030070 /nfs/dbraw/zinc/03/00/70/799030070.db2.gz FBSKFHFIAQLDAA-UHFFFAOYSA-N 1 3 290.426 3.365 20 0 CGADHO Fc1ccc(CCNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000131719041 799030077 /nfs/dbraw/zinc/03/00/77/799030077.db2.gz FBSKFHFIAQLDAA-UHFFFAOYSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H]1CCN(Cc2c[nH]c3cc(Cl)ccc23)C[C@@H]1C[NH3+] ZINC000163385848 799082803 /nfs/dbraw/zinc/08/28/03/799082803.db2.gz AUDZFHDVXWIJIQ-NEPJUHHUSA-N 1 3 291.826 3.238 20 0 CGADHO c1cc2c[nH]cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c-2n1 ZINC001163215272 806724859 /nfs/dbraw/zinc/72/48/59/806724859.db2.gz IVAOEHAHPJZSSQ-ZBFHGGJFSA-N 1 3 278.359 3.078 20 0 CGADHO c1cc2cncc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c2[nH]1 ZINC001163215272 806724866 /nfs/dbraw/zinc/72/48/66/806724866.db2.gz IVAOEHAHPJZSSQ-ZBFHGGJFSA-N 1 3 278.359 3.078 20 0 CGADHO Nc1cc[nH+]c2cc(N[C@H]3CNCc4ccsc43)ccc12 ZINC001163229827 806730912 /nfs/dbraw/zinc/73/09/12/806730912.db2.gz LOFVJJYJZLRVGY-HNNXBMFYSA-N 1 3 296.399 3.135 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cccnc3Cl)CC2)CC1 ZINC000691939710 799790131 /nfs/dbraw/zinc/79/01/31/799790131.db2.gz WCXIEUANUDNVCL-UHFFFAOYSA-N 1 3 293.842 3.043 20 0 CGADHO C[C@H](CC[NH2+]C1CCC(C(F)(F)F)CC1)N(C)C ZINC000697888208 799849904 /nfs/dbraw/zinc/84/99/04/799849904.db2.gz IMQVXUVOLFMBQI-VOMCLLRMSA-N 1 3 266.351 3.037 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(C)s1 ZINC001255943166 806791634 /nfs/dbraw/zinc/79/16/34/806791634.db2.gz JNDPSUQQEUZSSF-ZDUSSCGKSA-N 1 3 268.470 3.309 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001255963331 806800589 /nfs/dbraw/zinc/80/05/89/806800589.db2.gz FRTAOOWGMKCVMO-FUHWJXTLSA-N 1 3 289.467 3.209 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001255963331 806800597 /nfs/dbraw/zinc/80/05/97/806800597.db2.gz FRTAOOWGMKCVMO-FUHWJXTLSA-N 1 3 289.467 3.209 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC12CCCCC2 ZINC001255950305 806795825 /nfs/dbraw/zinc/79/58/25/806795825.db2.gz HEEGLSWBSGLHSW-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)Cc1ccccn1 ZINC001255953465 806796375 /nfs/dbraw/zinc/79/63/75/806796375.db2.gz RNMOUWCNJDLOGL-HNNXBMFYSA-N 1 3 277.456 3.113 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NC(C)(C)Cc1ccccn1 ZINC001255953465 806796380 /nfs/dbraw/zinc/79/63/80/806796380.db2.gz RNMOUWCNJDLOGL-HNNXBMFYSA-N 1 3 277.456 3.113 20 0 CGADHO C1CC12CCC([N@@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC000710174652 800030796 /nfs/dbraw/zinc/03/07/96/800030796.db2.gz ZYWWAQBNQSBYNX-QGZVFWFLSA-N 1 3 262.441 3.175 20 0 CGADHO C1CC12CCC([N@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC000710174652 800030799 /nfs/dbraw/zinc/03/07/99/800030799.db2.gz ZYWWAQBNQSBYNX-QGZVFWFLSA-N 1 3 262.441 3.175 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)c1ccc(F)cn1 ZINC001255954345 806797279 /nfs/dbraw/zinc/79/72/79/806797279.db2.gz UYRPWXHOQKJSOY-AWEZNQCLSA-N 1 3 295.446 3.208 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCN1 ZINC000714270803 800117788 /nfs/dbraw/zinc/11/77/88/800117788.db2.gz ZXZHRHJWYNHPIU-ZJIFWQFVSA-N 1 3 264.457 3.466 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000715504148 800136310 /nfs/dbraw/zinc/13/63/10/800136310.db2.gz BSGCFSOZKWLWFT-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000718756057 800221765 /nfs/dbraw/zinc/22/17/65/800221765.db2.gz WCZFMTMKBLEPLI-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCN1 ZINC000723665315 800336399 /nfs/dbraw/zinc/33/63/99/800336399.db2.gz XLZPVTIEELKTAV-LYYZXLFJSA-N 1 3 250.430 3.075 20 0 CGADHO CCN(CC)Cc1cccc(N[C@H](C)C[NH+](C)C)c1F ZINC001163785893 806827753 /nfs/dbraw/zinc/82/77/53/806827753.db2.gz JEKYVHXBDSRUPR-CYBMUJFWSA-N 1 3 281.419 3.030 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000822128029 800459689 /nfs/dbraw/zinc/45/96/89/800459689.db2.gz LSSDBEXQLXNGNH-JKSUJKDBSA-N 1 3 264.388 3.351 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CCC(C)C)C[C@H]2C1 ZINC001256371004 806874953 /nfs/dbraw/zinc/87/49/53/806874953.db2.gz FCVSUGFQJOHWKF-BZUAXINKSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](N)c1ccn([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256525874 806909601 /nfs/dbraw/zinc/90/96/01/806909601.db2.gz GHFDYMRZBVHACA-VYDXJSESSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1ccn([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256525874 806909605 /nfs/dbraw/zinc/90/96/05/806909605.db2.gz GHFDYMRZBVHACA-VYDXJSESSA-N 1 3 298.434 3.128 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(F)cc2)CC1 ZINC001256558222 806914421 /nfs/dbraw/zinc/91/44/21/806914421.db2.gz KWYGXPFJCVXXCY-UHFFFAOYSA-N 1 3 294.414 3.057 20 0 CGADHO Cc1ccccc1CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256554493 806914781 /nfs/dbraw/zinc/91/47/81/806914781.db2.gz HVPDSRHQSKYMEF-UHFFFAOYSA-N 1 3 274.452 3.390 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001256568685 806918197 /nfs/dbraw/zinc/91/81/97/806918197.db2.gz AYNMUQHGXZYOGZ-KRWDZBQOSA-N 1 3 287.451 3.312 20 0 CGADHO Cc1cccc(C(C)(C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001256620280 806928696 /nfs/dbraw/zinc/92/86/96/806928696.db2.gz UXGRFZGIHKCUNW-ALOPSCKCSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc(C(C)(C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256620280 806928699 /nfs/dbraw/zinc/92/86/99/806928699.db2.gz UXGRFZGIHKCUNW-ALOPSCKCSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682769 806947433 /nfs/dbraw/zinc/94/74/33/806947433.db2.gz PUDQMMHMJGFIKA-NUWOQIAWSA-N 1 3 282.472 3.044 20 0 CGADHO C1CN(C2CCC([NH2+]C3CCCCCCC3)CC2)CCO1 ZINC001256681851 806947494 /nfs/dbraw/zinc/94/74/94/806947494.db2.gz DLBLVINNBUXFQT-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@@H](c1c(F)cccc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118263521 802543162 /nfs/dbraw/zinc/54/31/62/802543162.db2.gz ILJZHZSCXRVJBK-ZDUSSCGKSA-N 1 3 294.389 3.491 20 0 CGADHO Cc1cccc(C(=[NH2+])N[C@H]2CCCN(C3CCCC3)C2)c1 ZINC001256905457 807007587 /nfs/dbraw/zinc/00/75/87/807007587.db2.gz RPKJZXUMIWMIFP-INIZCTEOSA-N 1 3 285.435 3.317 20 0 CGADHO Cc1ccc2nc(C[N@H+]3CC[C@]4(CCN(C)C4)C3)ccc2c1 ZINC001137217025 803698584 /nfs/dbraw/zinc/69/85/84/803698584.db2.gz HDRRQYAYBLMCKL-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccc2nc(C[N@@H+]3CC[C@]4(CCN(C)C4)C3)ccc2c1 ZINC001137217025 803698586 /nfs/dbraw/zinc/69/85/86/803698586.db2.gz HDRRQYAYBLMCKL-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246074429 804111981 /nfs/dbraw/zinc/11/19/81/804111981.db2.gz PFXICQDGRMYNSK-CVEARBPZSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@]1([NH2+][C@H]2CCCC3(CCCCC3)C2)CCNC1 ZINC001246097017 804130110 /nfs/dbraw/zinc/13/01/10/804130110.db2.gz MKFRDDQUDMBUDV-GJZGRUSLSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@@]1([NH2+]C2CCC(c3ccccc3)CC2)CCNC1 ZINC001246099580 804131443 /nfs/dbraw/zinc/13/14/43/804131443.db2.gz XTLFSNZQGBPZRS-OFLPRAFFSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246107086 804140196 /nfs/dbraw/zinc/14/01/96/804140196.db2.gz YXSCIWZTYPZVIO-MJBXVCDLSA-N 1 3 296.455 3.142 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@H]1CCC[NH2+]C[C@H]1C ZINC001246118580 804151400 /nfs/dbraw/zinc/15/14/00/804151400.db2.gz SKIOGNPPFXXXGO-IOASZLSFSA-N 1 3 296.455 3.284 20 0 CGADHO c1ccc(CC2CCC([NH2+][C@H]3CNCC34CC4)CC2)cc1 ZINC001246127171 804154465 /nfs/dbraw/zinc/15/44/65/804154465.db2.gz AXKBLUHCCKMZRP-ABHNRTSZSA-N 1 3 284.447 3.130 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)[NH2+]CCCN)ccc2c1 ZINC001246150660 804169237 /nfs/dbraw/zinc/16/92/37/804169237.db2.gz BGSRTQBKJSDPAZ-CQSZACIVSA-N 1 3 286.419 3.108 20 0 CGADHO c1ccc(Oc2cccc(CC[NH2+]C3CCNCC3)c2)cc1 ZINC001246157820 804174439 /nfs/dbraw/zinc/17/44/39/804174439.db2.gz ILELTJAWTSSHAB-UHFFFAOYSA-N 1 3 296.414 3.363 20 0 CGADHO c1ccc(Oc2cccc(CCNC3CC[NH2+]CC3)c2)cc1 ZINC001246157820 804174444 /nfs/dbraw/zinc/17/44/44/804174444.db2.gz ILELTJAWTSSHAB-UHFFFAOYSA-N 1 3 296.414 3.363 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)NC[C@@H]1CCCC[NH2+]1 ZINC001246166775 804183081 /nfs/dbraw/zinc/18/30/81/804183081.db2.gz CBEWSCPEABPBHI-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO CCC[C@@H](Cc1ccccc1)NC[C@@H]1CCCC[NH2+]1 ZINC001246169389 804183902 /nfs/dbraw/zinc/18/39/02/804183902.db2.gz NGIFKKJOSLNDIQ-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246174047 804188255 /nfs/dbraw/zinc/18/82/55/804188255.db2.gz WLQPGVUSXFRTPR-PVGHXWSTSA-N 1 3 276.468 3.323 20 0 CGADHO CC(C)(Cc1ccc(Cl)cc1)[NH2+]C1CCNCC1 ZINC001246181369 804195263 /nfs/dbraw/zinc/19/52/63/804195263.db2.gz XOMIDURVZOFMMW-UHFFFAOYSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246192527 804201937 /nfs/dbraw/zinc/20/19/37/804201937.db2.gz SNUKILOEOJJOHR-SXROFAGNSA-N 1 3 276.468 3.321 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC001246210852 804208403 /nfs/dbraw/zinc/20/84/03/804208403.db2.gz NRWRKUFHGAHGHR-NXHRZFHOSA-N 1 3 274.452 3.231 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246223643 804217255 /nfs/dbraw/zinc/21/72/55/804217255.db2.gz SKCXMHXTYHIBLB-ZNMIVQPWSA-N 1 3 258.425 3.129 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246233865 804226844 /nfs/dbraw/zinc/22/68/44/804226844.db2.gz BULJYDYBOCAVQZ-SJORKVTESA-N 1 3 290.451 3.356 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2C[C@@H](C)N[C@H](C)C2)CC(C)(C)C1 ZINC001246252370 804237775 /nfs/dbraw/zinc/23/77/75/804237775.db2.gz VUWDUHLMJAAJLC-JLNYLFASSA-N 1 3 252.446 3.320 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CCN1 ZINC001246251656 804238418 /nfs/dbraw/zinc/23/84/18/804238418.db2.gz RVMBQRIYZVFGIW-KBUPBQIOSA-N 1 3 252.446 3.321 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246266645 804246135 /nfs/dbraw/zinc/24/61/35/804246135.db2.gz ONWGFZVWKBKCLU-HUUCEWRRSA-N 1 3 298.471 3.009 20 0 CGADHO CCC[NH2+]CCN[C@H]1CCCC2(CCCCC2)C1 ZINC001246273334 804249168 /nfs/dbraw/zinc/24/91/68/804249168.db2.gz ZEDZJTRWNYAEAN-HNNXBMFYSA-N 1 3 252.446 3.469 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N[C@@H](C)CC[NH3+] ZINC001246300434 804267036 /nfs/dbraw/zinc/26/70/36/804267036.db2.gz NVYIZERQDHMZDB-WDEREUQCSA-N 1 3 272.845 3.148 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246305092 804270390 /nfs/dbraw/zinc/27/03/90/804270390.db2.gz OONTYHUWMYUTSR-JKSUJKDBSA-N 1 3 292.854 3.318 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]Cc2cccc3sccc32)CN1 ZINC001246317884 804278011 /nfs/dbraw/zinc/27/80/11/804278011.db2.gz OPZBMOZGKQCIEA-AAEUAGOBSA-N 1 3 260.406 3.131 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CCN1 ZINC001246324326 804282673 /nfs/dbraw/zinc/28/26/73/804282673.db2.gz GWRKTALGQGZNLC-HJODOSNWSA-N 1 3 284.447 3.299 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246329307 804284444 /nfs/dbraw/zinc/28/44/44/804284444.db2.gz UYDCZWSITUNRMI-GDBMZVCRSA-N 1 3 296.405 3.264 20 0 CGADHO CC1(C)CC[NH2+]C[C@H]1N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332598 804288272 /nfs/dbraw/zinc/28/82/72/804288272.db2.gz QJQIZUGBBQAKNY-BRWVUGGUSA-N 1 3 272.436 3.300 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@@H]2CCC[NH2+]CC2)c1F ZINC001246343201 804295034 /nfs/dbraw/zinc/29/50/34/804295034.db2.gz JSMSKWORLDYTQC-GFCCVEGCSA-N 1 3 284.806 3.062 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CCN1 ZINC001246345497 804296096 /nfs/dbraw/zinc/29/60/96/804296096.db2.gz BLOUYINMZCOKBY-QLFBSQMISA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246347546 804297686 /nfs/dbraw/zinc/29/76/86/804297686.db2.gz PRVACJNPXQCMLW-WNRNVDISSA-N 1 3 272.436 3.270 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCNCC1(C)C ZINC001246369910 804308635 /nfs/dbraw/zinc/30/86/35/804308635.db2.gz DNDGOZAMMAODTR-KKUMJFAQSA-N 1 3 254.462 3.425 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C(C)(C)C2CCCCC2)CCN1 ZINC001246357139 804300963 /nfs/dbraw/zinc/30/09/63/804300963.db2.gz WPQGYWQQWATBIM-HUUCEWRRSA-N 1 3 252.446 3.466 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCNCC1(C)C ZINC001246378216 804311045 /nfs/dbraw/zinc/31/10/45/804311045.db2.gz UIVJCYWXTLHKBS-DLBZAZTESA-N 1 3 274.452 3.376 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246378656 804311832 /nfs/dbraw/zinc/31/18/32/804311832.db2.gz YDGUUIIUAPRPEE-CJNGLKHVSA-N 1 3 292.854 3.175 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246383415 804314325 /nfs/dbraw/zinc/31/43/25/804314325.db2.gz JKFSTHODJZIRKX-CJNGLKHVSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2(CC3CC3)CCNCC2)C[C@@H](C)C1 ZINC001246380093 804314624 /nfs/dbraw/zinc/31/46/24/804314624.db2.gz DHNMXEDCJNIRGA-FOLVSLTJSA-N 1 3 264.457 3.323 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246385810 804316031 /nfs/dbraw/zinc/31/60/31/804316031.db2.gz FFUHOOYREUWUHD-MRXNPFEDSA-N 1 3 284.488 3.484 20 0 CGADHO CCC[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246388705 804318048 /nfs/dbraw/zinc/31/80/48/804318048.db2.gz GBGIBDSXQZHRLB-CQSZACIVSA-N 1 3 278.415 3.269 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC(C)(C)C1)CC1CCC1 ZINC001246389882 804318585 /nfs/dbraw/zinc/31/85/85/804318585.db2.gz LOYUEWRQDBJVPU-AWEZNQCLSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C[C@H]1C ZINC001246396541 804320765 /nfs/dbraw/zinc/32/07/65/804320765.db2.gz ZYAWVVAMWAOTMV-FMKPAKJESA-N 1 3 264.457 3.323 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246431045 804329045 /nfs/dbraw/zinc/32/90/45/804329045.db2.gz INULDZZTJGHIQS-CZUORRHYSA-N 1 3 278.415 3.125 20 0 CGADHO Clc1ccc(C2CCC([NH2+][C@@H]3CC34CNC4)CC2)cc1 ZINC001246442614 804334018 /nfs/dbraw/zinc/33/40/18/804334018.db2.gz DJKJUXRHHDRWQK-AVVWSFFYSA-N 1 3 290.838 3.318 20 0 CGADHO Clc1ccc(C2CCC(N[C@@H]3CC34C[NH2+]C4)CC2)cc1 ZINC001246442614 804334026 /nfs/dbraw/zinc/33/40/26/804334026.db2.gz DJKJUXRHHDRWQK-AVVWSFFYSA-N 1 3 290.838 3.318 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246447137 804335435 /nfs/dbraw/zinc/33/54/35/804335435.db2.gz OWHOMIOCEMBDSY-HOTGVXAUSA-N 1 3 296.499 3.482 20 0 CGADHO CC[C@@]1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC001246457360 804337951 /nfs/dbraw/zinc/33/79/51/804337951.db2.gz SRLMMYHQGLQXTQ-UPJWGTAASA-N 1 3 278.362 3.229 20 0 CGADHO CC[C@@]1(CN[C@H]2C[C@@H](C)CC(C)(C)C2)CCC[NH2+]1 ZINC001246455666 804338823 /nfs/dbraw/zinc/33/88/23/804338823.db2.gz IWRTXCAYIIOANS-YCPHGPKFSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)C[C@H](C)N1 ZINC001246466137 804345836 /nfs/dbraw/zinc/34/58/36/804345836.db2.gz MOFBGSCNOBXOSI-YALNPMBYSA-N 1 3 272.436 3.225 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246493211 804358261 /nfs/dbraw/zinc/35/82/61/804358261.db2.gz AJFLYEGELCWSLP-RWMBFGLXSA-N 1 3 299.245 3.191 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246493211 804358267 /nfs/dbraw/zinc/35/82/67/804358267.db2.gz AJFLYEGELCWSLP-RWMBFGLXSA-N 1 3 299.245 3.191 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCCNC1 ZINC001246496508 804360589 /nfs/dbraw/zinc/36/05/89/804360589.db2.gz JPYLDVYJDBOQQX-RDJZCZTQSA-N 1 3 258.409 3.186 20 0 CGADHO C1[NH2+][C@H]2C[C@@H]1C[C@@H]2N[C@H]1CCCC2(CCCCC2)C1 ZINC001246495339 804361253 /nfs/dbraw/zinc/36/12/53/804361253.db2.gz OOTJPWSBXVLVNB-UGUYLWEFSA-N 1 3 262.441 3.220 20 0 CGADHO [NH3+]C[C@@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506738 804365187 /nfs/dbraw/zinc/36/51/87/804365187.db2.gz JKUVCSRRTPBRHR-HZSPNIEDSA-N 1 3 286.341 3.397 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246513848 804369677 /nfs/dbraw/zinc/36/96/77/804369677.db2.gz FHWYJESLINRPRR-CVEARBPZSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246517846 804372038 /nfs/dbraw/zinc/37/20/38/804372038.db2.gz NBBKXZMHNQFAFP-INIZCTEOSA-N 1 3 254.462 3.281 20 0 CGADHO CCC(C)(C)C1CCC(N2CCO[C@H](CC[NH3+])C2)CC1 ZINC001246535414 804386799 /nfs/dbraw/zinc/38/67/99/804386799.db2.gz KYERFYZJNZOILZ-UYSNPLJNSA-N 1 3 282.472 3.031 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C)C2)c1 ZINC001246538815 804388714 /nfs/dbraw/zinc/38/87/14/804388714.db2.gz OFMFDEBGURHIQK-DJIMGWMZSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C)C2)c1 ZINC001246538815 804388722 /nfs/dbraw/zinc/38/87/22/804388722.db2.gz OFMFDEBGURHIQK-DJIMGWMZSA-N 1 3 258.409 3.272 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246544897 804393239 /nfs/dbraw/zinc/39/32/39/804393239.db2.gz HVUZOCCBWLEUKJ-MSOLQXFVSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](N)CC1 ZINC001246544897 804393242 /nfs/dbraw/zinc/39/32/42/804393242.db2.gz HVUZOCCBWLEUKJ-MSOLQXFVSA-N 1 3 274.452 3.457 20 0 CGADHO C[C@]1([NH3+])CCCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554489 804403940 /nfs/dbraw/zinc/40/39/40/804403940.db2.gz VJUMAYQGOGWXOT-PBHICJAKSA-N 1 3 292.854 3.401 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246554528 804404585 /nfs/dbraw/zinc/40/45/85/804404585.db2.gz VZJGPHFCKHJTGC-RDBSUJKOSA-N 1 3 296.455 3.223 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246561803 804409250 /nfs/dbraw/zinc/40/92/50/804409250.db2.gz GIDAEVJDSWWZAQ-USXIJHARSA-N 1 3 260.425 3.067 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246561803 804409255 /nfs/dbraw/zinc/40/92/55/804409255.db2.gz GIDAEVJDSWWZAQ-USXIJHARSA-N 1 3 260.425 3.067 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563779 804414304 /nfs/dbraw/zinc/41/43/04/804414304.db2.gz BYJILGJRWJIIOR-FMKPAKJESA-N 1 3 270.436 3.367 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563779 804414307 /nfs/dbraw/zinc/41/43/07/804414307.db2.gz BYJILGJRWJIIOR-FMKPAKJESA-N 1 3 270.436 3.367 20 0 CGADHO NC[C@H]1CCCC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584829 804427524 /nfs/dbraw/zinc/42/75/24/804427524.db2.gz VBPUUXDCGBMXIQ-NXHRZFHOSA-N 1 3 272.436 3.384 20 0 CGADHO NC[C@H]1CCCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584829 804427527 /nfs/dbraw/zinc/42/75/27/804427527.db2.gz VBPUUXDCGBMXIQ-NXHRZFHOSA-N 1 3 272.436 3.384 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593345 804435555 /nfs/dbraw/zinc/43/55/55/804435555.db2.gz MECBADNIJMQYQF-YESZJQIVSA-N 1 3 284.488 3.433 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246593345 804435559 /nfs/dbraw/zinc/43/55/59/804435559.db2.gz MECBADNIJMQYQF-YESZJQIVSA-N 1 3 284.488 3.433 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@]23CCCNC3)C[C@@H](C)C1 ZINC001246606248 804441519 /nfs/dbraw/zinc/44/15/19/804441519.db2.gz DJDFKLRVHHASLF-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@]23CCCNC3)C[C@@H](C)C1 ZINC001246606248 804441521 /nfs/dbraw/zinc/44/15/21/804441521.db2.gz DJDFKLRVHHASLF-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610805 804444725 /nfs/dbraw/zinc/44/47/25/804444725.db2.gz NZYIRCSNJFBDAR-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246614335 804448970 /nfs/dbraw/zinc/44/89/70/804448970.db2.gz RUDCLFWYTSCZCX-GDBMZVCRSA-N 1 3 284.513 3.372 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246614335 804448973 /nfs/dbraw/zinc/44/89/73/804448973.db2.gz RUDCLFWYTSCZCX-GDBMZVCRSA-N 1 3 284.513 3.372 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246622250 804455284 /nfs/dbraw/zinc/45/52/84/804455284.db2.gz QIQUYVADRXSXOO-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631874 804462497 /nfs/dbraw/zinc/46/24/97/804462497.db2.gz UALHDKOMPQBZKS-XLAORIBOSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631874 804462500 /nfs/dbraw/zinc/46/25/00/804462500.db2.gz UALHDKOMPQBZKS-XLAORIBOSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631874 804462503 /nfs/dbraw/zinc/46/25/03/804462503.db2.gz UALHDKOMPQBZKS-XLAORIBOSA-N 1 3 270.420 3.007 20 0 CGADHO CCCCC[C@@H](CC)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246637242 804466293 /nfs/dbraw/zinc/46/62/93/804466293.db2.gz MRDIPYFZQKGYFC-SJORKVTESA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@@H](CC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246637242 804466296 /nfs/dbraw/zinc/46/62/96/804466296.db2.gz MRDIPYFZQKGYFC-SJORKVTESA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@@H](CC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246637242 804466303 /nfs/dbraw/zinc/46/63/03/804466303.db2.gz MRDIPYFZQKGYFC-SJORKVTESA-N 1 3 282.472 3.047 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC2(C=Cc3ccccc32)CC1 ZINC001246649145 804476686 /nfs/dbraw/zinc/47/66/86/804476686.db2.gz VQBQJDYDKGGELE-OAHLLOKOSA-N 1 3 270.420 3.045 20 0 CGADHO Cc1ccc(CC[C@@H](C)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246667782 804488150 /nfs/dbraw/zinc/48/81/50/804488150.db2.gz VHMHUBSWSGHILI-KBAYOESNSA-N 1 3 272.436 3.129 20 0 CGADHO CC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675892 804490632 /nfs/dbraw/zinc/49/06/32/804490632.db2.gz YVJKZBVXSAVLCU-JQHSSLGASA-N 1 3 272.436 3.038 20 0 CGADHO CC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246675892 804490637 /nfs/dbraw/zinc/49/06/37/804490637.db2.gz YVJKZBVXSAVLCU-JQHSSLGASA-N 1 3 272.436 3.038 20 0 CGADHO CCCCC1CC[NH+]([C@@H]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001246680112 804494859 /nfs/dbraw/zinc/49/48/59/804494859.db2.gz HXOUUTRTRUGOSI-MIFYACCESA-N 1 3 252.446 3.418 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@@H+](C1CCCCCCC1)C2 ZINC001246690643 804497331 /nfs/dbraw/zinc/49/73/31/804497331.db2.gz KYBIPEPOZMBTIR-CVEARBPZSA-N 1 3 268.420 3.123 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690643 804497337 /nfs/dbraw/zinc/49/73/37/804497337.db2.gz KYBIPEPOZMBTIR-CVEARBPZSA-N 1 3 268.420 3.123 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246692216 804498718 /nfs/dbraw/zinc/49/87/18/804498718.db2.gz NBFNJSNSPUMTGC-YHUYYLMFSA-N 1 3 270.436 3.225 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246692216 804498721 /nfs/dbraw/zinc/49/87/21/804498721.db2.gz NBFNJSNSPUMTGC-YHUYYLMFSA-N 1 3 270.436 3.225 20 0 CGADHO CCCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C)C1 ZINC001246771284 804504566 /nfs/dbraw/zinc/50/45/66/804504566.db2.gz XWIZBVUERVJOOD-NVXWUHKLSA-N 1 3 260.425 3.429 20 0 CGADHO CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](C)C1 ZINC001246771284 804504569 /nfs/dbraw/zinc/50/45/69/804504569.db2.gz XWIZBVUERVJOOD-NVXWUHKLSA-N 1 3 260.425 3.429 20 0 CGADHO CCCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246771284 804504573 /nfs/dbraw/zinc/50/45/73/804504573.db2.gz XWIZBVUERVJOOD-NVXWUHKLSA-N 1 3 260.425 3.429 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779674 804507708 /nfs/dbraw/zinc/50/77/08/804507708.db2.gz SWXKUPJMZYJPMQ-KURKYZTESA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779674 804507711 /nfs/dbraw/zinc/50/77/11/804507711.db2.gz SWXKUPJMZYJPMQ-KURKYZTESA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@@H](N2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779674 804507714 /nfs/dbraw/zinc/50/77/14/804507714.db2.gz SWXKUPJMZYJPMQ-KURKYZTESA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779673 804508668 /nfs/dbraw/zinc/50/86/68/804508668.db2.gz SWXKUPJMZYJPMQ-KSZLIROESA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779673 804508669 /nfs/dbraw/zinc/50/86/69/804508669.db2.gz SWXKUPJMZYJPMQ-KSZLIROESA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779673 804508671 /nfs/dbraw/zinc/50/86/71/804508671.db2.gz SWXKUPJMZYJPMQ-KSZLIROESA-N 1 3 272.436 3.397 20 0 CGADHO Fc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246787486 804511717 /nfs/dbraw/zinc/51/17/17/804511717.db2.gz QDRYZVSHSSKWFE-JWTNVVGKSA-N 1 3 288.410 3.288 20 0 CGADHO c1ccc(C[C@H]2CC[N@@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790442 804513584 /nfs/dbraw/zinc/51/35/84/804513584.db2.gz FZKGWNFQCNDKPK-MSOLQXFVSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(C[C@H]2CC[N@H+]([C@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790442 804513588 /nfs/dbraw/zinc/51/35/88/804513588.db2.gz FZKGWNFQCNDKPK-MSOLQXFVSA-N 1 3 284.447 3.226 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N1CCC([NH2+]C)CC1 ZINC001246808767 804527349 /nfs/dbraw/zinc/52/73/49/804527349.db2.gz YXMFPTUTDVRVER-SFHVURJKSA-N 1 3 274.452 3.472 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2[C@H]2CCC[NH2+]CC2)cc1 ZINC001246820029 804535496 /nfs/dbraw/zinc/53/54/96/804535496.db2.gz DUMOKPCMQPCHKU-WMZOPIPTSA-N 1 3 288.435 3.364 20 0 CGADHO CN(CCc1ccc(F)cc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246825585 804538455 /nfs/dbraw/zinc/53/84/55/804538455.db2.gz VVIHICFFAPZNNZ-DLBZAZTESA-N 1 3 292.442 3.467 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246842014 804550759 /nfs/dbraw/zinc/55/07/59/804550759.db2.gz SMBIXBWNCUTSCM-QXSJWSMHSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246842014 804550763 /nfs/dbraw/zinc/55/07/63/804550763.db2.gz SMBIXBWNCUTSCM-QXSJWSMHSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1C[C@@H]([NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](CC)N1 ZINC001246843394 804552207 /nfs/dbraw/zinc/55/22/07/804552207.db2.gz WALPZKQSMSITMD-GVRJEKJASA-N 1 3 252.446 3.274 20 0 CGADHO Cc1ccc(SC[C@H](C)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001246845802 804553340 /nfs/dbraw/zinc/55/33/40/804553340.db2.gz LZOFKRZPFDVTOB-JYJNAYRXSA-N 1 3 290.476 3.017 20 0 CGADHO COc1cccc([C@H]2CCCN2[C@H]2CC[NH2+]C(C)(C)C2)c1 ZINC001246845415 804553862 /nfs/dbraw/zinc/55/38/62/804553862.db2.gz FZUKFSPDASGAPJ-DOTOQJQBSA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@H]2CCC[N@@H+]2[C@H]2CCNC(C)(C)C2)c1 ZINC001246845415 804553865 /nfs/dbraw/zinc/55/38/65/804553865.db2.gz FZUKFSPDASGAPJ-DOTOQJQBSA-N 1 3 288.435 3.363 20 0 CGADHO COc1cccc([C@H]2CCC[N@H+]2[C@H]2CCNC(C)(C)C2)c1 ZINC001246845415 804553870 /nfs/dbraw/zinc/55/38/70/804553870.db2.gz FZUKFSPDASGAPJ-DOTOQJQBSA-N 1 3 288.435 3.363 20 0 CGADHO C[N@H+](C[C@H]1CC1(C)C)[C@H]1CCNC2(CCCCC2)C1 ZINC001246847333 804556430 /nfs/dbraw/zinc/55/64/30/804556430.db2.gz TTZUCTXSVADMDL-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](C[C@H]1CC1(C)C)[C@H]1CCNC2(CCCCC2)C1 ZINC001246847333 804556436 /nfs/dbraw/zinc/55/64/36/804556436.db2.gz TTZUCTXSVADMDL-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850236 804559314 /nfs/dbraw/zinc/55/93/14/804559314.db2.gz INUPMCRATMKHEO-JGGQBBKZSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850236 804559318 /nfs/dbraw/zinc/55/93/18/804559318.db2.gz INUPMCRATMKHEO-JGGQBBKZSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850236 804559323 /nfs/dbraw/zinc/55/93/23/804559323.db2.gz INUPMCRATMKHEO-JGGQBBKZSA-N 1 3 278.827 3.270 20 0 CGADHO CC[C@@H]1C[C@@H](N2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849990 804560336 /nfs/dbraw/zinc/56/03/36/804560336.db2.gz SQEJVWCEHIZFQP-UAGQMJEPSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849990 804560340 /nfs/dbraw/zinc/56/03/40/804560340.db2.gz SQEJVWCEHIZFQP-UAGQMJEPSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849990 804560346 /nfs/dbraw/zinc/56/03/46/804560346.db2.gz SQEJVWCEHIZFQP-UAGQMJEPSA-N 1 3 276.399 3.146 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851070 804560494 /nfs/dbraw/zinc/56/04/94/804560494.db2.gz YDOWTOAQIKZTJG-SZMVWBNQSA-N 1 3 290.426 3.392 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850235 804560624 /nfs/dbraw/zinc/56/06/24/804560624.db2.gz INUPMCRATMKHEO-IVMMDQJWSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850235 804560627 /nfs/dbraw/zinc/56/06/27/804560627.db2.gz INUPMCRATMKHEO-IVMMDQJWSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850235 804560630 /nfs/dbraw/zinc/56/06/30/804560630.db2.gz INUPMCRATMKHEO-IVMMDQJWSA-N 1 3 278.827 3.270 20 0 CGADHO C1[C@H]2CCNC[C@H]2C[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849303 804560817 /nfs/dbraw/zinc/56/08/17/804560817.db2.gz ZPWFZAZVRSCURZ-CVEARBPZSA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@H]2CCNC[C@H]2C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849303 804560820 /nfs/dbraw/zinc/56/08/20/804560820.db2.gz ZPWFZAZVRSCURZ-CVEARBPZSA-N 1 3 276.468 3.421 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2C2CCCCC2)CCN1 ZINC001246861376 804565139 /nfs/dbraw/zinc/56/51/39/804565139.db2.gz JMNLGYSHVZOFMK-NUEKZKHPSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2C2CCCCC2)CCN1 ZINC001246861376 804565144 /nfs/dbraw/zinc/56/51/44/804565144.db2.gz JMNLGYSHVZOFMK-NUEKZKHPSA-N 1 3 250.430 3.172 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246868319 804572244 /nfs/dbraw/zinc/57/22/44/804572244.db2.gz RWUHOTAUGVTINK-XOYOTBSWSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246868319 804572245 /nfs/dbraw/zinc/57/22/45/804572245.db2.gz RWUHOTAUGVTINK-XOYOTBSWSA-N 1 3 270.420 3.007 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CC2(C1)CCC[NH2+]CC2 ZINC001246882574 804578706 /nfs/dbraw/zinc/57/87/06/804578706.db2.gz ZAGVNMQBDGBJIV-CQSZACIVSA-N 1 3 292.854 3.347 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246906016 804592109 /nfs/dbraw/zinc/59/21/09/804592109.db2.gz CGPCUQKDDJVEOH-PIIMJCKOSA-N 1 3 272.436 3.490 20 0 CGADHO CC[N@H+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246906016 804592112 /nfs/dbraw/zinc/59/21/12/804592112.db2.gz CGPCUQKDDJVEOH-PIIMJCKOSA-N 1 3 272.436 3.490 20 0 CGADHO CC[N@@H+](Cc1ccc(C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246906016 804592115 /nfs/dbraw/zinc/59/21/15/804592115.db2.gz CGPCUQKDDJVEOH-PIIMJCKOSA-N 1 3 272.436 3.490 20 0 CGADHO CCCCC[C@@H](CC)[N@H+](CCOC)[C@H]1CCCNC1 ZINC001246929775 804604905 /nfs/dbraw/zinc/60/49/05/804604905.db2.gz QIVCYXZUFLIHJN-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCC[C@@H](CC)[N@@H+](CCOC)[C@H]1CCCNC1 ZINC001246929775 804604907 /nfs/dbraw/zinc/60/49/07/804604907.db2.gz QIVCYXZUFLIHJN-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO [NH3+]C[C@]1(F)CCN(C2CCC3(CCCCC3)CC2)C1 ZINC001246943400 804611992 /nfs/dbraw/zinc/61/19/92/804611992.db2.gz BAGRNKXXSFXCBW-MRXNPFEDSA-N 1 3 268.420 3.252 20 0 CGADHO C[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966328 804620972 /nfs/dbraw/zinc/62/09/72/804620972.db2.gz RLUMIMGTKOJIJY-RHSMWYFYSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966328 804620978 /nfs/dbraw/zinc/62/09/78/804620978.db2.gz RLUMIMGTKOJIJY-RHSMWYFYSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]1C[C@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966328 804620980 /nfs/dbraw/zinc/62/09/80/804620980.db2.gz RLUMIMGTKOJIJY-RHSMWYFYSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CN1C1CCC2(CCc3ccccc32)CC1 ZINC001246999734 804634362 /nfs/dbraw/zinc/63/43/62/804634362.db2.gz SZQLYYJZAAEIMG-IGGSBBPBSA-N 1 3 284.447 3.235 20 0 CGADHO Cc1c2[nH]c(C3CC4(C3)CC[NH2+]CC4)nc2ccc1F ZINC001247011681 804640645 /nfs/dbraw/zinc/64/06/45/804640645.db2.gz TVQQVVSULOFJAI-UHFFFAOYSA-N 1 3 273.355 3.258 20 0 CGADHO Fc1c(CC[NH+]2CCCC2)cccc1CN1CCCCC1 ZINC001250167009 805456431 /nfs/dbraw/zinc/45/64/31/805456431.db2.gz ZFKKMYMOCNEFSW-UHFFFAOYSA-N 1 3 290.426 3.450 20 0 CGADHO c1ccc(CN2CCC(C[NH2+]C3CCCCC3)CC2)nc1 ZINC001257452783 807164469 /nfs/dbraw/zinc/16/44/69/807164469.db2.gz OCSRQQWIVXRGNO-UHFFFAOYSA-N 1 3 287.451 3.216 20 0 CGADHO Cc1cccnc1CCC[NH2+]C1CCN(CC(C)C)CC1 ZINC001258001116 807263586 /nfs/dbraw/zinc/26/35/86/807263586.db2.gz CLZAOAHHEKMDCT-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167982147 807290798 /nfs/dbraw/zinc/29/07/98/807290798.db2.gz YEGFGGWRUNWJMS-SJPCQFCGSA-N 1 3 262.441 3.124 20 0 CGADHO FCC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167996007 807294539 /nfs/dbraw/zinc/29/45/39/807294539.db2.gz VBYXFUCCZFMBQJ-SJPCQFCGSA-N 1 3 280.431 3.073 20 0 CGADHO FCC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996007 807294544 /nfs/dbraw/zinc/29/45/44/807294544.db2.gz VBYXFUCCZFMBQJ-SJPCQFCGSA-N 1 3 280.431 3.073 20 0 CGADHO FCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167996007 807294549 /nfs/dbraw/zinc/29/45/49/807294549.db2.gz VBYXFUCCZFMBQJ-SJPCQFCGSA-N 1 3 280.431 3.073 20 0 CGADHO CC[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168001835 807297816 /nfs/dbraw/zinc/29/78/16/807297816.db2.gz IYKCFCFNZOWXQE-KTFSGNIMSA-N 1 3 262.441 3.124 20 0 CGADHO CC[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168001835 807297822 /nfs/dbraw/zinc/29/78/22/807297822.db2.gz IYKCFCFNZOWXQE-KTFSGNIMSA-N 1 3 262.441 3.124 20 0 CGADHO CC1(C)CCCC[C@H]1C[NH+]1CCN(c2ccncc2)CC1 ZINC001168176587 807335546 /nfs/dbraw/zinc/33/55/46/807335546.db2.gz XMIMXMYAFJBAHZ-INIZCTEOSA-N 1 3 287.451 3.420 20 0 CGADHO C[NH+](C)C1CCC(N2CCC[C@@H]2c2nccs2)CC1 ZINC001168327367 807385449 /nfs/dbraw/zinc/38/54/49/807385449.db2.gz KWQRMMNAUQIRPR-JXQTWKCFSA-N 1 3 279.453 3.153 20 0 CGADHO CC1(C)CCC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C1 ZINC001258282366 807394341 /nfs/dbraw/zinc/39/43/41/807394341.db2.gz WFNOGWZSDTWMGR-ULQDDVLXSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C1CC(N)C1 ZINC001258300532 807403632 /nfs/dbraw/zinc/40/36/32/807403632.db2.gz RMZUZCPEEYRCPB-PNESKVBLSA-N 1 3 282.453 3.149 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](C)CN ZINC001258708449 807562787 /nfs/dbraw/zinc/56/27/87/807562787.db2.gz XUWNKHKDXPEWQH-WBVHZDCISA-N 1 3 262.441 3.315 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)CN ZINC001258708449 807562792 /nfs/dbraw/zinc/56/27/92/807562792.db2.gz XUWNKHKDXPEWQH-WBVHZDCISA-N 1 3 262.441 3.315 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169100249 807577034 /nfs/dbraw/zinc/57/70/34/807577034.db2.gz HIXSCWOEUTUUIN-KYHPRHEASA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100249 807577036 /nfs/dbraw/zinc/57/70/36/807577036.db2.gz HIXSCWOEUTUUIN-KYHPRHEASA-N 1 3 270.420 3.197 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1nc(C)ccc1F ZINC001258900354 807670047 /nfs/dbraw/zinc/67/00/47/807670047.db2.gz JTUAWCLBDKVPIJ-ZDUSSCGKSA-N 1 3 281.419 3.129 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001170110327 807760526 /nfs/dbraw/zinc/76/05/26/807760526.db2.gz XELJRNQTIQTFPK-OLZOCXBDSA-N 1 3 252.446 3.416 20 0 CGADHO COc1ccc(C2([NH3+])CCN([C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170119467 807765084 /nfs/dbraw/zinc/76/50/84/807765084.db2.gz BOLDJJAPMJZZHD-GDBMZVCRSA-N 1 3 288.435 3.134 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCO1 ZINC001170179547 807787468 /nfs/dbraw/zinc/78/74/68/807787468.db2.gz WNAHFDIFLOTOCS-DZGCQCFKSA-N 1 3 282.472 3.185 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccccc1Cl ZINC001170250883 807804917 /nfs/dbraw/zinc/80/49/17/807804917.db2.gz VFAYLNKRHDNJFL-CYBMUJFWSA-N 1 3 268.832 3.332 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccccc1Cl ZINC001170250883 807804926 /nfs/dbraw/zinc/80/49/26/807804926.db2.gz VFAYLNKRHDNJFL-CYBMUJFWSA-N 1 3 268.832 3.332 20 0 CGADHO CCCN(CCC[NH3+])[C@H](C)Cc1ccccc1Cl ZINC001170250883 807804935 /nfs/dbraw/zinc/80/49/35/807804935.db2.gz VFAYLNKRHDNJFL-CYBMUJFWSA-N 1 3 268.832 3.332 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171093131 807981690 /nfs/dbraw/zinc/98/16/90/807981690.db2.gz CRWHYFBRENYMKJ-MRXNPFEDSA-N 1 3 280.843 3.257 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171093131 807981694 /nfs/dbraw/zinc/98/16/94/807981694.db2.gz CRWHYFBRENYMKJ-MRXNPFEDSA-N 1 3 280.843 3.257 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149522 807998870 /nfs/dbraw/zinc/99/88/70/807998870.db2.gz XHGHYQBTTRPVHW-JOYOIKCWSA-N 1 3 287.234 3.035 20 0 CGADHO CO[C@H]1CC[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171623145 808106861 /nfs/dbraw/zinc/10/68/61/808106861.db2.gz LXFWZABDIYAHMT-CTYIDZIISA-N 1 3 282.472 3.185 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2CC=CCC2)CC1(C)C ZINC001171627331 808107765 /nfs/dbraw/zinc/10/77/65/808107765.db2.gz PSCSNRFCLWIALF-ZDUSSCGKSA-N 1 3 250.430 3.336 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3cccnc31)C2 ZINC001172107456 808175955 /nfs/dbraw/zinc/17/59/55/808175955.db2.gz XUHFWTGZYGXDDR-YYIAUSFCSA-N 1 3 285.435 3.064 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001172116586 808181592 /nfs/dbraw/zinc/18/15/92/808181592.db2.gz BKYZEOFQLCXMIG-SMLCLMEVSA-N 1 3 262.441 3.124 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001172116586 808181599 /nfs/dbraw/zinc/18/15/99/808181599.db2.gz BKYZEOFQLCXMIG-SMLCLMEVSA-N 1 3 262.441 3.124 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123546 808186930 /nfs/dbraw/zinc/18/69/30/808186930.db2.gz DZOXSXHFRMRVHE-MUJYYYPQSA-N 1 3 288.410 3.199 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123546 808186933 /nfs/dbraw/zinc/18/69/33/808186933.db2.gz DZOXSXHFRMRVHE-MUJYYYPQSA-N 1 3 288.410 3.199 20 0 CGADHO Cc1ccccc1CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123329 808186972 /nfs/dbraw/zinc/18/69/72/808186972.db2.gz ZWIZQLHHTUMFHT-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1ccccc1CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123329 808186975 /nfs/dbraw/zinc/18/69/75/808186975.db2.gz ZWIZQLHHTUMFHT-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001172320701 808230579 /nfs/dbraw/zinc/23/05/79/808230579.db2.gz ZNAGEJJRHSKKBT-ZACQAIPSSA-N 1 3 284.488 3.434 20 0 CGADHO CC[C@@H](CC(C)C)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172404380 808292003 /nfs/dbraw/zinc/29/20/03/808292003.db2.gz WFDJRRZAXDNWCF-INIZCTEOSA-N 1 3 296.499 3.386 20 0 CGADHO CC[C@@H](CC(C)C)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172404380 808292009 /nfs/dbraw/zinc/29/20/09/808292009.db2.gz WFDJRRZAXDNWCF-INIZCTEOSA-N 1 3 296.499 3.386 20 0 CGADHO CCOCC[C@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172408378 808296157 /nfs/dbraw/zinc/29/61/57/808296157.db2.gz IBXLRUYWLGCDMY-RDJZCZTQSA-N 1 3 278.440 3.084 20 0 CGADHO CC(C)OCC[C@@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172435164 808311756 /nfs/dbraw/zinc/31/17/56/808311756.db2.gz YOJVMFSVCWTSDW-AEFFLSMTSA-N 1 3 292.467 3.473 20 0 CGADHO CC[NH+](CC)C1CCC(N2Cc3ccncc3C2)CC1 ZINC001173114369 808513546 /nfs/dbraw/zinc/51/35/46/808513546.db2.gz ICCIMGWTVHZRMG-UHFFFAOYSA-N 1 3 273.424 3.050 20 0 CGADHO CC[C@H]1CC[C@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001173296484 808597166 /nfs/dbraw/zinc/59/71/66/808597166.db2.gz UEKATLANIAXHAA-BBRMVZONSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@H]1CC[C@H](N2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001173296484 808597169 /nfs/dbraw/zinc/59/71/69/808597169.db2.gz UEKATLANIAXHAA-BBRMVZONSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@H]1CC[C@H](N2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296484 808597173 /nfs/dbraw/zinc/59/71/73/808597173.db2.gz UEKATLANIAXHAA-BBRMVZONSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@@H]1CC[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001173296486 808597191 /nfs/dbraw/zinc/59/71/91/808597191.db2.gz UEKATLANIAXHAA-CZUORRHYSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001173296486 808597193 /nfs/dbraw/zinc/59/71/93/808597193.db2.gz UEKATLANIAXHAA-CZUORRHYSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296486 808597197 /nfs/dbraw/zinc/59/71/97/808597197.db2.gz UEKATLANIAXHAA-CZUORRHYSA-N 1 3 250.430 3.124 20 0 CGADHO CCSC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001173299435 808599605 /nfs/dbraw/zinc/59/96/05/808599605.db2.gz RBHANTWRXZIMJI-ZDUSSCGKSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@H]1CCCC2(CCCCC2)C1 ZINC001173338486 808618755 /nfs/dbraw/zinc/61/87/55/808618755.db2.gz AOOSFMMRXMSYAO-CABCVRRESA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCCC2(CCCCC2)C1 ZINC001173338486 808618757 /nfs/dbraw/zinc/61/87/57/808618757.db2.gz AOOSFMMRXMSYAO-CABCVRRESA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553403 808646580 /nfs/dbraw/zinc/64/65/80/808646580.db2.gz YBNAYLNVICCMSC-GHMZBOCLSA-N 1 3 289.250 3.499 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCCN(CCc3cccs3)C2)C1 ZINC001274989716 808896855 /nfs/dbraw/zinc/89/68/55/808896855.db2.gz CXCFSCJCWLHMAT-INIZCTEOSA-N 1 3 278.465 3.098 20 0 CGADHO C[N@H+]1CCC[C@]2(CCCN(CCc3cccs3)C2)C1 ZINC001274989716 808896861 /nfs/dbraw/zinc/89/68/61/808896861.db2.gz CXCFSCJCWLHMAT-INIZCTEOSA-N 1 3 278.465 3.098 20 0 CGADHO Cc1ccc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(F)c1F ZINC001276378266 809005740 /nfs/dbraw/zinc/00/57/40/809005740.db2.gz OTQKVXZXXIPWOJ-OKILXGFUSA-N 1 3 294.389 3.047 20 0 CGADHO Cc1ccc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(F)c1F ZINC001276378266 809005749 /nfs/dbraw/zinc/00/57/49/809005749.db2.gz OTQKVXZXXIPWOJ-OKILXGFUSA-N 1 3 294.389 3.047 20 0 CGADHO Cc1ccc2c(CN3CCC4(CC[N@@H+](C)C4)CC3)c[nH]c2c1 ZINC001276754238 809028687 /nfs/dbraw/zinc/02/86/87/809028687.db2.gz RJWGVBOTEYGARD-UHFFFAOYSA-N 1 3 297.446 3.394 20 0 CGADHO Cc1ccc2c(CN3CCC4(CC[N@H+](C)C4)CC3)c[nH]c2c1 ZINC001276754238 809028694 /nfs/dbraw/zinc/02/86/94/809028694.db2.gz RJWGVBOTEYGARD-UHFFFAOYSA-N 1 3 297.446 3.394 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001276830818 809035887 /nfs/dbraw/zinc/03/58/87/809035887.db2.gz VJCALHOZWSGPNO-LJQANCHMSA-N 1 3 297.446 3.096 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001276830818 809035893 /nfs/dbraw/zinc/03/58/93/809035893.db2.gz VJCALHOZWSGPNO-LJQANCHMSA-N 1 3 297.446 3.096 20 0 CGADHO c1c[nH+]c(Nc2ccccc2CN2CCCCC2)[nH]1 ZINC001176084188 809618698 /nfs/dbraw/zinc/61/86/98/809618698.db2.gz FZMWLYLXGOOBDU-UHFFFAOYSA-N 1 3 256.353 3.139 20 0 CGADHO Cc1cc(C)c(/C=C\C[NH2+]C[C@H](C)CN(C)C)cc1C ZINC001178816597 809889719 /nfs/dbraw/zinc/88/97/19/809889719.db2.gz ANNOSJSPSCFCCX-DANTVBBOSA-N 1 3 274.452 3.412 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001179816054 809949104 /nfs/dbraw/zinc/94/91/04/809949104.db2.gz KLPIROYSEBBIHM-RRQGHBQHSA-N 1 3 292.854 3.387 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906268 809957021 /nfs/dbraw/zinc/95/70/21/809957021.db2.gz WHGSBDPGWINSIR-KXBFYZLASA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CCC3)[C@@H](C)C1 ZINC001179906268 809957025 /nfs/dbraw/zinc/95/70/25/809957025.db2.gz WHGSBDPGWINSIR-KXBFYZLASA-N 1 3 286.463 3.337 20 0 CGADHO CC[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CC1(C)C ZINC001183918973 810169650 /nfs/dbraw/zinc/16/96/50/810169650.db2.gz DPXPMWOWMQRNID-IKGGRYGDSA-N 1 3 289.467 3.489 20 0 CGADHO Cc1cc(C[N@@H+](C)CC(C)(C)CN(C)C)cc(C)c1O ZINC001184198733 810182355 /nfs/dbraw/zinc/18/23/55/810182355.db2.gz ZANWBIPFRLGTHN-UHFFFAOYSA-N 1 3 278.440 3.029 20 0 CGADHO Cc1cc(C[N@H+](C)CC(C)(C)CN(C)C)cc(C)c1O ZINC001184198733 810182358 /nfs/dbraw/zinc/18/23/58/810182358.db2.gz ZANWBIPFRLGTHN-UHFFFAOYSA-N 1 3 278.440 3.029 20 0 CGADHO Cc1noc(C)c1CNC1CCC([NH+]2CCCCC2)CC1 ZINC001200879704 811759185 /nfs/dbraw/zinc/75/91/85/811759185.db2.gz LVDLZEUCSSXEPI-UHFFFAOYSA-N 1 3 291.439 3.178 20 0 CGADHO CCCCN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201714773 811944627 /nfs/dbraw/zinc/94/46/27/811944627.db2.gz AMJXPYBTDOXABT-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO CCCCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201714773 811944631 /nfs/dbraw/zinc/94/46/31/811944631.db2.gz AMJXPYBTDOXABT-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3ccc(C(C)C)cc3)C[C@H]2C1 ZINC001204169214 812563210 /nfs/dbraw/zinc/56/32/10/812563210.db2.gz LAQQSFAGBIKIHE-QZTJIDSGSA-N 1 3 272.436 3.194 20 0 CGADHO C[NH2+]CCCN1CCC(CCCc2ccccc2)CC1 ZINC001204885194 812763448 /nfs/dbraw/zinc/76/34/48/812763448.db2.gz MZCSMNNGMKNMRJ-UHFFFAOYSA-N 1 3 274.452 3.331 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(Cc2ccc3cccccc2-3)C1 ZINC001205016232 812827139 /nfs/dbraw/zinc/82/71/39/812827139.db2.gz HIGICKNMZSAESC-HNNXBMFYSA-N 1 3 268.404 3.223 20 0 CGADHO Cc1cnc(-c2ccccc2)c(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205123972 812876418 /nfs/dbraw/zinc/87/64/18/812876418.db2.gz HZWCBRCAFUGVQU-SFHVURJKSA-N 1 3 295.430 3.370 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCc2ccccc2)C[C@H]1CN ZINC001205295540 812936181 /nfs/dbraw/zinc/93/61/81/812936181.db2.gz ABERXPFSGWVHSB-SJLPKXTDSA-N 1 3 274.452 3.316 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@H]1CN ZINC001205295540 812936185 /nfs/dbraw/zinc/93/61/85/812936185.db2.gz ABERXPFSGWVHSB-SJLPKXTDSA-N 1 3 274.452 3.316 20 0 CGADHO CCCc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC001205303360 812940398 /nfs/dbraw/zinc/94/03/98/812940398.db2.gz CWUKOFBNJIQWED-CHWSQXEVSA-N 1 3 266.454 3.117 20 0 CGADHO C[C@H]1CCN(Cc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205602663 813019509 /nfs/dbraw/zinc/01/95/09/813019509.db2.gz LDYQIQFKFHQVLW-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2csc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205626758 813032338 /nfs/dbraw/zinc/03/23/38/813032338.db2.gz IXPVXXXAIIZGDQ-JQWIXIFHSA-N 1 3 272.845 3.208 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626303 813032683 /nfs/dbraw/zinc/03/26/83/813032683.db2.gz FNWSESLJMPCTPG-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1c(F)ccc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205628883 813034200 /nfs/dbraw/zinc/03/42/00/813034200.db2.gz XLUBLKSWCYZFHO-WCQYABFASA-N 1 3 282.378 3.080 20 0 CGADHO COc1cc(Cl)ccc1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205636115 813035578 /nfs/dbraw/zinc/03/55/78/813035578.db2.gz CGVZLUNDHXHKFZ-CHWSQXEVSA-N 1 3 296.842 3.155 20 0 CGADHO Cc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(F)cc1F ZINC001205639285 813037764 /nfs/dbraw/zinc/03/77/64/813037764.db2.gz YMRSZQRVFHCPEK-DGCLKSJQSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc(C2CC2)cc1 ZINC001205912736 813129593 /nfs/dbraw/zinc/12/95/93/813129593.db2.gz BWMMFIFMWTVPBL-DYVFJYSZSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@@H]1CN(Cc2cc(-c3ccccc3)on2)CCC[C@@H]1C[NH3+] ZINC001205993165 813154752 /nfs/dbraw/zinc/15/47/52/813154752.db2.gz HKZDIPZHBLRTMT-GDBMZVCRSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@H]1C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@H]1N ZINC001206058865 813185771 /nfs/dbraw/zinc/18/57/71/813185771.db2.gz TZFWDYHMXVPRNZ-IUODEOHRSA-N 1 3 285.435 3.244 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)C[C@H]1N ZINC001206058865 813185780 /nfs/dbraw/zinc/18/57/80/813185780.db2.gz TZFWDYHMXVPRNZ-IUODEOHRSA-N 1 3 285.435 3.244 20 0 CGADHO CCCCOc1cccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206163218 813219605 /nfs/dbraw/zinc/21/96/05/813219605.db2.gz ASGKQBZZZGFTAO-IRXDYDNUSA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1cccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206163218 813219609 /nfs/dbraw/zinc/21/96/09/813219609.db2.gz ASGKQBZZZGFTAO-IRXDYDNUSA-N 1 3 294.414 3.127 20 0 CGADHO [NH3+][C@H]1CCN(Cc2cccc3c(F)cccc23)CC[C@H]1F ZINC001206199737 813236859 /nfs/dbraw/zinc/23/68/59/813236859.db2.gz PLZUDUCPKHVVDQ-SJORKVTESA-N 1 3 290.357 3.240 20 0 CGADHO Cc1ccc(C[N@H+]2CCCNC[C@@H]2C)c2ccccc12 ZINC001206257361 813258225 /nfs/dbraw/zinc/25/82/25/813258225.db2.gz BJYSTWVQWDLNNL-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCNC[C@@H]2C)c2ccccc12 ZINC001206257361 813258229 /nfs/dbraw/zinc/25/82/29/813258229.db2.gz BJYSTWVQWDLNNL-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC001206584212 813364020 /nfs/dbraw/zinc/36/40/20/813364020.db2.gz XPRBZUNBESICQW-MRXNPFEDSA-N 1 3 278.415 3.487 20 0 CGADHO NC[C@@H]1CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206606147 813373005 /nfs/dbraw/zinc/37/30/05/813373005.db2.gz FPPZGMGSDUWKHF-HNNXBMFYSA-N 1 3 280.843 3.333 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206606147 813373013 /nfs/dbraw/zinc/37/30/13/813373013.db2.gz FPPZGMGSDUWKHF-HNNXBMFYSA-N 1 3 280.843 3.333 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCCC[C@H](C[NH3+])C1 ZINC001206616517 813376192 /nfs/dbraw/zinc/37/61/92/813376192.db2.gz PTEOZNAYNFIRAU-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1cc(F)cc(C)c1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805228 813441948 /nfs/dbraw/zinc/44/19/48/813441948.db2.gz AZQFQCWSGANNHD-KGLIPLIRSA-N 1 3 264.388 3.002 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612655 813773079 /nfs/dbraw/zinc/77/30/79/813773079.db2.gz MYYNSJZJPMKPRG-ZBFHGGJFSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001208612655 813773082 /nfs/dbraw/zinc/77/30/82/813773082.db2.gz MYYNSJZJPMKPRG-ZBFHGGJFSA-N 1 3 292.854 3.471 20 0 CGADHO FC1CC[NH+](C2CCN(CCC3CCCC3)CC2)CC1 ZINC001208693809 813799043 /nfs/dbraw/zinc/79/90/43/813799043.db2.gz CGAFKTGFAXAHHH-UHFFFAOYSA-N 1 3 282.447 3.465 20 0 CGADHO CCN([C@H]1CCOC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001208694601 813799948 /nfs/dbraw/zinc/79/99/48/813799948.db2.gz UJILMTNCNHGCAH-SFHVURJKSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209421290 814022284 /nfs/dbraw/zinc/02/22/84/814022284.db2.gz ORZLHNKMCVRIRW-NVXWUHKLSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209421290 814022290 /nfs/dbraw/zinc/02/22/90/814022290.db2.gz ORZLHNKMCVRIRW-NVXWUHKLSA-N 1 3 272.436 3.239 20 0 CGADHO O=C1CCC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209453165 814047165 /nfs/dbraw/zinc/04/71/65/814047165.db2.gz ZKOUAEPXHMSPIT-UHFFFAOYSA-N 1 3 292.467 3.088 20 0 CGADHO c1cc(CN2CCCC3(CCCC[NH2+]C3)CCC2)sn1 ZINC001222120179 816353435 /nfs/dbraw/zinc/35/34/35/816353435.db2.gz TZCLBKFCVGOYFK-UHFFFAOYSA-N 1 3 293.480 3.279 20 0 CGADHO c1cc2cccc(CN3CC[C@]4(C3)CCC[NH2+]C4)c2o1 ZINC001222153868 816361559 /nfs/dbraw/zinc/36/15/59/816361559.db2.gz BSWZJPMOYDHIBU-QGZVFWFLSA-N 1 3 270.376 3.008 20 0 CGADHO CC1(C[N@@H+]2CC[C@]3(C2)CCCCN3)CCCCC1 ZINC001222420416 816440181 /nfs/dbraw/zinc/44/01/81/816440181.db2.gz CSMMBNGNUFSOIC-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO CC1(C[N@H+]2CC[C@]3(C2)CCCCN3)CCCCC1 ZINC001222420416 816440189 /nfs/dbraw/zinc/44/01/89/816440189.db2.gz CSMMBNGNUFSOIC-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO Cc1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]CC[C@H]43)cc2)o1 ZINC001222620380 816478856 /nfs/dbraw/zinc/47/88/56/816478856.db2.gz PMXPWLKWHCXCPA-ZWKOTPCHSA-N 1 3 296.414 3.439 20 0 CGADHO COc1ccc2cc(CN3CC[C@H]4C[NH2+]CC[C@H]43)ccc2c1 ZINC001222620346 816479581 /nfs/dbraw/zinc/47/95/81/816479581.db2.gz NYGKXMOHHMIUQM-PKOBYXMFSA-N 1 3 296.414 3.032 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235029986 818981875 /nfs/dbraw/zinc/98/18/75/818981875.db2.gz DEYKKOQVPJXCAQ-HYVNUMGLSA-N 1 3 290.838 3.129 20 0 CGADHO Cc1c(F)ccc(CN2CCC3(CC[NH2+]CC3)CC2)c1F ZINC001235132062 819013522 /nfs/dbraw/zinc/01/35/22/819013522.db2.gz DAKLAZCUKKIBFZ-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO CCn1ccc2ccc(C[N@@H+]3CCCC34CCNCC4)cc21 ZINC001235139748 819015060 /nfs/dbraw/zinc/01/50/60/819015060.db2.gz CWZGLKWNTPFVDM-UHFFFAOYSA-N 1 3 297.446 3.379 20 0 CGADHO CCn1ccc2ccc(C[N@H+]3CCCC34CCNCC4)cc21 ZINC001235139748 819015062 /nfs/dbraw/zinc/01/50/62/819015062.db2.gz CWZGLKWNTPFVDM-UHFFFAOYSA-N 1 3 297.446 3.379 20 0 CGADHO CCn1ccc2ccc(CN3CCCC34CC[NH2+]CC4)cc21 ZINC001235139748 819015067 /nfs/dbraw/zinc/01/50/67/819015067.db2.gz CWZGLKWNTPFVDM-UHFFFAOYSA-N 1 3 297.446 3.379 20 0 CGADHO Clc1ccc(CC[N@@H+]2CCCCC23CCNCC3)cc1 ZINC001235190443 819030002 /nfs/dbraw/zinc/03/00/02/819030002.db2.gz IGBRVLOJSDMHPA-UHFFFAOYSA-N 1 3 292.854 3.491 20 0 CGADHO Clc1ccc(CC[N@H+]2CCCCC23CCNCC3)cc1 ZINC001235190443 819030005 /nfs/dbraw/zinc/03/00/05/819030005.db2.gz IGBRVLOJSDMHPA-UHFFFAOYSA-N 1 3 292.854 3.491 20 0 CGADHO Cc1ccccc1-c1ccccc1CN1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235209991 819036668 /nfs/dbraw/zinc/03/66/68/819036668.db2.gz HMSWQJJQUWXWEI-BWTSREIZSA-N 1 3 278.399 3.051 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235253209 819050080 /nfs/dbraw/zinc/05/00/80/819050080.db2.gz CLFCROJYXAJSJG-JHNDHUHGSA-N 1 3 290.838 3.127 20 0 CGADHO NC[C@@H]1CCC[N@H+](CCCCCc2ccccc2)C1 ZINC001235673245 819133620 /nfs/dbraw/zinc/13/36/20/819133620.db2.gz NBICXFRLEGWUSH-KRWDZBQOSA-N 1 3 260.425 3.070 20 0 CGADHO NC[C@@H]1CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001235673245 819133623 /nfs/dbraw/zinc/13/36/23/819133623.db2.gz NBICXFRLEGWUSH-KRWDZBQOSA-N 1 3 260.425 3.070 20 0 CGADHO COCC[C@H]1CCCCN1CCC[NH2+]C1CCCCC1 ZINC001235687978 819141277 /nfs/dbraw/zinc/14/12/77/819141277.db2.gz LFBXDUNKHHCTQM-QGZVFWFLSA-N 1 3 282.472 3.190 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1cccc(Cl)c1F ZINC001235716709 819149837 /nfs/dbraw/zinc/14/98/37/819149837.db2.gz HIXRKSJQKKTMCN-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1ccc(-c2ccc(CN3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC001235748867 819160347 /nfs/dbraw/zinc/16/03/47/819160347.db2.gz DTJATHNUINSSTL-KRWDZBQOSA-N 1 3 280.415 3.443 20 0 CGADHO CC[C@@H](N)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918723 819221058 /nfs/dbraw/zinc/22/10/58/819221058.db2.gz JPTSVKLZTXRSCC-TZMCWYRMSA-N 1 3 286.341 3.232 20 0 CGADHO CC[C@@H](N)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918723 819221065 /nfs/dbraw/zinc/22/10/65/819221065.db2.gz JPTSVKLZTXRSCC-TZMCWYRMSA-N 1 3 286.341 3.232 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@H]1CCN ZINC001235925601 819224699 /nfs/dbraw/zinc/22/46/99/819224699.db2.gz WVHBOWCTIMVLON-CVEARBPZSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H]1CCN ZINC001235925601 819224704 /nfs/dbraw/zinc/22/47/04/819224704.db2.gz WVHBOWCTIMVLON-CVEARBPZSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@H]1CCN ZINC001235925602 819225343 /nfs/dbraw/zinc/22/53/43/819225343.db2.gz WVHBOWCTIMVLON-HOTGVXAUSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H]1CCN ZINC001235925602 819225349 /nfs/dbraw/zinc/22/53/49/819225349.db2.gz WVHBOWCTIMVLON-HOTGVXAUSA-N 1 3 284.488 3.421 20 0 CGADHO c1ccc(-c2cccc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235938875 819233219 /nfs/dbraw/zinc/23/32/19/819233219.db2.gz MECHKJLAKXMLLQ-UXHICEINSA-N 1 3 292.426 3.395 20 0 CGADHO c1csc(-c2ccccc2CN2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235939306 819233861 /nfs/dbraw/zinc/23/38/61/819233861.db2.gz OXCNSUFEGDBTCF-HOCLYGCPSA-N 1 3 298.455 3.456 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985852 819260437 /nfs/dbraw/zinc/26/04/37/819260437.db2.gz DFZZOMZTEYTJLW-IEBWSBKVSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985852 819260441 /nfs/dbraw/zinc/26/04/41/819260441.db2.gz DFZZOMZTEYTJLW-IEBWSBKVSA-N 1 3 296.389 3.416 20 0 CGADHO C[NH2+]C[C@H]1CCN(Cc2ccc(C)c3ccccc23)C1 ZINC001236068284 819298514 /nfs/dbraw/zinc/29/85/14/819298514.db2.gz XOLUXFNFDLWPHJ-OAHLLOKOSA-N 1 3 268.404 3.190 20 0 CGADHO CN(CC[C@@H]1CCCC[NH2+]1)C(C)(C)Cc1ccccc1 ZINC001236155375 819348677 /nfs/dbraw/zinc/34/86/77/819348677.db2.gz KKZYYCVXRYUFLM-KRWDZBQOSA-N 1 3 274.452 3.472 20 0 CGADHO C[C@@H]1CN(CCC[NH2+]C2CCCCC2)C2(CC2)C1 ZINC001236154238 819348767 /nfs/dbraw/zinc/34/87/67/819348767.db2.gz NRZYVQKGJIJTEJ-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@H]1N ZINC001236211816 819375015 /nfs/dbraw/zinc/37/50/15/819375015.db2.gz JJUYABBKCTZWLU-GDBMZVCRSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@H]1N ZINC001236211816 819375022 /nfs/dbraw/zinc/37/50/22/819375022.db2.gz JJUYABBKCTZWLU-GDBMZVCRSA-N 1 3 275.371 3.009 20 0 CGADHO CCN(Cc1cccc(F)c1F)CC1(C)CC[NH2+]CC1 ZINC001236239173 819398692 /nfs/dbraw/zinc/39/86/92/819398692.db2.gz BDKPQEFUYSLFKN-UHFFFAOYSA-N 1 3 282.378 3.176 20 0 CGADHO CCN(Cc1cccc(C(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236412659 819459086 /nfs/dbraw/zinc/45/90/86/819459086.db2.gz XDQPQMRZYVJFPQ-MRXNPFEDSA-N 1 3 260.425 3.241 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H](N)[C@@H]2C)c2ccccc12 ZINC001236420823 819466924 /nfs/dbraw/zinc/46/69/24/819466924.db2.gz OLOUDXJNLGMPJV-KBXCAEBGSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H](N)[C@@H]2C)c2ccccc12 ZINC001236420823 819466930 /nfs/dbraw/zinc/46/69/30/819466930.db2.gz OLOUDXJNLGMPJV-KBXCAEBGSA-N 1 3 268.404 3.460 20 0 CGADHO NC[C@]1(F)CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435799 819478631 /nfs/dbraw/zinc/47/86/31/819478631.db2.gz VZRIWHTZISJWGV-GOSISDBHSA-N 1 3 284.378 3.226 20 0 CGADHO NC[C@]1(F)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435799 819478634 /nfs/dbraw/zinc/47/86/34/819478634.db2.gz VZRIWHTZISJWGV-GOSISDBHSA-N 1 3 284.378 3.226 20 0 CGADHO Cc1ccc(F)cc1CN(CC1CC1)C1CC[NH2+]CC1 ZINC001236509111 819507685 /nfs/dbraw/zinc/50/76/85/819507685.db2.gz GGSJPRWRXMJLKJ-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](CC1CC1)C1CCNCC1 ZINC001236509111 819507691 /nfs/dbraw/zinc/50/76/91/819507691.db2.gz GGSJPRWRXMJLKJ-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](CC1CC1)C1CCNCC1 ZINC001236509111 819507696 /nfs/dbraw/zinc/50/76/96/819507696.db2.gz GGSJPRWRXMJLKJ-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Fc1ccc(CCCN(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236584853 819545678 /nfs/dbraw/zinc/54/56/78/819545678.db2.gz WKXJKNFPFXCRGO-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1ccc(CCC[N@H+](C[C@@H]2CCCNC2)C2CC2)cc1 ZINC001236584853 819545684 /nfs/dbraw/zinc/54/56/84/819545684.db2.gz WKXJKNFPFXCRGO-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1ccc(CCC[N@@H+](C[C@@H]2CCCNC2)C2CC2)cc1 ZINC001236584853 819545689 /nfs/dbraw/zinc/54/56/89/819545689.db2.gz WKXJKNFPFXCRGO-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO CCCN(Cc1cc(C)sc1C)C[C@H]1CC[NH2+]C1 ZINC001236835633 819614995 /nfs/dbraw/zinc/61/49/95/819614995.db2.gz OFOIUPVNLGBHKR-AWEZNQCLSA-N 1 3 266.454 3.186 20 0 CGADHO CCCN(Cc1cc(C)c(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236842956 819618871 /nfs/dbraw/zinc/61/88/71/819618871.db2.gz IIUCHUJQDQLAIW-KRWDZBQOSA-N 1 3 274.452 3.433 20 0 CGADHO CC[C@H](N)C[N@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC001236859147 819625119 /nfs/dbraw/zinc/62/51/19/819625119.db2.gz IFIVZEMCHARZHI-AWEZNQCLSA-N 1 3 288.357 3.307 20 0 CGADHO CC[C@H](N)C[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC001236859147 819625120 /nfs/dbraw/zinc/62/51/20/819625120.db2.gz IFIVZEMCHARZHI-AWEZNQCLSA-N 1 3 288.357 3.307 20 0 CGADHO CCC[NH+]1C[C@@H]2CN(Cc3c(C)cccc3CC)C[C@H]2C1 ZINC001237331565 819730360 /nfs/dbraw/zinc/73/03/60/819730360.db2.gz ZVDCZNZRFPCXLP-QZTJIDSGSA-N 1 3 286.463 3.331 20 0 CGADHO Cc1cc(F)cc(Cl)c1CN1CCC2(CC[C@H]2[NH3+])CC1 ZINC001237359543 819735644 /nfs/dbraw/zinc/73/56/44/819735644.db2.gz PEWIGWBGUIHJJI-OAHLLOKOSA-N 1 3 296.817 3.491 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414958 819746200 /nfs/dbraw/zinc/74/62/00/819746200.db2.gz NQFYOJCTRKZWGD-AEFFLSMTSA-N 1 3 272.436 3.131 20 0 CGADHO c1cc2c(c(-c3ccc(C[NH+]4CCCC4)cc3)n1)CCN2 ZINC001240045170 820800816 /nfs/dbraw/zinc/80/08/16/820800816.db2.gz OWHRCIFTHRBTSP-UHFFFAOYSA-N 1 3 279.387 3.312 20 0 CGADHO CC[N@@H+]1CCCC[C@H]1c1ccc(C2=CCN(C)CC2)nc1 ZINC001241317434 821728521 /nfs/dbraw/zinc/72/85/21/821728521.db2.gz OTYYQWXXCZVRNY-SFHVURJKSA-N 1 3 285.435 3.347 20 0 CGADHO CC[N@H+]1CCCC[C@H]1c1ccc(C2=CCN(C)CC2)nc1 ZINC001241317434 821728526 /nfs/dbraw/zinc/72/85/26/821728526.db2.gz OTYYQWXXCZVRNY-SFHVURJKSA-N 1 3 285.435 3.347 20 0 CGADHO NCc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)ccn1 ZINC001241389699 821787967 /nfs/dbraw/zinc/78/79/67/821787967.db2.gz WZLVVVXFYIAYRV-UHFFFAOYSA-N 1 3 281.403 3.193 20 0 CGADHO Cc1cc(-c2ccccc2CN2CCC([NH3+])CC2)ccc1O ZINC001242122809 822886057 /nfs/dbraw/zinc/88/60/57/822886057.db2.gz ZQTJZZKMJJMCHP-UHFFFAOYSA-N 1 3 296.414 3.291 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC001335441745 936145837 /nfs/dbraw/zinc/14/58/37/936145837.db2.gz RUTOVSPOOPEGEQ-GFCCVEGCSA-N 1 3 295.496 3.433 20 0 CGADHO CC[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC001339458744 936373563 /nfs/dbraw/zinc/37/35/63/936373563.db2.gz NALULPDSHZGPFL-QGZVFWFLSA-N 1 3 281.403 3.182 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NCCN(C)C1CCCCC1 ZINC001346588567 936853339 /nfs/dbraw/zinc/85/33/39/936853339.db2.gz IIGFESROZTYTMT-UHFFFAOYSA-N 1 3 288.439 3.196 20 0 CGADHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000037771961 928691707 /nfs/dbraw/zinc/69/17/07/928691707.db2.gz YUFKSVAMRIHESE-VXGBXAGGSA-N 1 3 282.378 3.346 20 0 CGADHO C[Si](C)(C)C[N@@H+]1CCC[C@H](CN2CCCCCC2)C1 ZINC001459438372 937487968 /nfs/dbraw/zinc/48/79/68/937487968.db2.gz OHLZCRVWHSTSEN-MRXNPFEDSA-N 1 3 282.548 3.452 20 0 CGADHO C[Si](C)(C)C[N@H+]1CCC[C@H](CN2CCCCCC2)C1 ZINC001459438372 937487970 /nfs/dbraw/zinc/48/79/70/937487970.db2.gz OHLZCRVWHSTSEN-MRXNPFEDSA-N 1 3 282.548 3.452 20 0 CGADHO CCC[C@@H](C)CCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001460531224 937534887 /nfs/dbraw/zinc/53/48/87/937534887.db2.gz DMHAJPBSEFSDIC-SJORKVTESA-N 1 3 284.488 3.245 20 0 CGADHO C[C@H](c1ccccc1)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001460563640 937535551 /nfs/dbraw/zinc/53/55/51/937535551.db2.gz XZAIKEXSDUDOCK-DJIMGWMZSA-N 1 3 258.409 3.021 20 0 CGADHO C[C@@H]1CN([C@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713315 937541960 /nfs/dbraw/zinc/54/19/60/937541960.db2.gz ZCXBGNPZARWBRI-SJORKVTESA-N 1 3 285.435 3.481 20 0 CGADHO C[C@H]1CN([C@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713314 937541995 /nfs/dbraw/zinc/54/19/95/937541995.db2.gz ZCXBGNPZARWBRI-IRXDYDNUSA-N 1 3 285.435 3.481 20 0 CGADHO NC[C@@H]1CCCC[N@H+](CCCCc2ccccc2)C1 ZINC000382517916 932739219 /nfs/dbraw/zinc/73/92/19/932739219.db2.gz VEJMJYUKNALBPV-KRWDZBQOSA-N 1 3 260.425 3.070 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](CCCCc2ccccc2)C1 ZINC000382517916 932739222 /nfs/dbraw/zinc/73/92/22/932739222.db2.gz VEJMJYUKNALBPV-KRWDZBQOSA-N 1 3 260.425 3.070 20 0 CGADHO CN(C)CC[C@@H]([NH2+]Cc1cccc2c1OCC2)C(C)(C)C ZINC001308264710 933084530 /nfs/dbraw/zinc/08/45/30/933084530.db2.gz UCNYWPBLEKTGBI-MRXNPFEDSA-N 1 3 290.451 3.078 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC001322634791 934324001 /nfs/dbraw/zinc/32/40/01/934324001.db2.gz ZAEJQECDKCSPJV-WBVHZDCISA-N 1 3 288.435 3.222 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@@H](C)c1cccc2ccccc21 ZINC001326034829 934944695 /nfs/dbraw/zinc/94/46/95/934944695.db2.gz AJSWYKQVNDLFFI-KBPBESRZSA-N 1 3 256.393 3.488 20 0 CGADHO CSCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC001335534486 936151481 /nfs/dbraw/zinc/15/14/81/936151481.db2.gz WYBSXCPZCMYXNH-WMLDXEAASA-N 1 3 292.492 3.322 20 0 CGADHO CSCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC001335534486 936151484 /nfs/dbraw/zinc/15/14/84/936151484.db2.gz WYBSXCPZCMYXNH-WMLDXEAASA-N 1 3 292.492 3.322 20 0 CGADHO CC1(C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC001549711030 938158891 /nfs/dbraw/zinc/15/88/91/938158891.db2.gz DCODPYQSORMPEL-BFZKSOEOSA-N 1 3 270.420 3.051 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238473 938178364 /nfs/dbraw/zinc/17/83/64/938178364.db2.gz WAPGAOSKMCVXQO-UMQBVGHOSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1c(Cl)cccc1CNC[C@H]1C[NH+]2CCC1CC2 ZINC001561034496 938290451 /nfs/dbraw/zinc/29/04/51/938290451.db2.gz SFOZYRPTWRPWNG-HNNXBMFYSA-N 1 3 278.827 3.080 20 0 CGADHO CCc1ccccc1C[N@H+](C)CC(C)(C)CN(C)C ZINC001561039049 938291009 /nfs/dbraw/zinc/29/10/09/938291009.db2.gz HJVKKUFVJLBUDU-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO CCc1ccccc1C[N@@H+](C)CC(C)(C)CN(C)C ZINC001561039049 938291010 /nfs/dbraw/zinc/29/10/10/938291010.db2.gz HJVKKUFVJLBUDU-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO CC(C)[C@H]1[N@H+](C[C@]2(C)CCCNC2)CC12CCCC2 ZINC001575521898 962388030 /nfs/dbraw/zinc/38/80/30/962388030.db2.gz VSNHBRIDVMVNQO-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@H]1[N@@H+](C[C@]2(C)CCCNC2)CC12CCCC2 ZINC001575521898 962388060 /nfs/dbraw/zinc/38/80/60/962388060.db2.gz VSNHBRIDVMVNQO-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001576065711 962425511 /nfs/dbraw/zinc/42/55/11/962425511.db2.gz HIHYMQDSSYZVAA-LYRGGWFBSA-N 1 3 272.392 3.079 20 0 CGADHO CC1(C)CCC[C@@H](C[N@@H+]2CCCC[C@H]2CCN)C1 ZINC001576427281 962455994 /nfs/dbraw/zinc/45/59/94/962455994.db2.gz VMDKMCHHZMRSBD-CABCVRRESA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@H]2CCN)C1 ZINC001576427281 962456005 /nfs/dbraw/zinc/45/60/05/962456005.db2.gz VMDKMCHHZMRSBD-CABCVRRESA-N 1 3 252.446 3.406 20 0 CGADHO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556841 962464817 /nfs/dbraw/zinc/46/48/17/962464817.db2.gz UFABNNOGJDHFMS-TWMKSMIVSA-N 1 3 262.441 3.040 20 0 CGADHO CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556841 962464821 /nfs/dbraw/zinc/46/48/21/962464821.db2.gz UFABNNOGJDHFMS-TWMKSMIVSA-N 1 3 262.441 3.040 20 0 CGADHO C/C=C\C[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC001576915606 962499097 /nfs/dbraw/zinc/49/90/97/962499097.db2.gz XOHVVBFGMGHKIV-JNXQLMTMSA-N 1 3 250.430 3.054 20 0 CGADHO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC001576915606 962499113 /nfs/dbraw/zinc/49/91/13/962499113.db2.gz XOHVVBFGMGHKIV-JNXQLMTMSA-N 1 3 250.430 3.054 20 0 CGADHO CCC[C@H](CC)[NH2+]Cc1cc2c(s1)CCNC2 ZINC001577352644 962526970 /nfs/dbraw/zinc/52/69/70/962526970.db2.gz DECRFHNYBCBXGO-LBPRGKRZSA-N 1 3 252.427 3.062 20 0 CGADHO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC001577375381 962533797 /nfs/dbraw/zinc/53/37/97/962533797.db2.gz YFIHPLDSIVSMGP-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC001577375381 962533809 /nfs/dbraw/zinc/53/38/09/962533809.db2.gz YFIHPLDSIVSMGP-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO C[NH2+]C[C@H]1CCN(C[C@H](C)CSc2ccccc2C)C1 ZINC001578664453 962595689 /nfs/dbraw/zinc/59/56/89/962595689.db2.gz YOYQOIOMCZQRCW-GOEBONIOSA-N 1 3 292.492 3.265 20 0 CGADHO COc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001579198819 962612582 /nfs/dbraw/zinc/61/25/82/962612582.db2.gz CVVFOVXMCPVBEP-KDOFPFPSSA-N 1 3 288.435 3.126 20 0 CGADHO Cc1ccc([C@H](C)C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)cc1 ZINC001579665606 962646317 /nfs/dbraw/zinc/64/63/17/962646317.db2.gz CZHKXWINYSNURK-DFGXFYAUSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1ccc([C@H](C)C[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)cc1 ZINC001579665606 962646325 /nfs/dbraw/zinc/64/63/25/962646325.db2.gz CZHKXWINYSNURK-DFGXFYAUSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1ccc2sc(CN3CCC[C@@H](CC[NH3+])C3)nc2c1 ZINC001579743582 962663231 /nfs/dbraw/zinc/66/32/31/962663231.db2.gz ZBXKFFSGKJOXHG-ZDUSSCGKSA-N 1 3 289.448 3.166 20 0 CGADHO Cc1cccc(C)c1C[N@H+](C)C[C@H](N)CC(F)(F)F ZINC001579754865 962672069 /nfs/dbraw/zinc/67/20/69/962672069.db2.gz LRYILHMPARZFOQ-GFCCVEGCSA-N 1 3 274.330 3.015 20 0 CGADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H](N)CC(F)(F)F ZINC001579754865 962672077 /nfs/dbraw/zinc/67/20/77/962672077.db2.gz LRYILHMPARZFOQ-GFCCVEGCSA-N 1 3 274.330 3.015 20 0 CGADHO N[C@@H](CC[NH2+]C1CC2(C1)CCCC2)Cc1ccccc1 ZINC001580126925 962700713 /nfs/dbraw/zinc/70/07/13/962700713.db2.gz GQXHTGWTAPEQTH-INIZCTEOSA-N 1 3 272.436 3.259 20 0 CGADHO CCCc1ccc(CNC[C@H]2CCC[N@H+](C)C2)s1 ZINC000621335482 349499282 /nfs/dbraw/zinc/49/92/82/349499282.db2.gz NVQKOUOGVMXNAK-CYBMUJFWSA-N 1 3 266.454 3.132 20 0 CGADHO CCCc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000621335482 349499285 /nfs/dbraw/zinc/49/92/85/349499285.db2.gz NVQKOUOGVMXNAK-CYBMUJFWSA-N 1 3 266.454 3.132 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@]2(C)CC)C1 ZINC000651685974 398269054 /nfs/dbraw/zinc/26/90/54/398269054.db2.gz LFTHRPVHXGENLU-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000651686257 398269107 /nfs/dbraw/zinc/26/91/07/398269107.db2.gz VYMITGKQJZLFKE-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000337989299 214345677 /nfs/dbraw/zinc/34/56/77/214345677.db2.gz PWAWZZVFVGBJBH-CAOSSQGBSA-N 1 3 270.436 3.367 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)[C@@H]1CCOC1)C1CCCCC1 ZINC000651910495 398304983 /nfs/dbraw/zinc/30/49/83/398304983.db2.gz VXUHXWMGFLZULI-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)[C@@H]1CCOC1)C1CCCCC1 ZINC000651910495 398304986 /nfs/dbraw/zinc/30/49/86/398304986.db2.gz VXUHXWMGFLZULI-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423471561 529453261 /nfs/dbraw/zinc/45/32/61/529453261.db2.gz PRQMYEBOVOJXAA-SQWLQELKSA-N 1 3 294.414 3.187 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456931 529453693 /nfs/dbraw/zinc/45/36/93/529453693.db2.gz DYKRZSNYMOWODQ-DYVFJYSZSA-N 1 3 269.392 3.137 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000125718130 187197575 /nfs/dbraw/zinc/19/75/75/187197575.db2.gz AOMKSEAUDMVMCK-QAETUUGQSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125718130 187197576 /nfs/dbraw/zinc/19/75/76/187197576.db2.gz AOMKSEAUDMVMCK-QAETUUGQSA-N 1 3 290.451 3.081 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](O)C(C)C ZINC000414305276 529682215 /nfs/dbraw/zinc/68/22/15/529682215.db2.gz WYGDYBPDTHRWNP-QZTJIDSGSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(C)C ZINC000414305276 529682218 /nfs/dbraw/zinc/68/22/18/529682218.db2.gz WYGDYBPDTHRWNP-QZTJIDSGSA-N 1 3 296.499 3.169 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)s1 ZINC000424375333 529707761 /nfs/dbraw/zinc/70/77/61/529707761.db2.gz MUZWAJSJGFJKBC-RAIGVLPGSA-N 1 3 252.427 3.231 20 0 CGADHO Cc1ccoc1C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000350317554 136378452 /nfs/dbraw/zinc/37/84/52/136378452.db2.gz LYNOKVSNCGRURA-UHFFFAOYSA-N 1 3 299.418 3.331 20 0 CGADHO Cc1ccoc1C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000350317554 136378453 /nfs/dbraw/zinc/37/84/53/136378453.db2.gz LYNOKVSNCGRURA-UHFFFAOYSA-N 1 3 299.418 3.331 20 0 CGADHO CCc1ccc([C@H](CC)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423408113 529722976 /nfs/dbraw/zinc/72/29/76/529722976.db2.gz WZKRSJHFYOBXHX-JQFCIGGWSA-N 1 3 260.425 3.288 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423408113 529722977 /nfs/dbraw/zinc/72/29/77/529722977.db2.gz WZKRSJHFYOBXHX-JQFCIGGWSA-N 1 3 260.425 3.288 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C[C@H]1C ZINC000623657212 349858646 /nfs/dbraw/zinc/85/86/46/349858646.db2.gz LGZICMFVYKNUHJ-WCVJEAGWSA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000623657573 349859216 /nfs/dbraw/zinc/85/92/16/349859216.db2.gz UTXJHLBEBZNKSS-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO CCCOc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623655941 349856838 /nfs/dbraw/zinc/85/68/38/349856838.db2.gz JGSAMPTVEPXVOY-KRWDZBQOSA-N 1 3 290.451 3.297 20 0 CGADHO CSc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623655239 349857005 /nfs/dbraw/zinc/85/70/05/349857005.db2.gz SDYMBQGGIWDFLN-OAHLLOKOSA-N 1 3 278.465 3.230 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000623655938 349857254 /nfs/dbraw/zinc/85/72/54/349857254.db2.gz JCNXWXFSLIPPBF-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623656375 349857637 /nfs/dbraw/zinc/85/76/37/349857637.db2.gz SULFYWDSFNNCDM-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO COCCC1(C[NH2+]C[C@@H]2CCCCN(C)C2)CCCCC1 ZINC000623657069 349858128 /nfs/dbraw/zinc/85/81/28/349858128.db2.gz JCNNNFCHJJUGKB-KRWDZBQOSA-N 1 3 296.499 3.295 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H](C)[C@H]1CCCCO1 ZINC000623886126 349906029 /nfs/dbraw/zinc/90/60/29/349906029.db2.gz SWCRTOVRRPRSFM-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1cc2ccccc2s1 ZINC000423268758 529985649 /nfs/dbraw/zinc/98/56/49/529985649.db2.gz GJSJCBIZOLSSDO-NEPJUHHUSA-N 1 3 262.422 3.407 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255482 529999718 /nfs/dbraw/zinc/99/97/18/529999718.db2.gz AFOGPAYHFRVPCB-WHOHXGKFSA-N 1 3 286.872 3.339 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255482 529999720 /nfs/dbraw/zinc/99/97/20/529999720.db2.gz AFOGPAYHFRVPCB-WHOHXGKFSA-N 1 3 286.872 3.339 20 0 CGADHO CC[NH+]1CCC(CNCc2ccc(F)cc2Cl)CC1 ZINC000044518714 345012294 /nfs/dbraw/zinc/01/22/94/345012294.db2.gz OILGCKOQKVXOMH-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535132 345013393 /nfs/dbraw/zinc/01/33/93/345013393.db2.gz WBBQXKHWMPIVLN-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535132 345013396 /nfs/dbraw/zinc/01/33/96/345013396.db2.gz WBBQXKHWMPIVLN-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO CCCOc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148583 345388494 /nfs/dbraw/zinc/38/84/94/345388494.db2.gz KMIKQJIMYBUPAE-MRXNPFEDSA-N 1 3 276.424 3.179 20 0 CGADHO Cc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000075206856 345497299 /nfs/dbraw/zinc/49/72/99/345497299.db2.gz ZTSUHLNOGVULDS-ALOPSCKCSA-N 1 3 258.409 3.018 20 0 CGADHO CC1CCC([NH2+]Cc2ccc(CN(C)C)cc2)CC1 ZINC000078422671 345607685 /nfs/dbraw/zinc/60/76/85/345607685.db2.gz JVYXUVWUBMNPGM-UHFFFAOYSA-N 1 3 260.425 3.417 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000085099166 345744390 /nfs/dbraw/zinc/74/43/90/345744390.db2.gz YARNCZLORWOIST-WCVJEAGWSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000089214582 345767041 /nfs/dbraw/zinc/76/70/41/345767041.db2.gz QIBCBQRBXJJPMQ-GOSISDBHSA-N 1 3 287.451 3.322 20 0 CGADHO COCCC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000090536766 345790083 /nfs/dbraw/zinc/79/00/83/345790083.db2.gz PFMBCODDFKDVLS-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO Cc1ccc([C@@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000227569203 346309893 /nfs/dbraw/zinc/30/98/93/346309893.db2.gz LHJZJNKVBXBWEA-BNOWGMLFSA-N 1 3 250.361 3.055 20 0 CGADHO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1CCN(C)CC1 ZINC000624104478 349970544 /nfs/dbraw/zinc/97/05/44/349970544.db2.gz UUCGFTBJMSXJAK-KBXCAEBGSA-N 1 3 287.451 3.243 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)c(F)c1 ZINC000624119608 349975218 /nfs/dbraw/zinc/97/52/18/349975218.db2.gz FWMFLGRGRGZTIK-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO CCSC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000596652346 347498431 /nfs/dbraw/zinc/49/84/31/347498431.db2.gz PTKCPPUAKHNKBE-UONOGXRCSA-N 1 3 270.486 3.173 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000624120658 349977414 /nfs/dbraw/zinc/97/74/14/349977414.db2.gz DOVZTHIXBMTIQD-HYVNUMGLSA-N 1 3 264.457 3.277 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C12CCCC2 ZINC000624122257 349979841 /nfs/dbraw/zinc/97/98/41/349979841.db2.gz NFLOSRGQJSEXNH-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]1CN(CCCC[NH2+][C@@H]2CCCC2(C)C)C[C@H](C)O1 ZINC000095967501 290844024 /nfs/dbraw/zinc/84/40/24/290844024.db2.gz XALMIQUSRCSBKI-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H]1C[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624301044 350020369 /nfs/dbraw/zinc/02/03/69/350020369.db2.gz YQCVEWPSOHBNDT-WKILWMFISA-N 1 3 296.499 3.433 20 0 CGADHO CO[C@H]1C[C@H]([NH2+]C2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000624301044 350020372 /nfs/dbraw/zinc/02/03/72/350020372.db2.gz YQCVEWPSOHBNDT-WKILWMFISA-N 1 3 296.499 3.433 20 0 CGADHO CCC[C@H](C)CCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000625264997 350149328 /nfs/dbraw/zinc/14/93/28/350149328.db2.gz PBVCTEXHHFWJLG-WNRNVDISSA-N 1 3 296.499 3.386 20 0 CGADHO CC[N@H+](CCc1ccncc1)Cc1ccc(CN(C)C)cc1 ZINC000626062026 350254639 /nfs/dbraw/zinc/25/46/39/350254639.db2.gz DBZQZKJCZRFXNE-UHFFFAOYSA-N 1 3 297.446 3.208 20 0 CGADHO CC[N@@H+](CCc1ccncc1)Cc1ccc(CN(C)C)cc1 ZINC000626062026 350254642 /nfs/dbraw/zinc/25/46/42/350254642.db2.gz DBZQZKJCZRFXNE-UHFFFAOYSA-N 1 3 297.446 3.208 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000626063004 350254860 /nfs/dbraw/zinc/25/48/60/350254860.db2.gz NZJXFNSIFLZROT-YJBOKZPZSA-N 1 3 290.451 3.138 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000628232810 350453990 /nfs/dbraw/zinc/45/39/90/350453990.db2.gz OQGJYQQGHFADCP-ZDUSSCGKSA-N 1 3 279.428 3.152 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628252526 350466591 /nfs/dbraw/zinc/46/65/91/350466591.db2.gz XWLFOMBLXGRHGP-INIZCTEOSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628252526 350466593 /nfs/dbraw/zinc/46/65/93/350466593.db2.gz XWLFOMBLXGRHGP-INIZCTEOSA-N 1 3 271.408 3.084 20 0 CGADHO Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000628425136 350535468 /nfs/dbraw/zinc/53/54/68/350535468.db2.gz BJIMKRBYLVFIDB-DLBZAZTESA-N 1 3 274.452 3.420 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000628425130 350535533 /nfs/dbraw/zinc/53/55/33/350535533.db2.gz BAQWCBYVYIJNIV-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000628425297 350535809 /nfs/dbraw/zinc/53/58/09/350535809.db2.gz GRTHLXQUFBHMFU-KBAYOESNSA-N 1 3 272.436 3.112 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN2)CC1 ZINC000629531373 350704252 /nfs/dbraw/zinc/70/42/52/350704252.db2.gz ITYFAWLHEDLUQK-LUKYLMHMSA-N 1 3 282.472 3.090 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000629531351 350704436 /nfs/dbraw/zinc/70/44/36/350704436.db2.gz ICPRRSAIWHAERM-XSLAGTTESA-N 1 3 296.499 3.481 20 0 CGADHO C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@@H](C)C1(F)F ZINC000629552263 350711759 /nfs/dbraw/zinc/71/17/59/350711759.db2.gz GLKRTEYKSQEMPL-CHWSQXEVSA-N 1 3 294.389 3.055 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccccc2CC(F)(F)F)C1 ZINC000629554525 350711963 /nfs/dbraw/zinc/71/19/63/350711963.db2.gz KEYZLJYZBOBTRS-KGLIPLIRSA-N 1 3 286.341 3.151 20 0 CGADHO CCC[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)OCC ZINC000629514154 350699933 /nfs/dbraw/zinc/69/99/33/350699933.db2.gz LMEIXYWRUSYDDW-ARFHVFGLSA-N 1 3 270.461 3.092 20 0 CGADHO Cc1ccc2ncc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2c1 ZINC000629518911 350700783 /nfs/dbraw/zinc/70/07/83/350700783.db2.gz MSXJRXSACWVUFX-SZMVWBNQSA-N 1 3 295.430 3.102 20 0 CGADHO c1ccc(CNCc2ccc(C3=CC[NH2+]CC3)cc2)cc1 ZINC000629723503 350752798 /nfs/dbraw/zinc/75/27/98/350752798.db2.gz NMZZZPSHGOTSNA-UHFFFAOYSA-N 1 3 278.399 3.353 20 0 CGADHO C[NH2+]Cc1ccc(-c2cc(CN(C)C)ccc2F)cc1 ZINC000629737714 350759719 /nfs/dbraw/zinc/75/97/19/350759719.db2.gz XUOGRVATNZSFQR-UHFFFAOYSA-N 1 3 272.367 3.274 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCc2ncccc21)CN1CCCC1 ZINC000631621308 351093027 /nfs/dbraw/zinc/09/30/27/351093027.db2.gz OTKQMRIMNPWJKO-QGZVFWFLSA-N 1 3 287.451 3.171 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cccc3ncccc23)[C@@H]1CCN ZINC000634688409 351573642 /nfs/dbraw/zinc/57/36/42/351573642.db2.gz ROSKRQUBYMWPII-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)[C@@H]1CCN ZINC000634688409 351573643 /nfs/dbraw/zinc/57/36/43/351573643.db2.gz ROSKRQUBYMWPII-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634734170 351580291 /nfs/dbraw/zinc/58/02/91/351580291.db2.gz YNDJSMUMLVUPJQ-UKRRQHHQSA-N 1 3 280.481 3.437 20 0 CGADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000635020424 351633035 /nfs/dbraw/zinc/63/30/35/351633035.db2.gz LFMMJOCSJCNQKX-ZDUSSCGKSA-N 1 3 284.378 3.322 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(Cc2ccccc2)C=CCCC1)C1CNC1 ZINC000635021463 351633039 /nfs/dbraw/zinc/63/30/39/351633039.db2.gz OXOUWYALAZVTLG-VQIMIIECSA-N 1 3 284.447 3.153 20 0 CGADHO C[C@@H](NC[C@]1(Cc2ccccc2)C=CCCC1)C1C[NH2+]C1 ZINC000635021463 351633040 /nfs/dbraw/zinc/63/30/40/351633040.db2.gz OXOUWYALAZVTLG-VQIMIIECSA-N 1 3 284.447 3.153 20 0 CGADHO Fc1ccc(F)c2c1CC[C@@H]2NCCC[C@@H]1CCC[NH2+]1 ZINC000423472552 282983565 /nfs/dbraw/zinc/98/35/65/282983565.db2.gz GAFNQBMDIAHRHK-NHYWBVRUSA-N 1 3 280.362 3.074 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005052 351622856 /nfs/dbraw/zinc/62/28/56/351622856.db2.gz GXAXPWMVKIUCOB-NVXWUHKLSA-N 1 3 286.419 3.150 20 0 CGADHO C[C@H](CCc1ccco1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635005052 351622858 /nfs/dbraw/zinc/62/28/58/351622858.db2.gz GXAXPWMVKIUCOB-NVXWUHKLSA-N 1 3 286.419 3.150 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000635005906 351623860 /nfs/dbraw/zinc/62/38/60/351623860.db2.gz QFOFHZZUUYWRCV-PGUXBMHVSA-N 1 3 280.362 3.059 20 0 CGADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1cccc2c1CCNC2 ZINC000635007580 351625616 /nfs/dbraw/zinc/62/56/16/351625616.db2.gz DTFKXJYVOKRXAF-NXHRZFHOSA-N 1 3 270.420 3.001 20 0 CGADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000635010404 351628188 /nfs/dbraw/zinc/62/81/88/351628188.db2.gz KNGMMAPDRLAEDN-CQSZACIVSA-N 1 3 266.388 3.183 20 0 CGADHO CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1F ZINC000152788802 188044046 /nfs/dbraw/zinc/04/40/46/188044046.db2.gz SBUUFBOTMUAPGY-ZENOOKHLSA-N 1 3 294.414 3.043 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271840938 191360330 /nfs/dbraw/zinc/36/03/30/191360330.db2.gz GRKLWLYZOYKVSA-OAHLLOKOSA-N 1 3 288.435 3.388 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cnc2ccsc2c1 ZINC000271841009 191361192 /nfs/dbraw/zinc/36/11/92/191361192.db2.gz GSSHIWHIABEFEO-GFCCVEGCSA-N 1 3 287.432 3.209 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cnc2ccsc2c1 ZINC000271841009 191361195 /nfs/dbraw/zinc/36/11/95/191361195.db2.gz GSSHIWHIABEFEO-GFCCVEGCSA-N 1 3 287.432 3.209 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000271829873 191353195 /nfs/dbraw/zinc/35/31/95/191353195.db2.gz DTVYXPKJPAPSMA-ZWKOTPCHSA-N 1 3 270.420 3.174 20 0 CGADHO Cc1cc(N2CCN(Cc3ccccc3)[C@H](C)C2)cc[nH+]1 ZINC000413535691 235287940 /nfs/dbraw/zinc/28/79/40/235287940.db2.gz UFGRUJQMAPRIPI-MRXNPFEDSA-N 1 3 281.403 3.101 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c(C)c1 ZINC000414064384 235327325 /nfs/dbraw/zinc/32/73/25/235327325.db2.gz FQXVSNYKEKBOHX-GDBMZVCRSA-N 1 3 290.451 3.386 20 0 CGADHO Cc1occc1CNCCCCC[NH+]1CCCCC1 ZINC000414349607 235393414 /nfs/dbraw/zinc/39/34/14/235393414.db2.gz KKGHOOPPDUWPPY-UHFFFAOYSA-N 1 3 264.413 3.334 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCC12CCC2 ZINC000337514788 283214197 /nfs/dbraw/zinc/21/41/97/283214197.db2.gz LBHZBEYNRPAISO-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(F)c1 ZINC000093514879 138347655 /nfs/dbraw/zinc/34/76/55/138347655.db2.gz AKZWSJYFIQUZCN-RHSMWYFYSA-N 1 3 278.415 3.269 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(C2CC2)c1 ZINC000422557963 235901903 /nfs/dbraw/zinc/90/19/03/235901903.db2.gz XQDVQTDOYMBQBP-DLBZAZTESA-N 1 3 258.409 3.171 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423224753 236001123 /nfs/dbraw/zinc/00/11/23/236001123.db2.gz KDNOCZXRUYEOKX-WHOFXGATSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423224753 236001125 /nfs/dbraw/zinc/00/11/25/236001125.db2.gz KDNOCZXRUYEOKX-WHOFXGATSA-N 1 3 266.816 3.303 20 0 CGADHO COc1cccc(C[C@H](NC[C@@H](C)C[NH3+])c2ccccc2)c1 ZINC000423296201 236028433 /nfs/dbraw/zinc/02/84/33/236028433.db2.gz GILCUOYTNGWHSE-KXBFYZLASA-N 1 3 298.430 3.163 20 0 CGADHO Cc1nc(-c2cc([C@H](C)NC[C@@H](C)C[NH3+])cs2)cs1 ZINC000423295823 236028578 /nfs/dbraw/zinc/02/85/78/236028578.db2.gz FVCJXZPFNSCPGQ-UWVGGRQHSA-N 1 3 295.477 3.425 20 0 CGADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423297973 236028966 /nfs/dbraw/zinc/02/89/66/236028966.db2.gz MPRRYXXGRZFTGF-NWDGAFQWSA-N 1 3 289.448 3.364 20 0 CGADHO Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H](C)CN)ccc1Cl ZINC000423302642 236030828 /nfs/dbraw/zinc/03/08/28/236030828.db2.gz HPKGJDZQRJTOAN-GXTWGEPZSA-N 1 3 298.858 3.380 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423321109 236037834 /nfs/dbraw/zinc/03/78/34/236037834.db2.gz MSEHPZCPGDPIHJ-DZGCQCFKSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CC[C@@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423321109 236037835 /nfs/dbraw/zinc/03/78/35/236037835.db2.gz MSEHPZCPGDPIHJ-DZGCQCFKSA-N 1 3 298.352 3.151 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cc2c(s1)CCCC2 ZINC000423322660 236038168 /nfs/dbraw/zinc/03/81/68/236038168.db2.gz OCAOCOOFNZAJHJ-GXFFZTMASA-N 1 3 264.438 3.015 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cc2ccccc2s1 ZINC000423321677 236038378 /nfs/dbraw/zinc/03/83/78/236038378.db2.gz NKVGRVBWJFXMLE-GXFFZTMASA-N 1 3 260.406 3.289 20 0 CGADHO Cc1cc(C)c([C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)cc1C ZINC000423408923 236066666 /nfs/dbraw/zinc/06/66/66/236066666.db2.gz YECZPOCOTAEOHE-VYDXJSESSA-N 1 3 260.425 3.260 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1C ZINC000423408923 236066667 /nfs/dbraw/zinc/06/66/67/236066667.db2.gz YECZPOCOTAEOHE-VYDXJSESSA-N 1 3 260.425 3.260 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423409374 236066742 /nfs/dbraw/zinc/06/67/42/236066742.db2.gz YVEIGIVUHVQRIN-XFBWCDHKSA-N 1 3 278.827 3.379 20 0 CGADHO COc1ccc([C@H](C)N[C@H](C)CCCC[NH3+])c(F)c1 ZINC000423420634 236068425 /nfs/dbraw/zinc/06/84/25/236068425.db2.gz BRHVSAZCKOIOFY-NEPJUHHUSA-N 1 3 268.376 3.002 20 0 CGADHO CCOc1ccccc1[C@@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423424707 236068463 /nfs/dbraw/zinc/06/84/63/236068463.db2.gz CPWLSRYHZXWYOP-XOKHGSTOSA-N 1 3 288.435 3.124 20 0 CGADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)sc1Br ZINC000423455850 236075524 /nfs/dbraw/zinc/07/55/24/236075524.db2.gz DASYFDASPUAVFW-HLTSFMKQSA-N 1 3 291.258 3.205 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000423473587 236080072 /nfs/dbraw/zinc/08/00/72/236080072.db2.gz YOQUXKMLJNBVON-GMXVVIOVSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423490997 236085126 /nfs/dbraw/zinc/08/51/26/236085126.db2.gz YIOPIFSHPCQHFV-WCQYABFASA-N 1 3 268.351 3.148 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1Cl ZINC000423496739 236086995 /nfs/dbraw/zinc/08/69/95/236086995.db2.gz XLMGHMTZTOVBTP-JBLDHEPKSA-N 1 3 270.779 3.257 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424282713 236141783 /nfs/dbraw/zinc/14/17/83/236141783.db2.gz AEPWBOSFPCAWNI-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccncc2C)CC1 ZINC000294562673 199087085 /nfs/dbraw/zinc/08/70/85/199087085.db2.gz MVHKPEHIPUDZAI-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccncc2C)CC1 ZINC000294562673 199087087 /nfs/dbraw/zinc/08/70/87/199087087.db2.gz MVHKPEHIPUDZAI-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO C[C@H](NC1CCC([NH3+])CC1)c1ccc(F)cc1Cl ZINC000051694284 299270462 /nfs/dbraw/zinc/27/04/62/299270462.db2.gz IJOQHWMMAUVBFG-GCVQQVDUSA-N 1 3 270.779 3.400 20 0 CGADHO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989839 297293897 /nfs/dbraw/zinc/29/38/97/297293897.db2.gz SDZSCUJGAVIIBW-CPUCHLNUSA-N 1 3 276.399 3.208 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422907545 296020750 /nfs/dbraw/zinc/02/07/50/296020750.db2.gz LOQXHTUGQWSMPZ-CHWSQXEVSA-N 1 3 280.843 3.477 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422907545 296020751 /nfs/dbraw/zinc/02/07/51/296020751.db2.gz LOQXHTUGQWSMPZ-CHWSQXEVSA-N 1 3 280.843 3.477 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422804507 296020769 /nfs/dbraw/zinc/02/07/69/296020769.db2.gz FFDHCSZXXQAUHL-HUUCEWRRSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccccc2)CCCC1 ZINC000422804507 296020770 /nfs/dbraw/zinc/02/07/70/296020770.db2.gz FFDHCSZXXQAUHL-HUUCEWRRSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000342143451 216236920 /nfs/dbraw/zinc/23/69/20/216236920.db2.gz TYEMMWBCIURKFN-JTQLQIEISA-N 1 3 288.313 3.117 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OC(F)F)cc1 ZINC000179616839 189207620 /nfs/dbraw/zinc/20/76/20/189207620.db2.gz QHTWKICHTMTSFO-GXTWGEPZSA-N 1 3 298.377 3.423 20 0 CGADHO C[C@H](Cc1ccoc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449103513 239177973 /nfs/dbraw/zinc/17/79/73/239177973.db2.gz BMRAJMYOSVCVPT-OAHLLOKOSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000449103513 239177979 /nfs/dbraw/zinc/17/79/79/239177979.db2.gz BMRAJMYOSVCVPT-OAHLLOKOSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000449233021 239258370 /nfs/dbraw/zinc/25/83/70/239258370.db2.gz KBNZYKOXWIRDSY-VYDXJSESSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449233021 239258375 /nfs/dbraw/zinc/25/83/75/239258375.db2.gz KBNZYKOXWIRDSY-VYDXJSESSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233021 239258377 /nfs/dbraw/zinc/25/83/77/239258377.db2.gz KBNZYKOXWIRDSY-VYDXJSESSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCCF)CC1 ZINC000462821379 242366147 /nfs/dbraw/zinc/36/61/47/242366147.db2.gz XZOMZUHYSQMZSF-ZBFHGGJFSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCF)CC1 ZINC000462821379 242366152 /nfs/dbraw/zinc/36/61/52/242366152.db2.gz XZOMZUHYSQMZSF-ZBFHGGJFSA-N 1 3 270.436 3.369 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335483058 212158182 /nfs/dbraw/zinc/15/81/82/212158182.db2.gz JAGSRGRNRCLVFJ-HOCLYGCPSA-N 1 3 278.827 3.318 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@@H]1NC1CC[NH2+]CC1 ZINC000335483058 212158183 /nfs/dbraw/zinc/15/81/83/212158183.db2.gz JAGSRGRNRCLVFJ-HOCLYGCPSA-N 1 3 278.827 3.318 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000423369931 299388468 /nfs/dbraw/zinc/38/84/68/299388468.db2.gz CSKIJTFZCIWYGY-XPXVYLNCSA-N 1 3 292.389 3.474 20 0 CGADHO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000335483253 212157820 /nfs/dbraw/zinc/15/78/20/212157820.db2.gz LUJSXGUKABAVFQ-HOTGVXAUSA-N 1 3 278.827 3.318 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1CC1(C)C ZINC000486974536 243389833 /nfs/dbraw/zinc/38/98/33/243389833.db2.gz XOPIQSUPPJVSGS-PBHICJAKSA-N 1 3 290.451 3.151 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2NCCC[NH+]1CCCC1 ZINC000020129158 368805692 /nfs/dbraw/zinc/80/56/92/368805692.db2.gz RYKVBTVLOWUOKG-KRWDZBQOSA-N 1 3 258.409 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000020129158 368805703 /nfs/dbraw/zinc/80/57/03/368805703.db2.gz RYKVBTVLOWUOKG-KRWDZBQOSA-N 1 3 258.409 3.140 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649538 369096782 /nfs/dbraw/zinc/09/67/82/369096782.db2.gz YBXQMSMLDGNBCZ-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649538 369096786 /nfs/dbraw/zinc/09/67/86/369096786.db2.gz YBXQMSMLDGNBCZ-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000037997515 369136775 /nfs/dbraw/zinc/13/67/75/369136775.db2.gz YNAMMDKFPNJQHU-MRXNPFEDSA-N 1 3 260.425 3.207 20 0 CGADHO [NH3+]C[C@H]1CCCN(Cc2csc3ccccc23)C1 ZINC000054465529 369502806 /nfs/dbraw/zinc/50/28/06/369502806.db2.gz BUIOOHXVDVHYME-GFCCVEGCSA-N 1 3 260.406 3.072 20 0 CGADHO CC[NH2+]CC1CCN(c2cc(C)nc3ccccc32)CC1 ZINC000053664474 369487987 /nfs/dbraw/zinc/48/79/87/369487987.db2.gz BBZIODNSMDHEQK-UHFFFAOYSA-N 1 3 283.419 3.369 20 0 CGADHO CCOc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197299 369643557 /nfs/dbraw/zinc/64/35/57/369643557.db2.gz DTEVYMDTZLXMBC-SFHVURJKSA-N 1 3 288.435 3.049 20 0 CGADHO COc1cccc([C@@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063198233 369643632 /nfs/dbraw/zinc/64/36/32/369643632.db2.gz XEKAVCIEHIJHHY-RDTXWAMCSA-N 1 3 288.435 3.220 20 0 CGADHO Cc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000067452905 369718163 /nfs/dbraw/zinc/71/81/63/369718163.db2.gz OFPWCTROADHBLD-KBPBESRZSA-N 1 3 296.480 3.036 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2sccc2C)CC1 ZINC000070091870 369780321 /nfs/dbraw/zinc/78/03/21/369780321.db2.gz GGLFMPKXHJZJGY-GFCCVEGCSA-N 1 3 252.427 3.191 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816378 370029883 /nfs/dbraw/zinc/02/98/83/370029883.db2.gz YOICTPGEHVXNRC-DYVFJYSZSA-N 1 3 285.435 3.475 20 0 CGADHO CCC(CC)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512181383 245022815 /nfs/dbraw/zinc/02/28/15/245022815.db2.gz BKCMBCRVPOGQJD-HOTGVXAUSA-N 1 3 296.499 3.244 20 0 CGADHO CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000513714085 245095051 /nfs/dbraw/zinc/09/50/51/245095051.db2.gz XZPOWRDCUZAAMA-KZNAEPCWSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102684 371012417 /nfs/dbraw/zinc/01/24/17/371012417.db2.gz JAZXUNNVPGEBRD-OBJOEFQTSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102684 371012423 /nfs/dbraw/zinc/01/24/23/371012423.db2.gz JAZXUNNVPGEBRD-OBJOEFQTSA-N 1 3 298.377 3.421 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000130230712 371020400 /nfs/dbraw/zinc/02/04/00/371020400.db2.gz VXGPIDLPKGLRHB-HNNXBMFYSA-N 1 3 260.425 3.438 20 0 CGADHO c1ccc(C2CCC([NH2+]C[C@@H]3CCCNC3)CC2)cc1 ZINC000130897038 371068474 /nfs/dbraw/zinc/06/84/74/371068474.db2.gz ORRKZMPWBSBFGS-FAEJEUNOSA-N 1 3 272.436 3.302 20 0 CGADHO Cc1cccc(C)c1CNC1CC[NH+](C2CC2)CC1 ZINC000130943338 371071302 /nfs/dbraw/zinc/07/13/02/371071302.db2.gz UDOADTHKADPRJE-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000151104996 371569600 /nfs/dbraw/zinc/56/96/00/371569600.db2.gz XYRUAIILNXITKM-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000151128952 371575080 /nfs/dbraw/zinc/57/50/80/371575080.db2.gz YYBQYYVSKDYHIU-ZIAGYGMSSA-N 1 3 293.480 3.150 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419005 371694508 /nfs/dbraw/zinc/69/45/08/371694508.db2.gz WZIPCUWQPSDSFP-QWRGUYRKSA-N 1 3 298.352 3.239 20 0 CGADHO c1cncc(C[NH2+]CCCNCc2cccc(C3CC3)c2)c1 ZINC000422556681 371748319 /nfs/dbraw/zinc/74/83/19/371748319.db2.gz UHFPEONORAPLCO-UHFFFAOYSA-N 1 3 295.430 3.229 20 0 CGADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000422709315 371761777 /nfs/dbraw/zinc/76/17/77/371761777.db2.gz KIKXADDCCHBVEV-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)c(C)c1 ZINC000422709315 371761783 /nfs/dbraw/zinc/76/17/83/371761783.db2.gz KIKXADDCCHBVEV-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000422706731 371762179 /nfs/dbraw/zinc/76/21/79/371762179.db2.gz FSMQJPLCLDADPY-YOEHRIQHSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+][C@@H](C)C1CNC1 ZINC000422706731 371762185 /nfs/dbraw/zinc/76/21/85/371762185.db2.gz FSMQJPLCLDADPY-YOEHRIQHSA-N 1 3 260.425 3.280 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1nccc2ccccc21 ZINC000289629706 371777820 /nfs/dbraw/zinc/77/78/20/371777820.db2.gz HFNXMHWROOIHMZ-CQSZACIVSA-N 1 3 285.435 3.473 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCSc1ccc(F)cc1 ZINC000422751510 371784711 /nfs/dbraw/zinc/78/47/11/371784711.db2.gz CUZRZGCGVXDPSE-NWDGAFQWSA-N 1 3 270.417 3.023 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCCSc1ccc(F)cc1 ZINC000422751510 371784716 /nfs/dbraw/zinc/78/47/16/371784716.db2.gz CUZRZGCGVXDPSE-NWDGAFQWSA-N 1 3 270.417 3.023 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755047 371787817 /nfs/dbraw/zinc/78/78/17/371787817.db2.gz FGZFPFJPFZGSKX-ZIAGYGMSSA-N 1 3 284.350 3.038 20 0 CGADHO C[C@H](NCCCCOc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422833906 371832224 /nfs/dbraw/zinc/83/22/24/371832224.db2.gz NBFQZJRLUHDFAO-WMLDXEAASA-N 1 3 294.414 3.105 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccs2)CCCCC1 ZINC000422775014 371798730 /nfs/dbraw/zinc/79/87/30/371798730.db2.gz ZKTYDBHYTDYADJ-UONOGXRCSA-N 1 3 278.465 3.419 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000422780843 371802739 /nfs/dbraw/zinc/80/27/39/371802739.db2.gz KTNFIEXSVVQECE-JJTUDDRGSA-N 1 3 294.483 3.090 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000422785164 371804925 /nfs/dbraw/zinc/80/49/25/371804925.db2.gz PCFCXYXNWAVQLG-QWHCGFSZSA-N 1 3 275.440 3.468 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422787864 371809207 /nfs/dbraw/zinc/80/92/07/371809207.db2.gz AGZNEJIIBHZFQL-HHARLNAUSA-N 1 3 264.457 3.323 20 0 CGADHO COc1cc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1C ZINC000422790663 371811550 /nfs/dbraw/zinc/81/15/50/371811550.db2.gz VDXHBBLZOPIJNQ-MSOLQXFVSA-N 1 3 296.414 3.281 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000422799001 371815665 /nfs/dbraw/zinc/81/56/65/371815665.db2.gz UPSULHVSVSOGMB-WOSRLPQWSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000422799574 371818397 /nfs/dbraw/zinc/81/83/97/371818397.db2.gz XKBKNRAGGKUEEK-RLCCDNCMSA-N 1 3 282.378 3.318 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802996 371818470 /nfs/dbraw/zinc/81/84/70/371818470.db2.gz CFCCELBNPZLQNJ-BLYZHGLHSA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422801952 371819269 /nfs/dbraw/zinc/81/92/69/371819269.db2.gz CQYXSOOWJLBEGB-ZENOOKHLSA-N 1 3 266.404 3.108 20 0 CGADHO CCCCO[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)C1(C)C ZINC000344085097 217043214 /nfs/dbraw/zinc/04/32/14/217043214.db2.gz LTYLLBWKIFPOCU-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCO[C@H]1C[C@@H](NCCC[NH+]2CCCC2)C1(C)C ZINC000344085097 217043216 /nfs/dbraw/zinc/04/32/16/217043216.db2.gz LTYLLBWKIFPOCU-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CSCc1cc(F)ccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422866847 371844418 /nfs/dbraw/zinc/84/44/18/371844418.db2.gz RHFJQQNVBWOFSH-WBMJQRKESA-N 1 3 296.455 3.296 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000422873614 371848188 /nfs/dbraw/zinc/84/81/88/371848188.db2.gz ATDASHOOXUDNCE-CVEARBPZSA-N 1 3 298.430 3.481 20 0 CGADHO Fc1cccc([C@H]([NH2+]C2CCNCC2)C2CCCC2)c1 ZINC000422881831 371852126 /nfs/dbraw/zinc/85/21/26/371852126.db2.gz ZFPGNDXKULACPM-QGZVFWFLSA-N 1 3 276.399 3.399 20 0 CGADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1oc2ccccc2c1C ZINC000422893838 371857828 /nfs/dbraw/zinc/85/78/28/371857828.db2.gz BABMEBVOSIKMLA-KBPBESRZSA-N 1 3 290.407 3.146 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000154679060 371867197 /nfs/dbraw/zinc/86/71/97/371867197.db2.gz QCAYHGYEDRXPKL-INIZCTEOSA-N 1 3 286.529 3.429 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000154679060 371867200 /nfs/dbraw/zinc/86/72/00/371867200.db2.gz QCAYHGYEDRXPKL-INIZCTEOSA-N 1 3 286.529 3.429 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422917097 371867407 /nfs/dbraw/zinc/86/74/07/371867407.db2.gz FNGOMSKQUGJUIZ-GOEBONIOSA-N 1 3 272.392 3.082 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1cc2ccccc2o1 ZINC000422917097 371867412 /nfs/dbraw/zinc/86/74/12/371867412.db2.gz FNGOMSKQUGJUIZ-GOEBONIOSA-N 1 3 272.392 3.082 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000422916244 371867739 /nfs/dbraw/zinc/86/77/39/371867739.db2.gz CZWLHRJBHDVODE-LDTOTXGLSA-N 1 3 294.442 3.166 20 0 CGADHO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422917018 371868400 /nfs/dbraw/zinc/86/84/00/371868400.db2.gz FFZSLOSNIKTWCZ-YNEHKIRRSA-N 1 3 263.429 3.324 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1Cl ZINC000422919410 371870493 /nfs/dbraw/zinc/87/04/93/371870493.db2.gz JXQWLIWWVFELAM-UMVBOHGHSA-N 1 3 296.842 3.085 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1cccc(C)c1 ZINC000422922485 371872013 /nfs/dbraw/zinc/87/20/13/371872013.db2.gz SWSLRTCPLTVJOL-LZLYRXPVSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422922485 371872020 /nfs/dbraw/zinc/87/20/20/371872020.db2.gz SWSLRTCPLTVJOL-LZLYRXPVSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422927871 371876351 /nfs/dbraw/zinc/87/63/51/371876351.db2.gz HNIXFQLDJMMDFZ-MBNYWOFBSA-N 1 3 284.831 3.213 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(Cl)s1 ZINC000422934892 371879596 /nfs/dbraw/zinc/87/95/96/371879596.db2.gz GQKFBDSUNLOVAK-NWDGAFQWSA-N 1 3 272.845 3.194 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000423051740 371936529 /nfs/dbraw/zinc/93/65/29/371936529.db2.gz OYVNQLRRWDWANZ-BZZMCLGOSA-N 1 3 294.483 3.092 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422975204 371897798 /nfs/dbraw/zinc/89/77/98/371897798.db2.gz BILJAKBIHHXTOX-YOEHRIQHSA-N 1 3 290.451 3.080 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C)Oc1ccccc1 ZINC000422982529 371900807 /nfs/dbraw/zinc/90/08/07/371900807.db2.gz QZQCNEHCKDDVQG-MDZRGWNJSA-N 1 3 298.430 3.002 20 0 CGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423065473 371942972 /nfs/dbraw/zinc/94/29/72/371942972.db2.gz BITDNTCDQDCJSN-BHYGNILZSA-N 1 3 294.483 3.221 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422984973 371902044 /nfs/dbraw/zinc/90/20/44/371902044.db2.gz ZTTQAGPOGBCVTO-GBESFXJTSA-N 1 3 286.463 3.438 20 0 CGADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)cc1 ZINC000422984973 371902048 /nfs/dbraw/zinc/90/20/48/371902048.db2.gz ZTTQAGPOGBCVTO-GBESFXJTSA-N 1 3 286.463 3.438 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422990247 371905286 /nfs/dbraw/zinc/90/52/86/371905286.db2.gz MZESDSCLYMXFAT-GBJTYRQASA-N 1 3 286.410 3.465 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000422990247 371905292 /nfs/dbraw/zinc/90/52/92/371905292.db2.gz MZESDSCLYMXFAT-GBJTYRQASA-N 1 3 286.410 3.465 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024137 371919740 /nfs/dbraw/zinc/91/97/40/371919740.db2.gz LBNBSDIJCDIJLS-IUODEOHRSA-N 1 3 278.827 3.089 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423024137 371919750 /nfs/dbraw/zinc/91/97/50/371919750.db2.gz LBNBSDIJCDIJLS-IUODEOHRSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@H]1CCc2ccccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423033744 371926414 /nfs/dbraw/zinc/92/64/14/371926414.db2.gz ZWDXWNOWJOEBDF-MIBDQSOXSA-N 1 3 270.420 3.183 20 0 CGADHO CSc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423097276 371960828 /nfs/dbraw/zinc/96/08/28/371960828.db2.gz QPMRYWWELROJSB-CVEARBPZSA-N 1 3 278.465 3.201 20 0 CGADHO CCOc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000423100352 371963961 /nfs/dbraw/zinc/96/39/61/371963961.db2.gz GTGHTZVTEFHANN-ZFWWWQNUSA-N 1 3 296.842 3.346 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423108121 371971091 /nfs/dbraw/zinc/97/10/91/371971091.db2.gz STALQMWPZPFJRV-WOPDTQHZSA-N 1 3 252.427 3.185 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423172036 372001876 /nfs/dbraw/zinc/00/18/76/372001876.db2.gz QYULAERCJBKJEM-NQNKBUKLSA-N 1 3 264.457 3.321 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423172036 372001884 /nfs/dbraw/zinc/00/18/84/372001884.db2.gz QYULAERCJBKJEM-NQNKBUKLSA-N 1 3 264.457 3.321 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423170671 372002253 /nfs/dbraw/zinc/00/22/53/372002253.db2.gz MQZJYIXDQPXKHW-HOCLYGCPSA-N 1 3 292.854 3.380 20 0 CGADHO COC[C@@H](N[C@H](C)CCCC[NH3+])c1cccc(Cl)c1 ZINC000423130424 371982708 /nfs/dbraw/zinc/98/27/08/371982708.db2.gz YGZRFBIRKZYIIG-IUODEOHRSA-N 1 3 284.831 3.135 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2CN)c(C)c1 ZINC000423133996 371984418 /nfs/dbraw/zinc/98/44/18/371984418.db2.gz RCRWVCYFEKVFFJ-NVXWUHKLSA-N 1 3 274.452 3.298 20 0 CGADHO CCSc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423139130 371986470 /nfs/dbraw/zinc/98/64/70/371986470.db2.gz YVEWFXSTYAQDDL-XJKSGUPXSA-N 1 3 278.465 3.276 20 0 CGADHO Cc1cccnc1CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423153984 371994504 /nfs/dbraw/zinc/99/45/04/371994504.db2.gz OLKHHGHNZKNPBB-IAGOWNOFSA-N 1 3 289.467 3.223 20 0 CGADHO c1ccc([C@H]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423155046 371994726 /nfs/dbraw/zinc/99/47/26/371994726.db2.gz IQTSOQKHFNAOJF-QRXAFDDPSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N1CCC(Cc2c(F)cccc2F)CC1 ZINC000423168485 372000578 /nfs/dbraw/zinc/00/05/78/372000578.db2.gz YBFUJKJTQSXHEV-QWHCGFSZSA-N 1 3 296.405 3.345 20 0 CGADHO C[C@](O)(C[NH2+][C@H]1C[C@H](N)c2ccccc21)C1CCCCC1 ZINC000423070165 371945645 /nfs/dbraw/zinc/94/56/45/371945645.db2.gz FRDWBGQVYWAION-BZSNNMDCSA-N 1 3 288.435 3.052 20 0 CGADHO COC1CCC(C)(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423089174 371956311 /nfs/dbraw/zinc/95/63/11/371956311.db2.gz UNCDNBMKHFWEQW-NBIFXARBSA-N 1 3 288.435 3.316 20 0 CGADHO CCCC[C@H](COC)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000157364575 372017391 /nfs/dbraw/zinc/01/73/91/372017391.db2.gz RSIWFISPPBKQMZ-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@H](COC)NCC[C@H](C)[NH+]1CCCCC1 ZINC000157364575 372017400 /nfs/dbraw/zinc/01/74/00/372017400.db2.gz RSIWFISPPBKQMZ-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423193762 372019207 /nfs/dbraw/zinc/01/92/07/372019207.db2.gz WFFGJZRPYKGVHB-IUODEOHRSA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423193762 372019214 /nfs/dbraw/zinc/01/92/14/372019214.db2.gz WFFGJZRPYKGVHB-IUODEOHRSA-N 1 3 294.389 3.104 20 0 CGADHO CNCCC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423197970 372021798 /nfs/dbraw/zinc/02/17/98/372021798.db2.gz CHPCNTXZTPOWQD-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO C[NH2+]CCCN[C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423197970 372021805 /nfs/dbraw/zinc/02/18/05/372021805.db2.gz CHPCNTXZTPOWQD-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290593867 372024331 /nfs/dbraw/zinc/02/43/31/372024331.db2.gz VNCOXCQQCLKPCK-CRAIPNDOSA-N 1 3 290.451 3.246 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290593867 372024336 /nfs/dbraw/zinc/02/43/36/372024336.db2.gz VNCOXCQQCLKPCK-CRAIPNDOSA-N 1 3 290.451 3.246 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000423207941 372030975 /nfs/dbraw/zinc/03/09/75/372030975.db2.gz HKGDZIRMPKVZHH-MELADBBJSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423255978 372043994 /nfs/dbraw/zinc/04/39/94/372043994.db2.gz BDQCJSOTVLNALO-CWRNSKLLSA-N 1 3 260.425 3.014 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000423369138 372055397 /nfs/dbraw/zinc/05/53/97/372055397.db2.gz SNZLDELOYFXBSF-IAGOWNOFSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)c2sccc21 ZINC000423381969 372057710 /nfs/dbraw/zinc/05/77/10/372057710.db2.gz DDXUIAZTGKHGJD-OXHZDVMGSA-N 1 3 264.438 3.274 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)c2sccc21 ZINC000423381969 372057717 /nfs/dbraw/zinc/05/77/17/372057717.db2.gz DDXUIAZTGKHGJD-OXHZDVMGSA-N 1 3 264.438 3.274 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000423185178 372013157 /nfs/dbraw/zinc/01/31/57/372013157.db2.gz MSULPCDUVVAOEA-INIZCTEOSA-N 1 3 258.409 3.022 20 0 CGADHO CS[C@@H]1CC[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000425349291 372122515 /nfs/dbraw/zinc/12/25/15/372122515.db2.gz FJOYTJPEXSSLJE-HUUCEWRRSA-N 1 3 270.486 3.125 20 0 CGADHO CS[C@@H]1CC[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000425349291 372122520 /nfs/dbraw/zinc/12/25/20/372122520.db2.gz FJOYTJPEXSSLJE-HUUCEWRRSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000423450545 372065403 /nfs/dbraw/zinc/06/54/03/372065403.db2.gz HKPBSGIQFPGTAY-GUYCJALGSA-N 1 3 287.382 3.027 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000425919953 372145128 /nfs/dbraw/zinc/14/51/28/372145128.db2.gz GWADZCUUIFKTCS-CVEARBPZSA-N 1 3 262.441 3.103 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@@H](C)CN(C)C)C2CC2)cc1 ZINC000425938227 372146453 /nfs/dbraw/zinc/14/64/53/372146453.db2.gz VXZUJTXTZMZXDN-CRAIPNDOSA-N 1 3 274.452 3.103 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252225 217120042 /nfs/dbraw/zinc/12/00/42/217120042.db2.gz BASQPKBRPDNUGO-KXBFYZLASA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252225 217120045 /nfs/dbraw/zinc/12/00/45/217120045.db2.gz BASQPKBRPDNUGO-KXBFYZLASA-N 1 3 295.430 3.178 20 0 CGADHO CC1(C)CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000163603211 372483373 /nfs/dbraw/zinc/48/33/73/372483373.db2.gz BJQZBJSCHJUVRH-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000163213814 372453251 /nfs/dbraw/zinc/45/32/51/372453251.db2.gz FCAIMNZAQGAHFD-SWLSCSKDSA-N 1 3 294.439 3.294 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000294889891 372675896 /nfs/dbraw/zinc/67/58/96/372675896.db2.gz YIBRLZJLHQPJCO-IIDMSEBBSA-N 1 3 290.451 3.184 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@@H]12 ZINC000435391720 372758143 /nfs/dbraw/zinc/75/81/43/372758143.db2.gz XVCQTFGUHNOGIT-USXIJHARSA-N 1 3 282.387 3.116 20 0 CGADHO c1ccc(CN(CC2CCCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435390854 372758292 /nfs/dbraw/zinc/75/82/92/372758292.db2.gz CFEDVIVVLBKGLU-SFHVURJKSA-N 1 3 287.451 3.216 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000333255467 205158355 /nfs/dbraw/zinc/15/83/55/205158355.db2.gz HUTGFPWCEYMUIO-UHTWSYAYSA-N 1 3 275.421 3.217 20 0 CGADHO CN(CCC1CCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000441384697 373004166 /nfs/dbraw/zinc/00/41/66/373004166.db2.gz UZDANQCKFFTBLU-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CN(CCC1CCCC1)CC[C@H]1CCCC[N@H+]1C ZINC000441384697 373004172 /nfs/dbraw/zinc/00/41/72/373004172.db2.gz UZDANQCKFFTBLU-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1CCSc1ccc(Cl)cc1 ZINC000442757891 373073524 /nfs/dbraw/zinc/07/35/24/373073524.db2.gz NJISYDAKIGUJDP-NWDGAFQWSA-N 1 3 284.856 3.101 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000173786128 373190463 /nfs/dbraw/zinc/19/04/63/373190463.db2.gz NXEYZKHULFSHBM-IAGOWNOFSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000173786128 373190469 /nfs/dbraw/zinc/19/04/69/373190469.db2.gz NXEYZKHULFSHBM-IAGOWNOFSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cc(NCC2CC[NH+](C3CC3)CC2)c2ccccc2n1 ZINC000444870275 373283858 /nfs/dbraw/zinc/28/38/58/373283858.db2.gz JMEWFIOVIPASLN-UHFFFAOYSA-N 1 3 295.430 3.251 20 0 CGADHO COC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCCC1 ZINC000446741931 373354900 /nfs/dbraw/zinc/35/49/00/373354900.db2.gz CVLJQXVNYUSIMI-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO CCc1ccc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)o1 ZINC000447567804 373452380 /nfs/dbraw/zinc/45/23/80/373452380.db2.gz FIQYLPBAFPHUCP-CYBMUJFWSA-N 1 3 276.424 3.367 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000447819437 373498356 /nfs/dbraw/zinc/49/83/56/373498356.db2.gz AEFFNZDXDHTRBV-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO CCC[NH+](CCC)CCCNC1CC2(CCC2)C1 ZINC000448074923 373548422 /nfs/dbraw/zinc/54/84/22/373548422.db2.gz QQECAEIYZDGQCH-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO COCC1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000449063258 373659038 /nfs/dbraw/zinc/65/90/38/373659038.db2.gz OHPFPONAKPNIEI-KLAILNCOSA-N 1 3 282.472 3.046 20 0 CGADHO CCc1cc(N2CCC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301767211 373802823 /nfs/dbraw/zinc/80/28/23/373802823.db2.gz BSMXCPNRNJSLLT-HNNXBMFYSA-N 1 3 283.419 3.328 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](c1ccccc1)C1CC1 ZINC000179687954 373905288 /nfs/dbraw/zinc/90/52/88/373905288.db2.gz NMTPTTZAMPFQLN-SJORKVTESA-N 1 3 258.409 3.212 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](c1ccccc1)C1CC1 ZINC000179687954 373905293 /nfs/dbraw/zinc/90/52/93/373905293.db2.gz NMTPTTZAMPFQLN-SJORKVTESA-N 1 3 258.409 3.212 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179687954 373905299 /nfs/dbraw/zinc/90/52/99/373905299.db2.gz NMTPTTZAMPFQLN-SJORKVTESA-N 1 3 258.409 3.212 20 0 CGADHO COc1cccc(Cl)c1CNC1CCC([NH+](C)C)CC1 ZINC000353672413 220242551 /nfs/dbraw/zinc/24/25/51/220242551.db2.gz NOQNEPMZFOOAAM-UHFFFAOYSA-N 1 3 296.842 3.311 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000181907295 374190104 /nfs/dbraw/zinc/19/01/04/374190104.db2.gz DEGHLFZGFPZSGX-HNNXBMFYSA-N 1 3 294.414 3.217 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700418 374336195 /nfs/dbraw/zinc/33/61/95/374336195.db2.gz BWPSWVCYQAQEKX-YQQAZPJKSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700418 374336203 /nfs/dbraw/zinc/33/62/03/374336203.db2.gz BWPSWVCYQAQEKX-YQQAZPJKSA-N 1 3 298.434 3.006 20 0 CGADHO COC1(C[NH2+]C[C@H](C)CN2CCCCC2)CCCCC1 ZINC000319532161 374345788 /nfs/dbraw/zinc/34/57/88/374345788.db2.gz BMTFFULHGWUQSY-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO COC1(CNC[C@H](C)C[NH+]2CCCCC2)CCCCC1 ZINC000319532161 374345795 /nfs/dbraw/zinc/34/57/95/374345795.db2.gz BMTFFULHGWUQSY-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328126523 374361230 /nfs/dbraw/zinc/36/12/30/374361230.db2.gz UHZXSNVAKWONAL-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1-n1cccn1 ZINC000183176295 374382268 /nfs/dbraw/zinc/38/22/68/374382268.db2.gz SHXDFJLGTCILGW-CVEARBPZSA-N 1 3 298.434 3.007 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251153221 189969048 /nfs/dbraw/zinc/96/90/48/189969048.db2.gz ILZWJSLGWARQDI-RCCFBDPRSA-N 1 3 272.436 3.395 20 0 CGADHO CC(C)CCOCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665620 374708085 /nfs/dbraw/zinc/70/80/85/374708085.db2.gz YCRANBHYMBVRJJ-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665620 374708093 /nfs/dbraw/zinc/70/80/93/374708093.db2.gz YCRANBHYMBVRJJ-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185665620 374708098 /nfs/dbraw/zinc/70/80/98/374708098.db2.gz YCRANBHYMBVRJJ-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO CCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185667199 374710423 /nfs/dbraw/zinc/71/04/23/374710423.db2.gz WJJCENQAWDKNKS-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185706292 374719078 /nfs/dbraw/zinc/71/90/78/374719078.db2.gz PREFDRQUSZLXGY-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC2CCC(F)(F)CC2)c2ccccc21 ZINC000335024767 375078189 /nfs/dbraw/zinc/07/81/89/375078189.db2.gz DWOIIWIRZDVGJM-ZIAGYGMSSA-N 1 3 266.335 3.299 20 0 CGADHO c1cc(C[NH2+][C@H]2CCCC23CCC3)cc2c1CNC2 ZINC000335056869 375095967 /nfs/dbraw/zinc/09/59/67/375095967.db2.gz AJEQEFKRFGQVAR-INIZCTEOSA-N 1 3 256.393 3.102 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189145567 375331649 /nfs/dbraw/zinc/33/16/49/375331649.db2.gz VWKAWWNJCJSMAN-QLFBSQMISA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)CN(C)C ZINC000491589238 375335420 /nfs/dbraw/zinc/33/54/20/375335420.db2.gz PCULMVHGLLUPSA-PVAVHDDUSA-N 1 3 260.425 3.110 20 0 CGADHO c1ccc2c(c1)CC[C@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000335691948 375351147 /nfs/dbraw/zinc/35/11/47/375351147.db2.gz ILULCKYEFSXFGG-GOSISDBHSA-N 1 3 270.420 3.280 20 0 CGADHO Cc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc2cccnc12 ZINC000335756522 375403630 /nfs/dbraw/zinc/40/36/30/375403630.db2.gz QMOWHXJFHMNFSB-YOEHRIQHSA-N 1 3 283.419 3.102 20 0 CGADHO CC(C)C(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)C(C)C ZINC000191701367 375654295 /nfs/dbraw/zinc/65/42/95/375654295.db2.gz JKQXFZMETTXIMF-LSDHHAIUSA-N 1 3 252.446 3.131 20 0 CGADHO c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c2c(c1)CNCC2 ZINC000123991683 542029626 /nfs/dbraw/zinc/02/96/26/542029626.db2.gz NKZSTHQYELHOGP-KSSFIOAISA-N 1 3 270.420 3.097 20 0 CGADHO c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c2c(c1)CNCC2 ZINC000123991683 542029630 /nfs/dbraw/zinc/02/96/30/542029630.db2.gz NKZSTHQYELHOGP-KSSFIOAISA-N 1 3 270.420 3.097 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc2c1CCNC2 ZINC000123941549 542029645 /nfs/dbraw/zinc/02/96/45/542029645.db2.gz HTVARDWRMFNDPA-KDOFPFPSSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000123941549 542029647 /nfs/dbraw/zinc/02/96/47/542029647.db2.gz HTVARDWRMFNDPA-KDOFPFPSSA-N 1 3 272.436 3.343 20 0 CGADHO CC1CCC([N@H+](C)Cc2cccc3c2CCNC3)CC1 ZINC000123925063 542029748 /nfs/dbraw/zinc/02/97/48/542029748.db2.gz JOWQCVIQKMMXPZ-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC1CCC([N@@H+](C)Cc2cccc3c2CCNC3)CC1 ZINC000123925063 542029751 /nfs/dbraw/zinc/02/97/51/542029751.db2.gz JOWQCVIQKMMXPZ-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000507483231 375707066 /nfs/dbraw/zinc/70/70/66/375707066.db2.gz RFEYMNXUFPPRKF-CVEARBPZSA-N 1 3 294.483 3.188 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000508132162 375737620 /nfs/dbraw/zinc/73/76/20/375737620.db2.gz QBOITSVMWDSDBC-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000508132162 375737628 /nfs/dbraw/zinc/73/76/28/375737628.db2.gz QBOITSVMWDSDBC-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000508132162 375737631 /nfs/dbraw/zinc/73/76/31/375737631.db2.gz QBOITSVMWDSDBC-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO CC(CN1CCCC[C@@H]1C)C[N@@H+]1CCCC[C@@H]1C ZINC000510261807 375785342 /nfs/dbraw/zinc/78/53/42/375785342.db2.gz QJULSJRBKVGBMS-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO CC(CN1CCCC[C@@H]1C)C[N@H+]1CCCC[C@@H]1C ZINC000510261807 375785346 /nfs/dbraw/zinc/78/53/46/375785346.db2.gz QJULSJRBKVGBMS-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CC1CCC1)CN1CCCCC1 ZINC000129199395 542054778 /nfs/dbraw/zinc/05/47/78/542054778.db2.gz VIGLRQUCYCSZJS-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000192922766 375802713 /nfs/dbraw/zinc/80/27/13/375802713.db2.gz PTOFNQWAPOAKSM-AEFFLSMTSA-N 1 3 295.430 3.254 20 0 CGADHO C[NH+]1CCC(CN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000194987499 376069028 /nfs/dbraw/zinc/06/90/28/376069028.db2.gz UMAICDSHPNKRPQ-LJQANCHMSA-N 1 3 295.430 3.102 20 0 CGADHO C[C@@H]([NH2+]CCCC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000536864043 376139262 /nfs/dbraw/zinc/13/92/62/376139262.db2.gz PRMQUNYRZQRESN-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc12 ZINC000215977331 376154128 /nfs/dbraw/zinc/15/41/28/376154128.db2.gz JSWATYFYSMBKSK-UONOGXRCSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)c2ccccc12 ZINC000215977331 376154133 /nfs/dbraw/zinc/15/41/33/376154133.db2.gz JSWATYFYSMBKSK-UONOGXRCSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@H+]2C[C@@H](CN)C[C@@H]2C)c2ccccc12 ZINC000215977331 376154138 /nfs/dbraw/zinc/15/41/38/376154138.db2.gz JSWATYFYSMBKSK-UONOGXRCSA-N 1 3 284.403 3.018 20 0 CGADHO CCC[C@H](C)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000538307508 376231402 /nfs/dbraw/zinc/23/14/02/376231402.db2.gz AMEMNKZUFZFVQD-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](CN(C)CC3CC3)C2)C1 ZINC000538953587 376281352 /nfs/dbraw/zinc/28/13/52/376281352.db2.gz IFTWNCHCPNVTSJ-KBAYOESNSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](CN(C)CC3CC3)C2)C1 ZINC000538953587 376281354 /nfs/dbraw/zinc/28/13/54/376281354.db2.gz IFTWNCHCPNVTSJ-KBAYOESNSA-N 1 3 278.484 3.476 20 0 CGADHO FC1(F)CCC[C@H](CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000338319773 376331858 /nfs/dbraw/zinc/33/18/58/376331858.db2.gz RRZDYEUGOWNIOR-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000338319773 376331862 /nfs/dbraw/zinc/33/18/62/376331862.db2.gz RRZDYEUGOWNIOR-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000338319773 376331866 /nfs/dbraw/zinc/33/18/66/376331866.db2.gz RRZDYEUGOWNIOR-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]CCCN(C)C(C)C)C1 ZINC000226339333 376353163 /nfs/dbraw/zinc/35/31/63/376353163.db2.gz HFHKMMPPWWQGIH-HOCLYGCPSA-N 1 3 252.446 3.299 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]CCCN(C)C(C)C)C12CCCC2 ZINC000224589682 376284473 /nfs/dbraw/zinc/28/44/73/376284473.db2.gz GBJUJFGQNBHVAN-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@H]1C[C@@H](NCCC[N@H+](C)C(C)C)C12CCCC2 ZINC000224589682 376284476 /nfs/dbraw/zinc/28/44/76/376284476.db2.gz GBJUJFGQNBHVAN-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@H]1C[C@@H](NCCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589682 376284481 /nfs/dbraw/zinc/28/44/81/376284481.db2.gz GBJUJFGQNBHVAN-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](NCc1nc(C(C)(C)C)cs1)C1CC[NH+](C)CC1 ZINC000133602637 542080060 /nfs/dbraw/zinc/08/00/60/542080060.db2.gz VXQPATNJEUBHPK-LBPRGKRZSA-N 1 3 295.496 3.261 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000228928958 376453179 /nfs/dbraw/zinc/45/31/79/376453179.db2.gz HAGCZVDFBPOYSR-MAZHCROVSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000228928958 376453184 /nfs/dbraw/zinc/45/31/84/376453184.db2.gz HAGCZVDFBPOYSR-MAZHCROVSA-N 1 3 264.388 3.349 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)[C@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093562 376605139 /nfs/dbraw/zinc/60/51/39/376605139.db2.gz MGKFFKZPTIBJRY-YCPHGPKFSA-N 1 3 280.481 3.484 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)[C@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093562 376605145 /nfs/dbraw/zinc/60/51/45/376605145.db2.gz MGKFFKZPTIBJRY-YCPHGPKFSA-N 1 3 280.481 3.484 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000543091492 376605905 /nfs/dbraw/zinc/60/59/05/376605905.db2.gz LXOZJDRPCQBSBB-DOTOQJQBSA-N 1 3 292.492 3.487 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000543091492 376605907 /nfs/dbraw/zinc/60/59/07/376605907.db2.gz LXOZJDRPCQBSBB-DOTOQJQBSA-N 1 3 292.492 3.487 20 0 CGADHO C[C@H](c1ccc(F)cc1)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000245816484 376912691 /nfs/dbraw/zinc/91/26/91/376912691.db2.gz JKGMINLZAJNUQS-KGLIPLIRSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@H](c1ccc(F)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245816484 376912698 /nfs/dbraw/zinc/91/26/98/376912698.db2.gz JKGMINLZAJNUQS-KGLIPLIRSA-N 1 3 264.388 3.160 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164081 376978435 /nfs/dbraw/zinc/97/84/35/376978435.db2.gz IDEXSBBIKMEHRC-QFBILLFUSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246164081 376978439 /nfs/dbraw/zinc/97/84/39/376978439.db2.gz IDEXSBBIKMEHRC-QFBILLFUSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246164081 376978443 /nfs/dbraw/zinc/97/84/43/376978443.db2.gz IDEXSBBIKMEHRC-QFBILLFUSA-N 1 3 284.447 3.482 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)[C@H](C)C2 ZINC000246034300 376957179 /nfs/dbraw/zinc/95/71/79/376957179.db2.gz WIORRIUXJWBBHJ-SPYBWZPUSA-N 1 3 284.447 3.302 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)[C@H](C)C2 ZINC000246034300 376957183 /nfs/dbraw/zinc/95/71/83/376957183.db2.gz WIORRIUXJWBBHJ-SPYBWZPUSA-N 1 3 284.447 3.302 20 0 CGADHO C[C@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000558255477 376991263 /nfs/dbraw/zinc/99/12/63/376991263.db2.gz HEBQGBHCWXNVFF-UKMLZYKCSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000558255477 376991267 /nfs/dbraw/zinc/99/12/67/376991267.db2.gz HEBQGBHCWXNVFF-UKMLZYKCSA-N 1 3 294.389 3.283 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CC)C2)C12CCCCC2 ZINC000246722017 377077217 /nfs/dbraw/zinc/07/72/17/377077217.db2.gz DDNDWAZHZHFTNK-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246846639 377101615 /nfs/dbraw/zinc/10/16/15/377101615.db2.gz VKZNZLYAZJPMSV-HZPDHXFCSA-N 1 3 250.430 3.053 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1cccc(OC)c1 ZINC000340679639 377210933 /nfs/dbraw/zinc/21/09/33/377210933.db2.gz DCMHBXBQAXAYQB-UHFFFAOYSA-N 1 3 276.424 3.003 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1cccc(OC)c1 ZINC000340679639 377210934 /nfs/dbraw/zinc/21/09/34/377210934.db2.gz DCMHBXBQAXAYQB-UHFFFAOYSA-N 1 3 276.424 3.003 20 0 CGADHO CC(CN(C)[C@@H](C)C1CC1)C[N@H+](C)[C@@H](C)C1CC1 ZINC000561564951 377232397 /nfs/dbraw/zinc/23/23/97/377232397.db2.gz KTBIXZLXDDRXEK-KBPBESRZSA-N 1 3 252.446 3.083 20 0 CGADHO CC(CN(C)[C@@H](C)C1CC1)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000561564951 377232405 /nfs/dbraw/zinc/23/24/05/377232405.db2.gz KTBIXZLXDDRXEK-KBPBESRZSA-N 1 3 252.446 3.083 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000248429242 377316692 /nfs/dbraw/zinc/31/66/92/377316692.db2.gz SXOZWWHRHMGNCC-BRWVUGGUSA-N 1 3 264.457 3.300 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586714 542160247 /nfs/dbraw/zinc/16/02/47/542160247.db2.gz ZYNUPYYLVXSLRX-QRVBRYPASA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586714 542160251 /nfs/dbraw/zinc/16/02/51/542160251.db2.gz ZYNUPYYLVXSLRX-QRVBRYPASA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586714 542160253 /nfs/dbraw/zinc/16/02/53/542160253.db2.gz ZYNUPYYLVXSLRX-QRVBRYPASA-N 1 3 284.447 3.224 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1(C)C ZINC000248882794 377420986 /nfs/dbraw/zinc/42/09/86/377420986.db2.gz RUVYYEIOXUDINA-IXDOHACOSA-N 1 3 296.499 3.289 20 0 CGADHO CC(C)C(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C(C)C ZINC000248821856 377406358 /nfs/dbraw/zinc/40/63/58/377406358.db2.gz JKQXFZMETTXIMF-CABCVRRESA-N 1 3 252.446 3.131 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120569 377465083 /nfs/dbraw/zinc/46/50/83/377465083.db2.gz TYEUSVXVDMQPCM-YESZJQIVSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120569 377465085 /nfs/dbraw/zinc/46/50/85/377465085.db2.gz TYEUSVXVDMQPCM-YESZJQIVSA-N 1 3 264.457 3.252 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249146856 377469697 /nfs/dbraw/zinc/46/96/97/377469697.db2.gz WZGPKHOLAGDISO-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000089146278 249027884 /nfs/dbraw/zinc/02/78/84/249027884.db2.gz SDWUTBCSZBTIPL-DJIMGWMZSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OC ZINC000037648805 249003046 /nfs/dbraw/zinc/00/30/46/249003046.db2.gz INMSNIOKZLJYLC-YOEHRIQHSA-N 1 3 288.435 3.220 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166642820 542174458 /nfs/dbraw/zinc/17/44/58/542174458.db2.gz IILZGNBXFZKFPM-QBPKDAKJSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166642820 542174461 /nfs/dbraw/zinc/17/44/61/542174461.db2.gz IILZGNBXFZKFPM-QBPKDAKJSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166642820 542174466 /nfs/dbraw/zinc/17/44/66/542174466.db2.gz IILZGNBXFZKFPM-QBPKDAKJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@]1(C)CN ZINC000312418002 249080618 /nfs/dbraw/zinc/08/06/18/249080618.db2.gz GSEKAFMRDFCJCH-RDTXWAMCSA-N 1 3 268.404 3.257 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@]1(C)CN ZINC000312418002 249080620 /nfs/dbraw/zinc/08/06/20/249080620.db2.gz GSEKAFMRDFCJCH-RDTXWAMCSA-N 1 3 268.404 3.257 20 0 CGADHO CCc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166644390 542175079 /nfs/dbraw/zinc/17/50/79/542175079.db2.gz ZUOBAUDDJLZMNX-QZTJIDSGSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166644390 542175084 /nfs/dbraw/zinc/17/50/84/542175084.db2.gz ZUOBAUDDJLZMNX-QZTJIDSGSA-N 1 3 272.436 3.008 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000168810841 542178075 /nfs/dbraw/zinc/17/80/75/542178075.db2.gz IJPCUIGYGCPTPV-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO C[NH2+]CCSCc1cccc(CN2CCCCC2)c1 ZINC000514936868 249194926 /nfs/dbraw/zinc/19/49/26/249194926.db2.gz UQSDWKLICLJVOK-UHFFFAOYSA-N 1 3 278.465 3.125 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@@H](C)[C@@H]2CCCNC2)c(C)c1 ZINC000515413117 249210923 /nfs/dbraw/zinc/21/09/23/249210923.db2.gz IIYDFYXEINVQRD-DLBZAZTESA-N 1 3 274.452 3.132 20 0 CGADHO Cc1cc(C)c(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000515413117 249210924 /nfs/dbraw/zinc/21/09/24/249210924.db2.gz IIYDFYXEINVQRD-DLBZAZTESA-N 1 3 274.452 3.132 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000516123244 249226122 /nfs/dbraw/zinc/22/61/22/249226122.db2.gz PUNPVJYWCNIHDL-LSDHHAIUSA-N 1 3 298.833 3.484 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@H](NCCc2ccc(F)cc2Cl)C1 ZINC000516123244 249226123 /nfs/dbraw/zinc/22/61/23/249226123.db2.gz PUNPVJYWCNIHDL-LSDHHAIUSA-N 1 3 298.833 3.484 20 0 CGADHO CCC1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000251650563 377593686 /nfs/dbraw/zinc/59/36/86/377593686.db2.gz NJJKBNRWZKDJIR-GQGLESIBSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574066891 377613304 /nfs/dbraw/zinc/61/33/04/377613304.db2.gz XAEQCCXYTFCUGC-HOCLYGCPSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574066891 377613315 /nfs/dbraw/zinc/61/33/15/377613315.db2.gz XAEQCCXYTFCUGC-HOCLYGCPSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](OCCC[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000574170179 377630874 /nfs/dbraw/zinc/63/08/74/377630874.db2.gz LGRHOBOOLKOXRW-USXIJHARSA-N 1 3 276.424 3.014 20 0 CGADHO CCC1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252674040 377649565 /nfs/dbraw/zinc/64/95/65/377649565.db2.gz OAKPDLWGHCTBLU-CKUJCDMFSA-N 1 3 250.430 3.172 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000574801749 377710369 /nfs/dbraw/zinc/71/03/69/377710369.db2.gz MAKWLLUYFRCGLG-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO CCC[N@H+]1CC[C@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000574801749 377710377 /nfs/dbraw/zinc/71/03/77/377710377.db2.gz MAKWLLUYFRCGLG-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000574801749 377710388 /nfs/dbraw/zinc/71/03/88/377710388.db2.gz MAKWLLUYFRCGLG-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000261694428 377839885 /nfs/dbraw/zinc/83/98/85/377839885.db2.gz HZJVFLYLCDUDFH-GRDNDAEWSA-N 1 3 276.424 3.122 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000261550189 377816537 /nfs/dbraw/zinc/81/65/37/377816537.db2.gz MMAWXPZCQATARJ-RRFJBIMHSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261929389 377869959 /nfs/dbraw/zinc/86/99/59/377869959.db2.gz LHQPXEXBVLFUOC-AJSFGMTHSA-N 1 3 276.399 3.144 20 0 CGADHO C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000261941762 377871523 /nfs/dbraw/zinc/87/15/23/377871523.db2.gz DTEVYZFTAWYMLH-BPQIPLTHSA-N 1 3 272.436 3.112 20 0 CGADHO CCCN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000261976400 377874277 /nfs/dbraw/zinc/87/42/77/377874277.db2.gz ITDJPHTUPZPCRA-MOPGFXCFSA-N 1 3 286.463 3.256 20 0 CGADHO CCc1cccc(Cl)c1CN1CCC(C[NH2+]C)CC1 ZINC000262039318 377882942 /nfs/dbraw/zinc/88/29/42/377882942.db2.gz YCFYZUIJNUNHSK-UHFFFAOYSA-N 1 3 280.843 3.334 20 0 CGADHO [NH3+][C@@H]1CN([C@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000261848983 377861288 /nfs/dbraw/zinc/86/12/88/377861288.db2.gz VBSAJMCTHJPJML-ZCNNSNEGSA-N 1 3 292.426 3.491 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422847307 295255707 /nfs/dbraw/zinc/25/57/07/295255707.db2.gz IASZVNQHKROYCF-XQHKEYJVSA-N 1 3 278.362 3.072 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890327 378021687 /nfs/dbraw/zinc/02/16/87/378021687.db2.gz CCLXFLBFRHOMQR-IKGGRYGDSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890327 378021690 /nfs/dbraw/zinc/02/16/90/378021690.db2.gz CCLXFLBFRHOMQR-IKGGRYGDSA-N 1 3 294.483 3.140 20 0 CGADHO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944461 378115660 /nfs/dbraw/zinc/11/56/60/378115660.db2.gz CSQPQOXAJMRQFC-KGLIPLIRSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944461 378115666 /nfs/dbraw/zinc/11/56/66/378115666.db2.gz CSQPQOXAJMRQFC-KGLIPLIRSA-N 1 3 281.403 3.002 20 0 CGADHO C[C@@H](CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353654 378152647 /nfs/dbraw/zinc/15/26/47/378152647.db2.gz GUCFIQQEAYZMCM-WMLDXEAASA-N 1 3 276.399 3.005 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353654 378152652 /nfs/dbraw/zinc/15/26/52/378152652.db2.gz GUCFIQQEAYZMCM-WMLDXEAASA-N 1 3 276.399 3.005 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353654 378152655 /nfs/dbraw/zinc/15/26/55/378152655.db2.gz GUCFIQQEAYZMCM-WMLDXEAASA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)COC2 ZINC000269079159 378186004 /nfs/dbraw/zinc/18/60/04/378186004.db2.gz NZZMJSFRZVIYOE-MORSLUCNSA-N 1 3 288.435 3.240 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000579714620 378187240 /nfs/dbraw/zinc/18/72/40/378187240.db2.gz HUCUXZYKMSFHSN-KKOFPSKJSA-N 1 3 287.451 3.326 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC12CC2)CN1CCCCC1 ZINC000579735159 378189544 /nfs/dbraw/zinc/18/95/44/378189544.db2.gz VGZLADVHWZXYGD-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO Cc1ccc2c(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000269997288 378292575 /nfs/dbraw/zinc/29/25/75/378292575.db2.gz WYPGTBQTHLZNQY-DLBZAZTESA-N 1 3 297.446 3.235 20 0 CGADHO Cc1ccc2c(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000269997288 378292582 /nfs/dbraw/zinc/29/25/82/378292582.db2.gz WYPGTBQTHLZNQY-DLBZAZTESA-N 1 3 297.446 3.235 20 0 CGADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000582387712 378309470 /nfs/dbraw/zinc/30/94/70/378309470.db2.gz IYZUZGFHDRIIAF-QAPCUYQASA-N 1 3 290.451 3.247 20 0 CGADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000582387712 378309476 /nfs/dbraw/zinc/30/94/76/378309476.db2.gz IYZUZGFHDRIIAF-QAPCUYQASA-N 1 3 290.451 3.247 20 0 CGADHO Cc1occc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000584040370 378368278 /nfs/dbraw/zinc/36/82/78/378368278.db2.gz MGOXMPIVNDRSQW-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1occc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000584040370 378368281 /nfs/dbraw/zinc/36/82/81/378368281.db2.gz MGOXMPIVNDRSQW-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO C[N@H+]1CC=C(CN[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271877901 378509381 /nfs/dbraw/zinc/50/93/81/378509381.db2.gz OMYMHVBBGWTGOB-KRWDZBQOSA-N 1 3 298.430 3.284 20 0 CGADHO C[N@@H+]1CC=C(CN[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271877901 378509388 /nfs/dbraw/zinc/50/93/88/378509388.db2.gz OMYMHVBBGWTGOB-KRWDZBQOSA-N 1 3 298.430 3.284 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000346450458 378582625 /nfs/dbraw/zinc/58/26/25/378582625.db2.gz VXACCVSCDSQEEF-INIZCTEOSA-N 1 3 260.425 3.417 20 0 CGADHO C[C@@H]([NH2+]Cc1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272241267 378592553 /nfs/dbraw/zinc/59/25/53/378592553.db2.gz WOVBHQFRFZPWBC-APWZRJJASA-N 1 3 295.430 3.082 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000346491416 378593909 /nfs/dbraw/zinc/59/39/09/378593909.db2.gz OEDZATCPGVDTKB-MAUKXSAKSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000346491416 378593912 /nfs/dbraw/zinc/59/39/12/378593912.db2.gz OEDZATCPGVDTKB-MAUKXSAKSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000346505283 378598851 /nfs/dbraw/zinc/59/88/51/378598851.db2.gz XRPYMOINOFTTED-OAGGEKHMSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cc2cc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)oc2cc1C ZINC000346652561 378663242 /nfs/dbraw/zinc/66/32/42/378663242.db2.gz HKUOYGAXRMMAJB-ZIAGYGMSSA-N 1 3 272.392 3.219 20 0 CGADHO C(C[C@H]1CCO1)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022651 378673486 /nfs/dbraw/zinc/67/34/86/378673486.db2.gz KFGQNLTUXRNLOE-ROUUACIJSA-N 1 3 294.483 3.144 20 0 CGADHO CCc1ccc([C@@H](C)NCC2(C)CC[NH+](C)CC2)o1 ZINC000272594190 378673861 /nfs/dbraw/zinc/67/38/61/378673861.db2.gz SLCKPGVWPJTQOQ-CYBMUJFWSA-N 1 3 264.413 3.225 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000638074920 378687431 /nfs/dbraw/zinc/68/74/31/378687431.db2.gz BSZIAKFRUKREPO-CQSZACIVSA-N 1 3 286.394 3.362 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000638074920 378687436 /nfs/dbraw/zinc/68/74/36/378687436.db2.gz BSZIAKFRUKREPO-CQSZACIVSA-N 1 3 286.394 3.362 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346848497 378694697 /nfs/dbraw/zinc/69/46/97/378694697.db2.gz DVNYGEJDBYVRJA-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC[C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346848497 378694699 /nfs/dbraw/zinc/69/46/99/378694699.db2.gz DVNYGEJDBYVRJA-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638381885 378786492 /nfs/dbraw/zinc/78/64/92/378786492.db2.gz PSAMRQOGNSFZIB-KBAYOESNSA-N 1 3 272.436 3.112 20 0 CGADHO CCCCOc1ccccc1CNCC1=CC[N@H+](C)CC1 ZINC000274286852 378804092 /nfs/dbraw/zinc/80/40/92/378804092.db2.gz JFBXDXQWTPETRB-UHFFFAOYSA-N 1 3 288.435 3.217 20 0 CGADHO CCCCOc1ccccc1CNCC1=CC[N@@H+](C)CC1 ZINC000274286852 378804098 /nfs/dbraw/zinc/80/40/98/378804098.db2.gz JFBXDXQWTPETRB-UHFFFAOYSA-N 1 3 288.435 3.217 20 0 CGADHO Cc1cc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)oc2cc1C ZINC000346827936 218026642 /nfs/dbraw/zinc/02/66/42/218026642.db2.gz MXXANCRAONFCQA-RRQGHBQHSA-N 1 3 284.403 3.219 20 0 CGADHO Fc1cccc(Cl)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000278479992 194003279 /nfs/dbraw/zinc/00/32/79/194003279.db2.gz JBUHPDRYZJTLRR-UHFFFAOYSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299939 378893753 /nfs/dbraw/zinc/89/37/53/378893753.db2.gz HEBQGBHCWXNVFF-DMRZNYOFSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299939 378893761 /nfs/dbraw/zinc/89/37/61/378893761.db2.gz HEBQGBHCWXNVFF-DMRZNYOFSA-N 1 3 294.389 3.283 20 0 CGADHO C[NH+](C)CC1CCC(NCc2nc3ccccc3o2)CC1 ZINC000638776984 378909145 /nfs/dbraw/zinc/90/91/45/378909145.db2.gz AMOKJGGXQDFYSV-UHFFFAOYSA-N 1 3 287.407 3.038 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000638788691 378912322 /nfs/dbraw/zinc/91/23/22/378912322.db2.gz PXXKLRXRJFEAPM-MRXNPFEDSA-N 1 3 284.513 3.087 20 0 CGADHO CC[C@](C)(C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)OC ZINC000638973220 378963599 /nfs/dbraw/zinc/96/35/99/378963599.db2.gz YOTNSPPOASZQRF-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638973220 378963603 /nfs/dbraw/zinc/96/36/03/378963603.db2.gz YOTNSPPOASZQRF-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973220 378963607 /nfs/dbraw/zinc/96/36/07/378963607.db2.gz YOTNSPPOASZQRF-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[N@H+](C/C=C\c1ccccc1OC)C1CCNCC1 ZINC000347085933 218117354 /nfs/dbraw/zinc/11/73/54/218117354.db2.gz BHMPUSKAMYWRGM-VURMDHGXSA-N 1 3 288.435 3.172 20 0 CGADHO CCC[N@@H+](C/C=C\c1ccccc1OC)C1CCNCC1 ZINC000347085933 218117356 /nfs/dbraw/zinc/11/73/56/218117356.db2.gz BHMPUSKAMYWRGM-VURMDHGXSA-N 1 3 288.435 3.172 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000347065417 218110246 /nfs/dbraw/zinc/11/02/46/218110246.db2.gz LBFGHNYBXPZLQQ-UHFFFAOYSA-N 1 3 295.496 3.163 20 0 CGADHO COCCC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000370654123 379045511 /nfs/dbraw/zinc/04/55/11/379045511.db2.gz WUKLCWZGRXFKDL-MRXNPFEDSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@H](CCc1ccco1)NC1CC([NH+]2CCCCC2)C1 ZINC000373466059 379282495 /nfs/dbraw/zinc/28/24/95/379282495.db2.gz NEUVZLWPYOMYNZ-QQFBHYJXSA-N 1 3 276.424 3.207 20 0 CGADHO CC1([NH+]2CCCC2)CCN(CC2CCSCC2)CC1 ZINC000639374087 379329395 /nfs/dbraw/zinc/32/93/95/379329395.db2.gz ACTABGFOFFZGEM-UHFFFAOYSA-N 1 3 282.497 3.080 20 0 CGADHO CCC(C)(C)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000639380080 379339419 /nfs/dbraw/zinc/33/94/19/379339419.db2.gz CTQHKJLGZNCQNV-UHFFFAOYSA-N 1 3 275.440 3.466 20 0 CGADHO C[C@H](CC[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000278465712 379396932 /nfs/dbraw/zinc/39/69/32/379396932.db2.gz GFXYPUWWVDAXAF-OAHLLOKOSA-N 1 3 258.409 3.032 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2NCCC[NH+](C)C ZINC000349833003 379410894 /nfs/dbraw/zinc/41/08/94/379410894.db2.gz XPPVUGGNDLOFGK-INIZCTEOSA-N 1 3 260.425 3.222 20 0 CGADHO C[C@H](c1ccccc1F)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681672 379545704 /nfs/dbraw/zinc/54/57/04/379545704.db2.gz AIGCRETVTUDYFR-OAHLLOKOSA-N 1 3 299.393 3.494 20 0 CGADHO C[NH+]1CCC2(CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000376668862 379591377 /nfs/dbraw/zinc/59/13/77/379591377.db2.gz AMUKNVSFUHSIHZ-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000377222445 379646650 /nfs/dbraw/zinc/64/66/50/379646650.db2.gz HIFRKRPWMWLNOY-DZOHQFGASA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000377222445 379646657 /nfs/dbraw/zinc/64/66/57/379646657.db2.gz HIFRKRPWMWLNOY-DZOHQFGASA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cc(C[NH2+]C2CC(N3CCCCC3)C2)cc(C)c1O ZINC000377634619 379711485 /nfs/dbraw/zinc/71/14/85/379711485.db2.gz XVHPLOMPTCYHGJ-UHFFFAOYSA-N 1 3 288.435 3.116 20 0 CGADHO C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1(C2CC2)CCC1 ZINC000391505317 379908765 /nfs/dbraw/zinc/90/87/65/379908765.db2.gz JTQDYZXSCJIBHC-ZACQAIPSSA-N 1 3 276.468 3.467 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000392233472 379910001 /nfs/dbraw/zinc/91/00/01/379910001.db2.gz CHGOYMCYCJFYOP-UHFFFAOYSA-N 1 3 252.446 3.299 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1(C2CC2)CCC1 ZINC000391505305 379908076 /nfs/dbraw/zinc/90/80/76/379908076.db2.gz JTQDYZXSCJIBHC-BBWFWOEESA-N 1 3 276.468 3.467 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCN2CCC[C@@H]2C1)CC(F)(F)F ZINC000402536633 379967815 /nfs/dbraw/zinc/96/78/15/379967815.db2.gz YHXOSPPTYWPIRC-RWMBFGLXSA-N 1 3 278.362 3.181 20 0 CGADHO C[C@H]1c2ccc(F)cc2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000643058159 380211057 /nfs/dbraw/zinc/21/10/57/380211057.db2.gz JCEIRMGXLVFBRQ-UONOGXRCSA-N 1 3 276.399 3.135 20 0 CGADHO c1csc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000643477664 380317715 /nfs/dbraw/zinc/31/77/15/380317715.db2.gz ISCZMBVPRIYEFI-ARFHVFGLSA-N 1 3 278.465 3.191 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](N)C1CC1 ZINC000643516641 380335455 /nfs/dbraw/zinc/33/54/55/380335455.db2.gz DKHQCZUUUFOWSP-NVXWUHKLSA-N 1 3 283.419 3.181 20 0 CGADHO COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000643457444 380310553 /nfs/dbraw/zinc/31/05/53/380310553.db2.gz CKMLJJQGAWKWML-GDBMZVCRSA-N 1 3 290.451 3.080 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463538 380312257 /nfs/dbraw/zinc/31/22/57/380312257.db2.gz CFCBXGVVTQCQSK-WBVHZDCISA-N 1 3 274.452 3.332 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1cccc(Br)c1 ZINC000643469269 380315484 /nfs/dbraw/zinc/31/54/84/380315484.db2.gz FSTJYJTUTYBJTH-RYUDHWBXSA-N 1 3 299.256 3.097 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCCc1cccc(Br)c1 ZINC000643469269 380315492 /nfs/dbraw/zinc/31/54/92/380315492.db2.gz FSTJYJTUTYBJTH-RYUDHWBXSA-N 1 3 299.256 3.097 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548976 380367247 /nfs/dbraw/zinc/36/72/47/380367247.db2.gz YIYYTMPVUPMXIR-WBVHZDCISA-N 1 3 287.451 3.057 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCCN ZINC000414707500 380382181 /nfs/dbraw/zinc/38/21/81/380382181.db2.gz ODUJRJUVOVCPFN-RYUDHWBXSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCN ZINC000414707500 380382185 /nfs/dbraw/zinc/38/21/85/380382185.db2.gz ODUJRJUVOVCPFN-RYUDHWBXSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCC[NH3+] ZINC000414707500 380382187 /nfs/dbraw/zinc/38/21/87/380382187.db2.gz ODUJRJUVOVCPFN-RYUDHWBXSA-N 1 3 254.805 3.113 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000643522449 380339520 /nfs/dbraw/zinc/33/95/20/380339520.db2.gz NFVPYJFOCYZWGS-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526099 380340987 /nfs/dbraw/zinc/34/09/87/380340987.db2.gz PDUZYDMVSNLZSF-UONOGXRCSA-N 1 3 264.413 3.109 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000643526684 380342311 /nfs/dbraw/zinc/34/23/11/380342311.db2.gz DRZWMJMQJSCSRL-CXAGYDPISA-N 1 3 272.367 3.046 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H](N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000414768493 380397352 /nfs/dbraw/zinc/39/73/52/380397352.db2.gz VAPPQUXJLDEGAI-QYZOEREBSA-N 1 3 284.447 3.182 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000643537117 380354120 /nfs/dbraw/zinc/35/41/20/380354120.db2.gz ZLSSSVMVWUBQFH-UKRRQHHQSA-N 1 3 274.408 3.025 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CNCCCO1)c1cccc2ccccc21 ZINC000643542404 380357576 /nfs/dbraw/zinc/35/75/76/380357576.db2.gz MCHWJNYJLAYVQA-APWZRJJASA-N 1 3 298.430 3.259 20 0 CGADHO Cc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414663075 380358794 /nfs/dbraw/zinc/35/87/94/380358794.db2.gz AQUCTLICEVOKOG-GZBFAFLISA-N 1 3 298.352 3.183 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)s1 ZINC000643546299 380360105 /nfs/dbraw/zinc/36/01/05/380360105.db2.gz MAGJGELSLFDYIT-OLZOCXBDSA-N 1 3 264.438 3.382 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(OC)cc1 ZINC000643547070 380361734 /nfs/dbraw/zinc/36/17/34/380361734.db2.gz ZGRWQMIEVDQBBE-RDJZCZTQSA-N 1 3 288.435 3.411 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547162 380362055 /nfs/dbraw/zinc/36/20/55/380362055.db2.gz AJXYMHWOFPMAIF-FZKCQIBNSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643547987 380363119 /nfs/dbraw/zinc/36/31/19/380363119.db2.gz LLZAESTUGFOWDV-QPSCCSFWSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccsc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414812119 380424693 /nfs/dbraw/zinc/42/46/93/380424693.db2.gz QWLNRWJJGXWABU-LBPRGKRZSA-N 1 3 260.406 3.366 20 0 CGADHO Fc1cccc(Cl)c1CCC[NH2+]C[C@H]1CCCNC1 ZINC000414856155 380456989 /nfs/dbraw/zinc/45/69/89/380456989.db2.gz NZNUUYOXNXRAMW-LBPRGKRZSA-N 1 3 284.806 3.001 20 0 CGADHO Fc1cccc(Cl)c1CCCNC[C@H]1CCC[NH2+]C1 ZINC000414856155 380456993 /nfs/dbraw/zinc/45/69/93/380456993.db2.gz NZNUUYOXNXRAMW-LBPRGKRZSA-N 1 3 284.806 3.001 20 0 CGADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(F)cc2)cc1 ZINC000414813955 380425874 /nfs/dbraw/zinc/42/58/74/380425874.db2.gz UWCASIPIJNTQHQ-LBPRGKRZSA-N 1 3 258.340 3.135 20 0 CGADHO CSc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414814615 380426676 /nfs/dbraw/zinc/42/66/76/380426676.db2.gz ZKTPRIQUXIBSDP-UKRRQHHQSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414818481 380429855 /nfs/dbraw/zinc/42/98/55/380429855.db2.gz FDWIHVHAAMTTJV-NJZAAPMLSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414818481 380429860 /nfs/dbraw/zinc/42/98/60/380429860.db2.gz FDWIHVHAAMTTJV-NJZAAPMLSA-N 1 3 266.816 3.303 20 0 CGADHO COc1ccc(C2CCC([NH2+]C[C@@H]3CCCN3)CC2)cc1 ZINC000414822627 380431665 /nfs/dbraw/zinc/43/16/65/380431665.db2.gz DZTVDEOOUZLDNJ-PREGVCBESA-N 1 3 288.435 3.063 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414823925 380433507 /nfs/dbraw/zinc/43/35/07/380433507.db2.gz FFPSNLFUNFIJCH-SZMVWBNQSA-N 1 3 272.436 3.220 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414824021 380434330 /nfs/dbraw/zinc/43/43/30/380434330.db2.gz FJLAWTNEZXQKSA-VQTPCSAVSA-N 1 3 270.420 3.195 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414824131 380434400 /nfs/dbraw/zinc/43/44/00/380434400.db2.gz QBKJMDZMAUUODD-GLQYFDAESA-N 1 3 266.816 3.303 20 0 CGADHO NC1(C[NH2+]CCSCc2ccccc2)CCCCC1 ZINC000414833865 380442653 /nfs/dbraw/zinc/44/26/53/380442653.db2.gz BHDIBBDIVTZJFM-UHFFFAOYSA-N 1 3 278.465 3.171 20 0 CGADHO [NH3+]C1(CNCCSCc2ccccc2)CCCCC1 ZINC000414833865 380442658 /nfs/dbraw/zinc/44/26/58/380442658.db2.gz BHDIBBDIVTZJFM-UHFFFAOYSA-N 1 3 278.465 3.171 20 0 CGADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000414839437 380446102 /nfs/dbraw/zinc/44/61/02/380446102.db2.gz XMGMENJLSYZVCU-WFFDWFOESA-N 1 3 272.436 3.299 20 0 CGADHO NC1(C[NH2+]Cc2ccc(C3CC3)cc2)CCCCC1 ZINC000414839793 380446407 /nfs/dbraw/zinc/44/64/07/380446407.db2.gz JMVACUUIRKTHLW-UHFFFAOYSA-N 1 3 258.409 3.315 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414843027 380449473 /nfs/dbraw/zinc/44/94/73/380449473.db2.gz PLIIHKMNKYTTKO-MAZHCROVSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414843027 380449477 /nfs/dbraw/zinc/44/94/77/380449477.db2.gz PLIIHKMNKYTTKO-MAZHCROVSA-N 1 3 280.843 3.421 20 0 CGADHO CC(C)c1ncc(C[NH2+][C@H](CN)C2CCCCC2)s1 ZINC000414851532 380454530 /nfs/dbraw/zinc/45/45/30/380454530.db2.gz PDJALOJPYIACPH-CQSZACIVSA-N 1 3 281.469 3.264 20 0 CGADHO Clc1sccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414782786 380402224 /nfs/dbraw/zinc/40/22/24/380402224.db2.gz OVPPUXPVKBYXTH-NWDGAFQWSA-N 1 3 284.856 3.223 20 0 CGADHO NC[C@@H]1C[N@H+](CCCC2CCCCC2)CC12CCOCC2 ZINC000414782249 380403153 /nfs/dbraw/zinc/40/31/53/380403153.db2.gz OCMUGUBRTISDGU-QGZVFWFLSA-N 1 3 294.483 3.034 20 0 CGADHO NC[C@@H]1C[N@@H+](CCCC2CCCCC2)CC12CCOCC2 ZINC000414782249 380403156 /nfs/dbraw/zinc/40/31/56/380403156.db2.gz OCMUGUBRTISDGU-QGZVFWFLSA-N 1 3 294.483 3.034 20 0 CGADHO NC[C@H]1C[N@H+](CCCC2CCCCC2)CC12CCOCC2 ZINC000414782248 380403609 /nfs/dbraw/zinc/40/36/09/380403609.db2.gz OCMUGUBRTISDGU-KRWDZBQOSA-N 1 3 294.483 3.034 20 0 CGADHO NC[C@H]1C[N@@H+](CCCC2CCCCC2)CC12CCOCC2 ZINC000414782248 380403612 /nfs/dbraw/zinc/40/36/12/380403612.db2.gz OCMUGUBRTISDGU-KRWDZBQOSA-N 1 3 294.483 3.034 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414795300 380409209 /nfs/dbraw/zinc/40/92/09/380409209.db2.gz GMOYHBKLXVDJHQ-UKPHBRMFSA-N 1 3 278.415 3.254 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@H]2NC[C@@H]2CCC[NH2+]2)cc1 ZINC000414854481 380456304 /nfs/dbraw/zinc/45/63/04/380456304.db2.gz ZLOFWOFUGSGAIC-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCN2)cc1 ZINC000414854481 380456313 /nfs/dbraw/zinc/45/63/13/380456313.db2.gz ZLOFWOFUGSGAIC-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000414804473 380416175 /nfs/dbraw/zinc/41/61/75/380416175.db2.gz FENSPDGWYRNBBV-CQSZACIVSA-N 1 3 283.419 3.062 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc(F)c2)cc1 ZINC000414806241 380418628 /nfs/dbraw/zinc/41/86/28/380418628.db2.gz HMIZGSBXEYPYGQ-GFCCVEGCSA-N 1 3 258.340 3.135 20 0 CGADHO CC(C)COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414933416 380494995 /nfs/dbraw/zinc/49/49/95/380494995.db2.gz WWDCXBXGEQBUBO-JKSUJKDBSA-N 1 3 276.424 3.081 20 0 CGADHO C[C@H](C[NH2+]C1(C)CCNCC1)CC1CCCCC1 ZINC000414939850 380497793 /nfs/dbraw/zinc/49/77/93/380497793.db2.gz JXHPGBORPGNDNK-AWEZNQCLSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414948796 380501914 /nfs/dbraw/zinc/50/19/14/380501914.db2.gz MNTFBDJLXLCMMM-ZMSDIMECSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414948796 380501921 /nfs/dbraw/zinc/50/19/21/380501921.db2.gz MNTFBDJLXLCMMM-ZMSDIMECSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1 ZINC000415053649 380507284 /nfs/dbraw/zinc/50/72/84/380507284.db2.gz OYLVLOSCFWNXGE-FUHWJXTLSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)cc1 ZINC000414861273 380461146 /nfs/dbraw/zinc/46/11/46/380461146.db2.gz WJKBJXWKKNBMML-JZXOWHBKSA-N 1 3 274.452 3.294 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414864517 380462950 /nfs/dbraw/zinc/46/29/50/380462950.db2.gz YQTZWHPDOGSFRL-XOKHGSTOSA-N 1 3 276.399 3.051 20 0 CGADHO Cc1ccc(COc2ccc(CN[C@H](C)CC[NH3+])cc2)cc1 ZINC000414889239 380476618 /nfs/dbraw/zinc/47/66/18/380476618.db2.gz GCSWJJSUOARWSI-MRXNPFEDSA-N 1 3 298.430 3.401 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC34CC4)CC2)C1 ZINC000417342241 380599397 /nfs/dbraw/zinc/59/93/97/380599397.db2.gz CMRVFOGKDLBKRD-BFYDXBDKSA-N 1 3 276.468 3.419 20 0 CGADHO Cc1ncc([C@H](C)NCCCCC[NH+]2CCCC2)s1 ZINC000645493832 380691440 /nfs/dbraw/zinc/69/14/40/380691440.db2.gz FTVAXMGQJNJSTC-ZDUSSCGKSA-N 1 3 281.469 3.368 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000418065610 380698894 /nfs/dbraw/zinc/69/88/94/380698894.db2.gz KDNOSOUVKJZLKM-AABGKKOBSA-N 1 3 298.474 3.454 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000418065610 380698900 /nfs/dbraw/zinc/69/89/00/380698900.db2.gz KDNOSOUVKJZLKM-AABGKKOBSA-N 1 3 298.474 3.454 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421323636 380874274 /nfs/dbraw/zinc/87/42/74/380874274.db2.gz ITCNHUHAENRGDI-OAHLLOKOSA-N 1 3 264.457 3.421 20 0 CGADHO CC(C)(C[NH2+]Cc1cccc2cc[nH]c21)CN1CCCC1 ZINC000360166988 381465327 /nfs/dbraw/zinc/46/53/27/381465327.db2.gz UENIWTFPKLZPJI-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000360275451 381503473 /nfs/dbraw/zinc/50/34/73/381503473.db2.gz RHWMKJQAECRZTE-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO CC1([NH2+]Cc2cc(Cl)cc3cccnc32)CCNCC1 ZINC000334842709 207170865 /nfs/dbraw/zinc/17/08/65/207170865.db2.gz NLZFQTPKRMTVGR-UHFFFAOYSA-N 1 3 289.810 3.120 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000364318177 382269247 /nfs/dbraw/zinc/26/92/47/382269247.db2.gz ZBFBZENPIBSRSZ-LUKYLMHMSA-N 1 3 262.441 3.195 20 0 CGADHO CC[C@@H]1CN(CC[C@@H](C)c2ccccc2)CC[C@H]1[NH3+] ZINC000251637308 542347191 /nfs/dbraw/zinc/34/71/91/542347191.db2.gz FTSIQFUDINWYRH-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H](C)c2ccccc2)CC[C@H]1N ZINC000251637308 542347195 /nfs/dbraw/zinc/34/71/95/542347195.db2.gz FTSIQFUDINWYRH-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)CC[C@H]1N ZINC000251637308 542347198 /nfs/dbraw/zinc/34/71/98/542347198.db2.gz FTSIQFUDINWYRH-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1CN(Cc2c(C)oc3ccccc32)CC[C@H]1[NH3+] ZINC000251749253 542347805 /nfs/dbraw/zinc/34/78/05/542347805.db2.gz LGZRFDDFMKETSM-CZUORRHYSA-N 1 3 272.392 3.300 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2Cc3ccccc32)c2ccccc21 ZINC000252793399 542350993 /nfs/dbraw/zinc/35/09/93/542350993.db2.gz XCWSSBMZUFMOAI-FSPWUOQZSA-N 1 3 264.372 3.061 20 0 CGADHO c1ccc(CCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252703238 542351161 /nfs/dbraw/zinc/35/11/61/542351161.db2.gz MBDZQJDRLZVXAV-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO c1ccc(CCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252703238 542351163 /nfs/dbraw/zinc/35/11/63/542351163.db2.gz MBDZQJDRLZVXAV-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO c1ccc(CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)cc1 ZINC000252703238 542351166 /nfs/dbraw/zinc/35/11/66/542351166.db2.gz MBDZQJDRLZVXAV-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO CC[N@H+](C)Cc1cccc(CNCc2cnccc2C)c1 ZINC000280950468 195042899 /nfs/dbraw/zinc/04/28/99/195042899.db2.gz ROBPQPAPZAZWBD-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CNCc2cnccc2C)c1 ZINC000280950468 195042900 /nfs/dbraw/zinc/04/29/00/195042900.db2.gz ROBPQPAPZAZWBD-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(C(C)(C)C)CC1 ZINC000179441582 260049176 /nfs/dbraw/zinc/04/91/76/260049176.db2.gz NDDQQNPBLXVSFE-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC(C(C)(C)C)CC1 ZINC000179441582 260049177 /nfs/dbraw/zinc/04/91/77/260049177.db2.gz NDDQQNPBLXVSFE-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000281514681 195271921 /nfs/dbraw/zinc/27/19/21/195271921.db2.gz HJNNNGSDVDYCSI-ROUUACIJSA-N 1 3 299.462 3.268 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)c(F)c1 ZINC000096543581 533351617 /nfs/dbraw/zinc/35/16/17/533351617.db2.gz VZBLAPFAPZOIFR-LLVKDONJSA-N 1 3 270.367 3.203 20 0 CGADHO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423339592 533438627 /nfs/dbraw/zinc/43/86/27/533438627.db2.gz VKXLIEOHTGYZRG-MLGOLLRUSA-N 1 3 278.465 3.277 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1cc2c(s1)CCC2 ZINC000423339592 533438632 /nfs/dbraw/zinc/43/86/32/533438632.db2.gz VKXLIEOHTGYZRG-MLGOLLRUSA-N 1 3 278.465 3.277 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@H](C)c1ccc(Cl)cc1 ZINC000423400809 533546955 /nfs/dbraw/zinc/54/69/55/533546955.db2.gz QJEWENZAWNDINV-IATRGZMQSA-N 1 3 280.843 3.420 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000190204800 130073847 /nfs/dbraw/zinc/07/38/47/130073847.db2.gz RSTVFGUVDGYKBI-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000190204800 130073848 /nfs/dbraw/zinc/07/38/48/130073848.db2.gz RSTVFGUVDGYKBI-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO C[C@H]1CCN(CCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699002 542638133 /nfs/dbraw/zinc/63/81/33/542638133.db2.gz DROVBBDCEUNSSH-FZMZJTMJSA-N 1 3 286.341 3.437 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000414907146 542639325 /nfs/dbraw/zinc/63/93/25/542639325.db2.gz ALJZRWDHMUFKHB-MNOVXSKESA-N 1 3 290.304 3.204 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000414916523 542639338 /nfs/dbraw/zinc/63/93/38/542639338.db2.gz OSXTYDNJLBMLNU-BDXSIMOUSA-N 1 3 272.436 3.356 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000414928982 542641056 /nfs/dbraw/zinc/64/10/56/542641056.db2.gz QWIASLNXVIDHNU-SHWKFHJASA-N 1 3 252.446 3.451 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1cccc(CO)c1 ZINC000245637564 131087652 /nfs/dbraw/zinc/08/76/52/131087652.db2.gz WEWXKGWDNIKOLU-HZPDHXFCSA-N 1 3 290.451 3.094 20 0 CGADHO COc1ccc([C@H](C)[N@H+](C)CC[C@H]2CCCN2C)cc1 ZINC000245628692 131088066 /nfs/dbraw/zinc/08/80/66/131088066.db2.gz PMJDHARPNLZKLB-GOEBONIOSA-N 1 3 276.424 3.172 20 0 CGADHO COc1ccc([C@H](C)[N@@H+](C)CC[C@H]2CCCN2C)cc1 ZINC000245628692 131088067 /nfs/dbraw/zinc/08/80/67/131088067.db2.gz PMJDHARPNLZKLB-GOEBONIOSA-N 1 3 276.424 3.172 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250264985 131125388 /nfs/dbraw/zinc/12/53/88/131125388.db2.gz WNBXRQNCZRJPBD-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250264985 131125390 /nfs/dbraw/zinc/12/53/90/131125390.db2.gz WNBXRQNCZRJPBD-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655617 392383413 /nfs/dbraw/zinc/38/34/13/392383413.db2.gz NYBXWLDGYHALNW-DGCLKSJQSA-N 1 3 286.341 3.265 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000289150849 392415375 /nfs/dbraw/zinc/41/53/75/392415375.db2.gz GHEBPRFUTOBOMA-QWQRMKEZSA-N 1 3 270.420 3.309 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150849 392415380 /nfs/dbraw/zinc/41/53/80/392415380.db2.gz GHEBPRFUTOBOMA-QWQRMKEZSA-N 1 3 270.420 3.309 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130560210 392456002 /nfs/dbraw/zinc/45/60/02/392456002.db2.gz KJSXBCAFCRXKFJ-HLLBOEOZSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130560210 392456004 /nfs/dbraw/zinc/45/60/04/392456004.db2.gz KJSXBCAFCRXKFJ-HLLBOEOZSA-N 1 3 260.425 3.437 20 0 CGADHO c1ccc2c(c1)CCC([NH2+]CCCN1CCCC1)CC2 ZINC000453102146 285500008 /nfs/dbraw/zinc/50/00/08/285500008.db2.gz ZFSSGMIKZAGLOQ-UHFFFAOYSA-N 1 3 272.436 3.010 20 0 CGADHO C[C@H](Cc1ccccc1)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479669 392734656 /nfs/dbraw/zinc/73/46/56/392734656.db2.gz PCCXVVPGZIGKLL-BHIYHBOVSA-N 1 3 286.463 3.329 20 0 CGADHO C[C@@H](CCN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482580 392738002 /nfs/dbraw/zinc/73/80/02/392738002.db2.gz QULCDBWSEQJGOO-HNNXBMFYSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1CN(Cc2cc(C)c3ncccc3c2)CC[C@@H]1[NH3+] ZINC000647497309 392740794 /nfs/dbraw/zinc/74/07/94/392740794.db2.gz CKKFORRXLYIRHP-RDJZCZTQSA-N 1 3 283.419 3.102 20 0 CGADHO CC[C@H]1CN(CC(C)(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000647498460 392742460 /nfs/dbraw/zinc/74/24/60/392742460.db2.gz HSUGFXSZWYBZTD-GOEBONIOSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@H]1C[N@H+](CC(C)(C)c2ccccc2)CC[C@H]1N ZINC000647498460 392742462 /nfs/dbraw/zinc/74/24/62/392742462.db2.gz HSUGFXSZWYBZTD-GOEBONIOSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@H]1N ZINC000647498460 392742465 /nfs/dbraw/zinc/74/24/65/392742465.db2.gz HSUGFXSZWYBZTD-GOEBONIOSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1CN(CCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936893 392838081 /nfs/dbraw/zinc/83/80/81/392838081.db2.gz MXKUIWSIRWNHBH-CJNGLKHVSA-N 1 3 296.842 3.168 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CCCO2 ZINC000647803212 392805234 /nfs/dbraw/zinc/80/52/34/392805234.db2.gz MSEJZBBKZLHRJZ-SFHVURJKSA-N 1 3 296.414 3.457 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000647803340 392805338 /nfs/dbraw/zinc/80/53/38/392805338.db2.gz VOJXIYWOMATBBY-QGZVFWFLSA-N 1 3 288.341 3.201 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCSC2CCCCC2)CC1 ZINC000375693336 392805537 /nfs/dbraw/zinc/80/55/37/392805537.db2.gz PMMCEXLLUOBSPE-HNNXBMFYSA-N 1 3 284.513 3.468 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCSC2CCCCC2)CC1 ZINC000375693336 392805540 /nfs/dbraw/zinc/80/55/40/392805540.db2.gz PMMCEXLLUOBSPE-HNNXBMFYSA-N 1 3 284.513 3.468 20 0 CGADHO C([C@H]1CCSC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000375749185 392814524 /nfs/dbraw/zinc/81/45/24/392814524.db2.gz MXXGDJKSAYKQGC-IAGOWNOFSA-N 1 3 296.524 3.328 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCC12CCC2)CN1CCCCC1 ZINC000337406617 392883803 /nfs/dbraw/zinc/88/38/03/392883803.db2.gz SQXWFWAHOVRTFJ-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO Clc1ccc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647988437 392858803 /nfs/dbraw/zinc/85/88/03/392858803.db2.gz JIROSPZFLVKRAV-ZDUSSCGKSA-N 1 3 278.827 3.129 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192932645 392864555 /nfs/dbraw/zinc/86/45/55/392864555.db2.gz FLFZYJJZGRGULT-IIDMSEBBSA-N 1 3 287.451 3.396 20 0 CGADHO CN(C)CC1(C[NH2+][C@@H]2CCCc3occc32)CCCC1 ZINC000193287553 392874681 /nfs/dbraw/zinc/87/46/81/392874681.db2.gz YKCFSVVXCUUXPP-OAHLLOKOSA-N 1 3 276.424 3.369 20 0 CGADHO C[C@H](NCCCCOCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390591141 392926634 /nfs/dbraw/zinc/92/66/34/392926634.db2.gz PJZWSFYOAZTKOA-FUHWJXTLSA-N 1 3 290.451 3.104 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)c2ccccc21 ZINC000390880774 392927940 /nfs/dbraw/zinc/92/79/40/392927940.db2.gz SYLAIJQZCZYXRN-GDLCADMTSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1F ZINC000340472230 392973237 /nfs/dbraw/zinc/97/32/37/392973237.db2.gz HIOWMZWIKLFJRO-GJZGRUSLSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1F ZINC000340472230 392973244 /nfs/dbraw/zinc/97/32/44/392973244.db2.gz HIOWMZWIKLFJRO-GJZGRUSLSA-N 1 3 293.430 3.383 20 0 CGADHO CC(C)(C)c1cnc(CNC[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415009556 393093751 /nfs/dbraw/zinc/09/37/51/393093751.db2.gz UHXFKPYUWODJRH-NWDGAFQWSA-N 1 3 281.469 3.048 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000415016162 393098735 /nfs/dbraw/zinc/09/87/35/393098735.db2.gz ZXLXQIUOHZEEQM-MNOVXSKESA-N 1 3 278.396 3.380 20 0 CGADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)CCc1ccc(Cl)s1 ZINC000415020200 393100249 /nfs/dbraw/zinc/10/02/49/393100249.db2.gz SNWUYCQFZQCOJP-OPRDCNLKSA-N 1 3 260.834 3.048 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNCC2)CC1 ZINC000414917742 393058711 /nfs/dbraw/zinc/05/87/11/393058711.db2.gz RBDHDWGRWOYQMS-OWCLPIDISA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414981178 393077608 /nfs/dbraw/zinc/07/76/08/393077608.db2.gz QMTFUCALDDXBKN-GFCCVEGCSA-N 1 3 278.396 3.381 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCNCC2(C)C)C1 ZINC000414982658 393078719 /nfs/dbraw/zinc/07/87/19/393078719.db2.gz YSAWFEFNUQCFNN-LNLFQRSKSA-N 1 3 286.463 3.475 20 0 CGADHO COc1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415050587 393112943 /nfs/dbraw/zinc/11/29/43/393112943.db2.gz IQWZGZAALCHRNQ-SFHVURJKSA-N 1 3 284.403 3.265 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648585351 393114627 /nfs/dbraw/zinc/11/46/27/393114627.db2.gz BBBWITRTGKWUSV-LPHOPBHVSA-N 1 3 286.463 3.254 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)c1ccccc1 ZINC000415054407 393116833 /nfs/dbraw/zinc/11/68/33/393116833.db2.gz PVLYVDGSUHEQTN-ZYSHUDEJSA-N 1 3 280.415 3.135 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1 ZINC000415055100 393117637 /nfs/dbraw/zinc/11/76/37/393117637.db2.gz QYFQSRMDKATRJJ-LWYYNNOASA-N 1 3 292.426 3.135 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415075430 393132378 /nfs/dbraw/zinc/13/23/78/393132378.db2.gz FHPHTTWAGGAOGW-QXCFHYIPSA-N 1 3 284.447 3.227 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1ccccc1Cl ZINC000415081876 393133592 /nfs/dbraw/zinc/13/35/92/393133592.db2.gz CNZGSLGVWAGIAQ-GXTWGEPZSA-N 1 3 266.816 3.003 20 0 CGADHO CC(C)CC[C@H]([NH2+]C[C@@H]1CCCNC1)C(C)(C)C ZINC000415080330 393133772 /nfs/dbraw/zinc/13/37/72/393133772.db2.gz JJTIXVINTPCHAO-CABCVRRESA-N 1 3 254.462 3.427 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000415082086 393136720 /nfs/dbraw/zinc/13/67/20/393136720.db2.gz LGEVOMQBDCAHJI-NHYWBVRUSA-N 1 3 266.816 3.290 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000415115305 393149650 /nfs/dbraw/zinc/14/96/50/393149650.db2.gz DNCREPKTUANTIX-BXUZGUMPSA-N 1 3 254.805 3.364 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415123226 393150395 /nfs/dbraw/zinc/15/03/95/393150395.db2.gz JFZITDIORJSUBL-UONOGXRCSA-N 1 3 286.419 3.412 20 0 CGADHO C[C@H]1CCN(Cc2cccc(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC000415133183 393156463 /nfs/dbraw/zinc/15/64/63/393156463.db2.gz UXWYOMJHLPUABY-HNAYVOBHSA-N 1 3 295.430 3.165 20 0 CGADHO CC[N@@H+]1CC[C@H](NCC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000470256906 393235513 /nfs/dbraw/zinc/23/55/13/393235513.db2.gz INAQTIPNIUTHNM-RDJZCZTQSA-N 1 3 290.451 3.164 20 0 CGADHO CC[N@H+]1CC[C@H](NCC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000470256906 393235515 /nfs/dbraw/zinc/23/55/15/393235515.db2.gz INAQTIPNIUTHNM-RDJZCZTQSA-N 1 3 290.451 3.164 20 0 CGADHO CC1CCC(C)(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000355412056 393311774 /nfs/dbraw/zinc/31/17/74/393311774.db2.gz APWQVXXLLCVQNZ-VUROTCPHSA-N 1 3 264.457 3.419 20 0 CGADHO CCc1ccccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420383613 393480773 /nfs/dbraw/zinc/48/07/73/393480773.db2.gz DLAOGNCEQWPQGA-WMZOPIPTSA-N 1 3 272.436 3.213 20 0 CGADHO CCCC[C@H](COC)[NH2+]CCCN1CCCC[C@@H]1C ZINC000479900760 393434457 /nfs/dbraw/zinc/43/44/57/393434457.db2.gz KXVVWERHAKJBID-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@H](COC)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000479900760 393434459 /nfs/dbraw/zinc/43/44/59/393434459.db2.gz KXVVWERHAKJBID-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@H](COC)NCCC[N@H+]1CCCC[C@@H]1C ZINC000479900760 393434462 /nfs/dbraw/zinc/43/44/62/393434462.db2.gz KXVVWERHAKJBID-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1c(F)cccc1Cl ZINC000420393957 393482222 /nfs/dbraw/zinc/48/22/22/393482222.db2.gz CFHFJMFPCBIIPV-GHMZBOCLSA-N 1 3 270.779 3.129 20 0 CGADHO CN(CC(C)(C)C[NH3+])[C@H]1CCc2c1cccc2Cl ZINC000420292762 393451535 /nfs/dbraw/zinc/45/15/35/393451535.db2.gz PYBJVRVZGGVRQR-AWEZNQCLSA-N 1 3 266.816 3.244 20 0 CGADHO C[N@H+](CC(C)(C)CN)[C@H]1CCc2c1cccc2Cl ZINC000420292762 393451536 /nfs/dbraw/zinc/45/15/36/393451536.db2.gz PYBJVRVZGGVRQR-AWEZNQCLSA-N 1 3 266.816 3.244 20 0 CGADHO C[N@@H+](CC(C)(C)CN)[C@H]1CCc2c1cccc2Cl ZINC000420292762 393451538 /nfs/dbraw/zinc/45/15/38/393451538.db2.gz PYBJVRVZGGVRQR-AWEZNQCLSA-N 1 3 266.816 3.244 20 0 CGADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)c(Cl)c1 ZINC000420371186 393476648 /nfs/dbraw/zinc/47/66/48/393476648.db2.gz ZWQLBBFGOXXLEL-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO c1cc(CCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420404363 393484704 /nfs/dbraw/zinc/48/47/04/393484704.db2.gz RYIYLGVYYWXFPK-HZPDHXFCSA-N 1 3 278.465 3.145 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439988 393514729 /nfs/dbraw/zinc/51/47/29/393514729.db2.gz ABRZKCQCVOPNRY-YYIAUSFCSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439988 393514735 /nfs/dbraw/zinc/51/47/35/393514735.db2.gz ABRZKCQCVOPNRY-YYIAUSFCSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439988 393514741 /nfs/dbraw/zinc/51/47/41/393514741.db2.gz ABRZKCQCVOPNRY-YYIAUSFCSA-N 1 3 298.540 3.474 20 0 CGADHO CC[NH+](CC)CCCN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488450518 393519598 /nfs/dbraw/zinc/51/95/98/393519598.db2.gz SHLPBFHIIOJKKD-UONOGXRCSA-N 1 3 272.502 3.228 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488450518 393519603 /nfs/dbraw/zinc/51/96/03/393519603.db2.gz SHLPBFHIIOJKKD-UONOGXRCSA-N 1 3 272.502 3.228 20 0 CGADHO C[N@H+](CCCOc1ccc2ccccc2c1)C1CCNCC1 ZINC000430616446 393582942 /nfs/dbraw/zinc/58/29/42/393582942.db2.gz FIICXFREMUKLQS-UHFFFAOYSA-N 1 3 298.430 3.293 20 0 CGADHO C[N@@H+](CCCOc1ccc2ccccc2c1)C1CCNCC1 ZINC000430616446 393582944 /nfs/dbraw/zinc/58/29/44/393582944.db2.gz FIICXFREMUKLQS-UHFFFAOYSA-N 1 3 298.430 3.293 20 0 CGADHO C[C@H](CNCCSCc1ccccc1)C[NH+]1CCCC1 ZINC000430724021 393591057 /nfs/dbraw/zinc/59/10/57/393591057.db2.gz LMUBOOAOYSUIFR-MRXNPFEDSA-N 1 3 292.492 3.241 20 0 CGADHO C[C@H](C[NH2+]CCSCc1ccccc1)CN1CCCC1 ZINC000430724021 393591062 /nfs/dbraw/zinc/59/10/62/393591062.db2.gz LMUBOOAOYSUIFR-MRXNPFEDSA-N 1 3 292.492 3.241 20 0 CGADHO C[C@@H]([NH2+]CCCCF)c1ccc(OCCN(C)C)cc1 ZINC000361002705 393636439 /nfs/dbraw/zinc/63/64/39/393636439.db2.gz LCZUQVIXWYTRTJ-CQSZACIVSA-N 1 3 282.403 3.027 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCCCC1(F)F ZINC000423145940 393651437 /nfs/dbraw/zinc/65/14/37/393651437.db2.gz NEEAHVJEAYCITE-IMJJTQAJSA-N 1 3 296.405 3.360 20 0 CGADHO CC[C@@H](NCC1(C2CCC2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423170408 393653881 /nfs/dbraw/zinc/65/38/81/393653881.db2.gz XZQLVJHUUNEDLQ-CABCVRRESA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@@H]([NH2+]CC1(C2CCC2)CCC1)[C@@H]1CCCN1 ZINC000423170408 393653884 /nfs/dbraw/zinc/65/38/84/393653884.db2.gz XZQLVJHUUNEDLQ-CABCVRRESA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423278017 393659398 /nfs/dbraw/zinc/65/93/98/393659398.db2.gz QJBSEIQZLSPCJP-KBPBESRZSA-N 1 3 297.240 3.009 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCCC12CCC2 ZINC000423391381 393665149 /nfs/dbraw/zinc/66/51/49/393665149.db2.gz PGTPAWULJZZZHF-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423454947 393667802 /nfs/dbraw/zinc/66/78/02/393667802.db2.gz ZRWUNHKSWCEENS-BHDSKKPTSA-N 1 3 252.789 3.116 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000423476517 393669841 /nfs/dbraw/zinc/66/98/41/393669841.db2.gz SOGPYDWUIBUDIE-STQMWFEESA-N 1 3 297.240 3.072 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000435380033 393714795 /nfs/dbraw/zinc/71/47/95/393714795.db2.gz PEYWFJNPKANZRP-WMLDXEAASA-N 1 3 260.425 3.022 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000492817499 393767210 /nfs/dbraw/zinc/76/72/10/393767210.db2.gz KNIVZBLKISHDGV-PMPSAXMXSA-N 1 3 252.446 3.419 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222939259 572628532 /nfs/dbraw/zinc/62/85/32/572628532.db2.gz GGXUGXYDTGTVSD-IACUBPJLSA-N 1 3 264.438 3.329 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)COC(C)C ZINC000501469062 393854175 /nfs/dbraw/zinc/85/41/75/393854175.db2.gz DQEQKUIAVXOPCY-YESZJQIVSA-N 1 3 284.488 3.290 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)COC(C)C ZINC000501469062 393854179 /nfs/dbraw/zinc/85/41/79/393854179.db2.gz DQEQKUIAVXOPCY-YESZJQIVSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666995182 542832584 /nfs/dbraw/zinc/83/25/84/542832584.db2.gz FNRNSAMOSXDPOF-GDBMZVCRSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666995182 542832588 /nfs/dbraw/zinc/83/25/88/542832588.db2.gz FNRNSAMOSXDPOF-GDBMZVCRSA-N 1 3 258.409 3.054 20 0 CGADHO C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995791 542833482 /nfs/dbraw/zinc/83/34/82/542833482.db2.gz ZYJVNPHSKQZYGG-XHSDSOJGSA-N 1 3 262.441 3.220 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995398 542833801 /nfs/dbraw/zinc/83/38/01/542833801.db2.gz MURRRSOSMGGMJV-QLFBSQMISA-N 1 3 250.430 3.075 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@@H]2CCNC3(CCC3)C2)cc1C ZINC000666999491 542834971 /nfs/dbraw/zinc/83/49/71/542834971.db2.gz OCPFMUUNHMOBGG-QGZVFWFLSA-N 1 3 272.436 3.376 20 0 CGADHO CCC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)COC1 ZINC000449599724 393918143 /nfs/dbraw/zinc/91/81/43/393918143.db2.gz LMBZPZCVIZXJCM-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO CCC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)COC1 ZINC000449599724 393918151 /nfs/dbraw/zinc/91/81/51/393918151.db2.gz LMBZPZCVIZXJCM-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)CN1CCCC1 ZINC000453055658 394154637 /nfs/dbraw/zinc/15/46/37/394154637.db2.gz CYJZKHLCOQHEGF-SJORKVTESA-N 1 3 289.467 3.114 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000453056410 394155578 /nfs/dbraw/zinc/15/55/78/394155578.db2.gz BXSNKCKEILHBQZ-NXHRZFHOSA-N 1 3 287.451 3.009 20 0 CGADHO CCC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCC1 ZINC000453082688 394164966 /nfs/dbraw/zinc/16/49/66/394164966.db2.gz MEXAFIKCSJUOJE-BQFCYCMXSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000453256680 394222976 /nfs/dbraw/zinc/22/29/76/394222976.db2.gz MHKUPBLUQOOMCI-UMVBOHGHSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000453256680 394222979 /nfs/dbraw/zinc/22/29/79/394222979.db2.gz MHKUPBLUQOOMCI-UMVBOHGHSA-N 1 3 264.388 3.267 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000668817825 543066031 /nfs/dbraw/zinc/06/60/31/543066031.db2.gz AIGPJZNOZTXNCT-IRXDYDNUSA-N 1 3 262.441 3.197 20 0 CGADHO C[C@@H](C[N@@H+]1CCCC12CCN(C)CC2)C(C)(C)C ZINC000670269883 543150278 /nfs/dbraw/zinc/15/02/78/543150278.db2.gz VFQRYRSPBUHFEW-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](C[N@H+]1CCCC12CCN(C)CC2)C(C)(C)C ZINC000670269883 543150280 /nfs/dbraw/zinc/15/02/80/543150280.db2.gz VFQRYRSPBUHFEW-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1cccc([C@H](C)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000062078689 397638211 /nfs/dbraw/zinc/63/82/11/397638211.db2.gz QGDSYJSQXGVLCK-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000062078689 397638214 /nfs/dbraw/zinc/63/82/14/397638214.db2.gz QGDSYJSQXGVLCK-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H]1C[N@H+](CCCC2CCCCC2)CC[C@H]1N ZINC000395100141 397697152 /nfs/dbraw/zinc/69/71/52/397697152.db2.gz HKEGMONQTVRMIH-HZPDHXFCSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@@H]1CN(CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395100141 397697148 /nfs/dbraw/zinc/69/71/48/397697148.db2.gz HKEGMONQTVRMIH-HZPDHXFCSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1N ZINC000395100141 397697156 /nfs/dbraw/zinc/69/71/56/397697156.db2.gz HKEGMONQTVRMIH-HZPDHXFCSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@H](OCCN[C@@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710518 397898112 /nfs/dbraw/zinc/89/81/12/397898112.db2.gz QOVFQFVIVXZRET-JQHSSLGASA-N 1 3 290.451 3.275 20 0 CGADHO Cc1ccccc1C[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650718160 397901625 /nfs/dbraw/zinc/90/16/25/397901625.db2.gz ZWDMNMQCNKFCBL-AWEZNQCLSA-N 1 3 286.394 3.314 20 0 CGADHO [NH3+]CC1(CCN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000650747124 397906650 /nfs/dbraw/zinc/90/66/50/397906650.db2.gz SHYYLSHGOUESHS-KRWDZBQOSA-N 1 3 299.393 3.029 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccccc1N(C)C ZINC000650757491 397910279 /nfs/dbraw/zinc/91/02/79/397910279.db2.gz YGKVNPDHQSOSSW-HNNXBMFYSA-N 1 3 297.446 3.323 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccccc21 ZINC000650759229 397911299 /nfs/dbraw/zinc/91/12/99/397911299.db2.gz HAHFQIXZCOWEHC-GOSISDBHSA-N 1 3 266.388 3.183 20 0 CGADHO C[C@H](NCCC1CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000650762581 397912356 /nfs/dbraw/zinc/91/23/56/397912356.db2.gz FENBHOPTLFRRDC-LBPRGKRZSA-N 1 3 293.480 3.062 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422816002 296576581 /nfs/dbraw/zinc/57/65/81/296576581.db2.gz CWNXKRNCQWXLQA-VOAKCMCISA-N 1 3 278.362 3.085 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CCCc2sccc2C1 ZINC000675495644 543344025 /nfs/dbraw/zinc/34/40/25/543344025.db2.gz HWUZLTUGIHPHGK-OAHLLOKOSA-N 1 3 278.465 3.371 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CCCc2sccc2C1 ZINC000675495644 543344026 /nfs/dbraw/zinc/34/40/26/543344026.db2.gz HWUZLTUGIHPHGK-OAHLLOKOSA-N 1 3 278.465 3.371 20 0 CGADHO CCC[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)c1ccccn1 ZINC000675815406 543367324 /nfs/dbraw/zinc/36/73/24/543367324.db2.gz BKYCZEWVKDPEHJ-YOEHRIQHSA-N 1 3 275.440 3.243 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1cccc(Cl)c1 ZINC000422921089 286012321 /nfs/dbraw/zinc/01/23/21/286012321.db2.gz OUKGXONPMVKYES-ARFHVFGLSA-N 1 3 296.842 3.277 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000678120716 543484828 /nfs/dbraw/zinc/48/48/28/543484828.db2.gz XZDVEMYUSQWXFP-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000678120716 543484831 /nfs/dbraw/zinc/48/48/31/543484831.db2.gz XZDVEMYUSQWXFP-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CC[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678179348 543491648 /nfs/dbraw/zinc/49/16/48/543491648.db2.gz JIAUPSSTUKAKKP-INIZCTEOSA-N 1 3 290.451 3.249 20 0 CGADHO CC[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678179348 543491649 /nfs/dbraw/zinc/49/16/49/543491649.db2.gz JIAUPSSTUKAKKP-INIZCTEOSA-N 1 3 290.451 3.249 20 0 CGADHO CC(C)[C@@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678335952 543516187 /nfs/dbraw/zinc/51/61/87/543516187.db2.gz QBPGZNXGFFOVEB-QGZVFWFLSA-N 1 3 290.451 3.105 20 0 CGADHO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678335952 543516188 /nfs/dbraw/zinc/51/61/88/543516188.db2.gz QBPGZNXGFFOVEB-QGZVFWFLSA-N 1 3 290.451 3.105 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000678593566 543539545 /nfs/dbraw/zinc/53/95/45/543539545.db2.gz JRVVWBWTISDDOV-WDSOQIARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678593566 543539547 /nfs/dbraw/zinc/53/95/47/543539547.db2.gz JRVVWBWTISDDOV-WDSOQIARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CCN3CCC[C@H]3C2)c1 ZINC000678593566 543539550 /nfs/dbraw/zinc/53/95/50/543539550.db2.gz JRVVWBWTISDDOV-WDSOQIARSA-N 1 3 286.463 3.451 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000678596654 543540397 /nfs/dbraw/zinc/54/03/97/543540397.db2.gz IDKJEARGRCVROJ-AIHBUXEESA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000678596654 543540399 /nfs/dbraw/zinc/54/03/99/543540399.db2.gz IDKJEARGRCVROJ-AIHBUXEESA-N 1 3 284.447 3.395 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678598181 543540995 /nfs/dbraw/zinc/54/09/95/543540995.db2.gz CBMGBOYZICMRIC-SJORKVTESA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678598181 543540997 /nfs/dbraw/zinc/54/09/97/543540997.db2.gz CBMGBOYZICMRIC-SJORKVTESA-N 1 3 272.436 3.062 20 0 CGADHO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000678930294 543573893 /nfs/dbraw/zinc/57/38/93/543573893.db2.gz HVMAXAMDYGIZTF-KBXCAEBGSA-N 1 3 270.420 3.162 20 0 CGADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CCCC[C@H]3C)C[C@H]2C1 ZINC000424267751 286114763 /nfs/dbraw/zinc/11/47/63/286114763.db2.gz YNIYYPUMYRJPGV-ZBRFXRBCSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H](C)[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423460494 287050298 /nfs/dbraw/zinc/05/02/98/287050298.db2.gz IWPCHPYPODYPAS-KXNHARMFSA-N 1 3 254.805 3.157 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCC2)C12CCCC2 ZINC000085681261 165183349 /nfs/dbraw/zinc/18/33/49/165183349.db2.gz FLVMAWXIQGNVQO-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000090586085 287103116 /nfs/dbraw/zinc/10/31/16/287103116.db2.gz WTSSXGUCNCBEAR-XHSDSOJGSA-N 1 3 254.462 3.379 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093212214 165324034 /nfs/dbraw/zinc/32/40/34/165324034.db2.gz GGXUGXYDTGTVSD-FPMFFAJLSA-N 1 3 264.438 3.329 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccs1 ZINC000093496094 165328796 /nfs/dbraw/zinc/32/87/96/165328796.db2.gz BIHANFIBBCIQJS-KBPBESRZSA-N 1 3 266.454 3.191 20 0 CGADHO C[C@H]1CN(Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000094339096 165348748 /nfs/dbraw/zinc/34/87/48/165348748.db2.gz BJFHWNWKXLXISE-GUYCJALGSA-N 1 3 254.377 3.009 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000094901282 165396428 /nfs/dbraw/zinc/39/64/28/165396428.db2.gz PHYWTQHQLSQLAE-QGZVFWFLSA-N 1 3 260.425 3.056 20 0 CGADHO CC(C)c1ccc(CC[NH+]2CCC(N(C)C)CC2)cc1 ZINC000121334297 287196931 /nfs/dbraw/zinc/19/69/31/287196931.db2.gz ASAYSDXBTLDSAT-UHFFFAOYSA-N 1 3 274.452 3.379 20 0 CGADHO c1ccc(CCN2CC[C@@H](C[NH2+]C[C@H]3CC=CCC3)C2)cc1 ZINC000121719574 287202502 /nfs/dbraw/zinc/20/25/02/287202502.db2.gz YRKVXXXGLHJBAD-PMACEKPBSA-N 1 3 298.474 3.497 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2ccccc2OC)CC1 ZINC000122701917 287211878 /nfs/dbraw/zinc/21/18/78/287211878.db2.gz JRNNNFULAHARSN-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284256641 196013479 /nfs/dbraw/zinc/01/34/79/196013479.db2.gz GAZIAQPCZGJLLX-OAHLLOKOSA-N 1 3 290.451 3.294 20 0 CGADHO CC1CCN(CCC[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000020146347 171032632 /nfs/dbraw/zinc/03/26/32/171032632.db2.gz HEPNOUWNVWVZJO-MRXNPFEDSA-N 1 3 250.430 3.054 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000037267042 173077990 /nfs/dbraw/zinc/07/79/90/173077990.db2.gz ZIVOMYXFTABRHR-LLVKDONJSA-N 1 3 284.350 3.033 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCCNCC1 ZINC000038086961 174098331 /nfs/dbraw/zinc/09/83/31/174098331.db2.gz SSPFFRGLLGNUGL-AWEZNQCLSA-N 1 3 254.377 3.196 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCCNCC1 ZINC000038086961 174098333 /nfs/dbraw/zinc/09/83/33/174098333.db2.gz SSPFFRGLLGNUGL-AWEZNQCLSA-N 1 3 254.377 3.196 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000129244810 287327365 /nfs/dbraw/zinc/32/73/65/287327365.db2.gz WIMCLUQUEJDVBB-LBPRGKRZSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc3ncccc3c2)[C@@H]1CC[NH3+] ZINC000404369278 416552040 /nfs/dbraw/zinc/55/20/40/416552040.db2.gz IFOOAHKCLMEYEI-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)[C@@H]1CCN ZINC000404369278 416552042 /nfs/dbraw/zinc/55/20/42/416552042.db2.gz IFOOAHKCLMEYEI-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@@H]1CCN ZINC000404369278 416552047 /nfs/dbraw/zinc/55/20/47/416552047.db2.gz IFOOAHKCLMEYEI-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915776 416563421 /nfs/dbraw/zinc/56/34/21/416563421.db2.gz MUROYHULGOWWJD-BRSBDYLESA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915776 416563429 /nfs/dbraw/zinc/56/34/29/416563429.db2.gz MUROYHULGOWWJD-BRSBDYLESA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CN3CCCC[C@H]3C)C2)CCO1 ZINC000420915776 416563436 /nfs/dbraw/zinc/56/34/36/416563436.db2.gz MUROYHULGOWWJD-BRSBDYLESA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CN3CCCC[C@H]3C)C2)CCO1 ZINC000420915776 416563439 /nfs/dbraw/zinc/56/34/39/416563439.db2.gz MUROYHULGOWWJD-BRSBDYLESA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2ccncc2)CC1 ZINC000680326103 543697364 /nfs/dbraw/zinc/69/73/64/543697364.db2.gz CQXNDLBZVMTZKJ-CVEARBPZSA-N 1 3 273.424 3.030 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)c(C)n1 ZINC000684559961 544013421 /nfs/dbraw/zinc/01/34/21/544013421.db2.gz CBTIUZBWWOHWRE-KLAILNCOSA-N 1 3 287.451 3.366 20 0 CGADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC1CCC1 ZINC000684429711 543999656 /nfs/dbraw/zinc/99/96/56/543999656.db2.gz YSGLKILCMAYNBC-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)CC1CCC1 ZINC000684429711 543999657 /nfs/dbraw/zinc/99/96/57/543999657.db2.gz YSGLKILCMAYNBC-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1F ZINC000352797266 227235012 /nfs/dbraw/zinc/23/50/12/227235012.db2.gz VZNUZAUKFCCOQR-BOPNBLERSA-N 1 3 292.373 3.052 20 0 CGADHO CO[C@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000658330463 418937965 /nfs/dbraw/zinc/93/79/65/418937965.db2.gz RYUGJKBVIVKKGJ-QGZVFWFLSA-N 1 3 296.499 3.434 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@H+](CC3CC=CC3)C2)CC1 ZINC000659868373 419022682 /nfs/dbraw/zinc/02/26/82/419022682.db2.gz ZWHHXARXZITQNY-SFHVURJKSA-N 1 3 276.468 3.397 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@@H+](CC3CC=CC3)C2)CC1 ZINC000659868373 419022685 /nfs/dbraw/zinc/02/26/85/419022685.db2.gz ZWHHXARXZITQNY-SFHVURJKSA-N 1 3 276.468 3.397 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653565600 419050489 /nfs/dbraw/zinc/05/04/89/419050489.db2.gz VAXQQEHTGOGXPL-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653565600 419050492 /nfs/dbraw/zinc/05/04/92/419050492.db2.gz VAXQQEHTGOGXPL-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO c1cc2c(cc[nH+]c2NC[C@H]2CCN2Cc2ccccc2)[nH]1 ZINC000664632367 418989040 /nfs/dbraw/zinc/98/90/40/418989040.db2.gz RHZLWDUIEDUXBO-OAHLLOKOSA-N 1 3 292.386 3.249 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000655743599 419085045 /nfs/dbraw/zinc/08/50/45/419085045.db2.gz IKQXQTHOGGIHTI-CVEARBPZSA-N 1 3 271.408 3.130 20 0 CGADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000665253011 419093947 /nfs/dbraw/zinc/09/39/47/419093947.db2.gz CYYSWAFRUPYVPG-OEFWNQGBSA-N 1 3 294.389 3.044 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[C@H]3C[C@H]32)c2ccccc21 ZINC000665262979 419095681 /nfs/dbraw/zinc/09/56/81/419095681.db2.gz DAGHGDOZKCWFJW-IXDLUCPKSA-N 1 3 256.393 3.157 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CCC(F)(F)CC1 ZINC000653872089 419099640 /nfs/dbraw/zinc/09/96/40/419099640.db2.gz OPHPXUNNXUFQBP-OCCSQVGLSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000665280492 419100638 /nfs/dbraw/zinc/10/06/38/419100638.db2.gz DPHNTITWJBJMKI-KBAYOESNSA-N 1 3 290.451 3.117 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc(Br)c1 ZINC000665279572 419101065 /nfs/dbraw/zinc/10/10/65/419101065.db2.gz GHWORVZEGTVJTE-BXUZGUMPSA-N 1 3 299.256 3.473 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000665281561 419103142 /nfs/dbraw/zinc/10/31/42/419103142.db2.gz GWIBYHNAIVCYSN-CABCVRRESA-N 1 3 252.446 3.452 20 0 CGADHO C[NH2+]C[C@H](C)N[C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297634 419111225 /nfs/dbraw/zinc/11/12/25/419111225.db2.gz JBTZWIQHZDSGAF-KBPBESRZSA-N 1 3 298.858 3.393 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CCCC2CCC2)C1 ZINC000659981930 419052660 /nfs/dbraw/zinc/05/26/60/419052660.db2.gz AFYQBEHAYFENKX-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCC2CCC2)C1 ZINC000659981930 419052662 /nfs/dbraw/zinc/05/26/62/419052662.db2.gz AFYQBEHAYFENKX-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659981930 419052664 /nfs/dbraw/zinc/05/26/64/419052664.db2.gz AFYQBEHAYFENKX-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659981930 419052666 /nfs/dbraw/zinc/05/26/66/419052666.db2.gz AFYQBEHAYFENKX-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660658141 419176738 /nfs/dbraw/zinc/17/67/38/419176738.db2.gz CQTNMJLTQFMIPP-QAPCUYQASA-N 1 3 288.435 3.174 20 0 CGADHO COc1cccc([C@@H](C)[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000660658141 419176741 /nfs/dbraw/zinc/17/67/41/419176741.db2.gz CQTNMJLTQFMIPP-QAPCUYQASA-N 1 3 288.435 3.174 20 0 CGADHO CSc1ccccc1C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660665068 419179212 /nfs/dbraw/zinc/17/92/12/419179212.db2.gz TZFHEBUAYVCYBO-QGZVFWFLSA-N 1 3 290.476 3.326 20 0 CGADHO CSc1ccccc1C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660665068 419179214 /nfs/dbraw/zinc/17/92/14/419179214.db2.gz TZFHEBUAYVCYBO-QGZVFWFLSA-N 1 3 290.476 3.326 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172156 419194545 /nfs/dbraw/zinc/19/45/45/419194545.db2.gz NBAJDFZQDDFNOY-PXAZEXFGSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172156 419194548 /nfs/dbraw/zinc/19/45/48/419194548.db2.gz NBAJDFZQDDFNOY-PXAZEXFGSA-N 1 3 294.389 3.274 20 0 CGADHO CC[NH2+]CC1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655938549 419127924 /nfs/dbraw/zinc/12/79/24/419127924.db2.gz XRRXNGKBDJORBP-UHFFFAOYSA-N 1 3 296.405 3.219 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)c1ccccn1 ZINC000656783602 419218045 /nfs/dbraw/zinc/21/80/45/419218045.db2.gz QZIQDTXICNXJDZ-OAGGEKHMSA-N 1 3 275.440 3.086 20 0 CGADHO C[C@@H]1[C@H](NCC2([NH3+])CCCC2)C[C@@H]1c1ccccc1 ZINC000656789530 419220913 /nfs/dbraw/zinc/22/09/13/419220913.db2.gz PQYBWNJIXYNJFH-CWRNSKLLSA-N 1 3 258.409 3.040 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1ccc(F)c(F)c1F ZINC000657481132 419289867 /nfs/dbraw/zinc/28/98/67/419289867.db2.gz ADKGBLRSBLMWLO-UHFFFAOYSA-N 1 3 288.357 3.314 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657559695 419304076 /nfs/dbraw/zinc/30/40/76/419304076.db2.gz PYGPEVPQKNIDAM-QGTPRVQTSA-N 1 3 290.426 3.282 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657559695 419304079 /nfs/dbraw/zinc/30/40/79/419304079.db2.gz PYGPEVPQKNIDAM-QGTPRVQTSA-N 1 3 290.426 3.282 20 0 CGADHO CC(C)C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612641 419313378 /nfs/dbraw/zinc/31/33/78/419313378.db2.gz NPCNEDTZBVWCHR-INIZCTEOSA-N 1 3 289.467 3.318 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN(C1CC1)C1CC[NH2+]CC1 ZINC000662235330 419370354 /nfs/dbraw/zinc/37/03/54/419370354.db2.gz QIIMHLRRDQICHL-MRXNPFEDSA-N 1 3 284.447 3.323 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662244476 419371844 /nfs/dbraw/zinc/37/18/44/419371844.db2.gz HEBCUIPYKTTWSW-USXIJHARSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662244476 419371849 /nfs/dbraw/zinc/37/18/49/419371849.db2.gz HEBCUIPYKTTWSW-USXIJHARSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 ZINC000662244476 419371853 /nfs/dbraw/zinc/37/18/53/419371853.db2.gz HEBCUIPYKTTWSW-USXIJHARSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662246185 419373093 /nfs/dbraw/zinc/37/30/93/419373093.db2.gz PGPBJCTYDSGZOI-ZNMIVQPWSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662246185 419373100 /nfs/dbraw/zinc/37/31/00/419373100.db2.gz PGPBJCTYDSGZOI-ZNMIVQPWSA-N 1 3 252.446 3.262 20 0 CGADHO C(CC1CCC1)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662263886 419375245 /nfs/dbraw/zinc/37/52/45/419375245.db2.gz GHSCBWCSQTYECE-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(C)c1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000662266911 419376620 /nfs/dbraw/zinc/37/66/20/419376620.db2.gz QPUDZFBMQDIUNV-BHYGNILZSA-N 1 3 272.436 3.153 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1N ZINC000662270790 419379737 /nfs/dbraw/zinc/37/97/37/419379737.db2.gz NWZRZZSLLXPWMW-UWWQBHOKSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1N ZINC000662270790 419379742 /nfs/dbraw/zinc/37/97/42/419379742.db2.gz NWZRZZSLLXPWMW-UWWQBHOKSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1CN(CC[C@@H]2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000662270790 419379748 /nfs/dbraw/zinc/37/97/48/419379748.db2.gz NWZRZZSLLXPWMW-UWWQBHOKSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@H](CC(F)F)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662277553 419381753 /nfs/dbraw/zinc/38/17/53/419381753.db2.gz WBNQLLCHKMDBJE-MCIONIFRSA-N 1 3 274.399 3.132 20 0 CGADHO C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)CN1CCCCC1 ZINC000657844694 419385499 /nfs/dbraw/zinc/38/54/99/419385499.db2.gz RKYFJMCHZYBDRV-CHWSQXEVSA-N 1 3 276.415 3.378 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@H]1CC1(C)C ZINC000663344341 419567576 /nfs/dbraw/zinc/56/75/76/419567576.db2.gz RVNXCADLOBOZAR-CWRNSKLLSA-N 1 3 264.457 3.133 20 0 CGADHO CCC[C@@H](C)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663346249 419565847 /nfs/dbraw/zinc/56/58/47/419565847.db2.gz RPOGIVSTZCDQLO-ZBFHGGJFSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000663502679 419637158 /nfs/dbraw/zinc/63/71/58/419637158.db2.gz JUOFHJBZAGEULQ-GVDBMIGSSA-N 1 3 278.415 3.425 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000663502679 419637162 /nfs/dbraw/zinc/63/71/62/419637162.db2.gz JUOFHJBZAGEULQ-GVDBMIGSSA-N 1 3 278.415 3.425 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464590 419617083 /nfs/dbraw/zinc/61/70/83/419617083.db2.gz DTUMHDLRUBVINW-YOEHRIQHSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)C(F)F ZINC000663466515 419620036 /nfs/dbraw/zinc/62/00/36/419620036.db2.gz UYSZLOWZIJDGTG-JSGCOSHPSA-N 1 3 288.426 3.378 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658160896 419622365 /nfs/dbraw/zinc/62/23/65/419622365.db2.gz GZCWCZFTWDCWLH-DKIMLUQUSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658160896 419622371 /nfs/dbraw/zinc/62/23/71/419622371.db2.gz GZCWCZFTWDCWLH-DKIMLUQUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccccc1 ZINC000663470175 419627621 /nfs/dbraw/zinc/62/76/21/419627621.db2.gz SQVJZWCAMZHCOQ-WBVHZDCISA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000394527033 261383194 /nfs/dbraw/zinc/38/31/94/261383194.db2.gz GCORARDQFLQHBF-GDBMZVCRSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527033 261383196 /nfs/dbraw/zinc/38/31/96/261383196.db2.gz GCORARDQFLQHBF-GDBMZVCRSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394527033 261383198 /nfs/dbraw/zinc/38/31/98/261383198.db2.gz GCORARDQFLQHBF-GDBMZVCRSA-N 1 3 252.446 3.406 20 0 CGADHO CCCCC[N@H+](CCCN1CCN(C(C)C)CC1)C(C)C ZINC000191432534 262192243 /nfs/dbraw/zinc/19/22/43/262192243.db2.gz CMRKYNLMMYUYAP-UHFFFAOYSA-N 1 3 297.531 3.303 20 0 CGADHO CCCCC[N@@H+](CCCN1CCN(C(C)C)CC1)C(C)C ZINC000191432534 262192245 /nfs/dbraw/zinc/19/22/45/262192245.db2.gz CMRKYNLMMYUYAP-UHFFFAOYSA-N 1 3 297.531 3.303 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044533388 270035815 /nfs/dbraw/zinc/03/58/15/270035815.db2.gz YTMIFKHHTSZTMZ-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000044533388 270035816 /nfs/dbraw/zinc/03/58/16/270035816.db2.gz YTMIFKHHTSZTMZ-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000085380353 270043589 /nfs/dbraw/zinc/04/35/89/270043589.db2.gz RTWYYCDHEAVSOU-KGLIPLIRSA-N 1 3 282.472 3.089 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000085380353 270043590 /nfs/dbraw/zinc/04/35/90/270043590.db2.gz RTWYYCDHEAVSOU-KGLIPLIRSA-N 1 3 282.472 3.089 20 0 CGADHO CCCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821352 270044235 /nfs/dbraw/zinc/04/42/35/270044235.db2.gz PFRDLXQLLKOSJE-UHFFFAOYSA-N 1 3 275.440 3.420 20 0 CGADHO CCCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821352 270044237 /nfs/dbraw/zinc/04/42/37/270044237.db2.gz PFRDLXQLLKOSJE-UHFFFAOYSA-N 1 3 275.440 3.420 20 0 CGADHO C[C@H](N)CC[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414817484 274502998 /nfs/dbraw/zinc/50/29/98/274502998.db2.gz AQPVMIWKCSMYJX-OOHWJJMZSA-N 1 3 260.425 3.214 20 0 CGADHO CC(C)C[C@@H]1OCCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000186833887 270067490 /nfs/dbraw/zinc/06/74/90/270067490.db2.gz ICHSGHAZQWXXEU-IRXDYDNUSA-N 1 3 296.499 3.433 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCCC1 ZINC000223017617 270086298 /nfs/dbraw/zinc/08/62/98/270086298.db2.gz BXTVIZDMPVTUOL-AWEZNQCLSA-N 1 3 280.843 3.347 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000223017617 270086299 /nfs/dbraw/zinc/08/62/99/270086299.db2.gz BXTVIZDMPVTUOL-AWEZNQCLSA-N 1 3 280.843 3.347 20 0 CGADHO c1cc(N2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000324782115 270094601 /nfs/dbraw/zinc/09/46/01/270094601.db2.gz GYSYIOKSJUPWOJ-SFHVURJKSA-N 1 3 285.435 3.219 20 0 CGADHO c1ccc2c(c1)CCC(C[NH2+][C@H]1CCN3CCC[C@H]3C1)CC2 ZINC000527733367 270132946 /nfs/dbraw/zinc/13/29/46/270132946.db2.gz GHKYEINWGXPOTP-PMACEKPBSA-N 1 3 298.474 3.398 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC12CC2 ZINC000527866148 270140473 /nfs/dbraw/zinc/14/04/73/270140473.db2.gz OFWXORHHHDZQTK-BBRMVZONSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@@H]1CC12CC2 ZINC000527844182 270139222 /nfs/dbraw/zinc/13/92/22/270139222.db2.gz GPLOOLJNMBQZON-ILXRZTDVSA-N 1 3 250.430 3.029 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527355 270182822 /nfs/dbraw/zinc/18/28/22/270182822.db2.gz DASLJUAZJYRACF-KDOFPFPSSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527355 270182823 /nfs/dbraw/zinc/18/28/23/270182823.db2.gz DASLJUAZJYRACF-KDOFPFPSSA-N 1 3 285.435 3.330 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530216873 270195733 /nfs/dbraw/zinc/19/57/33/270195733.db2.gz QSOKIHPMNPQIQM-DLBZAZTESA-N 1 3 272.436 3.128 20 0 CGADHO C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CCCCC12CCCC2 ZINC000530216477 270195795 /nfs/dbraw/zinc/19/57/95/270195795.db2.gz PJQYEJAWPRKWPR-CABCVRRESA-N 1 3 262.441 3.364 20 0 CGADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CCCCC12CCCC2 ZINC000530216477 270195796 /nfs/dbraw/zinc/19/57/96/270195796.db2.gz PJQYEJAWPRKWPR-CABCVRRESA-N 1 3 262.441 3.364 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530215483 270195951 /nfs/dbraw/zinc/19/59/51/270195951.db2.gz GPJQELJQTSNZMB-ZACQAIPSSA-N 1 3 299.462 3.290 20 0 CGADHO CC[C@H]1CCCN1CC(C)C[N@@H+]1CCC[C@@H]1CC ZINC000533287168 270223169 /nfs/dbraw/zinc/22/31/69/270223169.db2.gz UNGKUOMOTGVBGD-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H]1CCCN1CC(C)C[N@H+]1CCC[C@@H]1CC ZINC000533287168 270223170 /nfs/dbraw/zinc/22/31/70/270223170.db2.gz UNGKUOMOTGVBGD-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO CCN(CC(C)C[N@H+](CC)C1CCC1)C1CCC1 ZINC000533300638 270223282 /nfs/dbraw/zinc/22/32/82/270223282.db2.gz IFVWDPJCVHTKJA-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CCN(CC(C)C[N@@H+](CC)C1CCC1)C1CCC1 ZINC000533300638 270223283 /nfs/dbraw/zinc/22/32/83/270223283.db2.gz IFVWDPJCVHTKJA-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000423392179 274377672 /nfs/dbraw/zinc/37/76/72/274377672.db2.gz LGWLVUUQEWTIGY-XOKHGSTOSA-N 1 3 272.436 3.387 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423392179 274377673 /nfs/dbraw/zinc/37/76/73/274377673.db2.gz LGWLVUUQEWTIGY-XOKHGSTOSA-N 1 3 272.436 3.387 20 0 CGADHO c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000346843251 275068113 /nfs/dbraw/zinc/06/81/13/275068113.db2.gz XSDLOVUFWBKDSB-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000346843251 275068115 /nfs/dbraw/zinc/06/81/15/275068115.db2.gz XSDLOVUFWBKDSB-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423203051 275668582 /nfs/dbraw/zinc/66/85/82/275668582.db2.gz BUOKBLNPVIPTFK-QZTJIDSGSA-N 1 3 274.452 3.233 20 0 CGADHO CC1(C)CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423401242 275820625 /nfs/dbraw/zinc/82/06/25/275820625.db2.gz VXFJSDDWZHSBMO-INIZCTEOSA-N 1 3 258.409 3.348 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CS1 ZINC000488437993 276000574 /nfs/dbraw/zinc/00/05/74/276000574.db2.gz LREYCRLTXIVETQ-XHSDSOJGSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000488437993 276000575 /nfs/dbraw/zinc/00/05/75/276000575.db2.gz LREYCRLTXIVETQ-XHSDSOJGSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488437993 276000577 /nfs/dbraw/zinc/00/05/77/276000577.db2.gz LREYCRLTXIVETQ-XHSDSOJGSA-N 1 3 284.513 3.371 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675488 276074813 /nfs/dbraw/zinc/07/48/13/276074813.db2.gz GOWDRGYWVMYACG-HUUCEWRRSA-N 1 3 278.415 3.203 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675488 276074814 /nfs/dbraw/zinc/07/48/14/276074814.db2.gz GOWDRGYWVMYACG-HUUCEWRRSA-N 1 3 278.415 3.203 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000351355531 276095708 /nfs/dbraw/zinc/09/57/08/276095708.db2.gz YJAWTHOCFPOMLA-QGZVFWFLSA-N 1 3 260.425 3.338 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000351355531 276095709 /nfs/dbraw/zinc/09/57/09/276095709.db2.gz YJAWTHOCFPOMLA-QGZVFWFLSA-N 1 3 260.425 3.338 20 0 CGADHO CC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000300415240 276168623 /nfs/dbraw/zinc/16/86/23/276168623.db2.gz UAXCSPUKPMZAEY-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CC1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000019912901 276190855 /nfs/dbraw/zinc/19/08/55/276190855.db2.gz NSZPBQBLWOYGNO-HWOWSKLDSA-N 1 3 252.446 3.419 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000037643703 276397837 /nfs/dbraw/zinc/39/78/37/276397837.db2.gz NQEXJIJDAQQBDR-RRFJBIMHSA-N 1 3 252.446 3.133 20 0 CGADHO CCS[C@@H]1CC[C@H](N(C)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246674261 276399169 /nfs/dbraw/zinc/39/91/69/276399169.db2.gz FQEXQGKETLWJOH-QLFBSQMISA-N 1 3 270.486 3.077 20 0 CGADHO CCS[C@@H]1CC[C@H](N(C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000246674261 276399170 /nfs/dbraw/zinc/39/91/70/276399170.db2.gz FQEXQGKETLWJOH-QLFBSQMISA-N 1 3 270.486 3.077 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414865108 276574500 /nfs/dbraw/zinc/57/45/00/276574500.db2.gz YXOGFDRKGYWDND-KBAYOESNSA-N 1 3 274.452 3.294 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000341403546 276781577 /nfs/dbraw/zinc/78/15/77/276781577.db2.gz NFGANUVPELRFIH-HSFUPAIVSA-N 1 3 294.483 3.044 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000365067580 276833871 /nfs/dbraw/zinc/83/38/71/276833871.db2.gz IHWQRBRQVJVYHX-QXDIGNSFSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000349194150 277033041 /nfs/dbraw/zinc/03/30/41/277033041.db2.gz RFICZPLGTPMYHX-NVXWUHKLSA-N 1 3 262.441 3.006 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000349194150 277033042 /nfs/dbraw/zinc/03/30/42/277033042.db2.gz RFICZPLGTPMYHX-NVXWUHKLSA-N 1 3 262.441 3.006 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cccc3cc[nH]c32)CC1 ZINC000335680742 277038372 /nfs/dbraw/zinc/03/83/72/277038372.db2.gz CDZYDTSLWZXCQP-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cccc3cc[nH]c32)CC1 ZINC000335680742 277038374 /nfs/dbraw/zinc/03/83/74/277038374.db2.gz CDZYDTSLWZXCQP-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CCCc2ccccc2C1 ZINC000346171366 277045825 /nfs/dbraw/zinc/04/58/25/277045825.db2.gz RRHNMMPLAXIOOO-SFHVURJKSA-N 1 3 272.436 3.309 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CCCc2ccccc2C1 ZINC000346171366 277045826 /nfs/dbraw/zinc/04/58/26/277045826.db2.gz RRHNMMPLAXIOOO-SFHVURJKSA-N 1 3 272.436 3.309 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175024 277069276 /nfs/dbraw/zinc/06/92/76/277069276.db2.gz VLLAHMGASOPADK-ZTFGCOKTSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175024 277069277 /nfs/dbraw/zinc/06/92/77/277069277.db2.gz VLLAHMGASOPADK-ZTFGCOKTSA-N 1 3 288.410 3.229 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000337378019 277237334 /nfs/dbraw/zinc/23/73/34/277237334.db2.gz BSHMYFYGRYKYQI-IKGGRYGDSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)CS1 ZINC000488456274 277244310 /nfs/dbraw/zinc/24/43/10/277244310.db2.gz HDRFAOMZIHLPME-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC(C(F)(F)F)C1 ZINC000423120819 277592016 /nfs/dbraw/zinc/59/20/16/277592016.db2.gz HSMKCMZUDWSLKF-QCXCNERSSA-N 1 3 278.362 3.228 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC12CCC2)CN1CCCC1 ZINC000394756453 288003585 /nfs/dbraw/zinc/00/35/85/288003585.db2.gz BCLHOKRIOWNMCJ-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000163474370 278168332 /nfs/dbraw/zinc/16/83/32/278168332.db2.gz WKWAESJTNIHCIG-JHJVBQTASA-N 1 3 278.362 3.324 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)C1CCSCC1)N1CCCCC1 ZINC000187541929 278174009 /nfs/dbraw/zinc/17/40/09/278174009.db2.gz CTXQGYDFSAIQJL-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@]1(C)CCCS1 ZINC000133928763 278216353 /nfs/dbraw/zinc/21/63/53/278216353.db2.gz PTCKRIFYKSRRKB-ILXRZTDVSA-N 1 3 270.486 3.173 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000397409181 288023302 /nfs/dbraw/zinc/02/33/02/288023302.db2.gz VDQOWMPOPVICLN-NFAWXSAZSA-N 1 3 272.392 3.238 20 0 CGADHO CC(C)CSCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000397459635 288023733 /nfs/dbraw/zinc/02/37/33/288023733.db2.gz QDDUVINPGRKGJV-BZUAXINKSA-N 1 3 284.513 3.276 20 0 CGADHO CC1(C)CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000158892005 278243515 /nfs/dbraw/zinc/24/35/15/278243515.db2.gz INAJIJHBFYJATO-SOUVJXGZSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000423297503 278245558 /nfs/dbraw/zinc/24/55/58/278245558.db2.gz KNTIXQKXXGLINE-MAUKXSAKSA-N 1 3 268.404 3.155 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CC1(C)C ZINC000487310275 278254167 /nfs/dbraw/zinc/25/41/67/278254167.db2.gz QNCGLAKEXSNLBL-XJKSGUPXSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@@H](C)C1CCCCC1 ZINC000423207807 278264620 /nfs/dbraw/zinc/26/46/20/278264620.db2.gz HHDNHQXSZCOTQZ-ILXRZTDVSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423400807 278283279 /nfs/dbraw/zinc/28/32/79/278283279.db2.gz QJEWENZAWNDINV-FOCJUVANSA-N 1 3 280.843 3.420 20 0 CGADHO CCC[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC1(C)C ZINC000397836777 288031883 /nfs/dbraw/zinc/03/18/83/288031883.db2.gz SRTLVSJPOPCJAX-GJZGRUSLSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC3(C)C)CC2)C1 ZINC000414221135 278352253 /nfs/dbraw/zinc/35/22/53/278352253.db2.gz LOMCTVXDGTXUNI-BPUTZDHNSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC3(C)C)CC2)C1 ZINC000414221135 278352254 /nfs/dbraw/zinc/35/22/54/278352254.db2.gz LOMCTVXDGTXUNI-BPUTZDHNSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423018829 278372651 /nfs/dbraw/zinc/37/26/51/278372651.db2.gz ZXMUMXKETDSDGC-DZGCQCFKSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CCCCC1 ZINC000422883007 288060622 /nfs/dbraw/zinc/06/06/22/288060622.db2.gz UABHHYPHCZLXON-BPUTZDHNSA-N 1 3 252.446 3.323 20 0 CGADHO C1=C(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423054054 288062831 /nfs/dbraw/zinc/06/28/31/288062831.db2.gz UCTCSLSBPWRFMZ-RCCFBDPRSA-N 1 3 292.467 3.014 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000453239161 288079571 /nfs/dbraw/zinc/07/95/71/288079571.db2.gz SEQNTURVADNJQR-CSMYWGQOSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000453239161 288079573 /nfs/dbraw/zinc/07/95/73/288079573.db2.gz SEQNTURVADNJQR-CSMYWGQOSA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)C[C@@H](NCCC[NH3+])c1ccc(Cl)cc1 ZINC000423178296 279001879 /nfs/dbraw/zinc/00/18/79/279001879.db2.gz BQXABHHQCOGXLE-CQSZACIVSA-N 1 3 254.805 3.366 20 0 CGADHO CC[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577971 288098374 /nfs/dbraw/zinc/09/83/74/288098374.db2.gz MSYAPMLYVLQGNU-HOTGVXAUSA-N 1 3 287.451 3.466 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316674 279040370 /nfs/dbraw/zinc/04/03/70/279040370.db2.gz RPOUDGRFPKORLR-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316674 279040371 /nfs/dbraw/zinc/04/03/71/279040371.db2.gz RPOUDGRFPKORLR-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316674 279040372 /nfs/dbraw/zinc/04/03/72/279040372.db2.gz RPOUDGRFPKORLR-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316674 279040373 /nfs/dbraw/zinc/04/03/73/279040373.db2.gz RPOUDGRFPKORLR-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC[C@@H]1CCCCN1C ZINC000348267614 279077882 /nfs/dbraw/zinc/07/78/82/279077882.db2.gz BNHHAFAVTWVWPP-AGIUHOORSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCCCN1C ZINC000348267614 279077884 /nfs/dbraw/zinc/07/78/84/279077884.db2.gz BNHHAFAVTWVWPP-AGIUHOORSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@H](CN1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653809 279320404 /nfs/dbraw/zinc/32/04/04/279320404.db2.gz IJAVNKCMUFJXPD-VXGBXAGGSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653809 279320407 /nfs/dbraw/zinc/32/04/07/279320407.db2.gz IJAVNKCMUFJXPD-VXGBXAGGSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653809 279320409 /nfs/dbraw/zinc/32/04/09/279320409.db2.gz IJAVNKCMUFJXPD-VXGBXAGGSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000472598930 279380829 /nfs/dbraw/zinc/38/08/29/279380829.db2.gz MSFSGMUDWARNJD-QGZVFWFLSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCCC12CCN(C)CC2 ZINC000472598930 279380831 /nfs/dbraw/zinc/38/08/31/279380831.db2.gz MSFSGMUDWARNJD-QGZVFWFLSA-N 1 3 286.463 3.425 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527325346 288166644 /nfs/dbraw/zinc/16/66/44/288166644.db2.gz XXEDOHMBGNMJHY-CRAIPNDOSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000527325346 288166647 /nfs/dbraw/zinc/16/66/47/288166647.db2.gz XXEDOHMBGNMJHY-CRAIPNDOSA-N 1 3 274.452 3.411 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049092740 280758002 /nfs/dbraw/zinc/75/80/02/280758002.db2.gz MJIJZZANCXCEMQ-UONOGXRCSA-N 1 3 261.413 3.075 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584609 288265700 /nfs/dbraw/zinc/26/57/00/288265700.db2.gz DFCNZEHWLINEEM-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584609 288265702 /nfs/dbraw/zinc/26/57/02/288265702.db2.gz DFCNZEHWLINEEM-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO Cc1ccc([C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c(C)c1 ZINC000261837133 281000722 /nfs/dbraw/zinc/00/07/22/281000722.db2.gz RRTOJWKKNCFHSV-IRXDYDNUSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c(C)c1 ZINC000261837133 281000724 /nfs/dbraw/zinc/00/07/24/281000724.db2.gz RRTOJWKKNCFHSV-IRXDYDNUSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837133 281000726 /nfs/dbraw/zinc/00/07/26/281000726.db2.gz RRTOJWKKNCFHSV-IRXDYDNUSA-N 1 3 272.436 3.092 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530207280 288299739 /nfs/dbraw/zinc/29/97/39/288299739.db2.gz CYEMYPGRMVZOQJ-FGYQRGMUSA-N 1 3 290.838 3.085 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530207280 288299740 /nfs/dbraw/zinc/29/97/40/288299740.db2.gz CYEMYPGRMVZOQJ-FGYQRGMUSA-N 1 3 290.838 3.085 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000530209399 288299945 /nfs/dbraw/zinc/29/99/45/288299945.db2.gz HDTRBOLQDWWWGH-GJZGRUSLSA-N 1 3 250.430 3.062 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530179904 288296881 /nfs/dbraw/zinc/29/68/81/288296881.db2.gz YPNLHEWVMUEAET-IRXDYDNUSA-N 1 3 272.436 3.190 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000532198147 288354856 /nfs/dbraw/zinc/35/48/56/288354856.db2.gz GRKXFGIWIVDEAV-IAGOWNOFSA-N 1 3 260.425 3.417 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000414209355 292665407 /nfs/dbraw/zinc/66/54/07/292665407.db2.gz SOUOGTYJKCGBRH-LZLYRXPVSA-N 1 3 296.499 3.292 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)C(C)(C)O ZINC000550894342 289088986 /nfs/dbraw/zinc/08/89/86/289088986.db2.gz DQMLGCLUNWVEPC-XIRDDKMYSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)(C)O ZINC000550894342 289088989 /nfs/dbraw/zinc/08/89/89/289088989.db2.gz DQMLGCLUNWVEPC-XIRDDKMYSA-N 1 3 296.499 3.169 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000337416315 289309156 /nfs/dbraw/zinc/30/91/56/289309156.db2.gz ZLLGOJWTXUKORF-JKJDWNRSSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000554875169 289316048 /nfs/dbraw/zinc/31/60/48/289316048.db2.gz VHGZTHFREHOBLA-DJIMGWMZSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423057515 289773182 /nfs/dbraw/zinc/77/31/82/289773182.db2.gz ZKJCQMKYMZQUDK-HOTGVXAUSA-N 1 3 290.451 3.089 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc2ccccc2c1 ZINC000423393480 290019925 /nfs/dbraw/zinc/01/99/25/290019925.db2.gz MHCVRIPTONCZAD-SUNYJGFJSA-N 1 3 268.404 3.488 20 0 CGADHO CO[C@@]1(C)C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000178208361 294152289 /nfs/dbraw/zinc/15/22/89/294152289.db2.gz HKYOXWRWWDKPRV-PBHICJAKSA-N 1 3 282.472 3.043 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000423144510 295249016 /nfs/dbraw/zinc/24/90/16/295249016.db2.gz HGQDFJMGEDMYDA-ZLIFDBKOSA-N 1 3 276.399 3.310 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC1(C)C)CN1CCCCC1 ZINC000094307664 298791124 /nfs/dbraw/zinc/79/11/24/298791124.db2.gz XCULCVBOQCZGEU-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cccc2c(CC[NH2+][C@H]3CCCC[C@H]3CN)c[nH]c21 ZINC000422782698 302053735 /nfs/dbraw/zinc/05/37/35/302053735.db2.gz LZWSXPYKAKWUBW-YOEHRIQHSA-N 1 3 285.435 3.126 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CC1 ZINC000425932118 302102474 /nfs/dbraw/zinc/10/24/74/302102474.db2.gz ORJHJGQPDMQGQL-KDOFPFPSSA-N 1 3 274.452 3.103 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000423011491 302588715 /nfs/dbraw/zinc/58/87/15/302588715.db2.gz IWNKAVJXHUBSEB-JTQLQIEISA-N 1 3 283.366 3.077 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C(C)(C)C ZINC000162582759 321885152 /nfs/dbraw/zinc/88/51/52/321885152.db2.gz UYXPMVHRQTYLKF-CQSZACIVSA-N 1 3 278.440 3.151 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000563887906 322014455 /nfs/dbraw/zinc/01/44/55/322014455.db2.gz SSSQRLLBTPVLNL-KRWDZBQOSA-N 1 3 270.351 3.062 20 0 CGADHO CCc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000563944447 322015995 /nfs/dbraw/zinc/01/59/95/322015995.db2.gz KAPCRVZJIKMDIN-BBRMVZONSA-N 1 3 278.465 3.275 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)CCc1ccc(F)cc1 ZINC000565298414 322072075 /nfs/dbraw/zinc/07/20/75/322072075.db2.gz GKNCBQNEUNLOMW-CQSZACIVSA-N 1 3 266.404 3.125 20 0 CGADHO CC(C)NCCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000565298414 322072078 /nfs/dbraw/zinc/07/20/78/322072078.db2.gz GKNCBQNEUNLOMW-CQSZACIVSA-N 1 3 266.404 3.125 20 0 CGADHO CCCCCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000565657740 322085531 /nfs/dbraw/zinc/08/55/31/322085531.db2.gz GIZQGBVBIUVSMU-LSDHHAIUSA-N 1 3 278.440 3.471 20 0 CGADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000567627444 322171366 /nfs/dbraw/zinc/17/13/66/322171366.db2.gz RDIOTBYMXPQFKX-NXNVCVFFSA-N 1 3 288.435 3.092 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2F)c2ccccc21 ZINC000567642444 322171561 /nfs/dbraw/zinc/17/15/61/322171561.db2.gz BHHWGKDRAABRLK-IAGOWNOFSA-N 1 3 288.341 3.242 20 0 CGADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H](N)CC(C)C)c1 ZINC000568368463 322206219 /nfs/dbraw/zinc/20/62/19/322206219.db2.gz PXAPXHPJVVQRJM-SJORKVTESA-N 1 3 290.451 3.076 20 0 CGADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H](N)CC(C)C)c1 ZINC000568368463 322206222 /nfs/dbraw/zinc/20/62/22/322206222.db2.gz PXAPXHPJVVQRJM-SJORKVTESA-N 1 3 290.451 3.076 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCC1(OC)CCC1 ZINC000568774468 322222218 /nfs/dbraw/zinc/22/22/18/322222218.db2.gz IIWHUAJMTZOZTP-IAGOWNOFSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)COc1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000569463153 322248165 /nfs/dbraw/zinc/24/81/65/322248165.db2.gz LPHYVXCFRRZBHK-UHFFFAOYSA-N 1 3 290.451 3.282 20 0 CGADHO CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000569501561 322249055 /nfs/dbraw/zinc/24/90/55/322249055.db2.gz FNYFWBKOIFTFFU-STQMWFEESA-N 1 3 282.815 3.098 20 0 CGADHO C[C@H]([NH2+]C1(CF)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000569811692 322257652 /nfs/dbraw/zinc/25/76/52/322257652.db2.gz UHOCCJLBSIMWBY-DOTOQJQBSA-N 1 3 290.426 3.379 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570192830 322267410 /nfs/dbraw/zinc/26/74/10/322267410.db2.gz NEWCEBVYXJTDNA-QLFBSQMISA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570192830 322267412 /nfs/dbraw/zinc/26/74/12/322267412.db2.gz NEWCEBVYXJTDNA-QLFBSQMISA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570192830 322267413 /nfs/dbraw/zinc/26/74/13/322267413.db2.gz NEWCEBVYXJTDNA-QLFBSQMISA-N 1 3 284.513 3.227 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000571275537 322294488 /nfs/dbraw/zinc/29/44/88/322294488.db2.gz GYQKXHVVZUUGLB-SGTLLEGYSA-N 1 3 299.393 3.481 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000571431567 322298765 /nfs/dbraw/zinc/29/87/65/322298765.db2.gz SNECFJHXDVCMQT-RTBURBONSA-N 1 3 295.430 3.356 20 0 CGADHO CC1=CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000572503127 322340679 /nfs/dbraw/zinc/34/06/79/322340679.db2.gz IQTGIGPICSSHCM-ZACQAIPSSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000573249311 322378155 /nfs/dbraw/zinc/37/81/55/322378155.db2.gz DKJPFOFGHXYZAA-JYJNAYRXSA-N 1 3 252.446 3.131 20 0 CGADHO CC1=C[C@@H](C)C[C@H](CN2CCC([NH2+]C(C)C)CC2)C1 ZINC000582777637 329168382 /nfs/dbraw/zinc/16/83/82/329168382.db2.gz RLCPEOBGOZZZGY-ZBFHGGJFSA-N 1 3 264.457 3.441 20 0 CGADHO CC1=C[C@H](C)C[C@@H](CN2CCC([NH2+]C(C)C)CC2)C1 ZINC000582777635 329168402 /nfs/dbraw/zinc/16/84/02/329168402.db2.gz RLCPEOBGOZZZGY-GOEBONIOSA-N 1 3 264.457 3.441 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000582779584 329185303 /nfs/dbraw/zinc/18/53/03/329185303.db2.gz ZHRNBOXKSJEISH-QROZZAMVSA-N 1 3 273.424 3.078 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000582795934 329208004 /nfs/dbraw/zinc/20/80/04/329208004.db2.gz FDUVCLRQLLIMPB-SOUVJXGZSA-N 1 3 278.465 3.335 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527338 335215385 /nfs/dbraw/zinc/21/53/85/335215385.db2.gz XSTYDOCCDGJWKS-VDHUWJSZSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527338 335215386 /nfs/dbraw/zinc/21/53/86/335215386.db2.gz XSTYDOCCDGJWKS-VDHUWJSZSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000576527338 335215388 /nfs/dbraw/zinc/21/53/88/335215388.db2.gz XSTYDOCCDGJWKS-VDHUWJSZSA-N 1 3 272.436 3.308 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)[C@@H]1CCCNC1 ZINC000576861398 335256532 /nfs/dbraw/zinc/25/65/32/335256532.db2.gz FQMQSLGZUUCWQR-XHSDSOJGSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000577562252 335368681 /nfs/dbraw/zinc/36/86/81/335368681.db2.gz WKUFFNQAGYMOEU-QGZVFWFLSA-N 1 3 290.426 3.298 20 0 CGADHO CC(C)=CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177502392 335373371 /nfs/dbraw/zinc/37/33/71/335373371.db2.gz LHZRGFSMVSMFJX-IRXDYDNUSA-N 1 3 294.483 3.164 20 0 CGADHO COc1ccc2oc(CN3CCC(CC[NH3+])CC3)cc2c1 ZINC000580956926 335989414 /nfs/dbraw/zinc/98/94/14/335989414.db2.gz FTIYXFWTCHSHGN-UHFFFAOYSA-N 1 3 288.391 3.002 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCSC1 ZINC000384103134 336122028 /nfs/dbraw/zinc/12/20/28/336122028.db2.gz FLFBGFWPAUSWRC-KFWWJZLASA-N 1 3 270.486 3.030 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccccc3Cl)CC2)C1 ZINC000581954358 336178759 /nfs/dbraw/zinc/17/87/59/336178759.db2.gz URGMINMFEQJWOY-OLZOCXBDSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000581954358 336178760 /nfs/dbraw/zinc/17/87/60/336178760.db2.gz URGMINMFEQJWOY-OLZOCXBDSA-N 1 3 278.827 3.231 20 0 CGADHO CSCc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423059902 533858388 /nfs/dbraw/zinc/85/83/88/533858388.db2.gz NCKPFKBXPQNKJC-CJNGLKHVSA-N 1 3 278.465 3.027 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423361461 533984763 /nfs/dbraw/zinc/98/47/63/533984763.db2.gz GVUSSMUUGXYDLN-RKOFLFEYSA-N 1 3 258.409 3.038 20 0 CGADHO c1csc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192926023 534522239 /nfs/dbraw/zinc/52/22/39/534522239.db2.gz QZGXTPLRAGSLJZ-MRXNPFEDSA-N 1 3 286.444 3.360 20 0 CGADHO c1csc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192926023 534522245 /nfs/dbraw/zinc/52/22/45/534522245.db2.gz QZGXTPLRAGSLJZ-MRXNPFEDSA-N 1 3 286.444 3.360 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191689 522754615 /nfs/dbraw/zinc/75/46/15/522754615.db2.gz YLODYVFVUFLISR-KCXAZCMYSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191689 522754623 /nfs/dbraw/zinc/75/46/23/522754623.db2.gz YLODYVFVUFLISR-KCXAZCMYSA-N 1 3 264.388 3.349 20 0 CGADHO Cc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093453099 534695327 /nfs/dbraw/zinc/69/53/27/534695327.db2.gz HUDFYOCXIXNLOA-KSZLIROESA-N 1 3 272.436 3.048 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000422824507 527176241 /nfs/dbraw/zinc/17/62/41/527176241.db2.gz NWPMQRHOAIGJQZ-ZIAGYGMSSA-N 1 3 266.816 3.087 20 0 CGADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC000423302311 527615132 /nfs/dbraw/zinc/61/51/32/527615132.db2.gz VKOIMXPXVOSIGL-SGFLJFKBSA-N 1 3 290.451 3.147 20 0 CGADHO CC(C)(C)C[C@@H]([NH2+]C[C@@H]1CNCCCO1)c1ccccc1 ZINC000423496758 527694059 /nfs/dbraw/zinc/69/40/59/527694059.db2.gz XNUXLHOSTYIAHD-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@H]1c1ccccc1 ZINC000423220587 527870347 /nfs/dbraw/zinc/87/03/47/527870347.db2.gz YIXNYIDNIDUBEH-HYVNUMGLSA-N 1 3 272.436 3.158 20 0 CGADHO CC1(C)[C@H](NC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423220587 527870355 /nfs/dbraw/zinc/87/03/55/527870355.db2.gz YIXNYIDNIDUBEH-HYVNUMGLSA-N 1 3 272.436 3.158 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449203567 527975318 /nfs/dbraw/zinc/97/53/18/527975318.db2.gz HFOMAROBPZCXDW-WBVHZDCISA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449203567 527975322 /nfs/dbraw/zinc/97/53/22/527975322.db2.gz HFOMAROBPZCXDW-WBVHZDCISA-N 1 3 278.440 3.168 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449203567 527975328 /nfs/dbraw/zinc/97/53/28/527975328.db2.gz HFOMAROBPZCXDW-WBVHZDCISA-N 1 3 278.440 3.168 20 0 CGADHO CC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000358206317 527980352 /nfs/dbraw/zinc/98/03/52/527980352.db2.gz RXTXYGRGPDEJOA-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)c1nc([C@H](C)NCCC[C@@H]2CCC[NH2+]2)cs1 ZINC000423483018 528313178 /nfs/dbraw/zinc/31/31/78/528313178.db2.gz PNHMBZYTPFXRDN-QWHCGFSZSA-N 1 3 281.469 3.449 20 0 CGADHO CCN(CCC[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422790334 528459947 /nfs/dbraw/zinc/45/99/47/528459947.db2.gz TUNXVABYOCQICE-WMZOPIPTSA-N 1 3 289.467 3.010 20 0 CGADHO CC(C)[C@@H](NCC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423344146 528585880 /nfs/dbraw/zinc/58/58/80/528585880.db2.gz FBILERGWOAQDKG-MRXNPFEDSA-N 1 3 280.362 3.171 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424368726 528597009 /nfs/dbraw/zinc/59/70/09/528597009.db2.gz AGUKUNQHCDZHPS-DAXOMENPSA-N 1 3 262.397 3.006 20 0 CGADHO CCCc1csc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000424369401 528661393 /nfs/dbraw/zinc/66/13/93/528661393.db2.gz BKSBBIORXXCIEC-CYBMUJFWSA-N 1 3 293.480 3.060 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000423441956 528690948 /nfs/dbraw/zinc/69/09/48/528690948.db2.gz BLOPYADAFCNIFB-ZFWWWQNUSA-N 1 3 264.413 3.253 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423281771 528953110 /nfs/dbraw/zinc/95/31/10/528953110.db2.gz BPRRNCZSSJULGC-LLVKDONJSA-N 1 3 266.454 3.405 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423406805 529029024 /nfs/dbraw/zinc/02/90/24/529029024.db2.gz VBVQXCUSAXCPRA-OIISXLGYSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423406805 529029028 /nfs/dbraw/zinc/02/90/28/529029028.db2.gz VBVQXCUSAXCPRA-OIISXLGYSA-N 1 3 292.492 3.391 20 0 CGADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423308208 529171975 /nfs/dbraw/zinc/17/19/75/529171975.db2.gz OHFFMBDCJJDXBQ-GXFFZTMASA-N 1 3 290.329 3.221 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(Br)cc1 ZINC000423316486 529178494 /nfs/dbraw/zinc/17/84/94/529178494.db2.gz JQQSTJYYXXIFHQ-UONOGXRCSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)[C@@H]1CCCCN1 ZINC000423411635 529186005 /nfs/dbraw/zinc/18/60/05/529186005.db2.gz GCUVIZJQBSBHSW-AEFFLSMTSA-N 1 3 287.451 3.055 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OC)c1 ZINC000424370170 529202679 /nfs/dbraw/zinc/20/26/79/529202679.db2.gz DFMNSOHDWFVRGM-BZUAXINKSA-N 1 3 262.397 3.006 20 0 CGADHO CC[C@H](CCO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449156165 529331563 /nfs/dbraw/zinc/33/15/63/529331563.db2.gz CSLJJKQQNJAOKN-OAHLLOKOSA-N 1 3 298.515 3.416 20 0 CGADHO C[C@H](NCc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396425247 572484425 /nfs/dbraw/zinc/48/44/25/572484425.db2.gz DGSDYNXASLKHNI-NSHDSACASA-N 1 3 284.806 3.299 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166429956 572817198 /nfs/dbraw/zinc/81/71/98/572817198.db2.gz VBFYZUNPSVOTBA-IAGOWNOFSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166429956 572817202 /nfs/dbraw/zinc/81/72/02/572817202.db2.gz VBFYZUNPSVOTBA-IAGOWNOFSA-N 1 3 286.463 3.489 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000160958625 618201240 /nfs/dbraw/zinc/20/12/40/618201240.db2.gz QRRQBXBMQAHIME-KRWDZBQOSA-N 1 3 286.463 3.426 20 0 CGADHO COCCCC1(C[NH2+]CCCN2CCCCC2)CCC1 ZINC000892460413 618791363 /nfs/dbraw/zinc/79/13/63/618791363.db2.gz BKAQRHAEAZMRNE-UHFFFAOYSA-N 1 3 282.472 3.049 20 0 CGADHO CCSc1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925647075 619105584 /nfs/dbraw/zinc/10/55/84/619105584.db2.gz XMMFSUVYNWQCOY-ZIAGYGMSSA-N 1 3 293.480 3.189 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3C[C@H]([NH3+])C34CCC4)CC2)c(C)c1 ZINC000925677678 619126869 /nfs/dbraw/zinc/12/68/69/619126869.db2.gz AAAZCPHSLSLWMT-DLBZAZTESA-N 1 3 284.447 3.195 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925736302 619210661 /nfs/dbraw/zinc/21/06/61/619210661.db2.gz LSKNLGAXOCPXQB-CRWXNKLISA-N 1 3 286.410 3.178 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)CN1CCCC1 ZINC000094372473 619244889 /nfs/dbraw/zinc/24/48/89/619244889.db2.gz OEBIZUQPOCXGAY-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CNCCC1(F)F ZINC000925783958 619246520 /nfs/dbraw/zinc/24/65/20/619246520.db2.gz QAQITVOGULYGAB-IUODEOHRSA-N 1 3 298.352 3.038 20 0 CGADHO CS[C@@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000235254175 619301006 /nfs/dbraw/zinc/30/10/06/619301006.db2.gz LDKOFNQIWLTXDY-RBDSIQFVSA-N 1 3 262.422 3.005 20 0 CGADHO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000894731786 619615037 /nfs/dbraw/zinc/61/50/37/619615037.db2.gz WGTXIWRYTPSMBG-UHFFFAOYSA-N 1 3 284.831 3.256 20 0 CGADHO CCCSC[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000895479550 619836479 /nfs/dbraw/zinc/83/64/79/619836479.db2.gz PXHATTGWKXZHRG-HOCLYGCPSA-N 1 3 284.513 3.230 20 0 CGADHO CC[C@@H]1C[C@@H](C[NH+]2CCC(CC)(N3CCC3)CC2)CCO1 ZINC000895828503 619890292 /nfs/dbraw/zinc/89/02/92/619890292.db2.gz VPUYFPJKQVUVQX-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)[C@H]1COCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219013 620234800 /nfs/dbraw/zinc/23/48/00/620234800.db2.gz ASGDZHUCVXQXBN-QZTJIDSGSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](CN1CCC([NH2+]C2CCC2)CC1)C(C)(C)C ZINC000897982358 620462249 /nfs/dbraw/zinc/46/22/49/620462249.db2.gz KTBKTAZRGAPUDH-CYBMUJFWSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CC1)c1cc(Cl)cc(Cl)c1 ZINC000902418021 621310395 /nfs/dbraw/zinc/31/03/95/621310395.db2.gz UKDBLHBYOINPDU-MRVPVSSYSA-N 1 3 259.180 3.135 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902477351 621326975 /nfs/dbraw/zinc/32/69/75/621326975.db2.gz SOAJTFSLHTWSNZ-RSJGLCBASA-N 1 3 270.420 3.114 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)CC1)C1CNC1 ZINC000902451159 621330236 /nfs/dbraw/zinc/33/02/36/621330236.db2.gz FUJXWZMOYBHWNT-YXJHDRRASA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902468176 621339586 /nfs/dbraw/zinc/33/95/86/621339586.db2.gz MFDYJHKJKWVLGY-DVWMECQTSA-N 1 3 296.867 3.376 20 0 CGADHO Clc1cccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)c1 ZINC000902468768 621340656 /nfs/dbraw/zinc/34/06/56/621340656.db2.gz VEWBLJQSFZCXJP-BYHHXJKWSA-N 1 3 290.838 3.459 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000902516104 621359411 /nfs/dbraw/zinc/35/94/11/621359411.db2.gz BLAOVPSKWZCLMO-OAGGEKHMSA-N 1 3 278.827 3.057 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000902793593 621449903 /nfs/dbraw/zinc/44/99/03/621449903.db2.gz LCOUAQFJPRZEEL-GVDBMIGSSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000902872004 621475175 /nfs/dbraw/zinc/47/51/75/621475175.db2.gz WAXQRDIFIFVOSZ-IJTOGUNISA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000902971598 621517536 /nfs/dbraw/zinc/51/75/36/621517536.db2.gz XFONGSPTGAGGCV-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903059232 621547708 /nfs/dbraw/zinc/54/77/08/621547708.db2.gz XLVJRJXYLPSAOA-JLYLLQBASA-N 1 3 284.447 3.285 20 0 CGADHO Cc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903059232 621547716 /nfs/dbraw/zinc/54/77/16/621547716.db2.gz XLVJRJXYLPSAOA-JLYLLQBASA-N 1 3 284.447 3.285 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cccnc1 ZINC000903378224 621720955 /nfs/dbraw/zinc/72/09/55/621720955.db2.gz PHBJHUQXDWGBTB-MVJTYMMSSA-N 1 3 287.451 3.243 20 0 CGADHO C[C@H]1C[C@H](c2cccc(F)c2)N(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438977 621748191 /nfs/dbraw/zinc/74/81/91/621748191.db2.gz AAVZPQWHKWPLEI-UICACZKSSA-N 1 3 276.399 3.064 20 0 CGADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCSc1cccc(Cl)c1)C2 ZINC000903842874 621819862 /nfs/dbraw/zinc/81/98/62/621819862.db2.gz WWYMPXLAWGMIKL-UBHSHLNASA-N 1 3 296.867 3.244 20 0 CGADHO CC(C)([NH3+])CCNCc1ccc(Cl)c2cccnc12 ZINC000903938845 621836382 /nfs/dbraw/zinc/83/63/82/621836382.db2.gz MUZXHSYDTOKTKI-UHFFFAOYSA-N 1 3 277.799 3.105 20 0 CGADHO CC(C)(/C=C/Cl)NCc1cc2c(s1)CC[NH2+]C2 ZINC000903988834 621847487 /nfs/dbraw/zinc/84/74/87/621847487.db2.gz YAMKEGOGVCASNY-SNAWJCMRSA-N 1 3 270.829 3.015 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904299975 621901136 /nfs/dbraw/zinc/90/11/36/621901136.db2.gz SSVCFVIXZLFMCL-JTQLQIEISA-N 1 3 286.341 3.323 20 0 CGADHO C[C@]1(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904385703 621917568 /nfs/dbraw/zinc/91/75/68/621917568.db2.gz CBHDXQLRRJMATN-IHRRRGAJSA-N 1 3 290.373 3.041 20 0 CGADHO CC(C)(C[NH3+])C1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000904442097 621922723 /nfs/dbraw/zinc/92/27/23/621922723.db2.gz AGMMNJKGVQOFOI-UHFFFAOYSA-N 1 3 293.480 3.217 20 0 CGADHO Cc1nc(C)c([C@H](C)NCc2ccc(CC[NH3+])cc2)s1 ZINC000070553289 625017410 /nfs/dbraw/zinc/01/74/10/625017410.db2.gz DEWFYZUYMCFYHP-NSHDSACASA-N 1 3 289.448 3.112 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000753661801 626461506 /nfs/dbraw/zinc/46/15/06/626461506.db2.gz HPTDUPSXGDVOIB-HRCADAONSA-N 1 3 290.451 3.445 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000753661801 626461508 /nfs/dbraw/zinc/46/15/08/626461508.db2.gz HPTDUPSXGDVOIB-HRCADAONSA-N 1 3 290.451 3.445 20 0 CGADHO COc1cc(C)c([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000753665385 626461553 /nfs/dbraw/zinc/46/15/53/626461553.db2.gz OAHWYMJUARVJOW-CVEARBPZSA-N 1 3 290.451 3.304 20 0 CGADHO COc1cc(C)c([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665385 626461555 /nfs/dbraw/zinc/46/15/55/626461555.db2.gz OAHWYMJUARVJOW-CVEARBPZSA-N 1 3 290.451 3.304 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCc3ccccc32)CC1 ZINC000759967377 626933478 /nfs/dbraw/zinc/93/34/78/626933478.db2.gz PMWNATNUXLMCEI-DLBZAZTESA-N 1 3 272.436 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)CC1 ZINC000759967377 626933480 /nfs/dbraw/zinc/93/34/80/626933480.db2.gz PMWNATNUXLMCEI-DLBZAZTESA-N 1 3 272.436 3.133 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCN2C)Cc2ccccc21 ZINC000779460501 628414479 /nfs/dbraw/zinc/41/44/79/628414479.db2.gz QIRHGHJAUOVFBG-WBVHZDCISA-N 1 3 272.436 3.480 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCN2C)Cc2ccccc21 ZINC000779460501 628414480 /nfs/dbraw/zinc/41/44/80/628414480.db2.gz QIRHGHJAUOVFBG-WBVHZDCISA-N 1 3 272.436 3.480 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780291314 628478639 /nfs/dbraw/zinc/47/86/39/628478639.db2.gz ANKSMEVAMPWAOF-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780291314 628478641 /nfs/dbraw/zinc/47/86/41/628478641.db2.gz ANKSMEVAMPWAOF-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780291314 628478643 /nfs/dbraw/zinc/47/86/43/628478643.db2.gz ANKSMEVAMPWAOF-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000783291344 628699701 /nfs/dbraw/zinc/69/97/01/628699701.db2.gz OZLHJWWZLQHVGQ-KQTLUZQSSA-N 1 3 250.430 3.028 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000783526111 628720109 /nfs/dbraw/zinc/72/01/09/628720109.db2.gz SFTMYGYAOXLSIK-MRXNPFEDSA-N 1 3 282.497 3.126 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000790746804 629227877 /nfs/dbraw/zinc/22/78/77/629227877.db2.gz AOCNLWCUGMDAIJ-OAHLLOKOSA-N 1 3 292.442 3.468 20 0 CGADHO C[NH+](C)Cc1ccc(-c2cccc([C@@H]3CNCCO3)c2)cc1 ZINC000863691293 629647437 /nfs/dbraw/zinc/64/74/37/629647437.db2.gz ABXIXGXTTRVAEY-IBGZPJMESA-N 1 3 296.414 3.076 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000102423340 634753135 /nfs/dbraw/zinc/75/31/35/634753135.db2.gz YYRWUHHFABUDIX-NWNNTGRJSA-N 1 3 272.436 3.411 20 0 CGADHO C[NH+]1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000798957414 630128484 /nfs/dbraw/zinc/12/84/84/630128484.db2.gz BZBASYMQGMFAKS-UHFFFAOYSA-N 1 3 294.389 3.273 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000843389666 635657363 /nfs/dbraw/zinc/65/73/63/635657363.db2.gz KQGBBXOSJZAZTA-OCCSQVGLSA-N 1 3 298.352 3.104 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2C)C1 ZINC000815560280 631795458 /nfs/dbraw/zinc/79/54/58/631795458.db2.gz CNCIEFSHILVUMD-UONOGXRCSA-N 1 3 264.388 3.127 20 0 CGADHO CC[C@H](NCC[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817937817 632237410 /nfs/dbraw/zinc/23/74/10/632237410.db2.gz XXCJZBQJEAHVSI-SDDRHHMPSA-N 1 3 279.255 3.081 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(Cl)nc1 ZINC000817949513 632245450 /nfs/dbraw/zinc/24/54/50/632245450.db2.gz QQPYEKGURGTQQR-LBPRGKRZSA-N 1 3 289.810 3.087 20 0 CGADHO COc1ccsc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817950763 632247115 /nfs/dbraw/zinc/24/71/15/632247115.db2.gz ZSRZFJKCEHCXGM-LBPRGKRZSA-N 1 3 290.432 3.109 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000817969878 632262877 /nfs/dbraw/zinc/26/28/77/632262877.db2.gz HDKGEZSEWNSNHX-SOUVJXGZSA-N 1 3 276.424 3.233 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000817972223 632265994 /nfs/dbraw/zinc/26/59/94/632265994.db2.gz VGANSJSPKUHJGM-OWLYRPNTSA-N 1 3 272.436 3.443 20 0 CGADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000817983397 632272961 /nfs/dbraw/zinc/27/29/61/632272961.db2.gz BWHLNXPUBLNFES-OFQRWUPVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H](CCc1cccnc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000866338888 633087423 /nfs/dbraw/zinc/08/74/23/633087423.db2.gz ZNAFEQUAFYPDLA-IRXDYDNUSA-N 1 3 289.467 3.257 20 0 CGADHO Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000866396641 633122829 /nfs/dbraw/zinc/12/28/29/633122829.db2.gz AUPNJYJGOBGWQG-FUHWJXTLSA-N 1 3 274.452 3.248 20 0 CGADHO CC(C)[NH+]1CCC(CCN[C@H](C)c2ccc(F)cn2)CC1 ZINC000866467844 633146333 /nfs/dbraw/zinc/14/63/33/633146333.db2.gz RSGJTWDHIYPAEG-CQSZACIVSA-N 1 3 293.430 3.382 20 0 CGADHO CCC[NH+]1CCC(NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824774845 633287406 /nfs/dbraw/zinc/28/74/06/633287406.db2.gz WIOKBIOSZLDTNX-GFCCVEGCSA-N 1 3 279.255 3.034 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)[C@H]1CCCOC1 ZINC000872062231 633983603 /nfs/dbraw/zinc/98/36/03/633983603.db2.gz LQMRLVJMZCCEOG-IKGGRYGDSA-N 1 3 282.472 3.046 20 0 CGADHO [NH3+]CCCCCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000846218562 636161110 /nfs/dbraw/zinc/16/11/10/636161110.db2.gz YRQOLYBIJOBFNK-UHFFFAOYSA-N 1 3 282.378 3.448 20 0 CGADHO CSC(C)(C)CC[N@@H+]1CCCC12CCN(C)CC2 ZINC000877458367 635044403 /nfs/dbraw/zinc/04/44/03/635044403.db2.gz QPNJCALZLBTGBQ-UHFFFAOYSA-N 1 3 270.486 3.078 20 0 CGADHO CSC(C)(C)CC[N@H+]1CCCC12CCN(C)CC2 ZINC000877458367 635044408 /nfs/dbraw/zinc/04/44/08/635044408.db2.gz QPNJCALZLBTGBQ-UHFFFAOYSA-N 1 3 270.486 3.078 20 0 CGADHO CCCCCC[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000841026473 635108328 /nfs/dbraw/zinc/10/83/28/635108328.db2.gz DFLRBGUUZDNEBO-HOCLYGCPSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)[NH+]1CCC(CCNCc2cnc(C3CC3)o2)CC1 ZINC000877696951 635148176 /nfs/dbraw/zinc/14/81/76/635148176.db2.gz COCDHKNICOOZRJ-UHFFFAOYSA-N 1 3 291.439 3.152 20 0 CGADHO C(CC1CC1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285486 635443432 /nfs/dbraw/zinc/44/34/32/635443432.db2.gz AMUBBRUEVUYWPZ-RDJZCZTQSA-N 1 3 262.441 3.125 20 0 CGADHO C(CC1CC1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285486 635443442 /nfs/dbraw/zinc/44/34/42/635443442.db2.gz AMUBBRUEVUYWPZ-RDJZCZTQSA-N 1 3 262.441 3.125 20 0 CGADHO C[C@H]([NH2+]CCCC1CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000878412424 635496282 /nfs/dbraw/zinc/49/62/82/635496282.db2.gz VADIJNPDGXRMFM-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO [NH3+]CCCCCCNCc1ncc(-c2ccccc2)s1 ZINC000843127864 635562462 /nfs/dbraw/zinc/56/24/62/635562462.db2.gz RLBFVMQTBKFYMJ-UHFFFAOYSA-N 1 3 289.448 3.419 20 0 CGADHO [NH3+]CCCCCCNCc1csc(-c2cccs2)n1 ZINC000843128157 635562534 /nfs/dbraw/zinc/56/25/34/635562534.db2.gz UXYYPEZMQXLRAF-UHFFFAOYSA-N 1 3 295.477 3.480 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000844924405 635985820 /nfs/dbraw/zinc/98/58/20/635985820.db2.gz QEQGTOYABXXUCV-COLVAYQJSA-N 1 3 299.821 3.204 20 0 CGADHO CCN(CC)[C@@H](CNC(=[NH2+])NC1CCCCC1)CC(C)C ZINC000849053999 636733355 /nfs/dbraw/zinc/73/33/55/636733355.db2.gz UHUOCTVWZAXMQX-MRXNPFEDSA-N 1 3 296.503 3.190 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccsc2)c2ccccc21 ZINC000132054244 636778102 /nfs/dbraw/zinc/77/81/02/636778102.db2.gz YYFXGLVVAYDUFY-HUUCEWRRSA-N 1 3 258.390 3.025 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+][C@H]3CCC[C@H](N(C)C)C3)cc21 ZINC000850173150 636972366 /nfs/dbraw/zinc/97/23/66/636972366.db2.gz IAXOTVSFWVJRMO-HOCLYGCPSA-N 1 3 285.435 3.439 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000850439730 637065294 /nfs/dbraw/zinc/06/52/94/637065294.db2.gz NXMPRKRRQIXNPV-OTJKEOIZSA-N 1 3 264.457 3.274 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)ccn1 ZINC000850514653 637099335 /nfs/dbraw/zinc/09/93/35/637099335.db2.gz OPBCENSTRHRAOG-RBUKOAKNSA-N 1 3 299.462 3.072 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2c(c1)CCCO2 ZINC000850541115 637114692 /nfs/dbraw/zinc/11/46/92/637114692.db2.gz RVXCHMFFHUUKCB-RHSMWYFYSA-N 1 3 288.435 3.147 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852566012 637680916 /nfs/dbraw/zinc/68/09/16/637680916.db2.gz LCCWHJPJBMXSPP-WMZOPIPTSA-N 1 3 289.467 3.114 20 0 CGADHO c1cnc2cccc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000886874034 637715687 /nfs/dbraw/zinc/71/56/87/637715687.db2.gz FBFZKHBXZQZDQC-IBGZPJMESA-N 1 3 295.430 3.200 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222544 638026246 /nfs/dbraw/zinc/02/62/46/638026246.db2.gz ILRGMHXAHDIIBY-XWTMOSNGSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C(C)(C)CO ZINC000924855511 638415843 /nfs/dbraw/zinc/41/58/43/638415843.db2.gz KLRYANNLCGEZTO-OAHLLOKOSA-N 1 3 296.499 3.028 20 0 CGADHO CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219033 638477422 /nfs/dbraw/zinc/47/74/22/638477422.db2.gz AYWQMDXZQNWVDA-MAUKXSAKSA-N 1 3 296.499 3.313 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2cc(F)ccc2F)C1 ZINC000925529693 638520251 /nfs/dbraw/zinc/52/02/51/638520251.db2.gz LKPARSJXRYJGMF-UONOGXRCSA-N 1 3 282.378 3.003 20 0 CGADHO CC[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(C)c1 ZINC000925575018 638534184 /nfs/dbraw/zinc/53/41/84/638534184.db2.gz FGNMXSGHFWXXPJ-DJIMGWMZSA-N 1 3 288.435 3.012 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccccc3)C1)[NH2+]2 ZINC000925605800 638543959 /nfs/dbraw/zinc/54/39/59/638543959.db2.gz STSPOKBNTAZCNF-NPFDDYGESA-N 1 3 270.420 3.051 20 0 CGADHO C1=CC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925618731 638546494 /nfs/dbraw/zinc/54/64/94/638546494.db2.gz XTUHWFGMAPLQED-XIRDDKMYSA-N 1 3 262.441 3.101 20 0 CGADHO CC(C)=CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925655411 638558371 /nfs/dbraw/zinc/55/83/71/638558371.db2.gz ARHAVTPOCJSWKQ-HOTGVXAUSA-N 1 3 250.430 3.101 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000925661412 638560377 /nfs/dbraw/zinc/56/03/77/638560377.db2.gz DNNWUSNOWKTZRI-NJAFHUGGSA-N 1 3 297.446 3.077 20 0 CGADHO CC1(C)[C@@H](NCCc2ccc3[nH]ccc3c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661412 638560379 /nfs/dbraw/zinc/56/03/79/638560379.db2.gz DNNWUSNOWKTZRI-NJAFHUGGSA-N 1 3 297.446 3.077 20 0 CGADHO Cc1cc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)ccc1Cl ZINC000925674873 638565731 /nfs/dbraw/zinc/56/57/31/638565731.db2.gz DHNCUWZIBZZDRV-CABCVRRESA-N 1 3 278.827 3.050 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC000925734178 638588155 /nfs/dbraw/zinc/58/81/55/638588155.db2.gz NXJGADDBWOASNP-GFCCVEGCSA-N 1 3 273.424 3.080 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccsc1 ZINC000925778903 638610353 /nfs/dbraw/zinc/61/03/53/638610353.db2.gz UYPQIIXFYHODHP-VXGBXAGGSA-N 1 3 274.380 3.034 20 0 CGADHO Cc1cccc(CC[NH2+]C2CCN(CCC(C)C)CC2)n1 ZINC000926329778 638763491 /nfs/dbraw/zinc/76/34/91/638763491.db2.gz VZLYHHHUGVWRFM-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO Cc1cccc(CCNC2CC[NH+](CCC(C)C)CC2)n1 ZINC000926329778 638763493 /nfs/dbraw/zinc/76/34/93/638763493.db2.gz VZLYHHHUGVWRFM-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000926571956 638787039 /nfs/dbraw/zinc/78/70/39/638787039.db2.gz APVJCHQRPYSCHO-IUODEOHRSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000926571956 638787040 /nfs/dbraw/zinc/78/70/40/638787040.db2.gz APVJCHQRPYSCHO-IUODEOHRSA-N 1 3 293.842 3.044 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CCC3(CCC3)O2)CC1 ZINC000926859554 638818295 /nfs/dbraw/zinc/81/82/95/638818295.db2.gz HZGYWIVAMCFPCZ-KRWDZBQOSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926946339 638828257 /nfs/dbraw/zinc/82/82/57/638828257.db2.gz SZWITWRFIXXHRG-GXTWGEPZSA-N 1 3 292.389 3.285 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929283082 638915239 /nfs/dbraw/zinc/91/52/39/638915239.db2.gz MIELNQNPRSWTRD-UHFFFAOYSA-N 1 3 299.418 3.115 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2CF)[C@H](C)C1 ZINC000930001441 638967783 /nfs/dbraw/zinc/96/77/83/638967783.db2.gz VDNVOBYICUKWLI-PBHICJAKSA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2CF)[C@H](C)C1 ZINC000930001441 638967785 /nfs/dbraw/zinc/96/77/85/638967785.db2.gz VDNVOBYICUKWLI-PBHICJAKSA-N 1 3 278.415 3.318 20 0 CGADHO CN1C[C@]2(C)C[NH+](Cc3cnc4ccccc4c3)C[C@@]2(C)C1 ZINC000931314589 639133022 /nfs/dbraw/zinc/13/30/22/639133022.db2.gz PROOHAVPRZUBIH-RTBURBONSA-N 1 3 295.430 3.008 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000931428946 639148910 /nfs/dbraw/zinc/14/89/10/639148910.db2.gz DKXKSWDJGTYIRV-KGLIPLIRSA-N 1 3 298.352 3.089 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000931428946 639148913 /nfs/dbraw/zinc/14/89/13/639148913.db2.gz DKXKSWDJGTYIRV-KGLIPLIRSA-N 1 3 298.352 3.089 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCOc2ccccc2C)[C@@H](C)C1 ZINC000246964080 640702365 /nfs/dbraw/zinc/70/23/65/640702365.db2.gz VBGRHDIVNMUTJG-IRXDYDNUSA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2C)[C@@H](C)C1 ZINC000246964080 640702370 /nfs/dbraw/zinc/70/23/70/640702370.db2.gz VBGRHDIVNMUTJG-IRXDYDNUSA-N 1 3 290.451 3.036 20 0 CGADHO Cc1cc(C)nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001159025917 806035110 /nfs/dbraw/zinc/03/51/10/806035110.db2.gz GQIIEVGALVFMAP-UHFFFAOYSA-N 1 3 293.414 3.297 20 0 CGADHO c1cc(Nc2ccc3c(c2)CC[NH2+]C3)cc(C2CC2)n1 ZINC001159366276 806087330 /nfs/dbraw/zinc/08/73/30/806087330.db2.gz UUFBNTTWNVPLQA-UHFFFAOYSA-N 1 3 265.360 3.348 20 0 CGADHO CCN(CC)CCC[NH2+]C1CCc2ccccc2CC1 ZINC001254449578 806403540 /nfs/dbraw/zinc/40/35/40/806403540.db2.gz WTCAEZLYURYVTM-UHFFFAOYSA-N 1 3 274.452 3.256 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001254504471 806423677 /nfs/dbraw/zinc/42/36/77/806423677.db2.gz BNKOYJUKBUNWNT-BLLLJJGKSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001254504471 806423680 /nfs/dbraw/zinc/42/36/80/806423680.db2.gz BNKOYJUKBUNWNT-BLLLJJGKSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524785 806439247 /nfs/dbraw/zinc/43/92/47/806439247.db2.gz ZIKIQYDVPXAAHJ-HUUCEWRRSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CC[C@@H](c3ccccc3F)C2)CC1 ZINC001254524785 806439251 /nfs/dbraw/zinc/43/92/51/806439251.db2.gz ZIKIQYDVPXAAHJ-HUUCEWRRSA-N 1 3 276.399 3.099 20 0 CGADHO CCCC[C@@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001255328485 806615312 /nfs/dbraw/zinc/61/53/12/806615312.db2.gz BMWKENPZDCNCHS-CQSZACIVSA-N 1 3 270.436 3.463 20 0 CGADHO C[C@@H]1CCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397315 806633306 /nfs/dbraw/zinc/63/33/06/806633306.db2.gz FEJVSPSTPHXXBM-NVXWUHKLSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397315 806633310 /nfs/dbraw/zinc/63/33/10/806633310.db2.gz FEJVSPSTPHXXBM-NVXWUHKLSA-N 1 3 258.409 3.135 20 0 CGADHO C[N@@H+]1CCC[C@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001255489536 806649633 /nfs/dbraw/zinc/64/96/33/806649633.db2.gz OWXMOLHGDUNKID-GOEBONIOSA-N 1 3 298.434 3.118 20 0 CGADHO C[N@H+]1CCC[C@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001255489536 806649636 /nfs/dbraw/zinc/64/96/36/806649636.db2.gz OWXMOLHGDUNKID-GOEBONIOSA-N 1 3 298.434 3.118 20 0 CGADHO CC[NH+](CC)CCCNC1CC(c2ccc(F)cc2)C1 ZINC000036842384 798851943 /nfs/dbraw/zinc/85/19/43/798851943.db2.gz DBIOQVZYRHUNAS-UHFFFAOYSA-N 1 3 278.415 3.393 20 0 CGADHO CCN(CC)CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036842384 798851947 /nfs/dbraw/zinc/85/19/47/798851947.db2.gz DBIOQVZYRHUNAS-UHFFFAOYSA-N 1 3 278.415 3.393 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000093052461 798961362 /nfs/dbraw/zinc/96/13/62/798961362.db2.gz BHZCLCACUMAMEA-CYBMUJFWSA-N 1 3 295.496 3.232 20 0 CGADHO CC(C)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC000096089456 798972434 /nfs/dbraw/zinc/97/24/34/798972434.db2.gz ZVWIFXNLXOLHKQ-UHFFFAOYSA-N 1 3 272.436 3.240 20 0 CGADHO CSc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000383806280 799408541 /nfs/dbraw/zinc/40/85/41/799408541.db2.gz UMWCQCLASNEBKG-LLVKDONJSA-N 1 3 252.427 3.187 20 0 CGADHO CSc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000383806281 799408669 /nfs/dbraw/zinc/40/86/69/799408669.db2.gz UMWCQCLASNEBKG-NSHDSACASA-N 1 3 252.427 3.187 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCNCC1(C)C ZINC000388641808 799455064 /nfs/dbraw/zinc/45/50/64/799455064.db2.gz KHQOKRUOKFKTOO-DOMZBBRYSA-N 1 3 280.843 3.249 20 0 CGADHO c1c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)sc2c1CNCC2 ZINC000687982254 799743552 /nfs/dbraw/zinc/74/35/52/799743552.db2.gz SLVHZBBZSNKLTK-BETUJISGSA-N 1 3 276.449 3.016 20 0 CGADHO c1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)sc2c1CNCC2 ZINC000687982254 799743556 /nfs/dbraw/zinc/74/35/56/799743556.db2.gz SLVHZBBZSNKLTK-BETUJISGSA-N 1 3 276.449 3.016 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647974 799831279 /nfs/dbraw/zinc/83/12/79/799831279.db2.gz KRWGFYWGUYKCCH-ZBFHGGJFSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647974 799831282 /nfs/dbraw/zinc/83/12/82/799831282.db2.gz KRWGFYWGUYKCCH-ZBFHGGJFSA-N 1 3 292.854 3.258 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001255940909 806789560 /nfs/dbraw/zinc/78/95/60/806789560.db2.gz IOFCXHHOIMHPGL-STQMWFEESA-N 1 3 262.388 3.132 20 0 CGADHO CC[N@H+](Cc1cc2c(s1)CCNC2)[C@@H](C)C(C)C ZINC000707122443 799973097 /nfs/dbraw/zinc/97/30/97/799973097.db2.gz OULLNANZVPYQPV-LBPRGKRZSA-N 1 3 266.454 3.260 20 0 CGADHO CC[N@@H+](Cc1cc2c(s1)CCNC2)[C@@H](C)C(C)C ZINC000707122443 799973098 /nfs/dbraw/zinc/97/30/98/799973098.db2.gz OULLNANZVPYQPV-LBPRGKRZSA-N 1 3 266.454 3.260 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCCc1ccccn1 ZINC001255946978 806792997 /nfs/dbraw/zinc/79/29/97/806792997.db2.gz LRKRAIVBVKZOPP-INIZCTEOSA-N 1 3 277.456 3.114 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001255948157 806794167 /nfs/dbraw/zinc/79/41/67/806794167.db2.gz GJITVDAFNZKWTL-XKQJLSEDSA-N 1 3 278.415 3.392 20 0 CGADHO CCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709808070 800019054 /nfs/dbraw/zinc/01/90/54/800019054.db2.gz JUAZHHVRDWYREP-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709808070 800019063 /nfs/dbraw/zinc/01/90/63/800019063.db2.gz JUAZHHVRDWYREP-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001255953958 806796779 /nfs/dbraw/zinc/79/67/79/806796779.db2.gz XLKNPPQDDIDPBN-CXAGYDPISA-N 1 3 278.415 3.003 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1Cc2ccc(F)cc2C1 ZINC001255953958 806796781 /nfs/dbraw/zinc/79/67/81/806796781.db2.gz XLKNPPQDDIDPBN-CXAGYDPISA-N 1 3 278.415 3.003 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccc(F)cc1F ZINC001255952631 806797001 /nfs/dbraw/zinc/79/70/01/806797001.db2.gz VQEOTAJTQQIGKJ-CYBMUJFWSA-N 1 3 284.394 3.217 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001255953959 806797063 /nfs/dbraw/zinc/79/70/63/806797063.db2.gz XLKNPPQDDIDPBN-DYVFJYSZSA-N 1 3 278.415 3.003 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1Cc2ccc(F)cc2C1 ZINC001255953959 806797066 /nfs/dbraw/zinc/79/70/66/806797066.db2.gz XLKNPPQDDIDPBN-DYVFJYSZSA-N 1 3 278.415 3.003 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000714751905 800128197 /nfs/dbraw/zinc/12/81/97/800128197.db2.gz JOQNPVUNDXJMFW-VXGBXAGGSA-N 1 3 278.362 3.311 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@@H](C)C1 ZINC000715511819 800137557 /nfs/dbraw/zinc/13/75/57/800137557.db2.gz LUGJRFFIOPLSCV-DGADGQDISA-N 1 3 252.446 3.274 20 0 CGADHO CSc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000715551887 800138611 /nfs/dbraw/zinc/13/86/11/800138611.db2.gz KZDJGRZMFQUUBP-CABCVRRESA-N 1 3 278.465 3.371 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000716533879 800174734 /nfs/dbraw/zinc/17/47/34/800174734.db2.gz UWEQUHCJGUPXRO-SKHPLXCOSA-N 1 3 256.393 3.013 20 0 CGADHO C1=CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716715870 800178471 /nfs/dbraw/zinc/17/84/71/800178471.db2.gz FAIDMGYIJZVTPG-UHOSZYNNSA-N 1 3 282.431 3.348 20 0 CGADHO [NH3+]CC[C@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000723701596 800337767 /nfs/dbraw/zinc/33/77/67/800337767.db2.gz PDPFKBDVFAEYCU-JTQLQIEISA-N 1 3 290.304 3.015 20 0 CGADHO c1csc(CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903130342 800594506 /nfs/dbraw/zinc/59/45/06/800594506.db2.gz LZJQJLFJNJEAMK-VHRNVKJDSA-N 1 3 290.476 3.428 20 0 CGADHO c1csc(CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903130342 800594508 /nfs/dbraw/zinc/59/45/08/800594508.db2.gz LZJQJLFJNJEAMK-VHRNVKJDSA-N 1 3 290.476 3.428 20 0 CGADHO CC(C)CC[C@@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001256367032 806871037 /nfs/dbraw/zinc/87/10/37/806871037.db2.gz VTFQGMBBHCOFLJ-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)CC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001256367032 806871043 /nfs/dbraw/zinc/87/10/43/806871043.db2.gz VTFQGMBBHCOFLJ-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCOC2CCCCC2)CC1 ZINC001256563860 806916282 /nfs/dbraw/zinc/91/62/82/806916282.db2.gz JAXMDMYAMNEKHB-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)s1 ZINC001256558633 806915551 /nfs/dbraw/zinc/91/55/51/806915551.db2.gz UHRYCSOMQREEQD-UHFFFAOYSA-N 1 3 280.481 3.452 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC001256564340 806916685 /nfs/dbraw/zinc/91/66/85/806916685.db2.gz XHJRILUARXGQOM-UHFFFAOYSA-N 1 3 296.405 3.360 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCc2cc(F)cc(F)c2)CC1 ZINC001256564340 806916687 /nfs/dbraw/zinc/91/66/87/806916687.db2.gz XHJRILUARXGQOM-UHFFFAOYSA-N 1 3 296.405 3.360 20 0 CGADHO CC(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001256616372 806925783 /nfs/dbraw/zinc/92/57/83/806925783.db2.gz RCNMFISNEPBIQM-ZBHOBAHQSA-N 1 3 286.419 3.165 20 0 CGADHO CC(C)CC[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681796 806946900 /nfs/dbraw/zinc/94/69/00/806946900.db2.gz CMZSDAJWCIWNFS-KLAILNCOSA-N 1 3 282.472 3.044 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172381567 808275033 /nfs/dbraw/zinc/27/50/33/808275033.db2.gz FHHIHGHIXKNGDR-DMRKSPOLSA-N 1 3 264.457 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172381567 808275036 /nfs/dbraw/zinc/27/50/36/808275036.db2.gz FHHIHGHIXKNGDR-DMRKSPOLSA-N 1 3 264.457 3.085 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001118020364 802518844 /nfs/dbraw/zinc/51/88/44/802518844.db2.gz VHULVDGUCAMUJH-RYUDHWBXSA-N 1 3 288.357 3.224 20 0 CGADHO C[C@@H]1CCC[C@@H](CN2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001119517265 802675961 /nfs/dbraw/zinc/67/59/61/802675961.db2.gz QIDMSXXDJIDFEK-HZPDHXFCSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]C1CCNCC1 ZINC001246076910 804114162 /nfs/dbraw/zinc/11/41/62/804114162.db2.gz FDVMFMSEHCOENU-QGZVFWFLSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@@H](Cc1ccccc1)N[C@H](C[NH3+])c1ccccc1 ZINC001246077123 804116329 /nfs/dbraw/zinc/11/63/29/804116329.db2.gz QUGXQWUXFQLWHI-ZWKOTPCHSA-N 1 3 268.404 3.297 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+][C@H]1COCCC12CNC2 ZINC001246137333 804160430 /nfs/dbraw/zinc/16/04/30/804160430.db2.gz IIRKQWCTUGKXCV-IRXDYDNUSA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC[C@H](CCCC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246137333 804160439 /nfs/dbraw/zinc/16/04/39/804160439.db2.gz IIRKQWCTUGKXCV-IRXDYDNUSA-N 1 3 296.499 3.484 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246145778 804166360 /nfs/dbraw/zinc/16/63/60/804166360.db2.gz DVDXQNGRJOJBGY-APAOZMKASA-N 1 3 299.245 3.122 20 0 CGADHO CCc1ccc(CC[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC001246161279 804177918 /nfs/dbraw/zinc/17/79/18/804177918.db2.gz ZKLHZTZYZIDXGE-QGZVFWFLSA-N 1 3 272.436 3.056 20 0 CGADHO C[C@@H]1CC([NH2+]CCCc2ccc(Cl)cc2)C[C@@H](C)N1 ZINC001246175311 804189799 /nfs/dbraw/zinc/18/97/99/804189799.db2.gz IKSVKIBTNPUBCX-CHWSQXEVSA-N 1 3 280.843 3.391 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246179060 804192756 /nfs/dbraw/zinc/19/27/56/804192756.db2.gz ZHXRXRDIPMONCD-GJZGRUSLSA-N 1 3 252.446 3.323 20 0 CGADHO CCC(CC)(N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC001246184446 804197232 /nfs/dbraw/zinc/19/72/32/804197232.db2.gz LHSIWTRJHNYJGB-ZBFHGGJFSA-N 1 3 260.425 3.432 20 0 CGADHO CCC(CC)([NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC001246184446 804197235 /nfs/dbraw/zinc/19/72/35/804197235.db2.gz LHSIWTRJHNYJGB-ZBFHGGJFSA-N 1 3 260.425 3.432 20 0 CGADHO Clc1ccc(C2CCC(NC[C@H]3CC[NH2+]3)CC2)cc1 ZINC001246193284 804201547 /nfs/dbraw/zinc/20/15/47/804201547.db2.gz LXAPTFJMZSGFMO-AVVWSFFYSA-N 1 3 278.827 3.318 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246211206 804209287 /nfs/dbraw/zinc/20/92/87/804209287.db2.gz PVUQSKDPTQBWDT-PMPSAXMXSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]1CC([NH2+]CCC2CCCCCC2)C[C@@H](C)N1 ZINC001246236972 804228490 /nfs/dbraw/zinc/22/84/90/804228490.db2.gz DYSNTQGDVIFXRF-ZIAGYGMSSA-N 1 3 252.446 3.466 20 0 CGADHO CCCCOCCC[NH2+][C@@H]1CCN[C@H](CCCC)C1 ZINC001246236008 804229103 /nfs/dbraw/zinc/22/91/03/804229103.db2.gz UJTKAWKJBAIYJC-HZPDHXFCSA-N 1 3 270.461 3.094 20 0 CGADHO C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)CC1CCCC1 ZINC001246240629 804232755 /nfs/dbraw/zinc/23/27/55/804232755.db2.gz SEZKSVRVBYAFHX-ZSHCYNCHSA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282927 804257699 /nfs/dbraw/zinc/25/76/99/804257699.db2.gz ZCCDAVISOCTSPM-LSDHHAIUSA-N 1 3 296.405 3.408 20 0 CGADHO c1ccc([C@H]([NH2+][C@H]2CCCCNC2)C2CCC2)cc1 ZINC001246286974 804260080 /nfs/dbraw/zinc/26/00/80/804260080.db2.gz JBMCMQNHPOHJRG-IRXDYDNUSA-N 1 3 258.409 3.260 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H](C)Cc1ccc(Cl)cc1 ZINC001246306990 804269579 /nfs/dbraw/zinc/26/95/79/804269579.db2.gz CKIXCYPXLMKAKW-WFASDCNBSA-N 1 3 268.832 3.234 20 0 CGADHO CCc1ccc(C[C@@H](C)NC[C@@H]([NH3+])CC(C)C)cc1 ZINC001246313477 804274971 /nfs/dbraw/zinc/27/49/71/804274971.db2.gz UAVNYWVQZVHXHR-PBHICJAKSA-N 1 3 262.441 3.143 20 0 CGADHO C[C@H](CC1CCCCC1)[NH2+]C1C[C@@H](C)N[C@H](C)C1 ZINC001246316209 804277191 /nfs/dbraw/zinc/27/71/91/804277191.db2.gz PZWHHMVYZMQPGT-MGPQQGTHSA-N 1 3 252.446 3.464 20 0 CGADHO CC[C@H]1C[C@H](NCCc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246343608 804295113 /nfs/dbraw/zinc/29/51/13/804295113.db2.gz NDSKWKLSNNRIEZ-QWHCGFSZSA-N 1 3 298.833 3.450 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246344267 804296554 /nfs/dbraw/zinc/29/65/54/804296554.db2.gz QJJDLADJMSRYMH-MSOLQXFVSA-N 1 3 274.452 3.473 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246344267 804296562 /nfs/dbraw/zinc/29/65/62/804296562.db2.gz QJJDLADJMSRYMH-MSOLQXFVSA-N 1 3 274.452 3.473 20 0 CGADHO CC(C)CC1([NH2+][C@@H]2CN[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246371837 804308947 /nfs/dbraw/zinc/30/89/47/804308947.db2.gz WTVHACBCAFSJEP-STQMWFEESA-N 1 3 274.399 3.321 20 0 CGADHO CCc1cc2c(cc1CC)CC([NH2+][C@H]1CCN[C@H](C)C1)C2 ZINC001246378996 804310977 /nfs/dbraw/zinc/31/09/77/804310977.db2.gz ISUSTGUURLEOBQ-ACJLOTCBSA-N 1 3 286.463 3.009 20 0 CGADHO CC1(C)CCC([NH2+]C2(CC3CC3)CCNCC2)CC1 ZINC001246381251 804312926 /nfs/dbraw/zinc/31/29/26/804312926.db2.gz NVQYUPZZJOMNMS-UHFFFAOYSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)C1 ZINC001246387127 804316191 /nfs/dbraw/zinc/31/61/91/804316191.db2.gz BUKSYVJDPZCCGI-RHSMWYFYSA-N 1 3 290.426 3.269 20 0 CGADHO CCC1([NH2+][C@@H](C)Cc2ccccc2Cl)CCNCC1 ZINC001246424293 804327416 /nfs/dbraw/zinc/32/74/16/804327416.db2.gz QFUNUWSODBQPTR-ZDUSSCGKSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444777 804333291 /nfs/dbraw/zinc/33/32/91/804333291.db2.gz BLRQDXLTMDGHLA-ZFWWWQNUSA-N 1 3 250.430 3.077 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246456150 804337739 /nfs/dbraw/zinc/33/77/39/804337739.db2.gz ZUYOGEYMXVSGCM-KURKYZTESA-N 1 3 290.426 3.193 20 0 CGADHO CC[C@H]1CC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246461020 804341122 /nfs/dbraw/zinc/34/11/22/804341122.db2.gz MPRYOPLAUAWDFH-NUEKZKHPSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1cccc([C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C(C)C)c1 ZINC001246472908 804350099 /nfs/dbraw/zinc/35/00/99/804350099.db2.gz FYIYJOQRLVOMIN-DJIMGWMZSA-N 1 3 260.425 3.422 20 0 CGADHO Cc1cccc([C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C(C)C)c1 ZINC001246472908 804350106 /nfs/dbraw/zinc/35/01/06/804350106.db2.gz FYIYJOQRLVOMIN-DJIMGWMZSA-N 1 3 260.425 3.422 20 0 CGADHO C[C@]1(CNC2CCC(Oc3ccccc3)CC2)CCC[NH2+]1 ZINC001246473464 804350945 /nfs/dbraw/zinc/35/09/45/804350945.db2.gz ZGKLODINQJBFRE-VMWRSERWSA-N 1 3 288.435 3.108 20 0 CGADHO CC[C@@H]1CC(NC[C@H]2CNc3ccccc32)C[C@@H](CC)[NH2+]1 ZINC001246476143 804352194 /nfs/dbraw/zinc/35/21/94/804352194.db2.gz WLEHNSRURIYLBF-RRFJBIMHSA-N 1 3 287.451 3.095 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@@H]2CCNCC23CC3)CC1 ZINC001246475787 804353277 /nfs/dbraw/zinc/35/32/77/804353277.db2.gz WYDQURNOMPRRGI-YMAMQOFZSA-N 1 3 264.457 3.323 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246496550 804360927 /nfs/dbraw/zinc/36/09/27/804360927.db2.gz UVBRDFFARPJVKH-OAHLLOKOSA-N 1 3 289.467 3.163 20 0 CGADHO c1ccc(C2CCC([NH2+][C@H](C3CC3)C3CNC3)CC2)cc1 ZINC001246512108 804368426 /nfs/dbraw/zinc/36/84/26/804368426.db2.gz APGDXBCHVNKSIU-XUJQIHCRSA-N 1 3 284.447 3.300 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246521180 804377356 /nfs/dbraw/zinc/37/73/56/804377356.db2.gz XSIWXJVVOGZUNN-BARDWOONSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246521180 804377365 /nfs/dbraw/zinc/37/73/65/804377365.db2.gz XSIWXJVVOGZUNN-BARDWOONSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@]1([NH3+])CCN([C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246531395 804383322 /nfs/dbraw/zinc/38/33/22/804383322.db2.gz QQGBQIQIILJVAI-BBWFWOEESA-N 1 3 258.409 3.136 20 0 CGADHO C[C@]1([NH3+])CCN([C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246531399 804383850 /nfs/dbraw/zinc/38/38/50/804383850.db2.gz QQGBQIQIILJVAI-ULQDDVLXSA-N 1 3 258.409 3.136 20 0 CGADHO CCC[N@H+](CC1CC1)[C@@H]1C[C@@H](CC)N[C@@H](CC)C1 ZINC001246531074 804384284 /nfs/dbraw/zinc/38/42/84/804384284.db2.gz MLPJZSZSDSEBNW-MUJYYYPQSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[N@@H+](CC1CC1)[C@@H]1C[C@@H](CC)N[C@@H](CC)C1 ZINC001246531074 804384291 /nfs/dbraw/zinc/38/42/91/804384291.db2.gz MLPJZSZSDSEBNW-MUJYYYPQSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)Cc2ccccc21 ZINC001246548753 804397335 /nfs/dbraw/zinc/39/73/35/804397335.db2.gz OJBNSMZSUFLPFO-DZGCQCFKSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@]1([NH3+])CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551104 804401113 /nfs/dbraw/zinc/40/11/13/804401113.db2.gz KREDBJWQCDONFB-PBHICJAKSA-N 1 3 294.389 3.025 20 0 CGADHO CC1(F)CC[NH+]([C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246551829 804402012 /nfs/dbraw/zinc/40/20/12/804402012.db2.gz NCDJRABCMIFESO-SJORKVTESA-N 1 3 290.426 3.174 20 0 CGADHO CC1(F)CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246551829 804402016 /nfs/dbraw/zinc/40/20/16/804402016.db2.gz NCDJRABCMIFESO-SJORKVTESA-N 1 3 290.426 3.174 20 0 CGADHO C[C@@H]1CC[NH2+]CCN1C1CCC(c2ccccc2)CC1 ZINC001246553204 804402210 /nfs/dbraw/zinc/40/22/10/804402210.db2.gz SKFHBTSHAIBUAC-FAEJEUNOSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1CC(N2CCC(C)(F)CC2)C[C@@H](CC)[NH2+]1 ZINC001246553739 804404228 /nfs/dbraw/zinc/40/42/28/804404228.db2.gz UJTLJWSCVPJPLL-CHWSQXEVSA-N 1 3 256.409 3.120 20 0 CGADHO Cc1cccc2c1CN([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C2 ZINC001246569591 804417584 /nfs/dbraw/zinc/41/75/84/804417584.db2.gz WQHNANVBOFVTOQ-NVXWUHKLSA-N 1 3 272.436 3.477 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246584849 804427418 /nfs/dbraw/zinc/42/74/18/804427418.db2.gz VPNIUDZHLNBKMZ-MSOLQXFVSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246584849 804427420 /nfs/dbraw/zinc/42/74/20/804427420.db2.gz VPNIUDZHLNBKMZ-MSOLQXFVSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC001246595010 804435141 /nfs/dbraw/zinc/43/51/41/804435141.db2.gz XHENZTMNYQJUTD-RYQLBKOJSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC001246595010 804435144 /nfs/dbraw/zinc/43/51/44/804435144.db2.gz XHENZTMNYQJUTD-RYQLBKOJSA-N 1 3 274.452 3.457 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619925 804454210 /nfs/dbraw/zinc/45/42/10/804454210.db2.gz MTUNAJWKGPXHJE-HLLBOEOZSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC1CCC([N@@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001246629765 804460700 /nfs/dbraw/zinc/46/07/00/804460700.db2.gz ZULPVEQPSQKOGI-BHDPWAOGSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC1CCC([N@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001246629765 804460703 /nfs/dbraw/zinc/46/07/03/804460703.db2.gz ZULPVEQPSQKOGI-BHDPWAOGSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246634747 804464046 /nfs/dbraw/zinc/46/40/46/804464046.db2.gz ORKKLTSVDLQBGP-MAUKXSAKSA-N 1 3 290.426 3.365 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246639370 804467266 /nfs/dbraw/zinc/46/72/66/804467266.db2.gz QQSSQMFKIZMNRF-ROUUACIJSA-N 1 3 296.499 3.293 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246639370 804467268 /nfs/dbraw/zinc/46/72/68/804467268.db2.gz QQSSQMFKIZMNRF-ROUUACIJSA-N 1 3 296.499 3.293 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246639369 804467950 /nfs/dbraw/zinc/46/79/50/804467950.db2.gz QQSSQMFKIZMNRF-QZTJIDSGSA-N 1 3 296.499 3.293 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246639369 804467953 /nfs/dbraw/zinc/46/79/53/804467953.db2.gz QQSSQMFKIZMNRF-QZTJIDSGSA-N 1 3 296.499 3.293 20 0 CGADHO [NH3+]CC12CC(C1)CN2[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246644356 804472071 /nfs/dbraw/zinc/47/20/71/804472071.db2.gz GTDXPGSLFUIEOP-FZBQFSLMSA-N 1 3 270.420 3.136 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCCC12CCNCC2 ZINC001246646217 804473776 /nfs/dbraw/zinc/47/37/76/804473776.db2.gz PAQXGGRNCBVCKO-QGZVFWFLSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CCCC12CCNCC2 ZINC001246646217 804473780 /nfs/dbraw/zinc/47/37/80/804473780.db2.gz PAQXGGRNCBVCKO-QGZVFWFLSA-N 1 3 272.436 3.226 20 0 CGADHO CCC(C)(C)C1CCC(N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246647255 804475012 /nfs/dbraw/zinc/47/50/12/804475012.db2.gz QLGRVNZYRXXVEK-SLTXQBBLSA-N 1 3 264.457 3.275 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654169 804480817 /nfs/dbraw/zinc/48/08/17/804480817.db2.gz VHMKBPJEDFERLZ-WNRNVDISSA-N 1 3 270.420 3.007 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246659008 804484310 /nfs/dbraw/zinc/48/43/10/804484310.db2.gz QEGIBBRPAHOUCS-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246659008 804484313 /nfs/dbraw/zinc/48/43/13/804484313.db2.gz QEGIBBRPAHOUCS-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728454 804500317 /nfs/dbraw/zinc/50/03/17/804500317.db2.gz KBULCGMIWWBDCN-OWSLCNJRSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728454 804500321 /nfs/dbraw/zinc/50/03/21/804500321.db2.gz KBULCGMIWWBDCN-OWSLCNJRSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728455 804500357 /nfs/dbraw/zinc/50/03/57/804500357.db2.gz KBULCGMIWWBDCN-TVFCKZIOSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728455 804500362 /nfs/dbraw/zinc/50/03/62/804500362.db2.gz KBULCGMIWWBDCN-TVFCKZIOSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246774276 804505393 /nfs/dbraw/zinc/50/53/93/804505393.db2.gz FPDFHHNVODUYRX-ZWKOTPCHSA-N 1 3 274.452 3.459 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246774276 804505395 /nfs/dbraw/zinc/50/53/95/804505395.db2.gz FPDFHHNVODUYRX-ZWKOTPCHSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)C[C@H](C)N1 ZINC001246779247 804505803 /nfs/dbraw/zinc/50/58/03/804505803.db2.gz QXCSGBRPHFSCTL-CYGHRXIMSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)C[C@H](C)N1 ZINC001246779247 804505807 /nfs/dbraw/zinc/50/58/07/804505807.db2.gz QXCSGBRPHFSCTL-CYGHRXIMSA-N 1 3 272.436 3.395 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246790864 804512841 /nfs/dbraw/zinc/51/28/41/804512841.db2.gz ICDNARJUWOZREF-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CCCC2(CNC2)C1 ZINC001246790864 804512846 /nfs/dbraw/zinc/51/28/46/804512846.db2.gz ICDNARJUWOZREF-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO COc1cccc([C@H]2CCCCN2[C@@H]2CCC[NH2+]CC2)c1 ZINC001246807643 804525818 /nfs/dbraw/zinc/52/58/18/804525818.db2.gz OOBXFENHNJFKGV-SJLPKXTDSA-N 1 3 288.435 3.364 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)C[C@H]2C)CCN1 ZINC001246811305 804529167 /nfs/dbraw/zinc/52/91/67/804529167.db2.gz SEJFUKXZQHQHBM-ZJIFWQFVSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](C)C[C@H]2C)CCN1 ZINC001246811305 804529172 /nfs/dbraw/zinc/52/91/72/804529172.db2.gz SEJFUKXZQHQHBM-ZJIFWQFVSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCNC1 ZINC001246841209 804550280 /nfs/dbraw/zinc/55/02/80/804550280.db2.gz MZXIULVGMNISPO-ZWKOTPCHSA-N 1 3 274.452 3.329 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC001246841209 804550289 /nfs/dbraw/zinc/55/02/89/804550289.db2.gz MZXIULVGMNISPO-ZWKOTPCHSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844424 804552389 /nfs/dbraw/zinc/55/23/89/804552389.db2.gz JGNYNFUCAGHIRH-CGTJXYLNSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844424 804552396 /nfs/dbraw/zinc/55/23/96/804552396.db2.gz JGNYNFUCAGHIRH-CGTJXYLNSA-N 1 3 272.436 3.397 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844823 804554167 /nfs/dbraw/zinc/55/41/67/804554167.db2.gz CXFDQMVHSXRVLU-GDBMZVCRSA-N 1 3 276.399 3.146 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844823 804554172 /nfs/dbraw/zinc/55/41/72/804554172.db2.gz CXFDQMVHSXRVLU-GDBMZVCRSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC001246847706 804557314 /nfs/dbraw/zinc/55/73/14/804557314.db2.gz LUYXEEMPUDIGMW-BPUTZDHNSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC001246847706 804557319 /nfs/dbraw/zinc/55/73/19/804557319.db2.gz LUYXEEMPUDIGMW-BPUTZDHNSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246847563 804557684 /nfs/dbraw/zinc/55/76/84/804557684.db2.gz UJKYPQYKQVTHTO-RRFJBIMHSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246847563 804557688 /nfs/dbraw/zinc/55/76/88/804557688.db2.gz UJKYPQYKQVTHTO-RRFJBIMHSA-N 1 3 252.446 3.275 20 0 CGADHO COc1cccc([C@H]2CCCN2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246848205 804558922 /nfs/dbraw/zinc/55/89/22/804558922.db2.gz MVFQDOOATYBKCC-CXHZTBPHSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)c1 ZINC001246848205 804558926 /nfs/dbraw/zinc/55/89/26/804558926.db2.gz MVFQDOOATYBKCC-CXHZTBPHSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)c1 ZINC001246848205 804558930 /nfs/dbraw/zinc/55/89/30/804558930.db2.gz MVFQDOOATYBKCC-CXHZTBPHSA-N 1 3 288.435 3.361 20 0 CGADHO C[N@H+](CCC1CC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246864587 804567444 /nfs/dbraw/zinc/56/74/44/804567444.db2.gz UKRKJKCFHBDTGU-HNNXBMFYSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@@H+](CCC1CC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246864587 804567450 /nfs/dbraw/zinc/56/74/50/804567450.db2.gz UKRKJKCFHBDTGU-HNNXBMFYSA-N 1 3 250.430 3.173 20 0 CGADHO C1CC2(C1)C[C@H]([NH+]1CCCCCCCC1)CCN2 ZINC001246919114 804600081 /nfs/dbraw/zinc/60/00/81/804600081.db2.gz IWFYSTBZEQDIAL-OAHLLOKOSA-N 1 3 250.430 3.317 20 0 CGADHO CCCCC[C@H](C)[N@H+](CCOCC)C1CCNCC1 ZINC001246952013 804616006 /nfs/dbraw/zinc/61/60/06/804616006.db2.gz XJNSFYZMICZHGY-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCC[C@H](C)[N@@H+](CCOCC)C1CCNCC1 ZINC001246952013 804616009 /nfs/dbraw/zinc/61/60/09/804616009.db2.gz XJNSFYZMICZHGY-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1cccc(CN(C2CC2)[C@H]2CCC[NH2+]CC2)c1C ZINC001246967707 804621032 /nfs/dbraw/zinc/62/10/32/804621032.db2.gz NWBLAUXSJSHAIA-KRWDZBQOSA-N 1 3 272.436 3.410 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001247001784 804635971 /nfs/dbraw/zinc/63/59/71/804635971.db2.gz LFNOGNJVSJIVHA-YQQAZPJKSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001247001784 804635973 /nfs/dbraw/zinc/63/59/73/804635973.db2.gz LFNOGNJVSJIVHA-YQQAZPJKSA-N 1 3 258.409 3.272 20 0 CGADHO C[NH+](C)CCCc1cccc(CN2CCCCC2)c1F ZINC001250164677 805453397 /nfs/dbraw/zinc/45/33/97/805453397.db2.gz TWNLYTRWAVUURU-UHFFFAOYSA-N 1 3 278.415 3.306 20 0 CGADHO C[C@@H]1CC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001257080158 807045290 /nfs/dbraw/zinc/04/52/90/807045290.db2.gz HYZNKVMPWXFEEL-CHWSQXEVSA-N 1 3 282.472 3.183 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001258015162 807266092 /nfs/dbraw/zinc/26/60/92/807266092.db2.gz YSOIIZHCRZUNQL-SFHVURJKSA-N 1 3 287.451 3.339 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001258015162 807266098 /nfs/dbraw/zinc/26/60/98/807266098.db2.gz YSOIIZHCRZUNQL-SFHVURJKSA-N 1 3 287.451 3.339 20 0 CGADHO CC(C)CN1CCC([NH+]2CC3(C2)CCCCC3)CC1 ZINC001258017954 807266218 /nfs/dbraw/zinc/26/62/18/807266218.db2.gz QMPHGNHUNRIMTN-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO C1=C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167975097 807291107 /nfs/dbraw/zinc/29/11/07/807291107.db2.gz GXDSJBIKCXPOQB-XYTVBORESA-N 1 3 260.425 3.090 20 0 CGADHO C1=C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975097 807291112 /nfs/dbraw/zinc/29/11/12/807291112.db2.gz GXDSJBIKCXPOQB-XYTVBORESA-N 1 3 260.425 3.090 20 0 CGADHO C1=CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167975903 807291347 /nfs/dbraw/zinc/29/13/47/807291347.db2.gz ZUCWBSFMUVWJEF-XYTVBORESA-N 1 3 260.425 3.090 20 0 CGADHO [NH3+][C@@H]1CCN(C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168334791 807387500 /nfs/dbraw/zinc/38/75/00/807387500.db2.gz WZEMGQKUTICNPT-OGVSOVDVSA-N 1 3 278.827 3.399 20 0 CGADHO Cc1ncccc1[C@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC001168368349 807396571 /nfs/dbraw/zinc/39/65/71/807396571.db2.gz IYMDFMQYQPPMHP-LJQANCHMSA-N 1 3 299.462 3.305 20 0 CGADHO C[C@H](CC1CC1)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258453077 807457978 /nfs/dbraw/zinc/45/79/78/807457978.db2.gz IFVJYFNHODPZAB-CQSZACIVSA-N 1 3 258.409 3.125 20 0 CGADHO C[C@@H](CC1CC1)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258453095 807459729 /nfs/dbraw/zinc/45/97/29/807459729.db2.gz IQSFJBHRUDVSKT-ZDUSSCGKSA-N 1 3 276.399 3.264 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CC(C)(C)C1 ZINC001258702863 807557206 /nfs/dbraw/zinc/55/72/06/807557206.db2.gz DIPFJMQJHXBPSG-LSDHHAIUSA-N 1 3 264.457 3.229 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169078815 807568020 /nfs/dbraw/zinc/56/80/20/807568020.db2.gz HMVMNNIRFURPEH-QDMKHBRRSA-N 1 3 298.352 3.420 20 0 CGADHO CCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169091163 807570924 /nfs/dbraw/zinc/57/09/24/807570924.db2.gz OMFONSJJTSVSHT-OSYLJGHBSA-N 1 3 288.435 3.190 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C1CC1)C2 ZINC001169091863 807572089 /nfs/dbraw/zinc/57/20/89/807572089.db2.gz WNPDYNAPHPJRDP-OSYLJGHBSA-N 1 3 270.420 3.279 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169096745 807573938 /nfs/dbraw/zinc/57/39/38/807573938.db2.gz YCAIUNXZXGBYCR-BJWYYQGGSA-N 1 3 288.435 3.189 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169100247 807575548 /nfs/dbraw/zinc/57/55/48/807575548.db2.gz HIXSCWOEUTUUIN-CUSZFKRNSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100247 807575552 /nfs/dbraw/zinc/57/55/52/807575552.db2.gz HIXSCWOEUTUUIN-CUSZFKRNSA-N 1 3 270.420 3.197 20 0 CGADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001169123846 807585239 /nfs/dbraw/zinc/58/52/39/807585239.db2.gz KVKIHOKUWBMKHH-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146116 807593211 /nfs/dbraw/zinc/59/32/11/807593211.db2.gz OSXSJOQZJYLDAV-DZJNRPSUSA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146116 807593214 /nfs/dbraw/zinc/59/32/14/807593214.db2.gz OSXSJOQZJYLDAV-DZJNRPSUSA-N 1 3 288.410 3.240 20 0 CGADHO CCCN1CCC([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001258775654 807606038 /nfs/dbraw/zinc/60/60/38/807606038.db2.gz XSIIYSARBVOMHX-ZBFHGGJFSA-N 1 3 250.430 3.125 20 0 CGADHO CCCN1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001258775654 807606039 /nfs/dbraw/zinc/60/60/39/807606039.db2.gz XSIIYSARBVOMHX-ZBFHGGJFSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@@H](Cc1ccccc1)N1CCC([NH+](C)C)CC1 ZINC001258844934 807656080 /nfs/dbraw/zinc/65/60/80/807656080.db2.gz ULKNLLFFWFVJBD-INIZCTEOSA-N 1 3 260.425 3.034 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC001170113880 807762765 /nfs/dbraw/zinc/76/27/65/807762765.db2.gz XFTDMELBDZAXKY-DZGCQCFKSA-N 1 3 250.430 3.172 20 0 CGADHO CCN(CCC[NH+](C)C)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715560 807882550 /nfs/dbraw/zinc/88/25/50/807882550.db2.gz LZGMZFGFUIOEBS-OAHLLOKOSA-N 1 3 296.405 3.096 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171398615 808045645 /nfs/dbraw/zinc/04/56/45/808045645.db2.gz YZHLPNBLRMAFQN-INIZCTEOSA-N 1 3 292.442 3.395 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC001172099769 808172040 /nfs/dbraw/zinc/17/20/40/808172040.db2.gz KAWVLEHLJMPVLX-OSMBCOQSSA-N 1 3 276.399 3.492 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC001172099769 808172041 /nfs/dbraw/zinc/17/20/41/808172041.db2.gz KAWVLEHLJMPVLX-OSMBCOQSSA-N 1 3 276.399 3.492 20 0 CGADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(O)cc1 ZINC001172105425 808177307 /nfs/dbraw/zinc/17/73/07/808177307.db2.gz HWCOPVRTRDVOSL-HNKHHVNMSA-N 1 3 274.408 3.058 20 0 CGADHO C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172105425 808177310 /nfs/dbraw/zinc/17/73/10/808177310.db2.gz HWCOPVRTRDVOSL-HNKHHVNMSA-N 1 3 274.408 3.058 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1ccncc1)C1CC1)C2 ZINC001172110787 808178076 /nfs/dbraw/zinc/17/80/76/808178076.db2.gz PECRUPUIWWTKII-MHORFTMASA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1ccncc1)C1CC1)C2 ZINC001172110787 808178082 /nfs/dbraw/zinc/17/80/82/808178082.db2.gz PECRUPUIWWTKII-MHORFTMASA-N 1 3 285.435 3.138 20 0 CGADHO CC(C)[NH+]1CCC(N[C@H]2CSc3ccccc3C2)CC1 ZINC001172189291 808192535 /nfs/dbraw/zinc/19/25/35/808192535.db2.gz DPYJOPMIEWWCEO-MRXNPFEDSA-N 1 3 290.476 3.166 20 0 CGADHO CCOCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172416427 808300774 /nfs/dbraw/zinc/30/07/74/808300774.db2.gz MNGVZORJQKTJDJ-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)CCOCC(C)C ZINC001172456635 808327963 /nfs/dbraw/zinc/32/79/63/808327963.db2.gz GTPAOUOQKAOSTG-MRXNPFEDSA-N 1 3 272.477 3.149 20 0 CGADHO CCC[N@H+](CCCN)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546086 808375102 /nfs/dbraw/zinc/37/51/02/808375102.db2.gz JPHCMQCGZWKHRA-IAGOWNOFSA-N 1 3 260.425 3.384 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172546086 808375109 /nfs/dbraw/zinc/37/51/09/808375109.db2.gz JPHCMQCGZWKHRA-IAGOWNOFSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@H](C[NH3+])CN(C)[C@H](C)CSc1ccc(Cl)cc1 ZINC001172881290 808475129 /nfs/dbraw/zinc/47/51/29/808475129.db2.gz ZTMDXWOCLFDXIV-VXGBXAGGSA-N 1 3 286.872 3.347 20 0 CGADHO CCCOC1CCC([NH2+]CCCN(CC)CC)CC1 ZINC001173083804 808503540 /nfs/dbraw/zinc/50/35/40/808503540.db2.gz DLPDKLKWZJIWRE-UHFFFAOYSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1nc2ccc(Nc3cc[nH+]c(N(C)C)c3)cc2[nH]1 ZINC001213072324 815221387 /nfs/dbraw/zinc/22/13/87/815221387.db2.gz NOTJSDDQKCEVBQ-UHFFFAOYSA-N 1 3 267.336 3.076 20 0 CGADHO COC(=O)CCCC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001173438057 808634630 /nfs/dbraw/zinc/63/46/30/808634630.db2.gz WCBOIPMHJHOTRJ-ZDUSSCGKSA-N 1 3 298.471 3.089 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)ccc1O ZINC001275306144 808928892 /nfs/dbraw/zinc/92/88/92/808928892.db2.gz BFJOPANXGVFTSY-GOSISDBHSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)ccc1O ZINC001275306144 808928897 /nfs/dbraw/zinc/92/88/97/808928897.db2.gz BFJOPANXGVFTSY-GOSISDBHSA-N 1 3 288.435 3.008 20 0 CGADHO C[N@@H+]1CCC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC001275302624 808928918 /nfs/dbraw/zinc/92/89/18/808928918.db2.gz IAULUDJARWHWDY-UHFFFAOYSA-N 1 3 278.827 3.258 20 0 CGADHO C[N@H+]1CCC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC001275302624 808928924 /nfs/dbraw/zinc/92/89/24/808928924.db2.gz IAULUDJARWHWDY-UHFFFAOYSA-N 1 3 278.827 3.258 20 0 CGADHO Cc1ccsc1CN1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001275859601 808971349 /nfs/dbraw/zinc/97/13/49/808971349.db2.gz NCAPKVWUMAZZCP-INIZCTEOSA-N 1 3 278.465 3.364 20 0 CGADHO Cc1ccsc1CN1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275859601 808971351 /nfs/dbraw/zinc/97/13/51/808971351.db2.gz NCAPKVWUMAZZCP-INIZCTEOSA-N 1 3 278.465 3.364 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(C)c(C)c3)(C1)CCC2 ZINC001275967470 808980402 /nfs/dbraw/zinc/98/04/02/808980402.db2.gz QWECHKOBBVPXJO-ZWKOTPCHSA-N 1 3 272.436 3.458 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2ccoc21 ZINC001276791571 809031191 /nfs/dbraw/zinc/03/11/91/809031191.db2.gz ZLLPFQHGPILNLT-MQVJKMGUSA-N 1 3 270.376 3.148 20 0 CGADHO Cn1ccc2ccc(C[N@H+]3CCC[C@@]4(CCN(C)C4)C3)cc21 ZINC001276846754 809038620 /nfs/dbraw/zinc/03/86/20/809038620.db2.gz WDRSKRNHBUFBEK-IBGZPJMESA-N 1 3 297.446 3.096 20 0 CGADHO Cn1ccc2ccc(C[N@@H+]3CCC[C@@]4(CCN(C)C4)C3)cc21 ZINC001276846754 809038625 /nfs/dbraw/zinc/03/86/25/809038625.db2.gz WDRSKRNHBUFBEK-IBGZPJMESA-N 1 3 297.446 3.096 20 0 CGADHO Cc1cnccc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001174537336 809069756 /nfs/dbraw/zinc/06/97/56/809069756.db2.gz CEOOKWKCOOOTRF-UHFFFAOYSA-N 1 3 267.376 3.151 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC001175399351 809391799 /nfs/dbraw/zinc/39/17/99/809391799.db2.gz KNMPGJUKZNUHKI-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO CN1CCC=C(Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC001175578937 809460136 /nfs/dbraw/zinc/46/01/36/809460136.db2.gz LIKQCTLEZCHFTP-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO C[C@H]1CN(CCCC2CCC2)CCN1c1cc[nH+]cc1 ZINC001175774829 809540220 /nfs/dbraw/zinc/54/02/20/809540220.db2.gz KKOYUGJBKZAPHP-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]1C[N@H+](CCCC2CCC2)CCN1c1ccncc1 ZINC001175774829 809540226 /nfs/dbraw/zinc/54/02/26/809540226.db2.gz KKOYUGJBKZAPHP-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]1C[N@@H+](CCCC2CCC2)CCN1c1ccncc1 ZINC001175774829 809540233 /nfs/dbraw/zinc/54/02/33/809540233.db2.gz KKOYUGJBKZAPHP-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC001178620681 809879800 /nfs/dbraw/zinc/87/98/00/809879800.db2.gz RGNNHOLOQACRIV-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001179159027 809907271 /nfs/dbraw/zinc/90/72/71/809907271.db2.gz HMIGWELXBNVSGE-QGZVFWFLSA-N 1 3 286.463 3.387 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC001179159026 809907326 /nfs/dbraw/zinc/90/73/26/809907326.db2.gz HMIGWELXBNVSGE-KRWDZBQOSA-N 1 3 286.463 3.387 20 0 CGADHO CCSc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC001179815164 809947337 /nfs/dbraw/zinc/94/73/37/809947337.db2.gz DZNYSYABVBVZKI-BHYGNILZSA-N 1 3 290.476 3.228 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@H]2C1 ZINC001179817920 809949020 /nfs/dbraw/zinc/94/90/20/809949020.db2.gz SJFUIPGSQVUKHU-SLFFLAALSA-N 1 3 298.474 3.459 20 0 CGADHO CNc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924498 809959065 /nfs/dbraw/zinc/95/90/65/809959065.db2.gz INNOPPQWWVDCRT-LPHOPBHVSA-N 1 3 299.462 3.177 20 0 CGADHO CNc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179924498 809959067 /nfs/dbraw/zinc/95/90/67/809959067.db2.gz INNOPPQWWVDCRT-LPHOPBHVSA-N 1 3 299.462 3.177 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC001184418425 810198407 /nfs/dbraw/zinc/19/84/07/810198407.db2.gz OMALBJWKEXBAET-QAPCUYQASA-N 1 3 274.452 3.254 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCN(CC)CC)C1 ZINC001184418922 810199213 /nfs/dbraw/zinc/19/92/13/810199213.db2.gz VDVFKPKAQUMRGR-BZUAXINKSA-N 1 3 270.461 3.044 20 0 CGADHO CCCC[N@H+](C[C@H](O)C1CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544776 811352239 /nfs/dbraw/zinc/35/22/39/811352239.db2.gz IJMVRDIPMAIDNC-INIZCTEOSA-N 1 3 296.499 3.169 20 0 CGADHO CCCC[N@@H+](C[C@H](O)C1CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544776 811352250 /nfs/dbraw/zinc/35/22/50/811352250.db2.gz IJMVRDIPMAIDNC-INIZCTEOSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001197031578 811391358 /nfs/dbraw/zinc/39/13/58/811391358.db2.gz MHPHQHUTUQNFGO-NIKGAXFTSA-N 1 3 284.447 3.262 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC001197031578 811391364 /nfs/dbraw/zinc/39/13/64/811391364.db2.gz MHPHQHUTUQNFGO-NIKGAXFTSA-N 1 3 284.447 3.262 20 0 CGADHO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201511385 811876437 /nfs/dbraw/zinc/87/64/37/811876437.db2.gz LDCMOWZDSZMBTD-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@H](C)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201511385 811876443 /nfs/dbraw/zinc/87/64/43/811876443.db2.gz LDCMOWZDSZMBTD-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC1CCOCC1 ZINC001202663997 812148838 /nfs/dbraw/zinc/14/88/38/812148838.db2.gz GHHAMKFDPYISMY-ROUUACIJSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC1CCOCC1 ZINC001202663997 812148841 /nfs/dbraw/zinc/14/88/41/812148841.db2.gz GHHAMKFDPYISMY-ROUUACIJSA-N 1 3 294.483 3.142 20 0 CGADHO C(CN1CCCC1)[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001202740066 812163434 /nfs/dbraw/zinc/16/34/34/812163434.db2.gz RTRQOAIBAGPOKJ-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO C(CN1CCCC1)[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001202740066 812163438 /nfs/dbraw/zinc/16/34/38/812163438.db2.gz RTRQOAIBAGPOKJ-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO c1ccc(C[N@@H+]2C[C@H]3CN(CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202775247 812170776 /nfs/dbraw/zinc/17/07/76/812170776.db2.gz AURLBNKVPZCGNG-RTBURBONSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@H+]2C[C@H]3CN(CC4CCC4)CC[C@@H]3C2)cc1 ZINC001202775247 812170781 /nfs/dbraw/zinc/17/07/81/812170781.db2.gz AURLBNKVPZCGNG-RTBURBONSA-N 1 3 284.447 3.240 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@@](C)(N)C2)C1(C)C ZINC001204937491 812785358 /nfs/dbraw/zinc/78/53/58/812785358.db2.gz CTGPRDHIMPNKNG-GDBMZVCRSA-N 1 3 250.430 3.182 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@@](C)(N)C2)C1(C)C ZINC001204937491 812785363 /nfs/dbraw/zinc/78/53/63/812785363.db2.gz CTGPRDHIMPNKNG-GDBMZVCRSA-N 1 3 250.430 3.182 20 0 CGADHO C[C@H]1c2ccccc2CCN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001205164661 812896107 /nfs/dbraw/zinc/89/61/07/812896107.db2.gz LKQIJIJNDFKUEJ-AWEZNQCLSA-N 1 3 278.399 3.409 20 0 CGADHO c1cc2n(c1CN1CCC3(CCCCC3)CC1)CC[NH2+]C2 ZINC001205171322 812897394 /nfs/dbraw/zinc/89/73/94/812897394.db2.gz NBDVJHVPJSVRPM-UHFFFAOYSA-N 1 3 287.451 3.138 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2c[nH]c3c2cccc3F)CC1 ZINC001205264322 812922279 /nfs/dbraw/zinc/92/22/79/812922279.db2.gz KKUUGLOFFFZIOW-MRXNPFEDSA-N 1 3 275.371 3.010 20 0 CGADHO CC1=CC[C@@H](CCN2CCC(F)(F)[C@@H](C[NH3+])C2)C1(C)C ZINC001205735086 813064677 /nfs/dbraw/zinc/06/46/77/813064677.db2.gz JYWYIOKLJXFMGW-KBPBESRZSA-N 1 3 286.410 3.285 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC001205901620 813123130 /nfs/dbraw/zinc/12/31/30/813123130.db2.gz DROJKBBJZBKPRD-YPMHNXCESA-N 1 3 286.341 3.265 20 0 CGADHO CC(C)COc1ccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901759 813124491 /nfs/dbraw/zinc/12/44/91/813124491.db2.gz GAZRHDWGWMUIPS-DOTOQJQBSA-N 1 3 290.451 3.281 20 0 CGADHO CCn1ccc2ccc(CN3CCC[C@@H](C[NH3+])[C@@H]3C)cc21 ZINC001205905234 813127744 /nfs/dbraw/zinc/12/77/44/813127744.db2.gz ZKRFZJFXENCRLB-YOEHRIQHSA-N 1 3 285.435 3.220 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@H](C[NH3+])[C@@H]3C)ccc2n1 ZINC001205912933 813129142 /nfs/dbraw/zinc/12/91/42/813129142.db2.gz DYAZYWCHXWMMJZ-WMLDXEAASA-N 1 3 283.419 3.102 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc2ccsc2c1 ZINC001205913210 813130057 /nfs/dbraw/zinc/13/00/57/813130057.db2.gz HPPXZQLAYQASGO-DOMZBBRYSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914734 813131246 /nfs/dbraw/zinc/13/12/46/813131246.db2.gz NCSGKKXPQCPLHC-GDBMZVCRSA-N 1 3 290.451 3.423 20 0 CGADHO [NH3+][C@H]1CCN(Cc2cc3ccccc3s2)CC[C@@H]1F ZINC001206163664 813221593 /nfs/dbraw/zinc/22/15/93/813221593.db2.gz DPVQBJRYKXWLTK-KBPBESRZSA-N 1 3 278.396 3.163 20 0 CGADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1F ZINC001206184280 813230617 /nfs/dbraw/zinc/23/06/17/813230617.db2.gz IDVLZCIKNQVVRO-HOTGVXAUSA-N 1 3 288.366 3.208 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1F ZINC001206184280 813230625 /nfs/dbraw/zinc/23/06/25/813230625.db2.gz IDVLZCIKNQVVRO-HOTGVXAUSA-N 1 3 288.366 3.208 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2coc3ccccc23)C1 ZINC001206556640 813352626 /nfs/dbraw/zinc/35/26/26/813352626.db2.gz UNWYYNIZUMAZCD-QGZVFWFLSA-N 1 3 272.392 3.384 20 0 CGADHO CC(C)[N@H+](CC1CCCCC1)[C@@H]1CCCNCC1 ZINC001206583467 813363606 /nfs/dbraw/zinc/36/36/06/813363606.db2.gz VAMURLJVUCFXBP-MRXNPFEDSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[N@@H+](CC1CCCCC1)[C@@H]1CCCNCC1 ZINC001206583467 813363616 /nfs/dbraw/zinc/36/36/16/813363616.db2.gz VAMURLJVUCFXBP-MRXNPFEDSA-N 1 3 252.446 3.419 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H](CN)CC[C@@H]2C)CC1 ZINC001206760714 813425818 /nfs/dbraw/zinc/42/58/18/813425818.db2.gz KLPCVBWMXUACEU-VGWMRTNUSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H](CN)CC[C@@H]2C)CC1 ZINC001206760714 813425821 /nfs/dbraw/zinc/42/58/21/813425821.db2.gz KLPCVBWMXUACEU-VGWMRTNUSA-N 1 3 250.430 3.038 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CCC2(CC[C@@H](F)C2)CC1 ZINC001207283088 813534789 /nfs/dbraw/zinc/53/47/89/813534789.db2.gz RFMCLMWACIEGJC-CQSZACIVSA-N 1 3 270.436 3.178 20 0 CGADHO Cc1ccc(CC[NH+]2CCC(C)(N3CCC3)CC2)cc1C ZINC001207294472 813537457 /nfs/dbraw/zinc/53/74/57/813537457.db2.gz QWYUBWYUDIBHFY-UHFFFAOYSA-N 1 3 286.463 3.406 20 0 CGADHO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001207838143 813658553 /nfs/dbraw/zinc/65/85/53/813658553.db2.gz WIQITCZOEIIEMI-OBVSXPTNSA-N 1 3 276.468 3.441 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001207836232 813658600 /nfs/dbraw/zinc/65/86/00/813658600.db2.gz HUKWPOWGGNCXIQ-DNNBLBMLSA-N 1 3 292.854 3.201 20 0 CGADHO Cc1ccc(C[N@@H+]2CCN[C@H](C)CC2)c2ccccc12 ZINC001210474227 814478144 /nfs/dbraw/zinc/47/81/44/814478144.db2.gz DZPJUQSRGVDNBW-OAHLLOKOSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@H+]2CCN[C@H](C)CC2)c2ccccc12 ZINC001210474227 814478149 /nfs/dbraw/zinc/47/81/49/814478149.db2.gz DZPJUQSRGVDNBW-OAHLLOKOSA-N 1 3 268.404 3.332 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222230739 816379582 /nfs/dbraw/zinc/37/95/82/816379582.db2.gz CQBLSYKDQVFNAT-SJLPKXTDSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222230739 816379591 /nfs/dbraw/zinc/37/95/91/816379591.db2.gz CQBLSYKDQVFNAT-SJLPKXTDSA-N 1 3 296.499 3.172 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452603 816448407 /nfs/dbraw/zinc/44/84/07/816448407.db2.gz HQTNWOFBTSWTTF-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO Cc1ccc2[nH]c(CN3CCC4(CCC[NH2+]C4)CC3)cc2c1 ZINC001222452262 816448539 /nfs/dbraw/zinc/44/85/39/816448539.db2.gz DLTJVGOABRYWRE-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO Cc1ccc2[nH]cc(CN3CCC4(CCC[NH2+]C4)CC3)c2c1 ZINC001222453171 816448723 /nfs/dbraw/zinc/44/87/23/816448723.db2.gz TXLGCLGUKMUMTB-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001222532377 816462521 /nfs/dbraw/zinc/46/25/21/816462521.db2.gz LEIXKYWOONESDO-UHFFFAOYSA-N 1 3 295.789 3.084 20 0 CGADHO Cc1c(F)ccc(CN2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001231481006 818107890 /nfs/dbraw/zinc/10/78/90/818107890.db2.gz SHLOGJDUSGCYFK-UHFFFAOYSA-N 1 3 294.389 3.191 20 0 CGADHO c1c2c[nH]ccc-2nc1CN1CC[NH+](C2CCCCC2)CC1 ZINC001232012099 818232114 /nfs/dbraw/zinc/23/21/14/818232114.db2.gz SHAGDSCUPNAKPC-UHFFFAOYSA-N 1 3 298.434 3.013 20 0 CGADHO c1c2cnccc2[nH]c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001232012099 818232117 /nfs/dbraw/zinc/23/21/17/818232117.db2.gz SHAGDSCUPNAKPC-UHFFFAOYSA-N 1 3 298.434 3.013 20 0 CGADHO c1c2cnccc2[nH]c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001232011200 818234127 /nfs/dbraw/zinc/23/41/27/818234127.db2.gz JANJPHWUNHMNQH-STQMWFEESA-N 1 3 255.365 3.185 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CCCCC23CC3)c1 ZINC001232146087 818263841 /nfs/dbraw/zinc/26/38/41/818263841.db2.gz ISXDMDOAGAFJNY-UHFFFAOYSA-N 1 3 276.399 3.406 20 0 CGADHO Cc1cccc(CN2CCC[C@]3(CCC[NH2+]3)CC2)c1C ZINC001235042274 818987746 /nfs/dbraw/zinc/98/77/46/818987746.db2.gz XMMHMNFTPQKBAI-GOSISDBHSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CCCC23CCNCC3)cc1C ZINC001235145213 819015093 /nfs/dbraw/zinc/01/50/93/819015093.db2.gz QKSLQPKRAHSCHY-UHFFFAOYSA-N 1 3 272.436 3.330 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CCCC23CCNCC3)cc1C ZINC001235145213 819015097 /nfs/dbraw/zinc/01/50/97/819015097.db2.gz QKSLQPKRAHSCHY-UHFFFAOYSA-N 1 3 272.436 3.330 20 0 CGADHO c1ccc2c(c1)CC(C[N@@H+]1CCCC[C@]13CCCNC3)C2 ZINC001235171297 819023191 /nfs/dbraw/zinc/02/31/91/819023191.db2.gz IUIAIDSMDFBHDN-LJQANCHMSA-N 1 3 284.447 3.010 20 0 CGADHO c1ccc2c(c1)CC(C[N@H+]1CCCC[C@]13CCCNC3)C2 ZINC001235171297 819023197 /nfs/dbraw/zinc/02/31/97/819023197.db2.gz IUIAIDSMDFBHDN-LJQANCHMSA-N 1 3 284.447 3.010 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184214 819028146 /nfs/dbraw/zinc/02/81/46/819028146.db2.gz IBRFOLMUAZZPKN-SJORKVTESA-N 1 3 280.415 3.190 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@H]3CCCN[C@H]3C2)C1(C)C ZINC001235210372 819037233 /nfs/dbraw/zinc/03/72/33/819037233.db2.gz ZMVNCKGIEOANNE-OAGGEKHMSA-N 1 3 262.441 3.053 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@H]3CCCN[C@H]3C2)C1(C)C ZINC001235210372 819037238 /nfs/dbraw/zinc/03/72/38/819037238.db2.gz ZMVNCKGIEOANNE-OAGGEKHMSA-N 1 3 262.441 3.053 20 0 CGADHO CCc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)o1 ZINC001235232688 819041346 /nfs/dbraw/zinc/04/13/46/819041346.db2.gz ZOAIWKKXNMSAAL-QGZVFWFLSA-N 1 3 276.424 3.196 20 0 CGADHO Cc1cccc(F)c1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237450 819043352 /nfs/dbraw/zinc/04/33/52/819043352.db2.gz BNQOGSWZFBQILP-SFHVURJKSA-N 1 3 290.426 3.488 20 0 CGADHO c1ncc(C2CC2)cc1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235238608 819044322 /nfs/dbraw/zinc/04/43/22/819044322.db2.gz QNRUQEOJKYIVIY-LJQANCHMSA-N 1 3 299.462 3.313 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)cc1C ZINC001235407472 819087248 /nfs/dbraw/zinc/08/72/48/819087248.db2.gz SBJFMIIDGDMFMU-QZTJIDSGSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)cc1C ZINC001235407472 819087249 /nfs/dbraw/zinc/08/72/49/819087249.db2.gz SBJFMIIDGDMFMU-QZTJIDSGSA-N 1 3 290.426 3.135 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410061 819090137 /nfs/dbraw/zinc/09/01/37/819090137.db2.gz XHFXEVVGXFXALY-ZWKOTPCHSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235410061 819090142 /nfs/dbraw/zinc/09/01/42/819090142.db2.gz XHFXEVVGXFXALY-ZWKOTPCHSA-N 1 3 290.426 3.081 20 0 CGADHO CCc1cccc(C)c1C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235410061 819090144 /nfs/dbraw/zinc/09/01/44/819090144.db2.gz XHFXEVVGXFXALY-ZWKOTPCHSA-N 1 3 290.426 3.081 20 0 CGADHO CSc1cccc(Cl)c1CN(C)CC1CC[NH2+]CC1 ZINC001235432645 819095621 /nfs/dbraw/zinc/09/56/21/819095621.db2.gz PGDDVABNEIPBEV-UHFFFAOYSA-N 1 3 298.883 3.493 20 0 CGADHO CN(Cc1cc(F)c(Cl)cc1F)CC1CC[NH2+]CC1 ZINC001235433489 819096449 /nfs/dbraw/zinc/09/64/49/819096449.db2.gz JOZLBRJMGHPGBJ-UHFFFAOYSA-N 1 3 288.769 3.050 20 0 CGADHO CCc1cc(CN2CCC(C[NH2+]C)CC2)ccc1Cl ZINC001235680884 819140107 /nfs/dbraw/zinc/14/01/07/819140107.db2.gz YXPXPSRJVDDPPQ-UHFFFAOYSA-N 1 3 280.843 3.334 20 0 CGADHO c1ccc(C[C@H]2CC[N@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235713437 819148430 /nfs/dbraw/zinc/14/84/30/819148430.db2.gz AEXHEVALQYGBPT-GOSISDBHSA-N 1 3 292.426 3.354 20 0 CGADHO c1ccc(C[C@H]2CC[N@@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235713437 819148434 /nfs/dbraw/zinc/14/84/34/819148434.db2.gz AEXHEVALQYGBPT-GOSISDBHSA-N 1 3 292.426 3.354 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CCCC2(CNC2)C1 ZINC001235711141 819148885 /nfs/dbraw/zinc/14/88/85/819148885.db2.gz KKQUBOIJTKZXRR-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1CCCC2(CNC2)C1 ZINC001235711141 819148890 /nfs/dbraw/zinc/14/88/90/819148890.db2.gz KKQUBOIJTKZXRR-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@@H](C)CN1CCCC2(C[NH2+]C2)C1 ZINC001235711141 819148894 /nfs/dbraw/zinc/14/88/94/819148894.db2.gz KKQUBOIJTKZXRR-OAHLLOKOSA-N 1 3 250.430 3.054 20 0 CGADHO CN(Cc1ccccc1-c1cccs1)C[C@@H]1CC[NH2+]C1 ZINC001235841740 819183853 /nfs/dbraw/zinc/18/38/53/819183853.db2.gz ILPHAXYJXLAIFE-CQSZACIVSA-N 1 3 286.444 3.456 20 0 CGADHO CN(CCCc1ccccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC001235952561 819243511 /nfs/dbraw/zinc/24/35/11/819243511.db2.gz ZOUMXFMVFXVYTA-CQSZACIVSA-N 1 3 280.843 3.204 20 0 CGADHO CN(Cc1cccc2sccc21)C[C@@H]1CCC[NH2+]C1 ZINC001235956956 819244449 /nfs/dbraw/zinc/24/44/49/819244449.db2.gz IVGNPYUVWLLUFR-CYBMUJFWSA-N 1 3 274.433 3.333 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981849 819259158 /nfs/dbraw/zinc/25/91/58/819259158.db2.gz XSMKKVFZDCDQNB-ZOBUZTSGSA-N 1 3 282.472 3.031 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045054 819281532 /nfs/dbraw/zinc/28/15/32/819281532.db2.gz RVUGKJUXEXYZKO-XABYNWHXSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045054 819281535 /nfs/dbraw/zinc/28/15/35/819281535.db2.gz RVUGKJUXEXYZKO-XABYNWHXSA-N 1 3 278.827 3.113 20 0 CGADHO CN(Cc1ccc2ccccc2c1)CC1(F)CC[NH2+]CC1 ZINC001236183068 819360531 /nfs/dbraw/zinc/36/05/31/819360531.db2.gz CSAISQWGPWBSNT-UHFFFAOYSA-N 1 3 286.394 3.363 20 0 CGADHO Cc1ccc2cc(C[N@@H+](C)[C@H]3CCCC[C@H]3N)ccc2n1 ZINC001236214834 819377618 /nfs/dbraw/zinc/37/76/18/819377618.db2.gz FRKZZJRXTHAHIC-AEFFLSMTSA-N 1 3 283.419 3.245 20 0 CGADHO Cc1ccc2cc(C[N@H+](C)[C@H]3CCCC[C@H]3N)ccc2n1 ZINC001236214834 819377625 /nfs/dbraw/zinc/37/76/25/819377625.db2.gz FRKZZJRXTHAHIC-AEFFLSMTSA-N 1 3 283.419 3.245 20 0 CGADHO Cc1ccc([C@@H]2CCCCN2C[C@@H]2CC[NH2+]C2)cc1C ZINC001236245160 819402167 /nfs/dbraw/zinc/40/21/67/819402167.db2.gz PSRFBTWGJHINKH-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO Clc1cccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236314031 819420466 /nfs/dbraw/zinc/42/04/66/819420466.db2.gz GWJRIBHQXJJOAA-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO C(C1CCCC1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236369636 819439132 /nfs/dbraw/zinc/43/91/32/819439132.db2.gz BBFUYZZZQVEXNE-INIZCTEOSA-N 1 3 264.457 3.421 20 0 CGADHO C(C1CCCC1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236369636 819439134 /nfs/dbraw/zinc/43/91/34/819439134.db2.gz BBFUYZZZQVEXNE-INIZCTEOSA-N 1 3 264.457 3.421 20 0 CGADHO CCN(Cc1ccc(CC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236408018 819455483 /nfs/dbraw/zinc/45/54/83/819455483.db2.gz JSEDVUMUOFZPHI-SFHVURJKSA-N 1 3 274.452 3.317 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417149 819463761 /nfs/dbraw/zinc/46/37/61/819463761.db2.gz XLQSQEGQCRXRHL-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417149 819463764 /nfs/dbraw/zinc/46/37/64/819463764.db2.gz XLQSQEGQCRXRHL-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO CCOCC[N@H+](C[C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001236460236 819486326 /nfs/dbraw/zinc/48/63/26/819486326.db2.gz OKJYIIVGCAXOLR-QGZVFWFLSA-N 1 3 296.499 3.459 20 0 CGADHO CCOCC[N@@H+](C[C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001236460236 819486329 /nfs/dbraw/zinc/48/63/29/819486329.db2.gz OKJYIIVGCAXOLR-QGZVFWFLSA-N 1 3 296.499 3.459 20 0 CGADHO CCCN(Cc1c(C)cccc1C)C[C@H]1CC[NH2+]C1 ZINC001236836551 819616854 /nfs/dbraw/zinc/61/68/54/819616854.db2.gz XFPAHFPWAPRWLJ-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC001237221994 819702691 /nfs/dbraw/zinc/70/26/91/819702691.db2.gz AYPVNLGMYTWZSH-ZWKOTPCHSA-N 1 3 287.451 3.108 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC001237221994 819702694 /nfs/dbraw/zinc/70/26/94/819702694.db2.gz AYPVNLGMYTWZSH-ZWKOTPCHSA-N 1 3 287.451 3.108 20 0 CGADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(N)c1 ZINC001237221994 819702699 /nfs/dbraw/zinc/70/26/99/819702699.db2.gz AYPVNLGMYTWZSH-ZWKOTPCHSA-N 1 3 287.451 3.108 20 0 CGADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(N)c1 ZINC001237221994 819702705 /nfs/dbraw/zinc/70/27/05/819702705.db2.gz AYPVNLGMYTWZSH-ZWKOTPCHSA-N 1 3 287.451 3.108 20 0 CGADHO CCC[N@H+]1C[C@H]2CN(Cc3c(C)cccc3CC)C[C@H]2C1 ZINC001237331564 819730889 /nfs/dbraw/zinc/73/08/89/819730889.db2.gz ZVDCZNZRFPCXLP-HDICACEKSA-N 1 3 286.463 3.331 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN(Cc3c(C)cccc3CC)C[C@H]2C1 ZINC001237331564 819730894 /nfs/dbraw/zinc/73/08/94/819730894.db2.gz ZVDCZNZRFPCXLP-HDICACEKSA-N 1 3 286.463 3.331 20 0 CGADHO Nc1ccnc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001241756729 822129447 /nfs/dbraw/zinc/12/94/47/822129447.db2.gz NBQQXROMWJICCE-UHFFFAOYSA-N 1 3 297.402 3.196 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852402 936936859 /nfs/dbraw/zinc/93/68/59/936936859.db2.gz LNXXWFCUMAVPRU-UONOGXRCSA-N 1 3 268.351 3.374 20 0 CGADHO COC[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)C(C)C ZINC001351284980 937013728 /nfs/dbraw/zinc/01/37/28/937013728.db2.gz YMJFSRUABREPEP-IKGGRYGDSA-N 1 3 296.499 3.148 20 0 CGADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001461830551 937600527 /nfs/dbraw/zinc/60/05/27/937600527.db2.gz PPCOXYFIXOLTMZ-GBESFXJTSA-N 1 3 286.463 3.315 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891171 932690988 /nfs/dbraw/zinc/69/09/88/932690988.db2.gz CTKKZRAOAGHNDA-XABYNWHXSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235891171 932690992 /nfs/dbraw/zinc/69/09/92/932690992.db2.gz CTKKZRAOAGHNDA-XABYNWHXSA-N 1 3 278.827 3.255 20 0 CGADHO CN(C)CCC[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001308179406 933066976 /nfs/dbraw/zinc/06/69/76/933066976.db2.gz LEPCAAUXDICGHI-UHFFFAOYSA-N 1 3 260.425 3.386 20 0 CGADHO CC[C@@H]1C[C@@H](C[NH2+]CC[C@@H](C)N2CCCCC2)CCO1 ZINC001308365819 933101390 /nfs/dbraw/zinc/10/13/90/933101390.db2.gz HQKDNSQZFCMISJ-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H]1C[C@H](C[NH2+]CC[C@@H](C)N2CCCCC2)CCO1 ZINC001308365817 933101470 /nfs/dbraw/zinc/10/14/70/933101470.db2.gz HQKDNSQZFCMISJ-BRWVUGGUSA-N 1 3 282.472 3.046 20 0 CGADHO CCCC1CCC(C[NH2+]C[C@H](C)CN(C)C)CC1 ZINC001308419496 933109334 /nfs/dbraw/zinc/10/93/34/933109334.db2.gz VUVUGVUSHLWWJI-FHERZECASA-N 1 3 254.462 3.380 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC001308555801 933131849 /nfs/dbraw/zinc/13/18/49/933131849.db2.gz YHKKBEDCIDMRMH-ZNMIVQPWSA-N 1 3 280.362 3.054 20 0 CGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1cc(C)cc(C)c1 ZINC001308577554 933136164 /nfs/dbraw/zinc/13/61/64/933136164.db2.gz OQEDCKSKGCXSIW-MOPGFXCFSA-N 1 3 286.463 3.405 20 0 CGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1cc(C)cc(C)c1 ZINC001308577554 933136169 /nfs/dbraw/zinc/13/61/69/933136169.db2.gz OQEDCKSKGCXSIW-MOPGFXCFSA-N 1 3 286.463 3.405 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913418 933956365 /nfs/dbraw/zinc/95/63/65/933956365.db2.gz UWIOOGXCJRACAB-PBHICJAKSA-N 1 3 293.430 3.239 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@@H]2C1 ZINC001474757060 934176717 /nfs/dbraw/zinc/17/67/17/934176717.db2.gz PCMZIEGVHKXSFZ-CGTJXYLNSA-N 1 3 274.452 3.339 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccsc2)C1 ZINC001322634370 934323833 /nfs/dbraw/zinc/32/38/33/934323833.db2.gz TVXSVWRLYLEUOI-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO CN(C)c1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC001325744328 934925796 /nfs/dbraw/zinc/92/57/96/934925796.db2.gz UZKZOAXNESUFAF-RTBURBONSA-N 1 3 295.430 3.030 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1Cl ZINC001325743062 934926411 /nfs/dbraw/zinc/92/64/11/934926411.db2.gz JCIUWCPCCKPLGC-IAQYHMDHSA-N 1 3 284.806 3.129 20 0 CGADHO COc1cccc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])oc21 ZINC001327416379 935058061 /nfs/dbraw/zinc/05/80/61/935058061.db2.gz RNDRVOAFDBWGPE-HIFRSBDPSA-N 1 3 288.391 3.049 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001328764599 935168115 /nfs/dbraw/zinc/16/81/15/935168115.db2.gz OMJOAERUURJCCX-MCIONIFRSA-N 1 3 296.480 3.023 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764599 935168118 /nfs/dbraw/zinc/16/81/18/935168118.db2.gz OMJOAERUURJCCX-MCIONIFRSA-N 1 3 296.480 3.023 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)ccc1Cl ZINC001474301434 937849550 /nfs/dbraw/zinc/84/95/50/937849550.db2.gz KHFVTNDDNXCNAX-IJEWVQPXSA-N 1 3 278.827 3.078 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1(C)C ZINC001474499162 937863163 /nfs/dbraw/zinc/86/31/63/937863163.db2.gz LWTOSNNVOMCIBI-IXDOHACOSA-N 1 3 296.499 3.290 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC001474759993 937879385 /nfs/dbraw/zinc/87/93/85/937879385.db2.gz YYSURZBNFAJMTA-ARFHVFGLSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC001552080893 938189900 /nfs/dbraw/zinc/18/99/00/938189900.db2.gz XMOZCILCCPNHJP-FIXIBIHLSA-N 1 3 296.817 3.313 20 0 CGADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155911 938245431 /nfs/dbraw/zinc/24/54/31/938245431.db2.gz XSZZBJTUXKKYMI-KYJSFNMBSA-N 1 3 285.435 3.028 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155911 938245432 /nfs/dbraw/zinc/24/54/32/938245432.db2.gz XSZZBJTUXKKYMI-KYJSFNMBSA-N 1 3 285.435 3.028 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155911 938245433 /nfs/dbraw/zinc/24/54/33/938245433.db2.gz XSZZBJTUXKKYMI-KYJSFNMBSA-N 1 3 285.435 3.028 20 0 CGADHO CCCN1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001560251460 938249596 /nfs/dbraw/zinc/24/95/96/938249596.db2.gz QWGGBISJTGEHFR-ARJAWSKDSA-N 1 3 294.389 3.442 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC(C)(C)C1 ZINC001560621834 938266093 /nfs/dbraw/zinc/26/60/93/938266093.db2.gz BLGDNMCXFSJJQD-ZVDSWSACSA-N 1 3 264.457 3.131 20 0 CGADHO C(C[NH2+]C[C@H]1CN2CCC1CC2)CC1CCCCC1 ZINC001561034618 938290552 /nfs/dbraw/zinc/29/05/52/938290552.db2.gz XPUPGUOWUMCDRY-KRWDZBQOSA-N 1 3 264.457 3.278 20 0 CGADHO C[C@@]1(CNC2(Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC001576519934 960477890 /nfs/dbraw/zinc/47/78/90/960477890.db2.gz WJBFBKKCZGCCMW-OAHLLOKOSA-N 1 3 278.827 3.004 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(CCc2ccccc2F)C1 ZINC001575116239 962342218 /nfs/dbraw/zinc/34/22/18/962342218.db2.gz QNGDTUBJMYRRQP-QGZVFWFLSA-N 1 3 278.415 3.065 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001575531266 962391947 /nfs/dbraw/zinc/39/19/47/962391947.db2.gz NCDQIJPCZKWERO-HRCADAONSA-N 1 3 252.446 3.120 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001575531266 962391965 /nfs/dbraw/zinc/39/19/65/962391965.db2.gz NCDQIJPCZKWERO-HRCADAONSA-N 1 3 252.446 3.120 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001575940956 962422372 /nfs/dbraw/zinc/42/23/72/962422372.db2.gz FTKLVTFSWGPKEF-FDYHWXHSSA-N 1 3 276.346 3.004 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(CC2CCC2)c1 ZINC001576153674 962440137 /nfs/dbraw/zinc/44/01/37/962440137.db2.gz XKWUGDRXHKLRRA-KBPBESRZSA-N 1 3 260.425 3.245 20 0 CGADHO C[C@]1(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503097 962468544 /nfs/dbraw/zinc/46/85/44/962468544.db2.gz LSSBMXKZJWKUPP-ROUUACIJSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@]1(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503097 962468555 /nfs/dbraw/zinc/46/85/55/962468555.db2.gz LSSBMXKZJWKUPP-ROUUACIJSA-N 1 3 290.426 3.222 20 0 CGADHO CCC[C@H](C)CCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001577340983 962525691 /nfs/dbraw/zinc/52/56/91/962525691.db2.gz OBBBFPPJXZLKNI-JKSUJKDBSA-N 1 3 252.446 3.278 20 0 CGADHO CCc1ccc(CN(CC(C)C)C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC001578259677 962588847 /nfs/dbraw/zinc/58/88/47/962588847.db2.gz DYFNUCVGNIIOMY-MOPGFXCFSA-N 1 3 286.463 3.317 20 0 CGADHO COc1cc(Cl)ccc1CN(C)CCCCCC[NH3+] ZINC001579155241 962610371 /nfs/dbraw/zinc/61/03/71/962610371.db2.gz JLMOREYMHTWIIL-UHFFFAOYSA-N 1 3 284.831 3.300 20 0 CGADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](N)CCC(C)(C)C ZINC001579132961 962613655 /nfs/dbraw/zinc/61/36/55/962613655.db2.gz JSAHUTNAVRYDIA-UAGQMJEPSA-N 1 3 290.451 3.042 20 0 CGADHO C[C@H]([NH3+])CCNCc1ccc(C2CC2)c(C2CC2)c1 ZINC001579480002 962628994 /nfs/dbraw/zinc/62/89/94/962628994.db2.gz DWYUYHOBZGEIGE-LBPRGKRZSA-N 1 3 258.409 3.268 20 0 CGADHO Cc1cc(CN2CCC3(CCC[C@H]3C[NH3+])CC2)cc(C)n1 ZINC001579598340 962638400 /nfs/dbraw/zinc/63/84/00/962638400.db2.gz QEVVHLIIDCIALU-KRWDZBQOSA-N 1 3 287.451 3.039 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H](CN)C(C)C)cc1 ZINC001579684507 962651102 /nfs/dbraw/zinc/65/11/02/962651102.db2.gz HIFJTWASXBNHNN-QZTJIDSGSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H](CN)C(C)C)cc1 ZINC001579684507 962651114 /nfs/dbraw/zinc/65/11/14/962651114.db2.gz HIFJTWASXBNHNN-QZTJIDSGSA-N 1 3 274.452 3.233 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001580423008 962722738 /nfs/dbraw/zinc/72/27/38/962722738.db2.gz LVYHXKSCECIFCK-BGYRXZFFSA-N 1 3 294.442 3.167 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127746830 187329862 /nfs/dbraw/zinc/32/98/62/187329862.db2.gz WNBXRQNCZRJPBD-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127746830 187329864 /nfs/dbraw/zinc/32/98/64/187329864.db2.gz WNBXRQNCZRJPBD-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO Cc1nc([C@H](C)NCCCC[N@H+](C)C2CC2)c(C)s1 ZINC000651492008 398253513 /nfs/dbraw/zinc/25/35/13/398253513.db2.gz RHUVCPRBHTXLMZ-NSHDSACASA-N 1 3 281.469 3.285 20 0 CGADHO Cc1nc([C@H](C)NCCCC[N@@H+](C)C2CC2)c(C)s1 ZINC000651492008 398253517 /nfs/dbraw/zinc/25/35/17/398253517.db2.gz RHUVCPRBHTXLMZ-NSHDSACASA-N 1 3 281.469 3.285 20 0 CGADHO CCC[NH+]1CCC(CNCc2cc3cnccc3o2)CC1 ZINC000651705038 398271929 /nfs/dbraw/zinc/27/19/29/398271929.db2.gz FAZBQBBSAJNNTI-UHFFFAOYSA-N 1 3 287.407 3.039 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000651866012 398299143 /nfs/dbraw/zinc/29/91/43/398299143.db2.gz QJRCTESOHBKUAK-LBPRGKRZSA-N 1 3 268.367 3.285 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337987313 214345328 /nfs/dbraw/zinc/34/53/28/214345328.db2.gz JTDGITASXAZVIZ-CABCVRRESA-N 1 3 258.425 3.226 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651911018 398305531 /nfs/dbraw/zinc/30/55/31/398305531.db2.gz XUFFAHRVGVEEIG-CIRFHOKZSA-N 1 3 270.420 3.067 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911018 398305532 /nfs/dbraw/zinc/30/55/32/398305532.db2.gz XUFFAHRVGVEEIG-CIRFHOKZSA-N 1 3 270.420 3.067 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CC[C@@H]1C1CCC1)CN1CCCC1 ZINC000338014152 214361230 /nfs/dbraw/zinc/36/12/30/214361230.db2.gz GCZBEFNXBACEFJ-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423456127 529453310 /nfs/dbraw/zinc/45/33/10/529453310.db2.gz DFRGADVOEFVEBI-WMZOPIPTSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423470305 529453355 /nfs/dbraw/zinc/45/33/55/529453355.db2.gz PDORMWWTWPBIMA-VHDGCEQUSA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@@]1(C(C)C)C[C@@H]1NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897670 529520409 /nfs/dbraw/zinc/52/04/09/529520409.db2.gz VPXMCGZKDAIEMZ-IRXDYDNUSA-N 1 3 291.439 3.056 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000423480019 529567799 /nfs/dbraw/zinc/56/77/99/529567799.db2.gz VXZBTMJXLJXYQU-NWDGAFQWSA-N 1 3 260.356 3.367 20 0 CGADHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)ccc1Cl ZINC000623335930 349780657 /nfs/dbraw/zinc/78/06/57/349780657.db2.gz MIHHWOCADMDTCR-UHFFFAOYSA-N 1 3 284.831 3.026 20 0 CGADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1C[C@H]1C ZINC000414081520 529631950 /nfs/dbraw/zinc/63/19/50/529631950.db2.gz UIFPWABXFLTUSQ-PVAVHDDUSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283707 529618979 /nfs/dbraw/zinc/61/89/79/529618979.db2.gz XIXVEXOUPJHRFY-KBPBESRZSA-N 1 3 286.366 3.312 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423391102 529670591 /nfs/dbraw/zinc/67/05/91/529670591.db2.gz PHYXZBDSDAPREZ-ILXRZTDVSA-N 1 3 292.423 3.014 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381956 349795309 /nfs/dbraw/zinc/79/53/09/349795309.db2.gz QEHBVBCLJTXWNC-DOTOQJQBSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623381956 349795315 /nfs/dbraw/zinc/79/53/15/349795315.db2.gz QEHBVBCLJTXWNC-DOTOQJQBSA-N 1 3 272.436 3.445 20 0 CGADHO CCc1nc(C)c([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423267613 529730009 /nfs/dbraw/zinc/73/00/09/529730009.db2.gz CXNREQCWZMZSQZ-DRZSPHRISA-N 1 3 281.469 3.182 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503345 349822081 /nfs/dbraw/zinc/82/20/81/349822081.db2.gz WBLWNHBCMQLQGB-VXGBXAGGSA-N 1 3 280.378 3.426 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503345 349822086 /nfs/dbraw/zinc/82/20/86/349822086.db2.gz WBLWNHBCMQLQGB-VXGBXAGGSA-N 1 3 280.378 3.426 20 0 CGADHO Cc1ccc(F)c(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623540396 349830417 /nfs/dbraw/zinc/83/04/17/349830417.db2.gz XSVKPAZILHWISC-OAHLLOKOSA-N 1 3 278.415 3.139 20 0 CGADHO Cc1ccc(F)c(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623540396 349830419 /nfs/dbraw/zinc/83/04/19/349830419.db2.gz XSVKPAZILHWISC-OAHLLOKOSA-N 1 3 278.415 3.139 20 0 CGADHO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623656829 349858602 /nfs/dbraw/zinc/85/86/02/349858602.db2.gz CPNYWNMXQNLSHL-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1cc(C[NH2+]C[C@H]2CCCCN(C)C2)ccc1Cl ZINC000623657727 349859098 /nfs/dbraw/zinc/85/90/98/349859098.db2.gz XOYIXJFLTOLGBB-OAHLLOKOSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623657395 349859536 /nfs/dbraw/zinc/85/95/36/349859536.db2.gz PTFFLYYSWYNQKA-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000623654780 349857013 /nfs/dbraw/zinc/85/70/13/349857013.db2.gz IWTPNXMHDJMGBR-AWEZNQCLSA-N 1 3 298.377 3.110 20 0 CGADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623654616 349857099 /nfs/dbraw/zinc/85/70/99/349857099.db2.gz DOHBDRRBXDNTJU-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623656897 349857623 /nfs/dbraw/zinc/85/76/23/349857623.db2.gz FDPIKUUMUACEDP-BHYGNILZSA-N 1 3 264.457 3.300 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050699 530059005 /nfs/dbraw/zinc/05/90/05/530059005.db2.gz VSXANGXAQGIHML-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050699 530059006 /nfs/dbraw/zinc/05/90/06/530059006.db2.gz VSXANGXAQGIHML-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050699 530059007 /nfs/dbraw/zinc/05/90/07/530059007.db2.gz VSXANGXAQGIHML-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050699 530059008 /nfs/dbraw/zinc/05/90/08/530059008.db2.gz VSXANGXAQGIHML-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000037649737 344952005 /nfs/dbraw/zinc/95/20/05/344952005.db2.gz LRMXRSOXBWSMGZ-AWEZNQCLSA-N 1 3 281.403 3.439 20 0 CGADHO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000037649737 344952007 /nfs/dbraw/zinc/95/20/07/344952007.db2.gz LRMXRSOXBWSMGZ-AWEZNQCLSA-N 1 3 281.403 3.439 20 0 CGADHO CC[NH+]1CCC(CNCc2ccccc2OC(F)F)CC1 ZINC000044517578 345012037 /nfs/dbraw/zinc/01/20/37/345012037.db2.gz FPTCCBIUUGEGJR-UHFFFAOYSA-N 1 3 298.377 3.110 20 0 CGADHO COc1ccc([C@H](NC[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000044533372 345012965 /nfs/dbraw/zinc/01/29/65/345012965.db2.gz LGHUHRRNRCXRIY-RDTXWAMCSA-N 1 3 288.435 3.078 20 0 CGADHO COc1ccc([C@H](NC[C@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000044533372 345012966 /nfs/dbraw/zinc/01/29/66/345012966.db2.gz LGHUHRRNRCXRIY-RDTXWAMCSA-N 1 3 288.435 3.078 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000044364571 345009523 /nfs/dbraw/zinc/00/95/23/345009523.db2.gz YJVSNWKXWJANJF-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2cccc(OC)c2)CC1 ZINC000047973493 345058222 /nfs/dbraw/zinc/05/82/22/345058222.db2.gz CMYFIUBHTRYDOC-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO [NH3+]CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000070183412 345388448 /nfs/dbraw/zinc/38/84/48/345388448.db2.gz XAUOZQFJYOFCJE-UHFFFAOYSA-N 1 3 286.341 3.266 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)N1CCC(CC[NH3+])CC1 ZINC000070183460 345388755 /nfs/dbraw/zinc/38/87/55/345388755.db2.gz HHXWIMVZQKZFFQ-LBPRGKRZSA-N 1 3 266.816 3.462 20 0 CGADHO CCC[C@@H]([NH2+]CCOCCN(C)C)c1cc(C)sc1C ZINC000623967971 349931536 /nfs/dbraw/zinc/93/15/36/349931536.db2.gz OSAOYUKCNZESRK-MRXNPFEDSA-N 1 3 298.496 3.374 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c1 ZINC000086256417 345749253 /nfs/dbraw/zinc/74/92/53/345749253.db2.gz FMWDLFUQGHNCBN-QAPCUYQASA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c1 ZINC000086256417 345749254 /nfs/dbraw/zinc/74/92/54/345749254.db2.gz FMWDLFUQGHNCBN-QAPCUYQASA-N 1 3 283.419 3.015 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1CCCCC1)c1cccnc1 ZINC000091266625 345809359 /nfs/dbraw/zinc/80/93/59/345809359.db2.gz YEGBSWBMJAODCN-KRWDZBQOSA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccnc1 ZINC000091333257 345810767 /nfs/dbraw/zinc/81/07/67/345810767.db2.gz WWAKIAWKINDWBG-FUHWJXTLSA-N 1 3 289.467 3.489 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597579 345884128 /nfs/dbraw/zinc/88/41/28/345884128.db2.gz URINYWOXYVEFIL-QRQLOZEOSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000093597579 345884129 /nfs/dbraw/zinc/88/41/29/345884129.db2.gz URINYWOXYVEFIL-QRQLOZEOSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000093597579 345884131 /nfs/dbraw/zinc/88/41/31/345884131.db2.gz URINYWOXYVEFIL-QRQLOZEOSA-N 1 3 284.447 3.208 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc2ccccc2c1 ZINC000124546973 346013038 /nfs/dbraw/zinc/01/30/38/346013038.db2.gz DBVKZAOOMAFEMC-CXAGYDPISA-N 1 3 254.377 3.151 20 0 CGADHO CC(C)CCn1cccc1C[NH2+]CC(C)(C)CN(C)C ZINC000236634889 346341747 /nfs/dbraw/zinc/34/17/47/346341747.db2.gz QZFJRWYIXNSIEK-UHFFFAOYSA-N 1 3 279.472 3.212 20 0 CGADHO Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)n1 ZINC000584774791 346713148 /nfs/dbraw/zinc/71/31/48/346713148.db2.gz NDBVTVBDRVMGPW-VCTAVGKDSA-N 1 3 287.432 3.289 20 0 CGADHO CCSCC[C@H](C)[N@H+](C)Cc1cccc2c1CCNC2 ZINC000595884378 347370331 /nfs/dbraw/zinc/37/03/31/347370331.db2.gz DYAVXBFOVXYDPB-AWEZNQCLSA-N 1 3 292.492 3.296 20 0 CGADHO CCSCC[C@H](C)[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000595884378 347370335 /nfs/dbraw/zinc/37/03/35/347370335.db2.gz DYAVXBFOVXYDPB-AWEZNQCLSA-N 1 3 292.492 3.296 20 0 CGADHO CCC[NH+]1CCC(NCC(C)(C)c2ccc(C)cn2)CC1 ZINC000624114106 349975832 /nfs/dbraw/zinc/97/58/32/349975832.db2.gz UFZMVBMFUKVPIE-UHFFFAOYSA-N 1 3 289.467 3.132 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCSc2ccc(Cl)cc2)C1 ZINC000351851279 219225466 /nfs/dbraw/zinc/22/54/66/219225466.db2.gz KZJVQYFHKLQJHX-VXGBXAGGSA-N 1 3 284.856 3.101 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000624122925 349981962 /nfs/dbraw/zinc/98/19/62/349981962.db2.gz BGCVEGYDWBWUOF-WMLDXEAASA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122502 349982099 /nfs/dbraw/zinc/98/20/99/349982099.db2.gz SWMZNWSBTGILKR-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H](Cc1ccccc1F)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624122502 349982100 /nfs/dbraw/zinc/98/21/00/349982100.db2.gz SWMZNWSBTGILKR-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H](Cc1ccccc1F)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624122502 349982102 /nfs/dbraw/zinc/98/21/02/349982102.db2.gz SWMZNWSBTGILKR-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123671 349982329 /nfs/dbraw/zinc/98/23/29/349982329.db2.gz QGFKRXGOCCBRCU-OAGGEKHMSA-N 1 3 296.499 3.290 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000624123955 349983036 /nfs/dbraw/zinc/98/30/36/349983036.db2.gz USSALYUKKLVZDD-KBXCAEBGSA-N 1 3 288.435 3.091 20 0 CGADHO C/C(=C/c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000608061544 348280797 /nfs/dbraw/zinc/28/07/97/348280797.db2.gz JZJHYEHURXWCSJ-SBALYVHTSA-N 1 3 258.409 3.162 20 0 CGADHO C/C(=C/c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000608061544 348280798 /nfs/dbraw/zinc/28/07/98/348280798.db2.gz JZJHYEHURXWCSJ-SBALYVHTSA-N 1 3 258.409 3.162 20 0 CGADHO c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCN3CCC[C@H]3C1)C2 ZINC000358231311 233085838 /nfs/dbraw/zinc/08/58/38/233085838.db2.gz SBVYKSZHYVZYSQ-MOPGFXCFSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000358231311 233085840 /nfs/dbraw/zinc/08/58/40/233085840.db2.gz SBVYKSZHYVZYSQ-MOPGFXCFSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000358231311 233085841 /nfs/dbraw/zinc/08/58/41/233085841.db2.gz SBVYKSZHYVZYSQ-MOPGFXCFSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000358358429 233115957 /nfs/dbraw/zinc/11/59/57/233115957.db2.gz SIPHSTVJUCBUMS-XYJFISCASA-N 1 3 296.499 3.028 20 0 CGADHO Cc1nc(C)c([C@@H](C)N(C)CCC2CC[NH2+]CC2)s1 ZINC000359190106 233277672 /nfs/dbraw/zinc/27/76/72/233277672.db2.gz MIKYOKJTESCTMF-GFCCVEGCSA-N 1 3 281.469 3.142 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000359364276 233305656 /nfs/dbraw/zinc/30/56/56/233305656.db2.gz OOSSUTFJAUHYDN-AWEZNQCLSA-N 1 3 278.440 3.471 20 0 CGADHO CC[N@H+](CCc1cccnc1)Cc1ccc(CN(C)C)cc1 ZINC000626063184 350254565 /nfs/dbraw/zinc/25/45/65/350254565.db2.gz UZWDGEYTQDAXFL-UHFFFAOYSA-N 1 3 297.446 3.208 20 0 CGADHO CC[N@@H+](CCc1cccnc1)Cc1ccc(CN(C)C)cc1 ZINC000626063184 350254569 /nfs/dbraw/zinc/25/45/69/350254569.db2.gz UZWDGEYTQDAXFL-UHFFFAOYSA-N 1 3 297.446 3.208 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000628170276 350421482 /nfs/dbraw/zinc/42/14/82/350421482.db2.gz VSGJKWJYXFYXJS-IAGOWNOFSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186735 350430184 /nfs/dbraw/zinc/43/01/84/350430184.db2.gz UYGDVODOVVTSAD-DLBZAZTESA-N 1 3 274.452 3.372 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186735 350430185 /nfs/dbraw/zinc/43/01/85/350430185.db2.gz UYGDVODOVVTSAD-DLBZAZTESA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186735 350430188 /nfs/dbraw/zinc/43/01/88/350430188.db2.gz UYGDVODOVVTSAD-DLBZAZTESA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186735 350430192 /nfs/dbraw/zinc/43/01/92/350430192.db2.gz UYGDVODOVVTSAD-DLBZAZTESA-N 1 3 274.452 3.372 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000628280109 350475667 /nfs/dbraw/zinc/47/56/67/350475667.db2.gz QMYWDCUFMXDAHD-SFHVURJKSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000628280109 350475668 /nfs/dbraw/zinc/47/56/68/350475668.db2.gz QMYWDCUFMXDAHD-SFHVURJKSA-N 1 3 297.446 3.332 20 0 CGADHO CCC[C@H](NCCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629538449 350705543 /nfs/dbraw/zinc/70/55/43/350705543.db2.gz JUALKFPSJSCRJY-HNNXBMFYSA-N 1 3 284.831 3.136 20 0 CGADHO CC(C)Sc1ccc([C@H](C)NCCOCCC[NH3+])cc1 ZINC000629538028 350705552 /nfs/dbraw/zinc/70/55/52/350705552.db2.gz LSESDSZUBPCVTJ-AWEZNQCLSA-N 1 3 296.480 3.203 20 0 CGADHO C[C@H](NCCOCCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000629539759 350706773 /nfs/dbraw/zinc/70/67/73/350706773.db2.gz NTOAPPXAWJDBFU-AWEZNQCLSA-N 1 3 278.440 3.000 20 0 CGADHO C[C@@H](NCCOCCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000629539760 350706810 /nfs/dbraw/zinc/70/68/10/350706810.db2.gz NTOAPPXAWJDBFU-CQSZACIVSA-N 1 3 278.440 3.000 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(OC)cc1 ZINC000629540971 350707346 /nfs/dbraw/zinc/70/73/46/350707346.db2.gz ZEOPHYKWGPXWME-UNEWFSDZSA-N 1 3 276.424 3.267 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544278 350709348 /nfs/dbraw/zinc/70/93/48/350709348.db2.gz HGTWCAAVDMQSKY-ZJUUUORDSA-N 1 3 297.805 3.218 20 0 CGADHO Clc1ccc(C[C@H]2CCC[C@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000629553201 350712040 /nfs/dbraw/zinc/71/20/40/350712040.db2.gz NYUJKGZBBQETQO-FVQBIDKESA-N 1 3 278.827 3.003 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629563501 350713811 /nfs/dbraw/zinc/71/38/11/350713811.db2.gz RAFYXFHCICIJAN-STQMWFEESA-N 1 3 278.362 3.026 20 0 CGADHO CCc1nc(C(C)C)ccc1CN1CCC(C[NH2+]C)CC1 ZINC000629512344 350698825 /nfs/dbraw/zinc/69/88/25/350698825.db2.gz UTMQJJXULWPOBQ-UHFFFAOYSA-N 1 3 289.467 3.199 20 0 CGADHO c1ccc(OCCCCC[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000629651038 350730732 /nfs/dbraw/zinc/73/07/32/350730732.db2.gz OHWQFCWMLIXHPC-QGZVFWFLSA-N 1 3 288.435 3.110 20 0 CGADHO C[NH2+]CCOCCN(C)Cc1cccc(C2CCCC2)c1 ZINC000629652707 350731256 /nfs/dbraw/zinc/73/12/56/350731256.db2.gz CYZHVVWNGHHLKN-UHFFFAOYSA-N 1 3 290.451 3.012 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2ccc(C(F)F)nc2)CCCC1 ZINC000631113356 350959047 /nfs/dbraw/zinc/95/90/47/350959047.db2.gz WBPYLDCIGREPNZ-UHFFFAOYSA-N 1 3 297.393 3.231 20 0 CGADHO CCC[C@H](NCC1=CC[N@H+](C)CC1)c1cc(C)ccn1 ZINC000631608294 351089242 /nfs/dbraw/zinc/08/92/42/351089242.db2.gz PXPVQROOIRUPAH-INIZCTEOSA-N 1 3 273.424 3.083 20 0 CGADHO CCC[C@H](NCC1=CC[N@@H+](C)CC1)c1cc(C)ccn1 ZINC000631608294 351089245 /nfs/dbraw/zinc/08/92/45/351089245.db2.gz PXPVQROOIRUPAH-INIZCTEOSA-N 1 3 273.424 3.083 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733986 351580278 /nfs/dbraw/zinc/58/02/78/351580278.db2.gz UEACZTICWMCILD-RDJZCZTQSA-N 1 3 274.452 3.376 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000635010202 351628259 /nfs/dbraw/zinc/62/82/59/351628259.db2.gz ZAKVUZDRTYEEOU-KZNAEPCWSA-N 1 3 272.436 3.115 20 0 CGADHO Fc1ccc2c(c1)CC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635012091 351630870 /nfs/dbraw/zinc/63/08/70/351630870.db2.gz UAVPPEGMRPIXBL-IBGZPJMESA-N 1 3 296.389 3.249 20 0 CGADHO Cc1ccc(CNCCCCCCC[NH+](C)C)o1 ZINC000123441872 187092178 /nfs/dbraw/zinc/09/21/78/187092178.db2.gz ADBTWYKQPNDRQF-UHFFFAOYSA-N 1 3 252.402 3.190 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000271868183 191378481 /nfs/dbraw/zinc/37/84/81/191378481.db2.gz LYTKJWIKGYERBP-OALUTQOASA-N 1 3 284.447 3.249 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414878152 235487889 /nfs/dbraw/zinc/48/78/89/235487889.db2.gz NVCKKSGQXUORGG-VXGBXAGGSA-N 1 3 288.357 3.211 20 0 CGADHO Clc1ccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420365193 235744414 /nfs/dbraw/zinc/74/44/14/235744414.db2.gz DTKGITHMAPJJMM-BLLLJJGKSA-N 1 3 278.827 3.380 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCCC2CC[NH+](C)CC2)o1 ZINC000105454637 138351992 /nfs/dbraw/zinc/35/19/92/138351992.db2.gz SCPGCTFOACQQRL-CJNGLKHVSA-N 1 3 276.424 3.225 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000472448721 535350745 /nfs/dbraw/zinc/35/07/45/535350745.db2.gz PUTYTFACGXZGQV-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000472448721 535350746 /nfs/dbraw/zinc/35/07/46/535350746.db2.gz PUTYTFACGXZGQV-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO CCC(CC)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000124838938 138377992 /nfs/dbraw/zinc/37/79/92/138377992.db2.gz KICBIUFNRYTJRE-UHFFFAOYSA-N 1 3 261.413 3.076 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC2(CCCC2)CC1 ZINC000124274021 138373986 /nfs/dbraw/zinc/37/39/86/138373986.db2.gz SWPPKQRPAXTSPC-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC2(CCCC2)CC1 ZINC000124274021 138373987 /nfs/dbraw/zinc/37/39/87/138373987.db2.gz SWPPKQRPAXTSPC-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC2(CCCC2)CC1 ZINC000124274021 138373988 /nfs/dbraw/zinc/37/39/88/138373988.db2.gz SWPPKQRPAXTSPC-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO c1ccc(N[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000125102804 138379880 /nfs/dbraw/zinc/37/98/80/138379880.db2.gz XJDQVRLXHOMQJZ-SFHVURJKSA-N 1 3 287.451 3.049 20 0 CGADHO c1ccc(N[C@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000125102804 138379881 /nfs/dbraw/zinc/37/98/81/138379881.db2.gz XJDQVRLXHOMQJZ-SFHVURJKSA-N 1 3 287.451 3.049 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000422755301 235914036 /nfs/dbraw/zinc/91/40/36/235914036.db2.gz GQDNPYAZYPEATA-IPYPFGDCSA-N 1 3 275.440 3.326 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422775807 235917331 /nfs/dbraw/zinc/91/73/31/235917331.db2.gz CKKRMGRZEGOADX-QRVBRYPASA-N 1 3 286.463 3.356 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N)[C@@H](C)c1ccc(Cl)cc1 ZINC000423222581 236000048 /nfs/dbraw/zinc/00/00/48/236000048.db2.gz BSTJBQJGSACECI-QJPTWQEYSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423222581 236000051 /nfs/dbraw/zinc/00/00/51/236000051.db2.gz BSTJBQJGSACECI-QJPTWQEYSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[C@H]1CN ZINC000423265848 236014128 /nfs/dbraw/zinc/01/41/28/236014128.db2.gz DBKVZDOEKYHUDN-WQGACYEGSA-N 1 3 282.378 3.003 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(CO)c2)cc1 ZINC000423296267 236028655 /nfs/dbraw/zinc/02/86/55/236028655.db2.gz YUMCHIWEBCCVKX-ZIAGYGMSSA-N 1 3 284.403 3.049 20 0 CGADHO N[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000423312520 236034636 /nfs/dbraw/zinc/03/46/36/236034636.db2.gz DGQGZSDGKWMTLE-RTBURBONSA-N 1 3 280.415 3.297 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000423395136 236062083 /nfs/dbraw/zinc/06/20/83/236062083.db2.gz RSDVZHYLXYDXEC-RANZSIQMSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(CO)c1 ZINC000423495368 236086221 /nfs/dbraw/zinc/08/62/21/236086221.db2.gz CAPLSMLIJLDKSC-KXBFYZLASA-N 1 3 298.430 3.310 20 0 CGADHO CCOc1ccc([C@H](CC)[NH2+][C@H](C)[C@@H](C)N)cc1OCC ZINC000423453749 236074581 /nfs/dbraw/zinc/07/45/81/236074581.db2.gz YAPAVTLYKWEKDC-NFAWXSAZSA-N 1 3 294.439 3.260 20 0 CGADHO c1ccc([C@@H](NCCC[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000423480967 236083093 /nfs/dbraw/zinc/08/30/93/236083093.db2.gz NVSAOCCFUBMDCX-IEBWSBKVSA-N 1 3 295.430 3.293 20 0 CGADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCNC1CC1 ZINC000423553069 236098160 /nfs/dbraw/zinc/09/81/60/236098160.db2.gz KFEOMPNBQHMWGB-XJKSGUPXSA-N 1 3 258.409 3.275 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424372956 236158318 /nfs/dbraw/zinc/15/83/18/236158318.db2.gz IXUCRUHFWOVVAY-DAXOMENPSA-N 1 3 272.392 3.223 20 0 CGADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@H](C)N3CCCCC3)C[C@H]2C1 ZINC000424282610 236141850 /nfs/dbraw/zinc/14/18/50/236141850.db2.gz QTLCFRMGGDCUMH-IECFSIQFSA-N 1 3 294.483 3.044 20 0 CGADHO COCC(C)(C)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000426413030 236293599 /nfs/dbraw/zinc/29/35/99/236293599.db2.gz QUPAIRYJMFVZEQ-KRWDZBQOSA-N 1 3 296.499 3.103 20 0 CGADHO COCC(C)(C)C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000426413030 236293600 /nfs/dbraw/zinc/29/36/00/236293600.db2.gz QUPAIRYJMFVZEQ-KRWDZBQOSA-N 1 3 296.499 3.103 20 0 CGADHO COCC(C)(C)C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000426413030 236293602 /nfs/dbraw/zinc/29/36/02/236293602.db2.gz QUPAIRYJMFVZEQ-KRWDZBQOSA-N 1 3 296.499 3.103 20 0 CGADHO [NH3+]C1(CNCCCOc2ccc3ccccc3c2)CCC1 ZINC000342113112 216222191 /nfs/dbraw/zinc/22/21/91/216222191.db2.gz BACLOVPPAMILJM-UHFFFAOYSA-N 1 3 284.403 3.080 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000449089244 239171906 /nfs/dbraw/zinc/17/19/06/239171906.db2.gz JLQZJOXKGSGHOO-CSMYWGQOSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000449089244 239171912 /nfs/dbraw/zinc/17/19/12/239171912.db2.gz JLQZJOXKGSGHOO-CSMYWGQOSA-N 1 3 294.389 3.285 20 0 CGADHO COc1cc(F)cc(CNCCCCC[NH+]2CCCC2)c1 ZINC000449346131 239332701 /nfs/dbraw/zinc/33/27/01/239332701.db2.gz YLBJJYZAOQULAA-UHFFFAOYSA-N 1 3 294.414 3.190 20 0 CGADHO C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450727194 240054779 /nfs/dbraw/zinc/05/47/79/240054779.db2.gz LZUGZSNPSUQEGU-TZMCWYRMSA-N 1 3 286.410 3.274 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)C1(C)C ZINC000120703585 370792483 /nfs/dbraw/zinc/79/24/83/370792483.db2.gz OASBRQVSANIFIM-IAGOWNOFSA-N 1 3 290.451 3.041 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459429030 242104777 /nfs/dbraw/zinc/10/47/77/242104777.db2.gz QAFCZUMNFYYNAK-JKSUJKDBSA-N 1 3 280.843 3.345 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCNC1 ZINC000414919073 291390368 /nfs/dbraw/zinc/39/03/68/291390368.db2.gz VXKHTEAYBSHMLD-XQQFMLRXSA-N 1 3 278.362 3.087 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(C3CCC3)s2)C1 ZINC000459723018 242192406 /nfs/dbraw/zinc/19/24/06/242192406.db2.gz CITONZILTDSPIX-ZDUSSCGKSA-N 1 3 293.480 3.232 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(C3CCC3)s2)C1 ZINC000459723018 242192414 /nfs/dbraw/zinc/19/24/14/242192414.db2.gz CITONZILTDSPIX-ZDUSSCGKSA-N 1 3 293.480 3.232 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@@H](C1CC1)[NH+](C)C ZINC000462487685 242347943 /nfs/dbraw/zinc/34/79/43/242347943.db2.gz UNAMWTYGXJAEGF-INIZCTEOSA-N 1 3 283.419 3.026 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCNC1 ZINC000414822964 299380814 /nfs/dbraw/zinc/38/08/14/299380814.db2.gz NPPWKAKNABPNAZ-ZDEQEGDKSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1CC1(C)C ZINC000486985960 243393013 /nfs/dbraw/zinc/39/30/13/243393013.db2.gz XCVCXHOAKBCTAV-GOEBONIOSA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)N(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000124779157 370927890 /nfs/dbraw/zinc/92/78/90/370927890.db2.gz KZVNYJBEPIUGHP-KRWDZBQOSA-N 1 3 260.425 3.381 20 0 CGADHO CC(C)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000124779157 370927893 /nfs/dbraw/zinc/92/78/93/370927893.db2.gz KZVNYJBEPIUGHP-KRWDZBQOSA-N 1 3 260.425 3.381 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CCC[NH3+] ZINC000123355480 370911224 /nfs/dbraw/zinc/91/12/24/370911224.db2.gz WATGXVYIHWBICC-JTQLQIEISA-N 1 3 260.303 3.047 20 0 CGADHO c1ccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996998 369048464 /nfs/dbraw/zinc/04/84/64/369048464.db2.gz SXXYVJRSMPFUPQ-ZGUYJTEBSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036996998 369048466 /nfs/dbraw/zinc/04/84/66/369048466.db2.gz SXXYVJRSMPFUPQ-ZGUYJTEBSA-N 1 3 270.420 3.149 20 0 CGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccs1 ZINC000037374271 369083096 /nfs/dbraw/zinc/08/30/96/369083096.db2.gz BLPIUGJJCWFHJP-ZDUSSCGKSA-N 1 3 287.432 3.463 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649220 369094288 /nfs/dbraw/zinc/09/42/88/369094288.db2.gz UWYVFQNLABPWIN-LSDHHAIUSA-N 1 3 288.435 3.220 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649220 369094294 /nfs/dbraw/zinc/09/42/94/369094294.db2.gz UWYVFQNLABPWIN-LSDHHAIUSA-N 1 3 288.435 3.220 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644261 369095610 /nfs/dbraw/zinc/09/56/10/369095610.db2.gz SZJNJDOJTGUOHN-LSDHHAIUSA-N 1 3 272.436 3.168 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644261 369095612 /nfs/dbraw/zinc/09/56/12/369095612.db2.gz SZJNJDOJTGUOHN-LSDHHAIUSA-N 1 3 272.436 3.168 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644261 369095615 /nfs/dbraw/zinc/09/56/15/369095615.db2.gz SZJNJDOJTGUOHN-LSDHHAIUSA-N 1 3 272.436 3.168 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649217 369096033 /nfs/dbraw/zinc/09/60/33/369096033.db2.gz UWYVFQNLABPWIN-CABCVRRESA-N 1 3 288.435 3.220 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649217 369096038 /nfs/dbraw/zinc/09/60/38/369096038.db2.gz UWYVFQNLABPWIN-CABCVRRESA-N 1 3 288.435 3.220 20 0 CGADHO C[C@H]([NH2+]CCCN)C(c1ccccc1)c1ccccc1 ZINC000037713293 369100429 /nfs/dbraw/zinc/10/04/29/369100429.db2.gz MFDOKLGJDFVFLF-HNNXBMFYSA-N 1 3 268.404 3.145 20 0 CGADHO CCc1ccc(C[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000037997521 369136075 /nfs/dbraw/zinc/13/60/75/369136075.db2.gz QGBUSLYOBSOZAE-MRXNPFEDSA-N 1 3 274.452 3.461 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075693 369171697 /nfs/dbraw/zinc/17/16/97/369171697.db2.gz URWPDKCRHUZWIF-YOEHRIQHSA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000041075693 369171702 /nfs/dbraw/zinc/17/17/02/369171702.db2.gz URWPDKCRHUZWIF-YOEHRIQHSA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000041075693 369171708 /nfs/dbraw/zinc/17/17/08/369171708.db2.gz URWPDKCRHUZWIF-YOEHRIQHSA-N 1 3 258.409 3.069 20 0 CGADHO c1sc2ccccc2c1C[NH2+]CCCN1CCCC1 ZINC000049943333 369423719 /nfs/dbraw/zinc/42/37/19/369423719.db2.gz OYPDFBLDXMZKDK-UHFFFAOYSA-N 1 3 274.433 3.477 20 0 CGADHO C[C@]1(CNc2ccnc3ccccc32)CCC[NH2+]C1 ZINC000129403648 370986095 /nfs/dbraw/zinc/98/60/95/370986095.db2.gz SQIFBBMUMIAYBX-INIZCTEOSA-N 1 3 255.365 3.036 20 0 CGADHO C[C@@H](CNc1ccnc2ccccc21)C[NH+]1CCCC1 ZINC000062075270 369617828 /nfs/dbraw/zinc/61/78/28/369617828.db2.gz GTWXXHDSJGNERS-AWEZNQCLSA-N 1 3 269.392 3.379 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858096 369840331 /nfs/dbraw/zinc/84/03/31/369840331.db2.gz UZFYLCIANDFLGL-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858096 369840335 /nfs/dbraw/zinc/84/03/35/369840335.db2.gz UZFYLCIANDFLGL-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO C[C@@H](c1ccc(F)cc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000070169362 369786389 /nfs/dbraw/zinc/78/63/89/369786389.db2.gz OPLMIYIEJRSMGU-NWDGAFQWSA-N 1 3 268.351 3.087 20 0 CGADHO c1cnc2ccc(C[NH2+]CCCN3CCCCC3)cc2c1 ZINC000070185888 369788021 /nfs/dbraw/zinc/78/80/21/369788021.db2.gz POTVRVYTTPACHL-UHFFFAOYSA-N 1 3 283.419 3.200 20 0 CGADHO C[NH2+]CCC1CCN(CCOc2ccccc2Cl)CC1 ZINC000070189812 369788999 /nfs/dbraw/zinc/78/89/99/369788999.db2.gz CNYCRVUWSHQGPD-UHFFFAOYSA-N 1 3 296.842 3.040 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000076002070 369925136 /nfs/dbraw/zinc/92/51/36/369925136.db2.gz BPHKUIMRYWGDHH-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000076002070 369925137 /nfs/dbraw/zinc/92/51/37/369925137.db2.gz BPHKUIMRYWGDHH-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000076002070 369925139 /nfs/dbraw/zinc/92/51/39/369925139.db2.gz BPHKUIMRYWGDHH-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO C[C@H]1C[C@H](NCc2csc3ccccc23)CC[N@@H+]1C ZINC000090721148 370067026 /nfs/dbraw/zinc/06/70/26/370067026.db2.gz QFRBMBZTQITXHO-GXTWGEPZSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@H](NCc2csc3ccccc23)CC[N@H+]1C ZINC000090721148 370067031 /nfs/dbraw/zinc/06/70/31/370067031.db2.gz QFRBMBZTQITXHO-GXTWGEPZSA-N 1 3 274.433 3.474 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129584787 370994365 /nfs/dbraw/zinc/99/43/65/370994365.db2.gz IUHGICLPCOYWAR-JKIFEVAISA-N 1 3 260.425 3.382 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129584787 370994372 /nfs/dbraw/zinc/99/43/72/370994372.db2.gz IUHGICLPCOYWAR-JKIFEVAISA-N 1 3 260.425 3.382 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134885441 371372237 /nfs/dbraw/zinc/37/22/37/371372237.db2.gz BWHBJRRJHXZJOW-MJGOQNOKSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134885441 371372241 /nfs/dbraw/zinc/37/22/41/371372241.db2.gz BWHBJRRJHXZJOW-MJGOQNOKSA-N 1 3 284.447 3.444 20 0 CGADHO c1c2ccccc2sc1C[NH2+]CCCN1CCCC1 ZINC000135019256 371384520 /nfs/dbraw/zinc/38/45/20/371384520.db2.gz GWBXENCQOSPNHD-UHFFFAOYSA-N 1 3 274.433 3.477 20 0 CGADHO c1ccc([C@H]2C[C@@H]2C[NH2+]CCCN2CCCCC2)cc1 ZINC000135610982 371440676 /nfs/dbraw/zinc/44/06/76/371440676.db2.gz KWXXNSASFZIWOX-QZTJIDSGSA-N 1 3 272.436 3.256 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344029879 217018275 /nfs/dbraw/zinc/01/82/75/217018275.db2.gz CPOCRGWIMUXUPN-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000289150835 371750685 /nfs/dbraw/zinc/75/06/85/371750685.db2.gz GHEBPRFUTOBOMA-LBTNJELSSA-N 1 3 270.420 3.309 20 0 CGADHO C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150835 371750688 /nfs/dbraw/zinc/75/06/88/371750688.db2.gz GHEBPRFUTOBOMA-LBTNJELSSA-N 1 3 270.420 3.309 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766068 371792021 /nfs/dbraw/zinc/79/20/21/371792021.db2.gz RKUNWXVTRXIJNR-KBPBESRZSA-N 1 3 297.240 3.199 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H](C)C[C@H](C)[NH3+])cc2c1C ZINC000422699180 371757825 /nfs/dbraw/zinc/75/78/25/371757825.db2.gz AHZRMPKWOCEFSY-WDEREUQCSA-N 1 3 259.397 3.000 20 0 CGADHO Cc1ccccc1[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000422705666 371760274 /nfs/dbraw/zinc/76/02/74/371760274.db2.gz CQMGSGOAUPSXJZ-IXEWLPCDSA-N 1 3 270.420 3.319 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000422709004 371762245 /nfs/dbraw/zinc/76/22/45/371762245.db2.gz CROXYTGPUOISPL-MQIPJXDCSA-N 1 3 264.388 3.382 20 0 CGADHO COCCSc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422707504 371762430 /nfs/dbraw/zinc/76/24/30/371762430.db2.gz AGBUGJCWQJIPNF-MJBXVCDLSA-N 1 3 296.480 3.202 20 0 CGADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)c1ccccc1 ZINC000422716465 371765068 /nfs/dbraw/zinc/76/50/68/371765068.db2.gz UGTODAWIWUDQMM-KTFSGNIMSA-N 1 3 272.436 3.225 20 0 CGADHO COc1ccccc1C1(CN[C@@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000422739184 371777348 /nfs/dbraw/zinc/77/73/48/371777348.db2.gz KTWPFFRIVCCEKS-GJZGRUSLSA-N 1 3 290.451 3.222 20 0 CGADHO COc1ccccc1C1(C[NH2+][C@@H](C)C[C@H](C)N)CCCC1 ZINC000422739184 371777355 /nfs/dbraw/zinc/77/73/55/371777355.db2.gz KTWPFFRIVCCEKS-GJZGRUSLSA-N 1 3 290.451 3.222 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000422751487 371784093 /nfs/dbraw/zinc/78/40/93/371784093.db2.gz CUCBTMBYUMXGMJ-ZIAGYGMSSA-N 1 3 283.419 3.303 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422757964 371789092 /nfs/dbraw/zinc/78/90/92/371789092.db2.gz DJPQKABWLBSPIT-HOCLYGCPSA-N 1 3 278.465 3.065 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCSCc1ccccc1F ZINC000422761142 371790648 /nfs/dbraw/zinc/79/06/48/371790648.db2.gz HEWBHSUPMLPNOK-JKSUJKDBSA-N 1 3 296.455 3.309 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1cccc(Cl)c1 ZINC000422826869 371831334 /nfs/dbraw/zinc/83/13/34/371831334.db2.gz RIGWIIXVPLCBFC-SWLSCSKDSA-N 1 3 280.843 3.335 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Oc1ccccc1Cl ZINC000422836211 371833064 /nfs/dbraw/zinc/83/30/64/371833064.db2.gz JPQINBHLBFMNBP-GUTXKFCHSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Oc1ccccc1Cl ZINC000422836211 371833072 /nfs/dbraw/zinc/83/30/72/371833072.db2.gz JPQINBHLBFMNBP-GUTXKFCHSA-N 1 3 296.842 3.214 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772414 371796764 /nfs/dbraw/zinc/79/67/64/371796764.db2.gz YIMVZCZFVDEBDK-KGLIPLIRSA-N 1 3 286.341 3.455 20 0 CGADHO CC(C)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000422803339 371818170 /nfs/dbraw/zinc/81/81/70/371818170.db2.gz CSBLEALFMGHWQT-PVAVHDDUSA-N 1 3 260.425 3.014 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC1CCCC1 ZINC000422808372 371823170 /nfs/dbraw/zinc/82/31/70/371823170.db2.gz QFYVVSMVYCFBBJ-CYBMUJFWSA-N 1 3 275.440 3.470 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000422807698 371823331 /nfs/dbraw/zinc/82/33/31/371823331.db2.gz PBXXUVKIBLWSNC-DCAQKATOSA-N 1 3 272.339 3.064 20 0 CGADHO CCCCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422863611 371844990 /nfs/dbraw/zinc/84/49/90/371844990.db2.gz PCVBBNNWDNIBLY-KBPBESRZSA-N 1 3 294.439 3.090 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875182 371848263 /nfs/dbraw/zinc/84/82/63/371848263.db2.gz CDXQPSWEBLDXSR-KBPBESRZSA-N 1 3 270.779 3.229 20 0 CGADHO CCOCCC1(CN[C@@H](CC)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422882170 371851668 /nfs/dbraw/zinc/85/16/68/371851668.db2.gz AJYNDJMFGFANJO-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO CCOCCC1(C[NH2+][C@@H](CC)[C@@H]2CCCN2)CCCC1 ZINC000422882170 371851672 /nfs/dbraw/zinc/85/16/72/371851672.db2.gz AJYNDJMFGFANJO-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO CC(C)Oc1cccc([C@@H](C)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422883238 371853824 /nfs/dbraw/zinc/85/38/24/371853824.db2.gz QESCYIGWEUZWHB-BFHYXJOUSA-N 1 3 264.413 3.250 20 0 CGADHO Cc1ccc(OCCCCN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422894072 371857810 /nfs/dbraw/zinc/85/78/10/371857810.db2.gz BNAJTRLAKIYSFF-FUHWJXTLSA-N 1 3 290.451 3.274 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCCOc1ccc2ccccc2c1 ZINC000422892966 371857907 /nfs/dbraw/zinc/85/79/07/371857907.db2.gz ZYUWOQHKGZIYOO-QZTJIDSGSA-N 1 3 284.403 3.078 20 0 CGADHO CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422895574 371859185 /nfs/dbraw/zinc/85/91/85/371859185.db2.gz GEQNCPFJZCJHTA-DLBZAZTESA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc3sccc3c2)CC[N@@H+]1C ZINC000289947471 371859678 /nfs/dbraw/zinc/85/96/78/371859678.db2.gz WFOLLLABHHVTIQ-DOMZBBRYSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947471 371859685 /nfs/dbraw/zinc/85/96/85/371859685.db2.gz WFOLLLABHHVTIQ-DOMZBBRYSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000422932970 371877343 /nfs/dbraw/zinc/87/73/43/371877343.db2.gz BACLATJETLJFHW-DEYYWGMASA-N 1 3 272.436 3.214 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000422931534 371878674 /nfs/dbraw/zinc/87/86/74/371878674.db2.gz XTKYKGDBTIKYQT-GARJFASQSA-N 1 3 290.329 3.362 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1cccc2ccccc21 ZINC000422944442 371882850 /nfs/dbraw/zinc/88/28/50/371882850.db2.gz MGQWSEVPEONKBU-FUHWJXTLSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422944442 371882858 /nfs/dbraw/zinc/88/28/58/371882858.db2.gz MGQWSEVPEONKBU-FUHWJXTLSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422841698 371837400 /nfs/dbraw/zinc/83/74/00/371837400.db2.gz WQGLETLJYRWUTG-XIRDDKMYSA-N 1 3 290.476 3.124 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1SCCc2ccccc21 ZINC000422841698 371837403 /nfs/dbraw/zinc/83/74/03/371837403.db2.gz WQGLETLJYRWUTG-XIRDDKMYSA-N 1 3 290.476 3.124 20 0 CGADHO C[C@@H](N[C@@H](CC(C)(C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422852778 371840657 /nfs/dbraw/zinc/84/06/57/371840657.db2.gz BHIYDJMXYMYCAT-CJNGLKHVSA-N 1 3 260.425 3.361 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCN1 ZINC000422853049 371840951 /nfs/dbraw/zinc/84/09/51/371840951.db2.gz RUKMMMUCHQOYCL-QNWHQSFQSA-N 1 3 278.362 3.085 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)C1(C)C ZINC000344085100 217042627 /nfs/dbraw/zinc/04/26/27/217042627.db2.gz LTYLLBWKIFPOCU-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCO[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)C1(C)C ZINC000344085100 217042631 /nfs/dbraw/zinc/04/26/31/217042631.db2.gz LTYLLBWKIFPOCU-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)C ZINC000423053940 371937728 /nfs/dbraw/zinc/93/77/28/371937728.db2.gz BHACSPOBLMVLIF-JKXDFHQYSA-N 1 3 252.446 3.321 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(F)cc1Cl ZINC000422953929 371890321 /nfs/dbraw/zinc/89/03/21/371890321.db2.gz HADDVISYNIAVEA-LSDHHAIUSA-N 1 3 284.806 3.271 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422972833 371897410 /nfs/dbraw/zinc/89/74/10/371897410.db2.gz AMWLMJYDAZGDOS-FJIDUMEYSA-N 1 3 296.499 3.074 20 0 CGADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422972833 371897422 /nfs/dbraw/zinc/89/74/22/371897422.db2.gz AMWLMJYDAZGDOS-FJIDUMEYSA-N 1 3 296.499 3.074 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422986442 371903076 /nfs/dbraw/zinc/90/30/76/371903076.db2.gz GUSDIGBJDGDXSB-RHSMWYFYSA-N 1 3 290.426 3.126 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCO1 ZINC000422990786 371906244 /nfs/dbraw/zinc/90/62/44/371906244.db2.gz NYWJPHHAVUWQIX-ZKXLYKBJSA-N 1 3 294.483 3.090 20 0 CGADHO COc1cccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000423000254 371908727 /nfs/dbraw/zinc/90/87/27/371908727.db2.gz GMLNARGMDGKVFI-RHSMWYFYSA-N 1 3 290.451 3.080 20 0 CGADHO CCOC1CC([NH2+][C@@H]2CCCC[C@H]2CN(CC)CC)C1 ZINC000344113625 217057510 /nfs/dbraw/zinc/05/75/10/217057510.db2.gz WABGYKKEXLGEEI-ZGRYLRDCSA-N 1 3 282.472 3.044 20 0 CGADHO CCOC1CC(N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)C1 ZINC000344113625 217057513 /nfs/dbraw/zinc/05/75/13/217057513.db2.gz WABGYKKEXLGEEI-ZGRYLRDCSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423064305 371943758 /nfs/dbraw/zinc/94/37/58/371943758.db2.gz QXBJMMQXIOXZMH-NWDGAFQWSA-N 1 3 293.842 3.090 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423018831 371918399 /nfs/dbraw/zinc/91/83/99/371918399.db2.gz ZXMUMXKETDSDGC-UKRRQHHQSA-N 1 3 252.446 3.181 20 0 CGADHO COCCC1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000423067142 371944302 /nfs/dbraw/zinc/94/43/02/371944302.db2.gz YPLFKTKATHHDTG-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO CS[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423027844 371925182 /nfs/dbraw/zinc/92/51/82/371925182.db2.gz FEAOVHJSBPNRKN-RRFJBIMHSA-N 1 3 278.465 3.499 20 0 CGADHO CS[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C(C)(C)C ZINC000423027844 371925188 /nfs/dbraw/zinc/92/51/88/371925188.db2.gz FEAOVHJSBPNRKN-RRFJBIMHSA-N 1 3 278.465 3.499 20 0 CGADHO C[C@@H](CCCC[NH3+])NC1(c2ccc(F)cc2F)CCC1 ZINC000423032060 371925309 /nfs/dbraw/zinc/92/53/09/371925309.db2.gz VMAWTICQNVIIQX-LBPRGKRZSA-N 1 3 282.378 3.451 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423038547 371927811 /nfs/dbraw/zinc/92/78/11/371927811.db2.gz CZXSXXIOURLZIJ-SRVKXCTJSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423038547 371927819 /nfs/dbraw/zinc/92/78/19/371927819.db2.gz CZXSXXIOURLZIJ-SRVKXCTJSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000423046178 371931316 /nfs/dbraw/zinc/93/13/16/371931316.db2.gz FAPOKACJMKAHRL-FHIRATQRSA-N 1 3 260.425 3.416 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423049344 371933278 /nfs/dbraw/zinc/93/32/78/371933278.db2.gz JPRLEYSBSWMZLX-YOEHRIQHSA-N 1 3 296.405 3.395 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096917 371961279 /nfs/dbraw/zinc/96/12/79/371961279.db2.gz PZAAAUDLNMEWSR-AYMQEEERSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096917 371961284 /nfs/dbraw/zinc/96/12/84/371961284.db2.gz PZAAAUDLNMEWSR-AYMQEEERSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423101278 371965497 /nfs/dbraw/zinc/96/54/97/371965497.db2.gz VTXKQHATMYKMBY-FQUUOJAGSA-N 1 3 264.388 3.177 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423101311 371965953 /nfs/dbraw/zinc/96/59/53/371965953.db2.gz VZTJTRZSTXGRJB-WSMBLCCSSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423104256 371967710 /nfs/dbraw/zinc/96/77/10/371967710.db2.gz YDAVRYBDNZVUJX-UOJCXKCYSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423123365 371976685 /nfs/dbraw/zinc/97/66/85/371976685.db2.gz MMNAGENLFNSPRE-SCRDCRAPSA-N 1 3 288.357 3.123 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1COc2ccccc21 ZINC000423125509 371978803 /nfs/dbraw/zinc/97/88/03/371978803.db2.gz QTNXTZPWTLQXPX-OAGGEKHMSA-N 1 3 288.435 3.063 20 0 CGADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc(C)c1O ZINC000290393983 371980897 /nfs/dbraw/zinc/98/08/97/371980897.db2.gz OVLMRNODRMHJIE-MRXNPFEDSA-N 1 3 290.451 3.219 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccncc1 ZINC000156462247 371981028 /nfs/dbraw/zinc/98/10/28/371981028.db2.gz SZJPEBFNGXBGOS-MRXNPFEDSA-N 1 3 275.440 3.244 20 0 CGADHO CC[C@H](NC[C@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423132874 371982488 /nfs/dbraw/zinc/98/24/88/371982488.db2.gz PPWIJJBUQLWGOD-IHRRRGAJSA-N 1 3 274.399 3.322 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCCN1 ZINC000423132874 371982494 /nfs/dbraw/zinc/98/24/94/371982494.db2.gz PPWIJJBUQLWGOD-IHRRRGAJSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423142524 371988476 /nfs/dbraw/zinc/98/84/76/371988476.db2.gz AKPRAFNBNLJTEQ-KYJSFNMBSA-N 1 3 272.436 3.084 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000423152457 371994266 /nfs/dbraw/zinc/99/42/66/371994266.db2.gz FCQCFPQUOLBWBU-XSLAGTTESA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423167723 372000236 /nfs/dbraw/zinc/00/02/36/372000236.db2.gz FPZQUXRDHQXREX-QWHCGFSZSA-N 1 3 280.843 3.378 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423167723 372000243 /nfs/dbraw/zinc/00/02/43/372000243.db2.gz FPZQUXRDHQXREX-QWHCGFSZSA-N 1 3 280.843 3.378 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Cc1ccccc1 ZINC000423073421 371947737 /nfs/dbraw/zinc/94/77/37/371947737.db2.gz RLVNYTGFFMYZDH-FGTMMUONSA-N 1 3 274.452 3.218 20 0 CGADHO Cc1cccc(OCCCN[C@H]2CCCCC[C@H]2[NH3+])c1C ZINC000423080112 371952702 /nfs/dbraw/zinc/95/27/02/371952702.db2.gz BLHNLVVXBGTJLT-SJORKVTESA-N 1 3 290.451 3.322 20 0 CGADHO Fc1ccc([C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423084233 371953995 /nfs/dbraw/zinc/95/39/95/371953995.db2.gz HCUCGHPQJSTGKH-KQBLMWHVSA-N 1 3 288.410 3.334 20 0 CGADHO [NH3+]CCCN[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423188100 372015765 /nfs/dbraw/zinc/01/57/65/372015765.db2.gz LGLHCETVXKAXBU-KRWDZBQOSA-N 1 3 272.367 3.048 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000423398151 372060441 /nfs/dbraw/zinc/06/04/41/372060441.db2.gz UAZOZHIVGAEOEN-NFAWXSAZSA-N 1 3 264.800 3.187 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000423209222 372032387 /nfs/dbraw/zinc/03/23/87/372032387.db2.gz ILIFIRGUKPQYSZ-SUMWQHHRSA-N 1 3 292.854 3.250 20 0 CGADHO Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000423215456 372036018 /nfs/dbraw/zinc/03/60/18/372036018.db2.gz NYUJKGZBBQETQO-NUEKZKHPSA-N 1 3 278.827 3.003 20 0 CGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423218386 372037424 /nfs/dbraw/zinc/03/74/24/372037424.db2.gz RXZPCGDQZWNDFV-LXZKKBNFSA-N 1 3 276.424 3.124 20 0 CGADHO CCCC[C@@H](CN)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423297672 372049524 /nfs/dbraw/zinc/04/95/24/372049524.db2.gz LHORTLNYUHBVJV-JSGCOSHPSA-N 1 3 282.428 3.470 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000423389155 372058819 /nfs/dbraw/zinc/05/88/19/372058819.db2.gz OAJVXDYPKNUXRQ-IKGGRYGDSA-N 1 3 258.409 3.306 20 0 CGADHO c1coc([C@@H]2C[C@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423174880 372004135 /nfs/dbraw/zinc/00/41/35/372004135.db2.gz CVHORYRUXNIUAD-YLFCFFPRSA-N 1 3 282.387 3.218 20 0 CGADHO CCCCc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423180679 372008917 /nfs/dbraw/zinc/00/89/17/372008917.db2.gz IIPVBSOYDTZPEW-CQSZACIVSA-N 1 3 260.425 3.432 20 0 CGADHO c1ccc(CN2CCC[C@@H]3C[N@H+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116951 372108616 /nfs/dbraw/zinc/10/86/16/372108616.db2.gz DOTFHGKDWRWHOM-MOPGFXCFSA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116951 372108621 /nfs/dbraw/zinc/10/86/21/372108621.db2.gz DOTFHGKDWRWHOM-MOPGFXCFSA-N 1 3 284.447 3.383 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1SC ZINC000425338260 372122350 /nfs/dbraw/zinc/12/23/50/372122350.db2.gz AXGFKKUASXTNBB-YHUYYLMFSA-N 1 3 284.513 3.371 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@H]1SC ZINC000425338260 372122355 /nfs/dbraw/zinc/12/23/55/372122355.db2.gz AXGFKKUASXTNBB-YHUYYLMFSA-N 1 3 284.513 3.371 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000423462681 372066007 /nfs/dbraw/zinc/06/60/07/372066007.db2.gz DSYYTCIUJZLOOD-ZFOGPFJYSA-N 1 3 290.426 3.153 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000159296918 372129164 /nfs/dbraw/zinc/12/91/64/372129164.db2.gz YULNLAFJWYYBDB-GFCCVEGCSA-N 1 3 278.465 3.372 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160043322 372206902 /nfs/dbraw/zinc/20/69/02/372206902.db2.gz LLDBEDBLOOXQFK-GDLCADMTSA-N 1 3 297.240 3.370 20 0 CGADHO COc1ccc(CNCCCCC[NH+]2CCCC2)cc1F ZINC000292983966 372268993 /nfs/dbraw/zinc/26/89/93/372268993.db2.gz LLINOSQJBWKZEG-UHFFFAOYSA-N 1 3 294.414 3.190 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2nc(C)sc2C)CC1 ZINC000044517624 541872345 /nfs/dbraw/zinc/87/23/45/541872345.db2.gz HPRXLKYRQXPMJP-NSHDSACASA-N 1 3 281.469 3.142 20 0 CGADHO Cc1sccc1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000293427652 372382002 /nfs/dbraw/zinc/38/20/02/372382002.db2.gz AWEMFIPNOAHAJT-KGLIPLIRSA-N 1 3 252.427 3.019 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)s1)CN(C)C ZINC000293765494 372475060 /nfs/dbraw/zinc/47/50/60/372475060.db2.gz SINMFWQMZJHRQS-NXEZZACHSA-N 1 3 260.834 3.250 20 0 CGADHO Cc1sccc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000293772455 372477517 /nfs/dbraw/zinc/47/75/17/372477517.db2.gz BGTVMPJBORWVJU-MRXNPFEDSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1sccc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000293772455 372477524 /nfs/dbraw/zinc/47/75/24/372477524.db2.gz BGTVMPJBORWVJU-MRXNPFEDSA-N 1 3 278.465 3.220 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000293778902 372479628 /nfs/dbraw/zinc/47/96/28/372479628.db2.gz SSXCQMKPBNBIBT-MHORFTMASA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000293778902 372479632 /nfs/dbraw/zinc/47/96/32/372479632.db2.gz SSXCQMKPBNBIBT-MHORFTMASA-N 1 3 270.420 3.007 20 0 CGADHO CC[C@@H](COC)NCc1cccc(C[NH+](CC)CC)c1 ZINC000163569957 372479698 /nfs/dbraw/zinc/47/96/98/372479698.db2.gz IDBCCLAVTYRZPL-KRWDZBQOSA-N 1 3 278.440 3.043 20 0 CGADHO Cc1ccnc([C@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293670324 372444739 /nfs/dbraw/zinc/44/47/39/372444739.db2.gz JJKUAQJKDOAXRB-INIZCTEOSA-N 1 3 275.440 3.307 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163195052 372453389 /nfs/dbraw/zinc/45/33/89/372453389.db2.gz ZPYWBCFGIIIWJR-HIFRSBDPSA-N 1 3 260.425 3.153 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1F ZINC000168755060 372619100 /nfs/dbraw/zinc/61/91/00/372619100.db2.gz OKGBQTQRQZIJMH-DYVFJYSZSA-N 1 3 276.399 3.351 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000294236486 372622682 /nfs/dbraw/zinc/62/26/82/372622682.db2.gz OSMJLXRVTHFNRU-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO CCSc1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000435381579 372755499 /nfs/dbraw/zinc/75/54/99/372755499.db2.gz WYYLCBGMZGEHLR-ZDUSSCGKSA-N 1 3 278.465 3.358 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000438180979 372905359 /nfs/dbraw/zinc/90/53/59/372905359.db2.gz QQQFUISDTNMBHC-IAGOWNOFSA-N 1 3 290.451 3.308 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212241 372914943 /nfs/dbraw/zinc/91/49/43/372914943.db2.gz HFCDMVZYMUZSJG-GDBMZVCRSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212241 372914954 /nfs/dbraw/zinc/91/49/54/372914954.db2.gz HFCDMVZYMUZSJG-GDBMZVCRSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1ccsc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353500178 220119228 /nfs/dbraw/zinc/11/92/28/220119228.db2.gz WTVQLNBLNHFJGW-BFHYXJOUSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353500178 220119230 /nfs/dbraw/zinc/11/92/30/220119230.db2.gz WTVQLNBLNHFJGW-BFHYXJOUSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353500178 220119232 /nfs/dbraw/zinc/11/92/32/220119232.db2.gz WTVQLNBLNHFJGW-BFHYXJOUSA-N 1 3 264.438 3.019 20 0 CGADHO CN(CCC1CCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441384694 373003158 /nfs/dbraw/zinc/00/31/58/373003158.db2.gz UZDANQCKFFTBLU-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CN(CCC1CCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000441384694 373003164 /nfs/dbraw/zinc/00/31/64/373003164.db2.gz UZDANQCKFFTBLU-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296052807 373006254 /nfs/dbraw/zinc/00/62/54/373006254.db2.gz VHSZCNXBUFSJJV-VONXNBHVSA-N 1 3 270.420 3.135 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052807 373006260 /nfs/dbraw/zinc/00/62/60/373006260.db2.gz VHSZCNXBUFSJJV-VONXNBHVSA-N 1 3 270.420 3.135 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1COc1ccccc1 ZINC000296363977 373104185 /nfs/dbraw/zinc/10/41/85/373104185.db2.gz RBSXIDFWNVBKIS-SJORKVTESA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1COc1ccccc1 ZINC000296363977 373104190 /nfs/dbraw/zinc/10/41/90/373104190.db2.gz RBSXIDFWNVBKIS-SJORKVTESA-N 1 3 288.435 3.014 20 0 CGADHO CCc1ccccc1CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000444651420 373222043 /nfs/dbraw/zinc/22/20/43/373222043.db2.gz GLDJSHSAZDZGTF-QGZVFWFLSA-N 1 3 286.463 3.209 20 0 CGADHO CCC[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000444600941 373209391 /nfs/dbraw/zinc/20/93/91/373209391.db2.gz XFASHMLKLNULRV-MRXNPFEDSA-N 1 3 252.446 3.375 20 0 CGADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000177944630 373726691 /nfs/dbraw/zinc/72/66/91/373726691.db2.gz SVLPJDIABDGMNU-KBXCAEBGSA-N 1 3 284.447 3.483 20 0 CGADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944630 373726699 /nfs/dbraw/zinc/72/66/99/373726699.db2.gz SVLPJDIABDGMNU-KBXCAEBGSA-N 1 3 284.447 3.483 20 0 CGADHO Cc1nn(C)cc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000178097417 373744120 /nfs/dbraw/zinc/74/41/20/373744120.db2.gz JXUFPWPCDYNUOD-LSDHHAIUSA-N 1 3 292.471 3.034 20 0 CGADHO Cc1nn(C)cc1[C@@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000178097417 373744127 /nfs/dbraw/zinc/74/41/27/373744127.db2.gz JXUFPWPCDYNUOD-LSDHHAIUSA-N 1 3 292.471 3.034 20 0 CGADHO CC(C)c1ccc(CCN2CCC(C)([NH3+])CC2)cc1 ZINC000071586981 541895741 /nfs/dbraw/zinc/89/57/41/541895741.db2.gz QFBWJVQOCGMXEK-UHFFFAOYSA-N 1 3 260.425 3.166 20 0 CGADHO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000180274638 373987150 /nfs/dbraw/zinc/98/71/50/373987150.db2.gz KRILIFVTSYDTMX-FGTMMUONSA-N 1 3 297.446 3.100 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](CC)c1ccccc1F ZINC000180735968 374041295 /nfs/dbraw/zinc/04/12/95/374041295.db2.gz MEENXSDUEZRMNG-WMLDXEAASA-N 1 3 296.430 3.223 20 0 CGADHO C[NH+](C)C1CCC(NCc2ccc(Cl)cc2F)CC1 ZINC000353677394 220250693 /nfs/dbraw/zinc/25/06/93/220250693.db2.gz YNCTXQGQLRCVGT-UHFFFAOYSA-N 1 3 284.806 3.442 20 0 CGADHO Cc1csc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000453330406 374424583 /nfs/dbraw/zinc/42/45/83/374424583.db2.gz YTWVBYAKGLXGDJ-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000453330406 374424589 /nfs/dbraw/zinc/42/45/89/374424589.db2.gz YTWVBYAKGLXGDJ-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000453330406 374424593 /nfs/dbraw/zinc/42/45/93/374424593.db2.gz YTWVBYAKGLXGDJ-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(Cl)cc2Cl)C1 ZINC000093209832 541980067 /nfs/dbraw/zinc/98/00/67/541980067.db2.gz UOLSAIZWWMNTBD-OLZOCXBDSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000093209832 541980072 /nfs/dbraw/zinc/98/00/72/541980072.db2.gz UOLSAIZWWMNTBD-OLZOCXBDSA-N 1 3 287.234 3.395 20 0 CGADHO CC(C)CCOCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665582 374707461 /nfs/dbraw/zinc/70/74/61/374707461.db2.gz YCRANBHYMBVRJJ-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665582 374707469 /nfs/dbraw/zinc/70/74/69/374707469.db2.gz YCRANBHYMBVRJJ-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185665582 374707477 /nfs/dbraw/zinc/70/74/77/374707477.db2.gz YCRANBHYMBVRJJ-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO Clc1cccc([C@H]2CC[C@H]([NH2+]C3CCNCC3)C2)c1 ZINC000335021272 375075686 /nfs/dbraw/zinc/07/56/86/375075686.db2.gz GMNLHRWGNQZTHN-BBRMVZONSA-N 1 3 278.827 3.318 20 0 CGADHO CC[C@@H](C)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000187723963 375080913 /nfs/dbraw/zinc/08/09/13/375080913.db2.gz VGVMTWMCQMWAMM-OAHLLOKOSA-N 1 3 275.440 3.418 20 0 CGADHO CC[C@@H](C)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000187723963 375080919 /nfs/dbraw/zinc/08/09/19/375080919.db2.gz VGVMTWMCQMWAMM-OAHLLOKOSA-N 1 3 275.440 3.418 20 0 CGADHO CC(C)[C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000474153785 375085848 /nfs/dbraw/zinc/08/58/48/375085848.db2.gz NWMVJOVYGGFXPS-GOSISDBHSA-N 1 3 274.452 3.452 20 0 CGADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000480788268 375160775 /nfs/dbraw/zinc/16/07/75/375160775.db2.gz QXUNUMULMCHEJW-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CC[C@H](C[NH3+])C1 ZINC000050245145 296226341 /nfs/dbraw/zinc/22/63/41/296226341.db2.gz YHKUHYSRBMIRCS-UONOGXRCSA-N 1 3 260.425 3.326 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCOC(C)(C)C ZINC000482130417 375167373 /nfs/dbraw/zinc/16/73/73/375167373.db2.gz DVPORXSCDBITKL-HZPDHXFCSA-N 1 3 284.488 3.292 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000482130417 375167380 /nfs/dbraw/zinc/16/73/80/375167380.db2.gz DVPORXSCDBITKL-HZPDHXFCSA-N 1 3 284.488 3.292 20 0 CGADHO CC[N@H+](C)Cc1cccc(CNC/C=C\c2ccncc2)c1 ZINC000487303732 375222503 /nfs/dbraw/zinc/22/25/03/375222503.db2.gz LAFQIFJNNQSPAV-YVMONPNESA-N 1 3 295.430 3.336 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CNC/C=C\c2ccncc2)c1 ZINC000487303732 375222510 /nfs/dbraw/zinc/22/25/10/375222510.db2.gz LAFQIFJNNQSPAV-YVMONPNESA-N 1 3 295.430 3.336 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000488719491 375313511 /nfs/dbraw/zinc/31/35/11/375313511.db2.gz WNCPEYRNBWEYMR-LJQANCHMSA-N 1 3 295.430 3.384 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000488719491 375313515 /nfs/dbraw/zinc/31/35/15/375313515.db2.gz WNCPEYRNBWEYMR-LJQANCHMSA-N 1 3 295.430 3.384 20 0 CGADHO CC(C)OC1CC([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000189567957 375413206 /nfs/dbraw/zinc/41/32/06/375413206.db2.gz IKABMNMGDYRSCD-MHAAMQRSSA-N 1 3 294.483 3.185 20 0 CGADHO CC[C@@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000125270172 542036195 /nfs/dbraw/zinc/03/61/95/542036195.db2.gz IMGAJLGYUGBNFJ-SFHVURJKSA-N 1 3 281.403 3.355 20 0 CGADHO C[C@@H](c1ccc(F)cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000336129364 375708735 /nfs/dbraw/zinc/70/87/35/375708735.db2.gz APLUSTCERQTXOK-LBPRGKRZSA-N 1 3 280.362 3.101 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC2)CC1 ZINC000336613984 375875622 /nfs/dbraw/zinc/87/56/22/375875622.db2.gz PKWYKWNXEXZLFS-XJKSGUPXSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CCC2)CC1 ZINC000336613984 375875630 /nfs/dbraw/zinc/87/56/30/375875630.db2.gz PKWYKWNXEXZLFS-XJKSGUPXSA-N 1 3 250.430 3.172 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](C)COc2cccc(C)c2)CC1 ZINC000132268759 542075167 /nfs/dbraw/zinc/07/51/67/542075167.db2.gz ZUPRSNQRLJBDHZ-INIZCTEOSA-N 1 3 290.451 3.226 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215971477 376154875 /nfs/dbraw/zinc/15/48/75/376154875.db2.gz YJPLPKFIIHOMHZ-UONOGXRCSA-N 1 3 284.403 3.018 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C2(CC)CC)C1 ZINC000537296789 376160492 /nfs/dbraw/zinc/16/04/92/376160492.db2.gz ZZIQGQNJPLUODU-IXDOHACOSA-N 1 3 296.499 3.292 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000538750744 376267331 /nfs/dbraw/zinc/26/73/31/376267331.db2.gz WGWXTOVYBQHYQS-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000538750744 376267335 /nfs/dbraw/zinc/26/73/35/376267335.db2.gz WGWXTOVYBQHYQS-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000538750744 376267340 /nfs/dbraw/zinc/26/73/40/376267340.db2.gz WGWXTOVYBQHYQS-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](CC[N@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000226450529 376361605 /nfs/dbraw/zinc/36/16/05/376361605.db2.gz KFKBICDWYAVUGA-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO C[C@H](CC[N@@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000226450529 376361607 /nfs/dbraw/zinc/36/16/07/376361607.db2.gz KFKBICDWYAVUGA-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO C[C@H](CCN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000226450529 376361609 /nfs/dbraw/zinc/36/16/09/376361609.db2.gz KFKBICDWYAVUGA-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@@H](CN3CCCC3)C1)C2 ZINC000541987396 376498944 /nfs/dbraw/zinc/49/89/44/376498944.db2.gz ZJMSZKSLLGBBKB-ROUUACIJSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@@H](CN3CCCC3)C1)C2 ZINC000541987396 376498956 /nfs/dbraw/zinc/49/89/56/376498956.db2.gz ZJMSZKSLLGBBKB-ROUUACIJSA-N 1 3 298.474 3.209 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000422802997 299999131 /nfs/dbraw/zinc/99/91/31/299999131.db2.gz CFCCELBNPZLQNJ-GFJIZPEISA-N 1 3 292.389 3.333 20 0 CGADHO Cc1cccc([C@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000543254347 376627044 /nfs/dbraw/zinc/62/70/44/376627044.db2.gz YBXASOYAEMFKAR-ROUUACIJSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1cccc([C@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254347 376627053 /nfs/dbraw/zinc/62/70/53/376627053.db2.gz YBXASOYAEMFKAR-ROUUACIJSA-N 1 3 272.436 3.269 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000544895521 376770002 /nfs/dbraw/zinc/77/00/02/376770002.db2.gz YOFKXYRSSMNGSP-CVEARBPZSA-N 1 3 254.462 3.476 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000544895521 376770005 /nfs/dbraw/zinc/77/00/05/376770005.db2.gz YOFKXYRSSMNGSP-CVEARBPZSA-N 1 3 254.462 3.476 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426822 376812865 /nfs/dbraw/zinc/81/28/65/376812865.db2.gz LNWMEUINKOFWQO-YJBOKZPZSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426822 376812871 /nfs/dbraw/zinc/81/28/71/376812871.db2.gz LNWMEUINKOFWQO-YJBOKZPZSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683368 376879924 /nfs/dbraw/zinc/87/99/24/376879924.db2.gz AAJKEEOBGAXFPV-YJBOKZPZSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000245683368 376879926 /nfs/dbraw/zinc/87/99/26/376879926.db2.gz AAJKEEOBGAXFPV-YJBOKZPZSA-N 1 3 274.452 3.466 20 0 CGADHO COc1cccc2c(CNC[C@@H]3CCC[N@H+](C)C3)cccc12 ZINC000560114590 377123993 /nfs/dbraw/zinc/12/39/93/377123993.db2.gz NTJBPTJBKPURPH-HNNXBMFYSA-N 1 3 298.430 3.280 20 0 CGADHO COc1cccc2c(CNC[C@@H]3CCC[N@@H+](C)C3)cccc12 ZINC000560114590 377124001 /nfs/dbraw/zinc/12/40/01/377124001.db2.gz NTJBPTJBKPURPH-HNNXBMFYSA-N 1 3 298.430 3.280 20 0 CGADHO CCC(CC)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246821830 377097794 /nfs/dbraw/zinc/09/77/94/377097794.db2.gz RJJPMMLKEPSRDP-DOTOQJQBSA-N 1 3 264.457 3.371 20 0 CGADHO CCC(CC)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246821830 377097799 /nfs/dbraw/zinc/09/77/99/377097799.db2.gz RJJPMMLKEPSRDP-DOTOQJQBSA-N 1 3 264.457 3.371 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000247053080 377149871 /nfs/dbraw/zinc/14/98/71/377149871.db2.gz MGEAGKCBIOIYJA-RDJZCZTQSA-N 1 3 290.451 3.214 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000247154213 377169823 /nfs/dbraw/zinc/16/98/23/377169823.db2.gz TVXAJWGMZMJTMX-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247982149 377252990 /nfs/dbraw/zinc/25/29/90/377252990.db2.gz ILFZCCIHJRSJBV-NEWSRXKRSA-N 1 3 286.463 3.424 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247982149 377252994 /nfs/dbraw/zinc/25/29/94/377252994.db2.gz ILFZCCIHJRSJBV-NEWSRXKRSA-N 1 3 286.463 3.424 20 0 CGADHO C[NH+](C)CC1CCN(CCSc2ccc(F)cc2)CC1 ZINC000341174369 377433218 /nfs/dbraw/zinc/43/32/18/377433218.db2.gz PRBBLAWGIBOVKJ-UHFFFAOYSA-N 1 3 296.455 3.191 20 0 CGADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000248853822 377413120 /nfs/dbraw/zinc/41/31/20/377413120.db2.gz KIHBUTLLQMJDMY-YLFCFFPRSA-N 1 3 296.499 3.290 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905411 249127594 /nfs/dbraw/zinc/12/75/94/249127594.db2.gz IIMIEDKDSHIJCT-ZBFHGGJFSA-N 1 3 290.476 3.418 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905411 249127596 /nfs/dbraw/zinc/12/75/96/249127596.db2.gz IIMIEDKDSHIJCT-ZBFHGGJFSA-N 1 3 290.476 3.418 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@H]([C@@H](C)N)C1)c1ccccc1 ZINC000469858120 249160160 /nfs/dbraw/zinc/16/01/60/249160160.db2.gz BFJWRIVUJPHFRW-HYVNUMGLSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@H]([C@@H](C)N)C1)c1ccccc1 ZINC000469858120 249160163 /nfs/dbraw/zinc/16/01/63/249160163.db2.gz BFJWRIVUJPHFRW-HYVNUMGLSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671752 377561349 /nfs/dbraw/zinc/56/13/49/377561349.db2.gz DCVYSTQFJWVYDB-KGLIPLIRSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671752 377561357 /nfs/dbraw/zinc/56/13/57/377561357.db2.gz DCVYSTQFJWVYDB-KGLIPLIRSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671752 377561368 /nfs/dbraw/zinc/56/13/68/377561368.db2.gz DCVYSTQFJWVYDB-KGLIPLIRSA-N 1 3 296.405 3.388 20 0 CGADHO CCC[C@@H](CN1CC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021237 249166526 /nfs/dbraw/zinc/16/65/26/249166526.db2.gz SOQAPZQPUANADW-WBVHZDCISA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@@H](C[N@@H+]1CC[C@H](CNC)C1)c1ccccc1 ZINC000470021237 249166528 /nfs/dbraw/zinc/16/65/28/249166528.db2.gz SOQAPZQPUANADW-WBVHZDCISA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@@H](C[N@H+]1CC[C@H](CNC)C1)c1ccccc1 ZINC000470021237 249166531 /nfs/dbraw/zinc/16/65/31/249166531.db2.gz SOQAPZQPUANADW-WBVHZDCISA-N 1 3 260.425 3.112 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650830 249240185 /nfs/dbraw/zinc/24/01/85/249240185.db2.gz VAXBMQFJONVVSI-WMZOPIPTSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650830 249240189 /nfs/dbraw/zinc/24/01/89/249240189.db2.gz VAXBMQFJONVVSI-WMZOPIPTSA-N 1 3 274.452 3.358 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@H](c2ccccc2)C(C)C)C1 ZINC000516650830 249240192 /nfs/dbraw/zinc/24/01/92/249240192.db2.gz VAXBMQFJONVVSI-WMZOPIPTSA-N 1 3 274.452 3.358 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000251330944 377580921 /nfs/dbraw/zinc/58/09/21/377580921.db2.gz OGNWEZLRTROZDT-YVSFHVDLSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)CN1CCCC1 ZINC000251838060 377600280 /nfs/dbraw/zinc/60/02/80/377600280.db2.gz NYLPVYHSOCAPMN-QKPAOTATSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](Cc1ccsc1)NCC[N@@H+]1CCCC1(C)C ZINC000574126634 377623243 /nfs/dbraw/zinc/62/32/43/377623243.db2.gz WQCZULBBLXCARA-CYBMUJFWSA-N 1 3 266.454 3.143 20 0 CGADHO C[C@H](Cc1ccsc1)NCC[N@H+]1CCCC1(C)C ZINC000574126634 377623250 /nfs/dbraw/zinc/62/32/50/377623250.db2.gz WQCZULBBLXCARA-CYBMUJFWSA-N 1 3 266.454 3.143 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000253296190 377683382 /nfs/dbraw/zinc/68/33/82/377683382.db2.gz OAWWJJYJQKWVGH-QLFBSQMISA-N 1 3 270.486 3.125 20 0 CGADHO Cc1ncncc1[C@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000574822562 377714931 /nfs/dbraw/zinc/71/49/31/377714931.db2.gz KTLCNBQRGIXOOO-CABCVRRESA-N 1 3 290.455 3.090 20 0 CGADHO Cc1ncncc1[C@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000574822562 377714934 /nfs/dbraw/zinc/71/49/34/377714934.db2.gz KTLCNBQRGIXOOO-CABCVRRESA-N 1 3 290.455 3.090 20 0 CGADHO CC[C@@H]1CCC[C@@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000182998053 542227036 /nfs/dbraw/zinc/22/70/36/542227036.db2.gz STKWTFUOVBKOMW-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261911304 377867396 /nfs/dbraw/zinc/86/73/96/377867396.db2.gz YHZMQDONYMNDLO-ZWKOTPCHSA-N 1 3 272.436 3.440 20 0 CGADHO CCCN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261976404 377873880 /nfs/dbraw/zinc/87/38/80/377873880.db2.gz ITDJPHTUPZPCRA-OALUTQOASA-N 1 3 286.463 3.256 20 0 CGADHO C[C@@]1(CN2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007824 377877858 /nfs/dbraw/zinc/87/78/58/377877858.db2.gz LZIBISMKZBDBKN-GDBMZVCRSA-N 1 3 278.827 3.129 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)cc1C ZINC000262115694 377888902 /nfs/dbraw/zinc/88/89/02/377888902.db2.gz WWBLFDSBXPZZNY-ROUUACIJSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261734869 377848268 /nfs/dbraw/zinc/84/82/68/377848268.db2.gz HSHJIYIGFLPRCY-IAGOWNOFSA-N 1 3 258.409 3.132 20 0 CGADHO C[C@]1(CN2CCC[C@@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769169 377851585 /nfs/dbraw/zinc/85/15/85/377851585.db2.gz MLNWTDMVMAINFN-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC000575956532 378002749 /nfs/dbraw/zinc/00/27/49/378002749.db2.gz WQQMNPLIZLSLBX-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000575956532 378002751 /nfs/dbraw/zinc/00/27/51/378002751.db2.gz WQQMNPLIZLSLBX-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2c1C ZINC000579859351 378203569 /nfs/dbraw/zinc/20/35/69/378203569.db2.gz PEVYFNAMXHZHJZ-GJZGRUSLSA-N 1 3 271.408 3.144 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000582074959 378283885 /nfs/dbraw/zinc/28/38/85/378283885.db2.gz BUXQSWCZJGUESL-AWEZNQCLSA-N 1 3 264.457 3.277 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265099 378486122 /nfs/dbraw/zinc/48/61/22/378486122.db2.gz IAXYHZSPZSLXIB-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265099 378486127 /nfs/dbraw/zinc/48/61/27/378486127.db2.gz IAXYHZSPZSLXIB-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265099 378486131 /nfs/dbraw/zinc/48/61/31/378486131.db2.gz IAXYHZSPZSLXIB-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265099 378486133 /nfs/dbraw/zinc/48/61/33/378486133.db2.gz IAXYHZSPZSLXIB-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346574060 378629923 /nfs/dbraw/zinc/62/99/23/378629923.db2.gz ZFUUVXJOGMHWFQ-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC3(C)C)CC2)C1 ZINC000346564015 378623552 /nfs/dbraw/zinc/62/35/52/378623552.db2.gz LOMCTVXDGTXUNI-VNQPRFMTSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC3(C)C)CC2)C1 ZINC000346564015 378623558 /nfs/dbraw/zinc/62/35/58/378623558.db2.gz LOMCTVXDGTXUNI-VNQPRFMTSA-N 1 3 264.457 3.418 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346818979 378692454 /nfs/dbraw/zinc/69/24/54/378692454.db2.gz DJXNLVXQZAVARV-BJJXKVORSA-N 1 3 284.403 3.164 20 0 CGADHO CC(C)C[N@H+](CCc1ccccc1)C[C@@H]1CCCNC1 ZINC000346825908 378692750 /nfs/dbraw/zinc/69/27/50/378692750.db2.gz HAOMQZHOEDFDAZ-GOSISDBHSA-N 1 3 274.452 3.187 20 0 CGADHO CC(C)C[N@@H+](CCc1ccccc1)C[C@@H]1CCCNC1 ZINC000346825908 378692756 /nfs/dbraw/zinc/69/27/56/378692756.db2.gz HAOMQZHOEDFDAZ-GOSISDBHSA-N 1 3 274.452 3.187 20 0 CGADHO CC1CC[NH+](CCCNc2ccnc3ccccc32)CC1 ZINC000346613479 378646218 /nfs/dbraw/zinc/64/62/18/378646218.db2.gz ZCBFNCLXTLVYTO-UHFFFAOYSA-N 1 3 283.419 3.191 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133938 378713744 /nfs/dbraw/zinc/71/37/44/378713744.db2.gz LSUDYHHUMYMDIJ-BHIYHBOVSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133938 378713748 /nfs/dbraw/zinc/71/37/48/378713748.db2.gz LSUDYHHUMYMDIJ-BHIYHBOVSA-N 1 3 286.463 3.454 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133938 378713754 /nfs/dbraw/zinc/71/37/54/378713754.db2.gz LSUDYHHUMYMDIJ-BHIYHBOVSA-N 1 3 286.463 3.454 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638133938 378713760 /nfs/dbraw/zinc/71/37/60/378713760.db2.gz LSUDYHHUMYMDIJ-BHIYHBOVSA-N 1 3 286.463 3.454 20 0 CGADHO CSC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847691 378726614 /nfs/dbraw/zinc/72/66/14/378726614.db2.gz PIHUKCCSTYSRDK-HOTGVXAUSA-N 1 3 296.524 3.468 20 0 CGADHO CSC1(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000347847691 378726618 /nfs/dbraw/zinc/72/66/18/378726618.db2.gz PIHUKCCSTYSRDK-HOTGVXAUSA-N 1 3 296.524 3.468 20 0 CGADHO CC[C@@](C)(CNC1CC[NH+](CC2CCCC2)CC1)OC ZINC000638455027 378809606 /nfs/dbraw/zinc/80/96/06/378809606.db2.gz QTAJDZOZAWNNMM-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@](C)(C[NH2+]C1CCN(CC2CCCC2)CC1)OC ZINC000638455027 378809611 /nfs/dbraw/zinc/80/96/11/378809611.db2.gz QTAJDZOZAWNNMM-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CCOc1ccc([C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346834893 218030430 /nfs/dbraw/zinc/03/04/30/218030430.db2.gz NIXIBBVBEVWRIL-CRAIPNDOSA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346834893 218030432 /nfs/dbraw/zinc/03/04/32/218030432.db2.gz NIXIBBVBEVWRIL-CRAIPNDOSA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346834893 218030433 /nfs/dbraw/zinc/03/04/33/218030433.db2.gz NIXIBBVBEVWRIL-CRAIPNDOSA-N 1 3 288.435 3.222 20 0 CGADHO Cc1ccsc1[C@@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278509255 194017584 /nfs/dbraw/zinc/01/75/84/194017584.db2.gz MBHUJSJIKCRRDB-HUUCEWRRSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccsc1[C@@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278509255 194017585 /nfs/dbraw/zinc/01/75/85/194017585.db2.gz MBHUJSJIKCRRDB-HUUCEWRRSA-N 1 3 296.480 3.208 20 0 CGADHO CCCc1cccc(CNC2CC[NH+](CC)CC2)c1 ZINC000274790372 378895261 /nfs/dbraw/zinc/89/52/61/378895261.db2.gz MGRCRRYMLOAUFX-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CC[C@H](C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1)c1ccccc1 ZINC000347004333 218088163 /nfs/dbraw/zinc/08/81/63/218088163.db2.gz AUSLSEYFBCERJB-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)N)C1)c1ccccc1 ZINC000347004333 218088165 /nfs/dbraw/zinc/08/81/65/218088165.db2.gz AUSLSEYFBCERJB-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)OC ZINC000638971052 378961377 /nfs/dbraw/zinc/96/13/77/378961377.db2.gz PIIGAQYTXXFWGA-OVWQWFNUSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638971052 378961383 /nfs/dbraw/zinc/96/13/83/378961383.db2.gz PIIGAQYTXXFWGA-OVWQWFNUSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971052 378961386 /nfs/dbraw/zinc/96/13/86/378961386.db2.gz PIIGAQYTXXFWGA-OVWQWFNUSA-N 1 3 296.499 3.290 20 0 CGADHO CCCN(Cc1cc(C)sc1C)C1CC[NH2+]CC1 ZINC000347111571 218126281 /nfs/dbraw/zinc/12/62/81/218126281.db2.gz QWVBKIQEWWPGOE-UHFFFAOYSA-N 1 3 266.454 3.329 20 0 CGADHO CCC[N@H+](Cc1cc(C)sc1C)C1CCNCC1 ZINC000347111571 218126282 /nfs/dbraw/zinc/12/62/82/218126282.db2.gz QWVBKIQEWWPGOE-UHFFFAOYSA-N 1 3 266.454 3.329 20 0 CGADHO CCC[N@@H+](Cc1cc(C)sc1C)C1CCNCC1 ZINC000347111571 218126284 /nfs/dbraw/zinc/12/62/84/218126284.db2.gz QWVBKIQEWWPGOE-UHFFFAOYSA-N 1 3 266.454 3.329 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H](N(C)C)CC2)c(C)s1 ZINC000277055061 379056526 /nfs/dbraw/zinc/05/65/26/379056526.db2.gz CUGBCTAXNFLVTG-HNNXBMFYSA-N 1 3 266.454 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c(C)s1 ZINC000277055061 379056534 /nfs/dbraw/zinc/05/65/34/379056534.db2.gz CUGBCTAXNFLVTG-HNNXBMFYSA-N 1 3 266.454 3.281 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000347368301 218207549 /nfs/dbraw/zinc/20/75/49/218207549.db2.gz XRYUCTBCGAHACW-MAUKXSAKSA-N 1 3 297.446 3.097 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000347368301 218207552 /nfs/dbraw/zinc/20/75/52/218207552.db2.gz XRYUCTBCGAHACW-MAUKXSAKSA-N 1 3 297.446 3.097 20 0 CGADHO Cc1cc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000278768547 194146926 /nfs/dbraw/zinc/14/69/26/194146926.db2.gz OEEMQQRCXHLAJN-SJORKVTESA-N 1 3 267.376 3.247 20 0 CGADHO C([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639338323 379291451 /nfs/dbraw/zinc/29/14/51/379291451.db2.gz UDLMIQGBPROJEJ-TVFCKZIOSA-N 1 3 276.468 3.134 20 0 CGADHO COc1cccc(CNC2CCC(C[NH+](C)C)CC2)c1F ZINC000192703129 542267686 /nfs/dbraw/zinc/26/76/86/542267686.db2.gz ABEXXQKXUQTDJN-UHFFFAOYSA-N 1 3 294.414 3.044 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(COC)cc1 ZINC000349404108 379266756 /nfs/dbraw/zinc/26/67/56/379266756.db2.gz DWIUQRLVHOYOFB-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(COC)cc1 ZINC000349404108 379266766 /nfs/dbraw/zinc/26/67/66/379266766.db2.gz DWIUQRLVHOYOFB-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO Cc1nc(C)c([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)s1 ZINC000373525079 379293614 /nfs/dbraw/zinc/29/36/14/379293614.db2.gz XDBCZNVKRXCETG-GRTSSRMGSA-N 1 3 293.480 3.427 20 0 CGADHO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000374834047 379478602 /nfs/dbraw/zinc/47/86/02/379478602.db2.gz HDAVUCMABJIXSL-UHFFFAOYSA-N 1 3 295.430 3.430 20 0 CGADHO C[N@H+](Cc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000374834047 379478608 /nfs/dbraw/zinc/47/86/08/379478608.db2.gz HDAVUCMABJIXSL-UHFFFAOYSA-N 1 3 295.430 3.430 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000639581840 379489432 /nfs/dbraw/zinc/48/94/32/379489432.db2.gz ZOTSWMATCKVXEI-ZMSDIMECSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581840 379489435 /nfs/dbraw/zinc/48/94/35/379489435.db2.gz ZOTSWMATCKVXEI-ZMSDIMECSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581840 379489438 /nfs/dbraw/zinc/48/94/38/379489438.db2.gz ZOTSWMATCKVXEI-ZMSDIMECSA-N 1 3 294.483 3.044 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000350175728 379526113 /nfs/dbraw/zinc/52/61/13/379526113.db2.gz INOSSAULACEAPW-UHFFFAOYSA-N 1 3 272.392 3.206 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684773 379545089 /nfs/dbraw/zinc/54/50/89/379545089.db2.gz YMNANJJPDQSMLJ-CQSZACIVSA-N 1 3 297.393 3.275 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684773 379545098 /nfs/dbraw/zinc/54/50/98/379545098.db2.gz YMNANJJPDQSMLJ-CQSZACIVSA-N 1 3 297.393 3.275 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000392277056 379912475 /nfs/dbraw/zinc/91/24/75/379912475.db2.gz CWOHEDRSUULQHR-NSHDSACASA-N 1 3 282.790 3.392 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000392277056 379912481 /nfs/dbraw/zinc/91/24/81/379912481.db2.gz CWOHEDRSUULQHR-NSHDSACASA-N 1 3 282.790 3.392 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000382124884 379870717 /nfs/dbraw/zinc/87/07/17/379870717.db2.gz NLAWLBFAVFFNIE-GXTWGEPZSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124884 379870723 /nfs/dbraw/zinc/87/07/23/379870723.db2.gz NLAWLBFAVFFNIE-GXTWGEPZSA-N 1 3 252.427 3.131 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000282369740 379905794 /nfs/dbraw/zinc/90/57/94/379905794.db2.gz WMYLESFNGYAWEJ-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)CC(F)(F)F ZINC000402720813 379971468 /nfs/dbraw/zinc/97/14/68/379971468.db2.gz XWJVACGAPHAUJZ-TUAOUCFPSA-N 1 3 266.351 3.072 20 0 CGADHO CSc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)s1 ZINC000352819368 379981100 /nfs/dbraw/zinc/98/11/00/379981100.db2.gz AVOKRXUJKYRVMN-UHFFFAOYSA-N 1 3 296.505 3.434 20 0 CGADHO C[C@H]1CC[C@@H](NC2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051983 379933926 /nfs/dbraw/zinc/93/39/26/379933926.db2.gz VTPQPIIVDCOTNZ-IWCVFHTOSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(F)ccc1F ZINC000401023229 379955248 /nfs/dbraw/zinc/95/52/48/379955248.db2.gz LZOOWYLFZPECPF-ZJQBRPOHSA-N 1 3 280.362 3.004 20 0 CGADHO CCC(CC)CN1CCC([NH+]2CCCCC2)CC1 ZINC000409445279 380031208 /nfs/dbraw/zinc/03/12/08/380031208.db2.gz SDTVMXSSPMNYQP-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CCC(CC)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000409445279 380031215 /nfs/dbraw/zinc/03/12/15/380031215.db2.gz SDTVMXSSPMNYQP-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO Cc1nc(-c2ccccc2)oc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000641797212 380111239 /nfs/dbraw/zinc/11/12/39/380111239.db2.gz XZVCXKLBONNCLT-ZDUSSCGKSA-N 1 3 299.418 3.209 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000411516656 380148771 /nfs/dbraw/zinc/14/87/71/380148771.db2.gz KIGZLSJVNBMUNM-ZOBUZTSGSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@@H]1CCC(C)(C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516656 380148779 /nfs/dbraw/zinc/14/87/79/380148779.db2.gz KIGZLSJVNBMUNM-ZOBUZTSGSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@@H]1CCC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516656 380148786 /nfs/dbraw/zinc/14/87/86/380148786.db2.gz KIGZLSJVNBMUNM-ZOBUZTSGSA-N 1 3 294.483 3.187 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@H]3CCC[C@H]3C3CC3)CC2)ccn1 ZINC000414482497 380260092 /nfs/dbraw/zinc/26/00/92/380260092.db2.gz LVEIZTDOPGQSRF-APWZRJJASA-N 1 3 299.462 3.466 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000643512077 380334404 /nfs/dbraw/zinc/33/44/04/380334404.db2.gz HZCSZEIMLDMGSF-UMVBOHGHSA-N 1 3 266.454 3.176 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457459 380309629 /nfs/dbraw/zinc/30/96/29/380309629.db2.gz CYUVSTTZQLYNPV-WDEREUQCSA-N 1 3 279.815 3.079 20 0 CGADHO COc1ccc(Cl)cc1CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673149 380365290 /nfs/dbraw/zinc/36/52/90/380365290.db2.gz BVWSYZYPWRGVKB-STQMWFEESA-N 1 3 296.842 3.169 20 0 CGADHO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548914 380365589 /nfs/dbraw/zinc/36/55/89/380365589.db2.gz XJPQILXDXXJPGF-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO c1ccc2c(c1)CCC([NH2+][C@@H]1CCNC3(CCC3)C1)CC2 ZINC000643548977 380366578 /nfs/dbraw/zinc/36/65/78/380366578.db2.gz YLSBQKCAVDWLPO-GOSISDBHSA-N 1 3 284.447 3.198 20 0 CGADHO CCSc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000414679446 380368950 /nfs/dbraw/zinc/36/89/50/380368950.db2.gz ZWGLVCQILXQPGS-UAGQMJEPSA-N 1 3 290.476 3.358 20 0 CGADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690343 380376640 /nfs/dbraw/zinc/37/66/40/380376640.db2.gz AIIBDRXDRQKDQP-SJLPKXTDSA-N 1 3 289.467 3.263 20 0 CGADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690343 380376645 /nfs/dbraw/zinc/37/66/45/380376645.db2.gz AIIBDRXDRQKDQP-SJLPKXTDSA-N 1 3 289.467 3.263 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H](C)N)c1ccc(C(F)(F)F)cc1 ZINC000643528103 380345078 /nfs/dbraw/zinc/34/50/78/380345078.db2.gz ZOOWOXZWICIIQO-GWCFXTLKSA-N 1 3 274.330 3.339 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546436 380359284 /nfs/dbraw/zinc/35/92/84/380359284.db2.gz ORBFELADSIGLBA-LSDHHAIUSA-N 1 3 250.430 3.386 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414816238 380428737 /nfs/dbraw/zinc/42/87/37/380428737.db2.gz ZOKPPZMKWIBLRP-UHFFFAOYSA-N 1 3 271.408 3.150 20 0 CGADHO C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CCCCC1 ZINC000414831071 380440578 /nfs/dbraw/zinc/44/05/78/380440578.db2.gz PIPXCNOQSFVZFW-XYPWUTKMSA-N 1 3 250.430 3.220 20 0 CGADHO Clc1ccc(CNCC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414834806 380442620 /nfs/dbraw/zinc/44/26/20/380442620.db2.gz QWDAKLLUHXHDEC-SNVBAGLBSA-N 1 3 273.207 3.083 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414856433 380458339 /nfs/dbraw/zinc/45/83/39/380458339.db2.gz ADGDTUOIMZVMPA-DZGCQCFKSA-N 1 3 266.816 3.175 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414856433 380458345 /nfs/dbraw/zinc/45/83/45/380458345.db2.gz ADGDTUOIMZVMPA-DZGCQCFKSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414852557 380454575 /nfs/dbraw/zinc/45/45/75/380454575.db2.gz KBPMQGYLHUJAAO-FMKPAKJESA-N 1 3 252.446 3.323 20 0 CGADHO Clc1cccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774639 380398556 /nfs/dbraw/zinc/39/85/56/380398556.db2.gz FOALQLOLNXWIKD-GJZGRUSLSA-N 1 3 278.827 3.162 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]C1CCNCC1 ZINC000414778723 380400416 /nfs/dbraw/zinc/40/04/16/380400416.db2.gz INMKKKDYONMISN-INIZCTEOSA-N 1 3 260.425 3.130 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)NC1CC[NH2+]CC1 ZINC000414779696 380400662 /nfs/dbraw/zinc/40/06/62/380400662.db2.gz JYKKATWRZYUOMW-SNVBAGLBSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C1CCNCC1 ZINC000414779696 380400667 /nfs/dbraw/zinc/40/06/67/380400667.db2.gz JYKKATWRZYUOMW-SNVBAGLBSA-N 1 3 287.234 3.266 20 0 CGADHO Fc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786836 380405042 /nfs/dbraw/zinc/40/50/42/380405042.db2.gz UZBQISAJHLZWRH-UONOGXRCSA-N 1 3 296.817 3.301 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cc2ccccc2s1 ZINC000414791300 380406192 /nfs/dbraw/zinc/40/61/92/380406192.db2.gz HNWMVRXZMGZOQK-TZMCWYRMSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414791300 380406198 /nfs/dbraw/zinc/40/61/98/380406198.db2.gz HNWMVRXZMGZOQK-TZMCWYRMSA-N 1 3 260.406 3.118 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000414791331 380407086 /nfs/dbraw/zinc/40/70/86/380407086.db2.gz HQDCWNAHVAKCKV-MFKMUULPSA-N 1 3 273.207 3.210 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414795301 380409239 /nfs/dbraw/zinc/40/92/39/380409239.db2.gz GMOYHBKLXVDJHQ-UNEWFSDZSA-N 1 3 278.415 3.254 20 0 CGADHO CC(C)(C)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000414794501 380409445 /nfs/dbraw/zinc/40/94/45/380409445.db2.gz FVHWOVAXWJTTFX-YPMHNXCESA-N 1 3 266.454 3.263 20 0 CGADHO Cc1ccc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])ccc2n1 ZINC000414796835 380410727 /nfs/dbraw/zinc/41/07/27/380410727.db2.gz IBQLJRONADAEON-SJORKVTESA-N 1 3 283.419 3.150 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000414796226 380411025 /nfs/dbraw/zinc/41/10/25/380411025.db2.gz NYAGEDLTVBVBPK-CMPLNLGQSA-N 1 3 274.861 3.296 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000414798271 380412127 /nfs/dbraw/zinc/41/21/27/380412127.db2.gz QAACCWQEAGTOES-TVQRCGJNSA-N 1 3 290.304 3.062 20 0 CGADHO CC(C)[C@@H]([NH3+])CNC[C@@H](C)c1cccc(Cl)c1 ZINC000414801816 380414889 /nfs/dbraw/zinc/41/48/89/380414889.db2.gz UVQKTAXBMQDBOG-RISCZKNCSA-N 1 3 254.805 3.016 20 0 CGADHO COCc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414805565 380418472 /nfs/dbraw/zinc/41/84/72/380418472.db2.gz GOJSDYPXTFTGDJ-AWEZNQCLSA-N 1 3 284.403 3.143 20 0 CGADHO CCCC[C@H](CN)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414806458 380418849 /nfs/dbraw/zinc/41/88/49/380418849.db2.gz BTHIYFJZDGLIFE-CYBMUJFWSA-N 1 3 292.320 3.452 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414804841 380418897 /nfs/dbraw/zinc/41/88/97/380418897.db2.gz PDNKLLXYBGJUOZ-DOMZBBRYSA-N 1 3 266.816 3.256 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000414907927 380484569 /nfs/dbraw/zinc/48/45/69/380484569.db2.gz CAUGEZMFRZVFSN-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNCC2)CC1 ZINC000414917740 380487137 /nfs/dbraw/zinc/48/71/37/380487137.db2.gz RBDHDWGRWOYQMS-BZUAXINKSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414922651 380489678 /nfs/dbraw/zinc/48/96/78/380489678.db2.gz GHBKEFHHURDULY-UBDQQSCGSA-N 1 3 272.436 3.084 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000414919074 380490250 /nfs/dbraw/zinc/49/02/50/380490250.db2.gz UEUGXLLYEKTWPA-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cc3ccccc3s2)C1 ZINC000414925207 380492353 /nfs/dbraw/zinc/49/23/53/380492353.db2.gz LNBGHWGUWSKFER-OLZOCXBDSA-N 1 3 260.406 3.261 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CCC[C@@H]([NH3+])C3)ccc2c1 ZINC000414935965 380496039 /nfs/dbraw/zinc/49/60/39/380496039.db2.gz YYVMLLBBLYOXCX-IAGOWNOFSA-N 1 3 284.403 3.208 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414939752 380497436 /nfs/dbraw/zinc/49/74/36/380497436.db2.gz JNEUIXLALRGTEQ-YSHGAJCASA-N 1 3 286.463 3.376 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414941226 380497672 /nfs/dbraw/zinc/49/76/72/380497672.db2.gz LCDQIEZSWQAJDA-WZRBSPASSA-N 1 3 286.872 3.310 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000414940889 380497752 /nfs/dbraw/zinc/49/77/52/380497752.db2.gz KWSGMWDDTFZKSA-BHYGNILZSA-N 1 3 260.425 3.014 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414861281 380461592 /nfs/dbraw/zinc/46/15/92/380461592.db2.gz WJOUBWNPUUUSEQ-RYRKJORJSA-N 1 3 274.452 3.233 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414864512 380463799 /nfs/dbraw/zinc/46/37/99/380463799.db2.gz YQTZWHPDOGSFRL-JQFCIGGWSA-N 1 3 276.399 3.051 20 0 CGADHO C[C@H](CNCC1([NH3+])CCC1)c1cccc(Br)c1 ZINC000414869370 380466978 /nfs/dbraw/zinc/46/69/78/380466978.db2.gz AOLOKCKOZHLDHC-LLVKDONJSA-N 1 3 297.240 3.024 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000414873462 380468790 /nfs/dbraw/zinc/46/87/90/380468790.db2.gz XOGGYUGBPHOUMV-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414876581 380470792 /nfs/dbraw/zinc/47/07/92/380470792.db2.gz LQWIXFOZZADRPI-BYCMXARLSA-N 1 3 266.816 3.161 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](C)CN ZINC000414880950 380472087 /nfs/dbraw/zinc/47/20/87/380472087.db2.gz RLNKSYMWOLWUKY-GWCFXTLKSA-N 1 3 289.250 3.499 20 0 CGADHO C[C@@H](CN)C[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000414879472 380472891 /nfs/dbraw/zinc/47/28/91/380472891.db2.gz PLOMZZPHUXNXSB-FXAWDEMLSA-N 1 3 296.458 3.415 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(Oc2cccc(F)c2)cc1 ZINC000414887207 380476553 /nfs/dbraw/zinc/47/65/53/380476553.db2.gz DBPYYUMVDPDZFZ-CYBMUJFWSA-N 1 3 288.366 3.445 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414901574 380482582 /nfs/dbraw/zinc/48/25/82/380482582.db2.gz GFCYMYNYTSQZGG-YOEHRIQHSA-N 1 3 278.415 3.126 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414903610 380482796 /nfs/dbraw/zinc/48/27/96/380482796.db2.gz IQPROOKEXJSTSQ-DZGCQCFKSA-N 1 3 266.454 3.049 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC34CC4)CC2)C1 ZINC000417342243 380600157 /nfs/dbraw/zinc/60/01/57/380600157.db2.gz CMRVFOGKDLBKRD-INMHGKMJSA-N 1 3 276.468 3.419 20 0 CGADHO CC[N@H+](CC[C@@H]1CCCCN1C)Cc1cccs1 ZINC000356831453 380888867 /nfs/dbraw/zinc/88/88/67/380888867.db2.gz ALDCCBWQGSNXTL-AWEZNQCLSA-N 1 3 266.454 3.444 20 0 CGADHO CC[N@@H+](CC[C@@H]1CCCCN1C)Cc1cccs1 ZINC000356831453 380888881 /nfs/dbraw/zinc/88/88/81/380888881.db2.gz ALDCCBWQGSNXTL-AWEZNQCLSA-N 1 3 266.454 3.444 20 0 CGADHO OC1(CCC[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000421376865 380918495 /nfs/dbraw/zinc/91/84/95/380918495.db2.gz QZAQHPVDZIMEIN-UHFFFAOYSA-N 1 3 294.483 3.068 20 0 CGADHO OC1(CCCNC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000421376865 380918504 /nfs/dbraw/zinc/91/85/04/380918504.db2.gz QZAQHPVDZIMEIN-UHFFFAOYSA-N 1 3 294.483 3.068 20 0 CGADHO CC[C@H]1C[C@H](C[NH+]2CCC(N3CCCCC3)CC2)CCO1 ZINC000356914975 380936730 /nfs/dbraw/zinc/93/67/30/380936730.db2.gz IDHGOCNWWXXXSS-AEFFLSMTSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H](c1ccccc1F)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357092771 381024398 /nfs/dbraw/zinc/02/43/98/381024398.db2.gz XMMCTQKWPADSJD-DZGCQCFKSA-N 1 3 276.399 3.208 20 0 CGADHO Cc1ccsc1C[NH2+]CC(C)(C)CN1CCCC1 ZINC000360154954 381461044 /nfs/dbraw/zinc/46/10/44/381461044.db2.gz WVQRAJNSNIHLCM-UHFFFAOYSA-N 1 3 266.454 3.268 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000360430272 381540436 /nfs/dbraw/zinc/54/04/36/381540436.db2.gz WTQASAOEVABJKU-QAPCUYQASA-N 1 3 290.451 3.043 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360430272 381540442 /nfs/dbraw/zinc/54/04/42/381540442.db2.gz WTQASAOEVABJKU-QAPCUYQASA-N 1 3 290.451 3.043 20 0 CGADHO COC1(CN(C)CC[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC000361565446 381808001 /nfs/dbraw/zinc/80/80/01/381808001.db2.gz PJXOUPCXZFNOAO-INIZCTEOSA-N 1 3 282.472 3.142 20 0 CGADHO COC1(CN(C)CC[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC000361565446 381808007 /nfs/dbraw/zinc/80/80/07/381808007.db2.gz PJXOUPCXZFNOAO-INIZCTEOSA-N 1 3 282.472 3.142 20 0 CGADHO CN1CCCC[C@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361931801 381875123 /nfs/dbraw/zinc/87/51/23/381875123.db2.gz YXPRZMOZCZBXGB-YOEHRIQHSA-N 1 3 288.435 3.234 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccncc1 ZINC000362279897 381929476 /nfs/dbraw/zinc/92/94/76/381929476.db2.gz SIORRBWAWJGJQS-GOSISDBHSA-N 1 3 296.418 3.186 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000573178543 322374245 /nfs/dbraw/zinc/37/42/45/322374245.db2.gz QNUSIAXDNHPEFI-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000367090533 382333197 /nfs/dbraw/zinc/33/31/97/382333197.db2.gz AFOCLADSGHZKJQ-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO COCC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429543525 285140409 /nfs/dbraw/zinc/14/04/09/285140409.db2.gz WPELWCSXPBKARS-ROUUACIJSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429543525 285140410 /nfs/dbraw/zinc/14/04/10/285140410.db2.gz WPELWCSXPBKARS-ROUUACIJSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429543525 285140411 /nfs/dbraw/zinc/14/04/11/285140411.db2.gz WPELWCSXPBKARS-ROUUACIJSA-N 1 3 290.451 3.180 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1C(C)(C)C1(C)C ZINC000353928775 220411791 /nfs/dbraw/zinc/41/17/91/220411791.db2.gz LNCLLZVBZRYTSX-MJBXVCDLSA-N 1 3 264.457 3.274 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCNc3ccccc32)CC1 ZINC000278314988 285192492 /nfs/dbraw/zinc/19/24/92/285192492.db2.gz UIICEMWBZBKQNU-KRWDZBQOSA-N 1 3 273.424 3.007 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)CN)cc1F ZINC000423296020 533138741 /nfs/dbraw/zinc/13/87/41/533138741.db2.gz FZUBHSJNIRLPRD-INWMFGNUSA-N 1 3 294.414 3.045 20 0 CGADHO COc1ccc2cc([C@H](C)NC[C@@H](C)C[NH3+])ccc2c1 ZINC000423295570 533337199 /nfs/dbraw/zinc/33/71/99/533337199.db2.gz FFWUNMIJEBZULW-STQMWFEESA-N 1 3 272.392 3.094 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(F)c2ccccc21 ZINC000423282860 533352148 /nfs/dbraw/zinc/35/21/48/533352148.db2.gz DCOUBXKRXWGDPU-LLVKDONJSA-N 1 3 260.356 3.367 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccccc1Br ZINC000423346424 533366000 /nfs/dbraw/zinc/36/60/00/533366000.db2.gz PDTHRJARGAEKRI-LLVKDONJSA-N 1 3 295.224 3.019 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000437052591 533525907 /nfs/dbraw/zinc/52/59/07/533525907.db2.gz WFODLAULLKRAGR-BFYDXBDKSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc(CN(C)CC(C)(C)C[NH3+])c2ccccc12 ZINC000094692768 533537500 /nfs/dbraw/zinc/53/75/00/533537500.db2.gz IHBBWTNDVHGIJB-UHFFFAOYSA-N 1 3 286.419 3.265 20 0 CGADHO COc1ccc(C[N@H+](C)CC(C)(C)CN)c2ccccc12 ZINC000094692768 533537502 /nfs/dbraw/zinc/53/75/02/533537502.db2.gz IHBBWTNDVHGIJB-UHFFFAOYSA-N 1 3 286.419 3.265 20 0 CGADHO COc1ccc(C[N@@H+](C)CC(C)(C)CN)c2ccccc12 ZINC000094692768 533537508 /nfs/dbraw/zinc/53/75/08/533537508.db2.gz IHBBWTNDVHGIJB-UHFFFAOYSA-N 1 3 286.419 3.265 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc2c(s1)CCC2 ZINC000423398358 533547156 /nfs/dbraw/zinc/54/71/56/533547156.db2.gz VHCLOAWTNVNHLW-WZRBSPASSA-N 1 3 264.438 3.028 20 0 CGADHO C[C@H](N[C@@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]1 ZINC000400428036 542622870 /nfs/dbraw/zinc/62/28/70/542622870.db2.gz ZDSDXPSUBWOMBA-SOUVJXGZSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CCCN1 ZINC000400428036 542622872 /nfs/dbraw/zinc/62/28/72/542622872.db2.gz ZDSDXPSUBWOMBA-SOUVJXGZSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000414928885 542641048 /nfs/dbraw/zinc/64/10/48/542641048.db2.gz QOMPYFUWPKENEY-OWSLCNJRSA-N 1 3 272.436 3.491 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000051626155 392071706 /nfs/dbraw/zinc/07/17/06/392071706.db2.gz NOVIMAGQCZCPHH-HMQMGEFJSA-N 1 3 258.409 3.353 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000051626155 392071714 /nfs/dbraw/zinc/07/17/14/392071714.db2.gz NOVIMAGQCZCPHH-HMQMGEFJSA-N 1 3 258.409 3.353 20 0 CGADHO CC[NH+](CC)CCOCCNCc1ccc(Cl)cc1C ZINC000361757954 392315545 /nfs/dbraw/zinc/31/55/45/392315545.db2.gz UMOGKCWYOBAGAG-UHFFFAOYSA-N 1 3 298.858 3.096 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000245697910 131089231 /nfs/dbraw/zinc/08/92/31/131089231.db2.gz XCZZNUXFGRJASV-DJIMGWMZSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000245697910 131089233 /nfs/dbraw/zinc/08/92/33/131089233.db2.gz XCZZNUXFGRJASV-DJIMGWMZSA-N 1 3 258.409 3.164 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000249383513 131121555 /nfs/dbraw/zinc/12/15/55/131121555.db2.gz VVIKRLXOWQCFRY-OLZOCXBDSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655622 392383642 /nfs/dbraw/zinc/38/36/42/392383642.db2.gz NYBXWLDGYHALNW-YPMHNXCESA-N 1 3 286.341 3.265 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236039 542701590 /nfs/dbraw/zinc/70/15/90/542701590.db2.gz IDVNQKUDKCCIOS-FUHWJXTLSA-N 1 3 296.499 3.388 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236039 542701594 /nfs/dbraw/zinc/70/15/94/542701594.db2.gz IDVNQKUDKCCIOS-FUHWJXTLSA-N 1 3 296.499 3.388 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCN(C)C ZINC000151917776 392489801 /nfs/dbraw/zinc/48/98/01/392489801.db2.gz MZKLIDHCJIBSDM-LLVKDONJSA-N 1 3 269.458 3.177 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152387512 392504904 /nfs/dbraw/zinc/50/49/04/392504904.db2.gz ZCGSSSKDVZQKAC-KDOFPFPSSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152387512 392504912 /nfs/dbraw/zinc/50/49/12/392504912.db2.gz ZCGSSSKDVZQKAC-KDOFPFPSSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1ccc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)cn1 ZINC000374650387 392685424 /nfs/dbraw/zinc/68/54/24/392685424.db2.gz XMUWXSQIZXGOIL-GOSISDBHSA-N 1 3 287.451 3.054 20 0 CGADHO C[C@H](CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479691 392734875 /nfs/dbraw/zinc/73/48/75/392734875.db2.gz PVEXZQXAWFTLQV-QGPMSJSTSA-N 1 3 290.426 3.393 20 0 CGADHO Fc1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1F ZINC000647543569 392759815 /nfs/dbraw/zinc/75/98/15/392759815.db2.gz PPSXVFMOVUZRNB-KBPBESRZSA-N 1 3 294.389 3.176 20 0 CGADHO CCc1oc2ccccc2c1CN[C@H](C)C[C@H](C)[NH3+] ZINC000647552814 392765573 /nfs/dbraw/zinc/76/55/73/392765573.db2.gz YXAKKMSPOWEFRV-NWDGAFQWSA-N 1 3 260.381 3.211 20 0 CGADHO CC[C@H]1CN(CCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937054 392837531 /nfs/dbraw/zinc/83/75/31/392837531.db2.gz QDESKBPWIVNOLR-HOCLYGCPSA-N 1 3 280.843 3.332 20 0 CGADHO COC[C@H](CCC[NH3+])NC1(c2cccc(Cl)c2)CCC1 ZINC000647804018 392804716 /nfs/dbraw/zinc/80/47/16/392804716.db2.gz IJOSQXZWIUYYHE-HNNXBMFYSA-N 1 3 296.842 3.063 20 0 CGADHO COC[C@@H](CCC[NH3+])NC1(c2cccc(Cl)c2)CCC1 ZINC000647804019 392805498 /nfs/dbraw/zinc/80/54/98/392805498.db2.gz IJOSQXZWIUYYHE-OAHLLOKOSA-N 1 3 296.842 3.063 20 0 CGADHO C[N@@H+]1CC[C@H](Nc2nccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000647873806 392818455 /nfs/dbraw/zinc/81/84/55/392818455.db2.gz IBQFAVAMQWNBOX-IRXDYDNUSA-N 1 3 292.386 3.420 20 0 CGADHO C[N@H+]1CC[C@H](Nc2nccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000647873806 392818459 /nfs/dbraw/zinc/81/84/59/392818459.db2.gz IBQFAVAMQWNBOX-IRXDYDNUSA-N 1 3 292.386 3.420 20 0 CGADHO Fc1ccc(CCN(C[C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647891430 392828897 /nfs/dbraw/zinc/82/88/97/392828897.db2.gz BDOPVEPSITXXQU-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904157 392829283 /nfs/dbraw/zinc/82/92/83/392829283.db2.gz XWCLZEKQIWGDLH-RBUKOAKNSA-N 1 3 286.463 3.392 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000647890100 392829347 /nfs/dbraw/zinc/82/93/47/392829347.db2.gz QHZAJTYNJYJELR-MELADBBJSA-N 1 3 280.843 3.373 20 0 CGADHO Fc1cccc(CCCN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902931 392829531 /nfs/dbraw/zinc/82/95/31/392829531.db2.gz DPQCAEZVTDWYJT-WMZOPIPTSA-N 1 3 290.426 3.222 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000512325259 392850227 /nfs/dbraw/zinc/85/02/27/392850227.db2.gz VFXXQUBBALMKFW-KMFMINBZSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000513677847 542733262 /nfs/dbraw/zinc/73/32/62/542733262.db2.gz CXDSPBORBVHSGW-MSOLQXFVSA-N 1 3 287.451 3.322 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2c(Cl)cccc2Cl)C1 ZINC000517176712 542736607 /nfs/dbraw/zinc/73/66/07/542736607.db2.gz QEFIUSWNDADKFX-QWRGUYRKSA-N 1 3 287.234 3.395 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000459749295 392953777 /nfs/dbraw/zinc/95/37/77/392953777.db2.gz YKMGVIFIBALCEI-SPUZQDLCSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000459749295 392953784 /nfs/dbraw/zinc/95/37/84/392953784.db2.gz YKMGVIFIBALCEI-SPUZQDLCSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758509 392992661 /nfs/dbraw/zinc/99/26/61/392992661.db2.gz QFZCMCNWCVKSBV-CVEARBPZSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758509 392992669 /nfs/dbraw/zinc/99/26/69/392992669.db2.gz QFZCMCNWCVKSBV-CVEARBPZSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@H](C)C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415005578 393089385 /nfs/dbraw/zinc/08/93/85/393089385.db2.gz PFJPUXVVJIBNHR-JLJPHGGASA-N 1 3 278.415 3.155 20 0 CGADHO Clc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000415015725 393096418 /nfs/dbraw/zinc/09/64/18/393096418.db2.gz ZBQJCRYCFIWUNC-DZGCQCFKSA-N 1 3 299.245 3.471 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1csc(Cl)c1Cl ZINC000415019287 393098355 /nfs/dbraw/zinc/09/83/55/393098355.db2.gz HVXCKALTKWCRGI-ZETCQYMHSA-N 1 3 267.225 3.272 20 0 CGADHO CCOc1c(Cl)cccc1CN[C@@H](C)CCCC[NH3+] ZINC000415020736 393099973 /nfs/dbraw/zinc/09/99/73/393099973.db2.gz XJVOVCYPLIHGCD-LBPRGKRZSA-N 1 3 284.831 3.346 20 0 CGADHO C[C@H](CCC[NH3+])NCc1nc(-c2ccccc2)cs1 ZINC000415027096 393103289 /nfs/dbraw/zinc/10/32/89/393103289.db2.gz VZRRPKVRWBDCNN-GFCCVEGCSA-N 1 3 275.421 3.027 20 0 CGADHO CC(C)c1ccc(CCN(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000414727849 393052813 /nfs/dbraw/zinc/05/28/13/393052813.db2.gz BFUKGNLYKGFLSX-SFHVURJKSA-N 1 3 274.452 3.426 20 0 CGADHO CC(C)c1ccc(CC[N@H+](C)[C@H]2CCCNCC2)cc1 ZINC000414727849 393052816 /nfs/dbraw/zinc/05/28/16/393052816.db2.gz BFUKGNLYKGFLSX-SFHVURJKSA-N 1 3 274.452 3.426 20 0 CGADHO CC(C)c1ccc(CC[N@@H+](C)[C@H]2CCCNCC2)cc1 ZINC000414727849 393052820 /nfs/dbraw/zinc/05/28/20/393052820.db2.gz BFUKGNLYKGFLSX-SFHVURJKSA-N 1 3 274.452 3.426 20 0 CGADHO CC(C)[C@@H]([NH3+])CNCCCc1c(Cl)cccc1Cl ZINC000414791620 393055180 /nfs/dbraw/zinc/05/51/80/393055180.db2.gz IAHOIBRNGPKLQL-AWEZNQCLSA-N 1 3 289.250 3.499 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000414945774 393057972 /nfs/dbraw/zinc/05/79/72/393057972.db2.gz IVVPKAVOVZRXNT-PBHICJAKSA-N 1 3 260.425 3.083 20 0 CGADHO CC(C)c1ccc(CCN[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414945774 393057976 /nfs/dbraw/zinc/05/79/76/393057976.db2.gz IVVPKAVOVZRXNT-PBHICJAKSA-N 1 3 260.425 3.083 20 0 CGADHO Cc1ncsc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415053707 393115148 /nfs/dbraw/zinc/11/51/48/393115148.db2.gz MRQNYHZXTXLPKA-AWEZNQCLSA-N 1 3 275.421 3.021 20 0 CGADHO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415057008 393117883 /nfs/dbraw/zinc/11/78/83/393117883.db2.gz RRVQDSYAYIROLP-FZKQIMNGSA-N 1 3 286.419 3.412 20 0 CGADHO CCc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415057008 393117893 /nfs/dbraw/zinc/11/78/93/393117893.db2.gz RRVQDSYAYIROLP-FZKQIMNGSA-N 1 3 286.419 3.412 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057008 393117901 /nfs/dbraw/zinc/11/79/01/393117901.db2.gz RRVQDSYAYIROLP-FZKQIMNGSA-N 1 3 286.419 3.412 20 0 CGADHO c1oc2ccccc2c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057503 393118971 /nfs/dbraw/zinc/11/89/71/393118971.db2.gz UPPWAJRJPIPEAY-WMLDXEAASA-N 1 3 284.403 3.397 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1c(F)cccc1N1CCCC1 ZINC000415062379 393122388 /nfs/dbraw/zinc/12/23/88/393122388.db2.gz LXWWEDCEWZOWPN-CQSZACIVSA-N 1 3 293.430 3.033 20 0 CGADHO C[C@@H](NC1CCC([NH3+])CC1)c1nc(C(C)(C)C)cs1 ZINC000415084008 393136023 /nfs/dbraw/zinc/13/60/23/393136023.db2.gz QPMIHBFLPRZXGG-VOMCLLRMSA-N 1 3 281.469 3.361 20 0 CGADHO c1sc2ccccc2c1CCN[C@H]1CCC[NH2+]CC1 ZINC000415081911 393137206 /nfs/dbraw/zinc/13/72/06/393137206.db2.gz LEVTVXKAMFMCCP-AWEZNQCLSA-N 1 3 274.433 3.176 20 0 CGADHO c1sc2ccccc2c1CC[NH2+][C@H]1CCCNCC1 ZINC000415081911 393137215 /nfs/dbraw/zinc/13/72/15/393137215.db2.gz LEVTVXKAMFMCCP-AWEZNQCLSA-N 1 3 274.433 3.176 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000469987680 393224191 /nfs/dbraw/zinc/22/41/91/393224191.db2.gz UGBVLVRZGIYXGX-ROUUACIJSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000469987680 393224199 /nfs/dbraw/zinc/22/41/99/393224199.db2.gz UGBVLVRZGIYXGX-ROUUACIJSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000469987680 393224206 /nfs/dbraw/zinc/22/42/06/393224206.db2.gz UGBVLVRZGIYXGX-ROUUACIJSA-N 1 3 274.452 3.248 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000355205873 393257774 /nfs/dbraw/zinc/25/77/74/393257774.db2.gz KTCUSYZOLFTIDE-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000355205873 393257785 /nfs/dbraw/zinc/25/77/85/393257785.db2.gz KTCUSYZOLFTIDE-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000470256905 393235453 /nfs/dbraw/zinc/23/54/53/393235453.db2.gz INAQTIPNIUTHNM-NVXWUHKLSA-N 1 3 290.451 3.164 20 0 CGADHO CC[N@H+]1CC[C@@H](NCC(C)(C)Oc2ccccc2)[C@H](C)C1 ZINC000470256905 393235457 /nfs/dbraw/zinc/23/54/57/393235457.db2.gz INAQTIPNIUTHNM-NVXWUHKLSA-N 1 3 290.451 3.164 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000483500238 393443105 /nfs/dbraw/zinc/44/31/05/393443105.db2.gz GVUFJHJPISTSNX-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000483500238 393443108 /nfs/dbraw/zinc/44/31/08/393443108.db2.gz GVUFJHJPISTSNX-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CCCc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1 ZINC000420254745 393443474 /nfs/dbraw/zinc/44/34/74/393443474.db2.gz GXJTUFCKQPYMSQ-LSDHHAIUSA-N 1 3 295.430 3.233 20 0 CGADHO Cc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c2ccccc2n1 ZINC000487045677 393448875 /nfs/dbraw/zinc/44/88/75/393448875.db2.gz LVJKOFYSDKJANI-GOSISDBHSA-N 1 3 283.419 3.320 20 0 CGADHO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c2ccccc2n1 ZINC000487045677 393448878 /nfs/dbraw/zinc/44/88/78/393448878.db2.gz LVJKOFYSDKJANI-GOSISDBHSA-N 1 3 283.419 3.320 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420288499 393449702 /nfs/dbraw/zinc/44/97/02/393449702.db2.gz IYBORDFEYURFCZ-QEORTHHSSA-N 1 3 276.399 3.262 20 0 CGADHO CCc1ccccc1CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000420320845 393466408 /nfs/dbraw/zinc/46/64/08/393466408.db2.gz ZHSJUKZQIUDSKP-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO Clc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420365199 393474379 /nfs/dbraw/zinc/47/43/79/393474379.db2.gz DTKGITHMAPJJMM-WBMJQRKESA-N 1 3 278.827 3.380 20 0 CGADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420414706 393486000 /nfs/dbraw/zinc/48/60/00/393486000.db2.gz USYHBBKYYXEGIT-GHMZBOCLSA-N 1 3 270.779 3.129 20 0 CGADHO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](C)N)C(C)C ZINC000420412723 393486439 /nfs/dbraw/zinc/48/64/39/393486439.db2.gz SORKUAVFRYLURB-IAQYHMDHSA-N 1 3 260.381 3.375 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)CS1 ZINC000488452840 393520769 /nfs/dbraw/zinc/52/07/69/393520769.db2.gz YNKFMEKTGQMAOM-XHSDSOJGSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)CS1 ZINC000488452840 393520773 /nfs/dbraw/zinc/52/07/73/393520773.db2.gz YNKFMEKTGQMAOM-XHSDSOJGSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452840 393520776 /nfs/dbraw/zinc/52/07/76/393520776.db2.gz YNKFMEKTGQMAOM-XHSDSOJGSA-N 1 3 284.513 3.227 20 0 CGADHO CC[NH+](CC)CCSCCN(C)Cc1ccccc1 ZINC000430092657 393521082 /nfs/dbraw/zinc/52/10/82/393521082.db2.gz AWBZZCQNVVBUCD-UHFFFAOYSA-N 1 3 280.481 3.193 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)CS1 ZINC000488531554 393533859 /nfs/dbraw/zinc/53/38/59/393533859.db2.gz FFZWLTVFSDETSE-HUUCEWRRSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CS1 ZINC000488531554 393533862 /nfs/dbraw/zinc/53/38/62/393533862.db2.gz FFZWLTVFSDETSE-HUUCEWRRSA-N 1 3 284.513 3.228 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCSc2ccc(Cl)cc2)C1 ZINC000430560834 393574069 /nfs/dbraw/zinc/57/40/69/393574069.db2.gz XNSPAKDMGIMAQS-STQMWFEESA-N 1 3 298.883 3.491 20 0 CGADHO Cc1ccc(SCCN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430552809 393575312 /nfs/dbraw/zinc/57/53/12/393575312.db2.gz BUUUHIYTDBQACH-CVEARBPZSA-N 1 3 292.492 3.455 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@H]1CCCC[NH2+]1)CC3 ZINC000666769669 542814567 /nfs/dbraw/zinc/81/45/67/542814567.db2.gz AJJGADKMCNOIJT-HUUCEWRRSA-N 1 3 297.446 3.065 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000666857972 542821365 /nfs/dbraw/zinc/82/13/65/542821365.db2.gz RJZZFRVKWXLWRE-OKZBNKHCSA-N 1 3 272.436 3.363 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000666857639 542821944 /nfs/dbraw/zinc/82/19/44/542821944.db2.gz CLOUHBYWQKNXSZ-DZGCQCFKSA-N 1 3 278.465 3.071 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000666857639 542821947 /nfs/dbraw/zinc/82/19/47/542821947.db2.gz CLOUHBYWQKNXSZ-DZGCQCFKSA-N 1 3 278.465 3.071 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000666858959 542821972 /nfs/dbraw/zinc/82/19/72/542821972.db2.gz ODQOJWKDXDXIOZ-KSZLIROESA-N 1 3 272.436 3.229 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360838258 393595870 /nfs/dbraw/zinc/59/58/70/393595870.db2.gz TYZXJGCKQYTBTO-MAUKXSAKSA-N 1 3 287.451 3.244 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2ccccc2)C1 ZINC000433079240 393682347 /nfs/dbraw/zinc/68/23/47/393682347.db2.gz YUPOBIWXRWWJQM-QZTJIDSGSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](c2ccccc2)C1 ZINC000433079240 393682349 /nfs/dbraw/zinc/68/23/49/393682349.db2.gz YUPOBIWXRWWJQM-QZTJIDSGSA-N 1 3 272.436 3.350 20 0 CGADHO CCC1CCC(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422708313 393640596 /nfs/dbraw/zinc/64/05/96/393640596.db2.gz BMSMWIDHYDGQIZ-PRLABOORSA-N 1 3 252.446 3.181 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@H](C)C2CNC2)CC1 ZINC000422757945 393642147 /nfs/dbraw/zinc/64/21/47/393642147.db2.gz DITCGKILPHISMV-LRVUVFPRSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000422895971 393645464 /nfs/dbraw/zinc/64/54/64/393645464.db2.gz GYPIYEVPSAQTJN-ZFWWWQNUSA-N 1 3 296.842 3.134 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422966612 393647763 /nfs/dbraw/zinc/64/77/63/393647763.db2.gz NWBMFSNRMXORJB-KNTRFNDTSA-N 1 3 294.442 3.481 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](N)C(C)C ZINC000423282843 393658649 /nfs/dbraw/zinc/65/86/49/393658649.db2.gz WOGDUPMKNLYQBL-WBVHZDCISA-N 1 3 285.435 3.427 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](N)C(C)C ZINC000423282841 393659211 /nfs/dbraw/zinc/65/92/11/393659211.db2.gz WOGDUPMKNLYQBL-NVXWUHKLSA-N 1 3 285.435 3.427 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCC1C[NH2+]C1 ZINC000423305300 393660529 /nfs/dbraw/zinc/66/05/29/393660529.db2.gz QMNUWHPSQHIDME-ZDUSSCGKSA-N 1 3 284.856 3.020 20 0 CGADHO Cc1cc2c(cc1C)[C@@H]([NH2+]CC1(N)CCC1)CCS2 ZINC000423325132 393661687 /nfs/dbraw/zinc/66/16/87/393661687.db2.gz KWVVBIWOTJDGRV-AWEZNQCLSA-N 1 3 276.449 3.311 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](N)C2CC2)c2ccccc21 ZINC000423339162 393662287 /nfs/dbraw/zinc/66/22/87/393662287.db2.gz ZGSDDXYDYGRHJO-YESZJQIVSA-N 1 3 258.409 3.198 20 0 CGADHO CC(C)[C@@H]([NH2+]CC1(N)CCC1)c1ccc(F)c(F)c1 ZINC000423327339 393662428 /nfs/dbraw/zinc/66/24/28/393662428.db2.gz MWKOZCAITRYMLL-CQSZACIVSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1nccc2ccccc21 ZINC000423376331 393663875 /nfs/dbraw/zinc/66/38/75/393663875.db2.gz VAWOUHRAOOAMEX-CFVMTHIKSA-N 1 3 269.392 3.155 20 0 CGADHO Fc1ccc(F)c2c1CC[C@@H]2NCCC[C@H]1CCC[NH2+]1 ZINC000423472548 393670132 /nfs/dbraw/zinc/67/01/32/393670132.db2.gz GAFNQBMDIAHRHK-ABAIWWIYSA-N 1 3 280.362 3.074 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000443434969 393757051 /nfs/dbraw/zinc/75/70/51/393757051.db2.gz FPZMMNDKXWIZFC-CVEARBPZSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1nc2ccccc2c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000443434969 393757056 /nfs/dbraw/zinc/75/70/56/393757056.db2.gz FPZMMNDKXWIZFC-CVEARBPZSA-N 1 3 295.430 3.312 20 0 CGADHO Clc1oc2ccccc2c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952522 542827977 /nfs/dbraw/zinc/82/79/77/542827977.db2.gz ZPXQEPJUOBDOOP-AWEZNQCLSA-N 1 3 290.794 3.318 20 0 CGADHO c1cc(-c2ccccc2)oc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666953969 542829157 /nfs/dbraw/zinc/82/91/57/542829157.db2.gz MDLFCSULWXJWRV-QGZVFWFLSA-N 1 3 282.387 3.178 20 0 CGADHO CCc1cccc(Cl)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666955506 542829284 /nfs/dbraw/zinc/82/92/84/542829284.db2.gz RSMNRHKNHFFZAS-OAHLLOKOSA-N 1 3 278.827 3.134 20 0 CGADHO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449551993 393897217 /nfs/dbraw/zinc/89/72/17/393897217.db2.gz HSOJFEDQWYNMBX-ZFWWWQNUSA-N 1 3 252.446 3.131 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666996999 542834045 /nfs/dbraw/zinc/83/40/45/542834045.db2.gz QRILTBDHPGOLFD-WBVHZDCISA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1 ZINC000453116950 394177190 /nfs/dbraw/zinc/17/71/90/394177190.db2.gz IJGGXUWBNSFWOK-HZPDHXFCSA-N 1 3 277.456 3.489 20 0 CGADHO CCCOc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)c(C)c1 ZINC000667629822 542900549 /nfs/dbraw/zinc/90/05/49/542900549.db2.gz OWFSQYUZDMUMNV-MRXNPFEDSA-N 1 3 290.451 3.167 20 0 CGADHO CCCOc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)c(C)c1 ZINC000667629822 542900550 /nfs/dbraw/zinc/90/05/50/542900550.db2.gz OWFSQYUZDMUMNV-MRXNPFEDSA-N 1 3 290.451 3.167 20 0 CGADHO c1cc(CN2CCC(C[NH2+]C3CC4(CCC4)C3)CC2)ccn1 ZINC000668512463 543021243 /nfs/dbraw/zinc/02/12/43/543021243.db2.gz MYAINTOEHPFDBP-UHFFFAOYSA-N 1 3 299.462 3.216 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265170 543147942 /nfs/dbraw/zinc/14/79/42/543147942.db2.gz VMOIYDWSDLTOPL-GDBMZVCRSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265170 543147944 /nfs/dbraw/zinc/14/79/44/543147944.db2.gz VMOIYDWSDLTOPL-GDBMZVCRSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc(OCCN(C)C)c1)C(C)(C)C ZINC000670266714 543148958 /nfs/dbraw/zinc/14/89/58/543148958.db2.gz UTAGITBAUUOITB-OAHLLOKOSA-N 1 3 292.467 3.399 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)cc1 ZINC000423326595 292110356 /nfs/dbraw/zinc/11/03/56/292110356.db2.gz COUHAUDIEZHIHE-OALUTQOASA-N 1 3 286.463 3.295 20 0 CGADHO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000164293992 397658931 /nfs/dbraw/zinc/65/89/31/397658931.db2.gz NULRTWXXYHAMLA-GJZGRUSLSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](C[NH2+]CC1=CCN(C)CC1)C1CCCCC1 ZINC000392267800 397693109 /nfs/dbraw/zinc/69/31/09/397693109.db2.gz IVKMPFMDUNSXNH-CQSZACIVSA-N 1 3 250.430 3.054 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000421323552 397702009 /nfs/dbraw/zinc/70/20/09/397702009.db2.gz IIWOEUMRWWORTL-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(F)c(C)c1 ZINC000650719493 397902050 /nfs/dbraw/zinc/90/20/50/397902050.db2.gz RUDUJNHVWPRJHS-UHFFFAOYSA-N 1 3 272.367 3.143 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(Cl)c(F)c1 ZINC000650719367 397902245 /nfs/dbraw/zinc/90/22/45/397902245.db2.gz NVLBCWGPAQQAMK-UHFFFAOYSA-N 1 3 292.785 3.488 20 0 CGADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccc(F)cc1Cl ZINC000650744313 397905628 /nfs/dbraw/zinc/90/56/28/397905628.db2.gz KXEPTODPIJGKIC-JTQLQIEISA-N 1 3 270.779 3.259 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCC23CCCC3)c(F)c1 ZINC000650754148 397909347 /nfs/dbraw/zinc/90/93/47/397909347.db2.gz BVPIIGPJBJSDBA-HNNXBMFYSA-N 1 3 262.372 3.097 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000650757141 397910286 /nfs/dbraw/zinc/91/02/86/397910286.db2.gz PSTLWEKUFGDKRN-LJQANCHMSA-N 1 3 296.414 3.279 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCNc2ccccc21 ZINC000650756776 397910363 /nfs/dbraw/zinc/91/03/63/397910363.db2.gz JTRJMCZVVUIXBU-IBGZPJMESA-N 1 3 295.430 3.443 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCCC1 ZINC000421840009 292146684 /nfs/dbraw/zinc/14/66/84/292146684.db2.gz ZHZXUPIBFJLKAB-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000421840009 292146687 /nfs/dbraw/zinc/14/66/87/292146687.db2.gz ZHZXUPIBFJLKAB-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840009 292146688 /nfs/dbraw/zinc/14/66/88/292146688.db2.gz ZHZXUPIBFJLKAB-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2CCc3cc(C)ccc32)CC1 ZINC000675798308 543365725 /nfs/dbraw/zinc/36/57/25/543365725.db2.gz YPRIMUVAQUMTRB-SFHVURJKSA-N 1 3 272.436 3.446 20 0 CGADHO CN(Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000676412585 543396486 /nfs/dbraw/zinc/39/64/86/543396486.db2.gz QYRJZZYZKNLIIL-UHFFFAOYSA-N 1 3 298.430 3.259 20 0 CGADHO Cc1ccc([C@H](C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677239958 543440570 /nfs/dbraw/zinc/44/05/70/543440570.db2.gz ANRJAXNMGSKHBP-NXHRZFHOSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1ccc([C@H](C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677239958 543440573 /nfs/dbraw/zinc/44/05/73/543440573.db2.gz ANRJAXNMGSKHBP-NXHRZFHOSA-N 1 3 272.436 3.315 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)[C@H]1C ZINC000678222751 543495819 /nfs/dbraw/zinc/49/58/19/543495819.db2.gz UPHJOBMVGATKIT-CVEARBPZSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)[C@H]1C ZINC000678222751 543495822 /nfs/dbraw/zinc/49/58/22/543495822.db2.gz UPHJOBMVGATKIT-CVEARBPZSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271127 543506892 /nfs/dbraw/zinc/50/68/92/543506892.db2.gz OREGHIHWWPMZKS-DOTOQJQBSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271127 543506894 /nfs/dbraw/zinc/50/68/94/543506894.db2.gz OREGHIHWWPMZKS-DOTOQJQBSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000678596655 543540239 /nfs/dbraw/zinc/54/02/39/543540239.db2.gz IDKJEARGRCVROJ-IKLKHMQRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000678596655 543540241 /nfs/dbraw/zinc/54/02/41/543540241.db2.gz IDKJEARGRCVROJ-IKLKHMQRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000678766266 543554183 /nfs/dbraw/zinc/55/41/83/543554183.db2.gz NKRSWEAAGGKLRU-VCBZYWHSSA-N 1 3 284.447 3.384 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000678766266 543554184 /nfs/dbraw/zinc/55/41/84/543554184.db2.gz NKRSWEAAGGKLRU-VCBZYWHSSA-N 1 3 284.447 3.384 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1CC12CCCC2 ZINC000423075066 296626616 /nfs/dbraw/zinc/62/66/16/296626616.db2.gz NKLCJBDRGJEJFR-SZVBFZGTSA-N 1 3 298.430 3.165 20 0 CGADHO COCC1(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCCC1 ZINC000423157434 292249120 /nfs/dbraw/zinc/24/91/20/292249120.db2.gz BAVLZFJOFCLPDG-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCC1 ZINC000261568964 286657886 /nfs/dbraw/zinc/65/78/86/286657886.db2.gz LENSVBLXMGAGOP-RRFJBIMHSA-N 1 3 282.497 3.173 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC000423078968 287030265 /nfs/dbraw/zinc/03/02/65/287030265.db2.gz WYTCCTFBSYUTIX-MCIONIFRSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCC(F)(F)CC1 ZINC000423326566 287034449 /nfs/dbraw/zinc/03/44/49/287034449.db2.gz CMCPOILZTOWDNI-OCCSQVGLSA-N 1 3 274.399 3.180 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461044 165146660 /nfs/dbraw/zinc/14/66/60/165146660.db2.gz AWHXLLDYEJNJDU-NVXWUHKLSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461044 165146666 /nfs/dbraw/zinc/14/66/66/165146666.db2.gz AWHXLLDYEJNJDU-NVXWUHKLSA-N 1 3 260.425 3.157 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000089428376 165204813 /nfs/dbraw/zinc/20/48/13/165204813.db2.gz NDJOTPNDDJRAAC-HFTRVMKXSA-N 1 3 290.426 3.488 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000089428376 165204815 /nfs/dbraw/zinc/20/48/15/165204815.db2.gz NDJOTPNDDJRAAC-HFTRVMKXSA-N 1 3 290.426 3.488 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CCCC1 ZINC000430695154 287107128 /nfs/dbraw/zinc/10/71/28/287107128.db2.gz GIVVZJMUJCDEES-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093212537 165326306 /nfs/dbraw/zinc/32/63/06/165326306.db2.gz AUXYUDVOQPNKPQ-YIDVYQOGSA-N 1 3 252.446 3.307 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000094522161 165352031 /nfs/dbraw/zinc/35/20/31/165352031.db2.gz OMJYIKSLDIKNNW-SUMWQHHRSA-N 1 3 258.409 3.123 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1F ZINC000094836710 165392417 /nfs/dbraw/zinc/39/24/17/165392417.db2.gz CKYLJPKLHHBABL-AWEZNQCLSA-N 1 3 264.388 3.271 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000094875217 165395137 /nfs/dbraw/zinc/39/51/37/165395137.db2.gz AZTJXRFTXXUDEU-MELADBBJSA-N 1 3 264.438 3.067 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000119240513 287167114 /nfs/dbraw/zinc/16/71/14/287167114.db2.gz YAHMURIYJUZRTR-YQQAZPJKSA-N 1 3 290.451 3.212 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC12CCCC2)CN1CCCCC1 ZINC000474048996 298780907 /nfs/dbraw/zinc/78/09/07/298780907.db2.gz ZBTUJKMWKZKMFK-HZPDHXFCSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000020124169 171006622 /nfs/dbraw/zinc/00/66/22/171006622.db2.gz DORYKJLHENGSNO-NSHDSACASA-N 1 3 252.789 3.085 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000020129191 171017205 /nfs/dbraw/zinc/01/72/05/171017205.db2.gz YZNPNIKSXDXQAU-ZDUSSCGKSA-N 1 3 298.377 3.425 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2CCc3ccc(C)cc32)CC1 ZINC000126470281 287265532 /nfs/dbraw/zinc/26/55/32/287265532.db2.gz LMKHEUYQEBYNTO-GOSISDBHSA-N 1 3 272.436 3.446 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH+]1CCCC1)CC2 ZINC000126567136 287267687 /nfs/dbraw/zinc/26/76/87/287267687.db2.gz GWIQCDXFGXDOJR-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CCCC1)CC2 ZINC000126567136 287267689 /nfs/dbraw/zinc/26/76/89/287267689.db2.gz GWIQCDXFGXDOJR-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)CN1CCCCC1 ZINC000037997561 173959173 /nfs/dbraw/zinc/95/91/73/173959173.db2.gz HTSFPURPAXBKFS-JKSUJKDBSA-N 1 3 250.430 3.054 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)CN1CCCC1 ZINC000127611644 287291873 /nfs/dbraw/zinc/29/18/73/287291873.db2.gz AYKIYUKCWHOENR-LSDHHAIUSA-N 1 3 278.415 3.251 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043388588 175033101 /nfs/dbraw/zinc/03/31/01/175033101.db2.gz FLMFCDPPFBJVDD-UHFFFAOYSA-N 1 3 284.806 3.442 20 0 CGADHO C[NH+]1CCC(CNCc2ccc(Cl)cc2Cl)CC1 ZINC000044515385 175190016 /nfs/dbraw/zinc/19/00/16/175190016.db2.gz SIBMGMBIIIOHEO-UHFFFAOYSA-N 1 3 287.234 3.425 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000226347695 416521906 /nfs/dbraw/zinc/52/19/06/416521906.db2.gz LMYOCCMCCXFJNI-MCIONIFRSA-N 1 3 298.883 3.454 20 0 CGADHO CC1CCC([N@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC000226436555 416521964 /nfs/dbraw/zinc/52/19/64/416521964.db2.gz BJFJSTPNLWYNNA-SHARSMKWSA-N 1 3 250.430 3.029 20 0 CGADHO CC1CCC([N@@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC000226436555 416521971 /nfs/dbraw/zinc/52/19/71/416521971.db2.gz BJFJSTPNLWYNNA-SHARSMKWSA-N 1 3 250.430 3.029 20 0 CGADHO CSc1ccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404343486 416551415 /nfs/dbraw/zinc/55/14/15/416551415.db2.gz GAFHRGNKGSFILH-CZUORRHYSA-N 1 3 278.465 3.358 20 0 CGADHO CC[C@@H]1CN(Cc2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000134096334 416516980 /nfs/dbraw/zinc/51/69/80/416516980.db2.gz SDGLHKBUJIHJHU-WBVHZDCISA-N 1 3 260.425 3.369 20 0 CGADHO C[C@H](NC1(c2ccccc2F)CC1)C1CC[NH+](C)CC1 ZINC000679050221 543586744 /nfs/dbraw/zinc/58/67/44/543586744.db2.gz GNUIMUGSMLUYOW-ZDUSSCGKSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493819 543791840 /nfs/dbraw/zinc/79/18/40/543791840.db2.gz MPXVMSMUGUBYRD-MAUKXSAKSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493819 543791841 /nfs/dbraw/zinc/79/18/41/543791841.db2.gz MPXVMSMUGUBYRD-MAUKXSAKSA-N 1 3 290.451 3.247 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071773 543819404 /nfs/dbraw/zinc/81/94/04/543819404.db2.gz IZQSCRBYZWVIGI-KBXCAEBGSA-N 1 3 285.435 3.330 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071773 543819408 /nfs/dbraw/zinc/81/94/08/543819408.db2.gz IZQSCRBYZWVIGI-KBXCAEBGSA-N 1 3 285.435 3.330 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOC1CCCCCC1 ZINC000131572113 287383964 /nfs/dbraw/zinc/38/39/64/287383964.db2.gz GAOKENWZEMTKHB-VYDXJSESSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOC1CCCCCC1 ZINC000131572113 287383965 /nfs/dbraw/zinc/38/39/65/287383965.db2.gz GAOKENWZEMTKHB-VYDXJSESSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOC1CCCCCC1 ZINC000131572484 287384013 /nfs/dbraw/zinc/38/40/13/287384013.db2.gz GAOKENWZEMTKHB-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOC1CCCCCC1 ZINC000131572484 287384014 /nfs/dbraw/zinc/38/40/14/287384014.db2.gz GAOKENWZEMTKHB-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683831383 543946300 /nfs/dbraw/zinc/94/63/00/543946300.db2.gz VFKGADDKHCOYMI-BEFAXECRSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3cnccc3c2)[C@H](C)C1 ZINC000683831383 543946301 /nfs/dbraw/zinc/94/63/01/543946301.db2.gz VFKGADDKHCOYMI-BEFAXECRSA-N 1 3 297.446 3.397 20 0 CGADHO COc1cccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1C ZINC000658352315 418946918 /nfs/dbraw/zinc/94/69/18/418946918.db2.gz HXBYXHATLPGUTG-UHFFFAOYSA-N 1 3 290.451 3.356 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC000652352232 418956566 /nfs/dbraw/zinc/95/65/66/418956566.db2.gz VOWPQVPLDAWKQJ-HOTGVXAUSA-N 1 3 250.430 3.018 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC000652352232 418956570 /nfs/dbraw/zinc/95/65/70/418956570.db2.gz VOWPQVPLDAWKQJ-HOTGVXAUSA-N 1 3 250.430 3.018 20 0 CGADHO CC(C)=CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659945207 419041191 /nfs/dbraw/zinc/04/11/91/419041191.db2.gz TYLTWXPWRZPUTD-MRXNPFEDSA-N 1 3 250.430 3.293 20 0 CGADHO C[C@H](Cc1coc2ccccc12)NCC1([NH3+])CCCC1 ZINC000665246800 419091166 /nfs/dbraw/zinc/09/11/66/419091166.db2.gz OGBWGXFIVBPCCO-CYBMUJFWSA-N 1 3 272.392 3.225 20 0 CGADHO CC(C)C[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253165 419093980 /nfs/dbraw/zinc/09/39/80/419093980.db2.gz IPWSDQHIHIGMJU-IAOVAPTHSA-N 1 3 278.415 3.295 20 0 CGADHO C[C@@H](NC1CCC2(CC2(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000665274174 419098692 /nfs/dbraw/zinc/09/86/92/419098692.db2.gz LHJGHOXKGYVBER-NELGMTEASA-N 1 3 272.383 3.075 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000665282839 419103025 /nfs/dbraw/zinc/10/30/25/419103025.db2.gz CPAPWMJKHOHRRZ-OLMNPRSZSA-N 1 3 272.436 3.350 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665282024 419103519 /nfs/dbraw/zinc/10/35/19/419103519.db2.gz PBVYIFFRVAZWCO-QSPRXWTASA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665282024 419103524 /nfs/dbraw/zinc/10/35/24/419103524.db2.gz PBVYIFFRVAZWCO-QSPRXWTASA-N 1 3 260.425 3.142 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1cccc(F)c1 ZINC000665282337 419103532 /nfs/dbraw/zinc/10/35/32/419103532.db2.gz VYSQMQCTQMTQBU-HUUCEWRRSA-N 1 3 252.377 3.240 20 0 CGADHO COCC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000655817217 419108512 /nfs/dbraw/zinc/10/85/12/419108512.db2.gz IVBZPHCMERDNLV-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000656197765 419149077 /nfs/dbraw/zinc/14/90/77/419149077.db2.gz JDBVVRMYHXGIIE-HUUCEWRRSA-N 1 3 262.372 3.064 20 0 CGADHO c1ccc(C[NH2+]C2CCN(CCC3CCC3)CC2)cc1 ZINC000660680741 419182527 /nfs/dbraw/zinc/18/25/27/419182527.db2.gz WQMQQHOLSWJAIB-UHFFFAOYSA-N 1 3 272.436 3.431 20 0 CGADHO C(=C/c1ccccc1)\CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786657 419219057 /nfs/dbraw/zinc/21/90/57/419219057.db2.gz VUJRQJBLWJIQBC-MEQKGCOVSA-N 1 3 284.447 3.411 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2cccc(C3CCCC3)c2)C1 ZINC000656786763 419219905 /nfs/dbraw/zinc/21/99/05/419219905.db2.gz QFMUUKYFMSYMQX-HNNXBMFYSA-N 1 3 258.409 3.125 20 0 CGADHO Fc1ccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656785578 419220021 /nfs/dbraw/zinc/22/00/21/419220021.db2.gz MHKLHDFUPLQSPQ-OAHLLOKOSA-N 1 3 294.389 3.176 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@@]2(C)CC=CCC2)cc1 ZINC000657250327 419237135 /nfs/dbraw/zinc/23/71/35/419237135.db2.gz LAOMFQOCZRRYJX-SFHVURJKSA-N 1 3 288.435 3.215 20 0 CGADHO c1coc(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000662297695 419388257 /nfs/dbraw/zinc/38/82/57/419388257.db2.gz IKTJZUVNEZTMCY-UHFFFAOYSA-N 1 3 296.414 3.305 20 0 CGADHO CCC(CC)[N@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000662251691 419374177 /nfs/dbraw/zinc/37/41/77/419374177.db2.gz DLXGXRVPMPEMHU-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO CCC(CC)[N@@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000662251691 419374181 /nfs/dbraw/zinc/37/41/81/419374181.db2.gz DLXGXRVPMPEMHU-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO CN(C[C@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263865 419377197 /nfs/dbraw/zinc/37/71/97/419377197.db2.gz FZLFAYUUNXZFOG-JZWPEALZSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1CN ZINC000662280130 419382277 /nfs/dbraw/zinc/38/22/77/419382277.db2.gz CTZOBAXAHPIZMF-HYVNUMGLSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1CN ZINC000662280130 419382282 /nfs/dbraw/zinc/38/22/82/419382282.db2.gz CTZOBAXAHPIZMF-HYVNUMGLSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000662280130 419382287 /nfs/dbraw/zinc/38/22/87/419382287.db2.gz CTZOBAXAHPIZMF-HYVNUMGLSA-N 1 3 272.436 3.023 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657842727 419383581 /nfs/dbraw/zinc/38/35/81/419383581.db2.gz WYDUJECBQFFJFX-CHWSQXEVSA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657842727 419383587 /nfs/dbraw/zinc/38/35/87/419383587.db2.gz WYDUJECBQFFJFX-CHWSQXEVSA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc3ccncc3s2)C1 ZINC000657842727 419383592 /nfs/dbraw/zinc/38/35/92/419383592.db2.gz WYDUJECBQFFJFX-CHWSQXEVSA-N 1 3 289.448 3.289 20 0 CGADHO CNCCC[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662282129 419384043 /nfs/dbraw/zinc/38/40/43/419384043.db2.gz SGBBGETWLNUFMI-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO CNCCC[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662282129 419384048 /nfs/dbraw/zinc/38/40/48/419384048.db2.gz SGBBGETWLNUFMI-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO C[NH2+]CCCN(C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662282129 419384053 /nfs/dbraw/zinc/38/40/53/419384053.db2.gz SGBBGETWLNUFMI-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284360 419384817 /nfs/dbraw/zinc/38/48/17/419384817.db2.gz MTYSIEAMUQYNKA-IDCNUPLLSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284360 419384821 /nfs/dbraw/zinc/38/48/21/419384821.db2.gz MTYSIEAMUQYNKA-IDCNUPLLSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284360 419384824 /nfs/dbraw/zinc/38/48/24/419384824.db2.gz MTYSIEAMUQYNKA-IDCNUPLLSA-N 1 3 272.436 3.382 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000662283135 419385619 /nfs/dbraw/zinc/38/56/19/419385619.db2.gz RERFULKNDGLZRC-INIZCTEOSA-N 1 3 258.409 3.001 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CCCSCC1)C(C)C ZINC000657901614 419426095 /nfs/dbraw/zinc/42/60/95/419426095.db2.gz ZSVAHEYRCYEJNF-HNNXBMFYSA-N 1 3 272.502 3.371 20 0 CGADHO CC(C)N(CCC[NH2+][C@H]1CCCSCC1)C(C)C ZINC000657901614 419426103 /nfs/dbraw/zinc/42/61/03/419426103.db2.gz ZSVAHEYRCYEJNF-HNNXBMFYSA-N 1 3 272.502 3.371 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCCC12CC2)N1CCCCC1 ZINC000657973807 419470595 /nfs/dbraw/zinc/47/05/95/419470595.db2.gz UYZWCHIQRADZAE-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccn1 ZINC000658064484 419540116 /nfs/dbraw/zinc/54/01/16/419540116.db2.gz OEVCKWFAVKGDTG-AWEZNQCLSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccccn1 ZINC000658064484 419540127 /nfs/dbraw/zinc/54/01/27/419540127.db2.gz OEVCKWFAVKGDTG-AWEZNQCLSA-N 1 3 275.440 3.038 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000663499264 419636934 /nfs/dbraw/zinc/63/69/34/419636934.db2.gz HQPAOWNPDGXWAH-NVXWUHKLSA-N 1 3 262.441 3.279 20 0 CGADHO Cc1ccc(CC[C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663499264 419636942 /nfs/dbraw/zinc/63/69/42/419636942.db2.gz HQPAOWNPDGXWAH-NVXWUHKLSA-N 1 3 262.441 3.279 20 0 CGADHO CC1(c2ccccc2)CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663497075 419637464 /nfs/dbraw/zinc/63/74/64/419637464.db2.gz BCQQIFPZNMWNKB-UHFFFAOYSA-N 1 3 284.447 3.229 20 0 CGADHO CC1(c2ccccc2)CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663497075 419637472 /nfs/dbraw/zinc/63/74/72/419637472.db2.gz BCQQIFPZNMWNKB-UHFFFAOYSA-N 1 3 284.447 3.229 20 0 CGADHO C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663466361 419615950 /nfs/dbraw/zinc/61/59/50/419615950.db2.gz RSQJJBPFDLRUAH-DLBZAZTESA-N 1 3 276.468 3.421 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1C ZINC000663466380 419620943 /nfs/dbraw/zinc/62/09/43/419620943.db2.gz RYKKIRQBCYCZCE-XBVQOTNRSA-N 1 3 264.457 3.133 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC34CC4)CC2)ccn1 ZINC000658165889 419630688 /nfs/dbraw/zinc/63/06/88/419630688.db2.gz SLVUAQFVCYRMFP-GOSISDBHSA-N 1 3 299.462 3.216 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@@H](N)C(C)C)CC3 ZINC000663504173 419642256 /nfs/dbraw/zinc/64/22/56/419642256.db2.gz XIHGMQFYLCENQU-WMLDXEAASA-N 1 3 299.462 3.297 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658179104 419646243 /nfs/dbraw/zinc/64/62/43/419646243.db2.gz LWQQIFJFQQRHJF-RYQLBKOJSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658179104 419646248 /nfs/dbraw/zinc/64/62/48/419646248.db2.gz LWQQIFJFQQRHJF-RYQLBKOJSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)c1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535340 270036516 /nfs/dbraw/zinc/03/65/16/270036516.db2.gz GSJGVBKTLFFYEP-INIZCTEOSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)c1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535340 270036517 /nfs/dbraw/zinc/03/65/17/270036517.db2.gz GSJGVBKTLFFYEP-INIZCTEOSA-N 1 3 260.425 3.241 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000044535677 270036665 /nfs/dbraw/zinc/03/66/65/270036665.db2.gz CSBCYAVVDRUCEB-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044535677 270036667 /nfs/dbraw/zinc/03/66/67/270036667.db2.gz CSBCYAVVDRUCEB-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000187125092 270067904 /nfs/dbraw/zinc/06/79/04/270067904.db2.gz AQBJXPKFYYSKRF-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000187125092 270067905 /nfs/dbraw/zinc/06/79/05/270067905.db2.gz AQBJXPKFYYSKRF-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCCCc2ccccc2)C1 ZINC000187125092 270067906 /nfs/dbraw/zinc/06/79/06/270067906.db2.gz AQBJXPKFYYSKRF-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCc2ccccc2)C1 ZINC000187125092 270067907 /nfs/dbraw/zinc/06/79/07/270067907.db2.gz AQBJXPKFYYSKRF-SFHVURJKSA-N 1 3 274.452 3.283 20 0 CGADHO CC1=CCC[C@@H](C)[C@H]1CN1CCC([NH2+]C(C)C)CC1 ZINC000191301202 270074660 /nfs/dbraw/zinc/07/46/60/270074660.db2.gz GJGKCNYOUGUYDI-WBVHZDCISA-N 1 3 264.457 3.441 20 0 CGADHO Cc1c[nH+]ccc1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000191977089 270076752 /nfs/dbraw/zinc/07/67/52/270076752.db2.gz WHXZFJPLEPYYAU-INIZCTEOSA-N 1 3 273.355 3.244 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328153324 270095157 /nfs/dbraw/zinc/09/51/57/270095157.db2.gz FZEMHZXYGYKSME-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000522623559 270106841 /nfs/dbraw/zinc/10/68/41/270106841.db2.gz XJUZWYAZGXWOLQ-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000522623559 270106842 /nfs/dbraw/zinc/10/68/42/270106842.db2.gz XJUZWYAZGXWOLQ-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO COC[C@@H](NCCC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000526107020 270123139 /nfs/dbraw/zinc/12/31/39/270123139.db2.gz GYOAQDYFXPVWPO-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO COC[C@@H](NCCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000526107020 270123140 /nfs/dbraw/zinc/12/31/40/270123140.db2.gz GYOAQDYFXPVWPO-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO COC[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1CCCC1 ZINC000526107020 270123141 /nfs/dbraw/zinc/12/31/41/270123141.db2.gz GYOAQDYFXPVWPO-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)N1CCCCC1 ZINC000527692133 270132124 /nfs/dbraw/zinc/13/21/24/270132124.db2.gz QEQFSJNLCDGMGG-OTRWWLKZSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC(F)(F)C1 ZINC000529558603 270184777 /nfs/dbraw/zinc/18/47/77/270184777.db2.gz UXIZXIRLHZEPJR-GFCCVEGCSA-N 1 3 274.399 3.132 20 0 CGADHO c1cc(N2CCC([NH2+]CC[C@@H]3CC=CCC3)CC2)ccn1 ZINC000529666930 270187544 /nfs/dbraw/zinc/18/75/44/270187544.db2.gz SMPMXAODTMOKKW-MRXNPFEDSA-N 1 3 285.435 3.386 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCNC23CCC3)C2CC2)c1 ZINC000530216457 270195586 /nfs/dbraw/zinc/19/55/86/270195586.db2.gz BLJXCQUQVFCZDN-ROUUACIJSA-N 1 3 284.447 3.190 20 0 CGADHO C[NH2+]CCCN1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000530233619 270196809 /nfs/dbraw/zinc/19/68/09/270196809.db2.gz YSYQIYPVBZEMGD-OAHLLOKOSA-N 1 3 264.388 3.003 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000530242732 270197233 /nfs/dbraw/zinc/19/72/33/270197233.db2.gz CXFSDMIHMRMDIP-HIFRSBDPSA-N 1 3 266.816 3.290 20 0 CGADHO CCc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c2ccccc2n1 ZINC000532780752 270219633 /nfs/dbraw/zinc/21/96/33/270219633.db2.gz WIEYZHDLHSJBFC-OAHLLOKOSA-N 1 3 297.446 3.361 20 0 CGADHO CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c2ccccc2n1 ZINC000532780752 270219634 /nfs/dbraw/zinc/21/96/34/270219634.db2.gz WIEYZHDLHSJBFC-OAHLLOKOSA-N 1 3 297.446 3.361 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280805451 275068721 /nfs/dbraw/zinc/06/87/21/275068721.db2.gz LHLRPZVXQHIYDB-TVFCKZIOSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000280805451 275068722 /nfs/dbraw/zinc/06/87/22/275068722.db2.gz LHLRPZVXQHIYDB-TVFCKZIOSA-N 1 3 270.420 3.149 20 0 CGADHO C(C1CCCC1)[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000157098546 275389861 /nfs/dbraw/zinc/38/98/61/275389861.db2.gz YXZFHPIFWAJMIR-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO C(C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157098546 275389862 /nfs/dbraw/zinc/38/98/62/275389862.db2.gz YXZFHPIFWAJMIR-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO C(C1CCCC1)[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000157098546 275389860 /nfs/dbraw/zinc/38/98/60/275389860.db2.gz YXZFHPIFWAJMIR-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000252708372 287842439 /nfs/dbraw/zinc/84/24/39/287842439.db2.gz ZXSKECKRHFDLFV-YNEHKIRRSA-N 1 3 278.362 3.229 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000249380371 276212817 /nfs/dbraw/zinc/21/28/17/276212817.db2.gz QEFLFZLNDXKJLO-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCCc3ccccc32)C1 ZINC000249380371 276212818 /nfs/dbraw/zinc/21/28/18/276212818.db2.gz QEFLFZLNDXKJLO-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCCc3ccccc32)C1 ZINC000249380371 276212819 /nfs/dbraw/zinc/21/28/19/276212819.db2.gz QEFLFZLNDXKJLO-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000037644209 276221756 /nfs/dbraw/zinc/22/17/56/276221756.db2.gz FODKIXACEAEKKB-GXTWGEPZSA-N 1 3 266.454 3.357 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000338300273 276324580 /nfs/dbraw/zinc/32/45/80/276324580.db2.gz ZMUSECACNHYOBI-JKSUJKDBSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000338300273 276324581 /nfs/dbraw/zinc/32/45/81/276324581.db2.gz ZMUSECACNHYOBI-JKSUJKDBSA-N 1 3 252.446 3.230 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000338300273 276324582 /nfs/dbraw/zinc/32/45/82/276324582.db2.gz ZMUSECACNHYOBI-JKSUJKDBSA-N 1 3 252.446 3.230 20 0 CGADHO CCS[C@@H]1CCC[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422820988 276397588 /nfs/dbraw/zinc/39/75/88/276397588.db2.gz TXVVZBGYBJQGJQ-TUVASFSCSA-N 1 3 270.486 3.171 20 0 CGADHO C(CN1CCC2(CC2)CC1)C[NH+]1CCC2(CC2)CC1 ZINC000372330715 276804312 /nfs/dbraw/zinc/80/43/12/276804312.db2.gz GOTRVWOWSRFLNE-UHFFFAOYSA-N 1 3 262.441 3.129 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000271863485 277023125 /nfs/dbraw/zinc/02/31/25/277023125.db2.gz KZENFMDEUVNTFN-QGZVFWFLSA-N 1 3 274.383 3.055 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000487532930 277397424 /nfs/dbraw/zinc/39/74/24/277397424.db2.gz FWASDUJAWYITBT-BZUAXINKSA-N 1 3 266.473 3.379 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CNC1CCC(C(F)F)CC1 ZINC000423399453 278223544 /nfs/dbraw/zinc/22/35/44/278223544.db2.gz WETVXNJUFZYWKR-BPCQOVAHSA-N 1 3 274.399 3.178 20 0 CGADHO C[C@@H](CN1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000414649853 278251320 /nfs/dbraw/zinc/25/13/20/278251320.db2.gz CNZZAXAOOYQTHB-NSHDSACASA-N 1 3 286.341 3.232 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(OC(F)F)c1 ZINC000424375353 278270938 /nfs/dbraw/zinc/27/09/38/278270938.db2.gz MXQFPGRWQCUIHC-ZLKJLUDKSA-N 1 3 284.350 3.209 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CC1(C)C ZINC000397737034 288028601 /nfs/dbraw/zinc/02/86/01/288028601.db2.gz GWXMFYRYILLBMW-FPCVCCKLSA-N 1 3 264.457 3.418 20 0 CGADHO CCC[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC1(C)C ZINC000397836779 288031925 /nfs/dbraw/zinc/03/19/25/288031925.db2.gz SRTLVSJPOPCJAX-HUUCEWRRSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000397832641 288031990 /nfs/dbraw/zinc/03/19/90/288031990.db2.gz RXHPPUPVAQYOPQ-HRCADAONSA-N 1 3 250.430 3.243 20 0 CGADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423214702 278354447 /nfs/dbraw/zinc/35/44/47/278354447.db2.gz PHJNZTFKOJTWQR-OLZOCXBDSA-N 1 3 278.465 3.277 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000422945685 278733989 /nfs/dbraw/zinc/73/39/89/278733989.db2.gz NRKOBJZKCCZXPW-CABCVRRESA-N 1 3 254.462 3.425 20 0 CGADHO CCCc1ccc([C@@H](NCC2C[NH2+]C2)C(C)C)cc1 ZINC000423299062 278986364 /nfs/dbraw/zinc/98/63/64/278986364.db2.gz BAJORXBKTVFPDN-KRWDZBQOSA-N 1 3 260.425 3.145 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000422709940 279082722 /nfs/dbraw/zinc/08/27/22/279082722.db2.gz ZYGINDKFKBYSBM-OBJOEFQTSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423029721 279367889 /nfs/dbraw/zinc/36/78/89/279367889.db2.gz VFFLBZJWIZADPU-TWMKSMIVSA-N 1 3 296.499 3.481 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414825968 279378649 /nfs/dbraw/zinc/37/86/49/279378649.db2.gz UWRBGQOVNSOVIZ-IPYPFGDCSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423228348 279399888 /nfs/dbraw/zinc/39/98/88/279399888.db2.gz ZFNFXXQLSKAJQY-OUJBWJOFSA-N 1 3 297.240 3.324 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422847211 279636547 /nfs/dbraw/zinc/63/65/47/279636547.db2.gz HSBHHPJKSSZNRT-RFGFWPKPSA-N 1 3 292.389 3.462 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393133 280012513 /nfs/dbraw/zinc/01/25/13/280012513.db2.gz IAUWAJQRCDQRFA-JJRVBVJISA-N 1 3 272.436 3.481 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393133 280012516 /nfs/dbraw/zinc/01/25/16/280012516.db2.gz IAUWAJQRCDQRFA-JJRVBVJISA-N 1 3 272.436 3.481 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000423476510 280166767 /nfs/dbraw/zinc/16/67/67/280166767.db2.gz SOGPYDWUIBUDIE-CHWSQXEVSA-N 1 3 297.240 3.072 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)CN1CCCCC1 ZINC000529532844 288258941 /nfs/dbraw/zinc/25/89/41/288258941.db2.gz PLXIFKFVPXRSPI-OLZOCXBDSA-N 1 3 274.399 3.132 20 0 CGADHO CC(CN1CCCCCC1)C[NH+]1CCCCCC1 ZINC000510261336 280810451 /nfs/dbraw/zinc/81/04/51/280810451.db2.gz OVOVNKNHTHORLW-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO CC1(C)CC([NH2+]C[C@@H]2CCCNC2)CC(C)(C)C1 ZINC000125448571 280912924 /nfs/dbraw/zinc/91/29/24/280912924.db2.gz VOQMPLQOZLFRJG-CYBMUJFWSA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000516258512 281008852 /nfs/dbraw/zinc/00/88/52/281008852.db2.gz ABUCCNMOKSAKPD-ZIAGYGMSSA-N 1 3 252.446 3.181 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178474 288295236 /nfs/dbraw/zinc/29/52/36/288295236.db2.gz LNGVTMKWDUSMNW-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530178474 288295240 /nfs/dbraw/zinc/29/52/40/288295240.db2.gz LNGVTMKWDUSMNW-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179787 288296242 /nfs/dbraw/zinc/29/62/42/288296242.db2.gz XHUKNBVQFVSCLB-OFQRWUPVSA-N 1 3 258.409 3.053 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000532187437 288353855 /nfs/dbraw/zinc/35/38/55/288353855.db2.gz KTDFLQUCZZCSKK-IJEWVQPXSA-N 1 3 252.446 3.418 20 0 CGADHO CCc1ccc(CN2CCC(C[NH+](C)C)CC2)s1 ZINC000535067576 288437893 /nfs/dbraw/zinc/43/78/93/288437893.db2.gz OWLZWYAMRMGTGG-UHFFFAOYSA-N 1 3 266.454 3.084 20 0 CGADHO C[C@@H]1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@@H](C)O1 ZINC000414256334 288510869 /nfs/dbraw/zinc/51/08/69/288510869.db2.gz COEIANRUIDVGOX-OAGGEKHMSA-N 1 3 294.483 3.187 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000549550367 289046455 /nfs/dbraw/zinc/04/64/55/289046455.db2.gz GZBCSFFYIAJYDP-QMJOVRGKSA-N 1 3 272.436 3.410 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000549550367 289046457 /nfs/dbraw/zinc/04/64/57/289046457.db2.gz GZBCSFFYIAJYDP-QMJOVRGKSA-N 1 3 272.436 3.410 20 0 CGADHO CC(C)C(C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000551537024 289121065 /nfs/dbraw/zinc/12/10/65/289121065.db2.gz YTUHKOLCETXNTJ-IAGOWNOFSA-N 1 3 298.515 3.394 20 0 CGADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000552235471 289173698 /nfs/dbraw/zinc/17/36/98/289173698.db2.gz IPNSSTNUWWSWHV-QXAKKESOSA-N 1 3 284.447 3.429 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000554072325 289255164 /nfs/dbraw/zinc/25/51/64/289255164.db2.gz RGBIBVKCUDDMJF-CZUORRHYSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879657 289316662 /nfs/dbraw/zinc/31/66/62/289316662.db2.gz ZDISNQOMXNYFPJ-VQIMIIECSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879657 289316665 /nfs/dbraw/zinc/31/66/65/289316665.db2.gz ZDISNQOMXNYFPJ-VQIMIIECSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000560244705 289578992 /nfs/dbraw/zinc/57/89/92/289578992.db2.gz DJQNPMUWKVZXRS-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC12CCC2)N1CCCCC1 ZINC000337364032 298439994 /nfs/dbraw/zinc/43/99/94/298439994.db2.gz ANEDZRYGQDJVGI-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422900844 302094299 /nfs/dbraw/zinc/09/42/99/302094299.db2.gz KAGAWKLPQDJSQA-DOTOQJQBSA-N 1 3 272.436 3.004 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422900844 302094303 /nfs/dbraw/zinc/09/43/03/302094303.db2.gz KAGAWKLPQDJSQA-DOTOQJQBSA-N 1 3 272.436 3.004 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CC1 ZINC000425932117 302100911 /nfs/dbraw/zinc/10/09/11/302100911.db2.gz ORJHJGQPDMQGQL-KBXCAEBGSA-N 1 3 274.452 3.103 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423205782 302312670 /nfs/dbraw/zinc/31/26/70/302312670.db2.gz BKWOKMAYEHXNAT-FRRDWIJNSA-N 1 3 252.427 3.095 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423205782 302312672 /nfs/dbraw/zinc/31/26/72/302312672.db2.gz BKWOKMAYEHXNAT-FRRDWIJNSA-N 1 3 252.427 3.095 20 0 CGADHO Cc1ccccc1C[C@@H](C)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000564097926 322020437 /nfs/dbraw/zinc/02/04/37/322020437.db2.gz FSBFDBXJNTZKHH-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccccc1C[C@@H](C)N(C)CC[C@H]1CCC[N@H+]1C ZINC000564097926 322020438 /nfs/dbraw/zinc/02/04/38/322020438.db2.gz FSBFDBXJNTZKHH-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO COc1cccc2c1CCC[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC000564200490 322022773 /nfs/dbraw/zinc/02/27/73/322022773.db2.gz DBQJTTRITXYXGC-INIZCTEOSA-N 1 3 288.435 3.324 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000564822934 322044739 /nfs/dbraw/zinc/04/47/39/322044739.db2.gz QKSCAFSWUGLMJA-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000564973566 322052371 /nfs/dbraw/zinc/05/23/71/322052371.db2.gz LSDAUTQGUVAPMG-QZTJIDSGSA-N 1 3 292.442 3.324 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCCc2cccs2)c2ccccc21 ZINC000565534009 322081271 /nfs/dbraw/zinc/08/12/71/322081271.db2.gz UWXQBARDJKEXJV-HZPDHXFCSA-N 1 3 272.417 3.415 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000565742391 322089493 /nfs/dbraw/zinc/08/94/93/322089493.db2.gz BKJQJHFMPDWSKM-NZSAHSFTSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000565742391 322089496 /nfs/dbraw/zinc/08/94/96/322089496.db2.gz BKJQJHFMPDWSKM-NZSAHSFTSA-N 1 3 286.463 3.281 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000566482533 322125836 /nfs/dbraw/zinc/12/58/36/322125836.db2.gz OIJDOQRXKZJSAV-LOWDOPEQSA-N 1 3 278.362 3.215 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000567236005 322155555 /nfs/dbraw/zinc/15/55/55/322155555.db2.gz AODPOLXMIQPPAI-SGTLLEGYSA-N 1 3 284.378 3.308 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(Cl)c2cccnc12 ZINC000567870948 322181009 /nfs/dbraw/zinc/18/10/09/322181009.db2.gz AHZKDCUMPVVCAS-GHMZBOCLSA-N 1 3 277.799 3.104 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000569447645 322247634 /nfs/dbraw/zinc/24/76/34/322247634.db2.gz JXNKLVNQPGXQIW-QAPCUYQASA-N 1 3 274.452 3.330 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570281022 322269535 /nfs/dbraw/zinc/26/95/35/322269535.db2.gz QZUUYONJHMCXJX-BBRMVZONSA-N 1 3 276.399 3.208 20 0 CGADHO C[C@@H](N(C)CC(O)C[N@H+](C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000570910225 322285467 /nfs/dbraw/zinc/28/54/67/322285467.db2.gz DKTIWRCRCJSCLM-ZIAGYGMSSA-N 1 3 286.504 3.080 20 0 CGADHO C[C@@H](N(C)CC(O)C[N@@H+](C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000570910225 322285468 /nfs/dbraw/zinc/28/54/68/322285468.db2.gz DKTIWRCRCJSCLM-ZIAGYGMSSA-N 1 3 286.504 3.080 20 0 CGADHO Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)s1 ZINC000573108111 322371100 /nfs/dbraw/zinc/37/11/00/322371100.db2.gz FITZMHXCAREISK-VCTAVGKDSA-N 1 3 287.432 3.289 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000573693709 322401993 /nfs/dbraw/zinc/40/19/93/322401993.db2.gz BVPRJRKKFQUMSZ-HOCLYGCPSA-N 1 3 252.446 3.182 20 0 CGADHO C(=C\c1ccccc1)\CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000214377413 326915921 /nfs/dbraw/zinc/91/59/21/326915921.db2.gz NYDBRIQLBMMRFS-GNJLHFKMSA-N 1 3 270.420 3.164 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CCCC1 ZINC000395688354 329294419 /nfs/dbraw/zinc/29/44/19/329294419.db2.gz YQEGTUCXWOUDJZ-HOCLYGCPSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc([C@@H](CNc2cc[nH+]cc2C)N(C)C)cc1 ZINC000192539279 335275981 /nfs/dbraw/zinc/27/59/81/335275981.db2.gz VRFSCGORDUEIQP-QGZVFWFLSA-N 1 3 269.392 3.413 20 0 CGADHO Cc1ccc([C@H](CNc2cc[nH+]cc2C)N(C)C)cc1 ZINC000192539295 335275988 /nfs/dbraw/zinc/27/59/88/335275988.db2.gz VRFSCGORDUEIQP-KRWDZBQOSA-N 1 3 269.392 3.413 20 0 CGADHO CSCC1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000385832493 336158028 /nfs/dbraw/zinc/15/80/28/336158028.db2.gz LWLQMFZJVZTNGS-VXGQWTEUSA-N 1 3 270.486 3.028 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000581895141 336162469 /nfs/dbraw/zinc/16/24/69/336162469.db2.gz USCKMORHNZFGJY-CVEARBPZSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000581895141 336162470 /nfs/dbraw/zinc/16/24/70/336162470.db2.gz USCKMORHNZFGJY-CVEARBPZSA-N 1 3 260.425 3.132 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@]3(C)CCCOC3)CC2)C1 ZINC000357841691 533760970 /nfs/dbraw/zinc/76/09/70/533760970.db2.gz RBPQAHWEUIILOJ-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@]3(C)CCCOC3)CC2)C1 ZINC000357841691 533760965 /nfs/dbraw/zinc/76/09/65/533760965.db2.gz RBPQAHWEUIILOJ-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423421480 533850658 /nfs/dbraw/zinc/85/06/58/533850658.db2.gz CEORQCMULGFMES-UKRRQHHQSA-N 1 3 278.444 3.138 20 0 CGADHO COc1cccc2c1CC[C@H]2NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423289143 533874628 /nfs/dbraw/zinc/87/46/28/533874628.db2.gz AKTUKKSJPCNZJF-FZKQIMNGSA-N 1 3 296.414 3.492 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000358452285 534068054 /nfs/dbraw/zinc/06/80/54/534068054.db2.gz PEWSNIMVIXFELH-STQMWFEESA-N 1 3 298.377 3.233 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000358452285 534068060 /nfs/dbraw/zinc/06/80/60/534068060.db2.gz PEWSNIMVIXFELH-STQMWFEESA-N 1 3 298.377 3.233 20 0 CGADHO Cc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423361371 534226030 /nfs/dbraw/zinc/22/60/30/534226030.db2.gz RVOUYQMXBKTTCY-AWEZNQCLSA-N 1 3 266.388 3.449 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1ccccc1Br ZINC000309432664 524454225 /nfs/dbraw/zinc/45/42/25/524454225.db2.gz XWSMPVUTCHFHDI-NSHDSACASA-N 1 3 285.229 3.056 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000414290630 526661885 /nfs/dbraw/zinc/66/18/85/526661885.db2.gz AFJVSVUAIQXDKS-JJXSEGSLSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423286389 527257056 /nfs/dbraw/zinc/25/70/56/527257056.db2.gz GYLDYJUONSXLEO-TZMCWYRMSA-N 1 3 266.816 3.303 20 0 CGADHO C/C=C/COc1ccc(CC[C@H](C)NC[C@@H]([NH3+])CC)cc1 ZINC000423457868 527615052 /nfs/dbraw/zinc/61/50/52/527615052.db2.gz GGHBSNUJZLECOK-DVJJNNKXSA-N 1 3 290.451 3.290 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423232483 527782135 /nfs/dbraw/zinc/78/21/35/527782135.db2.gz MSOLGVDATMVZAO-LSDHHAIUSA-N 1 3 278.440 3.499 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449037715 527835909 /nfs/dbraw/zinc/83/59/09/527835909.db2.gz OJCFSURXGMYGHK-CQSZACIVSA-N 1 3 272.392 3.206 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449037715 527835913 /nfs/dbraw/zinc/83/59/13/527835913.db2.gz OJCFSURXGMYGHK-CQSZACIVSA-N 1 3 272.392 3.206 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000436469063 528061720 /nfs/dbraw/zinc/06/17/20/528061720.db2.gz UYCBGGSGCLPWQM-IAFLDTSXSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000436469063 528061722 /nfs/dbraw/zinc/06/17/22/528061722.db2.gz UYCBGGSGCLPWQM-IAFLDTSXSA-N 1 3 284.447 3.323 20 0 CGADHO CCC[C@H](CN1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427119208 528130773 /nfs/dbraw/zinc/13/07/73/528130773.db2.gz GUWKGIXFWKQRPW-SQNIBIBYSA-N 1 3 272.436 3.254 20 0 CGADHO CCC[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414194610 528220763 /nfs/dbraw/zinc/22/07/63/528220763.db2.gz ULGSQQMIHPCESY-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO CCC[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194610 528220768 /nfs/dbraw/zinc/22/07/68/528220768.db2.gz ULGSQQMIHPCESY-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)[C@@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000414855703 528463207 /nfs/dbraw/zinc/46/32/07/528463207.db2.gz NJBPZKMBMQEWHT-DOTOQJQBSA-N 1 3 260.425 3.015 20 0 CGADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423346379 528474339 /nfs/dbraw/zinc/47/43/39/528474339.db2.gz OVJFJCKEXPABJP-GFCCVEGCSA-N 1 3 294.826 3.309 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1cccs1 ZINC000423399090 528574192 /nfs/dbraw/zinc/57/41/92/528574192.db2.gz PJOMBMGGVXDFHH-RDBSUJKOSA-N 1 3 266.454 3.423 20 0 CGADHO CC(C)C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccs1 ZINC000423399090 528574197 /nfs/dbraw/zinc/57/41/97/528574197.db2.gz PJOMBMGGVXDFHH-RDBSUJKOSA-N 1 3 266.454 3.423 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423396372 528629847 /nfs/dbraw/zinc/62/98/47/528629847.db2.gz NTMWOOJVASOWAF-GRDNDAEWSA-N 1 3 260.425 3.288 20 0 CGADHO CCCCOc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1OC ZINC000423224979 528689032 /nfs/dbraw/zinc/68/90/32/528689032.db2.gz KUZVSLMUCCMYSZ-UONOGXRCSA-N 1 3 294.439 3.262 20 0 CGADHO CCOCCN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411443852 528714253 /nfs/dbraw/zinc/71/42/53/528714253.db2.gz MMVGYAGERWLYHM-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO CC(C)[N@H+](CCCN1CCCCC1)Cc1cccnc1 ZINC000162113249 528879516 /nfs/dbraw/zinc/87/95/16/528879516.db2.gz BJWIJFFFWZSYLF-UHFFFAOYSA-N 1 3 275.440 3.168 20 0 CGADHO CC(C)[N@@H+](CCCN1CCCCC1)Cc1cccnc1 ZINC000162113249 528879518 /nfs/dbraw/zinc/87/95/18/528879518.db2.gz BJWIJFFFWZSYLF-UHFFFAOYSA-N 1 3 275.440 3.168 20 0 CGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN ZINC000423302315 528987855 /nfs/dbraw/zinc/98/78/55/528987855.db2.gz VLMDUFDOFYDAKR-CJNGLKHVSA-N 1 3 282.859 3.482 20 0 CGADHO CCC[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CCC1 ZINC000423404786 529014455 /nfs/dbraw/zinc/01/44/55/529014455.db2.gz XRSPVOWGSYUVGN-QGZVFWFLSA-N 1 3 258.409 3.348 20 0 CGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc(OC)c(OC)c1 ZINC000423290123 529156194 /nfs/dbraw/zinc/15/61/94/529156194.db2.gz ZBCNRIZBTNIEFG-CQSZACIVSA-N 1 3 294.439 3.262 20 0 CGADHO CCc1cccc(Cl)c1CN[C@@H](C)CCC[NH3+] ZINC000415021854 529172673 /nfs/dbraw/zinc/17/26/73/529172673.db2.gz KZHPTYPGFUUMOL-NSHDSACASA-N 1 3 254.805 3.119 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423448994 529204337 /nfs/dbraw/zinc/20/43/37/529204337.db2.gz VSQWTNBFIPQMNO-USXIJHARSA-N 1 3 276.399 3.255 20 0 CGADHO CCSc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423299679 529247695 /nfs/dbraw/zinc/24/76/95/529247695.db2.gz QKKVEXCZVUTQTE-RYUDHWBXSA-N 1 3 252.427 3.044 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423449560 529247777 /nfs/dbraw/zinc/24/77/77/529247777.db2.gz RUWORVHDVQKAED-SRVKXCTJSA-N 1 3 252.427 3.185 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423386628 529315840 /nfs/dbraw/zinc/31/58/40/529315840.db2.gz MCEYPEHQHSBFSV-DYVFJYSZSA-N 1 3 258.409 3.348 20 0 CGADHO CC1(C)CC(C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000516956080 535286256 /nfs/dbraw/zinc/28/62/56/535286256.db2.gz QPUAXLDQGLWQOH-UHFFFAOYSA-N 1 3 273.424 3.076 20 0 CGADHO CCC[C@@H](C[N@H+](C)C1CCNCC1)c1ccccc1 ZINC000469988245 535341523 /nfs/dbraw/zinc/34/15/23/535341523.db2.gz AYOZHHLSSSWJEC-INIZCTEOSA-N 1 3 260.425 3.254 20 0 CGADHO CCC[C@@H](C[N@@H+](C)C1CCNCC1)c1ccccc1 ZINC000469988245 535341528 /nfs/dbraw/zinc/34/15/28/535341528.db2.gz AYOZHHLSSSWJEC-INIZCTEOSA-N 1 3 260.425 3.254 20 0 CGADHO CCC[C@@H](CN(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000469988245 535341530 /nfs/dbraw/zinc/34/15/30/535341530.db2.gz AYOZHHLSSSWJEC-INIZCTEOSA-N 1 3 260.425 3.254 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1c1cccs1 ZINC000245602675 536389639 /nfs/dbraw/zinc/38/96/39/536389639.db2.gz JFLFGCPVNLMBEG-KBPBESRZSA-N 1 3 264.438 3.369 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1c1cccs1 ZINC000245602675 536389640 /nfs/dbraw/zinc/38/96/40/536389640.db2.gz JFLFGCPVNLMBEG-KBPBESRZSA-N 1 3 264.438 3.369 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000512988602 536638591 /nfs/dbraw/zinc/63/85/91/536638591.db2.gz XRZQLRLYZQSYED-BPQIPLTHSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000512988602 536638598 /nfs/dbraw/zinc/63/85/98/536638598.db2.gz XRZQLRLYZQSYED-BPQIPLTHSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCCO)C1 ZINC000175772591 617773020 /nfs/dbraw/zinc/77/30/20/617773020.db2.gz YWBBWQSXGMDZLV-ZWKOTPCHSA-N 1 3 296.499 3.126 20 0 CGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCCO)C1 ZINC000175772591 617773032 /nfs/dbraw/zinc/77/30/32/617773032.db2.gz YWBBWQSXGMDZLV-ZWKOTPCHSA-N 1 3 296.499 3.126 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050245248 618083719 /nfs/dbraw/zinc/08/37/19/618083719.db2.gz AMAIWTOWBCUQJB-INIZCTEOSA-N 1 3 266.388 3.134 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000044515546 618614985 /nfs/dbraw/zinc/61/49/85/618614985.db2.gz YXNNPZCEATZWTM-LBPRGKRZSA-N 1 3 289.448 3.289 20 0 CGADHO CSC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCCCC1 ZINC000235088461 618650078 /nfs/dbraw/zinc/65/00/78/618650078.db2.gz KIDYQUIFLAFHPD-UONOGXRCSA-N 1 3 270.486 3.159 20 0 CGADHO CC[C@H](C)[C@H](CNC1CC[NH+](CCC(C)C)CC1)OC ZINC000926502152 618713147 /nfs/dbraw/zinc/71/31/47/618713147.db2.gz CXXDGOSKFCEMHN-RDJZCZTQSA-N 1 3 284.488 3.148 20 0 CGADHO CCC(CC)c1cc(CNCC2CC[NH+](C)CC2)on1 ZINC000893064188 618987271 /nfs/dbraw/zinc/98/72/71/618987271.db2.gz NIZSGLMDJOWZAU-UHFFFAOYSA-N 1 3 279.428 3.010 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925655217 619111862 /nfs/dbraw/zinc/11/18/62/619111862.db2.gz RDMCDOURJLRISO-OTRWWLKZSA-N 1 3 270.420 3.101 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC2CC(c3cccc(Cl)c3)C2)C12CCC2 ZINC000925663697 619117913 /nfs/dbraw/zinc/11/79/13/619117913.db2.gz WXRJRXVTSNWHJK-AHNOJICISA-N 1 3 290.838 3.446 20 0 CGADHO Cc1ccc(C2(CN[C@H]3C[C@H]([NH3+])C34CCC4)CC2)c(C)c1 ZINC000925677686 619126948 /nfs/dbraw/zinc/12/69/48/619126948.db2.gz AAAZCPHSLSLWMT-IRXDYDNUSA-N 1 3 284.447 3.195 20 0 CGADHO CC[C@H](OCCN[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925714379 619160191 /nfs/dbraw/zinc/16/01/91/619160191.db2.gz XYWAYFVZADRCHS-BBWFWOEESA-N 1 3 288.435 3.014 20 0 CGADHO C(C[C@@H]1CCCS1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925722522 619171903 /nfs/dbraw/zinc/17/19/03/619171903.db2.gz LRPUPWZGCSVEGM-HRCADAONSA-N 1 3 282.497 3.030 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(F)c1 ZINC000925775335 619238025 /nfs/dbraw/zinc/23/80/25/619238025.db2.gz FTXMVISAZSIYEO-TZMCWYRMSA-N 1 3 286.341 3.111 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925779724 619242205 /nfs/dbraw/zinc/24/22/05/619242205.db2.gz PDQZJTOETWJYTL-JQWIXIFHSA-N 1 3 288.769 3.235 20 0 CGADHO CC[C@@H](N[C@@H](C)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000925780173 619242753 /nfs/dbraw/zinc/24/27/53/619242753.db2.gz SAYONKKGTOVIHP-SCLBCKFNSA-N 1 3 268.404 3.488 20 0 CGADHO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000925829250 619282062 /nfs/dbraw/zinc/28/20/62/619282062.db2.gz NNUIBKMFNWFWCJ-OFQRWUPVSA-N 1 3 276.424 3.042 20 0 CGADHO CC(C)[C@@H]([NH2+]CC(C)(C)N)c1ccc(Cl)cc1 ZINC000261562956 619289008 /nfs/dbraw/zinc/28/90/08/619289008.db2.gz WTTUCOMUXJEFFZ-CYBMUJFWSA-N 1 3 254.805 3.364 20 0 CGADHO Cc1ccc(F)cc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261623464 619293929 /nfs/dbraw/zinc/29/39/29/619293929.db2.gz CFFDOBYSTKWESA-MJGOQNOKSA-N 1 3 298.405 3.308 20 0 CGADHO CC[C@H](C)N(Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767638 619403616 /nfs/dbraw/zinc/40/36/16/619403616.db2.gz MBNSNYLIXQZOSE-DOTOQJQBSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000894456807 619543867 /nfs/dbraw/zinc/54/38/67/619543867.db2.gz REVJVYYABYTSCV-DOTOQJQBSA-N 1 3 272.436 3.036 20 0 CGADHO C[NH+](C)C1CCC([NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC000894979236 619690539 /nfs/dbraw/zinc/69/05/39/619690539.db2.gz TVBQTNICGMHJDS-UHFFFAOYSA-N 1 3 282.815 3.008 20 0 CGADHO C[C@@H](CC[NH2+]Cc1cc(Cl)cc2cccnc21)N(C)C ZINC000895298455 619799056 /nfs/dbraw/zinc/79/90/56/619799056.db2.gz WLVVINNVENKXEF-LBPRGKRZSA-N 1 3 291.826 3.318 20 0 CGADHO Cc1nc(C)c(C[N@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)s1 ZINC000895379971 619817117 /nfs/dbraw/zinc/81/71/17/619817117.db2.gz WTPLAIILQOCKJG-WFASDCNBSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)CN(C)C)s1 ZINC000895379971 619817122 /nfs/dbraw/zinc/81/71/22/619817122.db2.gz WTPLAIILQOCKJG-WFASDCNBSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1nc(C)c(C[N@H+]2CCCC[C@H]2[C@H](C)CN(C)C)s1 ZINC000895379960 619817203 /nfs/dbraw/zinc/81/72/03/619817203.db2.gz WTPLAIILQOCKJG-DOMZBBRYSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2[C@H](C)CN(C)C)s1 ZINC000895379960 619817205 /nfs/dbraw/zinc/81/72/05/619817205.db2.gz WTPLAIILQOCKJG-DOMZBBRYSA-N 1 3 295.496 3.312 20 0 CGADHO CC(C)Oc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1 ZINC000841032023 620409115 /nfs/dbraw/zinc/40/91/15/620409115.db2.gz GTMXAMGYWWGCMX-UHFFFAOYSA-N 1 3 298.430 3.265 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898322603 620506253 /nfs/dbraw/zinc/50/62/53/620506253.db2.gz NZDYQWGDUSEPPG-KRWDZBQOSA-N 1 3 287.451 3.385 20 0 CGADHO CC[N@H+](C)Cc1cccc(CNCc2ccccc2NC)c1 ZINC000902195465 621190144 /nfs/dbraw/zinc/19/01/44/621190144.db2.gz LDOXOJWYWRCUOU-UHFFFAOYSA-N 1 3 297.446 3.470 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CNCc2ccccc2NC)c1 ZINC000902195465 621190156 /nfs/dbraw/zinc/19/01/56/621190156.db2.gz LDOXOJWYWRCUOU-UHFFFAOYSA-N 1 3 297.446 3.470 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452851 621330960 /nfs/dbraw/zinc/33/09/60/621330960.db2.gz MRGPIQNQGGETCY-ZPUIDXCVSA-N 1 3 294.389 3.460 20 0 CGADHO FC(F)(F)C1CCC(NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902482410 621353171 /nfs/dbraw/zinc/35/31/71/621353171.db2.gz KXDUCOANQOASIG-BPCQOVAHSA-N 1 3 278.362 3.229 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)sc1Cl ZINC000902486594 621354753 /nfs/dbraw/zinc/35/47/53/621354753.db2.gz ANZQUIOTMZPFSS-BWZBUEFSSA-N 1 3 279.236 3.443 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCCO1 ZINC000903196799 621621737 /nfs/dbraw/zinc/62/17/37/621621737.db2.gz RNPIQUKSFBETCU-HMGCCCKFSA-N 1 3 292.467 3.082 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCCO1 ZINC000903196799 621621738 /nfs/dbraw/zinc/62/17/38/621621738.db2.gz RNPIQUKSFBETCU-HMGCCCKFSA-N 1 3 292.467 3.082 20 0 CGADHO C[C@@H](NC/C=C\Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000903443376 621754235 /nfs/dbraw/zinc/75/42/35/621754235.db2.gz GXDQCIYKFBDQOK-DMTLFAOVSA-N 1 3 282.815 3.030 20 0 CGADHO c1cc([C@@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)cs1 ZINC000903724891 621796673 /nfs/dbraw/zinc/79/66/73/621796673.db2.gz RZODRGPPKINFMF-HIFRSBDPSA-N 1 3 264.438 3.275 20 0 CGADHO c1ccc(C2(NCc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000903896957 621829376 /nfs/dbraw/zinc/82/93/76/621829376.db2.gz BVYGMXUEUIOCSG-UHFFFAOYSA-N 1 3 278.399 3.111 20 0 CGADHO Cc1ccsc1CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959457 621836899 /nfs/dbraw/zinc/83/68/99/621836899.db2.gz IIIIUDBJOQOYJB-OAHLLOKOSA-N 1 3 264.438 3.022 20 0 CGADHO c1cc2cc(CN3CCCC[C@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000903959566 621837159 /nfs/dbraw/zinc/83/71/59/621837159.db2.gz JVWOWFFYKJHELI-LJQANCHMSA-N 1 3 295.430 3.200 20 0 CGADHO C[C@@H](CCC1CCCC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972422 621843893 /nfs/dbraw/zinc/84/38/93/621843893.db2.gz IIQMQANSAFPBCA-RDJZCZTQSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@]1(CN2CCCCC[C@@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301197 621902184 /nfs/dbraw/zinc/90/21/84/621902184.db2.gz AWAXKYLMWSEHRS-QZTJIDSGSA-N 1 3 287.451 3.388 20 0 CGADHO C[C@@]1(CN2CCC[C@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303821 621902244 /nfs/dbraw/zinc/90/22/44/621902244.db2.gz IKQUAQXRVAAHEN-DZGCQCFKSA-N 1 3 264.438 3.275 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342220 621909928 /nfs/dbraw/zinc/90/99/28/621909928.db2.gz ZULRIRNOMKPEQQ-DLBZAZTESA-N 1 3 289.467 3.100 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000904342220 621909932 /nfs/dbraw/zinc/90/99/32/621909932.db2.gz ZULRIRNOMKPEQQ-DLBZAZTESA-N 1 3 289.467 3.100 20 0 CGADHO CC(C)(C)[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1 ZINC000043326752 622266809 /nfs/dbraw/zinc/26/68/09/622266809.db2.gz CKIYIQPHLJQCTK-CABCVRRESA-N 1 3 264.388 3.255 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637818 623490588 /nfs/dbraw/zinc/49/05/88/623490588.db2.gz QBZCUZQXJHRVRU-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637818 623490591 /nfs/dbraw/zinc/49/05/91/623490591.db2.gz QBZCUZQXJHRVRU-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNCCc2ccccc2)C1 ZINC000915677865 624020003 /nfs/dbraw/zinc/02/00/03/624020003.db2.gz BMOIAFGHCTVVJY-IAGOWNOFSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N(C)CC1CC[NH+](C)CC1 ZINC000154792110 624369053 /nfs/dbraw/zinc/36/90/53/624369053.db2.gz ZAXSUINBFBGSKW-GFCCVEGCSA-N 1 3 282.378 3.299 20 0 CGADHO Cc1coc(CNC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000922502264 626009990 /nfs/dbraw/zinc/00/99/90/626009990.db2.gz CNTBXECSCSEDJN-UHFFFAOYSA-N 1 3 276.424 3.475 20 0 CGADHO C[C@H]1C[C@H](c2ccccc2)CN1CCC[NH2+]C1CC1 ZINC000923316201 626144735 /nfs/dbraw/zinc/14/47/35/626144735.db2.gz NJAKNSAPIQPOJB-HOCLYGCPSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCNC1CC1 ZINC000923316201 626144738 /nfs/dbraw/zinc/14/47/38/626144738.db2.gz NJAKNSAPIQPOJB-HOCLYGCPSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCNC1CC1 ZINC000923316201 626144744 /nfs/dbraw/zinc/14/47/44/626144744.db2.gz NJAKNSAPIQPOJB-HOCLYGCPSA-N 1 3 258.409 3.007 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000766478380 627335735 /nfs/dbraw/zinc/33/57/35/627335735.db2.gz IZVJIGOYPGMMFE-NUJGCVRESA-N 1 3 272.436 3.445 20 0 CGADHO CC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000773035995 627845130 /nfs/dbraw/zinc/84/51/30/627845130.db2.gz CHLHFXNCYAXOIW-UHFFFAOYSA-N 1 3 264.457 3.421 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780291311 628478499 /nfs/dbraw/zinc/47/84/99/628478499.db2.gz ANKSMEVAMPWAOF-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780291311 628478501 /nfs/dbraw/zinc/47/85/01/628478501.db2.gz ANKSMEVAMPWAOF-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780291311 628478505 /nfs/dbraw/zinc/47/85/05/628478505.db2.gz ANKSMEVAMPWAOF-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO C[C@@H](C1CC1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000782180997 628620323 /nfs/dbraw/zinc/62/03/23/628620323.db2.gz NSWPFBZXQZHXLZ-PMPSAXMXSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H](C1CC1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000782180997 628620324 /nfs/dbraw/zinc/62/03/24/628620324.db2.gz NSWPFBZXQZHXLZ-PMPSAXMXSA-N 1 3 264.457 3.371 20 0 CGADHO CCc1ncc(CN2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000798957459 630128152 /nfs/dbraw/zinc/12/81/52/630128152.db2.gz XTLBTYPQMDHBSA-UHFFFAOYSA-N 1 3 293.480 3.013 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(SC(F)F)cc1)CN(C)C ZINC000813786031 631461312 /nfs/dbraw/zinc/46/13/12/631461312.db2.gz JQHQQTZGVGEPAM-LLVKDONJSA-N 1 3 288.407 3.289 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902778 632233253 /nfs/dbraw/zinc/23/32/53/632233253.db2.gz YAICEXVHJBGDGY-HUUCEWRRSA-N 1 3 287.794 3.012 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902778 632233255 /nfs/dbraw/zinc/23/32/55/632233255.db2.gz YAICEXVHJBGDGY-HUUCEWRRSA-N 1 3 287.794 3.012 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000817947408 632244577 /nfs/dbraw/zinc/24/45/77/632244577.db2.gz NDBKXBHOHYGULD-GFCCVEGCSA-N 1 3 290.357 3.317 20 0 CGADHO [NH3+]CCc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000817950242 632246409 /nfs/dbraw/zinc/24/64/09/632246409.db2.gz WYQOGLRLXBHNLZ-GOSISDBHSA-N 1 3 284.378 3.104 20 0 CGADHO [NH3+]CCc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000817949907 632246884 /nfs/dbraw/zinc/24/68/84/632246884.db2.gz UAIULMAIWZIHSX-SFHVURJKSA-N 1 3 296.414 3.191 20 0 CGADHO COc1c(C)cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1Cl ZINC000817980631 632271922 /nfs/dbraw/zinc/27/19/22/632271922.db2.gz WEAIBTFTPGYXFN-DCAQKATOSA-N 1 3 270.804 3.043 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)CN1CCCCC1 ZINC000872025819 633946372 /nfs/dbraw/zinc/94/63/72/633946372.db2.gz UHRWWWBUJBTKPG-BRWVUGGUSA-N 1 3 296.499 3.292 20 0 CGADHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc([O-])c2F)CC1 ZINC000872040358 633961776 /nfs/dbraw/zinc/96/17/76/633961776.db2.gz YGPHGNXHTGWXCQ-CYBMUJFWSA-N 1 3 294.414 3.304 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCOC2(CCCC2)C1)N1CCCCC1 ZINC000872062828 633985651 /nfs/dbraw/zinc/98/56/51/633985651.db2.gz QQRNTBHAZDCQFU-SJORKVTESA-N 1 3 294.483 3.332 20 0 CGADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000872087296 634013054 /nfs/dbraw/zinc/01/30/54/634013054.db2.gz IEQBEYMEYDLUJH-QWHCGFSZSA-N 1 3 280.378 3.429 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279715 634099031 /nfs/dbraw/zinc/09/90/31/634099031.db2.gz HGFKFSAVNXJWJL-QGZVFWFLSA-N 1 3 282.472 3.142 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279715 634099039 /nfs/dbraw/zinc/09/90/39/634099039.db2.gz HGFKFSAVNXJWJL-QGZVFWFLSA-N 1 3 282.472 3.142 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211550 634285827 /nfs/dbraw/zinc/28/58/27/634285827.db2.gz BWOITYPCGJCIJF-SMDDNHRTSA-N 1 3 264.438 3.062 20 0 CGADHO C[C@@H](CCCc1cccnc1)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238064 634296485 /nfs/dbraw/zinc/29/64/85/634296485.db2.gz WHNKCSNWWGHZEY-RDJZCZTQSA-N 1 3 289.467 3.161 20 0 CGADHO C[C@H](CCCc1cccnc1)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238066 634297074 /nfs/dbraw/zinc/29/70/74/634297074.db2.gz WHNKCSNWWGHZEY-WBVHZDCISA-N 1 3 289.467 3.161 20 0 CGADHO N[C@H]1C[C@H]([NH2+]C2CC(Nc3ccccc3)C2)c2ccccc21 ZINC000873295303 634323611 /nfs/dbraw/zinc/32/36/11/634323611.db2.gz FEWPVNKUGKBWSV-BURPLHJFSA-N 1 3 293.414 3.364 20 0 CGADHO C[NH+](C)CCCCCCCNCc1nc2ccccc2o1 ZINC000876986818 634944524 /nfs/dbraw/zinc/94/45/24/634944524.db2.gz MDPWLTRFNJXLHG-UHFFFAOYSA-N 1 3 289.423 3.430 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878513060 635537897 /nfs/dbraw/zinc/53/78/97/635537897.db2.gz UEWXJMHJGYDFEW-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878513060 635537913 /nfs/dbraw/zinc/53/79/13/635537913.db2.gz UEWXJMHJGYDFEW-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878513060 635537920 /nfs/dbraw/zinc/53/79/20/635537920.db2.gz UEWXJMHJGYDFEW-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO CCC1(CC)CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000880094066 635911700 /nfs/dbraw/zinc/91/17/00/635911700.db2.gz BCODPSRTHVRQJI-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO CCC1(CC)CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000880094066 635911704 /nfs/dbraw/zinc/91/17/04/635911704.db2.gz BCODPSRTHVRQJI-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883430049 636753577 /nfs/dbraw/zinc/75/35/77/636753577.db2.gz MEFGCRXINVQBTP-BBWFWOEESA-N 1 3 290.451 3.260 20 0 CGADHO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c(C)c1 ZINC000850174498 636974268 /nfs/dbraw/zinc/97/42/68/636974268.db2.gz RHJCDVOMEHMXFR-DLBZAZTESA-N 1 3 290.451 3.356 20 0 CGADHO FC1(F)CCC[C@H]1CCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876213 637715391 /nfs/dbraw/zinc/71/53/91/637715391.db2.gz XMYXDPYFHKLQNK-LSDHHAIUSA-N 1 3 286.410 3.278 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1(Cl)CC1 ZINC000925215232 638476368 /nfs/dbraw/zinc/47/63/68/638476368.db2.gz CUDOTKRXIOVBGY-LBPRGKRZSA-N 1 3 270.848 3.143 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2ccc3ccccc3c2)C12CCC2 ZINC000925599447 638541223 /nfs/dbraw/zinc/54/12/23/638541223.db2.gz AUHWRUPBNCXKHJ-MSOLQXFVSA-N 1 3 280.415 3.242 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925657429 638559278 /nfs/dbraw/zinc/55/92/78/638559278.db2.gz SGWCGFCCFMGMDZ-QEJZJMRPSA-N 1 3 286.410 3.180 20 0 CGADHO C[C@H]([NH3+])[C@@H](NCC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659765 638560615 /nfs/dbraw/zinc/56/06/15/638560615.db2.gz GOOLOIUCNHLKFM-SWLSCSKDSA-N 1 3 282.378 3.490 20 0 CGADHO C1=C(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925682077 638567522 /nfs/dbraw/zinc/56/75/22/638567522.db2.gz ZWWZQHJEVFMSIM-SJORKVTESA-N 1 3 262.441 3.245 20 0 CGADHO C1=C(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925682077 638567530 /nfs/dbraw/zinc/56/75/30/638567530.db2.gz ZWWZQHJEVFMSIM-SJORKVTESA-N 1 3 262.441 3.245 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1(F)F ZINC000925709978 638575581 /nfs/dbraw/zinc/57/55/81/638575581.db2.gz XFILDFOOZGMOSU-IHRRRGAJSA-N 1 3 286.410 3.036 20 0 CGADHO CC(C)(C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000925716556 638577980 /nfs/dbraw/zinc/57/79/80/638577980.db2.gz PCBBDFUDFHDQFO-GRYCIOLGSA-N 1 3 292.389 3.331 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC[C@H]1CCCC12CC2)c1ccccc1 ZINC000925719884 638578761 /nfs/dbraw/zinc/57/87/61/638578761.db2.gz VVBVNCRSJXJEGZ-NUEKZKHPSA-N 1 3 258.409 3.245 20 0 CGADHO CC(C)([NH3+])CCN[C@H]1CCc2c1cccc2Br ZINC000925739991 638591929 /nfs/dbraw/zinc/59/19/29/638591929.db2.gz FUDXYGFXRXYGLR-ZDUSSCGKSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@@H]1CC[C@@H](NCCC(C)(C)[NH3+])c2sccc21 ZINC000925738656 638592132 /nfs/dbraw/zinc/59/21/32/638592132.db2.gz RVBIDFKFYLSSSL-ZYHUDNBSSA-N 1 3 252.427 3.404 20 0 CGADHO C[C@H](NCCCCCC1CC[NH2+]CC1)c1cscn1 ZINC000925806701 638619251 /nfs/dbraw/zinc/61/92/51/638619251.db2.gz GKODKFUCEGRNIB-ZDUSSCGKSA-N 1 3 281.469 3.354 20 0 CGADHO CN1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)CC1(C)C ZINC000858115911 638634975 /nfs/dbraw/zinc/63/49/75/638634975.db2.gz FZANWLQYQPUYBA-CQSZACIVSA-N 1 3 271.408 3.130 20 0 CGADHO CCOC1CC(CC[NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000926258541 638755740 /nfs/dbraw/zinc/75/57/40/638755740.db2.gz HNEREFOZZOQGEJ-UHFFFAOYSA-N 1 3 296.499 3.292 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000926571955 638786981 /nfs/dbraw/zinc/78/69/81/638786981.db2.gz APVJCHQRPYSCHO-DOMZBBRYSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000926571955 638786982 /nfs/dbraw/zinc/78/69/82/638786982.db2.gz APVJCHQRPYSCHO-DOMZBBRYSA-N 1 3 293.842 3.044 20 0 CGADHO Cc1cc(C)nc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000929507270 638929520 /nfs/dbraw/zinc/92/95/20/638929520.db2.gz SVFMWBUOSLMRPN-UHFFFAOYSA-N 1 3 289.467 3.251 20 0 CGADHO Cc1cc(C)nc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000929507270 638929522 /nfs/dbraw/zinc/92/95/22/638929522.db2.gz SVFMWBUOSLMRPN-UHFFFAOYSA-N 1 3 289.467 3.251 20 0 CGADHO c1ccc([C@@]23C[C@@H]2C[N@@H+](CCCN2CCCCC2)C3)cc1 ZINC000931932570 639237254 /nfs/dbraw/zinc/23/72/54/639237254.db2.gz VVYGCKOAIMTZFG-MOPGFXCFSA-N 1 3 284.447 3.136 20 0 CGADHO c1ccc([C@@]23C[C@@H]2C[N@H+](CCCN2CCCCC2)C3)cc1 ZINC000931932570 639237259 /nfs/dbraw/zinc/23/72/59/639237259.db2.gz VVYGCKOAIMTZFG-MOPGFXCFSA-N 1 3 284.447 3.136 20 0 CGADHO c1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)cc(C2CC2)n1 ZINC001159366041 806087425 /nfs/dbraw/zinc/08/74/25/806087425.db2.gz RUZCRNRDPZNAKE-UHFFFAOYSA-N 1 3 294.402 3.112 20 0 CGADHO Cc1cnccc1Nc1cnccc1[C@@H]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001159383522 806093256 /nfs/dbraw/zinc/09/32/56/806093256.db2.gz JDBKCLHGMFELDM-YUELXQCFSA-N 1 3 296.418 3.181 20 0 CGADHO C(C1CC1)N1CCC2(C[NH+](C3CCC4(CC4)CC3)C2)C1 ZINC001254442349 806400538 /nfs/dbraw/zinc/40/05/38/806400538.db2.gz FEAUAXGIMYNKOE-UHFFFAOYSA-N 1 3 274.452 3.127 20 0 CGADHO CCCN1C[C@H]2C[NH+](C3CCc4ccccc4CC3)C[C@@H]2C1 ZINC001254462383 806411496 /nfs/dbraw/zinc/41/14/96/806411496.db2.gz AJFNDNWCSNQYQU-OALUTQOASA-N 1 3 298.474 3.208 20 0 CGADHO CCN(CC)Cc1cccc(NCCCC[NH+](C)C)c1F ZINC001161736685 806440504 /nfs/dbraw/zinc/44/05/04/806440504.db2.gz QZRIJNMPGUHFJT-UHFFFAOYSA-N 1 3 295.446 3.421 20 0 CGADHO CN1CCC[C@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001254528038 806443566 /nfs/dbraw/zinc/44/35/66/806443566.db2.gz BUKJSTHWEFJAAQ-GJZGRUSLSA-N 1 3 268.420 3.075 20 0 CGADHO CCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001255317864 806609175 /nfs/dbraw/zinc/60/91/75/806609175.db2.gz TYJXPPOAOQAWMI-MRXNPFEDSA-N 1 3 289.467 3.462 20 0 CGADHO C[C@H]1CCCN(Cc2cncc3ccccc32)[C@H]1CC[NH3+] ZINC000404293536 799575432 /nfs/dbraw/zinc/57/54/32/799575432.db2.gz WFCKXLREELQQFO-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO c1c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)sc2c1CNCC2 ZINC000687969979 799742825 /nfs/dbraw/zinc/74/28/25/799742825.db2.gz ZVLMDYCUPKBXGM-WFASDCNBSA-N 1 3 276.449 3.158 20 0 CGADHO c1c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)sc2c1CNCC2 ZINC000687969979 799742828 /nfs/dbraw/zinc/74/28/28/799742828.db2.gz ZVLMDYCUPKBXGM-WFASDCNBSA-N 1 3 276.449 3.158 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC(C)(C)C2)CC(C)(C)C1 ZINC000708331066 799985030 /nfs/dbraw/zinc/98/50/30/799985030.db2.gz SSTQRWRGHRGHRW-HZSPNIEDSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]1C[N@@H+](C2CCC(c3ccccc3)CC2)C[C@H]1CN ZINC000708852576 799997408 /nfs/dbraw/zinc/99/74/08/799997408.db2.gz JMTQIDUWLYHUHH-FQXVJMBOSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@H+](C2CCC(c3ccccc3)CC2)C[C@H]1CN ZINC000708852576 799997413 /nfs/dbraw/zinc/99/74/13/799997413.db2.gz JMTQIDUWLYHUHH-FQXVJMBOSA-N 1 3 272.436 3.239 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOc1cccc(F)c1 ZINC001255950525 806795886 /nfs/dbraw/zinc/79/58/86/806795886.db2.gz IXWPLZDDALHUQB-OAHLLOKOSA-N 1 3 296.430 3.305 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)[C@H]1CCN ZINC000709756508 800016777 /nfs/dbraw/zinc/01/67/77/800016777.db2.gz UZIHMCIWONSPBU-KFWWJZLASA-N 1 3 282.472 3.029 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)[C@H]1CCN ZINC000709756508 800016785 /nfs/dbraw/zinc/01/67/85/800016785.db2.gz UZIHMCIWONSPBU-KFWWJZLASA-N 1 3 282.472 3.029 20 0 CGADHO CCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709808067 800018743 /nfs/dbraw/zinc/01/87/43/800018743.db2.gz JUAZHHVRDWYREP-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709808067 800018750 /nfs/dbraw/zinc/01/87/50/800018750.db2.gz JUAZHHVRDWYREP-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709806490 800019173 /nfs/dbraw/zinc/01/91/73/800019173.db2.gz DJELYGMQCQJXRV-JYJNAYRXSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709806490 800019180 /nfs/dbraw/zinc/01/91/80/800019180.db2.gz DJELYGMQCQJXRV-JYJNAYRXSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001255953483 806796920 /nfs/dbraw/zinc/79/69/20/806796920.db2.gz RPQJFGPZJKCUET-JKSUJKDBSA-N 1 3 292.467 3.336 20 0 CGADHO COc1ccc(Cl)cc1CN(C)CCCCCC[NH3+] ZINC000710836245 800039887 /nfs/dbraw/zinc/03/98/87/800039887.db2.gz GPJMLLKTWRQUBM-UHFFFAOYSA-N 1 3 284.831 3.300 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N(C)CCCCCC[NH3+] ZINC000710831233 800040793 /nfs/dbraw/zinc/04/07/93/800040793.db2.gz VKNAKRPHBXBZNK-GFCCVEGCSA-N 1 3 270.367 3.477 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@](C)(F)CC1 ZINC001255957192 806798526 /nfs/dbraw/zinc/79/85/26/806798526.db2.gz PDGRQYIHGJDRKH-LSDHHAIUSA-N 1 3 258.425 3.321 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@](C)(F)CC1 ZINC001255957192 806798530 /nfs/dbraw/zinc/79/85/30/806798530.db2.gz PDGRQYIHGJDRKH-LSDHHAIUSA-N 1 3 258.425 3.321 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N1CCC[C@@](C)(F)CC1 ZINC001255957192 806798532 /nfs/dbraw/zinc/79/85/32/806798532.db2.gz PDGRQYIHGJDRKH-LSDHHAIUSA-N 1 3 258.425 3.321 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000715253390 800132215 /nfs/dbraw/zinc/13/22/15/800132215.db2.gz BONJWNHSRIRUQE-SOUVJXGZSA-N 1 3 250.430 3.172 20 0 CGADHO C1=C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716719423 800178212 /nfs/dbraw/zinc/17/82/12/800178212.db2.gz SOWCOQNXKYZDFU-MANSERQUSA-N 1 3 282.431 3.348 20 0 CGADHO CC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC(F)(F)C1 ZINC000720994860 800275227 /nfs/dbraw/zinc/27/52/27/800275227.db2.gz KPVLSKXAPBMEDZ-QWHCGFSZSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@H](N)c1ccn([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256525872 806909881 /nfs/dbraw/zinc/90/98/81/806909881.db2.gz GHFDYMRZBVHACA-HLLBOEOZSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1ccn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256525872 806909885 /nfs/dbraw/zinc/90/98/85/806909885.db2.gz GHFDYMRZBVHACA-HLLBOEOZSA-N 1 3 298.434 3.128 20 0 CGADHO CC[C@H](C)C[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682767 806947328 /nfs/dbraw/zinc/94/73/28/806947328.db2.gz PUDQMMHMJGFIKA-JUVOFCAFSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[N@H+]([C@@H](C)CC)C1CCC(N2CCOCC2)CC1 ZINC001256689297 806948952 /nfs/dbraw/zinc/94/89/52/806948952.db2.gz TWWKYNLNAGTPEX-GTPINHCMSA-N 1 3 282.472 3.140 20 0 CGADHO CCC[N@@H+]([C@@H](C)CC)C1CCC(N2CCOCC2)CC1 ZINC001256689297 806948955 /nfs/dbraw/zinc/94/89/55/806948955.db2.gz TWWKYNLNAGTPEX-GTPINHCMSA-N 1 3 282.472 3.140 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC001116289708 802326328 /nfs/dbraw/zinc/32/63/28/802326328.db2.gz ZFGNRJGTFOWKFJ-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC001116289706 802327012 /nfs/dbraw/zinc/32/70/12/802327012.db2.gz ZFGNRJGTFOWKFJ-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c(F)cccc3F)C[C@H]2C1 ZINC001119988972 802721719 /nfs/dbraw/zinc/72/17/19/802721719.db2.gz MMAOCYYYJKGCNF-MGPQQGTHSA-N 1 3 294.389 3.127 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2ccc(C(F)F)cc2)CC1 ZINC001205280592 812928787 /nfs/dbraw/zinc/92/87/87/812928787.db2.gz DANKEHYSOXCRKC-OAHLLOKOSA-N 1 3 268.351 3.328 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246074315 804111908 /nfs/dbraw/zinc/11/19/08/804111908.db2.gz CPTQPAQJTGNBOW-BLLLJJGKSA-N 1 3 298.833 3.388 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246074802 804113871 /nfs/dbraw/zinc/11/38/71/804113871.db2.gz QQVDCHDFKQLBHQ-CVEARBPZSA-N 1 3 278.415 3.269 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246075451 804114431 /nfs/dbraw/zinc/11/44/31/804114431.db2.gz UCZULXHOLMSPSK-DLBZAZTESA-N 1 3 278.415 3.269 20 0 CGADHO CC[C@@H]1CC(NCCc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246094064 804126922 /nfs/dbraw/zinc/12/69/22/804126922.db2.gz FKZASKWGKCORAG-HZPDHXFCSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@@H]1CCC[NH2+][C@@H]1C ZINC001246114809 804146779 /nfs/dbraw/zinc/14/67/79/804146779.db2.gz XSSQPVKIZINBJP-MCIONIFRSA-N 1 3 296.455 3.284 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@H]1C[NH2+]CC[C@H]1C ZINC001246118017 804149697 /nfs/dbraw/zinc/14/96/97/804149697.db2.gz DUBMDOVRQUFBSH-JHJVBQTASA-N 1 3 298.833 3.245 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246118512 804151524 /nfs/dbraw/zinc/15/15/24/804151524.db2.gz ZYPNXCGCVGFWOX-BARDWOONSA-N 1 3 252.446 3.321 20 0 CGADHO CCCCCC(CCCCC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246132409 804157751 /nfs/dbraw/zinc/15/77/51/804157751.db2.gz COOFFNPYJAFGTK-HOCLYGCPSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246142181 804165338 /nfs/dbraw/zinc/16/53/38/804165338.db2.gz FEMNLPFBPVWBNQ-TVFCKZIOSA-N 1 3 296.499 3.196 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCNC1 ZINC001246150247 804169776 /nfs/dbraw/zinc/16/97/76/804169776.db2.gz VWDSRYSUAYPAKS-DLBZAZTESA-N 1 3 278.415 3.079 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246170685 804185540 /nfs/dbraw/zinc/18/55/40/804185540.db2.gz IUTXWECXWRSKGW-KUNBBXKYSA-N 1 3 276.468 3.323 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@]2(C)CCC[NH2+]C2)cc1 ZINC001246191660 804200389 /nfs/dbraw/zinc/20/03/89/804200389.db2.gz WWEAKESLSSFXKV-DOTOQJQBSA-N 1 3 260.425 3.048 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCN1 ZINC001246193322 804202000 /nfs/dbraw/zinc/20/20/00/804202000.db2.gz MPTYQCOFIYFLJI-CMPLNLGQSA-N 1 3 287.234 3.266 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC001246210851 804209058 /nfs/dbraw/zinc/20/90/58/804209058.db2.gz NRWRKUFHGAHGHR-KBAYOESNSA-N 1 3 274.452 3.231 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246221197 804215382 /nfs/dbraw/zinc/21/53/82/804215382.db2.gz JHMNAXWBFIJNDI-KURKYZTESA-N 1 3 292.442 3.325 20 0 CGADHO CC(C)(C)C1CCC([NH2+]C[C@@H]2CNCC[C@@H]2F)CC1 ZINC001246220445 804215447 /nfs/dbraw/zinc/21/54/47/804215447.db2.gz GEYSTZBJIYTXFY-PPWQZUPISA-N 1 3 270.436 3.129 20 0 CGADHO CCCCOCCC[NH2+][C@@H]1CCN[C@@H](CCCC)C1 ZINC001246236011 804229284 /nfs/dbraw/zinc/22/92/84/804229284.db2.gz UJTKAWKJBAIYJC-JKSUJKDBSA-N 1 3 270.461 3.094 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)CCN1 ZINC001246261384 804242802 /nfs/dbraw/zinc/24/28/02/804242802.db2.gz CVXULYMIJVHFNZ-VGWMRTNUSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246268950 804248756 /nfs/dbraw/zinc/24/87/56/804248756.db2.gz BPGQDNDEWULHON-WFASDCNBSA-N 1 3 280.843 3.391 20 0 CGADHO C[C@H](CCN)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246300827 804266036 /nfs/dbraw/zinc/26/60/36/804266036.db2.gz PFFYVDORJOUQIV-MXWWQKGMSA-N 1 3 272.436 3.140 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246308758 804270701 /nfs/dbraw/zinc/27/07/01/804270701.db2.gz HZXJREYADSLBKD-UGFHNGPFSA-N 1 3 299.245 3.320 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@@H](C)CSc1ccc(C)cc1 ZINC001246309041 804272188 /nfs/dbraw/zinc/27/21/88/804272188.db2.gz TXQLXVNHPHDEMA-UONOGXRCSA-N 1 3 266.454 3.193 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H]1CCc2cccc(Cl)c2C1 ZINC001246310820 804273828 /nfs/dbraw/zinc/27/38/28/804273828.db2.gz MYRIPDFMSWLTAL-KGLIPLIRSA-N 1 3 280.843 3.160 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246322622 804280813 /nfs/dbraw/zinc/28/08/13/804280813.db2.gz BYBSRAQZFJIBSO-GLXKALDVSA-N 1 3 284.447 3.299 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CCN1 ZINC001246331652 804286090 /nfs/dbraw/zinc/28/60/90/804286090.db2.gz BPRXWWHYEIMPFY-OLZOCXBDSA-N 1 3 286.612 3.230 20 0 CGADHO CC[C@@H](C)C1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246336807 804290926 /nfs/dbraw/zinc/29/09/26/804290926.db2.gz HPGVYNCAXUVELD-AKZYDZMLSA-N 1 3 252.446 3.321 20 0 CGADHO C[Si](C)(C)C([NH2+][C@H]1CCNC2(CCC2)C1)[Si](C)(C)C ZINC001246335941 804291040 /nfs/dbraw/zinc/29/10/40/804291040.db2.gz DWRFGJZCPPRBMC-ZDUSSCGKSA-N 1 3 298.623 3.374 20 0 CGADHO CC(C)c1ccc(CC[NH2+]C2C[C@H](C)N[C@@H](C)C2)cc1 ZINC001246344688 804295675 /nfs/dbraw/zinc/29/56/75/804295675.db2.gz RQGWUJOQWVCYRX-GJZGRUSLSA-N 1 3 274.452 3.471 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC001246351257 804299383 /nfs/dbraw/zinc/29/93/83/804299383.db2.gz STNGLUUTPDXQNC-RDBSUJKOSA-N 1 3 252.446 3.321 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246376166 804311408 /nfs/dbraw/zinc/31/14/08/804311408.db2.gz MOGBTCIZVSTDFD-RBUKOAKNSA-N 1 3 286.463 3.302 20 0 CGADHO CCCC[C@H](CC)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246379666 804313475 /nfs/dbraw/zinc/31/34/75/804313475.db2.gz ADSKAGPXRITJIS-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1ccccc1CC1(C[NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246385030 804315348 /nfs/dbraw/zinc/31/53/48/804315348.db2.gz RBNIHNBJIRMSIQ-WBVHZDCISA-N 1 3 272.436 3.048 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)CC2CCC2)CCN1 ZINC001246387486 804319001 /nfs/dbraw/zinc/31/90/01/804319001.db2.gz FZQZHYKDBMFBKR-HUUCEWRRSA-N 1 3 252.446 3.323 20 0 CGADHO CCC1([NH2+][C@@H]2CCN[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246409864 804323898 /nfs/dbraw/zinc/32/38/98/804323898.db2.gz CUPRQTPETFYOIZ-NWDGAFQWSA-N 1 3 260.372 3.075 20 0 CGADHO CC1(C)CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC001246432839 804332610 /nfs/dbraw/zinc/33/26/10/804332610.db2.gz HYTOKQHADGSHCA-APIJFGDWSA-N 1 3 250.430 3.075 20 0 CGADHO Clc1ccc(C2CCC([NH2+][C@H]3CC34CNC4)CC2)cc1 ZINC001246442629 804333056 /nfs/dbraw/zinc/33/30/56/804333056.db2.gz DJKJUXRHHDRWQK-BCLQGDPASA-N 1 3 290.838 3.318 20 0 CGADHO Clc1ccc(C2CCC(N[C@H]3CC34C[NH2+]C4)CC2)cc1 ZINC001246442629 804333066 /nfs/dbraw/zinc/33/30/66/804333066.db2.gz DJKJUXRHHDRWQK-BCLQGDPASA-N 1 3 290.838 3.318 20 0 CGADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1CCNC3(CCC3)C1)C2(C)C ZINC001246441696 804333903 /nfs/dbraw/zinc/33/39/03/804333903.db2.gz FLBATFCJTQHFEW-RFBLXINOSA-N 1 3 276.468 3.321 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CCN1 ZINC001246445195 804334104 /nfs/dbraw/zinc/33/41/04/804334104.db2.gz VXKKRRHCOGGKAS-OSLXHZNNSA-N 1 3 264.457 3.177 20 0 CGADHO C[C@H]1CC([NH2+]CC2(Cc3ccccc3F)CC2)C[C@H](C)N1 ZINC001246439245 804334833 /nfs/dbraw/zinc/33/48/33/804334833.db2.gz NTDQMPYAXBEXQP-KBPBESRZSA-N 1 3 290.426 3.267 20 0 CGADHO CCC[C@H](C)[NH2+]C1(Cc2ccccc2)CCNCC1 ZINC001246455110 804337723 /nfs/dbraw/zinc/33/77/23/804337723.db2.gz GGNXBCFMFPCDNN-HNNXBMFYSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@@]1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC001246457362 804338674 /nfs/dbraw/zinc/33/86/74/804338674.db2.gz SRLMMYHQGLQXTQ-XQQFMLRXSA-N 1 3 278.362 3.229 20 0 CGADHO C[C@H]1C[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[C@@H](C)C1 ZINC001246462369 804344514 /nfs/dbraw/zinc/34/45/14/804344514.db2.gz QODNVQVJGOKCJZ-YQFWSFKMSA-N 1 3 264.457 3.323 20 0 CGADHO CCCCCC1CCC([NH2+][C@H]2C[C@H](NC)C2)CC1 ZINC001246463864 804345040 /nfs/dbraw/zinc/34/50/40/804345040.db2.gz XODJPFMZFQGYJB-QJKUTOJQSA-N 1 3 252.446 3.466 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCNCC12CC2 ZINC001246474618 804351014 /nfs/dbraw/zinc/35/10/14/804351014.db2.gz RHEZTWDWFUIOCP-SJORKVTESA-N 1 3 272.436 3.130 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNCC23CC3)cc1 ZINC001246474656 804351556 /nfs/dbraw/zinc/35/15/56/804351556.db2.gz RNTDGOQGKYGOOF-DOTOQJQBSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)CCN1 ZINC001246487827 804357968 /nfs/dbraw/zinc/35/79/68/804357968.db2.gz HLMSBQVJBSDTMA-KBXIAJHMSA-N 1 3 252.446 3.321 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246499194 804361749 /nfs/dbraw/zinc/36/17/49/804361749.db2.gz SWLLHHDABDBXNZ-MCIONIFRSA-N 1 3 296.480 3.410 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246499194 804361756 /nfs/dbraw/zinc/36/17/56/804361756.db2.gz SWLLHHDABDBXNZ-MCIONIFRSA-N 1 3 296.480 3.410 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](NC)C1 ZINC001246500658 804362764 /nfs/dbraw/zinc/36/27/64/804362764.db2.gz XVAJYZYPUIDGSS-YESZJQIVSA-N 1 3 260.425 3.128 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]C)C1 ZINC001246500658 804362769 /nfs/dbraw/zinc/36/27/69/804362769.db2.gz XVAJYZYPUIDGSS-YESZJQIVSA-N 1 3 260.425 3.128 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC001246512733 804366615 /nfs/dbraw/zinc/36/66/15/804366615.db2.gz BSJXFROPMVICDQ-SNPRPXQTSA-N 1 3 252.446 3.035 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246514609 804369458 /nfs/dbraw/zinc/36/94/58/804369458.db2.gz IRMQJVDMLSDVEB-XEZPLFJOSA-N 1 3 252.446 3.179 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246515207 804369802 /nfs/dbraw/zinc/36/98/02/804369802.db2.gz KHXIUFBQCOONBC-LZWOXQAQSA-N 1 3 254.462 3.425 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H](C2CCC2)C2CNC2)CC(C)(C)C1 ZINC001246513856 804370036 /nfs/dbraw/zinc/37/00/36/804370036.db2.gz FLKGIOBNEJKASA-DAXOMENPSA-N 1 3 264.457 3.179 20 0 CGADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246520188 804373032 /nfs/dbraw/zinc/37/30/32/804373032.db2.gz RNKZWHVXISXZMZ-VQTJNVASSA-N 1 3 294.442 3.482 20 0 CGADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246520188 804373039 /nfs/dbraw/zinc/37/30/39/804373039.db2.gz RNKZWHVXISXZMZ-VQTJNVASSA-N 1 3 294.442 3.482 20 0 CGADHO c1ccc(CC2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246520260 804374513 /nfs/dbraw/zinc/37/45/13/804374513.db2.gz SPDNGYHRWKTMFE-REPLKXPHSA-N 1 3 284.447 3.224 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246526139 804379774 /nfs/dbraw/zinc/37/97/74/804379774.db2.gz MHCDJAXJQGHOFL-QKPAOTATSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246526139 804379783 /nfs/dbraw/zinc/37/97/83/804379783.db2.gz MHCDJAXJQGHOFL-QKPAOTATSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@]1([NH3+])CCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531398 804384245 /nfs/dbraw/zinc/38/42/45/804384245.db2.gz QQGBQIQIILJVAI-IXDOHACOSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1c2ccccc2CCN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540506 804387227 /nfs/dbraw/zinc/38/72/27/804387227.db2.gz AZUKTULJJKYIGO-GDBMZVCRSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246540506 804387236 /nfs/dbraw/zinc/38/72/36/804387236.db2.gz AZUKTULJJKYIGO-GDBMZVCRSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246540506 804387245 /nfs/dbraw/zinc/38/72/45/804387245.db2.gz AZUKTULJJKYIGO-GDBMZVCRSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1C[N@@H+]([C@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543110 804390851 /nfs/dbraw/zinc/39/08/51/804390851.db2.gz TWOCXGASIKQGJX-OWLYRPNTSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@H+]([C@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543110 804390859 /nfs/dbraw/zinc/39/08/59/804390859.db2.gz TWOCXGASIKQGJX-OWLYRPNTSA-N 1 3 272.436 3.239 20 0 CGADHO N[C@H]1CCC[N@@H+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001246541745 804390954 /nfs/dbraw/zinc/39/09/54/804390954.db2.gz NGABVZSAOLHQMP-HJOIGYKYSA-N 1 3 288.435 3.190 20 0 CGADHO N[C@H]1CCC[N@H+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001246541745 804390961 /nfs/dbraw/zinc/39/09/61/804390961.db2.gz NGABVZSAOLHQMP-HJOIGYKYSA-N 1 3 288.435 3.190 20 0 CGADHO [NH3+][C@H]1CCCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544795 804393614 /nfs/dbraw/zinc/39/36/14/804393614.db2.gz ZEUKZMBQCVQKSW-KBPBESRZSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@H]1C[N@@H+](C2CCC3(CCCCC3)CC2)C[C@H]1CN ZINC001246550768 804400649 /nfs/dbraw/zinc/40/06/49/804400649.db2.gz XBXMMLNRAKCPCE-LSDHHAIUSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@H]1C[N@H+](C2CCC3(CCCCC3)CC2)C[C@H]1CN ZINC001246550768 804400651 /nfs/dbraw/zinc/40/06/51/804400651.db2.gz XBXMMLNRAKCPCE-LSDHHAIUSA-N 1 3 264.457 3.406 20 0 CGADHO CC(C)C1CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246557655 804405897 /nfs/dbraw/zinc/40/58/97/804405897.db2.gz NAPIQBCSQSQYCX-ROKHWSDSSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246562893 804411988 /nfs/dbraw/zinc/41/19/88/804411988.db2.gz ICNBALKXHZMYBC-IPYPFGDCSA-N 1 3 280.843 3.330 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246569361 804417093 /nfs/dbraw/zinc/41/70/93/804417093.db2.gz CFLHLJIRAOEZKC-FZKCQIBNSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246569361 804417096 /nfs/dbraw/zinc/41/70/96/804417096.db2.gz CFLHLJIRAOEZKC-FZKCQIBNSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246595056 804435413 /nfs/dbraw/zinc/43/54/13/804435413.db2.gz XLCWKLBPCVKJPZ-HZSPNIEDSA-N 1 3 296.455 3.366 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599053 804438703 /nfs/dbraw/zinc/43/87/03/804438703.db2.gz AFGQXSXLGPBOQE-JKSUJKDBSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599053 804438708 /nfs/dbraw/zinc/43/87/08/804438708.db2.gz AFGQXSXLGPBOQE-JKSUJKDBSA-N 1 3 250.430 3.197 20 0 CGADHO CC[C@H](Cc1ccccc1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246612805 804446410 /nfs/dbraw/zinc/44/64/10/804446410.db2.gz XETRKIAZVWMOBQ-QZTJIDSGSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246612805 804446412 /nfs/dbraw/zinc/44/64/12/804446412.db2.gz XETRKIAZVWMOBQ-QZTJIDSGSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246612805 804446415 /nfs/dbraw/zinc/44/64/15/804446415.db2.gz XETRKIAZVWMOBQ-QZTJIDSGSA-N 1 3 272.436 3.226 20 0 CGADHO C[C@H]1CC([N@@H+]2CCC[C@@]3(CCCCN3)C2)C[C@H](C)C1 ZINC001246616284 804449828 /nfs/dbraw/zinc/44/98/28/804449828.db2.gz VDOGFEKNIKNOAB-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC([N@H+]2CCC[C@@]3(CCCCN3)C2)C[C@H](C)C1 ZINC001246616284 804449833 /nfs/dbraw/zinc/44/98/33/804449833.db2.gz VDOGFEKNIKNOAB-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC(N2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@H](C)C1 ZINC001246616284 804449837 /nfs/dbraw/zinc/44/98/37/804449837.db2.gz VDOGFEKNIKNOAB-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@H](N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC001246617713 804452654 /nfs/dbraw/zinc/45/26/54/804452654.db2.gz DSKKEMWBBGBFIJ-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624945 804457201 /nfs/dbraw/zinc/45/72/01/804457201.db2.gz PZFWBMSSBVKBNT-GOEBONIOSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624945 804457204 /nfs/dbraw/zinc/45/72/04/804457204.db2.gz PZFWBMSSBVKBNT-GOEBONIOSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1ccc2c(c1)C[C@H](N1CCC3(CCC[NH2+]3)CC1)CC2 ZINC001246623989 804457288 /nfs/dbraw/zinc/45/72/88/804457288.db2.gz NITMGIZKAGBPDN-GOSISDBHSA-N 1 3 284.447 3.070 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC(F)(C[NH3+])CC1 ZINC001246630094 804460554 /nfs/dbraw/zinc/46/05/54/804460554.db2.gz RQGSCXIVWWHPOH-GFCCVEGCSA-N 1 3 284.806 3.034 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629698 804460757 /nfs/dbraw/zinc/46/07/57/804460757.db2.gz HHYSBLJPTOHVCY-IAGOWNOFSA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629698 804460759 /nfs/dbraw/zinc/46/07/59/804460759.db2.gz HHYSBLJPTOHVCY-IAGOWNOFSA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634679 804464609 /nfs/dbraw/zinc/46/46/09/804464609.db2.gz AOZUEHCJBNRLAL-XMTFNYHQSA-N 1 3 270.420 3.149 20 0 CGADHO CCCC1CCC(N2CCOC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001246636019 804465859 /nfs/dbraw/zinc/46/58/59/804465859.db2.gz KAJUUBNUIRMCEU-DAWZGUTISA-N 1 3 294.483 3.047 20 0 CGADHO CCCC1CCC([N@@H+]2CCOC[C@@]3(CCCNC3)C2)CC1 ZINC001246636019 804465860 /nfs/dbraw/zinc/46/58/60/804465860.db2.gz KAJUUBNUIRMCEU-DAWZGUTISA-N 1 3 294.483 3.047 20 0 CGADHO CCCC1CCC([N@H+]2CCOC[C@@]3(CCCNC3)C2)CC1 ZINC001246636019 804465863 /nfs/dbraw/zinc/46/58/63/804465863.db2.gz KAJUUBNUIRMCEU-DAWZGUTISA-N 1 3 294.483 3.047 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCCC23CCNCC3)CC1 ZINC001246647771 804475038 /nfs/dbraw/zinc/47/50/38/804475038.db2.gz UCOOFYVOHKQYAF-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C1CCC([N@H+]2CCCC23CCNCC3)CC1 ZINC001246647771 804475040 /nfs/dbraw/zinc/47/50/40/804475040.db2.gz UCOOFYVOHKQYAF-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@@H](CCC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656831 804482108 /nfs/dbraw/zinc/48/21/08/804482108.db2.gz NWTKSPNBVRPJPW-MJBXVCDLSA-N 1 3 292.389 3.429 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656831 804482111 /nfs/dbraw/zinc/48/21/11/804482111.db2.gz NWTKSPNBVRPJPW-MJBXVCDLSA-N 1 3 292.389 3.429 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656831 804482113 /nfs/dbraw/zinc/48/21/13/804482113.db2.gz NWTKSPNBVRPJPW-MJBXVCDLSA-N 1 3 292.389 3.429 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246659010 804483911 /nfs/dbraw/zinc/48/39/11/804483911.db2.gz QEGIBBRPAHOUCS-SQNIBIBYSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246659010 804483915 /nfs/dbraw/zinc/48/39/15/804483915.db2.gz QEGIBBRPAHOUCS-SQNIBIBYSA-N 1 3 272.436 3.082 20 0 CGADHO [NH3+][C@@]12C[C@@H]1CCN([C@@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246664296 804486530 /nfs/dbraw/zinc/48/65/30/804486530.db2.gz YGPOSJQEJUDMMP-XMTFNYHQSA-N 1 3 270.420 3.136 20 0 CGADHO Cc1ccc(CC[C@H](C)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001246667780 804488433 /nfs/dbraw/zinc/48/84/33/804488433.db2.gz VHMHUBSWSGHILI-CGTJXYLNSA-N 1 3 272.436 3.129 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@H+](C2CCCC2)CC3)cc1 ZINC001246672616 804489265 /nfs/dbraw/zinc/48/92/65/804489265.db2.gz MKPWZIOCLDGOIM-PKOBYXMFSA-N 1 3 284.447 3.182 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672616 804489269 /nfs/dbraw/zinc/48/92/69/804489269.db2.gz MKPWZIOCLDGOIM-PKOBYXMFSA-N 1 3 284.447 3.182 20 0 CGADHO CCCCC1CC[NH+]([C@@H]2CCN[C@@H](CC)C2)CC1 ZINC001246681823 804494107 /nfs/dbraw/zinc/49/41/07/804494107.db2.gz QYILBVHCBMGNOY-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246692210 804499231 /nfs/dbraw/zinc/49/92/31/804499231.db2.gz NBFNJSNSPUMTGC-JONQDZQNSA-N 1 3 270.436 3.225 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246692210 804499235 /nfs/dbraw/zinc/49/92/35/804499235.db2.gz NBFNJSNSPUMTGC-JONQDZQNSA-N 1 3 270.436 3.225 20 0 CGADHO CCCC[N@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246770685 804502394 /nfs/dbraw/zinc/50/23/94/804502394.db2.gz QZTGURCWJRHUDC-JWTNVVGKSA-N 1 3 270.420 3.348 20 0 CGADHO CCCC[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246770685 804502395 /nfs/dbraw/zinc/50/23/95/804502395.db2.gz QZTGURCWJRHUDC-JWTNVVGKSA-N 1 3 270.420 3.348 20 0 CGADHO CCCCN(Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246770685 804502401 /nfs/dbraw/zinc/50/24/01/804502401.db2.gz QZTGURCWJRHUDC-JWTNVVGKSA-N 1 3 270.420 3.348 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773630 804504441 /nfs/dbraw/zinc/50/44/41/804504441.db2.gz BVVVPSIVUFGVFK-RYQLBKOJSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773630 804504444 /nfs/dbraw/zinc/50/44/44/804504444.db2.gz BVVVPSIVUFGVFK-RYQLBKOJSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C[C@H](C)N1 ZINC001246779249 804506638 /nfs/dbraw/zinc/50/66/38/804506638.db2.gz QXCSGBRPHFSCTL-MVJTYMMSSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)C[C@H](C)N1 ZINC001246779249 804506645 /nfs/dbraw/zinc/50/66/45/804506645.db2.gz QXCSGBRPHFSCTL-MVJTYMMSSA-N 1 3 272.436 3.395 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246781081 804507430 /nfs/dbraw/zinc/50/74/30/804507430.db2.gz XJKHSTNQARQSAN-IRXDYDNUSA-N 1 3 272.436 3.397 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246781081 804507431 /nfs/dbraw/zinc/50/74/31/804507431.db2.gz XJKHSTNQARQSAN-IRXDYDNUSA-N 1 3 272.436 3.397 20 0 CGADHO COc1ccccc1[C@@H]1CCCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246791065 804512830 /nfs/dbraw/zinc/51/28/30/804512830.db2.gz JEELNKAYQWBSFF-CPUCHLNUSA-N 1 3 288.435 3.361 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246790535 804513279 /nfs/dbraw/zinc/51/32/79/804513279.db2.gz HETPDDACUSGLRL-GOSISDBHSA-N 1 3 286.463 3.473 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246790535 804513285 /nfs/dbraw/zinc/51/32/85/804513285.db2.gz HETPDDACUSGLRL-GOSISDBHSA-N 1 3 286.463 3.473 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246794060 804516983 /nfs/dbraw/zinc/51/69/83/804516983.db2.gz YNFFTLWXVCVYBR-DLBZAZTESA-N 1 3 272.436 3.082 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246794060 804516988 /nfs/dbraw/zinc/51/69/88/804516988.db2.gz YNFFTLWXVCVYBR-DLBZAZTESA-N 1 3 272.436 3.082 20 0 CGADHO CN(CCc1ccc(F)cc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246825591 804538550 /nfs/dbraw/zinc/53/85/50/804538550.db2.gz VVIHICFFAPZNNZ-IRXDYDNUSA-N 1 3 292.442 3.467 20 0 CGADHO CCCCCC[C@@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246838449 804546769 /nfs/dbraw/zinc/54/67/69/804546769.db2.gz XWFHYRNZTIECIG-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCCC[C@@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246838449 804546772 /nfs/dbraw/zinc/54/67/72/804546772.db2.gz XWFHYRNZTIECIG-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844629 804554857 /nfs/dbraw/zinc/55/48/57/804554857.db2.gz ZTJNUXHEACYEFP-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@H]1CCCNC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844629 804554859 /nfs/dbraw/zinc/55/48/59/804554859.db2.gz ZTJNUXHEACYEFP-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@H]1CCCNC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844629 804554862 /nfs/dbraw/zinc/55/48/62/804554862.db2.gz ZTJNUXHEACYEFP-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847318 804557013 /nfs/dbraw/zinc/55/70/13/804557013.db2.gz SWXHINZKHSQRTG-XQLPTFJDSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847318 804557016 /nfs/dbraw/zinc/55/70/16/804557016.db2.gz SWXHINZKHSQRTG-XQLPTFJDSA-N 1 3 252.446 3.274 20 0 CGADHO C[NH2+]CC[C@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001246855149 804563427 /nfs/dbraw/zinc/56/34/27/804563427.db2.gz VGDLRLGQRUWCHT-GXTWGEPZSA-N 1 3 266.816 3.127 20 0 CGADHO CC[C@H]1c2ccccc2CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861338 804566038 /nfs/dbraw/zinc/56/60/38/804566038.db2.gz AVQCRVNMAGUEID-ONYGOOLBSA-N 1 3 270.420 3.279 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246862858 804567421 /nfs/dbraw/zinc/56/74/21/804567421.db2.gz DWPZNTQJJQUANX-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246862858 804567425 /nfs/dbraw/zinc/56/74/25/804567425.db2.gz DWPZNTQJJQUANX-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CC2(C1)CCC[NH2+]CC2 ZINC001246882573 804578750 /nfs/dbraw/zinc/57/87/50/804578750.db2.gz ZAGVNMQBDGBJIV-AWEZNQCLSA-N 1 3 292.854 3.347 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)C[C@H](C)N1 ZINC001246890972 804583015 /nfs/dbraw/zinc/58/30/15/804583015.db2.gz IGHNQBMCSZRZQL-SCAQPMJSSA-N 1 3 274.452 3.469 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@H](C)N1 ZINC001246890972 804583019 /nfs/dbraw/zinc/58/30/19/804583019.db2.gz IGHNQBMCSZRZQL-SCAQPMJSSA-N 1 3 274.452 3.469 20 0 CGADHO CCC[C@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246935617 804608918 /nfs/dbraw/zinc/60/89/18/804608918.db2.gz GPHMWAJSLBZXRL-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246935617 804608922 /nfs/dbraw/zinc/60/89/22/804608922.db2.gz GPHMWAJSLBZXRL-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CCC(C)(C)C1CCC(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246950232 804615794 /nfs/dbraw/zinc/61/57/94/804615794.db2.gz WELPCQNNEYOIAE-LISQQWEMSA-N 1 3 264.457 3.131 20 0 CGADHO CC(C)[N@H+]([C@H]1CCNC1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246975930 804623915 /nfs/dbraw/zinc/62/39/15/804623915.db2.gz ULJYZQSPHRKYQQ-KKUMJFAQSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCNC1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246975930 804623917 /nfs/dbraw/zinc/62/39/17/804623917.db2.gz ULJYZQSPHRKYQQ-KKUMJFAQSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@@H]1C[C@H](N(C)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002169 804635650 /nfs/dbraw/zinc/63/56/50/804635650.db2.gz SBIOWFUVXSPPIM-BPQIPLTHSA-N 1 3 272.436 3.382 20 0 CGADHO CC[C@H]1C[C@@H](N2CCC3(Cc4ccccc4N3)CC2)CC[NH2+]1 ZINC001247005394 804636947 /nfs/dbraw/zinc/63/69/47/804636947.db2.gz YHJYLLIBLYYZSA-IRXDYDNUSA-N 1 3 299.462 3.020 20 0 CGADHO CN1C(C)(C)CC([NH2+]C2CCC3(COC3)CC2)CC1(C)C ZINC001257899933 807246399 /nfs/dbraw/zinc/24/63/99/807246399.db2.gz IWFZGVWOXNUVQQ-UHFFFAOYSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1ncc(Nc2ccc(C3CC[NH+](C)CC3)cc2)n1C ZINC001212689757 815104078 /nfs/dbraw/zinc/10/40/78/815104078.db2.gz IAUFVHBJQDCBIH-UHFFFAOYSA-N 1 3 284.407 3.281 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@H](C)c2ccc(O)cc2)CC1 ZINC001258003763 807262762 /nfs/dbraw/zinc/26/27/62/807262762.db2.gz SURPOJQCJHVWMD-HNNXBMFYSA-N 1 3 290.451 3.206 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCCC13CC3)C2 ZINC001167984756 807289979 /nfs/dbraw/zinc/28/99/79/807289979.db2.gz QVWNJOXZIOCNPI-XYPWUTKMSA-N 1 3 260.425 3.020 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCCC13CC3)C2 ZINC001167984756 807289983 /nfs/dbraw/zinc/28/99/83/807289983.db2.gz QVWNJOXZIOCNPI-XYPWUTKMSA-N 1 3 260.425 3.020 20 0 CGADHO C[C@H]1CCCCN1c1cccc(NC2(C)CC[NH2+]CC2)n1 ZINC001168187977 807338943 /nfs/dbraw/zinc/33/89/43/807338943.db2.gz YZLVVGYPCIHEJJ-AWEZNQCLSA-N 1 3 288.439 3.014 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2ccco2)CC1 ZINC001258181442 807346910 /nfs/dbraw/zinc/34/69/10/807346910.db2.gz NUBSLJCNTIXWMX-CQSZACIVSA-N 1 3 278.440 3.453 20 0 CGADHO Cc1c(F)cccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168358793 807391582 /nfs/dbraw/zinc/39/15/82/807391582.db2.gz VLSPUXIGIGHCGA-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cc(F)cc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168358949 807391655 /nfs/dbraw/zinc/39/16/55/807391655.db2.gz ZHIJYLOKEPIZKX-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cccc2c1CC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168373346 807397956 /nfs/dbraw/zinc/39/79/56/807397956.db2.gz PHGXJVDXAAXKIR-UHFFFAOYSA-N 1 3 284.447 3.228 20 0 CGADHO Cc1cccc2c1CC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168373346 807397966 /nfs/dbraw/zinc/39/79/66/807397966.db2.gz PHGXJVDXAAXKIR-UHFFFAOYSA-N 1 3 284.447 3.228 20 0 CGADHO CC[NH+](CC)CCCN[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168676618 807472266 /nfs/dbraw/zinc/47/22/66/807472266.db2.gz NZUHSUHODFYCQH-CQSZACIVSA-N 1 3 280.843 3.129 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001169089351 807571633 /nfs/dbraw/zinc/57/16/33/807571633.db2.gz BZWHVILWJGOOSG-OSYLJGHBSA-N 1 3 272.436 3.327 20 0 CGADHO CC(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169108325 807577654 /nfs/dbraw/zinc/57/76/54/807577654.db2.gz RCNMFISNEPBIQM-BIMQEMHKSA-N 1 3 286.419 3.165 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1cccc(Cl)c1)C2 ZINC001169139493 807588274 /nfs/dbraw/zinc/58/82/74/807588274.db2.gz NSFDMHIROIWJRM-ZSHCYNCHSA-N 1 3 278.827 3.397 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1cccc(Cl)c1)C2 ZINC001169139493 807588278 /nfs/dbraw/zinc/58/82/78/807588278.db2.gz NSFDMHIROIWJRM-ZSHCYNCHSA-N 1 3 278.827 3.397 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258787458 807612993 /nfs/dbraw/zinc/61/29/93/807612993.db2.gz UFMJLKXPSQOOIF-XMTFNYHQSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)C1CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001258804495 807624593 /nfs/dbraw/zinc/62/45/93/807624593.db2.gz PTVHCQMWLUODBP-GMRIPVOYSA-N 1 3 264.457 3.085 20 0 CGADHO CC(C)C1CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001258804495 807624596 /nfs/dbraw/zinc/62/45/96/807624596.db2.gz PTVHCQMWLUODBP-GMRIPVOYSA-N 1 3 264.457 3.085 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001258907142 807672315 /nfs/dbraw/zinc/67/23/15/807672315.db2.gz GMWCYDVUQFNDLO-ULQDDVLXSA-N 1 3 294.483 3.331 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)CN1CCCC1 ZINC001262160635 807830991 /nfs/dbraw/zinc/83/09/91/807830991.db2.gz KYVNONPZGSWYBH-QZTJIDSGSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073015 807978898 /nfs/dbraw/zinc/97/88/98/807978898.db2.gz OKOZDSCAUISHIC-SKDRFNHKSA-N 1 3 287.234 3.035 20 0 CGADHO CC1([NH3+])CCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105164 807984859 /nfs/dbraw/zinc/98/48/59/807984859.db2.gz PFCQMDQABHNIOQ-OAHLLOKOSA-N 1 3 278.827 3.011 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171411657 808050207 /nfs/dbraw/zinc/05/02/07/808050207.db2.gz LDTIKQZCAJPXHN-OWCLPIDISA-N 1 3 290.426 3.145 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@](C)(CF)C2)CC1(C)C ZINC001171631245 808107951 /nfs/dbraw/zinc/10/79/51/808107951.db2.gz GMHWHTISIGITAN-MRXNPFEDSA-N 1 3 270.436 3.319 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@](C)(CF)C2)CC1(C)C ZINC001171631245 808107953 /nfs/dbraw/zinc/10/79/53/808107953.db2.gz GMHWHTISIGITAN-MRXNPFEDSA-N 1 3 270.436 3.319 20 0 CGADHO CN1C(C)(C)CC([N@H+](C)CC2CCC2)CC1(C)C ZINC001171636533 808109313 /nfs/dbraw/zinc/10/93/13/808109313.db2.gz HMBSXFAEODLFCL-UHFFFAOYSA-N 1 3 252.446 3.370 20 0 CGADHO CN1C(C)(C)CC([N@@H+](C)CC2CCC2)CC1(C)C ZINC001171636533 808109317 /nfs/dbraw/zinc/10/93/17/808109317.db2.gz HMBSXFAEODLFCL-UHFFFAOYSA-N 1 3 252.446 3.370 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001171964770 808161591 /nfs/dbraw/zinc/16/15/91/808161591.db2.gz OITYYIYWMUMDHI-LEWSCRJBSA-N 1 3 286.341 3.106 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccn1 ZINC001172106463 808175645 /nfs/dbraw/zinc/17/56/45/808175645.db2.gz PAYMZQFXAWRSMI-JONQDZQNSA-N 1 3 273.424 3.138 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001172124539 808185384 /nfs/dbraw/zinc/18/53/84/808185384.db2.gz LIPACQGNIPJGJB-NRKLIOEPSA-N 1 3 262.441 3.266 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001172124539 808185389 /nfs/dbraw/zinc/18/53/89/808185389.db2.gz LIPACQGNIPJGJB-NRKLIOEPSA-N 1 3 262.441 3.266 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCc3ccsc3C1)C2 ZINC001172125944 808186029 /nfs/dbraw/zinc/18/60/29/808186029.db2.gz SEDNQAWCAQFUTJ-FICVDOATSA-N 1 3 276.449 3.122 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCc3ccsc3C1)C2 ZINC001172125944 808186034 /nfs/dbraw/zinc/18/60/34/808186034.db2.gz SEDNQAWCAQFUTJ-FICVDOATSA-N 1 3 276.449 3.122 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC001172369312 808264381 /nfs/dbraw/zinc/26/43/81/808264381.db2.gz ZWXQUKDIPZLXKI-HLLBOEOZSA-N 1 3 273.424 3.028 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H](C)CCOC(C)C)CC1 ZINC001172443431 808318192 /nfs/dbraw/zinc/31/81/92/808318192.db2.gz ZPXFHCXLYJWHOC-OAHLLOKOSA-N 1 3 284.488 3.433 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@@H]1CCCN1C ZINC001172842553 808457706 /nfs/dbraw/zinc/45/77/06/808457706.db2.gz RGBRTBDKUPTHCA-OLZOCXBDSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NCC[C@@H]1CCC[N@@H+]1C ZINC001172842553 808457708 /nfs/dbraw/zinc/45/77/08/808457708.db2.gz RGBRTBDKUPTHCA-OLZOCXBDSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NCC[C@@H]1CCC[N@H+]1C ZINC001172842553 808457711 /nfs/dbraw/zinc/45/77/11/808457711.db2.gz RGBRTBDKUPTHCA-OLZOCXBDSA-N 1 3 298.833 3.484 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2)C[C@@H](C)CN)C1 ZINC001172925993 808483302 /nfs/dbraw/zinc/48/33/02/808483302.db2.gz MSONWMXUFMZYIZ-RYQLBKOJSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)C[C@@H](C)CN)C1 ZINC001172925993 808483304 /nfs/dbraw/zinc/48/33/04/808483304.db2.gz MSONWMXUFMZYIZ-RYQLBKOJSA-N 1 3 290.451 3.041 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC001172925538 808483754 /nfs/dbraw/zinc/48/37/54/808483754.db2.gz FXWMCYTVOCHGOI-RDJZCZTQSA-N 1 3 282.472 3.187 20 0 CGADHO CC[NH+](CC)C1CCC(NCc2nc(C)oc2C)CC1 ZINC001173103360 808510678 /nfs/dbraw/zinc/51/06/78/808510678.db2.gz ACNOLWAQDGCEFB-UHFFFAOYSA-N 1 3 279.428 3.034 20 0 CGADHO CC[NH+](CC)C1CCC(N2CCc3ncccc3C2)CC1 ZINC001173114220 808513193 /nfs/dbraw/zinc/51/31/93/808513193.db2.gz CYHCLAXKXZHPBK-UHFFFAOYSA-N 1 3 287.451 3.093 20 0 CGADHO CC[N@@H+]1CC[C@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001173351668 808626785 /nfs/dbraw/zinc/62/67/85/808626785.db2.gz WGBVYZVIVBMKKJ-ZDUSSCGKSA-N 1 3 277.799 3.020 20 0 CGADHO CC[N@H+]1CC[C@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001173351668 808626787 /nfs/dbraw/zinc/62/67/87/808626787.db2.gz WGBVYZVIVBMKKJ-ZDUSSCGKSA-N 1 3 277.799 3.020 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)NC1(C[NH3+])CC1 ZINC001173548137 808645974 /nfs/dbraw/zinc/64/59/74/808645974.db2.gz YGIKUTDTSYXUHQ-JTQLQIEISA-N 1 3 287.234 3.395 20 0 CGADHO C[C@H](CN)C[N@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173685670 808664408 /nfs/dbraw/zinc/66/44/08/808664408.db2.gz ZZLGKRPTLUTHOI-LSJNQWAISA-N 1 3 286.463 3.340 20 0 CGADHO C[C@H](CN)C[N@@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173685670 808664412 /nfs/dbraw/zinc/66/44/12/808664412.db2.gz ZZLGKRPTLUTHOI-LSJNQWAISA-N 1 3 286.463 3.340 20 0 CGADHO C[N@@H+]1C[C@H]2C[C@@H](C1)N(CCCCCc1ccccc1)C2 ZINC001274991425 808895967 /nfs/dbraw/zinc/89/59/67/808895967.db2.gz SWDKZCOVTRKLHJ-MSOLQXFVSA-N 1 3 272.436 3.035 20 0 CGADHO C[N@H+]1C[C@H]2C[C@@H](C1)N(CCCCCc1ccccc1)C2 ZINC001274991425 808895976 /nfs/dbraw/zinc/89/59/76/808895976.db2.gz SWDKZCOVTRKLHJ-MSOLQXFVSA-N 1 3 272.436 3.035 20 0 CGADHO CCc1ccc(CN[C@@]23CC[C@@]([NH2+]C)(C2)CCC3)cc1 ZINC001275915533 808975287 /nfs/dbraw/zinc/97/52/87/808975287.db2.gz BKEXACAXWHYUEO-MSOLQXFVSA-N 1 3 272.436 3.403 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC1(c3ccccc3)CC1)C2 ZINC001276424704 809007565 /nfs/dbraw/zinc/00/75/65/809007565.db2.gz MPSKHYWIWZRVLL-GOSISDBHSA-N 1 3 284.447 3.136 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC1(c3ccccc3)CC1)C2 ZINC001276424704 809007572 /nfs/dbraw/zinc/00/75/72/809007572.db2.gz MPSKHYWIWZRVLL-GOSISDBHSA-N 1 3 284.447 3.136 20 0 CGADHO Cc1noc2ccc(CN3CCC4(CC[N@@H+](C)C4)CC3)cc12 ZINC001277217377 809063505 /nfs/dbraw/zinc/06/35/05/809063505.db2.gz PWYOOUXBBHOLPL-UHFFFAOYSA-N 1 3 299.418 3.054 20 0 CGADHO Cc1noc2ccc(CN3CCC4(CC[N@H+](C)C4)CC3)cc12 ZINC001277217377 809063511 /nfs/dbraw/zinc/06/35/11/809063511.db2.gz PWYOOUXBBHOLPL-UHFFFAOYSA-N 1 3 299.418 3.054 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C)C2)c(C)c1 ZINC001175445098 809409952 /nfs/dbraw/zinc/40/99/52/809409952.db2.gz VNRUBGKGVPEWFA-FUHWJXTLSA-N 1 3 272.436 3.138 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCN3C)C2)c(C)c1 ZINC001175445098 809409956 /nfs/dbraw/zinc/40/99/56/809409956.db2.gz VNRUBGKGVPEWFA-FUHWJXTLSA-N 1 3 272.436 3.138 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001184387444 810197003 /nfs/dbraw/zinc/19/70/03/810197003.db2.gz JYRCHDUUWBTYIH-CAOSSQGBSA-N 1 3 252.446 3.131 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)[C@@H]2C1 ZINC001184389587 810197591 /nfs/dbraw/zinc/19/75/91/810197591.db2.gz YLEPPIMBDSOGNZ-IVDHNXQLSA-N 1 3 298.474 3.328 20 0 CGADHO CSCCC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201689641 811938125 /nfs/dbraw/zinc/93/81/25/811938125.db2.gz BFQUQEMEVPWVRT-HNNXBMFYSA-N 1 3 270.486 3.080 20 0 CGADHO CSCCC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201689641 811938128 /nfs/dbraw/zinc/93/81/28/811938128.db2.gz BFQUQEMEVPWVRT-HNNXBMFYSA-N 1 3 270.486 3.080 20 0 CGADHO C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001201858040 811973179 /nfs/dbraw/zinc/97/31/79/811973179.db2.gz YQEYAHZVIJRZNW-PBHICJAKSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](C)CN(C)C)c(C)c1 ZINC001202588025 812128843 /nfs/dbraw/zinc/12/88/43/812128843.db2.gz YQOBWFZARLJSBU-MVGZEHJDSA-N 1 3 274.452 3.412 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC001203999347 812514783 /nfs/dbraw/zinc/51/47/83/812514783.db2.gz CAVICKMCYOBORV-UHFFFAOYSA-N 1 3 280.415 3.367 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001204110632 812550458 /nfs/dbraw/zinc/55/04/58/812550458.db2.gz GEXBUUBWJWNVOM-RRFJBIMHSA-N 1 3 272.502 3.371 20 0 CGADHO Cc1cc(C)cc(CN2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001204523730 812665078 /nfs/dbraw/zinc/66/50/78/812665078.db2.gz DAOBGCGYRCNUQL-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc3n2CCNC3)c1 ZINC001204848805 812753609 /nfs/dbraw/zinc/75/36/09/812753609.db2.gz USEBLBMIJBPCMD-LJQANCHMSA-N 1 3 295.430 3.237 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc3n2CCNC3)c1 ZINC001204848805 812753615 /nfs/dbraw/zinc/75/36/15/812753615.db2.gz USEBLBMIJBPCMD-LJQANCHMSA-N 1 3 295.430 3.237 20 0 CGADHO COc1cc(C)c(CN2CCC[C@](C)([NH3+])CC2)cc1C ZINC001205257931 812918425 /nfs/dbraw/zinc/91/84/25/812918425.db2.gz YRUZNAXTLCKYRX-KRWDZBQOSA-N 1 3 276.424 3.015 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001205289140 812933029 /nfs/dbraw/zinc/93/30/29/812933029.db2.gz TUILHDGMWXJBPK-KRWDZBQOSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@H]1CCN(Cc2ccc(-c3ccncc3)cc2)C[C@H]1C[NH3+] ZINC001205303270 812940606 /nfs/dbraw/zinc/94/06/06/812940606.db2.gz BTUNNJLUWKXUNJ-HNAYVOBHSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H]1CCN(Cc2nc3ccccc3s2)CC[C@H]1C[NH3+] ZINC001205615769 813026133 /nfs/dbraw/zinc/02/61/33/813026133.db2.gz AVROOVPSMKYBMQ-STQMWFEESA-N 1 3 289.448 3.103 20 0 CGADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@H]2C)ccc1OC(C)C ZINC001205915808 813131652 /nfs/dbraw/zinc/13/16/52/813131652.db2.gz QPYDGPKZWOJQTG-NVXWUHKLSA-N 1 3 290.451 3.341 20 0 CGADHO CCSc1ccccc1CN1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923102 813135289 /nfs/dbraw/zinc/13/52/89/813135289.db2.gz IPYSTFWKHXBDEJ-ZIAGYGMSSA-N 1 3 278.465 3.358 20 0 CGADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)o2)CCC[C@@H]1C[NH3+] ZINC001206015044 813166310 /nfs/dbraw/zinc/16/63/10/813166310.db2.gz ZSBPMHFEKMVYHG-GHMZBOCLSA-N 1 3 290.329 3.105 20 0 CGADHO Cc1cc(F)c(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206023169 813169101 /nfs/dbraw/zinc/16/91/01/813169101.db2.gz DKVPIIXMZMUYHG-QWHCGFSZSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1C[N@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@H]1N ZINC001206048955 813181153 /nfs/dbraw/zinc/18/11/53/813181153.db2.gz CTQWADSDBXIUBC-BXUZGUMPSA-N 1 3 298.883 3.490 20 0 CGADHO C[C@@H]1C[N@@H+](CC(C)(C)Sc2ccc(Cl)cc2)C[C@H]1N ZINC001206048955 813181155 /nfs/dbraw/zinc/18/11/55/813181155.db2.gz CTQWADSDBXIUBC-BXUZGUMPSA-N 1 3 298.883 3.490 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccsc2Cl)CC1 ZINC001206317036 813287798 /nfs/dbraw/zinc/28/77/98/813287798.db2.gz BHOBYZYZNAFQFU-CYBMUJFWSA-N 1 3 272.845 3.352 20 0 CGADHO CCCc1ccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)cc1 ZINC001206363188 813304706 /nfs/dbraw/zinc/30/47/06/813304706.db2.gz VRTAPTJWQBXWCC-QGZVFWFLSA-N 1 3 278.415 3.292 20 0 CGADHO CCCc1ccc(C[N@H+]2CCCC[C@@](F)(CN)C2)cc1 ZINC001206363188 813304711 /nfs/dbraw/zinc/30/47/11/813304711.db2.gz VRTAPTJWQBXWCC-QGZVFWFLSA-N 1 3 278.415 3.292 20 0 CGADHO C[C@@]1(F)CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206404562 813315622 /nfs/dbraw/zinc/31/56/22/813315622.db2.gz MHDZTBPMWPDUDD-QGZVFWFLSA-N 1 3 276.399 3.046 20 0 CGADHO Cc1ccc2c(C[N@@H+]3CCCC[C@@H](CN)C3)c[nH]c2c1 ZINC001206615476 813376512 /nfs/dbraw/zinc/37/65/12/813376512.db2.gz DZNNHFXKTGLNEG-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1ccc2c(C[N@H+]3CCCC[C@@H](CN)C3)c[nH]c2c1 ZINC001206615476 813376519 /nfs/dbraw/zinc/37/65/19/813376519.db2.gz DZNNHFXKTGLNEG-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1ccc2c(CN3CCCC[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001206615476 813376523 /nfs/dbraw/zinc/37/65/23/813376523.db2.gz DZNNHFXKTGLNEG-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1onc(-c2ccccc2)c1CN1CCCC[C@H](C[NH3+])C1 ZINC001206624030 813377949 /nfs/dbraw/zinc/37/79/49/813377949.db2.gz QPYPBXUEVANLAW-OAHLLOKOSA-N 1 3 299.418 3.211 20 0 CGADHO NC[C@@H]1CCCC[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206633143 813380454 /nfs/dbraw/zinc/38/04/54/813380454.db2.gz UPYZUKQUVWSPCL-INIZCTEOSA-N 1 3 283.419 3.038 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001206633143 813380462 /nfs/dbraw/zinc/38/04/62/813380462.db2.gz UPYZUKQUVWSPCL-INIZCTEOSA-N 1 3 283.419 3.038 20 0 CGADHO CCCc1ccc(CN2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206768978 813432281 /nfs/dbraw/zinc/43/22/81/813432281.db2.gz MEUKRSFGYIOQLC-RHSMWYFYSA-N 1 3 260.425 3.198 20 0 CGADHO CC[NH+]1C[C@@H]2CN(CCCc3ccc(Cl)cc3)C[C@H]2C1 ZINC001207597854 813606091 /nfs/dbraw/zinc/60/60/91/813606091.db2.gz STRWRTNNBCLPRE-HZPDHXFCSA-N 1 3 292.854 3.156 20 0 CGADHO CCC[N@H+]1C[C@H]2CN(C[C@@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914675 813671721 /nfs/dbraw/zinc/67/17/21/813671721.db2.gz XEAIKQXXDVLDHK-NXHRZFHOSA-N 1 3 272.436 3.064 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN(C[C@@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914675 813671724 /nfs/dbraw/zinc/67/17/24/813671724.db2.gz XEAIKQXXDVLDHK-NXHRZFHOSA-N 1 3 272.436 3.064 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914675 813671729 /nfs/dbraw/zinc/67/17/29/813671729.db2.gz XEAIKQXXDVLDHK-NXHRZFHOSA-N 1 3 272.436 3.064 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C[C@@H](C)c3ccccc3)C[C@@H]2C1 ZINC001207914675 813671732 /nfs/dbraw/zinc/67/17/32/813671732.db2.gz XEAIKQXXDVLDHK-NXHRZFHOSA-N 1 3 272.436 3.064 20 0 CGADHO CCC[N@H+](CCCN(C)C)CCc1c(F)cccc1F ZINC001208117830 813696600 /nfs/dbraw/zinc/69/66/00/813696600.db2.gz HILDPZHLOPWZSL-UHFFFAOYSA-N 1 3 284.394 3.171 20 0 CGADHO CCC[N@@H+](CCCN(C)C)CCc1c(F)cccc1F ZINC001208117830 813696603 /nfs/dbraw/zinc/69/66/03/813696603.db2.gz HILDPZHLOPWZSL-UHFFFAOYSA-N 1 3 284.394 3.171 20 0 CGADHO CN(CCc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208613126 813775912 /nfs/dbraw/zinc/77/59/12/813775912.db2.gz PNSRQZFPWVAIBG-HNNXBMFYSA-N 1 3 280.843 3.156 20 0 CGADHO CN(CCc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208613126 813775916 /nfs/dbraw/zinc/77/59/16/813775916.db2.gz PNSRQZFPWVAIBG-HNNXBMFYSA-N 1 3 280.843 3.156 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC001208882091 813879746 /nfs/dbraw/zinc/87/97/46/813879746.db2.gz HSVOHSNUDUCCPY-BBWFWOEESA-N 1 3 278.440 3.018 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC001208882091 813879758 /nfs/dbraw/zinc/87/97/58/813879758.db2.gz HSVOHSNUDUCCPY-BBWFWOEESA-N 1 3 278.440 3.018 20 0 CGADHO CC/C=C\CCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001209286606 813993631 /nfs/dbraw/zinc/99/36/31/813993631.db2.gz HSZWPKCGEPUHAB-WAYWQWQTSA-N 1 3 295.515 3.082 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC001209380554 814006547 /nfs/dbraw/zinc/00/65/47/814006547.db2.gz XUDIATGZEMSCPJ-BJWYYQGGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)C[C@H](C)O1 ZINC001209380554 814006549 /nfs/dbraw/zinc/00/65/49/814006549.db2.gz XUDIATGZEMSCPJ-BJWYYQGGSA-N 1 3 294.483 3.140 20 0 CGADHO F[C@@H]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450336 814047588 /nfs/dbraw/zinc/04/75/88/814047588.db2.gz GLPKXCSAGHKXCO-MRXNPFEDSA-N 1 3 282.447 3.467 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620727 816480381 /nfs/dbraw/zinc/48/03/81/816480381.db2.gz YLPANBWJWBOTQS-XJKSGUPXSA-N 1 3 286.444 3.394 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620727 816480382 /nfs/dbraw/zinc/48/03/82/816480382.db2.gz YLPANBWJWBOTQS-XJKSGUPXSA-N 1 3 286.444 3.394 20 0 CGADHO Cc1sc2ccccc2c1CN1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620727 816480383 /nfs/dbraw/zinc/48/03/83/816480383.db2.gz YLPANBWJWBOTQS-XJKSGUPXSA-N 1 3 286.444 3.394 20 0 CGADHO CC[NH+](CC)Cc1ccccc1-c1ccc2c(n1)CNCC2 ZINC001243339394 823353413 /nfs/dbraw/zinc/35/34/13/823353413.db2.gz KVYBFGRTMXLUEQ-UHFFFAOYSA-N 1 3 295.430 3.236 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC12CCNCC2 ZINC001235103005 819002362 /nfs/dbraw/zinc/00/23/62/819002362.db2.gz PWACOOMFLBCTTN-HNNXBMFYSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC12CCNCC2 ZINC001235103005 819002367 /nfs/dbraw/zinc/00/23/67/819002367.db2.gz PWACOOMFLBCTTN-HNNXBMFYSA-N 1 3 250.430 3.197 20 0 CGADHO CC/C=C\CCCCC[N@@H+]1CCC12CCNCC2 ZINC001235102495 819002686 /nfs/dbraw/zinc/00/26/86/819002686.db2.gz OGUHWKOHWSOOOH-ARJAWSKDSA-N 1 3 250.430 3.341 20 0 CGADHO CC/C=C\CCCCC[N@H+]1CCC12CCNCC2 ZINC001235102495 819002690 /nfs/dbraw/zinc/00/26/90/819002690.db2.gz OGUHWKOHWSOOOH-ARJAWSKDSA-N 1 3 250.430 3.341 20 0 CGADHO CC/C=C\CCCCCN1CCC12CC[NH2+]CC2 ZINC001235102495 819002696 /nfs/dbraw/zinc/00/26/96/819002696.db2.gz OGUHWKOHWSOOOH-ARJAWSKDSA-N 1 3 250.430 3.341 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209302 819037802 /nfs/dbraw/zinc/03/78/02/819037802.db2.gz LWCBBOGIAUZVMC-BBWFWOEESA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209302 819037810 /nfs/dbraw/zinc/03/78/10/819037810.db2.gz LWCBBOGIAUZVMC-BBWFWOEESA-N 1 3 264.457 3.443 20 0 CGADHO Cc1cccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235229925 819041900 /nfs/dbraw/zinc/04/19/00/819041900.db2.gz MRYMXEPWEYKOAD-KRWDZBQOSA-N 1 3 290.426 3.488 20 0 CGADHO [NH3+][C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2ccccc2)cc1 ZINC001235253678 819049956 /nfs/dbraw/zinc/04/99/56/819049956.db2.gz DCRLHDBFEOGJMD-FHWLQOOXSA-N 1 3 278.399 3.275 20 0 CGADHO Cc1c(C)c(C)c(CN(C)C2CC[NH2+]CC2)c(C)c1C ZINC001235465921 819106991 /nfs/dbraw/zinc/10/69/91/819106991.db2.gz KRWZVAJQDRFCPJ-UHFFFAOYSA-N 1 3 274.452 3.413 20 0 CGADHO Cc1ccc(C[N@@H+](C)C2CCNCC2)c2ccccc12 ZINC001235475190 819108729 /nfs/dbraw/zinc/10/87/29/819108729.db2.gz UYHURFVMWVVZAN-UHFFFAOYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@H+](C)C2CCNCC2)c2ccccc12 ZINC001235475190 819108734 /nfs/dbraw/zinc/10/87/34/819108734.db2.gz UYHURFVMWVVZAN-UHFFFAOYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(CN(C)C2CC[NH2+]CC2)c2ccccc12 ZINC001235475190 819108737 /nfs/dbraw/zinc/10/87/37/819108737.db2.gz UYHURFVMWVVZAN-UHFFFAOYSA-N 1 3 268.404 3.332 20 0 CGADHO CC[C@@H](N)C[NH+]1CCC2(CCc3ccc(C)cc32)CC1 ZINC001235609833 819125533 /nfs/dbraw/zinc/12/55/33/819125533.db2.gz ZRTVTALOKHORQX-MRXNPFEDSA-N 1 3 272.436 3.012 20 0 CGADHO C[C@@H](N)C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001235664603 819131759 /nfs/dbraw/zinc/13/17/59/819131759.db2.gz JOFCNRKANFFQHH-QGZVFWFLSA-N 1 3 294.442 3.416 20 0 CGADHO Cc1ccc(-c2ccc(CN3CCC[C@H](C[NH3+])C3)cc2)o1 ZINC001235675194 819135779 /nfs/dbraw/zinc/13/57/79/819135779.db2.gz KLDHTXUGYFFSEL-MRXNPFEDSA-N 1 3 284.403 3.426 20 0 CGADHO Fc1ccccc1C1CCN(CC2(F)CC[NH2+]CC2)CC1 ZINC001235681289 819139442 /nfs/dbraw/zinc/13/94/42/819139442.db2.gz XNIRQMRCFWSTEA-UHFFFAOYSA-N 1 3 294.389 3.097 20 0 CGADHO Cc1cc(CN(C)CCC2CC[NH2+]CC2)c(F)cc1F ZINC001235718356 819152333 /nfs/dbraw/zinc/15/23/33/819152333.db2.gz ZWQDVOJPASHSNS-UHFFFAOYSA-N 1 3 282.378 3.095 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccc(Cc3ccccc3)cc2)C1 ZINC001235750294 819160303 /nfs/dbraw/zinc/16/03/03/819160303.db2.gz OTXIZHBYDXINNK-LJQANCHMSA-N 1 3 280.415 3.058 20 0 CGADHO C[C@@H]1CC[N@H+](Cc2cc3c(s2)CNCC3)[C@H](C)C1 ZINC001235819230 819173578 /nfs/dbraw/zinc/17/35/78/819173578.db2.gz CAIYPASMWLEELM-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CC[N@@H+](Cc2cc3c(s2)CNCC3)[C@H](C)C1 ZINC001235819230 819173581 /nfs/dbraw/zinc/17/35/81/819173581.db2.gz CAIYPASMWLEELM-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](N)CC[C@@H]1C ZINC001235907760 819216985 /nfs/dbraw/zinc/21/69/85/819216985.db2.gz UGXXNULOEPZCCJ-GOEBONIOSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](N)CC[C@@H]1C ZINC001235907760 819216989 /nfs/dbraw/zinc/21/69/89/819216989.db2.gz UGXXNULOEPZCCJ-GOEBONIOSA-N 1 3 268.404 3.460 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930292 819227847 /nfs/dbraw/zinc/22/78/47/819227847.db2.gz VSZGTUAKABOKDF-CVEARBPZSA-N 1 3 272.436 3.025 20 0 CGADHO C[N@H+](CCCCCc1ccccc1)C[C@@H]1CCCNC1 ZINC001235952501 819242726 /nfs/dbraw/zinc/24/27/26/819242726.db2.gz YHWANMRLSZHNRW-GOSISDBHSA-N 1 3 274.452 3.331 20 0 CGADHO C[N@@H+](CCCCCc1ccccc1)C[C@@H]1CCCNC1 ZINC001235952501 819242732 /nfs/dbraw/zinc/24/27/32/819242732.db2.gz YHWANMRLSZHNRW-GOSISDBHSA-N 1 3 274.452 3.331 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2C[C@H](C)C[C@@H](N)C2)c(C)c1C ZINC001236046724 819285141 /nfs/dbraw/zinc/28/51/41/819285141.db2.gz HTVVAIOKIDWTDS-PIGZYNQJSA-N 1 3 274.452 3.398 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2C[C@H](C)C[C@@H](N)C2)c(C)c1C ZINC001236046724 819285146 /nfs/dbraw/zinc/28/51/46/819285146.db2.gz HTVVAIOKIDWTDS-PIGZYNQJSA-N 1 3 274.452 3.398 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCN[C@@H](C)C2)c2ccccc12 ZINC001236094331 819312851 /nfs/dbraw/zinc/31/28/51/819312851.db2.gz BMQLLUHPMINHKF-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@H+]2CCCN[C@@H](C)C2)c2ccccc12 ZINC001236094331 819312855 /nfs/dbraw/zinc/31/28/55/819312855.db2.gz BMQLLUHPMINHKF-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO CC[C@@H](N)C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236194242 819364493 /nfs/dbraw/zinc/36/44/93/819364493.db2.gz UVKFYQJHNRNJEL-MLGOLLRUSA-N 1 3 257.381 3.042 20 0 CGADHO CC[C@@H](N)C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236194242 819364500 /nfs/dbraw/zinc/36/45/00/819364500.db2.gz UVKFYQJHNRNJEL-MLGOLLRUSA-N 1 3 257.381 3.042 20 0 CGADHO CCc1cccc2c(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236213704 819376110 /nfs/dbraw/zinc/37/61/10/819376110.db2.gz BCYYJYBFTDIXQA-IAGOWNOFSA-N 1 3 285.435 3.432 20 0 CGADHO CCc1cccc2c(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236213704 819376118 /nfs/dbraw/zinc/37/61/18/819376118.db2.gz BCYYJYBFTDIXQA-IAGOWNOFSA-N 1 3 285.435 3.432 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[NH+]1CCCNCCC1 ZINC001236240058 819400093 /nfs/dbraw/zinc/40/00/93/819400093.db2.gz LAFUWLQBATVSGR-MRXNPFEDSA-N 1 3 284.488 3.293 20 0 CGADHO Clc1cccc(Cl)c1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314199 819421173 /nfs/dbraw/zinc/42/11/73/819421173.db2.gz KHBOYZZDXHPGSE-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO CCN(Cc1ccc2cccccc1-2)C[C@@H]1CC[NH2+]C1 ZINC001236410688 819457691 /nfs/dbraw/zinc/45/76/91/819457691.db2.gz JDKUQTDVHPGSKM-OAHLLOKOSA-N 1 3 268.404 3.223 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H](N)[C@H]2C)cc1 ZINC001236415531 819460925 /nfs/dbraw/zinc/46/09/25/819460925.db2.gz OOUOCGKFBGWPRQ-PBHICJAKSA-N 1 3 260.425 3.164 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H](N)[C@H]2C)cc1 ZINC001236415531 819460931 /nfs/dbraw/zinc/46/09/31/819460931.db2.gz OOUOCGKFBGWPRQ-PBHICJAKSA-N 1 3 260.425 3.164 20 0 CGADHO CCCC[C@H](CC)C[N@H+](CCOCC)C1CCNCC1 ZINC001236461439 819485752 /nfs/dbraw/zinc/48/57/52/819485752.db2.gz XCNVMBNQBIKUPB-INIZCTEOSA-N 1 3 284.488 3.293 20 0 CGADHO CCCC[C@H](CC)C[N@@H+](CCOCC)C1CCNCC1 ZINC001236461439 819485756 /nfs/dbraw/zinc/48/57/56/819485756.db2.gz XCNVMBNQBIKUPB-INIZCTEOSA-N 1 3 284.488 3.293 20 0 CGADHO Cc1cc(F)cc(CN(CC2CC2)C2CC[NH2+]CC2)c1 ZINC001236480401 819496711 /nfs/dbraw/zinc/49/67/11/819496711.db2.gz DFZWZVLRABGDSN-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cc(F)cc(C[N@H+](CC2CC2)C2CCNCC2)c1 ZINC001236480401 819496715 /nfs/dbraw/zinc/49/67/15/819496715.db2.gz DFZWZVLRABGDSN-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cc(F)cc(C[N@@H+](CC2CC2)C2CCNCC2)c1 ZINC001236480401 819496719 /nfs/dbraw/zinc/49/67/19/819496719.db2.gz DFZWZVLRABGDSN-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001236584894 819545282 /nfs/dbraw/zinc/54/52/82/819545282.db2.gz ZSYDCVGBRKWMEI-ULQDDVLXSA-N 1 3 276.468 3.443 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001236584894 819545288 /nfs/dbraw/zinc/54/52/88/819545288.db2.gz ZSYDCVGBRKWMEI-ULQDDVLXSA-N 1 3 276.468 3.443 20 0 CGADHO CCCN(Cc1cccc(OC(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833484 819613668 /nfs/dbraw/zinc/61/36/68/819613668.db2.gz CCSJFLFDCNHPQN-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO CCCN(Cc1cccc(CC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843855 819618454 /nfs/dbraw/zinc/61/84/54/819618454.db2.gz RQXYKVJGAGZUNA-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC001236950863 819638352 /nfs/dbraw/zinc/63/83/52/819638352.db2.gz QKQFZSSOPMVUGY-RBUKOAKNSA-N 1 3 286.463 3.331 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC001236950863 819638355 /nfs/dbraw/zinc/63/83/55/819638355.db2.gz QKQFZSSOPMVUGY-RBUKOAKNSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc3cccccc2-3)C1 ZINC001237079860 819662453 /nfs/dbraw/zinc/66/24/53/819662453.db2.gz CPEHVWIMUTVVME-GOSISDBHSA-N 1 3 268.404 3.352 20 0 CGADHO C[NH+]1CCC(C2CC[NH+](Cc3occc3[S-])CC2)CC1 ZINC001237191724 819694468 /nfs/dbraw/zinc/69/44/68/819694468.db2.gz OANXAZNSYOTTCL-UHFFFAOYSA-N 1 3 294.464 3.122 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237414959 819746986 /nfs/dbraw/zinc/74/69/86/819746986.db2.gz NQFYOJCTRKZWGD-FUHWJXTLSA-N 1 3 272.436 3.131 20 0 CGADHO CC(C)C1=NCCc2ccc(C3=CCC[NH2+]C3)cc21 ZINC001240670055 821231686 /nfs/dbraw/zinc/23/16/86/821231686.db2.gz DHQVIYMQOLVWJD-UHFFFAOYSA-N 1 3 254.377 3.065 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001460803341 937545908 /nfs/dbraw/zinc/54/59/08/937545908.db2.gz XFEWMJATSHSTQY-CQSZACIVSA-N 1 3 273.424 3.028 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001460803341 937545910 /nfs/dbraw/zinc/54/59/10/937545910.db2.gz XFEWMJATSHSTQY-CQSZACIVSA-N 1 3 273.424 3.028 20 0 CGADHO Cc1cc(CNC2CC[NH+](C3CC3)CC2)cc2cccnc12 ZINC001461010639 937559709 /nfs/dbraw/zinc/55/97/09/937559709.db2.gz CDIPGXOPZIRVGL-UHFFFAOYSA-N 1 3 295.430 3.260 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)[C@H]2C1 ZINC001461826121 937599621 /nfs/dbraw/zinc/59/96/21/937599621.db2.gz CXHXFGDHBBQRMM-XXQMMXQMSA-N 1 3 299.462 3.038 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C4CCC4)CC3)[C@@H]2C1 ZINC001461829503 937600560 /nfs/dbraw/zinc/60/05/60/937600560.db2.gz LBHNUQLUJCGKEJ-WCUWXVSDSA-N 1 3 276.468 3.275 20 0 CGADHO Cc1cc(C)c([C@H](C)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001307978423 933029142 /nfs/dbraw/zinc/02/91/42/933029142.db2.gz OSTZCDLZPBEBBS-LISAXSMJSA-N 1 3 272.436 3.165 20 0 CGADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1[C@@H]1C=CCCCCC1 ZINC001308089165 933046186 /nfs/dbraw/zinc/04/61/86/933046186.db2.gz KSOURKATZGYUEX-SJLPKXTDSA-N 1 3 285.435 3.481 20 0 CGADHO C[C@H](COCC1CCCCC1)[NH2+]CC[C@@H]1CCCN1C ZINC001308092086 933047587 /nfs/dbraw/zinc/04/75/87/933047587.db2.gz FFLNPCPRTFLMBU-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](COCC1CCCCC1)NCC[C@@H]1CCC[N@@H+]1C ZINC001308092086 933047591 /nfs/dbraw/zinc/04/75/91/933047591.db2.gz FFLNPCPRTFLMBU-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](COCC1CCCCC1)NCC[C@@H]1CCC[N@H+]1C ZINC001308092086 933047596 /nfs/dbraw/zinc/04/75/96/933047596.db2.gz FFLNPCPRTFLMBU-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CCc1cccc(C[N@H+](C)CC(C)(C)CN(C)C)c1 ZINC001462639967 937656237 /nfs/dbraw/zinc/65/62/37/937656237.db2.gz YTJOISPDGICNHX-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO CCc1cccc(C[N@@H+](C)CC(C)(C)CN(C)C)c1 ZINC001462639967 937656239 /nfs/dbraw/zinc/65/62/39/937656239.db2.gz YTJOISPDGICNHX-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001319753550 933927469 /nfs/dbraw/zinc/92/74/69/933927469.db2.gz DKFQSSRYYCOLFY-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001319753550 933927470 /nfs/dbraw/zinc/92/74/70/933927470.db2.gz DKFQSSRYYCOLFY-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO CCN1CCN(c2c(C)c[nH+]c3ccccc32)C[C@@H]1C ZINC001322967010 934352879 /nfs/dbraw/zinc/35/28/79/934352879.db2.gz SNECFJNGAMLKET-AWEZNQCLSA-N 1 3 269.392 3.074 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC001324762293 934564151 /nfs/dbraw/zinc/56/41/51/934564151.db2.gz BMYBVZXPVKIPQP-CVEARBPZSA-N 1 3 289.467 3.135 20 0 CGADHO C(C1CC2(CCC2)C1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001473173647 937796086 /nfs/dbraw/zinc/79/60/86/937796086.db2.gz MEUKRRIENQYQBJ-MRXNPFEDSA-N 1 3 276.468 3.375 20 0 CGADHO C(C1CC2(CCC2)C1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001473173647 937796087 /nfs/dbraw/zinc/79/60/87/937796087.db2.gz MEUKRRIENQYQBJ-MRXNPFEDSA-N 1 3 276.468 3.375 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001329364096 935208854 /nfs/dbraw/zinc/20/88/54/935208854.db2.gz PIMWRFJCULZCBM-PBHICJAKSA-N 1 3 281.403 3.074 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001329364096 935208857 /nfs/dbraw/zinc/20/88/57/935208857.db2.gz PIMWRFJCULZCBM-PBHICJAKSA-N 1 3 281.403 3.074 20 0 CGADHO C[C@H](COc1ccccc1F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001331516912 935387690 /nfs/dbraw/zinc/38/76/90/935387690.db2.gz AUVCFMDNZVLXBX-KGLIPLIRSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@H](COc1ccccc1F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001331516912 935387692 /nfs/dbraw/zinc/38/76/92/935387692.db2.gz AUVCFMDNZVLXBX-KGLIPLIRSA-N 1 3 294.414 3.055 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C(F)F)c(F)c1 ZINC001334774825 936112993 /nfs/dbraw/zinc/11/29/93/936112993.db2.gz PJGDNOZUUKRQHO-RISCZKNCSA-N 1 3 286.341 3.370 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(c3ccnc4ccccc43)C[C@H]2C1 ZINC001335132960 936131169 /nfs/dbraw/zinc/13/11/69/936131169.db2.gz ZROUXXYFSCEJBQ-ARFHVFGLSA-N 1 3 295.430 3.401 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001473964582 937832661 /nfs/dbraw/zinc/83/26/61/937832661.db2.gz FLHRXLQGAOCXAV-OAHLLOKOSA-N 1 3 280.843 3.470 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001474301159 937849159 /nfs/dbraw/zinc/84/91/59/937849159.db2.gz GIXFJROFOCQOQH-YXYCDRMUSA-N 1 3 278.484 3.379 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3ccc(F)cc3)C1)[NH2+]2 ZINC001550473956 938166672 /nfs/dbraw/zinc/16/66/72/938166672.db2.gz XHGZAMUEMATOBD-JOMSHVRNSA-N 1 3 288.410 3.190 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551237999 938178348 /nfs/dbraw/zinc/17/83/48/938178348.db2.gz FVIOSCHXWOXAFH-ZLZJIPBDSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC1CC(c2ccccc2)C1 ZINC001553023593 938195791 /nfs/dbraw/zinc/19/57/91/938195791.db2.gz YGUGZRJMHVZASB-YOHUBWIESA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC001553023593 938195792 /nfs/dbraw/zinc/19/57/92/938195792.db2.gz YGUGZRJMHVZASB-YOHUBWIESA-N 1 3 284.447 3.299 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001553026656 938196101 /nfs/dbraw/zinc/19/61/01/938196101.db2.gz WSAOEBSQGSIERE-HOAMVYINSA-N 1 3 290.373 3.085 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(F)ccc1N(C)C ZINC001560812481 938277689 /nfs/dbraw/zinc/27/76/89/938277689.db2.gz UGEIDPCGWYPXAO-UHFFFAOYSA-N 1 3 295.446 3.055 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(F)ccc1N(C)C ZINC001560812481 938277690 /nfs/dbraw/zinc/27/76/90/938277690.db2.gz UGEIDPCGWYPXAO-UHFFFAOYSA-N 1 3 295.446 3.055 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814150 938277778 /nfs/dbraw/zinc/27/77/78/938277778.db2.gz QNZJIWLBXDIUHQ-WFASDCNBSA-N 1 3 289.448 3.068 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814150 938277779 /nfs/dbraw/zinc/27/77/79/938277779.db2.gz QNZJIWLBXDIUHQ-WFASDCNBSA-N 1 3 289.448 3.068 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001561055596 938292309 /nfs/dbraw/zinc/29/23/09/938292309.db2.gz QSFUQVWKJPFAHI-FXUDXRNXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@H]([NH2+]CC(C)(C)N)c1ccc(Cl)cc1 ZINC000261562958 957685336 /nfs/dbraw/zinc/68/53/36/957685336.db2.gz WTTUCOMUXJEFFZ-ZDUSSCGKSA-N 1 3 254.805 3.364 20 0 CGADHO CCC[NH+]1CCC(N(C)CCc2ccc(F)cc2)CC1 ZINC001258775116 960428919 /nfs/dbraw/zinc/42/89/19/960428919.db2.gz AGGZICASDXWKGI-UHFFFAOYSA-N 1 3 278.415 3.174 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@@H]1C[NH2+]CC12CC(C1)CN2 ZINC001575120100 962354791 /nfs/dbraw/zinc/35/47/91/962354791.db2.gz QRTPEWWSOWTBFS-GYMHETDLSA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC001575120100 962354808 /nfs/dbraw/zinc/35/48/08/962354808.db2.gz QRTPEWWSOWTBFS-GYMHETDLSA-N 1 3 264.457 3.181 20 0 CGADHO C[C@@H](c1ccc(F)nc1)N1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001576302184 962444977 /nfs/dbraw/zinc/44/49/77/962444977.db2.gz SFMHVLDFBFIIHJ-DZGCQCFKSA-N 1 3 291.414 3.123 20 0 CGADHO C[C@@H](NC[C@H]1[C@H](c2ccccc2)C1(F)F)[C@H]1CCC[NH2+]C1 ZINC001576246445 962453744 /nfs/dbraw/zinc/45/37/44/962453744.db2.gz WLQWYUSPHZSMAE-OEAJRASXSA-N 1 3 294.389 3.013 20 0 CGADHO CCC(CC)(C[NH3+])CN1CCc2c(C)cccc2C1 ZINC001577051122 962507644 /nfs/dbraw/zinc/50/76/44/962507644.db2.gz IDADPMLTGQXTSA-UHFFFAOYSA-N 1 3 260.425 3.118 20 0 CGADHO CCC1([NH3+])CCN(C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC001577230338 962516737 /nfs/dbraw/zinc/51/67/37/962516737.db2.gz HASYRNBYIJMNNL-IAGOWNOFSA-N 1 3 272.436 3.384 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)CNCC2 ZINC001577419688 962544654 /nfs/dbraw/zinc/54/46/54/962544654.db2.gz XRIOTKNVFCYXSE-CHWSQXEVSA-N 1 3 293.480 3.237 20 0 CGADHO COc1cccc(CCC[N@@H+]2CCC[C@@H](C)[C@H]2CCN)c1 ZINC001579273892 962622902 /nfs/dbraw/zinc/62/29/02/962622902.db2.gz ILBCASUWOIAIBI-CRAIPNDOSA-N 1 3 290.451 3.077 20 0 CGADHO COc1cccc(CCC[N@H+]2CCC[C@@H](C)[C@H]2CCN)c1 ZINC001579273892 962622909 /nfs/dbraw/zinc/62/29/09/962622909.db2.gz ILBCASUWOIAIBI-CRAIPNDOSA-N 1 3 290.451 3.077 20 0 CGADHO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](CN)C(C)C)C2)cc1 ZINC001579678226 962654695 /nfs/dbraw/zinc/65/46/95/962654695.db2.gz IVSZIEKWUWGIQZ-IAGOWNOFSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccc([C@@H]2CC[N@H+](C[C@@H](CN)C(C)C)C2)cc1 ZINC001579678226 962654703 /nfs/dbraw/zinc/65/47/03/962654703.db2.gz IVSZIEKWUWGIQZ-IAGOWNOFSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccccc1C1CC(NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001579795435 962672270 /nfs/dbraw/zinc/67/22/70/962672270.db2.gz SJMZHAVOECZBQY-SHARSMKWSA-N 1 3 294.389 3.075 20 0 CGADHO Cc1ccccc1SC[C@@H](C)C[N@@H+]1CCCNCC1 ZINC001579804359 962678173 /nfs/dbraw/zinc/67/81/73/962678173.db2.gz AWOCQZPBZGGHLT-AWEZNQCLSA-N 1 3 278.465 3.019 20 0 CGADHO Cc1ccccc1SC[C@@H](C)C[N@H+]1CCCNCC1 ZINC001579804359 962678188 /nfs/dbraw/zinc/67/81/88/962678188.db2.gz AWOCQZPBZGGHLT-AWEZNQCLSA-N 1 3 278.465 3.019 20 0 CGADHO Cc1ccccc1OCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC001579804874 962681194 /nfs/dbraw/zinc/68/11/94/962681194.db2.gz PMIKBWUAGGLNKB-ULQDDVLXSA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC001579804874 962681205 /nfs/dbraw/zinc/68/12/05/962681205.db2.gz PMIKBWUAGGLNKB-ULQDDVLXSA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC001579804874 962681214 /nfs/dbraw/zinc/68/12/14/962681214.db2.gz PMIKBWUAGGLNKB-ULQDDVLXSA-N 1 3 290.451 3.069 20 0 CGADHO c1c2ccccc2[nH]c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001580895616 962739286 /nfs/dbraw/zinc/73/92/86/962739286.db2.gz OXVNBPHFGFENLM-QGZVFWFLSA-N 1 3 283.419 3.132 20 0 CGADHO COC[C@H](CC(C)(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000651731778 398278255 /nfs/dbraw/zinc/27/82/55/398278255.db2.gz YILHEPHMUCDEGN-INIZCTEOSA-N 1 3 296.499 3.434 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1cc2cnccc2o1 ZINC000651809346 398290829 /nfs/dbraw/zinc/29/08/29/398290829.db2.gz UQHPVKMKERRZHX-UHFFFAOYSA-N 1 3 287.407 3.136 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2cnccc2o1 ZINC000651809346 398290830 /nfs/dbraw/zinc/29/08/30/398290830.db2.gz UQHPVKMKERRZHX-UHFFFAOYSA-N 1 3 287.407 3.136 20 0 CGADHO CCc1ccc([C@@H](C)NCCC2CC[NH+](C)CC2)o1 ZINC000125490006 187188126 /nfs/dbraw/zinc/18/81/26/187188126.db2.gz JZINDMMQMKXVFJ-CYBMUJFWSA-N 1 3 264.413 3.225 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000651866222 398298789 /nfs/dbraw/zinc/29/87/89/398298789.db2.gz ZWRZNTVUCPRPCU-KZNAEPCWSA-N 1 3 296.499 3.149 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000651873657 398299660 /nfs/dbraw/zinc/29/96/60/398299660.db2.gz QGXCBHPVSYOZIA-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000651873657 398299663 /nfs/dbraw/zinc/29/96/63/398299663.db2.gz QGXCBHPVSYOZIA-UHFFFAOYSA-N 1 3 288.435 3.146 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000651866079 398299096 /nfs/dbraw/zinc/29/90/96/398299096.db2.gz UBMBOZZACOBAIB-INIZCTEOSA-N 1 3 292.467 3.281 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H](C)CCc1ccc(O)cc1 ZINC000651866079 398299098 /nfs/dbraw/zinc/29/90/98/398299098.db2.gz UBMBOZZACOBAIB-INIZCTEOSA-N 1 3 292.467 3.281 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)CCc1ccc(O)cc1 ZINC000651866079 398299099 /nfs/dbraw/zinc/29/90/99/398299099.db2.gz UBMBOZZACOBAIB-INIZCTEOSA-N 1 3 292.467 3.281 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CCSC1)C1CCCCC1 ZINC000651910587 398305631 /nfs/dbraw/zinc/30/56/31/398305631.db2.gz ZTBCZJOKWRUVRH-CQSZACIVSA-N 1 3 270.486 3.126 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CCSC1)C1CCCCC1 ZINC000651910587 398305633 /nfs/dbraw/zinc/30/56/33/398305633.db2.gz ZTBCZJOKWRUVRH-CQSZACIVSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000652038820 398319477 /nfs/dbraw/zinc/31/94/77/398319477.db2.gz OOTGPTDPFFUSLZ-CQSZACIVSA-N 1 3 278.440 3.151 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000423457045 529453608 /nfs/dbraw/zinc/45/36/08/529453608.db2.gz FEKKFFQKRMNOIA-STQMWFEESA-N 1 3 285.229 3.227 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000341403553 282194824 /nfs/dbraw/zinc/19/48/24/282194824.db2.gz NFGANUVPELRFIH-MDMSPXHWSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423486586 529568901 /nfs/dbraw/zinc/56/89/01/529568901.db2.gz ZOMSWKUAVIJMQR-ZIAGYGMSSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000423457041 529569290 /nfs/dbraw/zinc/56/92/90/529569290.db2.gz FEKKFFQKRMNOIA-CHWSQXEVSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(Br)c1 ZINC000423280376 529611616 /nfs/dbraw/zinc/61/16/16/529611616.db2.gz UATVBXWAFWPKJR-KGLIPLIRSA-N 1 3 299.256 3.473 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283708 529611782 /nfs/dbraw/zinc/61/17/82/529611782.db2.gz XIXVEXOUPJHRFY-KGLIPLIRSA-N 1 3 286.366 3.312 20 0 CGADHO COc1ccc(C)cc1CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623343212 349783380 /nfs/dbraw/zinc/78/33/80/349783380.db2.gz GBSZIRIJVBVRHP-INIZCTEOSA-N 1 3 290.451 3.009 20 0 CGADHO COc1ccc(C)cc1CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623343212 349783387 /nfs/dbraw/zinc/78/33/87/349783387.db2.gz GBSZIRIJVBVRHP-INIZCTEOSA-N 1 3 290.451 3.009 20 0 CGADHO COc1cc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)ccc1Cl ZINC000623358469 349788428 /nfs/dbraw/zinc/78/84/28/349788428.db2.gz BJHVKTGBEHCKBY-HUUCEWRRSA-N 1 3 294.826 3.065 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(OC(F)F)cc1 ZINC000423453465 529666580 /nfs/dbraw/zinc/66/65/80/529666580.db2.gz XQYGEHRLAKYGRB-CWSCBRNRSA-N 1 3 272.339 3.064 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119308 282256392 /nfs/dbraw/zinc/25/63/92/282256392.db2.gz BPFVSVHUDSEWON-IRXDYDNUSA-N 1 3 294.483 3.284 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119308 282256393 /nfs/dbraw/zinc/25/63/93/282256393.db2.gz BPFVSVHUDSEWON-IRXDYDNUSA-N 1 3 294.483 3.284 20 0 CGADHO Cc1csc([C@@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623491002 349819310 /nfs/dbraw/zinc/81/93/10/349819310.db2.gz AFDLSMCBQWHDON-WCQYABFASA-N 1 3 281.469 3.017 20 0 CGADHO Cc1csc([C@@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491002 349819313 /nfs/dbraw/zinc/81/93/13/349819313.db2.gz AFDLSMCBQWHDON-WCQYABFASA-N 1 3 281.469 3.017 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000623656597 349858776 /nfs/dbraw/zinc/85/87/76/349858776.db2.gz YBOVSUGIOMCJSJ-GJBHZFNWSA-N 1 3 258.409 3.021 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H]2CCCc3scnc32)CC1 ZINC000623887667 349905597 /nfs/dbraw/zinc/90/55/97/349905597.db2.gz JSECOULQIDMREK-CQSZACIVSA-N 1 3 293.480 3.232 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](CSc1ccccc1)C(C)C ZINC000423281634 529999449 /nfs/dbraw/zinc/99/94/49/529999449.db2.gz VVYBULYEITYZOW-HOCLYGCPSA-N 1 3 280.481 3.248 20 0 CGADHO Cc1cccc(OCCN2CCC(CC[NH+](C)C)CC2)c1 ZINC000056522794 345166662 /nfs/dbraw/zinc/16/66/62/345166662.db2.gz GBTKGQGDENJZTN-UHFFFAOYSA-N 1 3 290.451 3.038 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000071120160 345401571 /nfs/dbraw/zinc/40/15/71/345401571.db2.gz KBBKJRIZVKSTGR-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000078563605 345613889 /nfs/dbraw/zinc/61/38/89/345613889.db2.gz ZGHSVIJEFQPGBA-OAHLLOKOSA-N 1 3 283.419 3.403 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000078563605 345613890 /nfs/dbraw/zinc/61/38/90/345613890.db2.gz ZGHSVIJEFQPGBA-OAHLLOKOSA-N 1 3 283.419 3.403 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000079651890 345650386 /nfs/dbraw/zinc/65/03/86/345650386.db2.gz PMPJHPDSDQAMIP-CQSZACIVSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000113515675 345961079 /nfs/dbraw/zinc/96/10/79/345961079.db2.gz CTBQGKXWRXQOOV-GOSISDBHSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)Cc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000113515675 345961080 /nfs/dbraw/zinc/96/10/80/345961080.db2.gz CTBQGKXWRXQOOV-GOSISDBHSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000125082669 346015378 /nfs/dbraw/zinc/01/53/78/346015378.db2.gz SVICTPASSCRXNV-INIZCTEOSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000246886526 346365431 /nfs/dbraw/zinc/36/54/31/346365431.db2.gz DCZZPSORQQTXHW-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO CCN1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000394556375 346576880 /nfs/dbraw/zinc/57/68/80/346576880.db2.gz CUVOFORPRIXJCR-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000128492406 187374207 /nfs/dbraw/zinc/37/42/07/187374207.db2.gz CBDMDOFZRYGWTL-OAHLLOKOSA-N 1 3 250.430 3.053 20 0 CGADHO Cc1ccc(SCCN2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000351852276 219226463 /nfs/dbraw/zinc/22/64/63/219226463.db2.gz MHMDJICSMHYCNV-LSDHHAIUSA-N 1 3 278.465 3.065 20 0 CGADHO CSCC1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000599069617 347713897 /nfs/dbraw/zinc/71/38/97/347713897.db2.gz HXTPGFGPFHZLLI-PCKAHOCUSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000351863940 219230803 /nfs/dbraw/zinc/23/08/03/219230803.db2.gz VWVWURQEEPAOMI-CRAIPNDOSA-N 1 3 298.430 3.278 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000602023452 347934359 /nfs/dbraw/zinc/93/43/59/347934359.db2.gz XIQIKAHBHXWSDF-YMAMQOFZSA-N 1 3 284.513 3.276 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000624120547 349977621 /nfs/dbraw/zinc/97/76/21/349977621.db2.gz BLUWSAKSZCLRES-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120833 349978730 /nfs/dbraw/zinc/97/87/30/349978730.db2.gz HWVGLBYSWUOJBU-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120833 349978732 /nfs/dbraw/zinc/97/87/32/349978732.db2.gz HWVGLBYSWUOJBU-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120833 349978736 /nfs/dbraw/zinc/97/87/36/349978736.db2.gz HWVGLBYSWUOJBU-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000624122108 349980023 /nfs/dbraw/zinc/98/00/23/349980023.db2.gz JXVHOIUWXXTTRB-DOTOQJQBSA-N 1 3 288.435 3.222 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1N(C)C ZINC000624122194 349980051 /nfs/dbraw/zinc/98/00/51/349980051.db2.gz MAZRJTKKQDWAJF-HOTGVXAUSA-N 1 3 289.467 3.135 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000624123040 349981053 /nfs/dbraw/zinc/98/10/53/349981053.db2.gz DQGISFVEDMBVSG-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)CCCCC1 ZINC000624123402 349982427 /nfs/dbraw/zinc/98/24/27/349982427.db2.gz LESDYAQXJDNZLA-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000624123042 349982042 /nfs/dbraw/zinc/98/20/42/349982042.db2.gz DQGISFVEDMBVSG-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc2cnccc2o1 ZINC000624123227 349982465 /nfs/dbraw/zinc/98/24/65/349982465.db2.gz IGYODDDORIPUGZ-KGLIPLIRSA-N 1 3 287.407 3.210 20 0 CGADHO CN(CCc1ccccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358156 348235474 /nfs/dbraw/zinc/23/54/74/348235474.db2.gz IUMYEPCNXXZUJW-CQSZACIVSA-N 1 3 280.843 3.156 20 0 CGADHO CN(CCc1ccccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358156 348235478 /nfs/dbraw/zinc/23/54/78/348235478.db2.gz IUMYEPCNXXZUJW-CQSZACIVSA-N 1 3 280.843 3.156 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054975 233048927 /nfs/dbraw/zinc/04/89/27/233048927.db2.gz BIJOWRVEUMPBEW-LBTNJELSSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(C)CC3)CC2)C1 ZINC000358176342 233072247 /nfs/dbraw/zinc/07/22/47/233072247.db2.gz OFKXPUKHFSCNKE-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(C)CC2)CC1 ZINC000358180581 233073872 /nfs/dbraw/zinc/07/38/72/233073872.db2.gz AQCVDAVGVXVFAO-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C)CC2)CC1 ZINC000358180581 233073874 /nfs/dbraw/zinc/07/38/74/233073874.db2.gz AQCVDAVGVXVFAO-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO CN(C)Cc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000628232731 350454140 /nfs/dbraw/zinc/45/41/40/350454140.db2.gz LPUWAMMAHHSWGI-MRXNPFEDSA-N 1 3 278.465 3.124 20 0 CGADHO C[C@@H](CC[NH2+]C[C@]1(C)CCCS1)N1CCCCC1 ZINC000628237221 350458607 /nfs/dbraw/zinc/45/86/07/350458607.db2.gz GDRCJUZRBKNRLD-GJZGRUSLSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353284 350514658 /nfs/dbraw/zinc/51/46/58/350514658.db2.gz PMLMULMXQRBYDT-JSGCOSHPSA-N 1 3 286.410 3.132 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000628425853 350536894 /nfs/dbraw/zinc/53/68/94/350536894.db2.gz XPUUZSULCFHUSQ-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNCCc2cccc(Cl)c2)C1 ZINC000628425853 350536896 /nfs/dbraw/zinc/53/68/96/350536896.db2.gz XPUUZSULCFHUSQ-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@H+]1CCCC[C@H](CNCCc2cccc(Cl)c2)C1 ZINC000628425853 350536899 /nfs/dbraw/zinc/53/68/99/350536899.db2.gz XPUUZSULCFHUSQ-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000629531439 350704402 /nfs/dbraw/zinc/70/44/02/350704402.db2.gz LBKDKNPVVUCUQM-WCXIOVBPSA-N 1 3 282.472 3.220 20 0 CGADHO CCc1c2ccccc2oc1[C@@H](C)NCCOCCC[NH3+] ZINC000629538967 350706491 /nfs/dbraw/zinc/70/64/91/350706491.db2.gz OJLNCIQAOOJWJY-CYBMUJFWSA-N 1 3 290.407 3.011 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629549087 350711293 /nfs/dbraw/zinc/71/12/93/350711293.db2.gz QCNGDPOLYXBSSL-MAZHCROVSA-N 1 3 278.827 3.434 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000629554651 350712085 /nfs/dbraw/zinc/71/20/85/350712085.db2.gz LVWFWHDRFAFVHZ-OCCSQVGLSA-N 1 3 273.424 3.080 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCCC3(CC3)CC1)CNCC2 ZINC000629587120 350714998 /nfs/dbraw/zinc/71/49/98/350714998.db2.gz YJZDVKYVGCVESZ-UHFFFAOYSA-N 1 3 270.420 3.098 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCCC3(CC3)CC1)CNCC2 ZINC000629587120 350715002 /nfs/dbraw/zinc/71/50/02/350715002.db2.gz YJZDVKYVGCVESZ-UHFFFAOYSA-N 1 3 270.420 3.098 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cnc3ccc(C)cc3c2)CC1 ZINC000629521972 350701466 /nfs/dbraw/zinc/70/14/66/350701466.db2.gz ZZSSSUFGGNPVHA-UHFFFAOYSA-N 1 3 297.446 3.365 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000631659525 351108991 /nfs/dbraw/zinc/10/89/91/351108991.db2.gz RPAIVYGCXBNLLG-ZBFHGGJFSA-N 1 3 278.415 3.235 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631564256 351067914 /nfs/dbraw/zinc/06/79/14/351067914.db2.gz GVCVYESMDDCABL-GOSISDBHSA-N 1 3 287.451 3.171 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000634732795 351578634 /nfs/dbraw/zinc/57/86/34/351578634.db2.gz OXTXGMGLMMXBCT-INIZCTEOSA-N 1 3 294.483 3.094 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000635004098 351622892 /nfs/dbraw/zinc/62/28/92/351622892.db2.gz NDFOIICMQOMILC-QBPKDAKJSA-N 1 3 258.409 3.182 20 0 CGADHO c1cc(C[NH2+][C@H]2CCCC23CCC3)c2c(c1)CNCC2 ZINC000635006281 351624671 /nfs/dbraw/zinc/62/46/71/351624671.db2.gz BNWNVHNBJJHARX-KRWDZBQOSA-N 1 3 270.420 3.145 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006813 351624757 /nfs/dbraw/zinc/62/47/57/351624757.db2.gz MWKWHETYKKGYLS-OCCSQVGLSA-N 1 3 288.357 3.267 20 0 CGADHO FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000635006216 351624784 /nfs/dbraw/zinc/62/47/84/351624784.db2.gz BEHWZYHBJVLXGA-KBXCAEBGSA-N 1 3 290.426 3.340 20 0 CGADHO C[C@H](Cc1cccs1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008463 351626340 /nfs/dbraw/zinc/62/63/40/351626340.db2.gz DREUCPAOZNDCJD-CHWSQXEVSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635008463 351626343 /nfs/dbraw/zinc/62/63/43/351626343.db2.gz DREUCPAOZNDCJD-CHWSQXEVSA-N 1 3 266.454 3.047 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008386 351626715 /nfs/dbraw/zinc/62/67/15/351626715.db2.gz DGIDKLMTPWTEBD-STQMWFEESA-N 1 3 266.454 3.485 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc2[nH]ccc21 ZINC000635012004 351630410 /nfs/dbraw/zinc/63/04/10/351630410.db2.gz IQDQJQXSJHLJFE-LIRRHRJNSA-N 1 3 293.414 3.216 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CC(C)(C)c2ccccc2)CC1 ZINC000365451589 234104116 /nfs/dbraw/zinc/10/41/16/234104116.db2.gz BOUYDDTUINXLPS-KRWDZBQOSA-N 1 3 274.452 3.380 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)CC1 ZINC000365451589 234104121 /nfs/dbraw/zinc/10/41/21/234104121.db2.gz BOUYDDTUINXLPS-KRWDZBQOSA-N 1 3 274.452 3.380 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CC(C)(C)c2ccccc2)CC1 ZINC000365451589 234104124 /nfs/dbraw/zinc/10/41/24/234104124.db2.gz BOUYDDTUINXLPS-KRWDZBQOSA-N 1 3 274.452 3.380 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCCSc2ccc(Cl)cc21 ZINC000423296029 295892536 /nfs/dbraw/zinc/89/25/36/295892536.db2.gz GAFODZRYTMUNQX-GWCFXTLKSA-N 1 3 284.856 3.451 20 0 CGADHO C[N@H+]1CC=C(CN[C@@H]2CCSc3ccccc32)CC1 ZINC000271888178 191391419 /nfs/dbraw/zinc/39/14/19/191391419.db2.gz REOCPVBAFAUTQG-OAHLLOKOSA-N 1 3 274.433 3.075 20 0 CGADHO C[N@@H+]1CC=C(CN[C@@H]2CCSc3ccccc32)CC1 ZINC000271888178 191391422 /nfs/dbraw/zinc/39/14/22/191391422.db2.gz REOCPVBAFAUTQG-OAHLLOKOSA-N 1 3 274.433 3.075 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)c(C)c1 ZINC000414064387 235327837 /nfs/dbraw/zinc/32/78/37/235327837.db2.gz FQXVSNYKEKBOHX-HOCLYGCPSA-N 1 3 290.451 3.386 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414836091 235477982 /nfs/dbraw/zinc/47/79/82/235477982.db2.gz UILCZLKXVXGYBF-YGOACVGDSA-N 1 3 278.827 3.144 20 0 CGADHO COC[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125123432 138379770 /nfs/dbraw/zinc/37/97/70/138379770.db2.gz OLIXCQWWUZPUSS-INIZCTEOSA-N 1 3 290.451 3.187 20 0 CGADHO COCc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000125545225 138383178 /nfs/dbraw/zinc/38/31/78/138383178.db2.gz XTTIINFRBNHPRK-OAHLLOKOSA-N 1 3 294.439 3.170 20 0 CGADHO COCc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000125545225 138383180 /nfs/dbraw/zinc/38/31/80/138383180.db2.gz XTTIINFRBNHPRK-OAHLLOKOSA-N 1 3 294.439 3.170 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Sc1ccccc1 ZINC000422788869 235921170 /nfs/dbraw/zinc/92/11/70/235921170.db2.gz NTJGKHYEWXXBCM-FMKPAKJESA-N 1 3 278.465 3.145 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423264233 236013931 /nfs/dbraw/zinc/01/39/31/236013931.db2.gz BVWIGBVIJQOPPE-LNSITVRQSA-N 1 3 298.377 3.456 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423260460 236013127 /nfs/dbraw/zinc/01/31/27/236013127.db2.gz QCVIQJYSMYBHCM-NEPJUHHUSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423265491 236014185 /nfs/dbraw/zinc/01/41/85/236014185.db2.gz BAYPSOIJHOLMTI-CPUCHLNUSA-N 1 3 286.419 3.471 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423285093 236023815 /nfs/dbraw/zinc/02/38/15/236023815.db2.gz YVKDJWKRYSJOOS-QILLFSRXSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(-n2cccn2)cc1 ZINC000423285093 236023816 /nfs/dbraw/zinc/02/38/16/236023816.db2.gz YVKDJWKRYSJOOS-QILLFSRXSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000423295564 236028525 /nfs/dbraw/zinc/02/85/25/236028525.db2.gz FFFURSYWTSZZDN-YGRLFVJLSA-N 1 3 297.240 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310704 236033710 /nfs/dbraw/zinc/03/37/10/236033710.db2.gz AUXASQXUJSQIMD-BLLLJJGKSA-N 1 3 260.425 3.372 20 0 CGADHO N[C@@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317877 236036780 /nfs/dbraw/zinc/03/67/80/236036780.db2.gz KTYUGNIEVRAILX-RBUKOAKNSA-N 1 3 298.405 3.436 20 0 CGADHO N[C@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317874 236037118 /nfs/dbraw/zinc/03/71/18/236037118.db2.gz KTYUGNIEVRAILX-MOPGFXCFSA-N 1 3 298.405 3.436 20 0 CGADHO Cc1cc([C@@H](C)NCC2=CC[NH2+]CC2)cc(C)c1F ZINC000423344498 236045398 /nfs/dbraw/zinc/04/53/98/236045398.db2.gz NAFNDIPHIPYAAR-CYBMUJFWSA-N 1 3 262.372 3.013 20 0 CGADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](C)CN ZINC000423300636 236031356 /nfs/dbraw/zinc/03/13/56/236031356.db2.gz DPXALIHBAKWGRE-NWDGAFQWSA-N 1 3 288.357 3.211 20 0 CGADHO c1ccc2c(c1)OCCC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423389790 236059343 /nfs/dbraw/zinc/05/93/43/236059343.db2.gz OJMWMWIGZMRPOR-SFHVURJKSA-N 1 3 294.398 3.293 20 0 CGADHO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)CNC3)C2 ZINC000423391708 236060826 /nfs/dbraw/zinc/06/08/26/236060826.db2.gz POVYWMRZHGIMRQ-SFHVURJKSA-N 1 3 298.817 3.200 20 0 CGADHO Cc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423361373 236049950 /nfs/dbraw/zinc/04/99/50/236049950.db2.gz RVOUYQMXBKTTCY-CQSZACIVSA-N 1 3 266.388 3.449 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423364428 236051916 /nfs/dbraw/zinc/05/19/16/236051916.db2.gz AQHJLXXKVSBCOO-RRQGHBQHSA-N 1 3 298.434 3.101 20 0 CGADHO Cc1cccc(C)c1CNC[C@H](C)C[NH+]1CCCC1 ZINC000215383900 138491508 /nfs/dbraw/zinc/49/15/08/138491508.db2.gz OCJRCXOQBCYCPF-AWEZNQCLSA-N 1 3 260.425 3.125 20 0 CGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cncc(F)c1 ZINC000423508322 236089608 /nfs/dbraw/zinc/08/96/08/236089608.db2.gz QOIOGJIFISENAE-SUMWQHHRSA-N 1 3 287.382 3.352 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+]CCCNC2CC2)cc1C ZINC000423525369 236092857 /nfs/dbraw/zinc/09/28/57/236092857.db2.gz KLDYKVZIWIIAJB-HNNXBMFYSA-N 1 3 260.425 3.405 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1Br ZINC000424365422 236157030 /nfs/dbraw/zinc/15/70/30/236157030.db2.gz GXGHDHHFEWFRFQ-ZIAGYGMSSA-N 1 3 297.240 3.117 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000424374423 236158088 /nfs/dbraw/zinc/15/80/88/236158088.db2.gz LAFIIVJBKWTMBV-OWCLPIDISA-N 1 3 262.372 3.063 20 0 CGADHO C[C@H]1CC2(CN1Cc1cc(Cl)ccc1F)CC[NH2+]CC2 ZINC000424373370 236158694 /nfs/dbraw/zinc/15/86/94/236158694.db2.gz GQXIZQORHDZNND-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000424332039 236151077 /nfs/dbraw/zinc/15/10/77/236151077.db2.gz KITXMRJTCUFDIG-QZTJIDSGSA-N 1 3 284.403 3.078 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2ccc(Cl)s2)[C@H](C)C1 ZINC000177892287 189077222 /nfs/dbraw/zinc/07/72/22/189077222.db2.gz MTMKKPAJVSBCBM-DGCLKSJQSA-N 1 3 286.872 3.264 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2ccc(Cl)s2)[C@H](C)C1 ZINC000177892287 189077223 /nfs/dbraw/zinc/07/72/23/189077223.db2.gz MTMKKPAJVSBCBM-DGCLKSJQSA-N 1 3 286.872 3.264 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000178380365 189111685 /nfs/dbraw/zinc/11/16/85/189111685.db2.gz PZTXMZXJIWLLOJ-YQQAZPJKSA-N 1 3 292.492 3.405 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380365 189111686 /nfs/dbraw/zinc/11/16/86/189111686.db2.gz PZTXMZXJIWLLOJ-YQQAZPJKSA-N 1 3 292.492 3.405 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)c1 ZINC000180719028 189271868 /nfs/dbraw/zinc/27/18/68/189271868.db2.gz GYIXUKVYSFTEAX-ZBFHGGJFSA-N 1 3 276.424 3.220 20 0 CGADHO Cc1ccc2nccc(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000302165228 201376304 /nfs/dbraw/zinc/37/63/04/201376304.db2.gz QWEBYVFERUSESL-UHFFFAOYSA-N 1 3 299.418 3.066 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000449233017 239258234 /nfs/dbraw/zinc/25/82/34/239258234.db2.gz KBNZYKOXWIRDSY-HLLBOEOZSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449233017 239258240 /nfs/dbraw/zinc/25/82/40/239258240.db2.gz KBNZYKOXWIRDSY-HLLBOEOZSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233017 239258242 /nfs/dbraw/zinc/25/82/42/239258242.db2.gz KBNZYKOXWIRDSY-HLLBOEOZSA-N 1 3 290.451 3.453 20 0 CGADHO CN(C)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000120350220 370760364 /nfs/dbraw/zinc/76/03/64/370760364.db2.gz HNHPTCYBZXMJTA-UHFFFAOYSA-N 1 3 268.404 3.366 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000275609617 193086372 /nfs/dbraw/zinc/08/63/72/193086372.db2.gz QVEVUBPEGVKMMP-RTBURBONSA-N 1 3 284.447 3.249 20 0 CGADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000459738050 242200900 /nfs/dbraw/zinc/20/09/00/242200900.db2.gz XIGNKXNLFRMDKS-GUDXXQAFSA-N 1 3 276.399 3.002 20 0 CGADHO CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H](C)C1 ZINC000459738050 242200905 /nfs/dbraw/zinc/20/09/05/242200905.db2.gz XIGNKXNLFRMDKS-GUDXXQAFSA-N 1 3 276.399 3.002 20 0 CGADHO Clc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000335483254 212158593 /nfs/dbraw/zinc/15/85/93/212158593.db2.gz LUJSXGUKABAVFQ-HZPDHXFCSA-N 1 3 278.827 3.318 20 0 CGADHO CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483489996 243287034 /nfs/dbraw/zinc/28/70/34/243287034.db2.gz HNASNQLTUXVPRC-ROUUACIJSA-N 1 3 272.436 3.383 20 0 CGADHO CCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483489996 243287041 /nfs/dbraw/zinc/28/70/41/243287041.db2.gz HNASNQLTUXVPRC-ROUUACIJSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483489996 243287047 /nfs/dbraw/zinc/28/70/47/243287047.db2.gz HNASNQLTUXVPRC-ROUUACIJSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000483489996 243287052 /nfs/dbraw/zinc/28/70/52/243287052.db2.gz HNASNQLTUXVPRC-ROUUACIJSA-N 1 3 272.436 3.383 20 0 CGADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCCCCC1 ZINC000423349344 296130282 /nfs/dbraw/zinc/13/02/82/296130282.db2.gz VPEJNQGKZHIDLU-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC000036300541 369015910 /nfs/dbraw/zinc/01/59/10/369015910.db2.gz SAIZRQASXLEJFL-UHFFFAOYSA-N 1 3 260.425 3.168 20 0 CGADHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC000036300541 369015916 /nfs/dbraw/zinc/01/59/16/369015916.db2.gz SAIZRQASXLEJFL-UHFFFAOYSA-N 1 3 260.425 3.168 20 0 CGADHO Fc1ccc([C@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000037229621 369078789 /nfs/dbraw/zinc/07/87/89/369078789.db2.gz MTFLPKJGCUKDBE-QGZVFWFLSA-N 1 3 276.399 3.352 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C)cc1 ZINC000037644089 369093044 /nfs/dbraw/zinc/09/30/44/369093044.db2.gz SPXDLOAFZLMJSD-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000037644089 369093051 /nfs/dbraw/zinc/09/30/51/369093051.db2.gz SPXDLOAFZLMJSD-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644089 369093058 /nfs/dbraw/zinc/09/30/58/369093058.db2.gz SPXDLOAFZLMJSD-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644042 369093284 /nfs/dbraw/zinc/09/32/84/369093284.db2.gz HEJDPAZYIKFLFZ-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644042 369093289 /nfs/dbraw/zinc/09/32/89/369093289.db2.gz HEJDPAZYIKFLFZ-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)cc2C)C1 ZINC000037644042 369093293 /nfs/dbraw/zinc/09/32/93/369093293.db2.gz HEJDPAZYIKFLFZ-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CCCCCC1 ZINC000423349341 296134007 /nfs/dbraw/zinc/13/40/07/296134007.db2.gz VPEJNQGKZHIDLU-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1)CN1CCCCC1 ZINC000038041793 369142753 /nfs/dbraw/zinc/14/27/53/369142753.db2.gz GEWITTNCCPTPID-CVEARBPZSA-N 1 3 260.425 3.459 20 0 CGADHO C[NH+](C)CCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000045663093 369283749 /nfs/dbraw/zinc/28/37/49/369283749.db2.gz YDUKXSBTOWWFIX-SFHVURJKSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(N[C@@H](C)CC[NH+](C)C)c2ccccc2n1 ZINC000049558625 369409559 /nfs/dbraw/zinc/40/95/59/369409559.db2.gz KBKZTEUCMGNRBW-LBPRGKRZSA-N 1 3 257.381 3.295 20 0 CGADHO CCC[N@H+](Cc1ccc(CC)cc1)C1CCNCC1 ZINC000049962216 369425174 /nfs/dbraw/zinc/42/51/74/369425174.db2.gz JFZLVCDXXNBBEY-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCC[N@@H+](Cc1ccc(CC)cc1)C1CCNCC1 ZINC000049962216 369425177 /nfs/dbraw/zinc/42/51/77/369425177.db2.gz JFZLVCDXXNBBEY-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCN(Cc1ccc(CC)cc1)C1CC[NH2+]CC1 ZINC000049962216 369425179 /nfs/dbraw/zinc/42/51/79/369425179.db2.gz JFZLVCDXXNBBEY-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO C[NH2+]CCC1CCN(c2cc(C)nc3ccccc32)CC1 ZINC000070190185 369789675 /nfs/dbraw/zinc/78/96/75/369789675.db2.gz WVIZKWXPVQHEPM-UHFFFAOYSA-N 1 3 283.419 3.369 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000070346733 369795819 /nfs/dbraw/zinc/79/58/19/369795819.db2.gz SNBWKBMUHLCAFO-DZGCQCFKSA-N 1 3 282.472 3.089 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085127958 370016736 /nfs/dbraw/zinc/01/67/36/370016736.db2.gz AIKJAOFGQAQNBY-CHWSQXEVSA-N 1 3 280.378 3.429 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Br)cc1 ZINC000089139750 370037578 /nfs/dbraw/zinc/03/75/78/370037578.db2.gz PEOBRIBKWYCHTA-OCCSQVGLSA-N 1 3 297.240 3.056 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000090721283 370067046 /nfs/dbraw/zinc/06/70/46/370067046.db2.gz IXMXRHXKECTNLE-HZPDHXFCSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000090721283 370067051 /nfs/dbraw/zinc/06/70/51/370067051.db2.gz IXMXRHXKECTNLE-HZPDHXFCSA-N 1 3 260.425 3.184 20 0 CGADHO CN(Cc1cnc(C(C)(C)C)s1)CC1CC[NH+](C)CC1 ZINC000093089164 370108111 /nfs/dbraw/zinc/10/81/11/370108111.db2.gz WYTFNKWVUJHBQP-UHFFFAOYSA-N 1 3 295.496 3.214 20 0 CGADHO c1ccc(SCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093452607 370132399 /nfs/dbraw/zinc/13/23/99/370132399.db2.gz DWABJVOKDASVIU-BBWFWOEESA-N 1 3 290.476 3.289 20 0 CGADHO Cc1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000093644251 370149500 /nfs/dbraw/zinc/14/95/00/370149500.db2.gz ULFGRZOYJAQBGE-RHSMWYFYSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000093644251 370149501 /nfs/dbraw/zinc/14/95/01/370149501.db2.gz ULFGRZOYJAQBGE-RHSMWYFYSA-N 1 3 260.425 3.218 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000118842842 370628105 /nfs/dbraw/zinc/62/81/05/370628105.db2.gz SELDAJNTYLFITC-AWEZNQCLSA-N 1 3 266.816 3.114 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000118842842 370628109 /nfs/dbraw/zinc/62/81/09/370628109.db2.gz SELDAJNTYLFITC-AWEZNQCLSA-N 1 3 266.816 3.114 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1csc2ccccc12 ZINC000131713867 371124773 /nfs/dbraw/zinc/12/47/73/371124773.db2.gz LROOWQLGUCRAIK-RYUDHWBXSA-N 1 3 260.406 3.070 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986910 371293887 /nfs/dbraw/zinc/29/38/87/371293887.db2.gz FIYLFDAKMJFDIL-PMPSAXMXSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000133986910 371293894 /nfs/dbraw/zinc/29/38/94/371293894.db2.gz FIYLFDAKMJFDIL-PMPSAXMXSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000133685623 371271999 /nfs/dbraw/zinc/27/19/99/371271999.db2.gz XNIQTKXYIHKRNH-KSSFIOAISA-N 1 3 272.436 3.358 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2scnc2C)CC1 ZINC000134171799 371309177 /nfs/dbraw/zinc/30/91/77/371309177.db2.gz SXMMHYNOMOVTHU-UHFFFAOYSA-N 1 3 295.496 3.395 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2scnc2C)CC1 ZINC000134171799 371309183 /nfs/dbraw/zinc/30/91/83/371309183.db2.gz SXMMHYNOMOVTHU-UHFFFAOYSA-N 1 3 295.496 3.395 20 0 CGADHO CCC[C@@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337306445 376206549 /nfs/dbraw/zinc/20/65/49/376206549.db2.gz VJMYXPUXUQIUQQ-OAHLLOKOSA-N 1 3 275.440 3.418 20 0 CGADHO CCC[C@@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337306445 376206559 /nfs/dbraw/zinc/20/65/59/376206559.db2.gz VJMYXPUXUQIUQQ-OAHLLOKOSA-N 1 3 275.440 3.418 20 0 CGADHO Cc1cc(NC2CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC000139456444 371508266 /nfs/dbraw/zinc/50/82/66/371508266.db2.gz JGBMRARZGSWYOQ-UHFFFAOYSA-N 1 3 281.403 3.467 20 0 CGADHO C[NH+](C)CCCN[C@H](CC1CCC1)c1ccccc1 ZINC000344033727 217020471 /nfs/dbraw/zinc/02/04/71/217020471.db2.gz MBUPUYIHFGVXDC-QGZVFWFLSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000152165982 371679379 /nfs/dbraw/zinc/67/93/79/371679379.db2.gz SNQDUMGUGCHGKD-KBPBESRZSA-N 1 3 264.413 3.076 20 0 CGADHO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000152154489 371680091 /nfs/dbraw/zinc/68/00/91/371680091.db2.gz IJEJMGASQANENU-ZIAGYGMSSA-N 1 3 264.413 3.076 20 0 CGADHO CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C1 ZINC000152411214 371694035 /nfs/dbraw/zinc/69/40/35/371694035.db2.gz VCMPATARBFSVHZ-XJKSGUPXSA-N 1 3 288.435 3.367 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCSc1ccc(Cl)cc1 ZINC000422762521 371791649 /nfs/dbraw/zinc/79/16/49/371791649.db2.gz IGBBIZSGJKJZAP-WDEREUQCSA-N 1 3 272.845 3.148 20 0 CGADHO C[C@H]1CCCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729649 371769442 /nfs/dbraw/zinc/76/94/42/371769442.db2.gz LBGLXRFLHBQUIF-JPIQDLEPSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422727059 371769495 /nfs/dbraw/zinc/76/94/95/371769495.db2.gz BKGAWQKXIGKWPE-VXGBXAGGSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1ccc(Cl)cc1 ZINC000422727059 371769501 /nfs/dbraw/zinc/76/95/01/371769501.db2.gz BKGAWQKXIGKWPE-VXGBXAGGSA-N 1 3 268.832 3.333 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000422748854 371781622 /nfs/dbraw/zinc/78/16/22/371781622.db2.gz WNOKJDWNIUBNTK-UONOGXRCSA-N 1 3 252.789 3.090 20 0 CGADHO Cc1ccc(CSCCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422760763 371790248 /nfs/dbraw/zinc/79/02/48/371790248.db2.gz HDNDGDBBXQLPEE-SJORKVTESA-N 1 3 292.492 3.478 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCSCc1ccccc1F ZINC000422761138 371790602 /nfs/dbraw/zinc/79/06/02/371790602.db2.gz HEWBHSUPMLPNOK-CVEARBPZSA-N 1 3 296.455 3.309 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422757965 371790818 /nfs/dbraw/zinc/79/08/18/371790818.db2.gz DJPQKABWLBSPIT-ZBFHGGJFSA-N 1 3 278.465 3.065 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422820715 371829488 /nfs/dbraw/zinc/82/94/88/371829488.db2.gz RZNFTPJILZTMJR-DGAVXFQQSA-N 1 3 292.389 3.462 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2cccc(Cl)c2)CC1 ZINC000422770208 371795147 /nfs/dbraw/zinc/79/51/47/371795147.db2.gz PWXVVKCTPGZLPN-RYUDHWBXSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422770208 371795150 /nfs/dbraw/zinc/79/51/50/371795150.db2.gz PWXVVKCTPGZLPN-RYUDHWBXSA-N 1 3 266.816 3.087 20 0 CGADHO COc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1C ZINC000422772130 371796524 /nfs/dbraw/zinc/79/65/24/371796524.db2.gz YUXHZHDZAGJOOQ-CYBMUJFWSA-N 1 3 299.418 3.017 20 0 CGADHO Cc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422778982 371801740 /nfs/dbraw/zinc/80/17/40/371801740.db2.gz BISBZLPMHUHLDK-ZMYBRWDISA-N 1 3 296.414 3.497 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422804505 371821299 /nfs/dbraw/zinc/82/12/99/371821299.db2.gz FFDHCSZXXQAUHL-CABCVRRESA-N 1 3 260.425 3.214 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccccc2)CCCC1 ZINC000422804505 371821301 /nfs/dbraw/zinc/82/13/01/371821301.db2.gz FFDHCSZXXQAUHL-CABCVRRESA-N 1 3 260.425 3.214 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1F ZINC000422856309 371843038 /nfs/dbraw/zinc/84/30/38/371843038.db2.gz WUPQGZMEFRMQTR-HZPDHXFCSA-N 1 3 278.415 3.353 20 0 CGADHO CCN1CCN(CCCC[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000154472384 371848603 /nfs/dbraw/zinc/84/86/03/371848603.db2.gz YDAWMMYQGVCUBZ-GOSISDBHSA-N 1 3 295.515 3.129 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)C1(CC)CC ZINC000344088053 217045289 /nfs/dbraw/zinc/04/52/89/217045289.db2.gz NHDOUSNQBBJRLD-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(F)cc2)CCCC1 ZINC000422878931 371851511 /nfs/dbraw/zinc/85/15/11/371851511.db2.gz LLAPZOAXZIODBP-HZPDHXFCSA-N 1 3 276.399 3.107 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422946609 371885344 /nfs/dbraw/zinc/88/53/44/371885344.db2.gz PGNCLDMQYBEFCI-MOPGFXCFSA-N 1 3 282.431 3.489 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422915788 371867924 /nfs/dbraw/zinc/86/79/24/371867924.db2.gz YZRAQAYXDPRDDP-RDJZCZTQSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(Cl)c1 ZINC000422922903 371872239 /nfs/dbraw/zinc/87/22/39/371872239.db2.gz RDWPLXGCOYZTBU-IOASZLSFSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccccc1Br ZINC000422928243 371875350 /nfs/dbraw/zinc/87/53/50/371875350.db2.gz JQOMVHOICLTLRT-TUAOUCFPSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccccc1Br ZINC000422928243 371875355 /nfs/dbraw/zinc/87/53/55/371875355.db2.gz JQOMVHOICLTLRT-TUAOUCFPSA-N 1 3 299.256 3.096 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931724 371877537 /nfs/dbraw/zinc/87/75/37/371877537.db2.gz CPMNVCCEKVMOMF-CZUORRHYSA-N 1 3 296.842 3.216 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1csc2ccccc12 ZINC000422936013 371879603 /nfs/dbraw/zinc/87/96/03/371879603.db2.gz LSRYTZGCOOAXNL-NEPJUHHUSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1csc2ccccc12 ZINC000422936013 371879606 /nfs/dbraw/zinc/87/96/06/371879606.db2.gz LSRYTZGCOOAXNL-NEPJUHHUSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000422941470 371883569 /nfs/dbraw/zinc/88/35/69/371883569.db2.gz OPHZOXICESXCHW-SRVKXCTJSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000422941470 371883570 /nfs/dbraw/zinc/88/35/70/371883570.db2.gz OPHZOXICESXCHW-SRVKXCTJSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422840510 371836741 /nfs/dbraw/zinc/83/67/41/371836741.db2.gz TVVBXIPJRDTARH-XNJGSVPQSA-N 1 3 276.399 3.181 20 0 CGADHO Fc1ccc(CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000423052860 371936501 /nfs/dbraw/zinc/93/65/01/371936501.db2.gz QRDFLMYNUOGQCQ-YIONKMFJSA-N 1 3 294.389 3.160 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423053060 371937471 /nfs/dbraw/zinc/93/74/71/371937471.db2.gz RYEGACUHDFUCJL-GUYCJALGSA-N 1 3 286.419 3.261 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423053060 371937472 /nfs/dbraw/zinc/93/74/72/371937472.db2.gz RYEGACUHDFUCJL-GUYCJALGSA-N 1 3 286.419 3.261 20 0 CGADHO Clc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000422948471 371887412 /nfs/dbraw/zinc/88/74/12/371887412.db2.gz RKYBQQFDNALYTL-FUNVUKJBSA-N 1 3 299.245 3.409 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2cccc(F)c2F)c2ccccc21 ZINC000422957279 371890404 /nfs/dbraw/zinc/89/04/04/371890404.db2.gz MZRROUWUZAZDRG-JKSUJKDBSA-N 1 3 288.341 3.242 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(F)cc1Cl ZINC000422953928 371890504 /nfs/dbraw/zinc/89/05/04/371890504.db2.gz HADDVISYNIAVEA-HUUCEWRRSA-N 1 3 284.806 3.271 20 0 CGADHO [NH3+]CC1CCC(N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000422968543 371894702 /nfs/dbraw/zinc/89/47/02/371894702.db2.gz WXKLJMMYYMQKAR-PVARCSIZSA-N 1 3 284.403 3.476 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000422963808 371895895 /nfs/dbraw/zinc/89/58/95/371895895.db2.gz JPJKRJQVEGUKPC-CYBMUJFWSA-N 1 3 273.424 3.390 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422974724 371897537 /nfs/dbraw/zinc/89/75/37/371897537.db2.gz ABQYYTKBERCLJS-KURKYZTESA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422977396 371899572 /nfs/dbraw/zinc/89/95/72/371899572.db2.gz KAIKWLLPRPERLA-NXOUGTEYSA-N 1 3 282.387 3.058 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422984972 371901085 /nfs/dbraw/zinc/90/10/85/371901085.db2.gz ZTTQAGPOGBCVTO-CEXWTWQISA-N 1 3 286.463 3.438 20 0 CGADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)cc1 ZINC000422984972 371901091 /nfs/dbraw/zinc/90/10/91/371901091.db2.gz ZTTQAGPOGBCVTO-CEXWTWQISA-N 1 3 286.463 3.438 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCCSCC(C)C)C1 ZINC000155045229 371901674 /nfs/dbraw/zinc/90/16/74/371901674.db2.gz ZILMJNVJPRBMHK-OAHLLOKOSA-N 1 3 272.502 3.039 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCCSCC(C)C)C1 ZINC000155045229 371901679 /nfs/dbraw/zinc/90/16/79/371901679.db2.gz ZILMJNVJPRBMHK-OAHLLOKOSA-N 1 3 272.502 3.039 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000155045229 371901687 /nfs/dbraw/zinc/90/16/87/371901687.db2.gz ZILMJNVJPRBMHK-OAHLLOKOSA-N 1 3 272.502 3.039 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000155045229 371901694 /nfs/dbraw/zinc/90/16/94/371901694.db2.gz ZILMJNVJPRBMHK-OAHLLOKOSA-N 1 3 272.502 3.039 20 0 CGADHO C[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)Oc1ccccc1 ZINC000422985001 371903245 /nfs/dbraw/zinc/90/32/45/371903245.db2.gz ZXLFEZXUBCNABU-JEBQAFNWSA-N 1 3 282.387 3.188 20 0 CGADHO CS[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423027845 371924641 /nfs/dbraw/zinc/92/46/41/371924641.db2.gz FEAOVHJSBPNRKN-SOUVJXGZSA-N 1 3 278.465 3.499 20 0 CGADHO CS[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)C(C)(C)C ZINC000423027845 371924645 /nfs/dbraw/zinc/92/46/45/371924645.db2.gz FEAOVHJSBPNRKN-SOUVJXGZSA-N 1 3 278.465 3.499 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423036607 371926156 /nfs/dbraw/zinc/92/61/56/371926156.db2.gz ASOPAYOWCQOIJR-AHIWAGSCSA-N 1 3 276.399 3.477 20 0 CGADHO C[C@@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)C1CNC1 ZINC000423038011 371928136 /nfs/dbraw/zinc/92/81/36/371928136.db2.gz XMANWHCRFOXCSJ-RFSCMCKOSA-N 1 3 276.399 3.049 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423046687 371931423 /nfs/dbraw/zinc/93/14/23/371931423.db2.gz FAFJKDYKAMVXOF-CZUORRHYSA-N 1 3 282.378 3.005 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCCc2ccccc2F)c2ccccc21 ZINC000423093577 371958346 /nfs/dbraw/zinc/95/83/46/371958346.db2.gz IBQXZXJZJOESTH-QZTJIDSGSA-N 1 3 284.378 3.493 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000423093419 371958546 /nfs/dbraw/zinc/95/85/46/371958546.db2.gz HJRVCYOSBWXGDX-LJISPDSOSA-N 1 3 286.410 3.322 20 0 CGADHO Fc1cccc([C@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423094734 371960103 /nfs/dbraw/zinc/96/01/03/371960103.db2.gz KQWMWTBNFKTECH-FRYFRDGCSA-N 1 3 288.410 3.334 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099242 371963948 /nfs/dbraw/zinc/96/39/48/371963948.db2.gz FFXWMODSOIHDST-WDEREUQCSA-N 1 3 274.861 3.440 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000423101649 371966222 /nfs/dbraw/zinc/96/62/22/371966222.db2.gz NTOYQZJYHXHUSS-YFHUEUNASA-N 1 3 272.436 3.219 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423101649 371966228 /nfs/dbraw/zinc/96/62/28/371966228.db2.gz NTOYQZJYHXHUSS-YFHUEUNASA-N 1 3 272.436 3.219 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106539 371970375 /nfs/dbraw/zinc/97/03/75/371970375.db2.gz ZZHKJVXWXUKYLH-NDPMZMCLSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106539 371970384 /nfs/dbraw/zinc/97/03/84/371970384.db2.gz ZZHKJVXWXUKYLH-NDPMZMCLSA-N 1 3 266.816 3.301 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCC(F)(F)C2)c2ccccc21 ZINC000423106320 371970606 /nfs/dbraw/zinc/97/06/06/371970606.db2.gz ZQBKKZBMZFXYBW-GDLCADMTSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423108219 371970752 /nfs/dbraw/zinc/97/07/52/371970752.db2.gz FTQILPJFHRLRLI-HRSCSKTISA-N 1 3 272.436 3.158 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]CC[C@@H]1C)CCC2 ZINC000423134141 371985320 /nfs/dbraw/zinc/98/53/20/371985320.db2.gz WTFSYHOGKFIHCK-WBAXXEDZSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCNCC2)c(C)c1 ZINC000423139409 371986724 /nfs/dbraw/zinc/98/67/24/371986724.db2.gz ZVBLYMYWXWUBKI-INIZCTEOSA-N 1 3 274.452 3.313 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000423139409 371986730 /nfs/dbraw/zinc/98/67/30/371986730.db2.gz ZVBLYMYWXWUBKI-INIZCTEOSA-N 1 3 274.452 3.313 20 0 CGADHO Cc1cc(CC[NH2+][C@@H]2CCNCC[C@H]2C)ccc1Cl ZINC000423144044 371988551 /nfs/dbraw/zinc/98/85/51/371988551.db2.gz YEEQWUXNOCVITR-MLGOLLRUSA-N 1 3 280.843 3.169 20 0 CGADHO Cc1cc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)ccc1Cl ZINC000423144044 371988563 /nfs/dbraw/zinc/98/85/63/371988563.db2.gz YEEQWUXNOCVITR-MLGOLLRUSA-N 1 3 280.843 3.169 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000423144508 371991220 /nfs/dbraw/zinc/99/12/20/371991220.db2.gz HGQDFJMGEDMYDA-JCURWCKSSA-N 1 3 276.399 3.310 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423170672 372003095 /nfs/dbraw/zinc/00/30/95/372003095.db2.gz MQZJYIXDQPXKHW-ZBFHGGJFSA-N 1 3 292.854 3.380 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2C[NH2+][C@H]2CCCNCC2)cc1 ZINC000423152741 371994427 /nfs/dbraw/zinc/99/44/27/371994427.db2.gz FLMPMRPAUYPSCZ-SQNIBIBYSA-N 1 3 272.436 3.302 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423162317 371997414 /nfs/dbraw/zinc/99/74/14/371997414.db2.gz PBQMCIKYCGEPOS-QWHCGFSZSA-N 1 3 296.405 3.345 20 0 CGADHO CCCOc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000423070439 371947399 /nfs/dbraw/zinc/94/73/99/371947399.db2.gz NHFYLSQNYSWFEB-YOEHRIQHSA-N 1 3 276.424 3.001 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H](C)C[C@H](C)N)CCC2)cc1C ZINC000423084888 371954294 /nfs/dbraw/zinc/95/42/94/371954294.db2.gz IWGSSLCLYUOCLI-JKSUJKDBSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C2(CN[C@H](C)C[C@H](C)[NH3+])CCC2)cc1C ZINC000423084888 371954297 /nfs/dbraw/zinc/95/42/97/371954297.db2.gz IWGSSLCLYUOCLI-JKSUJKDBSA-N 1 3 274.452 3.441 20 0 CGADHO CNCCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423198484 372023021 /nfs/dbraw/zinc/02/30/21/372023021.db2.gz GDSHLCXIKHGKFG-NWDGAFQWSA-N 1 3 254.805 3.031 20 0 CGADHO C[NH2+]CCCN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423198484 372023026 /nfs/dbraw/zinc/02/30/26/372023026.db2.gz GDSHLCXIKHGKFG-NWDGAFQWSA-N 1 3 254.805 3.031 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290588587 372025095 /nfs/dbraw/zinc/02/50/95/372025095.db2.gz VCFVYBUMCRMHMN-DEYMUQAISA-N 1 3 272.436 3.362 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290588587 372025100 /nfs/dbraw/zinc/02/51/00/372025100.db2.gz VCFVYBUMCRMHMN-DEYMUQAISA-N 1 3 272.436 3.362 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000423203052 372026464 /nfs/dbraw/zinc/02/64/64/372026464.db2.gz BUOKBLNPVIPTFK-ROUUACIJSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCCNC1 ZINC000423209859 372032441 /nfs/dbraw/zinc/03/24/41/372032441.db2.gz FMSUHFRWEAWKOX-MHAAMQRSSA-N 1 3 294.483 3.235 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000423210054 372032642 /nfs/dbraw/zinc/03/26/42/372032642.db2.gz JMYUYUCAGKMUJR-WBVHZDCISA-N 1 3 272.436 3.270 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCNC1 ZINC000423210054 372032645 /nfs/dbraw/zinc/03/26/45/372032645.db2.gz JMYUYUCAGKMUJR-WBVHZDCISA-N 1 3 272.436 3.270 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423214493 372034499 /nfs/dbraw/zinc/03/44/99/372034499.db2.gz OYOVQLBLNRLLQU-ZACQAIPSSA-N 1 3 287.451 3.005 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423397707 372060970 /nfs/dbraw/zinc/06/09/70/372060970.db2.gz OLCAQMSAJMXLEL-IWCQGFGOSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423397707 372060972 /nfs/dbraw/zinc/06/09/72/372060972.db2.gz OLCAQMSAJMXLEL-IWCQGFGOSA-N 1 3 272.436 3.156 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423395362 372060976 /nfs/dbraw/zinc/06/09/76/372060976.db2.gz SPNZKQCLGPCJAS-HOSILWTGSA-N 1 3 258.409 3.273 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000159331323 372132347 /nfs/dbraw/zinc/13/23/47/372132347.db2.gz CTJFLQVRJRDXNY-PXAZEXFGSA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)CC[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000162863679 372429213 /nfs/dbraw/zinc/42/92/13/372429213.db2.gz QDALLSBLSOIZEI-ULQDDVLXSA-N 1 3 284.488 3.290 20 0 CGADHO COCc1ccccc1/C=C(/C)CNC[C@@H](C)C[NH+](C)C ZINC000431652482 372491781 /nfs/dbraw/zinc/49/17/81/372491781.db2.gz VEWIBQRUYKOJFA-DDITZMBXSA-N 1 3 290.451 3.024 20 0 CGADHO COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](C)CN(C)C ZINC000431652482 372491787 /nfs/dbraw/zinc/49/17/87/372491787.db2.gz VEWIBQRUYKOJFA-DDITZMBXSA-N 1 3 290.451 3.024 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCS1 ZINC000168657004 372615416 /nfs/dbraw/zinc/61/54/16/372615416.db2.gz FVUROOAFVNPAHN-MRXNPFEDSA-N 1 3 282.497 3.269 20 0 CGADHO C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCS1 ZINC000168657004 372615424 /nfs/dbraw/zinc/61/54/24/372615424.db2.gz FVUROOAFVNPAHN-MRXNPFEDSA-N 1 3 282.497 3.269 20 0 CGADHO c1ccc(CCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294273228 372634640 /nfs/dbraw/zinc/63/46/40/372634640.db2.gz RYYYHOFKTVOSMH-UHFFFAOYSA-N 1 3 295.430 3.273 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000344606643 217247723 /nfs/dbraw/zinc/24/77/23/217247723.db2.gz FIKZDTQZIHWIEJ-RBSFLKMASA-N 1 3 264.438 3.067 20 0 CGADHO C[NH2+]CCCN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875734 372823079 /nfs/dbraw/zinc/82/30/79/372823079.db2.gz UHMKYWJUSKECLR-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875734 372823088 /nfs/dbraw/zinc/82/30/88/372823088.db2.gz UHMKYWJUSKECLR-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875734 372823097 /nfs/dbraw/zinc/82/30/97/372823097.db2.gz UHMKYWJUSKECLR-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H]1CN(CCC[NH2+]C)CC[C@@H]1c1ccccc1 ZINC000435885863 372823654 /nfs/dbraw/zinc/82/36/54/372823654.db2.gz OXWIFBBFVZUOFG-RDJZCZTQSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@H]1C[N@H+](CCCNC)CC[C@@H]1c1ccccc1 ZINC000435885863 372823661 /nfs/dbraw/zinc/82/36/61/372823661.db2.gz OXWIFBBFVZUOFG-RDJZCZTQSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@H]1C[N@@H+](CCCNC)CC[C@@H]1c1ccccc1 ZINC000435885863 372823666 /nfs/dbraw/zinc/82/36/66/372823666.db2.gz OXWIFBBFVZUOFG-RDJZCZTQSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212243 372915000 /nfs/dbraw/zinc/91/50/00/372915000.db2.gz HFCDMVZYMUZSJG-GOEBONIOSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212243 372915008 /nfs/dbraw/zinc/91/50/08/372915008.db2.gz HFCDMVZYMUZSJG-GOEBONIOSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H]1CCN(CC(C)C[N@@H+]2CC[C@H](CC)C2)C1 ZINC000438476390 372958603 /nfs/dbraw/zinc/95/86/03/372958603.db2.gz FSPWHWVTBJUOEZ-HOTGVXAUSA-N 1 3 252.446 3.086 20 0 CGADHO CC[C@H]1CCN(CC(C)C[N@H+]2CC[C@H](CC)C2)C1 ZINC000438476390 372958610 /nfs/dbraw/zinc/95/86/10/372958610.db2.gz FSPWHWVTBJUOEZ-HOTGVXAUSA-N 1 3 252.446 3.086 20 0 CGADHO c1ccc(C[C@H]2CC[N@H+]2CCCN2CCCCC2)cc1 ZINC000444620024 373215175 /nfs/dbraw/zinc/21/51/75/373215175.db2.gz LMCAWAUDDLYURI-GOSISDBHSA-N 1 3 272.436 3.179 20 0 CGADHO c1ccc(C[C@H]2CC[N@@H+]2CCCN2CCCCC2)cc1 ZINC000444620024 373215176 /nfs/dbraw/zinc/21/51/76/373215176.db2.gz LMCAWAUDDLYURI-GOSISDBHSA-N 1 3 272.436 3.179 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000444638533 373216222 /nfs/dbraw/zinc/21/62/22/373216222.db2.gz JEAFCLHRAXGDGE-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000444638533 373216232 /nfs/dbraw/zinc/21/62/32/373216232.db2.gz JEAFCLHRAXGDGE-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000444638533 373216245 /nfs/dbraw/zinc/21/62/45/373216245.db2.gz JEAFCLHRAXGDGE-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000444638533 373216258 /nfs/dbraw/zinc/21/62/58/373216258.db2.gz JEAFCLHRAXGDGE-MOPGFXCFSA-N 1 3 286.463 3.208 20 0 CGADHO CC/C=C\C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000449451874 373735234 /nfs/dbraw/zinc/73/52/34/373735234.db2.gz DQSICBUBBVPWMU-UCKVFGNKSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C\CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449451874 373735241 /nfs/dbraw/zinc/73/52/41/373735241.db2.gz DQSICBUBBVPWMU-UCKVFGNKSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C\CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451874 373735250 /nfs/dbraw/zinc/73/52/50/373735250.db2.gz DQSICBUBBVPWMU-UCKVFGNKSA-N 1 3 272.436 3.453 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029607 373736838 /nfs/dbraw/zinc/73/68/38/373736838.db2.gz VNUNHPVGLPBCEL-YOEHRIQHSA-N 1 3 272.436 3.340 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029607 373736846 /nfs/dbraw/zinc/73/68/46/373736846.db2.gz VNUNHPVGLPBCEL-YOEHRIQHSA-N 1 3 272.436 3.340 20 0 CGADHO Cc1nn(C)cc1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000178144475 373748197 /nfs/dbraw/zinc/74/81/97/373748197.db2.gz QSLDAKXVDUHDAO-OAHLLOKOSA-N 1 3 292.471 3.035 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C(C)(C)C ZINC000449466217 373748452 /nfs/dbraw/zinc/74/84/52/373748452.db2.gz GEFRSIPECKKOPQ-KKUMJFAQSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C(C)(C)C ZINC000449466215 373749197 /nfs/dbraw/zinc/74/91/97/373749197.db2.gz GEFRSIPECKKOPQ-ILXRZTDVSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)cc[nH+]1 ZINC000302216809 373828387 /nfs/dbraw/zinc/82/83/87/373828387.db2.gz JBRADNANIYQBEO-INIZCTEOSA-N 1 3 273.355 3.244 20 0 CGADHO Cc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)cc[nH+]1 ZINC000302217070 373829097 /nfs/dbraw/zinc/82/90/97/373829097.db2.gz JHGUCHNPKQEDMJ-INIZCTEOSA-N 1 3 273.355 3.244 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000302587672 373899960 /nfs/dbraw/zinc/89/99/60/373899960.db2.gz VBTIAXHDIZCIJR-MRXNPFEDSA-N 1 3 259.397 3.066 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000302587672 373899963 /nfs/dbraw/zinc/89/99/63/373899963.db2.gz VBTIAXHDIZCIJR-MRXNPFEDSA-N 1 3 259.397 3.066 20 0 CGADHO Cc1cc(NCC2(N3CCSCC3)CCCC2)cc[nH+]1 ZINC000302302108 373850041 /nfs/dbraw/zinc/85/00/41/373850041.db2.gz NGMTXBHWVZVDNQ-UHFFFAOYSA-N 1 3 291.464 3.164 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CC2=CCCCC2)C[C@@H]1C ZINC000450467785 374151546 /nfs/dbraw/zinc/15/15/46/374151546.db2.gz LYSXLGAQXMFJJA-HOCLYGCPSA-N 1 3 250.430 3.291 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CC2=CCCCC2)C[C@@H]1C ZINC000450467785 374151551 /nfs/dbraw/zinc/15/15/51/374151551.db2.gz LYSXLGAQXMFJJA-HOCLYGCPSA-N 1 3 250.430 3.291 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(F)c1 ZINC000310816123 374225428 /nfs/dbraw/zinc/22/54/28/374225428.db2.gz GQTPYYATHAQJDA-WFASDCNBSA-N 1 3 252.377 3.064 20 0 CGADHO CCc1oc2ccccc2c1C[NH2+]C[C@@H](C)CN(C)C ZINC000312476059 374279817 /nfs/dbraw/zinc/27/98/17/374279817.db2.gz HMIAGMIGEGNDSJ-CYBMUJFWSA-N 1 3 274.408 3.283 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228741 374370448 /nfs/dbraw/zinc/37/04/48/374370448.db2.gz BYMUYTSMDIHTQV-JECHBYEQSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228741 374370454 /nfs/dbraw/zinc/37/04/54/374370454.db2.gz BYMUYTSMDIHTQV-JECHBYEQSA-N 1 3 294.389 3.272 20 0 CGADHO CC/C=C/CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000453329094 374423871 /nfs/dbraw/zinc/42/38/71/374423871.db2.gz UHZOOONAEICZFQ-LQYUOIDQSA-N 1 3 276.424 3.244 20 0 CGADHO Fc1ccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453345441 374436976 /nfs/dbraw/zinc/43/69/76/374436976.db2.gz JZTBCGZVUBHAQC-SJORKVTESA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000453345441 374436981 /nfs/dbraw/zinc/43/69/81/374436981.db2.gz JZTBCGZVUBHAQC-SJORKVTESA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000453345441 374436987 /nfs/dbraw/zinc/43/69/87/374436987.db2.gz JZTBCGZVUBHAQC-SJORKVTESA-N 1 3 288.410 3.117 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000186884240 374933308 /nfs/dbraw/zinc/93/33/08/374933308.db2.gz DQXYBJSAVXWJQQ-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528218 541988143 /nfs/dbraw/zinc/98/81/43/541988143.db2.gz GWAGZXQAVXMWGB-DYVFJYSZSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528218 541988149 /nfs/dbraw/zinc/98/81/49/541988149.db2.gz GWAGZXQAVXMWGB-DYVFJYSZSA-N 1 3 258.409 3.266 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCOC(C)(C)C ZINC000482130415 375167454 /nfs/dbraw/zinc/16/74/54/375167454.db2.gz DVPORXSCDBITKL-HOTGVXAUSA-N 1 3 284.488 3.292 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000482130415 375167461 /nfs/dbraw/zinc/16/74/61/375167461.db2.gz DVPORXSCDBITKL-HOTGVXAUSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H](CN1CC[C@H](C)[C@H]1C)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000482896002 375172541 /nfs/dbraw/zinc/17/25/41/375172541.db2.gz TXLKWIQTGRWULM-UVPYHEFZSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN1CC[C@H](C)[C@H]1C)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000482896002 375172552 /nfs/dbraw/zinc/17/25/52/375172552.db2.gz TXLKWIQTGRWULM-UVPYHEFZSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1CC[C@H](C)[C@@H]1C)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000482896002 375172561 /nfs/dbraw/zinc/17/25/61/375172561.db2.gz TXLKWIQTGRWULM-UVPYHEFZSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1CC[C@H](C)[C@@H]1C)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000482896002 375172569 /nfs/dbraw/zinc/17/25/69/375172569.db2.gz TXLKWIQTGRWULM-UVPYHEFZSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000487546402 375249644 /nfs/dbraw/zinc/24/96/44/375249644.db2.gz ZEKJCLFCDFSOJX-PBHICJAKSA-N 1 3 287.451 3.322 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc2sccc2c1 ZINC000335181751 375206975 /nfs/dbraw/zinc/20/69/75/375206975.db2.gz QSTSFORKUOSDRN-DOMZBBRYSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc2sccc2c1 ZINC000335181751 375206978 /nfs/dbraw/zinc/20/69/78/375206978.db2.gz QSTSFORKUOSDRN-DOMZBBRYSA-N 1 3 274.433 3.331 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000189069814 375318162 /nfs/dbraw/zinc/31/81/62/375318162.db2.gz FNFTVTDFGIBAIV-RHSMWYFYSA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000189069814 375318167 /nfs/dbraw/zinc/31/81/67/375318167.db2.gz FNFTVTDFGIBAIV-RHSMWYFYSA-N 1 3 260.425 3.164 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189076054 375319697 /nfs/dbraw/zinc/31/96/97/375319697.db2.gz QLXOBGQPKLVFGM-QGZVFWFLSA-N 1 3 296.499 3.295 20 0 CGADHO C(C1CCCCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489987521 375320472 /nfs/dbraw/zinc/32/04/72/375320472.db2.gz INGXWFLEISIBEK-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO CC[C@@H]1CN(Cc2ccc3nc(C)ccc3c2)CC[C@@H]1[NH3+] ZINC000097862684 541995685 /nfs/dbraw/zinc/99/56/85/541995685.db2.gz CXEXDYYURLASDV-WBVHZDCISA-N 1 3 283.419 3.102 20 0 CGADHO CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000190061644 375473323 /nfs/dbraw/zinc/47/33/23/375473323.db2.gz OAWWJJYJQKWVGH-RRFJBIMHSA-N 1 3 270.486 3.125 20 0 CGADHO CCc1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000189565471 375413173 /nfs/dbraw/zinc/41/31/73/375413173.db2.gz YONOIXFXBSVUEZ-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000189565471 375413175 /nfs/dbraw/zinc/41/31/75/375413175.db2.gz YONOIXFXBSVUEZ-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000189565471 375413176 /nfs/dbraw/zinc/41/31/76/375413176.db2.gz YONOIXFXBSVUEZ-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000189565471 375413179 /nfs/dbraw/zinc/41/31/79/375413179.db2.gz YONOIXFXBSVUEZ-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)COC(C)C ZINC000501469061 375639467 /nfs/dbraw/zinc/63/94/67/375639467.db2.gz DQEQKUIAVXOPCY-ULQDDVLXSA-N 1 3 284.488 3.290 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)COC(C)C ZINC000501469061 375639477 /nfs/dbraw/zinc/63/94/77/375639477.db2.gz DQEQKUIAVXOPCY-ULQDDVLXSA-N 1 3 284.488 3.290 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000192618678 375771036 /nfs/dbraw/zinc/77/10/36/375771036.db2.gz TUFUKOACLQGGSH-KRWDZBQOSA-N 1 3 273.424 3.009 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CC1CCC1)CN1CCCCC1 ZINC000129199596 542054704 /nfs/dbraw/zinc/05/47/04/542054704.db2.gz VIGLRQUCYCSZJS-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000336658536 375896585 /nfs/dbraw/zinc/89/65/85/375896585.db2.gz IWRJWPJUOYERAL-RKDXNWHRSA-N 1 3 261.196 3.239 20 0 CGADHO C[C@@H](c1ccccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000358504842 296238255 /nfs/dbraw/zinc/23/82/55/296238255.db2.gz IUYBVDGLNOOKBB-ZDUSSCGKSA-N 1 3 278.827 3.477 20 0 CGADHO CN(CCCCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000536262890 376083708 /nfs/dbraw/zinc/08/37/08/376083708.db2.gz JFQYNQGFRCKVDM-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO CN(CCCCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000536262890 376083717 /nfs/dbraw/zinc/08/37/17/376083717.db2.gz JFQYNQGFRCKVDM-GOSISDBHSA-N 1 3 274.452 3.425 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000212707271 376137588 /nfs/dbraw/zinc/13/75/88/376137588.db2.gz ZWTMROSYOTZODY-RYUDHWBXSA-N 1 3 284.806 3.472 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969447 376155172 /nfs/dbraw/zinc/15/51/72/376155172.db2.gz VJLFLMJEMLEPAO-KGLIPLIRSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969447 376155177 /nfs/dbraw/zinc/15/51/77/376155177.db2.gz VJLFLMJEMLEPAO-KGLIPLIRSA-N 1 3 278.399 3.426 20 0 CGADHO C[N@H+](CCCN1CCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC000337268859 376181069 /nfs/dbraw/zinc/18/10/69/376181069.db2.gz LAJVPEFJQIXHRP-QGZVFWFLSA-N 1 3 276.399 3.231 20 0 CGADHO C[N@@H+](CCCN1CCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC000337268859 376181076 /nfs/dbraw/zinc/18/10/76/376181076.db2.gz LAJVPEFJQIXHRP-QGZVFWFLSA-N 1 3 276.399 3.231 20 0 CGADHO CCC[C@@H](C)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539367674 376306773 /nfs/dbraw/zinc/30/67/73/376306773.db2.gz YXKDUUHTZIEZFC-ZACQAIPSSA-N 1 3 296.499 3.244 20 0 CGADHO CCC[C@H](C)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539367673 376306438 /nfs/dbraw/zinc/30/64/38/376306438.db2.gz YXKDUUHTZIEZFC-YESZJQIVSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)(C)OCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000540985891 376412426 /nfs/dbraw/zinc/41/24/26/376412426.db2.gz RWCDALKCQHPPQS-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO CCCN(Cc1ccc(C)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226434882 376359986 /nfs/dbraw/zinc/35/99/86/376359986.db2.gz GINFKKILUUVAAS-QGZVFWFLSA-N 1 3 260.425 3.207 20 0 CGADHO CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCCNC1 ZINC000226434882 376359993 /nfs/dbraw/zinc/35/99/93/376359993.db2.gz GINFKKILUUVAAS-QGZVFWFLSA-N 1 3 260.425 3.207 20 0 CGADHO CCC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCCNC1 ZINC000226434882 376359995 /nfs/dbraw/zinc/35/99/95/376359995.db2.gz GINFKKILUUVAAS-QGZVFWFLSA-N 1 3 260.425 3.207 20 0 CGADHO CN(Cc1cccc(C2CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000226449869 376362184 /nfs/dbraw/zinc/36/21/84/376362184.db2.gz GTUPWZDAOYRZDX-KRWDZBQOSA-N 1 3 258.409 3.138 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226900899 376375410 /nfs/dbraw/zinc/37/54/10/376375410.db2.gz URWPDKCRHUZWIF-RHSMWYFYSA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000226900899 376375420 /nfs/dbraw/zinc/37/54/20/376375420.db2.gz URWPDKCRHUZWIF-RHSMWYFYSA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000226900899 376375428 /nfs/dbraw/zinc/37/54/28/376375428.db2.gz URWPDKCRHUZWIF-RHSMWYFYSA-N 1 3 258.409 3.069 20 0 CGADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000228339095 376436846 /nfs/dbraw/zinc/43/68/46/376436846.db2.gz ZXSKECKRHFDLFV-RWMBFGLXSA-N 1 3 278.362 3.229 20 0 CGADHO CCCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228537656 376440311 /nfs/dbraw/zinc/44/03/11/376440311.db2.gz UKHWHEZEZJEBLL-CGTJXYLNSA-N 1 3 288.435 3.035 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338690692 376482578 /nfs/dbraw/zinc/48/25/78/376482578.db2.gz FHMGPJWLAFIKOD-JQHSSLGASA-N 1 3 272.436 3.254 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000541536162 376455612 /nfs/dbraw/zinc/45/56/12/376455612.db2.gz BQQAZPVUHVHDAD-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000541536162 376455616 /nfs/dbraw/zinc/45/56/16/376455616.db2.gz BQQAZPVUHVHDAD-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000542672274 376567231 /nfs/dbraw/zinc/56/72/31/376567231.db2.gz XOZVWDJLBLFWLT-HOTGVXAUSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000542672274 376567237 /nfs/dbraw/zinc/56/72/37/376567237.db2.gz XOZVWDJLBLFWLT-HOTGVXAUSA-N 1 3 292.471 3.115 20 0 CGADHO CCc1ccc(CN2CCC(CCC[NH+](C)C)CC2)nc1 ZINC000339060000 376653039 /nfs/dbraw/zinc/65/30/39/376653039.db2.gz LHUUVXUHEHVWEM-UHFFFAOYSA-N 1 3 289.467 3.198 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000235875611 376652929 /nfs/dbraw/zinc/65/29/29/376652929.db2.gz YEYABCMLYMTECP-ZDUSSCGKSA-N 1 3 266.816 3.209 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000556864170 376893006 /nfs/dbraw/zinc/89/30/06/376893006.db2.gz BMPMXVDYPHREHD-ZKXLYKBJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556864170 376893008 /nfs/dbraw/zinc/89/30/08/376893008.db2.gz BMPMXVDYPHREHD-ZKXLYKBJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556864170 376893011 /nfs/dbraw/zinc/89/30/11/376893011.db2.gz BMPMXVDYPHREHD-ZKXLYKBJSA-N 1 3 294.483 3.044 20 0 CGADHO C1=CC[C@@H](C[N@@H+]2CCC[C@H](N3CCCC3)CC2)CC1 ZINC000245808344 376913208 /nfs/dbraw/zinc/91/32/08/376913208.db2.gz YZDLRESFPMTBSL-SJORKVTESA-N 1 3 262.441 3.293 20 0 CGADHO C1=CC[C@@H](C[N@H+]2CCC[C@H](N3CCCC3)CC2)CC1 ZINC000245808344 376913224 /nfs/dbraw/zinc/91/32/24/376913224.db2.gz YZDLRESFPMTBSL-SJORKVTESA-N 1 3 262.441 3.293 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000557904943 376963824 /nfs/dbraw/zinc/96/38/24/376963824.db2.gz KWPNVELAELQZJK-CABCVRRESA-N 1 3 278.415 3.249 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Sc2ccccc2)[C@@H](C)C1 ZINC000246912755 377117097 /nfs/dbraw/zinc/11/70/97/377117097.db2.gz FTPWXMSGEOTARI-ZOBUZTSGSA-N 1 3 292.492 3.487 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Sc2ccccc2)[C@@H](C)C1 ZINC000246912755 377117104 /nfs/dbraw/zinc/11/71/04/377117104.db2.gz FTPWXMSGEOTARI-ZOBUZTSGSA-N 1 3 292.492 3.487 20 0 CGADHO CC(C)C1([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000559893744 377105779 /nfs/dbraw/zinc/10/57/79/377105779.db2.gz PFVKUQNOCCVWKP-OAHLLOKOSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccs1 ZINC000247208008 377177183 /nfs/dbraw/zinc/17/71/83/377177183.db2.gz VMQUIDDPJVRNQL-RWMBFGLXSA-N 1 3 252.427 3.272 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000247246210 377183355 /nfs/dbraw/zinc/18/33/55/377183355.db2.gz YAHMURIYJUZRTR-BFYDXBDKSA-N 1 3 290.451 3.212 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(F)cc1 ZINC000340688346 377217604 /nfs/dbraw/zinc/21/76/04/377217604.db2.gz UPQJIKNEZZBJLD-UHFFFAOYSA-N 1 3 264.388 3.134 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(F)cc1 ZINC000340688346 377217609 /nfs/dbraw/zinc/21/76/09/377217609.db2.gz UPQJIKNEZZBJLD-UHFFFAOYSA-N 1 3 264.388 3.134 20 0 CGADHO CC[NH2+]CCCN[C@H](C)CCc1ccc(Cl)s1 ZINC000562956068 377376395 /nfs/dbraw/zinc/37/63/95/377376395.db2.gz BCWPHRMZSWYYDX-LLVKDONJSA-N 1 3 274.861 3.312 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ncc(-c3ccccc3)s2)C1 ZINC000562748094 377357145 /nfs/dbraw/zinc/35/71/45/377357145.db2.gz NKQRYRURMOTVQV-TZMCWYRMSA-N 1 3 287.432 3.027 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000563304898 377439046 /nfs/dbraw/zinc/43/90/46/377439046.db2.gz WOWCHJBAKXJITG-PBHICJAKSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCCC12CC2 ZINC000563444009 377467841 /nfs/dbraw/zinc/46/78/41/377467841.db2.gz XVIWVWMTWSJRGK-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1ccc([C@H](C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166652198 542175651 /nfs/dbraw/zinc/17/56/51/542175651.db2.gz ANRJAXNMGSKHBP-KBAYOESNSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1ccc([C@H](C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166652198 542175654 /nfs/dbraw/zinc/17/56/54/542175654.db2.gz ANRJAXNMGSKHBP-KBAYOESNSA-N 1 3 272.436 3.315 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166641995 542174915 /nfs/dbraw/zinc/17/49/15/542174915.db2.gz WKZHHZNAAVMXAS-IAGOWNOFSA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166641995 542174921 /nfs/dbraw/zinc/17/49/21/542174921.db2.gz WKZHHZNAAVMXAS-IAGOWNOFSA-N 1 3 290.426 3.320 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2ccsc2Cl)CC1 ZINC000312756288 249082535 /nfs/dbraw/zinc/08/25/35/249082535.db2.gz HIZJTMDNHQMYKY-XYPYZODXSA-N 1 3 272.845 3.256 20 0 CGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313343699 249091324 /nfs/dbraw/zinc/09/13/24/249091324.db2.gz OXBLZRSJUCQHGJ-YOEHRIQHSA-N 1 3 290.451 3.095 20 0 CGADHO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313343699 249091327 /nfs/dbraw/zinc/09/13/27/249091327.db2.gz OXBLZRSJUCQHGJ-YOEHRIQHSA-N 1 3 290.451 3.095 20 0 CGADHO CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000469987247 249165240 /nfs/dbraw/zinc/16/52/40/249165240.db2.gz MMBZTAFTHIJILR-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H]1CCCNC1 ZINC000469987247 249165242 /nfs/dbraw/zinc/16/52/42/249165242.db2.gz MMBZTAFTHIJILR-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc2c(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002730 249197379 /nfs/dbraw/zinc/19/73/79/249197379.db2.gz UETCARUTGPGWHY-DNVCBOLYSA-N 1 3 295.430 3.199 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCSc3ccccc32)C1 ZINC000250868484 377567832 /nfs/dbraw/zinc/56/78/32/377567832.db2.gz XMVNLNVWOJXCDK-BZPMIXESSA-N 1 3 262.422 3.083 20 0 CGADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000251368162 377580629 /nfs/dbraw/zinc/58/06/29/377580629.db2.gz WQPSTRNGMOVOOT-QKPAOTATSA-N 1 3 252.446 3.179 20 0 CGADHO CCC[C@H](NCc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000517031551 249254384 /nfs/dbraw/zinc/25/43/84/249254384.db2.gz MCIAOGRZDMLCBE-KRWDZBQOSA-N 1 3 269.392 3.171 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1C ZINC000252431213 377622483 /nfs/dbraw/zinc/62/24/83/377622483.db2.gz DZYMVEVZOKPWFC-VKJFTORMSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1csc2ccccc12 ZINC000252889783 377668795 /nfs/dbraw/zinc/66/87/95/377668795.db2.gz FNUKAPAAFMPKKH-SWLSCSKDSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1csc2ccccc12 ZINC000252889783 377668801 /nfs/dbraw/zinc/66/88/01/377668801.db2.gz FNUKAPAAFMPKKH-SWLSCSKDSA-N 1 3 274.433 3.331 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NC2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530717 377676526 /nfs/dbraw/zinc/67/65/26/377676526.db2.gz DSWDIKQUQFNUEQ-CABCVRRESA-N 1 3 278.827 3.275 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530717 377676532 /nfs/dbraw/zinc/67/65/32/377676532.db2.gz DSWDIKQUQFNUEQ-CABCVRRESA-N 1 3 278.827 3.275 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000261568299 377817827 /nfs/dbraw/zinc/81/78/27/377817827.db2.gz JVAAYDOSNSOIIN-HOTGVXAUSA-N 1 3 260.425 3.171 20 0 CGADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000261573900 377820853 /nfs/dbraw/zinc/82/08/53/377820853.db2.gz WEIAPWBSQPCNCQ-ZIAGYGMSSA-N 1 3 264.388 3.208 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@H]1CCC[NH2+]C1 ZINC000261596011 377823313 /nfs/dbraw/zinc/82/33/13/377823313.db2.gz JSZVHWMHUIHLMR-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@H]1CCCNC1 ZINC000261596011 377823316 /nfs/dbraw/zinc/82/33/16/377823316.db2.gz JSZVHWMHUIHLMR-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@H]1CCCNC1 ZINC000261596011 377823321 /nfs/dbraw/zinc/82/33/21/377823321.db2.gz JSZVHWMHUIHLMR-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO c1ccc2c(c1)CC(N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000261595045 377823480 /nfs/dbraw/zinc/82/34/80/377823480.db2.gz CZNNJZQAEOSLPZ-GUDVDZBRSA-N 1 3 284.447 3.054 20 0 CGADHO c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C2 ZINC000261595045 377823486 /nfs/dbraw/zinc/82/34/86/377823486.db2.gz CZNNJZQAEOSLPZ-GUDVDZBRSA-N 1 3 284.447 3.054 20 0 CGADHO COc1ccc(CCC2CC[NH+](CC(C)(C)N)CC2)cc1 ZINC000261652308 377834629 /nfs/dbraw/zinc/83/46/29/377834629.db2.gz BDAPHGDGZBLCOE-UHFFFAOYSA-N 1 3 290.451 3.077 20 0 CGADHO C[N@H+](CCc1ccc2ccccc2c1)C1CCNCC1 ZINC000258780172 377798822 /nfs/dbraw/zinc/79/88/22/377798822.db2.gz BKXSIQIXVPDRFQ-UHFFFAOYSA-N 1 3 268.404 3.066 20 0 CGADHO C[N@@H+](CCc1ccc2ccccc2c1)C1CCNCC1 ZINC000258780172 377798827 /nfs/dbraw/zinc/79/88/27/377798827.db2.gz BKXSIQIXVPDRFQ-UHFFFAOYSA-N 1 3 268.404 3.066 20 0 CGADHO Cc1cc(C)cc([C@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262029534 377879873 /nfs/dbraw/zinc/87/98/73/377879873.db2.gz NZEYASAOPSKMOP-FUHWJXTLSA-N 1 3 272.436 3.092 20 0 CGADHO CCC[N@H+](CCOc1c(C)cccc1C)C1CCNCC1 ZINC000262127953 377888176 /nfs/dbraw/zinc/88/81/76/377888176.db2.gz NVKQZVXXIHHQCP-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CCC[N@@H+](CCOc1c(C)cccc1C)C1CCNCC1 ZINC000262127953 377888183 /nfs/dbraw/zinc/88/81/83/377888183.db2.gz NVKQZVXXIHHQCP-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CCCN(CCOc1c(C)cccc1C)C1CC[NH2+]CC1 ZINC000262127953 377888188 /nfs/dbraw/zinc/88/81/88/377888188.db2.gz NVKQZVXXIHHQCP-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136210 377888863 /nfs/dbraw/zinc/88/88/63/377888863.db2.gz YSQFDDWYMZCFCQ-ZBFHGGJFSA-N 1 3 278.465 3.122 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136210 377888867 /nfs/dbraw/zinc/88/88/67/377888867.db2.gz YSQFDDWYMZCFCQ-ZBFHGGJFSA-N 1 3 278.465 3.122 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261702380 377842118 /nfs/dbraw/zinc/84/21/18/377842118.db2.gz OLFKGEOCCMEGOT-BQPHKTIFSA-N 1 3 298.352 3.436 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262398133 377896933 /nfs/dbraw/zinc/89/69/33/377896933.db2.gz CBEQWANIPUGVLW-CABCVRRESA-N 1 3 290.410 3.298 20 0 CGADHO Cc1ccc(-c2cc(CN3CCC([C@@H](C)[NH3+])CC3)on2)cc1 ZINC000261841779 377858931 /nfs/dbraw/zinc/85/89/31/377858931.db2.gz COMMGZXJOIZFQO-CQSZACIVSA-N 1 3 299.418 3.209 20 0 CGADHO CC(C)C(C[N@@H+]1CCCC12CCN(C)CC2)C(C)C ZINC000578200598 378047479 /nfs/dbraw/zinc/04/74/79/378047479.db2.gz ZGJVNHASZCJNRO-UHFFFAOYSA-N 1 3 266.473 3.475 20 0 CGADHO CC(C)C(C[N@H+]1CCCC12CCN(C)CC2)C(C)C ZINC000578200598 378047488 /nfs/dbraw/zinc/04/74/88/378047488.db2.gz ZGJVNHASZCJNRO-UHFFFAOYSA-N 1 3 266.473 3.475 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000345182375 378215942 /nfs/dbraw/zinc/21/59/42/378215942.db2.gz VWYZGKVXIXDCEV-HZPDHXFCSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345182375 378215945 /nfs/dbraw/zinc/21/59/45/378215945.db2.gz VWYZGKVXIXDCEV-HZPDHXFCSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000344489154 378174122 /nfs/dbraw/zinc/17/41/22/378174122.db2.gz XGAFGEHTOIIPTB-VNQPRFMTSA-N 1 3 250.430 3.172 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273746 378318324 /nfs/dbraw/zinc/31/83/24/378318324.db2.gz ZRKJZDJQZDVHIM-KGLIPLIRSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273746 378318328 /nfs/dbraw/zinc/31/83/28/378318328.db2.gz ZRKJZDJQZDVHIM-KGLIPLIRSA-N 1 3 287.234 3.395 20 0 CGADHO Cc1ccc(CCN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000584555786 378394335 /nfs/dbraw/zinc/39/43/35/378394335.db2.gz WPXKVNFAXFLANL-UHFFFAOYSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C ZINC000584080668 378373595 /nfs/dbraw/zinc/37/35/95/378373595.db2.gz NBQRGBUOFFSWFI-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1C ZINC000584080668 378373599 /nfs/dbraw/zinc/37/35/99/378373599.db2.gz NBQRGBUOFFSWFI-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000584080668 378373604 /nfs/dbraw/zinc/37/36/04/378373604.db2.gz NBQRGBUOFFSWFI-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000584080668 378373608 /nfs/dbraw/zinc/37/36/08/378373608.db2.gz NBQRGBUOFFSWFI-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000271865804 378509513 /nfs/dbraw/zinc/50/95/13/378509513.db2.gz LHPQAMSAFUXARV-SFHVURJKSA-N 1 3 270.420 3.306 20 0 CGADHO CC1(C)C[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000346571260 378628587 /nfs/dbraw/zinc/62/85/87/378628587.db2.gz XIFYWDJWKBBDGG-OAHLLOKOSA-N 1 3 250.430 3.172 20 0 CGADHO CC1(C)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000346571260 378628589 /nfs/dbraw/zinc/62/85/89/378628589.db2.gz XIFYWDJWKBBDGG-OAHLLOKOSA-N 1 3 250.430 3.172 20 0 CGADHO [NH3+]CC1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000346688753 378676764 /nfs/dbraw/zinc/67/67/64/378676764.db2.gz OGHPZTOWQYUREE-UHFFFAOYSA-N 1 3 288.435 3.179 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000348099279 378791732 /nfs/dbraw/zinc/79/17/32/378791732.db2.gz BAZULKAZVAHHQE-BARDWOONSA-N 1 3 250.430 3.028 20 0 CGADHO CO[C@](C)(C[NH2+]C1CCN(CC2CCCC2)CC1)C1CC1 ZINC000638453755 378808780 /nfs/dbraw/zinc/80/87/80/378808780.db2.gz HTCBHEHONLXSPF-GOSISDBHSA-N 1 3 294.483 3.046 20 0 CGADHO CO[C@](C)(CNC1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000638453755 378808783 /nfs/dbraw/zinc/80/87/83/378808783.db2.gz HTCBHEHONLXSPF-GOSISDBHSA-N 1 3 294.483 3.046 20 0 CGADHO c1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346859630 218040226 /nfs/dbraw/zinc/04/02/26/218040226.db2.gz SXKINRPSUNMFFC-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346859630 218040227 /nfs/dbraw/zinc/04/02/27/218040227.db2.gz SXKINRPSUNMFFC-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)c1 ZINC000346996292 218085732 /nfs/dbraw/zinc/08/57/32/218085732.db2.gz WKAGDAWXFVLJLP-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)c1 ZINC000346996292 218085734 /nfs/dbraw/zinc/08/57/34/218085734.db2.gz WKAGDAWXFVLJLP-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000276831304 379005121 /nfs/dbraw/zinc/00/51/21/379005121.db2.gz BMBQLBIYMPUAHC-SJORKVTESA-N 1 3 292.492 3.368 20 0 CGADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000370580786 379034751 /nfs/dbraw/zinc/03/47/51/379034751.db2.gz XNGOQUJYKOYFSK-FSDCSDTHSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000370580786 379034757 /nfs/dbraw/zinc/03/47/57/379034757.db2.gz XNGOQUJYKOYFSK-FSDCSDTHSA-N 1 3 296.524 3.371 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2[nH]ccc21 ZINC000276955502 379030217 /nfs/dbraw/zinc/03/02/17/379030217.db2.gz PCPGVXZJQBNNFM-UHFFFAOYSA-N 1 3 271.408 3.086 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2[nH]ccc21 ZINC000276955502 379030227 /nfs/dbraw/zinc/03/02/27/379030227.db2.gz PCPGVXZJQBNNFM-UHFFFAOYSA-N 1 3 271.408 3.086 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2ccc3ccccc3n2)[C@H](C)C1 ZINC000347368297 218208763 /nfs/dbraw/zinc/20/87/63/218208763.db2.gz XRYUCTBCGAHACW-CRAIPNDOSA-N 1 3 297.446 3.097 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2ccc3ccccc3n2)[C@H](C)C1 ZINC000347368297 218208764 /nfs/dbraw/zinc/20/87/64/218208764.db2.gz XRYUCTBCGAHACW-CRAIPNDOSA-N 1 3 297.446 3.097 20 0 CGADHO COC1([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCCCC1 ZINC000421828566 284750004 /nfs/dbraw/zinc/75/00/04/284750004.db2.gz DJDGRCYSTZMWBU-ARFHVFGLSA-N 1 3 282.472 3.187 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000639170777 379088525 /nfs/dbraw/zinc/08/85/25/379088525.db2.gz XVJXSHXSURAZRM-JZXOWHBKSA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000639170777 379088535 /nfs/dbraw/zinc/08/85/35/379088535.db2.gz XVJXSHXSURAZRM-JZXOWHBKSA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000639170777 379088545 /nfs/dbraw/zinc/08/85/45/379088545.db2.gz XVJXSHXSURAZRM-JZXOWHBKSA-N 1 3 290.451 3.083 20 0 CGADHO Cc1c[nH+]ccc1NC[C@@H](c1cccs1)N(C)C ZINC000191977001 542262469 /nfs/dbraw/zinc/26/24/69/542262469.db2.gz QPWWTSMFLPONNI-ZDUSSCGKSA-N 1 3 261.394 3.166 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCC1CCCC1 ZINC000371294445 379133006 /nfs/dbraw/zinc/13/30/06/379133006.db2.gz KVLQHKUUIHLILU-FGTMMUONSA-N 1 3 294.483 3.140 20 0 CGADHO Cc1ccc([C@H](C)NCC2CC[NH+](C3CC3)CC2)o1 ZINC000278386341 379368332 /nfs/dbraw/zinc/36/83/32/379368332.db2.gz FMOOKJTUKXHQNO-ZDUSSCGKSA-N 1 3 262.397 3.113 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682618 379546160 /nfs/dbraw/zinc/54/61/60/379546160.db2.gz ZQIDJAPRASRZFU-MRXNPFEDSA-N 1 3 281.403 3.355 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682618 379546168 /nfs/dbraw/zinc/54/61/68/379546168.db2.gz ZQIDJAPRASRZFU-MRXNPFEDSA-N 1 3 281.403 3.355 20 0 CGADHO CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000377626691 379709505 /nfs/dbraw/zinc/70/95/05/379709505.db2.gz NSWHVVBYBFCFJC-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000377626691 379709513 /nfs/dbraw/zinc/70/95/13/379709513.db2.gz NSWHVVBYBFCFJC-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO C[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CN1CCCC1 ZINC000280765163 379784450 /nfs/dbraw/zinc/78/44/50/379784450.db2.gz FTLSAVFVOPEIEV-YJBOKZPZSA-N 1 3 287.451 3.244 20 0 CGADHO NCC[C@H]1CCCC[N@@H+]1CCCCOc1ccccc1 ZINC000352508928 379839582 /nfs/dbraw/zinc/83/95/82/379839582.db2.gz IMMVRHIJDSFAGO-MRXNPFEDSA-N 1 3 276.424 3.049 20 0 CGADHO NCC[C@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000352508928 379839588 /nfs/dbraw/zinc/83/95/88/379839588.db2.gz IMMVRHIJDSFAGO-MRXNPFEDSA-N 1 3 276.424 3.049 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1CCCCOc1ccccc1 ZINC000352508928 379839594 /nfs/dbraw/zinc/83/95/94/379839594.db2.gz IMMVRHIJDSFAGO-MRXNPFEDSA-N 1 3 276.424 3.049 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000387654088 379878318 /nfs/dbraw/zinc/87/83/18/379878318.db2.gz LINIINRCDKKBGF-OAGGEKHMSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1ccsc1Br ZINC000388597592 379889830 /nfs/dbraw/zinc/88/98/30/379889830.db2.gz OYRDGUUWENIVEZ-VIFPVBQESA-N 1 3 291.258 3.118 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000388821109 379889983 /nfs/dbraw/zinc/88/99/83/379889983.db2.gz WHLJRZAINDWGRE-JKSUJKDBSA-N 1 3 262.441 3.103 20 0 CGADHO C[C@H](C[N@H+](C)CC[C@@H]1CCCN1C)c1ccccc1 ZINC000409445695 380033913 /nfs/dbraw/zinc/03/39/13/380033913.db2.gz HJRDQJULMOAVAL-WBVHZDCISA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](C[N@@H+](C)CC[C@@H]1CCCN1C)c1ccccc1 ZINC000409445695 380033916 /nfs/dbraw/zinc/03/39/16/380033916.db2.gz HJRDQJULMOAVAL-WBVHZDCISA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2n[nH]cc2c1 ZINC000353199550 380162940 /nfs/dbraw/zinc/16/29/40/380162940.db2.gz JQFZCBSHTMDWFU-BBRMVZONSA-N 1 3 286.423 3.088 20 0 CGADHO c1c[nH]c([C@@H](NCC[C@@H]2CCC[NH2+]C2)C2CCCCC2)n1 ZINC000643510697 380332536 /nfs/dbraw/zinc/33/25/36/380332536.db2.gz RUSQBDXVAWGHRP-HOCLYGCPSA-N 1 3 290.455 3.010 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000643512076 380333240 /nfs/dbraw/zinc/33/32/40/380333240.db2.gz HZCSZEIMLDMGSF-NFAWXSAZSA-N 1 3 266.454 3.176 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)CN)c1cccc2ccccc21 ZINC000643514827 380335599 /nfs/dbraw/zinc/33/55/99/380335599.db2.gz ODMGDKDABUEXHT-DYVFJYSZSA-N 1 3 256.393 3.475 20 0 CGADHO CC[C@H](NC[C@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643514827 380335601 /nfs/dbraw/zinc/33/56/01/380335601.db2.gz ODMGDKDABUEXHT-DYVFJYSZSA-N 1 3 256.393 3.475 20 0 CGADHO COCCC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000643521727 380337531 /nfs/dbraw/zinc/33/75/31/380337531.db2.gz ABYBRSGXKLCFQP-IRXDYDNUSA-N 1 3 294.414 3.025 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H](N)C1CC1 ZINC000643516642 380335829 /nfs/dbraw/zinc/33/58/29/380335829.db2.gz DKHQCZUUUFOWSP-RDJZCZTQSA-N 1 3 283.419 3.181 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)CN)c1cccc2ccccc21 ZINC000643514826 380336183 /nfs/dbraw/zinc/33/61/83/380336183.db2.gz ODMGDKDABUEXHT-CXAGYDPISA-N 1 3 256.393 3.475 20 0 CGADHO CC[C@@H](NC[C@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643514826 380336187 /nfs/dbraw/zinc/33/61/87/380336187.db2.gz ODMGDKDABUEXHT-CXAGYDPISA-N 1 3 256.393 3.475 20 0 CGADHO C[C@H](NCCCCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000643458409 380310232 /nfs/dbraw/zinc/31/02/32/380310232.db2.gz VRMUHQHFFGVWKU-RDJZCZTQSA-N 1 3 260.425 3.130 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCCNCC2)C2CC2)c1 ZINC000643464757 380313776 /nfs/dbraw/zinc/31/37/76/380313776.db2.gz FVXLCAKTLBOURR-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCCC[C@H]1C ZINC000643547543 380363670 /nfs/dbraw/zinc/36/36/70/380363670.db2.gz GSEAFFDQIWUDAC-WCVJEAGWSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682629 380371101 /nfs/dbraw/zinc/37/11/01/380371101.db2.gz YRUUORMOVRZLIN-UPJWGTAASA-N 1 3 282.378 3.346 20 0 CGADHO Cc1ccccc1C1CC(N(CCC[NH3+])C2CC2)C1 ZINC000414744607 380390610 /nfs/dbraw/zinc/39/06/10/380390610.db2.gz OPGOHZGLGFDJQW-UHFFFAOYSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1ccccc1C1CC([N@H+](CCCN)C2CC2)C1 ZINC000414744607 380390615 /nfs/dbraw/zinc/39/06/15/380390615.db2.gz OPGOHZGLGFDJQW-UHFFFAOYSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1ccccc1C1CC([N@@H+](CCCN)C2CC2)C1 ZINC000414744607 380390618 /nfs/dbraw/zinc/39/06/18/380390618.db2.gz OPGOHZGLGFDJQW-UHFFFAOYSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1ccc(CCC[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC000354135468 380340385 /nfs/dbraw/zinc/34/03/85/380340385.db2.gz ZGPCFDBZRDCBGQ-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO Cc1ccc(CCCNC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000354135468 380340395 /nfs/dbraw/zinc/34/03/95/380340395.db2.gz ZGPCFDBZRDCBGQ-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](C)N)c1ccc(C(F)(F)F)cc1 ZINC000643528106 380344732 /nfs/dbraw/zinc/34/47/32/380344732.db2.gz ZOOWOXZWICIIQO-ZWNOBZJWSA-N 1 3 274.330 3.339 20 0 CGADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)NC[C@H](C)[NH3+] ZINC000643527826 380345338 /nfs/dbraw/zinc/34/53/38/380345338.db2.gz TYYWCCOUSZWBIY-QWHCGFSZSA-N 1 3 273.424 3.161 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000643533853 380347981 /nfs/dbraw/zinc/34/79/81/380347981.db2.gz FZIDSRLSJJZZKQ-FZMZJTMJSA-N 1 3 264.800 3.133 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000643533852 380348362 /nfs/dbraw/zinc/34/83/62/380348362.db2.gz FZIDSRLSJJZZKQ-BXUZGUMPSA-N 1 3 264.800 3.133 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643537091 380353642 /nfs/dbraw/zinc/35/36/42/380353642.db2.gz ZEIJJRSRSYWVIR-AAEUAGOBSA-N 1 3 293.480 3.368 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546039 380357973 /nfs/dbraw/zinc/35/79/73/380357973.db2.gz HGRQLPPZJSNMHQ-YOEHRIQHSA-N 1 3 270.420 3.247 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc(Cl)cs1 ZINC000414812950 380424216 /nfs/dbraw/zinc/42/42/16/380424216.db2.gz XRYDZRHKTOVWAF-JOYOIKCWSA-N 1 3 258.818 3.009 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(F)cc1 ZINC000414814947 380425864 /nfs/dbraw/zinc/42/58/64/380425864.db2.gz ZPNHWCCUKMVNDQ-IVMMDQJWSA-N 1 3 264.388 3.036 20 0 CGADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000414825327 380433621 /nfs/dbraw/zinc/43/36/21/380433621.db2.gz HFTQJABNAQFROY-KTFSGNIMSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@@H](CCc1ccccc1F)NCC1([NH3+])CCCCC1 ZINC000414839771 380445304 /nfs/dbraw/zinc/44/53/04/380445304.db2.gz JJANIVDWXKAEIK-AWEZNQCLSA-N 1 3 278.415 3.398 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414852562 380453743 /nfs/dbraw/zinc/45/37/43/380453743.db2.gz KBPMQGYLHUJAAO-IJEWVQPXSA-N 1 3 252.446 3.323 20 0 CGADHO Clc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414785594 380403705 /nfs/dbraw/zinc/40/37/05/380403705.db2.gz SVLMUOUZPNHIID-NEPJUHHUSA-N 1 3 284.856 3.223 20 0 CGADHO CC(C)Oc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414792315 380406814 /nfs/dbraw/zinc/40/68/14/380406814.db2.gz CCJNOPWXCYHDCX-RDJZCZTQSA-N 1 3 276.424 3.081 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1csc2ccccc12 ZINC000414791612 380406959 /nfs/dbraw/zinc/40/69/59/380406959.db2.gz IABYTCVDXROXOP-SMDDNHRTSA-N 1 3 260.406 3.118 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414797234 380410710 /nfs/dbraw/zinc/41/07/10/380410710.db2.gz IKQQCKJRTPIXNG-KBAYOESNSA-N 1 3 274.452 3.362 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccc(OC)cc1 ZINC000414802974 380416690 /nfs/dbraw/zinc/41/66/90/380416690.db2.gz CGFCYALDMWSRPJ-AWEZNQCLSA-N 1 3 278.440 3.123 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414805276 380417915 /nfs/dbraw/zinc/41/79/15/380417915.db2.gz PMJOTNPROJQRHM-SJLPKXTDSA-N 1 3 290.451 3.343 20 0 CGADHO Cc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc2cccnc12 ZINC000414808654 380420036 /nfs/dbraw/zinc/42/00/36/380420036.db2.gz SLCGFKKJWQFMNY-DLBZAZTESA-N 1 3 283.419 3.150 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000414808930 380420440 /nfs/dbraw/zinc/42/04/40/380420440.db2.gz SULWZPYQZMJUQA-SZMVWBNQSA-N 1 3 274.452 3.423 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414811064 380421694 /nfs/dbraw/zinc/42/16/94/380421694.db2.gz WAIRPLLCTMUNMB-GRYCIOLGSA-N 1 3 266.351 3.215 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414922642 380490099 /nfs/dbraw/zinc/49/00/99/380490099.db2.gz GHBKEFHHURDULY-BGTYHANMSA-N 1 3 272.436 3.084 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000414926865 380491956 /nfs/dbraw/zinc/49/19/56/380491956.db2.gz NXTHHUYQMMLDRD-OLZOCXBDSA-N 1 3 252.789 3.008 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000414933153 380495792 /nfs/dbraw/zinc/49/57/92/380495792.db2.gz WSUWKAODADLSDZ-ROUUACIJSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414933485 380495971 /nfs/dbraw/zinc/49/59/71/380495971.db2.gz APJMQZKOOORFTF-XOYOTBSWSA-N 1 3 272.436 3.227 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)CC3 ZINC000414936404 380496510 /nfs/dbraw/zinc/49/65/10/380496510.db2.gz CTAIVKPRJJQSAL-CPUCHLNUSA-N 1 3 297.446 3.064 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414939749 380498570 /nfs/dbraw/zinc/49/85/70/380498570.db2.gz JNEUIXLALRGTEQ-OQIJWPOYSA-N 1 3 286.463 3.376 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC000414943300 380499506 /nfs/dbraw/zinc/49/95/06/380499506.db2.gz FGQDUIHYSYUWDG-ZOBUZTSGSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1cccc(CC[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414943300 380499510 /nfs/dbraw/zinc/49/95/10/380499510.db2.gz FGQDUIHYSYUWDG-ZOBUZTSGSA-N 1 3 260.425 3.046 20 0 CGADHO COc1cccc2c1CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000194837131 542277376 /nfs/dbraw/zinc/27/73/76/542277376.db2.gz IDOABMYSVQVQEW-KRWDZBQOSA-N 1 3 288.435 3.148 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414857601 380460689 /nfs/dbraw/zinc/46/06/89/380460689.db2.gz PSILTNXHDOIJAP-IIAWOOMASA-N 1 3 278.415 3.125 20 0 CGADHO CCCCCOc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414895908 380478708 /nfs/dbraw/zinc/47/87/08/380478708.db2.gz NTMFOFAWCKQECW-QGZVFWFLSA-N 1 3 276.424 3.083 20 0 CGADHO C[C@@H](NCCOCC1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419253272 380788483 /nfs/dbraw/zinc/78/84/83/380788483.db2.gz WNQFAIXLLHLJGK-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NCCOCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253272 380788490 /nfs/dbraw/zinc/78/84/90/380788490.db2.gz WNQFAIXLLHLJGK-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000419253272 380788494 /nfs/dbraw/zinc/78/84/94/380788494.db2.gz WNQFAIXLLHLJGK-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO Clc1ccc2c(c1)CN(CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420378431 380852764 /nfs/dbraw/zinc/85/27/64/380852764.db2.gz UICABLYNJOSGOW-CYBMUJFWSA-N 1 3 278.827 3.088 20 0 CGADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296192 381301614 /nfs/dbraw/zinc/30/16/14/381301614.db2.gz FGGTVHZMAVJIMX-ROUUACIJSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296192 381301621 /nfs/dbraw/zinc/30/16/21/381301621.db2.gz FGGTVHZMAVJIMX-ROUUACIJSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000358296192 381301626 /nfs/dbraw/zinc/30/16/26/381301626.db2.gz FGGTVHZMAVJIMX-ROUUACIJSA-N 1 3 284.447 3.008 20 0 CGADHO Cc1ccsc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334869066 207215813 /nfs/dbraw/zinc/21/58/13/207215813.db2.gz OKKGBWBHKNDVLZ-KGLIPLIRSA-N 1 3 264.438 3.021 20 0 CGADHO C[C@@H]1C[C@H](NC[C@H]2SCCc3ccccc32)CC[N@@H+]1C ZINC000361967761 381878405 /nfs/dbraw/zinc/87/84/05/381878405.db2.gz WSXKWVKELWYQEH-FRFSOERESA-N 1 3 290.476 3.089 20 0 CGADHO C[C@@H]1C[C@H](NC[C@H]2SCCc3ccccc32)CC[N@H+]1C ZINC000361967761 381878411 /nfs/dbraw/zinc/87/84/11/381878411.db2.gz WSXKWVKELWYQEH-FRFSOERESA-N 1 3 290.476 3.089 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362913208 382144626 /nfs/dbraw/zinc/14/46/26/382144626.db2.gz PZGPIVFIAYQKND-CYBMUJFWSA-N 1 3 289.398 3.129 20 0 CGADHO Fc1cc(F)cc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250726278 542344201 /nfs/dbraw/zinc/34/42/01/542344201.db2.gz COHPTKDPDDQEKW-GVDBMIGSSA-N 1 3 294.389 3.018 20 0 CGADHO C[C@H](CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000252456024 542350314 /nfs/dbraw/zinc/35/03/14/542350314.db2.gz CYBVPJCNUUNSSJ-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770426 220319162 /nfs/dbraw/zinc/31/91/62/220319162.db2.gz UQXLFBPVCRVMMA-GDBMZVCRSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000353770426 220319168 /nfs/dbraw/zinc/31/91/68/220319168.db2.gz UQXLFBPVCRVMMA-GDBMZVCRSA-N 1 3 285.435 3.473 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000502687237 285149057 /nfs/dbraw/zinc/14/90/57/285149057.db2.gz YXLAYYZHTZIKSI-XWTMOSNGSA-N 1 3 296.499 3.149 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@@H]2NCC(C)(C)[NH3+])cc1F ZINC000423286893 533139283 /nfs/dbraw/zinc/13/92/83/533139283.db2.gz JHXDKJYPWJLYFV-ZFWWWQNUSA-N 1 3 294.414 3.187 20 0 CGADHO CCc1cc(NCC[N@@H+](C)CC)c2ccccc2n1 ZINC000302004806 542414034 /nfs/dbraw/zinc/41/40/34/542414034.db2.gz ZKZOAUNWZSULLJ-UHFFFAOYSA-N 1 3 257.381 3.161 20 0 CGADHO CCc1cc(NCC[N@H+](C)CC)c2ccccc2n1 ZINC000302004806 542414036 /nfs/dbraw/zinc/41/40/36/542414036.db2.gz ZKZOAUNWZSULLJ-UHFFFAOYSA-N 1 3 257.381 3.161 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc2cnccc2c1)CN1CCCCC1 ZINC000319014651 542439261 /nfs/dbraw/zinc/43/92/61/542439261.db2.gz CBTKASMNDCWXSR-INIZCTEOSA-N 1 3 297.446 3.446 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000479475232 285264541 /nfs/dbraw/zinc/26/45/41/285264541.db2.gz FXAPABGIHSGZCX-BRWVUGGUSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cccs1 ZINC000339073121 542486181 /nfs/dbraw/zinc/48/61/81/542486181.db2.gz AEQWBBHDBYSHFD-KKUMJFAQSA-N 1 3 278.465 3.143 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccs1 ZINC000339073121 542486182 /nfs/dbraw/zinc/48/61/82/542486182.db2.gz AEQWBBHDBYSHFD-KKUMJFAQSA-N 1 3 278.465 3.143 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN1CCCC1)CC2 ZINC000092837283 533298091 /nfs/dbraw/zinc/29/80/91/533298091.db2.gz AEOSSOJMWYBRAA-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(F)c2ccccc21 ZINC000423303277 533408655 /nfs/dbraw/zinc/40/86/55/533408655.db2.gz ISWCOIDRIBRPGX-NWDGAFQWSA-N 1 3 260.356 3.224 20 0 CGADHO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423532901 533507772 /nfs/dbraw/zinc/50/77/72/533507772.db2.gz RXOWXVJUCIPNKI-JCGIZDLHSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423530049 533510908 /nfs/dbraw/zinc/51/09/08/533510908.db2.gz PCFPVOPOLCFAMK-KDOFPFPSSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)NCC[C@H]1CCC[NH2+]1 ZINC000423354476 533656248 /nfs/dbraw/zinc/65/62/48/533656248.db2.gz GFOIPACSRBFTMT-SWLSCSKDSA-N 1 3 282.378 3.018 20 0 CGADHO COc1cc(C)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000449171235 533664675 /nfs/dbraw/zinc/66/46/75/533664675.db2.gz HTKPQJSZEGWIBS-ALOPSCKCSA-N 1 3 288.435 3.109 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000394195303 542613420 /nfs/dbraw/zinc/61/34/20/542613420.db2.gz IBVGXHRTUIYRRM-BBWFWOEESA-N 1 3 258.409 3.199 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000394195303 542613426 /nfs/dbraw/zinc/61/34/26/542613426.db2.gz IBVGXHRTUIYRRM-BBWFWOEESA-N 1 3 258.409 3.199 20 0 CGADHO C[C@H]1CCN(CCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414699005 542637980 /nfs/dbraw/zinc/63/79/80/542637980.db2.gz DROVBBDCEUNSSH-SMDDNHRTSA-N 1 3 286.341 3.437 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2csc3ccccc23)C1 ZINC000054463626 392093173 /nfs/dbraw/zinc/09/31/73/392093173.db2.gz BTGDRNHGMVYOCG-ZDUSSCGKSA-N 1 3 274.433 3.333 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2csc3ccccc23)C1 ZINC000054463626 392093180 /nfs/dbraw/zinc/09/31/80/392093180.db2.gz BTGDRNHGMVYOCG-ZDUSSCGKSA-N 1 3 274.433 3.333 20 0 CGADHO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)c2ccccc2n1 ZINC000070073910 392176628 /nfs/dbraw/zinc/17/66/28/392176628.db2.gz HTNPBJNYOREASO-AWEZNQCLSA-N 1 3 269.392 3.108 20 0 CGADHO Cc1cc(N2CCC[C@H](CC[NH3+])C2)c2ccccc2n1 ZINC000070073909 392177325 /nfs/dbraw/zinc/17/73/25/392177325.db2.gz HTNPBJNYOREASO-CQSZACIVSA-N 1 3 269.392 3.108 20 0 CGADHO c1ccc(C[C@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000415089578 285479771 /nfs/dbraw/zinc/47/97/71/285479771.db2.gz YYHSHZWAYHOJFU-AEFFLSMTSA-N 1 3 272.436 3.130 20 0 CGADHO c1cc2c(cc1CNC1CC[NH+](C3CC3)CC1)CCCC2 ZINC000291856554 392493077 /nfs/dbraw/zinc/49/30/77/392493077.db2.gz DYHJFJFCWWLKTH-UHFFFAOYSA-N 1 3 284.447 3.282 20 0 CGADHO Cc1cc(C[NH2+]CCCN2CCCCC2)cs1 ZINC000292785978 392511003 /nfs/dbraw/zinc/51/10/03/392511003.db2.gz VBQLXWWQMNPPOA-UHFFFAOYSA-N 1 3 252.427 3.022 20 0 CGADHO COc1cccc([C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158621452 392572732 /nfs/dbraw/zinc/57/27/32/392572732.db2.gz XNKAWFSMXIPZJR-QGPMSJSTSA-N 1 3 288.435 3.172 20 0 CGADHO COc1cccc([C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158621452 392572738 /nfs/dbraw/zinc/57/27/38/392572738.db2.gz XNKAWFSMXIPZJR-QGPMSJSTSA-N 1 3 288.435 3.172 20 0 CGADHO C[NH+](C)CCC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177735341 392667424 /nfs/dbraw/zinc/66/74/24/392667424.db2.gz GNJIIAZQDWMJPU-GOSISDBHSA-N 1 3 290.426 3.477 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418148 392725283 /nfs/dbraw/zinc/72/52/83/392725283.db2.gz RNGYBYSUWUXOTK-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418148 392725290 /nfs/dbraw/zinc/72/52/90/392725290.db2.gz RNGYBYSUWUXOTK-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418148 392725298 /nfs/dbraw/zinc/72/52/98/392725298.db2.gz RNGYBYSUWUXOTK-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO Cc1ccc(C)c(C[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647482935 392737352 /nfs/dbraw/zinc/73/73/52/392737352.db2.gz KUODLYVTJYVEAO-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1ccc(C)c(C[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647482935 392737356 /nfs/dbraw/zinc/73/73/56/392737356.db2.gz KUODLYVTJYVEAO-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO CC[C@H]1C[N@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1N ZINC000647497454 392740926 /nfs/dbraw/zinc/74/09/26/392740926.db2.gz IJJGAFMXNBPBAR-WMZOPIPTSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@@H]1N ZINC000647497454 392740928 /nfs/dbraw/zinc/74/09/28/392740928.db2.gz IJJGAFMXNBPBAR-WMZOPIPTSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH3+] ZINC000647498675 392742661 /nfs/dbraw/zinc/74/26/61/392742661.db2.gz MSOBQYGCXWPSRG-VQIMIIECSA-N 1 3 295.430 3.308 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H](C)CCc2ccccc2)CC[C@H]1N ZINC000647499107 392742863 /nfs/dbraw/zinc/74/28/63/392742863.db2.gz ZNPBSZWFGRNXRQ-KBAYOESNSA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H](C)CCc2ccccc2)CC[C@H]1N ZINC000647499107 392742865 /nfs/dbraw/zinc/74/28/65/392742865.db2.gz ZNPBSZWFGRNXRQ-KBAYOESNSA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1CN(C[C@H](C)CCc2ccccc2)CC[C@H]1[NH3+] ZINC000647499107 392742869 /nfs/dbraw/zinc/74/28/69/392742869.db2.gz ZNPBSZWFGRNXRQ-KBAYOESNSA-N 1 3 274.452 3.315 20 0 CGADHO C[NH2+]CCC1CCN(Cc2nccc3ccccc32)CC1 ZINC000647509959 392744445 /nfs/dbraw/zinc/74/44/45/392744445.db2.gz LKPHRNZVJHVKNJ-UHFFFAOYSA-N 1 3 283.419 3.056 20 0 CGADHO C(CN1CCC[C@@H](C[C@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000375244475 392752810 /nfs/dbraw/zinc/75/28/10/392752810.db2.gz GPHQLMVHDXEJDN-ZWKOTPCHSA-N 1 3 294.483 3.001 20 0 CGADHO Cc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000647542078 392757549 /nfs/dbraw/zinc/75/75/49/392757549.db2.gz SGVRSJVPHYGWCF-INIZCTEOSA-N 1 3 292.854 3.470 20 0 CGADHO Fc1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543294 392760987 /nfs/dbraw/zinc/76/09/87/392760987.db2.gz KQKNZIJJSSEGFE-GJZGRUSLSA-N 1 3 276.399 3.037 20 0 CGADHO C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)F ZINC000647800603 392801932 /nfs/dbraw/zinc/80/19/32/392801932.db2.gz HOQFVVUAIWAHFF-BIMULSAOSA-N 1 3 254.324 3.012 20 0 CGADHO C[C@@H]1CCC[C@@H](CCN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815285 392808111 /nfs/dbraw/zinc/80/81/11/392808111.db2.gz XNNRFZJHNDRZHE-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO C([C@@H]1CCSC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000375749186 392815176 /nfs/dbraw/zinc/81/51/76/392815176.db2.gz MXXGDJKSAYKQGC-IRXDYDNUSA-N 1 3 296.524 3.328 20 0 CGADHO CN(CCCC1CC[NH2+]CC1)Cc1ccc(F)cc1F ZINC000647874673 392820956 /nfs/dbraw/zinc/82/09/56/392820956.db2.gz LYJNEACLRABXLK-UHFFFAOYSA-N 1 3 282.378 3.176 20 0 CGADHO CCC1CCC(N(C[C@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000647880376 392822317 /nfs/dbraw/zinc/82/23/17/392822317.db2.gz PVKOZBWPBRHANW-SLTAFYQDSA-N 1 3 250.430 3.029 20 0 CGADHO Clc1ccc(CCN(CC2CC2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647885922 392826120 /nfs/dbraw/zinc/82/61/20/392826120.db2.gz LKWZBMKZSOXMIZ-MRXNPFEDSA-N 1 3 292.854 3.204 20 0 CGADHO CCCCN(C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000647886812 392826771 /nfs/dbraw/zinc/82/67/71/392826771.db2.gz XMWYQYCEULDDKY-HOTGVXAUSA-N 1 3 260.425 3.459 20 0 CGADHO C[NH+]1CCC2(CC1)CN(CCC1CCCCCC1)CCO2 ZINC000648072052 392904835 /nfs/dbraw/zinc/90/48/35/392904835.db2.gz JJXZJTXAUJIWLY-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@@H](CNC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000376026407 392854758 /nfs/dbraw/zinc/85/47/58/392854758.db2.gz ACNSEZOROVBDJU-ZLPCBKJTSA-N 1 3 272.436 3.397 20 0 CGADHO CC(C)CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000647990861 392858561 /nfs/dbraw/zinc/85/85/61/392858561.db2.gz ORJVOOOLTGNJQH-DOTOQJQBSA-N 1 3 287.451 3.027 20 0 CGADHO C(CC1CC[NH2+]CC1)CN1CCO[C@H](C2CCCCC2)C1 ZINC000647990735 392858588 /nfs/dbraw/zinc/85/85/88/392858588.db2.gz ABCCSJIKNDOZPR-SFHVURJKSA-N 1 3 294.483 3.047 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2(C3CC3)CCC2)c2ccccc21 ZINC000391478832 392927620 /nfs/dbraw/zinc/92/76/20/392927620.db2.gz YALIIBQNPQBQLR-JKSUJKDBSA-N 1 3 256.393 3.301 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514094416 542733958 /nfs/dbraw/zinc/73/39/58/542733958.db2.gz NCBZFHAOTOIRPA-KBPBESRZSA-N 1 3 252.446 3.320 20 0 CGADHO CC(C)N1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000232659189 393026745 /nfs/dbraw/zinc/02/67/45/393026745.db2.gz PCXQGYHWFWVVEP-SFHVURJKSA-N 1 3 288.435 3.232 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000340507191 392974883 /nfs/dbraw/zinc/97/48/83/392974883.db2.gz WLULENPDKUHDND-OIISXLGYSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000340507191 392974886 /nfs/dbraw/zinc/97/48/86/392974886.db2.gz WLULENPDKUHDND-OIISXLGYSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(-c2cccc(F)c2)s1)[C@H](C)N ZINC000415006621 393091156 /nfs/dbraw/zinc/09/11/56/393091156.db2.gz KSHCLGWFJVOAPZ-WDEREUQCSA-N 1 3 278.396 3.380 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1csc(C(C)(C)C)n1 ZINC000415006779 393091536 /nfs/dbraw/zinc/09/15/36/393091536.db2.gz AFFJZRNYPSCLAO-LLVKDONJSA-N 1 3 269.458 3.048 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000415032734 393104861 /nfs/dbraw/zinc/10/48/61/393104861.db2.gz IEXHWDHPZSDLOQ-CABZTGNLSA-N 1 3 273.207 3.210 20 0 CGADHO Clc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414778502 393054008 /nfs/dbraw/zinc/05/40/08/393054008.db2.gz IYLHTZICZOTSRO-CABCVRRESA-N 1 3 278.827 3.162 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)C[C@H]1C ZINC000414825810 393055089 /nfs/dbraw/zinc/05/50/89/393055089.db2.gz HTNACFXIQUHJNV-UGUYLWEFSA-N 1 3 252.446 3.036 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCNCC1(C)C ZINC000414960150 393067909 /nfs/dbraw/zinc/06/79/09/393067909.db2.gz AEWYCSGOPFDUOR-HNNXBMFYSA-N 1 3 280.843 3.435 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNCC1(C)C)c1cccc(Cl)c1 ZINC000414963927 393068536 /nfs/dbraw/zinc/06/85/36/393068536.db2.gz DMCPSBFSYMTQED-IUODEOHRSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC1(C)C)c1cccc(Cl)c1 ZINC000414963927 393068541 /nfs/dbraw/zinc/06/85/41/393068541.db2.gz DMCPSBFSYMTQED-IUODEOHRSA-N 1 3 280.843 3.421 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2cccc(Cl)c2F)C1 ZINC000414985868 393080949 /nfs/dbraw/zinc/08/09/49/393080949.db2.gz BQEQGAUDZQLWTE-PWSUYJOCSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)c1ccccc1 ZINC000415054404 393117592 /nfs/dbraw/zinc/11/75/92/393117592.db2.gz PVLYVDGSUHEQTN-AYOQOUSVSA-N 1 3 280.415 3.135 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000348250144 393118550 /nfs/dbraw/zinc/11/85/50/393118550.db2.gz WGGOBKOYTXDYEG-WNRNVDISSA-N 1 3 272.436 3.253 20 0 CGADHO Cc1nc(C)c(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415060399 393121637 /nfs/dbraw/zinc/12/16/37/393121637.db2.gz WQKHJLUXQZWKLZ-HNNXBMFYSA-N 1 3 289.448 3.330 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H]1CCCC[NH2+]C1)CC3 ZINC000415071707 393128601 /nfs/dbraw/zinc/12/86/01/393128601.db2.gz UIUCQVIXWKAHOD-LSDHHAIUSA-N 1 3 297.446 3.065 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H](N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000415080486 393133335 /nfs/dbraw/zinc/13/33/35/393133335.db2.gz YPBHJTLXDFEAKK-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000415080728 393134826 /nfs/dbraw/zinc/13/48/26/393134826.db2.gz JXMIGYFBMFOUTO-QSPRXWTASA-N 1 3 292.492 3.437 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1cccc(Cl)c1 ZINC000415087661 393138620 /nfs/dbraw/zinc/13/86/20/393138620.db2.gz LEUDJCMPXDNQDS-WFASDCNBSA-N 1 3 266.816 3.003 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415089354 393140227 /nfs/dbraw/zinc/14/02/27/393140227.db2.gz WLDCXBMPKDWUCX-OTWHNJEPSA-N 1 3 286.463 3.356 20 0 CGADHO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000261809338 393143507 /nfs/dbraw/zinc/14/35/07/393143507.db2.gz HNYHTZUTHUPBEH-XYJFISCASA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000261809338 393143513 /nfs/dbraw/zinc/14/35/13/393143513.db2.gz HNYHTZUTHUPBEH-XYJFISCASA-N 1 3 272.436 3.172 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000415135398 393155238 /nfs/dbraw/zinc/15/52/38/393155238.db2.gz WQJLCKWBGYOZKC-SOLBZPMBSA-N 1 3 274.452 3.172 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000415135398 393155245 /nfs/dbraw/zinc/15/52/45/393155245.db2.gz WQJLCKWBGYOZKC-SOLBZPMBSA-N 1 3 274.452 3.172 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415132420 393156432 /nfs/dbraw/zinc/15/64/32/393156432.db2.gz UEJUXZDLZGIBBZ-UXLLHSPISA-N 1 3 260.425 3.097 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415132420 393156435 /nfs/dbraw/zinc/15/64/35/393156435.db2.gz UEJUXZDLZGIBBZ-UXLLHSPISA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000470300763 393238052 /nfs/dbraw/zinc/23/80/52/393238052.db2.gz XFBBTINLTBVXPU-RTBURBONSA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000470300763 393238060 /nfs/dbraw/zinc/23/80/60/393238060.db2.gz XFBBTINLTBVXPU-RTBURBONSA-N 1 3 286.463 3.379 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000472041507 393327708 /nfs/dbraw/zinc/32/77/08/393327708.db2.gz NEWVKYZVNVXTAF-HNNXBMFYSA-N 1 3 285.435 3.216 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000355581033 393331097 /nfs/dbraw/zinc/33/10/97/393331097.db2.gz JFMFKMQVCMMSLU-ZIAGYGMSSA-N 1 3 252.446 3.275 20 0 CGADHO CN(C)Cc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647169897 393366500 /nfs/dbraw/zinc/36/65/00/393366500.db2.gz FWKGAUQLIJYDTA-UHFFFAOYSA-N 1 3 282.378 3.416 20 0 CGADHO C[C@H](C[N@@H+]1CCCC12CCN(C)CC2)c1ccc(F)cc1 ZINC000475122595 393373886 /nfs/dbraw/zinc/37/38/86/393373886.db2.gz UENKBGTWZNTFEI-OAHLLOKOSA-N 1 3 290.426 3.489 20 0 CGADHO C[C@H](C[N@H+]1CCCC12CCN(C)CC2)c1ccc(F)cc1 ZINC000475122595 393373891 /nfs/dbraw/zinc/37/38/91/393373891.db2.gz UENKBGTWZNTFEI-OAHLLOKOSA-N 1 3 290.426 3.489 20 0 CGADHO COc1ccc([C@H](CC(C)C)NCCC[NH+](C)C)cc1 ZINC000647280414 393421979 /nfs/dbraw/zinc/42/19/79/393421979.db2.gz MARHWLQNIVYGQD-KRWDZBQOSA-N 1 3 278.440 3.324 20 0 CGADHO Cc1cccc(C)c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420390963 393481645 /nfs/dbraw/zinc/48/16/45/393481645.db2.gz ICKBUYUMSAMDGD-FUHWJXTLSA-N 1 3 272.436 3.267 20 0 CGADHO [NH3+]CCCN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420392455 393482207 /nfs/dbraw/zinc/48/22/07/393482207.db2.gz BMZGMGPETNABTG-AWEZNQCLSA-N 1 3 252.789 3.120 20 0 CGADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)c(Cl)c1 ZINC000420326835 393467575 /nfs/dbraw/zinc/46/75/75/393467575.db2.gz XWFKCONGFAETRY-NSHDSACASA-N 1 3 287.234 3.425 20 0 CGADHO CC(C)CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000429349237 393470373 /nfs/dbraw/zinc/47/03/73/393470373.db2.gz MGADBFVQONYCAF-RDJZCZTQSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000429349237 393470382 /nfs/dbraw/zinc/47/03/82/393470382.db2.gz MGADBFVQONYCAF-RDJZCZTQSA-N 1 3 264.457 3.371 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@H]1CCNCC1(C)C ZINC000420359826 393475544 /nfs/dbraw/zinc/47/55/44/393475544.db2.gz KOALXWKIBAAXIM-INIZCTEOSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@H]1CC[NH2+]CC1(C)C ZINC000420359826 393475549 /nfs/dbraw/zinc/47/55/49/393475549.db2.gz KOALXWKIBAAXIM-INIZCTEOSA-N 1 3 290.451 3.050 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419660 393505983 /nfs/dbraw/zinc/50/59/83/393505983.db2.gz HIEIOKRISUPWRV-QLFBSQMISA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419660 393505986 /nfs/dbraw/zinc/50/59/86/393505986.db2.gz HIEIOKRISUPWRV-QLFBSQMISA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419660 393505989 /nfs/dbraw/zinc/50/59/89/393505989.db2.gz HIEIOKRISUPWRV-QLFBSQMISA-N 1 3 284.513 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488429748 393509705 /nfs/dbraw/zinc/50/97/05/393509705.db2.gz DCWHYOZZOATCFB-YJNKXOJESA-N 1 3 284.513 3.369 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488428480 393510078 /nfs/dbraw/zinc/51/00/78/393510078.db2.gz HQLKJVMCOBGCDG-JKSUJKDBSA-N 1 3 284.513 3.227 20 0 CGADHO CCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCOCC1 ZINC000359111820 393537071 /nfs/dbraw/zinc/53/70/71/393537071.db2.gz ABPQWHOJBAWQHV-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954818 393555715 /nfs/dbraw/zinc/55/57/15/393555715.db2.gz VKPQHMMARSZHJG-QWHCGFSZSA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954818 393555718 /nfs/dbraw/zinc/55/57/18/393555718.db2.gz VKPQHMMARSZHJG-QWHCGFSZSA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708182 393574702 /nfs/dbraw/zinc/57/47/02/393574702.db2.gz QNLHMDLRMQVCEN-QGZVFWFLSA-N 1 3 284.447 3.408 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708182 393574711 /nfs/dbraw/zinc/57/47/11/393574711.db2.gz QNLHMDLRMQVCEN-QGZVFWFLSA-N 1 3 284.447 3.408 20 0 CGADHO Cc1cccc(C)c1OCCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430560009 393575268 /nfs/dbraw/zinc/57/52/68/393575268.db2.gz YFECTLWEYYFRMR-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO Cc1ccc(SCCN[C@](C)(C[NH3+])C2CC2)cc1C ZINC000430569417 393577094 /nfs/dbraw/zinc/57/70/94/393577094.db2.gz IRLYMTLGBPOYLZ-MRXNPFEDSA-N 1 3 278.465 3.113 20 0 CGADHO Cc1ccc2oc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2c1 ZINC000666743443 542812271 /nfs/dbraw/zinc/81/22/71/542812271.db2.gz JKHYWMIQOYCUHR-CJNGLKHVSA-N 1 3 272.392 3.348 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000666857601 542821686 /nfs/dbraw/zinc/82/16/86/542821686.db2.gz AJXWGZLTZZBFST-IXDOHACOSA-N 1 3 276.399 3.194 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000666857635 542821817 /nfs/dbraw/zinc/82/18/17/542821817.db2.gz CJLUSACQPSIMMT-DLBZAZTESA-N 1 3 260.425 3.048 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318919 393602341 /nfs/dbraw/zinc/60/23/41/393602341.db2.gz IZDZXHAYTIUGRJ-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318919 393602345 /nfs/dbraw/zinc/60/23/45/393602345.db2.gz IZDZXHAYTIUGRJ-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CC[NH2+]CC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000430577588 393578381 /nfs/dbraw/zinc/57/83/81/393578381.db2.gz CNCNCAXWIJADBM-KRWDZBQOSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420819 393613073 /nfs/dbraw/zinc/61/30/73/393613073.db2.gz DEAJYNPMUQCLAT-CABCVRRESA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420819 393613075 /nfs/dbraw/zinc/61/30/75/393613075.db2.gz DEAJYNPMUQCLAT-CABCVRRESA-N 1 3 296.480 3.290 20 0 CGADHO CCOCCC1(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422892659 393645902 /nfs/dbraw/zinc/64/59/02/393645902.db2.gz ZANDNZVQXPJZHW-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)CCCC[NH3+] ZINC000422912222 393646190 /nfs/dbraw/zinc/64/61/90/393646190.db2.gz MSEDDPIRDFZLRM-UONOGXRCSA-N 1 3 288.439 3.224 20 0 CGADHO CC(C)(C)c1nc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cs1 ZINC000423021634 393648691 /nfs/dbraw/zinc/64/86/91/393648691.db2.gz FRFLBSYNKRZXFK-TZMCWYRMSA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1nc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000423021634 393648695 /nfs/dbraw/zinc/64/86/95/393648695.db2.gz FRFLBSYNKRZXFK-TZMCWYRMSA-N 1 3 295.496 3.090 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000423056220 393650143 /nfs/dbraw/zinc/65/01/43/393650143.db2.gz XPWINDVPAYYEEP-RDBSUJKOSA-N 1 3 264.438 3.375 20 0 CGADHO C[C@@H]1CC[C@@H](NC[C@H]2CCC[NH2+]C2)c2sccc21 ZINC000423219453 393655097 /nfs/dbraw/zinc/65/50/97/393655097.db2.gz WUSXFBBALWBTOO-MBNYWOFBSA-N 1 3 264.438 3.276 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCNC2)c2sccc21 ZINC000423219453 393655099 /nfs/dbraw/zinc/65/50/99/393655099.db2.gz WUSXFBBALWBTOO-MBNYWOFBSA-N 1 3 264.438 3.276 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423257951 393656476 /nfs/dbraw/zinc/65/64/76/393656476.db2.gz AVCLTTBVZVJHBC-GXTWGEPZSA-N 1 3 282.428 3.326 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000423265762 393657463 /nfs/dbraw/zinc/65/74/63/393657463.db2.gz CYNORPXNCQKDHP-ZVZYQTTQSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1ccc(-n2ccnc2)cc1 ZINC000423265762 393657465 /nfs/dbraw/zinc/65/74/65/393657465.db2.gz CYNORPXNCQKDHP-ZVZYQTTQSA-N 1 3 298.434 3.040 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423264865 393657638 /nfs/dbraw/zinc/65/76/38/393657638.db2.gz CJGKQCQFQHDXPS-ARFHVFGLSA-N 1 3 260.425 3.142 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423285092 393659569 /nfs/dbraw/zinc/65/95/69/393659569.db2.gz YVKDJWKRYSJOOS-LESCRADOSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(-n2cccn2)cc1 ZINC000423285092 393659572 /nfs/dbraw/zinc/65/95/72/393659572.db2.gz YVKDJWKRYSJOOS-LESCRADOSA-N 1 3 298.434 3.040 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](N)C2CC2)c2ccccc21 ZINC000423339158 393662641 /nfs/dbraw/zinc/66/26/41/393662641.db2.gz ZGSDDXYDYGRHJO-GVDBMIGSSA-N 1 3 258.409 3.198 20 0 CGADHO [NH3+]C[C@@H](N[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531467 393671582 /nfs/dbraw/zinc/67/15/82/393671582.db2.gz QKSSURRZOQKKCR-DLBZAZTESA-N 1 3 258.409 3.171 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000435380034 393714853 /nfs/dbraw/zinc/71/48/53/393714853.db2.gz PEYWFJNPKANZRP-YOEHRIQHSA-N 1 3 260.425 3.022 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000443890682 393776535 /nfs/dbraw/zinc/77/65/35/393776535.db2.gz XDOIWCKWTZHIQH-DZGCQCFKSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000443890682 393776537 /nfs/dbraw/zinc/77/65/37/393776537.db2.gz XDOIWCKWTZHIQH-DZGCQCFKSA-N 1 3 283.419 3.114 20 0 CGADHO CCC[C@H](C)[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000500100606 393818032 /nfs/dbraw/zinc/81/80/32/393818032.db2.gz YPTMGBOYAJEUTH-ULQDDVLXSA-N 1 3 296.499 3.386 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000502022760 393867439 /nfs/dbraw/zinc/86/74/39/393867439.db2.gz ZZSYVEPYXPJBON-FPCVCCKLSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H](C)O ZINC000449538042 393888876 /nfs/dbraw/zinc/88/88/76/393888876.db2.gz GUPSLFABTVTSOO-ZBFHGGJFSA-N 1 3 298.515 3.415 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[C@@H](C)O ZINC000449538042 393888878 /nfs/dbraw/zinc/88/88/78/393888878.db2.gz GUPSLFABTVTSOO-ZBFHGGJFSA-N 1 3 298.515 3.415 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000666995019 542832371 /nfs/dbraw/zinc/83/23/71/542832371.db2.gz AHNRCPFEHABQTJ-LEUOFYLZSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@@H]1[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000666995019 542832372 /nfs/dbraw/zinc/83/23/72/542832372.db2.gz AHNRCPFEHABQTJ-LEUOFYLZSA-N 1 3 284.447 3.443 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccncc1 ZINC000453068194 394160651 /nfs/dbraw/zinc/16/06/51/394160651.db2.gz XOPCMJRTDXVMJZ-NVXWUHKLSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc(OCCN(C)C)c1 ZINC000453231464 394213587 /nfs/dbraw/zinc/21/35/87/394213587.db2.gz FOHZBZOEKDQPEL-BZOOQXSSSA-N 1 3 294.414 3.168 20 0 CGADHO CCCc1csc(CNCCCC[N@H+](C)C2CC2)n1 ZINC000453594422 394253159 /nfs/dbraw/zinc/25/31/59/394253159.db2.gz IOCSVHNOAFHCNC-UHFFFAOYSA-N 1 3 281.469 3.060 20 0 CGADHO CCCc1csc(CNCCCC[N@@H+](C)C2CC2)n1 ZINC000453594422 394253161 /nfs/dbraw/zinc/25/31/61/394253161.db2.gz IOCSVHNOAFHCNC-UHFFFAOYSA-N 1 3 281.469 3.060 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000668819930 543066229 /nfs/dbraw/zinc/06/62/29/543066229.db2.gz QQQDBOUXOKSZHI-WBVHZDCISA-N 1 3 266.473 3.380 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)C(C)(C)C ZINC000670265732 543148100 /nfs/dbraw/zinc/14/81/00/543148100.db2.gz ZIZYOUULFOXRKA-ILXRZTDVSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)C(C)(C)C ZINC000670265732 543148102 /nfs/dbraw/zinc/14/81/02/543148102.db2.gz ZIZYOUULFOXRKA-ILXRZTDVSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302441645 397676453 /nfs/dbraw/zinc/67/64/53/397676453.db2.gz WLGBJGTVHLHRLU-XHSDSOJGSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1CCN ZINC000650711967 397899355 /nfs/dbraw/zinc/89/93/55/397899355.db2.gz LDALYAPEMOAZMM-LAVFITLUSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1CCN ZINC000650711967 397899358 /nfs/dbraw/zinc/89/93/58/397899358.db2.gz LDALYAPEMOAZMM-LAVFITLUSA-N 1 3 272.436 3.239 20 0 CGADHO [NH3+]CC1(CCNCc2ncc(-c3ccccc3)s2)CC1 ZINC000650713327 397899447 /nfs/dbraw/zinc/89/94/47/397899447.db2.gz OTMJUHFLCQTBIV-UHFFFAOYSA-N 1 3 287.432 3.029 20 0 CGADHO [NH3+]CC1(CCNCc2csc(Cl)c2Cl)CC1 ZINC000650713796 397899704 /nfs/dbraw/zinc/89/97/04/397899704.db2.gz CCJKPOXEKOUZQO-UHFFFAOYSA-N 1 3 279.236 3.274 20 0 CGADHO Cc1ccccc1C[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650718161 397901364 /nfs/dbraw/zinc/90/13/64/397901364.db2.gz ZWDMNMQCNKFCBL-CQSZACIVSA-N 1 3 286.394 3.314 20 0 CGADHO Cc1ccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677235891 543440560 /nfs/dbraw/zinc/44/05/60/543440560.db2.gz JFHDXFFQUROAJO-RTBURBONSA-N 1 3 286.463 3.452 20 0 CGADHO Cc1ccc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677235891 543440563 /nfs/dbraw/zinc/44/05/63/543440563.db2.gz JFHDXFFQUROAJO-RTBURBONSA-N 1 3 286.463 3.452 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677240763 543441471 /nfs/dbraw/zinc/44/14/71/543441471.db2.gz KBQKCMJGLKHJCL-WDSOQIARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677240763 543441472 /nfs/dbraw/zinc/44/14/72/543441472.db2.gz KBQKCMJGLKHJCL-WDSOQIARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCN3CCC[C@H]3C2)c(C)c1 ZINC000677240763 543441473 /nfs/dbraw/zinc/44/14/73/543441473.db2.gz KBQKCMJGLKHJCL-WDSOQIARSA-N 1 3 286.463 3.451 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C12CCC2 ZINC000346857348 286387446 /nfs/dbraw/zinc/38/74/46/286387446.db2.gz GAKFQKGBGDKOMZ-YESZJQIVSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000346857348 286387448 /nfs/dbraw/zinc/38/74/48/286387448.db2.gz GAKFQKGBGDKOMZ-YESZJQIVSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](NCC1(C2CCC2)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000423165670 287017475 /nfs/dbraw/zinc/01/74/75/287017475.db2.gz QBEXUKFIDODGCW-HIFRSBDPSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)CN1CCCC1 ZINC000081639087 287075794 /nfs/dbraw/zinc/07/57/94/287075794.db2.gz NMMBVJLAWDSFAU-HYVNUMGLSA-N 1 3 264.457 3.277 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(Br)c1 ZINC000089145651 165198826 /nfs/dbraw/zinc/19/88/26/165198826.db2.gz SQALSUWASHPJPR-JSGCOSHPSA-N 1 3 297.240 3.056 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000090585606 287102738 /nfs/dbraw/zinc/10/27/38/287102738.db2.gz GZDSAYQCSZIGGG-LSDHHAIUSA-N 1 3 254.462 3.379 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccs1 ZINC000089145728 165199883 /nfs/dbraw/zinc/19/98/83/165199883.db2.gz VWJSVDSLWQVDGL-AGIUHOORSA-N 1 3 252.427 3.306 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1cccs1 ZINC000089145728 165199885 /nfs/dbraw/zinc/19/98/85/165199885.db2.gz VWJSVDSLWQVDGL-AGIUHOORSA-N 1 3 252.427 3.306 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585790 287102997 /nfs/dbraw/zinc/10/29/97/287102997.db2.gz DLVIPVJULYSJBT-JKSUJKDBSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585790 287103000 /nfs/dbraw/zinc/10/30/00/287103000.db2.gz DLVIPVJULYSJBT-JKSUJKDBSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585790 287103002 /nfs/dbraw/zinc/10/30/02/287103002.db2.gz DLVIPVJULYSJBT-JKSUJKDBSA-N 1 3 296.499 3.290 20 0 CGADHO c1ccc2c(c1)SCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000020129071 171015907 /nfs/dbraw/zinc/01/59/07/171015907.db2.gz YXMMSDYKUPHMDN-HNNXBMFYSA-N 1 3 276.449 3.299 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000038098017 174112032 /nfs/dbraw/zinc/11/20/32/174112032.db2.gz QIWXDRYGPRHTAJ-CQSZACIVSA-N 1 3 272.436 3.310 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCSC2)CC1 ZINC000358191937 287311437 /nfs/dbraw/zinc/31/14/37/287311437.db2.gz POCIMYMHSLPQNM-FVQBIDKESA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000358191937 287311441 /nfs/dbraw/zinc/31/14/41/287311441.db2.gz POCIMYMHSLPQNM-FVQBIDKESA-N 1 3 282.497 3.125 20 0 CGADHO C(CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814420 416535968 /nfs/dbraw/zinc/53/59/68/416535968.db2.gz SEIWGASVYRLTGF-ZWKOTPCHSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cccc3cccnc32)[C@@H]1CCN ZINC000404360270 416551698 /nfs/dbraw/zinc/55/16/98/416551698.db2.gz DWTVWXCJMWCRKX-WMLDXEAASA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@@H]1CCN ZINC000404360270 416551705 /nfs/dbraw/zinc/55/17/05/416551705.db2.gz DWTVWXCJMWCRKX-WMLDXEAASA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCCN(Cc2cccc3cccnc32)[C@@H]1CC[NH3+] ZINC000404360270 416551710 /nfs/dbraw/zinc/55/17/10/416551710.db2.gz DWTVWXCJMWCRKX-WMLDXEAASA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](CCCc2ccccc2)[C@@H]1CCN ZINC000404412390 416554304 /nfs/dbraw/zinc/55/43/04/416554304.db2.gz YQQVUUPGUVIRHF-DOTOQJQBSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCc2ccccc2)[C@@H]1CCN ZINC000404412390 416554308 /nfs/dbraw/zinc/55/43/08/416554308.db2.gz YQQVUUPGUVIRHF-DOTOQJQBSA-N 1 3 260.425 3.069 20 0 CGADHO CCO[C@@H]1CN([C@H](C)c2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405492622 416558291 /nfs/dbraw/zinc/55/82/91/416558291.db2.gz ADJXVUHYRJYMCE-NIKGAXFTSA-N 1 3 298.430 3.196 20 0 CGADHO C[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccncc2)CC1 ZINC000680326106 543697624 /nfs/dbraw/zinc/69/76/24/543697624.db2.gz CQXNDLBZVMTZKJ-JKSUJKDBSA-N 1 3 273.424 3.030 20 0 CGADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679722220 543658582 /nfs/dbraw/zinc/65/85/82/543658582.db2.gz ZNEGMWSZZOKIJE-RCCFBDPRSA-N 1 3 272.436 3.285 20 0 CGADHO CCc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000130653108 287360462 /nfs/dbraw/zinc/36/04/62/287360462.db2.gz BHTBRNVKPHAAFI-HNNXBMFYSA-N 1 3 278.440 3.444 20 0 CGADHO CCc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000130653108 287360466 /nfs/dbraw/zinc/36/04/66/287360466.db2.gz BHTBRNVKPHAAFI-HNNXBMFYSA-N 1 3 278.440 3.444 20 0 CGADHO CCc1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000130657554 287360472 /nfs/dbraw/zinc/36/04/72/287360472.db2.gz AWSICCCFMQCVIX-UHFFFAOYSA-N 1 3 278.440 3.444 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000132128957 287397487 /nfs/dbraw/zinc/39/74/87/287397487.db2.gz JSSVYYSLQXRQIV-XJKSGUPXSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@H]1CCCN(C2CCC2)C1 ZINC000683888805 543949863 /nfs/dbraw/zinc/94/98/63/543949863.db2.gz KXWGCBACJOVPFG-BBWFWOEESA-N 1 3 294.483 3.046 20 0 CGADHO CSc1ccccc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355854 418955916 /nfs/dbraw/zinc/95/59/16/418955916.db2.gz JZMKYOXPYZEIBY-HIFRSBDPSA-N 1 3 278.465 3.358 20 0 CGADHO CC(C)c1cccc(C[N@@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000659924252 419034467 /nfs/dbraw/zinc/03/44/67/419034467.db2.gz DDTQZYXKMWZEHZ-MRXNPFEDSA-N 1 3 260.425 3.194 20 0 CGADHO CC(C)c1cccc(C[N@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000659924252 419034469 /nfs/dbraw/zinc/03/44/69/419034469.db2.gz DDTQZYXKMWZEHZ-MRXNPFEDSA-N 1 3 260.425 3.194 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000665234451 419086460 /nfs/dbraw/zinc/08/64/60/419086460.db2.gz DAOGFFRUEQSNLK-ARFHVFGLSA-N 1 3 264.388 3.006 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000665234452 419087497 /nfs/dbraw/zinc/08/74/97/419087497.db2.gz DAOGFFRUEQSNLK-BZUAXINKSA-N 1 3 264.388 3.006 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273821 419097908 /nfs/dbraw/zinc/09/79/08/419097908.db2.gz DUQIACGUGOQRBA-RJZJGCCBSA-N 1 3 272.383 3.062 20 0 CGADHO CC1(C)[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1(F)F ZINC000665274089 419098061 /nfs/dbraw/zinc/09/80/61/419098061.db2.gz JKSROHOVHVEEBE-SYQHCUMBSA-N 1 3 286.410 3.178 20 0 CGADHO CC1(C)C[C@]1(C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665275100 419098383 /nfs/dbraw/zinc/09/83/83/419098383.db2.gz BWNKXVBXKIQDIM-JLSDUUJJSA-N 1 3 286.419 3.021 20 0 CGADHO CC(C)CC[C@H]([NH2+]CC12CC(C1)CN2)C(C)(C)C ZINC000665279778 419101614 /nfs/dbraw/zinc/10/16/14/419101614.db2.gz MBAHOSKLYJZRKX-BBBYJDLNSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)CC[C@H](NCC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000665279778 419101616 /nfs/dbraw/zinc/10/16/16/419101616.db2.gz MBAHOSKLYJZRKX-BBBYJDLNSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000665279751 419101730 /nfs/dbraw/zinc/10/17/30/419101730.db2.gz LGBSLIKDAPYLLV-CVEARBPZSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)[C@H](N)CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000665282438 419102750 /nfs/dbraw/zinc/10/27/50/419102750.db2.gz YGKGSJRNTUBSCR-BDVYOWHSSA-N 1 3 282.472 3.220 20 0 CGADHO COc1ccc([C@@H](NCC[C@@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000665281253 419102930 /nfs/dbraw/zinc/10/29/30/419102930.db2.gz YJBUFDYSAHWURB-SJORKVTESA-N 1 3 278.440 3.355 20 0 CGADHO COc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000665283371 419103617 /nfs/dbraw/zinc/10/36/17/419103617.db2.gz MRPVTQBJFGMZFV-XJKSGUPXSA-N 1 3 264.413 3.028 20 0 CGADHO CC[C@H](OCCN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656193238 419148200 /nfs/dbraw/zinc/14/82/00/419148200.db2.gz BMYAKLNNKBCTPG-BBWFWOEESA-N 1 3 276.424 3.014 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000656197328 419148473 /nfs/dbraw/zinc/14/84/73/419148473.db2.gz ZLMSSXXKVFGJHQ-IAGOWNOFSA-N 1 3 272.436 3.358 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)c1ccc(F)cc1 ZINC000656682537 419200876 /nfs/dbraw/zinc/20/08/76/419200876.db2.gz UETUARQPCLBNIY-IUODEOHRSA-N 1 3 252.377 3.207 20 0 CGADHO CCC[NH+]1CCC(Nc2ccc(CN(C)C)cc2F)CC1 ZINC000666415276 419214408 /nfs/dbraw/zinc/21/44/08/419214408.db2.gz PHMIZAYMPFXNOJ-UHFFFAOYSA-N 1 3 293.430 3.174 20 0 CGADHO Cc1ccc(F)cc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786804 419219552 /nfs/dbraw/zinc/21/95/52/419219552.db2.gz QVSUEBWMTQDFGS-INIZCTEOSA-N 1 3 290.426 3.346 20 0 CGADHO Cc1cc(F)ccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785998 419219778 /nfs/dbraw/zinc/21/97/78/419219778.db2.gz PJQNTCWEMGBXML-INIZCTEOSA-N 1 3 290.426 3.346 20 0 CGADHO C[C@@H]1CCCN(Cc2ccncc2Cl)[C@@H]1CCC[NH3+] ZINC000662318105 419390435 /nfs/dbraw/zinc/39/04/35/419390435.db2.gz VWRSEVHLBNWZNM-IUODEOHRSA-N 1 3 281.831 3.074 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000662243446 419369912 /nfs/dbraw/zinc/36/99/12/419369912.db2.gz BFZZCCKCNHNKLY-WMLDXEAASA-N 1 3 260.425 3.369 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833122 419378425 /nfs/dbraw/zinc/37/84/25/419378425.db2.gz DVQNXYAPTUBPGR-VXGBXAGGSA-N 1 3 295.377 3.154 20 0 CGADHO CC(C)(C)c1cccc(C[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000662278648 419382560 /nfs/dbraw/zinc/38/25/60/419382560.db2.gz ZXDFCEXWJOSSIC-MRXNPFEDSA-N 1 3 274.452 3.462 20 0 CGADHO Cc1ccc2c(c1)CN(Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662298821 419387558 /nfs/dbraw/zinc/38/75/58/419387558.db2.gz HLHAQXOBHLNDNC-UHFFFAOYSA-N 1 3 292.426 3.199 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccn1 ZINC000658064485 419539639 /nfs/dbraw/zinc/53/96/39/419539639.db2.gz OEVCKWFAVKGDTG-CQSZACIVSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccccn1 ZINC000658064485 419539650 /nfs/dbraw/zinc/53/96/50/419539650.db2.gz OEVCKWFAVKGDTG-CQSZACIVSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1OCCN(C)C ZINC000186297567 287556488 /nfs/dbraw/zinc/55/64/88/287556488.db2.gz QJFHGNVGEZQPGC-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1cccc(OC2CCCC2)c1 ZINC000663497528 419635831 /nfs/dbraw/zinc/63/58/31/419635831.db2.gz BPOVVQGDFILDIN-GOSISDBHSA-N 1 3 290.451 3.471 20 0 CGADHO C[C@@H](C[NH2+]CC12CC(C1)CN2)c1ccc(C(F)(F)F)cc1 ZINC000663499160 419635981 /nfs/dbraw/zinc/63/59/81/419635981.db2.gz BKTNFMWBLGRUMN-BZUNDVKYSA-N 1 3 298.352 3.151 20 0 CGADHO C[C@H](C[NH2+]CC12CC(C1)CN2)c1ccc(C(F)(F)F)cc1 ZINC000663499161 419636038 /nfs/dbraw/zinc/63/60/38/419636038.db2.gz BKTNFMWBLGRUMN-XIKARTHZSA-N 1 3 298.352 3.151 20 0 CGADHO Cc1cc(CNCC[C@@H]([NH3+])C(C)C)ccc1C(F)(F)F ZINC000663502167 419636072 /nfs/dbraw/zinc/63/60/72/419636072.db2.gz CZFGYMCJUMNMGG-CQSZACIVSA-N 1 3 288.357 3.477 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]CC[C@@H](N)C(C)C ZINC000663502445 419636168 /nfs/dbraw/zinc/63/61/68/419636168.db2.gz JBIVDUATPNQDHF-IAGOWNOFSA-N 1 3 262.441 3.361 20 0 CGADHO CCC[C@H](Cc1ccccc1)NCC[C@@H]([NH3+])C(C)C ZINC000663502445 419636173 /nfs/dbraw/zinc/63/61/73/419636173.db2.gz JBIVDUATPNQDHF-IAGOWNOFSA-N 1 3 262.441 3.361 20 0 CGADHO Clc1cccc(Cl)c1CCC[NH2+]CC12CC(C1)CN2 ZINC000663501887 419636445 /nfs/dbraw/zinc/63/64/45/419636445.db2.gz ZEPMIENDYJGGDT-UHFFFAOYSA-N 1 3 299.245 3.268 20 0 CGADHO C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663467275 419619739 /nfs/dbraw/zinc/61/97/39/419619739.db2.gz ZTZGPFYXUGZXRT-JKSUJKDBSA-N 1 3 262.441 3.031 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccccc1 ZINC000663470173 419626464 /nfs/dbraw/zinc/62/64/64/419626464.db2.gz SQVJZWCAMZHCOQ-RDJZCZTQSA-N 1 3 272.436 3.459 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164684 419626491 /nfs/dbraw/zinc/62/64/91/419626491.db2.gz OHDSZOLPXAFQIM-MSOLQXFVSA-N 1 3 287.451 3.072 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2ccc3ccccc3c2)C1 ZINC000044535739 270036189 /nfs/dbraw/zinc/03/61/89/270036189.db2.gz LQFBCZYKSJXPJT-MRXNPFEDSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2ccc3ccccc3c2)C1 ZINC000044535739 270036190 /nfs/dbraw/zinc/03/61/90/270036190.db2.gz LQFBCZYKSJXPJT-MRXNPFEDSA-N 1 3 268.404 3.271 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000186211905 270065079 /nfs/dbraw/zinc/06/50/79/270065079.db2.gz VZUIANHQVNDJJR-LBPRGKRZSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CCSCC1 ZINC000187013335 270067651 /nfs/dbraw/zinc/06/76/51/270067651.db2.gz PCZSCVWVMAQLRO-OAGGEKHMSA-N 1 3 298.540 3.476 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190667169 270073736 /nfs/dbraw/zinc/07/37/36/270073736.db2.gz UNQXDHOYAFHNJH-UHFFFAOYSA-N 1 3 290.451 3.153 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000227911190 270087497 /nfs/dbraw/zinc/08/74/97/270087497.db2.gz KOBWNALZDHYNLB-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000227911190 270087498 /nfs/dbraw/zinc/08/74/98/270087498.db2.gz KOBWNALZDHYNLB-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO CN(C)CC[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)(C)C ZINC000522557888 270106485 /nfs/dbraw/zinc/10/64/85/270106485.db2.gz KWFBVWKLRJVOGD-INIZCTEOSA-N 1 3 288.439 3.019 20 0 CGADHO CN(C)CC[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)(C)C ZINC000522557888 270106486 /nfs/dbraw/zinc/10/64/86/270106486.db2.gz KWFBVWKLRJVOGD-INIZCTEOSA-N 1 3 288.439 3.019 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000523297408 270108201 /nfs/dbraw/zinc/10/82/01/270108201.db2.gz RENAGIWBAAFIOH-HKBKRHGFSA-N 1 3 258.409 3.021 20 0 CGADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000523297408 270108202 /nfs/dbraw/zinc/10/82/02/270108202.db2.gz RENAGIWBAAFIOH-HKBKRHGFSA-N 1 3 258.409 3.021 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000523297408 270108203 /nfs/dbraw/zinc/10/82/03/270108203.db2.gz RENAGIWBAAFIOH-HKBKRHGFSA-N 1 3 258.409 3.021 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527921777 270144219 /nfs/dbraw/zinc/14/42/19/270144219.db2.gz UYAINYOKHDIUSA-YJBOKZPZSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527921777 270144220 /nfs/dbraw/zinc/14/42/20/270144220.db2.gz UYAINYOKHDIUSA-YJBOKZPZSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527921773 270144270 /nfs/dbraw/zinc/14/42/70/270144270.db2.gz UYAINYOKHDIUSA-MAUKXSAKSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527921773 270144271 /nfs/dbraw/zinc/14/42/71/270144271.db2.gz UYAINYOKHDIUSA-MAUKXSAKSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@H]1C[C@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000527990175 270149214 /nfs/dbraw/zinc/14/92/14/270149214.db2.gz KKBAOVDVSGDLKW-PEYYIBSZSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]1C[C@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000527990175 270149215 /nfs/dbraw/zinc/14/92/15/270149215.db2.gz KKBAOVDVSGDLKW-PEYYIBSZSA-N 1 3 278.827 3.400 20 0 CGADHO CC[C@@H]1CCCN1C[C@@H](C)C[N@@H+]1CCC[C@@H]1CC ZINC000533287172 270223178 /nfs/dbraw/zinc/22/31/78/270223178.db2.gz UNGKUOMOTGVBGD-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@@H]1CCCN1C[C@@H](C)C[N@H+]1CCC[C@@H]1CC ZINC000533287172 270223179 /nfs/dbraw/zinc/22/31/79/270223179.db2.gz UNGKUOMOTGVBGD-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@@H]1CCC[N@H+]1C[C@@H](C)CN1CCC[C@@H]1CC ZINC000533287172 270223180 /nfs/dbraw/zinc/22/31/80/270223180.db2.gz UNGKUOMOTGVBGD-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@@H]1CCC[N@@H+]1C[C@@H](C)CN1CCC[C@@H]1CC ZINC000533287172 270223181 /nfs/dbraw/zinc/22/31/81/270223181.db2.gz UNGKUOMOTGVBGD-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2ccc(Br)cc21 ZINC000423306836 274214262 /nfs/dbraw/zinc/21/42/62/274214262.db2.gz MCBIOHDUPBMOPL-HZMBPMFUSA-N 1 3 297.240 3.011 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)N ZINC000261559544 274255527 /nfs/dbraw/zinc/25/55/27/274255527.db2.gz DRSOZXUJUWDONS-AEJSXWLSSA-N 1 3 260.303 3.092 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2cc(Cl)ccc21 ZINC000422946251 274496378 /nfs/dbraw/zinc/49/63/78/274496378.db2.gz OMZDAZBLIVRBJQ-RBZYPMLTSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)CN1CCCC1 ZINC000252088904 287838786 /nfs/dbraw/zinc/83/87/86/287838786.db2.gz DGLOHPLPSBYPPO-FXUDXRNXSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422880507 275741281 /nfs/dbraw/zinc/74/12/81/275741281.db2.gz OCJWBCAEPUZODB-PBHICJAKSA-N 1 3 260.425 3.288 20 0 CGADHO CC1(C)C[C@@H](N[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000422987151 275862000 /nfs/dbraw/zinc/86/20/00/275862000.db2.gz FMDNZJJGBFJSCM-XJKSGUPXSA-N 1 3 258.409 3.141 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414948665 276042564 /nfs/dbraw/zinc/04/25/64/276042564.db2.gz MNAJGGMLGBXMDH-USXIJHARSA-N 1 3 260.425 3.128 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000414983383 276138245 /nfs/dbraw/zinc/13/82/45/276138245.db2.gz ZOPXLUDJSIFWSF-HNNXBMFYSA-N 1 3 252.446 3.325 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000337986675 276771846 /nfs/dbraw/zinc/77/18/46/276771846.db2.gz POWLLBNJJXJYNL-MSOLQXFVSA-N 1 3 272.436 3.417 20 0 CGADHO COC[C@H](CC(C)C)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000480599948 277259693 /nfs/dbraw/zinc/25/96/93/277259693.db2.gz FBFDXNFFUHNGAT-ULQDDVLXSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000480599948 277259694 /nfs/dbraw/zinc/25/96/94/277259694.db2.gz FBFDXNFFUHNGAT-ULQDDVLXSA-N 1 3 284.488 3.005 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336731972 277394866 /nfs/dbraw/zinc/39/48/66/277394866.db2.gz RSHUUMYUUVQPJJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000336731972 277394867 /nfs/dbraw/zinc/39/48/67/277394867.db2.gz RSHUUMYUUVQPJJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000336731972 277394869 /nfs/dbraw/zinc/39/48/69/277394869.db2.gz RSHUUMYUUVQPJJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000090585615 277396867 /nfs/dbraw/zinc/39/68/67/277396867.db2.gz JSVRTEXWRVJADK-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO COc1ccc([C@@H](C)NCCCC[NH+](C)C)c(Cl)c1 ZINC000424262129 277924217 /nfs/dbraw/zinc/92/42/17/277924217.db2.gz DFHMLORQDVOSJG-GFCCVEGCSA-N 1 3 284.831 3.341 20 0 CGADHO CCC(CC)(CC)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000395213601 288007482 /nfs/dbraw/zinc/00/74/82/288007482.db2.gz JMBAAPQEUPIHLY-YIONKMFJSA-N 1 3 252.446 3.418 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CCC23CCC3)CC(C)(C)N1 ZINC000336339367 278190907 /nfs/dbraw/zinc/19/09/07/278190907.db2.gz LKOPHOWMTZZFNL-ZDUSSCGKSA-N 1 3 250.430 3.218 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1CC1(C)C ZINC000397664944 288026483 /nfs/dbraw/zinc/02/64/83/288026483.db2.gz DFFUWWTYIHWBCD-WCQYABFASA-N 1 3 252.446 3.320 20 0 CGADHO C[C@@H](NC[C@H]1CCCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423127579 278353973 /nfs/dbraw/zinc/35/39/73/278353973.db2.gz JSNXGUQYXRCQRI-HZSPNIEDSA-N 1 3 274.399 3.322 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000021808002 278540524 /nfs/dbraw/zinc/54/05/24/278540524.db2.gz GATRKWZUXCKXIE-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CCC1CCC(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422708312 278650483 /nfs/dbraw/zinc/65/04/83/278650483.db2.gz BMSMWIDHYDGQIZ-LMPOIIKSSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)C[C@@H](c2ccccc2)C1 ZINC000414788932 278917047 /nfs/dbraw/zinc/91/70/47/278917047.db2.gz NEPNUGLJRGDYGL-QILLFSRXSA-N 1 3 272.436 3.300 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000459406154 288090353 /nfs/dbraw/zinc/09/03/53/288090353.db2.gz KVDAGTFDDKFENS-MRXNPFEDSA-N 1 3 275.440 3.465 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000423059863 279082638 /nfs/dbraw/zinc/08/26/38/279082638.db2.gz MYKRFGVSMITWGT-KCQAQPDRSA-N 1 3 275.440 3.468 20 0 CGADHO CCN(CC)CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000514244233 279096209 /nfs/dbraw/zinc/09/62/09/279096209.db2.gz FBFDOUYUEQFFLS-HRCADAONSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000514244233 279096212 /nfs/dbraw/zinc/09/62/12/279096212.db2.gz FBFDOUYUEQFFLS-HRCADAONSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@H+]1CCCN1CCCCC1 ZINC000444595384 279134302 /nfs/dbraw/zinc/13/43/02/279134302.db2.gz JECDLKYSYYCZIL-MRXNPFEDSA-N 1 3 272.436 3.482 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@@H+]1CCCN1CCCCC1 ZINC000444595384 279134305 /nfs/dbraw/zinc/13/43/05/279134305.db2.gz JECDLKYSYYCZIL-MRXNPFEDSA-N 1 3 272.436 3.482 20 0 CGADHO CC(C)Oc1ccccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459745034 288100870 /nfs/dbraw/zinc/10/08/70/288100870.db2.gz YKBRUUKSQYBNRL-INIZCTEOSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)Oc1ccccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459745034 288100873 /nfs/dbraw/zinc/10/08/73/288100873.db2.gz YKBRUUKSQYBNRL-INIZCTEOSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H](CC(C)(C)O)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449448112 279248557 /nfs/dbraw/zinc/24/85/57/279248557.db2.gz FCLFGPCDGHHQMQ-INMHGKMJSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](CC(C)(C)O)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449448112 279248558 /nfs/dbraw/zinc/24/85/58/279248558.db2.gz FCLFGPCDGHHQMQ-INMHGKMJSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@@H](CN1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528289 279320809 /nfs/dbraw/zinc/32/08/09/279320809.db2.gz YUQKIOVSWBJODW-PFJGLKMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@@H](CN1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528289 279320810 /nfs/dbraw/zinc/32/08/10/279320810.db2.gz YUQKIOVSWBJODW-PFJGLKMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CC[C@H]2CCC[C@H]21)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528289 279320814 /nfs/dbraw/zinc/32/08/14/279320814.db2.gz YUQKIOVSWBJODW-PFJGLKMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CC[C@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528289 279320819 /nfs/dbraw/zinc/32/08/19/279320819.db2.gz YUQKIOVSWBJODW-PFJGLKMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)NCC[C@H](C)[NH3+] ZINC000414819320 279377182 /nfs/dbraw/zinc/37/71/82/279377182.db2.gz HEZRCJHMCNXJOD-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC[C@H](C)N ZINC000414819320 279377186 /nfs/dbraw/zinc/37/71/86/279377186.db2.gz HEZRCJHMCNXJOD-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCC(F)(F)CC1 ZINC000423372815 279536493 /nfs/dbraw/zinc/53/64/93/279536493.db2.gz HFFKKZCIZFLOFX-UHTWSYAYSA-N 1 3 260.372 3.060 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561709 280012936 /nfs/dbraw/zinc/01/29/36/280012936.db2.gz OZYVKTMQOZFZBM-XGWLTEMNSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561709 280012938 /nfs/dbraw/zinc/01/29/38/280012938.db2.gz OZYVKTMQOZFZBM-XGWLTEMNSA-N 1 3 276.399 3.275 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000368752910 280270301 /nfs/dbraw/zinc/27/03/01/280270301.db2.gz FSHXGMDFJDWCPU-FHWLQOOXSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368752910 280270303 /nfs/dbraw/zinc/27/03/03/280270303.db2.gz FSHXGMDFJDWCPU-FHWLQOOXSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368752910 280270306 /nfs/dbraw/zinc/27/03/06/280270306.db2.gz FSHXGMDFJDWCPU-FHWLQOOXSA-N 1 3 286.463 3.470 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)[C@@H](C)C2 ZINC000180095350 281092648 /nfs/dbraw/zinc/09/26/48/281092648.db2.gz WIORRIUXJWBBHJ-DOXZYTNZSA-N 1 3 284.447 3.302 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)[C@@H](C)C2 ZINC000180095350 281092651 /nfs/dbraw/zinc/09/26/51/281092651.db2.gz WIORRIUXJWBBHJ-DOXZYTNZSA-N 1 3 284.447 3.302 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211656 288300383 /nfs/dbraw/zinc/30/03/83/288300383.db2.gz PHPUAFFPXXHVGU-HUUCEWRRSA-N 1 3 272.417 3.385 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[NH2+]CC1)CCC2 ZINC000423133981 281122746 /nfs/dbraw/zinc/12/27/46/281122746.db2.gz RAMRWQVTZYOEAF-NVXWUHKLSA-N 1 3 258.409 3.104 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423396000 281123572 /nfs/dbraw/zinc/12/35/72/281123572.db2.gz SBWTYJPSCZSZCJ-ZMSDIMECSA-N 1 3 258.409 3.232 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000423029307 281125893 /nfs/dbraw/zinc/12/58/93/281125893.db2.gz UOMCYZORHAWUOS-HYVNUMGLSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1CN)CCC2 ZINC000423029307 281125894 /nfs/dbraw/zinc/12/58/94/281125894.db2.gz UOMCYZORHAWUOS-HYVNUMGLSA-N 1 3 258.409 3.089 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530177862 288295527 /nfs/dbraw/zinc/29/55/27/288295527.db2.gz JABHLMIYPJZFOW-HZSPNIEDSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530177862 288295529 /nfs/dbraw/zinc/29/55/29/288295529.db2.gz JABHLMIYPJZFOW-HZSPNIEDSA-N 1 3 250.430 3.075 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCc3ccccc3CC2)C1 ZINC000530213713 288300844 /nfs/dbraw/zinc/30/08/44/288300844.db2.gz VOFBMIMTAGWSRR-ZWKOTPCHSA-N 1 3 272.436 3.041 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000488717128 281170392 /nfs/dbraw/zinc/17/03/92/281170392.db2.gz KGUIIWNGRLEPFF-GOSISDBHSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000488717128 281170393 /nfs/dbraw/zinc/17/03/93/281170393.db2.gz KGUIIWNGRLEPFF-GOSISDBHSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2CCCCC2)n1 ZINC000161610576 281252500 /nfs/dbraw/zinc/25/25/00/281252500.db2.gz UTRFMEQRMKVTFU-SFHVURJKSA-N 1 3 287.451 3.403 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2CCCN2CCCCC2)n1 ZINC000161610576 281252501 /nfs/dbraw/zinc/25/25/01/281252501.db2.gz UTRFMEQRMKVTFU-SFHVURJKSA-N 1 3 287.451 3.403 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000533531846 288385404 /nfs/dbraw/zinc/38/54/04/288385404.db2.gz KNSDOMKRHLSFES-YJBOKZPZSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000533531846 288385405 /nfs/dbraw/zinc/38/54/05/288385405.db2.gz KNSDOMKRHLSFES-YJBOKZPZSA-N 1 3 274.452 3.411 20 0 CGADHO CC1(C)C[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000543770386 288819675 /nfs/dbraw/zinc/81/96/75/288819675.db2.gz CNXIIGZOHRBTFI-AWEZNQCLSA-N 1 3 264.457 3.419 20 0 CGADHO CCCCOCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627611 289079765 /nfs/dbraw/zinc/07/97/65/289079765.db2.gz NHLWJTKHOWPAOB-QZTJIDSGSA-N 1 3 290.451 3.228 20 0 CGADHO CCCCOCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627611 289079768 /nfs/dbraw/zinc/07/97/68/289079768.db2.gz NHLWJTKHOWPAOB-QZTJIDSGSA-N 1 3 290.451 3.228 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000261832305 290020227 /nfs/dbraw/zinc/02/02/27/290020227.db2.gz UVWSFAUFVKRPSW-QWQRMKEZSA-N 1 3 272.436 3.214 20 0 CGADHO Clc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000335483252 294107159 /nfs/dbraw/zinc/10/71/59/294107159.db2.gz LUJSXGUKABAVFQ-CVEARBPZSA-N 1 3 278.827 3.318 20 0 CGADHO COc1ccc([C@H](N[C@H]2CCC[C@H]([NH3+])C2)C(C)C)cc1 ZINC000423400452 295246397 /nfs/dbraw/zinc/24/63/97/295246397.db2.gz VKIQVHWKAXJICU-YQQAZPJKSA-N 1 3 276.424 3.252 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089143486 295248448 /nfs/dbraw/zinc/24/84/48/295248448.db2.gz RJMWSFFGOSIMAT-WTIISPKJSA-N 1 3 278.362 3.215 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422761798 295270941 /nfs/dbraw/zinc/27/09/41/295270941.db2.gz HQQWJYXJGKIERU-DOMZBBRYSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423397710 297108301 /nfs/dbraw/zinc/10/83/01/297108301.db2.gz OLCAQMSAJMXLEL-SIXLDLHFSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423397710 297108302 /nfs/dbraw/zinc/10/83/02/297108302.db2.gz OLCAQMSAJMXLEL-SIXLDLHFSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423407134 297110057 /nfs/dbraw/zinc/11/00/57/297110057.db2.gz VJZXUUMBPFOQQK-CSMYWGQOSA-N 1 3 292.854 3.249 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000261589300 300325723 /nfs/dbraw/zinc/32/57/23/300325723.db2.gz WGSKHGUMINWGPN-GXTWGEPZSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cc(C)c2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423392465 301213091 /nfs/dbraw/zinc/21/30/91/301213091.db2.gz QFPKAXSOTDRCTF-ZMSDIMECSA-N 1 3 288.435 3.377 20 0 CGADHO Cc1cc(C)c2c(c1)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423392464 301213455 /nfs/dbraw/zinc/21/34/55/301213455.db2.gz QFPKAXSOTDRCTF-YQQAZPJKSA-N 1 3 288.435 3.377 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]C[C@H](C)CN(C)C)C1CC1 ZINC000425932119 302102753 /nfs/dbraw/zinc/10/27/53/302102753.db2.gz ORJHJGQPDMQGQL-KSSFIOAISA-N 1 3 274.452 3.103 20 0 CGADHO Cc1cncc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000184493002 302382622 /nfs/dbraw/zinc/38/26/22/302382622.db2.gz VUVFRKVJCWPESL-OAHLLOKOSA-N 1 3 275.440 3.163 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2C[NH2+][C@H]2CCCNCC2)cc1 ZINC000423152736 304855501 /nfs/dbraw/zinc/85/55/01/304855501.db2.gz FLMPMRPAUYPSCZ-BZSNNMDCSA-N 1 3 272.436 3.302 20 0 CGADHO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCCN2CCCCC2)C1 ZINC000366002330 533699607 /nfs/dbraw/zinc/69/96/07/533699607.db2.gz UXJHHHFWHFYFFK-AEFFLSMTSA-N 1 3 287.451 3.341 20 0 CGADHO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCCN2CCCCC2)C1 ZINC000366002330 533699610 /nfs/dbraw/zinc/69/96/10/533699610.db2.gz UXJHHHFWHFYFFK-AEFFLSMTSA-N 1 3 287.451 3.341 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000582116254 327876877 /nfs/dbraw/zinc/87/68/77/327876877.db2.gz KWDADBSBOGZVGQ-CRAIPNDOSA-N 1 3 290.451 3.219 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@H]2CCC[C@H](N)C2)[C@@H]1c1ccccc1 ZINC000563425358 321997098 /nfs/dbraw/zinc/99/70/98/321997098.db2.gz OOWYCKLNWVMNAG-QAETUUGQSA-N 1 3 272.436 3.286 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000563484111 322000238 /nfs/dbraw/zinc/00/02/38/322000238.db2.gz YJXZDJKVTNILCS-IAGOWNOFSA-N 1 3 274.452 3.246 20 0 CGADHO CCCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000564657319 322037864 /nfs/dbraw/zinc/03/78/64/322037864.db2.gz YVNWSIBVMOCDCV-ZIAGYGMSSA-N 1 3 294.439 3.090 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)CCc1ccc(F)cc1 ZINC000565298413 322071960 /nfs/dbraw/zinc/07/19/60/322071960.db2.gz GKNCBQNEUNLOMW-AWEZNQCLSA-N 1 3 266.404 3.125 20 0 CGADHO CC(C)NCCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000565298413 322071961 /nfs/dbraw/zinc/07/19/61/322071961.db2.gz GKNCBQNEUNLOMW-AWEZNQCLSA-N 1 3 266.404 3.125 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000565658583 322086035 /nfs/dbraw/zinc/08/60/35/322086035.db2.gz PPRQFUNMIZXHHN-NXNVCVFFSA-N 1 3 260.425 3.212 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ccc(-c3ccncc3)cc2F)C1 ZINC000566666301 322133732 /nfs/dbraw/zinc/13/37/32/322133732.db2.gz FROGBIOYOOMFCB-CXAGYDPISA-N 1 3 299.393 3.105 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000566974392 322145180 /nfs/dbraw/zinc/14/51/80/322145180.db2.gz UOIOOAATPMJJAL-INIZCTEOSA-N 1 3 284.428 3.472 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)c1 ZINC000568248538 322200498 /nfs/dbraw/zinc/20/04/98/322200498.db2.gz UFTSHRLFTWFPIZ-XIRDDKMYSA-N 1 3 260.425 3.094 20 0 CGADHO Cc1cc(CNCc2ccc(C[NH3+])cc2)c(C)s1 ZINC000572522611 322341237 /nfs/dbraw/zinc/34/12/37/322341237.db2.gz IDGHIHLRQOVGRK-UHFFFAOYSA-N 1 3 260.406 3.113 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000572625719 322347104 /nfs/dbraw/zinc/34/71/04/322347104.db2.gz UGPMRDILGSWKTB-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000572625719 322347107 /nfs/dbraw/zinc/34/71/07/322347107.db2.gz UGPMRDILGSWKTB-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000572625719 322347111 /nfs/dbraw/zinc/34/71/11/322347111.db2.gz UGPMRDILGSWKTB-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000572625719 322347114 /nfs/dbraw/zinc/34/71/14/322347114.db2.gz UGPMRDILGSWKTB-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000572625720 322347391 /nfs/dbraw/zinc/34/73/91/322347391.db2.gz UGPMRDILGSWKTB-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000572625720 322347393 /nfs/dbraw/zinc/34/73/93/322347393.db2.gz UGPMRDILGSWKTB-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000572625720 322347395 /nfs/dbraw/zinc/34/73/95/322347395.db2.gz UGPMRDILGSWKTB-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000572625720 322347396 /nfs/dbraw/zinc/34/73/96/322347396.db2.gz UGPMRDILGSWKTB-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000379291519 328801366 /nfs/dbraw/zinc/80/13/66/328801366.db2.gz VMZOFQDZMHRMCN-BZUAXINKSA-N 1 3 278.465 3.457 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)Cc1ccccc1 ZINC000582736446 329134043 /nfs/dbraw/zinc/13/40/43/329134043.db2.gz YZCWGEFUSVANLY-RCCFBDPRSA-N 1 3 274.452 3.361 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)C1=CCCCC1 ZINC000577626557 335381743 /nfs/dbraw/zinc/38/17/43/335381743.db2.gz JTBCROBWHQDFAC-GJZGRUSLSA-N 1 3 250.430 3.373 20 0 CGADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccsc1 ZINC000578988024 335696082 /nfs/dbraw/zinc/69/60/82/335696082.db2.gz IIFXYMBVGPLRBN-HNNXBMFYSA-N 1 3 260.406 3.448 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CC2CCC1CC2 ZINC000579714616 335871599 /nfs/dbraw/zinc/87/15/99/335871599.db2.gz HUCUXZYKMSFHSN-HOJRLLLISA-N 1 3 287.451 3.326 20 0 CGADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000581073021 336004375 /nfs/dbraw/zinc/00/43/75/336004375.db2.gz CCIDESBNYIGNBV-SFHVURJKSA-N 1 3 274.452 3.459 20 0 CGADHO C[N@H+](CCCN[C@H]1CCC1(C)C)C1CCCCC1 ZINC000385035013 336136241 /nfs/dbraw/zinc/13/62/41/336136241.db2.gz IIZHMWRJNQXZDE-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO C[N@@H+](CCCN[C@H]1CCC1(C)C)C1CCCCC1 ZINC000385035013 336136242 /nfs/dbraw/zinc/13/62/42/336136242.db2.gz IIZHMWRJNQXZDE-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CN(CCC[NH2+][C@H]1CCC1(C)C)C1CCCCC1 ZINC000385035013 336136243 /nfs/dbraw/zinc/13/62/43/336136243.db2.gz IIZHMWRJNQXZDE-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423294630 533772185 /nfs/dbraw/zinc/77/21/85/533772185.db2.gz CLQVXPIPQRVDRY-QWRGUYRKSA-N 1 3 288.407 3.289 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423311859 533771573 /nfs/dbraw/zinc/77/15/73/533771573.db2.gz UMRKWTQQRDLDTP-KBPBESRZSA-N 1 3 287.451 3.409 20 0 CGADHO COc1cc(C[NH2+]CC2=CCN(C)CC2)cc2ccccc21 ZINC000449245422 533873602 /nfs/dbraw/zinc/87/36/02/533873602.db2.gz ASXXDNHOIMDIDX-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO C[C@H](CC[NH+]1CCC(N(C)C)CC1)OCc1ccccc1 ZINC000354893869 533905183 /nfs/dbraw/zinc/90/51/83/533905183.db2.gz NXWMVNHKONZMAD-MRXNPFEDSA-N 1 3 290.451 3.008 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000423360757 533924031 /nfs/dbraw/zinc/92/40/31/533924031.db2.gz QTTMBBWIGRZYDB-ZDUSSCGKSA-N 1 3 252.361 3.141 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)CN1CCCCC1 ZINC000157358182 534077610 /nfs/dbraw/zinc/07/76/10/534077610.db2.gz DZYIUHGUZRQMHH-HOTGVXAUSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H](CN[C@@H](C)Cc1ccccc1F)C[NH+]1CCCCC1 ZINC000157358182 534077617 /nfs/dbraw/zinc/07/76/17/534077617.db2.gz DZYIUHGUZRQMHH-HOTGVXAUSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CC1=CCN(C)CC1 ZINC000449251172 534266522 /nfs/dbraw/zinc/26/65/22/534266522.db2.gz NNLBXFNUAXSPBV-AWEZNQCLSA-N 1 3 284.403 3.215 20 0 CGADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157852825 522580326 /nfs/dbraw/zinc/58/03/26/522580326.db2.gz MGNKKCIKHZXIHO-RDJZCZTQSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157852825 522580331 /nfs/dbraw/zinc/58/03/31/522580331.db2.gz MGNKKCIKHZXIHO-RDJZCZTQSA-N 1 3 292.471 3.115 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000163448454 524178776 /nfs/dbraw/zinc/17/87/76/524178776.db2.gz TYUNRBKWPGKCIE-VYDXJSESSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000163448454 524178782 /nfs/dbraw/zinc/17/87/82/524178782.db2.gz TYUNRBKWPGKCIE-VYDXJSESSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CCN1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000163448454 524178786 /nfs/dbraw/zinc/17/87/86/524178786.db2.gz TYUNRBKWPGKCIE-VYDXJSESSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000368653568 526286077 /nfs/dbraw/zinc/28/60/77/526286077.db2.gz SYZXZCYABGTORC-SJLPKXTDSA-N 1 3 294.483 3.044 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCCc2ccccc2)c2ccccc21 ZINC000157264320 527377683 /nfs/dbraw/zinc/37/76/83/527377683.db2.gz YCZKMDBQQMCTEJ-MSOLQXFVSA-N 1 3 266.388 3.354 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449087409 527743876 /nfs/dbraw/zinc/74/38/76/527743876.db2.gz FRRKFXFCVLYUCP-HNNXBMFYSA-N 1 3 298.430 3.280 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449087409 527743891 /nfs/dbraw/zinc/74/38/91/527743891.db2.gz FRRKFXFCVLYUCP-HNNXBMFYSA-N 1 3 298.430 3.280 20 0 CGADHO CC[N@H+]1CC[C@@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449087409 527743894 /nfs/dbraw/zinc/74/38/94/527743894.db2.gz FRRKFXFCVLYUCP-HNNXBMFYSA-N 1 3 298.430 3.280 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423445740 527782940 /nfs/dbraw/zinc/78/29/40/527782940.db2.gz NEVAJTIYSIHHGY-ZNMIVQPWSA-N 1 3 278.440 3.498 20 0 CGADHO CC(C)CC[C@@H](NCC1=CC[NH2+]CC1)c1ccoc1 ZINC000423335797 527808476 /nfs/dbraw/zinc/80/84/76/527808476.db2.gz GPBSWZCFLXKFOB-MRXNPFEDSA-N 1 3 262.397 3.266 20 0 CGADHO CCCC1CCC(C[NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC000414927906 528068061 /nfs/dbraw/zinc/06/80/61/528068061.db2.gz AKTMVQKOKXFJCM-LBDPXKHJSA-N 1 3 252.446 3.323 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCC2 ZINC000357863676 528140419 /nfs/dbraw/zinc/14/04/19/528140419.db2.gz ZSBDVSBLACVCHD-HOTGVXAUSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C12CCC2 ZINC000357863676 528140424 /nfs/dbraw/zinc/14/04/24/528140424.db2.gz ZSBDVSBLACVCHD-HOTGVXAUSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)NCC[C@H]1CCC[NH2+]1 ZINC000423354617 528438508 /nfs/dbraw/zinc/43/85/08/528438508.db2.gz DCOWXCDNMMJQMR-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[C@@H]([NH2+]CCOCCN(C)C)c1ccc(Cl)cc1 ZINC000447597411 528587627 /nfs/dbraw/zinc/58/76/27/528587627.db2.gz FWUFIOSOEVDCKE-MRXNPFEDSA-N 1 3 298.858 3.205 20 0 CGADHO CCOc1ccc([C@@H](CC)NCC[C@H](C)[NH3+])cc1OCC ZINC000423227024 528597951 /nfs/dbraw/zinc/59/79/51/528597951.db2.gz TZMLZYHAYAPNKM-DZGCQCFKSA-N 1 3 294.439 3.262 20 0 CGADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000423441954 528688708 /nfs/dbraw/zinc/68/87/08/528688708.db2.gz BLOPYADAFCNIFB-HIFRSBDPSA-N 1 3 264.413 3.253 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391098 528691865 /nfs/dbraw/zinc/69/18/65/528691865.db2.gz PGZFZJDXPWPLHY-DLBZAZTESA-N 1 3 258.409 3.204 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423263598 528725222 /nfs/dbraw/zinc/72/52/22/528725222.db2.gz BDMHMVWKZXVEAY-XJKSGUPXSA-N 1 3 264.413 3.109 20 0 CGADHO CCCC[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423534487 528782449 /nfs/dbraw/zinc/78/24/49/528782449.db2.gz WFRUDZJOBGNPNI-IXDOHACOSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423406806 529028343 /nfs/dbraw/zinc/02/83/43/529028343.db2.gz VBVQXCUSAXCPRA-PVAVHDDUSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406806 529028349 /nfs/dbraw/zinc/02/83/49/529028349.db2.gz VBVQXCUSAXCPRA-PVAVHDDUSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425930614 529029007 /nfs/dbraw/zinc/02/90/07/529029007.db2.gz ITXNLJKZNUPKDN-AEFFLSMTSA-N 1 3 292.467 3.015 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1cccc(Br)c1 ZINC000423335958 529157584 /nfs/dbraw/zinc/15/75/84/529157584.db2.gz UKUATNGBPBNPKZ-CYBMUJFWSA-N 1 3 297.240 3.371 20 0 CGADHO CC[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCC1 ZINC000449091338 529184503 /nfs/dbraw/zinc/18/45/03/529184503.db2.gz PXYKVMFOVJEBJK-GOSISDBHSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@](C)(CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449222038 529365164 /nfs/dbraw/zinc/36/51/64/529365164.db2.gz VHONSSGPTUUAFA-GOSISDBHSA-N 1 3 298.515 3.416 20 0 CGADHO CC[C@](C)(CO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449222038 529365165 /nfs/dbraw/zinc/36/51/65/529365165.db2.gz VHONSSGPTUUAFA-GOSISDBHSA-N 1 3 298.515 3.416 20 0 CGADHO CC(C)(C[NH2+][C@@H](C1CC1)C1CCC1)CN1CCCC1 ZINC000453210867 535151613 /nfs/dbraw/zinc/15/16/13/535151613.db2.gz MPBMZSPPOHILDR-MRXNPFEDSA-N 1 3 264.457 3.277 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093693872 535585829 /nfs/dbraw/zinc/58/58/29/535585829.db2.gz DZPDQUJMJGLAMH-HNNXBMFYSA-N 1 3 285.435 3.332 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093693872 535585834 /nfs/dbraw/zinc/58/58/34/535585834.db2.gz DZPDQUJMJGLAMH-HNNXBMFYSA-N 1 3 285.435 3.332 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727469583 571750019 /nfs/dbraw/zinc/75/00/19/571750019.db2.gz ZUGIQYUZXIEVLX-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C[NH2+]CCC1CCN(CCSc2ccc(F)cc2)CC1 ZINC000070190019 572352401 /nfs/dbraw/zinc/35/24/01/572352401.db2.gz YBNOCEOPWFQHJR-UHFFFAOYSA-N 1 3 296.455 3.239 20 0 CGADHO C[C@@H](N[C@@H]1CSc2ccccc21)C1CC[NH+](C)CC1 ZINC000396424312 572484443 /nfs/dbraw/zinc/48/44/43/572484443.db2.gz BULCDWCACURTRT-IUODEOHRSA-N 1 3 276.449 3.153 20 0 CGADHO C[C@@H](N[C@H]1CSc2ccccc21)C1CC[NH+](C)CC1 ZINC000396424311 572484514 /nfs/dbraw/zinc/48/45/14/572484514.db2.gz BULCDWCACURTRT-DOMZBBRYSA-N 1 3 276.449 3.153 20 0 CGADHO Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000306892520 572811513 /nfs/dbraw/zinc/81/15/13/572811513.db2.gz HEQQEWCNAHYJMB-QGZVFWFLSA-N 1 3 267.376 3.076 20 0 CGADHO C[C@H](NCCC[NH3+])c1cccc(SC(F)(F)F)c1 ZINC000903959343 621836595 /nfs/dbraw/zinc/83/65/95/621836595.db2.gz GDYDABBMCOVCOM-VIFPVBQESA-N 1 3 278.343 3.298 20 0 CGADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000926739643 618854977 /nfs/dbraw/zinc/85/49/77/618854977.db2.gz WOKNONLXOYUQMB-KZNAEPCWSA-N 1 3 296.499 3.028 20 0 CGADHO COc1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000892882213 618948617 /nfs/dbraw/zinc/94/86/17/618948617.db2.gz KTDMEEZQPSVNSU-UHFFFAOYSA-N 1 3 280.412 3.034 20 0 CGADHO Cc1ccc(C2(CN[C@H]3C[C@@H]([NH3+])C34CCC4)CC2)c(C)c1 ZINC000925677688 619126768 /nfs/dbraw/zinc/12/67/68/619126768.db2.gz AAAZCPHSLSLWMT-SJORKVTESA-N 1 3 284.447 3.195 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000925720745 619165950 /nfs/dbraw/zinc/16/59/50/619165950.db2.gz IMHHXDDIZHKPCA-MWIANEHASA-N 1 3 276.468 3.181 20 0 CGADHO CC1(C)C[C@@H](N[C@@H]2CCO[C@H]2c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925726039 619183640 /nfs/dbraw/zinc/18/36/40/619183640.db2.gz XNLUERQZXLUKRU-TWMKSMIVSA-N 1 3 288.435 3.012 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925777438 619240399 /nfs/dbraw/zinc/24/03/99/619240399.db2.gz DOXJEKKUQXZRKS-JQWIXIFHSA-N 1 3 288.769 3.235 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c(C)s1 ZINC000925779697 619242354 /nfs/dbraw/zinc/24/23/54/619242354.db2.gz OQKXZAHTMZFKLU-JQWIXIFHSA-N 1 3 288.407 3.260 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCc1cncc2ccccc21)N(C)C ZINC000895290298 619797047 /nfs/dbraw/zinc/79/70/47/619797047.db2.gz GJGFIJQOAJOMII-JKSUJKDBSA-N 1 3 299.462 3.486 20 0 CGADHO C[C@H](CC[NH2+]Cc1ccc(CC(F)(F)F)cc1)N(C)C ZINC000895290409 619797078 /nfs/dbraw/zinc/79/70/78/619797078.db2.gz HIRHHQOOSCQRTC-GFCCVEGCSA-N 1 3 288.357 3.221 20 0 CGADHO C[C@@H](CC[NH2+]C1CC(C)(c2ccccc2)C1)N(C)C ZINC000895293863 619799014 /nfs/dbraw/zinc/79/90/14/619799014.db2.gz SCSRHIBHLQRWBI-OOHWJJMZSA-N 1 3 260.425 3.037 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@]2(C)CCCC[C@H]2O)CC1 ZINC000925212578 620230914 /nfs/dbraw/zinc/23/09/14/620230914.db2.gz JOBONFPMJCMJKM-MSOLQXFVSA-N 1 3 296.499 3.028 20 0 CGADHO CNc1ccccc1CNCc1cccc(C[NH+](C)C)c1 ZINC000902049538 621117306 /nfs/dbraw/zinc/11/73/06/621117306.db2.gz NXWVXRFNCNUMBZ-UHFFFAOYSA-N 1 3 283.419 3.080 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453316 621331946 /nfs/dbraw/zinc/33/19/46/621331946.db2.gz ADVNUFVGNQHNTD-KBPBESRZSA-N 1 3 274.399 3.309 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902456209 621333479 /nfs/dbraw/zinc/33/34/79/621333479.db2.gz OCCLJFYAGMKSFG-YPMHNXCESA-N 1 3 297.393 3.325 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902483287 621352468 /nfs/dbraw/zinc/35/24/68/621352468.db2.gz QMWUIPWPOIQIGF-ZNMIVQPWSA-N 1 3 256.409 3.027 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902720305 621408823 /nfs/dbraw/zinc/40/88/23/621408823.db2.gz FXZTYVDCZPTTFK-QZTJIDSGSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902794474 621450638 /nfs/dbraw/zinc/45/06/38/621450638.db2.gz WMRBEUQWKIQIOD-NXOAAHMSSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825694 621457360 /nfs/dbraw/zinc/45/73/60/621457360.db2.gz NZZVPDCLUBITTB-JKSUJKDBSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825694 621457361 /nfs/dbraw/zinc/45/73/61/621457361.db2.gz NZZVPDCLUBITTB-JKSUJKDBSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H](Cc1cccs1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903061833 621550801 /nfs/dbraw/zinc/55/08/01/621550801.db2.gz KWOBUWVOZGWKBO-WYQXTGKHSA-N 1 3 290.476 3.427 20 0 CGADHO C[C@@H](Cc1cccs1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061833 621550807 /nfs/dbraw/zinc/55/08/07/621550807.db2.gz KWOBUWVOZGWKBO-WYQXTGKHSA-N 1 3 290.476 3.427 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[C@H]1C ZINC000903377295 621721728 /nfs/dbraw/zinc/72/17/28/621721728.db2.gz KEPRBDGUTMYWCR-MXASKKJJSA-N 1 3 275.440 3.099 20 0 CGADHO CC[C@@H]1CCC[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379930 621723090 /nfs/dbraw/zinc/72/30/90/621723090.db2.gz JCFWJZCKGUOIBT-DJIMGWMZSA-N 1 3 275.440 3.243 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1CCCC1(C)C)c1cccnc1 ZINC000903382733 621723303 /nfs/dbraw/zinc/72/33/03/621723303.db2.gz HLORUCKSDNRDGC-CVEARBPZSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424933 621751080 /nfs/dbraw/zinc/75/10/80/621751080.db2.gz MISJQDWPFSSYRA-ARLBYUKCSA-N 1 3 294.389 3.095 20 0 CGADHO CC[C@@H](NC[C@@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000903760233 621802668 /nfs/dbraw/zinc/80/26/68/621802668.db2.gz WITYPQKFCPCNSH-RHSMWYFYSA-N 1 3 276.424 3.126 20 0 CGADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCSc1ccc(Cl)cc1)C2 ZINC000903846986 621820580 /nfs/dbraw/zinc/82/05/80/621820580.db2.gz ROFQRPAYQWSEBF-YUTCNCBUSA-N 1 3 296.867 3.244 20 0 CGADHO [NH3+][C@H](CC(F)F)CN1CCC[C@@H]1CC1CCCC1 ZINC000903931645 621834661 /nfs/dbraw/zinc/83/46/61/621834661.db2.gz HGICCDZTLPXEEM-CHWSQXEVSA-N 1 3 260.372 3.014 20 0 CGADHO C[C@@H](CN(C)C[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904315401 621904147 /nfs/dbraw/zinc/90/41/47/621904147.db2.gz BOZUFDVOZVIZSC-DOTOQJQBSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H](OCCNC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904376083 621916817 /nfs/dbraw/zinc/91/68/17/621916817.db2.gz LXILQHFJFYUTOB-QZTJIDSGSA-N 1 3 290.451 3.134 20 0 CGADHO NC1CC([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000906511106 622241307 /nfs/dbraw/zinc/24/13/07/622241307.db2.gz SRKZQJHAIDFNET-UHFFFAOYSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCSc2ccc(F)cc21 ZINC000227137544 623009466 /nfs/dbraw/zinc/00/94/66/623009466.db2.gz RIHLYDMORNMRDF-TUKIKUTGSA-N 1 3 294.439 3.470 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000232421284 623386498 /nfs/dbraw/zinc/38/64/98/623386498.db2.gz BPZCWOHBMCVYIC-ZDUSSCGKSA-N 1 3 282.403 3.131 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000921496374 624597118 /nfs/dbraw/zinc/59/71/18/624597118.db2.gz SWGVPNUGDRBHMI-ZJPYXAASSA-N 1 3 294.483 3.046 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000922269335 625992333 /nfs/dbraw/zinc/99/23/33/625992333.db2.gz MPMKFHYQWGWOHF-YESZJQIVSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1C[C@@H](c2ccccc2)CN1CCC[NH2+]C1CC1 ZINC000923316199 626145134 /nfs/dbraw/zinc/14/51/34/626145134.db2.gz NJAKNSAPIQPOJB-GDBMZVCRSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCNC1CC1 ZINC000923316199 626145136 /nfs/dbraw/zinc/14/51/36/626145136.db2.gz NJAKNSAPIQPOJB-GDBMZVCRSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCNC1CC1 ZINC000923316199 626145137 /nfs/dbraw/zinc/14/51/37/626145137.db2.gz NJAKNSAPIQPOJB-GDBMZVCRSA-N 1 3 258.409 3.007 20 0 CGADHO [NH3+]C[C@H]1CN(CC2CCC3(CC3)CC2)C[C@H]1C(F)(F)F ZINC000923425207 626152512 /nfs/dbraw/zinc/15/25/12/626152512.db2.gz JRUTTYPCBVHIGF-QWHCGFSZSA-N 1 3 290.373 3.026 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780291313 628478632 /nfs/dbraw/zinc/47/86/32/628478632.db2.gz ANKSMEVAMPWAOF-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780291313 628478633 /nfs/dbraw/zinc/47/86/33/628478633.db2.gz ANKSMEVAMPWAOF-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780291313 628478635 /nfs/dbraw/zinc/47/86/35/628478635.db2.gz ANKSMEVAMPWAOF-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790047650 629179721 /nfs/dbraw/zinc/17/97/21/629179721.db2.gz ANXNEISTSJZVQI-FUHWJXTLSA-N 1 3 286.463 3.426 20 0 CGADHO C[C@H](NCCCCCCC[NH+]1CCCC1)c1ncc[nH]1 ZINC000796748637 629825607 /nfs/dbraw/zinc/82/56/07/629825607.db2.gz WTWPKKBUMLMPTE-HNNXBMFYSA-N 1 3 278.444 3.107 20 0 CGADHO Cc1cc(Br)cc(C[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000813786893 631461280 /nfs/dbraw/zinc/46/12/80/631461280.db2.gz ULMGSIGGYKBKEB-GFCCVEGCSA-N 1 3 299.256 3.045 20 0 CGADHO C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)CN(C)C ZINC000813877506 631475831 /nfs/dbraw/zinc/47/58/31/631475831.db2.gz YAIOMBWGPZPKCV-HYVNUMGLSA-N 1 3 274.452 3.356 20 0 CGADHO Cc1cc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cs1 ZINC000817949224 632245298 /nfs/dbraw/zinc/24/52/98/632245298.db2.gz PPBWMGUGMSNATK-CYBMUJFWSA-N 1 3 274.433 3.409 20 0 CGADHO CN(Cc1ncc(-c2cccs2)o1)C1CCC([NH3+])CC1 ZINC000844220860 635833432 /nfs/dbraw/zinc/83/34/32/635833432.db2.gz MYNUFGOQJTZZNB-UHFFFAOYSA-N 1 3 291.420 3.105 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)O1 ZINC000823748191 633148693 /nfs/dbraw/zinc/14/86/93/633148693.db2.gz UFSJMHYRIDKYNT-IIDMSEBBSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@@H](C)O1 ZINC000823748191 633148700 /nfs/dbraw/zinc/14/87/00/633148700.db2.gz UFSJMHYRIDKYNT-IIDMSEBBSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583654 633202957 /nfs/dbraw/zinc/20/29/57/633202957.db2.gz DECZILSMMXVGSR-KYJSFNMBSA-N 1 3 290.426 3.173 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583654 633202963 /nfs/dbraw/zinc/20/29/63/633202963.db2.gz DECZILSMMXVGSR-KYJSFNMBSA-N 1 3 290.426 3.173 20 0 CGADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705353 633234329 /nfs/dbraw/zinc/23/43/29/633234329.db2.gz YLKHUIPRBUGUMQ-YOEHRIQHSA-N 1 3 260.425 3.445 20 0 CGADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705353 633234332 /nfs/dbraw/zinc/23/43/32/633234332.db2.gz YLKHUIPRBUGUMQ-YOEHRIQHSA-N 1 3 260.425 3.445 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000873069334 634240708 /nfs/dbraw/zinc/24/07/08/634240708.db2.gz CVMRZKGOPSMUEI-HOTGVXAUSA-N 1 3 283.419 3.197 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cncc3ccccc32)C1 ZINC000873223592 634291815 /nfs/dbraw/zinc/29/18/15/634291815.db2.gz OPXZRCYNFUEKEU-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cnc(C(C)(C)C)s1 ZINC000873231368 634292939 /nfs/dbraw/zinc/29/29/39/634292939.db2.gz HGZPRLNHBRTESY-UHFFFAOYSA-N 1 3 283.485 3.392 20 0 CGADHO c1cnc2cccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000873285208 634317769 /nfs/dbraw/zinc/31/77/69/634317769.db2.gz ZRTHOXNOLYUGRV-NZSAHSFTSA-N 1 3 295.430 3.245 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C2CC(Nc3ccccc3)C2)c2ccccc21 ZINC000873295305 634323977 /nfs/dbraw/zinc/32/39/77/634323977.db2.gz FEWPVNKUGKBWSV-NRERDWFFSA-N 1 3 293.414 3.364 20 0 CGADHO CSC(C)(C)CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000877673657 635141463 /nfs/dbraw/zinc/14/14/63/635141463.db2.gz JTYPLCQSHVLVHM-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC2CC3(CCC3)C2)C1 ZINC000878147990 635378269 /nfs/dbraw/zinc/37/82/69/635378269.db2.gz LEUXIPYLGOGCMB-OAHLLOKOSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878147990 635378275 /nfs/dbraw/zinc/37/82/75/635378275.db2.gz LEUXIPYLGOGCMB-OAHLLOKOSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878147990 635378282 /nfs/dbraw/zinc/37/82/82/635378282.db2.gz LEUXIPYLGOGCMB-OAHLLOKOSA-N 1 3 264.457 3.230 20 0 CGADHO C=C/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411778 635495472 /nfs/dbraw/zinc/49/54/72/635495472.db2.gz NUDQYKBFSGXUGP-FZZYSBJUSA-N 1 3 262.441 3.361 20 0 CGADHO CC1([NH+]2CCC2)CCN(C[C@@H]2CCc3ccccc32)CC1 ZINC000880473575 636007061 /nfs/dbraw/zinc/00/70/61/636007061.db2.gz IZGBASBBVVMLCV-KRWDZBQOSA-N 1 3 284.447 3.277 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883185617 636571261 /nfs/dbraw/zinc/57/12/61/636571261.db2.gz AVLLVEXJSPTVEO-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2(CC3CC3)CC2)CC1 ZINC000883252886 636624614 /nfs/dbraw/zinc/62/46/14/636624614.db2.gz CDFZXCIAKFZNGK-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)[C@H]1CCN ZINC000883434851 636755701 /nfs/dbraw/zinc/75/57/01/636755701.db2.gz CKNUIOBHYSDEQI-MCIONIFRSA-N 1 3 274.399 3.261 20 0 CGADHO C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)[C@H]1CCN ZINC000883434851 636755706 /nfs/dbraw/zinc/75/57/06/636755706.db2.gz CKNUIOBHYSDEQI-MCIONIFRSA-N 1 3 274.399 3.261 20 0 CGADHO C[C@H](Cc1cccs1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131991049 636770530 /nfs/dbraw/zinc/77/05/30/636770530.db2.gz QUZWVQFHCJBIDQ-RLCCDNCMSA-N 1 3 272.417 3.414 20 0 CGADHO C1=C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000850509673 637096510 /nfs/dbraw/zinc/09/65/10/637096510.db2.gz PKXAOBBTWBUZIP-AKHDSKFASA-N 1 3 282.431 3.490 20 0 CGADHO C1=C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509673 637096514 /nfs/dbraw/zinc/09/65/14/637096514.db2.gz PKXAOBBTWBUZIP-AKHDSKFASA-N 1 3 282.431 3.490 20 0 CGADHO c1ccc2c(c1)cncc2C[NH2+]CCCN1CCCCC1 ZINC000135372115 637123808 /nfs/dbraw/zinc/12/38/08/637123808.db2.gz NZZXQWYAJVEIRX-UHFFFAOYSA-N 1 3 283.419 3.200 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000886040724 637381309 /nfs/dbraw/zinc/38/13/09/637381309.db2.gz BTAYPKHDXPNBPU-KZNAEPCWSA-N 1 3 296.499 3.292 20 0 CGADHO Cc1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000886646193 637626644 /nfs/dbraw/zinc/62/66/44/637626644.db2.gz BRDUMMITJFZTJX-UHFFFAOYSA-N 1 3 276.424 3.475 20 0 CGADHO ClC(Cl)=CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000852749015 637706369 /nfs/dbraw/zinc/70/63/69/637706369.db2.gz GHZMNWIMCRTJBJ-VXGBXAGGSA-N 1 3 277.239 3.017 20 0 CGADHO COc1cc(C)c([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1C ZINC000854230308 638029059 /nfs/dbraw/zinc/02/90/59/638029059.db2.gz MLUGBFWVRFONDU-GDBMZVCRSA-N 1 3 278.440 3.336 20 0 CGADHO Cc1ccc(CCNC2CC[NH+](CCC(C)C)CC2)o1 ZINC000924653667 638384330 /nfs/dbraw/zinc/38/43/30/638384330.db2.gz BPVCSVDYMXMFRG-UHFFFAOYSA-N 1 3 278.440 3.231 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(CCC(C)C)CC2)o1 ZINC000924653667 638384334 /nfs/dbraw/zinc/38/43/34/638384334.db2.gz BPVCSVDYMXMFRG-UHFFFAOYSA-N 1 3 278.440 3.231 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924688148 638388472 /nfs/dbraw/zinc/38/84/72/638388472.db2.gz QYZYZVJRSXIUEK-ZIAGYGMSSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccns1 ZINC000924688148 638388484 /nfs/dbraw/zinc/38/84/84/638388484.db2.gz QYZYZVJRSXIUEK-ZIAGYGMSSA-N 1 3 281.469 3.448 20 0 CGADHO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000924954150 638429213 /nfs/dbraw/zinc/42/92/13/638429213.db2.gz FSNANLVVPNRYPH-ZDUSSCGKSA-N 1 3 294.414 3.304 20 0 CGADHO CSC1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000925206726 638476788 /nfs/dbraw/zinc/47/67/88/638476788.db2.gz NHKGKGXDXLOXPB-UHFFFAOYSA-N 1 3 282.497 3.267 20 0 CGADHO CSC1CC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000925206726 638476810 /nfs/dbraw/zinc/47/68/10/638476810.db2.gz NHKGKGXDXLOXPB-UHFFFAOYSA-N 1 3 282.497 3.267 20 0 CGADHO COc1cccc([C@H](C)N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484820 638509833 /nfs/dbraw/zinc/50/98/33/638509833.db2.gz JPQMWIMWFHSMRV-CFVMTHIKSA-N 1 3 276.424 3.252 20 0 CGADHO CCC(C)(C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925650660 638556859 /nfs/dbraw/zinc/55/68/59/638556859.db2.gz QLDPQAQWSQSAII-HUUCEWRRSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925653909 638558137 /nfs/dbraw/zinc/55/81/37/638558137.db2.gz CARIBLFMEMZQFX-POEZBYADSA-N 1 3 288.410 3.190 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925678816 638567745 /nfs/dbraw/zinc/56/77/45/638567745.db2.gz XHGZAMUEMATOBD-SBLOQVJPSA-N 1 3 288.410 3.190 20 0 CGADHO CC1(C)[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925709967 638574928 /nfs/dbraw/zinc/57/49/28/638574928.db2.gz XAJOPFHYHIBKAY-NHGZVPIDSA-N 1 3 298.421 3.321 20 0 CGADHO CCSc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000925732533 638585968 /nfs/dbraw/zinc/58/59/68/638585968.db2.gz PJFUDEZIEQVKEG-NWDGAFQWSA-N 1 3 252.427 3.014 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1cc2c(s1)CCC2 ZINC000925739729 638591426 /nfs/dbraw/zinc/59/14/26/638591426.db2.gz DRQOIPOSIMKFNV-JTQLQIEISA-N 1 3 252.427 3.015 20 0 CGADHO Fc1ccc([C@H]([NH2+]C[C@H]2CNCCC2(F)F)C2CC2)cc1 ZINC000925786646 638614435 /nfs/dbraw/zinc/61/44/35/638614435.db2.gz XNRMYUYHWYKYCE-UKRRQHHQSA-N 1 3 298.352 3.111 20 0 CGADHO CCSc1ccccc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000925835156 638626939 /nfs/dbraw/zinc/62/69/39/638626939.db2.gz MZUPSWWHJOUELI-CABCVRRESA-N 1 3 278.465 3.058 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN[C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000925883370 638642718 /nfs/dbraw/zinc/64/27/18/638642718.db2.gz VTBVJMSBMQPYDR-FDQGKXFDSA-N 1 3 299.393 3.027 20 0 CGADHO CCSCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926361807 638766151 /nfs/dbraw/zinc/76/61/51/638766151.db2.gz OPYMYCFTVKDOEI-UHFFFAOYSA-N 1 3 272.502 3.230 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637817 638936410 /nfs/dbraw/zinc/93/64/10/638936410.db2.gz QBZCUZQXJHRVRU-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637817 638936412 /nfs/dbraw/zinc/93/64/12/638936412.db2.gz QBZCUZQXJHRVRU-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO FC1(F)[C@@H]2C[C@@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000929689139 638941311 /nfs/dbraw/zinc/94/13/11/638941311.db2.gz VWNFEOYDUHCHJC-YHUYYLMFSA-N 1 3 298.421 3.228 20 0 CGADHO CC[C@@H](CC(F)F)C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931356155 639139443 /nfs/dbraw/zinc/13/94/43/639139443.db2.gz ZFURXHBBSWLMKS-LBPRGKRZSA-N 1 3 262.388 3.084 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094365742 640794923 /nfs/dbraw/zinc/79/49/23/640794923.db2.gz NYDAPEKHKVSDKX-IAGOWNOFSA-N 1 3 294.483 3.332 20 0 CGADHO CCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001257310266 807100218 /nfs/dbraw/zinc/10/02/18/807100218.db2.gz ALWOETHSOQKJOP-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1nc2ccc(Nc3ccc4c(c3)CC[NH2+]CC4)cc2[nH]1 ZINC001159682382 806149564 /nfs/dbraw/zinc/14/95/64/806149564.db2.gz VUIGOKGNDZTOGD-UHFFFAOYSA-N 1 3 292.386 3.303 20 0 CGADHO CCCCC[NH+](CCCCC)C[C@H](O)CNC(C)(C)C ZINC001253394716 806214177 /nfs/dbraw/zinc/21/41/77/806214177.db2.gz RUHLOWOSLPXTFT-MRXNPFEDSA-N 1 3 286.504 3.418 20 0 CGADHO CCCCCN(CCCCC)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394716 806214181 /nfs/dbraw/zinc/21/41/81/806214181.db2.gz RUHLOWOSLPXTFT-MRXNPFEDSA-N 1 3 286.504 3.418 20 0 CGADHO CN1CCC[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505256 806425916 /nfs/dbraw/zinc/42/59/16/806425916.db2.gz DPEYGPWYZKICPY-LRDDRELGSA-N 1 3 280.362 3.026 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CCC[N@H+](C)CC2)ccc1F ZINC001254507133 806428372 /nfs/dbraw/zinc/42/83/72/806428372.db2.gz HJGMMYCYTDCPKV-HIFRSBDPSA-N 1 3 264.388 3.269 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CCC[N@@H+](C)CC2)ccc1F ZINC001254507133 806428378 /nfs/dbraw/zinc/42/83/78/806428378.db2.gz HJGMMYCYTDCPKV-HIFRSBDPSA-N 1 3 264.388 3.269 20 0 CGADHO C[N@@H+]1CCC[C@@H](NC2(c3ccccc3)CCC2)CC1 ZINC001254507821 806428649 /nfs/dbraw/zinc/42/86/49/806428649.db2.gz NFMWUGSWCGFRJE-MRXNPFEDSA-N 1 3 258.409 3.140 20 0 CGADHO C[N@H+]1CCC[C@@H](NC2(c3ccccc3)CCC2)CC1 ZINC001254507821 806428655 /nfs/dbraw/zinc/42/86/55/806428655.db2.gz NFMWUGSWCGFRJE-MRXNPFEDSA-N 1 3 258.409 3.140 20 0 CGADHO COc1ccccc1C1([NH2+][C@@H]2CCCN(C)CC2)CCC1 ZINC001254510697 806430518 /nfs/dbraw/zinc/43/05/18/806430518.db2.gz PJZYLDLSBSXCKE-OAHLLOKOSA-N 1 3 288.435 3.148 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517323 806436479 /nfs/dbraw/zinc/43/64/79/806436479.db2.gz ULIRWUOZQAJVTD-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001254517323 806436482 /nfs/dbraw/zinc/43/64/82/806436482.db2.gz ULIRWUOZQAJVTD-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001254528040 806443513 /nfs/dbraw/zinc/44/35/13/806443513.db2.gz BUKJSTHWEFJAAQ-LSDHHAIUSA-N 1 3 268.420 3.075 20 0 CGADHO CCCC[NH+](CCCC)CCCN[C@@H]1CCSC1 ZINC001255269531 806588664 /nfs/dbraw/zinc/58/86/64/806588664.db2.gz LQPKDNWMHBIXJN-OAHLLOKOSA-N 1 3 272.502 3.374 20 0 CGADHO CCCC[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001255317080 806608744 /nfs/dbraw/zinc/60/87/44/806608744.db2.gz JUIUNJXSJNHEEW-MRXNPFEDSA-N 1 3 289.467 3.462 20 0 CGADHO FC1(F)CC(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255381060 806630749 /nfs/dbraw/zinc/63/07/49/806630749.db2.gz OXXPRJPZUXRLJS-HNNXBMFYSA-N 1 3 294.389 3.428 20 0 CGADHO FC1(F)CC(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381060 806630752 /nfs/dbraw/zinc/63/07/52/806630752.db2.gz OXXPRJPZUXRLJS-HNNXBMFYSA-N 1 3 294.389 3.428 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccccc2C)CC1 ZINC000037149941 798860311 /nfs/dbraw/zinc/86/03/11/798860311.db2.gz SVEBATFAIJCRLK-UHFFFAOYSA-N 1 3 260.425 3.349 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)CCO2 ZINC000037229356 798862720 /nfs/dbraw/zinc/86/27/20/798862720.db2.gz UFQYBQLNTAUOLP-HNNXBMFYSA-N 1 3 288.435 3.148 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C[C@H](C)N1 ZINC000381112914 799372119 /nfs/dbraw/zinc/37/21/19/799372119.db2.gz VAYBCRLSJILUGI-QDMKHBRRSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CCCCC3)C[C@H](C)N1 ZINC000381112914 799372126 /nfs/dbraw/zinc/37/21/26/799372126.db2.gz VAYBCRLSJILUGI-QDMKHBRRSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC001255780044 806747803 /nfs/dbraw/zinc/74/78/03/806747803.db2.gz GRYVUYCIQNUESR-SZMVWBNQSA-N 1 3 274.452 3.388 20 0 CGADHO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000385438239 799426466 /nfs/dbraw/zinc/42/64/66/799426466.db2.gz PICPGVSBHFDOGW-DOTOQJQBSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000385438239 799426468 /nfs/dbraw/zinc/42/64/68/799426468.db2.gz PICPGVSBHFDOGW-DOTOQJQBSA-N 1 3 272.436 3.287 20 0 CGADHO CC(C)(C)SCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000397293733 799515349 /nfs/dbraw/zinc/51/53/49/799515349.db2.gz YLOYAXIMQOQIEN-KGLIPLIRSA-N 1 3 264.438 3.253 20 0 CGADHO CCC[C@H](C)[N@H+](C)Cc1cc2c(s1)CCNC2 ZINC000687953913 799741667 /nfs/dbraw/zinc/74/16/67/799741667.db2.gz NQVKBOCOZBUEBO-NSHDSACASA-N 1 3 252.427 3.014 20 0 CGADHO CCC[C@H](C)[N@@H+](C)Cc1cc2c(s1)CCNC2 ZINC000687953913 799741671 /nfs/dbraw/zinc/74/16/71/799741671.db2.gz NQVKBOCOZBUEBO-NSHDSACASA-N 1 3 252.427 3.014 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000695701187 799832037 /nfs/dbraw/zinc/83/20/37/799832037.db2.gz SBJKYLGZXSSXJH-GJZGRUSLSA-N 1 3 250.430 3.064 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@H](C)N(C)C ZINC000697825037 799849440 /nfs/dbraw/zinc/84/94/40/799849440.db2.gz DUNYDRATQQYITI-QWRGUYRKSA-N 1 3 254.340 3.037 20 0 CGADHO C[C@@H](CC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC000697885823 799850028 /nfs/dbraw/zinc/85/00/28/799850028.db2.gz BBTUGDXKBCDFJE-NSHDSACASA-N 1 3 256.340 3.054 20 0 CGADHO C[N@H+](C1CCOCC1)C1CCN(C2CCCCCC2)CC1 ZINC001255892846 806785875 /nfs/dbraw/zinc/78/58/75/806785875.db2.gz VMMFFSBVSMZQQW-UHFFFAOYSA-N 1 3 294.483 3.284 20 0 CGADHO C[N@@H+](C1CCOCC1)C1CCN(C2CCCCCC2)CC1 ZINC001255892846 806785878 /nfs/dbraw/zinc/78/58/78/806785878.db2.gz VMMFFSBVSMZQQW-UHFFFAOYSA-N 1 3 294.483 3.284 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1ccccc1 ZINC001255940468 806789841 /nfs/dbraw/zinc/78/98/41/806789841.db2.gz ZBULUHHBBNZQQR-INIZCTEOSA-N 1 3 262.441 3.329 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@H]1c1ccccc1 ZINC001255946185 806792948 /nfs/dbraw/zinc/79/29/48/806792948.db2.gz RUQBSFRTRLQFEX-XIRDDKMYSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708849733 799997069 /nfs/dbraw/zinc/99/70/69/799997069.db2.gz LUYXEEMPUDIGMW-VNQPRFMTSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708849733 799997076 /nfs/dbraw/zinc/99/70/76/799997076.db2.gz LUYXEEMPUDIGMW-VNQPRFMTSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709450341 800009183 /nfs/dbraw/zinc/00/91/83/800009183.db2.gz WAIWQTQOSODWBS-SQPSOYEMSA-N 1 3 278.827 3.144 20 0 CGADHO CCC1CCC([N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000709788442 800018410 /nfs/dbraw/zinc/01/84/10/800018410.db2.gz CTXQXILDLZUGKQ-GPANFISMSA-N 1 3 250.430 3.031 20 0 CGADHO CCC1CCC([N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000709788442 800018416 /nfs/dbraw/zinc/01/84/16/800018416.db2.gz CTXQXILDLZUGKQ-GPANFISMSA-N 1 3 250.430 3.031 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCCC12CCC2 ZINC001255955967 806797921 /nfs/dbraw/zinc/79/79/21/806797921.db2.gz YGHTUUXTDFLCBZ-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1C[C@H](N2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H](C)C1 ZINC000721501285 800290571 /nfs/dbraw/zinc/29/05/71/800290571.db2.gz GQLDOCLWUUBRHZ-JFTQMJAMSA-N 1 3 272.436 3.197 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(O)cc1 ZINC001256564904 806916341 /nfs/dbraw/zinc/91/63/41/806916341.db2.gz XCWGICHELCRRLI-CQSZACIVSA-N 1 3 290.451 3.348 20 0 CGADHO COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001256618808 806927261 /nfs/dbraw/zinc/92/72/61/806927261.db2.gz OCJXXHGNHQOSCB-ALOPSCKCSA-N 1 3 288.435 3.027 20 0 CGADHO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678465 806947009 /nfs/dbraw/zinc/94/70/09/806947009.db2.gz WRTRNLATHVHIJT-KNXWPPODSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)OC(=O)CC[C@H](C)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001172757231 808431439 /nfs/dbraw/zinc/43/14/39/808431439.db2.gz VGMMDFYOXOIPOK-ZDUSSCGKSA-N 1 3 298.471 3.087 20 0 CGADHO CC(C)OC(=O)CC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172757231 808431443 /nfs/dbraw/zinc/43/14/43/808431443.db2.gz VGMMDFYOXOIPOK-ZDUSSCGKSA-N 1 3 298.471 3.087 20 0 CGADHO [NH3+][C@H]1CCCC[C@@H]1OCc1ccccc1C1=CNCCC1 ZINC001243953446 803097650 /nfs/dbraw/zinc/09/76/50/803097650.db2.gz ISXCWVHKFCCZEB-ROUUACIJSA-N 1 3 286.419 3.197 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418380 803924716 /nfs/dbraw/zinc/92/47/16/803924716.db2.gz RCYILHYVLZMZSC-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc2cc(C)ccc2[nH]1 ZINC001138418380 803924725 /nfs/dbraw/zinc/92/47/25/803924725.db2.gz RCYILHYVLZMZSC-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO CCCc1ccc(CN2CC3(C2)CC[NH+](C)CC3)s1 ZINC001138527449 803958487 /nfs/dbraw/zinc/95/84/87/803958487.db2.gz HWZPGSMPYZHJOY-UHFFFAOYSA-N 1 3 278.465 3.228 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccccc2C)CC[NH2+]1 ZINC001246075084 804114014 /nfs/dbraw/zinc/11/40/14/804114014.db2.gz HJLIZZSPBINJIP-MSOLQXFVSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CCc2ccccc2C)CCN1 ZINC001246075084 804114019 /nfs/dbraw/zinc/11/40/19/804114019.db2.gz HJLIZZSPBINJIP-MSOLQXFVSA-N 1 3 274.452 3.438 20 0 CGADHO C[C@H]1CC[C@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246083104 804118680 /nfs/dbraw/zinc/11/86/80/804118680.db2.gz ZKZLHXAJMAXVQF-RANZSIQMSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)=CCC[C@@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246115268 804146577 /nfs/dbraw/zinc/14/65/77/804146577.db2.gz RIUKJGPMCOEARF-CABCVRRESA-N 1 3 256.409 3.193 20 0 CGADHO C[C@]1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CCNC1 ZINC001246097015 804130507 /nfs/dbraw/zinc/13/05/07/804130507.db2.gz MKFRDDQUDMBUDV-CABCVRRESA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)C1CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246101715 804135755 /nfs/dbraw/zinc/13/57/55/804135755.db2.gz ASIQAESRRNIMRU-SLTXQBBLSA-N 1 3 252.446 3.179 20 0 CGADHO Cn1ccc2c1cccc2C[N@H+](C)CCCN1CCCC1 ZINC001139161321 804146956 /nfs/dbraw/zinc/14/69/56/804146956.db2.gz XXOZJGCOURXXJR-UHFFFAOYSA-N 1 3 285.435 3.096 20 0 CGADHO Cn1ccc2c1cccc2C[N@@H+](C)CCCN1CCCC1 ZINC001139161321 804146958 /nfs/dbraw/zinc/14/69/58/804146958.db2.gz XXOZJGCOURXXJR-UHFFFAOYSA-N 1 3 285.435 3.096 20 0 CGADHO C[C@H]1CNC[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246117601 804150290 /nfs/dbraw/zinc/15/02/90/804150290.db2.gz RGHMBFDMLPNFSH-YXXBGZSLSA-N 1 3 284.447 3.011 20 0 CGADHO C1CC12CNC[C@H]2[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246135358 804160302 /nfs/dbraw/zinc/16/03/02/804160302.db2.gz UJKQMTZHHQRWQU-LSDHHAIUSA-N 1 3 262.441 3.221 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@H](C(C)C)C2)cc1C ZINC001246162961 804179227 /nfs/dbraw/zinc/17/92/27/804179227.db2.gz STYKAEROKBPXNV-MSOLQXFVSA-N 1 3 274.452 3.212 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(C)s2)CC[NH2+]1 ZINC001246166547 804180371 /nfs/dbraw/zinc/18/03/71/804180371.db2.gz BDVTXMJZWNPNKC-CABCVRRESA-N 1 3 280.481 3.499 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246176482 804191086 /nfs/dbraw/zinc/19/10/86/804191086.db2.gz DTAZUWPIWFXJJX-MUJYYYPQSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@]1(N[C@@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246188157 804198170 /nfs/dbraw/zinc/19/81/70/804198170.db2.gz HSLJDFOPQKEYJO-KZNAEPCWSA-N 1 3 272.436 3.445 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246211117 804208139 /nfs/dbraw/zinc/20/81/39/804208139.db2.gz LVXWEZCHVYNMFU-TVFCKZIOSA-N 1 3 272.436 3.443 20 0 CGADHO CCCC[C@@H](CC)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246227382 804220374 /nfs/dbraw/zinc/22/03/74/804220374.db2.gz COMLLKBGJDFWGS-CABCVRRESA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232319 804225393 /nfs/dbraw/zinc/22/53/93/804225393.db2.gz WZNAPUPEFMCTOB-QEOTZNIISA-N 1 3 264.457 3.466 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246236162 804228818 /nfs/dbraw/zinc/22/88/18/804228818.db2.gz KKUCLDADLDTNFN-WBVHZDCISA-N 1 3 290.451 3.212 20 0 CGADHO CC(C)(C)[C@H]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246238139 804229816 /nfs/dbraw/zinc/22/98/16/804229816.db2.gz FFCZUNYISFPWKK-RBSFLKMASA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241081 804233354 /nfs/dbraw/zinc/23/33/54/804233354.db2.gz WPWVOYXXPHFTGE-JKSUJKDBSA-N 1 3 292.854 3.492 20 0 CGADHO CC[C@@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241080 804233997 /nfs/dbraw/zinc/23/39/97/804233997.db2.gz WPWVOYXXPHFTGE-HZPDHXFCSA-N 1 3 292.854 3.492 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CC(C)(C)CN ZINC001246249635 804237548 /nfs/dbraw/zinc/23/75/48/804237548.db2.gz LTIPXHWGTBVCNJ-LLVKDONJSA-N 1 3 286.872 3.395 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NCC(C)(C)C[NH3+] ZINC001246249635 804237555 /nfs/dbraw/zinc/23/75/55/804237555.db2.gz LTIPXHWGTBVCNJ-LLVKDONJSA-N 1 3 286.872 3.395 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCN1 ZINC001246254291 804239252 /nfs/dbraw/zinc/23/92/52/804239252.db2.gz GNUQZFXTXUICDN-AALSBFMBSA-N 1 3 250.430 3.075 20 0 CGADHO FC(F)(F)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246262593 804243799 /nfs/dbraw/zinc/24/37/99/804243799.db2.gz INHZHBHYCWJXFK-YIONKMFJSA-N 1 3 298.352 3.121 20 0 CGADHO C([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)C1CCCCCC1 ZINC001246271070 804250103 /nfs/dbraw/zinc/25/01/03/804250103.db2.gz HMYRRFKGLHVFMH-ZSHCYNCHSA-N 1 3 250.430 3.220 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246277332 804252768 /nfs/dbraw/zinc/25/27/68/804252768.db2.gz HZXJREYADSLBKD-KCPJHIHWSA-N 1 3 299.245 3.320 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246277333 804253171 /nfs/dbraw/zinc/25/31/71/804253171.db2.gz HZXJREYADSLBKD-NILFDRSVSA-N 1 3 299.245 3.320 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246281069 804256744 /nfs/dbraw/zinc/25/67/44/804256744.db2.gz YZZCEOPSCFHWPR-IKWCTNDRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](CCN)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246301382 804268820 /nfs/dbraw/zinc/26/88/20/804268820.db2.gz SMRVBTLUVDPKMF-UWVGGRQHSA-N 1 3 290.785 3.266 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H](C)Cc1ccc(Cl)cc1 ZINC001246306984 804269399 /nfs/dbraw/zinc/26/93/99/804269399.db2.gz CKIXCYPXLMKAKW-DOMZBBRYSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@H](C[NH3+])N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320616 804279403 /nfs/dbraw/zinc/27/94/03/804279403.db2.gz ZLTBUDUTMZQUOE-BXKDBHETSA-N 1 3 275.223 3.251 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC001246326565 804282940 /nfs/dbraw/zinc/28/29/40/804282940.db2.gz QHNKPEKKVDFOKX-PVAVHDDUSA-N 1 3 260.425 3.128 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246331852 804286200 /nfs/dbraw/zinc/28/62/00/804286200.db2.gz KAMSBWUWYHPMOE-LEOABGAYSA-N 1 3 252.446 3.464 20 0 CGADHO CC[C@@H]1CC(N[C@H]2CC23CCCC3)C[C@@H](CC)[NH2+]1 ZINC001246333629 804288047 /nfs/dbraw/zinc/28/80/47/804288047.db2.gz KVVWRCVAVWFFQD-NFAWXSAZSA-N 1 3 250.430 3.218 20 0 CGADHO CCC(CC)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246337368 804290870 /nfs/dbraw/zinc/29/08/70/804290870.db2.gz SBCGWXPVKIKKPS-UHFFFAOYSA-N 1 3 264.388 3.183 20 0 CGADHO CC[C@@H](C)C1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246338091 804293029 /nfs/dbraw/zinc/29/30/29/804293029.db2.gz HPGVYNCAXUVELD-KBJXHQRYSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246344268 804296234 /nfs/dbraw/zinc/29/62/34/804296234.db2.gz QJJDLADJMSRYMH-QZTJIDSGSA-N 1 3 274.452 3.473 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246344268 804296238 /nfs/dbraw/zinc/29/62/38/804296238.db2.gz QJJDLADJMSRYMH-QZTJIDSGSA-N 1 3 274.452 3.473 20 0 CGADHO [NH3+]CC1(N[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001246354567 804301177 /nfs/dbraw/zinc/30/11/77/804301177.db2.gz GTGMOKZWTWRNAX-GFCCVEGCSA-N 1 3 299.245 3.322 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CCc2ccccc2N1 ZINC001246355652 804302684 /nfs/dbraw/zinc/30/26/84/804302684.db2.gz YYUKGXAGCUCNOF-DOTOQJQBSA-N 1 3 289.467 3.123 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C(C)(C)CCN ZINC001246361574 804305035 /nfs/dbraw/zinc/30/50/35/804305035.db2.gz IOBGACIYGCDPNX-SNVBAGLBSA-N 1 3 272.795 3.127 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC2(CC3CCC3)CC2)CCN1 ZINC001246378325 804310996 /nfs/dbraw/zinc/31/09/96/804310996.db2.gz WEUUOBSUSHBQON-GJZGRUSLSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)C[C@H]([NH2+]CC2(CC3CCC3)CC2)CCN1 ZINC001246376131 804311269 /nfs/dbraw/zinc/31/12/69/804311269.db2.gz LZZLQFSIBSOFEB-CQSZACIVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC2CCC2)C[C@H](C)N1 ZINC001246386092 804316344 /nfs/dbraw/zinc/31/63/44/804316344.db2.gz DNCAXHMAHCZVRQ-AGGWBTHJSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)CCN1 ZINC001246386619 804316477 /nfs/dbraw/zinc/31/64/77/804316477.db2.gz XPVYXMFOPSCXKM-DZGCQCFKSA-N 1 3 292.854 3.393 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246387460 804318013 /nfs/dbraw/zinc/31/80/13/804318013.db2.gz FHLNNERITGHOAU-HUUCEWRRSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246431068 804330080 /nfs/dbraw/zinc/33/00/80/804330080.db2.gz IXIVRJYPWXYCFJ-YOEHRIQHSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCNCC23CC3)cc1 ZINC001246474657 804351361 /nfs/dbraw/zinc/35/13/61/804351361.db2.gz RNTDGOQGKYGOOF-NVXWUHKLSA-N 1 3 272.436 3.048 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246494523 804361334 /nfs/dbraw/zinc/36/13/34/804361334.db2.gz HCMSTTMNBXCHQS-SZMVWBNQSA-N 1 3 274.452 3.374 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246512137 804367681 /nfs/dbraw/zinc/36/76/81/804367681.db2.gz ASUXABTZZOJOIH-ZQIUZPCESA-N 1 3 266.473 3.425 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)C2CNC2)CC(C)(C)C1 ZINC001246513858 804368864 /nfs/dbraw/zinc/36/88/64/804368864.db2.gz FLKGIOBNEJKASA-UHOFOFEASA-N 1 3 264.457 3.179 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H](C2CCC2)C2CNC2)CC1 ZINC001246517834 804370677 /nfs/dbraw/zinc/37/06/77/804370677.db2.gz NARPJZXCTDABBI-IMRCBTMISA-N 1 3 264.457 3.179 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CCN1 ZINC001246516430 804370793 /nfs/dbraw/zinc/37/07/93/804370793.db2.gz SLYFHGXAVZHFKW-WMZOPIPTSA-N 1 3 272.436 3.054 20 0 CGADHO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCN[C@H](C)C1 ZINC001246537349 804385162 /nfs/dbraw/zinc/38/51/62/804385162.db2.gz VJZOVYJEOAPMFM-VYDXJSESSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@H]1CCN[C@H](C)C1 ZINC001246537349 804385170 /nfs/dbraw/zinc/38/51/70/804385170.db2.gz VJZOVYJEOAPMFM-VYDXJSESSA-N 1 3 290.451 3.089 20 0 CGADHO N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539291 804387937 /nfs/dbraw/zinc/38/79/37/804387937.db2.gz HDWUTEXINJPXNW-BRWVUGGUSA-N 1 3 258.409 3.136 20 0 CGADHO N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001246539291 804387945 /nfs/dbraw/zinc/38/79/45/804387945.db2.gz HDWUTEXINJPXNW-BRWVUGGUSA-N 1 3 258.409 3.136 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246541057 804390493 /nfs/dbraw/zinc/39/04/93/804390493.db2.gz LLRJVGPCIIDMKO-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246541057 804390503 /nfs/dbraw/zinc/39/05/03/804390503.db2.gz LLRJVGPCIIDMKO-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001246549099 804397387 /nfs/dbraw/zinc/39/73/87/804397387.db2.gz HAPJEUANMIZYOW-OWCLPIDISA-N 1 3 292.492 3.392 20 0 CGADHO C[C@@H]1CN([C@H]2CC[NH2+]C(C)(C)C2)Cc2ccccc21 ZINC001246548755 804398695 /nfs/dbraw/zinc/39/86/95/804398695.db2.gz OJBNSMZSUFLPFO-HIFRSBDPSA-N 1 3 258.409 3.136 20 0 CGADHO CC1(F)CC[NH+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246551512 804400278 /nfs/dbraw/zinc/40/02/78/804400278.db2.gz NCDJRABCMIFESO-IAGOWNOFSA-N 1 3 290.426 3.174 20 0 CGADHO CC1(F)CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246551512 804400284 /nfs/dbraw/zinc/40/02/84/804400284.db2.gz NCDJRABCMIFESO-IAGOWNOFSA-N 1 3 290.426 3.174 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246559619 804407748 /nfs/dbraw/zinc/40/77/48/804407748.db2.gz SJOPIYQEUWKIIN-MJBXVCDLSA-N 1 3 276.415 3.363 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]1C ZINC001246573767 804420797 /nfs/dbraw/zinc/42/07/97/804420797.db2.gz MEFFIAOGBFLVTF-DGXTUMSLSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]1C ZINC001246573767 804420801 /nfs/dbraw/zinc/42/08/01/804420801.db2.gz MEFFIAOGBFLVTF-DGXTUMSLSA-N 1 3 250.430 3.028 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246614337 804449030 /nfs/dbraw/zinc/44/90/30/804449030.db2.gz RUDCLFWYTSCZCX-GOEBONIOSA-N 1 3 284.513 3.372 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246614337 804449034 /nfs/dbraw/zinc/44/90/34/804449034.db2.gz RUDCLFWYTSCZCX-GOEBONIOSA-N 1 3 284.513 3.372 20 0 CGADHO CC1(C)CC[C@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246616429 804450125 /nfs/dbraw/zinc/45/01/25/804450125.db2.gz WHKKOKMWGZMOLG-GOEBONIOSA-N 1 3 250.430 3.173 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627862 804458633 /nfs/dbraw/zinc/45/86/33/804458633.db2.gz AOZUEHCJBNRLAL-ZJPYXAASSA-N 1 3 270.420 3.149 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629018 804460302 /nfs/dbraw/zinc/46/03/02/804460302.db2.gz MOHIHVQAFPSJRF-ARFHVFGLSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629018 804460306 /nfs/dbraw/zinc/46/03/06/804460306.db2.gz MOHIHVQAFPSJRF-ARFHVFGLSA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc(C[C@H]2C[C@H]([NH+]3CC4(C3)CCCC4)CCN2)cc1 ZINC001246632249 804463030 /nfs/dbraw/zinc/46/30/30/804463030.db2.gz WDJZSWZKRQNTOF-ZWKOTPCHSA-N 1 3 284.447 3.226 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246634711 804464184 /nfs/dbraw/zinc/46/41/84/804464184.db2.gz HAFNXHPAWYSYGG-SFHVURJKSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246634711 804464189 /nfs/dbraw/zinc/46/41/89/804464189.db2.gz HAFNXHPAWYSYGG-SFHVURJKSA-N 1 3 296.499 3.149 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642534 804470305 /nfs/dbraw/zinc/47/03/05/804470305.db2.gz WSPBHNKEYCZZQA-ROUUACIJSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642534 804470309 /nfs/dbraw/zinc/47/03/09/804470309.db2.gz WSPBHNKEYCZZQA-ROUUACIJSA-N 1 3 296.499 3.437 20 0 CGADHO C1C[C@H]2[C@H](CCN2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246644423 804472170 /nfs/dbraw/zinc/47/21/70/804472170.db2.gz HPDCCPKOPMDTGP-PMPSAXMXSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@H](CC[N@@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246644423 804472174 /nfs/dbraw/zinc/47/21/74/804472174.db2.gz HPDCCPKOPMDTGP-PMPSAXMXSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246644423 804472178 /nfs/dbraw/zinc/47/21/78/804472178.db2.gz HPDCCPKOPMDTGP-PMPSAXMXSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCCCC12CCNCC2 ZINC001246647986 804475747 /nfs/dbraw/zinc/47/57/47/804475747.db2.gz NSHKBYOSTSMXIR-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCCCC12CCNCC2 ZINC001246647986 804475750 /nfs/dbraw/zinc/47/57/50/804475750.db2.gz NSHKBYOSTSMXIR-OAHLLOKOSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651743 804478759 /nfs/dbraw/zinc/47/87/59/804478759.db2.gz ZDAIZRUUDUTFDO-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO CCCCC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246682161 804496253 /nfs/dbraw/zinc/49/62/53/804496253.db2.gz TVNXFNPDWIQAPK-XYPWUTKMSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246690321 804497241 /nfs/dbraw/zinc/49/72/41/804497241.db2.gz LVEGNIZFAIHCLV-ZWKOTPCHSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246690321 804497244 /nfs/dbraw/zinc/49/72/44/804497244.db2.gz LVEGNIZFAIHCLV-ZWKOTPCHSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246690319 804497570 /nfs/dbraw/zinc/49/75/70/804497570.db2.gz LVEGNIZFAIHCLV-QZTJIDSGSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246690319 804497572 /nfs/dbraw/zinc/49/75/72/804497572.db2.gz LVEGNIZFAIHCLV-QZTJIDSGSA-N 1 3 272.436 3.397 20 0 CGADHO COc1ccc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246780896 804508829 /nfs/dbraw/zinc/50/88/29/804508829.db2.gz MPIFCHULMNGESV-ONYGOOLBSA-N 1 3 286.419 3.115 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](C)N1 ZINC001246784018 804510549 /nfs/dbraw/zinc/51/05/49/804510549.db2.gz SVNXRHVGTJXGQQ-QHQBAMHZSA-N 1 3 276.468 3.416 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](C)N1 ZINC001246784018 804510552 /nfs/dbraw/zinc/51/05/52/804510552.db2.gz SVNXRHVGTJXGQQ-QHQBAMHZSA-N 1 3 276.468 3.416 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C(C)C)C1 ZINC001246790789 804513352 /nfs/dbraw/zinc/51/33/52/804513352.db2.gz MXOWWROFEQTDJO-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C(C)C)C1 ZINC001246790789 804513358 /nfs/dbraw/zinc/51/33/58/804513358.db2.gz MXOWWROFEQTDJO-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CCCCCC[C@H](CC)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789001 804514337 /nfs/dbraw/zinc/51/43/37/804514337.db2.gz AMRMYLWCVPQHEY-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@H](CC)[N@H+]1CCCC2(CNC2)C1 ZINC001246789001 804514340 /nfs/dbraw/zinc/51/43/40/804514340.db2.gz AMRMYLWCVPQHEY-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)OC)CCN1 ZINC001246812386 804528166 /nfs/dbraw/zinc/52/81/66/804528166.db2.gz ZPBOSSPJAZQOFT-PMPSAXMXSA-N 1 3 282.472 3.187 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)OC)CCN1 ZINC001246812386 804528170 /nfs/dbraw/zinc/52/81/70/804528170.db2.gz ZPBOSSPJAZQOFT-PMPSAXMXSA-N 1 3 282.472 3.187 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822665 804537395 /nfs/dbraw/zinc/53/73/95/804537395.db2.gz MIZQSLDOJJEIQE-KYJSFNMBSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246822665 804537399 /nfs/dbraw/zinc/53/73/99/804537399.db2.gz MIZQSLDOJJEIQE-KYJSFNMBSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246822665 804537405 /nfs/dbraw/zinc/53/74/05/804537405.db2.gz MIZQSLDOJJEIQE-KYJSFNMBSA-N 1 3 288.435 3.363 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC001246841207 804550016 /nfs/dbraw/zinc/55/00/16/804550016.db2.gz MZXIULVGMNISPO-QZTJIDSGSA-N 1 3 274.452 3.329 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC001246841207 804550019 /nfs/dbraw/zinc/55/00/19/804550019.db2.gz MZXIULVGMNISPO-QZTJIDSGSA-N 1 3 274.452 3.329 20 0 CGADHO CC[C@H]1CC([N@H+](C)CC2CCCC2)C[C@H](CC)N1 ZINC001246841108 804550951 /nfs/dbraw/zinc/55/09/51/804550951.db2.gz MOCVZXJRIWTZKP-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H]1CC([N@@H+](C)CC2CCCC2)C[C@H](CC)N1 ZINC001246841108 804550954 /nfs/dbraw/zinc/55/09/54/804550954.db2.gz MOCVZXJRIWTZKP-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccc(SC[C@H](C)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001246845801 804554286 /nfs/dbraw/zinc/55/42/86/804554286.db2.gz LZOFKRZPFDVTOB-HRCADAONSA-N 1 3 290.476 3.017 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854738 804564075 /nfs/dbraw/zinc/56/40/75/804564075.db2.gz RCWOOIYLLLTACP-RCCFBDPRSA-N 1 3 272.436 3.211 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868105 804571068 /nfs/dbraw/zinc/57/10/68/804571068.db2.gz QLVCLKYHPSGGKV-VGWMRTNUSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868105 804571074 /nfs/dbraw/zinc/57/10/74/804571074.db2.gz QLVCLKYHPSGGKV-VGWMRTNUSA-N 1 3 252.446 3.131 20 0 CGADHO Nc1ccc(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246930004 804605142 /nfs/dbraw/zinc/60/51/42/804605142.db2.gz JMIACIDXVHZJFM-BWTSREIZSA-N 1 3 299.462 3.121 20 0 CGADHO CC(C)OCC[C@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246936792 804608904 /nfs/dbraw/zinc/60/89/04/804608904.db2.gz KCLNVTARBJNRLR-DLBZAZTESA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)OCC[C@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246936792 804608907 /nfs/dbraw/zinc/60/89/07/804608907.db2.gz KCLNVTARBJNRLR-DLBZAZTESA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)OCC[C@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246936797 804609130 /nfs/dbraw/zinc/60/91/30/804609130.db2.gz KCLNVTARBJNRLR-IRXDYDNUSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)OCC[C@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246936797 804609135 /nfs/dbraw/zinc/60/91/35/804609135.db2.gz KCLNVTARBJNRLR-IRXDYDNUSA-N 1 3 296.499 3.434 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001257467191 807170652 /nfs/dbraw/zinc/17/06/52/807170652.db2.gz HLEQGUBQZQUNHY-QZTJIDSGSA-N 1 3 297.531 3.207 20 0 CGADHO CCCCC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257505717 807184803 /nfs/dbraw/zinc/18/48/03/807184803.db2.gz XWJUQNWHYSZUOC-INIZCTEOSA-N 1 3 296.499 3.436 20 0 CGADHO C1=CC[C@@H](CN2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167924656 807275593 /nfs/dbraw/zinc/27/55/93/807275593.db2.gz SLDOQVACVJXXNS-CBZIJGRNSA-N 1 3 274.452 3.195 20 0 CGADHO CC1(C)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982844 807289835 /nfs/dbraw/zinc/28/98/35/807289835.db2.gz CIIAKQQVWIKNJF-XYPWUTKMSA-N 1 3 262.441 3.266 20 0 CGADHO CC1(C)CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982844 807289841 /nfs/dbraw/zinc/28/98/41/807289841.db2.gz CIIAKQQVWIKNJF-XYPWUTKMSA-N 1 3 262.441 3.266 20 0 CGADHO C[C@H]1CC(N2CC=CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041596 807303564 /nfs/dbraw/zinc/30/35/64/807303564.db2.gz UASCDMQHUCBXHY-HOTGVXAUSA-N 1 3 270.420 3.300 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168151994 807327207 /nfs/dbraw/zinc/32/72/07/807327207.db2.gz CLCIWLVRVIFUKT-ZDUSSCGKSA-N 1 3 268.832 3.332 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168151994 807327215 /nfs/dbraw/zinc/32/72/15/807327215.db2.gz CLCIWLVRVIFUKT-ZDUSSCGKSA-N 1 3 268.832 3.332 20 0 CGADHO Cc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1C ZINC001168352739 807390902 /nfs/dbraw/zinc/39/09/02/807390902.db2.gz BOMQEPSUPXEBEY-UHFFFAOYSA-N 1 3 272.436 3.267 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168413734 807409382 /nfs/dbraw/zinc/40/93/82/807409382.db2.gz AFFRZYGMUNVREO-FGTMMUONSA-N 1 3 290.426 3.145 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001258333320 807414691 /nfs/dbraw/zinc/41/46/91/807414691.db2.gz LZPHYIKWNFMREY-MJBXVCDLSA-N 1 3 272.502 3.369 20 0 CGADHO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258617748 807511859 /nfs/dbraw/zinc/51/18/59/807511859.db2.gz UJGBRGNHHNQKCZ-HNNXBMFYSA-N 1 3 287.451 3.009 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ncccc1C ZINC001169090638 807571253 /nfs/dbraw/zinc/57/12/53/807571253.db2.gz JYSJKXKCPZFKLP-JONQDZQNSA-N 1 3 273.424 3.056 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001258768490 807603666 /nfs/dbraw/zinc/60/36/66/807603666.db2.gz OLDRVPYYMDGEOB-DLBZAZTESA-N 1 3 276.399 3.146 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC001258880375 807662243 /nfs/dbraw/zinc/66/22/43/807662243.db2.gz ROCMDVMBQRXWKU-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO CCCC[N@H+](C)CCCN[C@H](C)Cc1ccccc1OC ZINC001258880375 807662246 /nfs/dbraw/zinc/66/22/46/807662246.db2.gz ROCMDVMBQRXWKU-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@H](C)Cc1ccccc1OC ZINC001258880375 807662254 /nfs/dbraw/zinc/66/22/54/807662254.db2.gz ROCMDVMBQRXWKU-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001170118039 807764150 /nfs/dbraw/zinc/76/41/50/807764150.db2.gz PESSRMQGVILQNH-DOTOQJQBSA-N 1 3 287.451 3.072 20 0 CGADHO CC[C@@H]1C[C@H](N[C@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001170169520 807784162 /nfs/dbraw/zinc/78/41/62/807784162.db2.gz DPFOHYADRGVDCF-KZNAEPCWSA-N 1 3 290.451 3.227 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+]CCCN1CCCC1 ZINC001170247020 807802990 /nfs/dbraw/zinc/80/29/90/807802990.db2.gz FRMYIQRKLRDXLQ-CQSZACIVSA-N 1 3 280.843 3.347 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH2+]CCCN1CCCC1 ZINC001170247019 807803599 /nfs/dbraw/zinc/80/35/99/807803599.db2.gz FRMYIQRKLRDXLQ-AWEZNQCLSA-N 1 3 280.843 3.347 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccccc1Cl ZINC001170250884 807805368 /nfs/dbraw/zinc/80/53/68/807805368.db2.gz VFAYLNKRHDNJFL-ZDUSSCGKSA-N 1 3 268.832 3.332 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccccc1Cl ZINC001170250884 807805378 /nfs/dbraw/zinc/80/53/78/807805378.db2.gz VFAYLNKRHDNJFL-ZDUSSCGKSA-N 1 3 268.832 3.332 20 0 CGADHO CCCN(CCC[NH3+])[C@@H](C)Cc1ccccc1Cl ZINC001170250884 807805383 /nfs/dbraw/zinc/80/53/83/807805383.db2.gz VFAYLNKRHDNJFL-ZDUSSCGKSA-N 1 3 268.832 3.332 20 0 CGADHO CCN(CCC[NH+](C)C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715555 807882024 /nfs/dbraw/zinc/88/20/24/807882024.db2.gz LZGMZFGFUIOEBS-HNNXBMFYSA-N 1 3 296.405 3.096 20 0 CGADHO CC[NH+](CC)CCCN[C@@H]1CCc2cccc(F)c2C1 ZINC001170941601 807940702 /nfs/dbraw/zinc/94/07/02/807940702.db2.gz CVPHIAUVQGLUFZ-OAHLLOKOSA-N 1 3 278.415 3.005 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170941601 807940707 /nfs/dbraw/zinc/94/07/07/807940707.db2.gz CVPHIAUVQGLUFZ-OAHLLOKOSA-N 1 3 278.415 3.005 20 0 CGADHO Cc1cccc2c1CC[C@@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001171558987 808095824 /nfs/dbraw/zinc/09/58/24/808095824.db2.gz SDUBMJJFMQJGMC-GOSISDBHSA-N 1 3 298.474 3.446 20 0 CGADHO CN1C(C)(C)CC([NH2+]CC2CCSCC2)CC1(C)C ZINC001171630269 808108094 /nfs/dbraw/zinc/10/80/94/808108094.db2.gz KGLPGWANTDXJLX-UHFFFAOYSA-N 1 3 284.513 3.371 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2CC=CCC2)CC1(C)C ZINC001171627330 808108174 /nfs/dbraw/zinc/10/81/74/808108174.db2.gz PSCSNRFCLWIALF-CYBMUJFWSA-N 1 3 250.430 3.336 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@H]2C2CC2)CC1(C)C ZINC001171628662 808108356 /nfs/dbraw/zinc/10/83/56/808108356.db2.gz FKECERDMETWVQW-UONOGXRCSA-N 1 3 250.430 3.026 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001171678453 808121411 /nfs/dbraw/zinc/12/14/11/808121411.db2.gz FVRXGDJFGCBRST-QGZVFWFLSA-N 1 3 286.463 3.344 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccnc3ccccc13)C2 ZINC001172099349 808172023 /nfs/dbraw/zinc/17/20/23/808172023.db2.gz JMMCCDYTWWAYAM-OSYLJGHBSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccnc3ccccc13)C2 ZINC001172099349 808172025 /nfs/dbraw/zinc/17/20/25/808172025.db2.gz JMMCCDYTWWAYAM-OSYLJGHBSA-N 1 3 295.430 3.340 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129296 808185357 /nfs/dbraw/zinc/18/53/57/808185357.db2.gz YCAKJTWIODEVAS-CBBWQLFWSA-N 1 3 291.464 3.295 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129296 808185362 /nfs/dbraw/zinc/18/53/62/808185362.db2.gz YCAKJTWIODEVAS-CBBWQLFWSA-N 1 3 291.464 3.295 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129299 808186593 /nfs/dbraw/zinc/18/65/93/808186593.db2.gz YCAKJTWIODEVAS-LXTVHRRPSA-N 1 3 291.464 3.295 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1nccs1)C2 ZINC001172129299 808186596 /nfs/dbraw/zinc/18/65/96/808186596.db2.gz YCAKJTWIODEVAS-LXTVHRRPSA-N 1 3 291.464 3.295 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)C[C@H]1C ZINC001172375592 808269523 /nfs/dbraw/zinc/26/95/23/808269523.db2.gz DHOYMJMBWYOWTJ-CKEIUWERSA-N 1 3 264.457 3.370 20 0 CGADHO CC(C)OCC[C@@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172435166 808311184 /nfs/dbraw/zinc/31/11/84/808311184.db2.gz YOJVMFSVCWTSDW-SJLPKXTDSA-N 1 3 292.467 3.473 20 0 CGADHO CO[C@@H]1CCC[C@H](N[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001172915328 808477824 /nfs/dbraw/zinc/47/78/24/808477824.db2.gz CHAWQTYCTJFULY-KSZLIROESA-N 1 3 290.451 3.227 20 0 CGADHO Cc1cc(F)cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001274998622 808897484 /nfs/dbraw/zinc/89/74/84/808897484.db2.gz CGJVWBJVYGQTQO-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cc(F)cc(CN2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001274998622 808897490 /nfs/dbraw/zinc/89/74/90/808897490.db2.gz CGJVWBJVYGQTQO-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001275955922 808979866 /nfs/dbraw/zinc/97/98/66/808979866.db2.gz AEEOAUOLDHBVAL-IBGZPJMESA-N 1 3 297.446 3.394 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001275955922 808979870 /nfs/dbraw/zinc/97/98/70/808979870.db2.gz AEEOAUOLDHBVAL-IBGZPJMESA-N 1 3 297.446 3.394 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)c(C)cc1C ZINC001276025296 808985059 /nfs/dbraw/zinc/98/50/59/808985059.db2.gz MZEULCDLZBQSOB-AYHJJNSGSA-N 1 3 272.436 3.327 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001179818566 809949161 /nfs/dbraw/zinc/94/91/61/809949161.db2.gz YXDIOOQHEMUNBU-OFQRWUPVSA-N 1 3 278.827 3.078 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001184387446 810196838 /nfs/dbraw/zinc/19/68/38/810196838.db2.gz JYRCHDUUWBTYIH-YHUYYLMFSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc3n2CCNC3)c1 ZINC001204848802 812752962 /nfs/dbraw/zinc/75/29/62/812752962.db2.gz USEBLBMIJBPCMD-IBGZPJMESA-N 1 3 295.430 3.237 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc3n2CCNC3)c1 ZINC001204848802 812752967 /nfs/dbraw/zinc/75/29/67/812752967.db2.gz USEBLBMIJBPCMD-IBGZPJMESA-N 1 3 295.430 3.237 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@H]([NH3+])CC1 ZINC001205094160 812858956 /nfs/dbraw/zinc/85/89/56/812858956.db2.gz JGNHFVIPNQWBMJ-HNNXBMFYSA-N 1 3 284.403 3.162 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093880 812859492 /nfs/dbraw/zinc/85/94/92/812859492.db2.gz HFTRHHMZCJSGRR-KRWDZBQOSA-N 1 3 260.425 3.166 20 0 CGADHO CC(C)Oc1cccc(CN2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205273849 812925904 /nfs/dbraw/zinc/92/59/04/812925904.db2.gz QDLWAGASWWICGS-QGZVFWFLSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(-c3cccnc3)cc2)C[C@H]1C[NH3+] ZINC001205303357 812940518 /nfs/dbraw/zinc/94/05/18/812940518.db2.gz CVIHFSQDKONFNA-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H]1CCN(Cc2cc(F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205618583 813028265 /nfs/dbraw/zinc/02/82/65/813028265.db2.gz XIJBBVWKYNKEJO-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CN(Cc2ccc(Cl)cc2F)CCC[C@H]1C[NH3+] ZINC001205993669 813155730 /nfs/dbraw/zinc/15/57/30/813155730.db2.gz IGRSKQFNIJRKJW-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CN(Cc2csc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206014011 813166641 /nfs/dbraw/zinc/16/66/41/813166641.db2.gz UZVPJGRTDVNHGL-PWSUYJOCSA-N 1 3 272.845 3.208 20 0 CGADHO C[C@H]1CNCCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206257947 813260207 /nfs/dbraw/zinc/26/02/07/813260207.db2.gz NWPHWCVKAGKQFO-DUVNUKRYSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@H]1CNCCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206257947 813260209 /nfs/dbraw/zinc/26/02/09/813260209.db2.gz NWPHWCVKAGKQFO-DUVNUKRYSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC001206304889 813282249 /nfs/dbraw/zinc/28/22/49/813282249.db2.gz QNFZTTSDHDKPTF-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO COc1cccc(Cl)c1CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206311454 813284623 /nfs/dbraw/zinc/28/46/23/813284623.db2.gz OWOXTBJVFKETTM-INIZCTEOSA-N 1 3 296.842 3.300 20 0 CGADHO Cc1ccc2cc(CN3CCCC[C@](C)(C[NH3+])C3)ccc2n1 ZINC001206556724 813351355 /nfs/dbraw/zinc/35/13/55/813351355.db2.gz WBPSLTNLNBKTQP-LJQANCHMSA-N 1 3 297.446 3.494 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001206572639 813360015 /nfs/dbraw/zinc/36/00/15/813360015.db2.gz FUQYNMCUTDOQHH-SFHVURJKSA-N 1 3 298.434 3.028 20 0 CGADHO COc1ccc2oc(CN3CCCC[C@@H](C[NH3+])C3)cc2c1 ZINC001206615096 813375137 /nfs/dbraw/zinc/37/51/37/813375137.db2.gz BXQVPHHAFKVCRB-ZDUSSCGKSA-N 1 3 288.391 3.002 20 0 CGADHO [NH3+]C[C@H]1CCCCN(Cc2cccc(-c3ccccc3)n2)C1 ZINC001206640739 813383184 /nfs/dbraw/zinc/38/31/84/813383184.db2.gz MCUXDBRTACXQNE-MRXNPFEDSA-N 1 3 295.430 3.309 20 0 CGADHO CCn1ccc2ccc(CN3C[C@@H](C[NH3+])CC[C@@H]3C)cc21 ZINC001206768547 813430523 /nfs/dbraw/zinc/43/05/23/813430523.db2.gz KJBWQZALAFRLAT-GOEBONIOSA-N 1 3 285.435 3.220 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC001207282618 813534430 /nfs/dbraw/zinc/53/44/30/813534430.db2.gz MCYMWCLALAVXPK-OAHLLOKOSA-N 1 3 278.415 3.203 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001207285474 813535327 /nfs/dbraw/zinc/53/53/27/813535327.db2.gz LKKDYIFMEGSDHS-UHFFFAOYSA-N 1 3 268.832 3.360 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001207285474 813535332 /nfs/dbraw/zinc/53/53/32/813535332.db2.gz LKKDYIFMEGSDHS-UHFFFAOYSA-N 1 3 268.832 3.360 20 0 CGADHO Cc1cccc(CCN2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001207554783 813594254 /nfs/dbraw/zinc/59/42/54/813594254.db2.gz LXBDGTGCEXUGSS-UHFFFAOYSA-N 1 3 295.430 3.063 20 0 CGADHO CC1(N2CCOCC2)CCC([NH2+]C2CCC=CCC2)CC1 ZINC001207582292 813598911 /nfs/dbraw/zinc/59/89/11/813598911.db2.gz YWBUHAHJMKALQA-UHFFFAOYSA-N 1 3 292.467 3.108 20 0 CGADHO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001207838142 813658048 /nfs/dbraw/zinc/65/80/48/813658048.db2.gz WIQITCZOEIIEMI-IGKNDFSCSA-N 1 3 276.468 3.441 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](COC)CC(C)(C)C ZINC001207858696 813662203 /nfs/dbraw/zinc/66/22/03/813662203.db2.gz ZHOYMINAGBULOV-CABCVRRESA-N 1 3 272.477 3.148 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@H](COC)CC(C)(C)C ZINC001207858696 813662207 /nfs/dbraw/zinc/66/22/07/813662207.db2.gz ZHOYMINAGBULOV-CABCVRRESA-N 1 3 272.477 3.148 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608347 813774404 /nfs/dbraw/zinc/77/44/04/813774404.db2.gz HKOFYLSUDVOWGQ-CABCVRRESA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001208608347 813774406 /nfs/dbraw/zinc/77/44/06/813774406.db2.gz HKOFYLSUDVOWGQ-CABCVRRESA-N 1 3 292.854 3.471 20 0 CGADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607327 813775314 /nfs/dbraw/zinc/77/53/14/813775314.db2.gz LRKFXNNZCZMRBU-CXAGYDPISA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607327 813775320 /nfs/dbraw/zinc/77/53/20/813775320.db2.gz LRKFXNNZCZMRBU-CXAGYDPISA-N 1 3 294.389 3.444 20 0 CGADHO CN1CC=C(Nc2ccccc2C[NH+]2CCCCC2)CC1 ZINC001208844699 813865003 /nfs/dbraw/zinc/86/50/03/813865003.db2.gz UPTUSEFDWXWIMB-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CCN[C@H](C)CC2)c(C)c1C ZINC001210497932 814490170 /nfs/dbraw/zinc/49/01/70/814490170.db2.gz PUKFBNUKJPMCJA-GFCCVEGCSA-N 1 3 274.452 3.413 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CCN[C@H](C)CC2)c(C)c1C ZINC001210497932 814490177 /nfs/dbraw/zinc/49/01/77/814490177.db2.gz PUKFBNUKJPMCJA-GFCCVEGCSA-N 1 3 274.452 3.413 20 0 CGADHO C[NH+](C)CC[C@H](Oc1cccc2c1CNC2)c1ccccc1 ZINC001218306724 816159419 /nfs/dbraw/zinc/15/94/19/816159419.db2.gz WMWOVJSITNKBFE-SFHVURJKSA-N 1 3 296.414 3.362 20 0 CGADHO CN(C)Cc1c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)ccc2ccccc21 ZINC001218445546 816216647 /nfs/dbraw/zinc/21/66/47/816216647.db2.gz ZXIPEFVYAJBYJD-LSBZLQRGSA-N 1 3 296.414 3.031 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(C2)CCCNC3)C1(C)C ZINC001222141708 816357595 /nfs/dbraw/zinc/35/75/95/816357595.db2.gz QUTBQJFOQGCCJO-AEFFLSMTSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@@]3(C2)CCCNC3)C1(C)C ZINC001222141708 816357599 /nfs/dbraw/zinc/35/75/99/816357599.db2.gz QUTBQJFOQGCCJO-AEFFLSMTSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC001222141418 816358069 /nfs/dbraw/zinc/35/80/69/816358069.db2.gz KWCSWMPYDLTJDN-ULQDDVLXSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC001222141418 816358075 /nfs/dbraw/zinc/35/80/75/816358075.db2.gz KWCSWMPYDLTJDN-ULQDDVLXSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@]3(C2)CCCNC3)C1(C)C ZINC001222141713 816358572 /nfs/dbraw/zinc/35/85/72/816358572.db2.gz QUTBQJFOQGCCJO-SJLPKXTDSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@]3(C2)CCCNC3)C1(C)C ZINC001222141713 816358580 /nfs/dbraw/zinc/35/85/80/816358580.db2.gz QUTBQJFOQGCCJO-SJLPKXTDSA-N 1 3 276.468 3.444 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222154425 816362818 /nfs/dbraw/zinc/36/28/18/816362818.db2.gz LSFLAAIDONHWDM-GOSISDBHSA-N 1 3 272.436 3.133 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@]12CCCNC2)c1ccccc1 ZINC001222231860 816379300 /nfs/dbraw/zinc/37/93/00/816379300.db2.gz QCGMNMFGHMSBAG-WBVHZDCISA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@]12CCCNC2)c1ccccc1 ZINC001222231860 816379305 /nfs/dbraw/zinc/37/93/05/816379305.db2.gz QCGMNMFGHMSBAG-WBVHZDCISA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@]12CCCNC2)c1ccccc1 ZINC001222231857 816380209 /nfs/dbraw/zinc/38/02/09/816380209.db2.gz QCGMNMFGHMSBAG-NVXWUHKLSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@]12CCCNC2)c1ccccc1 ZINC001222231857 816380217 /nfs/dbraw/zinc/38/02/17/816380217.db2.gz QCGMNMFGHMSBAG-NVXWUHKLSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H]1C[N@@H+](Cc2cc3c[nH]ccc-3n2)CCC[C@@H]1C ZINC001232010772 818233715 /nfs/dbraw/zinc/23/37/15/818233715.db2.gz AAPNSZHVIYHOGU-STQMWFEESA-N 1 3 257.381 3.431 20 0 CGADHO C[C@H]1C[N@H+](Cc2cc3c[nH]ccc-3n2)CCC[C@@H]1C ZINC001232010772 818233719 /nfs/dbraw/zinc/23/37/19/818233719.db2.gz AAPNSZHVIYHOGU-STQMWFEESA-N 1 3 257.381 3.431 20 0 CGADHO CC1([NH+]2CCCC2)CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232017303 818234936 /nfs/dbraw/zinc/23/49/36/818234936.db2.gz PBZFJAXWJLHDPI-UHFFFAOYSA-N 1 3 298.434 3.013 20 0 CGADHO CC1([NH+]2CCCC2)CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232017303 818234941 /nfs/dbraw/zinc/23/49/41/818234941.db2.gz PBZFJAXWJLHDPI-UHFFFAOYSA-N 1 3 298.434 3.013 20 0 CGADHO C[N@@H+](Cc1cc2cnccc2[nH]1)CC1CC(F)(F)C1 ZINC001232016141 818235328 /nfs/dbraw/zinc/23/53/28/818235328.db2.gz RKVDOOZRJDKJJC-UHFFFAOYSA-N 1 3 265.307 3.040 20 0 CGADHO C[N@H+](Cc1cc2cnccc2[nH]1)CC1CC(F)(F)C1 ZINC001232016141 818235333 /nfs/dbraw/zinc/23/53/33/818235333.db2.gz RKVDOOZRJDKJJC-UHFFFAOYSA-N 1 3 265.307 3.040 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC001232146551 818264550 /nfs/dbraw/zinc/26/45/50/818264550.db2.gz TWZHJVIDGPLSII-HNNXBMFYSA-N 1 3 298.352 3.118 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CCC(CF)CC2)c1 ZINC001232146400 818265008 /nfs/dbraw/zinc/26/50/08/818265008.db2.gz PNYLLGCRJQKBDP-UHFFFAOYSA-N 1 3 282.378 3.069 20 0 CGADHO Clc1ccc(CCCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001234980529 818970737 /nfs/dbraw/zinc/97/07/37/818970737.db2.gz YTUYXBFENLGKSD-BETUJISGSA-N 1 3 299.245 3.077 20 0 CGADHO NCC12CC(C1)C[N@@H+]2CCCc1ccccc1C(F)(F)F ZINC001235006965 818978873 /nfs/dbraw/zinc/97/88/73/818978873.db2.gz IDRIRWHPXKKEHF-UHFFFAOYSA-N 1 3 298.352 3.061 20 0 CGADHO NCC12CC(C1)C[N@H+]2CCCc1ccccc1C(F)(F)F ZINC001235006965 818978879 /nfs/dbraw/zinc/97/88/79/818978879.db2.gz IDRIRWHPXKKEHF-UHFFFAOYSA-N 1 3 298.352 3.061 20 0 CGADHO Cc1c2ccccc2sc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032320 818983717 /nfs/dbraw/zinc/98/37/17/818983717.db2.gz JXHJBJFTYZDXAT-QGZVFWFLSA-N 1 3 286.444 3.395 20 0 CGADHO c1ccc(C2(C[N@@H+]3CCC34CCNCC4)CCCC2)cc1 ZINC001235102001 819002507 /nfs/dbraw/zinc/00/25/07/819002507.db2.gz KEAMSCZFJAQXDH-UHFFFAOYSA-N 1 3 284.447 3.326 20 0 CGADHO c1ccc(C2(C[N@H+]3CCC34CCNCC4)CCCC2)cc1 ZINC001235102001 819002513 /nfs/dbraw/zinc/00/25/13/819002513.db2.gz KEAMSCZFJAQXDH-UHFFFAOYSA-N 1 3 284.447 3.326 20 0 CGADHO c1ccc(C2(CN3CCC34CC[NH2+]CC4)CCCC2)cc1 ZINC001235102001 819002517 /nfs/dbraw/zinc/00/25/17/819002517.db2.gz KEAMSCZFJAQXDH-UHFFFAOYSA-N 1 3 284.447 3.326 20 0 CGADHO Cc1ccc2c(CN3CCC4(CC[NH2+]CC4)CC3)c[nH]c2c1 ZINC001235135778 819015214 /nfs/dbraw/zinc/01/52/14/819015214.db2.gz QMJQUVJBUYDPMS-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO c1cc(C2CC2)ccc1C[N@@H+]1CCCC12CCNCC2 ZINC001235145276 819015318 /nfs/dbraw/zinc/01/53/18/819015318.db2.gz SMFYNUVWSJACRJ-UHFFFAOYSA-N 1 3 270.420 3.282 20 0 CGADHO c1cc(C2CC2)ccc1C[N@H+]1CCCC12CCNCC2 ZINC001235145276 819015324 /nfs/dbraw/zinc/01/53/24/819015324.db2.gz SMFYNUVWSJACRJ-UHFFFAOYSA-N 1 3 270.420 3.282 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192937 819031372 /nfs/dbraw/zinc/03/13/72/819031372.db2.gz IBRFOLMUAZZPKN-IAGOWNOFSA-N 1 3 280.415 3.190 20 0 CGADHO [NH3+][C@@H]1[C@H]2CN(Cc3ccccc3-c3ccc(Cl)cc3)C[C@H]21 ZINC001235209953 819036300 /nfs/dbraw/zinc/03/63/00/819036300.db2.gz GIEOPBVROXFBFY-PIIMJCKOSA-N 1 3 298.817 3.396 20 0 CGADHO Cc1ccc(CN2CCC(C3C[NH2+]C3)CC2)cc1Cl ZINC001235338238 819070574 /nfs/dbraw/zinc/07/05/74/819070574.db2.gz FACZEHZGEKIPSW-UHFFFAOYSA-N 1 3 278.827 3.080 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001235401721 819086427 /nfs/dbraw/zinc/08/64/27/819086427.db2.gz HJDDOOSWYXXQNV-NXOAAHMSSA-N 1 3 280.431 3.002 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001235401721 819086432 /nfs/dbraw/zinc/08/64/32/819086432.db2.gz HJDDOOSWYXXQNV-NXOAAHMSSA-N 1 3 280.431 3.002 20 0 CGADHO Cc1cc(CN(C)CC2CC[NH2+]CC2)c(F)cc1Cl ZINC001235431788 819096852 /nfs/dbraw/zinc/09/68/52/819096852.db2.gz CNAWNOCOJDDEKS-UHFFFAOYSA-N 1 3 284.806 3.219 20 0 CGADHO CC[C@H](N)C[NH+]1CCC2(CCc3ccc(C)cc32)CC1 ZINC001235609831 819125625 /nfs/dbraw/zinc/12/56/25/819125625.db2.gz ZRTVTALOKHORQX-INIZCTEOSA-N 1 3 272.436 3.012 20 0 CGADHO COc1ccc(Cl)c(CN(C)CCC2CC[NH2+]CC2)c1 ZINC001235712339 819148417 /nfs/dbraw/zinc/14/84/17/819148417.db2.gz ABUHQOCHERONHJ-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO CCC(C)(C)c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235941224 819233810 /nfs/dbraw/zinc/23/38/10/819233810.db2.gz VCCWAHMXAMUBDN-DLBZAZTESA-N 1 3 286.463 3.416 20 0 CGADHO c1ccc([C@H]2CCN2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235950057 819240716 /nfs/dbraw/zinc/24/07/16/819240716.db2.gz ZIHNLISZMHUFTF-LJQANCHMSA-N 1 3 278.399 3.279 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+](C)C[C@@H]1CCCNC1 ZINC001235951368 819241540 /nfs/dbraw/zinc/24/15/40/819241540.db2.gz RLLGNBPJUWVWAW-HZPDHXFCSA-N 1 3 252.446 3.300 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC001235951368 819241546 /nfs/dbraw/zinc/24/15/46/819241546.db2.gz RLLGNBPJUWVWAW-HZPDHXFCSA-N 1 3 252.446 3.300 20 0 CGADHO c1cc2c(cc1CN1CC3(C1)CCCCC3)C[NH2+]CC2 ZINC001235991624 819261788 /nfs/dbraw/zinc/26/17/88/819261788.db2.gz GWYAYQDJNYXULW-UHFFFAOYSA-N 1 3 270.420 3.098 20 0 CGADHO COc1ccc([C@H]2CCN(CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097581 819316805 /nfs/dbraw/zinc/31/68/05/819316805.db2.gz LDRHBXCDOBLNIS-DLBZAZTESA-N 1 3 288.435 3.017 20 0 CGADHO CCCN(Cc1cc(OCC)ccc1C)C1CC[NH2+]CC1 ZINC001236185183 819359774 /nfs/dbraw/zinc/35/97/74/819359774.db2.gz ZOPUUSUWYJRHKF-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CCC[N@H+](Cc1cc(OCC)ccc1C)C1CCNCC1 ZINC001236185183 819359782 /nfs/dbraw/zinc/35/97/82/819359782.db2.gz ZOPUUSUWYJRHKF-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CCC[N@@H+](Cc1cc(OCC)ccc1C)C1CCNCC1 ZINC001236185183 819359788 /nfs/dbraw/zinc/35/97/88/819359788.db2.gz ZOPUUSUWYJRHKF-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO Cc1ccc2c(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c[nH]c2c1 ZINC001236210488 819371314 /nfs/dbraw/zinc/37/13/14/819371314.db2.gz CWSVIIAKVIBUGP-NVXWUHKLSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2c(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c[nH]c2c1 ZINC001236210488 819371318 /nfs/dbraw/zinc/37/13/18/819371318.db2.gz CWSVIIAKVIBUGP-NVXWUHKLSA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@H]1N ZINC001236213748 819377037 /nfs/dbraw/zinc/37/70/37/819377037.db2.gz BFXLWBXRQMMMPV-QZTJIDSGSA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc2cc(O)ccc2c1)[C@@H]1CCCC[C@H]1N ZINC001236213748 819377045 /nfs/dbraw/zinc/37/70/45/819377045.db2.gz BFXLWBXRQMMMPV-QZTJIDSGSA-N 1 3 284.403 3.247 20 0 CGADHO Cc1ccc2cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)ccc2n1 ZINC001236214840 819378380 /nfs/dbraw/zinc/37/83/80/819378380.db2.gz FRKZZJRXTHAHIC-WMZOPIPTSA-N 1 3 283.419 3.245 20 0 CGADHO Cc1ccc2cc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)ccc2n1 ZINC001236214840 819378389 /nfs/dbraw/zinc/37/83/89/819378389.db2.gz FRKZZJRXTHAHIC-WMZOPIPTSA-N 1 3 283.419 3.245 20 0 CGADHO C[N@H+](Cc1cccc2ccoc21)[C@@H]1CCCC[C@H]1N ZINC001236219235 819385759 /nfs/dbraw/zinc/38/57/59/819385759.db2.gz UWLLBSIYBITOSX-HUUCEWRRSA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCCC[C@H]1N ZINC001236219235 819385766 /nfs/dbraw/zinc/38/57/66/819385766.db2.gz UWLLBSIYBITOSX-HUUCEWRRSA-N 1 3 258.365 3.135 20 0 CGADHO CC(C)c1ccccc1CN(C)C1(C)CC[NH2+]CC1 ZINC001236226693 819391771 /nfs/dbraw/zinc/39/17/71/819391771.db2.gz RGHMPVCOPGOEET-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)c1ccccc1C[N@H+](C)C1(C)CCNCC1 ZINC001236226693 819391779 /nfs/dbraw/zinc/39/17/79/819391779.db2.gz RGHMPVCOPGOEET-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)c1ccccc1C[N@@H+](C)C1(C)CCNCC1 ZINC001236226693 819391788 /nfs/dbraw/zinc/39/17/88/819391788.db2.gz RGHMPVCOPGOEET-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO Cc1c(Br)cccc1C[N@H+](C)CCCN(C)C ZINC001236609549 819552297 /nfs/dbraw/zinc/55/22/97/819552297.db2.gz JUHURCBPHAGUQD-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO Cc1c(Br)cccc1C[N@@H+](C)CCCN(C)C ZINC001236609549 819552292 /nfs/dbraw/zinc/55/22/92/819552292.db2.gz JUHURCBPHAGUQD-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)CC1(c2ccccc2)CC1 ZINC001236826640 819610687 /nfs/dbraw/zinc/61/06/87/819610687.db2.gz CRXQEHMWSZQSPU-MRXNPFEDSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(-n3cccc3)cc2)C1 ZINC001237059833 819657191 /nfs/dbraw/zinc/65/71/91/819657191.db2.gz WAGGPJNXVXVNTC-GOSISDBHSA-N 1 3 283.419 3.038 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@H]2CN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237300985 819721192 /nfs/dbraw/zinc/72/11/92/819721192.db2.gz SAAHSBHVVPLDOX-JZXOWHBKSA-N 1 3 294.442 3.293 20 0 CGADHO Cc1ccc(CN2CCC3(CC[C@@H]3[NH3+])CC2)c(Cl)c1 ZINC001237355483 819733715 /nfs/dbraw/zinc/73/37/15/819733715.db2.gz CBOYWAJCBCIPKG-HNNXBMFYSA-N 1 3 278.827 3.352 20 0 CGADHO Cc1c(Cl)cccc1CN1CCC(C[NH+](C)C)CC1 ZINC001237738439 819828260 /nfs/dbraw/zinc/82/82/60/819828260.db2.gz PTVATSZPILRZMR-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO Fc1c(CN2CCCC2)cccc1C1=CCC[NH2+]CC1 ZINC001238948976 820164447 /nfs/dbraw/zinc/16/44/47/820164447.db2.gz DTWPAUZEMAVDLD-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO C[C@@H]([NH3+])c1ccc(-c2cccc(N3CCN(C)CC3)c2)cc1 ZINC001243670892 823480675 /nfs/dbraw/zinc/48/06/75/823480675.db2.gz DLNVFOMIZKTEQA-OAHLLOKOSA-N 1 3 295.430 3.125 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2=CCCN(C)C2)nc1 ZINC001241568405 821954510 /nfs/dbraw/zinc/95/45/10/821954510.db2.gz QMHSEEUCALJGES-OAHLLOKOSA-N 1 3 285.435 3.175 20 0 CGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(C2=CCCN(C)C2)nc1 ZINC001241568405 821954517 /nfs/dbraw/zinc/95/45/17/821954517.db2.gz QMHSEEUCALJGES-OAHLLOKOSA-N 1 3 285.435 3.175 20 0 CGADHO Fc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1CN1CCCC1 ZINC001242027656 822291197 /nfs/dbraw/zinc/29/11/97/822291197.db2.gz GEUMPZCSHITPIT-SJORKVTESA-N 1 3 286.394 3.329 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC001339276580 936364245 /nfs/dbraw/zinc/36/42/45/936364245.db2.gz PJOJGNZVHOSKSY-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC001339276580 936364248 /nfs/dbraw/zinc/36/42/48/936364248.db2.gz PJOJGNZVHOSKSY-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC001339276580 936364252 /nfs/dbraw/zinc/36/42/52/936364252.db2.gz PJOJGNZVHOSKSY-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495970 936406248 /nfs/dbraw/zinc/40/62/48/936406248.db2.gz UCPBBOKYIKQARK-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1Cl ZINC001353900514 937080884 /nfs/dbraw/zinc/08/08/84/937080884.db2.gz YMIVWMZBMFCBDU-CYBMUJFWSA-N 1 3 296.842 3.311 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC001308669658 928537555 /nfs/dbraw/zinc/53/75/55/928537555.db2.gz UWUXSSPLZHRAPA-MRXNPFEDSA-N 1 3 282.472 3.188 20 0 CGADHO CC[NH+](CC)C1CCN(C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC001330662473 932044332 /nfs/dbraw/zinc/04/43/32/932044332.db2.gz WIGQEFVMKCONCA-HNNXBMFYSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)(C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)CN1CCCC1 ZINC001461469881 937582513 /nfs/dbraw/zinc/58/25/13/937582513.db2.gz CWTCVKLZRWASBY-MUJYYYPQSA-N 1 3 264.457 3.277 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC001308864013 933192543 /nfs/dbraw/zinc/19/25/43/933192543.db2.gz OXKUSVXAYDWKDT-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC001308864013 933192546 /nfs/dbraw/zinc/19/25/46/933192546.db2.gz OXKUSVXAYDWKDT-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO C[N@H+]1CCCC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC001308864013 933192547 /nfs/dbraw/zinc/19/25/47/933192547.db2.gz OXKUSVXAYDWKDT-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308983617 933222062 /nfs/dbraw/zinc/22/20/62/933222062.db2.gz GFDZIALCOZCHDX-SMLCLMEVSA-N 1 3 266.473 3.377 20 0 CGADHO Cc1cnc2ccccc2c1N1CCC([NH+](C)C)CC1 ZINC001318996231 933807836 /nfs/dbraw/zinc/80/78/36/933807836.db2.gz BYZLCBXCWXEFSM-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cc2ccccc2[nH]1 ZINC001319814821 933936704 /nfs/dbraw/zinc/93/67/04/933936704.db2.gz YJYDDZGDBBFLNY-CQSZACIVSA-N 1 3 271.408 3.304 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2(C)CC2)CC1 ZINC001320094808 933999258 /nfs/dbraw/zinc/99/92/58/933999258.db2.gz MSHFJXKALZRHHN-UKRRQHHQSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2(C)CC2)CC1 ZINC001320094808 933999265 /nfs/dbraw/zinc/99/92/65/933999265.db2.gz MSHFJXKALZRHHN-UKRRQHHQSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)c1ncc(CN2CCCC3(CC[NH2+]CC3)C2)s1 ZINC001326202799 934958760 /nfs/dbraw/zinc/95/87/60/934958760.db2.gz UHUJXFLTLWTLGZ-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC001334111701 936085565 /nfs/dbraw/zinc/08/55/65/936085565.db2.gz XHJVOGDCJPNHCU-HNNXBMFYSA-N 1 3 250.430 3.195 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C(F)F)c(F)c1 ZINC001334774823 936112978 /nfs/dbraw/zinc/11/29/78/936112978.db2.gz PJGDNOZUUKRQHO-BXUZGUMPSA-N 1 3 286.341 3.370 20 0 CGADHO CC(C)CC[C@@H](O)CNC1CC[NH+](CC2CCCC2)CC1 ZINC001336723696 936210440 /nfs/dbraw/zinc/21/04/40/936210440.db2.gz PXTGWJPBHFUKHQ-GOSISDBHSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)CC[C@@H](O)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001336723696 936210441 /nfs/dbraw/zinc/21/04/41/936210441.db2.gz PXTGWJPBHFUKHQ-GOSISDBHSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)CCO1 ZINC001474108949 937840791 /nfs/dbraw/zinc/84/07/91/937840791.db2.gz LXYKSYFRAMXIRS-ULQDDVLXSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](CNCC[C@@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC001560750961 938273941 /nfs/dbraw/zinc/27/39/41/938273941.db2.gz MRJIEEXZQVEWIS-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@H](C[NH2+]CC[C@@H](C)N1CCCCC1)C1CCCC1 ZINC001560750961 938273942 /nfs/dbraw/zinc/27/39/42/938273942.db2.gz MRJIEEXZQVEWIS-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001561052739 938292169 /nfs/dbraw/zinc/29/21/69/938292169.db2.gz KCUQNKIDGUZASR-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001575421937 962378354 /nfs/dbraw/zinc/37/83/54/962378354.db2.gz CZNYKSGMDGDKPS-ZWKOTPCHSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001575421937 962378373 /nfs/dbraw/zinc/37/83/73/962378373.db2.gz CZNYKSGMDGDKPS-ZWKOTPCHSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC001575566554 962398644 /nfs/dbraw/zinc/39/86/44/962398644.db2.gz YKQUJGWRHQMNQM-PMPSAXMXSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)Oc1cccc(CNCc2ccccc2C[NH3+])c1 ZINC001575813024 962413501 /nfs/dbraw/zinc/41/35/01/962413501.db2.gz LPKBUKNASLVIOT-UHFFFAOYSA-N 1 3 284.403 3.222 20 0 CGADHO C[C@@]1(CN2CCCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502638 962464721 /nfs/dbraw/zinc/46/47/21/962464721.db2.gz DNGIJYBMPIYSDJ-QZTJIDSGSA-N 1 3 290.426 3.222 20 0 CGADHO CC1(C)CNC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001576477373 962466076 /nfs/dbraw/zinc/46/60/76/962466076.db2.gz SVWUDHMDMCJAJT-AWEZNQCLSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1C[C@H](c2cccc(F)c2)N(CC(C)(C)C[NH3+])C1 ZINC001576622373 962473761 /nfs/dbraw/zinc/47/37/61/962473761.db2.gz CXQINPBDUJTMAU-IUODEOHRSA-N 1 3 264.388 3.194 20 0 CGADHO CCC[C@@H](C)CCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001577340980 962525055 /nfs/dbraw/zinc/52/50/55/962525055.db2.gz OBBBFPPJXZLKNI-CVEARBPZSA-N 1 3 252.446 3.278 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32CN)s1 ZINC001577608628 962557099 /nfs/dbraw/zinc/55/70/99/962557099.db2.gz JNSYDNGUVAQATQ-DOMZBBRYSA-N 1 3 264.438 3.014 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@H]3CC[C@]32CN)s1 ZINC001577608628 962557106 /nfs/dbraw/zinc/55/71/06/962557106.db2.gz JNSYDNGUVAQATQ-DOMZBBRYSA-N 1 3 264.438 3.014 20 0 CGADHO CCc1ccc(CNCc2ccccc2C[NH3+])s1 ZINC001578259750 962588131 /nfs/dbraw/zinc/58/81/31/962588131.db2.gz IIHKDCQWXDBWBH-UHFFFAOYSA-N 1 3 260.406 3.059 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3C[C@@H]([NH3+])C34CCC4)C2)cc1 ZINC001579677808 962655205 /nfs/dbraw/zinc/65/52/05/962655205.db2.gz CPLRRBKEJWNLJW-BHUNQDJPSA-N 1 3 270.420 3.101 20 0 CGADHO [NH3+]CC[C@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC001580288746 962703745 /nfs/dbraw/zinc/70/37/45/962703745.db2.gz WMYXNJYXTKDLKG-AWEZNQCLSA-N 1 3 286.375 3.243 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069749 192036149 /nfs/dbraw/zinc/03/61/49/192036149.db2.gz NCLBJLFEKRQPAQ-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1C ZINC000273087822 192039276 /nfs/dbraw/zinc/03/92/76/192039276.db2.gz QUGVOAQQRLPPJY-OAHLLOKOSA-N 1 3 276.424 3.140 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@]2(C)CC)C1 ZINC000651685976 398269192 /nfs/dbraw/zinc/26/91/92/398269192.db2.gz LFTHRPVHXGENLU-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708994 398272415 /nfs/dbraw/zinc/27/24/15/398272415.db2.gz IALANPOBEXBWMF-FZMZJTMJSA-N 1 3 296.817 3.398 20 0 CGADHO CN1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000651708996 398272505 /nfs/dbraw/zinc/27/25/05/398272505.db2.gz IALANPOBEXBWMF-SMDDNHRTSA-N 1 3 296.817 3.398 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000651706240 398272716 /nfs/dbraw/zinc/27/27/16/398272716.db2.gz XYWBWFFDKBFPIA-CVEARBPZSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000651706240 398272720 /nfs/dbraw/zinc/27/27/20/398272720.db2.gz XYWBWFFDKBFPIA-CVEARBPZSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651706240 398272722 /nfs/dbraw/zinc/27/27/22/398272722.db2.gz XYWBWFFDKBFPIA-CVEARBPZSA-N 1 3 284.488 3.148 20 0 CGADHO c1c2cnccc2oc1CNCCCCC[NH+]1CCCC1 ZINC000651817371 398292462 /nfs/dbraw/zinc/29/24/62/398292462.db2.gz JKLXRUIAEHGSMY-UHFFFAOYSA-N 1 3 287.407 3.184 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000125475685 187186472 /nfs/dbraw/zinc/18/64/72/187186472.db2.gz ZBDZEKCTMLIRNE-ZDUSSCGKSA-N 1 3 274.433 3.285 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000125475685 187186473 /nfs/dbraw/zinc/18/64/73/187186473.db2.gz ZBDZEKCTMLIRNE-ZDUSSCGKSA-N 1 3 274.433 3.285 20 0 CGADHO CC(C)C[N@H+](C)CCCNC[C@H]1CCOc2ccccc21 ZINC000651866170 398298858 /nfs/dbraw/zinc/29/88/58/398298858.db2.gz XMFVLOOCEKRPPQ-MRXNPFEDSA-N 1 3 290.451 3.120 20 0 CGADHO CC(C)C[N@@H+](C)CCCNC[C@H]1CCOc2ccccc21 ZINC000651866170 398298859 /nfs/dbraw/zinc/29/88/59/398298859.db2.gz XMFVLOOCEKRPPQ-MRXNPFEDSA-N 1 3 290.451 3.120 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478455 529453576 /nfs/dbraw/zinc/45/35/76/529453576.db2.gz UPPDCKVPKIVTEL-HKUYNNGSSA-N 1 3 298.430 3.306 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423470300 529453710 /nfs/dbraw/zinc/45/37/10/529453710.db2.gz PDORMWWTWPBIMA-SNPRPXQTSA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473182 529568728 /nfs/dbraw/zinc/56/87/28/529568728.db2.gz QOMGZYXLOOQDLT-ZIAGYGMSSA-N 1 3 252.789 3.118 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423480548 529569190 /nfs/dbraw/zinc/56/91/90/529569190.db2.gz WFAOQTYILNLHSI-HZPDHXFCSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@H]1C[C@H]1C ZINC000423526054 529591552 /nfs/dbraw/zinc/59/15/52/529591552.db2.gz KZGVVHYGIVEASU-RTKXLARDSA-N 1 3 276.468 3.164 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(Br)cc1 ZINC000423276842 529611923 /nfs/dbraw/zinc/61/19/23/529611923.db2.gz OYDUDQRACVGBIO-KGLIPLIRSA-N 1 3 299.256 3.473 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623364508 349790925 /nfs/dbraw/zinc/79/09/25/349790925.db2.gz APYVFBQQDUEKPD-OAGGEKHMSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623364508 349790929 /nfs/dbraw/zinc/79/09/29/349790929.db2.gz APYVFBQQDUEKPD-OAGGEKHMSA-N 1 3 282.472 3.044 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000591582303 346930317 /nfs/dbraw/zinc/93/03/17/346930317.db2.gz FTUKZRUDTMUYKY-YMAMQOFZSA-N 1 3 282.497 3.173 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623408027 349800478 /nfs/dbraw/zinc/80/04/78/349800478.db2.gz FALVJABTNAYLMO-DOTOQJQBSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408027 349800480 /nfs/dbraw/zinc/80/04/80/349800480.db2.gz FALVJABTNAYLMO-DOTOQJQBSA-N 1 3 272.436 3.445 20 0 CGADHO CN1CC[C@@H]([NH2+][C@H]2CSc3ccccc32)CC1(C)C ZINC000623424376 349804666 /nfs/dbraw/zinc/80/46/66/349804666.db2.gz PAGWNGREHCBYBF-OCCSQVGLSA-N 1 3 276.449 3.296 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(CCSc3ccc(Cl)cc3)C[C@H]12 ZINC000351473293 219098688 /nfs/dbraw/zinc/09/86/88/219098688.db2.gz DHAKJGDQBBOPRL-TUKIKUTGSA-N 1 3 296.867 3.101 20 0 CGADHO CO[C@@](C)(CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538700 349829553 /nfs/dbraw/zinc/82/95/53/349829553.db2.gz QSJIIYSPYNBXLE-AEFFLSMTSA-N 1 3 290.451 3.011 20 0 CGADHO CO[C@@](C)(CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538700 349829556 /nfs/dbraw/zinc/82/95/56/349829556.db2.gz QSJIIYSPYNBXLE-AEFFLSMTSA-N 1 3 290.451 3.011 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000623657387 349859656 /nfs/dbraw/zinc/85/96/56/349859656.db2.gz PKAKDCRKNICCFI-YVZNUBBCSA-N 1 3 294.389 3.300 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000623657385 349859770 /nfs/dbraw/zinc/85/97/70/349859770.db2.gz PKAKDCRKNICCFI-SDQPKGBYSA-N 1 3 294.389 3.300 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000128045872 187348400 /nfs/dbraw/zinc/34/84/00/187348400.db2.gz CZAPBSGIJZWERC-NWANDNLSSA-N 1 3 278.465 3.204 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000128045872 187348401 /nfs/dbraw/zinc/34/84/01/187348401.db2.gz CZAPBSGIJZWERC-NWANDNLSSA-N 1 3 278.465 3.204 20 0 CGADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1C ZINC000623655430 349856928 /nfs/dbraw/zinc/85/69/28/349856928.db2.gz XLRLGGLHGFNBDY-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC000423284006 290717586 /nfs/dbraw/zinc/71/75/86/290717586.db2.gz XXBYQZWUHCFBPH-WMLDXEAASA-N 1 3 260.425 3.281 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000423256211 529986240 /nfs/dbraw/zinc/98/62/40/529986240.db2.gz BMOWSLVPQCRJKI-MLGOLLRUSA-N 1 3 280.843 3.106 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423256211 529986241 /nfs/dbraw/zinc/98/62/41/529986241.db2.gz BMOWSLVPQCRJKI-MLGOLLRUSA-N 1 3 280.843 3.106 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](CC(C)C)c1cccs1 ZINC000423271633 529999914 /nfs/dbraw/zinc/99/99/14/529999914.db2.gz JCCBJSDXWNBOKO-QWHCGFSZSA-N 1 3 254.443 3.280 20 0 CGADHO CC[NH+]1CCC(CNCc2ccccc2Cl)CC1 ZINC000044517289 345011513 /nfs/dbraw/zinc/01/15/13/345011513.db2.gz KFPGEKWRZJHHMM-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO CC[NH+]1CCC(CNc2ccnc3ccccc32)CC1 ZINC000044526330 345012016 /nfs/dbraw/zinc/01/20/16/345012016.db2.gz VWQPYBUSXHWQFD-UHFFFAOYSA-N 1 3 269.392 3.379 20 0 CGADHO CCCOc1ccc(CN2CCC(C[NH2+]CC)CC2)cc1 ZINC000066152284 345284401 /nfs/dbraw/zinc/28/44/01/345284401.db2.gz SZZFKZAVLXNPSS-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO C[C@H](c1ccccc1Cl)N1CCC(CC[NH3+])CC1 ZINC000070183682 345388302 /nfs/dbraw/zinc/38/83/02/345388302.db2.gz QWZRXZOUTYNANC-GFCCVEGCSA-N 1 3 266.816 3.462 20 0 CGADHO CCCOc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000070183586 345388964 /nfs/dbraw/zinc/38/89/64/345388964.db2.gz LDEPTSJONPXCBB-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000096543568 232181415 /nfs/dbraw/zinc/18/14/15/232181415.db2.gz XOPGCLPBUWMWML-CQSZACIVSA-N 1 3 278.465 3.401 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000147884730 232201993 /nfs/dbraw/zinc/20/19/93/232201993.db2.gz CNEOCOJWHVMMIL-GDLCADMTSA-N 1 3 252.789 3.261 20 0 CGADHO Cc1cc(NCC[NH+](C)C)c2cc(OC(F)F)ccc2n1 ZINC000090998143 345799913 /nfs/dbraw/zinc/79/99/13/345799913.db2.gz WGQZSZPOTCOSBL-UHFFFAOYSA-N 1 3 295.333 3.118 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)[C@@H]1OC ZINC000092768555 345858020 /nfs/dbraw/zinc/85/80/20/345858020.db2.gz XFMKZIMIBYKDRW-HHARLNAUSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)[C@@H]1OC ZINC000092768555 345858022 /nfs/dbraw/zinc/85/80/22/345858022.db2.gz XFMKZIMIBYKDRW-HHARLNAUSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H](C)[C@@H]1OC ZINC000092768555 345858025 /nfs/dbraw/zinc/85/80/25/345858025.db2.gz XFMKZIMIBYKDRW-HHARLNAUSA-N 1 3 294.483 3.043 20 0 CGADHO CSc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093212218 345872978 /nfs/dbraw/zinc/87/29/78/345872978.db2.gz GGXUGXYDTGTVSD-XBFCOCLRSA-N 1 3 264.438 3.329 20 0 CGADHO CCCOc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000110645433 345946129 /nfs/dbraw/zinc/94/61/29/345946129.db2.gz PSIFPDOSDKHWEF-AWEZNQCLSA-N 1 3 276.424 3.035 20 0 CGADHO C[NH2+]CCCN(C)[C@H](C)c1cccc2ccccc21 ZINC000124752353 346013819 /nfs/dbraw/zinc/01/38/19/346013819.db2.gz WCIXDIZLKAHEAS-CQSZACIVSA-N 1 3 256.393 3.442 20 0 CGADHO CNCCC[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000124752353 346013820 /nfs/dbraw/zinc/01/38/20/346013820.db2.gz WCIXDIZLKAHEAS-CQSZACIVSA-N 1 3 256.393 3.442 20 0 CGADHO CNCCC[N@@H+](C)[C@H](C)c1cccc2ccccc21 ZINC000124752353 346013822 /nfs/dbraw/zinc/01/38/22/346013822.db2.gz WCIXDIZLKAHEAS-CQSZACIVSA-N 1 3 256.393 3.442 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C(C)(C)C ZINC000163325134 346180723 /nfs/dbraw/zinc/18/07/23/346180723.db2.gz ACDZRKYFEROHFU-CYBMUJFWSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250510946 346385942 /nfs/dbraw/zinc/38/59/42/346385942.db2.gz OVQQFLWKHBTETD-OIISXLGYSA-N 1 3 264.457 3.275 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628066 346477709 /nfs/dbraw/zinc/47/77/09/346477709.db2.gz RPNRIBOXIUDIJB-WMZOPIPTSA-N 1 3 272.436 3.358 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000339068106 346500981 /nfs/dbraw/zinc/50/09/81/346500981.db2.gz NXOZHSRVMWUVHN-YHUYYLMFSA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068106 346500986 /nfs/dbraw/zinc/50/09/86/346500986.db2.gz NXOZHSRVMWUVHN-YHUYYLMFSA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068106 346500988 /nfs/dbraw/zinc/50/09/88/346500988.db2.gz NXOZHSRVMWUVHN-YHUYYLMFSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccs1 ZINC000624119389 349975386 /nfs/dbraw/zinc/97/53/86/349975386.db2.gz AMUBOUKHMOFXEC-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO Cc1csc([C@H](C)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)n1 ZINC000584774789 346713229 /nfs/dbraw/zinc/71/32/29/346713229.db2.gz NDBVTVBDRVMGPW-KMUNFCNLSA-N 1 3 287.432 3.289 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000624121849 349979797 /nfs/dbraw/zinc/97/97/97/349979797.db2.gz DVWMHRXGZSUWCA-YVEFUNNKSA-N 1 3 294.389 3.274 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1N(C)C ZINC000624122196 349979965 /nfs/dbraw/zinc/97/99/65/349979965.db2.gz MAZRJTKKQDWAJF-JKSUJKDBSA-N 1 3 289.467 3.135 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000624123170 349983109 /nfs/dbraw/zinc/98/31/09/349983109.db2.gz HBWYPQKZCXNSGD-VQIMIIECSA-N 1 3 286.463 3.256 20 0 CGADHO C[C@@H](F)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014679 219290022 /nfs/dbraw/zinc/29/00/22/219290022.db2.gz NUQFSGUKRJGAAK-NVXWUHKLSA-N 1 3 278.415 3.188 20 0 CGADHO C[C@@H](F)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014679 219290023 /nfs/dbraw/zinc/29/00/23/219290023.db2.gz NUQFSGUKRJGAAK-NVXWUHKLSA-N 1 3 278.415 3.188 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000352024146 219293542 /nfs/dbraw/zinc/29/35/42/219293542.db2.gz DMVMZRPSBWTPBA-OAHLLOKOSA-N 1 3 298.430 3.175 20 0 CGADHO COC1(C[NH2+]Cc2ccc(CN(C)C)cc2)CCCCC1 ZINC000358976867 233230053 /nfs/dbraw/zinc/23/00/53/233230053.db2.gz BDOIIMRUAGEDGZ-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000624308984 350022695 /nfs/dbraw/zinc/02/26/95/350022695.db2.gz AWKCIWYFSFXLTH-UOVPBQLFSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1c[nH+]ccc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000359530146 233329991 /nfs/dbraw/zinc/32/99/91/233329991.db2.gz GMLJXWLIZYNKJM-SFHVURJKSA-N 1 3 295.430 3.491 20 0 CGADHO COC1(C[NH2+]CC[C@@H](C)N2CCCCC2)CCCCC1 ZINC000359673206 233356131 /nfs/dbraw/zinc/35/61/31/233356131.db2.gz IGNYSWUUQDJLCZ-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO COC1(CNCC[C@@H](C)[NH+]2CCCCC2)CCCCC1 ZINC000359673206 233356134 /nfs/dbraw/zinc/35/61/34/233356134.db2.gz IGNYSWUUQDJLCZ-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000628183134 350427064 /nfs/dbraw/zinc/42/70/64/350427064.db2.gz RONCNSXGLCOIRE-RDTXWAMCSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000628183134 350427066 /nfs/dbraw/zinc/42/70/66/350427066.db2.gz RONCNSXGLCOIRE-RDTXWAMCSA-N 1 3 285.435 3.330 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000628278470 350475658 /nfs/dbraw/zinc/47/56/58/350475658.db2.gz RMSAIYUALSWSPR-IAGOWNOFSA-N 1 3 274.452 3.418 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@H]3CCCC34CC4)CC2)ccn1 ZINC000628494013 350560070 /nfs/dbraw/zinc/56/00/70/350560070.db2.gz CFTFNCFHEBYQQA-OAHLLOKOSA-N 1 3 285.435 3.220 20 0 CGADHO Cc1cccc(C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540743 350707377 /nfs/dbraw/zinc/70/73/77/350707377.db2.gz SPBLITMEICDWLS-JLSDUUJJSA-N 1 3 272.436 3.046 20 0 CGADHO C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)C[C@H](C)C1(F)F ZINC000629552264 350712099 /nfs/dbraw/zinc/71/20/99/350712099.db2.gz GLKRTEYKSQEMPL-STQMWFEESA-N 1 3 294.389 3.055 20 0 CGADHO C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)C1(F)F ZINC000629554392 350712341 /nfs/dbraw/zinc/71/23/41/350712341.db2.gz ZUVDSFFCCAEFSR-STQMWFEESA-N 1 3 294.389 3.055 20 0 CGADHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000629571979 350713857 /nfs/dbraw/zinc/71/38/57/350713857.db2.gz LESUMLKQFOVCLY-HNNXBMFYSA-N 1 3 278.440 3.039 20 0 CGADHO Cc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@@H](N)c3ccccc31)CO2 ZINC000629516009 350700029 /nfs/dbraw/zinc/70/00/29/350700029.db2.gz YYMUEVVVADQHQO-MORSLUCNSA-N 1 3 294.398 3.033 20 0 CGADHO CN(C)Cc1ccc(F)c(-c2cccc3c2C[NH2+]CC3)c1 ZINC000629736425 350758129 /nfs/dbraw/zinc/75/81/29/350758129.db2.gz GGBXMSZUNZPIFG-UHFFFAOYSA-N 1 3 284.378 3.200 20 0 CGADHO C[C@@H](CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629662841 350732782 /nfs/dbraw/zinc/73/27/82/350732782.db2.gz DQBFRBNRYVDPSN-RYQLBKOJSA-N 1 3 272.436 3.112 20 0 CGADHO C=Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000291374563 198004284 /nfs/dbraw/zinc/00/42/84/198004284.db2.gz YYUFMFVENFXQOS-ZWKOTPCHSA-N 1 3 270.420 3.089 20 0 CGADHO C=Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000291374563 198004285 /nfs/dbraw/zinc/00/42/85/198004285.db2.gz YYUFMFVENFXQOS-ZWKOTPCHSA-N 1 3 270.420 3.089 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc3cnccc32)C1 ZINC000634733030 351577911 /nfs/dbraw/zinc/57/79/11/351577911.db2.gz VLTWGZCWKGHVBB-INIZCTEOSA-N 1 3 283.419 3.103 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNCC(C)(C)C1)c1ccccc1 ZINC000634734015 351579727 /nfs/dbraw/zinc/57/97/27/351579727.db2.gz URVWBTNPJQBLTM-ZBFHGGJFSA-N 1 3 260.425 3.158 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1nc2cc(F)ccc2o1 ZINC000634983371 351617171 /nfs/dbraw/zinc/61/71/71/351617171.db2.gz LWEYPPFAEYPUNB-UHFFFAOYSA-N 1 3 293.386 3.177 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005990 351623622 /nfs/dbraw/zinc/62/36/22/351623622.db2.gz KOLNUJJSSWVZLO-PBHICJAKSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@H](Cc1ccsc1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635005990 351623624 /nfs/dbraw/zinc/62/36/24/351623624.db2.gz KOLNUJJSSWVZLO-PBHICJAKSA-N 1 3 288.460 3.229 20 0 CGADHO CC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccc1 ZINC000635009500 351627205 /nfs/dbraw/zinc/62/72/05/351627205.db2.gz NTEJPWHDNAXQAW-KRWDZBQOSA-N 1 3 296.418 3.054 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010084 351628121 /nfs/dbraw/zinc/62/81/21/351628121.db2.gz YECJVSLEKFZVLD-PBHICJAKSA-N 1 3 260.425 3.115 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000122059240 187012936 /nfs/dbraw/zinc/01/29/36/187012936.db2.gz VKZNZLYAZJPMSV-HOTGVXAUSA-N 1 3 250.430 3.053 20 0 CGADHO CN(C)Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000122943044 187061408 /nfs/dbraw/zinc/06/14/08/187061408.db2.gz GUONWNZUWLVWOZ-HNNXBMFYSA-N 1 3 258.409 3.194 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2=CCN(C)CC2)cc1 ZINC000366690443 234184234 /nfs/dbraw/zinc/18/42/34/234184234.db2.gz AMJIZGFDXSHNMD-RBUKOAKNSA-N 1 3 284.447 3.483 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1F ZINC000152437748 188018125 /nfs/dbraw/zinc/01/81/25/188018125.db2.gz VMMJQDNUKJNBQX-SJCJKPOMSA-N 1 3 294.389 3.490 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000158653512 188387057 /nfs/dbraw/zinc/38/70/57/188387057.db2.gz PUHOHMALWHEWTP-HOTGVXAUSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000158653512 188387058 /nfs/dbraw/zinc/38/70/58/188387058.db2.gz PUHOHMALWHEWTP-HOTGVXAUSA-N 1 3 275.440 3.387 20 0 CGADHO Fc1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000298062580 283005485 /nfs/dbraw/zinc/00/54/85/283005485.db2.gz KFBLNEANSYKQFV-GOSISDBHSA-N 1 3 288.410 3.420 20 0 CGADHO COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000414055245 235324614 /nfs/dbraw/zinc/32/46/14/235324614.db2.gz CIQIJXDFPYHXAO-GJZGRUSLSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000414055245 235324615 /nfs/dbraw/zinc/32/46/15/235324615.db2.gz CIQIJXDFPYHXAO-GJZGRUSLSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097655 235334854 /nfs/dbraw/zinc/33/48/54/235334854.db2.gz IJZZSXPXEQDEMJ-KKUMJFAQSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097655 235334855 /nfs/dbraw/zinc/33/48/55/235334855.db2.gz IJZZSXPXEQDEMJ-KKUMJFAQSA-N 1 3 276.424 3.137 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176071 235354382 /nfs/dbraw/zinc/35/43/82/235354382.db2.gz HJCSRQIQLKGCIZ-UUIJZJDISA-N 1 3 296.817 3.407 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176071 235354385 /nfs/dbraw/zinc/35/43/85/235354385.db2.gz HJCSRQIQLKGCIZ-UUIJZJDISA-N 1 3 296.817 3.407 20 0 CGADHO Cc1cc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)c(C)o1 ZINC000414176010 235354509 /nfs/dbraw/zinc/35/45/09/235354509.db2.gz IUTSQUAMPHBAEQ-DZGCQCFKSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176010 235354511 /nfs/dbraw/zinc/35/45/11/235354511.db2.gz IUTSQUAMPHBAEQ-DZGCQCFKSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1F ZINC000414201329 235362784 /nfs/dbraw/zinc/36/27/84/235362784.db2.gz YAJTXVOEEZYJKF-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201329 235362786 /nfs/dbraw/zinc/36/27/86/235362786.db2.gz YAJTXVOEEZYJKF-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000414836175 235477811 /nfs/dbraw/zinc/47/78/11/235477811.db2.gz FLXNQRQFNWBACF-UAGQMJEPSA-N 1 3 272.436 3.430 20 0 CGADHO Cc1cc(C)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040579 235516440 /nfs/dbraw/zinc/51/64/40/235516440.db2.gz KGQQIHGDVZIGAT-QZTJIDSGSA-N 1 3 272.436 3.267 20 0 CGADHO c1ccc([C@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415063622 235522548 /nfs/dbraw/zinc/52/25/48/235522548.db2.gz AQHLYSYMBOFKPQ-IAGOWNOFSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093489783 138346944 /nfs/dbraw/zinc/34/69/44/138346944.db2.gz ILZWJSLGWARQDI-FGTMMUONSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000110644839 138363460 /nfs/dbraw/zinc/36/34/60/138363460.db2.gz MKLFZKYJWFZUOS-QWRGUYRKSA-N 1 3 268.351 3.085 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC000111695554 138364708 /nfs/dbraw/zinc/36/47/08/138364708.db2.gz GCXHJOFCKBBYAK-ZBFHGGJFSA-N 1 3 268.404 3.399 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000340526706 215621722 /nfs/dbraw/zinc/62/17/22/215621722.db2.gz QRLUGMSASHOZIE-RRQGHBQHSA-N 1 3 294.414 3.168 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCCOc1ccc2ccccc2c1 ZINC000422884917 235936604 /nfs/dbraw/zinc/93/66/04/235936604.db2.gz FXXQKDLQPSGOPJ-GJZGRUSLSA-N 1 3 286.419 3.324 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422884917 235936607 /nfs/dbraw/zinc/93/66/07/235936607.db2.gz FXXQKDLQPSGOPJ-GJZGRUSLSA-N 1 3 286.419 3.324 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423025682 235958454 /nfs/dbraw/zinc/95/84/54/235958454.db2.gz OZOSFMWFCJMTNU-CJNGLKHVSA-N 1 3 292.854 3.479 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423223401 236001167 /nfs/dbraw/zinc/00/11/67/236001167.db2.gz GJPGZZYEIXZATD-KBPBESRZSA-N 1 3 269.392 3.137 20 0 CGADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423246046 236008208 /nfs/dbraw/zinc/00/82/08/236008208.db2.gz JRVNQHAWYQCBLC-NEPJUHHUSA-N 1 3 297.240 3.099 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)N)c2ccccc12 ZINC000423286969 236024416 /nfs/dbraw/zinc/02/44/16/236024416.db2.gz JSNZVHIPGBKTOY-GFCCVEGCSA-N 1 3 272.392 3.236 20 0 CGADHO COc1ccc([C@@H](CCC(C)C)[NH2+]CC(C)(C)N)cc1 ZINC000423288104 236025842 /nfs/dbraw/zinc/02/58/42/236025842.db2.gz QNWHTPJHJPKOSS-MRXNPFEDSA-N 1 3 278.440 3.499 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(O)c2)cc1 ZINC000423293400 236027458 /nfs/dbraw/zinc/02/74/58/236027458.db2.gz RGCFGCIMWRKILJ-STQMWFEESA-N 1 3 270.376 3.263 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1N(C)C ZINC000423265946 236014535 /nfs/dbraw/zinc/01/45/35/236014535.db2.gz BLJXNVGCCXLECX-ZENOOKHLSA-N 1 3 293.430 3.060 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423327685 236039827 /nfs/dbraw/zinc/03/98/27/236039827.db2.gz DEQPVEQPUTUFDP-RTBURBONSA-N 1 3 286.463 3.295 20 0 CGADHO C[C@@]1(CN[C@H](c2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423350297 236047467 /nfs/dbraw/zinc/04/74/67/236047467.db2.gz XGJUVMQZSZJRIX-IAGOWNOFSA-N 1 3 258.409 3.117 20 0 CGADHO C[C@@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CCCNC1 ZINC000423350297 236047469 /nfs/dbraw/zinc/04/74/69/236047469.db2.gz XGJUVMQZSZJRIX-IAGOWNOFSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423354484 236048185 /nfs/dbraw/zinc/04/81/85/236048185.db2.gz GHIHFXKOIRFWFW-BRWVUGGUSA-N 1 3 287.451 3.148 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000423377687 236054987 /nfs/dbraw/zinc/05/49/87/236054987.db2.gz WCUCCSQRGWGVHC-VVLHAWIVSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423407137 236066675 /nfs/dbraw/zinc/06/66/75/236066675.db2.gz VJZXUUMBPFOQQK-OAUYIBNBSA-N 1 3 292.854 3.249 20 0 CGADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cccc(F)c1F ZINC000423476614 236080652 /nfs/dbraw/zinc/08/06/52/236080652.db2.gz JCCUPNFVCIXFOD-NWDGAFQWSA-N 1 3 268.351 3.148 20 0 CGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000423499266 236087274 /nfs/dbraw/zinc/08/72/74/236087274.db2.gz JGZFKLLLDNXISE-RHSMWYFYSA-N 1 3 269.392 3.212 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423502902 236088715 /nfs/dbraw/zinc/08/87/15/236088715.db2.gz FNNDHDGBTJHOGS-MSOLQXFVSA-N 1 3 288.435 3.180 20 0 CGADHO Cc1ccc([C@@H](NCCC[NH2+]C2CC2)C2CC2)cc1 ZINC000423550359 236097264 /nfs/dbraw/zinc/09/72/64/236097264.db2.gz IGRWGIWTRUMWAL-QGZVFWFLSA-N 1 3 258.409 3.178 20 0 CGADHO Cc1ccc([C@@H]([NH2+]CCCNC2CC2)C2CC2)cc1 ZINC000423550359 236097265 /nfs/dbraw/zinc/09/72/65/236097265.db2.gz IGRWGIWTRUMWAL-QGZVFWFLSA-N 1 3 258.409 3.178 20 0 CGADHO c1ccc([C@H]2CC[C@@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000423561115 236099227 /nfs/dbraw/zinc/09/92/27/236099227.db2.gz PTJUBZBYXSVIDW-DOTOQJQBSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H]1[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1c1ccccc1 ZINC000424366786 236156971 /nfs/dbraw/zinc/15/69/71/236156971.db2.gz JQCUNAMAHBJHNU-RDDKANTKSA-N 1 3 258.409 3.038 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1Cl ZINC000424365931 236157385 /nfs/dbraw/zinc/15/73/85/236157385.db2.gz HZOJZWNCCUSFQW-ZIAGYGMSSA-N 1 3 252.789 3.008 20 0 CGADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccsc1 ZINC000294411934 199030279 /nfs/dbraw/zinc/03/02/79/199030279.db2.gz MXNFVOJAYHZDBB-CQSZACIVSA-N 1 3 252.427 3.273 20 0 CGADHO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000177603018 189059503 /nfs/dbraw/zinc/05/95/03/189059503.db2.gz AIOVGIMULXIXBF-IMJJTQAJSA-N 1 3 276.424 3.219 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)(C)c1ccccc1 ZINC000423330419 299312229 /nfs/dbraw/zinc/31/22/29/299312229.db2.gz NRTZQOWBKRDSJX-YJBOKZPZSA-N 1 3 274.452 3.332 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc2ccccc2c1 ZINC000422938661 296020911 /nfs/dbraw/zinc/02/09/11/296020911.db2.gz DVNVRRZNLHVVCT-KGLIPLIRSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000422938661 296020914 /nfs/dbraw/zinc/02/09/14/296020914.db2.gz DVNVRRZNLHVVCT-KGLIPLIRSA-N 1 3 256.393 3.098 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180757897 189273787 /nfs/dbraw/zinc/27/37/87/189273787.db2.gz BWVGSZDCCRRUEP-HOTGVXAUSA-N 1 3 290.451 3.261 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180757897 189273788 /nfs/dbraw/zinc/27/37/88/189273788.db2.gz BWVGSZDCCRRUEP-HOTGVXAUSA-N 1 3 290.451 3.261 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241400 189291859 /nfs/dbraw/zinc/29/18/59/189291859.db2.gz ZRMXOJFHEYAFHJ-BRWVUGGUSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241400 189291860 /nfs/dbraw/zinc/29/18/60/189291860.db2.gz ZRMXOJFHEYAFHJ-BRWVUGGUSA-N 1 3 290.451 3.225 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000120558596 370779424 /nfs/dbraw/zinc/77/94/24/370779424.db2.gz COGSYQCGEFQBHU-YCPHGPKFSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000120558596 370779429 /nfs/dbraw/zinc/77/94/29/370779429.db2.gz COGSYQCGEFQBHU-YCPHGPKFSA-N 1 3 276.424 3.219 20 0 CGADHO Clc1ccc([C@H]2CC[C@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335617766 212330624 /nfs/dbraw/zinc/33/06/24/212330624.db2.gz ZQBGIZBAPFEVHD-BBRMVZONSA-N 1 3 278.827 3.318 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1nccc2ccccc21 ZINC000423283393 299367068 /nfs/dbraw/zinc/36/70/68/299367068.db2.gz VZLSXJAJECYTTI-YSVLISHTSA-N 1 3 283.419 3.403 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462481324 242347025 /nfs/dbraw/zinc/34/70/25/242347025.db2.gz RSMMCKVLHJJRSF-HUUCEWRRSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462481324 242347029 /nfs/dbraw/zinc/34/70/29/242347029.db2.gz RSMMCKVLHJJRSF-HUUCEWRRSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1cc(N2CCC(C[NH+](C)C)CC2)c2ccccc2n1 ZINC000462775150 242360941 /nfs/dbraw/zinc/36/09/41/242360941.db2.gz KVYFYZHPIQFELR-UHFFFAOYSA-N 1 3 283.419 3.321 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000147885041 299381943 /nfs/dbraw/zinc/38/19/43/299381943.db2.gz GZGHZBMLUOVNFM-VHRBIJSZSA-N 1 3 252.789 3.118 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccc(Br)c1 ZINC000148048655 299382027 /nfs/dbraw/zinc/38/20/27/299382027.db2.gz VWWOSHMUZRDNEB-VHRBIJSZSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1ccncc1Cl ZINC000421878705 296114083 /nfs/dbraw/zinc/11/40/83/296114083.db2.gz NTXWIWCEDHVZPC-PNESKVBLSA-N 1 3 281.831 3.258 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000449438196 296115218 /nfs/dbraw/zinc/11/52/18/296115218.db2.gz BNPXGKITCCZSGD-CKEIUWERSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](NCC1(c2cccc(F)c2)CCCCC1)C1C[NH2+]C1 ZINC000422900625 296120395 /nfs/dbraw/zinc/12/03/95/296120395.db2.gz JTWBIAPDSWLXMG-CQSZACIVSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCCCC1)C1CNC1 ZINC000422900625 296120396 /nfs/dbraw/zinc/12/03/96/296120396.db2.gz JTWBIAPDSWLXMG-CQSZACIVSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)cc1 ZINC000019905785 368778546 /nfs/dbraw/zinc/77/85/46/368778546.db2.gz BZNOSZPQZHRYMT-GFCCVEGCSA-N 1 3 252.377 3.064 20 0 CGADHO Cc1ccccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000034958907 368982148 /nfs/dbraw/zinc/98/21/48/368982148.db2.gz YHHWHCDHNCEDAZ-WZYMTQMTSA-N 1 3 258.409 3.271 20 0 CGADHO Cc1ccccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000034958907 368982157 /nfs/dbraw/zinc/98/21/57/368982157.db2.gz YHHWHCDHNCEDAZ-WZYMTQMTSA-N 1 3 258.409 3.271 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000037644388 369094544 /nfs/dbraw/zinc/09/45/44/369094544.db2.gz STHVYVSDQGZBRY-GTPINHCMSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037649526 369098364 /nfs/dbraw/zinc/09/83/64/369098364.db2.gz YOULCIPDELZFLV-OLZOCXBDSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649526 369098367 /nfs/dbraw/zinc/09/83/67/369098367.db2.gz YOULCIPDELZFLV-OLZOCXBDSA-N 1 3 264.438 3.191 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423218765 296133387 /nfs/dbraw/zinc/13/33/87/296133387.db2.gz VZXNFEOFHGWPEM-KBHBFKLGSA-N 1 3 292.389 3.333 20 0 CGADHO CCOc1ccccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197674 369643093 /nfs/dbraw/zinc/64/30/93/369643093.db2.gz XWWXUKGSVYDHHS-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H](c1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198145 369643768 /nfs/dbraw/zinc/64/37/68/369643768.db2.gz MNAXTIVILWEYGT-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO CCOc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197678 369643797 /nfs/dbraw/zinc/64/37/97/369643797.db2.gz PRDKZBXQBFJKDF-GOSISDBHSA-N 1 3 288.435 3.049 20 0 CGADHO c1ccc2c(c1)nccc2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201390 369645122 /nfs/dbraw/zinc/64/51/22/369645122.db2.gz WNRBZRCXLBTKRR-INIZCTEOSA-N 1 3 281.403 3.203 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000070189011 369787535 /nfs/dbraw/zinc/78/75/35/369787535.db2.gz QIJHLUCHXYBQOW-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C/c2ccccc2)CC1 ZINC000070189808 369789603 /nfs/dbraw/zinc/78/96/03/369789603.db2.gz ORIPWRBBJPWTJZ-VMPITWQZSA-N 1 3 258.409 3.021 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CCCc2ccccc2)C1 ZINC000076002075 369924948 /nfs/dbraw/zinc/92/49/48/369924948.db2.gz BPHKUIMRYWGDHH-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000076002075 369924951 /nfs/dbraw/zinc/92/49/51/369924951.db2.gz BPHKUIMRYWGDHH-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000076002075 369924954 /nfs/dbraw/zinc/92/49/54/369924954.db2.gz BPHKUIMRYWGDHH-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCCc2ccc(Cl)cc21)[C@H](C)N ZINC000423435912 296155680 /nfs/dbraw/zinc/15/56/80/296155680.db2.gz DUPVZPNNHCSEHL-FIXISWKDSA-N 1 3 266.816 3.433 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376260 296156608 /nfs/dbraw/zinc/15/66/08/296156608.db2.gz LAPVGZRRLCQOLZ-IIAWOOMASA-N 1 3 260.425 3.083 20 0 CGADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376260 296156609 /nfs/dbraw/zinc/15/66/09/296156609.db2.gz LAPVGZRRLCQOLZ-IIAWOOMASA-N 1 3 260.425 3.083 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512004147 245014635 /nfs/dbraw/zinc/01/46/35/245014635.db2.gz ADVYMOYGWXQEOR-DPOFCPOHSA-N 1 3 294.389 3.440 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513387 370476018 /nfs/dbraw/zinc/47/60/18/370476018.db2.gz JJVATWHOYMIZDW-CYBMUJFWSA-N 1 3 286.341 3.089 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113513387 370476020 /nfs/dbraw/zinc/47/60/20/370476020.db2.gz JJVATWHOYMIZDW-CYBMUJFWSA-N 1 3 286.341 3.089 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000113515233 370476337 /nfs/dbraw/zinc/47/63/37/370476337.db2.gz SXQVSTSBJVMJEW-HNNXBMFYSA-N 1 3 268.404 3.223 20 0 CGADHO Cc1oc2ccccc2c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130584197 371043844 /nfs/dbraw/zinc/04/38/44/371043844.db2.gz SPBICJDPSXDMIG-XKQJLSEDSA-N 1 3 284.403 3.300 20 0 CGADHO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000150975465 371553407 /nfs/dbraw/zinc/55/34/07/371553407.db2.gz PDISZRWGXCTFJT-KGLIPLIRSA-N 1 3 296.480 3.029 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)cc2)C1 ZINC000151138227 371573270 /nfs/dbraw/zinc/57/32/70/371573270.db2.gz VPSADLOLGMOEKZ-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)cc2)C1 ZINC000151138227 371573277 /nfs/dbraw/zinc/57/32/77/371573277.db2.gz VPSADLOLGMOEKZ-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000151138227 371573287 /nfs/dbraw/zinc/57/32/87/371573287.db2.gz VPSADLOLGMOEKZ-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO COC1([C@@H](C)NC2CC([NH+]3CCCCC3)C2)CCCCC1 ZINC000421862872 371685004 /nfs/dbraw/zinc/68/50/04/371685004.db2.gz XVDXTLHVWQMLNG-KLAILNCOSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H](N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422559974 371749972 /nfs/dbraw/zinc/74/99/72/371749972.db2.gz FLWSQYOTXXOZPH-MSOLQXFVSA-N 1 3 284.447 3.325 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc2c1C ZINC000422699179 371757610 /nfs/dbraw/zinc/75/76/10/371757610.db2.gz AHZRMPKWOCEFSY-QWRGUYRKSA-N 1 3 259.397 3.000 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000422716581 371765587 /nfs/dbraw/zinc/76/55/87/371765587.db2.gz ULCWPQNSBPEENI-CXAGYDPISA-N 1 3 287.382 3.027 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422720498 371767839 /nfs/dbraw/zinc/76/78/39/371767839.db2.gz SMNPVDXRKKPEBP-BFYDXBDKSA-N 1 3 260.425 3.158 20 0 CGADHO Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCCC[C@H]3CN)c21 ZINC000422722473 371768411 /nfs/dbraw/zinc/76/84/11/371768411.db2.gz XYYNBDYEZWBDLU-HOCLYGCPSA-N 1 3 285.435 3.126 20 0 CGADHO C[C@@H](N[C@@H](C)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000422765056 371792654 /nfs/dbraw/zinc/79/26/54/371792654.db2.gz QAXDOPINBDUTNW-QWHCGFSZSA-N 1 3 254.377 3.098 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)c1cccc2ccccc21 ZINC000422765056 371792660 /nfs/dbraw/zinc/79/26/60/371792660.db2.gz QAXDOPINBDUTNW-QWHCGFSZSA-N 1 3 254.377 3.098 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccc(F)cc1Cl ZINC000422727353 371771005 /nfs/dbraw/zinc/77/10/05/371771005.db2.gz HGNLJTMBDAWERS-NHYWBVRUSA-N 1 3 298.833 3.474 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCc2ccccc21 ZINC000422732865 371773213 /nfs/dbraw/zinc/77/32/13/371773213.db2.gz PQEBVLWLIVJZPL-COXVUDFISA-N 1 3 258.409 3.042 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(Cl)cc1 ZINC000422736707 371774418 /nfs/dbraw/zinc/77/44/18/371774418.db2.gz YPYRJIUBZMVXPL-CABCVRRESA-N 1 3 266.816 3.132 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCCCC1 ZINC000422746820 371781735 /nfs/dbraw/zinc/78/17/35/371781735.db2.gz OJTKCVMGKRERTR-LBPRGKRZSA-N 1 3 261.413 3.080 20 0 CGADHO c1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422748996 371782082 /nfs/dbraw/zinc/78/20/82/371782082.db2.gz WZEWWBKPEBGOAD-MSOLQXFVSA-N 1 3 266.388 3.270 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422748574 371782573 /nfs/dbraw/zinc/78/25/73/371782573.db2.gz VDZDBRPYHJQHCR-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)c1 ZINC000422748574 371782582 /nfs/dbraw/zinc/78/25/82/371782582.db2.gz VDZDBRPYHJQHCR-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772415 371797301 /nfs/dbraw/zinc/79/73/01/371797301.db2.gz YIMVZCZFVDEBDK-UONOGXRCSA-N 1 3 286.341 3.455 20 0 CGADHO Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422778980 371801242 /nfs/dbraw/zinc/80/12/42/371801242.db2.gz BISBZLPMHUHLDK-MDASCCDHSA-N 1 3 296.414 3.497 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Sc1ccccc1 ZINC000422788871 371808220 /nfs/dbraw/zinc/80/82/20/371808220.db2.gz NTJGKHYEWXXBCM-LZWOXQAQSA-N 1 3 278.465 3.145 20 0 CGADHO C(CCC1CCCC1)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422797676 371816756 /nfs/dbraw/zinc/81/67/56/371816756.db2.gz NYULKGWUHXQKML-OKZBNKHCSA-N 1 3 294.483 3.094 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])Cc1cccc(Cl)c1 ZINC000422873061 371848808 /nfs/dbraw/zinc/84/88/08/371848808.db2.gz JQODXWYMQPUVDW-CABCVRRESA-N 1 3 280.843 3.378 20 0 CGADHO COc1cccc(C2(C[NH2+][C@H](C)C[C@@H](C)N)CCCC2)c1 ZINC000422887191 371855702 /nfs/dbraw/zinc/85/57/02/371855702.db2.gz KILGPYCVPGZMIY-HUUCEWRRSA-N 1 3 290.451 3.222 20 0 CGADHO COc1cccc(C2(CN[C@H](C)C[C@@H](C)[NH3+])CCCC2)c1 ZINC000422887191 371855705 /nfs/dbraw/zinc/85/57/05/371855705.db2.gz KILGPYCVPGZMIY-HUUCEWRRSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897201 371859105 /nfs/dbraw/zinc/85/91/05/371859105.db2.gz BMCHJTAYDJZNNE-PXAZEXFGSA-N 1 3 290.357 3.013 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000422915321 371865392 /nfs/dbraw/zinc/86/53/92/371865392.db2.gz ATXNPNPPJCFTJV-XUWVNRHRSA-N 1 3 250.430 3.062 20 0 CGADHO CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1cccc(Cl)c1 ZINC000422921092 371870320 /nfs/dbraw/zinc/87/03/20/371870320.db2.gz OUKGXONPMVKYES-OWCLPIDISA-N 1 3 296.842 3.277 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1c(F)cccc1OC(F)F ZINC000422922272 371871807 /nfs/dbraw/zinc/87/18/07/371871807.db2.gz SLIUGFRKNBEMGL-SNVBAGLBSA-N 1 3 290.329 3.034 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1c(F)cccc1Cl ZINC000422924470 371873473 /nfs/dbraw/zinc/87/34/73/371873473.db2.gz YMEANDMCFUTWGL-RISCZKNCSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]1C[NH3+])c1c(F)cccc1Cl ZINC000422924470 371873478 /nfs/dbraw/zinc/87/34/78/371873478.db2.gz YMEANDMCFUTWGL-RISCZKNCSA-N 1 3 298.833 3.474 20 0 CGADHO Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422933062 371878149 /nfs/dbraw/zinc/87/81/49/371878149.db2.gz BDWPPAHJKHRNIZ-MSOLQXFVSA-N 1 3 296.414 3.417 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422941399 371883519 /nfs/dbraw/zinc/88/35/19/371883519.db2.gz HZELNGMNYXZBPB-KXBFYZLASA-N 1 3 282.431 3.360 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccc2ccccc2c1 ZINC000422941399 371883523 /nfs/dbraw/zinc/88/35/23/371883523.db2.gz HZELNGMNYXZBPB-KXBFYZLASA-N 1 3 282.431 3.360 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423053058 371935519 /nfs/dbraw/zinc/93/55/19/371935519.db2.gz RYEGACUHDFUCJL-CXAGYDPISA-N 1 3 286.419 3.261 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423053058 371935521 /nfs/dbraw/zinc/93/55/21/371935521.db2.gz RYEGACUHDFUCJL-CXAGYDPISA-N 1 3 286.419 3.261 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000423053021 371935587 /nfs/dbraw/zinc/93/55/87/371935587.db2.gz RUGKMPWIUJPTBA-BBRMVZONSA-N 1 3 272.392 3.001 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCc2sccc21 ZINC000423052765 371935623 /nfs/dbraw/zinc/93/56/23/371935623.db2.gz RDXINMSBBKBILU-XBFCOCLRSA-N 1 3 264.438 3.103 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423053307 371938153 /nfs/dbraw/zinc/93/81/53/371938153.db2.gz AINCZFPGHHRFMG-BVBHFADKSA-N 1 3 286.463 3.376 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423053310 371938326 /nfs/dbraw/zinc/93/83/26/371938326.db2.gz AINCZFPGHHRFMG-LULLPPNCSA-N 1 3 286.463 3.376 20 0 CGADHO CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423060478 371939581 /nfs/dbraw/zinc/93/95/81/371939581.db2.gz OMUNGDWXDPEAGX-IAGOWNOFSA-N 1 3 289.467 3.281 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422966564 371895042 /nfs/dbraw/zinc/89/50/42/371895042.db2.gz NTAWFCVXYFSHKW-CPLYBDICSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@H](C)C[C@H](C)[NH3+] ZINC000422997398 371908819 /nfs/dbraw/zinc/90/88/19/371908819.db2.gz OAUHPQQUNLKWDN-UIBIWLFHSA-N 1 3 290.451 3.400 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423000618 371910467 /nfs/dbraw/zinc/91/04/67/371910467.db2.gz GUHKPIBTIWQGCH-UKRRQHHQSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)CSCCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423014475 371916454 /nfs/dbraw/zinc/91/64/54/371916454.db2.gz PEZXLYXBDBHKLJ-DOTOQJQBSA-N 1 3 294.508 3.314 20 0 CGADHO CCCC[C@H](C)NCc1ccncc1OCCC[NH+](C)C ZINC000290329721 371964145 /nfs/dbraw/zinc/96/41/45/371964145.db2.gz OUAIBUBTRDFUEU-HNNXBMFYSA-N 1 3 293.455 3.080 20 0 CGADHO CSCc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423108333 371969364 /nfs/dbraw/zinc/96/93/64/371969364.db2.gz LXEBGUQFGXQMRV-CZUORRHYSA-N 1 3 278.465 3.027 20 0 CGADHO CC1(C)CCc2ccccc2[C@H](NC2CC[NH2+]CC2)C1 ZINC000423106341 371969437 /nfs/dbraw/zinc/96/94/37/371969437.db2.gz RKCHFQSWBLZTPU-QGZVFWFLSA-N 1 3 272.436 3.432 20 0 CGADHO CC1(C)CCc2ccccc2[C@H]([NH2+]C2CCNCC2)C1 ZINC000423106341 371969439 /nfs/dbraw/zinc/96/94/39/371969439.db2.gz RKCHFQSWBLZTPU-QGZVFWFLSA-N 1 3 272.436 3.432 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000423115107 371973880 /nfs/dbraw/zinc/97/38/80/371973880.db2.gz MSRWZFAPAOUXQH-NSHDSACASA-N 1 3 297.393 3.325 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423125317 371978941 /nfs/dbraw/zinc/97/89/41/371978941.db2.gz QIYCPLNAPXMRNZ-BSDSXHPESA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1COc2ccccc21 ZINC000423125508 371979069 /nfs/dbraw/zinc/97/90/69/371979069.db2.gz QTNXTZPWTLQXPX-BZUAXINKSA-N 1 3 288.435 3.063 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423127639 371980670 /nfs/dbraw/zinc/98/06/70/371980670.db2.gz JUPOYPBCAKOZAD-NXNVCVFFSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(C(C)(C)C)C1 ZINC000423132039 371982633 /nfs/dbraw/zinc/98/26/33/371982633.db2.gz ISYBCFIDNIDKOF-LHUBUQBQSA-N 1 3 274.452 3.359 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423135474 371985032 /nfs/dbraw/zinc/98/50/32/371985032.db2.gz YFMIJKOFBXQSRO-LPWJVIDDSA-N 1 3 278.362 3.072 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423142604 371988068 /nfs/dbraw/zinc/98/80/68/371988068.db2.gz ARMGDNHSQDCQLK-LWWSYDQCSA-N 1 3 264.800 3.055 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454541 371991879 /nfs/dbraw/zinc/99/18/79/371991879.db2.gz MMNCFCUARGXXJF-NVXWUHKLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454541 371991884 /nfs/dbraw/zinc/99/18/84/371991884.db2.gz MMNCFCUARGXXJF-NVXWUHKLSA-N 1 3 283.419 3.084 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC1=CCCCC1 ZINC000423149549 371992411 /nfs/dbraw/zinc/99/24/11/371992411.db2.gz XSWBGFCECVCWIZ-IEBWSBKVSA-N 1 3 298.430 3.332 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423166403 371998119 /nfs/dbraw/zinc/99/81/19/371998119.db2.gz CNECVHYJJMDFQW-BSTOTGJRSA-N 1 3 270.779 3.050 20 0 CGADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000423068718 371945743 /nfs/dbraw/zinc/94/57/43/371945743.db2.gz KTZMQQSRIUDSHH-NHHFINERSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1ccc(C2(CN[C@H](C)[C@@H]3CC[NH2+]C3)CCC2)cc1C ZINC000423081259 371952598 /nfs/dbraw/zinc/95/25/98/371952598.db2.gz CKRVQDQJJVLADU-IAGOWNOFSA-N 1 3 286.463 3.313 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423193761 372018811 /nfs/dbraw/zinc/01/88/11/372018811.db2.gz WFFGJZRPYKGVHB-DOMZBBRYSA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423193761 372018815 /nfs/dbraw/zinc/01/88/15/372018815.db2.gz WFFGJZRPYKGVHB-DOMZBBRYSA-N 1 3 294.389 3.104 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423196389 372020803 /nfs/dbraw/zinc/02/08/03/372020803.db2.gz VDCKMQIOHZWVKO-ZFWWWQNUSA-N 1 3 266.816 3.305 20 0 CGADHO C[NH2+]CCCN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423197946 372021581 /nfs/dbraw/zinc/02/15/81/372021581.db2.gz CCLNFOYLIMTVMR-OUAUKWLOSA-N 1 3 272.845 3.093 20 0 CGADHO CNCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423197946 372021587 /nfs/dbraw/zinc/02/15/87/372021587.db2.gz CCLNFOYLIMTVMR-OUAUKWLOSA-N 1 3 272.845 3.093 20 0 CGADHO COc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423205282 372027848 /nfs/dbraw/zinc/02/78/48/372027848.db2.gz FCVRHTJETSZMRP-CABCVRRESA-N 1 3 298.430 3.499 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCNC2)c2ccccc12 ZINC000423205282 372027856 /nfs/dbraw/zinc/02/78/56/372027856.db2.gz FCVRHTJETSZMRP-CABCVRRESA-N 1 3 298.430 3.499 20 0 CGADHO CCc1ccc([C@@H](CC)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423214524 372033946 /nfs/dbraw/zinc/03/39/46/372033946.db2.gz PAWVGXQHNJKHHT-NVXWUHKLSA-N 1 3 260.425 3.289 20 0 CGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000423214524 372033951 /nfs/dbraw/zinc/03/39/51/372033951.db2.gz PAWVGXQHNJKHHT-NVXWUHKLSA-N 1 3 260.425 3.289 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423303734 372049955 /nfs/dbraw/zinc/04/99/55/372049955.db2.gz XILZXNRVLJTJFP-PRHODGIISA-N 1 3 273.207 3.165 20 0 CGADHO CC1(C)CC[C@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423343113 372053698 /nfs/dbraw/zinc/05/36/98/372053698.db2.gz ZEEANNHAWMNNJT-HNNXBMFYSA-N 1 3 258.409 3.270 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000423182166 372010746 /nfs/dbraw/zinc/01/07/46/372010746.db2.gz PYDRJNLKYWPSOH-CQSZACIVSA-N 1 3 264.413 3.111 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423456913 372065171 /nfs/dbraw/zinc/06/51/71/372065171.db2.gz DXARJNYVXVXBBU-HOCLYGCPSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H]([NH3+])[C@H](C)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423449749 372065374 /nfs/dbraw/zinc/06/53/74/372065374.db2.gz RZNKNGQEJZYRIH-KKUMJFAQSA-N 1 3 260.425 3.212 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000424298345 372081978 /nfs/dbraw/zinc/08/19/78/372081978.db2.gz ULXXYORGDRFYLS-BZUAXINKSA-N 1 3 262.372 3.063 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252223 217119353 /nfs/dbraw/zinc/11/93/53/217119353.db2.gz BASQPKBRPDNUGO-HNAYVOBHSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000344252223 217119356 /nfs/dbraw/zinc/11/93/56/217119356.db2.gz BASQPKBRPDNUGO-HNAYVOBHSA-N 1 3 295.430 3.178 20 0 CGADHO CCCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292879021 372236169 /nfs/dbraw/zinc/23/61/69/372236169.db2.gz XISVGPXHIYQHDD-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO CCCOc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292879021 372236171 /nfs/dbraw/zinc/23/61/71/372236171.db2.gz XISVGPXHIYQHDD-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000293341509 372359113 /nfs/dbraw/zinc/35/91/13/372359113.db2.gz GOOOOFPHBWKGSI-OLZOCXBDSA-N 1 3 266.454 3.257 20 0 CGADHO C[C@@H]([NH3+])C1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000430934666 372406661 /nfs/dbraw/zinc/40/66/61/372406661.db2.gz QGBYLZZYGVVNRC-LLVKDONJSA-N 1 3 284.806 3.081 20 0 CGADHO CCCC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162857115 372428919 /nfs/dbraw/zinc/42/89/19/372428919.db2.gz SMOHHQODRKQEIR-HRCADAONSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163194739 372452986 /nfs/dbraw/zinc/45/29/86/372452986.db2.gz ZPYWBCFGIIIWJR-DZGCQCFKSA-N 1 3 260.425 3.153 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000163604248 372482754 /nfs/dbraw/zinc/48/27/54/372482754.db2.gz SSXCQMKPBNBIBT-MLHJIOFPSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000163604248 372482763 /nfs/dbraw/zinc/48/27/63/372482763.db2.gz SSXCQMKPBNBIBT-MLHJIOFPSA-N 1 3 270.420 3.007 20 0 CGADHO CC[C@@H](C)[C@](C)(O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000163785293 372491366 /nfs/dbraw/zinc/49/13/66/372491366.db2.gz AVFQOIKLTPNNAZ-CRAIPNDOSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H](C)[C@](C)(O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000163785293 372491367 /nfs/dbraw/zinc/49/13/67/372491367.db2.gz AVFQOIKLTPNNAZ-CRAIPNDOSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H]1CCC[C@H]([NH+]2CCC(NC[C@]3(C)CCCO3)CC2)C1 ZINC000167055384 372586554 /nfs/dbraw/zinc/58/65/54/372586554.db2.gz LDVGJYILTBBHST-SZMVWBNQSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C[C@]3(C)CCCO3)CC2)C1 ZINC000167055384 372586560 /nfs/dbraw/zinc/58/65/60/372586560.db2.gz LDVGJYILTBBHST-SZMVWBNQSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000169040974 372626035 /nfs/dbraw/zinc/62/60/35/372626035.db2.gz SFVOGFLYWSTHQO-KBRIMQKVSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169040974 372626039 /nfs/dbraw/zinc/62/60/39/372626039.db2.gz SFVOGFLYWSTHQO-KBRIMQKVSA-N 1 3 292.854 3.487 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cccnc2)CC1 ZINC000171145184 372721383 /nfs/dbraw/zinc/72/13/83/372721383.db2.gz JRYRUTIVXXQKGC-UHFFFAOYSA-N 1 3 275.440 3.026 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cccnc2)CC1 ZINC000171145184 372721387 /nfs/dbraw/zinc/72/13/87/372721387.db2.gz JRYRUTIVXXQKGC-UHFFFAOYSA-N 1 3 275.440 3.026 20 0 CGADHO C[NH2+]CCCN(C1CC1)C1CC(c2ccccc2C)C1 ZINC000435878463 372823332 /nfs/dbraw/zinc/82/33/32/372823332.db2.gz BXLUHIIRVJVPLL-UHFFFAOYSA-N 1 3 272.436 3.315 20 0 CGADHO CCN(CC)CCC[NH2+]Cc1cccc2cnccc21 ZINC000061124868 541882664 /nfs/dbraw/zinc/88/26/64/541882664.db2.gz BKDNOSPPIUUXKE-UHFFFAOYSA-N 1 3 271.408 3.056 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000437777534 372858351 /nfs/dbraw/zinc/85/83/51/372858351.db2.gz RTDHRJHXBUBICG-OAHLLOKOSA-N 1 3 254.462 3.380 20 0 CGADHO C[C@@H](CNCc1cccc2cnccc21)C[NH+]1CCCC1 ZINC000062079026 541886083 /nfs/dbraw/zinc/88/60/83/541886083.db2.gz VLKOBQCRAWWGRJ-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc2cnccc21)CN1CCCC1 ZINC000062079026 541886085 /nfs/dbraw/zinc/88/60/85/541886085.db2.gz VLKOBQCRAWWGRJ-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CC(C)(C)OC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000444621174 373214983 /nfs/dbraw/zinc/21/49/83/373214983.db2.gz RDWHQHQTPWPNED-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000173886711 373209504 /nfs/dbraw/zinc/20/95/04/373209504.db2.gz HJDUAXUXAZNJBT-HZPDHXFCSA-N 1 3 260.425 3.064 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000173886711 373209508 /nfs/dbraw/zinc/20/95/08/373209508.db2.gz HJDUAXUXAZNJBT-HZPDHXFCSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000173886711 373209518 /nfs/dbraw/zinc/20/95/18/373209518.db2.gz HJDUAXUXAZNJBT-HZPDHXFCSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000173886711 373209526 /nfs/dbraw/zinc/20/95/26/373209526.db2.gz HJDUAXUXAZNJBT-HZPDHXFCSA-N 1 3 260.425 3.064 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000447819435 373497742 /nfs/dbraw/zinc/49/77/42/373497742.db2.gz AEFFNZDXDHTRBV-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000300239258 373621673 /nfs/dbraw/zinc/62/16/73/373621673.db2.gz QKBUUOIATWZZPT-QZWWFDLISA-N 1 3 264.457 3.418 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000300408726 373626981 /nfs/dbraw/zinc/62/69/81/373626981.db2.gz LOWVIFOPGNAFSG-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000178412920 373774678 /nfs/dbraw/zinc/77/46/78/373774678.db2.gz TVOWURWQQFSYJO-OAHLLOKOSA-N 1 3 276.424 3.222 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000178642146 373801574 /nfs/dbraw/zinc/80/15/74/373801574.db2.gz ILFZCCIHJRSJBV-BHIYHBOVSA-N 1 3 286.463 3.424 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000178642146 373801579 /nfs/dbraw/zinc/80/15/79/373801579.db2.gz ILFZCCIHJRSJBV-BHIYHBOVSA-N 1 3 286.463 3.424 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179582948 373891331 /nfs/dbraw/zinc/89/13/31/373891331.db2.gz IGUCUXXMBCEBHI-OAHLLOKOSA-N 1 3 264.388 3.135 20 0 CGADHO Cc1cc(NCCN(C)Cc2ccc(F)cc2)cc[nH+]1 ZINC000302364710 373857579 /nfs/dbraw/zinc/85/75/79/373857579.db2.gz AWGWHDWNFVOXDU-UHFFFAOYSA-N 1 3 273.355 3.073 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000179448943 373875154 /nfs/dbraw/zinc/87/51/54/373875154.db2.gz SQMYGQXIPSQDMI-WFASDCNBSA-N 1 3 266.816 3.475 20 0 CGADHO CCC(=O)CCC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000450322886 374056376 /nfs/dbraw/zinc/05/63/76/374056376.db2.gz CJNJFSRJJQVABM-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO CCC(=O)CCC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000450322886 374056380 /nfs/dbraw/zinc/05/63/80/374056380.db2.gz CJNJFSRJJQVABM-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1F ZINC000181375432 374114034 /nfs/dbraw/zinc/11/40/34/374114034.db2.gz PJBYIFWEWALINP-HIFRSBDPSA-N 1 3 264.388 3.269 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000181846664 374180877 /nfs/dbraw/zinc/18/08/77/374180877.db2.gz KLQHBTSBRGGRDZ-BBWFWOEESA-N 1 3 296.499 3.289 20 0 CGADHO c1ccc(CN2CCCC[C@H](C[NH2+]CC3CC3)C2)cc1 ZINC000310001082 374206296 /nfs/dbraw/zinc/20/62/96/374206296.db2.gz FBMZLFZYHSCXJM-GOSISDBHSA-N 1 3 272.436 3.288 20 0 CGADHO C[NH+]1CCC(C)(CNCc2ccsc2Cl)CC1 ZINC000312549546 374281597 /nfs/dbraw/zinc/28/15/97/374281597.db2.gz CBZVTPHOCQAJOF-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO COc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000317465415 374340038 /nfs/dbraw/zinc/34/00/38/374340038.db2.gz WJUFNXPLCZYGTB-HOCLYGCPSA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000317465415 374340044 /nfs/dbraw/zinc/34/00/44/374340044.db2.gz WJUFNXPLCZYGTB-HOCLYGCPSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@@H]1C[C@H](NCCCCC[NH+]2CCCCC2)c2nccn21 ZINC000453126174 374367047 /nfs/dbraw/zinc/36/70/47/374367047.db2.gz RTWBBEKGVITPPZ-CVEARBPZSA-N 1 3 290.455 3.135 20 0 CGADHO C(CC1CC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090118746 541957305 /nfs/dbraw/zinc/95/73/05/541957305.db2.gz UKKGVIHYWRMVDC-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CC/C=C/CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184567714 374540376 /nfs/dbraw/zinc/54/03/76/374540376.db2.gz SSXXTJOIZBPBGS-CWDCEQMOSA-N 1 3 250.430 3.293 20 0 CGADHO CCSc1cccc(C[NH2+]C[C@H]2CCN(CC)C2)c1 ZINC000185471395 374669984 /nfs/dbraw/zinc/66/99/84/374669984.db2.gz HYMKHVQADCWJRB-OAHLLOKOSA-N 1 3 278.465 3.230 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000464793903 374901861 /nfs/dbraw/zinc/90/18/61/374901861.db2.gz UXECNCFWTHPVPM-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000464793903 374901871 /nfs/dbraw/zinc/90/18/71/374901871.db2.gz UXECNCFWTHPVPM-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCC2CCCCC2)C1 ZINC000464793903 374901885 /nfs/dbraw/zinc/90/18/85/374901885.db2.gz UXECNCFWTHPVPM-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCC2CCCCC2)C1 ZINC000464793903 374901893 /nfs/dbraw/zinc/90/18/93/374901893.db2.gz UXECNCFWTHPVPM-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCC1(CC)CN(CC[C@H]2CCCC[N@@H+]2C)CCS1 ZINC000464582565 374889741 /nfs/dbraw/zinc/88/97/41/374889741.db2.gz OGIDJPBWOPMJLL-OAHLLOKOSA-N 1 3 284.513 3.468 20 0 CGADHO CCC1(CC)CN(CC[C@H]2CCCC[N@H+]2C)CCS1 ZINC000464582565 374889747 /nfs/dbraw/zinc/88/97/47/374889747.db2.gz OGIDJPBWOPMJLL-OAHLLOKOSA-N 1 3 284.513 3.468 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC000094528256 541988193 /nfs/dbraw/zinc/98/81/93/541988193.db2.gz QADILYZGGUULHW-HIFRSBDPSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000468979613 374985182 /nfs/dbraw/zinc/98/51/82/374985182.db2.gz KPYWVAFOBUMDFW-CZUORRHYSA-N 1 3 260.425 3.339 20 0 CGADHO CCc1cccc(F)c1CN(C)CC1CC[NH+](C)CC1 ZINC000474266813 375093833 /nfs/dbraw/zinc/09/38/33/375093833.db2.gz BVSNSPSLNGNWSC-UHFFFAOYSA-N 1 3 278.415 3.162 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC1 ZINC000483314783 375178440 /nfs/dbraw/zinc/17/84/40/375178440.db2.gz MNDQAEZXOGFLPW-CWRNSKLLSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](C[NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000491596113 375336841 /nfs/dbraw/zinc/33/68/41/375336841.db2.gz HLBQSPUVBIJFHZ-DOTOQJQBSA-N 1 3 262.441 3.358 20 0 CGADHO COc1cccc(F)c1[C@H](C)N[C@H](C)C1CC[NH+](C)CC1 ZINC000122528155 542024597 /nfs/dbraw/zinc/02/45/97/542024597.db2.gz PLWGOQQBKJHHSU-OLZOCXBDSA-N 1 3 294.414 3.215 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507506606 375708379 /nfs/dbraw/zinc/70/83/79/375708379.db2.gz GZYDVWNRXUZLHS-XSLAGTTESA-N 1 3 296.499 3.292 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507506604 375708391 /nfs/dbraw/zinc/70/83/91/375708391.db2.gz GZYDVWNRXUZLHS-OWSLCNJRSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CC23CCCC3)CC1 ZINC000336528129 375808308 /nfs/dbraw/zinc/80/83/08/375808308.db2.gz DTNWGJICPBYRRE-CQSZACIVSA-N 1 3 250.430 3.172 20 0 CGADHO CC[NH2+]CC1CCN(CCSc2ccc(F)cc2)CC1 ZINC000129995097 542059869 /nfs/dbraw/zinc/05/98/69/542059869.db2.gz GYRZVKPXMBFCTH-UHFFFAOYSA-N 1 3 296.455 3.239 20 0 CGADHO CC(C)OCc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000520564844 375864120 /nfs/dbraw/zinc/86/41/20/375864120.db2.gz DDVCHNGNQWSTBL-ZWKOTPCHSA-N 1 3 290.451 3.361 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC2)CC1 ZINC000336613979 375875496 /nfs/dbraw/zinc/87/54/96/375875496.db2.gz PKWYKWNXEXZLFS-BBRMVZONSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2CCC2)CC1 ZINC000336613979 375875500 /nfs/dbraw/zinc/87/55/00/375875500.db2.gz PKWYKWNXEXZLFS-BBRMVZONSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000336616975 375879380 /nfs/dbraw/zinc/87/93/80/375879380.db2.gz HJQGBNBJHHBRGV-JYVUQVBGSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000336616975 375879387 /nfs/dbraw/zinc/87/93/87/375879387.db2.gz HJQGBNBJHHBRGV-JYVUQVBGSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000336616975 375879390 /nfs/dbraw/zinc/87/93/90/375879390.db2.gz HJQGBNBJHHBRGV-JYVUQVBGSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)CN1CCCC1 ZINC000336807854 375960202 /nfs/dbraw/zinc/96/02/02/375960202.db2.gz AHPVLLNUNQDABD-AWEZNQCLSA-N 1 3 264.457 3.277 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNC[C@H]2CCC=CO2)c1 ZINC000194229503 375974627 /nfs/dbraw/zinc/97/46/27/375974627.db2.gz XUWSWENKJUTRSQ-GOSISDBHSA-N 1 3 288.435 3.311 20 0 CGADHO CCc1noc(C)c1CN1CCC(C[NH+](CC)CC)CC1 ZINC000336838478 376000768 /nfs/dbraw/zinc/00/07/68/376000768.db2.gz QDCSJBSEMTUZMR-UHFFFAOYSA-N 1 3 293.455 3.099 20 0 CGADHO CC[C@@H](Cc1ccccc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000535468156 376038944 /nfs/dbraw/zinc/03/89/44/376038944.db2.gz HTYNGEXWEJWRDY-ROUUACIJSA-N 1 3 274.452 3.424 20 0 CGADHO CC[C@@H](Cc1ccccc1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000535468156 376038951 /nfs/dbraw/zinc/03/89/51/376038951.db2.gz HTYNGEXWEJWRDY-ROUUACIJSA-N 1 3 274.452 3.424 20 0 CGADHO CC1CCC([N@H+](C)Cc2ccc3c(c2)CNCC3)CC1 ZINC000211936323 376134753 /nfs/dbraw/zinc/13/47/53/376134753.db2.gz KZQBRUOPBHMLPX-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC1CCC([N@@H+](C)Cc2ccc3c(c2)CNCC3)CC1 ZINC000211936323 376134760 /nfs/dbraw/zinc/13/47/60/376134760.db2.gz KZQBRUOPBHMLPX-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCCC2(C)C)C[C@@H](C)O1 ZINC000536859004 376137583 /nfs/dbraw/zinc/13/75/83/376137583.db2.gz SHQFSVHOIKRYBS-ZACQAIPSSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H](C)C1CCCCC1 ZINC000537306167 376162147 /nfs/dbraw/zinc/16/21/47/376162147.db2.gz CKFBNGRZLOMHHM-LSDHHAIUSA-N 1 3 264.457 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN(C)C(C)C)CC2 ZINC000221922184 376222976 /nfs/dbraw/zinc/22/29/76/376222976.db2.gz CGKVEUPOUAURBJ-KRWDZBQOSA-N 1 3 260.425 3.302 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)CN1CCCCC1 ZINC000222224764 376231677 /nfs/dbraw/zinc/23/16/77/376231677.db2.gz XTRTYQYINLXDJB-HOTGVXAUSA-N 1 3 292.442 3.468 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000541089250 376421334 /nfs/dbraw/zinc/42/13/34/376421334.db2.gz GZMUYIXYNIHQGY-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000541089250 376421338 /nfs/dbraw/zinc/42/13/38/376421338.db2.gz GZMUYIXYNIHQGY-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCC)C2)C1(C)C ZINC000540597302 376384541 /nfs/dbraw/zinc/38/45/41/376384541.db2.gz LDLPINMBNDAJAR-IXDOHACOSA-N 1 3 296.499 3.292 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000540606683 376386355 /nfs/dbraw/zinc/38/63/55/376386355.db2.gz PYRDSQAWISCMOJ-INIZCTEOSA-N 1 3 276.811 3.179 20 0 CGADHO CN1CC=C(C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000540645296 376387293 /nfs/dbraw/zinc/38/72/93/376387293.db2.gz LVXGHYSTOCEDIP-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO C[NH+]1CCC(C)(CNCc2cnc(C(C)(C)C)s2)CC1 ZINC000227329761 376389564 /nfs/dbraw/zinc/38/95/64/376389564.db2.gz CBLUAYKJCYMDFF-UHFFFAOYSA-N 1 3 295.496 3.262 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3csc4ccccc34)C[C@H]21 ZINC000228476459 376436491 /nfs/dbraw/zinc/43/64/91/376436491.db2.gz RGFGABTYEJBFNH-DAXOMENPSA-N 1 3 286.444 3.461 20 0 CGADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000542672273 376567273 /nfs/dbraw/zinc/56/72/73/376567273.db2.gz XOZVWDJLBLFWLT-CVEARBPZSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000542672273 376567280 /nfs/dbraw/zinc/56/72/80/376567280.db2.gz XOZVWDJLBLFWLT-CVEARBPZSA-N 1 3 292.471 3.115 20 0 CGADHO Cc1ccc(C)c(OCCCN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000234290263 376615416 /nfs/dbraw/zinc/61/54/16/376615416.db2.gz KKNFHZVORPFZOM-KRWDZBQOSA-N 1 3 290.451 3.146 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000222931363 572361750 /nfs/dbraw/zinc/36/17/50/572361750.db2.gz WMPOLWNSZSKILJ-YQQAZPJKSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000222931363 572361753 /nfs/dbraw/zinc/36/17/53/572361753.db2.gz WMPOLWNSZSKILJ-YQQAZPJKSA-N 1 3 260.425 3.437 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N1CCN(c2cc[nH+]cc2)CC1 ZINC000151344409 542101974 /nfs/dbraw/zinc/10/19/74/542101974.db2.gz IHPXFRXDAGFGBC-LJQANCHMSA-N 1 3 293.414 3.281 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(COCC)cc2)CC1 ZINC000151606292 542103172 /nfs/dbraw/zinc/10/31/72/542103172.db2.gz KOLQHHJLOIQTLD-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO CN(C)CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000151957292 542104395 /nfs/dbraw/zinc/10/43/95/542104395.db2.gz CEWWGERSKMPWTQ-ZDUSSCGKSA-N 1 3 284.856 3.418 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435931 376815617 /nfs/dbraw/zinc/81/56/17/376815617.db2.gz QSTYGVKIHKERKG-RDJZCZTQSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2C)[C@@H](C)C1 ZINC000245435931 376815628 /nfs/dbraw/zinc/81/56/28/376815628.db2.gz QSTYGVKIHKERKG-RDJZCZTQSA-N 1 3 260.425 3.157 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H]2CCC[C@H]21 ZINC000556887598 376900083 /nfs/dbraw/zinc/90/00/83/376900083.db2.gz ZMDHSPUWNFTAHO-FGTMMUONSA-N 1 3 298.430 3.438 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H]2CCC[C@H]21 ZINC000556887598 376900089 /nfs/dbraw/zinc/90/00/89/376900089.db2.gz ZMDHSPUWNFTAHO-FGTMMUONSA-N 1 3 298.430 3.438 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246414638 377026313 /nfs/dbraw/zinc/02/63/13/377026313.db2.gz MQXXVMKZBXEECA-WMLDXEAASA-N 1 3 286.419 3.295 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246414638 377026316 /nfs/dbraw/zinc/02/63/16/377026316.db2.gz MQXXVMKZBXEECA-WMLDXEAASA-N 1 3 286.419 3.295 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246235659 376995416 /nfs/dbraw/zinc/99/54/16/376995416.db2.gz TWYVEEJXPSWMMB-CVEARBPZSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246235659 376995417 /nfs/dbraw/zinc/99/54/17/376995417.db2.gz TWYVEEJXPSWMMB-CVEARBPZSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000340457393 377070617 /nfs/dbraw/zinc/07/06/17/377070617.db2.gz DQTXUCCXEZTNJS-KGLIPLIRSA-N 1 3 282.403 3.026 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CC)C2)C12CCCCC2 ZINC000246722040 377076934 /nfs/dbraw/zinc/07/69/34/377076934.db2.gz DDNDWAZHZHFTNK-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768490 377085439 /nfs/dbraw/zinc/08/54/39/377085439.db2.gz QJIUNUJISQWLOK-GUYCJALGSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768490 377085449 /nfs/dbraw/zinc/08/54/49/377085449.db2.gz QJIUNUJISQWLOK-GUYCJALGSA-N 1 3 296.405 3.169 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccccc2C)C1 ZINC000246817494 377097232 /nfs/dbraw/zinc/09/72/32/377097232.db2.gz BAEDUZSEQOJLHP-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccccc2C)C1 ZINC000246817494 377097245 /nfs/dbraw/zinc/09/72/45/377097245.db2.gz BAEDUZSEQOJLHP-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC000246817494 377097254 /nfs/dbraw/zinc/09/72/54/377097254.db2.gz BAEDUZSEQOJLHP-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093673 377156652 /nfs/dbraw/zinc/15/66/52/377156652.db2.gz PNXOYXHSHLNBLV-PBHICJAKSA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093673 377156662 /nfs/dbraw/zinc/15/66/62/377156662.db2.gz PNXOYXHSHLNBLV-PBHICJAKSA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093673 377156672 /nfs/dbraw/zinc/15/66/72/377156672.db2.gz PNXOYXHSHLNBLV-PBHICJAKSA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000247119608 377161888 /nfs/dbraw/zinc/16/18/88/377161888.db2.gz PPJLZHNGBOLENX-ULQDDVLXSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000247119608 377161893 /nfs/dbraw/zinc/16/18/93/377161893.db2.gz PPJLZHNGBOLENX-ULQDDVLXSA-N 1 3 290.451 3.082 20 0 CGADHO C[N@@H+]1CC[C@H](NCCSc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000560521386 377164350 /nfs/dbraw/zinc/16/43/50/377164350.db2.gz KPGFFNAHAHQIMS-ULQDDVLXSA-N 1 3 290.476 3.241 20 0 CGADHO C[N@H+]1CC[C@H](NCCSc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000560521386 377164357 /nfs/dbraw/zinc/16/43/57/377164357.db2.gz KPGFFNAHAHQIMS-ULQDDVLXSA-N 1 3 290.476 3.241 20 0 CGADHO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Sc1ccccc1 ZINC000247214264 377177306 /nfs/dbraw/zinc/17/73/06/377177306.db2.gz VZJCGQFUQPMVAJ-LJIGWXMPSA-N 1 3 292.492 3.486 20 0 CGADHO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Sc1ccccc1 ZINC000247214264 377177315 /nfs/dbraw/zinc/17/73/15/377177315.db2.gz VZJCGQFUQPMVAJ-LJIGWXMPSA-N 1 3 292.492 3.486 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000247219076 377179608 /nfs/dbraw/zinc/17/96/08/377179608.db2.gz XLMTXFBPICHQCT-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247474841 377210333 /nfs/dbraw/zinc/21/03/33/377210333.db2.gz SVZBXZAYFAVWIH-WBAXXEDZSA-N 1 3 272.436 3.384 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247474841 377210340 /nfs/dbraw/zinc/21/03/40/377210340.db2.gz SVZBXZAYFAVWIH-WBAXXEDZSA-N 1 3 272.436 3.384 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248446293 377322185 /nfs/dbraw/zinc/32/21/85/377322185.db2.gz GUVHWQSNDRLVHW-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccc(CCC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248446293 377322193 /nfs/dbraw/zinc/32/21/93/377322193.db2.gz GUVHWQSNDRLVHW-OALUTQOASA-N 1 3 286.463 3.344 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)CCc1c(F)cccc1F ZINC000562956236 377379442 /nfs/dbraw/zinc/37/94/42/377379442.db2.gz KQZPKTHROVSLCU-ZDUSSCGKSA-N 1 3 284.394 3.264 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCCCc2ccccc2)C1 ZINC000563422741 377461654 /nfs/dbraw/zinc/46/16/54/377461654.db2.gz BEGWNMMWKLUTNN-SJORKVTESA-N 1 3 260.425 3.259 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCCCc2ccccc2)C1 ZINC000563422738 377461915 /nfs/dbraw/zinc/46/19/15/377461915.db2.gz BEGWNMMWKLUTNN-DLBZAZTESA-N 1 3 260.425 3.259 20 0 CGADHO CC[C@H]([NH2+]CCCN(C)C1CCCCC1)C1CC1 ZINC000086119568 249017030 /nfs/dbraw/zinc/01/70/30/249017030.db2.gz PNUKNMPFTOBJOF-INIZCTEOSA-N 1 3 252.446 3.419 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166540702 542175487 /nfs/dbraw/zinc/17/54/87/542175487.db2.gz QWKSEMJFIMOGEQ-DLBZAZTESA-N 1 3 297.446 3.317 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166540702 542175491 /nfs/dbraw/zinc/17/54/91/542175491.db2.gz QWKSEMJFIMOGEQ-DLBZAZTESA-N 1 3 297.446 3.317 20 0 CGADHO Cc1ccc([C@H](C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166652418 542175940 /nfs/dbraw/zinc/17/59/40/542175940.db2.gz ANRJAXNMGSKHBP-BPQIPLTHSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1ccc([C@H](C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166652418 542175947 /nfs/dbraw/zinc/17/59/47/542175947.db2.gz ANRJAXNMGSKHBP-BPQIPLTHSA-N 1 3 272.436 3.315 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000339189038 249101774 /nfs/dbraw/zinc/10/17/74/249101774.db2.gz FVPKCPGPQWRGQE-ZDUSSCGKSA-N 1 3 266.816 3.080 20 0 CGADHO Fc1cccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000250108681 377551688 /nfs/dbraw/zinc/55/16/88/377551688.db2.gz GYZKVPHBPZQVPS-STCOUPBVSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000250108681 377551693 /nfs/dbraw/zinc/55/16/93/377551693.db2.gz GYZKVPHBPZQVPS-STCOUPBVSA-N 1 3 288.410 3.288 20 0 CGADHO CCCCOc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000469860621 249160295 /nfs/dbraw/zinc/16/02/95/249160295.db2.gz GGJQFHJHZWXEPC-ZBFHGGJFSA-N 1 3 276.424 3.035 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000250584460 377563611 /nfs/dbraw/zinc/56/36/11/377563611.db2.gz WUOKBHYDZNKHLS-LUKYLMHMSA-N 1 3 294.483 3.043 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000250584460 377563618 /nfs/dbraw/zinc/56/36/18/377563618.db2.gz WUOKBHYDZNKHLS-LUKYLMHMSA-N 1 3 294.483 3.043 20 0 CGADHO c1ccc(CC2([NH2+]C[C@H]3CCCNC3)CCCC2)cc1 ZINC000469986432 249165215 /nfs/dbraw/zinc/16/52/15/249165215.db2.gz ZIYVSOQXSSVOLL-KRWDZBQOSA-N 1 3 272.436 3.131 20 0 CGADHO C[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251147047 377573810 /nfs/dbraw/zinc/57/38/10/377573810.db2.gz XRIRDONVVQURLC-KTFSGNIMSA-N 1 3 258.409 3.005 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H]1C ZINC000252431212 377622254 /nfs/dbraw/zinc/62/22/54/377622254.db2.gz DZYMVEVZOKPWFC-RVKKMQEKSA-N 1 3 287.451 3.465 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000252513571 377634962 /nfs/dbraw/zinc/63/49/62/377634962.db2.gz YSOXSKPVBMOHDK-FXUDXRNXSA-N 1 3 250.430 3.172 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@@H]21 ZINC000252871160 377667019 /nfs/dbraw/zinc/66/70/19/377667019.db2.gz SSZRTQBEYQAYSZ-SPUZQDLCSA-N 1 3 270.420 3.123 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)C[C@@H]21 ZINC000252871160 377667025 /nfs/dbraw/zinc/66/70/25/377667025.db2.gz SSZRTQBEYQAYSZ-SPUZQDLCSA-N 1 3 270.420 3.123 20 0 CGADHO CCCCOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000252935124 377669427 /nfs/dbraw/zinc/66/94/27/377669427.db2.gz FEEXQZPSZLBEFM-GVDBMIGSSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000261571515 377817564 /nfs/dbraw/zinc/81/75/64/377817564.db2.gz RHWOAIIMTHMQOC-WRQOLXDDSA-N 1 3 264.457 3.323 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)CN2C[C@H]2CCC[NH2+]C2)c1 ZINC000262028026 377880470 /nfs/dbraw/zinc/88/04/70/377880470.db2.gz WURSENOWTXAZIU-MPGHIAIKSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@H]2CCCNC2)c1 ZINC000262028026 377880476 /nfs/dbraw/zinc/88/04/76/377880476.db2.gz WURSENOWTXAZIU-MPGHIAIKSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H]2CCCNC2)c1 ZINC000262028026 377880482 /nfs/dbraw/zinc/88/04/82/377880482.db2.gz WURSENOWTXAZIU-MPGHIAIKSA-N 1 3 288.435 3.078 20 0 CGADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC12CCCCC2 ZINC000262039788 377882857 /nfs/dbraw/zinc/88/28/57/377882857.db2.gz PAPOYMNNBVYOCL-HZPDHXFCSA-N 1 3 264.457 3.278 20 0 CGADHO C[C@@H](CN(C)CC(C)(C)C[NH3+])c1cccc(Cl)c1 ZINC000262038341 377882874 /nfs/dbraw/zinc/88/28/74/377882874.db2.gz XZKOPNQYKWWRMI-LBPRGKRZSA-N 1 3 268.832 3.360 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261734695 377847019 /nfs/dbraw/zinc/84/70/19/377847019.db2.gz LODHVWAUZWDSDP-USXIJHARSA-N 1 3 272.436 3.153 20 0 CGADHO [NH3+]C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000261771515 377851762 /nfs/dbraw/zinc/85/17/62/377851762.db2.gz SGLMSHFZHJHENR-YECZOLDGSA-N 1 3 292.426 3.374 20 0 CGADHO CCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1F ZINC000261799763 377855324 /nfs/dbraw/zinc/85/53/24/377855324.db2.gz GVERUDGJYXEWSE-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343095167 377901454 /nfs/dbraw/zinc/90/14/54/377901454.db2.gz NZKCXSDQRGAQKZ-INIZCTEOSA-N 1 3 278.827 3.401 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC000577865458 378019106 /nfs/dbraw/zinc/01/91/06/378019106.db2.gz BJNQCNQXBZKLRP-ROUUACIJSA-N 1 3 268.404 3.242 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc3ccccc3c2)C1 ZINC000577865458 378019110 /nfs/dbraw/zinc/01/91/10/378019110.db2.gz BJNQCNQXBZKLRP-ROUUACIJSA-N 1 3 268.404 3.242 20 0 CGADHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000575837841 377995237 /nfs/dbraw/zinc/99/52/37/377995237.db2.gz PUPYHMVRWULWRZ-INIZCTEOSA-N 1 3 290.426 3.298 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000575837841 377995242 /nfs/dbraw/zinc/99/52/42/377995242.db2.gz PUPYHMVRWULWRZ-INIZCTEOSA-N 1 3 290.426 3.298 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890329 378021356 /nfs/dbraw/zinc/02/13/56/378021356.db2.gz CCLXFLBFRHOMQR-ZACQAIPSSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000577890329 378021360 /nfs/dbraw/zinc/02/13/60/378021360.db2.gz CCLXFLBFRHOMQR-ZACQAIPSSA-N 1 3 294.483 3.140 20 0 CGADHO CCOc1ccc(Cl)cc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000578787167 378101541 /nfs/dbraw/zinc/10/15/41/378101541.db2.gz FLFYQTJYDHWGRT-CABCVRRESA-N 1 3 296.842 3.141 20 0 CGADHO Cc1cc([C@H](C)NCc2ccc(C[NH3+])cc2)cs1 ZINC000579838603 378200363 /nfs/dbraw/zinc/20/03/63/378200363.db2.gz HQRFGVJEISJQSO-LBPRGKRZSA-N 1 3 260.406 3.366 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000345173763 378213256 /nfs/dbraw/zinc/21/32/56/378213256.db2.gz MMTAYZFFCOJYOG-UHFFFAOYSA-N 1 3 284.325 3.057 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000579973000 378214450 /nfs/dbraw/zinc/21/44/50/378214450.db2.gz RWTOXTYSQPOIEX-DJIMGWMZSA-N 1 3 290.451 3.437 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)Cc1ccccc1 ZINC000579461571 378162448 /nfs/dbraw/zinc/16/24/48/378162448.db2.gz FMZYWRVITVYVCB-NEWSRXKRSA-N 1 3 288.479 3.479 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054705 378281910 /nfs/dbraw/zinc/28/19/10/378281910.db2.gz AJTPTKGAUBKLOO-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054705 378281917 /nfs/dbraw/zinc/28/19/17/378281917.db2.gz AJTPTKGAUBKLOO-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054705 378281920 /nfs/dbraw/zinc/28/19/20/378281920.db2.gz AJTPTKGAUBKLOO-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054705 378281925 /nfs/dbraw/zinc/28/19/25/378281925.db2.gz AJTPTKGAUBKLOO-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO COc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])c2ccccc12 ZINC000582241122 378296153 /nfs/dbraw/zinc/29/61/53/378296153.db2.gz CJVSPLOXPUTZHA-CHWSQXEVSA-N 1 3 272.392 3.064 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271904009 378512363 /nfs/dbraw/zinc/51/23/63/378512363.db2.gz WCOCRAHNXACUOF-GJZGRUSLSA-N 1 3 288.435 3.039 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000272093539 378561800 /nfs/dbraw/zinc/56/18/00/378561800.db2.gz OQMVWCBVFDSZOJ-LSDHHAIUSA-N 1 3 278.415 3.251 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000346576376 378629334 /nfs/dbraw/zinc/62/93/34/378629334.db2.gz PWRYXVRVYNYYJM-CJNGLKHVSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000346480744 378590363 /nfs/dbraw/zinc/59/03/63/378590363.db2.gz FZEIVYJKTMYVQD-ZBRFXRBCSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CCCO2)c1 ZINC000346484258 378592136 /nfs/dbraw/zinc/59/21/36/378592136.db2.gz MVRVXEHGNYNWCO-QAPCUYQASA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CCCO2)c1 ZINC000346484258 378592143 /nfs/dbraw/zinc/59/21/43/378592143.db2.gz MVRVXEHGNYNWCO-QAPCUYQASA-N 1 3 290.451 3.184 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C)n2)CC1 ZINC000346651252 378661657 /nfs/dbraw/zinc/66/16/57/378661657.db2.gz VUCUFCUPVQARPS-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C)n2)CC1 ZINC000346651252 378661667 /nfs/dbraw/zinc/66/16/67/378661667.db2.gz VUCUFCUPVQARPS-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2(C(C)C)CC2)C1 ZINC000638124275 378709683 /nfs/dbraw/zinc/70/96/83/378709683.db2.gz VGUKMGFVJPYIJN-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638124275 378709691 /nfs/dbraw/zinc/70/96/91/378709691.db2.gz VGUKMGFVJPYIJN-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC2(C(C)C)CC2)C1 ZINC000638124275 378709698 /nfs/dbraw/zinc/70/96/98/378709698.db2.gz VGUKMGFVJPYIJN-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO COCC[N@H+](CC[C@H]1CCCN1C)[C@@H](C)c1ccccc1 ZINC000348079035 378780398 /nfs/dbraw/zinc/78/03/98/378780398.db2.gz PYZLRZRTTMYIKI-FUHWJXTLSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[N@@H+](CC[C@H]1CCCN1C)[C@@H](C)c1ccccc1 ZINC000348079035 378780401 /nfs/dbraw/zinc/78/04/01/378780401.db2.gz PYZLRZRTTMYIKI-FUHWJXTLSA-N 1 3 290.451 3.180 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784735 218012602 /nfs/dbraw/zinc/01/26/02/218012602.db2.gz YJGSQYBONIURLL-GLJUWKHASA-N 1 3 283.419 3.053 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638450771 378807840 /nfs/dbraw/zinc/80/78/40/378807840.db2.gz HGEYUCUHIVQLSR-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638450771 378807845 /nfs/dbraw/zinc/80/78/45/378807845.db2.gz HGEYUCUHIVQLSR-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CCC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638450771 378807852 /nfs/dbraw/zinc/80/78/52/378807852.db2.gz HGEYUCUHIVQLSR-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO Cc1cc(NC[C@H](c2cccs2)N(C)C)cc[nH+]1 ZINC000274368825 378821351 /nfs/dbraw/zinc/82/13/51/378821351.db2.gz POXKZKBEHKOMME-CYBMUJFWSA-N 1 3 261.394 3.166 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000348306078 378897684 /nfs/dbraw/zinc/89/76/84/378897684.db2.gz XGAXZLWYALRXDQ-ROUUACIJSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1cccnc1 ZINC000348306078 378897690 /nfs/dbraw/zinc/89/76/90/378897690.db2.gz XGAXZLWYALRXDQ-ROUUACIJSA-N 1 3 289.467 3.114 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495555 379025033 /nfs/dbraw/zinc/02/50/33/379025033.db2.gz YYDJKCLQJGFDJT-AEFFLSMTSA-N 1 3 288.435 3.014 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495555 379025038 /nfs/dbraw/zinc/02/50/38/379025038.db2.gz YYDJKCLQJGFDJT-AEFFLSMTSA-N 1 3 288.435 3.014 20 0 CGADHO COc1cccc(CCC[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277116877 379074321 /nfs/dbraw/zinc/07/43/21/379074321.db2.gz HMCJCGDAGKEYSE-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO COc1cccc(CCC[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277116877 379074324 /nfs/dbraw/zinc/07/43/24/379074324.db2.gz HMCJCGDAGKEYSE-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO COc1cccc(CCCN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277116877 379074327 /nfs/dbraw/zinc/07/43/27/379074327.db2.gz HMCJCGDAGKEYSE-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277601299 379197667 /nfs/dbraw/zinc/19/76/67/379197667.db2.gz VRCMSCTXNXLBKO-RDJZCZTQSA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277601299 379197674 /nfs/dbraw/zinc/19/76/74/379197674.db2.gz VRCMSCTXNXLBKO-RDJZCZTQSA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@@H](C)CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277601299 379197680 /nfs/dbraw/zinc/19/76/80/379197680.db2.gz VRCMSCTXNXLBKO-RDJZCZTQSA-N 1 3 290.451 3.215 20 0 CGADHO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccsc1 ZINC000373520134 379292038 /nfs/dbraw/zinc/29/20/38/379292038.db2.gz HHEQCYZKDSCPSP-LRVUVFPRSA-N 1 3 264.438 3.416 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(C)s1 ZINC000349664477 379335757 /nfs/dbraw/zinc/33/57/57/379335757.db2.gz LTOVDNQJCGWZIN-CQSZACIVSA-N 1 3 284.469 3.066 20 0 CGADHO Fc1cc(F)c(CNCC2CC[NH+](C3CC3)CC2)cc1F ZINC000278307041 379343650 /nfs/dbraw/zinc/34/36/50/379343650.db2.gz DLOQPECJKVMXQN-UHFFFAOYSA-N 1 3 298.352 3.068 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000278437320 379386372 /nfs/dbraw/zinc/38/63/72/379386372.db2.gz TUINFHNHAWPJLT-AWEZNQCLSA-N 1 3 293.430 3.131 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000278437320 379386382 /nfs/dbraw/zinc/38/63/82/379386382.db2.gz TUINFHNHAWPJLT-AWEZNQCLSA-N 1 3 293.430 3.131 20 0 CGADHO Cc1ccccc1[C@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278341031 379354070 /nfs/dbraw/zinc/35/40/70/379354070.db2.gz AHURLXQSSNVKQN-IRXDYDNUSA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccccc1[C@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278341031 379354077 /nfs/dbraw/zinc/35/40/77/379354077.db2.gz AHURLXQSSNVKQN-IRXDYDNUSA-N 1 3 290.451 3.147 20 0 CGADHO Cc1cc(C)c(CN2CCC(CC[NH+](C)C)CC2)c(C)n1 ZINC000639458826 379406791 /nfs/dbraw/zinc/40/67/91/379406791.db2.gz ZUVKCULSJCYNPM-UHFFFAOYSA-N 1 3 289.467 3.171 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2occc2c1 ZINC000352246230 379756449 /nfs/dbraw/zinc/75/64/49/379756449.db2.gz NXQSFBAUSWGIKK-UHFFFAOYSA-N 1 3 260.381 3.110 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217995 379823881 /nfs/dbraw/zinc/82/38/81/379823881.db2.gz TXTVBBQPCVDNQM-YLQAJVPDSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217995 379823884 /nfs/dbraw/zinc/82/38/84/379823884.db2.gz TXTVBBQPCVDNQM-YLQAJVPDSA-N 1 3 276.399 3.275 20 0 CGADHO CC(C)[NH+](CCCN[C@@H](C)Cc1ccc(O)cc1)C(C)C ZINC000352660858 379898226 /nfs/dbraw/zinc/89/82/26/379898226.db2.gz PRGURGYNDDEQPJ-INIZCTEOSA-N 1 3 292.467 3.422 20 0 CGADHO CC[C@H](NCCC1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352795920 379965647 /nfs/dbraw/zinc/96/56/47/379965647.db2.gz MPLNOANUIXGMCX-INIZCTEOSA-N 1 3 293.430 3.383 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCc1ccc2ccccc2c1 ZINC000641801702 380112048 /nfs/dbraw/zinc/11/20/48/380112048.db2.gz DZHOQMDIRDZROO-IAGOWNOFSA-N 1 3 268.404 3.098 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097659 380189770 /nfs/dbraw/zinc/18/97/70/380189770.db2.gz IJZZSXPXEQDEMJ-SOUVJXGZSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000414097659 380189772 /nfs/dbraw/zinc/18/97/72/380189772.db2.gz IJZZSXPXEQDEMJ-SOUVJXGZSA-N 1 3 276.424 3.137 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000353924348 380237934 /nfs/dbraw/zinc/23/79/34/380237934.db2.gz BLWDCQMOGZTOGF-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000353928880 380240750 /nfs/dbraw/zinc/24/07/50/380240750.db2.gz MCUQYVBKQYEQGQ-MRXNPFEDSA-N 1 3 292.471 3.208 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000353928880 380240753 /nfs/dbraw/zinc/24/07/53/380240753.db2.gz MCUQYVBKQYEQGQ-MRXNPFEDSA-N 1 3 292.471 3.208 20 0 CGADHO Cc1cccc(C[C@@H](NC[C@@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501631 380323161 /nfs/dbraw/zinc/32/31/61/380323161.db2.gz MRIKQLRHOCNYOI-ZWKOTPCHSA-N 1 3 272.436 3.048 20 0 CGADHO CC[NH+](CC)CCOC1CCN(Cc2cccs2)CC1 ZINC000354032874 380287774 /nfs/dbraw/zinc/28/77/74/380287774.db2.gz FSVBCOLHAFAWPT-UHFFFAOYSA-N 1 3 296.480 3.071 20 0 CGADHO CC[C@H](NCC1C[NH2+]C1)c1cccc2ccccc21 ZINC000643516123 380335860 /nfs/dbraw/zinc/33/58/60/380335860.db2.gz LOWGEZABYHKOGL-KRWDZBQOSA-N 1 3 254.377 3.100 20 0 CGADHO CC[C@H]([NH2+]CC1CNC1)c1cccc2ccccc21 ZINC000643516123 380335865 /nfs/dbraw/zinc/33/58/65/380335865.db2.gz LOWGEZABYHKOGL-KRWDZBQOSA-N 1 3 254.377 3.100 20 0 CGADHO CCc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)s1 ZINC000643521404 380336137 /nfs/dbraw/zinc/33/61/37/380336137.db2.gz FDOKYAXTMNTNBZ-NEPJUHHUSA-N 1 3 252.427 3.103 20 0 CGADHO C[C@@H](NCCCCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000643458410 380310134 /nfs/dbraw/zinc/31/01/34/380310134.db2.gz VRMUHQHFFGVWKU-WBVHZDCISA-N 1 3 260.425 3.130 20 0 CGADHO C[C@H](NCCc1ccc(-c2ccccc2)cc1)C1C[NH2+]C1 ZINC000643467627 380315069 /nfs/dbraw/zinc/31/50/69/380315069.db2.gz FBPZYOYIPSZJMI-HNNXBMFYSA-N 1 3 280.415 3.094 20 0 CGADHO C[C@H]([NH2+]CCc1ccc(-c2ccccc2)cc1)C1CNC1 ZINC000643467627 380315076 /nfs/dbraw/zinc/31/50/76/380315076.db2.gz FBPZYOYIPSZJMI-HNNXBMFYSA-N 1 3 280.415 3.094 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H](N)[C@H]3C2)C1 ZINC000414671334 380363832 /nfs/dbraw/zinc/36/38/32/380363832.db2.gz NXJSNXDVOCTRAX-HZZCBIDNSA-N 1 3 284.447 3.166 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@@H](N)[C@H]3C2)C1 ZINC000414671334 380363835 /nfs/dbraw/zinc/36/38/35/380363835.db2.gz NXJSNXDVOCTRAX-HZZCBIDNSA-N 1 3 284.447 3.166 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@@H]3CC[C@H](N)[C@@H]3C2)C1 ZINC000414671536 380364089 /nfs/dbraw/zinc/36/40/89/380364089.db2.gz NXJSNXDVOCTRAX-UJCHZGTJSA-N 1 3 284.447 3.166 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@H](N)[C@@H]3C2)C1 ZINC000414671536 380364094 /nfs/dbraw/zinc/36/40/94/380364094.db2.gz NXJSNXDVOCTRAX-UJCHZGTJSA-N 1 3 284.447 3.166 20 0 CGADHO CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548584 380364638 /nfs/dbraw/zinc/36/46/38/380364638.db2.gz RLOPVRZEYCBKCM-BZUAXINKSA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)CO[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548584 380364643 /nfs/dbraw/zinc/36/46/43/380364643.db2.gz RLOPVRZEYCBKCM-BZUAXINKSA-N 1 3 294.483 3.090 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548842 380365833 /nfs/dbraw/zinc/36/58/33/380365833.db2.gz VZVQBMZAWKIJDZ-RHSMWYFYSA-N 1 3 285.435 3.198 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N(CCC[NH3+])C1CC1 ZINC000414701714 380380239 /nfs/dbraw/zinc/38/02/39/380380239.db2.gz KPUUUZNRJMFUCH-LLVKDONJSA-N 1 3 252.789 3.214 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523505 380338978 /nfs/dbraw/zinc/33/89/78/380338978.db2.gz XIASBPPAGBVJIR-MRXNPFEDSA-N 1 3 286.444 3.462 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526873 380342247 /nfs/dbraw/zinc/34/22/47/380342247.db2.gz BCZMSFCCGKICSN-OQPBUACISA-N 1 3 273.207 3.381 20 0 CGADHO NC1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000414654857 380354893 /nfs/dbraw/zinc/35/48/93/380354893.db2.gz JRPQQAXRUZLDQE-UHFFFAOYSA-N 1 3 272.436 3.384 20 0 CGADHO [NH3+]C1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000414654857 380354901 /nfs/dbraw/zinc/35/49/01/380354901.db2.gz JRPQQAXRUZLDQE-UHFFFAOYSA-N 1 3 272.436 3.384 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546883 380361108 /nfs/dbraw/zinc/36/11/08/380361108.db2.gz WELVKTJAEUZICO-UONOGXRCSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1C(C)(C)C1(C)C ZINC000643547359 380361745 /nfs/dbraw/zinc/36/17/45/380361745.db2.gz DIMAXMCZJKBULJ-STQMWFEESA-N 1 3 264.457 3.321 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(-c2ccncc2)c1 ZINC000414813672 380425523 /nfs/dbraw/zinc/42/55/23/380425523.db2.gz YPDSRDMZGSYSEN-RTBURBONSA-N 1 3 295.430 3.356 20 0 CGADHO CSc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414814614 380426044 /nfs/dbraw/zinc/42/60/44/380426044.db2.gz ZKTPRIQUXIBSDP-HIFRSBDPSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCCNC1)c1cccc(Cl)c1 ZINC000414857046 380457396 /nfs/dbraw/zinc/45/73/96/380457396.db2.gz OSZNKFHMWSWTGU-OLZOCXBDSA-N 1 3 266.816 3.033 20 0 CGADHO C[C@H](CNC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000414857046 380457405 /nfs/dbraw/zinc/45/74/05/380457405.db2.gz OSZNKFHMWSWTGU-OLZOCXBDSA-N 1 3 266.816 3.033 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000414823803 380434472 /nfs/dbraw/zinc/43/44/72/380434472.db2.gz DWZWKDBJTFIJMD-ROUUACIJSA-N 1 3 274.452 3.377 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000414832590 380440486 /nfs/dbraw/zinc/44/04/86/380440486.db2.gz FFUHVCFSTHACBW-HUUCEWRRSA-N 1 3 262.441 3.188 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(C)(C)c1ccccc1 ZINC000414832590 380440493 /nfs/dbraw/zinc/44/04/93/380440493.db2.gz FFUHVCFSTHACBW-HUUCEWRRSA-N 1 3 262.441 3.188 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414836086 380443523 /nfs/dbraw/zinc/44/35/23/380443523.db2.gz UILCZLKXVXGYBF-AEZOWIDVSA-N 1 3 278.827 3.144 20 0 CGADHO C[C@H](NCc1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000414851361 380453000 /nfs/dbraw/zinc/45/30/00/380453000.db2.gz JBZTYWXDYKNGDX-GXTWGEPZSA-N 1 3 274.433 3.379 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414852037 380454086 /nfs/dbraw/zinc/45/40/86/380454086.db2.gz QBVVKCDBTLMMRN-ZDUSSCGKSA-N 1 3 292.320 3.308 20 0 CGADHO CC(C)C[C@H](C[NH2+]C1CCNCC1)c1ccccc1 ZINC000414785562 380402661 /nfs/dbraw/zinc/40/26/61/380402661.db2.gz VQGSTADBAWODKG-MRXNPFEDSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)C[C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000414785562 380402673 /nfs/dbraw/zinc/40/26/73/380402673.db2.gz VQGSTADBAWODKG-MRXNPFEDSA-N 1 3 260.425 3.158 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1coc2ccccc12 ZINC000414794456 380408204 /nfs/dbraw/zinc/40/82/04/380408204.db2.gz FQVUCHKDKFPWEW-WFASDCNBSA-N 1 3 258.365 3.040 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(OC2CCCC2)c1 ZINC000414802259 380415012 /nfs/dbraw/zinc/41/50/12/380415012.db2.gz VJVUQPLFNDSSHQ-CRAIPNDOSA-N 1 3 288.435 3.225 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000414915862 380487927 /nfs/dbraw/zinc/48/79/27/380487927.db2.gz NIQVAYJCSSKBDU-MHORFTMASA-N 1 3 272.436 3.257 20 0 CGADHO C[C@@H](CCC1CCCCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414944579 380499800 /nfs/dbraw/zinc/49/98/00/380499800.db2.gz HBBXNAUGQVWHQN-LZWOXQAQSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000414977803 380504209 /nfs/dbraw/zinc/50/42/09/380504209.db2.gz RWZLJKDHPYVPRL-QLFBSQMISA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccsc1C[NH2+]CC1(N)CCCCCC1 ZINC000414861018 380461825 /nfs/dbraw/zinc/46/18/25/380461825.db2.gz RFSMEKMGCHWMEQ-UHFFFAOYSA-N 1 3 252.427 3.198 20 0 CGADHO C[C@H](C[NH3+])CNCc1cccc(Oc2ccccc2)c1 ZINC000414880521 380472220 /nfs/dbraw/zinc/47/22/20/380472220.db2.gz QWPDMCFUIDKYOZ-CQSZACIVSA-N 1 3 270.376 3.163 20 0 CGADHO C[C@@H](CN)C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414883525 380474039 /nfs/dbraw/zinc/47/40/39/380474039.db2.gz VGMOOVZAXRQMJF-LBPRGKRZSA-N 1 3 288.357 3.213 20 0 CGADHO C[C@H](CN)C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414883524 380474420 /nfs/dbraw/zinc/47/44/20/380474420.db2.gz VGMOOVZAXRQMJF-GFCCVEGCSA-N 1 3 288.357 3.213 20 0 CGADHO C[C@@H](CCN)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414893956 380477820 /nfs/dbraw/zinc/47/78/20/380477820.db2.gz KUKBBGOLMSQEKA-MNOVXSKESA-N 1 3 274.330 3.136 20 0 CGADHO C[C@@H](C[NH2+]C[C@]1(C)CCCNC1)c1cccc(Cl)c1 ZINC000414899112 380480456 /nfs/dbraw/zinc/48/04/56/380480456.db2.gz CFPGREWJCLTBCV-XJKSGUPXSA-N 1 3 280.843 3.423 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414903583 380482849 /nfs/dbraw/zinc/48/28/49/380482849.db2.gz IPMDDZNSEUHINX-IJEWVQPXSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1COC(C)(C)C1 ZINC000417956581 380687791 /nfs/dbraw/zinc/68/77/91/380687791.db2.gz ATMGNWLAIIFOQA-QGZVFWFLSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1COC(C)(C)C1 ZINC000417956581 380687798 /nfs/dbraw/zinc/68/77/98/380687798.db2.gz ATMGNWLAIIFOQA-QGZVFWFLSA-N 1 3 290.451 3.184 20 0 CGADHO C[N@H+](CCC1CC1)CCC1CCN(c2ccncc2)CC1 ZINC000357046231 381011023 /nfs/dbraw/zinc/01/10/23/381011023.db2.gz UPLHDAVMYBRDBE-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO C[N@@H+](CCC1CC1)CCC1CCN(c2ccncc2)CC1 ZINC000357046231 381011030 /nfs/dbraw/zinc/01/10/30/381011030.db2.gz UPLHDAVMYBRDBE-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981343 381641273 /nfs/dbraw/zinc/64/12/73/381641273.db2.gz KCLRYCUCXAOTAJ-JQHSSLGASA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981343 381641280 /nfs/dbraw/zinc/64/12/80/381641280.db2.gz KCLRYCUCXAOTAJ-JQHSSLGASA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]2C1)Cc1ccccc1 ZINC000360981343 381641284 /nfs/dbraw/zinc/64/12/84/381641284.db2.gz KCLRYCUCXAOTAJ-JQHSSLGASA-N 1 3 272.436 3.082 20 0 CGADHO C(=C\C[N@@H+]1CCC2(CCC2)C1)\CN1CCC2(CCC2)C1 ZINC000255639623 542353470 /nfs/dbraw/zinc/35/34/70/542353470.db2.gz HJTOBFQDIRPIMX-UPHRSURJSA-N 1 3 274.452 3.295 20 0 CGADHO C(=C\C[N@H+]1CCC2(CCC2)C1)\CN1CCC2(CCC2)C1 ZINC000255639623 542353474 /nfs/dbraw/zinc/35/34/74/542353474.db2.gz HJTOBFQDIRPIMX-UPHRSURJSA-N 1 3 274.452 3.295 20 0 CGADHO COc1ccccc1[C@@H]([NH2+]C[C@@H](N)C1CC1)C1CCCC1 ZINC000423319679 532980945 /nfs/dbraw/zinc/98/09/45/532980945.db2.gz LWQLUBZPXKBHSL-AEFFLSMTSA-N 1 3 288.435 3.253 20 0 CGADHO Cc1ccncc1CNCCCCC[NH+]1CCCCC1 ZINC000281031533 195076086 /nfs/dbraw/zinc/07/60/86/195076086.db2.gz YOKYCBAMPDPERU-UHFFFAOYSA-N 1 3 275.440 3.136 20 0 CGADHO COc1ccc([C@H](CCC(C)C)NCC[C@H](C)[NH3+])cc1 ZINC000423228068 533178594 /nfs/dbraw/zinc/17/85/94/533178594.db2.gz YBMSQMGYYWLCPI-YOEHRIQHSA-N 1 3 278.440 3.499 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)NC[C@H](C)C[NH3+])cc1 ZINC000423316152 533189852 /nfs/dbraw/zinc/18/98/52/533189852.db2.gz ZPCKXORYULDRDY-BEFAXECRSA-N 1 3 298.430 3.163 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068415 542486203 /nfs/dbraw/zinc/48/62/03/542486203.db2.gz PJPJBJRBCURSBE-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068415 542486204 /nfs/dbraw/zinc/48/62/04/542486204.db2.gz PJPJBJRBCURSBE-CVEARBPZSA-N 1 3 278.827 3.099 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)ccc2c1 ZINC000423437106 533338094 /nfs/dbraw/zinc/33/80/94/533338094.db2.gz FYFZNEBWJWJZKW-UPJWGTAASA-N 1 3 272.392 3.235 20 0 CGADHO C(COCC1CCCC1)N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000313287435 533366724 /nfs/dbraw/zinc/36/67/24/533366724.db2.gz XCXRKMLINCNXKO-KSZLIROESA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc(CO)c1 ZINC000423296266 533448926 /nfs/dbraw/zinc/44/89/26/533448926.db2.gz YUMCHIWEBCCVKX-UONOGXRCSA-N 1 3 284.403 3.049 20 0 CGADHO CSC1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000365671114 533479895 /nfs/dbraw/zinc/47/98/95/533479895.db2.gz FXYYSDZGHFZGAE-HNNXBMFYSA-N 1 3 282.497 3.222 20 0 CGADHO COc1cc(C)ccc1CNCCCCC[NH+]1CCCC1 ZINC000449343675 533668191 /nfs/dbraw/zinc/66/81/91/533668191.db2.gz MFICLALKHJUQKG-UHFFFAOYSA-N 1 3 290.451 3.359 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC000385231673 542602620 /nfs/dbraw/zinc/60/26/20/542602620.db2.gz HIRIWMYLFRGUFG-HOTGVXAUSA-N 1 3 250.430 3.018 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC000385231673 542602624 /nfs/dbraw/zinc/60/26/24/542602624.db2.gz HIRIWMYLFRGUFG-HOTGVXAUSA-N 1 3 250.430 3.018 20 0 CGADHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000391177299 542612430 /nfs/dbraw/zinc/61/24/30/542612430.db2.gz NYUPDJRHPQVZHA-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000391177299 542612434 /nfs/dbraw/zinc/61/24/34/542612434.db2.gz NYUPDJRHPQVZHA-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000391177299 542612439 /nfs/dbraw/zinc/61/24/39/542612439.db2.gz NYUPDJRHPQVZHA-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1Br ZINC000414926196 542641184 /nfs/dbraw/zinc/64/11/84/542641184.db2.gz MXBANLCPQACDKJ-STQMWFEESA-N 1 3 297.240 3.117 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000414935381 542642033 /nfs/dbraw/zinc/64/20/33/542642033.db2.gz YKTKNRDOWQBDIN-NEPJUHHUSA-N 1 3 284.806 3.271 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCCc2c(F)cccc2Cl)C1 ZINC000414935381 542642037 /nfs/dbraw/zinc/64/20/37/542642037.db2.gz YKTKNRDOWQBDIN-NEPJUHHUSA-N 1 3 284.806 3.271 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000106868333 392311055 /nfs/dbraw/zinc/31/10/55/392311055.db2.gz VLBJEEBTNZNTEA-HYVNUMGLSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000106868333 392311060 /nfs/dbraw/zinc/31/10/60/392311060.db2.gz VLBJEEBTNZNTEA-HYVNUMGLSA-N 1 3 258.409 3.007 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000281989379 392269268 /nfs/dbraw/zinc/26/92/68/392269268.db2.gz CJWAJSATAXVGSC-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H](CCN(C)CCC1CC1)[N@H+](C)CCC1CC1 ZINC000441224981 542664998 /nfs/dbraw/zinc/66/49/98/542664998.db2.gz GBPUJTXAHAQIPK-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CCN(C)CCC1CC1)[N@@H+](C)CCC1CC1 ZINC000441224981 542665002 /nfs/dbraw/zinc/66/50/02/542665002.db2.gz GBPUJTXAHAQIPK-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@H+](C)CCC1CC1)N(C)CCC1CC1 ZINC000441224981 542665007 /nfs/dbraw/zinc/66/50/07/542665007.db2.gz GBPUJTXAHAQIPK-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@@H+](C)CCC1CC1)N(C)CCC1CC1 ZINC000441224981 542665010 /nfs/dbraw/zinc/66/50/10/542665010.db2.gz GBPUJTXAHAQIPK-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246825921 131098401 /nfs/dbraw/zinc/09/84/01/131098401.db2.gz AVLUKLVFLYIXOH-YFHUEUNASA-N 1 3 290.451 3.081 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246825921 131098402 /nfs/dbraw/zinc/09/84/02/131098402.db2.gz AVLUKLVFLYIXOH-YFHUEUNASA-N 1 3 290.451 3.081 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000109787765 392374538 /nfs/dbraw/zinc/37/45/38/392374538.db2.gz UGGZBPHHYUOAJA-UHFFFAOYSA-N 1 3 294.414 3.141 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000109787765 392374541 /nfs/dbraw/zinc/37/45/41/392374541.db2.gz UGGZBPHHYUOAJA-UHFFFAOYSA-N 1 3 294.414 3.141 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCCC(F)(F)F)c2ccccc21 ZINC000132211918 392459820 /nfs/dbraw/zinc/45/98/20/392459820.db2.gz OVFPDNKQESNJMF-VXGBXAGGSA-N 1 3 258.287 3.063 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cncs1 ZINC000158171672 392558264 /nfs/dbraw/zinc/55/82/64/392558264.db2.gz SYTOZPZTMKMQLJ-AWEZNQCLSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000158656360 392571888 /nfs/dbraw/zinc/57/18/88/392571888.db2.gz MLAYECRCXSZDTL-ZACQAIPSSA-N 1 3 289.467 3.490 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(OC)c1 ZINC000163232393 392603062 /nfs/dbraw/zinc/60/30/62/392603062.db2.gz QYMFFOJYHJNZSI-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232393 392603065 /nfs/dbraw/zinc/60/30/65/392603065.db2.gz QYMFFOJYHJNZSI-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(OC)c1 ZINC000163232393 392603069 /nfs/dbraw/zinc/60/30/69/392603069.db2.gz QYMFFOJYHJNZSI-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000178040107 392670047 /nfs/dbraw/zinc/67/00/47/392670047.db2.gz VZRYPVDUXWITHF-KKUMJFAQSA-N 1 3 296.480 3.288 20 0 CGADHO CO[C@@]1(C)C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000178208374 392675215 /nfs/dbraw/zinc/67/52/15/392675215.db2.gz HKYOXWRWWDKPRV-YOEHRIQHSA-N 1 3 282.472 3.043 20 0 CGADHO CC[C@H]1CN(Cc2cc(C)c3ncccc3c2)CC[C@H]1[NH3+] ZINC000647497307 392740855 /nfs/dbraw/zinc/74/08/55/392740855.db2.gz CKKFORRXLYIRHP-DOTOQJQBSA-N 1 3 283.419 3.102 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCc2cccc(C)c2)C1 ZINC000181135833 392721771 /nfs/dbraw/zinc/72/17/71/392721771.db2.gz ZMTOVEWYWDNSGR-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCc2cccc(C)c2)C1 ZINC000181135833 392721779 /nfs/dbraw/zinc/72/17/79/392721779.db2.gz ZMTOVEWYWDNSGR-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCCc2cccc(C)c2)C1 ZINC000181135833 392721786 /nfs/dbraw/zinc/72/17/86/392721786.db2.gz ZMTOVEWYWDNSGR-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCc2cccc(C)c2)C1 ZINC000181135833 392721790 /nfs/dbraw/zinc/72/17/90/392721790.db2.gz ZMTOVEWYWDNSGR-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)s1 ZINC000375887798 392837741 /nfs/dbraw/zinc/83/77/41/392837741.db2.gz JNEYITXWCRDUKC-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000375887798 392837745 /nfs/dbraw/zinc/83/77/45/392837745.db2.gz JNEYITXWCRDUKC-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000375887798 392837749 /nfs/dbraw/zinc/83/77/49/392837749.db2.gz JNEYITXWCRDUKC-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cc2c(cc1C)[C@H](NCC1=CC[NH2+]CC1)CCS2 ZINC000335502081 392796716 /nfs/dbraw/zinc/79/67/16/392796716.db2.gz UXMJRELFLQAUHJ-MRXNPFEDSA-N 1 3 288.460 3.350 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCN1CCCC1 ZINC000510664970 392808494 /nfs/dbraw/zinc/80/84/94/392808494.db2.gz BDYSNZFEGLDEAA-CQSZACIVSA-N 1 3 296.405 3.361 20 0 CGADHO CN(C)[C@@H](CNc1[nH+]ccc2[nH]ccc21)c1cccc(F)c1 ZINC000647847269 392813327 /nfs/dbraw/zinc/81/33/27/392813327.db2.gz CEUOJVQVPSTNKP-INIZCTEOSA-N 1 3 298.365 3.417 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1C ZINC000647881218 392823496 /nfs/dbraw/zinc/82/34/96/392823496.db2.gz VIILFGNLIMDDHC-DOTOQJQBSA-N 1 3 258.409 3.050 20 0 CGADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000647890819 392828836 /nfs/dbraw/zinc/82/88/36/392828836.db2.gz YZHIJKTUTONOIA-JFIYKMOQSA-N 1 3 272.436 3.112 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000519779943 392893500 /nfs/dbraw/zinc/89/35/00/392893500.db2.gz SOPQQHRDJNEXBW-UONOGXRCSA-N 1 3 282.378 3.147 20 0 CGADHO CC[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@@H]1N ZINC000381011749 392905933 /nfs/dbraw/zinc/90/59/33/392905933.db2.gz MBQIWYOSDHFNNQ-GJZGRUSLSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@@H]1N ZINC000381011749 392905937 /nfs/dbraw/zinc/90/59/37/392905937.db2.gz MBQIWYOSDHFNNQ-GJZGRUSLSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@H]1CN(CC2CCC(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000381011749 392905940 /nfs/dbraw/zinc/90/59/40/392905940.db2.gz MBQIWYOSDHFNNQ-GJZGRUSLSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000381831573 392915608 /nfs/dbraw/zinc/91/56/08/392915608.db2.gz GGQALNKVQNGNMZ-MFYFJRRASA-N 1 3 276.468 3.418 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376029537 392854887 /nfs/dbraw/zinc/85/48/87/392854887.db2.gz ORTQWLHJESGBHI-RWBZWWBESA-N 1 3 290.426 3.363 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000392218075 392929414 /nfs/dbraw/zinc/92/94/14/392929414.db2.gz WPTYEJLICPVNGN-HNNXBMFYSA-N 1 3 250.430 3.197 20 0 CGADHO CC[C@@H]1CCC[C@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571538 392938526 /nfs/dbraw/zinc/93/85/26/392938526.db2.gz PEXWXWJZSBZFJA-VPEURPPWSA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@@H]1Cc2ccccc2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000342353703 392999887 /nfs/dbraw/zinc/99/98/87/392999887.db2.gz DZCVCIXIEVWOCL-MSOLQXFVSA-N 1 3 272.436 3.308 20 0 CGADHO CC[C@@H]1Cc2ccccc2CN1CC[C@@H]1CCC[N@H+]1C ZINC000342353703 392999891 /nfs/dbraw/zinc/99/98/91/392999891.db2.gz DZCVCIXIEVWOCL-MSOLQXFVSA-N 1 3 272.436 3.308 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648433226 393013989 /nfs/dbraw/zinc/01/39/89/393013989.db2.gz MTLRCDFJRMJAMJ-LPHOPBHVSA-N 1 3 286.463 3.256 20 0 CGADHO C[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(C)(C)O ZINC000648439964 393017545 /nfs/dbraw/zinc/01/75/45/393017545.db2.gz XNFOEFPGSVOQJK-AWEZNQCLSA-N 1 3 298.515 3.415 20 0 CGADHO C[C@H]([NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)C(C)(C)O ZINC000648439964 393017549 /nfs/dbraw/zinc/01/75/49/393017549.db2.gz XNFOEFPGSVOQJK-AWEZNQCLSA-N 1 3 298.515 3.415 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000545949847 393019154 /nfs/dbraw/zinc/01/91/54/393019154.db2.gz WVSCQRZMXKLXDG-HZPDHXFCSA-N 1 3 250.430 3.197 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000343436603 393028177 /nfs/dbraw/zinc/02/81/77/393028177.db2.gz BYEDBKLNBQYMCQ-LJIGWXMPSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000343436603 393028186 /nfs/dbraw/zinc/02/81/86/393028186.db2.gz BYEDBKLNBQYMCQ-LJIGWXMPSA-N 1 3 282.472 3.043 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414990103 393082855 /nfs/dbraw/zinc/08/28/55/393082855.db2.gz ORLDEXGXUJCCIT-KKUMJFAQSA-N 1 3 266.816 3.303 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2ccc(F)cc2Cl)C1 ZINC000415006019 393089081 /nfs/dbraw/zinc/08/90/81/393089081.db2.gz ZVNWTQCFYBRLRC-GXFFZTMASA-N 1 3 270.779 3.086 20 0 CGADHO C[C@H](CCC[NH3+])NCc1csc(-c2cccs2)n1 ZINC000415015243 393097034 /nfs/dbraw/zinc/09/70/34/393097034.db2.gz AQMIDJFRTYPKID-SNVBAGLBSA-N 1 3 281.450 3.089 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000415017648 393098526 /nfs/dbraw/zinc/09/85/26/393098526.db2.gz QISREIXJMUEUND-UONOGXRCSA-N 1 3 284.403 3.188 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1cc(Cl)ccc1F ZINC000415022488 393099676 /nfs/dbraw/zinc/09/96/76/393099676.db2.gz ZSPBPCXRYYBYGA-SNVBAGLBSA-N 1 3 258.768 3.086 20 0 CGADHO Cc1cc(F)c(CN[C@@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415019403 393100103 /nfs/dbraw/zinc/10/01/03/393100103.db2.gz VSDACQAEGXAOSC-NSHDSACASA-N 1 3 272.795 3.395 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@@H]1N ZINC000414654624 393050193 /nfs/dbraw/zinc/05/01/93/393050193.db2.gz GHUUIQXYSQWGED-BGTYHANMSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@@H]1N ZINC000414654624 393050196 /nfs/dbraw/zinc/05/01/96/393050196.db2.gz GHUUIQXYSQWGED-BGTYHANMSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1CN([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000414654624 393050199 /nfs/dbraw/zinc/05/01/99/393050199.db2.gz GHUUIQXYSQWGED-BGTYHANMSA-N 1 3 272.436 3.166 20 0 CGADHO CCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246960448 393067915 /nfs/dbraw/zinc/06/79/15/393067915.db2.gz UXOLYCVQZQQPIM-GOEBONIOSA-N 1 3 250.430 3.125 20 0 CGADHO CCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246960448 393067921 /nfs/dbraw/zinc/06/79/21/393067921.db2.gz UXOLYCVQZQQPIM-GOEBONIOSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCNCC1(C)C)c1cccc(Cl)c1 ZINC000414963929 393069213 /nfs/dbraw/zinc/06/92/13/393069213.db2.gz DMCPSBFSYMTQED-WFASDCNBSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](CN[C@H]1CC[NH2+]CC1(C)C)c1cccc(Cl)c1 ZINC000414963929 393069223 /nfs/dbraw/zinc/06/92/23/393069223.db2.gz DMCPSBFSYMTQED-WFASDCNBSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H]1NCCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964446 393070031 /nfs/dbraw/zinc/07/00/31/393070031.db2.gz YLMLDXYWGGVHHS-SUMWQHHRSA-N 1 3 254.377 3.070 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000414967155 393071381 /nfs/dbraw/zinc/07/13/81/393071381.db2.gz GWPUUUJUUICPKD-OAHLLOKOSA-N 1 3 298.833 3.389 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCCCc1c(F)cccc1Cl ZINC000414967155 393071386 /nfs/dbraw/zinc/07/13/86/393071386.db2.gz GWPUUUJUUICPKD-OAHLLOKOSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)Cc1ccccc1 ZINC000415054262 393116609 /nfs/dbraw/zinc/11/66/09/393116609.db2.gz PQEFFSABCQCKHH-FFZOFVMBSA-N 1 3 294.442 3.210 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251190512 393117297 /nfs/dbraw/zinc/11/72/97/393117297.db2.gz SMVZLGNVZAKXRW-ILXRZTDVSA-N 1 3 250.430 3.172 20 0 CGADHO [NH3+]CCC[C@H](NCc1cccs1)c1ccccc1 ZINC000415055407 393117384 /nfs/dbraw/zinc/11/73/84/393117384.db2.gz OUBSPKJYGALWAR-HNNXBMFYSA-N 1 3 260.406 3.318 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415075771 393131759 /nfs/dbraw/zinc/13/17/59/393131759.db2.gz AEYPSWVNFAWLNP-CVEARBPZSA-N 1 3 274.452 3.393 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000415077122 393132488 /nfs/dbraw/zinc/13/24/88/393132488.db2.gz DVRXMDBUBOWCSN-OAGGEKHMSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+]CCOc1ccc2ccccc2c1 ZINC000415079486 393133622 /nfs/dbraw/zinc/13/36/22/393133622.db2.gz HUWXISNGIXTKFC-QGZVFWFLSA-N 1 3 286.419 3.182 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+]CCOc1cccc2ccccc21 ZINC000415082249 393136542 /nfs/dbraw/zinc/13/65/42/393136542.db2.gz CXQSVUHCCPVNQX-MRXNPFEDSA-N 1 3 286.419 3.182 20 0 CGADHO CCC[N@H+](C[C@H]1CCCNC1)[C@H]1CCc2ccccc21 ZINC000261659631 393141515 /nfs/dbraw/zinc/14/15/15/393141515.db2.gz ZARAXXIRGJJIIG-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@@H+](C[C@H]1CCCNC1)[C@H]1CCc2ccccc21 ZINC000261659631 393141520 /nfs/dbraw/zinc/14/15/20/393141520.db2.gz ZARAXXIRGJJIIG-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000261573479 393141723 /nfs/dbraw/zinc/14/17/23/393141723.db2.gz AQXSORRWKNHVGF-JKIFEVAISA-N 1 3 260.425 3.459 20 0 CGADHO C[C@H](N[C@@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000415100779 393144516 /nfs/dbraw/zinc/14/45/16/393144516.db2.gz IASWVAXVZIYYNH-JLJPHGGASA-N 1 3 258.409 3.042 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@H]1CCCNC1 ZINC000415100779 393144523 /nfs/dbraw/zinc/14/45/23/393144523.db2.gz IASWVAXVZIYYNH-JLJPHGGASA-N 1 3 258.409 3.042 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000415115108 393149246 /nfs/dbraw/zinc/14/92/46/393149246.db2.gz UECRTFNEZXSNTL-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000415115108 393149250 /nfs/dbraw/zinc/14/92/50/393149250.db2.gz UECRTFNEZXSNTL-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO CCCc1cccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415127370 393152610 /nfs/dbraw/zinc/15/26/10/393152610.db2.gz MUUKQKLDFFRNAR-WMLDXEAASA-N 1 3 260.425 3.056 20 0 CGADHO c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130164 393153398 /nfs/dbraw/zinc/15/33/98/393153398.db2.gz WDEVNZCADLHOLN-AEFFLSMTSA-N 1 3 284.447 3.256 20 0 CGADHO c1ccc([C@@H]2C[N@H+](C[C@@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130164 393153403 /nfs/dbraw/zinc/15/34/03/393153403.db2.gz WDEVNZCADLHOLN-AEFFLSMTSA-N 1 3 284.447 3.256 20 0 CGADHO c1ccc2c(c1)nccc2N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201393 285526223 /nfs/dbraw/zinc/52/62/23/285526223.db2.gz WNRBZRCXLBTKRR-MRXNPFEDSA-N 1 3 281.403 3.203 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4cnccc43)C2)C1 ZINC000646243297 393246252 /nfs/dbraw/zinc/24/62/52/393246252.db2.gz YIXVSRJAEOMYST-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc4cnccc43)C2)C1 ZINC000646243297 393246258 /nfs/dbraw/zinc/24/62/58/393246258.db2.gz YIXVSRJAEOMYST-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000271855851 393255238 /nfs/dbraw/zinc/25/52/38/393255238.db2.gz JJNQHTFRYYWMRB-HNNXBMFYSA-N 1 3 272.436 3.204 20 0 CGADHO CCc1cccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000469729051 393210225 /nfs/dbraw/zinc/21/02/25/393210225.db2.gz NWTVHJCSOGILNX-CRAIPNDOSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1cccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000469729051 393210233 /nfs/dbraw/zinc/21/02/33/393210233.db2.gz NWTVHJCSOGILNX-CRAIPNDOSA-N 1 3 274.452 3.411 20 0 CGADHO CCSc1cccc(C[NH2+]CC2=CCN(C)CC2)c1 ZINC000274450006 393284602 /nfs/dbraw/zinc/28/46/02/393284602.db2.gz QPBFYTASUSZRAG-UHFFFAOYSA-N 1 3 276.449 3.150 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H](C)CC[NH+](C)C ZINC000474048424 393338950 /nfs/dbraw/zinc/33/89/50/393338950.db2.gz SBHUSOPQYJTVHY-GUYCJALGSA-N 1 3 290.451 3.347 20 0 CGADHO C[C@H](C[NH2+]C1CCC(F)(F)CC1)CN1CCCCC1 ZINC000647172639 393368244 /nfs/dbraw/zinc/36/82/44/393368244.db2.gz BMEUVCZQLSXBQW-CYBMUJFWSA-N 1 3 274.399 3.276 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647179574 393373226 /nfs/dbraw/zinc/37/32/26/393373226.db2.gz FLSCRUVIQRUGPK-CYBMUJFWSA-N 1 3 274.399 3.274 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420380999 393480916 /nfs/dbraw/zinc/48/09/16/393480916.db2.gz ROOCRCZHNISRGJ-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO CC[C@H](NCC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000420391417 393481778 /nfs/dbraw/zinc/48/17/78/393481778.db2.gz AVMKYUFKHQQFEA-NHYWBVRUSA-N 1 3 268.351 3.005 20 0 CGADHO Fc1ccc(CC[NH2+]CCCN2CCCC2)c(Cl)c1 ZINC000356441011 393445273 /nfs/dbraw/zinc/44/52/73/393445273.db2.gz RDNCSBJONLNZOY-UHFFFAOYSA-N 1 3 284.806 3.097 20 0 CGADHO Fc1ccc(CCNCCC[NH+]2CCCC2)c(Cl)c1 ZINC000356441011 393445276 /nfs/dbraw/zinc/44/52/76/393445276.db2.gz RDNCSBJONLNZOY-UHFFFAOYSA-N 1 3 284.806 3.097 20 0 CGADHO CCC[C@@H]1CCCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296370 393452882 /nfs/dbraw/zinc/45/28/82/393452882.db2.gz DKJGAHKRCCREDS-WBVHZDCISA-N 1 3 290.451 3.250 20 0 CGADHO CC[C@@H](OCC[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000649530717 393468164 /nfs/dbraw/zinc/46/81/64/393468164.db2.gz GDXYGZRQNQCKLE-FUHWJXTLSA-N 1 3 290.451 3.038 20 0 CGADHO CC[C@@H](OCC[N@H+]1CC[C@@H](CN(C)C)C1)c1ccccc1 ZINC000649530717 393468166 /nfs/dbraw/zinc/46/81/66/393468166.db2.gz GDXYGZRQNQCKLE-FUHWJXTLSA-N 1 3 290.451 3.038 20 0 CGADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359633 393473359 /nfs/dbraw/zinc/47/33/59/393473359.db2.gz GFRXHGGQYZMIJD-GYSYKLTISA-N 1 3 286.341 3.182 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000429554378 393476597 /nfs/dbraw/zinc/47/65/97/393476597.db2.gz JEVLBPZRVNJUDV-LPHOPBHVSA-N 1 3 286.463 3.208 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000429554378 393476603 /nfs/dbraw/zinc/47/66/03/393476603.db2.gz JEVLBPZRVNJUDV-LPHOPBHVSA-N 1 3 286.463 3.208 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375482 393478577 /nfs/dbraw/zinc/47/85/77/393478577.db2.gz PMLGXNWXXYXJDJ-YGRLFVJLSA-N 1 3 297.240 3.227 20 0 CGADHO c1ccc([C@H](CC2CCC2)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000420421707 393486859 /nfs/dbraw/zinc/48/68/59/393486859.db2.gz YRTXTIBJEBUWEU-WBVHZDCISA-N 1 3 258.409 3.117 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCSC3)CC2)C1 ZINC000358172319 393520648 /nfs/dbraw/zinc/52/06/48/393520648.db2.gz ILGVVMRJKBPUSD-FVQBIDKESA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCSC3)CC2)C1 ZINC000358172319 393520652 /nfs/dbraw/zinc/52/06/52/393520652.db2.gz ILGVVMRJKBPUSD-FVQBIDKESA-N 1 3 282.497 3.125 20 0 CGADHO CCC1(CC)[C@H](NC2CC([NH+]3CCCCC3)C2)C[C@H]1OC ZINC000359046017 393535267 /nfs/dbraw/zinc/53/52/67/393535267.db2.gz KPZGFIPYUPYBHB-BHUNQDJPSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCOc2cccc3ccccc32)C1 ZINC000430572199 393576821 /nfs/dbraw/zinc/57/68/21/393576821.db2.gz NPJXBVHXALHSRA-NVXWUHKLSA-N 1 3 298.430 3.278 20 0 CGADHO Clc1cscc1CNCCC[C@H]1CCC[NH2+]1 ZINC000666903295 542824765 /nfs/dbraw/zinc/82/47/65/542824765.db2.gz RJIGCNZHIKKXJO-NSHDSACASA-N 1 3 258.818 3.023 20 0 CGADHO CCc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422752898 393642873 /nfs/dbraw/zinc/64/28/73/393642873.db2.gz HUAJORGDZWJAIO-QRVBRYPASA-N 1 3 286.463 3.302 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000422843052 393644658 /nfs/dbraw/zinc/64/46/58/393644658.db2.gz GUMAYFVKMWAGLH-DOTOQJQBSA-N 1 3 274.452 3.244 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1cccc(Cl)c1F ZINC000423049288 393649010 /nfs/dbraw/zinc/64/90/10/393649010.db2.gz JVCXOTCUNIGTGI-RISCZKNCSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1F ZINC000423049288 393649011 /nfs/dbraw/zinc/64/90/11/393649011.db2.gz JVCXOTCUNIGTGI-RISCZKNCSA-N 1 3 298.833 3.474 20 0 CGADHO C[C@H]1CCC[C@@H](C[NH2+][C@H]2CCNCC[C@H]2C)[C@H]1C ZINC000423096730 393650351 /nfs/dbraw/zinc/65/03/51/393650351.db2.gz PRJFZRADYMRADT-QRJUGERDSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423228345 393654720 /nfs/dbraw/zinc/65/47/20/393654720.db2.gz ZFNFXXQLSKAJQY-GBIKHYSHSA-N 1 3 297.240 3.324 20 0 CGADHO C(C[NH2+][C@@H]1CCC12CCC2)NC1CCCCCC1 ZINC000423264630 393658049 /nfs/dbraw/zinc/65/80/49/393658049.db2.gz AKDMNQPTKZOZDQ-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)(N)C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423288916 393659412 /nfs/dbraw/zinc/65/94/12/393659412.db2.gz VRQWOKPUASUQDC-CYBMUJFWSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000423384480 393665818 /nfs/dbraw/zinc/66/58/18/393665818.db2.gz QGHCKAIVGYXVFL-MBNYWOFBSA-N 1 3 278.465 3.418 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423405841 393666612 /nfs/dbraw/zinc/66/66/12/393666612.db2.gz UBSULKJBPFCEGW-CJQNXBEJSA-N 1 3 292.389 3.331 20 0 CGADHO C[C@H](CCC[NH3+])NCc1c(Cl)cccc1OC(F)F ZINC000666941479 542827578 /nfs/dbraw/zinc/82/75/78/542827578.db2.gz FFLZMQPHTDLVIR-SECBINFHSA-N 1 3 292.757 3.158 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCCN1C ZINC000445904334 393834760 /nfs/dbraw/zinc/83/47/60/393834760.db2.gz PSQILVOGKXJTHE-NWDGAFQWSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)NCC[C@@H]1CCC[N@@H+]1C ZINC000445904334 393834766 /nfs/dbraw/zinc/83/47/66/393834766.db2.gz PSQILVOGKXJTHE-NWDGAFQWSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)NCC[C@@H]1CCC[N@H+]1C ZINC000445904334 393834770 /nfs/dbraw/zinc/83/47/70/393834770.db2.gz PSQILVOGKXJTHE-NWDGAFQWSA-N 1 3 266.351 3.037 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000494995964 393777179 /nfs/dbraw/zinc/77/71/79/393777179.db2.gz MXHXGQICCFWSIT-YCCFLXJFSA-N 1 3 264.457 3.274 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666993890 542832699 /nfs/dbraw/zinc/83/26/99/542832699.db2.gz QYINTDGANITHGP-RBSFLKMASA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995697 542833971 /nfs/dbraw/zinc/83/39/71/542833971.db2.gz WRMVYUOODLCQPH-WBVHZDCISA-N 1 3 272.436 3.272 20 0 CGADHO Cc1cc(C)cc(C[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000666998137 542834879 /nfs/dbraw/zinc/83/48/79/542834879.db2.gz DXIFXVVCXKNXHK-INIZCTEOSA-N 1 3 258.409 3.068 20 0 CGADHO CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000548488576 289009027 /nfs/dbraw/zinc/00/90/27/289009027.db2.gz PFBNASNQCXSQML-OWCLPIDISA-N 1 3 252.446 3.419 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC000450472566 393998092 /nfs/dbraw/zinc/99/80/92/393998092.db2.gz LTPNHLBILLPFSA-VTSXBNNFSA-N 1 3 272.436 3.364 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC000450472566 393998094 /nfs/dbraw/zinc/99/80/94/393998094.db2.gz LTPNHLBILLPFSA-VTSXBNNFSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450472566 393998101 /nfs/dbraw/zinc/99/81/01/393998101.db2.gz LTPNHLBILLPFSA-VTSXBNNFSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450472566 393998105 /nfs/dbraw/zinc/99/81/05/393998105.db2.gz LTPNHLBILLPFSA-VTSXBNNFSA-N 1 3 272.436 3.364 20 0 CGADHO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000451405763 394045093 /nfs/dbraw/zinc/04/50/93/394045093.db2.gz ISQIWSIKDJSDFD-UPJWGTAASA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000451405763 394045094 /nfs/dbraw/zinc/04/50/94/394045094.db2.gz ISQIWSIKDJSDFD-UPJWGTAASA-N 1 3 278.362 3.134 20 0 CGADHO CCn1ccnc1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000453119651 394178038 /nfs/dbraw/zinc/17/80/38/394178038.db2.gz MIYZJHFWDHXQNS-INIZCTEOSA-N 1 3 292.471 3.210 20 0 CGADHO CCC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000453082694 394165306 /nfs/dbraw/zinc/16/53/06/394165306.db2.gz MEXAFIKCSJUOJE-SOLBZPMBSA-N 1 3 296.499 3.434 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCN(CCC)C1)C1CCC1 ZINC000453102887 394171850 /nfs/dbraw/zinc/17/18/50/394171850.db2.gz VXKQERQOPQGNNM-HOCLYGCPSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453104359 394173086 /nfs/dbraw/zinc/17/30/86/394173086.db2.gz ZIGPCIOBZQGOLW-YOEHRIQHSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cn[nH]c1 ZINC000453165536 394193505 /nfs/dbraw/zinc/19/35/05/394193505.db2.gz GABMFONSKKJPAK-OOHWJJMZSA-N 1 3 290.455 3.103 20 0 CGADHO C[C@H](c1ccccc1Cl)N1CCC(OCCC[NH3+])CC1 ZINC000094069808 299654308 /nfs/dbraw/zinc/65/43/08/299654308.db2.gz IKKGNLLTVMZFBM-CYBMUJFWSA-N 1 3 296.842 3.231 20 0 CGADHO COC1(C[C@H](C)[NH2+]CCCN2CCC(C)CC2)CCC1 ZINC000429361654 292125409 /nfs/dbraw/zinc/12/54/09/292125409.db2.gz KOXZAWLFRGCIEJ-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(Cl)s1 ZINC000650718876 397901505 /nfs/dbraw/zinc/90/15/05/397901505.db2.gz ZSFARGXCAWFMFJ-UHFFFAOYSA-N 1 3 280.824 3.411 20 0 CGADHO CC[C@H](OCC[NH2+][C@H](C)[C@H]1CCCCN1)c1ccccc1 ZINC000650742179 397905159 /nfs/dbraw/zinc/90/51/59/397905159.db2.gz SINOBCWFLJOGTE-NXHRZFHOSA-N 1 3 290.451 3.275 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2ccc(OC)cc21 ZINC000650758499 397910692 /nfs/dbraw/zinc/91/06/92/397910692.db2.gz QUTYCNSSZFQDFC-IBGZPJMESA-N 1 3 296.414 3.192 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(F)c1 ZINC000650759788 397911070 /nfs/dbraw/zinc/91/10/70/397911070.db2.gz QBSDOLAEYBPDFJ-CYBMUJFWSA-N 1 3 272.367 3.396 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCCC1CC[NH2+]CC1 ZINC000650764410 397913608 /nfs/dbraw/zinc/91/36/08/397913608.db2.gz XUAINFHEXPQIEI-LBPRGKRZSA-N 1 3 296.842 3.389 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000675751921 543360398 /nfs/dbraw/zinc/36/03/98/543360398.db2.gz GJZFTJOSYGKVPU-XHSDSOJGSA-N 1 3 250.430 3.338 20 0 CGADHO CCN(Cc1ccc(O)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000678222790 543496515 /nfs/dbraw/zinc/49/65/15/543496515.db2.gz HBULHLAIICNPRF-UHFFFAOYSA-N 1 3 298.430 3.476 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000678590109 543538373 /nfs/dbraw/zinc/53/83/73/543538373.db2.gz ZADSRUNETHEBFG-ROUUACIJSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000678590109 543538375 /nfs/dbraw/zinc/53/83/75/543538375.db2.gz ZADSRUNETHEBFG-ROUUACIJSA-N 1 3 286.463 3.472 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@H]1CCC[NH2+]C1 ZINC000423215347 292297750 /nfs/dbraw/zinc/29/77/50/292297750.db2.gz QLXOXOKRNDGUKY-KSSFIOAISA-N 1 3 297.446 3.443 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCCNC1 ZINC000423215347 292297751 /nfs/dbraw/zinc/29/77/51/292297751.db2.gz QLXOXOKRNDGUKY-KSSFIOAISA-N 1 3 297.446 3.443 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000253131377 298384789 /nfs/dbraw/zinc/38/47/89/298384789.db2.gz WKWAESJTNIHCIG-UPJWGTAASA-N 1 3 278.362 3.324 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)CN1CCCCC1 ZINC000187033435 286876360 /nfs/dbraw/zinc/87/63/60/286876360.db2.gz DPBOHTQLXIJTND-GJZGRUSLSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H](C[NH2+][C@H](C)C1CCCCC1)CN1CCCC1 ZINC000062078668 286959876 /nfs/dbraw/zinc/95/98/76/286959876.db2.gz IYWPXJZAYJPPJO-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)[C@H]1CCCNC1 ZINC000423212907 287046660 /nfs/dbraw/zinc/04/66/60/287046660.db2.gz JEKOZINYYHWDDR-LZWOXQAQSA-N 1 3 252.446 3.323 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)c1sccc1C ZINC000070089734 165053046 /nfs/dbraw/zinc/05/30/46/165053046.db2.gz FPENKIKIIBQMLY-CYBMUJFWSA-N 1 3 254.443 3.439 20 0 CGADHO CCC[NH+]1CCC(N(C)Cc2cccc3[nH]ccc32)CC1 ZINC000092165949 165281950 /nfs/dbraw/zinc/28/19/50/165281950.db2.gz AYWLWUQIPRXDPE-UHFFFAOYSA-N 1 3 285.435 3.474 20 0 CGADHO CCc1ccc(CN2CCC(CC[NH+](C)C)CC2)o1 ZINC000092381112 165295207 /nfs/dbraw/zinc/29/52/07/165295207.db2.gz RFHRRURVPACWMR-UHFFFAOYSA-N 1 3 264.413 3.006 20 0 CGADHO c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(C2CC2)c1 ZINC000094519070 165351882 /nfs/dbraw/zinc/35/18/82/165351882.db2.gz VZNCQGHXXKYCOE-HNNXBMFYSA-N 1 3 270.420 3.138 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCOCC1 ZINC000261672103 165823491 /nfs/dbraw/zinc/82/34/91/165823491.db2.gz LLYVLRCHGUWGEU-IXDOHACOSA-N 1 3 294.483 3.094 20 0 CGADHO CCC[NH+]1CCC(N(C)CCc2ccc(C)cc2)CC1 ZINC000124766953 287236853 /nfs/dbraw/zinc/23/68/53/287236853.db2.gz JYKHXIOBMCEAJJ-UHFFFAOYSA-N 1 3 274.452 3.344 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(OC)cc1 ZINC000020129088 171016703 /nfs/dbraw/zinc/01/67/03/171016703.db2.gz GGJPXFKEYPYWSI-KRWDZBQOSA-N 1 3 276.424 3.222 20 0 CGADHO CCN1CCN(c2ccccc2C[N@H+](CC)C(C)C)CC1 ZINC000126379339 287263219 /nfs/dbraw/zinc/26/32/19/287263219.db2.gz MZFSHEBKMXDGLS-UHFFFAOYSA-N 1 3 289.467 3.059 20 0 CGADHO CCN1CCN(c2ccccc2C[N@@H+](CC)C(C)C)CC1 ZINC000126379339 287263220 /nfs/dbraw/zinc/26/32/20/287263220.db2.gz MZFSHEBKMXDGLS-UHFFFAOYSA-N 1 3 289.467 3.059 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000035112924 171985954 /nfs/dbraw/zinc/98/59/54/171985954.db2.gz JLVWVORGBCGZPS-ZDUSSCGKSA-N 1 3 278.440 3.500 20 0 CGADHO C[C@@H](CCc1ccco1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000035112924 171985955 /nfs/dbraw/zinc/98/59/55/171985955.db2.gz JLVWVORGBCGZPS-ZDUSSCGKSA-N 1 3 278.440 3.500 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000126557814 287267732 /nfs/dbraw/zinc/26/77/32/287267732.db2.gz APIYYRQPOMSGKQ-IXDOHACOSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000126557814 287267734 /nfs/dbraw/zinc/26/77/34/287267734.db2.gz APIYYRQPOMSGKQ-IXDOHACOSA-N 1 3 290.838 3.024 20 0 CGADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1C ZINC000037408338 173184999 /nfs/dbraw/zinc/18/49/99/173184999.db2.gz QMZZBNCSNXQPDK-INIZCTEOSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037408338 173185001 /nfs/dbraw/zinc/18/50/01/173185001.db2.gz QMZZBNCSNXQPDK-INIZCTEOSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037408338 173185004 /nfs/dbraw/zinc/18/50/04/173185004.db2.gz QMZZBNCSNXQPDK-INIZCTEOSA-N 1 3 272.436 3.186 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1ccco1)CN1CCCCC1 ZINC000038041957 174044335 /nfs/dbraw/zinc/04/43/35/174044335.db2.gz GZYQTEVHSGHCJR-HZPDHXFCSA-N 1 3 278.440 3.312 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071612402 176232576 /nfs/dbraw/zinc/23/25/76/176232576.db2.gz IDCTZAHKDCJNSF-QZTJIDSGSA-N 1 3 272.436 3.211 20 0 CGADHO C[C@@H]1CCCN(Cc2ccnc3ccccc23)[C@H]1CC[NH3+] ZINC000404319554 416552548 /nfs/dbraw/zinc/55/25/48/416552548.db2.gz IOVCTCWEVNOUGG-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)[C@H]1CCN ZINC000404319554 416552553 /nfs/dbraw/zinc/55/25/53/416552553.db2.gz IOVCTCWEVNOUGG-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@H]1CCN ZINC000404319554 416552557 /nfs/dbraw/zinc/55/25/57/416552557.db2.gz IOVCTCWEVNOUGG-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](CCCOCc2ccccc2)[C@H]1CCN ZINC000404411886 416553631 /nfs/dbraw/zinc/55/36/31/416553631.db2.gz YIZAFGAFBCOAOS-WMZOPIPTSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@H]1CCN ZINC000404411886 416553635 /nfs/dbraw/zinc/55/36/35/416553635.db2.gz YIZAFGAFBCOAOS-WMZOPIPTSA-N 1 3 290.451 3.043 20 0 CGADHO c1ccc(C[N@H+]2CC=CCC2)c(CN2CC=CCC2)c1 ZINC000679322297 543617900 /nfs/dbraw/zinc/61/79/00/543617900.db2.gz ZSKJXPIXMGHFMW-UHFFFAOYSA-N 1 3 268.404 3.210 20 0 CGADHO c1ccc(C[N@@H+]2CC=CCC2)c(CN2CC=CCC2)c1 ZINC000679322297 543617903 /nfs/dbraw/zinc/61/79/03/543617903.db2.gz ZSKJXPIXMGHFMW-UHFFFAOYSA-N 1 3 268.404 3.210 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000130339152 287352546 /nfs/dbraw/zinc/35/25/46/287352546.db2.gz LMXTVDBJPMOCJS-RYQLBKOJSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130339152 287352547 /nfs/dbraw/zinc/35/25/47/287352547.db2.gz LMXTVDBJPMOCJS-RYQLBKOJSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)c(C)n1 ZINC000680636102 543721558 /nfs/dbraw/zinc/72/15/58/543721558.db2.gz YJCWHARXRZXDBI-HNNXBMFYSA-N 1 3 289.467 3.471 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000684374501 543988439 /nfs/dbraw/zinc/98/84/39/543988439.db2.gz QSSAVXCOZGNIAC-ZWKOTPCHSA-N 1 3 294.483 3.188 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1nccc3ccccc31)C2 ZINC000685443823 544070830 /nfs/dbraw/zinc/07/08/30/544070830.db2.gz RSXASDDNIJTWFW-SJPCQFCGSA-N 1 3 295.430 3.292 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1nccc3ccccc31)C2 ZINC000685443823 544070832 /nfs/dbraw/zinc/07/08/32/544070832.db2.gz RSXASDDNIJTWFW-SJPCQFCGSA-N 1 3 295.430 3.292 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741026 418936238 /nfs/dbraw/zinc/93/62/38/418936238.db2.gz WKBGUCPJBGCSOC-PBHICJAKSA-N 1 3 290.426 3.355 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740929 418936459 /nfs/dbraw/zinc/93/64/59/418936459.db2.gz UQVAZLOFZUPHKO-YOEHRIQHSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740929 418936463 /nfs/dbraw/zinc/93/64/63/418936463.db2.gz UQVAZLOFZUPHKO-YOEHRIQHSA-N 1 3 290.426 3.225 20 0 CGADHO CCc1c(C)[nH+]c2ccccc2c1N(C)CC1CN(C)C1 ZINC000664332101 418939729 /nfs/dbraw/zinc/93/97/29/418939729.db2.gz SVHJCWGOQGCHSL-UHFFFAOYSA-N 1 3 283.419 3.103 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000659974676 419049867 /nfs/dbraw/zinc/04/98/67/419049867.db2.gz OVTAIOAEIPQSLW-UKRRQHHQSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974676 419049872 /nfs/dbraw/zinc/04/98/72/419049872.db2.gz OVTAIOAEIPQSLW-UKRRQHHQSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000659974676 419049877 /nfs/dbraw/zinc/04/98/77/419049877.db2.gz OVTAIOAEIPQSLW-UKRRQHHQSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000659974676 419049882 /nfs/dbraw/zinc/04/98/82/419049882.db2.gz OVTAIOAEIPQSLW-UKRRQHHQSA-N 1 3 288.426 3.332 20 0 CGADHO C(CC1CCC1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659955786 419045577 /nfs/dbraw/zinc/04/55/77/419045577.db2.gz DDUUBSXHZCNDMO-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCC1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659955786 419045582 /nfs/dbraw/zinc/04/55/82/419045582.db2.gz DDUUBSXHZCNDMO-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCC1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659955786 419045584 /nfs/dbraw/zinc/04/55/84/419045584.db2.gz DDUUBSXHZCNDMO-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H](N[C@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]1 ZINC000665234167 419086493 /nfs/dbraw/zinc/08/64/93/419086493.db2.gz ZDSDXPSUBWOMBA-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CCCN1 ZINC000665234167 419086497 /nfs/dbraw/zinc/08/64/97/419086497.db2.gz ZDSDXPSUBWOMBA-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232881 419087360 /nfs/dbraw/zinc/08/73/60/419087360.db2.gz WWTPKUGISHFXRY-CYGHRXIMSA-N 1 3 287.451 3.086 20 0 CGADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1(N)CCCC1 ZINC000665246333 419090270 /nfs/dbraw/zinc/09/02/70/419090270.db2.gz BVJBFGMJWZDUDV-JKSUJKDBSA-N 1 3 288.435 3.094 20 0 CGADHO Cc1ccccc1C[C@@H](NCC1([NH3+])CCCC1)C1CC1 ZINC000665246588 419090467 /nfs/dbraw/zinc/09/04/67/419090467.db2.gz JJDLBDAGXUCRGE-QGZVFWFLSA-N 1 3 272.436 3.177 20 0 CGADHO C[C@H]1c2ccccc2C[C@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665244616 419091158 /nfs/dbraw/zinc/09/11/58/419091158.db2.gz RYRSXEPMKGRKND-FTNBBQJZSA-N 1 3 278.399 3.449 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(OC)cc1 ZINC000665249311 419092484 /nfs/dbraw/zinc/09/24/84/419092484.db2.gz MWYFOOYGEJNFNM-OAHLLOKOSA-N 1 3 262.397 3.007 20 0 CGADHO CC1(C)C[C@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665249054 419093075 /nfs/dbraw/zinc/09/30/75/419093075.db2.gz INLGHKITZJVRQK-HNNXBMFYSA-N 1 3 258.409 3.270 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274584 419098420 /nfs/dbraw/zinc/09/84/20/419098420.db2.gz UBFIYUICSYWLBQ-VVLHAWIVSA-N 1 3 258.409 3.040 20 0 CGADHO Clc1cccc([C@@H]2CC[C@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279418 419101359 /nfs/dbraw/zinc/10/13/59/419101359.db2.gz BXWOUNJCIQMKAK-PWDHUQTKSA-N 1 3 290.838 3.318 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000665282049 419102574 /nfs/dbraw/zinc/10/25/74/419102574.db2.gz POANIENTCCHKAY-HYVNUMGLSA-N 1 3 275.440 3.071 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000665282049 419102577 /nfs/dbraw/zinc/10/25/77/419102577.db2.gz POANIENTCCHKAY-HYVNUMGLSA-N 1 3 275.440 3.071 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1CCC[C@@H]1C[NH3+] ZINC000665283281 419102646 /nfs/dbraw/zinc/10/26/46/419102646.db2.gz KQHZTVOZVGJNMX-COXVUDFISA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1CN ZINC000665283281 419102647 /nfs/dbraw/zinc/10/26/47/419102647.db2.gz KQHZTVOZVGJNMX-COXVUDFISA-N 1 3 258.409 3.089 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)CC(F)(F)F ZINC000665301411 419112353 /nfs/dbraw/zinc/11/23/53/419112353.db2.gz XDPSKJMUXMWVJP-WDEREUQCSA-N 1 3 266.351 3.072 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655688282 419064812 /nfs/dbraw/zinc/06/48/12/419064812.db2.gz UZTMHKFXOYSGEU-MAUKXSAKSA-N 1 3 284.447 3.365 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688282 419064814 /nfs/dbraw/zinc/06/48/14/419064814.db2.gz UZTMHKFXOYSGEU-MAUKXSAKSA-N 1 3 284.447 3.365 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000656197764 419148897 /nfs/dbraw/zinc/14/88/97/419148897.db2.gz JDBVVRMYHXGIIE-GJZGRUSLSA-N 1 3 262.372 3.064 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000656197329 419149205 /nfs/dbraw/zinc/14/92/05/419149205.db2.gz ZLMSSXXKVFGJHQ-IRXDYDNUSA-N 1 3 272.436 3.358 20 0 CGADHO CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000656200667 419149330 /nfs/dbraw/zinc/14/93/30/419149330.db2.gz UFBJCGGOXNOTPF-BHYGNILZSA-N 1 3 290.451 3.123 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660654969 419177627 /nfs/dbraw/zinc/17/76/27/419177627.db2.gz JQPAWBFDSCAMFU-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654969 419177630 /nfs/dbraw/zinc/17/76/30/419177630.db2.gz JQPAWBFDSCAMFU-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO COc1ccc(C(C)C)cc1C[NH2+][C@@](C)(CN)C(C)C ZINC000655938398 419127635 /nfs/dbraw/zinc/12/76/35/419127635.db2.gz VCKUEJDSFWRACO-KRWDZBQOSA-N 1 3 278.440 3.282 20 0 CGADHO CC[C@@H]1C[C@H](NCc2ccc(C[NH+](CC)CC)cc2)CO1 ZINC000657297440 419245495 /nfs/dbraw/zinc/24/54/95/419245495.db2.gz NVFCZONQHCHBNK-ZWKOTPCHSA-N 1 3 290.451 3.186 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@H]2CCN(CC)C2)c(C)c1 ZINC000657315983 419248598 /nfs/dbraw/zinc/24/85/98/419248598.db2.gz WYIHGVOJWJSIFU-MRXNPFEDSA-N 1 3 290.451 3.215 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657335402 419253806 /nfs/dbraw/zinc/25/38/06/419253806.db2.gz PRAIOMCBFWLVQK-CYBMUJFWSA-N 1 3 289.448 3.116 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656788730 419220470 /nfs/dbraw/zinc/22/04/70/419220470.db2.gz BUBSPXDLWKVTII-IRXDYDNUSA-N 1 3 272.436 3.358 20 0 CGADHO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CNCC2 ZINC000662318869 419389240 /nfs/dbraw/zinc/38/92/40/419389240.db2.gz HZAGTRJCIYEELJ-CNUNBNKRSA-N 1 3 270.420 3.095 20 0 CGADHO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CNCC2 ZINC000662318869 419389243 /nfs/dbraw/zinc/38/92/43/419389243.db2.gz HZAGTRJCIYEELJ-CNUNBNKRSA-N 1 3 270.420 3.095 20 0 CGADHO CCCN(CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000662313175 419389909 /nfs/dbraw/zinc/38/99/09/419389909.db2.gz KNJWLRSCXCXUPM-OAHLLOKOSA-N 1 3 278.415 3.427 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320791 419390867 /nfs/dbraw/zinc/39/08/67/419390867.db2.gz DREXXFGPHGMIJV-WBVHZDCISA-N 1 3 264.457 3.278 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662320791 419390870 /nfs/dbraw/zinc/39/08/70/419390870.db2.gz DREXXFGPHGMIJV-WBVHZDCISA-N 1 3 264.457 3.278 20 0 CGADHO [NH3+]CC1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000662234759 419369721 /nfs/dbraw/zinc/36/97/21/419369721.db2.gz MMJDOICJGGNFEX-UHFFFAOYSA-N 1 3 284.856 3.103 20 0 CGADHO CN(CC[C@@H]1CCc2ccccc21)CC(C)(C)C[NH3+] ZINC000662248084 419373575 /nfs/dbraw/zinc/37/35/75/419373575.db2.gz SMZWBAUEQHNVPQ-HNNXBMFYSA-N 1 3 260.425 3.023 20 0 CGADHO C1CCC(N2CCC([NH2+][C@H]3CCCSCC3)CC2)C1 ZINC000657900294 419422036 /nfs/dbraw/zinc/42/20/36/419422036.db2.gz HIGGHCWXVCIRTE-AWEZNQCLSA-N 1 3 282.497 3.269 20 0 CGADHO Cc1ccsc1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663346998 419565375 /nfs/dbraw/zinc/56/53/75/419565375.db2.gz FCGIKCZYHVAXQP-HNNXBMFYSA-N 1 3 278.465 3.268 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663347883 419565442 /nfs/dbraw/zinc/56/54/42/419565442.db2.gz ZECBHVLKFSQIHO-OIISXLGYSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC12CC(C1)CN2 ZINC000663498216 419636021 /nfs/dbraw/zinc/63/60/21/419636021.db2.gz NJZCRJOZWVSLDZ-IFQILLTASA-N 1 3 284.856 3.064 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CN3)C[C@@H](c2ccccc2)C1 ZINC000663497130 419636597 /nfs/dbraw/zinc/63/65/97/419636597.db2.gz CHSBABVYHSWIPT-LJCNJHEESA-N 1 3 284.447 3.300 20 0 CGADHO C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663466055 419615640 /nfs/dbraw/zinc/61/56/40/419615640.db2.gz NORSTSBFSWZJOZ-IAGOWNOFSA-N 1 3 276.468 3.421 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCSCC1 ZINC000663464680 419617607 /nfs/dbraw/zinc/61/76/07/419617607.db2.gz FYKLFNCLQSBQTM-ZBFHGGJFSA-N 1 3 296.524 3.230 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)C(F)F ZINC000663466517 419619271 /nfs/dbraw/zinc/61/92/71/419619271.db2.gz UYSZLOWZIJDGTG-TZMCWYRMSA-N 1 3 288.426 3.378 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCC1 ZINC000663466510 419619379 /nfs/dbraw/zinc/61/93/79/419619379.db2.gz UYAAFGLDXNMZMP-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000663504515 419640779 /nfs/dbraw/zinc/64/07/79/419640779.db2.gz ZMFBLXMBMGDEGT-CPUCHLNUSA-N 1 3 258.409 3.232 20 0 CGADHO C[C@H]([NH2+]CC1=CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000658292854 419740935 /nfs/dbraw/zinc/74/09/35/419740935.db2.gz NNFKCAYDQORKPR-HNNXBMFYSA-N 1 3 288.435 3.388 20 0 CGADHO Fc1cccc(CCC[N@@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000182805749 262253869 /nfs/dbraw/zinc/25/38/69/262253869.db2.gz HDHFYKPEASGNES-QGZVFWFLSA-N 1 3 290.426 3.176 20 0 CGADHO Fc1cccc(CCC[N@H+]2CC[C@H](CN3CCCC3)C2)c1 ZINC000182805749 262253871 /nfs/dbraw/zinc/25/38/71/262253871.db2.gz HDHFYKPEASGNES-QGZVFWFLSA-N 1 3 290.426 3.176 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040621243 270029859 /nfs/dbraw/zinc/02/98/59/270029859.db2.gz CWHOMAYPJOZFMK-FUHWJXTLSA-N 1 3 274.452 3.328 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534294 270036606 /nfs/dbraw/zinc/03/66/06/270036606.db2.gz QUHAYZKDGFIYND-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534294 270036607 /nfs/dbraw/zinc/03/66/07/270036607.db2.gz QUHAYZKDGFIYND-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)CN1CCCC1 ZINC000328147001 270095275 /nfs/dbraw/zinc/09/52/75/270095275.db2.gz DGDABFPMSHDDSD-HZPDHXFCSA-N 1 3 264.457 3.421 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000527701877 270132558 /nfs/dbraw/zinc/13/25/58/270132558.db2.gz SNFMZJFEVHVBEL-IBGZPJMESA-N 1 3 295.430 3.002 20 0 CGADHO CCC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OCC ZINC000530215032 270195707 /nfs/dbraw/zinc/19/57/07/270195707.db2.gz ZOJFHGYLIXMBJU-YYIAUSFCSA-N 1 3 282.472 3.092 20 0 CGADHO Cc1cccc([C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C(C)C)c1 ZINC000530226842 270196869 /nfs/dbraw/zinc/19/68/69/270196869.db2.gz UDNWTWANGAYZTF-BHYGNILZSA-N 1 3 260.425 3.280 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000531694024 270208882 /nfs/dbraw/zinc/20/88/82/270208882.db2.gz UARJWLCCZPMXNC-QAPCUYQASA-N 1 3 290.451 3.041 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000531694024 270208883 /nfs/dbraw/zinc/20/88/83/270208883.db2.gz UARJWLCCZPMXNC-QAPCUYQASA-N 1 3 290.451 3.041 20 0 CGADHO CCS[C@@H]1CC[C@H](N(C)CCC[NH+](CC)CC)C1 ZINC000351470267 280053200 /nfs/dbraw/zinc/05/32/00/280053200.db2.gz BHEDYKVIISPQDF-LSDHHAIUSA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@@H]1CC[C@H]([N@H+](C)CCCN(CC)CC)C1 ZINC000351470267 280053202 /nfs/dbraw/zinc/05/32/02/280053202.db2.gz BHEDYKVIISPQDF-LSDHHAIUSA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCN(CC)CC)C1 ZINC000351470267 280053206 /nfs/dbraw/zinc/05/32/06/280053206.db2.gz BHEDYKVIISPQDF-LSDHHAIUSA-N 1 3 272.502 3.324 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233315 274392747 /nfs/dbraw/zinc/39/27/47/274392747.db2.gz KBXAIXSCWMOFRL-IIYDPXPESA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233315 274392749 /nfs/dbraw/zinc/39/27/49/274392749.db2.gz KBXAIXSCWMOFRL-IIYDPXPESA-N 1 3 276.399 3.275 20 0 CGADHO C(CN1CCCCC1)C[NH+]1CCC2(CCC2)CC1 ZINC000368617395 275391105 /nfs/dbraw/zinc/39/11/05/275391105.db2.gz HEKDVDHRDNDIPR-UHFFFAOYSA-N 1 3 250.430 3.129 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000251240749 287832479 /nfs/dbraw/zinc/83/24/79/287832479.db2.gz SDWUTBCSZBTIPL-HYVNUMGLSA-N 1 3 260.425 3.287 20 0 CGADHO C1CCC(N2CCC([NH2+]C3CCSCC3)CC2)CC1 ZINC000336606358 275736585 /nfs/dbraw/zinc/73/65/85/275736585.db2.gz SUKRGILJKAGINY-UHFFFAOYSA-N 1 3 282.497 3.269 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000414855315 275879130 /nfs/dbraw/zinc/87/91/30/275879130.db2.gz MSXFBPJMSQKTBB-PMPSAXMXSA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC12CCCC2 ZINC000423381163 276106680 /nfs/dbraw/zinc/10/66/80/276106680.db2.gz HTJFEMVHCBSERU-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000336518564 276118565 /nfs/dbraw/zinc/11/85/65/276118565.db2.gz JENDPBDZTXBCSL-OAHLLOKOSA-N 1 3 250.430 3.172 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289937268 276221682 /nfs/dbraw/zinc/22/16/82/276221682.db2.gz VYKSMNHZOMRNPI-LSDHHAIUSA-N 1 3 283.419 3.227 20 0 CGADHO CCN(CC)CCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000347532939 276323925 /nfs/dbraw/zinc/32/39/25/276323925.db2.gz FAWARNWTVANOFM-UHFFFAOYSA-N 1 3 262.388 3.228 20 0 CGADHO CCN(CC)CCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347532939 276323927 /nfs/dbraw/zinc/32/39/27/276323927.db2.gz FAWARNWTVANOFM-UHFFFAOYSA-N 1 3 262.388 3.228 20 0 CGADHO CC[NH+](CC)CCCN(C)C1CCC(F)(F)CC1 ZINC000347532939 276323928 /nfs/dbraw/zinc/32/39/28/276323928.db2.gz FAWARNWTVANOFM-UHFFFAOYSA-N 1 3 262.388 3.228 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176159 277073698 /nfs/dbraw/zinc/07/36/98/277073698.db2.gz IBHHUSXQWLPGMA-WBMJQRKESA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176159 277073700 /nfs/dbraw/zinc/07/37/00/277073700.db2.gz IBHHUSXQWLPGMA-WBMJQRKESA-N 1 3 294.389 3.274 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000414174193 277173435 /nfs/dbraw/zinc/17/34/35/277173435.db2.gz XVNANSCHZGFEOK-KSIDHJATSA-N 1 3 288.410 3.144 20 0 CGADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000414174193 277173438 /nfs/dbraw/zinc/17/34/38/277173438.db2.gz XVNANSCHZGFEOK-KSIDHJATSA-N 1 3 288.410 3.144 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000423255681 277282763 /nfs/dbraw/zinc/28/27/63/277282763.db2.gz ANLDZOWJFDHRDH-GMXVVIOVSA-N 1 3 252.427 3.132 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1C[C@H]1C ZINC000414118006 277615259 /nfs/dbraw/zinc/61/52/59/277615259.db2.gz UDMKJJVSOFOYJH-CKEIUWERSA-N 1 3 264.457 3.418 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@H]1COC(C)(C)C1 ZINC000396779038 288016495 /nfs/dbraw/zinc/01/64/95/288016495.db2.gz FFDVPZURIIDTJN-QGZVFWFLSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000396903398 288017951 /nfs/dbraw/zinc/01/79/51/288017951.db2.gz FIGDDESUUCCRKE-XDTLVQLUSA-N 1 3 272.314 3.309 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@]1(C)CCCS1 ZINC000227386474 278216500 /nfs/dbraw/zinc/21/65/00/278216500.db2.gz PTCKRIFYKSRRKB-QLFBSQMISA-N 1 3 270.486 3.173 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1csc(-c2ccccc2)n1 ZINC000422776934 278217954 /nfs/dbraw/zinc/21/79/54/278217954.db2.gz BHGIFVONCVNCQW-QWHCGFSZSA-N 1 3 289.448 3.068 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CC1(C)C ZINC000397561276 288024309 /nfs/dbraw/zinc/02/43/09/288024309.db2.gz ARQIPDMHCQOHSJ-BARDWOONSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCN)c1ccc(C(F)(F)F)cc1 ZINC000414893960 278283931 /nfs/dbraw/zinc/28/39/31/278283931.db2.gz KUKBBGOLMSQEKA-QWRGUYRKSA-N 1 3 274.330 3.136 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000414918620 278790048 /nfs/dbraw/zinc/79/00/48/278790048.db2.gz SLGWTXCRXGDYBO-XHSDSOJGSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000423370855 279027293 /nfs/dbraw/zinc/02/72/93/279027293.db2.gz DXOFVCAUNRPTCZ-UGUYLWEFSA-N 1 3 252.446 3.321 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000366964249 279094243 /nfs/dbraw/zinc/09/42/43/279094243.db2.gz SPLCCFLUZJYVHD-RCCFBDPRSA-N 1 3 296.499 3.124 20 0 CGADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000366964249 279094245 /nfs/dbraw/zinc/09/42/45/279094245.db2.gz SPLCCFLUZJYVHD-RCCFBDPRSA-N 1 3 296.499 3.124 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414852559 279253873 /nfs/dbraw/zinc/25/38/73/279253873.db2.gz KBPMQGYLHUJAAO-IIAWOOMASA-N 1 3 252.446 3.323 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000520618934 288135086 /nfs/dbraw/zinc/13/50/86/288135086.db2.gz CAOOHPRHGHETQM-MTCRFPMVSA-N 1 3 284.447 3.364 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000520618934 288135088 /nfs/dbraw/zinc/13/50/88/288135088.db2.gz CAOOHPRHGHETQM-MTCRFPMVSA-N 1 3 284.447 3.364 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000358036237 280010233 /nfs/dbraw/zinc/01/02/33/280010233.db2.gz KXUNIBYQJHATGF-FLXSYLCISA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423476972 280166337 /nfs/dbraw/zinc/16/63/37/280166337.db2.gz SZFATZQUGLOATA-CMPLNLGQSA-N 1 3 290.329 3.016 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccncc1 ZINC000453068427 280187007 /nfs/dbraw/zinc/18/70/07/280187007.db2.gz AHGPSCWYNMANBN-DOTOQJQBSA-N 1 3 275.440 3.387 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])Nc1ccccc1 ZINC000422978732 280254643 /nfs/dbraw/zinc/25/46/43/280254643.db2.gz KKMHZPWAMQMYJH-KSZLIROESA-N 1 3 289.467 3.373 20 0 CGADHO c1c2cccnc2oc1CNCCCCC[NH+]1CCCC1 ZINC000449345894 280462967 /nfs/dbraw/zinc/46/29/67/280462967.db2.gz XQRLUPFFGNSLMH-UHFFFAOYSA-N 1 3 287.407 3.184 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C1CCCCC1 ZINC000422883006 280967425 /nfs/dbraw/zinc/96/74/25/280967425.db2.gz UABHHYPHCZLXON-BMFZPTHFSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423395996 281125772 /nfs/dbraw/zinc/12/57/72/281125772.db2.gz SBWTYJPSCZSZCJ-HLLBOEOZSA-N 1 3 258.409 3.232 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000359616587 281270131 /nfs/dbraw/zinc/27/01/31/281270131.db2.gz GXBWYWPZSXLSRK-KRWDZBQOSA-N 1 3 258.409 3.058 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358140120 281272091 /nfs/dbraw/zinc/27/20/91/281272091.db2.gz WZWPTLYLBAAQMA-ZQIUZPCESA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358140120 281272092 /nfs/dbraw/zinc/27/20/92/281272092.db2.gz WZWPTLYLBAAQMA-ZQIUZPCESA-N 1 3 258.409 3.055 20 0 CGADHO CCc1cccnc1[C@@H](C)NCC1CC[NH+](C2CC2)CC1 ZINC000447566125 281462567 /nfs/dbraw/zinc/46/25/67/281462567.db2.gz QMNGSZXFDBCXCX-CQSZACIVSA-N 1 3 287.451 3.169 20 0 CGADHO CCC(CC)(CCO)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089056 282066440 /nfs/dbraw/zinc/06/64/40/282066440.db2.gz XFDRBCNQZCBNCK-JKSUJKDBSA-N 1 3 284.488 3.076 20 0 CGADHO C[C@H](C[NH2+]CCCN1CCCCC1)Cc1ccccc1 ZINC000544403926 288846067 /nfs/dbraw/zinc/84/60/67/288846067.db2.gz AYWZCGMGBWTGTK-KRWDZBQOSA-N 1 3 274.452 3.331 20 0 CGADHO CCCCOCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627613 289079735 /nfs/dbraw/zinc/07/97/35/289079735.db2.gz NHLWJTKHOWPAOB-ZWKOTPCHSA-N 1 3 290.451 3.228 20 0 CGADHO CCCCOCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550627613 289079738 /nfs/dbraw/zinc/07/97/38/289079738.db2.gz NHLWJTKHOWPAOB-ZWKOTPCHSA-N 1 3 290.451 3.228 20 0 CGADHO CCCCN1CCC([NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000551266778 289105917 /nfs/dbraw/zinc/10/59/17/289105917.db2.gz DXWDRTUGWJJAMA-AWEZNQCLSA-N 1 3 291.439 3.005 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCN1CCCC1 ZINC000552040216 289152561 /nfs/dbraw/zinc/15/25/61/289152561.db2.gz MKUUKKVWTCTCLN-AWEZNQCLSA-N 1 3 296.405 3.361 20 0 CGADHO Cc1cccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000552562179 289192765 /nfs/dbraw/zinc/19/27/65/289192765.db2.gz SSEPLYLIAADMBQ-UHFFFAOYSA-N 1 3 274.452 3.390 20 0 CGADHO Cc1cccc(CCNC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000552562179 289192766 /nfs/dbraw/zinc/19/27/66/289192766.db2.gz SSEPLYLIAADMBQ-UHFFFAOYSA-N 1 3 274.452 3.390 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879655 289316587 /nfs/dbraw/zinc/31/65/87/289316587.db2.gz ZDISNQOMXNYFPJ-LPHOPBHVSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879655 289316590 /nfs/dbraw/zinc/31/65/90/289316590.db2.gz ZDISNQOMXNYFPJ-LPHOPBHVSA-N 1 3 286.463 3.454 20 0 CGADHO CN1CCC(Oc2ccc(C[NH2+]CC3(C)CC3)cc2)CC1 ZINC000556431257 289391798 /nfs/dbraw/zinc/39/17/98/289391798.db2.gz SABKIGXCQCANCY-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000556893579 289419436 /nfs/dbraw/zinc/41/94/36/289419436.db2.gz VYGPVSPKANBFTJ-JYJNAYRXSA-N 1 3 252.446 3.275 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000559153690 289537715 /nfs/dbraw/zinc/53/77/15/289537715.db2.gz DWVLALHRJFTGEI-ADHGMGHFSA-N 1 3 296.499 3.433 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H](C)C1CCCCC1 ZINC000423371563 290009275 /nfs/dbraw/zinc/00/92/75/290009275.db2.gz GPFIDCFEHWXOEV-OCVGTWLNSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108278725 290243972 /nfs/dbraw/zinc/24/39/72/290243972.db2.gz MTBALKKTGWXVFA-XWIAVFTESA-N 1 3 266.388 3.052 20 0 CGADHO C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414993782 299873991 /nfs/dbraw/zinc/87/39/91/299873991.db2.gz CQDGTQBAIMAAFM-PLYYQAHHSA-N 1 3 290.426 3.297 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423457102 295242467 /nfs/dbraw/zinc/24/24/67/295242467.db2.gz FJBJXSMSLQVEKR-DOXZYTNZSA-N 1 3 298.430 3.304 20 0 CGADHO COc1ccc([C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C(C)C)cc1 ZINC000423385575 295246383 /nfs/dbraw/zinc/24/63/83/295246383.db2.gz RCSAOUNSMNFFJJ-JLJPHGGASA-N 1 3 276.424 3.122 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCCCC1(F)F ZINC000423148310 295296410 /nfs/dbraw/zinc/29/64/10/295296410.db2.gz UYFKEQHSVXDYKG-UPJWGTAASA-N 1 3 260.372 3.062 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000423376944 295313803 /nfs/dbraw/zinc/31/38/03/295313803.db2.gz JLKRVSUCYVTQMX-YCPHGPKFSA-N 1 3 262.372 3.063 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000422759625 302588858 /nfs/dbraw/zinc/58/88/58/302588858.db2.gz FVJDDTZSRLBQHP-BZPMIXESSA-N 1 3 275.440 3.324 20 0 CGADHO Fc1ccc(C2(NC[C@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000469974763 303129300 /nfs/dbraw/zinc/12/93/00/303129300.db2.gz RUEPZGCZFHIPMP-AWEZNQCLSA-N 1 3 276.399 3.184 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc2c(n1)CCC2 ZINC000564543222 322033687 /nfs/dbraw/zinc/03/36/87/322033687.db2.gz YWYFZNFQUQUTHQ-HNNXBMFYSA-N 1 3 289.467 3.170 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000566245379 322111449 /nfs/dbraw/zinc/11/14/49/322111449.db2.gz OSFBYJOIAKUFTG-KRWDZBQOSA-N 1 3 282.387 3.018 20 0 CGADHO Cc1cc(CN2CCC(CC[NH3+])CC2)ccc1Cl ZINC000566317281 322115616 /nfs/dbraw/zinc/11/56/16/322115616.db2.gz ZIWLGABCXMYZIS-UHFFFAOYSA-N 1 3 266.816 3.209 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000566331529 322116630 /nfs/dbraw/zinc/11/66/30/322116630.db2.gz UWXHHIHWECVUMS-OWLYRPNTSA-N 1 3 290.426 3.377 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000566483490 322125824 /nfs/dbraw/zinc/12/58/24/322125824.db2.gz URYFMMURBRMBIV-VNQPRFMTSA-N 1 3 276.424 3.048 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(C3CCC3)cc2)C1 ZINC000566483444 322125950 /nfs/dbraw/zinc/12/59/50/322125950.db2.gz UGXIGZILXBBJJA-SJORKVTESA-N 1 3 258.409 3.314 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000567375398 322161005 /nfs/dbraw/zinc/16/10/05/322161005.db2.gz BUUDDGMJEGYKKE-HOTGVXAUSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000567868188 322180580 /nfs/dbraw/zinc/18/05/80/322180580.db2.gz VVSGEMHFNWTVBZ-QEOTZNIISA-N 1 3 294.483 3.185 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000568050814 322190091 /nfs/dbraw/zinc/19/00/91/322190091.db2.gz GVOYBVHASGVLNZ-MRXNPFEDSA-N 1 3 258.409 3.001 20 0 CGADHO CCOc1ccccc1[C@H](CC)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568249377 322200757 /nfs/dbraw/zinc/20/07/57/322200757.db2.gz ORXKIZCSEMUGIH-FMKPAKJESA-N 1 3 276.424 3.396 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000568531332 322213178 /nfs/dbraw/zinc/21/31/78/322213178.db2.gz ARUZTKYPUOYXNU-QDIHITRGSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](CC1CC1)c1ccccc1 ZINC000569713227 322255080 /nfs/dbraw/zinc/25/50/80/322255080.db2.gz UVVXGYBDSCRZHL-COXVUDFISA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000569713227 322255082 /nfs/dbraw/zinc/25/50/82/322255082.db2.gz UVVXGYBDSCRZHL-COXVUDFISA-N 1 3 258.409 3.115 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000569867452 322259292 /nfs/dbraw/zinc/25/92/92/322259292.db2.gz JLKRVSUCYVTQMX-LZWOXQAQSA-N 1 3 262.372 3.063 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3sccc3c2)C1 ZINC000570582584 322277268 /nfs/dbraw/zinc/27/72/68/322277268.db2.gz AYGNTFGRLMYTOF-ZIAGYGMSSA-N 1 3 260.406 3.261 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000571327768 322295761 /nfs/dbraw/zinc/29/57/61/322295761.db2.gz GJFKLKBZGGTULN-HZPDHXFCSA-N 1 3 252.446 3.441 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000580581913 335290945 /nfs/dbraw/zinc/29/09/45/335290945.db2.gz NNIWLSIDMWHTOH-ICUOPCATSA-N 1 3 282.790 3.195 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCCC1 ZINC000177264163 335369573 /nfs/dbraw/zinc/36/95/73/335369573.db2.gz DCZZPSORQQTXHW-ZACQAIPSSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1CC2CCC1CC2 ZINC000382159859 336083115 /nfs/dbraw/zinc/08/31/15/336083115.db2.gz PAQXTXJYWGYGSN-WQAZNYATSA-N 1 3 250.430 3.061 20 0 CGADHO C[C@@H](NCC[NH2+]C(C)(C)C)[C@H]1CC2CCC1CC2 ZINC000382215575 336084733 /nfs/dbraw/zinc/08/47/33/336084733.db2.gz TVZHHPCBRMZFKU-XSCHDIRWSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](CC1CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362957 533767361 /nfs/dbraw/zinc/76/73/61/533767361.db2.gz IOMCQZFVZUFBPW-WHCBVINPSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[C@@H]1CCCNC1 ZINC000423212980 533985918 /nfs/dbraw/zinc/98/59/18/533985918.db2.gz JLDFFCXNNTVTDF-LISAXSMJSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1Br ZINC000423494917 534013873 /nfs/dbraw/zinc/01/38/73/534013873.db2.gz SSTXITZDALAMMI-SRVKXCTJSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)N(C)CCC[NH+]1CCCCC1 ZINC000161627455 534234327 /nfs/dbraw/zinc/23/43/27/534234327.db2.gz WQAKGLPHHLCYLE-INIZCTEOSA-N 1 3 290.451 3.131 20 0 CGADHO c1ccc(CCCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173872094 534485539 /nfs/dbraw/zinc/48/55/39/534485539.db2.gz IMRNQLSCFNFXKP-LJQANCHMSA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCC[N@@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000173872094 534485543 /nfs/dbraw/zinc/48/55/43/534485543.db2.gz IMRNQLSCFNFXKP-LJQANCHMSA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCC[N@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000173872094 534485551 /nfs/dbraw/zinc/48/55/51/534485551.db2.gz IMRNQLSCFNFXKP-LJQANCHMSA-N 1 3 286.463 3.427 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000037643975 520415437 /nfs/dbraw/zinc/41/54/37/520415437.db2.gz WCBKFVHBUJBOFI-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO Fc1cccc2[nH]c(C[NH2+]CCCN3CCCCC3)cc21 ZINC000436278687 534527143 /nfs/dbraw/zinc/52/71/43/534527143.db2.gz FXMUMXMUOZHDON-UHFFFAOYSA-N 1 3 289.398 3.273 20 0 CGADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000110644754 524826635 /nfs/dbraw/zinc/82/66/35/524826635.db2.gz MANDVAMHHLWNSY-RYUDHWBXSA-N 1 3 266.816 3.460 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccco1 ZINC000089214939 525325767 /nfs/dbraw/zinc/32/57/67/525325767.db2.gz WEEFMRPSMYZQKV-AWEZNQCLSA-N 1 3 285.391 3.242 20 0 CGADHO C/C=C\COc1ccc(CC[C@H](C)NC[C@@H]([NH3+])CC)cc1 ZINC000423457869 526310659 /nfs/dbraw/zinc/31/06/59/526310659.db2.gz GGHBSNUJZLECOK-KAUISWQESA-N 1 3 290.451 3.290 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2ccccc2F)c2ccccc21 ZINC000157249575 527419903 /nfs/dbraw/zinc/41/99/03/527419903.db2.gz PCHGNYQPAGXZAG-IRXDYDNUSA-N 1 3 270.351 3.103 20 0 CGADHO CC(C)CC[NH+]1CCC(CNCc2ccncc2F)CC1 ZINC000449172483 527725204 /nfs/dbraw/zinc/72/52/04/527725204.db2.gz CRSJTYZJSBLYBY-UHFFFAOYSA-N 1 3 293.430 3.068 20 0 CGADHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423532754 527804900 /nfs/dbraw/zinc/80/49/00/527804900.db2.gz RUSBGCYAJMYZTK-HYVNUMGLSA-N 1 3 260.425 3.156 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cccc3c(OC)cccc23)C1 ZINC000449087410 527815553 /nfs/dbraw/zinc/81/55/53/527815553.db2.gz FRRKFXFCVLYUCP-OAHLLOKOSA-N 1 3 298.430 3.280 20 0 CGADHO CC[N@@H+]1CC[C@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449087410 527815559 /nfs/dbraw/zinc/81/55/59/527815559.db2.gz FRRKFXFCVLYUCP-OAHLLOKOSA-N 1 3 298.430 3.280 20 0 CGADHO CC[N@H+]1CC[C@H](CNCc2cccc3c(OC)cccc23)C1 ZINC000449087410 527815562 /nfs/dbraw/zinc/81/55/62/527815562.db2.gz FRRKFXFCVLYUCP-OAHLLOKOSA-N 1 3 298.430 3.280 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1Oc1ccccc1 ZINC000424375794 527875237 /nfs/dbraw/zinc/87/52/37/527875237.db2.gz OANRVLIKLIARGW-QBPKDAKJSA-N 1 3 288.435 3.092 20 0 CGADHO CCCC(O)(CCC)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422982658 528019781 /nfs/dbraw/zinc/01/97/81/528019781.db2.gz XKBUKXBBYPKRFK-YESZJQIVSA-N 1 3 296.499 3.218 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422982658 528019785 /nfs/dbraw/zinc/01/97/85/528019785.db2.gz XKBUKXBBYPKRFK-YESZJQIVSA-N 1 3 296.499 3.218 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423324045 528164341 /nfs/dbraw/zinc/16/43/41/528164341.db2.gz JZQVTBVQHDCDNX-AWEZNQCLSA-N 1 3 276.424 3.253 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000437106013 528203923 /nfs/dbraw/zinc/20/39/23/528203923.db2.gz UMNNAVPSSYKJLB-ZDUSSCGKSA-N 1 3 280.378 3.427 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423271837 528534339 /nfs/dbraw/zinc/53/43/39/528534339.db2.gz JLEAXNXGZZZLRT-LSDHHAIUSA-N 1 3 266.816 3.290 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H](N)C(C)C)c1cccs1 ZINC000423282753 528570878 /nfs/dbraw/zinc/57/08/78/528570878.db2.gz WFBAQAQZSWMSGC-OLZOCXBDSA-N 1 3 254.443 3.408 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000449184332 528885822 /nfs/dbraw/zinc/88/58/22/528885822.db2.gz MPCOOIWXYNNYFS-MRXNPFEDSA-N 1 3 282.472 3.187 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](Cc1ccccc1C)C1CC1 ZINC000423288965 528951589 /nfs/dbraw/zinc/95/15/89/528951589.db2.gz ADXUBDNHMKXXTB-KRWDZBQOSA-N 1 3 274.452 3.423 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000436280539 529085351 /nfs/dbraw/zinc/08/53/51/529085351.db2.gz KZZMMPJMVDATIQ-QGZVFWFLSA-N 1 3 296.499 3.295 20 0 CGADHO CC[C@H]1C[C@@H](C[N@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463215 529317451 /nfs/dbraw/zinc/31/74/51/529317451.db2.gz YYZPDYFMEMPBGK-ROUUACIJSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@H]1C[C@@H](C[N@@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463215 529317453 /nfs/dbraw/zinc/31/74/53/529317453.db2.gz YYZPDYFMEMPBGK-ROUUACIJSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@H]1C[C@@H](CN(CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463215 529317455 /nfs/dbraw/zinc/31/74/55/529317455.db2.gz YYZPDYFMEMPBGK-ROUUACIJSA-N 1 3 290.451 3.043 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCOC ZINC000484309367 535580656 /nfs/dbraw/zinc/58/06/56/535580656.db2.gz OAKIWHGSHDOJRR-YESZJQIVSA-N 1 3 284.488 3.292 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Cl)cs2)C1 ZINC000459786869 536383878 /nfs/dbraw/zinc/38/38/78/536383878.db2.gz PPMBGYFUVLNAFJ-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cc(Cl)cs2)C1 ZINC000459786869 536383879 /nfs/dbraw/zinc/38/38/79/536383879.db2.gz PPMBGYFUVLNAFJ-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO COC1(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCCCC1 ZINC000483283778 536628234 /nfs/dbraw/zinc/62/82/34/536628234.db2.gz ZHMJCROHNGHDGU-QGZVFWFLSA-N 1 3 294.483 3.144 20 0 CGADHO COC1(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CCCCC1 ZINC000483283778 536628240 /nfs/dbraw/zinc/62/82/40/536628240.db2.gz ZHMJCROHNGHDGU-QGZVFWFLSA-N 1 3 294.483 3.144 20 0 CGADHO COC1(CN2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000483283778 536628243 /nfs/dbraw/zinc/62/82/43/536628243.db2.gz ZHMJCROHNGHDGU-QGZVFWFLSA-N 1 3 294.483 3.144 20 0 CGADHO COc1cccc2c(C[NH2+]C[C@H](C)CN(C)C)cccc12 ZINC000451171660 536933121 /nfs/dbraw/zinc/93/31/21/536933121.db2.gz KGZORMUGUFNTNW-AWEZNQCLSA-N 1 3 286.419 3.136 20 0 CGADHO COc1cccc2c(CNC[C@H](C)C[NH+](C)C)cccc12 ZINC000451171660 536933125 /nfs/dbraw/zinc/93/31/25/536933125.db2.gz KGZORMUGUFNTNW-AWEZNQCLSA-N 1 3 286.419 3.136 20 0 CGADHO CC(C)Oc1cccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222940447 571890770 /nfs/dbraw/zinc/89/07/70/571890770.db2.gz NKYQXIJQBRBKMX-IMJJTQAJSA-N 1 3 276.424 3.394 20 0 CGADHO C[C@H](N[C@@H]1CSc2ccccc21)C1CC[NH+](C)CC1 ZINC000396424314 572484396 /nfs/dbraw/zinc/48/43/96/572484396.db2.gz BULCDWCACURTRT-SWLSCSKDSA-N 1 3 276.449 3.153 20 0 CGADHO C[C@H]([NH2+]Cc1cc2ccccc2o1)C1CCN(C)CC1 ZINC000396452428 572485378 /nfs/dbraw/zinc/48/53/78/572485378.db2.gz KHTLLDCGHOIOFO-ZDUSSCGKSA-N 1 3 272.392 3.253 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250702199 572530159 /nfs/dbraw/zinc/53/01/59/572530159.db2.gz UZPQDRDHEVLTOQ-SJORKVTESA-N 1 3 272.436 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250702199 572530165 /nfs/dbraw/zinc/53/01/65/572530165.db2.gz UZPQDRDHEVLTOQ-SJORKVTESA-N 1 3 272.436 3.181 20 0 CGADHO CC[NH2+][C@@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000043809452 618611204 /nfs/dbraw/zinc/61/12/04/618611204.db2.gz LVOPLVQZSJQOBG-ZDUSSCGKSA-N 1 3 264.413 3.208 20 0 CGADHO [NH3+]C1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000051692981 618629003 /nfs/dbraw/zinc/62/90/03/618629003.db2.gz GMPHAVAALVXWRN-HTWSVDAQSA-N 1 3 281.403 3.031 20 0 CGADHO CSC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCCCC1 ZINC000235116673 618665386 /nfs/dbraw/zinc/66/53/86/618665386.db2.gz KIDYQUIFLAFHPD-KBPBESRZSA-N 1 3 270.486 3.159 20 0 CGADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000892585734 618867707 /nfs/dbraw/zinc/86/77/07/618867707.db2.gz WXZVOUXTGIYHOW-CQSZACIVSA-N 1 3 280.412 3.032 20 0 CGADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000892585734 618867708 /nfs/dbraw/zinc/86/77/08/618867708.db2.gz WXZVOUXTGIYHOW-CQSZACIVSA-N 1 3 280.412 3.032 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1cccc(OC(F)F)c1 ZINC000311387671 618906363 /nfs/dbraw/zinc/90/63/63/618906363.db2.gz ZUOFJWWOVJWAFF-JTQLQIEISA-N 1 3 272.339 3.066 20 0 CGADHO [O-]c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1F ZINC000892883045 618949199 /nfs/dbraw/zinc/94/91/99/618949199.db2.gz SHKVRDMVWQGRGA-UHFFFAOYSA-N 1 3 294.414 3.277 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C(C1CC1)C1CC1 ZINC000925513854 619008629 /nfs/dbraw/zinc/00/86/29/619008629.db2.gz HXDDVSNJADRFHP-ZWKOTPCHSA-N 1 3 276.468 3.181 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2csc3ccccc23)C12CCC2 ZINC000925599582 619080564 /nfs/dbraw/zinc/08/05/64/619080564.db2.gz BXOWSXBYZOIHNZ-JKSUJKDBSA-N 1 3 286.444 3.303 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1(C2CC2)CCC1 ZINC000925624205 619094930 /nfs/dbraw/zinc/09/49/30/619094930.db2.gz WQZPWGPEEGUWHO-DLBZAZTESA-N 1 3 276.468 3.325 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000925651775 619109205 /nfs/dbraw/zinc/10/92/05/619109205.db2.gz KRIAQACIGMDVOV-ILXRZTDVSA-N 1 3 262.441 3.075 20 0 CGADHO [NH3+][C@H]1C[C@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C12CCC2 ZINC000925658765 619113848 /nfs/dbraw/zinc/11/38/48/619113848.db2.gz ZYHLGYDHCVPUMM-TUUVXOQKSA-N 1 3 290.838 3.446 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc3ncccc3c2)C1 ZINC000925664265 619118534 /nfs/dbraw/zinc/11/85/34/619118534.db2.gz XLBIDFHFXHRNAQ-HZPDHXFCSA-N 1 3 283.419 3.230 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)CN1CCCC1 ZINC000094372474 619244868 /nfs/dbraw/zinc/24/48/68/619244868.db2.gz OEBIZUQPOCXGAY-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO Cc1coc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000894058101 619361647 /nfs/dbraw/zinc/36/16/47/619361647.db2.gz RDCIAUAQBIMWNY-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO c1ncc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)[nH]1 ZINC000894207964 619419896 /nfs/dbraw/zinc/41/98/96/619419896.db2.gz BWHHZQXMFYPRBS-UHFFFAOYSA-N 1 3 298.434 3.076 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1coc2ccccc12 ZINC000925010189 619489507 /nfs/dbraw/zinc/48/95/07/619489507.db2.gz LGJYDJPTYXZTQE-KBPBESRZSA-N 1 3 272.392 3.425 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010189 619489509 /nfs/dbraw/zinc/48/95/09/619489509.db2.gz LGJYDJPTYXZTQE-KBPBESRZSA-N 1 3 272.392 3.425 20 0 CGADHO C[C@@H](CC[NH2+]Cc1ccccc1CC(F)(F)F)N(C)C ZINC000895290580 619797007 /nfs/dbraw/zinc/79/70/07/619797007.db2.gz MWQLEPYFWWSEAP-LBPRGKRZSA-N 1 3 288.357 3.221 20 0 CGADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC[C@H](C)N(C)C ZINC000895290278 619797059 /nfs/dbraw/zinc/79/70/59/619797059.db2.gz FXRFYNGSPYEBJL-CABCVRRESA-N 1 3 287.451 3.419 20 0 CGADHO c1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)co1 ZINC000895793219 619886468 /nfs/dbraw/zinc/88/64/68/619886468.db2.gz UFAZFDNSAMDGNT-RBUKOAKNSA-N 1 3 296.414 3.234 20 0 CGADHO c1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)co1 ZINC000895793219 619886469 /nfs/dbraw/zinc/88/64/69/619886469.db2.gz UFAZFDNSAMDGNT-RBUKOAKNSA-N 1 3 296.414 3.234 20 0 CGADHO C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)CN1CCCCC1 ZINC000924720482 620576552 /nfs/dbraw/zinc/57/65/52/620576552.db2.gz IWLDRMJFJJCOFM-KLHKWILBSA-N 1 3 294.483 3.046 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453319 621332135 /nfs/dbraw/zinc/33/21/35/621332135.db2.gz ADVNUFVGNQHNTD-ZIAGYGMSSA-N 1 3 274.399 3.309 20 0 CGADHO C[C@@H](NCCC1CCC(F)(F)CC1)[C@H]1CCCC[NH2+]1 ZINC000902456412 621333919 /nfs/dbraw/zinc/33/39/19/621333919.db2.gz OQGONDPNASKHJA-TZMCWYRMSA-N 1 3 274.399 3.322 20 0 CGADHO Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC000902461537 621335881 /nfs/dbraw/zinc/33/58/81/621335881.db2.gz OLPAMWXNJPSYCF-USACIQFYSA-N 1 3 290.838 3.459 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466817 621338594 /nfs/dbraw/zinc/33/85/94/621338594.db2.gz NGABANCBSPAUCR-AEJXEGCDSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000902487642 621355644 /nfs/dbraw/zinc/35/56/44/621355644.db2.gz LIBDFTJPMRKSRZ-YRGRVCCFSA-N 1 3 287.432 3.198 20 0 CGADHO Cc1ccccc1[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000903459342 621752472 /nfs/dbraw/zinc/75/24/72/621752472.db2.gz SZXRPLFEYFWNSY-VYDXJSESSA-N 1 3 260.425 3.137 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476342 621763782 /nfs/dbraw/zinc/76/37/82/621763782.db2.gz URNBZPIOUHPYSZ-SFHVURJKSA-N 1 3 285.435 3.365 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476342 621763786 /nfs/dbraw/zinc/76/37/86/621763786.db2.gz URNBZPIOUHPYSZ-SFHVURJKSA-N 1 3 285.435 3.365 20 0 CGADHO N[C@H](CC(F)F)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890054 621823043 /nfs/dbraw/zinc/82/30/43/621823043.db2.gz YNOBXVQUOOBAGO-CABCVRRESA-N 1 3 282.378 3.066 20 0 CGADHO N[C@H](CC(F)F)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890054 621823045 /nfs/dbraw/zinc/82/30/45/621823045.db2.gz YNOBXVQUOOBAGO-CABCVRRESA-N 1 3 282.378 3.066 20 0 CGADHO c1cnc2ccc(CN3CCCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000903959125 621836922 /nfs/dbraw/zinc/83/69/22/621836922.db2.gz AWSCLYLPRJCWQA-LJQANCHMSA-N 1 3 295.430 3.200 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CNCCC(C)(C)[NH3+] ZINC000903939801 621838280 /nfs/dbraw/zinc/83/82/80/621838280.db2.gz MVFHOVKNYKFLKM-UHFFFAOYSA-N 1 3 274.330 3.231 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CSC(C)(C)C)CN1CCCC1 ZINC000165301317 622858931 /nfs/dbraw/zinc/85/89/31/622858931.db2.gz KZSXQEWSFPFLJN-ZIAGYGMSSA-N 1 3 272.502 3.228 20 0 CGADHO CCc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000225134393 622897236 /nfs/dbraw/zinc/89/72/36/622897236.db2.gz GSIMOGOIXNDSOR-OWCLPIDISA-N 1 3 278.465 3.321 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCSC(F)(F)F ZINC000231940389 623350698 /nfs/dbraw/zinc/35/06/98/623350698.db2.gz ONVUCPGGLFOXKF-WDEREUQCSA-N 1 3 284.391 3.140 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000921496373 624597302 /nfs/dbraw/zinc/59/73/02/624597302.db2.gz SWGVPNUGDRBHMI-XMTFNYHQSA-N 1 3 294.483 3.046 20 0 CGADHO C([NH2+]C1CCN(CC2CCC3(CC3)CC2)CC1)C1CC1 ZINC000923291740 626142825 /nfs/dbraw/zinc/14/28/25/626142825.db2.gz FTWCSFCAQPYAMU-UHFFFAOYSA-N 1 3 276.468 3.421 20 0 CGADHO CCC1([NH+](C)C)CCN(CCC(C)(C)SC)CC1 ZINC000877689695 635146988 /nfs/dbraw/zinc/14/69/88/635146988.db2.gz IUMHHSJIRJYUNW-UHFFFAOYSA-N 1 3 272.502 3.324 20 0 CGADHO COc1ccc2c(c1)nccc2N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000765505258 627254987 /nfs/dbraw/zinc/25/49/87/627254987.db2.gz DWSVZDTXOVFWBS-AWEZNQCLSA-N 1 3 299.418 3.021 20 0 CGADHO COc1ccc2c(c1)nccc2N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000765505258 627254988 /nfs/dbraw/zinc/25/49/88/627254988.db2.gz DWSVZDTXOVFWBS-AWEZNQCLSA-N 1 3 299.418 3.021 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630305 628116191 /nfs/dbraw/zinc/11/61/91/628116191.db2.gz YPMNYCUHTPBMAI-KGLIPLIRSA-N 1 3 271.408 3.160 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630305 628116194 /nfs/dbraw/zinc/11/61/94/628116194.db2.gz YPMNYCUHTPBMAI-KGLIPLIRSA-N 1 3 271.408 3.160 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780291312 628478315 /nfs/dbraw/zinc/47/83/15/628478315.db2.gz ANKSMEVAMPWAOF-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780291312 628478317 /nfs/dbraw/zinc/47/83/17/628478317.db2.gz ANKSMEVAMPWAOF-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780291312 628478319 /nfs/dbraw/zinc/47/83/19/628478319.db2.gz ANKSMEVAMPWAOF-FUHWJXTLSA-N 1 3 286.463 3.380 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000862483864 629385807 /nfs/dbraw/zinc/38/58/07/629385807.db2.gz ZRGCCRYPRMFWOY-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO C1CC2(C1)NCC[C@H]2[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000863481471 629586455 /nfs/dbraw/zinc/58/64/55/629586455.db2.gz DSNQFUOBURLXRC-KLHDSHLOSA-N 1 3 262.441 3.220 20 0 CGADHO Cc1cc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)cc(Cl)n1 ZINC000797600479 629967566 /nfs/dbraw/zinc/96/75/66/629967566.db2.gz VNCIBBYFPFDZTP-CQSZACIVSA-N 1 3 297.874 3.499 20 0 CGADHO C[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1(Cl)Cl ZINC000817935226 632237593 /nfs/dbraw/zinc/23/75/93/632237593.db2.gz AOCXNZFEDNLOBG-FDYHWXHSSA-N 1 3 291.266 3.081 20 0 CGADHO [NH3+]CCCN[C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817938514 632239311 /nfs/dbraw/zinc/23/93/11/632239311.db2.gz MAPRWGCNNLTKMQ-ZDUSSCGKSA-N 1 3 286.391 3.317 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccnc(Cl)c1 ZINC000817949255 632245740 /nfs/dbraw/zinc/24/57/40/632245740.db2.gz OVMCMFKQPAWPIL-GFCCVEGCSA-N 1 3 289.810 3.087 20 0 CGADHO [NH3+]CCc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000817949073 632245944 /nfs/dbraw/zinc/24/59/44/632245944.db2.gz NJCKFUQLMOCYLL-LJQANCHMSA-N 1 3 296.414 3.061 20 0 CGADHO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1C ZINC000818616106 632341517 /nfs/dbraw/zinc/34/15/17/632341517.db2.gz SXJGJNWCSJSLDH-FVQBIDKESA-N 1 3 276.424 3.233 20 0 CGADHO C[C@@H](CCc1cccnc1)[NH2+]CCCN1CCC(C)CC1 ZINC000866217592 633033000 /nfs/dbraw/zinc/03/30/00/633033000.db2.gz GSHIMNALPDRMHF-KRWDZBQOSA-N 1 3 289.467 3.114 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCCOc2ccccc2)C1 ZINC000866705128 633234571 /nfs/dbraw/zinc/23/45/71/633234571.db2.gz UFAWTWSMERRTFF-GOSISDBHSA-N 1 3 290.451 3.152 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCCOc2ccccc2)C1 ZINC000866705128 633234573 /nfs/dbraw/zinc/23/45/73/633234573.db2.gz UFAWTWSMERRTFF-GOSISDBHSA-N 1 3 290.451 3.152 20 0 CGADHO CO[C@@H](C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706437 633234778 /nfs/dbraw/zinc/23/47/78/633234778.db2.gz BPKJBLMIGPTRPS-FUHWJXTLSA-N 1 3 290.451 3.071 20 0 CGADHO CO[C@@H](C[N@H+]1CC[C@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706437 633234783 /nfs/dbraw/zinc/23/47/83/633234783.db2.gz BPKJBLMIGPTRPS-FUHWJXTLSA-N 1 3 290.451 3.071 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872017796 633938154 /nfs/dbraw/zinc/93/81/54/633938154.db2.gz DZFLXLQJPAXUTI-IKGGRYGDSA-N 1 3 296.499 3.434 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)CCC(F)(F)F)C1 ZINC000872023344 633943404 /nfs/dbraw/zinc/94/34/04/633943404.db2.gz GCKYULMXHMYBJA-OLZOCXBDSA-N 1 3 280.378 3.429 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)on1 ZINC000872156689 634068003 /nfs/dbraw/zinc/06/80/03/634068003.db2.gz LEUNYLMMMZFCHO-WMLDXEAASA-N 1 3 291.439 3.103 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873020180 634231782 /nfs/dbraw/zinc/23/17/82/634231782.db2.gz IJJGZSXRCDCAAU-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO CCC[N@H+]1CC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873020180 634231786 /nfs/dbraw/zinc/23/17/86/634231786.db2.gz IJJGZSXRCDCAAU-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC[C@@H]1C=CCC1 ZINC000873280856 634316583 /nfs/dbraw/zinc/31/65/83/634316583.db2.gz CWWQGXVNRWQAKY-DZGCQCFKSA-N 1 3 273.424 3.246 20 0 CGADHO CSC(C)(C)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000876769808 634896571 /nfs/dbraw/zinc/89/65/71/634896571.db2.gz AEPVZUMUSNVHKT-OAHLLOKOSA-N 1 3 284.513 3.326 20 0 CGADHO CSC(C)(C)CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000876769808 634896572 /nfs/dbraw/zinc/89/65/72/634896572.db2.gz AEPVZUMUSNVHKT-OAHLLOKOSA-N 1 3 284.513 3.326 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc(Cl)cs1 ZINC000877142107 634999635 /nfs/dbraw/zinc/99/96/35/634999635.db2.gz KHTWYJNCYWDYNN-LLVKDONJSA-N 1 3 289.876 3.397 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2cccc(Cl)c2N)CCCC1 ZINC000877348908 635028509 /nfs/dbraw/zinc/02/85/09/635028509.db2.gz SZPBKWPTCQVSOJ-UHFFFAOYSA-N 1 3 295.858 3.134 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccnc1Cl ZINC000840807857 635055769 /nfs/dbraw/zinc/05/57/69/635055769.db2.gz HETQRPNAHYKONF-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807857 635055774 /nfs/dbraw/zinc/05/57/74/635055774.db2.gz HETQRPNAHYKONF-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000841009832 635106518 /nfs/dbraw/zinc/10/65/18/635106518.db2.gz HTEJLUPFHHDLPR-CQSZACIVSA-N 1 3 252.377 3.024 20 0 CGADHO CCCCCC[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000841026471 635108287 /nfs/dbraw/zinc/10/82/87/635108287.db2.gz DFLRBGUUZDNEBO-GDBMZVCRSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1cc(F)c(CNCCCCCC[NH3+])c(Cl)c1 ZINC000843129540 635563728 /nfs/dbraw/zinc/56/37/28/635563728.db2.gz POVNSUXNRWSBHB-UHFFFAOYSA-N 1 3 272.795 3.396 20 0 CGADHO c1cc(N2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)ccn1 ZINC000878748930 635622263 /nfs/dbraw/zinc/62/22/63/635622263.db2.gz UPTRJQWXQRQUCR-UHFFFAOYSA-N 1 3 285.435 3.174 20 0 CGADHO c1cc(N2CCC[N@H+](CC3CC4(CCC4)C3)CC2)ccn1 ZINC000878748930 635622267 /nfs/dbraw/zinc/62/22/67/635622267.db2.gz UPTRJQWXQRQUCR-UHFFFAOYSA-N 1 3 285.435 3.174 20 0 CGADHO CC1([NH+]2CCC2)CCN([C@@H]2C=CCCCCC2)CC1 ZINC000880473927 636007401 /nfs/dbraw/zinc/00/74/01/636007401.db2.gz PRIDOQVGVZNIAF-MRXNPFEDSA-N 1 3 262.441 3.436 20 0 CGADHO CC1(N2CCC2)CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000880475698 636008214 /nfs/dbraw/zinc/00/82/14/636008214.db2.gz HXUZYVIGNDUXLR-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO FC1(F)CCC[C@@H]1CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000883423954 636751013 /nfs/dbraw/zinc/75/10/13/636751013.db2.gz ABCOHGCXMJGGSB-RRFJBIMHSA-N 1 3 286.410 3.276 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(C)c1 ZINC000850174501 636974342 /nfs/dbraw/zinc/97/43/42/636974342.db2.gz RHJCDVOMEHMXFR-SJORKVTESA-N 1 3 290.451 3.356 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422499 637056040 /nfs/dbraw/zinc/05/60/40/637056040.db2.gz SDOJIZKMJWRQGF-CQSZACIVSA-N 1 3 288.435 3.147 20 0 CGADHO C1=C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000850509674 637096420 /nfs/dbraw/zinc/09/64/20/637096420.db2.gz PKXAOBBTWBUZIP-CADBVGFASA-N 1 3 282.431 3.490 20 0 CGADHO C1=C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509674 637096424 /nfs/dbraw/zinc/09/64/24/637096424.db2.gz PKXAOBBTWBUZIP-CADBVGFASA-N 1 3 282.431 3.490 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2c(c1)CCCO2 ZINC000850541114 637115076 /nfs/dbraw/zinc/11/50/76/637115076.db2.gz RVXCHMFFHUUKCB-PBHICJAKSA-N 1 3 288.435 3.147 20 0 CGADHO Fc1cccc(/C=C\C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000885926942 637314320 /nfs/dbraw/zinc/31/43/20/637314320.db2.gz KYAMZLCCLQWUSB-RQOWECAXSA-N 1 3 288.410 3.303 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000886062528 637396040 /nfs/dbraw/zinc/39/60/40/637396040.db2.gz QSFPNCDZIRTCLY-IXDOHACOSA-N 1 3 282.472 3.188 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169883 637446414 /nfs/dbraw/zinc/44/64/14/637446414.db2.gz KQLJYJAQHPPYRO-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1cccc(F)c1)CN1CCCC1 ZINC000222057467 637773896 /nfs/dbraw/zinc/77/38/96/637773896.db2.gz VQTQRHRSSQJKCM-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc2c(c1)CCO2 ZINC000854230285 638029153 /nfs/dbraw/zinc/02/91/53/638029153.db2.gz LWFCAXQZVLIIHM-CVEARBPZSA-N 1 3 276.424 3.036 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000925490645 638374370 /nfs/dbraw/zinc/37/43/70/638374370.db2.gz GKYVEXUKMZGGKS-NJAFHUGGSA-N 1 3 297.446 3.077 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)C1 ZINC000924704979 638391971 /nfs/dbraw/zinc/39/19/71/638391971.db2.gz JKRLEGXJXHVSFE-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH3+])[C@@H](NCC(C1CC1)C1CC1)c1ccccc1 ZINC000925513928 638514986 /nfs/dbraw/zinc/51/49/86/638514986.db2.gz ISKYRJRPKAHYSV-SJKOYZFVSA-N 1 3 258.409 3.101 20 0 CGADHO CCc1cnccc1[C@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925630257 638548721 /nfs/dbraw/zinc/54/87/21/638548721.db2.gz OUOUATPSFZAZLF-NWANDNLSSA-N 1 3 275.440 3.201 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1nccs1 ZINC000925648383 638557041 /nfs/dbraw/zinc/55/70/41/638557041.db2.gz UGPQOIKOIBREJB-BPLDGKMQSA-N 1 3 293.480 3.005 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)c1nccs1 ZINC000925648383 638557046 /nfs/dbraw/zinc/55/70/46/638557046.db2.gz UGPQOIKOIBREJB-BPLDGKMQSA-N 1 3 293.480 3.005 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C12CCC2 ZINC000925658312 638559140 /nfs/dbraw/zinc/55/91/40/638559140.db2.gz WXRJRXVTSNWHJK-DTZQCDIJSA-N 1 3 290.838 3.446 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925683260 638568559 /nfs/dbraw/zinc/56/85/59/638568559.db2.gz NJECYXKKTQVTNL-KFWWJZLASA-N 1 3 286.410 3.180 20 0 CGADHO CC[C@H](NCCC(C)(C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000925741298 638593477 /nfs/dbraw/zinc/59/34/77/638593477.db2.gz POHLSXZGJZBRMB-ZDUSSCGKSA-N 1 3 286.366 3.456 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CSCCc3ccccc32)CC1 ZINC000925755358 638597834 /nfs/dbraw/zinc/59/78/34/638597834.db2.gz DWVRXQJCEIXKFH-MRXNPFEDSA-N 1 3 290.476 3.220 20 0 CGADHO CCC1([NH3+])CCN([C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000925759368 638601573 /nfs/dbraw/zinc/60/15/73/638601573.db2.gz NDFOLQAYNAVBQL-HNNXBMFYSA-N 1 3 298.434 3.137 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917193 638605008 /nfs/dbraw/zinc/60/50/08/638605008.db2.gz WPMVDGPIBYYOOK-GXTWGEPZSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917193 638605013 /nfs/dbraw/zinc/60/50/13/638605013.db2.gz WPMVDGPIBYYOOK-GXTWGEPZSA-N 1 3 293.842 3.044 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925772884 638606124 /nfs/dbraw/zinc/60/61/24/638606124.db2.gz LDCYRPYIYCKIEL-HMGSXCDBSA-N 1 3 276.468 3.036 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccccc21 ZINC000925776523 638608803 /nfs/dbraw/zinc/60/88/03/638608803.db2.gz KZMXNNRXYFKMDI-TYNCELHUSA-N 1 3 280.362 3.069 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925862207 638633655 /nfs/dbraw/zinc/63/36/55/638633655.db2.gz YCJYSWOXYFFYGJ-XGUBFFRZSA-N 1 3 294.508 3.171 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1coc2ccccc21)CN(C)C ZINC000926469123 638774336 /nfs/dbraw/zinc/77/43/36/638774336.db2.gz FDDUSKXTSGIAHA-OLZOCXBDSA-N 1 3 260.381 3.281 20 0 CGADHO COc1ccnc([C@@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000926485838 638775887 /nfs/dbraw/zinc/77/58/87/638775887.db2.gz CCQUVQRQHURCTC-OAHLLOKOSA-N 1 3 291.439 3.007 20 0 CGADHO CCc1onc(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929504864 638929163 /nfs/dbraw/zinc/92/91/63/638929163.db2.gz CPPFAUJDQBUZMU-UHFFFAOYSA-N 1 3 293.455 3.098 20 0 CGADHO CCc1onc(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000929504864 638929165 /nfs/dbraw/zinc/92/91/65/638929165.db2.gz CPPFAUJDQBUZMU-UHFFFAOYSA-N 1 3 293.455 3.098 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1CF)C2 ZINC000930601911 639036250 /nfs/dbraw/zinc/03/62/50/639036250.db2.gz LQUPIJFKIUEZBU-QGZVFWFLSA-N 1 3 276.399 3.074 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1CF)C2 ZINC000930601911 639036252 /nfs/dbraw/zinc/03/62/52/639036252.db2.gz LQUPIJFKIUEZBU-QGZVFWFLSA-N 1 3 276.399 3.074 20 0 CGADHO CCCC[N@H+](CC1(C)COC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034183 639101404 /nfs/dbraw/zinc/10/14/04/639101404.db2.gz PYDUGYPPCYQWIZ-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[N@@H+](CC1(C)COC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034183 639101411 /nfs/dbraw/zinc/10/14/11/639101411.db2.gz PYDUGYPPCYQWIZ-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)CSCCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310337 639132728 /nfs/dbraw/zinc/13/27/28/639132728.db2.gz DGVKHYQVIDFMLX-HOTGVXAUSA-N 1 3 284.513 3.039 20 0 CGADHO CCCCC[C@H](O)CNC1CC[NH+](CC(C)(C)C)CC1 ZINC001253561717 806258665 /nfs/dbraw/zinc/25/86/65/806258665.db2.gz YDOYTEWVWCVKES-INIZCTEOSA-N 1 3 284.488 3.028 20 0 CGADHO C[N@@H+]1CCC[C@H](NCc2cc3ccccc3s2)CC1 ZINC001254500838 806421984 /nfs/dbraw/zinc/42/19/84/806421984.db2.gz MBIACMKZHFIRRS-AWEZNQCLSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@H+]1CCC[C@H](NCc2cc3ccccc3s2)CC1 ZINC001254500838 806421989 /nfs/dbraw/zinc/42/19/89/806421989.db2.gz MBIACMKZHFIRRS-AWEZNQCLSA-N 1 3 274.433 3.475 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC001255059244 806534349 /nfs/dbraw/zinc/53/43/49/806534349.db2.gz UVTQENSTBMXJDB-STQMWFEESA-N 1 3 282.453 3.139 20 0 CGADHO Cc1cc2cc(N[C@@H]3CCC[C@@H]([NH3+])C3)ccc2cn1 ZINC001162404577 806578564 /nfs/dbraw/zinc/57/85/64/806578564.db2.gz OLKIZYJSAGRYTP-HUUCEWRRSA-N 1 3 255.365 3.225 20 0 CGADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2CCSC2)CC1 ZINC001255274727 806589142 /nfs/dbraw/zinc/58/91/42/806589142.db2.gz PHQVLQYHMAQHIG-INIZCTEOSA-N 1 3 282.497 3.126 20 0 CGADHO C(C1CCCCC1)[NH+]1CCC(N[C@H]2CCSC2)CC1 ZINC001255274727 806589148 /nfs/dbraw/zinc/58/91/48/806589148.db2.gz PHQVLQYHMAQHIG-INIZCTEOSA-N 1 3 282.497 3.126 20 0 CGADHO CCCC[C@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001255332899 806618768 /nfs/dbraw/zinc/61/87/68/806618768.db2.gz FUXDQVTUTZTRSO-HNNXBMFYSA-N 1 3 282.472 3.140 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)CCO2 ZINC000037229600 798864356 /nfs/dbraw/zinc/86/43/56/798864356.db2.gz HSSJXYPDINHAOE-KRWDZBQOSA-N 1 3 288.435 3.148 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc(C2CC2)cc1 ZINC000094522177 798969572 /nfs/dbraw/zinc/96/95/72/798969572.db2.gz BPPDTQUSRFVMSC-UKRRQHHQSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@]1(C[NH2+]Cc2ccoc2)CCN(Cc2ccccc2)C1 ZINC000380956267 799369622 /nfs/dbraw/zinc/36/96/22/799369622.db2.gz USQPKAXOAKZZHU-GOSISDBHSA-N 1 3 284.403 3.281 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000394621694 799498356 /nfs/dbraw/zinc/49/83/56/799498356.db2.gz GLCLONRZJIWEQE-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687964931 799743821 /nfs/dbraw/zinc/74/38/21/799743821.db2.gz YQSWIJJXMDNHFZ-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687964931 799743824 /nfs/dbraw/zinc/74/38/24/799743824.db2.gz YQSWIJJXMDNHFZ-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO ClC(Cl)=CCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692911437 799803486 /nfs/dbraw/zinc/80/34/86/799803486.db2.gz CMIKPVWIGIDPBZ-LBPRGKRZSA-N 1 3 277.239 3.017 20 0 CGADHO C[C@@H]1CCCN(CC=C(Cl)Cl)[C@@H]1CCC[NH3+] ZINC000693491332 799810916 /nfs/dbraw/zinc/81/09/16/799810916.db2.gz KSFUYAYSCUKMNS-GHMZBOCLSA-N 1 3 265.228 3.145 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001255948016 806794421 /nfs/dbraw/zinc/79/44/21/806794421.db2.gz CKPMOHDSTUMTNC-CQSZACIVSA-N 1 3 284.488 3.433 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)COc1ccccc1C ZINC001255942849 806791600 /nfs/dbraw/zinc/79/16/00/806791600.db2.gz BPIWQNKXBOWBLL-IRXDYDNUSA-N 1 3 292.467 3.472 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1cccs1 ZINC001255943205 806791729 /nfs/dbraw/zinc/79/17/29/806791729.db2.gz KHMXHJILMXUGNZ-AWEZNQCLSA-N 1 3 268.470 3.391 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001255947299 806792341 /nfs/dbraw/zinc/79/23/41/806792341.db2.gz QSFUQVWKJPFAHI-UGUYLWEFSA-N 1 3 252.446 3.275 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708815890 799995689 /nfs/dbraw/zinc/99/56/89/799995689.db2.gz RYNVYNJUQNEELS-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708815890 799995694 /nfs/dbraw/zinc/99/56/94/799995694.db2.gz RYNVYNJUQNEELS-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)c1ccc(C)cn1 ZINC001255951870 806794946 /nfs/dbraw/zinc/79/49/46/806794946.db2.gz BJFGPFMIBSAYDY-MRXNPFEDSA-N 1 3 291.483 3.378 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC(C)(C)C1)C1CCCCC1 ZINC000709333514 800006814 /nfs/dbraw/zinc/00/68/14/800006814.db2.gz VEOYPBSTQQVAFL-CABCVRRESA-N 1 3 252.446 3.466 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)CC1CCOCC1 ZINC001255950919 806795475 /nfs/dbraw/zinc/79/54/75/806795475.db2.gz FMVSTOVJJYWFRX-HNNXBMFYSA-N 1 3 284.488 3.292 20 0 CGADHO C1=C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716719432 800179478 /nfs/dbraw/zinc/17/94/78/800179478.db2.gz SOWCOQNXKYZDFU-RDGPPVDQSA-N 1 3 282.431 3.348 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C)c1ccc(C(F)(F)F)s1 ZINC000717904334 800207271 /nfs/dbraw/zinc/20/72/71/800207271.db2.gz FPTFJKLNYUMMMQ-VIFPVBQESA-N 1 3 280.359 3.369 20 0 CGADHO CSC1CCC(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000720567097 800262148 /nfs/dbraw/zinc/26/21/48/800262148.db2.gz MFLGMVFDRSHTOV-MTERUZRBSA-N 1 3 296.524 3.274 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723574438 800329786 /nfs/dbraw/zinc/32/97/86/800329786.db2.gz RBOMERWQJXZEES-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@H](c1ccc(Br)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000723675258 800336895 /nfs/dbraw/zinc/33/68/95/800336895.db2.gz VZZUWCZDYJTNEV-NWDGAFQWSA-N 1 3 297.240 3.181 20 0 CGADHO [NH3+]CC[C@@H]1CCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000723701599 800337742 /nfs/dbraw/zinc/33/77/42/800337742.db2.gz PDPFKBDVFAEYCU-SNVBAGLBSA-N 1 3 290.304 3.015 20 0 CGADHO CCN(CC)Cc1cccc(N[C@@H](C)C[NH+](C)C)c1F ZINC001163785894 806827565 /nfs/dbraw/zinc/82/75/65/806827565.db2.gz JEKYVHXBDSRUPR-ZDUSSCGKSA-N 1 3 281.419 3.030 20 0 CGADHO CC(C)(C)N1CCC([NH+]2CCC(OC3CCC3)CC2)CC1 ZINC001256569417 806918336 /nfs/dbraw/zinc/91/83/36/806918336.db2.gz FEIBJAMGHRCOTF-UHFFFAOYSA-N 1 3 294.483 3.283 20 0 CGADHO COc1ccc(C(C)(C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256615826 806926164 /nfs/dbraw/zinc/92/61/64/806926164.db2.gz WXAFVWJHUXUNMO-MQVJKMGUSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc(C(C)(C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256615826 806926166 /nfs/dbraw/zinc/92/61/66/806926166.db2.gz WXAFVWJHUXUNMO-MQVJKMGUSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H]1CC[C@H]([N@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256699285 806950069 /nfs/dbraw/zinc/95/00/69/806950069.db2.gz LUWSBEIRFFBTQS-MJYONLJCSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H]1CC[C@H]([N@@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256699285 806950070 /nfs/dbraw/zinc/95/00/70/806950070.db2.gz LUWSBEIRFFBTQS-MJYONLJCSA-N 1 3 294.483 3.140 20 0 CGADHO Cc1cccnc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001116529970 802372733 /nfs/dbraw/zinc/37/27/33/802372733.db2.gz BMGXEQUPVLRMBG-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO Cc1cccnc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001116529970 802372738 /nfs/dbraw/zinc/37/27/38/802372738.db2.gz BMGXEQUPVLRMBG-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO CC(C)c1cccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206808049 813443506 /nfs/dbraw/zinc/44/35/06/813443506.db2.gz JPYXHVUNNKVBSF-GOEBONIOSA-N 1 3 260.425 3.369 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(F)cc2)C[C@H](CC)[NH2+]1 ZINC001246073562 804112640 /nfs/dbraw/zinc/11/26/40/804112640.db2.gz HAUSSUBRMGCWHE-FVQHAEBGSA-N 1 3 278.415 3.267 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]CC1(N)CCCC1 ZINC001246075109 804113497 /nfs/dbraw/zinc/11/34/97/804113497.db2.gz HSDRNFUJEHDSGK-LBPRGKRZSA-N 1 3 282.428 3.167 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246074731 804114065 /nfs/dbraw/zinc/11/40/65/804114065.db2.gz PZQAULMKCUBALH-MUJYYYPQSA-N 1 3 278.415 3.267 20 0 CGADHO CC1(CN[C@H]2CCc3cc(Cl)cc(Cl)c3C2)C[NH2+]C1 ZINC001246095765 804128529 /nfs/dbraw/zinc/12/85/29/804128529.db2.gz SDDVXMSBWUIKAA-LBPRGKRZSA-N 1 3 299.245 3.050 20 0 CGADHO CC1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CNC1 ZINC001246095765 804128535 /nfs/dbraw/zinc/12/85/35/804128535.db2.gz SDDVXMSBWUIKAA-LBPRGKRZSA-N 1 3 299.245 3.050 20 0 CGADHO CC[C@H]1CC(NCCc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246099169 804131741 /nfs/dbraw/zinc/13/17/41/804131741.db2.gz OTTFXIKYFNKOCU-HOTGVXAUSA-N 1 3 290.451 3.137 20 0 CGADHO CC(C)C1CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246101709 804135450 /nfs/dbraw/zinc/13/54/50/804135450.db2.gz ASIQAESRRNIMRU-LBDPXKHJSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H]1NCC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246103615 804137290 /nfs/dbraw/zinc/13/72/90/804137290.db2.gz XJYASDOECZZTFO-UKRRQHHQSA-N 1 3 250.430 3.220 20 0 CGADHO C[NH2+]CCCN[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246112236 804142750 /nfs/dbraw/zinc/14/27/50/804142750.db2.gz LKHYTZCMGUICHY-LBPRGKRZSA-N 1 3 287.234 3.050 20 0 CGADHO CC(C)CCC[C@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246113360 804144987 /nfs/dbraw/zinc/14/49/87/804144987.db2.gz NYSSLOQTPBDXNC-LSDHHAIUSA-N 1 3 258.425 3.273 20 0 CGADHO c1ccc(C2CCC([NH2+][C@@H]3CNCC34CC4)CC2)cc1 ZINC001246134158 804159312 /nfs/dbraw/zinc/15/93/12/804159312.db2.gz PKAFEFJABGXKRZ-OFLPRAFFSA-N 1 3 270.420 3.054 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2ccn(C)c2c1 ZINC001139208097 804163414 /nfs/dbraw/zinc/16/34/14/804163414.db2.gz OZOXXSWPXMYWFW-UHFFFAOYSA-N 1 3 287.451 3.342 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246144921 804166889 /nfs/dbraw/zinc/16/68/89/804166889.db2.gz CBEZEXNIZGVAPF-NYMYIZQJSA-N 1 3 299.245 3.122 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001246144921 804166891 /nfs/dbraw/zinc/16/68/91/804166891.db2.gz CBEZEXNIZGVAPF-NYMYIZQJSA-N 1 3 299.245 3.122 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246152095 804170961 /nfs/dbraw/zinc/17/09/61/804170961.db2.gz OHZKLYGCPOTIAU-KURKYZTESA-N 1 3 296.499 3.484 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCCOc2cccc(Cl)c2)CCN1 ZINC001246174100 804187436 /nfs/dbraw/zinc/18/74/36/804187436.db2.gz IJJSVZSPWYPZPP-AWEZNQCLSA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@@H]1C[C@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246176680 804190331 /nfs/dbraw/zinc/19/03/31/804190331.db2.gz QRPUTOIPNCGMEL-HUUCEWRRSA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCCOc2cccc(Cl)c2)CCN1 ZINC001246176680 804190339 /nfs/dbraw/zinc/19/03/39/804190339.db2.gz QRPUTOIPNCGMEL-HUUCEWRRSA-N 1 3 296.842 3.229 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001246181222 804195430 /nfs/dbraw/zinc/19/54/30/804195430.db2.gz MOOJUTFIIXMYGM-NILFDRSVSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC001246213062 804210884 /nfs/dbraw/zinc/21/08/84/804210884.db2.gz XLUGUKGJXYDTAO-LALPHHSUSA-N 1 3 298.883 3.408 20 0 CGADHO CC[C@@H]1CC(N[C@H]2C[C@H]2c2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246214189 804212315 /nfs/dbraw/zinc/21/23/15/804212315.db2.gz YRZPISIYLUDILM-LMSBXDPUSA-N 1 3 272.436 3.441 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246229699 804222062 /nfs/dbraw/zinc/22/20/62/804222062.db2.gz LMNANBSZDHNKPK-IXDOHACOSA-N 1 3 296.499 3.074 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246229969 804224033 /nfs/dbraw/zinc/22/40/33/804224033.db2.gz NTAWDJMCMSPNGE-XFIYOXNOSA-N 1 3 264.457 3.321 20 0 CGADHO CCCC[C@H]1C[C@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246232757 804225065 /nfs/dbraw/zinc/22/50/65/804225065.db2.gz ZFAHJTROFVPSIQ-KSZLIROESA-N 1 3 296.499 3.218 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@H](CO)CC2CCCCC2)CCN1 ZINC001246232757 804225070 /nfs/dbraw/zinc/22/50/70/804225070.db2.gz ZFAHJTROFVPSIQ-KSZLIROESA-N 1 3 296.499 3.218 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)CCN1 ZINC001246236501 804228310 /nfs/dbraw/zinc/22/83/10/804228310.db2.gz LTRFUXJJGQDDTF-SQNIBIBYSA-N 1 3 286.463 3.300 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1)C1CCCC1 ZINC001246244540 804235747 /nfs/dbraw/zinc/23/57/47/804235747.db2.gz PQCOCPRPBJJXDL-AEGPPILISA-N 1 3 252.446 3.321 20 0 CGADHO C[NH2+]CC[C@@H](C)NCc1ccc(C)c2ccccc12 ZINC001246253198 804239343 /nfs/dbraw/zinc/23/93/43/804239343.db2.gz CXBNDEHEAVETSF-CQSZACIVSA-N 1 3 256.393 3.236 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255545 804241179 /nfs/dbraw/zinc/24/11/79/804241179.db2.gz BYXQZQKOSYEJHA-WFASDCNBSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC001246274090 804250807 /nfs/dbraw/zinc/25/08/07/804250807.db2.gz RRHNXTRJHYZDRR-GXTWGEPZSA-N 1 3 266.816 3.003 20 0 CGADHO CC[C@H]([NH3+])CCN[C@H](C)CSc1ccc(C)cc1 ZINC001246309038 804271446 /nfs/dbraw/zinc/27/14/46/804271446.db2.gz TXQLXVNHPHDEMA-KGLIPLIRSA-N 1 3 266.454 3.193 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)C[C@H](C)N1 ZINC001246307737 804272037 /nfs/dbraw/zinc/27/20/37/804272037.db2.gz FXYFAMGWKOEASI-LZDSYCOUSA-N 1 3 292.854 3.316 20 0 CGADHO Cc1ccc(CC[C@@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246326566 804282296 /nfs/dbraw/zinc/28/22/96/804282296.db2.gz QMVPUPXJRRUZJD-INMHGKMJSA-N 1 3 260.425 3.046 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246330635 804285420 /nfs/dbraw/zinc/28/54/20/804285420.db2.gz DLCNOYXRFGNWQR-DLBZAZTESA-N 1 3 272.436 3.084 20 0 CGADHO CC[C@H](C)C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246331350 804286460 /nfs/dbraw/zinc/28/64/60/804286460.db2.gz AYYGFNZRSDMMLP-SLTXQBBLSA-N 1 3 252.446 3.323 20 0 CGADHO CC1(C)CC[NH2+]C[C@@H]1N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332605 804287255 /nfs/dbraw/zinc/28/72/55/804287255.db2.gz QJQIZUGBBQAKNY-ZACQAIPSSA-N 1 3 272.436 3.300 20 0 CGADHO CCCCC1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246340489 804292609 /nfs/dbraw/zinc/29/26/09/804292609.db2.gz HXRAKYVHOXDNOR-PRLABOORSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(Cl)c(CCNC2C[C@@H](C)[NH2+][C@H](C)C2)c1F ZINC001246342272 804294363 /nfs/dbraw/zinc/29/43/63/804294363.db2.gz GVEYSNZAWZSAES-VXGBXAGGSA-N 1 3 298.833 3.449 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC001246351006 804300238 /nfs/dbraw/zinc/30/02/38/804300238.db2.gz SXVVKLZCSCOESE-UYTYNIKBSA-N 1 3 270.420 3.195 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246367214 804308242 /nfs/dbraw/zinc/30/82/42/804308242.db2.gz TXJLYAMSNIPCKZ-FUHWJXTLSA-N 1 3 299.462 3.467 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246371947 804309930 /nfs/dbraw/zinc/30/99/30/804309930.db2.gz KFINZKRPSWMQRM-IRXDYDNUSA-N 1 3 274.452 3.436 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N[C@H]1CC[NH2+]CC1(C)C ZINC001246371957 804310610 /nfs/dbraw/zinc/31/06/10/804310610.db2.gz KIRCLYVXCGSIQU-WFASDCNBSA-N 1 3 296.455 3.284 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001246377312 804311811 /nfs/dbraw/zinc/31/18/11/804311811.db2.gz NKCHJBREFXQRTF-HOTGVXAUSA-N 1 3 292.854 3.175 20 0 CGADHO Cc1ccc(CC(C)(C)C[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC001246383392 804312687 /nfs/dbraw/zinc/31/26/87/804312687.db2.gz IYOUGBLYTDXHFK-RDJZCZTQSA-N 1 3 274.452 3.294 20 0 CGADHO CC[C@H](CC(C)C)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246384439 804316411 /nfs/dbraw/zinc/31/64/11/804316411.db2.gz CLWVAGIWYQWROL-OAHLLOKOSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC2(CCC2)C1)CC1CCC1 ZINC001246396412 804319453 /nfs/dbraw/zinc/31/94/53/804319453.db2.gz ZPFSWYGVFZEVQB-OAHLLOKOSA-N 1 3 264.457 3.467 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246419252 804327468 /nfs/dbraw/zinc/32/74/68/804327468.db2.gz FWPLIITVSOIUHT-OLZOCXBDSA-N 1 3 284.806 3.142 20 0 CGADHO CCC1([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CCNCC1 ZINC001246423450 804327846 /nfs/dbraw/zinc/32/78/46/804327846.db2.gz JVKRKFGSJUKIEO-ZIAGYGMSSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]1CC(NC2(Cc3ccccc3F)CCC2)C[C@H](C)[NH2+]1 ZINC001246435522 804331024 /nfs/dbraw/zinc/33/10/24/804331024.db2.gz SPQNBKXGLAUHTK-KBPBESRZSA-N 1 3 290.426 3.410 20 0 CGADHO C[C@H]1CC([NH2+]C2(Cc3ccccc3F)CCC2)C[C@H](C)N1 ZINC001246435522 804331036 /nfs/dbraw/zinc/33/10/36/804331036.db2.gz SPQNBKXGLAUHTK-KBPBESRZSA-N 1 3 290.426 3.410 20 0 CGADHO CC1(C)[C@@H]2C[C@@H](NC3(c4ccccc4)CC[NH2+]CC3)C[C@@H]21 ZINC001246432745 804331575 /nfs/dbraw/zinc/33/15/75/804331575.db2.gz XCUDKNVGUNMJMS-OSYLJGHBSA-N 1 3 284.447 3.290 20 0 CGADHO CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246438220 804334585 /nfs/dbraw/zinc/33/45/85/804334585.db2.gz RNKVVZNPSNKION-CYBMUJFWSA-N 1 3 264.388 3.183 20 0 CGADHO CCCC[C@H](CC)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461584 804341405 /nfs/dbraw/zinc/34/14/05/804341405.db2.gz MZZFONCUZRJEQF-JKSUJKDBSA-N 1 3 252.446 3.467 20 0 CGADHO CCCCCC[C@@H](CCCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246462773 804344879 /nfs/dbraw/zinc/34/48/79/804344879.db2.gz DDMRXFAKPLXCPN-ZACQAIPSSA-N 1 3 284.488 3.482 20 0 CGADHO CC[C@]1([NH2+]C2CCC(Oc3ccccc3)CC2)CCNC1 ZINC001246467798 804346327 /nfs/dbraw/zinc/34/63/27/804346327.db2.gz ZTBXEJQXGDFKEX-VJFUWPCTSA-N 1 3 288.435 3.108 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246467666 804346439 /nfs/dbraw/zinc/34/64/39/804346439.db2.gz ZMKVLRCFAFVQRN-VVLHAWIVSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246467666 804346447 /nfs/dbraw/zinc/34/64/47/804346447.db2.gz ZMKVLRCFAFVQRN-VVLHAWIVSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCNCC12CC2 ZINC001246474497 804351295 /nfs/dbraw/zinc/35/12/95/804351295.db2.gz QHDFBEMOIDPMIQ-NHYWBVRUSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[NH2+]CC12CC2 ZINC001246474497 804351301 /nfs/dbraw/zinc/35/13/01/804351301.db2.gz QHDFBEMOIDPMIQ-NHYWBVRUSA-N 1 3 296.817 3.142 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)[C@H]2C[NH2+]C[C@@H]12 ZINC001246476570 804352847 /nfs/dbraw/zinc/35/28/47/804352847.db2.gz XSONGMKUBULGFU-QQXKLLMISA-N 1 3 282.431 3.076 20 0 CGADHO C1=C[C@H](NC2CCC3(CCCCC3)CC2)[C@H]2C[NH2+]C[C@H]12 ZINC001246479244 804355021 /nfs/dbraw/zinc/35/50/21/804355021.db2.gz SOICHMUWPGFELB-XIRDDKMYSA-N 1 3 274.452 3.243 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C2CCC2)C2CNC2)cc1 ZINC001246512132 804368526 /nfs/dbraw/zinc/36/85/26/804368526.db2.gz ARJXLCIBLRVMNJ-KXBFYZLASA-N 1 3 286.463 3.294 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246515106 804369629 /nfs/dbraw/zinc/36/96/29/804369629.db2.gz JNDQLYWHMUYWMK-INIZCTEOSA-N 1 3 252.446 3.035 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246514607 804369986 /nfs/dbraw/zinc/36/99/86/804369986.db2.gz IRMQJVDMLSDVEB-HEHGZKQESA-N 1 3 252.446 3.179 20 0 CGADHO C1CC1[C@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246517532 804370728 /nfs/dbraw/zinc/37/07/28/804370728.db2.gz MMZONWYOVUQSKC-SJORKVTESA-N 1 3 276.468 3.467 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)C1CNC1 ZINC001246517510 804371962 /nfs/dbraw/zinc/37/19/62/804371962.db2.gz LUZADCVASGUYSO-SJORKVTESA-N 1 3 292.854 3.031 20 0 CGADHO CC[C@@H]1C[C@H](N(Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520657 804373554 /nfs/dbraw/zinc/37/35/54/804373554.db2.gz USSUAZGNVCHSKX-IAGOWNOFSA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520657 804373561 /nfs/dbraw/zinc/37/35/61/804373561.db2.gz USSUAZGNVCHSKX-IAGOWNOFSA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520657 804373566 /nfs/dbraw/zinc/37/35/66/804373566.db2.gz USSUAZGNVCHSKX-IAGOWNOFSA-N 1 3 260.425 3.428 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCC3)CCN1 ZINC001246532607 804382817 /nfs/dbraw/zinc/38/28/17/804382817.db2.gz RWTYDNPUTVOMFN-KKUMJFAQSA-N 1 3 264.457 3.466 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246544834 804393052 /nfs/dbraw/zinc/39/30/52/804393052.db2.gz ZQTPABDRBWZMDW-JQHSSLGASA-N 1 3 274.452 3.315 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246544834 804393056 /nfs/dbraw/zinc/39/30/56/804393056.db2.gz ZQTPABDRBWZMDW-JQHSSLGASA-N 1 3 274.452 3.315 20 0 CGADHO C[C@@H]1CN([C@@H]2CC[NH2+]C(C)(C)C2)Cc2ccccc21 ZINC001246548759 804398803 /nfs/dbraw/zinc/39/88/03/804398803.db2.gz OJBNSMZSUFLPFO-UKRRQHHQSA-N 1 3 258.409 3.136 20 0 CGADHO CCCCCC[C@@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557506 804406317 /nfs/dbraw/zinc/40/63/17/804406317.db2.gz LXEDHWJOXLHDAE-OLZOCXBDSA-N 1 3 262.388 3.261 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246586305 804430166 /nfs/dbraw/zinc/43/01/66/804430166.db2.gz MUKUYCDJYDJWLQ-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246586305 804430172 /nfs/dbraw/zinc/43/01/72/804430172.db2.gz MUKUYCDJYDJWLQ-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589748 804432040 /nfs/dbraw/zinc/43/20/40/804432040.db2.gz FMKFCMJPKPWYPB-MAUKXSAKSA-N 1 3 290.426 3.134 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589748 804432047 /nfs/dbraw/zinc/43/20/47/804432047.db2.gz FMKFCMJPKPWYPB-MAUKXSAKSA-N 1 3 290.426 3.134 20 0 CGADHO C[C@]1(C[NH3+])CCCCN([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589748 804432051 /nfs/dbraw/zinc/43/20/51/804432051.db2.gz FMKFCMJPKPWYPB-MAUKXSAKSA-N 1 3 290.426 3.134 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246611619 804445418 /nfs/dbraw/zinc/44/54/18/804445418.db2.gz UTLNORJIRUKPJT-LPHOPBHVSA-N 1 3 286.463 3.398 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246611619 804445422 /nfs/dbraw/zinc/44/54/22/804445422.db2.gz UTLNORJIRUKPJT-LPHOPBHVSA-N 1 3 286.463 3.398 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@]4(C3)CCCNC4)C2)cc1 ZINC001246613878 804449230 /nfs/dbraw/zinc/44/92/30/804449230.db2.gz ZJEYLJGIXLHPLR-QRVBRYPASA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@]4(C3)CCCNC4)C2)cc1 ZINC001246613878 804449234 /nfs/dbraw/zinc/44/92/34/804449234.db2.gz ZJEYLJGIXLHPLR-QRVBRYPASA-N 1 3 284.447 3.398 20 0 CGADHO CCCCC[C@@H](CCC)[N@@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246621804 804456143 /nfs/dbraw/zinc/45/61/43/804456143.db2.gz QAISVIRDMSQMET-SJORKVTESA-N 1 3 282.472 3.190 20 0 CGADHO CCCCC[C@@H](CCC)[N@H+]1CCO[C@]2(CCCNC2)C1 ZINC001246621804 804456148 /nfs/dbraw/zinc/45/61/48/804456148.db2.gz QAISVIRDMSQMET-SJORKVTESA-N 1 3 282.472 3.190 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624212 804457503 /nfs/dbraw/zinc/45/75/03/804457503.db2.gz OHLMLTHCJOINCE-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624212 804457505 /nfs/dbraw/zinc/45/75/05/804457505.db2.gz OHLMLTHCJOINCE-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629410 804460114 /nfs/dbraw/zinc/46/01/14/804460114.db2.gz ZBNGBCWFAFOUKN-FCGDIQPGSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629410 804460117 /nfs/dbraw/zinc/46/01/17/804460117.db2.gz ZBNGBCWFAFOUKN-FCGDIQPGSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629413 804460845 /nfs/dbraw/zinc/46/08/45/804460845.db2.gz ZBNGBCWFAFOUKN-YDZRNGNQSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629413 804460846 /nfs/dbraw/zinc/46/08/46/804460846.db2.gz ZBNGBCWFAFOUKN-YDZRNGNQSA-N 1 3 284.447 3.397 20 0 CGADHO CCCCC[C@@H](CC)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246637239 804465775 /nfs/dbraw/zinc/46/57/75/804465775.db2.gz MRDIPYFZQKGYFC-IAGOWNOFSA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@@H](CC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246637239 804465777 /nfs/dbraw/zinc/46/57/77/804465777.db2.gz MRDIPYFZQKGYFC-IAGOWNOFSA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@@H](CC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246637239 804465778 /nfs/dbraw/zinc/46/57/78/804465778.db2.gz MRDIPYFZQKGYFC-IAGOWNOFSA-N 1 3 282.472 3.047 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642425 804468965 /nfs/dbraw/zinc/46/89/65/804468965.db2.gz WNVRLBHAZBOSMB-IAGOWNOFSA-N 1 3 282.472 3.047 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642425 804468967 /nfs/dbraw/zinc/46/89/67/804468967.db2.gz WNVRLBHAZBOSMB-IAGOWNOFSA-N 1 3 282.472 3.047 20 0 CGADHO CCCCCC(CCCCC)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643728 804470682 /nfs/dbraw/zinc/47/06/82/804470682.db2.gz PTMKXPWQGQLBDX-GOSISDBHSA-N 1 3 295.515 3.153 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CCC12CCNCC2 ZINC001246642793 804470812 /nfs/dbraw/zinc/47/08/12/804470812.db2.gz PHVXUPMKVXWPKE-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CCC12CCNCC2 ZINC001246642793 804470816 /nfs/dbraw/zinc/47/08/16/804470816.db2.gz PHVXUPMKVXWPKE-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CC([N@@H+]2CCCC[C@]23CCCNC3)C[C@H](C)C1 ZINC001246650135 804477735 /nfs/dbraw/zinc/47/77/35/804477735.db2.gz HFEHAYDRLAYNIG-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC([N@H+]2CCCC[C@]23CCCNC3)C[C@H](C)C1 ZINC001246650135 804477742 /nfs/dbraw/zinc/47/77/42/804477742.db2.gz HFEHAYDRLAYNIG-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654189 804480696 /nfs/dbraw/zinc/48/06/96/804480696.db2.gz VNXMPKVBHNJTNV-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654189 804480700 /nfs/dbraw/zinc/48/07/00/804480700.db2.gz VNXMPKVBHNJTNV-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO C1C[C@H]2[C@@H](CCN2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246662491 804485495 /nfs/dbraw/zinc/48/54/95/804485495.db2.gz HPDCCPKOPMDTGP-XHSDSOJGSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@@H](CC[N@@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246662491 804485499 /nfs/dbraw/zinc/48/54/99/804485499.db2.gz HPDCCPKOPMDTGP-XHSDSOJGSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246662491 804485501 /nfs/dbraw/zinc/48/55/01/804485501.db2.gz HPDCCPKOPMDTGP-XHSDSOJGSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC(C)(C)C1 ZINC001246688712 804497146 /nfs/dbraw/zinc/49/71/46/804497146.db2.gz HFTXLFOKSWPOJJ-WBTNSWJXSA-N 1 3 282.447 3.225 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC(C)(C)C1 ZINC001246688712 804497152 /nfs/dbraw/zinc/49/71/52/804497152.db2.gz HFTXLFOKSWPOJJ-WBTNSWJXSA-N 1 3 282.447 3.225 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246688714 804497231 /nfs/dbraw/zinc/49/72/31/804497231.db2.gz HIAIOMDKRRJFCH-ARFHVFGLSA-N 1 3 270.436 3.369 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246688714 804497234 /nfs/dbraw/zinc/49/72/34/804497234.db2.gz HIAIOMDKRRJFCH-ARFHVFGLSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774639 804504678 /nfs/dbraw/zinc/50/46/78/804504678.db2.gz GBCFVQRPYGIPGM-RHSMWYFYSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774639 804504679 /nfs/dbraw/zinc/50/46/79/804504679.db2.gz GBCFVQRPYGIPGM-RHSMWYFYSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774639 804504683 /nfs/dbraw/zinc/50/46/83/804504683.db2.gz GBCFVQRPYGIPGM-RHSMWYFYSA-N 1 3 268.404 3.412 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246778345 804506786 /nfs/dbraw/zinc/50/67/86/804506786.db2.gz ULSVZWNJBXBLJK-QZTJIDSGSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246778345 804506791 /nfs/dbraw/zinc/50/67/91/804506791.db2.gz ULSVZWNJBXBLJK-QZTJIDSGSA-N 1 3 274.452 3.459 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)[C@@H]2C)C[C@H](CC)N1 ZINC001246790344 804513214 /nfs/dbraw/zinc/51/32/14/804513214.db2.gz NOSVVZHEPQNIGX-GVRJEKJASA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C)[C@@H]2C)C[C@H](CC)N1 ZINC001246790344 804513208 /nfs/dbraw/zinc/51/32/08/804513208.db2.gz NOSVVZHEPQNIGX-GVRJEKJASA-N 1 3 252.446 3.416 20 0 CGADHO c1ccc(C[C@@H]2CC[N@@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790447 804513256 /nfs/dbraw/zinc/51/32/56/804513256.db2.gz FZKGWNFQCNDKPK-ZWKOTPCHSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(C[C@@H]2CC[N@H+]([C@@H]3CCNC4(CCC4)C3)C2)cc1 ZINC001246790447 804513262 /nfs/dbraw/zinc/51/32/62/804513262.db2.gz FZKGWNFQCNDKPK-ZWKOTPCHSA-N 1 3 284.447 3.226 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246794063 804516907 /nfs/dbraw/zinc/51/69/07/804516907.db2.gz YNFFTLWXVCVYBR-IAGOWNOFSA-N 1 3 272.436 3.082 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246794063 804516914 /nfs/dbraw/zinc/51/69/14/804516914.db2.gz YNFFTLWXVCVYBR-IAGOWNOFSA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C(C)(C)OC)CCN1 ZINC001246812383 804529236 /nfs/dbraw/zinc/52/92/36/804529236.db2.gz ZPBOSSPJAZQOFT-BZUAXINKSA-N 1 3 282.472 3.187 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)(C)OC)CCN1 ZINC001246812383 804529241 /nfs/dbraw/zinc/52/92/41/804529241.db2.gz ZPBOSSPJAZQOFT-BZUAXINKSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844442 804551842 /nfs/dbraw/zinc/55/18/42/804551842.db2.gz JGNYNFUCAGHIRH-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844442 804551847 /nfs/dbraw/zinc/55/18/47/804551847.db2.gz JGNYNFUCAGHIRH-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO C[N@H+](CC1CCCCC1)[C@@H]1CCNC2(CCC2)C1 ZINC001246844931 804553623 /nfs/dbraw/zinc/55/36/23/804553623.db2.gz HVNIJVJPFFPEBD-OAHLLOKOSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@@H+](CC1CCCCC1)[C@@H]1CCNC2(CCC2)C1 ZINC001246844931 804553629 /nfs/dbraw/zinc/55/36/29/804553629.db2.gz HVNIJVJPFFPEBD-OAHLLOKOSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865635 804570097 /nfs/dbraw/zinc/57/00/97/804570097.db2.gz VNIQRLBQJGXXMA-BHYGNILZSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865635 804570100 /nfs/dbraw/zinc/57/01/00/804570100.db2.gz VNIQRLBQJGXXMA-BHYGNILZSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246874018 804572884 /nfs/dbraw/zinc/57/28/84/804572884.db2.gz HWPODQMIVVIHCZ-HUUCEWRRSA-N 1 3 290.476 3.384 20 0 CGADHO C[N@@H+]([C@H]1CCNC(C)(C)C1)C(C)(C)Cc1ccccc1 ZINC001246892853 804583686 /nfs/dbraw/zinc/58/36/86/804583686.db2.gz ORWDNOHDUOEXDK-INIZCTEOSA-N 1 3 274.452 3.470 20 0 CGADHO C[N@H+]([C@H]1CCNC(C)(C)C1)C(C)(C)Cc1ccccc1 ZINC001246892853 804583683 /nfs/dbraw/zinc/58/36/83/804583683.db2.gz ORWDNOHDUOEXDK-INIZCTEOSA-N 1 3 274.452 3.470 20 0 CGADHO CN(Cc1cccc(F)c1F)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246909254 804593247 /nfs/dbraw/zinc/59/32/47/804593247.db2.gz OHMRFKKLMHFIBP-AWEZNQCLSA-N 1 3 294.389 3.319 20 0 CGADHO CC(C)OCC[C@@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246936798 804608679 /nfs/dbraw/zinc/60/86/79/804608679.db2.gz KCLNVTARBJNRLR-SJORKVTESA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)OCC[C@@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246936798 804608684 /nfs/dbraw/zinc/60/86/84/804608684.db2.gz KCLNVTARBJNRLR-SJORKVTESA-N 1 3 296.499 3.434 20 0 CGADHO CC1(c2ccccc2)CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246943956 804612251 /nfs/dbraw/zinc/61/22/51/804612251.db2.gz GOVUUSUOQQIMPP-PIIMJCKOSA-N 1 3 284.447 3.323 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246950216 804616176 /nfs/dbraw/zinc/61/61/76/804616176.db2.gz VYKYZHLMURQMNL-STQMWFEESA-N 1 3 298.833 3.342 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc3scnc3c2)CC1 ZINC001144737141 805047431 /nfs/dbraw/zinc/04/74/31/805047431.db2.gz OFJWPGOFENIROT-UHFFFAOYSA-N 1 3 289.448 3.070 20 0 CGADHO CCOc1cc(C)ccc1CN1CCC(C[NH+](C)C)CC1 ZINC001250182137 805469124 /nfs/dbraw/zinc/46/91/24/805469124.db2.gz STDWONBIXQTHJZ-UHFFFAOYSA-N 1 3 290.451 3.167 20 0 CGADHO CCC1CCC(N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001256876480 806998454 /nfs/dbraw/zinc/99/84/54/806998454.db2.gz PXCGNGIYTRXQIR-UHFFFAOYSA-N 1 3 287.451 3.481 20 0 CGADHO C1=CC[C@H](CN2CCC([NH2+][C@H]3CCCSC3)CC2)CC1 ZINC001257667341 807208369 /nfs/dbraw/zinc/20/83/69/807208369.db2.gz CJCPDHWIHXIXDG-RDJZCZTQSA-N 1 3 294.508 3.292 20 0 CGADHO CC1CN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168040064 807303542 /nfs/dbraw/zinc/30/35/42/807303542.db2.gz KCBCRJFBACQHFO-HZPDHXFCSA-N 1 3 272.436 3.380 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC001258454308 807460637 /nfs/dbraw/zinc/46/06/37/807460637.db2.gz JQSKQVSMUHHOFP-CYBMUJFWSA-N 1 3 252.446 3.418 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168704749 807490469 /nfs/dbraw/zinc/49/04/69/807490469.db2.gz PBFSFIXKRSWECU-RRFJBIMHSA-N 1 3 292.854 3.270 20 0 CGADHO C[C@H](Cc1cccnc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258616465 807510632 /nfs/dbraw/zinc/51/06/32/807510632.db2.gz KHRUSPDBIQBEEO-CQSZACIVSA-N 1 3 289.467 3.254 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2cccnc2)CC1 ZINC001258615765 807511069 /nfs/dbraw/zinc/51/10/69/807511069.db2.gz PAKSNYVCOMUKFB-HNNXBMFYSA-N 1 3 289.467 3.255 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2cccnc2)CC1 ZINC001258615765 807511071 /nfs/dbraw/zinc/51/10/71/807511071.db2.gz PAKSNYVCOMUKFB-HNNXBMFYSA-N 1 3 289.467 3.255 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001169098076 807576059 /nfs/dbraw/zinc/57/60/59/807576059.db2.gz FMSSYTNFWKDISJ-IQNXINDISA-N 1 3 292.373 3.036 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C2 ZINC001169098076 807576065 /nfs/dbraw/zinc/57/60/65/807576065.db2.gz FMSSYTNFWKDISJ-IQNXINDISA-N 1 3 292.373 3.036 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1cc(F)cc(F)c1)C2 ZINC001169099613 807576207 /nfs/dbraw/zinc/57/62/07/807576207.db2.gz COOHJBQHJKHZJU-PHZGNYQRSA-N 1 3 294.389 3.415 20 0 CGADHO CCC[NH+]1CCC(NCCc2cccc(Cl)c2F)CC1 ZINC001258770888 807604358 /nfs/dbraw/zinc/60/43/58/807604358.db2.gz TYKLBQXZJPIGMY-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO CC(C)CCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001170073701 807747806 /nfs/dbraw/zinc/74/78/06/807747806.db2.gz MBYXGNAOFFTIMI-INIZCTEOSA-N 1 3 275.440 3.418 20 0 CGADHO C[C@H]1CC[C@H](N2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117369 807763937 /nfs/dbraw/zinc/76/39/37/807763937.db2.gz KUTJNXWAFGTDIW-BBRMVZONSA-N 1 3 276.399 3.264 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2CCOC(C)(C)C2)CC1(C)C ZINC001171623441 808106815 /nfs/dbraw/zinc/10/68/15/808106815.db2.gz ZCFOOGWAKVHTAC-CYBMUJFWSA-N 1 3 282.472 3.185 20 0 CGADHO Cn1ccc2cc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc21 ZINC001172099120 808172666 /nfs/dbraw/zinc/17/26/66/808172666.db2.gz IWOOJPFNBFQRJV-BCDXTJNWSA-N 1 3 297.446 3.283 20 0 CGADHO Cn1ccc2cc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc21 ZINC001172099120 808172668 /nfs/dbraw/zinc/17/26/68/808172668.db2.gz IWOOJPFNBFQRJV-BCDXTJNWSA-N 1 3 297.446 3.283 20 0 CGADHO Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC001172103466 808173702 /nfs/dbraw/zinc/17/37/02/808173702.db2.gz USKPAPNLOAZLRL-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172103466 808173709 /nfs/dbraw/zinc/17/37/09/808173709.db2.gz USKPAPNLOAZLRL-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC001172106895 808176112 /nfs/dbraw/zinc/17/61/12/808176112.db2.gz QTRKXCLGKPIQEY-JONQDZQNSA-N 1 3 273.424 3.056 20 0 CGADHO Cc1cncc([C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114031 808180312 /nfs/dbraw/zinc/18/03/12/808180312.db2.gz ODCDCOLNEWIIJV-RDGPPVDQSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cncc([C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114031 808180314 /nfs/dbraw/zinc/18/03/14/808180314.db2.gz ODCDCOLNEWIIJV-RDGPPVDQSA-N 1 3 299.462 3.446 20 0 CGADHO CC(C)c1ncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)s1 ZINC001172116800 808180422 /nfs/dbraw/zinc/18/04/22/808180422.db2.gz IRNIENGWRNAEGR-ZSOGYDGISA-N 1 3 293.480 3.371 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C(F)(F)F)CC1)C2 ZINC001172120052 808182266 /nfs/dbraw/zinc/18/22/66/808182266.db2.gz JIEOSUCSYUQUQM-WDNDVIMCSA-N 1 3 290.373 3.276 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C(F)(F)F)CC1)C2 ZINC001172120052 808182269 /nfs/dbraw/zinc/18/22/69/808182269.db2.gz JIEOSUCSYUQUQM-WDNDVIMCSA-N 1 3 290.373 3.276 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3CCC(CC3)C1)C2 ZINC001172128821 808185193 /nfs/dbraw/zinc/18/51/93/808185193.db2.gz UPPBTGLMXHGWNS-NDQLQDMOSA-N 1 3 262.441 3.124 20 0 CGADHO CC(C)OCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172441772 808316706 /nfs/dbraw/zinc/31/67/06/808316706.db2.gz PWIYGEGWZCLXRK-INIZCTEOSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172570023 808396088 /nfs/dbraw/zinc/39/60/88/808396088.db2.gz CNKBDYURYGGMTE-ZJUUUORDSA-N 1 3 290.785 3.124 20 0 CGADHO CCN(C)C1CC[NH+](C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172661365 808411956 /nfs/dbraw/zinc/41/19/56/808411956.db2.gz SXMGYXBKXANIQR-UHFFFAOYSA-N 1 3 282.472 3.139 20 0 CGADHO CO[C@@H]1CCC[C@@H](N[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001172915330 808477921 /nfs/dbraw/zinc/47/79/21/808477921.db2.gz CHAWQTYCTJFULY-KURKYZTESA-N 1 3 290.451 3.227 20 0 CGADHO CCSC[C@@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001173293686 808593698 /nfs/dbraw/zinc/59/36/98/808593698.db2.gz CGHRAISILUKBAI-CYBMUJFWSA-N 1 3 270.486 3.112 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173338489 808618797 /nfs/dbraw/zinc/61/87/97/808618797.db2.gz AOOSFMMRXMSYAO-HUUCEWRRSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173338489 808618799 /nfs/dbraw/zinc/61/87/99/808618799.db2.gz AOOSFMMRXMSYAO-HUUCEWRRSA-N 1 3 252.446 3.406 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1ccc(F)cc1)C2 ZINC001274879364 808889810 /nfs/dbraw/zinc/88/98/10/808889810.db2.gz KQHBDNHZTRTUOY-GOSISDBHSA-N 1 3 290.426 3.176 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1ccc(F)cc1)C2 ZINC001274879364 808889817 /nfs/dbraw/zinc/88/98/17/808889817.db2.gz KQHBDNHZTRTUOY-GOSISDBHSA-N 1 3 290.426 3.176 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc3cc[nH]c31)C2 ZINC001275164662 808919013 /nfs/dbraw/zinc/91/90/13/808919013.db2.gz OHLQJFYWSMNWDM-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc3cc[nH]c31)C2 ZINC001275164662 808919022 /nfs/dbraw/zinc/91/90/22/808919022.db2.gz OHLQJFYWSMNWDM-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO CC(C)[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001277797547 809097237 /nfs/dbraw/zinc/09/72/37/809097237.db2.gz UABNOCBRWHZGRR-UHFFFAOYSA-N 1 3 278.362 3.135 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC001179160455 809907818 /nfs/dbraw/zinc/90/78/18/809907818.db2.gz WXPJQQGJVBGPJX-OAHLLOKOSA-N 1 3 290.451 3.079 20 0 CGADHO CCCc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC001179818417 809948986 /nfs/dbraw/zinc/94/89/86/809948986.db2.gz YGNAUVBZYYUCBQ-OKZBNKHCSA-N 1 3 272.436 3.069 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1cccc2c1CCC2 ZINC001180097128 809973846 /nfs/dbraw/zinc/97/38/46/809973846.db2.gz BKWZZPJPCFOFMY-SFHVURJKSA-N 1 3 286.463 3.482 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1cccc2c1CCC2 ZINC001180097128 809973850 /nfs/dbraw/zinc/97/38/50/809973850.db2.gz BKWZZPJPCFOFMY-SFHVURJKSA-N 1 3 286.463 3.482 20 0 CGADHO C[C@H](c1nccc2ccccc21)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC001180794422 810022183 /nfs/dbraw/zinc/02/21/83/810022183.db2.gz OLZHIITWIIYVNB-HUUCEWRRSA-N 1 3 283.419 3.179 20 0 CGADHO C[C@H](c1nccc2ccccc21)[N@H+]1CC[C@H](CN(C)C)C1 ZINC001180794422 810022188 /nfs/dbraw/zinc/02/21/88/810022188.db2.gz OLZHIITWIIYVNB-HUUCEWRRSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@H+](CCCN1CCCC1)CC(C)(C)Oc1ccccc1 ZINC001181234426 810043577 /nfs/dbraw/zinc/04/35/77/810043577.db2.gz KPHIKHFRMICDQR-UHFFFAOYSA-N 1 3 290.451 3.262 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CC(C)(C)Oc1ccccc1 ZINC001181234426 810043582 /nfs/dbraw/zinc/04/35/82/810043582.db2.gz KPHIKHFRMICDQR-UHFFFAOYSA-N 1 3 290.451 3.262 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001182910832 810130728 /nfs/dbraw/zinc/13/07/28/810130728.db2.gz QYEBDUFRAVXALM-IAGOWNOFSA-N 1 3 286.463 3.113 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001184387756 810196924 /nfs/dbraw/zinc/19/69/24/810196924.db2.gz NEOVCZNAOVMPJR-DGADGQDISA-N 1 3 264.457 3.131 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001201479051 811855968 /nfs/dbraw/zinc/85/59/68/811855968.db2.gz YJXGDYLCUGOFQO-UHFFFAOYSA-N 1 3 272.436 3.165 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001201479051 811855979 /nfs/dbraw/zinc/85/59/79/811855979.db2.gz YJXGDYLCUGOFQO-UHFFFAOYSA-N 1 3 272.436 3.165 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201568754 811907908 /nfs/dbraw/zinc/90/79/08/811907908.db2.gz XPJWLGXYKUXIAA-OAGGEKHMSA-N 1 3 252.446 3.371 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001201568754 811907914 /nfs/dbraw/zinc/90/79/14/811907914.db2.gz XPJWLGXYKUXIAA-OAGGEKHMSA-N 1 3 252.446 3.371 20 0 CGADHO CC[NH+]1C[C@@H]2CN(Cc3cccc4ccccc43)C[C@H]2C1 ZINC001203987632 812509727 /nfs/dbraw/zinc/50/97/27/812509727.db2.gz ACTRNSBIQIATAC-QZTJIDSGSA-N 1 3 280.415 3.223 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC001204591568 812682996 /nfs/dbraw/zinc/68/29/96/812682996.db2.gz GSJNSNBONAHGQN-BRWVUGGUSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC001204591568 812682998 /nfs/dbraw/zinc/68/29/98/812682998.db2.gz GSJNSNBONAHGQN-BRWVUGGUSA-N 1 3 266.473 3.476 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@H+](C)CCN ZINC001204698611 812711468 /nfs/dbraw/zinc/71/14/68/812711468.db2.gz AVNAYCBTMBZMAD-UHFFFAOYSA-N 1 3 254.377 3.053 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@@H+](C)CCN ZINC001204698611 812711471 /nfs/dbraw/zinc/71/14/71/812711471.db2.gz AVNAYCBTMBZMAD-UHFFFAOYSA-N 1 3 254.377 3.053 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](N)C1 ZINC001204885578 812763636 /nfs/dbraw/zinc/76/36/36/812763636.db2.gz YGMRKIRBWDZTRL-HNNXBMFYSA-N 1 3 254.377 3.071 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](N)C1 ZINC001204885578 812763644 /nfs/dbraw/zinc/76/36/44/812763644.db2.gz YGMRKIRBWDZTRL-HNNXBMFYSA-N 1 3 254.377 3.071 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@](C)(N)C1 ZINC001204937362 812785466 /nfs/dbraw/zinc/78/54/66/812785466.db2.gz COFKETNTYDAGGP-RDJZCZTQSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@](C)(N)C1 ZINC001204937362 812785472 /nfs/dbraw/zinc/78/54/72/812785472.db2.gz COFKETNTYDAGGP-RDJZCZTQSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@@H](N)CC1 ZINC001205095586 812860965 /nfs/dbraw/zinc/86/09/65/812860965.db2.gz ZQTWIFDYWPMNNM-HZPDHXFCSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@H](N)CC1 ZINC001205095586 812860974 /nfs/dbraw/zinc/86/09/74/812860974.db2.gz ZQTWIFDYWPMNNM-HZPDHXFCSA-N 1 3 284.488 3.421 20 0 CGADHO CCc1cccc2c(CN3CCC[C@H]([NH3+])CC3)c[nH]c21 ZINC001205101449 812865604 /nfs/dbraw/zinc/86/56/04/812865604.db2.gz FJWJFHKEADZOLG-HNNXBMFYSA-N 1 3 271.408 3.044 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccccc2-c2cccnc2)CC1 ZINC001205110548 812871099 /nfs/dbraw/zinc/87/10/99/812871099.db2.gz VTBXGINIDZOJRU-KRWDZBQOSA-N 1 3 281.403 3.062 20 0 CGADHO Cc1cccc2c1CCN(Cc1cccc(C[NH3+])c1)C2 ZINC001205164742 812895562 /nfs/dbraw/zinc/89/55/62/812895562.db2.gz RRDOJPZWYZYUMB-UHFFFAOYSA-N 1 3 266.388 3.012 20 0 CGADHO Cc1cccc2c1CCN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001205164750 812896047 /nfs/dbraw/zinc/89/60/47/812896047.db2.gz RXCTVULNDSWEOZ-UHFFFAOYSA-N 1 3 278.399 3.157 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@@H](C)[C@@H](CN)C2)C1(C)C ZINC001205297141 812936971 /nfs/dbraw/zinc/93/69/71/812936971.db2.gz ZWGQXLTZAQUGMF-VNQPRFMTSA-N 1 3 264.457 3.286 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)C1(C)C ZINC001205297141 812936978 /nfs/dbraw/zinc/93/69/78/812936978.db2.gz ZWGQXLTZAQUGMF-VNQPRFMTSA-N 1 3 264.457 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C[NH3+] ZINC001205304348 812942706 /nfs/dbraw/zinc/94/27/06/812942706.db2.gz OATJGLOZCNYJEY-CRAIPNDOSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C(F)(F)F)o2)CC[C@@H]1C[NH3+] ZINC001205639562 813037524 /nfs/dbraw/zinc/03/75/24/813037524.db2.gz ZXNTXBGYQYRBNW-WDEREUQCSA-N 1 3 290.329 3.105 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205904623 813126457 /nfs/dbraw/zinc/12/64/57/813126457.db2.gz WDBPOSXFUCLUJP-XHSDSOJGSA-N 1 3 252.446 3.428 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001205902807 813124753 /nfs/dbraw/zinc/12/47/53/813124753.db2.gz LURBVIZIIAUKPP-VGWMRTNUSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001205902807 813124756 /nfs/dbraw/zinc/12/47/56/813124756.db2.gz LURBVIZIIAUKPP-VGWMRTNUSA-N 1 3 250.430 3.038 20 0 CGADHO CCCc1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)s1 ZINC001205903764 813126257 /nfs/dbraw/zinc/12/62/57/813126257.db2.gz QZIMNULYHNDRFT-CHWSQXEVSA-N 1 3 266.454 3.260 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001205904623 813126456 /nfs/dbraw/zinc/12/64/56/813126456.db2.gz WDBPOSXFUCLUJP-XHSDSOJGSA-N 1 3 252.446 3.428 20 0 CGADHO CC(C)(C)c1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206164892 813222055 /nfs/dbraw/zinc/22/20/55/813222055.db2.gz LNTFAZRHCFHYBG-JKSUJKDBSA-N 1 3 278.415 3.245 20 0 CGADHO Cc1c(F)ccc(CN2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206317533 813287734 /nfs/dbraw/zinc/28/77/34/813287734.db2.gz GQGBMZUZADNAJW-MRXNPFEDSA-N 1 3 282.378 3.224 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2c[nH]c3cc(F)ccc23)C1 ZINC001206547162 813346624 /nfs/dbraw/zinc/34/66/24/813346624.db2.gz CHMZTOIBZLSOGV-KRWDZBQOSA-N 1 3 289.398 3.258 20 0 CGADHO CCOc1cccc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206592213 813366715 /nfs/dbraw/zinc/36/67/15/813366715.db2.gz YJAUIORANHDGPP-QGZVFWFLSA-N 1 3 290.451 3.438 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001206606336 813373465 /nfs/dbraw/zinc/37/34/65/813373465.db2.gz LDVJUYKFVSPGQH-QGZVFWFLSA-N 1 3 274.452 3.413 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001206606336 813373471 /nfs/dbraw/zinc/37/34/71/813373471.db2.gz LDVJUYKFVSPGQH-QGZVFWFLSA-N 1 3 274.452 3.413 20 0 CGADHO Cc1ccc([C@H](C)CCN2CCCC[C@H](C[NH3+])C2)o1 ZINC001206606143 813373552 /nfs/dbraw/zinc/37/35/52/813373552.db2.gz FMIPFBHNMNHTDJ-UKRRQHHQSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@H](CN)C2)o1 ZINC001206606143 813373558 /nfs/dbraw/zinc/37/35/58/813373558.db2.gz FMIPFBHNMNHTDJ-UKRRQHHQSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@H](CN)C2)o1 ZINC001206606143 813373567 /nfs/dbraw/zinc/37/35/67/813373567.db2.gz FMIPFBHNMNHTDJ-UKRRQHHQSA-N 1 3 264.413 3.142 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CCC2(CC[C@H](F)C2)CC1 ZINC001207283087 813534313 /nfs/dbraw/zinc/53/43/13/813534313.db2.gz RFMCLMWACIEGJC-AWEZNQCLSA-N 1 3 270.436 3.178 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](COC)CC(C)(C)C ZINC001207858697 813661150 /nfs/dbraw/zinc/66/11/50/813661150.db2.gz ZHOYMINAGBULOV-GJZGRUSLSA-N 1 3 272.477 3.148 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H](COC)CC(C)(C)C ZINC001207858697 813661152 /nfs/dbraw/zinc/66/11/52/813661152.db2.gz ZHOYMINAGBULOV-GJZGRUSLSA-N 1 3 272.477 3.148 20 0 CGADHO CN1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617021 813777562 /nfs/dbraw/zinc/77/75/62/813777562.db2.gz NZRDEHPEHBKRCI-GUYCJALGSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001208617021 813777566 /nfs/dbraw/zinc/77/75/66/813777566.db2.gz NZRDEHPEHBKRCI-GUYCJALGSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CC2(C1)CC[NH+](CCCCCc1ccccc1)CC2 ZINC001209235835 813980482 /nfs/dbraw/zinc/98/04/82/813980482.db2.gz SSZQFXCGKSIUFK-UHFFFAOYSA-N 1 3 286.463 3.427 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@@]12CCCNC2)c1ccccc1 ZINC001222231856 816379350 /nfs/dbraw/zinc/37/93/50/816379350.db2.gz QCGMNMFGHMSBAG-DOTOQJQBSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@@]12CCCNC2)c1ccccc1 ZINC001222231856 816379356 /nfs/dbraw/zinc/37/93/56/816379356.db2.gz QCGMNMFGHMSBAG-DOTOQJQBSA-N 1 3 258.409 3.008 20 0 CGADHO Cc1cc(F)ccc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222314242 816406103 /nfs/dbraw/zinc/40/61/03/816406103.db2.gz DHFIVEVNDBYMSM-KRWDZBQOSA-N 1 3 276.399 3.242 20 0 CGADHO Cc1c(F)cc(CN2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001222457472 816448326 /nfs/dbraw/zinc/44/83/26/816448326.db2.gz LHBUVAAZJBZGRW-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO Cc1cc(C)c(Cl)c(CN2CCC(F)(C[NH3+])CC2)c1 ZINC001222552486 816466302 /nfs/dbraw/zinc/46/63/02/816466302.db2.gz DTDKAPFPJICWNQ-UHFFFAOYSA-N 1 3 284.806 3.220 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232610501 818396433 /nfs/dbraw/zinc/39/64/33/818396433.db2.gz BRAQAKARPBZOLA-CVEARBPZSA-N 1 3 286.444 3.285 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc4ccsc4c3)C[C@@H]2C1 ZINC001232610501 818396441 /nfs/dbraw/zinc/39/64/41/818396441.db2.gz BRAQAKARPBZOLA-CVEARBPZSA-N 1 3 286.444 3.285 20 0 CGADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614480 818398994 /nfs/dbraw/zinc/39/89/94/818398994.db2.gz GLOGQLORVPROLU-QGZVFWFLSA-N 1 3 286.444 3.429 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614480 818399000 /nfs/dbraw/zinc/39/90/00/818399000.db2.gz GLOGQLORVPROLU-QGZVFWFLSA-N 1 3 286.444 3.429 20 0 CGADHO CCCCN1CCC([N@H+](C)Cc2ccccc2NC)CC1 ZINC001232676298 818416555 /nfs/dbraw/zinc/41/65/55/818416555.db2.gz WWEGEMDHIXNQNP-UHFFFAOYSA-N 1 3 289.467 3.425 20 0 CGADHO CCCCN1CCC([N@@H+](C)Cc2ccccc2NC)CC1 ZINC001232676298 818416561 /nfs/dbraw/zinc/41/65/61/818416561.db2.gz WWEGEMDHIXNQNP-UHFFFAOYSA-N 1 3 289.467 3.425 20 0 CGADHO Cc1ncc(F)cc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001232989476 818493428 /nfs/dbraw/zinc/49/34/28/818493428.db2.gz RYXYNDARBMIJRG-UHFFFAOYSA-N 1 3 293.430 3.081 20 0 CGADHO Cc1cnsc1CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC001233320967 818577374 /nfs/dbraw/zinc/57/73/74/818577374.db2.gz UPIHQBYMTWSALF-UHFFFAOYSA-N 1 3 293.480 3.005 20 0 CGADHO Cc1c(F)ccc(CN2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235093849 818999329 /nfs/dbraw/zinc/99/93/29/818999329.db2.gz RTKDCGUNEXGDIW-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO c1ccn(-c2ccccc2C[N@@H+]2CCCC23CCNCC3)c1 ZINC001235143367 819015732 /nfs/dbraw/zinc/01/57/32/819015732.db2.gz COQDYIBLGPMHKW-UHFFFAOYSA-N 1 3 295.430 3.195 20 0 CGADHO c1ccn(-c2ccccc2C[N@H+]2CCCC23CCNCC3)c1 ZINC001235143367 819015737 /nfs/dbraw/zinc/01/57/37/819015737.db2.gz COQDYIBLGPMHKW-UHFFFAOYSA-N 1 3 295.430 3.195 20 0 CGADHO Cc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cnc1C ZINC001235237277 819043318 /nfs/dbraw/zinc/04/33/18/819043318.db2.gz ADUJUZSBRXEBSY-GOSISDBHSA-N 1 3 287.451 3.053 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@H+](CC2CCCC2)CC3)cc1 ZINC001235361350 819078722 /nfs/dbraw/zinc/07/87/22/819078722.db2.gz FHBGJTXMBFGWBG-PMACEKPBSA-N 1 3 298.474 3.430 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@@H+](CC2CCCC2)CC3)cc1 ZINC001235361350 819078729 /nfs/dbraw/zinc/07/87/29/819078729.db2.gz FHBGJTXMBFGWBG-PMACEKPBSA-N 1 3 298.474 3.430 20 0 CGADHO CN(CCC[NH3+])Cc1ccccc1-c1ccc(F)cc1F ZINC001235444960 819101189 /nfs/dbraw/zinc/10/11/89/819101189.db2.gz SPLSUMFJMQKLJB-UHFFFAOYSA-N 1 3 290.357 3.412 20 0 CGADHO c1ccc(C2(CN3CCCC4(C[NH2+]C4)C3)CCCC2)cc1 ZINC001235711459 819148871 /nfs/dbraw/zinc/14/88/71/819148871.db2.gz PLDPLBWCAOXWTN-UHFFFAOYSA-N 1 3 284.447 3.184 20 0 CGADHO CC[NH2+]C1CCN(C[C@H](C)CCC=C(C)C)CC1 ZINC001235723799 819152104 /nfs/dbraw/zinc/15/21/04/819152104.db2.gz BPWCBVUZHHSZNI-OAHLLOKOSA-N 1 3 252.446 3.443 20 0 CGADHO CC(C)c1ccc(C[C@H](C)CN2CCC[C@H]2C[NH3+])cc1 ZINC001235724799 819153486 /nfs/dbraw/zinc/15/34/86/819153486.db2.gz JLFBEGFEQZVJLE-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CCN(Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC001235761549 819161129 /nfs/dbraw/zinc/16/11/29/819161129.db2.gz MLFCFPIBVRDUPM-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO CC[N@H+](Cc1ccc2ccccc2c1)C1CCNCC1 ZINC001235761549 819161134 /nfs/dbraw/zinc/16/11/34/819161134.db2.gz MLFCFPIBVRDUPM-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO CC[N@@H+](Cc1ccc2ccccc2c1)C1CCNCC1 ZINC001235761549 819161139 /nfs/dbraw/zinc/16/11/39/819161139.db2.gz MLFCFPIBVRDUPM-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO [NH3+]Cc1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC001235808338 819172753 /nfs/dbraw/zinc/17/27/53/819172753.db2.gz BBZHIJSALXTTTA-SFHVURJKSA-N 1 3 298.455 3.435 20 0 CGADHO FC1(CN2CC[C@@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001235824888 819176586 /nfs/dbraw/zinc/17/65/86/819176586.db2.gz CTXJAXMVKQGGDB-CYBMUJFWSA-N 1 3 296.817 3.221 20 0 CGADHO C[C@@H](CN(C)C[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842591 819183139 /nfs/dbraw/zinc/18/31/39/819183139.db2.gz PICWZZDDFNYUOA-JKSUJKDBSA-N 1 3 282.431 3.485 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892240 819201610 /nfs/dbraw/zinc/20/16/10/819201610.db2.gz NIZRETJIWWZOIO-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892240 819201614 /nfs/dbraw/zinc/20/16/14/819201614.db2.gz NIZRETJIWWZOIO-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO CC(C)(C)c1cccc(CN2CCC[C@H]2CC[NH3+])c1 ZINC001235925065 819223164 /nfs/dbraw/zinc/22/31/64/819223164.db2.gz ICXSGEDAIDZBPW-INIZCTEOSA-N 1 3 260.425 3.297 20 0 CGADHO COCC[N@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CCNCC1 ZINC001235945171 819235963 /nfs/dbraw/zinc/23/59/63/819235963.db2.gz BJHWMDDNFGMWCF-INIZCTEOSA-N 1 3 294.483 3.069 20 0 CGADHO COCC[N@@H+](CC[C@@H]1CC=C(C)C1(C)C)C1CCNCC1 ZINC001235945171 819235968 /nfs/dbraw/zinc/23/59/68/819235968.db2.gz BJHWMDDNFGMWCF-INIZCTEOSA-N 1 3 294.483 3.069 20 0 CGADHO COCCN(CC[C@@H]1CC=C(C)C1(C)C)C1CC[NH2+]CC1 ZINC001235945171 819235972 /nfs/dbraw/zinc/23/59/72/819235972.db2.gz BJHWMDDNFGMWCF-INIZCTEOSA-N 1 3 294.483 3.069 20 0 CGADHO C[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950609 819242022 /nfs/dbraw/zinc/24/20/22/819242022.db2.gz INZBXURJYBTOPS-FRFSOERESA-N 1 3 292.854 3.375 20 0 CGADHO C[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950609 819242024 /nfs/dbraw/zinc/24/20/24/819242024.db2.gz INZBXURJYBTOPS-FRFSOERESA-N 1 3 292.854 3.375 20 0 CGADHO CN(C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950609 819242028 /nfs/dbraw/zinc/24/20/28/819242028.db2.gz INZBXURJYBTOPS-FRFSOERESA-N 1 3 292.854 3.375 20 0 CGADHO CC1(CN2CCc3cccc(Cl)c3C2)CC[NH2+]CC1 ZINC001236078446 819304045 /nfs/dbraw/zinc/30/40/45/819304045.db2.gz GOWSFZIIXVYHFN-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO Fc1cccc(F)c1[C@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001236190836 819363507 /nfs/dbraw/zinc/36/35/07/819363507.db2.gz YRUNKWXHYGXNSR-XJKSGUPXSA-N 1 3 294.389 3.491 20 0 CGADHO CCN(Cc1ccc2n1CC[NH2+]C2)Cc1ccc(C)c(C)c1 ZINC001236240914 819400218 /nfs/dbraw/zinc/40/02/18/819400218.db2.gz OKNWFMHIWZPOKT-UHFFFAOYSA-N 1 3 297.446 3.230 20 0 CGADHO C[C@H]1C[C@@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401577 819451366 /nfs/dbraw/zinc/45/13/66/819451366.db2.gz PGKFJCJFDZUGHV-DZGCQCFKSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@H]1C[C@@H]1C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401577 819451369 /nfs/dbraw/zinc/45/13/69/819451369.db2.gz PGKFJCJFDZUGHV-DZGCQCFKSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@H]1C[C@@H]1C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401577 819451376 /nfs/dbraw/zinc/45/13/76/819451376.db2.gz PGKFJCJFDZUGHV-DZGCQCFKSA-N 1 3 276.399 3.036 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](N)[C@@H]2C)cc1 ZINC001236415560 819460555 /nfs/dbraw/zinc/46/05/55/819460555.db2.gz OOUOCGKFBGWPRQ-WMLDXEAASA-N 1 3 260.425 3.164 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H](N)[C@@H]2C)cc1 ZINC001236415560 819460561 /nfs/dbraw/zinc/46/05/61/819460561.db2.gz OOUOCGKFBGWPRQ-WMLDXEAASA-N 1 3 260.425 3.164 20 0 CGADHO Nc1cc[nH+]cc1C1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001236476144 819494341 /nfs/dbraw/zinc/49/43/41/819494341.db2.gz VJUCUDREOWVQLY-SJORKVTESA-N 1 3 291.398 3.314 20 0 CGADHO Cc1ccc2c(c1)CCN(Cc1ccc(C[NH3+])cc1)C2 ZINC001236604892 819550813 /nfs/dbraw/zinc/55/08/13/819550813.db2.gz JDLKDZJIANUDSL-UHFFFAOYSA-N 1 3 266.388 3.012 20 0 CGADHO CCCN(Cc1ccc2nc(C)ccc2c1)C[C@H]1CC[NH2+]C1 ZINC001236833456 819613912 /nfs/dbraw/zinc/61/39/12/819613912.db2.gz BNOZXKDOEFYACB-KRWDZBQOSA-N 1 3 297.446 3.365 20 0 CGADHO CCCN(Cc1c(C)cc(OC)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836523 819616632 /nfs/dbraw/zinc/61/66/32/819616632.db2.gz WTHGWRPTCSUMJO-INIZCTEOSA-N 1 3 290.451 3.134 20 0 CGADHO CC[C@H](N)C[N@H+](C)Cc1ccc(C)c2ccccc12 ZINC001236866202 819626085 /nfs/dbraw/zinc/62/60/85/819626085.db2.gz WFLSBUHKXYDOQO-HNNXBMFYSA-N 1 3 256.393 3.317 20 0 CGADHO CC[C@H](N)C[N@@H+](C)Cc1ccc(C)c2ccccc12 ZINC001236866202 819626087 /nfs/dbraw/zinc/62/60/87/819626087.db2.gz WFLSBUHKXYDOQO-HNNXBMFYSA-N 1 3 256.393 3.317 20 0 CGADHO Cc1cnsc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236963280 819639006 /nfs/dbraw/zinc/63/90/06/819639006.db2.gz ZFXRAPCEWRAPFU-UHFFFAOYSA-N 1 3 293.480 3.053 20 0 CGADHO COc1ccc2cc(CN3CCC[C@@](C)(C[NH3+])C3)ccc2c1 ZINC001237060249 819657167 /nfs/dbraw/zinc/65/71/67/819657167.db2.gz YWCIZXUHCZKHEG-IBGZPJMESA-N 1 3 298.430 3.409 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC001237221987 819702772 /nfs/dbraw/zinc/70/27/72/819702772.db2.gz AYPVNLGMYTWZSH-ROUUACIJSA-N 1 3 287.451 3.108 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC001237221987 819702774 /nfs/dbraw/zinc/70/27/74/819702774.db2.gz AYPVNLGMYTWZSH-ROUUACIJSA-N 1 3 287.451 3.108 20 0 CGADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(N)c1 ZINC001237221987 819702777 /nfs/dbraw/zinc/70/27/77/819702777.db2.gz AYPVNLGMYTWZSH-ROUUACIJSA-N 1 3 287.451 3.108 20 0 CGADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(N)c1 ZINC001237221987 819702779 /nfs/dbraw/zinc/70/27/79/819702779.db2.gz AYPVNLGMYTWZSH-ROUUACIJSA-N 1 3 287.451 3.108 20 0 CGADHO c1ccc2c(c1)CN(C[C@@H]1CC=CCC1)C21CC[NH2+]CC1 ZINC001237301206 819720825 /nfs/dbraw/zinc/72/08/25/819720825.db2.gz UHOWUYONSFRXNE-MRXNPFEDSA-N 1 3 282.431 3.437 20 0 CGADHO Cc1ccnc2cccc(C[NH+]3CCC4(CN(C)C4)CC3)c12 ZINC001237636131 819795818 /nfs/dbraw/zinc/79/58/18/819795818.db2.gz MVBAVPJPJYTKJO-UHFFFAOYSA-N 1 3 295.430 3.071 20 0 CGADHO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(CN)nc2)cc1 ZINC001240370197 820998568 /nfs/dbraw/zinc/99/85/68/820998568.db2.gz DOKZJWXHVKTANR-UHFFFAOYSA-N 1 3 269.392 3.095 20 0 CGADHO CC[NH+](CC)Cc1cc(C2=CCCN(C)C2)ccc1OC ZINC001241572090 821959712 /nfs/dbraw/zinc/95/97/12/821959712.db2.gz PNPSOWCWZQVAFK-UHFFFAOYSA-N 1 3 288.435 3.256 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC001339276581 936364047 /nfs/dbraw/zinc/36/40/47/936364047.db2.gz PJOJGNZVHOSKSY-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC001339276581 936364050 /nfs/dbraw/zinc/36/40/50/936364050.db2.gz PJOJGNZVHOSKSY-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCCNc3ccccc32)C1 ZINC001339276581 936364053 /nfs/dbraw/zinc/36/40/53/936364053.db2.gz PJOJGNZVHOSKSY-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1C[C@H]1CCCNC1 ZINC001339934631 936391518 /nfs/dbraw/zinc/39/15/18/936391518.db2.gz VHSJJNDAJBAEOA-DOTOQJQBSA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CCCNC1 ZINC001339934631 936391526 /nfs/dbraw/zinc/39/15/26/936391526.db2.gz VHSJJNDAJBAEOA-DOTOQJQBSA-N 1 3 272.436 3.254 20 0 CGADHO COc1ccc(C[C@@H](C)N(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001341476382 936439597 /nfs/dbraw/zinc/43/95/97/936439597.db2.gz RJEBSORIMSSDSY-WBVHZDCISA-N 1 3 290.451 3.042 20 0 CGADHO COc1ccc(C[C@@H](C)N(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001341476382 936439600 /nfs/dbraw/zinc/43/96/00/936439600.db2.gz RJEBSORIMSSDSY-WBVHZDCISA-N 1 3 290.451 3.042 20 0 CGADHO CC(C)(CCc1ccccc1)[NH2+]CCCNC1CC1 ZINC000382549964 928788399 /nfs/dbraw/zinc/78/83/99/928788399.db2.gz DVBRUGAWPKTZAA-UHFFFAOYSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCC1 ZINC001462084144 937616872 /nfs/dbraw/zinc/61/68/72/937616872.db2.gz KUACYXMVOVQEGE-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC001462202371 937625002 /nfs/dbraw/zinc/62/50/02/937625002.db2.gz NEBXJKRYJPXINY-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC001462202371 937625003 /nfs/dbraw/zinc/62/50/03/937625003.db2.gz NEBXJKRYJPXINY-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO COC1(CNCCC[N@H+](C)CC(C)C)CCCCCC1 ZINC001462406267 937638813 /nfs/dbraw/zinc/63/88/13/937638813.db2.gz TVSFUVGQULWHPF-UHFFFAOYSA-N 1 3 284.488 3.293 20 0 CGADHO COC1(CNCCC[N@@H+](C)CC(C)C)CCCCCC1 ZINC001462406267 937638814 /nfs/dbraw/zinc/63/88/14/937638814.db2.gz TVSFUVGQULWHPF-UHFFFAOYSA-N 1 3 284.488 3.293 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC[C@@H](C)N(C)C ZINC001462464391 937642831 /nfs/dbraw/zinc/64/28/31/937642831.db2.gz CGXZNFICOIFSLH-ZIAGYGMSSA-N 1 3 274.408 3.294 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC001308553198 933130329 /nfs/dbraw/zinc/13/03/29/933130329.db2.gz IOXDZUFHGSYPHV-GUTXKFCHSA-N 1 3 298.352 3.135 20 0 CGADHO C[C@@H](C[NH2+]C1CCC(C)(N2CCOCC2)CC1)C(C)(C)C ZINC001308941545 933209161 /nfs/dbraw/zinc/20/91/61/933209161.db2.gz CPCREDLLDQXFHA-HJOIGYKYSA-N 1 3 296.499 3.292 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNc2c(C)cnc3ccccc32)C1 ZINC001319798796 933933355 /nfs/dbraw/zinc/93/33/55/933933355.db2.gz MSJLTHZZZDMWKA-OAHLLOKOSA-N 1 3 283.419 3.109 20 0 CGADHO CCC[N@H+]1CC[C@H](CNc2c(C)cnc3ccccc32)C1 ZINC001319798796 933933364 /nfs/dbraw/zinc/93/33/64/933933364.db2.gz MSJLTHZZZDMWKA-OAHLLOKOSA-N 1 3 283.419 3.109 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC001322634790 934322003 /nfs/dbraw/zinc/32/20/03/934322003.db2.gz ZAEJQECDKCSPJV-RDJZCZTQSA-N 1 3 288.435 3.222 20 0 CGADHO Fc1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327513093 935065530 /nfs/dbraw/zinc/06/55/30/935065530.db2.gz SXOSQSNVKAQJMX-GUYCJALGSA-N 1 3 276.399 3.256 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(C(F)F)c1 ZINC001331819660 935412110 /nfs/dbraw/zinc/41/21/10/935412110.db2.gz CJMIIYDJSFLDFY-KGLIPLIRSA-N 1 3 268.351 3.231 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C(F)F)c(F)c1 ZINC001334774824 936112912 /nfs/dbraw/zinc/11/29/12/936112912.db2.gz PJGDNOZUUKRQHO-FZMZJTMJSA-N 1 3 286.341 3.370 20 0 CGADHO CNc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC001474646772 937872892 /nfs/dbraw/zinc/87/28/92/937872892.db2.gz FXGUYIHRRXPTNA-CRAIPNDOSA-N 1 3 289.467 3.281 20 0 CGADHO CNc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC001474646772 937872894 /nfs/dbraw/zinc/87/28/94/937872894.db2.gz FXGUYIHRRXPTNA-CRAIPNDOSA-N 1 3 289.467 3.281 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@@H]2CC23CC3)CC1 ZINC001550543978 938167643 /nfs/dbraw/zinc/16/76/43/938167643.db2.gz MPIKUHMISRPFCM-HNNXBMFYSA-N 1 3 262.441 3.127 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551238505 938178407 /nfs/dbraw/zinc/17/84/07/938178407.db2.gz XGELTLVKORVHDC-PQUAAJSLSA-N 1 3 294.483 3.188 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814086 938277746 /nfs/dbraw/zinc/27/77/46/938277746.db2.gz OXFAAXIKYQHVBB-HKUYNNGSSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814086 938277747 /nfs/dbraw/zinc/27/77/47/938277747.db2.gz OXFAAXIKYQHVBB-HKUYNNGSSA-N 1 3 284.447 3.091 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001561055729 938292805 /nfs/dbraw/zinc/29/28/05/938292805.db2.gz VKWGXOLQCCPMNW-VDERGJSUSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN1CCS[C@H](c2ccccc2)C1 ZINC001575423842 960465540 /nfs/dbraw/zinc/46/55/40/960465540.db2.gz YZWMRYPOVHIBMK-HOTGVXAUSA-N 1 3 278.465 3.007 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN1CCS[C@@H](c2ccccc2)C1 ZINC001575423844 960471670 /nfs/dbraw/zinc/47/16/70/960471670.db2.gz YZWMRYPOVHIBMK-JKSUJKDBSA-N 1 3 278.465 3.007 20 0 CGADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001579467542 960483459 /nfs/dbraw/zinc/48/34/59/960483459.db2.gz NLUWXAGLLRSPKU-APIJFGDWSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCCN2)C12CCC2 ZINC001575248004 962350005 /nfs/dbraw/zinc/35/00/05/962350005.db2.gz SKMQGUJAENEINA-ARFHVFGLSA-N 1 3 294.483 3.235 20 0 CGADHO CC(C)(C)NCC[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC001575150216 962353418 /nfs/dbraw/zinc/35/34/18/962353418.db2.gz PTCCQVBTMJISAX-INIZCTEOSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)[C@@H](c1ccccc1)N(C)Cc1cc(C2C[NH2+]C2)no1 ZINC001575475707 962382487 /nfs/dbraw/zinc/38/24/87/962382487.db2.gz SOVORIPQPXYTAE-SFHVURJKSA-N 1 3 299.418 3.191 20 0 CGADHO C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(C[NH3+])c1 ZINC001576584047 962473838 /nfs/dbraw/zinc/47/38/38/962473838.db2.gz SRTBVCOSQRHDEF-FZMZJTMJSA-N 1 3 286.341 3.308 20 0 CGADHO C[C@H]1CCCN(CCc2ccccc2Cl)[C@H]1CC[NH3+] ZINC001576708414 962486567 /nfs/dbraw/zinc/48/65/67/962486567.db2.gz DBCXOTZNQRXVHA-BBRMVZONSA-N 1 3 280.843 3.332 20 0 CGADHO CC[C@H]1CCCC[C@@H]1N(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254466 962516679 /nfs/dbraw/zinc/51/66/79/962516679.db2.gz LIUPQDQHFMPLCW-JSGCOSHPSA-N 1 3 293.480 3.189 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254558 962518479 /nfs/dbraw/zinc/51/84/79/962518479.db2.gz LVKLDSXJFNGGMJ-TZMCWYRMSA-N 1 3 279.428 3.269 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254558 962518496 /nfs/dbraw/zinc/51/84/96/962518496.db2.gz LVKLDSXJFNGGMJ-TZMCWYRMSA-N 1 3 279.428 3.269 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(SC)s2)CC1 ZINC001578677823 962597286 /nfs/dbraw/zinc/59/72/86/962597286.db2.gz MJTUKWFRTUYYDC-UHFFFAOYSA-N 1 3 284.494 3.292 20 0 CGADHO CSCC[C@@H](C)[N@H+](C)C[C@H](N)CCC(C)(C)C ZINC001579370868 962622463 /nfs/dbraw/zinc/62/24/63/962622463.db2.gz SXCYPONJDTWZNM-CHWSQXEVSA-N 1 3 260.491 3.213 20 0 CGADHO CSCC[C@@H](C)[N@@H+](C)C[C@H](N)CCC(C)(C)C ZINC001579370868 962622470 /nfs/dbraw/zinc/62/24/70/962622470.db2.gz SXCYPONJDTWZNM-CHWSQXEVSA-N 1 3 260.491 3.213 20 0 CGADHO CSc1ccc(CCN[C@@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC001579388162 962623438 /nfs/dbraw/zinc/62/34/38/962623438.db2.gz PPZMMEIOTZJRDO-DZGCQCFKSA-N 1 3 278.465 3.071 20 0 CGADHO [NH3+]CC[C@@H]1CCN(Cc2ccc(Oc3ccccc3)o2)C1 ZINC001580288747 962708115 /nfs/dbraw/zinc/70/81/15/962708115.db2.gz WMYXNJYXTKDLKG-CQSZACIVSA-N 1 3 286.375 3.243 20 0 CGADHO c1c2ccccc2[nH]c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001580895615 962742999 /nfs/dbraw/zinc/74/29/99/962742999.db2.gz OXVNBPHFGFENLM-KRWDZBQOSA-N 1 3 283.419 3.132 20 0 CGADHO FC1(F)C[C@@H]1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000621376552 349512106 /nfs/dbraw/zinc/51/21/06/349512106.db2.gz DJOUOENSNDPLNL-ZDUSSCGKSA-N 1 3 286.410 3.418 20 0 CGADHO FC1(F)C[C@H]1CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000621376551 349512117 /nfs/dbraw/zinc/51/21/17/349512117.db2.gz DJOUOENSNDPLNL-CYBMUJFWSA-N 1 3 286.410 3.418 20 0 CGADHO C[C@@H]([NH2+]CC1CC(C)C1)c1cccc(OCCN(C)C)c1 ZINC000621771348 349584703 /nfs/dbraw/zinc/58/47/03/349584703.db2.gz DIOQOSKRGKVBBG-HWOWSKLDSA-N 1 3 290.451 3.324 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000651706241 398272406 /nfs/dbraw/zinc/27/24/06/398272406.db2.gz XYWBWFFDKBFPIA-HOTGVXAUSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000651706241 398272407 /nfs/dbraw/zinc/27/24/07/398272407.db2.gz XYWBWFFDKBFPIA-HOTGVXAUSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651706241 398272408 /nfs/dbraw/zinc/27/24/08/398272408.db2.gz XYWBWFFDKBFPIA-HOTGVXAUSA-N 1 3 284.488 3.148 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc3c2CCC3)CC1 ZINC000651785945 398287435 /nfs/dbraw/zinc/28/74/35/398287435.db2.gz ADZHKFUXWSLMIJ-KRWDZBQOSA-N 1 3 272.436 3.091 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC000651785945 398287439 /nfs/dbraw/zinc/28/74/39/398287439.db2.gz ADZHKFUXWSLMIJ-KRWDZBQOSA-N 1 3 272.436 3.091 20 0 CGADHO CC[N@H+](CCCN[C@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909972 398304628 /nfs/dbraw/zinc/30/46/28/398304628.db2.gz BYBSJNMZDJEUGQ-MRXNPFEDSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909972 398304631 /nfs/dbraw/zinc/30/46/31/398304631.db2.gz BYBSJNMZDJEUGQ-MRXNPFEDSA-N 1 3 296.499 3.436 20 0 CGADHO CCN(CCC[NH2+][C@H](C)C1CCOCC1)C1CCCCC1 ZINC000651909972 398304633 /nfs/dbraw/zinc/30/46/33/398304633.db2.gz BYBSJNMZDJEUGQ-MRXNPFEDSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@H+](CCCNCC[C@H]1CCOC1)C1CCCCC1 ZINC000651909958 398305039 /nfs/dbraw/zinc/30/50/39/398305039.db2.gz BMLPFTCDLNJOMD-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO CC[N@@H+](CCCNCC[C@H]1CCOC1)C1CCCCC1 ZINC000651909958 398305041 /nfs/dbraw/zinc/30/50/41/398305041.db2.gz BMLPFTCDLNJOMD-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)NC[C@H](C)C[NH3+] ZINC000423300897 529416521 /nfs/dbraw/zinc/41/65/21/529416521.db2.gz SLCMLBLSNGAGRI-DGCLKSJQSA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN ZINC000423300897 529416523 /nfs/dbraw/zinc/41/65/23/529416523.db2.gz SLCMLBLSNGAGRI-DGCLKSJQSA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@@](C)(CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449222040 529501746 /nfs/dbraw/zinc/50/17/46/529501746.db2.gz VHONSSGPTUUAFA-SFHVURJKSA-N 1 3 298.515 3.416 20 0 CGADHO CC[C@@](C)(CO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449222040 529501749 /nfs/dbraw/zinc/50/17/49/529501749.db2.gz VHONSSGPTUUAFA-SFHVURJKSA-N 1 3 298.515 3.416 20 0 CGADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423239675 529605763 /nfs/dbraw/zinc/60/57/63/529605763.db2.gz WHEKVQXIYOFXLF-GWCFXTLKSA-N 1 3 272.339 3.066 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@H]1C[C@@H]1C ZINC000414130853 529605839 /nfs/dbraw/zinc/60/58/39/529605839.db2.gz KBRKULKOFUMKPH-VGWMRTNUSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cc(C)ccc1OC ZINC000425951461 529617640 /nfs/dbraw/zinc/61/76/40/529617640.db2.gz MTKATLOUBZLNCP-HOCLYGCPSA-N 1 3 278.440 3.242 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000423272697 529655978 /nfs/dbraw/zinc/65/59/78/529655978.db2.gz IHRXATGPTAUMBR-FPMFFAJLSA-N 1 3 252.427 3.306 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1F ZINC000423270137 529656067 /nfs/dbraw/zinc/65/60/67/529656067.db2.gz GDCYUUDXBVWBJV-UHOFOFEASA-N 1 3 264.388 3.384 20 0 CGADHO Cc1cccc(OC[C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623372258 349792698 /nfs/dbraw/zinc/79/26/98/349792698.db2.gz MCGMIISPTKKMJI-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(OC[C@H](C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372258 349792701 /nfs/dbraw/zinc/79/27/01/349792701.db2.gz MCGMIISPTKKMJI-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423432190 529663048 /nfs/dbraw/zinc/66/30/48/529663048.db2.gz JDAKXOPKKXBRRR-BHYGNILZSA-N 1 3 294.389 3.394 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000423408283 529671956 /nfs/dbraw/zinc/67/19/56/529671956.db2.gz XEMGOKKWVNXIED-UGFHNGPFSA-N 1 3 298.377 3.327 20 0 CGADHO CSc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623374358 349793613 /nfs/dbraw/zinc/79/36/13/349793613.db2.gz BHKZVCSXQNOILV-AWEZNQCLSA-N 1 3 278.465 3.371 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC1=CCCCC1 ZINC000450593641 282224001 /nfs/dbraw/zinc/22/40/01/282224001.db2.gz BPKHCJKAQJSNMD-FGTMMUONSA-N 1 3 292.467 3.060 20 0 CGADHO CCc1nc(C)c(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000428293668 529722359 /nfs/dbraw/zinc/72/23/59/529722359.db2.gz JHJCCBHBLXHXQE-UHFFFAOYSA-N 1 3 293.455 3.099 20 0 CGADHO CCc1nc(C)c([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000414185515 529729050 /nfs/dbraw/zinc/72/90/50/529729050.db2.gz OUHOPLOQYFTUSV-TZMCWYRMSA-N 1 3 295.496 3.396 20 0 CGADHO CCc1nc(C)c([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414185515 529729051 /nfs/dbraw/zinc/72/90/51/529729051.db2.gz OUHOPLOQYFTUSV-TZMCWYRMSA-N 1 3 295.496 3.396 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503343 349822322 /nfs/dbraw/zinc/82/23/22/349822322.db2.gz WBLWNHBCMQLQGB-NWDGAFQWSA-N 1 3 280.378 3.426 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503343 349822327 /nfs/dbraw/zinc/82/23/27/349822327.db2.gz WBLWNHBCMQLQGB-NWDGAFQWSA-N 1 3 280.378 3.426 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H]2CCC[C@H]21 ZINC000414174187 529807028 /nfs/dbraw/zinc/80/70/28/529807028.db2.gz XVNANSCHZGFEOK-FZMABENVSA-N 1 3 288.410 3.144 20 0 CGADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H]2CCC[C@H]21 ZINC000414174187 529807029 /nfs/dbraw/zinc/80/70/29/529807029.db2.gz XVNANSCHZGFEOK-FZMABENVSA-N 1 3 288.410 3.144 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000623655435 349856829 /nfs/dbraw/zinc/85/68/29/349856829.db2.gz XOXOKCNHKDPYDQ-MRXNPFEDSA-N 1 3 283.419 3.056 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000623654565 349856876 /nfs/dbraw/zinc/85/68/76/349856876.db2.gz COORDLRYRQBYJL-CQSZACIVSA-N 1 3 266.816 3.162 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623656148 349857134 /nfs/dbraw/zinc/85/71/34/349857134.db2.gz OBSBWSFHBZYIFR-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2nc(C)cs2)CC1 ZINC000623887635 349905415 /nfs/dbraw/zinc/90/54/15/349905415.db2.gz ILYZUQRSRDLXMT-ZDUSSCGKSA-N 1 3 281.469 3.224 20 0 CGADHO COc1cc(C)ccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000037197202 344948103 /nfs/dbraw/zinc/94/81/03/344948103.db2.gz MFICFZVVTMOOEP-AWEZNQCLSA-N 1 3 278.440 3.242 20 0 CGADHO CC[NH+]1CCC(CNCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000044517412 345011559 /nfs/dbraw/zinc/01/15/59/345011559.db2.gz PEEMMFLXYSFOPC-CZUORRHYSA-N 1 3 276.424 3.225 20 0 CGADHO COc1ccc(C)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000056524126 345166718 /nfs/dbraw/zinc/16/67/18/345166718.db2.gz ACHHDXVJWXBHKY-UHFFFAOYSA-N 1 3 290.451 3.167 20 0 CGADHO Cc1ccc2nccc(N[C@H](C)C3CC[NH+](C)CC3)c2c1 ZINC000623968933 349931762 /nfs/dbraw/zinc/93/17/62/349931762.db2.gz QUNPLXQXDFDYCS-CQSZACIVSA-N 1 3 283.419 3.107 20 0 CGADHO Cc1ccc(CNCCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000234323743 346331286 /nfs/dbraw/zinc/33/12/86/346331286.db2.gz HKXQBTJBAHNYET-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000227569184 346309819 /nfs/dbraw/zinc/30/98/19/346309819.db2.gz LHJZJNKVBXBWEA-MRVWCRGKSA-N 1 3 250.361 3.055 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000252694274 346392076 /nfs/dbraw/zinc/39/20/76/346392076.db2.gz ZNLHZPGRNXPLOC-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000594784484 347216698 /nfs/dbraw/zinc/21/66/98/347216698.db2.gz MRSCCJHSZDMJCS-JBXOJTMHSA-N 1 3 258.409 3.021 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CCC[N@H+](C)C1 ZINC000594784484 347216699 /nfs/dbraw/zinc/21/66/99/347216699.db2.gz MRSCCJHSZDMJCS-JBXOJTMHSA-N 1 3 258.409 3.021 20 0 CGADHO CCSC1(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000596652884 347498275 /nfs/dbraw/zinc/49/82/75/347498275.db2.gz QFRBVSLMPHRNAU-ZIAGYGMSSA-N 1 3 262.422 3.007 20 0 CGADHO CCCC(C)(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000600805826 347838411 /nfs/dbraw/zinc/83/84/11/347838411.db2.gz KSPUBCHCWZUDHF-UHFFFAOYSA-N 1 3 278.440 3.295 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119865 349977404 /nfs/dbraw/zinc/97/74/04/349977404.db2.gz LBXWHFOAIAORCZ-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120840 349978120 /nfs/dbraw/zinc/97/81/20/349978120.db2.gz ICPCGCTWZYLJJO-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO Fc1ccccc1[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000339381123 215135376 /nfs/dbraw/zinc/13/53/76/215135376.db2.gz ZJLALUJLQWAZPA-INIZCTEOSA-N 1 3 290.426 3.491 20 0 CGADHO Fc1ccccc1[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000339381123 215135378 /nfs/dbraw/zinc/13/53/78/215135378.db2.gz ZJLALUJLQWAZPA-INIZCTEOSA-N 1 3 290.426 3.491 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624123246 349983224 /nfs/dbraw/zinc/98/32/24/349983224.db2.gz IQLDPDLPWWDRPO-QKPAOTATSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCCCOc2ccccc2)C1 ZINC000339407545 215153574 /nfs/dbraw/zinc/15/35/74/215153574.db2.gz OYJDZWJSFJCAFE-DLBZAZTESA-N 1 3 290.451 3.295 20 0 CGADHO CCOc1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000339497096 215210048 /nfs/dbraw/zinc/21/00/48/215210048.db2.gz DXNNBHQFMKBDRL-UHFFFAOYSA-N 1 3 290.451 3.441 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000624309343 350023025 /nfs/dbraw/zinc/02/30/25/350023025.db2.gz KGIDDWBZFVRXNK-LMSBXDPUSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000624313174 350024625 /nfs/dbraw/zinc/02/46/25/350024625.db2.gz GYVUSHWAYMLZQU-AWEZNQCLSA-N 1 3 264.457 3.419 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213167 191004831 /nfs/dbraw/zinc/00/48/31/191004831.db2.gz VLIBJZBBKRVTHU-RDJZCZTQSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213167 191004834 /nfs/dbraw/zinc/00/48/34/191004834.db2.gz VLIBJZBBKRVTHU-RDJZCZTQSA-N 1 3 290.451 3.166 20 0 CGADHO Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000628278469 350475485 /nfs/dbraw/zinc/47/54/85/350475485.db2.gz RMSAIYUALSWSPR-DLBZAZTESA-N 1 3 274.452 3.418 20 0 CGADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425693 350537015 /nfs/dbraw/zinc/53/70/15/350537015.db2.gz SHAJADLNRUQLLK-DOTOQJQBSA-N 1 3 290.451 3.035 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000629527864 350702922 /nfs/dbraw/zinc/70/29/22/350702922.db2.gz IAGCEMYYQWYNCB-RRFJBIMHSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CN1 ZINC000629535387 350705244 /nfs/dbraw/zinc/70/52/44/350705244.db2.gz CEEZRMUGMAUGLG-PBFPGSCMSA-N 1 3 283.419 3.275 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537723 350706030 /nfs/dbraw/zinc/70/60/30/350706030.db2.gz KPKLWEXRUGJMQU-KBRIMQKVSA-N 1 3 278.415 3.123 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556740 350712626 /nfs/dbraw/zinc/71/26/26/350712626.db2.gz XIPBXPLQSTWCBO-ZNMIVQPWSA-N 1 3 264.800 3.187 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629407712 350689339 /nfs/dbraw/zinc/68/93/39/350689339.db2.gz IVNRFRNLJWDMQJ-BHYGNILZSA-N 1 3 260.425 3.128 20 0 CGADHO Cc1cc(C)c(/C=C\CNC2CC[NH+](C)CC2)c(C)c1 ZINC000631035548 350931943 /nfs/dbraw/zinc/93/19/43/350931943.db2.gz LLAFDMCYFOPHHD-WAYWQWQTSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)F ZINC000631661038 351108669 /nfs/dbraw/zinc/10/86/69/351108669.db2.gz ZVVHANCXCSDUPA-GOEBONIOSA-N 1 3 278.415 3.235 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)F ZINC000631661038 351108670 /nfs/dbraw/zinc/10/86/70/351108670.db2.gz ZVVHANCXCSDUPA-GOEBONIOSA-N 1 3 278.415 3.235 20 0 CGADHO C[C@H](NCC(C)(C)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000631659201 351109008 /nfs/dbraw/zinc/10/90/08/351109008.db2.gz QSHQPFLVKDXPFI-ZDUSSCGKSA-N 1 3 282.403 3.026 20 0 CGADHO FC(F)(F)c1ccc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC000631834802 351149535 /nfs/dbraw/zinc/14/95/35/351149535.db2.gz FXCJEINJRAQEII-UHFFFAOYSA-N 1 3 298.352 3.063 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631891056 351153324 /nfs/dbraw/zinc/15/33/24/351153324.db2.gz VRFXBZAAHQBVNR-ZHALLVOQSA-N 1 3 284.447 3.180 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631891056 351153327 /nfs/dbraw/zinc/15/33/27/351153327.db2.gz VRFXBZAAHQBVNR-ZHALLVOQSA-N 1 3 284.447 3.180 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000336506051 213382285 /nfs/dbraw/zinc/38/22/85/213382285.db2.gz QIRIMDYAUPMMNQ-LBPRGKRZSA-N 1 3 280.362 3.101 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634734171 351580034 /nfs/dbraw/zinc/58/00/34/351580034.db2.gz YNDJSMUMLVUPJQ-ZFWWWQNUSA-N 1 3 280.481 3.437 20 0 CGADHO C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccs1 ZINC000635004725 351622753 /nfs/dbraw/zinc/62/27/53/351622753.db2.gz KEENZZLUKCQVGM-HIFRSBDPSA-N 1 3 274.433 3.359 20 0 CGADHO CC1CCC([NH2+]CC[C@@H](N)Cc2ccccc2)CC1 ZINC000635007306 351625406 /nfs/dbraw/zinc/62/54/06/351625406.db2.gz VYOADFSSWPPZRG-ARWYELJZSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635012564 351630737 /nfs/dbraw/zinc/63/07/37/351630737.db2.gz WGVQKSSJZZEDKD-XOBRGWDASA-N 1 3 292.426 3.355 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000339849287 215363456 /nfs/dbraw/zinc/36/34/56/215363456.db2.gz KLJZZNSQXUNBBM-GOSISDBHSA-N 1 3 272.436 3.159 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000339849287 215363457 /nfs/dbraw/zinc/36/34/57/215363457.db2.gz KLJZZNSQXUNBBM-GOSISDBHSA-N 1 3 272.436 3.159 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccc(C)o2)CC1 ZINC000122802323 187052865 /nfs/dbraw/zinc/05/28/65/187052865.db2.gz ZCNGPOMAENOSMI-AWEZNQCLSA-N 1 3 264.413 3.361 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000156194314 188248899 /nfs/dbraw/zinc/24/88/99/188248899.db2.gz WMPOLWNSZSKILJ-VYDXJSESSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000156194314 188248900 /nfs/dbraw/zinc/24/89/00/188248900.db2.gz WMPOLWNSZSKILJ-VYDXJSESSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCCC1(C)C ZINC000094303057 290387483 /nfs/dbraw/zinc/38/74/83/290387483.db2.gz KTGALHKIRBAQGJ-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271833296 191355408 /nfs/dbraw/zinc/35/54/08/191355408.db2.gz FHGKPKBALGGGPK-MRXNPFEDSA-N 1 3 272.436 3.168 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]CC2=CCN(C)CC2)C2CC2)cc1 ZINC000271822213 191349126 /nfs/dbraw/zinc/34/91/26/191349126.db2.gz CKGZGCJYQSSCOV-LJQANCHMSA-N 1 3 284.447 3.168 20 0 CGADHO CN1CC=C(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271886439 191390134 /nfs/dbraw/zinc/39/01/34/191390134.db2.gz QUSULNDJCODNHM-QGZVFWFLSA-N 1 3 274.383 3.128 20 0 CGADHO Cc1ccoc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000093688629 138348148 /nfs/dbraw/zinc/34/81/48/138348148.db2.gz GEEIPJGTADOOSL-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO COc1ccc(CCCN(C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000124991039 138379297 /nfs/dbraw/zinc/37/92/97/138379297.db2.gz HEPARBQYKYFZTP-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO COc1ccc(CCCN(C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000124991039 138379298 /nfs/dbraw/zinc/37/92/98/138379298.db2.gz HEPARBQYKYFZTP-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000422884337 235936820 /nfs/dbraw/zinc/93/68/20/235936820.db2.gz RVYOCRUHCNAVPV-DCAQKATOSA-N 1 3 272.339 3.064 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423055730 235964675 /nfs/dbraw/zinc/96/46/75/235964675.db2.gz WKEAQKHDBDRXSM-VXGBXAGGSA-N 1 3 270.367 3.003 20 0 CGADHO COc1ccc([C@H](N[C@H](C)CCC[NH3+])c2ccco2)cc1 ZINC000423170083 235985880 /nfs/dbraw/zinc/98/58/80/235985880.db2.gz XJIHWRPGHJQQOT-DYVFJYSZSA-N 1 3 288.391 3.095 20 0 CGADHO C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286110 236023349 /nfs/dbraw/zinc/02/33/49/236023349.db2.gz ZQAXYNWYYLMNBB-NOZJJQNGSA-N 1 3 278.783 3.474 20 0 CGADHO CCOc1ccccc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423284811 236023497 /nfs/dbraw/zinc/02/34/97/236023497.db2.gz YOAACYAGQAFXDM-OFQRWUPVSA-N 1 3 276.424 3.253 20 0 CGADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]CC(C)(C)N)CC2 ZINC000423290015 236025623 /nfs/dbraw/zinc/02/56/23/236025623.db2.gz ZADYUFCZPKPOGS-LBPRGKRZSA-N 1 3 297.240 3.072 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423274357 236017823 /nfs/dbraw/zinc/01/78/23/236017823.db2.gz KDVOYPKGKANIDQ-IIYDPXPESA-N 1 3 296.405 3.393 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]CC2CNC2)c1 ZINC000423328925 236040000 /nfs/dbraw/zinc/04/00/00/236040000.db2.gz SSAUJTDPRMBKCI-LSDHHAIUSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CCC[C@H]2NCC2C[NH2+]C2)c1 ZINC000423328925 236040002 /nfs/dbraw/zinc/04/00/02/236040002.db2.gz SSAUJTDPRMBKCI-LSDHHAIUSA-N 1 3 298.352 3.151 20 0 CGADHO [NH3+]C1(CN[C@@H](Cc2ccccc2Cl)C2CC2)CCC1 ZINC000423333613 236041971 /nfs/dbraw/zinc/04/19/71/236041971.db2.gz RYTGRJBMSNRPKF-HNNXBMFYSA-N 1 3 278.827 3.132 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423342341 236044725 /nfs/dbraw/zinc/04/47/25/236044725.db2.gz KTPCPHDBHBKWFW-JTQLQIEISA-N 1 3 268.763 3.049 20 0 CGADHO c1ccc([C@H]2CC[C@@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423362222 236050505 /nfs/dbraw/zinc/05/05/05/236050505.db2.gz MXVDCEBMPFAJOL-GVDBMIGSSA-N 1 3 258.409 3.054 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc2c1CNC2 ZINC000423382043 236057498 /nfs/dbraw/zinc/05/74/98/236057498.db2.gz JSHVVUXDTVVVMC-QZTJIDSGSA-N 1 3 270.420 3.348 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423383773 236057699 /nfs/dbraw/zinc/05/76/99/236057699.db2.gz KRWOFHCTOKWLFQ-OWCLPIDISA-N 1 3 262.372 3.136 20 0 CGADHO COc1ccc([C@@H](C)NCCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000423477171 236080945 /nfs/dbraw/zinc/08/09/45/236080945.db2.gz JRPGZDVWCYXLPF-OLZOCXBDSA-N 1 3 280.387 3.017 20 0 CGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cncs1 ZINC000423505686 236089869 /nfs/dbraw/zinc/08/98/69/236089869.db2.gz OSRAYGJQSBBBKM-GXTWGEPZSA-N 1 3 275.421 3.274 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccsc1Cl)CC[NH2+]CC2 ZINC000424386975 236158908 /nfs/dbraw/zinc/15/89/08/236158908.db2.gz XWTHKBLZODLGKY-NSHDSACASA-N 1 3 284.856 3.366 20 0 CGADHO COc1ccc([C@H](C)NCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000424323357 236149447 /nfs/dbraw/zinc/14/94/47/236149447.db2.gz VVVCOPPFZVWUAK-LBPRGKRZSA-N 1 3 296.842 3.341 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)CN(C)C ZINC000425915112 236273393 /nfs/dbraw/zinc/27/33/93/236273393.db2.gz CRZPMZZEDCPJJV-OLZOCXBDSA-N 1 3 284.394 3.073 20 0 CGADHO Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000294734249 199157843 /nfs/dbraw/zinc/15/78/43/199157843.db2.gz DOAMXANXNHDNAS-ALOPSCKCSA-N 1 3 258.409 3.018 20 0 CGADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000092739407 299289973 /nfs/dbraw/zinc/28/99/73/299289973.db2.gz VSOHGPYEPZLRHX-BBWFWOEESA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000092739407 299289977 /nfs/dbraw/zinc/28/99/77/299289977.db2.gz VSOHGPYEPZLRHX-BBWFWOEESA-N 1 3 289.467 3.490 20 0 CGADHO CC[C@H]([NH2+]CCCN(C)C)c1ccccc1OC(F)F ZINC000178115227 189091735 /nfs/dbraw/zinc/09/17/35/189091735.db2.gz QNNZLJJUOQZMGC-ZDUSSCGKSA-N 1 3 286.366 3.280 20 0 CGADHO CC/C=C/CCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342251821 216278513 /nfs/dbraw/zinc/27/85/13/216278513.db2.gz RGLUCESEJSEPGG-DWTRPJMMSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C/CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251821 216278516 /nfs/dbraw/zinc/27/85/16/216278516.db2.gz RGLUCESEJSEPGG-DWTRPJMMSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C/CC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000342251821 216278518 /nfs/dbraw/zinc/27/85/18/216278518.db2.gz RGLUCESEJSEPGG-DWTRPJMMSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C/CC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000342251821 216278520 /nfs/dbraw/zinc/27/85/20/216278520.db2.gz RGLUCESEJSEPGG-DWTRPJMMSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000449233019 239257942 /nfs/dbraw/zinc/25/79/42/239257942.db2.gz KBNZYKOXWIRDSY-INMHGKMJSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449233019 239257947 /nfs/dbraw/zinc/25/79/47/239257947.db2.gz KBNZYKOXWIRDSY-INMHGKMJSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233019 239257950 /nfs/dbraw/zinc/25/79/50/239257950.db2.gz KBNZYKOXWIRDSY-INMHGKMJSA-N 1 3 290.451 3.453 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000450813025 240095275 /nfs/dbraw/zinc/09/52/75/240095275.db2.gz RPXNRXHNKLCVPO-MRXNPFEDSA-N 1 3 295.430 3.348 20 0 CGADHO Cc1cnccc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000450813025 240095282 /nfs/dbraw/zinc/09/52/82/240095282.db2.gz RPXNRXHNKLCVPO-MRXNPFEDSA-N 1 3 295.430 3.348 20 0 CGADHO Cc1cnccc1N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000450813025 240095284 /nfs/dbraw/zinc/09/52/84/240095284.db2.gz RPXNRXHNKLCVPO-MRXNPFEDSA-N 1 3 295.430 3.348 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000335570362 212280253 /nfs/dbraw/zinc/28/02/53/212280253.db2.gz SRQBOPNCLUUBFI-SJORKVTESA-N 1 3 258.409 3.213 20 0 CGADHO Cc1cc(F)c(CNCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000459422622 242103270 /nfs/dbraw/zinc/10/32/70/242103270.db2.gz GBMDJFGYNYSVLH-UHFFFAOYSA-N 1 3 284.806 3.219 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000340440628 291390317 /nfs/dbraw/zinc/39/03/17/291390317.db2.gz PVCBNEXYFHRPCC-AKHDSKFASA-N 1 3 284.447 3.397 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000340440628 291390320 /nfs/dbraw/zinc/39/03/20/291390320.db2.gz PVCBNEXYFHRPCC-AKHDSKFASA-N 1 3 284.447 3.397 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462481323 242346310 /nfs/dbraw/zinc/34/63/10/242346310.db2.gz RSMMCKVLHJJRSF-GJZGRUSLSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462481323 242346315 /nfs/dbraw/zinc/34/63/15/242346315.db2.gz RSMMCKVLHJJRSF-GJZGRUSLSA-N 1 3 283.419 3.168 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1C1CC1)CN1CCCC1 ZINC000477922306 243061438 /nfs/dbraw/zinc/06/14/38/243061438.db2.gz ZTSRSYRMSWFTOD-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000480671482 243159478 /nfs/dbraw/zinc/15/94/78/243159478.db2.gz NAVSJFNHYYLTRQ-RHSMWYFYSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000480671482 243159480 /nfs/dbraw/zinc/15/94/80/243159480.db2.gz NAVSJFNHYYLTRQ-RHSMWYFYSA-N 1 3 260.425 3.382 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000480161927 243139951 /nfs/dbraw/zinc/13/99/51/243139951.db2.gz KIBSGKFUBUOBKQ-LJQANCHMSA-N 1 3 286.463 3.392 20 0 CGADHO C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)CN1CCCC1 ZINC000481314314 243186106 /nfs/dbraw/zinc/18/61/06/243186106.db2.gz BANGCIOZMWXELB-QFBILLFUSA-N 1 3 286.463 3.329 20 0 CGADHO C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1CC1(C)C ZINC000486985959 243392162 /nfs/dbraw/zinc/39/21/62/243392162.db2.gz XCVCXHOAKBCTAV-GDBMZVCRSA-N 1 3 290.451 3.151 20 0 CGADHO CCCOc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000020087851 368799761 /nfs/dbraw/zinc/79/97/61/368799761.db2.gz VTGSLUZAVRPMKF-UHFFFAOYSA-N 1 3 278.440 3.153 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2cc(C)ccc2C)CC1 ZINC000035010575 368988454 /nfs/dbraw/zinc/98/84/54/368988454.db2.gz SPQHABRJFXYFGN-OAHLLOKOSA-N 1 3 260.425 3.438 20 0 CGADHO COc1ccc([C@@H](NCCCC[NH3+])c2ccccc2)cc1 ZINC000037715274 369100334 /nfs/dbraw/zinc/10/03/34/369100334.db2.gz KUUBTNOBWLNUMZ-SFHVURJKSA-N 1 3 284.403 3.113 20 0 CGADHO C[C@H](C[NH2+]C1CCCCCC1)CN1CCCCC1 ZINC000037997607 369136580 /nfs/dbraw/zinc/13/65/80/369136580.db2.gz XORWWILFYKQEPK-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@@H](Nc1ccnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000050164227 369430770 /nfs/dbraw/zinc/43/07/70/369430770.db2.gz UHTACCOBGMCTSQ-OLZOCXBDSA-N 1 3 255.365 3.035 20 0 CGADHO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc2ccccc21 ZINC000052062080 369462679 /nfs/dbraw/zinc/46/26/79/369462679.db2.gz SLTSULWZJKGSJM-BBRMVZONSA-N 1 3 254.377 3.151 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000129007546 370970627 /nfs/dbraw/zinc/97/06/27/370970627.db2.gz LKCPCGUQEVRZCO-CYBMUJFWSA-N 1 3 266.816 3.080 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCc2sccc21)CN1CCCC1 ZINC000062079037 369619125 /nfs/dbraw/zinc/61/91/25/369619125.db2.gz DOCKOUCDJIWUMK-HIFRSBDPSA-N 1 3 278.465 3.447 20 0 CGADHO C(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000093451431 370132557 /nfs/dbraw/zinc/13/25/57/370132557.db2.gz PCBTXIGUWCSRNI-KURKYZTESA-N 1 3 294.483 3.236 20 0 CGADHO c1csc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488251 370135368 /nfs/dbraw/zinc/13/53/68/370135368.db2.gz VFBAXFXYRCAWCB-HRCADAONSA-N 1 3 278.465 3.191 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2sccc2C)[C@H](C)C1 ZINC000093639033 370150299 /nfs/dbraw/zinc/15/02/99/370150299.db2.gz BLKLOVAGGATWFR-KGLIPLIRSA-N 1 3 266.454 3.219 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2sccc2C)[C@H](C)C1 ZINC000093639033 370150304 /nfs/dbraw/zinc/15/03/04/370150304.db2.gz BLKLOVAGGATWFR-KGLIPLIRSA-N 1 3 266.454 3.219 20 0 CGADHO Cc1cccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000093644252 370151530 /nfs/dbraw/zinc/15/15/30/370151530.db2.gz ULFGRZOYJAQBGE-PBHICJAKSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000093644252 370151536 /nfs/dbraw/zinc/15/15/36/370151536.db2.gz ULFGRZOYJAQBGE-PBHICJAKSA-N 1 3 260.425 3.218 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753135 370156056 /nfs/dbraw/zinc/15/60/56/370156056.db2.gz YJHZPZGBIZVDCJ-OAHLLOKOSA-N 1 3 285.435 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753135 370156061 /nfs/dbraw/zinc/15/60/61/370156061.db2.gz YJHZPZGBIZVDCJ-OAHLLOKOSA-N 1 3 285.435 3.332 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@H]([C@@H](C)[NH3+])C3)ccc2n1 ZINC000097862646 370256080 /nfs/dbraw/zinc/25/60/80/370256080.db2.gz MHNLHBBIPXKUFF-PBHICJAKSA-N 1 3 283.419 3.102 20 0 CGADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)C1CC1 ZINC000112344441 370422339 /nfs/dbraw/zinc/42/23/39/370422339.db2.gz KHTHLYRUEFUTPZ-UHFFFAOYSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1ccc(F)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000219569078 376202124 /nfs/dbraw/zinc/20/21/24/376202124.db2.gz HZAMHKRLCZYGIV-KRWDZBQOSA-N 1 3 276.399 3.098 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C(C)(C)c1ccccc1 ZINC000423366671 299422051 /nfs/dbraw/zinc/42/20/51/299422051.db2.gz BZTJSNPYFVPWDQ-BPUTZDHNSA-N 1 3 260.425 3.212 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134864982 371370517 /nfs/dbraw/zinc/37/05/17/371370517.db2.gz BTCXMKNJNRPEFQ-IEBWSBKVSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134864982 371370520 /nfs/dbraw/zinc/37/05/20/371370520.db2.gz BTCXMKNJNRPEFQ-IEBWSBKVSA-N 1 3 284.447 3.444 20 0 CGADHO C(C1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134880419 371372423 /nfs/dbraw/zinc/37/24/23/371372423.db2.gz MBCSZWDJRCJPEM-WBVHZDCISA-N 1 3 262.441 3.125 20 0 CGADHO C(C1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134880419 371372427 /nfs/dbraw/zinc/37/24/27/371372427.db2.gz MBCSZWDJRCJPEM-WBVHZDCISA-N 1 3 262.441 3.125 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[NH2+]CCCN2CCCCC2)cc1 ZINC000135611008 371439820 /nfs/dbraw/zinc/43/98/20/371439820.db2.gz KWXXNSASFZIWOX-ROUUACIJSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@H](C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000421876758 371693471 /nfs/dbraw/zinc/69/34/71/371693471.db2.gz JYWSLNHSJBHPPK-LSDHHAIUSA-N 1 3 278.440 3.324 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc2cccnc12 ZINC000422558547 371750149 /nfs/dbraw/zinc/75/01/49/371750149.db2.gz BDETVWCTTAKELZ-XUWXXGDYSA-N 1 3 297.446 3.348 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422700916 371756301 /nfs/dbraw/zinc/75/63/01/371756301.db2.gz HOLFIEZCPYDLMX-KBPBESRZSA-N 1 3 298.352 3.206 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)c1cccc(F)c1 ZINC000422762416 371792389 /nfs/dbraw/zinc/79/23/89/371792389.db2.gz NTVDOZIAUJUHFP-XJKSGUPXSA-N 1 3 278.415 3.210 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000422713165 371764064 /nfs/dbraw/zinc/76/40/64/371764064.db2.gz PHWCYQRMZWMZOM-UONOGXRCSA-N 1 3 266.816 3.087 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726375 371769851 /nfs/dbraw/zinc/76/98/51/371769851.db2.gz DSWXHXYCYSUZAR-KGLIPLIRSA-N 1 3 252.789 3.090 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000422737563 371776783 /nfs/dbraw/zinc/77/67/83/371776783.db2.gz ZUWIVUUZGJSJOO-STQMWFEESA-N 1 3 263.429 3.324 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1csc2ccccc12 ZINC000422751826 371784799 /nfs/dbraw/zinc/78/47/99/371784799.db2.gz CZNGWGGMMWZXLD-SWLSCSKDSA-N 1 3 274.433 3.379 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)COC(C)C)cc1 ZINC000337336551 214014123 /nfs/dbraw/zinc/01/41/23/214014123.db2.gz MEEGKFSAOQNMBE-INIZCTEOSA-N 1 3 292.467 3.432 20 0 CGADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000337340908 214016589 /nfs/dbraw/zinc/01/65/89/214016589.db2.gz PUXDXXJWINVEPX-INIZCTEOSA-N 1 3 292.467 3.430 20 0 CGADHO CC(C)OC[C@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000337340908 214016590 /nfs/dbraw/zinc/01/65/90/214016590.db2.gz PUXDXXJWINVEPX-INIZCTEOSA-N 1 3 292.467 3.430 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422831389 371832823 /nfs/dbraw/zinc/83/28/23/371832823.db2.gz SOKRNBYUDBJEKA-IRXDYDNUSA-N 1 3 276.424 3.223 20 0 CGADHO Cc1ccccc1[C@@H](N[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422835402 371833361 /nfs/dbraw/zinc/83/33/61/371833361.db2.gz ISHKTCZCWOWVJE-CZUORRHYSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000422835402 371833362 /nfs/dbraw/zinc/83/33/62/371833362.db2.gz ISHKTCZCWOWVJE-CZUORRHYSA-N 1 3 260.425 3.280 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422768014 371795245 /nfs/dbraw/zinc/79/52/45/371795245.db2.gz NMHQXCPTXNFHNS-CZUORRHYSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422768014 371795253 /nfs/dbraw/zinc/79/52/53/371795253.db2.gz NMHQXCPTXNFHNS-CZUORRHYSA-N 1 3 292.854 3.349 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422773217 371797047 /nfs/dbraw/zinc/79/70/47/371797047.db2.gz ZMBHGHSOAFEHDM-XJKSGUPXSA-N 1 3 296.455 3.415 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000422774532 371798970 /nfs/dbraw/zinc/79/89/70/371798970.db2.gz XJJXWXOARDJZLE-FZMZJTMJSA-N 1 3 284.856 3.149 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774532 371798975 /nfs/dbraw/zinc/79/89/75/371798975.db2.gz XJJXWXOARDJZLE-FZMZJTMJSA-N 1 3 284.856 3.149 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Sc1ccccc1 ZINC000422780804 371803026 /nfs/dbraw/zinc/80/30/26/371803026.db2.gz DPYLCXXSHNHKFM-FMKPAKJESA-N 1 3 278.465 3.274 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Sc1ccccc1 ZINC000422780804 371803034 /nfs/dbraw/zinc/80/30/34/371803034.db2.gz DPYLCXXSHNHKFM-FMKPAKJESA-N 1 3 278.465 3.274 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000422836928 371834264 /nfs/dbraw/zinc/83/42/64/371834264.db2.gz KZXHEWFLHUJDAZ-UONOGXRCSA-N 1 3 262.441 3.242 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422836928 371834271 /nfs/dbraw/zinc/83/42/71/371834271.db2.gz KZXHEWFLHUJDAZ-UONOGXRCSA-N 1 3 262.441 3.242 20 0 CGADHO COc1cccc(F)c1[C@@H](C)N[C@@H](C)CCCC[NH3+] ZINC000422783466 371806395 /nfs/dbraw/zinc/80/63/95/371806395.db2.gz HNERYWGKHNAEEN-NWDGAFQWSA-N 1 3 268.376 3.002 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422786903 371808626 /nfs/dbraw/zinc/80/86/26/371808626.db2.gz TWYALMOZFDTZGV-QGTPRVQTSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422786903 371808633 /nfs/dbraw/zinc/80/86/33/371808633.db2.gz TWYALMOZFDTZGV-QGTPRVQTSA-N 1 3 288.435 3.180 20 0 CGADHO COc1cc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1C ZINC000422790669 371811149 /nfs/dbraw/zinc/81/11/49/371811149.db2.gz VDXHBBLZOPIJNQ-ZWKOTPCHSA-N 1 3 296.414 3.281 20 0 CGADHO CC(C)CSCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000154121145 371818035 /nfs/dbraw/zinc/81/80/35/371818035.db2.gz XAZYOVOWSAUNGS-MRXNPFEDSA-N 1 3 284.513 3.183 20 0 CGADHO CC(C)CSCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000154121145 371818044 /nfs/dbraw/zinc/81/80/44/371818044.db2.gz XAZYOVOWSAUNGS-MRXNPFEDSA-N 1 3 284.513 3.183 20 0 CGADHO CC[C@@H](N[C@@H](C)CCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000422805686 371821024 /nfs/dbraw/zinc/82/10/24/371821024.db2.gz HBSNAKGMDSIXPJ-DTWKUNHWSA-N 1 3 295.374 3.330 20 0 CGADHO COc1cc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])ccc1OC(C)C ZINC000422814927 371827460 /nfs/dbraw/zinc/82/74/60/371827460.db2.gz WLQTZKYFSUMDET-IHRRRGAJSA-N 1 3 294.439 3.259 20 0 CGADHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000036952716 541859972 /nfs/dbraw/zinc/85/99/72/541859972.db2.gz PSJRNZDUXIPNBV-VXGBXAGGSA-N 1 3 282.378 3.346 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000289937256 371857144 /nfs/dbraw/zinc/85/71/44/371857144.db2.gz VYKSMNHZOMRNPI-GJZGRUSLSA-N 1 3 283.419 3.227 20 0 CGADHO CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422895576 371858860 /nfs/dbraw/zinc/85/88/60/371858860.db2.gz GEQNCPFJZCJHTA-IRXDYDNUSA-N 1 3 276.424 3.225 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422928064 371876130 /nfs/dbraw/zinc/87/61/30/371876130.db2.gz IRAXBHVWTOYGDN-XPKDYRNWSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Oc1cccc(Cl)c1 ZINC000422928064 371876137 /nfs/dbraw/zinc/87/61/37/371876137.db2.gz IRAXBHVWTOYGDN-XPKDYRNWSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc(C(C)(C)C)cc1 ZINC000422931395 371878317 /nfs/dbraw/zinc/87/83/17/371878317.db2.gz XPMFKVAKKKXWQT-KGLIPLIRSA-N 1 3 278.440 3.078 20 0 CGADHO Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000422947884 371886970 /nfs/dbraw/zinc/88/69/70/371886970.db2.gz QQVQUTCVBUAHBF-RBUKOAKNSA-N 1 3 296.414 3.417 20 0 CGADHO COc1cccc(CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422944250 371883556 /nfs/dbraw/zinc/88/35/56/371883556.db2.gz LDSHURKWZVRDHJ-RBUKOAKNSA-N 1 3 296.414 3.362 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1nccc2ccccc21 ZINC000290033766 371884267 /nfs/dbraw/zinc/88/42/67/371884267.db2.gz BCJBZJPNTNIQLO-AWEZNQCLSA-N 1 3 281.403 3.147 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1nccc2ccccc21 ZINC000290033766 371884277 /nfs/dbraw/zinc/88/42/77/371884277.db2.gz BCJBZJPNTNIQLO-AWEZNQCLSA-N 1 3 281.403 3.147 20 0 CGADHO C[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)N(C)c1ccccc1 ZINC000422853787 371841334 /nfs/dbraw/zinc/84/13/34/371841334.db2.gz CHBHCHCAHIPLEV-CCKFTAQKSA-N 1 3 295.430 3.246 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@@H](C)C1C[NH2+]C1 ZINC000422860737 371842270 /nfs/dbraw/zinc/84/22/70/371842270.db2.gz MUFBRQOFQHDNQA-UWVGGRQHSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C1CNC1 ZINC000422860737 371842277 /nfs/dbraw/zinc/84/22/77/371842277.db2.gz MUFBRQOFQHDNQA-UWVGGRQHSA-N 1 3 287.234 3.122 20 0 CGADHO Fc1ccc(CCCC[NH2+][C@H]2CCCNCC2)cc1F ZINC000423052861 371935513 /nfs/dbraw/zinc/93/55/13/371935513.db2.gz QRGLFERRZYRWIL-AWEZNQCLSA-N 1 3 282.378 3.019 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCCc1ccc(F)cc1 ZINC000423060394 371939781 /nfs/dbraw/zinc/93/97/81/371939781.db2.gz IAXIOJVMLXRIQD-KGLIPLIRSA-N 1 3 266.404 3.254 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422975201 371896653 /nfs/dbraw/zinc/89/66/53/371896653.db2.gz BILJAKBIHHXTOX-PBHICJAKSA-N 1 3 290.451 3.080 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1coc2ccccc12 ZINC000422981564 371902137 /nfs/dbraw/zinc/90/21/37/371902137.db2.gz OUJBYJYFALKCCD-LBPRGKRZSA-N 1 3 295.386 3.446 20 0 CGADHO CC[C@H](CSc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422997738 371907460 /nfs/dbraw/zinc/90/74/60/371907460.db2.gz BSCMJFJPGRYOJT-JZWPEALZSA-N 1 3 290.476 3.430 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OC ZINC000423000297 371908590 /nfs/dbraw/zinc/90/85/90/371908590.db2.gz UYTKTYPRAHXBGW-MLHJIOFPSA-N 1 3 296.499 3.338 20 0 CGADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423002698 371909521 /nfs/dbraw/zinc/90/95/21/371909521.db2.gz ZHCKNAXJMHPYKE-MXSMSXNCSA-N 1 3 290.451 3.400 20 0 CGADHO CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423019308 371918081 /nfs/dbraw/zinc/91/80/81/371918081.db2.gz VBOJFIJDVLUXJM-GXTWGEPZSA-N 1 3 298.434 3.218 20 0 CGADHO Cc1cccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccccn2)c1 ZINC000423022953 371920239 /nfs/dbraw/zinc/92/02/39/371920239.db2.gz ISZGUBLXZDDSGF-MAUKXSAKSA-N 1 3 283.419 3.196 20 0 CGADHO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCCCN1 ZINC000423025983 371922356 /nfs/dbraw/zinc/92/23/56/371922356.db2.gz PPFGYTCRKRELOF-OCCSQVGLSA-N 1 3 295.496 3.103 20 0 CGADHO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@H]1CCCCN1 ZINC000423025984 371922804 /nfs/dbraw/zinc/92/28/04/371922804.db2.gz PPFGYTCRKRELOF-TZMCWYRMSA-N 1 3 295.496 3.103 20 0 CGADHO Cc1cc(CN[C@@H]2CC[NH2+]CC[C@H]2C)ccc1Cl ZINC000423033794 371926198 /nfs/dbraw/zinc/92/61/98/371926198.db2.gz GYELWFMQIMEBAI-IAQYHMDHSA-N 1 3 266.816 3.126 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093644 371958745 /nfs/dbraw/zinc/95/87/45/371958745.db2.gz IHPXUXYKHLUSPS-FSZRXZPDSA-N 1 3 290.426 3.440 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423096934 371959953 /nfs/dbraw/zinc/95/99/53/371959953.db2.gz QBAKUOPTEUXQNU-SIUPPRGNSA-N 1 3 290.426 3.440 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095825 371960123 /nfs/dbraw/zinc/96/01/23/371960123.db2.gz NDITUPHYXMMFPC-WGGXSYPISA-N 1 3 294.389 3.189 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095825 371960127 /nfs/dbraw/zinc/96/01/27/371960127.db2.gz NDITUPHYXMMFPC-WGGXSYPISA-N 1 3 294.389 3.189 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423101310 371966061 /nfs/dbraw/zinc/96/60/61/371966061.db2.gz VZTJTRZSTXGRJB-OEUWWYETSA-N 1 3 276.399 3.179 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423105281 371968168 /nfs/dbraw/zinc/96/81/68/371968168.db2.gz YWRUEDRXHGLPAO-NMFUWQPSSA-N 1 3 264.800 3.055 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423106924 371970715 /nfs/dbraw/zinc/97/07/15/371970715.db2.gz RSSBRDVLVMIVDF-DQUJLWGMSA-N 1 3 270.420 3.114 20 0 CGADHO CC[C@@H](NCC1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423116538 371975471 /nfs/dbraw/zinc/97/54/71/371975471.db2.gz QHCGELSVUPXSTC-SYNTWQANSA-N 1 3 272.436 3.300 20 0 CGADHO CC[C@@H]([NH2+]CC1CC(c2ccccc2)C1)[C@@H]1CCCN1 ZINC000423116538 371975474 /nfs/dbraw/zinc/97/54/74/371975474.db2.gz QHCGELSVUPXSTC-SYNTWQANSA-N 1 3 272.436 3.300 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000423125355 371978909 /nfs/dbraw/zinc/97/89/09/371978909.db2.gz HVPWVQQNHWIZRE-BPLDGKMQSA-N 1 3 275.440 3.468 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccc(C2CC2)cc1F ZINC000423128538 371980006 /nfs/dbraw/zinc/98/00/06/371980006.db2.gz KWBMSBDXYVUGED-GFCCVEGCSA-N 1 3 264.388 3.310 20 0 CGADHO C[C@H](NC[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423127596 371980059 /nfs/dbraw/zinc/98/00/59/371980059.db2.gz JSNXGUQYXRCQRI-MJBXVCDLSA-N 1 3 274.399 3.322 20 0 CGADHO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+][C@H](C)C1CNC1 ZINC000423134336 371984525 /nfs/dbraw/zinc/98/45/25/371984525.db2.gz LZDHRYPUQXXSLR-DYVFJYSZSA-N 1 3 294.870 3.495 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000423172649 372002549 /nfs/dbraw/zinc/00/25/49/372002549.db2.gz UOLYTHCVMRQVAN-QFWMXSHPSA-N 1 3 297.393 3.323 20 0 CGADHO C=Cc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000423142125 371988936 /nfs/dbraw/zinc/98/89/36/371988936.db2.gz UBLPHBSHFWNHIG-CQSZACIVSA-N 1 3 295.430 3.385 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423144385 371990726 /nfs/dbraw/zinc/99/07/26/371990726.db2.gz GUCNSLXJNTVUCZ-BRXULGCHSA-N 1 3 278.827 3.303 20 0 CGADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423147393 371993136 /nfs/dbraw/zinc/99/31/36/371993136.db2.gz CNUHGTNMEZMJNE-QUSNUVHPSA-N 1 3 264.457 3.179 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423157237 371996234 /nfs/dbraw/zinc/99/62/34/371996234.db2.gz VBCHMRDHMKOHPA-QCSYZSNVSA-N 1 3 288.435 3.172 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[NH2+]CC2)c2ccccc12 ZINC000423169280 371999703 /nfs/dbraw/zinc/99/97/03/371999703.db2.gz IVEVTCNEHBJQSO-MRXNPFEDSA-N 1 3 268.404 3.380 20 0 CGADHO COc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2ccco2)cc1 ZINC000423170082 372000166 /nfs/dbraw/zinc/00/01/66/372000166.db2.gz XJIHWRPGHJQQOT-CXAGYDPISA-N 1 3 288.391 3.095 20 0 CGADHO Cc1ccc([C@@H](N[C@H](C)CCC[NH3+])c2ccccn2)cc1 ZINC000423087336 371954075 /nfs/dbraw/zinc/95/40/75/371954075.db2.gz PFHNGCSSKXGYMQ-CRAIPNDOSA-N 1 3 283.419 3.196 20 0 CGADHO C[C@H](CCC[NH3+])NCc1ccc(-c2ccco2)cc1F ZINC000423087327 371954113 /nfs/dbraw/zinc/95/41/13/371954113.db2.gz PEJGBXSBEGTQJO-GFCCVEGCSA-N 1 3 276.355 3.303 20 0 CGADHO Fc1ccc([C@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423084232 371954611 /nfs/dbraw/zinc/95/46/11/371954611.db2.gz HCUCGHPQJSTGKH-IMLUKAASSA-N 1 3 288.410 3.334 20 0 CGADHO NC1(C[NH2+][C@H]2CCc3ccccc32)CCCCCC1 ZINC000423198147 372023366 /nfs/dbraw/zinc/02/33/66/372023366.db2.gz DJVIZJZEBKJPMB-INIZCTEOSA-N 1 3 258.409 3.315 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290588596 372025016 /nfs/dbraw/zinc/02/50/16/372025016.db2.gz VCFVYBUMCRMHMN-LBVFSOKKSA-N 1 3 272.436 3.362 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000290588596 372025019 /nfs/dbraw/zinc/02/50/19/372025019.db2.gz VCFVYBUMCRMHMN-LBVFSOKKSA-N 1 3 272.436 3.362 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290593872 372025311 /nfs/dbraw/zinc/02/53/11/372025311.db2.gz VNCOXCQQCLKPCK-MAUKXSAKSA-N 1 3 290.451 3.246 20 0 CGADHO CC(C)Oc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290593872 372025317 /nfs/dbraw/zinc/02/53/17/372025317.db2.gz VNCOXCQQCLKPCK-MAUKXSAKSA-N 1 3 290.451 3.246 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000157533846 372026065 /nfs/dbraw/zinc/02/60/65/372026065.db2.gz WOWUGHGCRGNACZ-QKPAOTATSA-N 1 3 250.430 3.172 20 0 CGADHO Fc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157588724 372028000 /nfs/dbraw/zinc/02/80/00/372028000.db2.gz QIVKZTRLOJDDSY-ZLGJRNTRSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157588724 372028007 /nfs/dbraw/zinc/02/80/07/372028007.db2.gz QIVKZTRLOJDDSY-ZLGJRNTRSA-N 1 3 288.410 3.288 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423214490 372034378 /nfs/dbraw/zinc/03/43/78/372034378.db2.gz OYOVQLBLNRLLQU-BBWFWOEESA-N 1 3 287.451 3.005 20 0 CGADHO CC1(C)CC[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423218120 372036648 /nfs/dbraw/zinc/03/66/48/372036648.db2.gz UZFGIKFOJTYDNI-RHSMWYFYSA-N 1 3 272.436 3.388 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000423285286 372048841 /nfs/dbraw/zinc/04/88/41/372048841.db2.gz ZHSFUGYKVQSNGP-YOEHRIQHSA-N 1 3 260.425 3.363 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000158106766 372051392 /nfs/dbraw/zinc/05/13/92/372051392.db2.gz VFASIYSHAFSELD-GLJUWKHASA-N 1 3 290.426 3.381 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158106766 372051396 /nfs/dbraw/zinc/05/13/96/372051396.db2.gz VFASIYSHAFSELD-GLJUWKHASA-N 1 3 290.426 3.381 20 0 CGADHO C[C@@H](CN)[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423374935 372056241 /nfs/dbraw/zinc/05/62/41/372056241.db2.gz UCUCFHYWNFEXKT-XHDPSFHLSA-N 1 3 260.381 3.457 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423388809 372057765 /nfs/dbraw/zinc/05/77/65/372057765.db2.gz IZEMCECCXSYEGZ-HEHGZKQESA-N 1 3 278.465 3.447 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CNC1 ZINC000423175185 372004538 /nfs/dbraw/zinc/00/45/38/372004538.db2.gz DIAVUHBEUZMUDN-DETPVDSQSA-N 1 3 278.827 3.174 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423176969 372006714 /nfs/dbraw/zinc/00/67/14/372006714.db2.gz GVJICRNHDYAIOW-YJNKXOJESA-N 1 3 252.446 3.308 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423521687 372070240 /nfs/dbraw/zinc/07/02/40/372070240.db2.gz GMDJQGCAIWGTDI-RLIYEPBISA-N 1 3 276.468 3.308 20 0 CGADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425930616 372145047 /nfs/dbraw/zinc/14/50/47/372145047.db2.gz ITXNLJKZNUPKDN-FUHWJXTLSA-N 1 3 292.467 3.015 20 0 CGADHO C[C@H]1CN(CCCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430939113 372408482 /nfs/dbraw/zinc/40/84/82/372408482.db2.gz FEJKRIODHGYDEK-MAUKXSAKSA-N 1 3 298.430 3.278 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163313030 372461841 /nfs/dbraw/zinc/46/18/41/372461841.db2.gz QNZDXYGMSZGIPD-ROUUACIJSA-N 1 3 287.451 3.047 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163313030 372461843 /nfs/dbraw/zinc/46/18/43/372461843.db2.gz QNZDXYGMSZGIPD-ROUUACIJSA-N 1 3 287.451 3.047 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccccc1Cl ZINC000166036689 372561276 /nfs/dbraw/zinc/56/12/76/372561276.db2.gz PDMHTBSWECKKIA-KGLIPLIRSA-N 1 3 298.858 3.347 20 0 CGADHO CN(Cc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435438637 372765478 /nfs/dbraw/zinc/76/54/78/372765478.db2.gz QWTLYKFPNAWWKD-IBGZPJMESA-N 1 3 295.430 3.323 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1nccc2ccccc21 ZINC000353423021 220076414 /nfs/dbraw/zinc/07/64/14/220076414.db2.gz CKXWNJCFKVJCCJ-HUUCEWRRSA-N 1 3 295.430 3.370 20 0 CGADHO C[NH2+]CCCN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000435881628 372824253 /nfs/dbraw/zinc/82/42/53/372824253.db2.gz VRRHSHLAWXQIGX-SJORKVTESA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000435881628 372824262 /nfs/dbraw/zinc/82/42/62/372824262.db2.gz VRRHSHLAWXQIGX-SJORKVTESA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000435881628 372824270 /nfs/dbraw/zinc/82/42/70/372824270.db2.gz VRRHSHLAWXQIGX-SJORKVTESA-N 1 3 260.425 3.172 20 0 CGADHO CC[C@@H]1CN(CCC[NH2+]C)CC[C@@H]1c1ccccc1 ZINC000435885864 372825948 /nfs/dbraw/zinc/82/59/48/372825948.db2.gz OXWIFBBFVZUOFG-WBVHZDCISA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H]1C[N@H+](CCCNC)CC[C@@H]1c1ccccc1 ZINC000435885864 372825958 /nfs/dbraw/zinc/82/59/58/372825958.db2.gz OXWIFBBFVZUOFG-WBVHZDCISA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H]1C[N@@H+](CCCNC)CC[C@@H]1c1ccccc1 ZINC000435885864 372825966 /nfs/dbraw/zinc/82/59/66/372825966.db2.gz OXWIFBBFVZUOFG-WBVHZDCISA-N 1 3 260.425 3.112 20 0 CGADHO Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1F ZINC000295734924 372894217 /nfs/dbraw/zinc/89/42/17/372894217.db2.gz OLEHUYBFYIJDBD-MQVJKMGUSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(SCCN2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000442787074 373082354 /nfs/dbraw/zinc/08/23/54/373082354.db2.gz HELNFLPQGRYPEN-HUUCEWRRSA-N 1 3 278.465 3.065 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431900 373130457 /nfs/dbraw/zinc/13/04/57/373130457.db2.gz NGFNTXUVHRRWBG-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431900 373130466 /nfs/dbraw/zinc/13/04/66/373130466.db2.gz NGFNTXUVHRRWBG-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431900 373130480 /nfs/dbraw/zinc/13/04/80/373130480.db2.gz NGFNTXUVHRRWBG-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000296441438 373135393 /nfs/dbraw/zinc/13/53/93/373135393.db2.gz NVGOYRKQNBRUMR-IIDMSEBBSA-N 1 3 290.451 3.184 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1=CCN(C)CC1 ZINC000442991898 373137384 /nfs/dbraw/zinc/13/73/84/373137384.db2.gz BGGGMHCUYJGOOF-UHFFFAOYSA-N 1 3 298.352 3.365 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000173923488 373215880 /nfs/dbraw/zinc/21/58/80/373215880.db2.gz DWVPNXLAINNPFB-HOTGVXAUSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000173923488 373215888 /nfs/dbraw/zinc/21/58/88/373215888.db2.gz DWVPNXLAINNPFB-HOTGVXAUSA-N 1 3 290.451 3.043 20 0 CGADHO CCCN(CCC[NH+]1CCCCC1)C[C@@H]1CCCCO1 ZINC000444569216 373204141 /nfs/dbraw/zinc/20/41/41/373204141.db2.gz LTQHYKWOHAHVFB-KRWDZBQOSA-N 1 3 282.472 3.144 20 0 CGADHO CCc1ccccc1CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000444695710 373240116 /nfs/dbraw/zinc/24/01/16/373240116.db2.gz SXERFKCWXHCLGF-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000444695710 373240123 /nfs/dbraw/zinc/24/01/23/373240123.db2.gz SXERFKCWXHCLGF-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccccc1CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000444695710 373240127 /nfs/dbraw/zinc/24/01/27/373240127.db2.gz SXERFKCWXHCLGF-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO COC[C@@H](NCCC[NH+](C(C)C)C(C)C)C1CCCC1 ZINC000446839477 373369173 /nfs/dbraw/zinc/36/91/73/373369173.db2.gz AKAXOLXGKZPZOT-QGZVFWFLSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000449444851 373721107 /nfs/dbraw/zinc/72/11/07/373721107.db2.gz DYDAXLFWEGVKJR-JKIFEVAISA-N 1 3 264.457 3.418 20 0 CGADHO CCc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000178631331 373800662 /nfs/dbraw/zinc/80/06/62/373800662.db2.gz LOQOMELBYPRJPX-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000178631331 373800667 /nfs/dbraw/zinc/80/06/67/373800667.db2.gz LOQOMELBYPRJPX-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000178631331 373800675 /nfs/dbraw/zinc/80/06/75/373800675.db2.gz LOQOMELBYPRJPX-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000178631331 373800680 /nfs/dbraw/zinc/80/06/80/373800680.db2.gz LOQOMELBYPRJPX-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO Cc1cc(N(C)CC2([NH+](C)C)CCC2)c2ccccc2n1 ZINC000302508391 373883366 /nfs/dbraw/zinc/88/33/66/373883366.db2.gz RQSGHDNEMVZQSI-UHFFFAOYSA-N 1 3 283.419 3.464 20 0 CGADHO CCC[NH+]1CCC(N(C)CC2=CCCCC2)CC1 ZINC000450466474 374147982 /nfs/dbraw/zinc/14/79/82/374147982.db2.gz IPZBGYZYQAALGC-UHFFFAOYSA-N 1 3 250.430 3.293 20 0 CGADHO COc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc12 ZINC000317465417 374340564 /nfs/dbraw/zinc/34/05/64/374340564.db2.gz WJUFNXPLCZYGTB-ZBFHGGJFSA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc12 ZINC000317465417 374340568 /nfs/dbraw/zinc/34/05/68/374340568.db2.gz WJUFNXPLCZYGTB-ZBFHGGJFSA-N 1 3 298.430 3.421 20 0 CGADHO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192453 374384650 /nfs/dbraw/zinc/38/46/50/374384650.db2.gz CPORKUXKBBVSLK-RRFJBIMHSA-N 1 3 252.446 3.274 20 0 CGADHO FC(F)(F)C1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000088432797 541948492 /nfs/dbraw/zinc/94/84/92/541948492.db2.gz IAORUGCBWLHOBP-UHFFFAOYSA-N 1 3 278.362 3.041 20 0 CGADHO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185687166 374715470 /nfs/dbraw/zinc/71/54/70/374715470.db2.gz XTYRGLQPXJELKS-SJLPKXTDSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185706274 374719187 /nfs/dbraw/zinc/71/91/87/374719187.db2.gz PREFDRQUSZLXGY-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[N@@H+]1CC[C@H](CNc2ccnc3ccccc32)C1 ZINC000465050743 374929654 /nfs/dbraw/zinc/92/96/54/374929654.db2.gz MPWAQUHWKYVFNG-OAHLLOKOSA-N 1 3 283.419 3.047 20 0 CGADHO CC(C)C[N@H+]1CC[C@H](CNc2ccnc3ccccc32)C1 ZINC000465050743 374929660 /nfs/dbraw/zinc/92/96/60/374929660.db2.gz MPWAQUHWKYVFNG-OAHLLOKOSA-N 1 3 283.419 3.047 20 0 CGADHO C(=C/C[N@@H+]1CCCC2(CC2)C1)\CN1CCCC2(CC2)C1 ZINC000186986435 374952067 /nfs/dbraw/zinc/95/20/67/374952067.db2.gz LLHOQNDDLPBNKN-OWOJBTEDSA-N 1 3 274.452 3.295 20 0 CGADHO C(=C/C[N@H+]1CCCC2(CC2)C1)\CN1CCCC2(CC2)C1 ZINC000186986435 374952071 /nfs/dbraw/zinc/95/20/71/374952071.db2.gz LLHOQNDDLPBNKN-OWOJBTEDSA-N 1 3 274.452 3.295 20 0 CGADHO Cc1ccc(C(C)(C)CN(C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000469987018 374993972 /nfs/dbraw/zinc/99/39/72/374993972.db2.gz JBGNGJGQBVDEPI-INIZCTEOSA-N 1 3 274.452 3.204 20 0 CGADHO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H]2CCCNC2)cc1 ZINC000469987018 374993978 /nfs/dbraw/zinc/99/39/78/374993978.db2.gz JBGNGJGQBVDEPI-INIZCTEOSA-N 1 3 274.452 3.204 20 0 CGADHO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H]2CCCNC2)cc1 ZINC000469987018 374993981 /nfs/dbraw/zinc/99/39/81/374993981.db2.gz JBGNGJGQBVDEPI-INIZCTEOSA-N 1 3 274.452 3.204 20 0 CGADHO CCN(CC)CCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000472593156 375026762 /nfs/dbraw/zinc/02/67/62/375026762.db2.gz ZULQWWQYWAZTOG-OWCLPIDISA-N 1 3 252.446 3.371 20 0 CGADHO CCN(CC)CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000472593156 375026766 /nfs/dbraw/zinc/02/67/66/375026766.db2.gz ZULQWWQYWAZTOG-OWCLPIDISA-N 1 3 252.446 3.371 20 0 CGADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000474477354 375114336 /nfs/dbraw/zinc/11/43/36/375114336.db2.gz MJJRUXNSCFSYTF-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC23CCCC3)C[C@@H](C)O1 ZINC000189094857 375324472 /nfs/dbraw/zinc/32/44/72/375324472.db2.gz JKIFDTIKWMFLKF-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CCCc1csc(CNCCC2CC[NH+](CC)CC2)n1 ZINC000494109109 535449479 /nfs/dbraw/zinc/44/94/79/535449479.db2.gz QJLSDRUOQURHKI-UHFFFAOYSA-N 1 3 295.496 3.307 20 0 CGADHO Cc1cc2[nH]c(C[NH2+]C[C@H](C)CN(C)C)cc2c(C)c1 ZINC000491597102 375336276 /nfs/dbraw/zinc/33/62/76/375336276.db2.gz RDXMSKYKURTAAA-ZDUSSCGKSA-N 1 3 273.424 3.072 20 0 CGADHO CCC[NH+]1CCC(NC[C@H](C)c2ncc(C)s2)CC1 ZINC000120617043 542012952 /nfs/dbraw/zinc/01/29/52/542012952.db2.gz CBFRBJXGZXVSSA-LBPRGKRZSA-N 1 3 281.469 3.019 20 0 CGADHO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000507367277 375698270 /nfs/dbraw/zinc/69/82/70/375698270.db2.gz KQNSRSYBGWCMBI-CQSZACIVSA-N 1 3 280.843 3.422 20 0 CGADHO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000507367277 375698277 /nfs/dbraw/zinc/69/82/77/375698277.db2.gz KQNSRSYBGWCMBI-CQSZACIVSA-N 1 3 280.843 3.422 20 0 CGADHO Clc1csc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000193013064 375814982 /nfs/dbraw/zinc/81/49/82/375814982.db2.gz RINBJBZJEQKRLU-UHFFFAOYSA-N 1 3 284.856 3.366 20 0 CGADHO COc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)c(C)c1 ZINC000519604788 375849724 /nfs/dbraw/zinc/84/97/24/375849724.db2.gz GUXOFAVMCBGPJH-AWEZNQCLSA-N 1 3 284.403 3.313 20 0 CGADHO CC(C)CSCCC[N@H+](C)CCCN1CCCC1 ZINC000337229370 376152361 /nfs/dbraw/zinc/15/23/61/376152361.db2.gz RTZLNPMCLGDYBU-UHFFFAOYSA-N 1 3 272.502 3.183 20 0 CGADHO CC(C)CSCCC[N@@H+](C)CCCN1CCCC1 ZINC000337229370 376152368 /nfs/dbraw/zinc/15/23/68/376152368.db2.gz RTZLNPMCLGDYBU-UHFFFAOYSA-N 1 3 272.502 3.183 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000536696063 376123077 /nfs/dbraw/zinc/12/30/77/376123077.db2.gz QKUYCLSWGIVDRR-SXLOBPIMSA-N 1 3 298.474 3.454 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000536696063 376123081 /nfs/dbraw/zinc/12/30/81/376123081.db2.gz QKUYCLSWGIVDRR-SXLOBPIMSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000536696063 376123086 /nfs/dbraw/zinc/12/30/86/376123086.db2.gz QKUYCLSWGIVDRR-SXLOBPIMSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000536696063 376123091 /nfs/dbraw/zinc/12/30/91/376123091.db2.gz QKUYCLSWGIVDRR-SXLOBPIMSA-N 1 3 298.474 3.454 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000538304403 376232247 /nfs/dbraw/zinc/23/22/47/376232247.db2.gz HSKTUQVKQCPMHN-HOTGVXAUSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[C@H](C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000538304403 376232249 /nfs/dbraw/zinc/23/22/49/376232249.db2.gz HSKTUQVKQCPMHN-HOTGVXAUSA-N 1 3 252.446 3.230 20 0 CGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)C1CCCCC1 ZINC000538408904 376239896 /nfs/dbraw/zinc/23/98/96/376239896.db2.gz XHQVZJHOUKEVLE-INIZCTEOSA-N 1 3 250.430 3.197 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000337998526 376252365 /nfs/dbraw/zinc/25/23/65/376252365.db2.gz NVAPBMKLCFLBLG-VGWMRTNUSA-N 1 3 268.420 3.121 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226330989 376353370 /nfs/dbraw/zinc/35/33/70/376353370.db2.gz HUYFFULLRLBEAO-OBJOEFQTSA-N 1 3 298.377 3.408 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000226313328 376349831 /nfs/dbraw/zinc/34/98/31/376349831.db2.gz LOBAZJBQWUIUSK-HNNXBMFYSA-N 1 3 290.451 3.466 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000224995825 376291332 /nfs/dbraw/zinc/29/13/32/376291332.db2.gz MZSKRTNPBCLFFI-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO CCCC[C@H](CC)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000539073693 376291326 /nfs/dbraw/zinc/29/13/26/376291326.db2.gz WYRIRVBWOWVFCW-ULQDDVLXSA-N 1 3 284.488 3.434 20 0 CGADHO C[NH+]1CCC(C)(CNCc2ccc(F)cc2Cl)CC1 ZINC000227328612 376390241 /nfs/dbraw/zinc/39/02/41/376390241.db2.gz DIGKAVHATDMFAK-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000540752810 376394449 /nfs/dbraw/zinc/39/44/49/376394449.db2.gz IELDDHWIXCYYII-CQSZACIVSA-N 1 3 288.435 3.220 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]21 ZINC000228535362 376440883 /nfs/dbraw/zinc/44/08/83/376440883.db2.gz AKRZLXYDSFENEK-RRFJBIMHSA-N 1 3 280.362 3.183 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCCCCC1 ZINC000541564438 376459569 /nfs/dbraw/zinc/45/95/69/376459569.db2.gz PRTDFFKITYJOTB-CQSZACIVSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338689133 376481996 /nfs/dbraw/zinc/48/19/96/376481996.db2.gz RILJVDPSHXOIFG-DZRGKWQISA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338689133 376481998 /nfs/dbraw/zinc/48/19/98/376481998.db2.gz RILJVDPSHXOIFG-DZRGKWQISA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338689133 376482000 /nfs/dbraw/zinc/48/20/00/376482000.db2.gz RILJVDPSHXOIFG-DZRGKWQISA-N 1 3 284.447 3.395 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670828 376568166 /nfs/dbraw/zinc/56/81/66/376568166.db2.gz NTDCAIDNNCQKSZ-WMLDXEAASA-N 1 3 276.424 3.361 20 0 CGADHO Cc1ccc(OCCCN(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000234290800 376614863 /nfs/dbraw/zinc/61/48/63/376614863.db2.gz GSKXIHUPXSIDEX-QGZVFWFLSA-N 1 3 290.451 3.146 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)c1nccs1 ZINC000235468172 376641248 /nfs/dbraw/zinc/64/12/48/376641248.db2.gz YWFYMCJBLNWPKN-MCIONIFRSA-N 1 3 281.469 3.147 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000339071127 376660306 /nfs/dbraw/zinc/66/03/06/376660306.db2.gz QRZDNOQANOXBHI-NUEKZKHPSA-N 1 3 276.424 3.126 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000339071127 376660310 /nfs/dbraw/zinc/66/03/10/376660310.db2.gz QRZDNOQANOXBHI-NUEKZKHPSA-N 1 3 276.424 3.126 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(OCC)c(F)c2)CC1 ZINC000152743597 542108995 /nfs/dbraw/zinc/10/89/95/542108995.db2.gz DZFQWYDUSQDLRS-UHFFFAOYSA-N 1 3 294.414 3.188 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000245471737 376826767 /nfs/dbraw/zinc/82/67/67/376826767.db2.gz YBTCOUPMYHLYDJ-BRWVUGGUSA-N 1 3 290.451 3.227 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CC)C1 ZINC000245779646 376904929 /nfs/dbraw/zinc/90/49/29/376904929.db2.gz YPVCMIRXCBYSEX-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H]2CCC[C@H]21 ZINC000556887600 376900036 /nfs/dbraw/zinc/90/00/36/376900036.db2.gz ZMDHSPUWNFTAHO-OKZBNKHCSA-N 1 3 298.430 3.438 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H]2CCC[C@H]21 ZINC000556887600 376900043 /nfs/dbraw/zinc/90/00/43/376900043.db2.gz ZMDHSPUWNFTAHO-OKZBNKHCSA-N 1 3 298.430 3.438 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124832 376971231 /nfs/dbraw/zinc/97/12/31/376971231.db2.gz WFMDPNHQWRLGKT-ZBFHGGJFSA-N 1 3 289.448 3.249 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124832 376971240 /nfs/dbraw/zinc/97/12/40/376971240.db2.gz WFMDPNHQWRLGKT-ZBFHGGJFSA-N 1 3 289.448 3.249 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2csc(C(C)C)n2)[C@@H](C)C1 ZINC000246901790 377114682 /nfs/dbraw/zinc/11/46/82/377114682.db2.gz FJTZCECENPLZLH-DZGCQCFKSA-N 1 3 295.496 3.129 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2csc(C(C)C)n2)[C@@H](C)C1 ZINC000246901790 377114690 /nfs/dbraw/zinc/11/46/90/377114690.db2.gz FJTZCECENPLZLH-DZGCQCFKSA-N 1 3 295.496 3.129 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246928333 377120823 /nfs/dbraw/zinc/12/08/23/377120823.db2.gz GKOULCFFAWKDSW-IPMKNSEASA-N 1 3 286.463 3.470 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246820500 377096480 /nfs/dbraw/zinc/09/64/80/377096480.db2.gz AOMKSEAUDMVMCK-QBPKDAKJSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246820500 377096488 /nfs/dbraw/zinc/09/64/88/377096488.db2.gz AOMKSEAUDMVMCK-QBPKDAKJSA-N 1 3 290.451 3.081 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246870318 377107560 /nfs/dbraw/zinc/10/75/60/377107560.db2.gz COGSYQCGEFQBHU-OFQRWUPVSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246870318 377107568 /nfs/dbraw/zinc/10/75/68/377107568.db2.gz COGSYQCGEFQBHU-OFQRWUPVSA-N 1 3 276.424 3.219 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000247375612 377198869 /nfs/dbraw/zinc/19/88/69/377198869.db2.gz DWVPNXLAINNPFB-HZPDHXFCSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000247375612 377198875 /nfs/dbraw/zinc/19/88/75/377198875.db2.gz DWVPNXLAINNPFB-HZPDHXFCSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1nn(C)cc1[C@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000246984928 377131200 /nfs/dbraw/zinc/13/12/00/377131200.db2.gz JXUFPWPCDYNUOD-CABCVRRESA-N 1 3 292.471 3.034 20 0 CGADHO Cc1nn(C)cc1[C@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000246984928 377131203 /nfs/dbraw/zinc/13/12/03/377131203.db2.gz JXUFPWPCDYNUOD-CABCVRRESA-N 1 3 292.471 3.034 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC(C(C)C)C(C)C)C1 ZINC000560260324 377135081 /nfs/dbraw/zinc/13/50/81/377135081.db2.gz RBHYBDPUQDTASJ-HNNXBMFYSA-N 1 3 254.462 3.188 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC(C(C)C)C(C)C)C1 ZINC000560260324 377135088 /nfs/dbraw/zinc/13/50/88/377135088.db2.gz RBHYBDPUQDTASJ-HNNXBMFYSA-N 1 3 254.462 3.188 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000560525554 377164486 /nfs/dbraw/zinc/16/44/86/377164486.db2.gz QGYMTZBUKXGZIB-KSZLIROESA-N 1 3 272.436 3.211 20 0 CGADHO CCc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000560525554 377164491 /nfs/dbraw/zinc/16/44/91/377164491.db2.gz QGYMTZBUKXGZIB-KSZLIROESA-N 1 3 272.436 3.211 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2ccccc2)C1 ZINC000247247379 377182805 /nfs/dbraw/zinc/18/28/05/377182805.db2.gz ZHTYDJLQDHECCX-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2ccccc2)C1 ZINC000247247379 377182817 /nfs/dbraw/zinc/18/28/17/377182817.db2.gz ZHTYDJLQDHECCX-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC000247247379 377182824 /nfs/dbraw/zinc/18/28/24/377182824.db2.gz ZHTYDJLQDHECCX-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1cccc(C)c1 ZINC000340669711 377203175 /nfs/dbraw/zinc/20/31/75/377203175.db2.gz OETAWWKZWKWUKY-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1cccc(C)c1 ZINC000340669711 377203182 /nfs/dbraw/zinc/20/31/82/377203182.db2.gz OETAWWKZWKWUKY-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO CC(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248391968 377303355 /nfs/dbraw/zinc/30/33/55/377303355.db2.gz CPORKUXKBBVSLK-KKUMJFAQSA-N 1 3 252.446 3.274 20 0 CGADHO CCCC[C@H](COC)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248402113 377308644 /nfs/dbraw/zinc/30/86/44/377308644.db2.gz MSMDXHSXOVDRHZ-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402113 377308650 /nfs/dbraw/zinc/30/86/50/377308650.db2.gz MSMDXHSXOVDRHZ-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402113 377308652 /nfs/dbraw/zinc/30/86/52/377308652.db2.gz MSMDXHSXOVDRHZ-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)Oc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000341169968 377430499 /nfs/dbraw/zinc/43/04/99/377430499.db2.gz JIIHGOHFQHABHY-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000563136152 377408521 /nfs/dbraw/zinc/40/85/21/377408521.db2.gz BMCHLLJPYUGOSV-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000563136152 377408527 /nfs/dbraw/zinc/40/85/27/377408527.db2.gz BMCHLLJPYUGOSV-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000089146282 249028486 /nfs/dbraw/zinc/02/84/86/249028486.db2.gz SDWUTBCSZBTIPL-OIISXLGYSA-N 1 3 260.425 3.287 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000166846892 542174754 /nfs/dbraw/zinc/17/47/54/542174754.db2.gz XWNTXYBIFSTMOD-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2ccsc2Cl)C1 ZINC000312750714 249083022 /nfs/dbraw/zinc/08/30/22/249083022.db2.gz VXVSIFXOMGSUBY-MWLCHTKSSA-N 1 3 258.818 3.009 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(CC)CC ZINC000166785957 542175118 /nfs/dbraw/zinc/17/51/18/542175118.db2.gz LXOBKOKATWNBSU-WCXIOVBPSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(CC)CC ZINC000166785957 542175121 /nfs/dbraw/zinc/17/51/21/542175121.db2.gz LXOBKOKATWNBSU-WCXIOVBPSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H](C)CCC[NH3+])cs1 ZINC000422908945 249127564 /nfs/dbraw/zinc/12/75/64/249127564.db2.gz DYAIQEDLHQBNJJ-QWRGUYRKSA-N 1 3 255.431 3.045 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422906816 249127717 /nfs/dbraw/zinc/12/77/17/249127717.db2.gz VUMSSLTZHJXJCY-DOTOQJQBSA-N 1 3 272.436 3.134 20 0 CGADHO C[NH2+]C1CCN(C[C@@H](C)CC2CCCCC2)CC1 ZINC000470013570 249166445 /nfs/dbraw/zinc/16/64/45/249166445.db2.gz YIZDHGHLEPHGPO-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CNC1CC[NH+](C[C@@H](C)CC2CCCCC2)CC1 ZINC000470013570 249166446 /nfs/dbraw/zinc/16/64/46/249166446.db2.gz YIZDHGHLEPHGPO-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO c1cc2cc(CCNC3CC[NH+](CC4CC4)CC3)ccc2[nH]1 ZINC000573766082 377573890 /nfs/dbraw/zinc/57/38/90/377573890.db2.gz QDJCBAUDLNFZKB-UHFFFAOYSA-N 1 3 297.446 3.174 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250870719 377567345 /nfs/dbraw/zinc/56/73/45/377567345.db2.gz YVMWLOWSJUGABT-KKUMJFAQSA-N 1 3 288.460 3.092 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250870719 377567350 /nfs/dbraw/zinc/56/73/50/377567350.db2.gz YVMWLOWSJUGABT-KKUMJFAQSA-N 1 3 288.460 3.092 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccs1 ZINC000251315096 377580473 /nfs/dbraw/zinc/58/04/73/377580473.db2.gz VWJSVDSLWQVDGL-AVGNSLFASA-N 1 3 252.427 3.306 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1cccs1 ZINC000251315096 377580479 /nfs/dbraw/zinc/58/04/79/377580479.db2.gz VWJSVDSLWQVDGL-AVGNSLFASA-N 1 3 252.427 3.306 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@H](C)[C@@H]2CCCNC2)c(C)c1 ZINC000515413118 249210886 /nfs/dbraw/zinc/21/08/86/249210886.db2.gz IIYDFYXEINVQRD-IAGOWNOFSA-N 1 3 274.452 3.132 20 0 CGADHO Cc1cc(C)c(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000515413118 249210888 /nfs/dbraw/zinc/21/08/88/249210888.db2.gz IIYDFYXEINVQRD-IAGOWNOFSA-N 1 3 274.452 3.132 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251422869 377582863 /nfs/dbraw/zinc/58/28/63/377582863.db2.gz QFEOKHVJPQNRCM-JYJNAYRXSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251210596 377575879 /nfs/dbraw/zinc/57/58/79/377575879.db2.gz ZYEAHIGZMWSMPU-BRWVUGGUSA-N 1 3 258.409 3.005 20 0 CGADHO CC[C@@H](c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516291259 249230390 /nfs/dbraw/zinc/23/03/90/249230390.db2.gz NUBZUQPQDWNBHW-IRXDYDNUSA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000516291259 249230393 /nfs/dbraw/zinc/23/03/93/249230393.db2.gz NUBZUQPQDWNBHW-IRXDYDNUSA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000516291259 249230395 /nfs/dbraw/zinc/23/03/95/249230395.db2.gz NUBZUQPQDWNBHW-IRXDYDNUSA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000251770975 377597915 /nfs/dbraw/zinc/59/79/15/377597915.db2.gz MLMRVICGAOKUKF-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000564252113 322024408 /nfs/dbraw/zinc/02/44/08/322024408.db2.gz NSXJKSHDWVPMGW-IUODEOHRSA-N 1 3 266.454 3.083 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000564252113 322024406 /nfs/dbraw/zinc/02/44/06/322024406.db2.gz NSXJKSHDWVPMGW-IUODEOHRSA-N 1 3 266.454 3.083 20 0 CGADHO [NH3+]CCCN[C@@H]1CCCc2c3ccccc3sc21 ZINC000423178623 295231140 /nfs/dbraw/zinc/23/11/40/295231140.db2.gz CFCJTDJJGIXIBV-CYBMUJFWSA-N 1 3 260.406 3.217 20 0 CGADHO NCCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423178623 295231144 /nfs/dbraw/zinc/23/11/44/295231144.db2.gz CFCJTDJJGIXIBV-CYBMUJFWSA-N 1 3 260.406 3.217 20 0 CGADHO FC1(F)CCCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000574364635 377653981 /nfs/dbraw/zinc/65/39/81/377653981.db2.gz XYHFAYDWCGCGHR-AWEZNQCLSA-N 1 3 286.410 3.276 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252713289 377655061 /nfs/dbraw/zinc/65/50/61/377655061.db2.gz OTKYAYZAHSSALJ-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CCc1cc(OC)ccc1CNCc1ccc(C[NH3+])cc1 ZINC000574400241 377658297 /nfs/dbraw/zinc/65/82/97/377658297.db2.gz MUPZCGXSCZFPJG-UHFFFAOYSA-N 1 3 284.403 3.006 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000252776659 377662122 /nfs/dbraw/zinc/66/21/22/377662122.db2.gz KMUKXEQTEBDDOE-QXSJWSMHSA-N 1 3 252.446 3.179 20 0 CGADHO CCSCC[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253068696 377672009 /nfs/dbraw/zinc/67/20/09/377672009.db2.gz KZNVHOYZZAURAJ-SOUVJXGZSA-N 1 3 272.502 3.419 20 0 CGADHO Cc1ncncc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000574822565 377715021 /nfs/dbraw/zinc/71/50/21/377715021.db2.gz KTLCNBQRGIXOOO-LSDHHAIUSA-N 1 3 290.455 3.090 20 0 CGADHO Cc1ncncc1[C@@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000574822565 377715025 /nfs/dbraw/zinc/71/50/25/377715025.db2.gz KTLCNBQRGIXOOO-LSDHHAIUSA-N 1 3 290.455 3.090 20 0 CGADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261641226 377832374 /nfs/dbraw/zinc/83/23/74/377832374.db2.gz ABAZTNVOHRYMGR-QRQLOZEOSA-N 1 3 297.446 3.221 20 0 CGADHO CCC[N@H+](CCSCc1ccccc1)C1CCNCC1 ZINC000261927555 377869407 /nfs/dbraw/zinc/86/94/07/377869407.db2.gz LCOSYXPPWKAXMQ-UHFFFAOYSA-N 1 3 292.492 3.384 20 0 CGADHO CCC[N@@H+](CCSCc1ccccc1)C1CCNCC1 ZINC000261927555 377869412 /nfs/dbraw/zinc/86/94/12/377869412.db2.gz LCOSYXPPWKAXMQ-UHFFFAOYSA-N 1 3 292.492 3.384 20 0 CGADHO CCCN(CCSCc1ccccc1)C1CC[NH2+]CC1 ZINC000261927555 377869417 /nfs/dbraw/zinc/86/94/17/377869417.db2.gz LCOSYXPPWKAXMQ-UHFFFAOYSA-N 1 3 292.492 3.384 20 0 CGADHO CCCN(CCc1cccc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261982858 377876423 /nfs/dbraw/zinc/87/64/23/377876423.db2.gz JJAGMEHWKCEIQG-QGZVFWFLSA-N 1 3 278.415 3.080 20 0 CGADHO C[C@@]1(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC[NH2+]C1 ZINC000262023669 377879703 /nfs/dbraw/zinc/87/97/03/377879703.db2.gz NJGVWADLOIIOQP-FCGDIQPGSA-N 1 3 284.447 3.397 20 0 CGADHO COc1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000262324963 377893696 /nfs/dbraw/zinc/89/36/96/377893696.db2.gz RNRYCAIXAKKRFO-GJZGRUSLSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@@]1(C[NH3+])CCN(Cc2cc3ccccc3s2)C1 ZINC000261822600 377856679 /nfs/dbraw/zinc/85/66/79/377856679.db2.gz PLAGGRPXWIOBNQ-HNNXBMFYSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@@]1(CN)CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000261822600 377856686 /nfs/dbraw/zinc/85/66/86/377856686.db2.gz PLAGGRPXWIOBNQ-HNNXBMFYSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000261822600 377856691 /nfs/dbraw/zinc/85/66/91/377856691.db2.gz PLAGGRPXWIOBNQ-HNNXBMFYSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@@H](O)[C@H](C)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000578232065 378049031 /nfs/dbraw/zinc/04/90/31/378049031.db2.gz GWBWTSPIXNMRTM-HRCADAONSA-N 1 3 290.451 3.009 20 0 CGADHO [NH3+]CCC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000578240990 378050785 /nfs/dbraw/zinc/05/07/85/378050785.db2.gz OWCSSGCERLPLHO-UHFFFAOYSA-N 1 3 276.355 3.133 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000578939644 378115739 /nfs/dbraw/zinc/11/57/39/378115739.db2.gz JCDIMJTVARTQFB-JKSUJKDBSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@H](C[N@H+](C)CCCN)c1ccc(C(F)(F)F)cc1 ZINC000579354349 378152567 /nfs/dbraw/zinc/15/25/67/378152567.db2.gz ZLWJQSODNYANGC-LLVKDONJSA-N 1 3 274.330 3.090 20 0 CGADHO C[C@H](C[N@@H+](C)CCCN)c1ccc(C(F)(F)F)cc1 ZINC000579354349 378152574 /nfs/dbraw/zinc/15/25/74/378152574.db2.gz ZLWJQSODNYANGC-LLVKDONJSA-N 1 3 274.330 3.090 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000578878294 378108543 /nfs/dbraw/zinc/10/85/43/378108543.db2.gz LDBBAILFWMNUSX-STQMWFEESA-N 1 3 291.464 3.378 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC12CC2)CN1CCCCC1 ZINC000579735162 378189425 /nfs/dbraw/zinc/18/94/25/378189425.db2.gz VGZLADVHWZXYGD-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO C[NH2+]C[C@H]1CCN(C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837623 378200711 /nfs/dbraw/zinc/20/07/11/378200711.db2.gz KGXXSGKBXNINCN-AEFFLSMTSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@H]1CC[N@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837623 378200712 /nfs/dbraw/zinc/20/07/12/378200712.db2.gz KGXXSGKBXNINCN-AEFFLSMTSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@H]1CC[N@@H+](C[C@H](CC(C)C)c2ccccc2)C1 ZINC000579837623 378200716 /nfs/dbraw/zinc/20/07/16/378200716.db2.gz KGXXSGKBXNINCN-AEFFLSMTSA-N 1 3 274.452 3.358 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](N)C[C@H]1C ZINC000579488879 378165673 /nfs/dbraw/zinc/16/56/73/378165673.db2.gz YVUWTNAQDCVSFG-INMHGKMJSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](N)C[C@H]1C ZINC000579488879 378165675 /nfs/dbraw/zinc/16/56/75/378165675.db2.gz YVUWTNAQDCVSFG-INMHGKMJSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000579488879 378165677 /nfs/dbraw/zinc/16/56/77/378165677.db2.gz YVUWTNAQDCVSFG-INMHGKMJSA-N 1 3 260.425 3.067 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000565512819 322080477 /nfs/dbraw/zinc/08/04/77/322080477.db2.gz OYUBRJDBLSRIIZ-XIRDDKMYSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000565512819 322080479 /nfs/dbraw/zinc/08/04/79/322080479.db2.gz OYUBRJDBLSRIIZ-XIRDDKMYSA-N 1 3 264.457 3.395 20 0 CGADHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000583779809 378346024 /nfs/dbraw/zinc/34/60/24/378346024.db2.gz KWLDAKWHNSDSIG-KRWDZBQOSA-N 1 3 290.426 3.298 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000583779809 378346029 /nfs/dbraw/zinc/34/60/29/378346029.db2.gz KWLDAKWHNSDSIG-KRWDZBQOSA-N 1 3 290.426 3.298 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271904010 378512295 /nfs/dbraw/zinc/51/22/95/378512295.db2.gz WCOCRAHNXACUOF-HUUCEWRRSA-N 1 3 288.435 3.039 20 0 CGADHO COC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000346530045 378606003 /nfs/dbraw/zinc/60/60/03/378606003.db2.gz QMWUBDIWTWVQDN-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC3(C)C)CC2)C1 ZINC000346564005 378623410 /nfs/dbraw/zinc/62/34/10/378623410.db2.gz LOMCTVXDGTXUNI-FVQBIDKESA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CC3(C)C)CC2)C1 ZINC000346564005 378623413 /nfs/dbraw/zinc/62/34/13/378623413.db2.gz LOMCTVXDGTXUNI-FVQBIDKESA-N 1 3 264.457 3.418 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000346663766 378666791 /nfs/dbraw/zinc/66/67/91/378666791.db2.gz XBKLXONUBSZNQX-UHFFFAOYSA-N 1 3 290.382 3.393 20 0 CGADHO [NH3+]CC1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000346683112 378674080 /nfs/dbraw/zinc/67/40/80/378674080.db2.gz FSIBMSVFDMVEGN-UHFFFAOYSA-N 1 3 293.461 3.042 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC(C)(C)C1)N1CCCCC1 ZINC000346884368 378696560 /nfs/dbraw/zinc/69/65/60/378696560.db2.gz ZYCMFWWPYINQLN-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO Fc1cccc(CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346843112 218032004 /nfs/dbraw/zinc/03/20/04/218032004.db2.gz WYWLTNXNKUYGPE-QGZVFWFLSA-N 1 3 290.426 3.080 20 0 CGADHO Fc1cccc(CC2CC[NH+](C[C@@H]3CCCNC3)CC2)c1 ZINC000346843112 218032006 /nfs/dbraw/zinc/03/20/06/218032006.db2.gz WYWLTNXNKUYGPE-QGZVFWFLSA-N 1 3 290.426 3.080 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000566614341 322131481 /nfs/dbraw/zinc/13/14/81/322131481.db2.gz KTRAKKLWVWEYOH-STQMWFEESA-N 1 3 268.832 3.421 20 0 CGADHO CCNCCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000566614341 322131483 /nfs/dbraw/zinc/13/14/83/322131483.db2.gz KTRAKKLWVWEYOH-STQMWFEESA-N 1 3 268.832 3.421 20 0 CGADHO CCc1oc2ccccc2c1CN1CCC[C@H](C[NH3+])C1 ZINC000347113860 218126605 /nfs/dbraw/zinc/12/66/05/218126605.db2.gz SDYMPDMCYZIYAY-CYBMUJFWSA-N 1 3 272.392 3.166 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152886 218139648 /nfs/dbraw/zinc/13/96/48/218139648.db2.gz BMXGKZFUNPDFON-BEFAXECRSA-N 1 3 295.430 3.450 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152886 218139649 /nfs/dbraw/zinc/13/96/49/218139649.db2.gz BMXGKZFUNPDFON-BEFAXECRSA-N 1 3 295.430 3.450 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000347334681 218194203 /nfs/dbraw/zinc/19/42/03/218194203.db2.gz RYJMOHBPFHIGBD-INIZCTEOSA-N 1 3 262.441 3.185 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCCOCc2ccccc2)CC1 ZINC000277229055 379103513 /nfs/dbraw/zinc/10/35/13/379103513.db2.gz ONXUDKNKMRCBOY-SFHVURJKSA-N 1 3 290.451 3.009 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCOCc2ccccc2)CC1 ZINC000277229055 379103523 /nfs/dbraw/zinc/10/35/23/379103523.db2.gz ONXUDKNKMRCBOY-SFHVURJKSA-N 1 3 290.451 3.009 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000277229055 379103529 /nfs/dbraw/zinc/10/35/29/379103529.db2.gz ONXUDKNKMRCBOY-SFHVURJKSA-N 1 3 290.451 3.009 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc3cccnc32)CC1 ZINC000277262243 379113938 /nfs/dbraw/zinc/11/39/38/379113938.db2.gz QYVXZZVWWZMFGG-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC000277262243 379113941 /nfs/dbraw/zinc/11/39/41/379113941.db2.gz QYVXZZVWWZMFGG-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H](N(C)C)CC2)c(C)c1 ZINC000277531454 379182937 /nfs/dbraw/zinc/18/29/37/379182937.db2.gz PWEHBSCVZPQZBC-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c(C)c1 ZINC000277531454 379182943 /nfs/dbraw/zinc/18/29/43/379182943.db2.gz PWEHBSCVZPQZBC-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1nc(C)c([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)s1 ZINC000373525080 379293473 /nfs/dbraw/zinc/29/34/73/379293473.db2.gz XDBCZNVKRXCETG-LRVUVFPRSA-N 1 3 293.480 3.427 20 0 CGADHO Cc1nc(F)ccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000278437224 379386997 /nfs/dbraw/zinc/38/69/97/379386997.db2.gz KXYJZLGTRIUILU-UHFFFAOYSA-N 1 3 293.430 3.083 20 0 CGADHO C1=CC[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000349803418 379391700 /nfs/dbraw/zinc/39/17/00/379391700.db2.gz OGPXTBCZOKLCCW-MRXNPFEDSA-N 1 3 262.441 3.293 20 0 CGADHO C1=CC[C@@H](CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000349803418 379391710 /nfs/dbraw/zinc/39/17/10/379391710.db2.gz OGPXTBCZOKLCCW-MRXNPFEDSA-N 1 3 262.441 3.293 20 0 CGADHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000640351066 379774157 /nfs/dbraw/zinc/77/41/57/379774157.db2.gz WVBKDYTXMMYKLW-QGZVFWFLSA-N 1 3 297.531 3.017 20 0 CGADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000640351066 379774159 /nfs/dbraw/zinc/77/41/59/379774159.db2.gz WVBKDYTXMMYKLW-QGZVFWFLSA-N 1 3 297.531 3.017 20 0 CGADHO C[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CN1CCCC1 ZINC000280765158 379783991 /nfs/dbraw/zinc/78/39/91/379783991.db2.gz FTLSAVFVOPEIEV-CRAIPNDOSA-N 1 3 287.451 3.244 20 0 CGADHO C[C@H](c1ccccn1)N(C)CCCC[NH+]1CCCCC1 ZINC000640532963 379819225 /nfs/dbraw/zinc/81/92/25/379819225.db2.gz LQDHRRZZNKGMLB-MRXNPFEDSA-N 1 3 275.440 3.341 20 0 CGADHO c1ccc2c(c1)CCCN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000388876541 379889883 /nfs/dbraw/zinc/88/98/83/379889883.db2.gz YDSUYGMEADGWPF-UHFFFAOYSA-N 1 3 292.426 3.281 20 0 CGADHO C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@H]1CCCN1 ZINC000400340183 379949710 /nfs/dbraw/zinc/94/97/10/379949710.db2.gz HDXYITWTXOIXDK-IWCVFHTOSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2CC2)C1 ZINC000409446019 380033492 /nfs/dbraw/zinc/03/34/92/380033492.db2.gz AWZCKYLSKAQCNW-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2CC2)C1 ZINC000409446019 380033498 /nfs/dbraw/zinc/03/34/98/380033498.db2.gz AWZCKYLSKAQCNW-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446019 380033500 /nfs/dbraw/zinc/03/35/00/380033500.db2.gz AWZCKYLSKAQCNW-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446019 380033502 /nfs/dbraw/zinc/03/35/02/380033502.db2.gz AWZCKYLSKAQCNW-WBVHZDCISA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000283936192 380107087 /nfs/dbraw/zinc/10/70/87/380107087.db2.gz JLRZWYAYRZLZIS-CQSZACIVSA-N 1 3 288.435 3.048 20 0 CGADHO C[C@H]1C[C@H](NCc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180669 190383840 /nfs/dbraw/zinc/38/38/40/190383840.db2.gz IQKBSYNKXLMKDI-GXTWGEPZSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@H](NCc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180669 190383841 /nfs/dbraw/zinc/38/38/41/190383841.db2.gz IQKBSYNKXLMKDI-GXTWGEPZSA-N 1 3 274.433 3.474 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1ccc(Cl)cc1 ZINC000643076734 380210276 /nfs/dbraw/zinc/21/02/76/380210276.db2.gz LVKOLLDAYRYOMR-HNNXBMFYSA-N 1 3 296.842 3.087 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCCCOc1ccc(Cl)cc1 ZINC000643076734 380210282 /nfs/dbraw/zinc/21/02/82/380210282.db2.gz LVKOLLDAYRYOMR-HNNXBMFYSA-N 1 3 296.842 3.087 20 0 CGADHO Cc1cccc(C[C@H](NC[C@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501628 380323389 /nfs/dbraw/zinc/32/33/89/380323389.db2.gz MRIKQLRHOCNYOI-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643502853 380326020 /nfs/dbraw/zinc/32/60/20/380326020.db2.gz TYWGLJAJPHWHND-ZACQAIPSSA-N 1 3 287.451 3.148 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cnn(C2CCCC2)c1 ZINC000643512363 380333935 /nfs/dbraw/zinc/33/39/35/380333935.db2.gz QBMMQOVLUYHPBD-JJRVBVJISA-N 1 3 290.455 3.166 20 0 CGADHO CC(C)[NH+]1CCC(Nc2ccc(CN(C)C)cc2F)CC1 ZINC000414500580 380275661 /nfs/dbraw/zinc/27/56/61/380275661.db2.gz QOOCFUDDBDMYHN-UHFFFAOYSA-N 1 3 293.430 3.172 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457571 380309926 /nfs/dbraw/zinc/30/99/26/380309926.db2.gz NKSFYOWLQQNGAG-IAQYHMDHSA-N 1 3 291.826 3.081 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000643548750 380364751 /nfs/dbraw/zinc/36/47/51/380364751.db2.gz URFOFVMBLDNKRO-QZTJIDSGSA-N 1 3 284.447 3.198 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643549009 380367029 /nfs/dbraw/zinc/36/70/29/380367029.db2.gz YYJNFFRTRBCABD-SOUVJXGZSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1C[C@@H](CN(C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685071 380372956 /nfs/dbraw/zinc/37/29/56/380372956.db2.gz XSEYLJVSWHYAQC-OLZOCXBDSA-N 1 3 289.448 3.116 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]([NH2+]Cc1ccc3c(c1)CNC3)C2 ZINC000643523904 380340523 /nfs/dbraw/zinc/34/05/23/380340523.db2.gz NCMUPDZTPAFTHE-HXUWFJFHSA-N 1 3 292.426 3.327 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000643525886 380340667 /nfs/dbraw/zinc/34/06/67/380340667.db2.gz GTDFRWBTPKTLIM-KBPBESRZSA-N 1 3 270.376 3.477 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000643524228 380340941 /nfs/dbraw/zinc/34/09/41/380340941.db2.gz WXGAUGHWXLQFDM-PBFPGSCMSA-N 1 3 283.419 3.405 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CCN1 ZINC000643525750 380341200 /nfs/dbraw/zinc/34/12/00/380341200.db2.gz AQZKSDFDRCHBMW-COXVUDFISA-N 1 3 258.409 3.258 20 0 CGADHO C[C@H](N)C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526874 380343360 /nfs/dbraw/zinc/34/33/60/380343360.db2.gz BCZMSFCCGKICSN-SDBXPKJASA-N 1 3 273.207 3.381 20 0 CGADHO CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534212 380350015 /nfs/dbraw/zinc/35/00/15/380350015.db2.gz OJIFQDCJGNSTQP-GJZGRUSLSA-N 1 3 280.362 3.148 20 0 CGADHO C1CC2(C1)C[C@@H]([NH2+][C@H]1CCCC13CCCC3)CCN2 ZINC000643547361 380362790 /nfs/dbraw/zinc/36/27/90/380362790.db2.gz DISCGLYIFHWYEJ-GJZGRUSLSA-N 1 3 262.441 3.364 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[C@H](C)N)cc1 ZINC000414818502 380429566 /nfs/dbraw/zinc/42/95/66/380429566.db2.gz FEXVFURMKHOKBJ-QGTPRVQTSA-N 1 3 290.451 3.437 20 0 CGADHO CC(C)C[C@H](CN)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414831039 380440090 /nfs/dbraw/zinc/44/00/90/380440090.db2.gz BTJUESHODZUPJF-SECBINFHSA-N 1 3 280.359 3.230 20 0 CGADHO Clc1ccc(Cl)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414831765 380440567 /nfs/dbraw/zinc/44/05/67/380440567.db2.gz NVXMDCXCFLDONX-JTQLQIEISA-N 1 3 273.207 3.083 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414843031 380450299 /nfs/dbraw/zinc/45/02/99/380450299.db2.gz PLIIHKMNKYTTKO-RCBQFDQVSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414843031 380450301 /nfs/dbraw/zinc/45/03/01/380450301.db2.gz PLIIHKMNKYTTKO-RCBQFDQVSA-N 1 3 280.843 3.421 20 0 CGADHO CC(C)c1ncc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414782742 380402191 /nfs/dbraw/zinc/40/21/91/380402191.db2.gz OTXGEEJYGYEILN-KGLIPLIRSA-N 1 3 293.480 3.088 20 0 CGADHO Fc1ccc(Cl)cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781468 380402310 /nfs/dbraw/zinc/40/23/10/380402310.db2.gz MYIVQVMXVNQPPG-OLZOCXBDSA-N 1 3 296.817 3.301 20 0 CGADHO CC(C)(C)[C@H]1CCC[C@H]([NH2+]C2CCNCC2)CC1 ZINC000414787849 380404355 /nfs/dbraw/zinc/40/43/55/380404355.db2.gz LSUCLMJNPIBYKF-KBPBESRZSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414793496 380408950 /nfs/dbraw/zinc/40/89/50/380408950.db2.gz DMKVVFYWWIFYQL-UKPHBRMFSA-N 1 3 278.415 3.254 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)CCc1ccc(Cl)s1 ZINC000414796231 380410922 /nfs/dbraw/zinc/41/09/22/380410922.db2.gz NYAGEDLTVBVBPK-PWSUYJOCSA-N 1 3 274.861 3.296 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414799118 380413318 /nfs/dbraw/zinc/41/33/18/380413318.db2.gz JQCKSAOXFPZGQT-CWRNSKLLSA-N 1 3 292.492 3.447 20 0 CGADHO CC(C)C[C@H](CNC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000414801148 380414659 /nfs/dbraw/zinc/41/46/59/380414659.db2.gz TWVVMBSNVOUUDK-IAGOWNOFSA-N 1 3 262.441 3.389 20 0 CGADHO CCC([NH3+])(CC)CNC[C@@H](C)c1ccc(F)cc1 ZINC000414803917 380416637 /nfs/dbraw/zinc/41/66/37/380416637.db2.gz DFGIIQVJFSZPJI-GFCCVEGCSA-N 1 3 252.377 3.036 20 0 CGADHO C[C@H]([NH3+])c1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000414805560 380418435 /nfs/dbraw/zinc/41/84/35/380418435.db2.gz GNFDVXRWJROHSV-NSHDSACASA-N 1 3 276.330 3.274 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414927741 380491845 /nfs/dbraw/zinc/49/18/45/380491845.db2.gz PJUNXXBQNMSWCZ-BRWVUGGUSA-N 1 3 260.425 3.257 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)c1cccc(Cl)c1 ZINC000414937684 380497315 /nfs/dbraw/zinc/49/73/15/380497315.db2.gz IANVCKTZVVJLCQ-LALPHHSUSA-N 1 3 266.816 3.031 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000414945188 380499952 /nfs/dbraw/zinc/49/99/52/380499952.db2.gz RCVLOOXGXWSFJS-UBDQQSCGSA-N 1 3 272.436 3.219 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000414951075 380502883 /nfs/dbraw/zinc/50/28/83/380502883.db2.gz GSGBKJUODZLGCI-BBRMVZONSA-N 1 3 260.425 3.072 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCNCC1)C(C)(C)c1ccccc1 ZINC000415089736 380506671 /nfs/dbraw/zinc/50/66/71/380506671.db2.gz WRBFTWATSIFKJM-HOCLYGCPSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@H](N[C@H]1CCC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000415089736 380506674 /nfs/dbraw/zinc/50/66/74/380506674.db2.gz WRBFTWATSIFKJM-HOCLYGCPSA-N 1 3 260.425 3.084 20 0 CGADHO c1ccc([C@H]2C[N@@H+](C[C@@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130166 380509067 /nfs/dbraw/zinc/50/90/67/380509067.db2.gz WDEVNZCADLHOLN-SJLPKXTDSA-N 1 3 284.447 3.256 20 0 CGADHO c1ccc([C@H]2C[N@H+](C[C@@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130166 380509077 /nfs/dbraw/zinc/50/90/77/380509077.db2.gz WDEVNZCADLHOLN-SJLPKXTDSA-N 1 3 284.447 3.256 20 0 CGADHO NC1(C[NH2+]Cc2ccc(-n3cccn3)cc2)CCCCCC1 ZINC000414857850 380458996 /nfs/dbraw/zinc/45/89/96/380458996.db2.gz GHPYMLKTSUMDID-UHFFFAOYSA-N 1 3 298.434 3.014 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414863797 380463592 /nfs/dbraw/zinc/46/35/92/380463592.db2.gz YFBHTUSNBRCXJC-OFQRWUPVSA-N 1 3 292.492 3.317 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414863797 380463598 /nfs/dbraw/zinc/46/35/98/380463598.db2.gz YFBHTUSNBRCXJC-OFQRWUPVSA-N 1 3 292.492 3.317 20 0 CGADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCCC(C)(C)C)cc1 ZINC000414877442 380472034 /nfs/dbraw/zinc/47/20/34/380472034.db2.gz FXESEEWWVPXIOL-IRXDYDNUSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000414879474 380472457 /nfs/dbraw/zinc/47/24/57/380472457.db2.gz PLOMZZPHUXNXSB-XLIONFOSSA-N 1 3 296.458 3.415 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354846274 380558653 /nfs/dbraw/zinc/55/86/53/380558653.db2.gz JMRBJSDJHSYYNZ-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354846274 380558661 /nfs/dbraw/zinc/55/86/61/380558661.db2.gz JMRBJSDJHSYYNZ-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354846274 380558665 /nfs/dbraw/zinc/55/86/65/380558665.db2.gz JMRBJSDJHSYYNZ-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354846274 380558673 /nfs/dbraw/zinc/55/86/73/380558673.db2.gz JMRBJSDJHSYYNZ-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354846276 380558994 /nfs/dbraw/zinc/55/89/94/380558994.db2.gz JMRBJSDJHSYYNZ-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354846276 380559001 /nfs/dbraw/zinc/55/90/01/380559001.db2.gz JMRBJSDJHSYYNZ-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354846276 380559006 /nfs/dbraw/zinc/55/90/06/380559006.db2.gz JMRBJSDJHSYYNZ-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354846276 380559012 /nfs/dbraw/zinc/55/90/12/380559012.db2.gz JMRBJSDJHSYYNZ-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO C[C@@H](CN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000645076702 380573015 /nfs/dbraw/zinc/57/30/15/380573015.db2.gz GFYPRXNZVSEYKX-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)CN(C)C ZINC000417353113 380603780 /nfs/dbraw/zinc/60/37/80/380603780.db2.gz WOELTDLUHLUPKZ-XDQVBPFNSA-N 1 3 266.454 3.027 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420265456 380845700 /nfs/dbraw/zinc/84/57/00/380845700.db2.gz VHORIEOYLDOSBE-CABCVRRESA-N 1 3 295.430 3.151 20 0 CGADHO c1c2ccccc2oc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357059219 381015361 /nfs/dbraw/zinc/01/53/61/381015361.db2.gz WOURIRPZXPJEJU-INIZCTEOSA-N 1 3 284.403 3.254 20 0 CGADHO C[C@H](C[NH2+]CC(C)(C)CN1CCCC1)CC1CCOCC1 ZINC000360163594 381462869 /nfs/dbraw/zinc/46/28/69/381462869.db2.gz CWDYRCPUXXYATF-INIZCTEOSA-N 1 3 296.499 3.151 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(CCCc3ccsc3)CC[C@H]21 ZINC000360969465 381634449 /nfs/dbraw/zinc/63/44/49/381634449.db2.gz GYIMYEDBAYQDOJ-HZPDHXFCSA-N 1 3 278.465 3.097 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(CCCc3ccsc3)CC[C@H]21 ZINC000360969465 381634458 /nfs/dbraw/zinc/63/44/58/381634458.db2.gz GYIMYEDBAYQDOJ-HZPDHXFCSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969465 381634468 /nfs/dbraw/zinc/63/44/68/381634468.db2.gz GYIMYEDBAYQDOJ-HZPDHXFCSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccsc3)CC[C@H]21 ZINC000360969465 381634479 /nfs/dbraw/zinc/63/44/79/381634479.db2.gz GYIMYEDBAYQDOJ-HZPDHXFCSA-N 1 3 278.465 3.097 20 0 CGADHO Cc1ccsc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334869070 207215932 /nfs/dbraw/zinc/21/59/32/207215932.db2.gz OKKGBWBHKNDVLZ-ZIAGYGMSSA-N 1 3 264.438 3.021 20 0 CGADHO CCC[NH+]1CCC(CNCc2cc(F)ccc2OC)CC1 ZINC000360973193 381637731 /nfs/dbraw/zinc/63/77/31/381637731.db2.gz ADXPBLMSILNCEH-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362921698 382148637 /nfs/dbraw/zinc/14/86/37/382148637.db2.gz IBSFUNPENQXOJI-OAHLLOKOSA-N 1 3 264.457 3.419 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2cccs2)C2CC2)C1 ZINC000573623748 322397929 /nfs/dbraw/zinc/39/79/29/322397929.db2.gz DZJBDAPVCWXGHA-YRGRVCCFSA-N 1 3 250.411 3.059 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1Cc2ccccc21 ZINC000251255114 542345919 /nfs/dbraw/zinc/34/59/19/542345919.db2.gz VDDVOGCAOAQEIX-DJIMGWMZSA-N 1 3 272.436 3.227 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353775269 220322976 /nfs/dbraw/zinc/32/29/76/220322976.db2.gz KZYKSYCPJJRNQF-GRDNDAEWSA-N 1 3 276.424 3.076 20 0 CGADHO Cc1ccncc1CCC[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000289284408 197283929 /nfs/dbraw/zinc/28/39/29/197283929.db2.gz OZBAJYZTZROCEC-MRXNPFEDSA-N 1 3 289.467 3.034 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)c(C)c1 ZINC000414064386 533108979 /nfs/dbraw/zinc/10/89/79/533108979.db2.gz FQXVSNYKEKBOHX-GOEBONIOSA-N 1 3 290.451 3.386 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c(C)c1 ZINC000414064389 533168844 /nfs/dbraw/zinc/16/88/44/533168844.db2.gz FQXVSNYKEKBOHX-ZBFHGGJFSA-N 1 3 290.451 3.386 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1(CC)CC ZINC000339068180 542485856 /nfs/dbraw/zinc/48/58/56/542485856.db2.gz LXOBKOKATWNBSU-LUKYLMHMSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1(CC)CC ZINC000339068180 542485861 /nfs/dbraw/zinc/48/58/61/542485861.db2.gz LXOBKOKATWNBSU-LUKYLMHMSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423342342 533366539 /nfs/dbraw/zinc/36/65/39/533366539.db2.gz KTPCPHDBHBKWFW-SNVBAGLBSA-N 1 3 268.763 3.049 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423343392 533377966 /nfs/dbraw/zinc/37/79/66/533377966.db2.gz WFNDMGKDRHSUNF-GFCCVEGCSA-N 1 3 275.421 3.200 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)COC2 ZINC000423393632 533449761 /nfs/dbraw/zinc/44/97/61/533449761.db2.gz QTKUBMRNSSKBMN-CYBMUJFWSA-N 1 3 294.398 3.171 20 0 CGADHO C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H](C)N ZINC000423446137 533514937 /nfs/dbraw/zinc/51/49/37/533514937.db2.gz NZZLZTJDVYGDLP-IMSIIYSGSA-N 1 3 286.341 3.482 20 0 CGADHO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)[C@H](C)N ZINC000423440358 533538398 /nfs/dbraw/zinc/53/83/98/533538398.db2.gz IPTVUVNOVSIKHC-HDMKZQKVSA-N 1 3 268.404 3.296 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CNC1CC[NH+](C)CC1 ZINC000190811277 130149846 /nfs/dbraw/zinc/14/98/46/130149846.db2.gz YZCACPDELBWIMG-UHFFFAOYSA-N 1 3 286.341 3.198 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414910500 542639230 /nfs/dbraw/zinc/63/92/30/542639230.db2.gz CYEAKIJZXUPUMV-QWHCGFSZSA-N 1 3 252.789 3.008 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000414919922 542639846 /nfs/dbraw/zinc/63/98/46/542639846.db2.gz WCGDAOXCRGUMGW-OLZOCXBDSA-N 1 3 286.341 3.373 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000414919921 542639886 /nfs/dbraw/zinc/63/98/86/542639886.db2.gz WCGDAOXCRGUMGW-CHWSQXEVSA-N 1 3 286.341 3.373 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414931053 542640148 /nfs/dbraw/zinc/64/01/48/542640148.db2.gz UASPLEYWAOFEEJ-KGLIPLIRSA-N 1 3 266.816 3.316 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414927319 542640241 /nfs/dbraw/zinc/64/02/41/542640241.db2.gz OXYSGFQUPSZRGI-QEJZJMRPSA-N 1 3 278.465 3.199 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414927319 542640244 /nfs/dbraw/zinc/64/02/44/542640244.db2.gz OXYSGFQUPSZRGI-QEJZJMRPSA-N 1 3 278.465 3.199 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1cccc(Cl)c1 ZINC000414923580 542640378 /nfs/dbraw/zinc/64/03/78/542640378.db2.gz IOPCASWBNYKKMR-KCPJHIHWSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000414923580 542640383 /nfs/dbraw/zinc/64/03/83/542640383.db2.gz IOPCASWBNYKKMR-KCPJHIHWSA-N 1 3 266.816 3.303 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000414926645 542641021 /nfs/dbraw/zinc/64/10/21/542641021.db2.gz NQKCKJPIXWDKBL-TWMKSMIVSA-N 1 3 276.399 3.321 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CC1 ZINC000092043716 392231143 /nfs/dbraw/zinc/23/11/43/392231143.db2.gz YBXQOMJAEQWDLG-BHUNQDJPSA-N 1 3 264.457 3.229 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CC1 ZINC000092043716 392231147 /nfs/dbraw/zinc/23/11/47/392231147.db2.gz YBXQOMJAEQWDLG-BHUNQDJPSA-N 1 3 264.457 3.229 20 0 CGADHO CCS[C@H]1CC[C@@H](N(C)CCC[NH+]2CCCCC2)C1 ZINC000361260440 392270149 /nfs/dbraw/zinc/27/01/49/392270149.db2.gz BXWZYTWOTHKUHJ-CVEARBPZSA-N 1 3 284.513 3.468 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000285808609 392332724 /nfs/dbraw/zinc/33/27/24/392332724.db2.gz WHOHUQWUGBDQSF-CZUORRHYSA-N 1 3 271.408 3.049 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000285808609 392332728 /nfs/dbraw/zinc/33/27/28/392332728.db2.gz WHOHUQWUGBDQSF-CZUORRHYSA-N 1 3 271.408 3.049 20 0 CGADHO CC1(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CCC1 ZINC000434773020 542657178 /nfs/dbraw/zinc/65/71/78/542657178.db2.gz FCLNIXIXCBDTPW-GOSISDBHSA-N 1 3 286.463 3.331 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382041 131121258 /nfs/dbraw/zinc/12/12/58/131121258.db2.gz SZJNJDOJTGUOHN-CABCVRRESA-N 1 3 272.436 3.168 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382041 131121259 /nfs/dbraw/zinc/12/12/59/131121259.db2.gz SZJNJDOJTGUOHN-CABCVRRESA-N 1 3 272.436 3.168 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000249382041 131121261 /nfs/dbraw/zinc/12/12/61/131121261.db2.gz SZJNJDOJTGUOHN-CABCVRRESA-N 1 3 272.436 3.168 20 0 CGADHO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000123063222 392425251 /nfs/dbraw/zinc/42/52/51/392425251.db2.gz CPOBAPDGKJRDQM-ROUUACIJSA-N 1 3 294.483 3.331 20 0 CGADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000123063222 392425258 /nfs/dbraw/zinc/42/52/58/392425258.db2.gz CPOBAPDGKJRDQM-ROUUACIJSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccc(OC)c1 ZINC000165278409 392606606 /nfs/dbraw/zinc/60/66/06/392606606.db2.gz DEAVBXUYCAIJFC-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283781 392635896 /nfs/dbraw/zinc/63/58/96/392635896.db2.gz MVDNYZGTKBKHRE-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283781 392635898 /nfs/dbraw/zinc/63/58/98/392635898.db2.gz MVDNYZGTKBKHRE-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283781 392635900 /nfs/dbraw/zinc/63/59/00/392635900.db2.gz MVDNYZGTKBKHRE-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647479322 392734818 /nfs/dbraw/zinc/73/48/18/392734818.db2.gz CBWJVBURKATOEM-YDZRNGNQSA-N 1 3 284.447 3.254 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+](C1CC1)C1CCNCC1 ZINC000647482677 392736326 /nfs/dbraw/zinc/73/63/26/392736326.db2.gz XUNVVRDQMYXBMP-UHFFFAOYSA-N 1 3 284.403 3.458 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+](C1CC1)C1CCNCC1 ZINC000647482677 392736333 /nfs/dbraw/zinc/73/63/33/392736333.db2.gz XUNVVRDQMYXBMP-UHFFFAOYSA-N 1 3 284.403 3.458 20 0 CGADHO c1cc(C[N@H+](C2CC2)C2CCNCC2)cc(C2CC2)c1 ZINC000647482502 392737288 /nfs/dbraw/zinc/73/72/88/392737288.db2.gz KKLSWVTXTNQSAF-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO c1cc(C[N@@H+](C2CC2)C2CCNCC2)cc(C2CC2)c1 ZINC000647482502 392737290 /nfs/dbraw/zinc/73/72/90/392737290.db2.gz KKLSWVTXTNQSAF-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO CC[C@@H]1C[N@H+](CCc2ccc(C(C)C)cc2)CC[C@H]1N ZINC000647497453 392740801 /nfs/dbraw/zinc/74/08/01/392740801.db2.gz IJJGAFMXNBPBAR-SJLPKXTDSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@H]1N ZINC000647497453 392740802 /nfs/dbraw/zinc/74/08/02/392740802.db2.gz IJJGAFMXNBPBAR-SJLPKXTDSA-N 1 3 274.452 3.412 20 0 CGADHO c1cnc2c(c1)cccc2CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334871117 392756237 /nfs/dbraw/zinc/75/62/37/392756237.db2.gz YBGMJRZLMIHYIF-SJLPKXTDSA-N 1 3 295.430 3.199 20 0 CGADHO CC(C)(CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000647541519 392757752 /nfs/dbraw/zinc/75/77/52/392757752.db2.gz QSRLHDZEMZRLRB-SFHVURJKSA-N 1 3 272.436 3.040 20 0 CGADHO COC[C@H](NC1CC[NH+](C2CCCC2)CC1)C1CCCC1 ZINC000375346274 392770664 /nfs/dbraw/zinc/77/06/64/392770664.db2.gz WIBPKQDUJNQKPT-SFHVURJKSA-N 1 3 294.483 3.188 20 0 CGADHO CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000375762780 392816443 /nfs/dbraw/zinc/81/64/43/392816443.db2.gz KUVYIHVHEJOMDC-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000375762780 392816447 /nfs/dbraw/zinc/81/64/47/392816447.db2.gz KUVYIHVHEJOMDC-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO C[N@@H+]1CC[C@@H](Nc2nccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000647873805 392819256 /nfs/dbraw/zinc/81/92/56/392819256.db2.gz IBQFAVAMQWNBOX-IAGOWNOFSA-N 1 3 292.386 3.420 20 0 CGADHO C[N@H+]1CC[C@@H](Nc2nccc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000647873805 392819262 /nfs/dbraw/zinc/81/92/62/392819262.db2.gz IBQFAVAMQWNBOX-IAGOWNOFSA-N 1 3 292.386 3.420 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@@H](CC)c1ccccc1 ZINC000647878618 392821287 /nfs/dbraw/zinc/82/12/87/392821287.db2.gz UBBOOFTYFKTBDP-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CC(C)(C)CN(Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647884489 392824589 /nfs/dbraw/zinc/82/45/89/392824589.db2.gz VVMXNTSTQGNCKN-MRXNPFEDSA-N 1 3 260.425 3.144 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@H]2CC[NH2+]C2)c1C ZINC000647888031 392826874 /nfs/dbraw/zinc/82/68/74/392826874.db2.gz CYWPRYJNWVWCAO-RDJZCZTQSA-N 1 3 258.409 3.050 20 0 CGADHO Clc1ccc(CCN(CC2CC2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647885921 392827327 /nfs/dbraw/zinc/82/73/27/392827327.db2.gz LKWZBMKZSOXMIZ-INIZCTEOSA-N 1 3 292.854 3.204 20 0 CGADHO Clc1ccccc1C1(NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000647995235 392860482 /nfs/dbraw/zinc/86/04/82/392860482.db2.gz ILYFKABGLSMRJJ-ZDUSSCGKSA-N 1 3 278.827 3.308 20 0 CGADHO NC[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000393262987 392931813 /nfs/dbraw/zinc/93/18/13/392931813.db2.gz UOIPYAWWUYGOSI-UXHICEINSA-N 1 3 294.442 3.294 20 0 CGADHO NC[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000393262987 392931818 /nfs/dbraw/zinc/93/18/18/392931818.db2.gz UOIPYAWWUYGOSI-UXHICEINSA-N 1 3 294.442 3.294 20 0 CGADHO Cc1cc(F)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414993808 393083956 /nfs/dbraw/zinc/08/39/56/393083956.db2.gz CTVLFEPTFQYFGT-NEPJUHHUSA-N 1 3 284.806 3.395 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2ccco2)n1 ZINC000415012127 393095487 /nfs/dbraw/zinc/09/54/87/393095487.db2.gz IQXFRMUMTZGHIC-NSHDSACASA-N 1 3 279.409 3.010 20 0 CGADHO Cc1ccc(-c2nc(CN[C@@H](C)CCC[NH3+])cs2)cc1 ZINC000415024681 393101800 /nfs/dbraw/zinc/10/18/00/393101800.db2.gz PIKMEOUDAWKFKS-ZDUSSCGKSA-N 1 3 289.448 3.336 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3ccccc3)n2)C1 ZINC000415031485 393104500 /nfs/dbraw/zinc/10/45/00/393104500.db2.gz GWATZLGHUZZDLB-OCCSQVGLSA-N 1 3 287.432 3.027 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCN1 ZINC000414953755 393061193 /nfs/dbraw/zinc/06/11/93/393061193.db2.gz RXBPKBRSWOQSQU-DDBAPUKQSA-N 1 3 272.436 3.227 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNCC1(C)C)c1cccc(Cl)c1 ZINC000414963926 393069847 /nfs/dbraw/zinc/06/98/47/393069847.db2.gz DMCPSBFSYMTQED-DOMZBBRYSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC1(C)C)c1cccc(Cl)c1 ZINC000414963926 393069854 /nfs/dbraw/zinc/06/98/54/393069854.db2.gz DMCPSBFSYMTQED-DOMZBBRYSA-N 1 3 280.843 3.421 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414970310 393072631 /nfs/dbraw/zinc/07/26/31/393072631.db2.gz KHTMWALHEVXYKY-MRXNPFEDSA-N 1 3 258.409 3.042 20 0 CGADHO Clc1ccsc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414971512 393072988 /nfs/dbraw/zinc/07/29/88/393072988.db2.gz WGGLBTIZOONCDK-JTQLQIEISA-N 1 3 258.818 3.023 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccc(Cl)s1 ZINC000414987549 393080897 /nfs/dbraw/zinc/08/08/97/393080897.db2.gz KKASOQXBWWXISE-NXEZZACHSA-N 1 3 260.834 3.050 20 0 CGADHO CCCCCOc1ccc(C[NH2+]C[C@H](N)CC)cc1 ZINC000414988340 393081014 /nfs/dbraw/zinc/08/10/14/393081014.db2.gz ZQUZUZZIXSORIB-OAHLLOKOSA-N 1 3 264.413 3.083 20 0 CGADHO C[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)C[C@@]1(C)CN ZINC000415050433 393113062 /nfs/dbraw/zinc/11/30/62/393113062.db2.gz CONFCAWOAUECKM-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)C[C@@]1(C)CN ZINC000415050433 393113067 /nfs/dbraw/zinc/11/30/67/393113067.db2.gz CONFCAWOAUECKM-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)C[C@@]1(C)C[NH3+] ZINC000415050433 393113073 /nfs/dbraw/zinc/11/30/73/393113073.db2.gz CONFCAWOAUECKM-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251190520 393117445 /nfs/dbraw/zinc/11/74/45/393117445.db2.gz SMVZLGNVZAKXRW-KKUMJFAQSA-N 1 3 250.430 3.172 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415063621 393123969 /nfs/dbraw/zinc/12/39/69/393123969.db2.gz AQHLYSYMBOFKPQ-DLBZAZTESA-N 1 3 258.409 3.054 20 0 CGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000415082455 393136456 /nfs/dbraw/zinc/13/64/56/393136456.db2.gz OJSXUXYWGNUNPR-PVAVHDDUSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)c1ccc(C)cc1 ZINC000415082455 393136462 /nfs/dbraw/zinc/13/64/62/393136462.db2.gz OJSXUXYWGNUNPR-PVAVHDDUSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415132418 393155430 /nfs/dbraw/zinc/15/54/30/393155430.db2.gz UEJUXZDLZGIBBZ-BFYDXBDKSA-N 1 3 260.425 3.097 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415132418 393155436 /nfs/dbraw/zinc/15/54/36/393155436.db2.gz UEJUXZDLZGIBBZ-BFYDXBDKSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(-c3ccncc3)c2)C[C@@H]1C[NH3+] ZINC000415133176 393155945 /nfs/dbraw/zinc/15/59/45/393155945.db2.gz UXWYOMJHLPUABY-BEFAXECRSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCC1CC1)CN1CCCCC1 ZINC000469796551 393216613 /nfs/dbraw/zinc/21/66/13/393216613.db2.gz GWLFLUQMDUNYIR-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO Fc1cccc(CCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420379977 393479983 /nfs/dbraw/zinc/47/99/83/393479983.db2.gz BXIDVHFCRFSVDN-WMZOPIPTSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000480600366 393435551 /nfs/dbraw/zinc/43/55/51/393435551.db2.gz IYBPCYIMOKMHRA-QLFBSQMISA-N 1 3 254.462 3.379 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266784 393443217 /nfs/dbraw/zinc/44/32/17/393443217.db2.gz GCJVZGMOELFZBD-IRXDYDNUSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266784 393443221 /nfs/dbraw/zinc/44/32/21/393443221.db2.gz GCJVZGMOELFZBD-IRXDYDNUSA-N 1 3 264.457 3.373 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425916668 393445255 /nfs/dbraw/zinc/44/52/55/393445255.db2.gz FZCRBAVEZKPQCI-PBHICJAKSA-N 1 3 280.431 3.180 20 0 CGADHO Cc1ccsc1[C@H](Cc1ccccc1)NCCC[NH3+] ZINC000420396363 393482408 /nfs/dbraw/zinc/48/24/08/393482408.db2.gz FAMXRGCDXDKYSL-HNNXBMFYSA-N 1 3 274.433 3.279 20 0 CGADHO c1ccc(CCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420392019 393482429 /nfs/dbraw/zinc/48/24/29/393482429.db2.gz IUEWEAQOUOVYTR-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO CSc1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420313789 393461525 /nfs/dbraw/zinc/46/15/25/393461525.db2.gz KDJSJFHIFADVCH-OAHLLOKOSA-N 1 3 290.476 3.230 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCF ZINC000420319637 393465825 /nfs/dbraw/zinc/46/58/25/393465825.db2.gz XZDDQOAVZFPJOJ-SJORKVTESA-N 1 3 278.415 3.018 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCF ZINC000420319637 393465833 /nfs/dbraw/zinc/46/58/33/393465833.db2.gz XZDDQOAVZFPJOJ-SJORKVTESA-N 1 3 278.415 3.018 20 0 CGADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCCF ZINC000420319637 393465840 /nfs/dbraw/zinc/46/58/40/393465840.db2.gz XZDDQOAVZFPJOJ-SJORKVTESA-N 1 3 278.415 3.018 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429536144 393475909 /nfs/dbraw/zinc/47/59/09/393475909.db2.gz DZXLLDKGCSWYJQ-AEFFLSMTSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429536144 393475913 /nfs/dbraw/zinc/47/59/13/393475913.db2.gz DZXLLDKGCSWYJQ-AEFFLSMTSA-N 1 3 274.452 3.424 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000429545611 393477582 /nfs/dbraw/zinc/47/75/82/393477582.db2.gz DECCRQBNIMQWJJ-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000429545611 393477588 /nfs/dbraw/zinc/47/75/88/393477588.db2.gz DECCRQBNIMQWJJ-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO COc1cccc([C@@H](C)N2CCC(C[NH+](C)C)CC2)c1 ZINC000488417178 393505032 /nfs/dbraw/zinc/50/50/32/393505032.db2.gz RMZTUHVCRNOXRJ-CQSZACIVSA-N 1 3 276.424 3.030 20 0 CGADHO CC(C)C1CC([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000488447745 393516638 /nfs/dbraw/zinc/51/66/38/393516638.db2.gz KMEANAOMVBLONI-QQFBHYJXSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1cc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccn1 ZINC000358151495 393520493 /nfs/dbraw/zinc/52/04/93/393520493.db2.gz ODEIZRULTWTZQU-HLLBOEOZSA-N 1 3 273.424 3.232 20 0 CGADHO Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccn1 ZINC000358151495 393520500 /nfs/dbraw/zinc/52/05/00/393520500.db2.gz ODEIZRULTWTZQU-HLLBOEOZSA-N 1 3 273.424 3.232 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCSc2ccc(Cl)cc2)C1 ZINC000430560833 393574444 /nfs/dbraw/zinc/57/44/44/393574444.db2.gz XNSPAKDMGIMAQS-QWHCGFSZSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCc2ccc(Cl)cc2)C1 ZINC000430565495 393577018 /nfs/dbraw/zinc/57/70/18/393577018.db2.gz AMPXUJKYNBCNBV-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000430707471 393589481 /nfs/dbraw/zinc/58/94/81/393589481.db2.gz GONVLDYIIRGNBS-NUEKZKHPSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1c(Cl)cccc1Cl ZINC000422729770 393640667 /nfs/dbraw/zinc/64/06/67/393640667.db2.gz CGPFXFAXYFZPME-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000422729770 393640668 /nfs/dbraw/zinc/64/06/68/393640668.db2.gz CGPFXFAXYFZPME-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699550 393640730 /nfs/dbraw/zinc/64/07/30/393640730.db2.gz DPLSSGCUIOXNSQ-XJKSGUPXSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699550 393640738 /nfs/dbraw/zinc/64/07/38/393640738.db2.gz DPLSSGCUIOXNSQ-XJKSGUPXSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H](CN[C@H](C)C1C[NH2+]C1)c1c(Cl)cccc1Cl ZINC000422882488 393646283 /nfs/dbraw/zinc/64/62/83/393646283.db2.gz SKTGHCPZCZACRJ-VHSXEESVSA-N 1 3 287.234 3.294 20 0 CGADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)c1c(Cl)cccc1Cl ZINC000422882488 393646287 /nfs/dbraw/zinc/64/62/87/393646287.db2.gz SKTGHCPZCZACRJ-VHSXEESVSA-N 1 3 287.234 3.294 20 0 CGADHO CC1(C)CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])c2ccccc21 ZINC000423017323 393647288 /nfs/dbraw/zinc/64/72/88/393647288.db2.gz OLTUTOQUNRKOFG-KBRIMQKVSA-N 1 3 272.436 3.311 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423169344 393653830 /nfs/dbraw/zinc/65/38/30/393653830.db2.gz JGHBUZLGLIWOGM-DZOHQFGASA-N 1 3 286.463 3.404 20 0 CGADHO CC1(C)CC[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423218121 393654906 /nfs/dbraw/zinc/65/49/06/393654906.db2.gz UZFGIKFOJTYDNI-WMLDXEAASA-N 1 3 272.436 3.388 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423257952 393656333 /nfs/dbraw/zinc/65/63/33/393656333.db2.gz AVCLTTBVZVJHBC-JSGCOSHPSA-N 1 3 282.428 3.326 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423269011 393657896 /nfs/dbraw/zinc/65/78/96/393657896.db2.gz GTTOQXZMFKRPHB-KBPBESRZSA-N 1 3 297.240 3.009 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423275729 393658181 /nfs/dbraw/zinc/65/81/81/393658181.db2.gz NOIFXAJJIBCZHD-HYVNUMGLSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)CC2 ZINC000423275729 393658182 /nfs/dbraw/zinc/65/81/82/393658182.db2.gz NOIFXAJJIBCZHD-HYVNUMGLSA-N 1 3 258.409 3.089 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423278858 393658907 /nfs/dbraw/zinc/65/89/07/393658907.db2.gz REDOMVOLOSBZAB-RTXFEEFZSA-N 1 3 252.427 3.259 20 0 CGADHO CC[NH2+][C@H](C)CN[C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423384103 393665643 /nfs/dbraw/zinc/66/56/43/393665643.db2.gz PYCQKOSLQBLKLP-IALDZJHCSA-N 1 3 280.378 3.331 20 0 CGADHO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000425363499 393693729 /nfs/dbraw/zinc/69/37/29/393693729.db2.gz WLAZWCDJQGFCTR-LUYZLQTOSA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425363499 393693731 /nfs/dbraw/zinc/69/37/31/393693731.db2.gz WLAZWCDJQGFCTR-LUYZLQTOSA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363499 393693732 /nfs/dbraw/zinc/69/37/32/393693732.db2.gz WLAZWCDJQGFCTR-LUYZLQTOSA-N 1 3 282.497 3.123 20 0 CGADHO C[C@@H](CC(C)(C)O)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449448111 393882450 /nfs/dbraw/zinc/88/24/50/393882450.db2.gz FCLFGPCDGHHQMQ-HLLBOEOZSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@@H](CC(C)(C)O)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449448111 393882452 /nfs/dbraw/zinc/88/24/52/393882452.db2.gz FCLFGPCDGHHQMQ-HLLBOEOZSA-N 1 3 296.499 3.169 20 0 CGADHO Cc1ccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2c1C ZINC000449559164 393902784 /nfs/dbraw/zinc/90/27/84/393902784.db2.gz BEJJXHWLVAOQHI-ZXFUBFMLSA-N 1 3 297.446 3.500 20 0 CGADHO CC[C@@H]1C[C@H](C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000503581446 393904969 /nfs/dbraw/zinc/90/49/69/393904969.db2.gz NPQJXFXDBNYMHE-UKRRQHHQSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@@H](C)C1 ZINC000666995548 542833350 /nfs/dbraw/zinc/83/33/50/542833350.db2.gz QYKUECOQJCDVDJ-BARDWOONSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)CCC(C[NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666996825 542833793 /nfs/dbraw/zinc/83/37/93/542833793.db2.gz HNPCGZMOQAKXLO-HNNXBMFYSA-N 1 3 264.457 3.467 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666997114 542834807 /nfs/dbraw/zinc/83/48/07/542834807.db2.gz XOVOFLYTYAVMRK-CQSZACIVSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1noc(C)c1C[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000667005602 542835726 /nfs/dbraw/zinc/83/57/26/542835726.db2.gz POMORYBIIFBOEM-DVOMOZLQSA-N 1 3 293.455 3.123 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCCc2cccnc2)C1 ZINC000453103938 394172328 /nfs/dbraw/zinc/17/23/28/394172328.db2.gz YEOMNZMXBDWQHX-SJLPKXTDSA-N 1 3 289.467 3.114 20 0 CGADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1cccc(F)c1F ZINC000453390076 394228225 /nfs/dbraw/zinc/22/82/25/394228225.db2.gz CWABHUUKSXGRFP-LBPRGKRZSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1cccc(F)c1F ZINC000453390076 394228228 /nfs/dbraw/zinc/22/82/28/394228228.db2.gz CWABHUUKSXGRFP-LBPRGKRZSA-N 1 3 282.378 3.490 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000668819927 543066505 /nfs/dbraw/zinc/06/65/05/543066505.db2.gz QQQDBOUXOKSZHI-NVXWUHKLSA-N 1 3 266.473 3.380 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CC2CCC1CC2 ZINC000394388670 397695060 /nfs/dbraw/zinc/69/50/60/397695060.db2.gz ZCHCJSVPRYWIKO-RDHHWEPZSA-N 1 3 264.457 3.277 20 0 CGADHO C[N@@H+](CCCCNCc1nc(-c2ccccc2)c[nH]1)C1CC1 ZINC000419722842 397700160 /nfs/dbraw/zinc/70/01/60/397700160.db2.gz BWBZGWZNKDHDLF-UHFFFAOYSA-N 1 3 298.434 3.041 20 0 CGADHO C[N@H+](CCCCNCc1nc(-c2ccccc2)c[nH]1)C1CC1 ZINC000419722842 397700157 /nfs/dbraw/zinc/70/01/57/397700157.db2.gz BWBZGWZNKDHDLF-UHFFFAOYSA-N 1 3 298.434 3.041 20 0 CGADHO C[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)[C@@H]1CC[NH3+] ZINC000650710942 397899183 /nfs/dbraw/zinc/89/91/83/397899183.db2.gz DGALQOMNFRKOGN-IUODEOHRSA-N 1 3 298.377 3.237 20 0 CGADHO [NH3+]Cc1ccc(CNCCC2CCCCC2)c(F)c1 ZINC000650716610 397900652 /nfs/dbraw/zinc/90/06/52/397900652.db2.gz DRKSEYFSAHVYCX-UHFFFAOYSA-N 1 3 264.388 3.344 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000650758270 397910625 /nfs/dbraw/zinc/91/06/25/397910625.db2.gz MDEXCXSTQJARIQ-KUHUBIRLSA-N 1 3 280.415 3.429 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677240035 543441414 /nfs/dbraw/zinc/44/14/14/543441414.db2.gz DMWOGQURYHCRNT-ROUUACIJSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677240035 543441415 /nfs/dbraw/zinc/44/14/15/543441415.db2.gz DMWOGQURYHCRNT-ROUUACIJSA-N 1 3 286.463 3.489 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678120903 543484819 /nfs/dbraw/zinc/48/48/19/543484819.db2.gz KUOGMSDUSKKFOT-OAHLLOKOSA-N 1 3 276.424 3.001 20 0 CGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678120903 543484822 /nfs/dbraw/zinc/48/48/22/543484822.db2.gz KUOGMSDUSKKFOT-OAHLLOKOSA-N 1 3 276.424 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000678119942 543485135 /nfs/dbraw/zinc/48/51/35/543485135.db2.gz HMMFGJPHDFXYJM-UHFFFAOYSA-N 1 3 276.424 3.003 20 0 CGADHO CCC[C@H](C)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678141217 543487559 /nfs/dbraw/zinc/48/75/59/543487559.db2.gz SDSWEWJUGIDHAH-HNNXBMFYSA-N 1 3 278.440 3.247 20 0 CGADHO CCC[C@H](C)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678141217 543487560 /nfs/dbraw/zinc/48/75/60/543487560.db2.gz SDSWEWJUGIDHAH-HNNXBMFYSA-N 1 3 278.440 3.247 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000678077542 543481859 /nfs/dbraw/zinc/48/18/59/543481859.db2.gz UQZBGHKKPSVCRD-FUHWJXTLSA-N 1 3 272.436 3.480 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1CC[C@@H]1CCC[N@H+]1C ZINC000678077542 543481860 /nfs/dbraw/zinc/48/18/60/543481860.db2.gz UQZBGHKKPSVCRD-FUHWJXTLSA-N 1 3 272.436 3.480 20 0 CGADHO Cc1cccc(C)c1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678598180 543540811 /nfs/dbraw/zinc/54/08/11/543540811.db2.gz CBMGBOYZICMRIC-IRXDYDNUSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cccc(C)c1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678598180 543540813 /nfs/dbraw/zinc/54/08/13/543540813.db2.gz CBMGBOYZICMRIC-IRXDYDNUSA-N 1 3 272.436 3.062 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000678772158 543555535 /nfs/dbraw/zinc/55/55/35/543555535.db2.gz HGLSRHMRQFDMQA-AEFFLSMTSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000414939748 297108219 /nfs/dbraw/zinc/10/82/19/297108219.db2.gz JNEUIXLALRGTEQ-BVBHFADKSA-N 1 3 286.463 3.376 20 0 CGADHO COCC1(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CCCC1 ZINC000423157436 292249178 /nfs/dbraw/zinc/24/91/78/292249178.db2.gz BAVLZFJOFCLPDG-HZPDHXFCSA-N 1 3 282.472 3.094 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC1)C1CCCCC1 ZINC000052338512 286936531 /nfs/dbraw/zinc/93/65/31/286936531.db2.gz CYLMRMVKWOJIIM-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000449438784 287014223 /nfs/dbraw/zinc/01/42/23/287014223.db2.gz DYDAXLFWEGVKJR-VBQJREDUSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccncc1F ZINC000340465705 287022518 /nfs/dbraw/zinc/02/25/18/287022518.db2.gz SIQMBVMPJYVWPE-OAHLLOKOSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cncs1 ZINC000359932817 287022945 /nfs/dbraw/zinc/02/29/45/287022945.db2.gz HIIDCQPZJRTKCK-UONOGXRCSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cncs1 ZINC000359932817 287022946 /nfs/dbraw/zinc/02/29/46/287022946.db2.gz HIIDCQPZJRTKCK-UONOGXRCSA-N 1 3 281.469 3.306 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN(CC)CC)C12CCCC2 ZINC000085678013 165182563 /nfs/dbraw/zinc/18/25/63/165182563.db2.gz SJMDBAFAAYJPLO-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[NH+](CC)CC)C12CCCC2 ZINC000085678013 165182567 /nfs/dbraw/zinc/18/25/67/165182567.db2.gz SJMDBAFAAYJPLO-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093211244 165326654 /nfs/dbraw/zinc/32/66/54/165326654.db2.gz YQQJVOSLGNVYQJ-CWRNSKLLSA-N 1 3 276.424 3.394 20 0 CGADHO CCC(CC)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066977 287110505 /nfs/dbraw/zinc/11/05/05/287110505.db2.gz RJJPMMLKEPSRDP-NVXWUHKLSA-N 1 3 264.457 3.371 20 0 CGADHO CCC(CC)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066977 287110507 /nfs/dbraw/zinc/11/05/07/287110507.db2.gz RJJPMMLKEPSRDP-NVXWUHKLSA-N 1 3 264.457 3.371 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769911 287119225 /nfs/dbraw/zinc/11/92/25/287119225.db2.gz VMKZVGIPGJYYAP-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769911 287119229 /nfs/dbraw/zinc/11/92/29/287119229.db2.gz VMKZVGIPGJYYAP-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)CN1CCCC1 ZINC000300128686 289697652 /nfs/dbraw/zinc/69/76/52/289697652.db2.gz BWWWSSYJFVZFIV-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC(Cc2ccccc2)CC1 ZINC000124637108 287235749 /nfs/dbraw/zinc/23/57/49/287235749.db2.gz HFXJKVXJHVQNBF-IBGZPJMESA-N 1 3 286.463 3.425 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC(Cc2ccccc2)CC1 ZINC000124637108 287235750 /nfs/dbraw/zinc/23/57/50/287235750.db2.gz HFXJKVXJHVQNBF-IBGZPJMESA-N 1 3 286.463 3.425 20 0 CGADHO CCN(CC)CCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000020567358 171255246 /nfs/dbraw/zinc/25/52/46/171255246.db2.gz BVDYPAMYQGSIDK-UHFFFAOYSA-N 1 3 262.441 3.433 20 0 CGADHO CC[C@H]([NH2+]C1CCNCC1)c1ccc(Br)cc1 ZINC000038041060 174041116 /nfs/dbraw/zinc/04/11/16/174041116.db2.gz RTUAXDTWHIRIIG-AWEZNQCLSA-N 1 3 297.240 3.242 20 0 CGADHO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000226438307 416521565 /nfs/dbraw/zinc/52/15/65/416521565.db2.gz VAOZEADIJPKRRH-WBVHZDCISA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226438307 416521569 /nfs/dbraw/zinc/52/15/69/416521569.db2.gz VAOZEADIJPKRRH-WBVHZDCISA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@@H](c1ccccc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226438307 416521574 /nfs/dbraw/zinc/52/15/74/416521574.db2.gz VAOZEADIJPKRRH-WBVHZDCISA-N 1 3 260.425 3.315 20 0 CGADHO C(CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814414 416536643 /nfs/dbraw/zinc/53/66/43/416536643.db2.gz SEIWGASVYRLTGF-MSOLQXFVSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@]1(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000679043454 543586268 /nfs/dbraw/zinc/58/62/68/543586268.db2.gz IJOZBKJDTXZRNZ-LMMKCTJWSA-N 1 3 284.447 3.455 20 0 CGADHO C[C@]1(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000679043454 543586270 /nfs/dbraw/zinc/58/62/70/543586270.db2.gz IJOZBKJDTXZRNZ-LMMKCTJWSA-N 1 3 284.447 3.455 20 0 CGADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000130252534 287349111 /nfs/dbraw/zinc/34/91/11/287349111.db2.gz YXOKYHCBHWKZMW-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679722219 543658703 /nfs/dbraw/zinc/65/87/03/543658703.db2.gz ZNEGMWSZZOKIJE-OKZBNKHCSA-N 1 3 272.436 3.285 20 0 CGADHO CCCC[C@@H](COC)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000130648892 287360259 /nfs/dbraw/zinc/36/02/59/287360259.db2.gz CTPVZATYYPBWEH-KRWDZBQOSA-N 1 3 278.440 3.043 20 0 CGADHO CC(C)C(C)(C)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000682087424 543825148 /nfs/dbraw/zinc/82/51/48/543825148.db2.gz DOCPTIDNJAFYLS-UHFFFAOYSA-N 1 3 292.467 3.399 20 0 CGADHO C[C@H](Cc1cccs1)NC1CC([NH+]2CCCCC2)C1 ZINC000684425831 543998472 /nfs/dbraw/zinc/99/84/72/543998472.db2.gz VSBDVQALFGEKHQ-WLYUNCDWSA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471204 544079275 /nfs/dbraw/zinc/07/92/75/544079275.db2.gz XAXRCKSJVZUJDD-RDJZCZTQSA-N 1 3 290.451 3.390 20 0 CGADHO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471204 544079276 /nfs/dbraw/zinc/07/92/76/544079276.db2.gz XAXRCKSJVZUJDD-RDJZCZTQSA-N 1 3 290.451 3.390 20 0 CGADHO Cc1ccc(F)c(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000355033987 227330322 /nfs/dbraw/zinc/33/03/22/227330322.db2.gz DNQIRIIOULJUND-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1ccc(F)c(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000355033987 227330333 /nfs/dbraw/zinc/33/03/33/227330333.db2.gz DNQIRIIOULJUND-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@@H]1CCCN(CCCCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000652356273 418957090 /nfs/dbraw/zinc/95/70/90/418957090.db2.gz ZEJZSPJGCYLMGG-VXGBXAGGSA-N 1 3 266.351 3.168 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924081 419033093 /nfs/dbraw/zinc/03/30/93/419033093.db2.gz BDWVPISYCAYNJR-ZDUSSCGKSA-N 1 3 298.883 3.316 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924081 419033096 /nfs/dbraw/zinc/03/30/96/419033096.db2.gz BDWVPISYCAYNJR-ZDUSSCGKSA-N 1 3 298.883 3.316 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237437 419088664 /nfs/dbraw/zinc/08/86/64/419088664.db2.gz AUTSWJKFUOVVCM-HUUCEWRRSA-N 1 3 272.417 3.385 20 0 CGADHO Cc1cc(C)cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665245668 419090095 /nfs/dbraw/zinc/09/00/95/419090095.db2.gz OXLGMJVVJXNBLT-KZNAEPCWSA-N 1 3 272.436 3.314 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1C ZINC000665246966 419091288 /nfs/dbraw/zinc/09/12/88/419091288.db2.gz SCMDPKFHNCQWKF-GUDVDZBRSA-N 1 3 286.463 3.356 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665249055 419091964 /nfs/dbraw/zinc/09/19/64/419091964.db2.gz INLGHKITZJVRQK-OAHLLOKOSA-N 1 3 258.409 3.270 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(F)cc1 ZINC000665250342 419092684 /nfs/dbraw/zinc/09/26/84/419092684.db2.gz OOUVXDYAZAGEQW-AWEZNQCLSA-N 1 3 250.361 3.138 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263996 419097117 /nfs/dbraw/zinc/09/71/17/419097117.db2.gz ZSVMDQQNDXYCEJ-CJNLHWCBSA-N 1 3 276.468 3.323 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665271337 419098759 /nfs/dbraw/zinc/09/87/59/419098759.db2.gz LDLKLKSHDCHKHW-MANSERQUSA-N 1 3 299.462 3.157 20 0 CGADHO C[C@@H](NC1CCC2(CC2(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000665274176 419098827 /nfs/dbraw/zinc/09/88/27/419098827.db2.gz LHJGHOXKGYVBER-ZIHBUVQPSA-N 1 3 272.383 3.075 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000655804260 419100342 /nfs/dbraw/zinc/10/03/42/419100342.db2.gz REMWFPCBKQUDKJ-SUZMYJTESA-N 1 3 298.352 3.021 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000665279951 419102040 /nfs/dbraw/zinc/10/20/40/419102040.db2.gz PZWMDDNWQBXTJE-SMDDNHRTSA-N 1 3 286.366 3.312 20 0 CGADHO c1coc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665282968 419102723 /nfs/dbraw/zinc/10/27/23/419102723.db2.gz FMFZHOZMWNBLSO-GVDBMIGSSA-N 1 3 276.424 3.113 20 0 CGADHO c1coc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)c1 ZINC000665282968 419102727 /nfs/dbraw/zinc/10/27/27/419102727.db2.gz FMFZHOZMWNBLSO-GVDBMIGSSA-N 1 3 276.424 3.113 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000665281584 419103256 /nfs/dbraw/zinc/10/32/56/419103256.db2.gz HEJWRMGSJGIDNP-IXDOHACOSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000665281584 419103260 /nfs/dbraw/zinc/10/32/60/419103260.db2.gz HEJWRMGSJGIDNP-IXDOHACOSA-N 1 3 260.425 3.286 20 0 CGADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000665298199 419110807 /nfs/dbraw/zinc/11/08/07/419110807.db2.gz TYKBKWHLLWILSI-NOLJZWGESA-N 1 3 280.843 3.249 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000655718284 419075277 /nfs/dbraw/zinc/07/52/77/419075277.db2.gz IEIBEDAEOUARIR-HIFRSBDPSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)CS1 ZINC000655718284 419075279 /nfs/dbraw/zinc/07/52/79/419075279.db2.gz IEIBEDAEOUARIR-HIFRSBDPSA-N 1 3 282.497 3.267 20 0 CGADHO Cc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000655939793 419129189 /nfs/dbraw/zinc/12/91/89/419129189.db2.gz UIBKOCBSOXCVSG-OAHLLOKOSA-N 1 3 292.854 3.470 20 0 CGADHO C(C1CCCC1)[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000655948710 419129303 /nfs/dbraw/zinc/12/93/03/419129303.db2.gz AGFLKZUVHCSBFO-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000655948710 419129307 /nfs/dbraw/zinc/12/93/07/419129307.db2.gz AGFLKZUVHCSBFO-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000656197330 419148159 /nfs/dbraw/zinc/14/81/59/419148159.db2.gz ZLMSSXXKVFGJHQ-SJORKVTESA-N 1 3 272.436 3.358 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c(C)s1 ZINC000660653822 419176491 /nfs/dbraw/zinc/17/64/91/419176491.db2.gz BKPPWUUXVIUGHQ-INIZCTEOSA-N 1 3 278.465 3.283 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c(C)s1 ZINC000660653822 419176494 /nfs/dbraw/zinc/17/64/94/419176494.db2.gz BKPPWUUXVIUGHQ-INIZCTEOSA-N 1 3 278.465 3.283 20 0 CGADHO Cc1ccc(CCCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660665604 419180093 /nfs/dbraw/zinc/18/00/93/419180093.db2.gz WTRKPFLSQFYTJJ-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CCCN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660665604 419180094 /nfs/dbraw/zinc/18/00/94/419180094.db2.gz WTRKPFLSQFYTJJ-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc(C(C)C)ccc2OC)CC1 ZINC000655937593 419127264 /nfs/dbraw/zinc/12/72/64/419127264.db2.gz BTDSBSLWTVFRLA-UHFFFAOYSA-N 1 3 290.451 3.250 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657324910 419250968 /nfs/dbraw/zinc/25/09/68/419250968.db2.gz HQHXNLNLTXCHOG-ZDUSSCGKSA-N 1 3 289.448 3.118 20 0 CGADHO C(=C\c1ccccc1)\CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786660 419219181 /nfs/dbraw/zinc/21/91/81/419219181.db2.gz VUJRQJBLWJIQBC-NVAPOSRTSA-N 1 3 284.447 3.411 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H](C)C[C@H]1CCC[NH2+]1)[C@@H](C)C2 ZINC000656791704 419220536 /nfs/dbraw/zinc/22/05/36/419220536.db2.gz JGMBCJTXZJVNKA-GARXJVFOSA-N 1 3 272.436 3.349 20 0 CGADHO C[C@H](CCc1ccccc1F)NCC1([NH3+])CCCC1 ZINC000656789136 419220628 /nfs/dbraw/zinc/22/06/28/419220628.db2.gz KLZQIPQOMNKEGY-CYBMUJFWSA-N 1 3 264.388 3.008 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)C2 ZINC000656792472 419221699 /nfs/dbraw/zinc/22/16/99/419221699.db2.gz RHQXZPRRDLCOFW-JWDQPFGJSA-N 1 3 258.409 3.088 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000657626334 419316561 /nfs/dbraw/zinc/31/65/61/419316561.db2.gz JMGOTMBFUWFCOZ-ZWKOTPCHSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000657626334 419316563 /nfs/dbraw/zinc/31/65/63/419316563.db2.gz JMGOTMBFUWFCOZ-ZWKOTPCHSA-N 1 3 272.436 3.062 20 0 CGADHO FC1(F)CC12CCC([NH2+][C@H]1CCN3CCC[C@H]3C1)CC2 ZINC000657716419 419332615 /nfs/dbraw/zinc/33/26/15/419332615.db2.gz IOUDKLPTCIMDNF-GQKFXUNGSA-N 1 3 284.394 3.171 20 0 CGADHO CCOC1CCC([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000657874040 419399269 /nfs/dbraw/zinc/39/92/69/419399269.db2.gz XWQIVUDIQGZVOX-KLAILNCOSA-N 1 3 282.472 3.044 20 0 CGADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662245652 419373349 /nfs/dbraw/zinc/37/33/49/419373349.db2.gz NHIJZWJIJQNGHT-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO CNC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662245652 419373352 /nfs/dbraw/zinc/37/33/52/419373352.db2.gz NHIJZWJIJQNGHT-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO CN(C[C@@H]1CCCCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263866 419375742 /nfs/dbraw/zinc/37/57/42/419375742.db2.gz FZLFAYUUNXZFOG-LSVZVQIISA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264363 419376336 /nfs/dbraw/zinc/37/63/36/419376336.db2.gz JGRFYSUQAQETKP-BVIKNXMNSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264363 419376342 /nfs/dbraw/zinc/37/63/42/419376342.db2.gz JGRFYSUQAQETKP-BVIKNXMNSA-N 1 3 272.436 3.239 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCCC2(C)C)CC[C@@H]1N ZINC000662271258 419380367 /nfs/dbraw/zinc/38/03/67/419380367.db2.gz UTHCSDDIPUXNNH-ILXRZTDVSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@@H]1N ZINC000662271258 419380371 /nfs/dbraw/zinc/38/03/71/419380371.db2.gz UTHCSDDIPUXNNH-ILXRZTDVSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657932990 419447699 /nfs/dbraw/zinc/44/76/99/419447699.db2.gz YFAXUAOUIHQMLZ-HOTGVXAUSA-N 1 3 284.513 3.230 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H](N)C(C)C ZINC000663502444 419635174 /nfs/dbraw/zinc/63/51/74/419635174.db2.gz JBIVDUATPNQDHF-DLBZAZTESA-N 1 3 262.441 3.361 20 0 CGADHO CCC[C@@H](Cc1ccccc1)NCC[C@@H]([NH3+])C(C)C ZINC000663502444 419635178 /nfs/dbraw/zinc/63/51/78/419635178.db2.gz JBIVDUATPNQDHF-DLBZAZTESA-N 1 3 262.441 3.361 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1ccc2ccccc2c1 ZINC000663497500 419636183 /nfs/dbraw/zinc/63/61/83/419636183.db2.gz AVBIIPPRSNQRJE-QGZVFWFLSA-N 1 3 256.393 3.303 20 0 CGADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CC=CCC1 ZINC000663693899 419682848 /nfs/dbraw/zinc/68/28/48/419682848.db2.gz FWGCQPMKZGHLDK-UHFFFAOYSA-N 1 3 270.420 3.434 20 0 CGADHO c1ccc2c(c1)CC(N[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000658227295 419686402 /nfs/dbraw/zinc/68/64/02/419686402.db2.gz UJXRIOOZNNFBAD-KRWDZBQOSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CC(N[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000658227295 419686408 /nfs/dbraw/zinc/68/64/08/419686408.db2.gz UJXRIOOZNNFBAD-KRWDZBQOSA-N 1 3 284.447 3.150 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000663504078 419642005 /nfs/dbraw/zinc/64/20/05/419642005.db2.gz VUAPKMBJTLWNOL-KURKYZTESA-N 1 3 274.452 3.361 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nccc2[nH]ccc21 ZINC000663578293 419652262 /nfs/dbraw/zinc/65/22/62/419652262.db2.gz XSDIARXNUORLIR-BETUJISGSA-N 1 3 272.396 3.238 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nccc2[nH]ccc21 ZINC000663578293 419652269 /nfs/dbraw/zinc/65/22/69/419652269.db2.gz XSDIARXNUORLIR-BETUJISGSA-N 1 3 272.396 3.238 20 0 CGADHO CCCC[N@H+](C)C[C@@H](C)Nc1nccc2[nH]ccc21 ZINC000663916895 419755423 /nfs/dbraw/zinc/75/54/23/419755423.db2.gz AIVUJMBZDNPPOV-GFCCVEGCSA-N 1 3 260.385 3.095 20 0 CGADHO CCCC[N@@H+](C)C[C@@H](C)Nc1nccc2[nH]ccc21 ZINC000663916895 419755429 /nfs/dbraw/zinc/75/54/29/419755429.db2.gz AIVUJMBZDNPPOV-GFCCVEGCSA-N 1 3 260.385 3.095 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390586577 262223387 /nfs/dbraw/zinc/22/33/87/262223387.db2.gz NJNDVCSFRVRXKP-MSOLQXFVSA-N 1 3 290.451 3.091 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997009 270028299 /nfs/dbraw/zinc/02/82/99/270028299.db2.gz PNCSVKYGZHFYCK-CSODTCANSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997009 270028300 /nfs/dbraw/zinc/02/83/00/270028300.db2.gz PNCSVKYGZHFYCK-CSODTCANSA-N 1 3 284.447 3.457 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534786 270036674 /nfs/dbraw/zinc/03/66/74/270036674.db2.gz JCJGFEBQUXROGV-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534786 270036676 /nfs/dbraw/zinc/03/66/76/270036676.db2.gz JCJGFEBQUXROGV-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000105457426 270047624 /nfs/dbraw/zinc/04/76/24/270047624.db2.gz AYRBKLLJTZTGAQ-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CN(C)CC[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)(C)C ZINC000522557889 270106703 /nfs/dbraw/zinc/10/67/03/270106703.db2.gz KWFBVWKLRJVOGD-MRXNPFEDSA-N 1 3 288.439 3.019 20 0 CGADHO CN(C)CC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)(C)C ZINC000522557889 270106704 /nfs/dbraw/zinc/10/67/04/270106704.db2.gz KWFBVWKLRJVOGD-MRXNPFEDSA-N 1 3 288.439 3.019 20 0 CGADHO FC1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000525987634 270121853 /nfs/dbraw/zinc/12/18/53/270121853.db2.gz KCMGFDVJSDYCNH-UHFFFAOYSA-N 1 3 282.428 3.052 20 0 CGADHO C[C@@H](C[NH2+]CCCN1CCCCC1)c1ccc(F)cc1 ZINC000527116790 270125752 /nfs/dbraw/zinc/12/57/52/270125752.db2.gz FBHXSOLMLIUKLQ-HNNXBMFYSA-N 1 3 278.415 3.395 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CC12CC2 ZINC000527861816 270140367 /nfs/dbraw/zinc/14/03/67/270140367.db2.gz DCZBTRDSJQBQEL-WMLDXEAASA-N 1 3 285.435 3.076 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527861051 270140387 /nfs/dbraw/zinc/14/03/87/270140387.db2.gz XAQPFXBUQHVTHU-UHOSZYNNSA-N 1 3 298.474 3.329 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845129 270139230 /nfs/dbraw/zinc/13/92/30/270139230.db2.gz BXDYLXGDPJKNIU-MEDUHNTESA-N 1 3 296.817 3.398 20 0 CGADHO C1=CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000527949590 270146431 /nfs/dbraw/zinc/14/64/31/270146431.db2.gz OGTKRVBMWNRLIE-SLFFLAALSA-N 1 3 296.458 3.453 20 0 CGADHO C1=CCC(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000527950364 270146600 /nfs/dbraw/zinc/14/66/00/270146600.db2.gz OGTKRVBMWNRLIE-XUVXKRRUSA-N 1 3 296.458 3.453 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530216883 270195901 /nfs/dbraw/zinc/19/59/01/270195901.db2.gz QSOKIHPMNPQIQM-IRXDYDNUSA-N 1 3 272.436 3.128 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCCC1 ZINC000530219360 270196292 /nfs/dbraw/zinc/19/62/92/270196292.db2.gz LLHFWVJVJZKKFV-LSDHHAIUSA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000530219360 270196293 /nfs/dbraw/zinc/19/62/93/270196293.db2.gz LLHFWVJVJZKKFV-LSDHHAIUSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000530221244 270196369 /nfs/dbraw/zinc/19/63/69/270196369.db2.gz OMZDAZBLIVRBJQ-RULNRJAQSA-N 1 3 252.789 3.043 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000530222350 270196413 /nfs/dbraw/zinc/19/64/13/270196413.db2.gz ZMFOLFCOPQQXHV-RYUDHWBXSA-N 1 3 262.388 3.165 20 0 CGADHO FC(F)(F)c1cccc2c1CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000530232802 270196782 /nfs/dbraw/zinc/19/67/82/270196782.db2.gz BDSKMJKRFCOONX-GFCCVEGCSA-N 1 3 298.352 3.063 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNC12CCC2)c1ccccc1 ZINC000530245390 270197352 /nfs/dbraw/zinc/19/73/52/270197352.db2.gz XGSRCQHWHOPBJC-DLBZAZTESA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)C[C@H](NCCC[NH3+])c2cc(Br)ccc21 ZINC000423197518 273589133 /nfs/dbraw/zinc/58/91/33/273589133.db2.gz ZRVHPROFLQIURL-ZDUSSCGKSA-N 1 3 297.240 3.110 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000132235027 274240783 /nfs/dbraw/zinc/24/07/83/274240783.db2.gz JYYBJENSKNJXOG-KGLIPLIRSA-N 1 3 278.399 3.426 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423051326 274948131 /nfs/dbraw/zinc/94/81/31/274948131.db2.gz NPHBDZYBAWLUJK-XSLAGTTESA-N 1 3 288.435 3.014 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000423377689 274957748 /nfs/dbraw/zinc/95/77/48/274957748.db2.gz WCUCCSQRGWGVHC-YVSFHVDLSA-N 1 3 258.409 3.182 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2c(c1)NCCC2 ZINC000415044757 275064472 /nfs/dbraw/zinc/06/44/72/275064472.db2.gz XQLRTIKREFPEQC-QXAKKESOSA-N 1 3 299.462 3.055 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2NC[C@H]1CCC[NH2+]C1 ZINC000423219418 275069553 /nfs/dbraw/zinc/06/95/53/275069553.db2.gz WOUBHFNOCMEWIO-WMLDXEAASA-N 1 3 258.409 3.043 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCCNC1 ZINC000423219418 275069554 /nfs/dbraw/zinc/06/95/54/275069554.db2.gz WOUBHFNOCMEWIO-WMLDXEAASA-N 1 3 258.409 3.043 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CCCCC1 ZINC000251588832 275726289 /nfs/dbraw/zinc/72/62/89/275726289.db2.gz ZDSXIMNNTYIIIP-GVDBMIGSSA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)C[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037260370 275911782 /nfs/dbraw/zinc/91/17/82/275911782.db2.gz VQKYDEYQFYNREL-AWEZNQCLSA-N 1 3 261.413 3.075 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316671 276073304 /nfs/dbraw/zinc/07/33/04/276073304.db2.gz RPOUDGRFPKORLR-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316671 276073306 /nfs/dbraw/zinc/07/33/06/276073306.db2.gz RPOUDGRFPKORLR-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316671 276073307 /nfs/dbraw/zinc/07/33/07/276073307.db2.gz RPOUDGRFPKORLR-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338316671 276073309 /nfs/dbraw/zinc/07/33/09/276073309.db2.gz RPOUDGRFPKORLR-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000422940284 276118075 /nfs/dbraw/zinc/11/80/75/276118075.db2.gz GTZZOOHSRGCPEQ-INIZCTEOSA-N 1 3 258.409 3.141 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000346450459 276771855 /nfs/dbraw/zinc/77/18/55/276771855.db2.gz VXACCVSCDSQEEF-MRXNPFEDSA-N 1 3 260.425 3.417 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000414329126 277218523 /nfs/dbraw/zinc/21/85/23/277218523.db2.gz IBIANBUDUSQERA-LVQVYYBASA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000414329126 277218524 /nfs/dbraw/zinc/21/85/24/277218524.db2.gz IBIANBUDUSQERA-LVQVYYBASA-N 1 3 294.483 3.185 20 0 CGADHO COC[C@@H](CC(C)C)NCCC[N@H+](C)C1CCCCC1 ZINC000480255185 277245408 /nfs/dbraw/zinc/24/54/08/277245408.db2.gz XZGWIEHWRAUCSN-MRXNPFEDSA-N 1 3 284.488 3.292 20 0 CGADHO COC[C@@H](CC(C)C)NCCC[N@@H+](C)C1CCCCC1 ZINC000480255185 277245410 /nfs/dbraw/zinc/24/54/10/277245410.db2.gz XZGWIEHWRAUCSN-MRXNPFEDSA-N 1 3 284.488 3.292 20 0 CGADHO COC[C@@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCCC1 ZINC000446940264 277248161 /nfs/dbraw/zinc/24/81/61/277248161.db2.gz DSQWCRZUFVRKHA-SJLPKXTDSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCCC1 ZINC000446940264 277248162 /nfs/dbraw/zinc/24/81/62/277248162.db2.gz DSQWCRZUFVRKHA-SJLPKXTDSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940264 277248164 /nfs/dbraw/zinc/24/81/64/277248164.db2.gz DSQWCRZUFVRKHA-SJLPKXTDSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000414809898 277341501 /nfs/dbraw/zinc/34/15/01/277341501.db2.gz UUFPQHATYVMSQL-KNIAUWFNSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@@H]([C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCCC1 ZINC000423371564 277645808 /nfs/dbraw/zinc/64/58/08/277645808.db2.gz GPFIDCFEHWXOEV-WMHQRMGPSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)CN1CCCCC1 ZINC000510724607 278211001 /nfs/dbraw/zinc/21/10/01/278211001.db2.gz YZPNTRWMBRIJCH-OIISXLGYSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)CN(C)C ZINC000311834572 278286463 /nfs/dbraw/zinc/28/64/63/278286463.db2.gz POQSJWLHTOKTOR-YOEHRIQHSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@@H](CN[C@H]1CCCCc2ccccc21)C[NH+](C)C ZINC000311834572 278286464 /nfs/dbraw/zinc/28/64/64/278286464.db2.gz POQSJWLHTOKTOR-YOEHRIQHSA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC1(C)C ZINC000397836782 288032107 /nfs/dbraw/zinc/03/21/07/288032107.db2.gz SRTLVSJPOPCJAX-LSDHHAIUSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C1CC2(CCC2)C1 ZINC000448056597 278332317 /nfs/dbraw/zinc/33/23/17/278332317.db2.gz PBFPJUXAABMCSJ-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)C[C@@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000422987150 278369933 /nfs/dbraw/zinc/36/99/33/278369933.db2.gz FMDNZJJGBFJSCM-CZUORRHYSA-N 1 3 258.409 3.141 20 0 CGADHO CC1=CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000336359247 278503781 /nfs/dbraw/zinc/50/37/81/278503781.db2.gz KNWPFMGLQSPDRF-HNNXBMFYSA-N 1 3 262.441 3.482 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422819042 278562123 /nfs/dbraw/zinc/56/21/23/278562123.db2.gz MCRNMDMAONEAEI-SYQHCUMBSA-N 1 3 292.389 3.333 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@@H]3CCNCC[C@@H]3C)cn(C)c2c1 ZINC000423055118 288063087 /nfs/dbraw/zinc/06/30/87/288063087.db2.gz CRSRLNMPAIUIDV-MAUKXSAKSA-N 1 3 299.462 3.007 20 0 CGADHO CC[C@H]([NH2+][C@H](C)CCN(C)C)c1ccccc1F ZINC000163828570 288076792 /nfs/dbraw/zinc/07/67/92/288076792.db2.gz IXGIAUNZXBYXFE-DOMZBBRYSA-N 1 3 252.377 3.207 20 0 CGADHO CCN(C[C@H]1CCC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000261573898 279230648 /nfs/dbraw/zinc/23/06/48/279230648.db2.gz WEIAPWBSQPCNCQ-KGLIPLIRSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCc2ccccc21)CN1CCCCC1 ZINC000038041791 279354483 /nfs/dbraw/zinc/35/44/83/279354483.db2.gz VEROZPDJAQSQDH-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2c1cccc2Cl ZINC000422931186 279402212 /nfs/dbraw/zinc/40/22/12/279402212.db2.gz AXUFZSXXRGGQTA-PKFCDNJMSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C[C@@H](C)O1 ZINC000337996598 288160805 /nfs/dbraw/zinc/16/08/05/288160805.db2.gz KQESNHVQOPUXME-JOCBIADPSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NCCC[NH+]1CCCCC1 ZINC000480165954 280035890 /nfs/dbraw/zinc/03/58/90/280035890.db2.gz ODQRHOUMUGSLFO-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H]1c2cc(F)cc(F)c2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420301971 280123364 /nfs/dbraw/zinc/12/33/64/280123364.db2.gz LSEWHNBGSMWUMQ-STQMWFEESA-N 1 3 294.389 3.274 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000251461040 280829567 /nfs/dbraw/zinc/82/95/67/280829567.db2.gz HJGPMGQOBSVQME-GVDBMIGSSA-N 1 3 258.409 3.005 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCCC1(C)C ZINC000530209383 288299940 /nfs/dbraw/zinc/29/99/40/288299940.db2.gz JESWFFQSEFLPJA-RBSFLKMASA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530209414 288300137 /nfs/dbraw/zinc/30/01/37/288300137.db2.gz HKNXEOXTJIYCNT-BEFAXECRSA-N 1 3 286.463 3.159 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530176864 288294520 /nfs/dbraw/zinc/29/45/20/288294520.db2.gz DSOGJAIMPSVQOU-BBWFWOEESA-N 1 3 270.420 3.197 20 0 CGADHO CC1(C)CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530179841 288296759 /nfs/dbraw/zinc/29/67/59/288296759.db2.gz YCSRTYBJPWADLD-CQSZACIVSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc2nccc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000338739669 281171086 /nfs/dbraw/zinc/17/10/86/281171086.db2.gz CHPBPKCMRRTNBG-LJQANCHMSA-N 1 3 295.430 3.465 20 0 CGADHO Cc1ccc2nccc(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000338739669 281171088 /nfs/dbraw/zinc/17/10/88/281171088.db2.gz CHPBPKCMRRTNBG-LJQANCHMSA-N 1 3 295.430 3.465 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423531069 281270742 /nfs/dbraw/zinc/27/07/42/281270742.db2.gz QCLPXKMUPQCGJG-IRXDYDNUSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccccc1[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649281 281355899 /nfs/dbraw/zinc/35/58/99/281355899.db2.gz GGQIDZCHARMEJX-CABCVRRESA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccccc1[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649281 281355900 /nfs/dbraw/zinc/35/59/00/281355900.db2.gz GGQIDZCHARMEJX-CABCVRRESA-N 1 3 258.409 3.130 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000543404031 288800789 /nfs/dbraw/zinc/80/07/89/288800789.db2.gz YDJYCWRNHSEXFI-FCCDEINASA-N 1 3 296.499 3.434 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000554657988 289298601 /nfs/dbraw/zinc/29/86/01/289298601.db2.gz MOOWNBLNOPBGST-BBWFWOEESA-N 1 3 258.409 3.026 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000280885909 289304349 /nfs/dbraw/zinc/30/43/49/289304349.db2.gz OPZUOJPERPSFRZ-KZNAEPCWSA-N 1 3 287.451 3.385 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423029720 289729233 /nfs/dbraw/zinc/72/92/33/289729233.db2.gz VFFLBZJWIZADPU-QZWWFDLISA-N 1 3 296.499 3.481 20 0 CGADHO Cn1cccc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000163210533 294385756 /nfs/dbraw/zinc/38/57/56/294385756.db2.gz FBJOMWPANXAUBR-RDJZCZTQSA-N 1 3 275.440 3.036 20 0 CGADHO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000163210533 294385757 /nfs/dbraw/zinc/38/57/57/294385757.db2.gz FBJOMWPANXAUBR-RDJZCZTQSA-N 1 3 275.440 3.036 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000414876559 295209026 /nfs/dbraw/zinc/20/90/26/295209026.db2.gz LONGPYYMADXOJV-DZGCQCFKSA-N 1 3 278.827 3.447 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000420304251 295241032 /nfs/dbraw/zinc/24/10/32/295241032.db2.gz LJNNLRQLXTVARW-JZXOWHBKSA-N 1 3 288.435 3.002 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000420304251 295241035 /nfs/dbraw/zinc/24/10/35/295241035.db2.gz LJNNLRQLXTVARW-JZXOWHBKSA-N 1 3 288.435 3.002 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313069734 297109679 /nfs/dbraw/zinc/10/96/79/297109679.db2.gz IJBSKUHSBMKIJH-RBSFLKMASA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC000423374955 297449160 /nfs/dbraw/zinc/44/91/60/297449160.db2.gz KHKRGFUJYSJANX-BGTYHANMSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423313030 298529710 /nfs/dbraw/zinc/52/97/10/298529710.db2.gz WHGQZYJSWQYRFT-CABCVRRESA-N 1 3 260.425 3.071 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423263569 302056022 /nfs/dbraw/zinc/05/60/22/302056022.db2.gz BBWZKFOAZKZHIS-COXVUDFISA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423263569 302056025 /nfs/dbraw/zinc/05/60/25/302056025.db2.gz BBWZKFOAZKZHIS-COXVUDFISA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423394414 302067136 /nfs/dbraw/zinc/06/71/36/302067136.db2.gz RKVBWYIPFYPVQM-KQTLUZQSSA-N 1 3 258.409 3.403 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423321075 302304639 /nfs/dbraw/zinc/30/46/39/302304639.db2.gz GBCAZZCPQPBVMQ-OCCSQVGLSA-N 1 3 252.427 3.097 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423321075 302304641 /nfs/dbraw/zinc/30/46/41/302304641.db2.gz GBCAZZCPQPBVMQ-OCCSQVGLSA-N 1 3 252.427 3.097 20 0 CGADHO NC1(C[NH2+][C@H]2CCCC23CCC3)C2CC3CC(C2)CC1C3 ZINC000423531607 303359876 /nfs/dbraw/zinc/35/98/76/303359876.db2.gz SXSVFYRUTPWYFT-MGMWPHTOSA-N 1 3 288.479 3.452 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423144457 303407364 /nfs/dbraw/zinc/40/73/64/303407364.db2.gz GYUCGYDRFUCNDD-HNHYXYPQSA-N 1 3 280.362 3.059 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCCc2ccccc2)C1 ZINC000563422739 321996778 /nfs/dbraw/zinc/99/67/78/321996778.db2.gz BEGWNMMWKLUTNN-IAGOWNOFSA-N 1 3 260.425 3.259 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC12CC2)CN1CCCC1 ZINC000563443362 321998598 /nfs/dbraw/zinc/99/85/98/321998598.db2.gz FPMGKCCNIHQJTN-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000568451012 322209385 /nfs/dbraw/zinc/20/93/85/322209385.db2.gz BYEDBKLNBQYMCQ-KCYZZUKISA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000568451012 322209387 /nfs/dbraw/zinc/20/93/87/322209387.db2.gz BYEDBKLNBQYMCQ-KCYZZUKISA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000571327769 322295913 /nfs/dbraw/zinc/29/59/13/322295913.db2.gz GJFKLKBZGGTULN-JKSUJKDBSA-N 1 3 252.446 3.441 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCc2cc(N)ccc21 ZINC000572857172 322358615 /nfs/dbraw/zinc/35/86/15/322358615.db2.gz OWDFAZHVLYTVSQ-RPVQJOFSSA-N 1 3 287.451 3.157 20 0 CGADHO CC(C)CC[C@@H]1CCCCN1C[C@]1(C)CC[NH2+]C1 ZINC000573249125 322377375 /nfs/dbraw/zinc/37/73/75/322377375.db2.gz VUGPYQWZUWWQJR-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2cc3ccccc3s2)C1 ZINC000573338822 322383276 /nfs/dbraw/zinc/38/32/76/322383276.db2.gz ZYGIJZOHQDMTFB-KGLIPLIRSA-N 1 3 274.433 3.303 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cc3ccccc3s2)C1 ZINC000573338822 322383279 /nfs/dbraw/zinc/38/32/79/322383279.db2.gz ZYGIJZOHQDMTFB-KGLIPLIRSA-N 1 3 274.433 3.303 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+]C[C@]2(C)CCCNC2)C1 ZINC000573693708 322401854 /nfs/dbraw/zinc/40/18/54/322401854.db2.gz BVPRJRKKFQUMSZ-GOEBONIOSA-N 1 3 252.446 3.182 20 0 CGADHO C1=C(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000379575137 330135109 /nfs/dbraw/zinc/13/51/09/330135109.db2.gz XLONEACCUKSRJC-YESZJQIVSA-N 1 3 262.441 3.387 20 0 CGADHO CCC[C@H](CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280089 335181831 /nfs/dbraw/zinc/18/18/31/335181831.db2.gz RNGUKTWPTVZLRN-QZTJIDSGSA-N 1 3 272.436 3.256 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)CCc1cccc(F)c1 ZINC000577094391 335298963 /nfs/dbraw/zinc/29/89/63/335298963.db2.gz BYBCOLWLPPCYEN-AWEZNQCLSA-N 1 3 266.404 3.125 20 0 CGADHO CC(C)NCCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000577094391 335298964 /nfs/dbraw/zinc/29/89/64/335298964.db2.gz BYBCOLWLPPCYEN-AWEZNQCLSA-N 1 3 266.404 3.125 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000577600776 335376213 /nfs/dbraw/zinc/37/62/13/335376213.db2.gz GTZAXEHXFDYOHW-USXIJHARSA-N 1 3 294.389 3.018 20 0 CGADHO CCCCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000578193362 335551919 /nfs/dbraw/zinc/55/19/19/335551919.db2.gz UESAREVFRGOIRT-UONOGXRCSA-N 1 3 264.413 3.081 20 0 CGADHO Nc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000581178729 336020098 /nfs/dbraw/zinc/02/00/98/336020098.db2.gz KEHMKNKDNFBXRM-IBGZPJMESA-N 1 3 299.462 3.110 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000385777652 336156405 /nfs/dbraw/zinc/15/64/05/336156405.db2.gz BSZIIUKUJMVIGV-SHWKFHJASA-N 1 3 270.486 3.015 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000581972964 336181286 /nfs/dbraw/zinc/18/12/86/336181286.db2.gz PYZIPOHIPDWIEN-USXIJHARSA-N 1 3 264.457 3.300 20 0 CGADHO C1[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000387223310 336188590 /nfs/dbraw/zinc/18/85/90/336188590.db2.gz ZVHFGENMTWYOMB-ZJIFWQFVSA-N 1 3 262.441 3.220 20 0 CGADHO C1[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C12CCCC2 ZINC000387223310 336188592 /nfs/dbraw/zinc/18/85/92/336188592.db2.gz ZVHFGENMTWYOMB-ZJIFWQFVSA-N 1 3 262.441 3.220 20 0 CGADHO CC(C)[NH+]1CCC(NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000387446179 336193945 /nfs/dbraw/zinc/19/39/45/336193945.db2.gz ZWNIURIZBRYNRK-KRWDZBQOSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423503709 533723508 /nfs/dbraw/zinc/72/35/08/533723508.db2.gz GDYYMSKEVGWJJR-VNQPRFMTSA-N 1 3 260.425 3.156 20 0 CGADHO COc1cccc2c(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cccc12 ZINC000449168803 533837533 /nfs/dbraw/zinc/83/75/33/533837533.db2.gz FKKQQMYFAYTNEJ-GOEBONIOSA-N 1 3 298.430 3.421 20 0 CGADHO COc1cccc2c(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cccc12 ZINC000449168803 533837543 /nfs/dbraw/zinc/83/75/43/533837543.db2.gz FKKQQMYFAYTNEJ-GOEBONIOSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423246047 533865930 /nfs/dbraw/zinc/86/59/30/533865930.db2.gz JRVNQHAWYQCBLC-NWDGAFQWSA-N 1 3 297.240 3.099 20 0 CGADHO C[C@H](NC[C@@H]([NH3+])C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423314857 533879780 /nfs/dbraw/zinc/87/97/80/533879780.db2.gz HZFSMSPPQOERPK-JRPNMDOOSA-N 1 3 266.816 3.159 20 0 CGADHO CS[C@H]1CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358768237 534114888 /nfs/dbraw/zinc/11/48/88/534114888.db2.gz GCWYCYZHGUPPKH-CVEARBPZSA-N 1 3 282.497 3.267 20 0 CGADHO CS[C@H]1CC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358768237 534114901 /nfs/dbraw/zinc/11/49/01/534114901.db2.gz GCWYCYZHGUPPKH-CVEARBPZSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424369694 534208690 /nfs/dbraw/zinc/20/86/90/534208690.db2.gz CBXVKUFDPHEZBG-DRPJVOAASA-N 1 3 250.430 3.075 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)C(C)C ZINC000423058491 534350574 /nfs/dbraw/zinc/35/05/74/534350574.db2.gz JORHYNCOXKROMB-GFCCVEGCSA-N 1 3 263.429 3.182 20 0 CGADHO Cc1ccncc1[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423292455 534428427 /nfs/dbraw/zinc/42/84/27/534428427.db2.gz NCQDRLIWPLXYRQ-KBPBESRZSA-N 1 3 269.392 3.261 20 0 CGADHO Cc1ccc2cc([C@H](C)NCC3=CC[NH2+]CC3)oc2c1 ZINC000423338952 534474952 /nfs/dbraw/zinc/47/49/52/534474952.db2.gz BCTJSEJAFGHNMQ-ZDUSSCGKSA-N 1 3 270.376 3.312 20 0 CGADHO c1cc2cccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)c2o1 ZINC000449072987 534475908 /nfs/dbraw/zinc/47/59/08/534475908.db2.gz HCWUJERPGSITSN-CYBMUJFWSA-N 1 3 270.376 3.007 20 0 CGADHO NCCC[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000437774861 534616012 /nfs/dbraw/zinc/61/60/12/534616012.db2.gz OEUBXBZAPCSZJD-LJQANCHMSA-N 1 3 282.431 3.169 20 0 CGADHO CCc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000088164170 523940812 /nfs/dbraw/zinc/94/08/12/523940812.db2.gz BFEKWCBUDYLYCR-AYHJJNSGSA-N 1 3 272.436 3.354 20 0 CGADHO CCc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000088164170 523940819 /nfs/dbraw/zinc/94/08/19/523940819.db2.gz BFEKWCBUDYLYCR-AYHJJNSGSA-N 1 3 272.436 3.354 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000157862219 525335645 /nfs/dbraw/zinc/33/56/45/525335645.db2.gz KECSWFXWDQRXNH-KBPBESRZSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cncs1 ZINC000157862219 525335653 /nfs/dbraw/zinc/33/56/53/525335653.db2.gz KECSWFXWDQRXNH-KBPBESRZSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@@H](NCCCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000045664094 525435390 /nfs/dbraw/zinc/43/53/90/525435390.db2.gz XPUKKZZIQHWITJ-LLVKDONJSA-N 1 3 272.795 3.472 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000436272756 527766439 /nfs/dbraw/zinc/76/64/39/527766439.db2.gz SMKAFFREYYSLPG-KZNAEPCWSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000436272756 527766442 /nfs/dbraw/zinc/76/64/42/527766442.db2.gz SMKAFFREYYSLPG-KZNAEPCWSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000436272756 527766444 /nfs/dbraw/zinc/76/64/44/527766444.db2.gz SMKAFFREYYSLPG-KZNAEPCWSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000423379932 527831299 /nfs/dbraw/zinc/83/12/99/527831299.db2.gz MIPJAZGXHCPTOB-WCVJEAGWSA-N 1 3 252.446 3.321 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000367602927 527846112 /nfs/dbraw/zinc/84/61/12/527846112.db2.gz WUCCAYZSLHOMQY-QGZVFWFLSA-N 1 3 298.434 3.029 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000367602927 527846119 /nfs/dbraw/zinc/84/61/19/527846119.db2.gz WUCCAYZSLHOMQY-QGZVFWFLSA-N 1 3 298.434 3.029 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccoc2C)CC1 ZINC000414369952 528095337 /nfs/dbraw/zinc/09/53/37/528095337.db2.gz KPLQZSPLSFXFTA-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO CC(C)COc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423283226 528161687 /nfs/dbraw/zinc/16/16/87/528161687.db2.gz DZPFINYMJYJOQS-CYBMUJFWSA-N 1 3 264.413 3.109 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000414079188 528262306 /nfs/dbraw/zinc/26/23/06/528262306.db2.gz SOGXLDCJZPYMQO-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)c1nc([C@@H](C)NCCC[C@@H]2CCC[NH2+]2)cs1 ZINC000423483016 528300620 /nfs/dbraw/zinc/30/06/20/528300620.db2.gz PNHMBZYTPFXRDN-CHWSQXEVSA-N 1 3 281.469 3.449 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000423494090 528315398 /nfs/dbraw/zinc/31/53/98/528315398.db2.gz CUTWAVBQFHTUOZ-SDDRHHMPSA-N 1 3 267.442 3.045 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275399 528533913 /nfs/dbraw/zinc/53/39/13/528533913.db2.gz NDDDEUPJLAQVDB-MFKMUULPSA-N 1 3 290.329 3.219 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423075938 528570336 /nfs/dbraw/zinc/57/03/36/528570336.db2.gz PRPFASGLDFEBAF-DOTOQJQBSA-N 1 3 275.440 3.116 20 0 CGADHO CCCNc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000423075938 528570340 /nfs/dbraw/zinc/57/03/40/528570340.db2.gz PRPFASGLDFEBAF-DOTOQJQBSA-N 1 3 275.440 3.116 20 0 CGADHO CCCCO[C@H]1C[C@@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000423287451 528649793 /nfs/dbraw/zinc/64/97/93/528649793.db2.gz MKLHYUBSTNDJEC-KGLIPLIRSA-N 1 3 270.461 3.077 20 0 CGADHO CCCCO[C@H]1C[C@@H](NCC([NH3+])(CC)CC)C1(C)C ZINC000423287451 528649800 /nfs/dbraw/zinc/64/98/00/528649800.db2.gz MKLHYUBSTNDJEC-KGLIPLIRSA-N 1 3 270.461 3.077 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CCOC2(CCC2)C1)C(C)C ZINC000449184331 528885526 /nfs/dbraw/zinc/88/55/26/528885526.db2.gz MPCOOIWXYNNYFS-INIZCTEOSA-N 1 3 282.472 3.187 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000423288395 528953370 /nfs/dbraw/zinc/95/33/70/528953370.db2.gz RYJASRGMYGXKIJ-CQSZACIVSA-N 1 3 286.423 3.040 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423261352 529069244 /nfs/dbraw/zinc/06/92/44/529069244.db2.gz JUHDUIIVKRDMAH-GXFFZTMASA-N 1 3 285.229 3.083 20 0 CGADHO CC(C)[C@H](NCC[C@H](C)[NH3+])c1cc2ccccc2o1 ZINC000423225807 529120669 /nfs/dbraw/zinc/12/06/69/529120669.db2.gz OIBUSGJTUCTZTO-LRDDRELGSA-N 1 3 260.381 3.457 20 0 CGADHO CC[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc(C)c1 ZINC000423346861 529180565 /nfs/dbraw/zinc/18/05/65/529180565.db2.gz QKXTUMIJPGXSLD-IAGOWNOFSA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1cccc(C)c1 ZINC000423346861 529180568 /nfs/dbraw/zinc/18/05/68/529180568.db2.gz QKXTUMIJPGXSLD-IAGOWNOFSA-N 1 3 260.425 3.425 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512050559 535526627 /nfs/dbraw/zinc/52/66/27/535526627.db2.gz CVYZHASGUJENSQ-QTLSWZBMSA-N 1 3 294.389 3.300 20 0 CGADHO CSc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222939393 572628567 /nfs/dbraw/zinc/62/85/67/572628567.db2.gz GGXUGXYDTGTVSD-YUTCNCBUSA-N 1 3 264.438 3.329 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC000926136107 618155852 /nfs/dbraw/zinc/15/58/52/618155852.db2.gz SZXNXRUEFRKSPM-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO COCCCC1(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCC1 ZINC000893094534 618994284 /nfs/dbraw/zinc/99/42/84/618994284.db2.gz LGKGDCXGMHYREG-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925522766 619017143 /nfs/dbraw/zinc/01/71/43/619017143.db2.gz UFJKOLHKHXAZHQ-QEJZJMRPSA-N 1 3 276.424 3.252 20 0 CGADHO c1cc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cs1 ZINC000925528638 619025696 /nfs/dbraw/zinc/02/56/96/619025696.db2.gz UDTWTJXYDTZBHF-HOTGVXAUSA-N 1 3 278.465 3.049 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C/C=C\c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435195 619162897 /nfs/dbraw/zinc/16/28/97/619162897.db2.gz AIYMNXZQYRGAHB-JIYQYTEPSA-N 1 3 290.838 3.237 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C/C=C\c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931435195 619162898 /nfs/dbraw/zinc/16/28/98/619162898.db2.gz AIYMNXZQYRGAHB-JIYQYTEPSA-N 1 3 290.838 3.237 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)s1 ZINC000925777321 619240499 /nfs/dbraw/zinc/24/04/99/619240499.db2.gz DEKPLDFOERHYTF-QWRGUYRKSA-N 1 3 288.407 3.206 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925840344 619290316 /nfs/dbraw/zinc/29/03/16/619290316.db2.gz VEIZCMLTRYHJGM-DTZQCDIJSA-N 1 3 294.389 3.013 20 0 CGADHO c1ccc([C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C2CC2)cc1 ZINC000925847646 619294390 /nfs/dbraw/zinc/29/43/90/619294390.db2.gz XPWBUSAROFWIEY-FGTMMUONSA-N 1 3 270.420 3.260 20 0 CGADHO [NH3+]CCC[C@@H](NCc1cccc2c1OCC2)c1ccccc1 ZINC000925873550 619302947 /nfs/dbraw/zinc/30/29/47/619302947.db2.gz BNFKIHHHKRVQJC-GOSISDBHSA-N 1 3 296.414 3.191 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC=CCC1 ZINC000925881428 619306815 /nfs/dbraw/zinc/30/68/15/619306815.db2.gz RQBQGOZWZBMSSA-ZDUSSCGKSA-N 1 3 273.424 3.246 20 0 CGADHO Cc1coc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000893967699 619342107 /nfs/dbraw/zinc/34/21/07/619342107.db2.gz RJYLGWQGGLSIEM-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1coc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000893967699 619342109 /nfs/dbraw/zinc/34/21/09/619342109.db2.gz RJYLGWQGGLSIEM-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cnc[nH]2)cc1 ZINC000894176561 619406493 /nfs/dbraw/zinc/40/64/93/619406493.db2.gz UITQKUQYSGOXFQ-OAHLLOKOSA-N 1 3 298.434 3.074 20 0 CGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2cnc[nH]2)cc1 ZINC000894176561 619406497 /nfs/dbraw/zinc/40/64/97/619406497.db2.gz UITQKUQYSGOXFQ-OAHLLOKOSA-N 1 3 298.434 3.074 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924961873 619463448 /nfs/dbraw/zinc/46/34/48/619463448.db2.gz XDZJNHFPWGOVNE-DLBZAZTESA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H](C[NH3+])C1 ZINC000261979778 619510153 /nfs/dbraw/zinc/51/01/53/619510153.db2.gz RFXZRRPGRWIPRT-LBPRGKRZSA-N 1 3 286.341 3.185 20 0 CGADHO FC(F)(F)c1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262059163 619644014 /nfs/dbraw/zinc/64/40/14/619644014.db2.gz QYVUHSZYEZFXBP-UHFFFAOYSA-N 1 3 298.352 3.281 20 0 CGADHO CC(C)(C)c1ncc(CN2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262130426 619738719 /nfs/dbraw/zinc/73/87/19/619738719.db2.gz YCILBDIFQWMEPT-UHFFFAOYSA-N 1 3 293.480 3.016 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000895292214 619797613 /nfs/dbraw/zinc/79/76/13/619797613.db2.gz NAJPVEJXDTXBBJ-RFQIPJPRSA-N 1 3 266.454 3.170 20 0 CGADHO C[C@@H](CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1)N(C)C ZINC000895293842 619798981 /nfs/dbraw/zinc/79/89/81/619798981.db2.gz RTQAGEBONVKKLI-XOMBGVMMSA-N 1 3 282.378 3.141 20 0 CGADHO CC[C@H](NCC1([NH3+])CC1)c1cccc2ccccc21 ZINC000902403732 621308034 /nfs/dbraw/zinc/30/80/34/621308034.db2.gz ARAPDJWAFXMAGM-INIZCTEOSA-N 1 3 254.377 3.372 20 0 CGADHO CC(C)(CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000902430924 621315571 /nfs/dbraw/zinc/31/55/71/621315571.db2.gz JYQFLOFCXSVDCJ-SJORKVTESA-N 1 3 288.435 3.174 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468218 621339781 /nfs/dbraw/zinc/33/97/81/621339781.db2.gz NGABANCBSPAUCR-WRCBOWBKSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1nc(-c2ccccc2)cs1 ZINC000902487640 621355065 /nfs/dbraw/zinc/35/50/65/621355065.db2.gz LIBDFTJPMRKSRZ-OBJOEFQTSA-N 1 3 287.432 3.198 20 0 CGADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CCOCC1 ZINC000902833142 621466016 /nfs/dbraw/zinc/46/60/16/621466016.db2.gz WQTUPRQEECLATD-KSZLIROESA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCCO1 ZINC000903196800 621622380 /nfs/dbraw/zinc/62/23/80/621622380.db2.gz RNPIQUKSFBETCU-JQWQUYJUSA-N 1 3 292.467 3.082 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCCO1 ZINC000903196800 621622381 /nfs/dbraw/zinc/62/23/81/621622381.db2.gz RNPIQUKSFBETCU-JQWQUYJUSA-N 1 3 292.467 3.082 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000903330898 621705572 /nfs/dbraw/zinc/70/55/72/621705572.db2.gz LMBBTRHBGUWXTP-VYDXJSESSA-N 1 3 296.499 3.433 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381182 621722089 /nfs/dbraw/zinc/72/20/89/621722089.db2.gz SNIVVAIOPWNZIT-BZSNNMDCSA-N 1 3 289.467 3.489 20 0 CGADHO CCC[C@@H](CC)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379941 621722406 /nfs/dbraw/zinc/72/24/06/621722406.db2.gz JEYBAVZZLNAVBO-HZPDHXFCSA-N 1 3 263.429 3.243 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CCC[C@H]2C[C@]21C)c1cccnc1 ZINC000903379644 621722477 /nfs/dbraw/zinc/72/24/77/621722477.db2.gz HPYIUBMPABTSEL-WNRNVDISSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)CCc1nc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903497463 621767048 /nfs/dbraw/zinc/76/70/48/621767048.db2.gz YDRKVHAVOXZVEZ-ZIAGYGMSSA-N 1 3 295.496 3.148 20 0 CGADHO Cc1cc(C)nc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000903748949 621799743 /nfs/dbraw/zinc/79/97/43/621799743.db2.gz DVFQNIPAORSOSA-UHFFFAOYSA-N 1 3 275.440 3.039 20 0 CGADHO CCCN(C[C@H]([NH3+])CC(F)F)[C@H]1CCc2ccccc21 ZINC000903884357 621826790 /nfs/dbraw/zinc/82/67/90/621826790.db2.gz XRYPJUAEMMAWSR-HIFRSBDPSA-N 1 3 282.378 3.368 20 0 CGADHO CSc1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903925635 621833888 /nfs/dbraw/zinc/83/38/88/621833888.db2.gz HJTCEJJFMJXIGI-UHFFFAOYSA-N 1 3 298.455 3.344 20 0 CGADHO Fc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1C(F)F ZINC000904351071 621911535 /nfs/dbraw/zinc/91/15/35/621911535.db2.gz UONZOUVUCQIOJJ-UHFFFAOYSA-N 1 3 298.352 3.339 20 0 CGADHO COCc1cccc(C[NH2+]C[C@@H](N)CCC(C)(C)C)c1 ZINC000904364234 621915332 /nfs/dbraw/zinc/91/53/32/621915332.db2.gz JEIJCTBJHQNVKR-INIZCTEOSA-N 1 3 278.440 3.076 20 0 CGADHO C[C@@H]1[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CO[C@H]1C ZINC000924857025 622769221 /nfs/dbraw/zinc/76/92/21/622769221.db2.gz PWIQXKSFKYDNQK-MPGHIAIKSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CO[C@H]1C ZINC000924857025 622769223 /nfs/dbraw/zinc/76/92/23/622769223.db2.gz PWIQXKSFKYDNQK-MPGHIAIKSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](C[NH2+]C1CCCCCCC1)CN1CCCC1 ZINC000057994375 622895729 /nfs/dbraw/zinc/89/57/29/622895729.db2.gz OYNYYFORJXSLQJ-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO COc1ccc(CNCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000921514987 625623727 /nfs/dbraw/zinc/62/37/27/625623727.db2.gz WYVSOMORZBNMOM-UHFFFAOYSA-N 1 3 298.430 3.355 20 0 CGADHO Cc1oc(-c2ccccc2)nc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497675 626158464 /nfs/dbraw/zinc/15/84/64/626158464.db2.gz IVWOSUHOQGDPBL-BBRMVZONSA-N 1 3 299.418 3.067 20 0 CGADHO CCCCC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000765406743 627248464 /nfs/dbraw/zinc/24/84/64/627248464.db2.gz UPFUFUFYUOYCHK-GVDBMIGSSA-N 1 3 284.488 3.434 20 0 CGADHO COc1ccc2c(c1)nccc2N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000765505259 627255152 /nfs/dbraw/zinc/25/51/52/627255152.db2.gz DWSVZDTXOVFWBS-CQSZACIVSA-N 1 3 299.418 3.021 20 0 CGADHO COc1ccc2c(c1)nccc2N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000765505259 627255155 /nfs/dbraw/zinc/25/51/55/627255155.db2.gz DWSVZDTXOVFWBS-CQSZACIVSA-N 1 3 299.418 3.021 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000766478376 627335618 /nfs/dbraw/zinc/33/56/18/627335618.db2.gz IZVJIGOYPGMMFE-BQFCYCMXSA-N 1 3 272.436 3.445 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000767413613 627406481 /nfs/dbraw/zinc/40/64/81/627406481.db2.gz CTHYFDKTKXQKGM-GOSISDBHSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000767413617 627406636 /nfs/dbraw/zinc/40/66/36/627406636.db2.gz CTHYFDKTKXQKGM-SFHVURJKSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000125156559 634605336 /nfs/dbraw/zinc/60/53/36/634605336.db2.gz NXSBWGKEXCCOGM-SFHVURJKSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000125156559 634605339 /nfs/dbraw/zinc/60/53/39/634605339.db2.gz NXSBWGKEXCCOGM-SFHVURJKSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccc(F)cc2)CC1 ZINC000125156559 634605342 /nfs/dbraw/zinc/60/53/42/634605342.db2.gz NXSBWGKEXCCOGM-SFHVURJKSA-N 1 3 290.426 3.489 20 0 CGADHO Cc1c(CN2CCC(CCC[NH+](C)C)CC2)ccnc1F ZINC000862249648 629330978 /nfs/dbraw/zinc/33/09/78/629330978.db2.gz XQJMCZTZPQAKDH-UHFFFAOYSA-N 1 3 293.430 3.083 20 0 CGADHO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817892034 632228916 /nfs/dbraw/zinc/22/89/16/632228916.db2.gz JBOAUNRDQPAHIO-OLZOCXBDSA-N 1 3 263.429 3.468 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817979929 632270440 /nfs/dbraw/zinc/27/04/40/632270440.db2.gz QDJNARIWIJFYGW-ONGXEEELSA-N 1 3 274.380 3.389 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000818615052 632341731 /nfs/dbraw/zinc/34/17/31/632341731.db2.gz LCZWVVOCAYLSEJ-APHBMKBZSA-N 1 3 262.397 3.006 20 0 CGADHO CCCCCC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000818984388 632359956 /nfs/dbraw/zinc/35/99/56/632359956.db2.gz GKBWYEGFZSRGSU-IRXDYDNUSA-N 1 3 284.488 3.028 20 0 CGADHO CCCCCC[C@H](O)CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000818984388 632359958 /nfs/dbraw/zinc/35/99/58/632359958.db2.gz GKBWYEGFZSRGSU-IRXDYDNUSA-N 1 3 284.488 3.028 20 0 CGADHO CCCCCC[C@H](O)CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000818984388 632359963 /nfs/dbraw/zinc/35/99/63/632359963.db2.gz GKBWYEGFZSRGSU-IRXDYDNUSA-N 1 3 284.488 3.028 20 0 CGADHO C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000866236977 633037874 /nfs/dbraw/zinc/03/78/74/633037874.db2.gz ANSHWOZMFICLDB-DLBZAZTESA-N 1 3 289.467 3.114 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583657 633202474 /nfs/dbraw/zinc/20/24/74/633202474.db2.gz DECZILSMMXVGSR-UWWQBHOKSA-N 1 3 290.426 3.173 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583657 633202476 /nfs/dbraw/zinc/20/24/76/633202476.db2.gz DECZILSMMXVGSR-UWWQBHOKSA-N 1 3 290.426 3.173 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCCOC1 ZINC000872053813 633977209 /nfs/dbraw/zinc/97/72/09/633977209.db2.gz WVMRALJRSNRHQU-BZSNNMDCSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc([O-])c1F ZINC000872067723 633990021 /nfs/dbraw/zinc/99/00/21/633990021.db2.gz SBQDBGGHMGGBNJ-GFCCVEGCSA-N 1 3 292.398 3.056 20 0 CGADHO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc([O-])c1F ZINC000872067724 633990073 /nfs/dbraw/zinc/99/00/73/633990073.db2.gz SBQDBGGHMGGBNJ-LBPRGKRZSA-N 1 3 292.398 3.056 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(Cl)c2)CCC1 ZINC000873248419 634300481 /nfs/dbraw/zinc/30/04/81/634300481.db2.gz FNFMCHMUSIHHLM-GJZGRUSLSA-N 1 3 278.827 3.231 20 0 CGADHO CC[C@H](NC[C@@H]1CC=CC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873253663 634302260 /nfs/dbraw/zinc/30/22/60/634302260.db2.gz ZWSSOHXRGAHCAP-CRWXNKLISA-N 1 3 290.373 3.251 20 0 CGADHO [NH3+]CCc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000841032363 635109974 /nfs/dbraw/zinc/10/99/74/635109974.db2.gz SFWBIMDGASUNLJ-UHFFFAOYSA-N 1 3 292.785 3.270 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(SC(F)F)cc2)C1 ZINC000841056999 635115302 /nfs/dbraw/zinc/11/53/02/635115302.db2.gz GTHHNGVKKQFSIP-RYUDHWBXSA-N 1 3 286.391 3.361 20 0 CGADHO FC(F)(F)C1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000841088615 635119919 /nfs/dbraw/zinc/11/99/19/635119919.db2.gz BAMGHEJXNFQKGJ-WXRRBKDZSA-N 1 3 290.373 3.372 20 0 CGADHO CC[C@H]1C[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000877675396 635142080 /nfs/dbraw/zinc/14/20/80/635142080.db2.gz YTYPCSQSHDUIEY-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744973 635178681 /nfs/dbraw/zinc/17/86/81/635178681.db2.gz YTYZUBYQFLIXDJ-SJLPKXTDSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744973 635178684 /nfs/dbraw/zinc/17/86/84/635178684.db2.gz YTYZUBYQFLIXDJ-SJLPKXTDSA-N 1 3 270.420 3.090 20 0 CGADHO C[C@H]1CN(CCCCCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000842472717 635377979 /nfs/dbraw/zinc/37/79/79/635377979.db2.gz JGFDXYSVYHZVLH-FUHWJXTLSA-N 1 3 290.451 3.358 20 0 CGADHO Cc1nc([C@H]2CCCN2CCCCCCC[NH3+])cs1 ZINC000842475982 635378109 /nfs/dbraw/zinc/37/81/09/635378109.db2.gz CPJCDTJDFUFDCW-OAHLLOKOSA-N 1 3 281.469 3.498 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878159380 635384695 /nfs/dbraw/zinc/38/46/95/635384695.db2.gz KLDOBBUCESQFBF-HNNXBMFYSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878159380 635384702 /nfs/dbraw/zinc/38/47/02/635384702.db2.gz KLDOBBUCESQFBF-HNNXBMFYSA-N 1 3 264.457 3.230 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc2c(c1)CCC2 ZINC000843053779 635551506 /nfs/dbraw/zinc/55/15/06/635551506.db2.gz JEQKETHTASQKAI-AYHJJNSGSA-N 1 3 270.420 3.020 20 0 CGADHO CC1(C)Cc2cc(CNCc3ccc(C[NH3+])cc3)ccc2O1 ZINC000843129140 635563683 /nfs/dbraw/zinc/56/36/83/635563683.db2.gz RYTRUIJLCOEVIG-UHFFFAOYSA-N 1 3 296.414 3.149 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@H](CF)C1)N1CCC[C@@H](CF)C1 ZINC000880233910 635945126 /nfs/dbraw/zinc/94/51/26/635945126.db2.gz AORPDEXHMZSZEU-OAGGEKHMSA-N 1 3 288.426 3.128 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@H](CF)C1)N1CCC[C@@H](CF)C1 ZINC000880233910 635945130 /nfs/dbraw/zinc/94/51/30/635945130.db2.gz AORPDEXHMZSZEU-OAGGEKHMSA-N 1 3 288.426 3.128 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259391 635959830 /nfs/dbraw/zinc/95/98/30/635959830.db2.gz RSOZHYJAQPYTBS-KGLIPLIRSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259391 635959836 /nfs/dbraw/zinc/95/98/36/635959836.db2.gz RSOZHYJAQPYTBS-KGLIPLIRSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259391 635959840 /nfs/dbraw/zinc/95/98/40/635959840.db2.gz RSOZHYJAQPYTBS-KGLIPLIRSA-N 1 3 297.393 3.274 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc2c1CCC2 ZINC000844902994 635980861 /nfs/dbraw/zinc/98/08/61/635980861.db2.gz WWKRNCOWIBRWHZ-ALOPSCKCSA-N 1 3 270.420 3.020 20 0 CGADHO C[C@H](CSC(C)(C)C)NCc1ccc(C[NH3+])cc1F ZINC000844923778 635985781 /nfs/dbraw/zinc/98/57/81/635985781.db2.gz KCDQXIXBRMXZDW-LLVKDONJSA-N 1 3 284.444 3.294 20 0 CGADHO Cc1ccccc1C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880469708 636006752 /nfs/dbraw/zinc/00/67/52/636006752.db2.gz DOCUKJGUBHESDN-UHFFFAOYSA-N 1 3 258.409 3.055 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883434313 636755586 /nfs/dbraw/zinc/75/55/86/636755586.db2.gz NFLCMIFNFDCKOH-BRSBDYLESA-N 1 3 288.435 3.156 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCCCCF)CC1 ZINC000886718370 637671855 /nfs/dbraw/zinc/67/18/55/637671855.db2.gz YCOPWBGDNXETGD-UHFFFAOYSA-N 1 3 256.409 3.077 20 0 CGADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H]1CCC(F)(F)C1 ZINC000887134755 637755169 /nfs/dbraw/zinc/75/51/69/637755169.db2.gz PRARKXVZDWMCHV-UONOGXRCSA-N 1 3 295.377 3.028 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1cccc(F)c1)CN1CCCCC1 ZINC000222224398 637781712 /nfs/dbraw/zinc/78/17/12/637781712.db2.gz NVNJCZILMPECGO-HZPDHXFCSA-N 1 3 292.442 3.468 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC ZINC000222939829 637834912 /nfs/dbraw/zinc/83/49/12/637834912.db2.gz XTXYPMRJVLNZQI-NFAWXSAZSA-N 1 3 262.397 3.006 20 0 CGADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccns1 ZINC000925085475 638448827 /nfs/dbraw/zinc/44/88/27/638448827.db2.gz HRWUVCJVOUYTLT-DGCLKSJQSA-N 1 3 269.458 3.160 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc(OC)n1 ZINC000925302886 638493899 /nfs/dbraw/zinc/49/38/99/638493899.db2.gz JXEJPTOZRFHOHL-HNNXBMFYSA-N 1 3 291.439 3.004 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925503897 638513134 /nfs/dbraw/zinc/51/31/34/638513134.db2.gz KWKVMVYLHDKNOU-ARILJUKYSA-N 1 3 282.497 3.027 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@@H](c2cccs2)C2CC2)C12CCC2 ZINC000925513469 638515776 /nfs/dbraw/zinc/51/57/76/638515776.db2.gz GSWLDISEFHPOHR-MGPQQGTHSA-N 1 3 262.422 3.059 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCSc2ccc(Cl)cc2)C12CCC2 ZINC000925516975 638516354 /nfs/dbraw/zinc/51/63/54/638516354.db2.gz VTAJJYYNOSIBEZ-KBPBESRZSA-N 1 3 296.867 3.292 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2ccc3ccccc3c2)C12CCC2 ZINC000925599453 638541094 /nfs/dbraw/zinc/54/10/94/638541094.db2.gz AUHWRUPBNCXKHJ-ROUUACIJSA-N 1 3 280.415 3.242 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925616059 638544767 /nfs/dbraw/zinc/54/47/67/638544767.db2.gz QAXPNHSMLJITSJ-RQJABVFESA-N 1 3 296.480 3.056 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657895 638559454 /nfs/dbraw/zinc/55/94/54/638559454.db2.gz UVPOATAJUDAZSH-OBJOEFQTSA-N 1 3 268.351 3.100 20 0 CGADHO c1[nH]nc2c1CCC[C@H]2NCCCCC[NH+]1CCCCC1 ZINC000857853333 638577880 /nfs/dbraw/zinc/57/78/80/638577880.db2.gz CDZLNZGFPBYNCG-MRXNPFEDSA-N 1 3 290.455 3.033 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc3cccnc3c2)C1 ZINC000925724451 638582133 /nfs/dbraw/zinc/58/21/33/638582133.db2.gz BDSUMMRMKLJCOG-JKSUJKDBSA-N 1 3 283.419 3.230 20 0 CGADHO C1CC12CCC[C@@H]2[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925726107 638584474 /nfs/dbraw/zinc/58/44/74/638584474.db2.gz YOWHPBPHDDZXPF-JYJNAYRXSA-N 1 3 262.441 3.077 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC000925734910 638587665 /nfs/dbraw/zinc/58/76/65/638587665.db2.gz CVIWJXOGQHDBHL-DGCLKSJQSA-N 1 3 297.393 3.325 20 0 CGADHO CCC[C@@H](C)CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000925735284 638589254 /nfs/dbraw/zinc/58/92/54/638589254.db2.gz YJYWEQGBJOLWAG-CHWSQXEVSA-N 1 3 263.429 3.326 20 0 CGADHO CCCCO[C@H]1C[C@H](N2CCC([NH3+])(CC)CC2)C1(C)C ZINC000925756967 638599243 /nfs/dbraw/zinc/59/92/43/638599243.db2.gz QMTFYTUKFHFHQV-GJZGRUSLSA-N 1 3 282.472 3.174 20 0 CGADHO CCC1([NH3+])CCN([C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000925758922 638599758 /nfs/dbraw/zinc/59/97/58/638599758.db2.gz IGBAJOZEDOBVIY-OAHLLOKOSA-N 1 3 298.434 3.137 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H](c1ccccc1)c1ccccn1 ZINC000925795265 638615908 /nfs/dbraw/zinc/61/59/08/638615908.db2.gz HDNAFBCAPVIDDS-SUMDDJOVSA-N 1 3 295.430 3.006 20 0 CGADHO CSC1CCC(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925802348 638617258 /nfs/dbraw/zinc/61/72/58/638617258.db2.gz MFLGMVFDRSHTOV-NCOXYXGASA-N 1 3 296.524 3.274 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)C1(Cl)CC1)N1CCCCC1 ZINC000926146875 638721994 /nfs/dbraw/zinc/72/19/94/638721994.db2.gz XHPDVZKZTFMKFZ-STQMWFEESA-N 1 3 258.837 3.000 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000926717273 638803149 /nfs/dbraw/zinc/80/31/49/638803149.db2.gz FPTRQWMSGTXPPU-CQSZACIVSA-N 1 3 288.426 3.378 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000926717273 638803151 /nfs/dbraw/zinc/80/31/51/638803151.db2.gz FPTRQWMSGTXPPU-CQSZACIVSA-N 1 3 288.426 3.378 20 0 CGADHO C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)c1ccc(F)cn1 ZINC000927036584 638834364 /nfs/dbraw/zinc/83/43/64/638834364.db2.gz DEGKEYWGWLURLM-BZOOQXSSSA-N 1 3 291.414 3.278 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1C ZINC000932569798 639358359 /nfs/dbraw/zinc/35/83/59/639358359.db2.gz GJYUIZCRICTYOG-HOCLYGCPSA-N 1 3 276.424 3.139 20 0 CGADHO Cc1cc(C)nc(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001155995280 805639559 /nfs/dbraw/zinc/63/95/59/805639559.db2.gz WZXBDPUGIAZHDR-UHFFFAOYSA-N 1 3 296.418 3.173 20 0 CGADHO CCCC[C@@H](O)CNC1CC[NH+](CC2CCCCC2)CC1 ZINC001252117080 806004514 /nfs/dbraw/zinc/00/45/14/806004514.db2.gz BRCJAIBPPVOJEG-GOSISDBHSA-N 1 3 296.499 3.172 20 0 CGADHO CCCC[C@@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001252117080 806004522 /nfs/dbraw/zinc/00/45/22/806004522.db2.gz BRCJAIBPPVOJEG-GOSISDBHSA-N 1 3 296.499 3.172 20 0 CGADHO c1cc(Nc2ccc3c(c2)C[NH2+]C3)cc(C2CC2)n1 ZINC001159366312 806087032 /nfs/dbraw/zinc/08/70/32/806087032.db2.gz VNAHPUWORKLRAT-UHFFFAOYSA-N 1 3 251.333 3.306 20 0 CGADHO Cn1ccc2c1ccnc2N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001161186352 806356520 /nfs/dbraw/zinc/35/65/20/806356520.db2.gz KDIWXLBJDPPWLT-HNNXBMFYSA-N 1 3 298.434 3.250 20 0 CGADHO Cn1ccc2c1ccnc2N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001161186352 806356529 /nfs/dbraw/zinc/35/65/29/806356529.db2.gz KDIWXLBJDPPWLT-HNNXBMFYSA-N 1 3 298.434 3.250 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC001254507577 806429052 /nfs/dbraw/zinc/42/90/52/806429052.db2.gz CJOPVQDBJKSPGC-SUMWQHHRSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC001254507577 806429056 /nfs/dbraw/zinc/42/90/56/806429056.db2.gz CJOPVQDBJKSPGC-SUMWQHHRSA-N 1 3 276.399 3.277 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCNC2Cc3ccccc3C2)C1 ZINC001255012115 806524267 /nfs/dbraw/zinc/52/42/67/806524267.db2.gz OXELTMBKMYCKOW-HOTGVXAUSA-N 1 3 286.463 3.111 20 0 CGADHO C[C@H](CC(F)(F)F)[NH2+]CCCN1CCCC[C@@H]1C ZINC001255634838 806685846 /nfs/dbraw/zinc/68/58/46/806685846.db2.gz ICMBKIJHLVQZIN-NEPJUHHUSA-N 1 3 266.351 3.181 20 0 CGADHO Cc1cncc([C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001255676825 806702919 /nfs/dbraw/zinc/70/29/19/806702919.db2.gz ODCDCOLNEWIIJV-XVLXNVKGSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cncc([C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001255676825 806702922 /nfs/dbraw/zinc/70/29/22/806702922.db2.gz ODCDCOLNEWIIJV-XVLXNVKGSA-N 1 3 299.462 3.446 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000218608603 799135359 /nfs/dbraw/zinc/13/53/59/799135359.db2.gz OYYURBNGNNYOQQ-HZPDHXFCSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@@H](Cc1ccncc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000358668165 799337044 /nfs/dbraw/zinc/33/70/44/799337044.db2.gz RZQQBDOOGFPJSE-HNNXBMFYSA-N 1 3 287.451 3.009 20 0 CGADHO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000385438240 799426135 /nfs/dbraw/zinc/42/61/35/799426135.db2.gz PICPGVSBHFDOGW-NVXWUHKLSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000385438240 799426139 /nfs/dbraw/zinc/42/61/39/799426139.db2.gz PICPGVSBHFDOGW-NVXWUHKLSA-N 1 3 272.436 3.287 20 0 CGADHO Cc1ccc(CN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000688009250 799742773 /nfs/dbraw/zinc/74/27/73/799742773.db2.gz BFSPZIUEFIAEKI-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO CC[N@H+](CCC1CC1)Cc1cc2c(s1)CCNC2 ZINC000688047216 799745086 /nfs/dbraw/zinc/74/50/86/799745086.db2.gz FWUJOIOSXRSBAT-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CC[N@@H+](CCC1CC1)Cc1cc2c(s1)CCNC2 ZINC000688047216 799745090 /nfs/dbraw/zinc/74/50/90/799745090.db2.gz FWUJOIOSXRSBAT-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO Cc1ccc(C2CC([NH2+]CC[C@H](C)N(C)C)C2)cc1 ZINC000697905278 799849707 /nfs/dbraw/zinc/84/97/07/799849707.db2.gz SQBSAARPRVZMBI-OOHWJJMZSA-N 1 3 260.425 3.171 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1ccsc1 ZINC001255942214 806790398 /nfs/dbraw/zinc/79/03/98/806790398.db2.gz CYOBGOFWUXHWTC-ZDUSSCGKSA-N 1 3 254.443 3.001 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccsc1 ZINC001255942214 806790401 /nfs/dbraw/zinc/79/04/01/806790401.db2.gz CYOBGOFWUXHWTC-ZDUSSCGKSA-N 1 3 254.443 3.001 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(N(C)C)cc1 ZINC001255943612 806791322 /nfs/dbraw/zinc/79/13/22/806791322.db2.gz OOUAESWMDKCAKR-MRXNPFEDSA-N 1 3 291.483 3.005 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCCc3ccccc31)[NH2+]2 ZINC000709384270 800007318 /nfs/dbraw/zinc/00/73/18/800007318.db2.gz HWAYURDKLBPHSE-FEFYEGHMSA-N 1 3 270.420 3.183 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000709823558 800019874 /nfs/dbraw/zinc/01/98/74/800019874.db2.gz PERFDWAWISKQGI-CHWSQXEVSA-N 1 3 278.362 3.026 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)c1cccc(C)n1 ZINC001255953063 806796939 /nfs/dbraw/zinc/79/69/39/806796939.db2.gz IFMNIBWGQKSBDL-HNNXBMFYSA-N 1 3 291.483 3.378 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H](C)CC2)C1 ZINC000710324825 800033516 /nfs/dbraw/zinc/03/35/16/800033516.db2.gz IZADTFJFVNAJSS-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@](C)(F)CC1 ZINC001255957189 806797808 /nfs/dbraw/zinc/79/78/08/806797808.db2.gz PDGRQYIHGJDRKH-CABCVRRESA-N 1 3 258.425 3.321 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@](C)(F)CC1 ZINC001255957189 806797813 /nfs/dbraw/zinc/79/78/13/806797813.db2.gz PDGRQYIHGJDRKH-CABCVRRESA-N 1 3 258.425 3.321 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N1CCC[C@](C)(F)CC1 ZINC001255957189 806797816 /nfs/dbraw/zinc/79/78/16/806797816.db2.gz PDGRQYIHGJDRKH-CABCVRRESA-N 1 3 258.425 3.321 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000715493162 800136234 /nfs/dbraw/zinc/13/62/34/800136234.db2.gz XGFMTNOFIAKGMI-GVDBMIGSSA-N 1 3 292.854 3.270 20 0 CGADHO C1=CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716715872 800178839 /nfs/dbraw/zinc/17/88/39/800178839.db2.gz FAIDMGYIJZVTPG-WDSOQIARSA-N 1 3 282.431 3.348 20 0 CGADHO C1=C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716719436 800179470 /nfs/dbraw/zinc/17/94/70/800179470.db2.gz SOWCOQNXKYZDFU-VJANTYMQSA-N 1 3 282.431 3.348 20 0 CGADHO CCN(Cc1cccc(F)c1)C1CC[NH+](C2CC2)CC1 ZINC001256081232 806816164 /nfs/dbraw/zinc/81/61/64/806816164.db2.gz UYRIBIDGXDUMAU-UHFFFAOYSA-N 1 3 276.399 3.274 20 0 CGADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](CC[NH3+])C1 ZINC000723692313 800338633 /nfs/dbraw/zinc/33/86/33/800338633.db2.gz XWALTEKCYHYIFF-WDEREUQCSA-N 1 3 270.779 3.211 20 0 CGADHO CSCc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000724725657 800365351 /nfs/dbraw/zinc/36/53/51/800365351.db2.gz ZDYKZOQUEAFGGG-KRWDZBQOSA-N 1 3 292.492 3.371 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC001256561376 806916333 /nfs/dbraw/zinc/91/63/33/806916333.db2.gz GNIPREJDUJBIAM-IRXDYDNUSA-N 1 3 272.436 3.395 20 0 CGADHO Cc1ccccc1OCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256558849 806914370 /nfs/dbraw/zinc/91/43/70/806914370.db2.gz YEWFXRAESWKRLV-UHFFFAOYSA-N 1 3 290.451 3.226 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256782018 806975857 /nfs/dbraw/zinc/97/58/57/806975857.db2.gz KEGBSPKFQLUHGN-ROUUACIJSA-N 1 3 290.451 3.228 20 0 CGADHO c1nc2cc(C3=CNCCC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001243952281 803098055 /nfs/dbraw/zinc/09/80/55/803098055.db2.gz IWAPDYKHWJXXKA-MRXNPFEDSA-N 1 3 296.418 3.075 20 0 CGADHO CN(C)CC1(C[N@@H+]2CCCC[C@](C)(F)C2)CCCC1 ZINC001208184802 813736127 /nfs/dbraw/zinc/73/61/27/813736127.db2.gz PTOQGYQZXQSLSK-HNNXBMFYSA-N 1 3 270.436 3.323 20 0 CGADHO CN(C)CC1(C[N@H+]2CCCC[C@](C)(F)C2)CCCC1 ZINC001208184802 813736134 /nfs/dbraw/zinc/73/61/34/813736134.db2.gz PTOQGYQZXQSLSK-HNNXBMFYSA-N 1 3 270.436 3.323 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(O)c3ccccc13)CC2 ZINC001138062540 803845930 /nfs/dbraw/zinc/84/59/30/803845930.db2.gz PQEWZBBIYUPILX-UHFFFAOYSA-N 1 3 296.414 3.073 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CCN1 ZINC001246066587 804106778 /nfs/dbraw/zinc/10/67/78/804106778.db2.gz RQUBCYMDKHPIMW-KLHDSHLOSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)C1CCC(N[C@@H](C[NH3+])c2ccccc2)CC1 ZINC001246073962 804112110 /nfs/dbraw/zinc/11/21/10/804112110.db2.gz BUPUGFLILGCZAJ-PREGVCBESA-N 1 3 260.425 3.491 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246099489 804131317 /nfs/dbraw/zinc/13/13/17/804131317.db2.gz HWCLKFLBUCWALK-NSHDSACASA-N 1 3 287.234 3.178 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(C)cc2)C[C@H](CC)[NH2+]1 ZINC001246099211 804132360 /nfs/dbraw/zinc/13/23/60/804132360.db2.gz QROPCGFFMOUDAW-PIIMJCKOSA-N 1 3 274.452 3.436 20 0 CGADHO CCCC1CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246102782 804135168 /nfs/dbraw/zinc/13/51/68/804135168.db2.gz FMUWQJKZPVCVKW-PRLABOORSA-N 1 3 252.446 3.323 20 0 CGADHO Clc1ccc(C2CCC([NH2+][C@H]3CCNC3)CC2)cc1 ZINC001246117619 804149668 /nfs/dbraw/zinc/14/96/68/804149668.db2.gz RXBSRQFFASBXOV-BCLQGDPASA-N 1 3 278.827 3.318 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]C1(C)CCNCC1 ZINC001246129126 804155688 /nfs/dbraw/zinc/15/56/88/804155688.db2.gz PGOXMIXNBUSGCE-INIZCTEOSA-N 1 3 260.425 3.130 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246149069 804169013 /nfs/dbraw/zinc/16/90/13/804169013.db2.gz QKHKULZHXIXYFK-QXSJWSMHSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@H](C(C)C)C2)c(C)c1 ZINC001246158477 804173841 /nfs/dbraw/zinc/17/38/41/804173841.db2.gz KBFSBYGQAGYJMO-MSOLQXFVSA-N 1 3 274.452 3.212 20 0 CGADHO C[NH2+]CC[C@H](C)NCCc1ccc(Cl)cc1Cl ZINC001246160864 804177649 /nfs/dbraw/zinc/17/76/49/804177649.db2.gz WDYWZQVHKDBIPN-JTQLQIEISA-N 1 3 275.223 3.124 20 0 CGADHO C[C@@H]1CC([NH2+]CCCOc2cccc(Cl)c2)C[C@@H](C)N1 ZINC001246174188 804189040 /nfs/dbraw/zinc/18/90/40/804189040.db2.gz JBXZZUZMAOUJFM-CHWSQXEVSA-N 1 3 296.842 3.228 20 0 CGADHO CC(C)[C@H]1C[C@@H](N[C@H](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246179401 804193901 /nfs/dbraw/zinc/19/39/01/804193901.db2.gz MWATUNAVCIGRCC-XOKHGSTOSA-N 1 3 278.415 3.123 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)C[C@H](C)N1 ZINC001246180018 804194075 /nfs/dbraw/zinc/19/40/75/804194075.db2.gz OHQSZSGKUFAKKI-AGGWBTHJSA-N 1 3 296.842 3.228 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246220583 804214356 /nfs/dbraw/zinc/21/43/56/804214356.db2.gz LJVDYXUNOHVRQG-PWXJCGIASA-N 1 3 299.245 3.122 20 0 CGADHO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246305087 804269986 /nfs/dbraw/zinc/26/99/86/804269986.db2.gz OONTYHUWMYUTSR-HOTGVXAUSA-N 1 3 292.854 3.318 20 0 CGADHO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C)NC1)c1ccc(F)cc1 ZINC001246313168 804275324 /nfs/dbraw/zinc/27/53/24/804275324.db2.gz DREDYKAFTUXFIG-APHBMKBZSA-N 1 3 264.388 3.253 20 0 CGADHO CCCCC[C@H](CC)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246326084 804281742 /nfs/dbraw/zinc/28/17/42/804281742.db2.gz MXIVKPQWNPCTSS-HNNXBMFYSA-N 1 3 298.471 3.010 20 0 CGADHO CC[C@@H](C)C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246331346 804286113 /nfs/dbraw/zinc/28/61/13/804286113.db2.gz AYYGFNZRSDMMLP-LMPOIIKSSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246330853 804286411 /nfs/dbraw/zinc/28/64/11/804286411.db2.gz YPVXFBGYBXALOR-CVEARBPZSA-N 1 3 296.405 3.264 20 0 CGADHO C1[C@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C12CCCC2 ZINC001246331550 804286783 /nfs/dbraw/zinc/28/67/83/804286783.db2.gz CNFSPRAKWQAKJC-CABCVRRESA-N 1 3 262.441 3.364 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246332579 804287451 /nfs/dbraw/zinc/28/74/51/804287451.db2.gz HUJCANBJSTWVQH-ILXRZTDVSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246335676 804291530 /nfs/dbraw/zinc/29/15/30/804291530.db2.gz LMBQPZOGKCOCSP-NWHWRWDZSA-N 1 3 262.441 3.075 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246344050 804296533 /nfs/dbraw/zinc/29/65/33/804296533.db2.gz ALWCSDYZFLCIFS-GDBMZVCRSA-N 1 3 298.833 3.388 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246347105 804297456 /nfs/dbraw/zinc/29/74/56/804297456.db2.gz GGPVDDOXTZHZHQ-QZTJIDSGSA-N 1 3 286.463 3.444 20 0 CGADHO CCc1cc2c(cc1CC)CC(NC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246380196 804313064 /nfs/dbraw/zinc/31/30/64/804313064.db2.gz SZGZNPUUPMLZGI-UFRUDQCGSA-N 1 3 298.474 3.151 20 0 CGADHO CCCCCC[C@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246390353 804318172 /nfs/dbraw/zinc/31/81/72/804318172.db2.gz KHFAZYQFICOBRC-HNNXBMFYSA-N 1 3 270.461 3.094 20 0 CGADHO Fc1ccc([C@@H](CC2CC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246405138 804322301 /nfs/dbraw/zinc/32/23/01/804322301.db2.gz LDXJXDIQTNZPRB-IAGOWNOFSA-N 1 3 276.399 3.399 20 0 CGADHO CCC1([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CCNCC1 ZINC001246423448 804328099 /nfs/dbraw/zinc/32/80/99/804328099.db2.gz JVKRKFGSJUKIEO-KGLIPLIRSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246422171 804328399 /nfs/dbraw/zinc/32/83/99/804328399.db2.gz ROHNSBVVTBJUCR-ZFWWWQNUSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@H](C)N1 ZINC001246442663 804333305 /nfs/dbraw/zinc/33/33/05/804333305.db2.gz KJYOLTMENJHNAG-XEVPTUHLSA-N 1 3 264.457 3.176 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246458621 804339494 /nfs/dbraw/zinc/33/94/94/804339494.db2.gz HKILQCCAOZMBTM-DUFXMDAXSA-N 1 3 287.234 3.394 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCN1 ZINC001246457866 804340841 /nfs/dbraw/zinc/34/08/41/804340841.db2.gz WDKYLUNGYRADIP-YOEHRIQHSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@@H]1CC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[C@@H]1C ZINC001246463439 804345080 /nfs/dbraw/zinc/34/50/80/804345080.db2.gz VOZALEQGSPJSLY-YALNPMBYSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246476331 804351848 /nfs/dbraw/zinc/35/18/48/804351848.db2.gz ZGUQWSZGDSFEGT-SWLSCSKDSA-N 1 3 278.827 3.003 20 0 CGADHO C1=C[C@H](NC2CCC3(CCCCC3)CC2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001246479231 804354119 /nfs/dbraw/zinc/35/41/19/804354119.db2.gz SOICHMUWPGFELB-OIISXLGYSA-N 1 3 274.452 3.243 20 0 CGADHO C[C@@H]1CC[C@@H](NCCCCC2CCCCC2)C[NH2+]1 ZINC001246480223 804354950 /nfs/dbraw/zinc/35/49/50/804354950.db2.gz WRCUQMJRLXMNOI-GDBMZVCRSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246517848 804371744 /nfs/dbraw/zinc/37/17/44/804371744.db2.gz NBBKXZMHNQFAFP-MRXNPFEDSA-N 1 3 254.462 3.281 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246498752 804361965 /nfs/dbraw/zinc/36/19/65/804361965.db2.gz IVRYIQZPCHJZID-KBPBESRZSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@H]([NH2+][C@@H](Cc1ccccc1)CC(C)C)C1CNC1 ZINC001246513363 804366519 /nfs/dbraw/zinc/36/65/19/804366519.db2.gz DLMRGNLIHYGQCZ-MSOLQXFVSA-N 1 3 274.452 3.231 20 0 CGADHO CC(C)[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC001246512732 804367122 /nfs/dbraw/zinc/36/71/22/804367122.db2.gz BSJXFROPMVICDQ-BPLDGKMQSA-N 1 3 252.446 3.035 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246514610 804369397 /nfs/dbraw/zinc/36/93/97/804369397.db2.gz IRMQJVDMLSDVEB-ZENOOKHLSA-N 1 3 252.446 3.179 20 0 CGADHO CCCC[C@H](CCC)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246515255 804370070 /nfs/dbraw/zinc/37/00/70/804370070.db2.gz KXHXZYKEJRJHKU-HOTGVXAUSA-N 1 3 252.446 3.323 20 0 CGADHO CCCCC(CCCC)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246518904 804371438 /nfs/dbraw/zinc/37/14/38/804371438.db2.gz QIZCSKMQNOKHTN-INIZCTEOSA-N 1 3 252.446 3.323 20 0 CGADHO c1ccc(CC2CCC([NH2+][C@H](C3CC3)C3CNC3)CC2)cc1 ZINC001246520454 804373302 /nfs/dbraw/zinc/37/33/02/804373302.db2.gz WHHISSQPLQRCAM-RRWXTXHCSA-N 1 3 298.474 3.376 20 0 CGADHO CCC[N@H+](CC1CC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246534829 804382506 /nfs/dbraw/zinc/38/25/06/804382506.db2.gz ZLTXACNKZIPIGD-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CCC[N@@H+](CC1CC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246534829 804382516 /nfs/dbraw/zinc/38/25/16/804382516.db2.gz ZLTXACNKZIPIGD-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCC3)CCN1 ZINC001246532605 804383624 /nfs/dbraw/zinc/38/36/24/804383624.db2.gz RWTYDNPUTVOMFN-ILXRZTDVSA-N 1 3 264.457 3.466 20 0 CGADHO CC(C)(C)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246548951 804398378 /nfs/dbraw/zinc/39/83/78/804398378.db2.gz OOYQNXDPCIRJEH-MUJYYYPQSA-N 1 3 264.457 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](C)C2)CCN1 ZINC001246556522 804405651 /nfs/dbraw/zinc/40/56/51/804405651.db2.gz HMUFJASUKSFRKE-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](C)C2)CCN1 ZINC001246556522 804405656 /nfs/dbraw/zinc/40/56/56/804405656.db2.gz HMUFJASUKSFRKE-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CN(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246556809 804405859 /nfs/dbraw/zinc/40/58/59/804405859.db2.gz DQGRKNJFALQWOX-BCDXTJNWSA-N 1 3 272.436 3.428 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558122 804406139 /nfs/dbraw/zinc/40/61/39/804406139.db2.gz OUDAWLXSNAOQLN-HOTGVXAUSA-N 1 3 296.405 3.314 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246558122 804406143 /nfs/dbraw/zinc/40/61/43/804406143.db2.gz OUDAWLXSNAOQLN-HOTGVXAUSA-N 1 3 296.405 3.314 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C)C2)CCN1 ZINC001246556523 804406954 /nfs/dbraw/zinc/40/69/54/804406954.db2.gz HMUFJASUKSFRKE-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C)C2)CCN1 ZINC001246556523 804406960 /nfs/dbraw/zinc/40/69/60/804406960.db2.gz HMUFJASUKSFRKE-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558269 804407978 /nfs/dbraw/zinc/40/79/78/804407978.db2.gz OUDAWLXSNAOQLN-HZPDHXFCSA-N 1 3 296.405 3.314 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246558269 804407983 /nfs/dbraw/zinc/40/79/83/804407983.db2.gz OUDAWLXSNAOQLN-HZPDHXFCSA-N 1 3 296.405 3.314 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246561926 804409487 /nfs/dbraw/zinc/40/94/87/804409487.db2.gz HEHYAXYKTMCUIP-YUELXQCFSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCCC[C@H](C[NH3+])C1 ZINC001246583856 804427284 /nfs/dbraw/zinc/42/72/84/804427284.db2.gz SFZXFULSYJYJHU-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH+]2CCC(CC)CC2)CCN1 ZINC001246586519 804429205 /nfs/dbraw/zinc/42/92/05/804429205.db2.gz BNEUBMJOQSWAQA-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246587246 804429452 /nfs/dbraw/zinc/42/94/52/804429452.db2.gz QBSJSGXIKNDENJ-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246587246 804429457 /nfs/dbraw/zinc/42/94/57/804429457.db2.gz QBSJSGXIKNDENJ-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@]1(F)CCN(C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1F ZINC001246590000 804432411 /nfs/dbraw/zinc/43/24/11/804432411.db2.gz RFWIENFUYYBRBM-GJZGRUSLSA-N 1 3 286.410 3.071 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N1C[C@H](C[NH3+])CC[C@H]1C ZINC001246595062 804435884 /nfs/dbraw/zinc/43/58/84/804435884.db2.gz XLCWKLBPCVKJPZ-RDBSUJKOSA-N 1 3 296.455 3.366 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@]3(C1)CCCNC3)CC2 ZINC001246609378 804443372 /nfs/dbraw/zinc/44/33/72/804443372.db2.gz MZZSPEGNJMNSLE-LJQANCHMSA-N 1 3 284.447 3.010 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CC[C@]3(C1)CCCNC3)CC2 ZINC001246609378 804443374 /nfs/dbraw/zinc/44/33/74/804443374.db2.gz MZZSPEGNJMNSLE-LJQANCHMSA-N 1 3 284.447 3.010 20 0 CGADHO Cc1ccc(C[C@@H](C)N2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611967 804446282 /nfs/dbraw/zinc/44/62/82/804446282.db2.gz VETQLMBNUBINPN-IEBWSBKVSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1cccc2c1CC[C@@H](N1CCC3(CCC[NH2+]3)CC1)C2 ZINC001246620429 804454234 /nfs/dbraw/zinc/45/42/34/804454234.db2.gz BOVWFNMSESKCOA-QGZVFWFLSA-N 1 3 284.447 3.070 20 0 CGADHO CC1(C)CCC[C@@H](N2CCC[C@@]3(CCC[NH2+]3)C2)C1 ZINC001246623466 804455013 /nfs/dbraw/zinc/45/50/13/804455013.db2.gz TXNCGBLCRCESDW-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623363 804455084 /nfs/dbraw/zinc/45/50/84/804455084.db2.gz QCMRGVCNHWWZSG-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634677 804463758 /nfs/dbraw/zinc/46/37/58/804463758.db2.gz AOZUEHCJBNRLAL-BSDSXHPESA-N 1 3 270.420 3.149 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N1CC2(C1)CC[NH2+]CC2 ZINC001246636777 804465848 /nfs/dbraw/zinc/46/58/48/804465848.db2.gz FEZIKOBVVTZGRN-GFCCVEGCSA-N 1 3 296.817 3.096 20 0 CGADHO CCCCCC1CCC([N@@H+]2CCO[C@H]3CNCC[C@@H]32)CC1 ZINC001246660631 804483375 /nfs/dbraw/zinc/48/33/75/804483375.db2.gz FBERJMHDPMRYLF-FOIPXRHGSA-N 1 3 294.483 3.188 20 0 CGADHO CCCCCC1CCC([N@H+]2CCO[C@H]3CNCC[C@@H]32)CC1 ZINC001246660631 804483377 /nfs/dbraw/zinc/48/33/77/804483377.db2.gz FBERJMHDPMRYLF-FOIPXRHGSA-N 1 3 294.483 3.188 20 0 CGADHO c1ccc(CC2CCC(N3CC[C@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246667685 804488639 /nfs/dbraw/zinc/48/86/39/804488639.db2.gz UBSDMHUJPHYLTP-GMNCBBECSA-N 1 3 284.447 3.224 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)C1 ZINC001246673927 804489796 /nfs/dbraw/zinc/48/97/96/804489796.db2.gz QPCFUFCIZHITIB-RSPOEFSDSA-N 1 3 298.474 3.428 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)C1 ZINC001246673927 804489799 /nfs/dbraw/zinc/48/97/99/804489799.db2.gz QPCFUFCIZHITIB-RSPOEFSDSA-N 1 3 298.474 3.428 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CCN1 ZINC001246759501 804501542 /nfs/dbraw/zinc/50/15/42/804501542.db2.gz MGPPJFCBAIXPPR-HSFUPAIVSA-N 1 3 294.483 3.044 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CCN1 ZINC001246759501 804501547 /nfs/dbraw/zinc/50/15/47/804501547.db2.gz MGPPJFCBAIXPPR-HSFUPAIVSA-N 1 3 294.483 3.044 20 0 CGADHO CCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246774738 804503916 /nfs/dbraw/zinc/50/39/16/804503916.db2.gz GNVJQMACHGAXIJ-SJORKVTESA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](CC)C1 ZINC001246774738 804503921 /nfs/dbraw/zinc/50/39/21/804503921.db2.gz GNVJQMACHGAXIJ-SJORKVTESA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](CC)C1 ZINC001246774738 804503926 /nfs/dbraw/zinc/50/39/26/804503926.db2.gz GNVJQMACHGAXIJ-SJORKVTESA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@H+](Cc1ccccc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246773378 804504195 /nfs/dbraw/zinc/50/41/95/804504195.db2.gz BUQBEVJMTWUQOJ-GJZGRUSLSA-N 1 3 260.425 3.428 20 0 CGADHO CCC[N@@H+](Cc1ccccc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246773378 804504201 /nfs/dbraw/zinc/50/42/01/804504201.db2.gz BUQBEVJMTWUQOJ-GJZGRUSLSA-N 1 3 260.425 3.428 20 0 CGADHO CCCN(Cc1ccccc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246773378 804504209 /nfs/dbraw/zinc/50/42/09/804504209.db2.gz BUQBEVJMTWUQOJ-GJZGRUSLSA-N 1 3 260.425 3.428 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246774274 804504468 /nfs/dbraw/zinc/50/44/68/804504468.db2.gz FPDFHHNVODUYRX-QZTJIDSGSA-N 1 3 274.452 3.459 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246774274 804504473 /nfs/dbraw/zinc/50/44/73/804504473.db2.gz FPDFHHNVODUYRX-QZTJIDSGSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773622 804504628 /nfs/dbraw/zinc/50/46/28/804504628.db2.gz BVVVPSIVUFGVFK-CGTJXYLNSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246773622 804504631 /nfs/dbraw/zinc/50/46/31/804504631.db2.gz BVVVPSIVUFGVFK-CGTJXYLNSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246780417 804507481 /nfs/dbraw/zinc/50/74/81/804507481.db2.gz VNIQRLBQJGXXMA-OIISXLGYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246780417 804507485 /nfs/dbraw/zinc/50/74/85/804507485.db2.gz VNIQRLBQJGXXMA-OIISXLGYSA-N 1 3 258.409 3.007 20 0 CGADHO COc1ccc([C@@H]2CCCN2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246779944 804508684 /nfs/dbraw/zinc/50/86/84/804508684.db2.gz JPLOPUYHTKLCNO-LBTNJELSSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H]2CCC[N@@H+]2C2C[C@@H](C)N[C@H](C)C2)cc1 ZINC001246779944 804508686 /nfs/dbraw/zinc/50/86/86/804508686.db2.gz JPLOPUYHTKLCNO-LBTNJELSSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H]2CCC[N@H+]2C2C[C@@H](C)N[C@H](C)C2)cc1 ZINC001246779944 804508688 /nfs/dbraw/zinc/50/86/88/804508688.db2.gz JPLOPUYHTKLCNO-LBTNJELSSA-N 1 3 288.435 3.361 20 0 CGADHO Cc1ccc(CCN(C)[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001246812004 804528911 /nfs/dbraw/zinc/52/89/11/804528911.db2.gz BRUBYIZSLXSGDI-KRWDZBQOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[N@@H+](C)[C@H]2CCNC3(CCC3)C2)cc1 ZINC001246812004 804528915 /nfs/dbraw/zinc/52/89/15/804528915.db2.gz BRUBYIZSLXSGDI-KRWDZBQOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(CC[N@H+](C)[C@H]2CCNC3(CCC3)C2)cc1 ZINC001246812004 804528920 /nfs/dbraw/zinc/52/89/20/804528920.db2.gz BRUBYIZSLXSGDI-KRWDZBQOSA-N 1 3 272.436 3.144 20 0 CGADHO CCOc1ccc([C@H]2CCCN2[C@H]2CCC[NH2+]CC2)cc1 ZINC001246820026 804535478 /nfs/dbraw/zinc/53/54/78/804535478.db2.gz DUMOKPCMQPCHKU-FUHWJXTLSA-N 1 3 288.435 3.364 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246838865 804548431 /nfs/dbraw/zinc/54/84/31/804548431.db2.gz JITUDYPLIPMQCE-BARDWOONSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246838865 804548434 /nfs/dbraw/zinc/54/84/34/804548434.db2.gz JITUDYPLIPMQCE-BARDWOONSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850233 804560127 /nfs/dbraw/zinc/56/01/27/804560127.db2.gz INUPMCRATMKHEO-DUVNUKRYSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850233 804560132 /nfs/dbraw/zinc/56/01/32/804560132.db2.gz INUPMCRATMKHEO-DUVNUKRYSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850233 804560135 /nfs/dbraw/zinc/56/01/35/804560135.db2.gz INUPMCRATMKHEO-DUVNUKRYSA-N 1 3 278.827 3.270 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895189 804585525 /nfs/dbraw/zinc/58/55/25/804585525.db2.gz WKTYUPAJLLKABI-SJORKVTESA-N 1 3 274.452 3.470 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895189 804585527 /nfs/dbraw/zinc/58/55/27/804585527.db2.gz WKTYUPAJLLKABI-SJORKVTESA-N 1 3 274.452 3.470 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH+]1CCCNCCC1 ZINC001246909022 804593228 /nfs/dbraw/zinc/59/32/28/804593228.db2.gz YHVXYNWVNGLMLW-KRWDZBQOSA-N 1 3 260.425 3.083 20 0 CGADHO CCC[C@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246935614 804608819 /nfs/dbraw/zinc/60/88/19/804608819.db2.gz GPHMWAJSLBZXRL-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246935614 804608821 /nfs/dbraw/zinc/60/88/21/804608821.db2.gz GPHMWAJSLBZXRL-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CSCC[C@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246939783 804610941 /nfs/dbraw/zinc/61/09/41/804610941.db2.gz VHAQLFTYIMFMSJ-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO CSCC[C@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246939783 804610942 /nfs/dbraw/zinc/61/09/42/804610942.db2.gz VHAQLFTYIMFMSJ-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO COc1cccc(C2CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC001246944321 804612895 /nfs/dbraw/zinc/61/28/95/804612895.db2.gz WSDRRAOSLVZHBC-PBHICJAKSA-N 1 3 288.435 3.015 20 0 CGADHO COc1cccc(C2CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)c1 ZINC001246944321 804612898 /nfs/dbraw/zinc/61/28/98/804612898.db2.gz WSDRRAOSLVZHBC-PBHICJAKSA-N 1 3 288.435 3.015 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C2C[C@@H]3C=C[C@H](C2)N3)c1 ZINC001246941788 804612994 /nfs/dbraw/zinc/61/29/94/804612994.db2.gz BWTKIFLAAIFHFP-SWDXFRIISA-N 1 3 282.431 3.499 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCC[N@H+]2C2C[C@@H]3C=C[C@H](C2)N3)c1 ZINC001246941788 804612999 /nfs/dbraw/zinc/61/29/99/804612999.db2.gz BWTKIFLAAIFHFP-SWDXFRIISA-N 1 3 282.431 3.499 20 0 CGADHO CCc1ccc(C[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015213 804643470 /nfs/dbraw/zinc/64/34/70/804643470.db2.gz NKAXISPYISSLII-SNRMKQJTSA-N 1 3 286.463 3.254 20 0 CGADHO CC(C)[NH+]1CCC(NC(C)(C)c2ccccc2)CC1 ZINC001257201446 807059805 /nfs/dbraw/zinc/05/98/05/807059805.db2.gz CLKCFGGEUCVZAF-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CCC(CC)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001257291465 807089407 /nfs/dbraw/zinc/08/94/07/807089407.db2.gz RICYZBDNRWPOHU-UHFFFAOYSA-N 1 3 276.424 3.134 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC001258008701 807264076 /nfs/dbraw/zinc/26/40/76/807264076.db2.gz DYYNPLHYQQXKPZ-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH+]1C[C@@H]3CCC[C@H]3C1)C2 ZINC001167983302 807290988 /nfs/dbraw/zinc/29/09/88/807290988.db2.gz FIBWRARZLURHFP-SZNINPNASA-N 1 3 274.452 3.124 20 0 CGADHO CC1(F)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983839 807291301 /nfs/dbraw/zinc/29/13/01/807291301.db2.gz JMHDGYASOMCBDO-XYPWUTKMSA-N 1 3 280.431 3.216 20 0 CGADHO CC1(F)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983839 807291305 /nfs/dbraw/zinc/29/13/05/807291305.db2.gz JMHDGYASOMCBDO-XYPWUTKMSA-N 1 3 280.431 3.216 20 0 CGADHO CCOCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006967 807298901 /nfs/dbraw/zinc/29/89/01/807298901.db2.gz PZZJLVZDAXTXJM-ALXJQNPVSA-N 1 3 290.451 3.054 20 0 CGADHO CCOCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006967 807298903 /nfs/dbraw/zinc/29/89/03/807298903.db2.gz PZZJLVZDAXTXJM-ALXJQNPVSA-N 1 3 290.451 3.054 20 0 CGADHO CCOC(=O)CCC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258103962 807309926 /nfs/dbraw/zinc/30/99/26/807309926.db2.gz DVUANAQKYABXQZ-ZDUSSCGKSA-N 1 3 298.471 3.089 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(N3CCCC3)CC2)C[C@@H](C)C1 ZINC001258165070 807331091 /nfs/dbraw/zinc/33/10/91/807331091.db2.gz XRSBCGUHPDSPTC-QLPKVWCKSA-N 1 3 264.457 3.371 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C3C[C@H](C)C[C@@H](C)C3)C[C@@H]2C1 ZINC001258171268 807337751 /nfs/dbraw/zinc/33/77/51/807337751.db2.gz PRKMRBYIDDJSNZ-FPCVCCKLSA-N 1 3 264.457 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C3C[C@H](C)C[C@@H](C)C3)C[C@@H]2C1 ZINC001258171268 807337759 /nfs/dbraw/zinc/33/77/59/807337759.db2.gz PRKMRBYIDDJSNZ-FPCVCCKLSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001168188675 807339740 /nfs/dbraw/zinc/33/97/40/807339740.db2.gz LUECYKJKRGFCET-AWEZNQCLSA-N 1 3 292.854 3.299 20 0 CGADHO C[C@@H](Cc1ccco1)NC1CC[NH+](C2CCCC2)CC1 ZINC001258178701 807343763 /nfs/dbraw/zinc/34/37/63/807343763.db2.gz KOZWABRPHZSNIE-AWEZNQCLSA-N 1 3 276.424 3.207 20 0 CGADHO C[C@@H](Cc1ccco1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258178701 807343772 /nfs/dbraw/zinc/34/37/72/807343772.db2.gz KOZWABRPHZSNIE-AWEZNQCLSA-N 1 3 276.424 3.207 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1C1CCC([NH+](C)C)CC1 ZINC001168290651 807374761 /nfs/dbraw/zinc/37/47/61/807374761.db2.gz UWWPGQFLUCABGV-IYXRBSQSSA-N 1 3 286.423 3.101 20 0 CGADHO Fc1ccc([C@@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168360344 807394221 /nfs/dbraw/zinc/39/42/21/807394221.db2.gz OKUGNOMVLWIEFR-ZWKOTPCHSA-N 1 3 288.410 3.146 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C2CCN(CC3CC3)CC2)C2CC2)nc1 ZINC001168368139 807395437 /nfs/dbraw/zinc/39/54/37/807395437.db2.gz AUYZARVANRIEBH-IBGZPJMESA-N 1 3 299.462 3.305 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293695 807401863 /nfs/dbraw/zinc/40/18/63/807401863.db2.gz POQLLBYAJDWLGH-XHSDSOJGSA-N 1 3 264.457 3.229 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC001258293695 807401866 /nfs/dbraw/zinc/40/18/66/807401866.db2.gz POQLLBYAJDWLGH-XHSDSOJGSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@@H](C)CN ZINC001258306320 807404487 /nfs/dbraw/zinc/40/44/87/807404487.db2.gz NAOPLEOSDSSQNL-QWHCGFSZSA-N 1 3 284.469 3.254 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1N1CCCC1)C2 ZINC001169093147 807573756 /nfs/dbraw/zinc/57/37/56/807573756.db2.gz FVDPTSWLHZGVCH-BCDXTJNWSA-N 1 3 299.462 3.002 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001169100963 807575889 /nfs/dbraw/zinc/57/58/89/807575889.db2.gz NCBAASGWWMRHKP-LSPIHWNJSA-N 1 3 270.420 3.450 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100963 807575892 /nfs/dbraw/zinc/57/58/92/807575892.db2.gz NCBAASGWWMRHKP-LSPIHWNJSA-N 1 3 270.420 3.450 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001169099634 807576170 /nfs/dbraw/zinc/57/61/70/807576170.db2.gz CZQPWEGILSUYHN-BQJWPVKWSA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001169099634 807576177 /nfs/dbraw/zinc/57/61/77/807576177.db2.gz CZQPWEGILSUYHN-BQJWPVKWSA-N 1 3 290.838 3.411 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153940 807595896 /nfs/dbraw/zinc/59/58/96/807595896.db2.gz MQXUJQQYUGSTND-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153940 807595899 /nfs/dbraw/zinc/59/58/99/807595899.db2.gz MQXUJQQYUGSTND-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccccc1)C1CC1)C2 ZINC001169155261 807596479 /nfs/dbraw/zinc/59/64/79/807596479.db2.gz LUFSRFRYXMOKCX-PIIMJCKOSA-N 1 3 270.420 3.276 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccccc1)C1CC1)C2 ZINC001169155261 807596483 /nfs/dbraw/zinc/59/64/83/807596483.db2.gz LUFSRFRYXMOKCX-PIIMJCKOSA-N 1 3 270.420 3.276 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC001258880374 807662091 /nfs/dbraw/zinc/66/20/91/807662091.db2.gz ROCMDVMBQRXWKU-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO CCCC[N@H+](C)CCCN[C@@H](C)Cc1ccccc1OC ZINC001258880374 807662093 /nfs/dbraw/zinc/66/20/93/807662093.db2.gz ROCMDVMBQRXWKU-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@@H](C)Cc1ccccc1OC ZINC001258880374 807662094 /nfs/dbraw/zinc/66/20/94/807662094.db2.gz ROCMDVMBQRXWKU-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO CC(C)(C[NH3+])N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171057703 807975600 /nfs/dbraw/zinc/97/56/00/807975600.db2.gz FFDWNVFGDLNTKK-NSHDSACASA-N 1 3 287.234 3.178 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171098077 807982529 /nfs/dbraw/zinc/98/25/29/807982529.db2.gz BPWOWELNZAPZDI-DLBZAZTESA-N 1 3 292.854 3.271 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](CF)C2)CC1(C)C ZINC001171639779 808111021 /nfs/dbraw/zinc/11/10/21/808111021.db2.gz SUXIUBMILZKYBG-CYBMUJFWSA-N 1 3 270.436 3.319 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](CF)C2)CC1(C)C ZINC001171639779 808111028 /nfs/dbraw/zinc/11/10/28/808111028.db2.gz SUXIUBMILZKYBG-CYBMUJFWSA-N 1 3 270.436 3.319 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171774773 808135966 /nfs/dbraw/zinc/13/59/66/808135966.db2.gz DRIMTUKGTXNBDP-GDBMZVCRSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1Cc2cccc(F)c2C1 ZINC001171774773 808135969 /nfs/dbraw/zinc/13/59/69/808135969.db2.gz DRIMTUKGTXNBDP-GDBMZVCRSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1Cc2cccc(F)c2C1 ZINC001171774773 808135974 /nfs/dbraw/zinc/13/59/74/808135974.db2.gz DRIMTUKGTXNBDP-GDBMZVCRSA-N 1 3 290.426 3.147 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3cnccc31)C2 ZINC001172110518 808179091 /nfs/dbraw/zinc/17/90/91/808179091.db2.gz OARBBTGSMLXFCI-DFGXFYAUSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3cnccc31)C2 ZINC001172110518 808179094 /nfs/dbraw/zinc/17/90/94/808179094.db2.gz OARBBTGSMLXFCI-DFGXFYAUSA-N 1 3 285.435 3.064 20 0 CGADHO CC(C)[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172109390 808179193 /nfs/dbraw/zinc/17/91/93/808179193.db2.gz CYUYVZCSSJQMJB-XMTFNYHQSA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172109390 808179197 /nfs/dbraw/zinc/17/91/97/808179197.db2.gz CYUYVZCSSJQMJB-XMTFNYHQSA-N 1 3 287.451 3.384 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001172321645 808230470 /nfs/dbraw/zinc/23/04/70/808230470.db2.gz MWRHCGCGLIIFOD-SJORKVTESA-N 1 3 284.488 3.292 20 0 CGADHO CC[C@H](C)OCC[C@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172334740 808238156 /nfs/dbraw/zinc/23/81/56/808238156.db2.gz IICOEALCEMXVGZ-GJZGRUSLSA-N 1 3 282.472 3.174 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001172339261 808240020 /nfs/dbraw/zinc/24/00/20/808240020.db2.gz GBHUXWQJIPECPV-CAOSSQGBSA-N 1 3 270.461 3.043 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001173242572 808549944 /nfs/dbraw/zinc/54/99/44/808549944.db2.gz WEXMQNYLFFBHJB-MAUKXSAKSA-N 1 3 274.452 3.254 20 0 CGADHO CC[C@H]1CC[C@H](N2CCC([NH+]3CCC(OC)CC3)CC2)C1 ZINC001173283489 808584117 /nfs/dbraw/zinc/58/41/17/808584117.db2.gz LZTIOPBHVXHKEZ-RDJZCZTQSA-N 1 3 294.483 3.140 20 0 CGADHO CCSC[C@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001173293635 808593789 /nfs/dbraw/zinc/59/37/89/808593789.db2.gz CZXNKUONEIOCKD-AWEZNQCLSA-N 1 3 278.465 3.078 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@H]2CC1 ZINC001276264175 808997927 /nfs/dbraw/zinc/99/79/27/808997927.db2.gz FZXDYCJBTUXUJI-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)ccc3F)C[C@H]2CC1 ZINC001276264175 808997934 /nfs/dbraw/zinc/99/79/34/808997934.db2.gz FZXDYCJBTUXUJI-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001177742465 809818261 /nfs/dbraw/zinc/81/82/61/809818261.db2.gz IVOTWUPHYQFRHK-BZUAXINKSA-N 1 3 252.446 3.275 20 0 CGADHO CN(CCCc1ccc(F)c(F)c1)CCC[NH+]1CCCC1 ZINC001181235197 810043416 /nfs/dbraw/zinc/04/34/16/810043416.db2.gz RORASYLAAUQAQJ-UHFFFAOYSA-N 1 3 296.405 3.315 20 0 CGADHO C[N@H+](CC1CC1)C1CCN(C2CCCCC2)CC1 ZINC001201952479 811982206 /nfs/dbraw/zinc/98/22/06/811982206.db2.gz PYKYAKWNSSNBCG-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO C[N@@H+](CC1CC1)C1CCN(C2CCCCC2)CC1 ZINC001201952479 811982210 /nfs/dbraw/zinc/98/22/10/811982210.db2.gz PYKYAKWNSSNBCG-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CC(C)c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001204168409 812562290 /nfs/dbraw/zinc/56/22/90/812562290.db2.gz LJJFRAPITKOSOM-UHFFFAOYSA-N 1 3 272.436 3.338 20 0 CGADHO CC(C)(C)[N@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001204604217 812687662 /nfs/dbraw/zinc/68/76/62/812687662.db2.gz HNTZKQFDLXKXMW-UHFFFAOYSA-N 1 3 297.446 3.392 20 0 CGADHO CC(C)(C)[N@@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001204604217 812687667 /nfs/dbraw/zinc/68/76/67/812687667.db2.gz HNTZKQFDLXKXMW-UHFFFAOYSA-N 1 3 297.446 3.392 20 0 CGADHO c1ccc(CCCC2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC001204885378 812763065 /nfs/dbraw/zinc/76/30/65/812763065.db2.gz RUVYEPBITRAKRH-IBGZPJMESA-N 1 3 286.463 3.331 20 0 CGADHO Cc1cc(CN2CCC(C[NH3+])CC2)cc(C(F)(F)F)c1 ZINC001205047033 812837982 /nfs/dbraw/zinc/83/79/82/812837982.db2.gz NHXZYKMAPUJCPY-UHFFFAOYSA-N 1 3 286.341 3.185 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205110533 812870700 /nfs/dbraw/zinc/87/07/00/812870700.db2.gz VIMZXWDUAIVBAX-ZDUSSCGKSA-N 1 3 277.799 3.135 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205123909 812876734 /nfs/dbraw/zinc/87/67/34/812876734.db2.gz GYSIANJVHLUJOF-MRXNPFEDSA-N 1 3 276.424 3.095 20 0 CGADHO C[C@@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)C[C@H]1CN ZINC001205295976 812935573 /nfs/dbraw/zinc/93/55/73/812935573.db2.gz DTBBXJFOSKOMBP-IAGOWNOFSA-N 1 3 286.463 3.415 20 0 CGADHO C[C@@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@H]1CN ZINC001205295976 812935578 /nfs/dbraw/zinc/93/55/78/812935578.db2.gz DTBBXJFOSKOMBP-IAGOWNOFSA-N 1 3 286.463 3.415 20 0 CGADHO CC(C)c1cccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205316496 812949648 /nfs/dbraw/zinc/94/96/48/812949648.db2.gz KBWVMLAMPOKXNT-YOEHRIQHSA-N 1 3 260.425 3.227 20 0 CGADHO C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205601358 813017753 /nfs/dbraw/zinc/01/77/53/813017753.db2.gz DTVFJGMQAREDPX-WCQYABFASA-N 1 3 284.806 3.286 20 0 CGADHO COc1cccc(Cl)c1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205628840 813033541 /nfs/dbraw/zinc/03/35/41/813033541.db2.gz XBDKEPFMKVRHMZ-STQMWFEESA-N 1 3 296.842 3.155 20 0 CGADHO Cc1cc(F)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1 ZINC001205639167 813038941 /nfs/dbraw/zinc/03/89/41/813038941.db2.gz WTAZEGKTURFEBO-STQMWFEESA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc2ccsc2c1 ZINC001205913215 813129715 /nfs/dbraw/zinc/12/97/15/813129715.db2.gz HPPXZQLAYQASGO-WFASDCNBSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206004802 813162348 /nfs/dbraw/zinc/16/23/48/813162348.db2.gz VPFCYLDVLZMGEN-YPMHNXCESA-N 1 3 284.806 3.286 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206184609 813230060 /nfs/dbraw/zinc/23/00/60/813230060.db2.gz JBLYVKKWLKHMGM-HZPDHXFCSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206184609 813230064 /nfs/dbraw/zinc/23/00/64/813230064.db2.gz JBLYVKKWLKHMGM-HZPDHXFCSA-N 1 3 294.414 3.125 20 0 CGADHO COc1cccc(Cl)c1CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311455 813284109 /nfs/dbraw/zinc/28/41/09/813284109.db2.gz OWOXTBJVFKETTM-MRXNPFEDSA-N 1 3 296.842 3.300 20 0 CGADHO CCOc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC001206549678 813348532 /nfs/dbraw/zinc/34/85/32/813348532.db2.gz PUQLFOHCUWQLFI-SFHVURJKSA-N 1 3 290.451 3.345 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC001206549837 813349755 /nfs/dbraw/zinc/34/97/55/813349755.db2.gz QPAAJLBZGGPRPU-INIZCTEOSA-N 1 3 298.377 3.239 20 0 CGADHO CCc1cccc(C)c1C[N@@H+]1CCCC[C@H](CN)C1 ZINC001206639958 813383149 /nfs/dbraw/zinc/38/31/49/813383149.db2.gz HHHKOZOHCMZTFF-OAHLLOKOSA-N 1 3 260.425 3.118 20 0 CGADHO CCc1cccc(C)c1C[N@H+]1CCCC[C@H](CN)C1 ZINC001206639958 813383157 /nfs/dbraw/zinc/38/31/57/813383157.db2.gz HHHKOZOHCMZTFF-OAHLLOKOSA-N 1 3 260.425 3.118 20 0 CGADHO Clc1cccc(CC2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC001206703864 813402691 /nfs/dbraw/zinc/40/26/91/813402691.db2.gz OCSNFUBTZQNNLK-INIZCTEOSA-N 1 3 292.854 3.204 20 0 CGADHO CCCc1ccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206768986 813432111 /nfs/dbraw/zinc/43/21/11/813432111.db2.gz MEUKRSFGYIOQLC-WMLDXEAASA-N 1 3 260.425 3.198 20 0 CGADHO CCCc1ccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206768988 813432444 /nfs/dbraw/zinc/43/24/44/813432444.db2.gz MEUKRSFGYIOQLC-YOEHRIQHSA-N 1 3 260.425 3.198 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@@H](N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001207622554 813619270 /nfs/dbraw/zinc/61/92/70/813619270.db2.gz NCOZFTFMXCHTIM-ATLSCFEFSA-N 1 3 289.467 3.489 20 0 CGADHO COC1(CN(C)CC(C)(C)C[NH+](C)C)CCCCCC1 ZINC001207738634 813642179 /nfs/dbraw/zinc/64/21/79/813642179.db2.gz GREFABGYSXDZNH-UHFFFAOYSA-N 1 3 284.488 3.245 20 0 CGADHO CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001208172274 813726121 /nfs/dbraw/zinc/72/61/21/813726121.db2.gz AISRTGPRHFCKCE-HOTGVXAUSA-N 1 3 262.441 3.006 20 0 CGADHO CC[NH+]1CCC(CN2CCc3cc(Cl)ccc3C2)CC1 ZINC001208597532 813771977 /nfs/dbraw/zinc/77/19/77/813771977.db2.gz ITFVFEPHHOJDDH-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CN(CCc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208613127 813772899 /nfs/dbraw/zinc/77/28/99/813772899.db2.gz PNSRQZFPWVAIBG-OAHLLOKOSA-N 1 3 280.843 3.156 20 0 CGADHO CN(CCc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208613127 813772906 /nfs/dbraw/zinc/77/29/06/813772906.db2.gz PNSRQZFPWVAIBG-OAHLLOKOSA-N 1 3 280.843 3.156 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614963 813778086 /nfs/dbraw/zinc/77/80/86/813778086.db2.gz FZPHIJCJJCDSBE-OAHLLOKOSA-N 1 3 272.436 3.122 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614963 813778093 /nfs/dbraw/zinc/77/80/93/813778093.db2.gz FZPHIJCJJCDSBE-OAHLLOKOSA-N 1 3 272.436 3.122 20 0 CGADHO CN1CC=C(Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001208837103 813859918 /nfs/dbraw/zinc/85/99/18/813859918.db2.gz FVNWSGZNZXPFKF-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO Fc1ccc(CCCN2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222258899 816389584 /nfs/dbraw/zinc/38/95/84/816389584.db2.gz INDYTVQNKOFKHD-SFHVURJKSA-N 1 3 290.426 3.224 20 0 CGADHO COc1cc(C)cc(CN2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222314559 816405928 /nfs/dbraw/zinc/40/59/28/816405928.db2.gz HUGWADPTBNJFTQ-GOSISDBHSA-N 1 3 288.435 3.112 20 0 CGADHO C[NH2+]Cc1ccc(-c2cc3[nH]ccc3c(C)n2)cc1 ZINC001242990763 823200284 /nfs/dbraw/zinc/20/02/84/823200284.db2.gz TWLAAAOUUNSJPS-UHFFFAOYSA-N 1 3 251.333 3.258 20 0 CGADHO c1ccc(C2(C[N@@H+]3CC[C@H]4CNCC[C@H]43)CCCC2)cc1 ZINC001222616186 816479066 /nfs/dbraw/zinc/47/90/66/816479066.db2.gz ZCAXVNIPAGCXJC-FUHWJXTLSA-N 1 3 284.447 3.182 20 0 CGADHO c1ccc(C2(C[N@H+]3CC[C@H]4CNCC[C@H]43)CCCC2)cc1 ZINC001222616186 816479070 /nfs/dbraw/zinc/47/90/70/816479070.db2.gz ZCAXVNIPAGCXJC-FUHWJXTLSA-N 1 3 284.447 3.182 20 0 CGADHO CCCCc1ccc(CN2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620432 816480847 /nfs/dbraw/zinc/48/08/47/816480847.db2.gz RWJLRWMWASTYRO-ZWKOTPCHSA-N 1 3 272.436 3.213 20 0 CGADHO c1ccc(CCCCCN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234993027 818969871 /nfs/dbraw/zinc/96/98/71/818969871.db2.gz OEQISIZUCLXKHC-LJQANCHMSA-N 1 3 286.463 3.475 20 0 CGADHO C[C@@H](CCN1CC[C@@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032573 818984417 /nfs/dbraw/zinc/98/44/17/818984417.db2.gz RGLBLOHHUJMGQF-GOEBONIOSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1c(F)ccc(CN2CCC3(CC[NH2+]C3)CC2)c1Cl ZINC001235107201 819003843 /nfs/dbraw/zinc/00/38/43/819003843.db2.gz YHFRZYJVHSAKGP-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO N[C@@]12C[C@@H]1CC[N@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235165241 819019288 /nfs/dbraw/zinc/01/92/88/819019288.db2.gz HOQCVGFXGHSDMS-LSDHHAIUSA-N 1 3 298.352 3.061 20 0 CGADHO N[C@@]12C[C@@H]1CC[N@@H+](CCCc1cccc(C(F)(F)F)c1)C2 ZINC001235165241 819019291 /nfs/dbraw/zinc/01/92/91/819019291.db2.gz HOQCVGFXGHSDMS-LSDHHAIUSA-N 1 3 298.352 3.061 20 0 CGADHO C[C@H](C[N@@H+]1CCCCC12CCNCC2)c1ccccc1 ZINC001235191035 819028926 /nfs/dbraw/zinc/02/89/26/819028926.db2.gz NZWKOMCEIDCLDY-MRXNPFEDSA-N 1 3 272.436 3.398 20 0 CGADHO C[C@H](C[N@H+]1CCCCC12CCNCC2)c1ccccc1 ZINC001235191035 819028933 /nfs/dbraw/zinc/02/89/33/819028933.db2.gz NZWKOMCEIDCLDY-MRXNPFEDSA-N 1 3 272.436 3.398 20 0 CGADHO Cc1ccc(Cl)c(CN2CC[C@@H](C3C[NH2+]C3)C2)c1Cl ZINC001235342146 819072064 /nfs/dbraw/zinc/07/20/64/819072064.db2.gz TXMMMFMISMPNPR-LLVKDONJSA-N 1 3 299.245 3.343 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@@H](CF)[C@H](C3(N)CC3)C2)C1(C)C ZINC001235394205 819083168 /nfs/dbraw/zinc/08/31/68/819083168.db2.gz CHEGMMPMZJEQKO-BZUAXINKSA-N 1 3 294.458 3.378 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@@H](CF)[C@H](C3(N)CC3)C2)C1(C)C ZINC001235394205 819083173 /nfs/dbraw/zinc/08/31/73/819083173.db2.gz CHEGMMPMZJEQKO-BZUAXINKSA-N 1 3 294.458 3.378 20 0 CGADHO CC(C)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235400625 819085018 /nfs/dbraw/zinc/08/50/18/819085018.db2.gz DPXLEVSKIXVAKI-MSOLQXFVSA-N 1 3 290.426 3.334 20 0 CGADHO CC(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235400625 819085022 /nfs/dbraw/zinc/08/50/22/819085022.db2.gz DPXLEVSKIXVAKI-MSOLQXFVSA-N 1 3 290.426 3.334 20 0 CGADHO CN(Cc1ccc(Cl)c(F)c1F)CC1CC[NH2+]CC1 ZINC001235433021 819095701 /nfs/dbraw/zinc/09/57/01/819095701.db2.gz DNXBBCFRNUTYAB-UHFFFAOYSA-N 1 3 288.769 3.050 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc(C)cc(C)c2Cl)CC1 ZINC001235678888 819138769 /nfs/dbraw/zinc/13/87/69/819138769.db2.gz HVHBRPSWEBJFBH-UHFFFAOYSA-N 1 3 280.843 3.388 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)[C@H]1C ZINC001235695655 819145821 /nfs/dbraw/zinc/14/58/21/819145821.db2.gz YHKVUQWOXFISGF-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)[C@H]1C ZINC001235695655 819145823 /nfs/dbraw/zinc/14/58/23/819145823.db2.gz YHKVUQWOXFISGF-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)[C@@H]1C ZINC001235695657 819145854 /nfs/dbraw/zinc/14/58/54/819145854.db2.gz YHKVUQWOXFISGF-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)[C@@H]1C ZINC001235695657 819145856 /nfs/dbraw/zinc/14/58/56/819145856.db2.gz YHKVUQWOXFISGF-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO Cc1cccc(CN2CCC(C3CC[NH2+]CC3)CC2)c1F ZINC001235701865 819146896 /nfs/dbraw/zinc/14/68/96/819146896.db2.gz LTAUGKBZZMROHB-UHFFFAOYSA-N 1 3 290.426 3.346 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](N)CC[C@@H]2C)c2ccccc12 ZINC001235892075 819199828 /nfs/dbraw/zinc/19/98/28/819199828.db2.gz LJKZDWUXVSLYGY-HOCLYGCPSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](N)CC[C@@H]2C)c2ccccc12 ZINC001235892075 819199834 /nfs/dbraw/zinc/19/98/34/819199834.db2.gz LJKZDWUXVSLYGY-HOCLYGCPSA-N 1 3 268.404 3.460 20 0 CGADHO CC(C)=CCC[C@H](C)CCN1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981856 819258994 /nfs/dbraw/zinc/25/89/94/819258994.db2.gz XUXDRFZTTIGSIU-XHSDSOJGSA-N 1 3 250.430 3.182 20 0 CGADHO C[N@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCCC[C@@H]1N ZINC001236213136 819376723 /nfs/dbraw/zinc/37/67/23/819376723.db2.gz NQFQLPBRUICISF-IRXDYDNUSA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCCC[C@@H]1N ZINC001236213136 819376726 /nfs/dbraw/zinc/37/67/26/819376726.db2.gz NQFQLPBRUICISF-IRXDYDNUSA-N 1 3 284.403 3.247 20 0 CGADHO Cc1cccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c21 ZINC001236216560 819380723 /nfs/dbraw/zinc/38/07/23/819380723.db2.gz KBVITECBZAVCBM-GOEBONIOSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c21 ZINC001236216560 819380726 /nfs/dbraw/zinc/38/07/26/819380726.db2.gz KBVITECBZAVCBM-GOEBONIOSA-N 1 3 271.408 3.178 20 0 CGADHO CC(C)c1ccc(CN(C)C2(C)CC[NH2+]CC2)cc1 ZINC001236225068 819390566 /nfs/dbraw/zinc/39/05/66/819390566.db2.gz YYYGOKPAUNGVCO-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)c1ccc(C[N@H+](C)C2(C)CCNCC2)cc1 ZINC001236225068 819390571 /nfs/dbraw/zinc/39/05/71/819390571.db2.gz YYYGOKPAUNGVCO-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)c1ccc(C[N@@H+](C)C2(C)CCNCC2)cc1 ZINC001236225068 819390579 /nfs/dbraw/zinc/39/05/79/819390579.db2.gz YYYGOKPAUNGVCO-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CCCc1ccc(CN(C)C2(C)CC[NH2+]CC2)cc1 ZINC001236226427 819392031 /nfs/dbraw/zinc/39/20/31/819392031.db2.gz LHCIMXNQHAOZFL-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(C[N@H+](C)C2(C)CCNCC2)cc1 ZINC001236226427 819392040 /nfs/dbraw/zinc/39/20/40/819392040.db2.gz LHCIMXNQHAOZFL-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(C[N@@H+](C)C2(C)CCNCC2)cc1 ZINC001236226427 819392046 /nfs/dbraw/zinc/39/20/46/819392046.db2.gz LHCIMXNQHAOZFL-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCc1cccc2c(CN(CC)C[C@H]3CC[NH2+]C3)c[nH]c21 ZINC001236408049 819456207 /nfs/dbraw/zinc/45/62/07/819456207.db2.gz KLRBHRIGNFIINL-AWEZNQCLSA-N 1 3 285.435 3.162 20 0 CGADHO CCN(Cc1cccc2[nH]cc(Cl)c21)C[C@H]1CC[NH2+]C1 ZINC001236408404 819456225 /nfs/dbraw/zinc/45/62/25/819456225.db2.gz LLVBNCGDKZQLCG-LBPRGKRZSA-N 1 3 291.826 3.253 20 0 CGADHO CC(C)C[NH2+]Cc1ccc(-c2cc(N)ccn2)cc1 ZINC001236425225 819472865 /nfs/dbraw/zinc/47/28/65/819472865.db2.gz PAPOMUXCQRARJM-UHFFFAOYSA-N 1 3 255.365 3.076 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](CC1CC1)C1CCNCC1 ZINC001236518759 819512294 /nfs/dbraw/zinc/51/22/94/819512294.db2.gz WADQABXLWWOHOX-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](CC1CC1)C1CCNCC1 ZINC001236518759 819512300 /nfs/dbraw/zinc/51/23/00/819512300.db2.gz WADQABXLWWOHOX-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cc(F)ccc1CN(CC1CC1)C1CC[NH2+]CC1 ZINC001236518759 819512307 /nfs/dbraw/zinc/51/23/07/819512307.db2.gz WADQABXLWWOHOX-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO CCCN(CCc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236830346 819611840 /nfs/dbraw/zinc/61/18/40/819611840.db2.gz NHEYUROESDONCS-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCCN(Cc1ccc(C)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236834871 819614912 /nfs/dbraw/zinc/61/49/12/819614912.db2.gz JHWVHEGXVHDXNY-QGZVFWFLSA-N 1 3 260.425 3.125 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(C3CCC3)cc1)CC2 ZINC001237109298 819669880 /nfs/dbraw/zinc/66/98/80/819669880.db2.gz YXPUTXIRSJLIPY-UHFFFAOYSA-N 1 3 284.447 3.482 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237414961 819747498 /nfs/dbraw/zinc/74/74/98/819747498.db2.gz NQFYOJCTRKZWGD-WMZOPIPTSA-N 1 3 272.436 3.131 20 0 CGADHO CC(C)c1cccc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001237460292 819755494 /nfs/dbraw/zinc/75/54/94/819755494.db2.gz MRVVXVOXMPABQU-UHFFFAOYSA-N 1 3 272.436 3.338 20 0 CGADHO C[N@H+]1CC=C(c2ccc(F)c(CN3CCCC3)c2)CC1 ZINC001241332608 821739400 /nfs/dbraw/zinc/73/94/00/821739400.db2.gz MDJPKKUSKXWTIZ-UHFFFAOYSA-N 1 3 274.383 3.140 20 0 CGADHO C[N@@H+]1CC=C(c2ccc(F)c(CN3CCCC3)c2)CC1 ZINC001241332608 821739405 /nfs/dbraw/zinc/73/94/05/821739405.db2.gz MDJPKKUSKXWTIZ-UHFFFAOYSA-N 1 3 274.383 3.140 20 0 CGADHO CCN(CC)Cc1cc(C2=CC[N@H+](C)CC2)ccc1F ZINC001241332771 821739712 /nfs/dbraw/zinc/73/97/12/821739712.db2.gz OGYDWUMCGDHZFK-UHFFFAOYSA-N 1 3 276.399 3.386 20 0 CGADHO CCN(CC)Cc1cc(C2=CC[N@@H+](C)CC2)ccc1F ZINC001241332771 821739713 /nfs/dbraw/zinc/73/97/13/821739713.db2.gz OGYDWUMCGDHZFK-UHFFFAOYSA-N 1 3 276.399 3.386 20 0 CGADHO Cc1cccnc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC001342118037 936459974 /nfs/dbraw/zinc/45/99/74/936459974.db2.gz HCFVLKRKADFISZ-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1cccnc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC001342118037 936459976 /nfs/dbraw/zinc/45/99/76/936459976.db2.gz HCFVLKRKADFISZ-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2ncc(C)cc2C1 ZINC001167841791 927030503 /nfs/dbraw/zinc/03/05/03/927030503.db2.gz QWWXSINOEYQHLK-MRXNPFEDSA-N 1 3 289.467 3.259 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCCN(c3ccncc3)CC2)c1 ZINC001460306729 937525997 /nfs/dbraw/zinc/52/59/97/937525997.db2.gz YSWPKVWCJOVDOD-UHFFFAOYSA-N 1 3 295.430 3.411 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC001460306729 937525999 /nfs/dbraw/zinc/52/59/99/937525999.db2.gz YSWPKVWCJOVDOD-UHFFFAOYSA-N 1 3 295.430 3.411 20 0 CGADHO C[C@H](c1ccccc1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001460563641 937535299 /nfs/dbraw/zinc/53/52/99/937535299.db2.gz XZAIKEXSDUDOCK-OIISXLGYSA-N 1 3 258.409 3.021 20 0 CGADHO C[C@H](c1ccccc1)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001460563641 937535300 /nfs/dbraw/zinc/53/53/00/937535300.db2.gz XZAIKEXSDUDOCK-OIISXLGYSA-N 1 3 258.409 3.021 20 0 CGADHO CCCCC[C@H]1CCCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC001307949544 933025391 /nfs/dbraw/zinc/02/53/91/933025391.db2.gz HFQBSJZRNPVNMB-IRXDYDNUSA-N 1 3 284.488 3.122 20 0 CGADHO CCCCC[C@H]1CCCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307949544 933025396 /nfs/dbraw/zinc/02/53/96/933025396.db2.gz HFQBSJZRNPVNMB-IRXDYDNUSA-N 1 3 284.488 3.122 20 0 CGADHO C/C=C\C[C@@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC001307973535 933029665 /nfs/dbraw/zinc/02/96/65/933029665.db2.gz FIFHSUCYKUYSNQ-HQQUCIOCSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C\C[C@@H]1CCC[N@@H+](CCCN(CC)CC)C1 ZINC001307973535 933029669 /nfs/dbraw/zinc/02/96/69/933029669.db2.gz FIFHSUCYKUYSNQ-HQQUCIOCSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C\C[C@@H]1CCC[N@H+](CCCN(CC)CC)C1 ZINC001307973535 933029672 /nfs/dbraw/zinc/02/96/72/933029672.db2.gz FIFHSUCYKUYSNQ-HQQUCIOCSA-N 1 3 252.446 3.397 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2OC)C1 ZINC001308231788 933077258 /nfs/dbraw/zinc/07/72/58/933077258.db2.gz MIHIATVOOLRGPG-DIEDAUMRSA-N 1 3 288.435 3.030 20 0 CGADHO Cc1cnc2ccccc2c1NCC[NH+]1CCC(C)CC1 ZINC001318998121 933808248 /nfs/dbraw/zinc/80/82/48/933808248.db2.gz YCEJSYOMAYZMTL-UHFFFAOYSA-N 1 3 283.419 3.109 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC001319282202 933852269 /nfs/dbraw/zinc/85/22/69/933852269.db2.gz HNDZNQOBFLUKNV-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485284 934401841 /nfs/dbraw/zinc/40/18/41/934401841.db2.gz GMMMMKWQTWWGID-CXAGYDPISA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485284 934401843 /nfs/dbraw/zinc/40/18/43/934401843.db2.gz GMMMMKWQTWWGID-CXAGYDPISA-N 1 3 276.399 3.087 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC001323977236 934445291 /nfs/dbraw/zinc/44/52/91/934445291.db2.gz NBJRLMPNWZFSRU-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3OC)C1 ZINC001323977236 934445297 /nfs/dbraw/zinc/44/52/97/934445297.db2.gz NBJRLMPNWZFSRU-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3OC)C1 ZINC001323977236 934445298 /nfs/dbraw/zinc/44/52/98/934445298.db2.gz NBJRLMPNWZFSRU-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407006 934498184 /nfs/dbraw/zinc/49/81/84/934498184.db2.gz HQKNXLIPVPFJIQ-GDBMZVCRSA-N 1 3 292.471 3.155 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC001332361599 935462016 /nfs/dbraw/zinc/46/20/16/935462016.db2.gz PLCBCWROPBZRLC-OAHLLOKOSA-N 1 3 290.451 3.051 20 0 CGADHO Cc1cnc2ccccc2c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001332943960 935499006 /nfs/dbraw/zinc/49/90/06/935499006.db2.gz FQOAKKSVYCOHAL-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1cnc2ccccc2c1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001332943960 935499009 /nfs/dbraw/zinc/49/90/09/935499009.db2.gz FQOAKKSVYCOHAL-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)CCO1 ZINC001474108947 937840884 /nfs/dbraw/zinc/84/08/84/937840884.db2.gz LXYKSYFRAMXIRS-BBWFWOEESA-N 1 3 282.472 3.044 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317660 937850828 /nfs/dbraw/zinc/85/08/28/937850828.db2.gz IWKJPHRYHUMKPY-QAPCUYQASA-N 1 3 299.462 3.340 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317660 937850830 /nfs/dbraw/zinc/85/08/30/937850830.db2.gz IWKJPHRYHUMKPY-QAPCUYQASA-N 1 3 299.462 3.340 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC001474320780 937851604 /nfs/dbraw/zinc/85/16/04/937851604.db2.gz QFLVZTNLPZYEJR-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1C ZINC001474320780 937851606 /nfs/dbraw/zinc/85/16/06/937851606.db2.gz QFLVZTNLPZYEJR-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H](C)Cc1cccc(F)c1 ZINC001474612464 937870099 /nfs/dbraw/zinc/87/00/99/937870099.db2.gz IWLPFIKLMLJKCK-HNNXBMFYSA-N 1 3 280.431 3.324 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)Cc1cccc(F)c1 ZINC001474612464 937870100 /nfs/dbraw/zinc/87/01/00/937870100.db2.gz IWLPFIKLMLJKCK-HNNXBMFYSA-N 1 3 280.431 3.324 20 0 CGADHO FC1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC001553024367 938195839 /nfs/dbraw/zinc/19/58/39/938195839.db2.gz ZQUXCAYMPCDSDE-FJBKBRRZSA-N 1 3 268.420 3.025 20 0 CGADHO F[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001553024498 938195861 /nfs/dbraw/zinc/19/58/61/938195861.db2.gz GKXGLHZMMYZVBU-RKTXRCNFSA-N 1 3 282.447 3.273 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC001553291690 938198027 /nfs/dbraw/zinc/19/80/27/938198027.db2.gz JGOTVOVLMRPYKT-JHJVBQTASA-N 1 3 290.373 3.229 20 0 CGADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155912 938245465 /nfs/dbraw/zinc/24/54/65/938245465.db2.gz XSZZBJTUXKKYMI-LESCRADOSA-N 1 3 285.435 3.028 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155912 938245466 /nfs/dbraw/zinc/24/54/66/938245466.db2.gz XSZZBJTUXKKYMI-LESCRADOSA-N 1 3 285.435 3.028 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC001560155912 938245467 /nfs/dbraw/zinc/24/54/67/938245467.db2.gz XSZZBJTUXKKYMI-LESCRADOSA-N 1 3 285.435 3.028 20 0 CGADHO CC(C)N1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001560254802 938249467 /nfs/dbraw/zinc/24/94/67/938249467.db2.gz KZENVLPVAMSAAK-ONEGZZNKSA-N 1 3 294.389 3.440 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001561053570 938292297 /nfs/dbraw/zinc/29/22/97/938292297.db2.gz XFCUFCURQBZHOO-UVPYHEFZSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001257208512 960426505 /nfs/dbraw/zinc/42/65/05/960426505.db2.gz KKHZEDBVXIFINR-DLBZAZTESA-N 1 3 276.399 3.144 20 0 CGADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](N)C(C)C ZINC001574979594 962343598 /nfs/dbraw/zinc/34/35/98/962343598.db2.gz JVYOWQWNPSYKQJ-CEFACKQISA-N 1 3 298.377 3.264 20 0 CGADHO CC(C)(C)NCC[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC001575150218 962347798 /nfs/dbraw/zinc/34/77/98/962347798.db2.gz PTCCQVBTMJISAX-MRXNPFEDSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)[C@H](C[NH3+])CNCc1ccc(C(C)(F)F)cc1 ZINC001575421978 962374736 /nfs/dbraw/zinc/37/47/36/962374736.db2.gz DTLUVXFYZVMFQQ-CYBMUJFWSA-N 1 3 270.367 3.119 20 0 CGADHO CC(C)[C@@H](CN)C[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC001575423298 962377898 /nfs/dbraw/zinc/37/78/98/962377898.db2.gz RNNKERKLRRMMHY-DZKIICNBSA-N 1 3 254.462 3.269 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+]Cc1nc2c(s1)CNCC2 ZINC001575566499 962402225 /nfs/dbraw/zinc/40/22/25/962402225.db2.gz XFFYKQGXNBCMCW-LBPRGKRZSA-N 1 3 281.469 3.093 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC001575941063 962421173 /nfs/dbraw/zinc/42/11/73/962421173.db2.gz IEGJWAMUNMOSQI-VNHYZAJKSA-N 1 3 296.842 3.228 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(-c2cccs2)cc1 ZINC001575989392 962426117 /nfs/dbraw/zinc/42/61/17/962426117.db2.gz XINDUOIMZSYWIZ-LBPRGKRZSA-N 1 3 260.406 3.100 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001576117311 962440586 /nfs/dbraw/zinc/44/05/86/962440586.db2.gz MISJQDWPFSSYRA-OEAJRASXSA-N 1 3 294.389 3.095 20 0 CGADHO CC1(C)CC[C@@H](CN[C@@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421467 962454902 /nfs/dbraw/zinc/45/49/02/962454902.db2.gz LPNOKNMKZTWNIJ-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CN(Cc2cccc(C[NH3+])c2)Cc2ccccc2O1 ZINC001576457990 962463889 /nfs/dbraw/zinc/46/38/89/962463889.db2.gz SAILWSBQOFPVDZ-UHFFFAOYSA-N 1 3 296.414 3.319 20 0 CGADHO C[C@@]1(CN[C@H](C[NH3+])C2CCCCC2)CC1(Cl)Cl ZINC001576519878 962464222 /nfs/dbraw/zinc/46/42/22/962464222.db2.gz VMWJJEAWDZYXES-NEPJUHHUSA-N 1 3 279.255 3.068 20 0 CGADHO CC1CCC(C)(C[NH2+]Cc2nc3c(s2)CNCC3)CC1 ZINC001576646640 962476068 /nfs/dbraw/zinc/47/60/68/962476068.db2.gz FVCVRDQMQLNYDE-UHFFFAOYSA-N 1 3 293.480 3.095 20 0 CGADHO CC[C@H]1CCCC[C@H]1N(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254463 962518806 /nfs/dbraw/zinc/51/88/06/962518806.db2.gz LIUPQDQHFMPLCW-GXTWGEPZSA-N 1 3 293.480 3.189 20 0 CGADHO Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC001579697087 962654834 /nfs/dbraw/zinc/65/48/34/962654834.db2.gz WJWOMTDRTYQJSF-DZGCQCFKSA-N 1 3 266.816 3.256 20 0 CGADHO Cc1ccc([C@@H](C)N(C)CCC2([NH3+])CCOCC2)c(C)c1 ZINC001579667786 962657764 /nfs/dbraw/zinc/65/77/64/962657764.db2.gz RUXGLPKBUQESDS-MRXNPFEDSA-N 1 3 290.451 3.194 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000337463006 214097930 /nfs/dbraw/zinc/09/79/30/214097930.db2.gz KXHZAEPUBSIOJG-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO CN(CCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000125274013 187176913 /nfs/dbraw/zinc/17/69/13/187176913.db2.gz JKWHWIYGDWFXBO-XYPWUTKMSA-N 1 3 250.430 3.172 20 0 CGADHO N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784058 349586439 /nfs/dbraw/zinc/58/64/39/349586439.db2.gz JAKGDHXLGATLDG-XZJROXQQSA-N 1 3 276.811 3.141 20 0 CGADHO N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784058 349586444 /nfs/dbraw/zinc/58/64/44/349586444.db2.gz JAKGDHXLGATLDG-XZJROXQQSA-N 1 3 276.811 3.141 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000651741413 398279343 /nfs/dbraw/zinc/27/93/43/398279343.db2.gz JGRYUANGXCUZER-IRXDYDNUSA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000651741413 398279344 /nfs/dbraw/zinc/27/93/44/398279344.db2.gz JGRYUANGXCUZER-IRXDYDNUSA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741413 398279345 /nfs/dbraw/zinc/27/93/45/398279345.db2.gz JGRYUANGXCUZER-IRXDYDNUSA-N 1 3 298.515 3.395 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)CC1 ZINC000651785946 398287285 /nfs/dbraw/zinc/28/72/85/398287285.db2.gz ADZHKFUXWSLMIJ-QGZVFWFLSA-N 1 3 272.436 3.091 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC000651785946 398287287 /nfs/dbraw/zinc/28/72/87/398287287.db2.gz ADZHKFUXWSLMIJ-QGZVFWFLSA-N 1 3 272.436 3.091 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651808427 398290574 /nfs/dbraw/zinc/29/05/74/398290574.db2.gz QRCQGEPDDQQFLW-OAGGEKHMSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423480549 529453517 /nfs/dbraw/zinc/45/35/17/529453517.db2.gz WFAOQTYILNLHSI-JKSUJKDBSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@@H](CCO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449156164 529470743 /nfs/dbraw/zinc/47/07/43/529470743.db2.gz CSLJJKQQNJAOKN-HNNXBMFYSA-N 1 3 298.515 3.416 20 0 CGADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)c1cccs1 ZINC000423321937 529622191 /nfs/dbraw/zinc/62/21/91/529622191.db2.gz GQDBVKQKQBBCEY-GXTWGEPZSA-N 1 3 252.427 3.179 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000423368114 529657423 /nfs/dbraw/zinc/65/74/23/529657423.db2.gz CZBRHQQIEWKSJM-FMKPAKJESA-N 1 3 276.424 3.314 20 0 CGADHO CN1CC[C@@H]([NH2+][C@@H]2CSc3ccccc32)CC1(C)C ZINC000623424377 349804636 /nfs/dbraw/zinc/80/46/36/349804636.db2.gz PAGWNGREHCBYBF-TZMCWYRMSA-N 1 3 276.449 3.296 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623607072 349848261 /nfs/dbraw/zinc/84/82/61/349848261.db2.gz VSSCMRAMPIZSRW-MHORFTMASA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623607072 349848262 /nfs/dbraw/zinc/84/82/62/349848262.db2.gz VSSCMRAMPIZSRW-MHORFTMASA-N 1 3 284.447 3.395 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000623657782 349859395 /nfs/dbraw/zinc/85/93/95/349859395.db2.gz YZDFJGWRJPNOGA-CSPWOOARSA-N 1 3 294.389 3.300 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000623656825 349858022 /nfs/dbraw/zinc/85/80/22/349858022.db2.gz CPHWQFAMDQJHOJ-HUUCEWRRSA-N 1 3 278.415 3.251 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000623656954 349858288 /nfs/dbraw/zinc/85/82/88/349858288.db2.gz GRTHLXQUFBHMFU-NJAFHUGGSA-N 1 3 272.436 3.112 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(F)c(Cl)c2)C1 ZINC000351588363 219135530 /nfs/dbraw/zinc/13/55/30/219135530.db2.gz HJFFNHLEPLBELF-ZDUSSCGKSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(F)c(Cl)c2)C1 ZINC000351588363 219135532 /nfs/dbraw/zinc/13/55/32/219135532.db2.gz HJFFNHLEPLBELF-ZDUSSCGKSA-N 1 3 284.806 3.253 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000423281888 529999455 /nfs/dbraw/zinc/99/94/55/529999455.db2.gz VWCVEAZBBQUTRY-RDJZCZTQSA-N 1 3 262.441 3.007 20 0 CGADHO CCC1(CC)CCC([NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000423074773 282350541 /nfs/dbraw/zinc/35/05/41/282350541.db2.gz VFPGBZSCGICCPA-CWRNSKLLSA-N 1 3 282.472 3.077 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037649416 344951897 /nfs/dbraw/zinc/95/18/97/344951897.db2.gz ZMBWCOGXWSTDPR-HUUCEWRRSA-N 1 3 288.435 3.139 20 0 CGADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@H](CN)C2)c(C)c1 ZINC000044527667 345012404 /nfs/dbraw/zinc/01/24/04/345012404.db2.gz QRRSULBZKRZEJD-HZPDHXFCSA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc(C)c([C@@H](C)[N@H+]2CCC[C@H](CN)C2)c(C)c1 ZINC000044527667 345012408 /nfs/dbraw/zinc/01/24/08/345012408.db2.gz QRRSULBZKRZEJD-HZPDHXFCSA-N 1 3 260.425 3.344 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000044534853 345013168 /nfs/dbraw/zinc/01/31/68/345013168.db2.gz ZWEVSYUYKZRIKU-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534853 345013171 /nfs/dbraw/zinc/01/31/71/345013171.db2.gz ZWEVSYUYKZRIKU-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)Oc1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000070187452 345389698 /nfs/dbraw/zinc/38/96/98/345389698.db2.gz COKOZIHQTHYLQJ-UHFFFAOYSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N(C)CCC[NH+]1CCCCC1 ZINC000161627558 232250454 /nfs/dbraw/zinc/25/04/54/232250454.db2.gz WQAKGLPHHLCYLE-MRXNPFEDSA-N 1 3 290.451 3.131 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@H]1CCC[N@@H+](C)C1 ZINC000108428195 345937567 /nfs/dbraw/zinc/93/75/67/345937567.db2.gz MRSCCJHSZDMJCS-GSPCDJLXSA-N 1 3 258.409 3.021 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@H]1CCC[N@H+](C)C1 ZINC000108428195 345937569 /nfs/dbraw/zinc/93/75/69/345937569.db2.gz MRSCCJHSZDMJCS-GSPCDJLXSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000251722892 346389423 /nfs/dbraw/zinc/38/94/23/346389423.db2.gz KBBKJRIZVKSTGR-BZUAXINKSA-N 1 3 252.446 3.275 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193911053 232499539 /nfs/dbraw/zinc/49/95/39/232499539.db2.gz QXMCYVRXPYSPEY-IRXDYDNUSA-N 1 3 292.492 3.382 20 0 CGADHO C[NH+](C)[C@H]1CCC[C@H](NCCSCc2ccccc2)C1 ZINC000193911053 232499541 /nfs/dbraw/zinc/49/95/41/232499541.db2.gz QXMCYVRXPYSPEY-IRXDYDNUSA-N 1 3 292.492 3.382 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000624122220 349979989 /nfs/dbraw/zinc/97/99/89/349979989.db2.gz MOXKHNIQCQNMJY-MXWWQKGMSA-N 1 3 290.426 3.393 20 0 CGADHO C(CN1CCC(C[NH+]2CCCCCC2)CC1)OCC1CC1 ZINC000607726616 348258154 /nfs/dbraw/zinc/25/81/54/348258154.db2.gz DEBWZTRAJYOECM-UHFFFAOYSA-N 1 3 294.483 3.001 20 0 CGADHO CCc1ccccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339436273 215171272 /nfs/dbraw/zinc/17/12/72/215171272.db2.gz GHNKYHYRBXBCGX-GOSISDBHSA-N 1 3 272.436 3.167 20 0 CGADHO CCc1ccccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339436273 215171274 /nfs/dbraw/zinc/17/12/74/215171274.db2.gz GHNKYHYRBXBCGX-GOSISDBHSA-N 1 3 272.436 3.167 20 0 CGADHO CSc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000358035167 233043513 /nfs/dbraw/zinc/04/35/13/233043513.db2.gz NKSMSSPVNFXLGE-GDBMZVCRSA-N 1 3 290.476 3.325 20 0 CGADHO CSc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000358035167 233043515 /nfs/dbraw/zinc/04/35/15/233043515.db2.gz NKSMSSPVNFXLGE-GDBMZVCRSA-N 1 3 290.476 3.325 20 0 CGADHO Cn1cccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644421 348624845 /nfs/dbraw/zinc/62/48/45/348624845.db2.gz ISPJGNXIQVBUSX-UHFFFAOYSA-N 1 3 289.467 3.113 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213170 191004426 /nfs/dbraw/zinc/00/44/26/191004426.db2.gz VLIBJZBBKRVTHU-WBVHZDCISA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000271213170 191004429 /nfs/dbraw/zinc/00/44/29/191004429.db2.gz VLIBJZBBKRVTHU-WBVHZDCISA-N 1 3 290.451 3.166 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280704 191047397 /nfs/dbraw/zinc/04/73/97/191047397.db2.gz MAJNCBKOLJKADK-RDJZCZTQSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280704 191047400 /nfs/dbraw/zinc/04/74/00/191047400.db2.gz MAJNCBKOLJKADK-RDJZCZTQSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280704 191047401 /nfs/dbraw/zinc/04/74/01/191047401.db2.gz MAJNCBKOLJKADK-RDJZCZTQSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280704 191047404 /nfs/dbraw/zinc/04/74/04/191047404.db2.gz MAJNCBKOLJKADK-RDJZCZTQSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000628425717 350536686 /nfs/dbraw/zinc/53/66/86/350536686.db2.gz SOVUZLAGBMDKIP-KRWDZBQOSA-N 1 3 290.451 3.167 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000629531436 350703719 /nfs/dbraw/zinc/70/37/19/350703719.db2.gz LBKDKNPVVUCUQM-NXOAAHMSSA-N 1 3 282.472 3.220 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629546223 350709166 /nfs/dbraw/zinc/70/91/66/350709166.db2.gz FXWMVTYIYHJCFD-RWSFTLGLSA-N 1 3 266.816 3.433 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629549788 350711066 /nfs/dbraw/zinc/71/10/66/350711066.db2.gz ICTIVQXGPSMKPA-QZTJIDSGSA-N 1 3 295.430 3.356 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556738 350713107 /nfs/dbraw/zinc/71/31/07/350713107.db2.gz XIPBXPLQSTWCBO-RBSFLKMASA-N 1 3 264.800 3.187 20 0 CGADHO CC(C)C[C@H](C)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564516 350714230 /nfs/dbraw/zinc/71/42/30/350714230.db2.gz SFQCNKOWBFKBIJ-YNEHKIRRSA-N 1 3 280.378 3.128 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000629514789 350699847 /nfs/dbraw/zinc/69/98/47/350699847.db2.gz OWADREFJXWVFDD-NCOADZHNSA-N 1 3 272.436 3.286 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629514789 350699851 /nfs/dbraw/zinc/69/98/51/350699851.db2.gz OWADREFJXWVFDD-NCOADZHNSA-N 1 3 272.436 3.286 20 0 CGADHO C[C@]12C[NH2+]C[C@@]1(C)CN([C@H]1CCCc3ccc(F)cc31)C2 ZINC000629593171 350716167 /nfs/dbraw/zinc/71/61/67/350716167.db2.gz HCOCHAYWZYUTFE-OKZBNKHCSA-N 1 3 288.410 3.135 20 0 CGADHO CC[C@H](CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629664562 350733447 /nfs/dbraw/zinc/73/34/47/350733447.db2.gz LBLSTARHCUXYCS-NXHRZFHOSA-N 1 3 272.436 3.112 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000634733721 351579538 /nfs/dbraw/zinc/57/95/38/351579538.db2.gz LZOIMFOXMQZXFB-BBWFWOEESA-N 1 3 272.436 3.158 20 0 CGADHO N[C@@H](CC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000635005072 351622725 /nfs/dbraw/zinc/62/27/25/351622725.db2.gz LQUONVRZCQDFFF-INIZCTEOSA-N 1 3 260.425 3.259 20 0 CGADHO c1cc(C[NH2+][C@H]2CCC23CCCC3)c2c(c1)CNCC2 ZINC000635009607 351627044 /nfs/dbraw/zinc/62/70/44/351627044.db2.gz IMTXKULCWCTVLL-KRWDZBQOSA-N 1 3 270.420 3.145 20 0 CGADHO CC(C)[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009517 351627296 /nfs/dbraw/zinc/62/72/96/351627296.db2.gz VULFHJOYKNRMBM-OALUTQOASA-N 1 3 297.446 3.328 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000635012070 351630727 /nfs/dbraw/zinc/63/07/27/351630727.db2.gz JAVKDFDPXWBDCX-VXGBXAGGSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc2[nH]ccc21 ZINC000635012003 351630970 /nfs/dbraw/zinc/63/09/70/351630970.db2.gz IQDQJQXSJHLJFE-KUHUBIRLSA-N 1 3 293.414 3.216 20 0 CGADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccs1 ZINC000635016474 351631907 /nfs/dbraw/zinc/63/19/07/351631907.db2.gz BWMXDQGVWAYOPR-GFCCVEGCSA-N 1 3 272.417 3.245 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635015352 351632045 /nfs/dbraw/zinc/63/20/45/351632045.db2.gz AFXXUDMNLDTUGU-HXUWFJFHSA-N 1 3 292.426 3.500 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000121809729 186997296 /nfs/dbraw/zinc/99/72/96/186997296.db2.gz LGBASMMNIQCPDF-HNNXBMFYSA-N 1 3 292.471 3.237 20 0 CGADHO C(=C/C[N@@H+]1CCC2(CCC2)C1)\CN1CCC2(CCC2)C1 ZINC000122952370 187062061 /nfs/dbraw/zinc/06/20/61/187062061.db2.gz HJTOBFQDIRPIMX-OWOJBTEDSA-N 1 3 274.452 3.295 20 0 CGADHO C(=C/C[N@H+]1CCC2(CCC2)C1)\CN1CCC2(CCC2)C1 ZINC000122952370 187062062 /nfs/dbraw/zinc/06/20/62/187062062.db2.gz HJTOBFQDIRPIMX-OWOJBTEDSA-N 1 3 274.452 3.295 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363795111 234000197 /nfs/dbraw/zinc/00/01/97/234000197.db2.gz YAQWVBKLJJIQKW-OIISXLGYSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363795111 234000201 /nfs/dbraw/zinc/00/02/01/234000201.db2.gz YAQWVBKLJJIQKW-OIISXLGYSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000363795111 234000203 /nfs/dbraw/zinc/00/02/03/234000203.db2.gz YAQWVBKLJJIQKW-OIISXLGYSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141269 198179631 /nfs/dbraw/zinc/17/96/31/198179631.db2.gz MKSCYZVNZXWXSH-DOTOQJQBSA-N 1 3 258.409 3.084 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141269 198179633 /nfs/dbraw/zinc/17/96/33/198179633.db2.gz MKSCYZVNZXWXSH-DOTOQJQBSA-N 1 3 258.409 3.084 20 0 CGADHO CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292257159 198221172 /nfs/dbraw/zinc/22/11/72/198221172.db2.gz YGXDQQVNKHHVBI-SFHVURJKSA-N 1 3 288.435 3.001 20 0 CGADHO CC(C)Oc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292257159 198221174 /nfs/dbraw/zinc/22/11/74/198221174.db2.gz YGXDQQVNKHHVBI-SFHVURJKSA-N 1 3 288.435 3.001 20 0 CGADHO Fc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000344031278 283003256 /nfs/dbraw/zinc/00/32/56/283003256.db2.gz HFWHQXISVWDFNJ-ACJLOTCBSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031278 283003258 /nfs/dbraw/zinc/00/32/58/283003258.db2.gz HFWHQXISVWDFNJ-ACJLOTCBSA-N 1 3 288.410 3.277 20 0 CGADHO CC(C)C(O)C[NH2+]C(c1ccc(F)cc1)C1CCC1 ZINC000340288266 215526989 /nfs/dbraw/zinc/52/69/89/215526989.db2.gz MJUXGWKBFYECNH-CVEARBPZSA-N 1 3 265.372 3.273 20 0 CGADHO C[NH+](C)CCC1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411190239 235035712 /nfs/dbraw/zinc/03/57/12/235035712.db2.gz NPPTVBPFLLGXRG-ZWKOTPCHSA-N 1 3 290.426 3.345 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271847011 191365320 /nfs/dbraw/zinc/36/53/20/191365320.db2.gz HYDFFZOCDQKVSN-LBPRGKRZSA-N 1 3 294.826 3.261 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271847011 191365323 /nfs/dbraw/zinc/36/53/23/191365323.db2.gz HYDFFZOCDQKVSN-LBPRGKRZSA-N 1 3 294.826 3.261 20 0 CGADHO CCOc1ccccc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414194240 235361007 /nfs/dbraw/zinc/36/10/07/235361007.db2.gz UNPQVBQVPWEJFR-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO CCOc1ccccc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194240 235361008 /nfs/dbraw/zinc/36/10/08/235361008.db2.gz UNPQVBQVPWEJFR-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccccc1-c1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000414872874 235486848 /nfs/dbraw/zinc/48/68/48/235486848.db2.gz GKHXHDHYKRYSCN-CQSZACIVSA-N 1 3 284.403 3.047 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccco1 ZINC000293709924 198741418 /nfs/dbraw/zinc/74/14/18/198741418.db2.gz MRZFGRNSLKGCOJ-CQSZACIVSA-N 1 3 250.386 3.196 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420380997 235745406 /nfs/dbraw/zinc/74/54/06/235745406.db2.gz ROOCRCZHNISRGJ-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000091287743 138343942 /nfs/dbraw/zinc/34/39/42/138343942.db2.gz VSCXNABHMALWET-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO CC[C@H](NCC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126229136 138385632 /nfs/dbraw/zinc/38/56/32/138385632.db2.gz VCKMCNJQVVNKEG-INIZCTEOSA-N 1 3 282.378 3.347 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422791410 235920908 /nfs/dbraw/zinc/92/09/08/235920908.db2.gz YIVWWDHOQPUFOQ-UWWQBHOKSA-N 1 3 290.451 3.296 20 0 CGADHO Cc1ccc(OCCCCN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422894071 235938751 /nfs/dbraw/zinc/93/87/51/235938751.db2.gz BNAJTRLAKIYSFF-AEFFLSMTSA-N 1 3 290.451 3.274 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CNC1 ZINC000423175187 235987473 /nfs/dbraw/zinc/98/74/73/235987473.db2.gz DIAVUHBEUZMUDN-NORZTCDRSA-N 1 3 278.827 3.174 20 0 CGADHO Cc1nc(-c2cc([C@@H](C)NC[C@H](C)C[NH3+])cs2)cs1 ZINC000423295822 236028059 /nfs/dbraw/zinc/02/80/59/236028059.db2.gz FVCJXZPFNSCPGQ-NXEZZACHSA-N 1 3 295.477 3.425 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423321074 236037917 /nfs/dbraw/zinc/03/79/17/236037917.db2.gz GBCAZZCPQPBVMQ-JSGCOSHPSA-N 1 3 252.427 3.097 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423321074 236037919 /nfs/dbraw/zinc/03/79/19/236037919.db2.gz GBCAZZCPQPBVMQ-JSGCOSHPSA-N 1 3 252.427 3.097 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423321112 236038021 /nfs/dbraw/zinc/03/80/21/236038021.db2.gz MSEHPZCPGDPIHJ-ZFWWWQNUSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CC[C@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423321112 236038024 /nfs/dbraw/zinc/03/80/24/236038024.db2.gz MSEHPZCPGDPIHJ-ZFWWWQNUSA-N 1 3 298.352 3.151 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423327734 236040296 /nfs/dbraw/zinc/04/02/96/236040296.db2.gz DFWXIQMZQZPYSV-LEUOFYLZSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423348227 236046394 /nfs/dbraw/zinc/04/63/94/236046394.db2.gz SJNAZTXGBPUATE-NSHDSACASA-N 1 3 284.325 3.276 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423392234 236061149 /nfs/dbraw/zinc/06/11/49/236061149.db2.gz LMHKPAIFDWZMHZ-ZRGWGRIASA-N 1 3 295.430 3.397 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423406954 236066067 /nfs/dbraw/zinc/06/60/67/236066067.db2.gz ZNWQGKVSXMPCRD-OAHLLOKOSA-N 1 3 280.415 3.319 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000424335846 236152142 /nfs/dbraw/zinc/15/21/42/236152142.db2.gz PLJRMZYRZXQLRK-HUUCEWRRSA-N 1 3 289.810 3.248 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cncs1 ZINC000157921424 299289304 /nfs/dbraw/zinc/28/93/04/299289304.db2.gz HIIDCQPZJRTKCK-KGLIPLIRSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cncs1 ZINC000157921424 299289309 /nfs/dbraw/zinc/28/93/09/299289309.db2.gz HIIDCQPZJRTKCK-KGLIPLIRSA-N 1 3 281.469 3.306 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423144458 283513266 /nfs/dbraw/zinc/51/32/66/283513266.db2.gz GYUCGYDRFUCNDD-HPEXNQPKSA-N 1 3 280.362 3.059 20 0 CGADHO C[C@H]([NH2+]CC1CCC1)c1cccc(OCCN(C)C)c1 ZINC000177774441 189068678 /nfs/dbraw/zinc/06/86/78/189068678.db2.gz GIIHWKZJSZEMSR-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cc2ccccc2s1 ZINC000423126109 296020939 /nfs/dbraw/zinc/02/09/39/296020939.db2.gz ARFOAVNFRZSLCX-NEPJUHHUSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cc2ccccc2s1 ZINC000423126109 296020940 /nfs/dbraw/zinc/02/09/40/296020940.db2.gz ARFOAVNFRZSLCX-NEPJUHHUSA-N 1 3 262.422 3.159 20 0 CGADHO CC(C)Oc1ccccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342095693 216217152 /nfs/dbraw/zinc/21/71/52/216217152.db2.gz YQWOIHYOSQOSNW-XIRDDKMYSA-N 1 3 288.435 3.033 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082900 239166287 /nfs/dbraw/zinc/16/62/87/239166287.db2.gz QOVUNAYGJNGJDI-JLZZUVOBSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082900 239166291 /nfs/dbraw/zinc/16/62/91/239166291.db2.gz QOVUNAYGJNGJDI-JLZZUVOBSA-N 1 3 294.389 3.285 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302135905 201357291 /nfs/dbraw/zinc/35/72/91/201357291.db2.gz AZTNUKHLCVFJQA-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(c2ccnc3ccc(C)cc32)C1 ZINC000302135905 201357293 /nfs/dbraw/zinc/35/72/93/201357293.db2.gz AZTNUKHLCVFJQA-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1cccc(CC[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000449326809 239316270 /nfs/dbraw/zinc/31/62/70/239316270.db2.gz ZGYHVVGWSMBXDL-IBGZPJMESA-N 1 3 286.463 3.201 20 0 CGADHO Cc1cccc(CC[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000449326809 239316276 /nfs/dbraw/zinc/31/62/76/239316276.db2.gz ZGYHVVGWSMBXDL-IBGZPJMESA-N 1 3 286.463 3.201 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC(C)(C)CO)CC1 ZINC000449406441 239390305 /nfs/dbraw/zinc/39/03/05/239390305.db2.gz AULRAMDBHPATIF-RDJZCZTQSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]([NH2+]CCCC1CC1)c1cccc(OCCN(C)C)c1 ZINC000537973210 288556168 /nfs/dbraw/zinc/55/61/68/288556168.db2.gz ZAEAUWWIJJKDMJ-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000089141412 299366947 /nfs/dbraw/zinc/36/69/47/299366947.db2.gz KHYOFTBBNFVQOG-NJZAAPMLSA-N 1 3 298.377 3.456 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CCC(F)(F)CC1 ZINC000423285515 299369431 /nfs/dbraw/zinc/36/94/31/299369431.db2.gz YLXRJYHHDHQZFM-FPMFFAJLSA-N 1 3 274.399 3.308 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(Cl)c1 ZINC000424336792 299370654 /nfs/dbraw/zinc/37/06/54/299370654.db2.gz QZCQMCXASLDAEO-ZLKJLUDKSA-N 1 3 252.789 3.261 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccccc2Cl)C1 ZINC000459721819 242192601 /nfs/dbraw/zinc/19/26/01/242192601.db2.gz AZBMXZBXIPNOMM-ZDUSSCGKSA-N 1 3 266.816 3.162 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccccc2Cl)C1 ZINC000459721819 242192606 /nfs/dbraw/zinc/19/26/06/242192606.db2.gz AZBMXZBXIPNOMM-ZDUSSCGKSA-N 1 3 266.816 3.162 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCCNC1 ZINC000414828004 296113590 /nfs/dbraw/zinc/11/35/90/296113590.db2.gz YRRYPQDGYDRBJD-IALDZJHCSA-N 1 3 278.362 3.085 20 0 CGADHO COC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CCCC1 ZINC000480310284 243144471 /nfs/dbraw/zinc/14/44/71/243144471.db2.gz NWNHSKJBKHKAGC-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO COC1(CNC2CC[NH+](CC3CCCC3)CC2)CCCC1 ZINC000480310284 243144480 /nfs/dbraw/zinc/14/44/80/243144480.db2.gz NWNHSKJBKHKAGC-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)(C)c1ccccc1 ZINC000423330418 296130333 /nfs/dbraw/zinc/13/03/33/296130333.db2.gz NRTZQOWBKRDSJX-QAPCUYQASA-N 1 3 274.452 3.332 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]CCCN1CCCC[C@H]1C ZINC000035450937 369002561 /nfs/dbraw/zinc/00/25/61/369002561.db2.gz SQJUPKJVEOBVJZ-JKSUJKDBSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@@H](CCc1ccco1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000035450937 369002567 /nfs/dbraw/zinc/00/25/67/369002567.db2.gz SQJUPKJVEOBVJZ-JKSUJKDBSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@@H](CCc1ccco1)NCCC[N@H+]1CCCC[C@H]1C ZINC000035450937 369002572 /nfs/dbraw/zinc/00/25/72/369002572.db2.gz SQJUPKJVEOBVJZ-JKSUJKDBSA-N 1 3 278.440 3.455 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643716 369093309 /nfs/dbraw/zinc/09/33/09/369093309.db2.gz ZGZAPMHKCANJCD-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643716 369093314 /nfs/dbraw/zinc/09/33/14/369093314.db2.gz ZGZAPMHKCANJCD-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc(C)ccc2C)C1 ZINC000037643716 369093319 /nfs/dbraw/zinc/09/33/19/369093319.db2.gz ZGZAPMHKCANJCD-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000037644105 369093582 /nfs/dbraw/zinc/09/35/82/369093582.db2.gz XVLZMUZKQNEORO-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644105 369093585 /nfs/dbraw/zinc/09/35/85/369093585.db2.gz XVLZMUZKQNEORO-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(F)cc1 ZINC000037644105 369093589 /nfs/dbraw/zinc/09/35/89/369093589.db2.gz XVLZMUZKQNEORO-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000037644322 369094818 /nfs/dbraw/zinc/09/48/18/369094818.db2.gz PLHBWNIMAACWLS-QWRGUYRKSA-N 1 3 272.845 3.394 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037648950 369095635 /nfs/dbraw/zinc/09/56/35/369095635.db2.gz KZYAYHHDJULKIU-MRXNPFEDSA-N 1 3 288.435 3.048 20 0 CGADHO Fc1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649456 369097087 /nfs/dbraw/zinc/09/70/87/369097087.db2.gz HNBCBJLQKUYZEC-FZKQIMNGSA-N 1 3 288.410 3.351 20 0 CGADHO Fc1ccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000037649456 369097093 /nfs/dbraw/zinc/09/70/93/369097093.db2.gz HNBCBJLQKUYZEC-FZKQIMNGSA-N 1 3 288.410 3.351 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H](c2ccccc2F)C1)[C@H]1CC[NH2+]C1 ZINC000423105639 299396104 /nfs/dbraw/zinc/39/61/04/299396104.db2.gz ZCHAGSNUTMLNDQ-ZQDZILKHSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)CN1CCCCC1 ZINC000037997626 369136702 /nfs/dbraw/zinc/13/67/02/369136702.db2.gz PPUOWDBTQKWQPY-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000041721071 369195977 /nfs/dbraw/zinc/19/59/77/369195977.db2.gz XPOMSTKUISSUPY-UHFFFAOYSA-N 1 3 255.365 3.131 20 0 CGADHO CC[C@@H]([NH2+]CC1CCN(C)CC1)c1cccs1 ZINC000044515996 369264018 /nfs/dbraw/zinc/26/40/18/369264018.db2.gz KGPURJCBKZROGV-CYBMUJFWSA-N 1 3 252.427 3.131 20 0 CGADHO Cc1cc(NCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC000054128345 369495942 /nfs/dbraw/zinc/49/59/42/369495942.db2.gz ZYFIWSCERZXDFF-UHFFFAOYSA-N 1 3 257.381 3.295 20 0 CGADHO Cc1cc(NCC[N@H+](C)C(C)C)c2ccccc2n1 ZINC000054128345 369495946 /nfs/dbraw/zinc/49/59/46/369495946.db2.gz ZYFIWSCERZXDFF-UHFFFAOYSA-N 1 3 257.381 3.295 20 0 CGADHO c1ccc2c(c1)cccc2CN[C@@H]1CCC[NH2+]CC1 ZINC000129224782 370978796 /nfs/dbraw/zinc/97/87/96/370978796.db2.gz FWYKTKZQOONMFJ-MRXNPFEDSA-N 1 3 254.377 3.072 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N(C)CC(C)(C)C[NH3+] ZINC000062017925 369614878 /nfs/dbraw/zinc/61/48/78/369614878.db2.gz DCIIHAVSSMJJLM-NSHDSACASA-N 1 3 254.805 3.318 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)CN ZINC000062017925 369614884 /nfs/dbraw/zinc/61/48/84/369614884.db2.gz DCIIHAVSSMJJLM-NSHDSACASA-N 1 3 254.805 3.318 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)CN ZINC000062017925 369614886 /nfs/dbraw/zinc/61/48/86/369614886.db2.gz DCIIHAVSSMJJLM-NSHDSACASA-N 1 3 254.805 3.318 20 0 CGADHO Fc1ccc(/C=C\C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1F ZINC000512147061 245020182 /nfs/dbraw/zinc/02/01/82/245020182.db2.gz JJBKWCIVALQILI-NMBNSIPYSA-N 1 3 292.373 3.194 20 0 CGADHO Cc1ccccc1OCCCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842820 370629203 /nfs/dbraw/zinc/62/92/03/370629203.db2.gz XNGPFOWGCQTWFX-QGZVFWFLSA-N 1 3 290.451 3.038 20 0 CGADHO Cc1ccccc1OCCCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842820 370629205 /nfs/dbraw/zinc/62/92/05/370629205.db2.gz XNGPFOWGCQTWFX-QGZVFWFLSA-N 1 3 290.451 3.038 20 0 CGADHO CCC[N@H+](Cc1c(C)cccc1C)C1CCNCC1 ZINC000130906330 371068448 /nfs/dbraw/zinc/06/84/48/371068448.db2.gz PQBMRCGTMQOGOD-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CCC[N@@H+](Cc1c(C)cccc1C)C1CCNCC1 ZINC000130906330 371068452 /nfs/dbraw/zinc/06/84/52/371068452.db2.gz PQBMRCGTMQOGOD-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CCCN(Cc1c(C)cccc1C)C1CC[NH2+]CC1 ZINC000130906330 371068456 /nfs/dbraw/zinc/06/84/56/371068456.db2.gz PQBMRCGTMQOGOD-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CC[NH2+]CC1CCN([C@H](C)c2ccccc2F)CC1 ZINC000131510184 371112573 /nfs/dbraw/zinc/11/25/73/371112573.db2.gz LQYCGLKCLKTJPD-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO COc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c2ccccc12 ZINC000132215384 371158840 /nfs/dbraw/zinc/15/88/40/371158840.db2.gz MWLDMZYSKCCDMF-KBPBESRZSA-N 1 3 284.403 3.018 20 0 CGADHO CN(C)C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000132967820 371216467 /nfs/dbraw/zinc/21/64/67/371216467.db2.gz AWWHKJJUDIMEHW-UHFFFAOYSA-N 1 3 280.843 3.299 20 0 CGADHO C[C@H]1C[C@H](NCCc2nc(C(C)(C)C)cs2)CC[N@@H+]1C ZINC000133315639 371243045 /nfs/dbraw/zinc/24/30/45/371243045.db2.gz HUSPRXIVCTZQRK-QWHCGFSZSA-N 1 3 295.496 3.055 20 0 CGADHO C[C@H]1C[C@H](NCCc2nc(C(C)(C)C)cs2)CC[N@H+]1C ZINC000133315639 371243055 /nfs/dbraw/zinc/24/30/55/371243055.db2.gz HUSPRXIVCTZQRK-QWHCGFSZSA-N 1 3 295.496 3.055 20 0 CGADHO c1oc2ccccc2c1C[NH2+]CCCN1CCCCC1 ZINC000135030765 371386266 /nfs/dbraw/zinc/38/62/66/371386266.db2.gz PHGGYAVENWZVJC-UHFFFAOYSA-N 1 3 272.392 3.398 20 0 CGADHO CC[C@@H](C[NH2+]CCCN1CCCC1)c1ccccc1 ZINC000135611060 371439731 /nfs/dbraw/zinc/43/97/31/371439731.db2.gz KPGRAWPPPTVHHY-INIZCTEOSA-N 1 3 260.425 3.256 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2CC2)CC1 ZINC000149525142 371529458 /nfs/dbraw/zinc/52/94/58/371529458.db2.gz HMKXMIPLOQHKIQ-XJKSGUPXSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2CC2)CC1 ZINC000149525142 371529461 /nfs/dbraw/zinc/52/94/61/371529461.db2.gz HMKXMIPLOQHKIQ-XJKSGUPXSA-N 1 3 250.430 3.029 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150104612 371532679 /nfs/dbraw/zinc/53/26/79/371532679.db2.gz QVAFDFMXXLKZFU-CYBMUJFWSA-N 1 3 268.351 3.056 20 0 CGADHO CSC[C@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000150992535 371554698 /nfs/dbraw/zinc/55/46/98/371554698.db2.gz MPLNJRLAZQASID-UONOGXRCSA-N 1 3 296.480 3.029 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127093 371574556 /nfs/dbraw/zinc/57/45/56/371574556.db2.gz DDRYOILSKOKUPK-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127093 371574559 /nfs/dbraw/zinc/57/45/59/371574559.db2.gz DDRYOILSKOKUPK-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127093 371574560 /nfs/dbraw/zinc/57/45/60/371574560.db2.gz DDRYOILSKOKUPK-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO C[NH+](C)C1CCC(NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000422114679 371731848 /nfs/dbraw/zinc/73/18/48/371731848.db2.gz AWBVYGDYLVMMRK-UHFFFAOYSA-N 1 3 298.434 3.039 20 0 CGADHO COC1([C@H](C)NC2CC([NH+]3CCCCC3)C2)CCCCC1 ZINC000421862853 371685463 /nfs/dbraw/zinc/68/54/63/371685463.db2.gz XVDXTLHVWQMLNG-GTPINHCMSA-N 1 3 294.483 3.331 20 0 CGADHO CCC[C@H](CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422561350 371749588 /nfs/dbraw/zinc/74/95/88/371749588.db2.gz KTWRBNMQGAYONQ-QGZVFWFLSA-N 1 3 272.436 3.398 20 0 CGADHO Fc1cccc(F)c1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422687700 371755377 /nfs/dbraw/zinc/75/53/77/371755377.db2.gz BVXHGAQVRKOTMD-XYPHTWIQSA-N 1 3 294.389 3.018 20 0 CGADHO Fc1cccc(F)c1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422687698 371755474 /nfs/dbraw/zinc/75/54/74/371755474.db2.gz BVXHGAQVRKOTMD-KBRIMQKVSA-N 1 3 294.389 3.018 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccccc1Cl ZINC000422702672 371759809 /nfs/dbraw/zinc/75/98/09/371759809.db2.gz FRXYEGVEUQZQCL-NEPJUHHUSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422702672 371759814 /nfs/dbraw/zinc/75/98/14/371759814.db2.gz FRXYEGVEUQZQCL-NEPJUHHUSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000422709644 371763288 /nfs/dbraw/zinc/76/32/88/371763288.db2.gz KYHDMIZQNICKAV-YPMHNXCESA-N 1 3 274.330 3.397 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422720500 371767944 /nfs/dbraw/zinc/76/79/44/371767944.db2.gz SMNPVDXRKKPEBP-UXLLHSPISA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](c1ccccc1)c1ccccn1 ZINC000422762039 371792947 /nfs/dbraw/zinc/79/29/47/371792947.db2.gz NGCJKPMRGQTVLG-YJBOKZPZSA-N 1 3 283.419 3.278 20 0 CGADHO C[C@H]1CCC[C@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422746653 371782537 /nfs/dbraw/zinc/78/25/37/371782537.db2.gz OAEWZWSSOQQVHV-JPIQDLEPSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000422755383 371786218 /nfs/dbraw/zinc/78/62/18/371786218.db2.gz BKOXOFGFSNPNSL-HNAYVOBHSA-N 1 3 295.430 3.226 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC(c1ccccc1)c1ccccc1 ZINC000422755621 371786795 /nfs/dbraw/zinc/78/67/95/371786795.db2.gz KRYKJLNDLAFCEX-RTBURBONSA-N 1 3 280.415 3.288 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422756701 371787116 /nfs/dbraw/zinc/78/71/16/371787116.db2.gz HWKPFMBEHAJTNF-CJNGLKHVSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)c1cccc(F)c1 ZINC000422756701 371787122 /nfs/dbraw/zinc/78/71/22/371787122.db2.gz HWKPFMBEHAJTNF-CJNGLKHVSA-N 1 3 278.415 3.081 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1cccc(Cl)c1 ZINC000422761163 371790563 /nfs/dbraw/zinc/79/05/63/371790563.db2.gz LNZUEAZSLHWXJP-GJZGRUSLSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422759860 371790696 /nfs/dbraw/zinc/79/06/96/371790696.db2.gz KGQJWOCIZZDXKX-XJNFMUPTSA-N 1 3 260.425 3.113 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828650 371831589 /nfs/dbraw/zinc/83/15/89/371831589.db2.gz ORZAKSRJHZIHDB-ILXRZTDVSA-N 1 3 296.361 3.135 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422766471 371794787 /nfs/dbraw/zinc/79/47/87/371794787.db2.gz XJIYRVYGVUBBHP-GDBMZVCRSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1csc(-c2ccccc2)n1 ZINC000422776935 371799581 /nfs/dbraw/zinc/79/95/81/371799581.db2.gz BHGIFVONCVNCQW-STQMWFEESA-N 1 3 289.448 3.068 20 0 CGADHO C[C@@H](OCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422780872 371804004 /nfs/dbraw/zinc/80/40/04/371804004.db2.gz HTLCIGMSGDZMFH-NAZJXLNTSA-N 1 3 288.435 3.027 20 0 CGADHO Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422785440 371806868 /nfs/dbraw/zinc/80/68/68/371806868.db2.gz JSBFNXOPGIEWDT-ZTFGCOKTSA-N 1 3 296.414 3.497 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422791409 371811624 /nfs/dbraw/zinc/81/16/24/371811624.db2.gz YIVWWDHOQPUFOQ-QGPMSJSTSA-N 1 3 290.451 3.296 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C(C)C ZINC000422803886 371818247 /nfs/dbraw/zinc/81/82/47/371818247.db2.gz DIZJDETXYYUGBP-XMTFNYHQSA-N 1 3 296.499 3.338 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1cccc(F)c1 ZINC000422855673 371843610 /nfs/dbraw/zinc/84/36/10/371843610.db2.gz VSSALMDSGMSPBK-UNEWFSDZSA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422855673 371843615 /nfs/dbraw/zinc/84/36/15/371843615.db2.gz VSSALMDSGMSPBK-UNEWFSDZSA-N 1 3 294.414 3.090 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000422865231 371844916 /nfs/dbraw/zinc/84/49/16/371844916.db2.gz XHZNSJSMNWTLJN-MNOVXSKESA-N 1 3 269.458 3.219 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1OC ZINC000422945853 371885216 /nfs/dbraw/zinc/88/52/16/371885216.db2.gz VLZINGDZMMBNCM-ZHCJQAHYSA-N 1 3 294.483 3.090 20 0 CGADHO CCC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000422889711 371854487 /nfs/dbraw/zinc/85/44/87/371854487.db2.gz QHVJQIPIUGGYFK-CYBMUJFWSA-N 1 3 275.440 3.470 20 0 CGADHO CCOCCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCCC1 ZINC000422886815 371855486 /nfs/dbraw/zinc/85/54/86/371855486.db2.gz JRULIZSUBKFFNT-CVEARBPZSA-N 1 3 282.472 3.081 20 0 CGADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1oc2ccccc2c1C ZINC000422893840 371857591 /nfs/dbraw/zinc/85/75/91/371857591.db2.gz BABMEBVOSIKMLA-UONOGXRCSA-N 1 3 290.407 3.146 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cc2ccccc2s1 ZINC000422900510 371861258 /nfs/dbraw/zinc/86/12/58/371861258.db2.gz JLQGCOPLUOZFJL-SWLSCSKDSA-N 1 3 274.433 3.379 20 0 CGADHO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1Cl ZINC000422948096 371887155 /nfs/dbraw/zinc/88/71/55/371887155.db2.gz ZQYWIZABIRQJQT-KBPBESRZSA-N 1 3 282.815 3.098 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1cccc2ccccc21 ZINC000422940795 371881497 /nfs/dbraw/zinc/88/14/97/371881497.db2.gz JBZDJIJASBIRMZ-CRAIPNDOSA-N 1 3 298.430 3.196 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1cccc2ccccc21 ZINC000422940796 371881769 /nfs/dbraw/zinc/88/17/69/371881769.db2.gz JBZDJIJASBIRMZ-MAUKXSAKSA-N 1 3 298.430 3.196 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422941398 371883496 /nfs/dbraw/zinc/88/34/96/371883496.db2.gz HZELNGMNYXZBPB-HNAYVOBHSA-N 1 3 282.431 3.360 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc2ccccc2c1 ZINC000422941398 371883499 /nfs/dbraw/zinc/88/34/99/371883499.db2.gz HZELNGMNYXZBPB-HNAYVOBHSA-N 1 3 282.431 3.360 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422945291 371884563 /nfs/dbraw/zinc/88/45/63/371884563.db2.gz NJQPNXXVXCARGQ-WMLDXEAASA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422945291 371884569 /nfs/dbraw/zinc/88/45/69/371884569.db2.gz NJQPNXXVXCARGQ-WMLDXEAASA-N 1 3 290.451 3.050 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000422844893 371838862 /nfs/dbraw/zinc/83/88/62/371838862.db2.gz NBDPHUDHEJYGSZ-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO [NH3+]C1CCC(N[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000422859902 371842572 /nfs/dbraw/zinc/84/25/72/371842572.db2.gz LJGPJPIBYHKDRJ-DAWZGUTISA-N 1 3 299.393 3.170 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423052848 371935747 /nfs/dbraw/zinc/93/57/47/371935747.db2.gz QPHPBXKNXHTNTB-OTRWWLKZSA-N 1 3 290.451 3.086 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423052848 371935751 /nfs/dbraw/zinc/93/57/51/371935751.db2.gz QPHPBXKNXHTNTB-OTRWWLKZSA-N 1 3 290.451 3.086 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422952953 371888233 /nfs/dbraw/zinc/88/82/33/371888233.db2.gz DMAXBORNNQDPGT-GOEBONIOSA-N 1 3 290.451 3.080 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422952954 371888481 /nfs/dbraw/zinc/88/84/81/371888481.db2.gz DMAXBORNNQDPGT-HOCLYGCPSA-N 1 3 290.451 3.080 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000422954941 371890304 /nfs/dbraw/zinc/89/03/04/371890304.db2.gz IPWVDVVKMYEQBS-PJFSTRORSA-N 1 3 295.430 3.433 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000422954884 371890527 /nfs/dbraw/zinc/89/05/27/371890527.db2.gz ILFMMQXBKRELMZ-GFCCVEGCSA-N 1 3 261.413 3.080 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000422994062 371905820 /nfs/dbraw/zinc/90/58/20/371905820.db2.gz GPZGXDUGRZWVFX-MJGOQNOKSA-N 1 3 295.430 3.498 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000422994063 371906343 /nfs/dbraw/zinc/90/63/43/371906343.db2.gz GPZGXDUGRZWVFX-PKOBYXMFSA-N 1 3 295.430 3.498 20 0 CGADHO Cc1ccsc1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423014618 371915992 /nfs/dbraw/zinc/91/59/92/371915992.db2.gz JCSYTFMBQNOKNF-LBPRGKRZSA-N 1 3 289.448 3.112 20 0 CGADHO Cc1cc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)ccc1F ZINC000423017165 371916143 /nfs/dbraw/zinc/91/61/43/371916143.db2.gz VQGOWAJGEJCVCT-WBVHZDCISA-N 1 3 276.399 3.317 20 0 CGADHO Cc1cccc([C@H](N[C@@H](C)CCC[NH3+])c2ccccn2)c1 ZINC000423022955 371920540 /nfs/dbraw/zinc/92/05/40/371920540.db2.gz ISZGUBLXZDDSGF-YJBOKZPZSA-N 1 3 283.419 3.196 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2ccccc2CCC1(C)C ZINC000423026034 371923171 /nfs/dbraw/zinc/92/31/71/371923171.db2.gz MUCKBWLYHYHKHO-HEHGZKQESA-N 1 3 260.425 3.416 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423038548 371928083 /nfs/dbraw/zinc/92/80/83/371928083.db2.gz CZXSXXIOURLZIJ-TUAOUCFPSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423038548 371928084 /nfs/dbraw/zinc/92/80/84/371928084.db2.gz CZXSXXIOURLZIJ-TUAOUCFPSA-N 1 3 288.357 3.352 20 0 CGADHO CC(C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290201797 371931135 /nfs/dbraw/zinc/93/11/35/371931135.db2.gz PEVHFNAVHQFHNA-KRWDZBQOSA-N 1 3 260.425 3.287 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423092722 371957584 /nfs/dbraw/zinc/95/75/84/371957584.db2.gz DCWXGNKALWKIHU-XOUADPBQSA-N 1 3 278.827 3.303 20 0 CGADHO Fc1ccccc1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423094528 371960931 /nfs/dbraw/zinc/96/09/31/371960931.db2.gz KHUOOIMNUZCMNO-JQHSSLGASA-N 1 3 290.426 3.269 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423100279 371962438 /nfs/dbraw/zinc/96/24/38/371962438.db2.gz UZZUGNFUZJJDHB-MXAVVETBSA-N 1 3 264.800 3.055 20 0 CGADHO Cc1cccc(CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000423099596 371962932 /nfs/dbraw/zinc/96/29/32/371962932.db2.gz FPEONEUTZNGXPF-ROUUACIJSA-N 1 3 281.403 3.057 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423108220 371969899 /nfs/dbraw/zinc/96/98/99/371969899.db2.gz FTQILPJFHRLRLI-OBHHBEAMSA-N 1 3 272.436 3.158 20 0 CGADHO CC1(c2ccccc2)CC([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423107471 371969988 /nfs/dbraw/zinc/96/99/88/371969988.db2.gz RZFZSBAZNCJAEY-FQXVJMBOSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138275 371986529 /nfs/dbraw/zinc/98/65/29/371986529.db2.gz XNLALXQHJHMSOH-CSFVBSKPSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138275 371986534 /nfs/dbraw/zinc/98/65/34/371986534.db2.gz XNLALXQHJHMSOH-CSFVBSKPSA-N 1 3 276.399 3.049 20 0 CGADHO COc1cc(CCN[C@H]2CCCCC[C@H]2[NH3+])ccc1Cl ZINC000423140863 371989550 /nfs/dbraw/zinc/98/95/50/371989550.db2.gz ZOFDBJXOHVPAPG-CABCVRRESA-N 1 3 296.842 3.141 20 0 CGADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc(C2CC2)c1 ZINC000423146569 371991044 /nfs/dbraw/zinc/99/10/44/371991044.db2.gz PQHWSKLOBFMXFU-SUMWQHHRSA-N 1 3 258.409 3.357 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423146708 371991158 /nfs/dbraw/zinc/99/11/58/371991158.db2.gz QANWTXBVSNTCMM-BQFCYCMXSA-N 1 3 272.436 3.214 20 0 CGADHO Cc1ccc(F)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423159223 371995659 /nfs/dbraw/zinc/99/56/59/371995659.db2.gz XPJQDOXNOCBUGE-CGTJXYLNSA-N 1 3 290.426 3.187 20 0 CGADHO CCCNc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423075942 371949716 /nfs/dbraw/zinc/94/97/16/371949716.db2.gz PRPFASGLDFEBAF-RDJZCZTQSA-N 1 3 275.440 3.116 20 0 CGADHO CCCNc1ccc(C[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000423075942 371949722 /nfs/dbraw/zinc/94/97/22/371949722.db2.gz PRPFASGLDFEBAF-RDJZCZTQSA-N 1 3 275.440 3.116 20 0 CGADHO CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)C2CNC2)c2ccccc21 ZINC000423086787 371954445 /nfs/dbraw/zinc/95/44/45/371954445.db2.gz OCVQXBVQXMRPFF-GLJUWKHASA-N 1 3 272.436 3.111 20 0 CGADHO CC(C)[C@@H]1C[C@@H](CN[C@H](C)C2C[NH2+]C2)c2ccccc21 ZINC000423086787 371954448 /nfs/dbraw/zinc/95/44/48/371954448.db2.gz OCVQXBVQXMRPFF-GLJUWKHASA-N 1 3 272.436 3.111 20 0 CGADHO CC(C)[C@H]1C[C@@H](N[C@H](C)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423085010 371954483 /nfs/dbraw/zinc/95/44/83/371954483.db2.gz JNFXCAYBCJLXDQ-DTTOXWODSA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423202331 372026611 /nfs/dbraw/zinc/02/66/11/372026611.db2.gz ARNYOQPJGUJELE-JCGIZDLHSA-N 1 3 272.436 3.460 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[C@@H]1CCCNC1 ZINC000423212979 372034641 /nfs/dbraw/zinc/03/46/41/372034641.db2.gz JLDFFCXNNTVTDF-BVIKNXMNSA-N 1 3 287.451 3.086 20 0 CGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423219491 372037897 /nfs/dbraw/zinc/03/78/97/372037897.db2.gz TZCRZPBEFPTMBV-XPKDYRNWSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423256712 372044340 /nfs/dbraw/zinc/04/43/40/372044340.db2.gz FUOGVUUNEQUPAI-STQMWFEESA-N 1 3 293.480 3.062 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2cc(Cl)ccc21 ZINC000423273392 372046248 /nfs/dbraw/zinc/04/62/48/372046248.db2.gz KNFNCMQPGAOJOF-RCBQFDQVSA-N 1 3 278.827 3.434 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000423351189 372052934 /nfs/dbraw/zinc/05/29/34/372052934.db2.gz YROVGEVWMDNTIW-BZUAXINKSA-N 1 3 252.446 3.181 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423360560 372056819 /nfs/dbraw/zinc/05/68/19/372056819.db2.gz FTFIIBLVZZGPJL-AVGNSLFASA-N 1 3 264.438 3.329 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(N)CCCCC1 ZINC000423175323 372003847 /nfs/dbraw/zinc/00/38/47/372003847.db2.gz DRIVOZKSIUGVPB-QGZVFWFLSA-N 1 3 288.435 3.324 20 0 CGADHO COc1ccccc1-c1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000423177269 372006962 /nfs/dbraw/zinc/00/69/62/372006962.db2.gz IUDZFJYHIPKHKY-CQSZACIVSA-N 1 3 284.403 3.362 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423471555 372067326 /nfs/dbraw/zinc/06/73/26/372067326.db2.gz PRQMYEBOVOJXAA-LZWOXQAQSA-N 1 3 294.414 3.187 20 0 CGADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000424210361 372080410 /nfs/dbraw/zinc/08/04/10/372080410.db2.gz VWWYOBPQKZLHPE-QZWWFDLISA-N 1 3 262.441 3.172 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000424373323 372085771 /nfs/dbraw/zinc/08/57/71/372085771.db2.gz JNBVTQBVJDOCGG-RBSFLKMASA-N 1 3 264.800 3.187 20 0 CGADHO CC(C)CCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000429048742 372309456 /nfs/dbraw/zinc/30/94/56/372309456.db2.gz NTZUJUIFZUGFKJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000429048742 372309461 /nfs/dbraw/zinc/30/94/61/372309461.db2.gz NTZUJUIFZUGFKJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000429048742 372309463 /nfs/dbraw/zinc/30/94/63/372309463.db2.gz NTZUJUIFZUGFKJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000429048742 372309467 /nfs/dbraw/zinc/30/94/67/372309467.db2.gz NTZUJUIFZUGFKJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000293676575 372446051 /nfs/dbraw/zinc/44/60/51/372446051.db2.gz RBSHIHAKPGARMY-DOTOQJQBSA-N 1 3 290.451 3.033 20 0 CGADHO CC1=CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000293691400 372450929 /nfs/dbraw/zinc/45/09/29/372450929.db2.gz SHXLFXRBBAZPLV-QGZVFWFLSA-N 1 3 285.435 3.386 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000293753172 372470629 /nfs/dbraw/zinc/47/06/29/372470629.db2.gz YISUHFGTQXNKNE-HNNXBMFYSA-N 1 3 298.430 3.175 20 0 CGADHO CCN(Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435393067 372758712 /nfs/dbraw/zinc/75/87/12/372758712.db2.gz YPYKZFQBCVIQGM-KRWDZBQOSA-N 1 3 283.419 3.199 20 0 CGADHO CCN(Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435392815 372759187 /nfs/dbraw/zinc/75/91/87/372759187.db2.gz XXMCWVXBTGMVLY-OAHLLOKOSA-N 1 3 266.816 3.304 20 0 CGADHO Cc1cnccc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435600848 372781701 /nfs/dbraw/zinc/78/17/01/372781701.db2.gz GUBRGPDFRDQOIS-INIZCTEOSA-N 1 3 273.424 3.021 20 0 CGADHO Cc1cnccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435600848 372781709 /nfs/dbraw/zinc/78/17/09/372781709.db2.gz GUBRGPDFRDQOIS-INIZCTEOSA-N 1 3 273.424 3.021 20 0 CGADHO C[NH2+]CCCN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875735 372824736 /nfs/dbraw/zinc/82/47/36/372824736.db2.gz UHMKYWJUSKECLR-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875735 372824743 /nfs/dbraw/zinc/82/47/43/372824743.db2.gz UHMKYWJUSKECLR-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000435875735 372824748 /nfs/dbraw/zinc/82/47/48/372824748.db2.gz UHMKYWJUSKECLR-NVXWUHKLSA-N 1 3 260.425 3.378 20 0 CGADHO c1cc(N2CCC(C[NH2+]C3CC4(CCC4)C3)CC2)ccn1 ZINC000436470065 372836604 /nfs/dbraw/zinc/83/66/04/372836604.db2.gz HVWODFLBZPMXDH-UHFFFAOYSA-N 1 3 285.435 3.220 20 0 CGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccsc1 ZINC000061361117 541884441 /nfs/dbraw/zinc/88/44/41/541884441.db2.gz JZVOIQOAHREPSQ-ZDUSSCGKSA-N 1 3 287.432 3.463 20 0 CGADHO Cc1ccsc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296016947 372995774 /nfs/dbraw/zinc/99/57/74/372995774.db2.gz RPBFIHVPRVSCPX-FUDCBSFHSA-N 1 3 264.438 3.332 20 0 CGADHO Cc1ccsc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296016947 372995779 /nfs/dbraw/zinc/99/57/79/372995779.db2.gz RPBFIHVPRVSCPX-FUDCBSFHSA-N 1 3 264.438 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCc2ccccc2CC)C1 ZINC000444652740 373222512 /nfs/dbraw/zinc/22/25/12/373222512.db2.gz SKIRUVSWTFGAHR-QGZVFWFLSA-N 1 3 288.479 3.455 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCc2ccccc2CC)C1 ZINC000444652740 373222514 /nfs/dbraw/zinc/22/25/14/373222514.db2.gz SKIRUVSWTFGAHR-QGZVFWFLSA-N 1 3 288.479 3.455 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000446884673 373374110 /nfs/dbraw/zinc/37/41/10/373374110.db2.gz QAKXRIBFVKLAEM-DYVFJYSZSA-N 1 3 288.435 3.367 20 0 CGADHO CC[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cn1 ZINC000447577010 373455248 /nfs/dbraw/zinc/45/52/48/373455248.db2.gz DYJBMLFSINBCOI-INIZCTEOSA-N 1 3 291.414 3.136 20 0 CGADHO CC(C)[NH+](CCCNC1CC2(CCC2)C1)C(C)C ZINC000448054826 373542565 /nfs/dbraw/zinc/54/25/65/373542565.db2.gz CXTPWJFWWDSFNE-UHFFFAOYSA-N 1 3 252.446 3.418 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000300454405 373636021 /nfs/dbraw/zinc/63/60/21/373636021.db2.gz ONJFPVVHLYCPLE-WMZOPIPTSA-N 1 3 274.452 3.358 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000178677495 373804197 /nfs/dbraw/zinc/80/41/97/373804197.db2.gz TVQMHZLJRXKADF-CQSZACIVSA-N 1 3 278.440 3.324 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@H]2CCC[C@H](C)C2)CC1 ZINC000179366751 373863284 /nfs/dbraw/zinc/86/32/84/373863284.db2.gz XWQIAHPNXNJWAZ-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO FC1(F)CC[C@@H](CN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437546 374129217 /nfs/dbraw/zinc/12/92/17/374129217.db2.gz LBQPKCUEUYLTJU-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000450437546 374129221 /nfs/dbraw/zinc/12/92/21/374129221.db2.gz LBQPKCUEUYLTJU-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000450437546 374129225 /nfs/dbraw/zinc/12/92/25/374129225.db2.gz LBQPKCUEUYLTJU-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@H]2C1)C1=CCCC1 ZINC000308767064 374180637 /nfs/dbraw/zinc/18/06/37/374180637.db2.gz GAOWNEWIZWZQNJ-HOTGVXAUSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1=CCCC1 ZINC000308767064 374180640 /nfs/dbraw/zinc/18/06/40/374180640.db2.gz GAOWNEWIZWZQNJ-HOTGVXAUSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1=CCCC1 ZINC000308767064 374180644 /nfs/dbraw/zinc/18/06/44/374180644.db2.gz GAOWNEWIZWZQNJ-HOTGVXAUSA-N 1 3 262.441 3.339 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450448770 374136974 /nfs/dbraw/zinc/13/69/74/374136974.db2.gz DKZXDDGUTJWBQV-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448770 374136981 /nfs/dbraw/zinc/13/69/81/374136981.db2.gz DKZXDDGUTJWBQV-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448770 374136985 /nfs/dbraw/zinc/13/69/85/374136985.db2.gz DKZXDDGUTJWBQV-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450462536 374146175 /nfs/dbraw/zinc/14/61/75/374146175.db2.gz HEXJMMLWLJIHHX-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450462536 374146187 /nfs/dbraw/zinc/14/61/87/374146187.db2.gz HEXJMMLWLJIHHX-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462536 374146197 /nfs/dbraw/zinc/14/61/97/374146197.db2.gz HEXJMMLWLJIHHX-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450462536 374146205 /nfs/dbraw/zinc/14/62/05/374146205.db2.gz HEXJMMLWLJIHHX-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CN(C)C ZINC000310153940 374210589 /nfs/dbraw/zinc/21/05/89/374210589.db2.gz PUPVHANVHNLLMT-NEPJUHHUSA-N 1 3 254.805 3.188 20 0 CGADHO COc1ccc([C@@H](NCC[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000182059874 374211694 /nfs/dbraw/zinc/21/16/94/374211694.db2.gz YALFEIJAUUFAIQ-WMZOPIPTSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@@H](NCC[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059874 374211697 /nfs/dbraw/zinc/21/16/97/374211697.db2.gz YALFEIJAUUFAIQ-WMZOPIPTSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCN2C)C(C)C)cc1 ZINC000182059874 374211701 /nfs/dbraw/zinc/21/17/01/374211701.db2.gz YALFEIJAUUFAIQ-WMZOPIPTSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H](NCC1(C[NH2+][C@H](C)C(C)(C)C)COC1)C(C)(C)C ZINC000182337016 374260842 /nfs/dbraw/zinc/26/08/42/374260842.db2.gz XPHNTVMYVRDHKA-ZIAGYGMSSA-N 1 3 284.488 3.051 20 0 CGADHO C[C@@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)[C@H]1C ZINC000311237117 374237743 /nfs/dbraw/zinc/23/77/43/374237743.db2.gz WXGXVTZXHNNYKQ-IJEWVQPXSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000311237117 374237748 /nfs/dbraw/zinc/23/77/48/374237748.db2.gz WXGXVTZXHNNYKQ-IJEWVQPXSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)[C@H]1C ZINC000311237117 374237754 /nfs/dbraw/zinc/23/77/54/374237754.db2.gz WXGXVTZXHNNYKQ-IJEWVQPXSA-N 1 3 252.446 3.275 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2cccnc2)CC1 ZINC000182760891 374322679 /nfs/dbraw/zinc/32/26/79/374322679.db2.gz ZGNSDZMUOMWEHK-UHFFFAOYSA-N 1 3 289.467 3.416 20 0 CGADHO C1CC1[C@@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000453059047 374363194 /nfs/dbraw/zinc/36/31/94/374363194.db2.gz HZBRBRYBIKFULW-BBWFWOEESA-N 1 3 262.441 3.172 20 0 CGADHO Cc1cccc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322446634 374353411 /nfs/dbraw/zinc/35/34/11/374353411.db2.gz SWFMMDWRTSOVMR-MQVJKMGUSA-N 1 3 258.409 3.018 20 0 CGADHO Cc1cncc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000184260871 374510295 /nfs/dbraw/zinc/51/02/95/374510295.db2.gz KDULUDGBYGCTPC-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO C1CC2(C1)CC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000334460615 374770295 /nfs/dbraw/zinc/77/02/95/374770295.db2.gz NNRGFIJJWCLKTI-MRXNPFEDSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC000094528253 541987770 /nfs/dbraw/zinc/98/77/70/541987770.db2.gz QADILYZGGUULHW-DZGCQCFKSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1cc2ccccc2s1 ZINC000335028986 375080182 /nfs/dbraw/zinc/08/01/82/375080182.db2.gz KLSLRGJCQJUSOR-LLVKDONJSA-N 1 3 260.406 3.304 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccnc(SCC)c2)CC1 ZINC000187790102 375094560 /nfs/dbraw/zinc/09/45/60/375094560.db2.gz YOHSFGCJBQCPMZ-UHFFFAOYSA-N 1 3 293.480 3.158 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCOC(C)(C)C ZINC000482130419 375167156 /nfs/dbraw/zinc/16/71/56/375167156.db2.gz DVPORXSCDBITKL-JKSUJKDBSA-N 1 3 284.488 3.292 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000482130419 375167162 /nfs/dbraw/zinc/16/71/62/375167162.db2.gz DVPORXSCDBITKL-JKSUJKDBSA-N 1 3 284.488 3.292 20 0 CGADHO COC1(C[NH+]2CCC(N3CCCCC3)CC2)CCCCC1 ZINC000483167848 375175870 /nfs/dbraw/zinc/17/58/70/375175870.db2.gz JZDCJGKKOPDAGS-UHFFFAOYSA-N 1 3 294.483 3.286 20 0 CGADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000189115121 375327895 /nfs/dbraw/zinc/32/78/95/375327895.db2.gz ZGAGXDUJQZFSBO-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000189115121 375327900 /nfs/dbraw/zinc/32/79/00/375327900.db2.gz ZGAGXDUJQZFSBO-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000189115121 375327905 /nfs/dbraw/zinc/32/79/05/375327905.db2.gz ZGAGXDUJQZFSBO-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000189115121 375327908 /nfs/dbraw/zinc/32/79/08/375327908.db2.gz ZGAGXDUJQZFSBO-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189145546 375332645 /nfs/dbraw/zinc/33/26/45/375332645.db2.gz VWKAWWNJCJSMAN-RBSFLKMASA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)OC1CC(NCCC[NH+](C(C)C)C(C)C)C1 ZINC000189545453 375407300 /nfs/dbraw/zinc/40/73/00/375407300.db2.gz BFPZZQXEYPGHLV-UHFFFAOYSA-N 1 3 270.461 3.041 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000493530471 375473927 /nfs/dbraw/zinc/47/39/27/375473927.db2.gz RWUZSRWJAHZOPY-IPMKNSEASA-N 1 3 286.463 3.472 20 0 CGADHO Cc1cccnc1[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(C)C ZINC000120659168 542011916 /nfs/dbraw/zinc/01/19/16/542011916.db2.gz DXTNQGVVBVSDML-DOTOQJQBSA-N 1 3 289.467 3.407 20 0 CGADHO CC(C)C[NH+](CCCN1CCN(C(C)C)CC1)CC(C)C ZINC000191422749 375626710 /nfs/dbraw/zinc/62/67/10/375626710.db2.gz LUTQRZRNEVHOSC-UHFFFAOYSA-N 1 3 297.531 3.017 20 0 CGADHO CCc1cccnc1[C@H](C)NCCC1CC[NH+](CC)CC1 ZINC000507495411 375708087 /nfs/dbraw/zinc/70/80/87/375708087.db2.gz MKUHUXAPHJSZRB-HNNXBMFYSA-N 1 3 289.467 3.417 20 0 CGADHO CC(C)c1csc(CN[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000128706473 542053830 /nfs/dbraw/zinc/05/38/30/542053830.db2.gz GYCVWJFBTZTZPL-LBPRGKRZSA-N 1 3 281.469 3.086 20 0 CGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Sc1ccccc1 ZINC000192909940 375800554 /nfs/dbraw/zinc/80/05/54/375800554.db2.gz JPSWLTOYLAZHPN-WZYMTQMTSA-N 1 3 290.476 3.382 20 0 CGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Sc1ccccc1 ZINC000192909940 375800557 /nfs/dbraw/zinc/80/05/57/375800557.db2.gz JPSWLTOYLAZHPN-WZYMTQMTSA-N 1 3 290.476 3.382 20 0 CGADHO C[C@@H](NCc1cc2c(s1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000520564945 375863991 /nfs/dbraw/zinc/86/39/91/375863991.db2.gz OZQWYBJFURUZJP-OCCSQVGLSA-N 1 3 278.465 3.105 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)c1cccc(Br)c1 ZINC000520406633 375853286 /nfs/dbraw/zinc/85/32/86/375853286.db2.gz OAOWMTSDKYQZSC-SRVKXCTJSA-N 1 3 299.256 3.268 20 0 CGADHO C[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000520406633 375853294 /nfs/dbraw/zinc/85/32/94/375853294.db2.gz OAOWMTSDKYQZSC-SRVKXCTJSA-N 1 3 299.256 3.268 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000193296650 375854203 /nfs/dbraw/zinc/85/42/03/375854203.db2.gz YRJNFYOMGZHDHG-GOOCMWNKSA-N 1 3 284.403 3.456 20 0 CGADHO Cc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000536652215 376109991 /nfs/dbraw/zinc/10/99/91/376109991.db2.gz VQTLPKFYOKIXOR-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000536652215 376109997 /nfs/dbraw/zinc/10/99/97/376109997.db2.gz VQTLPKFYOKIXOR-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000536834264 376133490 /nfs/dbraw/zinc/13/34/90/376133490.db2.gz TWZBWELYLSNZCZ-RDJZCZTQSA-N 1 3 266.473 3.379 20 0 CGADHO CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000337272578 376184470 /nfs/dbraw/zinc/18/44/70/376184470.db2.gz CFNACMXGAHDZEP-OAGGEKHMSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337272578 376184477 /nfs/dbraw/zinc/18/44/77/376184477.db2.gz CFNACMXGAHDZEP-OAGGEKHMSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272578 376184483 /nfs/dbraw/zinc/18/44/83/376184483.db2.gz CFNACMXGAHDZEP-OAGGEKHMSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCC12CCC2)CN1CCCCC1 ZINC000337406614 376220214 /nfs/dbraw/zinc/22/02/14/376220214.db2.gz SQXWFWAHOVRTFJ-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226330982 376353280 /nfs/dbraw/zinc/35/32/80/376353280.db2.gz HUYFFULLRLBEAO-SGMGOOAPSA-N 1 3 298.377 3.408 20 0 CGADHO CN(Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226449881 376361483 /nfs/dbraw/zinc/36/14/83/376361483.db2.gz GCVUIJVUYWVCKO-QGZVFWFLSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000540194972 376366602 /nfs/dbraw/zinc/36/66/02/376366602.db2.gz MRPVLVDHWMNZBT-KXBFYZLASA-N 1 3 298.430 3.148 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000540194972 376366605 /nfs/dbraw/zinc/36/66/05/376366605.db2.gz MRPVLVDHWMNZBT-KXBFYZLASA-N 1 3 298.430 3.148 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000226927202 376377363 /nfs/dbraw/zinc/37/73/63/376377363.db2.gz SNJWBCUCAALJFI-WMLDXEAASA-N 1 3 260.425 3.369 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCCC1 ZINC000227158155 376384698 /nfs/dbraw/zinc/38/46/98/376384698.db2.gz MCDPXEGVROTIMG-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(C)c(OCCCN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227188113 376386615 /nfs/dbraw/zinc/38/66/15/376386615.db2.gz QGCBBELWFPJINO-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000228333856 376435095 /nfs/dbraw/zinc/43/50/95/376435095.db2.gz FFUNKEJNXNFPHH-WBVHZDCISA-N 1 3 260.425 3.042 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000228333856 376435100 /nfs/dbraw/zinc/43/51/00/376435100.db2.gz FFUNKEJNXNFPHH-WBVHZDCISA-N 1 3 260.425 3.042 20 0 CGADHO CC(C)C(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000232676931 376585134 /nfs/dbraw/zinc/58/51/34/376585134.db2.gz BETGGMUCWJQPKL-UHFFFAOYSA-N 1 3 275.440 3.322 20 0 CGADHO CCc1ccc(C[NH2+][C@@H](C)C2CCN(C)CC2)s1 ZINC000156300758 542128209 /nfs/dbraw/zinc/12/82/09/542128209.db2.gz UOZOTLQKLQXBJL-LBPRGKRZSA-N 1 3 266.454 3.130 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505484 376835485 /nfs/dbraw/zinc/83/54/85/376835485.db2.gz MFFQDQLCQZRMIC-BFYDXBDKSA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505484 376835494 /nfs/dbraw/zinc/83/54/94/376835494.db2.gz MFFQDQLCQZRMIC-BFYDXBDKSA-N 1 3 272.436 3.475 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)c3c2cccc3C)C1 ZINC000245505484 376835507 /nfs/dbraw/zinc/83/55/07/376835507.db2.gz MFFQDQLCQZRMIC-BFYDXBDKSA-N 1 3 272.436 3.475 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123160 376845144 /nfs/dbraw/zinc/84/51/44/376845144.db2.gz PEICUJZIMAGNJB-KBXCAEBGSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123160 376845152 /nfs/dbraw/zinc/84/51/52/376845152.db2.gz PEICUJZIMAGNJB-KBXCAEBGSA-N 1 3 272.436 3.384 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245544895 376848934 /nfs/dbraw/zinc/84/89/34/376848934.db2.gz SUPPOKJAQMTIAX-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000556762187 376876286 /nfs/dbraw/zinc/87/62/86/376876286.db2.gz KGRFVOVONBCINM-NXHRZFHOSA-N 1 3 272.436 3.110 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000245878600 376925015 /nfs/dbraw/zinc/92/50/15/376925015.db2.gz KLQHBTSBRGGRDZ-BRWVUGGUSA-N 1 3 296.499 3.289 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000558419299 377008201 /nfs/dbraw/zinc/00/82/01/377008201.db2.gz SKXDFYSKXAPEEP-NVXWUHKLSA-N 1 3 292.442 3.467 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000340507193 377110259 /nfs/dbraw/zinc/11/02/59/377110259.db2.gz WLULENPDKUHDND-PVAVHDDUSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000340507193 377110270 /nfs/dbraw/zinc/11/02/70/377110270.db2.gz WLULENPDKUHDND-PVAVHDDUSA-N 1 3 296.499 3.169 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992455 377133435 /nfs/dbraw/zinc/13/34/35/377133435.db2.gz KHCKSYIPTYLDQK-LBTNJELSSA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992455 377133443 /nfs/dbraw/zinc/13/34/43/377133443.db2.gz KHCKSYIPTYLDQK-LBTNJELSSA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@H]2C)C1 ZINC000246992455 377133452 /nfs/dbraw/zinc/13/34/52/377133452.db2.gz KHCKSYIPTYLDQK-LBTNJELSSA-N 1 3 290.426 3.381 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC000247180666 377171961 /nfs/dbraw/zinc/17/19/61/377171961.db2.gz VENVBUKZZVTCEU-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC000247180666 377171966 /nfs/dbraw/zinc/17/19/66/377171966.db2.gz VENVBUKZZVTCEU-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000247180666 377171970 /nfs/dbraw/zinc/17/19/70/377171970.db2.gz VENVBUKZZVTCEU-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccs1 ZINC000247208015 377177161 /nfs/dbraw/zinc/17/71/61/377177161.db2.gz VMQUIDDPJVRNQL-YNEHKIRRSA-N 1 3 252.427 3.272 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000247527182 377218803 /nfs/dbraw/zinc/21/88/03/377218803.db2.gz NXEYZKHULFSHBM-SJORKVTESA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000247527182 377218810 /nfs/dbraw/zinc/21/88/10/377218810.db2.gz NXEYZKHULFSHBM-SJORKVTESA-N 1 3 272.436 3.474 20 0 CGADHO CC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000561541627 377233133 /nfs/dbraw/zinc/23/31/33/377233133.db2.gz LDIIFJORMGTBTQ-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO C1=C(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248689911 377381474 /nfs/dbraw/zinc/38/14/74/377381474.db2.gz AOUNWJNLVUGXDI-SJORKVTESA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248689911 377381482 /nfs/dbraw/zinc/38/14/82/377381482.db2.gz AOUNWJNLVUGXDI-SJORKVTESA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000248689911 377381496 /nfs/dbraw/zinc/38/14/96/377381496.db2.gz AOUNWJNLVUGXDI-SJORKVTESA-N 1 3 262.441 3.483 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000563304904 377440421 /nfs/dbraw/zinc/44/04/21/377440421.db2.gz WOWCHJBAKXJITG-YOEHRIQHSA-N 1 3 290.451 3.466 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249086285 377458654 /nfs/dbraw/zinc/45/86/54/377458654.db2.gz BYIJDFYPBRGJGN-RDBSUJKOSA-N 1 3 292.389 3.429 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000249094474 377461228 /nfs/dbraw/zinc/46/12/28/377461228.db2.gz VFVOACUJGOYXCK-LEUOFYLZSA-N 1 3 294.483 3.187 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000249120565 377464988 /nfs/dbraw/zinc/46/49/88/377464988.db2.gz TYEUSVXVDMQPCM-IXDOHACOSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000249120565 377464993 /nfs/dbraw/zinc/46/49/93/377464993.db2.gz TYEUSVXVDMQPCM-IXDOHACOSA-N 1 3 264.457 3.252 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249194716 377477027 /nfs/dbraw/zinc/47/70/27/377477027.db2.gz QEDCEWSAYTUCHE-CVEARBPZSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249194716 377477041 /nfs/dbraw/zinc/47/70/41/377477041.db2.gz QEDCEWSAYTUCHE-CVEARBPZSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249194716 377477048 /nfs/dbraw/zinc/47/70/48/377477048.db2.gz QEDCEWSAYTUCHE-CVEARBPZSA-N 1 3 292.442 3.467 20 0 CGADHO Cc1nccnc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000249203572 377479087 /nfs/dbraw/zinc/47/90/87/377479087.db2.gz USKPELCAXGRDBZ-HUUCEWRRSA-N 1 3 290.455 3.090 20 0 CGADHO Cc1nccnc1[C@@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000249203572 377479095 /nfs/dbraw/zinc/47/90/95/377479095.db2.gz USKPELCAXGRDBZ-HUUCEWRRSA-N 1 3 290.455 3.090 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000090721560 249029110 /nfs/dbraw/zinc/02/91/10/249029110.db2.gz ZVGTZUQHRRNZMQ-KDOFPFPSSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721560 249029111 /nfs/dbraw/zinc/02/91/11/249029111.db2.gz ZVGTZUQHRRNZMQ-KDOFPFPSSA-N 1 3 268.404 3.412 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000265107701 190158279 /nfs/dbraw/zinc/15/82/79/190158279.db2.gz BIDOTUXKODPGQP-QGZVFWFLSA-N 1 3 282.431 3.266 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000265107701 190158280 /nfs/dbraw/zinc/15/82/80/190158280.db2.gz BIDOTUXKODPGQP-QGZVFWFLSA-N 1 3 282.431 3.266 20 0 CGADHO C[NH+](C)C[C@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000265107701 190158281 /nfs/dbraw/zinc/15/82/81/190158281.db2.gz BIDOTUXKODPGQP-QGZVFWFLSA-N 1 3 282.431 3.266 20 0 CGADHO CC(C)Cc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000094896159 249043143 /nfs/dbraw/zinc/04/31/43/249043143.db2.gz IJJHTABHENFJQK-SFHVURJKSA-N 1 3 286.463 3.459 20 0 CGADHO CC(C)Cc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000094896159 249043145 /nfs/dbraw/zinc/04/31/45/249043145.db2.gz IJJHTABHENFJQK-SFHVURJKSA-N 1 3 286.463 3.459 20 0 CGADHO CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000094896159 249043147 /nfs/dbraw/zinc/04/31/47/249043147.db2.gz IJJHTABHENFJQK-SFHVURJKSA-N 1 3 286.463 3.459 20 0 CGADHO CCN(CC[C@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595149 377515756 /nfs/dbraw/zinc/51/57/56/377515756.db2.gz WQGKOJWUXWAGPR-GDBMZVCRSA-N 1 3 280.481 3.485 20 0 CGADHO CCN(CC[C@H]1CCC[N@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595149 377515763 /nfs/dbraw/zinc/51/57/63/377515763.db2.gz WQGKOJWUXWAGPR-GDBMZVCRSA-N 1 3 280.481 3.485 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166482191 542174772 /nfs/dbraw/zinc/17/47/72/542174772.db2.gz DMWOGQURYHCRNT-ZWKOTPCHSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166482191 542174776 /nfs/dbraw/zinc/17/47/76/542174776.db2.gz DMWOGQURYHCRNT-ZWKOTPCHSA-N 1 3 286.463 3.489 20 0 CGADHO C[C@H](CCC[NH3+])NCc1cc(Cl)sc1Cl ZINC000312884301 249082823 /nfs/dbraw/zinc/08/28/23/249082823.db2.gz XLCSFMGGXLDWCC-SSDOTTSWSA-N 1 3 267.225 3.272 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422907547 249127415 /nfs/dbraw/zinc/12/74/15/249127415.db2.gz LOQXHTUGQWSMPZ-QWHCGFSZSA-N 1 3 280.843 3.477 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422907547 249127418 /nfs/dbraw/zinc/12/74/18/249127418.db2.gz LOQXHTUGQWSMPZ-QWHCGFSZSA-N 1 3 280.843 3.477 20 0 CGADHO c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250637552 377564846 /nfs/dbraw/zinc/56/48/46/377564846.db2.gz ASYUAOWIWLIEGY-GVDBMIGSSA-N 1 3 258.409 3.087 20 0 CGADHO Cc1cc(NCC2([NH+]3CCCCC3)CCCCC2)ccn1 ZINC000478263251 249168837 /nfs/dbraw/zinc/16/88/37/249168837.db2.gz VMXHVUDZFAWTQB-UHFFFAOYSA-N 1 3 287.451 3.413 20 0 CGADHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000250844214 377567247 /nfs/dbraw/zinc/56/72/47/377567247.db2.gz HLIVCOADMHFFKL-INDMIFKZSA-N 1 3 284.447 3.054 20 0 CGADHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000250844215 377567740 /nfs/dbraw/zinc/56/77/40/377567740.db2.gz HLIVCOADMHFFKL-WJFTUGDTSA-N 1 3 284.447 3.054 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000251262802 377579160 /nfs/dbraw/zinc/57/91/60/377579160.db2.gz XUPYNFDYDDOXTK-BZUAXINKSA-N 1 3 278.465 3.457 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516759999 249242970 /nfs/dbraw/zinc/24/29/70/249242970.db2.gz ISLSGFPHEPGGTF-FZKQIMNGSA-N 1 3 281.403 3.137 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574002518 377605158 /nfs/dbraw/zinc/60/51/58/377605158.db2.gz IARINWSRPMJFSE-RHSMWYFYSA-N 1 3 292.492 3.343 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574002518 377605170 /nfs/dbraw/zinc/60/51/70/377605170.db2.gz IARINWSRPMJFSE-RHSMWYFYSA-N 1 3 292.492 3.343 20 0 CGADHO Cc1c([C@@H](C)NCc2ccc(C[NH3+])cc2)cnn1C(C)C ZINC000573967547 377599842 /nfs/dbraw/zinc/59/98/42/377599842.db2.gz WIARUHDGKIKLBW-CYBMUJFWSA-N 1 3 286.423 3.082 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252173338 377617518 /nfs/dbraw/zinc/61/75/18/377617518.db2.gz OLEPUPMWEUYMOK-LVQVYYBASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000574039753 377611124 /nfs/dbraw/zinc/61/11/24/377611124.db2.gz PWRRNRDNZKDKIJ-GRYCIOLGSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)c1cccc(Cl)c1 ZINC000574039753 377611135 /nfs/dbraw/zinc/61/11/35/377611135.db2.gz PWRRNRDNZKDKIJ-GRYCIOLGSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@@H](Cc1ccsc1)NCC[N@@H+]1CCCC1(C)C ZINC000574126635 377624541 /nfs/dbraw/zinc/62/45/41/377624541.db2.gz WQCZULBBLXCARA-ZDUSSCGKSA-N 1 3 266.454 3.143 20 0 CGADHO C[C@@H](Cc1ccsc1)NCC[N@H+]1CCCC1(C)C ZINC000574126635 377624547 /nfs/dbraw/zinc/62/45/47/377624547.db2.gz WQCZULBBLXCARA-ZDUSSCGKSA-N 1 3 266.454 3.143 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCC1CC[NH+](CCC(C)C)CC1 ZINC000180727671 542214768 /nfs/dbraw/zinc/21/47/68/542214768.db2.gz FVCZNSXDLYVBRV-CQSZACIVSA-N 1 3 292.471 3.127 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCc3ccccc3C2)c2ccccc21 ZINC000252776327 377662632 /nfs/dbraw/zinc/66/26/32/377662632.db2.gz KLOQKNXTQKBHQB-IPELMVKDSA-N 1 3 278.399 3.278 20 0 CGADHO CC[C@H](CSC)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253035933 377671607 /nfs/dbraw/zinc/67/16/07/377671607.db2.gz WUCJBOLJWDUDSW-BFHYXJOUSA-N 1 3 258.475 3.028 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000261577885 377820196 /nfs/dbraw/zinc/82/01/96/377820196.db2.gz CXMFFJXPPMUTTJ-UBHSHLNASA-N 1 3 278.465 3.215 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000261577887 377820680 /nfs/dbraw/zinc/82/06/80/377820680.db2.gz CXMFFJXPPMUTTJ-YUTCNCBUSA-N 1 3 278.465 3.215 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261574934 377821502 /nfs/dbraw/zinc/82/15/02/377821502.db2.gz BJKGWFDRPQETNG-DRPJVOAASA-N 1 3 278.827 3.460 20 0 CGADHO C[C@]1(CN2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007832 377877599 /nfs/dbraw/zinc/87/75/99/377877599.db2.gz LZIBISMKZBDBKN-HOCLYGCPSA-N 1 3 278.827 3.129 20 0 CGADHO C[NH2+]CCC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000262008741 377878719 /nfs/dbraw/zinc/87/87/19/377878719.db2.gz SJZLQKSGCMOXNF-KRWDZBQOSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@H](CN1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc(Cl)c1 ZINC000262016338 377880278 /nfs/dbraw/zinc/88/02/78/377880278.db2.gz VSXGYHBEDNKXFT-FRRDWIJNSA-N 1 3 266.816 3.113 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)c1C ZINC000261744270 377849656 /nfs/dbraw/zinc/84/96/56/377849656.db2.gz IZJBZTPEQKLLNX-MSOLQXFVSA-N 1 3 272.436 3.440 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000261824819 377857998 /nfs/dbraw/zinc/85/79/98/377857998.db2.gz AWSLQGOTCXPXAU-IEBWSBKVSA-N 1 3 291.398 3.445 20 0 CGADHO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000575980082 378004910 /nfs/dbraw/zinc/00/49/10/378004910.db2.gz LFUMRNNCDWJYFZ-SJLPKXTDSA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000578313984 378056366 /nfs/dbraw/zinc/05/63/66/378056366.db2.gz LWOSATNMXSMTQJ-DLBZAZTESA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000578313984 378056372 /nfs/dbraw/zinc/05/63/72/378056372.db2.gz LWOSATNMXSMTQJ-DLBZAZTESA-N 1 3 260.425 3.300 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCSc2ccccc2)C1 ZINC000578453112 378071917 /nfs/dbraw/zinc/07/19/17/378071917.db2.gz GVEMGZCIXRQOHJ-KBPBESRZSA-N 1 3 264.438 3.028 20 0 CGADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Sc1ccccc1 ZINC000578668475 378090048 /nfs/dbraw/zinc/09/00/48/378090048.db2.gz DLJAFIUAVWNEFR-RDBSUJKOSA-N 1 3 264.438 3.027 20 0 CGADHO CCNCCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000578738332 378096784 /nfs/dbraw/zinc/09/67/84/378096784.db2.gz HQSXMMCXAFQZHA-IRXDYDNUSA-N 1 3 260.425 3.302 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCCC[C@H]1c1ccccc1 ZINC000578738332 378096791 /nfs/dbraw/zinc/09/67/91/378096791.db2.gz HQSXMMCXAFQZHA-IRXDYDNUSA-N 1 3 260.425 3.302 20 0 CGADHO CC[N@H+](CCCC1CCCC1)[C@H]1CCCNCC1 ZINC000345177343 378214383 /nfs/dbraw/zinc/21/43/83/378214383.db2.gz HQVCUDLLUHRKJV-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO CC[N@@H+](CCCC1CCCC1)[C@H]1CCCNCC1 ZINC000345177343 378214386 /nfs/dbraw/zinc/21/43/86/378214386.db2.gz HQVCUDLLUHRKJV-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000579378622 378156043 /nfs/dbraw/zinc/15/60/43/378156043.db2.gz SDKBDGMXXKGDAA-QGZVFWFLSA-N 1 3 292.442 3.422 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000579378622 378156045 /nfs/dbraw/zinc/15/60/45/378156045.db2.gz SDKBDGMXXKGDAA-QGZVFWFLSA-N 1 3 292.442 3.422 20 0 CGADHO C[C@H](N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000580062901 378220825 /nfs/dbraw/zinc/22/08/25/378220825.db2.gz ZLIFWPAPHHBSJU-IFOZYUSPSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCCNC1 ZINC000580062901 378220828 /nfs/dbraw/zinc/22/08/28/378220828.db2.gz ZLIFWPAPHHBSJU-IFOZYUSPSA-N 1 3 294.389 3.189 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000579494027 378166772 /nfs/dbraw/zinc/16/67/72/378166772.db2.gz DDJNAXJCLGJGMK-JKSUJKDBSA-N 1 3 278.465 3.088 20 0 CGADHO Cc1ccc2c(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000269997290 378292677 /nfs/dbraw/zinc/29/26/77/378292677.db2.gz WYPGTBQTHLZNQY-IAGOWNOFSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1ccc2c(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c2c1 ZINC000269997290 378292685 /nfs/dbraw/zinc/29/26/85/378292685.db2.gz WYPGTBQTHLZNQY-IAGOWNOFSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000580702171 378250342 /nfs/dbraw/zinc/25/03/42/378250342.db2.gz KDFCDNSZJVVWEO-SJORKVTESA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580702171 378250344 /nfs/dbraw/zinc/25/03/44/378250344.db2.gz KDFCDNSZJVVWEO-SJORKVTESA-N 1 3 290.451 3.050 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000582295228 378300965 /nfs/dbraw/zinc/30/09/65/378300965.db2.gz JXRVZWWKOMKSKI-QITLCBANSA-N 1 3 287.451 3.326 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]CC1(N)CCCCCC1 ZINC000583859436 378354186 /nfs/dbraw/zinc/35/41/86/378354186.db2.gz VYMGNLPHGXFYPJ-ZDUSSCGKSA-N 1 3 266.454 3.320 20 0 CGADHO C[C@@H](Cc1ccsc1)NCC1([NH3+])CCCCCC1 ZINC000583859436 378354192 /nfs/dbraw/zinc/35/41/92/378354192.db2.gz VYMGNLPHGXFYPJ-ZDUSSCGKSA-N 1 3 266.454 3.320 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175548 378470930 /nfs/dbraw/zinc/47/09/30/378470930.db2.gz FTZFMBDZFKFALK-BBRMVZONSA-N 1 3 271.408 3.082 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175548 378470932 /nfs/dbraw/zinc/47/09/32/378470932.db2.gz FTZFMBDZFKFALK-BBRMVZONSA-N 1 3 271.408 3.082 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000271868187 378509299 /nfs/dbraw/zinc/50/92/99/378509299.db2.gz LYTKJWIKGYERBP-RBUKOAKNSA-N 1 3 284.447 3.249 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000346375620 378559818 /nfs/dbraw/zinc/55/98/18/378559818.db2.gz ZFSOKVCLSJRCQU-NUJGCVRESA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@H]2CCOC2)CC1 ZINC000346375620 378559823 /nfs/dbraw/zinc/55/98/23/378559823.db2.gz ZFSOKVCLSJRCQU-NUJGCVRESA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]([NH2+]Cc1cccn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272188301 378579867 /nfs/dbraw/zinc/57/98/67/378579867.db2.gz LQDQXARFWVQFEC-FUHWJXTLSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H]([NH2+]Cc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272252852 378596480 /nfs/dbraw/zinc/59/64/80/378596480.db2.gz YORKZKRLCWIIMJ-LPHOPBHVSA-N 1 3 295.430 3.082 20 0 CGADHO CC(C)N1CCC([N@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC000637889273 378617995 /nfs/dbraw/zinc/61/79/95/378617995.db2.gz NGKXERFILPNBJH-UHFFFAOYSA-N 1 3 299.462 3.483 20 0 CGADHO CC(C)N1CCC([N@@H+](C)Cc2cc3ccccc3n2C)CC1 ZINC000637889273 378617997 /nfs/dbraw/zinc/61/79/97/378617997.db2.gz NGKXERFILPNBJH-UHFFFAOYSA-N 1 3 299.462 3.483 20 0 CGADHO CN(Cc1cccc(-c2ccccn2)c1)CC(C)(C)C[NH3+] ZINC000346661477 378666534 /nfs/dbraw/zinc/66/65/34/378666534.db2.gz BCMNTCNMQVHXSC-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccccn2)c1)CC(C)(C)CN ZINC000346661477 378666540 /nfs/dbraw/zinc/66/65/40/378666540.db2.gz BCMNTCNMQVHXSC-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccccn2)c1)CC(C)(C)CN ZINC000346661477 378666543 /nfs/dbraw/zinc/66/65/43/378666543.db2.gz BCMNTCNMQVHXSC-UHFFFAOYSA-N 1 3 283.419 3.165 20 0 CGADHO CN(CCCOc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000346832703 378692401 /nfs/dbraw/zinc/69/24/01/378692401.db2.gz MERUKQOFFXOQEB-AWEZNQCLSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCCNC1 ZINC000346832703 378692406 /nfs/dbraw/zinc/69/24/06/378692406.db2.gz MERUKQOFFXOQEB-AWEZNQCLSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCCNC1 ZINC000346832703 378692414 /nfs/dbraw/zinc/69/24/14/378692414.db2.gz MERUKQOFFXOQEB-AWEZNQCLSA-N 1 3 296.842 3.040 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346818983 378692773 /nfs/dbraw/zinc/69/27/73/378692773.db2.gz DJXNLVXQZAVARV-NOLJZWGESA-N 1 3 284.403 3.164 20 0 CGADHO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000347927616 378731886 /nfs/dbraw/zinc/73/18/86/378731886.db2.gz IAWRMPSAHXQYCX-RYUDHWBXSA-N 1 3 278.362 3.181 20 0 CGADHO CCOC1CC(C[NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000638455636 378809508 /nfs/dbraw/zinc/80/95/08/378809508.db2.gz XBFSCHZUTPYKSW-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000638455219 378810713 /nfs/dbraw/zinc/81/07/13/378810713.db2.gz SSBZOTFIFBBLJZ-DOMZBBRYSA-N 1 3 286.410 3.274 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000638455219 378810719 /nfs/dbraw/zinc/81/07/19/378810719.db2.gz SSBZOTFIFBBLJZ-DOMZBBRYSA-N 1 3 286.410 3.274 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc4ccccc4s3)C[C@H]12 ZINC000346829872 218029085 /nfs/dbraw/zinc/02/90/85/218029085.db2.gz OEJOMPLHXLFICF-VHDGCEQUSA-N 1 3 272.417 3.070 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969460 378961776 /nfs/dbraw/zinc/96/17/76/378961776.db2.gz HFLVKODYCHPHQD-SFDCQRBFSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969460 378961783 /nfs/dbraw/zinc/96/17/83/378961783.db2.gz HFLVKODYCHPHQD-SFDCQRBFSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969460 378961785 /nfs/dbraw/zinc/96/17/85/378961785.db2.gz HFLVKODYCHPHQD-SFDCQRBFSA-N 1 3 286.410 3.273 20 0 CGADHO CCC[N@H+](C/C=C/c1ccc(F)cc1F)C1CCNCC1 ZINC000347088510 218116865 /nfs/dbraw/zinc/11/68/65/218116865.db2.gz FFTITNYULOIMEU-ONEGZZNKSA-N 1 3 294.389 3.442 20 0 CGADHO CCC[N@@H+](C/C=C/c1ccc(F)cc1F)C1CCNCC1 ZINC000347088510 218116867 /nfs/dbraw/zinc/11/68/67/218116867.db2.gz FFTITNYULOIMEU-ONEGZZNKSA-N 1 3 294.389 3.442 20 0 CGADHO CCC[N@H+](Cc1cccc(C)c1C)C1CCNCC1 ZINC000347097268 218120307 /nfs/dbraw/zinc/12/03/07/218120307.db2.gz JETLSVHAEJVNTG-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CCC[N@@H+](Cc1cccc(C)c1C)C1CCNCC1 ZINC000347097268 218120309 /nfs/dbraw/zinc/12/03/09/218120309.db2.gz JETLSVHAEJVNTG-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CCCN(Cc1cccc(C)c1C)C1CC[NH2+]CC1 ZINC000347097268 218120310 /nfs/dbraw/zinc/12/03/10/218120310.db2.gz JETLSVHAEJVNTG-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111399 218124268 /nfs/dbraw/zinc/12/42/68/218124268.db2.gz QDOISWDHDLMHFB-DNVCBOLYSA-N 1 3 295.430 3.450 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111399 218124270 /nfs/dbraw/zinc/12/42/70/218124270.db2.gz QDOISWDHDLMHFB-DNVCBOLYSA-N 1 3 295.430 3.450 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000347158831 218140550 /nfs/dbraw/zinc/14/05/50/218140550.db2.gz FMTSRUPHRRUIFO-ZDUSSCGKSA-N 1 3 272.417 3.196 20 0 CGADHO C[C@H](C[NH2+]C[C@H](C)CN1CCCC1)Cc1ccccc1 ZINC000347320943 218189711 /nfs/dbraw/zinc/18/97/11/218189711.db2.gz JOQRUJKVWNJLHV-IRXDYDNUSA-N 1 3 274.452 3.187 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000277159486 379085561 /nfs/dbraw/zinc/08/55/61/379085561.db2.gz KBJFTRVSLKOCJI-FUHWJXTLSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)CC1 ZINC000277159486 379085563 /nfs/dbraw/zinc/08/55/63/379085563.db2.gz KBJFTRVSLKOCJI-FUHWJXTLSA-N 1 3 272.436 3.480 20 0 CGADHO C[NH+](C)[C@H]1CCCN([C@@H]2CCCc3ccccc32)CC1 ZINC000277159486 379085565 /nfs/dbraw/zinc/08/55/65/379085565.db2.gz KBJFTRVSLKOCJI-FUHWJXTLSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000278074313 379289755 /nfs/dbraw/zinc/28/97/55/379289755.db2.gz NBPUFEZSIUCHEL-CYBMUJFWSA-N 1 3 276.399 3.351 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cccc2cccnc21 ZINC000349358656 379247401 /nfs/dbraw/zinc/24/74/01/379247401.db2.gz YCVYRXBVERTULG-UHFFFAOYSA-N 1 3 285.435 3.399 20 0 CGADHO CCN(CCC[NH+]1CCCC1)CC1(OC)CCCCC1 ZINC000349406068 379269316 /nfs/dbraw/zinc/26/93/16/379269316.db2.gz JRQWTHZETYPJAA-UHFFFAOYSA-N 1 3 282.472 3.144 20 0 CGADHO Cc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000374327256 379420998 /nfs/dbraw/zinc/42/09/98/379420998.db2.gz VKNSUVBSOQQJNG-UHFFFAOYSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000374327256 379421008 /nfs/dbraw/zinc/42/10/08/379421008.db2.gz VKNSUVBSOQQJNG-UHFFFAOYSA-N 1 3 258.409 3.055 20 0 CGADHO C([C@@H]1CCSC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000375749187 379508096 /nfs/dbraw/zinc/50/80/96/379508096.db2.gz MXXGDJKSAYKQGC-SJORKVTESA-N 1 3 296.524 3.328 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758248 379573135 /nfs/dbraw/zinc/57/31/35/379573135.db2.gz RRPIYEKOODRWCT-ZDUSSCGKSA-N 1 3 294.389 3.444 20 0 CGADHO CC(C)CN1CCCC2(CCC[N@H+](CC(C)C)C2)C1 ZINC000352017567 379750096 /nfs/dbraw/zinc/75/00/96/379750096.db2.gz HZVOSEGEDRKXNG-UHFFFAOYSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CN1CCCC2(CCC[N@@H+](CC(C)C)C2)C1 ZINC000352017567 379750099 /nfs/dbraw/zinc/75/00/99/379750099.db2.gz HZVOSEGEDRKXNG-UHFFFAOYSA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000267278466 190317773 /nfs/dbraw/zinc/31/77/73/190317773.db2.gz USNTVNKJNDPTNJ-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000267278466 190317774 /nfs/dbraw/zinc/31/77/74/190317774.db2.gz USNTVNKJNDPTNJ-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO COC1(CNC2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000378541686 379838177 /nfs/dbraw/zinc/83/81/77/379838177.db2.gz GFPMPYXOCQRUBH-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO COC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCC1 ZINC000378541686 379838185 /nfs/dbraw/zinc/83/81/85/379838185.db2.gz GFPMPYXOCQRUBH-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO Cc1ccc(CN(C)CCCC[NH+]2CCCCC2)c(C)n1 ZINC000640532708 379819147 /nfs/dbraw/zinc/81/91/47/379819147.db2.gz IQKRLBKNTPIWDE-UHFFFAOYSA-N 1 3 289.467 3.396 20 0 CGADHO Cc1ccc(CN(C)CCCC[NH+]2CCCCC2)cn1 ZINC000640534228 379820151 /nfs/dbraw/zinc/82/01/51/379820151.db2.gz OALJYGHXPBDNOQ-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO Cc1ccc(CN(C)CCCC[NH+]2CCCCC2)nc1 ZINC000640533279 379820481 /nfs/dbraw/zinc/82/04/81/379820481.db2.gz QKWDOVSQVHHXAZ-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1(C2CC2)CCC1 ZINC000391505313 379908202 /nfs/dbraw/zinc/90/82/02/379908202.db2.gz JTQDYZXSCJIBHC-GVDBMIGSSA-N 1 3 276.468 3.467 20 0 CGADHO CC[C@@H](NCCC1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000352795921 379966485 /nfs/dbraw/zinc/96/64/85/379966485.db2.gz MPLNOANUIXGMCX-MRXNPFEDSA-N 1 3 293.430 3.383 20 0 CGADHO CC(C)(C)OC1CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000352787695 379960377 /nfs/dbraw/zinc/96/03/77/379960377.db2.gz GYKCDCDAHCYCOH-UHFFFAOYSA-N 1 3 294.483 3.329 20 0 CGADHO CC(C)(C)OC1CC(NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000352787695 379960383 /nfs/dbraw/zinc/96/03/83/379960383.db2.gz GYKCDCDAHCYCOH-UHFFFAOYSA-N 1 3 294.483 3.329 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643031510 380205850 /nfs/dbraw/zinc/20/58/50/380205850.db2.gz QKUPRNGKGTWHAD-KSSFIOAISA-N 1 3 295.430 3.294 20 0 CGADHO Cc1c([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)cnn1C(C)C ZINC000414196017 380202083 /nfs/dbraw/zinc/20/20/83/380202083.db2.gz UXZAYFFNVATBBR-GOEBONIOSA-N 1 3 292.471 3.155 20 0 CGADHO Cc1c([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196017 380202087 /nfs/dbraw/zinc/20/20/87/380202087.db2.gz UXZAYFFNVATBBR-GOEBONIOSA-N 1 3 292.471 3.155 20 0 CGADHO CCCc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2n1 ZINC000643034415 380207428 /nfs/dbraw/zinc/20/74/28/380207428.db2.gz ZHSYXYGJRRAIRW-KBXCAEBGSA-N 1 3 295.430 3.376 20 0 CGADHO Cc1occc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000414393886 380220938 /nfs/dbraw/zinc/22/09/38/380220938.db2.gz HHVGLCYLZQBTML-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1C(F)(F)F ZINC000414448827 380241967 /nfs/dbraw/zinc/24/19/67/380241967.db2.gz SVXQKWINOUOCCG-OKILXGFUSA-N 1 3 298.352 3.007 20 0 CGADHO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)ccc1C(F)(F)F ZINC000414448827 380241968 /nfs/dbraw/zinc/24/19/68/380241968.db2.gz SVXQKWINOUOCCG-OKILXGFUSA-N 1 3 298.352 3.007 20 0 CGADHO Cc1ccc(CCC[NH2+]C2CCN(CC(C)C)CC2)cn1 ZINC000353931452 380242359 /nfs/dbraw/zinc/24/23/59/380242359.db2.gz QDIIFTVYROQLPZ-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO Cc1ccc(CCCNC2CC[NH+](CC(C)C)CC2)cn1 ZINC000353931452 380242363 /nfs/dbraw/zinc/24/23/63/380242363.db2.gz QDIIFTVYROQLPZ-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO CC[C@@H](Cc1cccs1)NCC1([NH3+])CCCCC1 ZINC000643496530 380318755 /nfs/dbraw/zinc/31/87/55/380318755.db2.gz ZSLJZYSCTMUDPK-ZDUSSCGKSA-N 1 3 266.454 3.320 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643503549 380326796 /nfs/dbraw/zinc/32/67/96/380326796.db2.gz YRFQQSJYGLGNHT-KEYYUXOJSA-N 1 3 288.435 3.050 20 0 CGADHO Cc1cc(C)c([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C ZINC000643521469 380335503 /nfs/dbraw/zinc/33/55/03/380335503.db2.gz JGEDTLSFJBPUAM-JKSUJKDBSA-N 1 3 260.425 3.405 20 0 CGADHO COc1ccccc1C(C)(C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000643457654 380310505 /nfs/dbraw/zinc/31/05/05/380310505.db2.gz UZLUAESQMBFZOW-CVEARBPZSA-N 1 3 290.451 3.222 20 0 CGADHO CO[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000643467462 380312987 /nfs/dbraw/zinc/31/29/87/380312987.db2.gz IWEPIUFKULFLKR-UHOFOFEASA-N 1 3 296.842 3.135 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCCNCC2)C2CC2)c1 ZINC000643464759 380314013 /nfs/dbraw/zinc/31/40/13/380314013.db2.gz FVXLCAKTLBOURR-ROUUACIJSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1noc(C)c1[C@H](C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643471074 380314676 /nfs/dbraw/zinc/31/46/76/380314676.db2.gz XVLFFWLDCGRWKN-WWGRRREGSA-N 1 3 293.455 3.295 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643548655 380364583 /nfs/dbraw/zinc/36/45/83/380364583.db2.gz SSNPNJAETSGUPE-CVEARBPZSA-N 1 3 264.457 3.466 20 0 CGADHO c1ccc([C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C2CC2)cc1 ZINC000643548502 380365653 /nfs/dbraw/zinc/36/56/53/380365653.db2.gz QFHCVGILONPAGV-SJORKVTESA-N 1 3 270.420 3.402 20 0 CGADHO c1ccc([C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643548502 380365656 /nfs/dbraw/zinc/36/56/56/380365656.db2.gz QFHCVGILONPAGV-SJORKVTESA-N 1 3 270.420 3.402 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548676 380365734 /nfs/dbraw/zinc/36/57/34/380365734.db2.gz SXUXKEGXETVLAW-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO c1ccc([C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C2CC2)cc1 ZINC000643548500 380365790 /nfs/dbraw/zinc/36/57/90/380365790.db2.gz QFHCVGILONPAGV-IAGOWNOFSA-N 1 3 270.420 3.402 20 0 CGADHO c1ccc([C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643548500 380365794 /nfs/dbraw/zinc/36/57/94/380365794.db2.gz QFHCVGILONPAGV-IAGOWNOFSA-N 1 3 270.420 3.402 20 0 CGADHO C[C@@H]1C[C@@H](CN(C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688374 380374785 /nfs/dbraw/zinc/37/47/85/380374785.db2.gz DCMDZIBNEROYIM-NEPJUHHUSA-N 1 3 284.806 3.299 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+](C)[C@H]1CCCNCC1 ZINC000414748465 380391504 /nfs/dbraw/zinc/39/15/04/380391504.db2.gz IPSFJZJJIILLGO-AEFFLSMTSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000414748465 380391510 /nfs/dbraw/zinc/39/15/10/380391510.db2.gz IPSFJZJJIILLGO-AEFFLSMTSA-N 1 3 274.452 3.329 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000643524034 380341227 /nfs/dbraw/zinc/34/12/27/380341227.db2.gz AUXYUDVOQPNKPQ-CWVYHPPDSA-N 1 3 252.446 3.307 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000643528193 380345354 /nfs/dbraw/zinc/34/53/54/380345354.db2.gz FIZGANQYMSLDOX-GJZGRUSLSA-N 1 3 284.403 3.263 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000643534608 380350052 /nfs/dbraw/zinc/35/00/52/380350052.db2.gz YSCOVUZHCLCLGJ-YGRLFVJLSA-N 1 3 282.790 3.272 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000414813558 380424532 /nfs/dbraw/zinc/42/45/32/380424532.db2.gz UAASDBPBHNEXET-JKSUJKDBSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@@H](N)CC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414819628 380429592 /nfs/dbraw/zinc/42/95/92/380429592.db2.gz HZHZMMGVDCSKRH-HPUBIQBYSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCCNC1 ZINC000414818938 380430256 /nfs/dbraw/zinc/43/02/56/380430256.db2.gz GGTPRDNIQQIGTJ-UMVBOHGHSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)c1ccccc1 ZINC000414826101 380436009 /nfs/dbraw/zinc/43/60/09/380436009.db2.gz ILZHFAIBFKKJDI-GJPPYFGTSA-N 1 3 258.409 3.051 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414845508 380449615 /nfs/dbraw/zinc/44/96/15/380449615.db2.gz DPELKUYSAVCGFV-VGWMRTNUSA-N 1 3 254.462 3.425 20 0 CGADHO Clc1ccsc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772797 380399378 /nfs/dbraw/zinc/39/93/78/380399378.db2.gz CMJFDPHOGWQIET-NWDGAFQWSA-N 1 3 284.856 3.223 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@@H]2NC[C@@H]2CCC[NH2+]2)cc1 ZINC000414854473 380455640 /nfs/dbraw/zinc/45/56/40/380455640.db2.gz ZLOFWOFUGSGAIC-BZSNNMDCSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCN2)cc1 ZINC000414854473 380455647 /nfs/dbraw/zinc/45/56/47/380455647.db2.gz ZLOFWOFUGSGAIC-BZSNNMDCSA-N 1 3 272.436 3.130 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H](N)C(C)C ZINC000414796124 380410993 /nfs/dbraw/zinc/41/09/93/380410993.db2.gz NNTTXKDNQITORE-CQSZACIVSA-N 1 3 254.805 3.030 20 0 CGADHO CCSc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414800075 380412785 /nfs/dbraw/zinc/41/27/85/380412785.db2.gz KOKSYRXARABPON-HOCLYGCPSA-N 1 3 278.465 3.406 20 0 CGADHO Cc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414804422 380416865 /nfs/dbraw/zinc/41/68/65/380416865.db2.gz DVXJANMQGJUHPZ-AWEZNQCLSA-N 1 3 254.377 3.305 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000414927991 380492012 /nfs/dbraw/zinc/49/20/12/380492012.db2.gz PSYFEAKSRJFKMC-QWRGUYRKSA-N 1 3 273.207 3.353 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCN1 ZINC000414940586 380497996 /nfs/dbraw/zinc/49/79/96/380497996.db2.gz BUDHZXHBCCVRSG-BASLNEPJSA-N 1 3 276.399 3.192 20 0 CGADHO [NH3+]C1(CN[C@H]2CCc3ccccc3C2)CCCCCC1 ZINC000414857733 380460302 /nfs/dbraw/zinc/46/03/02/380460302.db2.gz FPTZFZAOOKVFLH-KRWDZBQOSA-N 1 3 272.436 3.185 20 0 CGADHO Cc1ccc(CCC[NH2+]CC[C@H](C)N2CCCCC2)cn1 ZINC000354658551 380518169 /nfs/dbraw/zinc/51/81/69/380518169.db2.gz JHWFYFXGPSSFTE-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccc(CCCNCC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000354658551 380518179 /nfs/dbraw/zinc/51/81/79/380518179.db2.gz JHWFYFXGPSSFTE-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414864514 380463501 /nfs/dbraw/zinc/46/35/01/380463501.db2.gz YQTZWHPDOGSFRL-RRQGHBQHSA-N 1 3 276.399 3.051 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414863799 380463721 /nfs/dbraw/zinc/46/37/21/380463721.db2.gz YFBHTUSNBRCXJC-SQWLQELKSA-N 1 3 292.492 3.317 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414863799 380463724 /nfs/dbraw/zinc/46/37/24/380463724.db2.gz YFBHTUSNBRCXJC-SQWLQELKSA-N 1 3 292.492 3.317 20 0 CGADHO C[C@H](NCc1csc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000414863860 380464017 /nfs/dbraw/zinc/46/40/17/380464017.db2.gz YIHULSGAZXECED-QWHCGFSZSA-N 1 3 274.433 3.379 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000414874816 380470454 /nfs/dbraw/zinc/47/04/54/380470454.db2.gz ZJWWMSPBJYCGCV-OWLYRPNTSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H](CN)C[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414880859 380471588 /nfs/dbraw/zinc/47/15/88/380471588.db2.gz RFJFOVOFVODKQS-QGZVFWFLSA-N 1 3 296.458 3.272 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(-c2ccccc2)s1 ZINC000414878742 380472164 /nfs/dbraw/zinc/47/21/64/380472164.db2.gz HGWCNMLVAVCHLL-LBPRGKRZSA-N 1 3 260.406 3.242 20 0 CGADHO Cc1ccccc1-c1cccc(CN[C@H](C)CC[NH3+])c1 ZINC000414882990 380474006 /nfs/dbraw/zinc/47/40/06/380474006.db2.gz MMPMNNHMCKHBJB-OAHLLOKOSA-N 1 3 268.404 3.489 20 0 CGADHO Cc1ccc(COc2ccc(CNC[C@H](C)C[NH3+])cc2)cc1 ZINC000414883469 380474026 /nfs/dbraw/zinc/47/40/26/380474026.db2.gz UYYSXACOQQPABU-MRXNPFEDSA-N 1 3 298.430 3.258 20 0 CGADHO CC(C)C[C@H](CNCC1([NH3+])CCC1)c1ccccc1 ZINC000414887104 380475860 /nfs/dbraw/zinc/47/58/60/380475860.db2.gz YRMUUPWJNKKGHM-MRXNPFEDSA-N 1 3 260.425 3.287 20 0 CGADHO N[C@H](C[NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000414895206 380477680 /nfs/dbraw/zinc/47/76/80/380477680.db2.gz MWTHHVBVSCGSMF-MRXNPFEDSA-N 1 3 272.417 3.242 20 0 CGADHO c1ccc(C[C@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414900959 380481899 /nfs/dbraw/zinc/48/18/99/380481899.db2.gz FIXXNNLWFIMAFE-KURKYZTESA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323784 380593295 /nfs/dbraw/zinc/59/32/95/380593295.db2.gz PDUUYVVRCKTSRL-CQJMVSDSSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323784 380593299 /nfs/dbraw/zinc/59/32/99/380593299.db2.gz PDUUYVVRCKTSRL-CQJMVSDSSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323784 380593306 /nfs/dbraw/zinc/59/33/06/380593306.db2.gz PDUUYVVRCKTSRL-CQJMVSDSSA-N 1 3 290.476 3.457 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000646001948 380795597 /nfs/dbraw/zinc/79/55/97/380795597.db2.gz BEUCYSWSSNSFIK-MRXNPFEDSA-N 1 3 276.399 3.279 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333233 380852878 /nfs/dbraw/zinc/85/28/78/380852878.db2.gz SMOOQYLYGOYHNZ-RDBSUJKOSA-N 1 3 294.389 3.347 20 0 CGADHO CC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000356888246 380922855 /nfs/dbraw/zinc/92/28/55/380922855.db2.gz ZFDVNYHUCXYOMG-RCCFBDPRSA-N 1 3 284.447 3.287 20 0 CGADHO CC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000356888245 380923622 /nfs/dbraw/zinc/92/36/22/380923622.db2.gz ZFDVNYHUCXYOMG-OKZBNKHCSA-N 1 3 284.447 3.287 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000359101021 381337342 /nfs/dbraw/zinc/33/73/42/381337342.db2.gz CGKYTBZCRRZCSI-RYRKJORJSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCOC2)CC1 ZINC000359101021 381337346 /nfs/dbraw/zinc/33/73/46/381337346.db2.gz CGKYTBZCRRZCSI-RYRKJORJSA-N 1 3 294.483 3.046 20 0 CGADHO COC1(C[NH2+]C[C@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000359732420 381364402 /nfs/dbraw/zinc/36/44/02/381364402.db2.gz DIQYGYOCWGZEGX-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO COC1(CNC[C@H]2CCC[N@@H+](C(C)C)C2)CCCCC1 ZINC000359732420 381364409 /nfs/dbraw/zinc/36/44/09/381364409.db2.gz DIQYGYOCWGZEGX-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO COC1(CNC[C@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000359732420 381364424 /nfs/dbraw/zinc/36/44/24/381364424.db2.gz DIQYGYOCWGZEGX-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO C[N@H+](CCc1ccccc1)Cc1ccc2c(c1)CNCC2 ZINC000211880173 542284960 /nfs/dbraw/zinc/28/49/60/542284960.db2.gz MJAFTUBFLVBDRY-UHFFFAOYSA-N 1 3 280.415 3.007 20 0 CGADHO C[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)CNCC2 ZINC000211880173 542284962 /nfs/dbraw/zinc/28/49/62/542284962.db2.gz MJAFTUBFLVBDRY-UHFFFAOYSA-N 1 3 280.415 3.007 20 0 CGADHO CCC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000360862895 381630982 /nfs/dbraw/zinc/63/09/82/381630982.db2.gz XRKFWAFWOAHNOF-WMLDXEAASA-N 1 3 278.440 3.466 20 0 CGADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccncc1 ZINC000362279898 381929611 /nfs/dbraw/zinc/92/96/11/381929611.db2.gz SIORRBWAWJGJQS-SFHVURJKSA-N 1 3 296.418 3.186 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362925167 382150692 /nfs/dbraw/zinc/15/06/92/382150692.db2.gz RMQLPKWMENTNEV-GDBMZVCRSA-N 1 3 289.398 3.269 20 0 CGADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366484999 382310718 /nfs/dbraw/zinc/31/07/18/382310718.db2.gz UXLFEBDCYSNAHO-HNNXBMFYSA-N 1 3 298.352 3.233 20 0 CGADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366484999 382310721 /nfs/dbraw/zinc/31/07/21/382310721.db2.gz UXLFEBDCYSNAHO-HNNXBMFYSA-N 1 3 298.352 3.233 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000251147303 542345843 /nfs/dbraw/zinc/34/58/43/542345843.db2.gz GEINXAMACOBKQG-SJLPKXTDSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143130 296339015 /nfs/dbraw/zinc/33/90/15/296339015.db2.gz DUNRMBZNRRMVCX-OCCSQVGLSA-N 1 3 252.446 3.464 20 0 CGADHO COc1ccccc1[C@@H](NC[C@H](C)C[NH3+])C1CCCC1 ZINC000423302824 532981046 /nfs/dbraw/zinc/98/10/46/532981046.db2.gz VZOGZBADRVRWHE-DYVFJYSZSA-N 1 3 276.424 3.111 20 0 CGADHO c1ccc2ncc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000335329910 208205109 /nfs/dbraw/zinc/20/51/09/208205109.db2.gz YIHMLVVEBWVULY-GOSISDBHSA-N 1 3 295.430 3.056 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000339074053 542486064 /nfs/dbraw/zinc/48/60/64/542486064.db2.gz IILZGNBXFZKFPM-WCXIOVBPSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339074053 542486067 /nfs/dbraw/zinc/48/60/67/542486067.db2.gz IILZGNBXFZKFPM-WCXIOVBPSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074053 542486069 /nfs/dbraw/zinc/48/60/69/542486069.db2.gz IILZGNBXFZKFPM-WCXIOVBPSA-N 1 3 294.483 3.044 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348099723 542513357 /nfs/dbraw/zinc/51/33/57/542513357.db2.gz DWYKZDAPCKEASV-IRXDYDNUSA-N 1 3 258.409 3.026 20 0 CGADHO CSCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915821 533579934 /nfs/dbraw/zinc/57/99/34/533579934.db2.gz RKPIMAVXRQFABG-RDJZCZTQSA-N 1 3 292.492 3.334 20 0 CGADHO CSCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915821 533579936 /nfs/dbraw/zinc/57/99/36/533579936.db2.gz RKPIMAVXRQFABG-RDJZCZTQSA-N 1 3 292.492 3.334 20 0 CGADHO COc1cccc(C[C@@H]([NH2+]CC(C)(C)N)c2ccccc2)c1 ZINC000423286436 533540355 /nfs/dbraw/zinc/54/03/55/533540355.db2.gz HGTPPKUCHYCDEF-GOSISDBHSA-N 1 3 298.430 3.306 20 0 CGADHO Cc1cc(CN2CCCC23CC[NH+](C)CC3)ccc1F ZINC000364957546 533600199 /nfs/dbraw/zinc/60/01/99/533600199.db2.gz WLFKALFPYGOZLO-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)ccc1F ZINC000364957546 533600205 /nfs/dbraw/zinc/60/02/05/533600205.db2.gz WLFKALFPYGOZLO-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)ccc1F ZINC000364957546 533600209 /nfs/dbraw/zinc/60/02/09/533600209.db2.gz WLFKALFPYGOZLO-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414933397 542641142 /nfs/dbraw/zinc/64/11/42/542641142.db2.gz WVQNFSHFDJTREK-DAXOMENPSA-N 1 3 264.388 3.006 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000414935388 542641801 /nfs/dbraw/zinc/64/18/01/542641801.db2.gz YKTKNRDOWQBDIN-VXGBXAGGSA-N 1 3 284.806 3.271 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCCc2c(F)cccc2Cl)C1 ZINC000414935388 542641804 /nfs/dbraw/zinc/64/18/04/542641804.db2.gz YKTKNRDOWQBDIN-VXGBXAGGSA-N 1 3 284.806 3.271 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070091555 392177353 /nfs/dbraw/zinc/17/73/53/392177353.db2.gz GBZGKSGTLFLUSF-STQMWFEESA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070091555 392177359 /nfs/dbraw/zinc/17/73/59/392177359.db2.gz GBZGKSGTLFLUSF-STQMWFEESA-N 1 3 264.438 3.191 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090720253 392230003 /nfs/dbraw/zinc/23/00/03/392230003.db2.gz NUAZCMJXSXZXQE-RHSMWYFYSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720253 392230005 /nfs/dbraw/zinc/23/00/05/392230005.db2.gz NUAZCMJXSXZXQE-RHSMWYFYSA-N 1 3 260.425 3.382 20 0 CGADHO C[C@@H](CC[N@H+]1CC[C@@H](C)[C@H]1C)N1CC[C@H](C)[C@@H]1C ZINC000431599957 542653052 /nfs/dbraw/zinc/65/30/52/542653052.db2.gz LCMHCHNAJFFOOW-CWVYHPPDSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000431599957 542653047 /nfs/dbraw/zinc/65/30/47/542653047.db2.gz LCMHCHNAJFFOOW-CWVYHPPDSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](C)[C@@H]1C ZINC000431599957 542653049 /nfs/dbraw/zinc/65/30/49/542653049.db2.gz LCMHCHNAJFFOOW-CWVYHPPDSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@H]1C)N1CC[C@H](C)[C@@H]1C ZINC000431599957 542653050 /nfs/dbraw/zinc/65/30/50/542653050.db2.gz LCMHCHNAJFFOOW-CWVYHPPDSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252674898 131136302 /nfs/dbraw/zinc/13/63/02/131136302.db2.gz VLBJEEBTNZNTEA-OIISXLGYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252674898 131136303 /nfs/dbraw/zinc/13/63/03/131136303.db2.gz VLBJEEBTNZNTEA-OIISXLGYSA-N 1 3 258.409 3.007 20 0 CGADHO c1ccc([C@@H]2CC[C@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423362224 285488462 /nfs/dbraw/zinc/48/84/62/285488462.db2.gz MXVDCEBMPFAJOL-ZACQAIPSSA-N 1 3 258.409 3.054 20 0 CGADHO CC[C@H](CSC)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000132471314 392460506 /nfs/dbraw/zinc/46/05/06/392460506.db2.gz WUCJBOLJWDUDSW-MJBXVCDLSA-N 1 3 258.475 3.028 20 0 CGADHO CCC(CC)C[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000153891383 392531553 /nfs/dbraw/zinc/53/15/53/392531553.db2.gz UVQPNMIYWWLSCS-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CCC(CC)C[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000153891383 392531562 /nfs/dbraw/zinc/53/15/62/392531562.db2.gz UVQPNMIYWWLSCS-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000370670550 392508114 /nfs/dbraw/zinc/50/81/14/392508114.db2.gz DRVXAVGPFMJIDJ-JJXSEGSLSA-N 1 3 252.446 3.418 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000296084044 392554181 /nfs/dbraw/zinc/55/41/81/392554181.db2.gz STGYWIMVVKNCGE-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090757 392670260 /nfs/dbraw/zinc/67/02/60/392670260.db2.gz ZEPDHZDRQMHRQR-XHBSWPGZSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090757 392670262 /nfs/dbraw/zinc/67/02/62/392670262.db2.gz ZEPDHZDRQMHRQR-XHBSWPGZSA-N 1 3 278.827 3.400 20 0 CGADHO CC(C)C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000647288715 392638836 /nfs/dbraw/zinc/63/88/36/392638836.db2.gz LTDRHQPSTKUDDP-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288715 392638839 /nfs/dbraw/zinc/63/88/39/392638839.db2.gz LTDRHQPSTKUDDP-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO CCCN1CCN(c2ccccc2C[NH+](CC)CC)CC1 ZINC000505301200 392657487 /nfs/dbraw/zinc/65/74/87/392657487.db2.gz GAEXRBGPYYSZIW-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO CC[C@H]1C[N@H+](CCc2ccc(C(C)C)cc2)CC[C@H]1N ZINC000647497452 392740762 /nfs/dbraw/zinc/74/07/62/392740762.db2.gz IJJGAFMXNBPBAR-FUHWJXTLSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@H]1C[N@@H+](CCc2ccc(C(C)C)cc2)CC[C@H]1N ZINC000647497452 392740763 /nfs/dbraw/zinc/74/07/63/392740763.db2.gz IJJGAFMXNBPBAR-FUHWJXTLSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)[C@H](CN1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000647530951 392752270 /nfs/dbraw/zinc/75/22/70/392752270.db2.gz RBHIOWXWUWKSNO-INIZCTEOSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)[C@H](C[NH+]1CCC(C)(N)CC1)c1ccccc1 ZINC000647530951 392752277 /nfs/dbraw/zinc/75/22/77/392752277.db2.gz RBHIOWXWUWKSNO-INIZCTEOSA-N 1 3 260.425 3.239 20 0 CGADHO Fc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1F ZINC000647543570 392761009 /nfs/dbraw/zinc/76/10/09/392761009.db2.gz PPSXVFMOVUZRNB-KGLIPLIRSA-N 1 3 294.389 3.176 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccc(C3CC3)cc2)cc1 ZINC000647553138 392765489 /nfs/dbraw/zinc/76/54/89/392765489.db2.gz BVGDNURUNFRFJI-UHFFFAOYSA-N 1 3 266.388 3.313 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3cccnc32)[C@@H]2CCC[C@@H]21 ZINC000375894819 392837132 /nfs/dbraw/zinc/83/71/32/392837132.db2.gz GTOSTRXZCUESRH-BZSNNMDCSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3cccnc32)[C@@H]2CCC[C@@H]21 ZINC000375894819 392837139 /nfs/dbraw/zinc/83/71/39/392837139.db2.gz GTOSTRXZCUESRH-BZSNNMDCSA-N 1 3 295.430 3.197 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)s1 ZINC000375887797 392837685 /nfs/dbraw/zinc/83/76/85/392837685.db2.gz JNEYITXWCRDUKC-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000375887797 392837688 /nfs/dbraw/zinc/83/76/88/392837688.db2.gz JNEYITXWCRDUKC-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000375887797 392837691 /nfs/dbraw/zinc/83/76/91/392837691.db2.gz JNEYITXWCRDUKC-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2CCC(F)CC2)c2ccccc21 ZINC000647803744 392804592 /nfs/dbraw/zinc/80/45/92/392804592.db2.gz AKGMMONELOEHBR-INCPQMAJSA-N 1 3 262.372 3.249 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647803961 392805418 /nfs/dbraw/zinc/80/54/18/392805418.db2.gz GEKIOMPMEBMVRD-LMWSTFAQSA-N 1 3 279.403 3.028 20 0 CGADHO c1cc2c(ccnc2N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000647847753 392813854 /nfs/dbraw/zinc/81/38/54/392813854.db2.gz OMWLTCUXBOGMHX-HNNXBMFYSA-N 1 3 292.386 3.249 20 0 CGADHO c1cc2c(ccnc2N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000647847753 392813858 /nfs/dbraw/zinc/81/38/58/392813858.db2.gz OMWLTCUXBOGMHX-HNNXBMFYSA-N 1 3 292.386 3.249 20 0 CGADHO CN(C)[C@@H](CNc1[nH+]ccc2[nH]ccc21)c1ccsc1 ZINC000647854716 392815449 /nfs/dbraw/zinc/81/54/49/392815449.db2.gz BOFNAXPWGWBVTG-AWEZNQCLSA-N 1 3 286.404 3.339 20 0 CGADHO C(CC1CC[NH2+]CC1)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000647889402 392826626 /nfs/dbraw/zinc/82/66/26/392826626.db2.gz NIOBKUWNPXBZRT-HOTGVXAUSA-N 1 3 282.497 3.126 20 0 CGADHO Cc1ccc([C@@H]2CCCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647884940 392826978 /nfs/dbraw/zinc/82/69/78/392826978.db2.gz OFPZVMJLNUQYRI-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647989163 392858962 /nfs/dbraw/zinc/85/89/62/392858962.db2.gz RMZDPJIGRZSCLU-WBVHZDCISA-N 1 3 258.409 3.050 20 0 CGADHO Cc1ccsc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000336522838 392860677 /nfs/dbraw/zinc/86/06/77/392860677.db2.gz MTFBNESJLFXING-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO Cc1ccsc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000336522838 392860685 /nfs/dbraw/zinc/86/06/85/392860685.db2.gz MTFBNESJLFXING-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN4CCC[C@H]4C3)C[C@@H]2C1 ZINC000339076649 392945098 /nfs/dbraw/zinc/94/50/98/392945098.db2.gz WIAIYIBQZCIVBL-HMDCTGQHSA-N 1 3 262.441 3.172 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414996350 393084751 /nfs/dbraw/zinc/08/47/51/393084751.db2.gz XPDYTFPPIFVKCQ-SMDDNHRTSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC000346356142 393085808 /nfs/dbraw/zinc/08/58/08/393085808.db2.gz CPUYAVMHZYXEOM-JFIYKMOQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC000346356148 393085943 /nfs/dbraw/zinc/08/59/43/393085943.db2.gz CPUYAVMHZYXEOM-SOLBZPMBSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)(C)c1cnc(CNC(C)(C)CCC[NH3+])s1 ZINC000415016935 393098147 /nfs/dbraw/zinc/09/81/47/393098147.db2.gz QUCIERJBCHWXCO-UHFFFAOYSA-N 1 3 269.458 3.048 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000415032737 393105127 /nfs/dbraw/zinc/10/51/27/393105127.db2.gz IEXHWDHPZSDLOQ-SKDRFNHKSA-N 1 3 273.207 3.210 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1C[C@H]1C ZINC000414087280 393038940 /nfs/dbraw/zinc/03/89/40/393038940.db2.gz ABFCHZDAADHJPS-TWMKSMIVSA-N 1 3 266.473 3.379 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000414922817 393058172 /nfs/dbraw/zinc/05/81/72/393058172.db2.gz HFKLXISUHUOPNQ-IRXDYDNUSA-N 1 3 260.425 3.212 20 0 CGADHO CC(C)c1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414922817 393058177 /nfs/dbraw/zinc/05/81/77/393058177.db2.gz HFKLXISUHUOPNQ-IRXDYDNUSA-N 1 3 260.425 3.212 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC000414950986 393060829 /nfs/dbraw/zinc/06/08/29/393060829.db2.gz PIKWKQPXWTXIGX-NRSFXHEJSA-N 1 3 272.436 3.128 20 0 CGADHO CCC[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000414952810 393061531 /nfs/dbraw/zinc/06/15/31/393061531.db2.gz QZZJXAUXDJNNSF-OIISXLGYSA-N 1 3 260.425 3.300 20 0 CGADHO CCC[C@H](CN[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414952810 393061534 /nfs/dbraw/zinc/06/15/34/393061534.db2.gz QZZJXAUXDJNNSF-OIISXLGYSA-N 1 3 260.425 3.300 20 0 CGADHO C(C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246785994 393064746 /nfs/dbraw/zinc/06/47/46/393064746.db2.gz MBCSZWDJRCJPEM-DOTOQJQBSA-N 1 3 262.441 3.125 20 0 CGADHO C(C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246785994 393064750 /nfs/dbraw/zinc/06/47/50/393064750.db2.gz MBCSZWDJRCJPEM-DOTOQJQBSA-N 1 3 262.441 3.125 20 0 CGADHO C[NH2+][C@H](C)CNCC1CCC(c2ccccc2)CC1 ZINC000414963341 393069104 /nfs/dbraw/zinc/06/91/04/393069104.db2.gz AQQVJFXUJFKQAC-HPUBIQBYSA-N 1 3 260.425 3.158 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CCO1 ZINC000648510803 393073416 /nfs/dbraw/zinc/07/34/16/393073416.db2.gz XVJWBXKNEHZYFY-KYHPRHEASA-N 1 3 294.483 3.187 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000415045460 393110691 /nfs/dbraw/zinc/11/06/91/393110691.db2.gz UAZPJAWAERSEIL-ZYHUDNBSSA-N 1 3 293.461 3.089 20 0 CGADHO CCc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415055841 393116763 /nfs/dbraw/zinc/11/67/63/393116763.db2.gz RKUKDZMSCARXRP-MSOLQXFVSA-N 1 3 272.436 3.213 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000415068992 393126441 /nfs/dbraw/zinc/12/64/41/393126441.db2.gz OBXOXYFHWTYMOU-WMZOPIPTSA-N 1 3 272.436 3.130 20 0 CGADHO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415071167 393128368 /nfs/dbraw/zinc/12/83/68/393128368.db2.gz SIIRPGBMKZFWHB-QZTJIDSGSA-N 1 3 272.436 3.363 20 0 CGADHO CC(C)COc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000415077495 393131782 /nfs/dbraw/zinc/13/17/82/393131782.db2.gz FHNNHDUDFXUZSP-CQSZACIVSA-N 1 3 276.424 3.124 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1ccc(F)cc1Cl ZINC000415083046 393136426 /nfs/dbraw/zinc/13/64/26/393136426.db2.gz DYBAGBLIHBTCTO-RISCZKNCSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@H]1CC[N@H+](C[C@H]2CCCNC2)CC12CCCCC2 ZINC000261648413 393141420 /nfs/dbraw/zinc/14/14/20/393141420.db2.gz AWUPHXBUQADUJL-HOTGVXAUSA-N 1 3 264.457 3.278 20 0 CGADHO C[C@H]1CC[N@@H+](C[C@H]2CCCNC2)CC12CCCCC2 ZINC000261648413 393141425 /nfs/dbraw/zinc/14/14/25/393141425.db2.gz AWUPHXBUQADUJL-HOTGVXAUSA-N 1 3 264.457 3.278 20 0 CGADHO c1sc2ccccc2c1CCNC[C@H]1CCC[NH2+]C1 ZINC000415090930 393143349 /nfs/dbraw/zinc/14/33/49/393143349.db2.gz ZUVPBZUYVOJCPL-ZDUSSCGKSA-N 1 3 274.433 3.033 20 0 CGADHO c1sc2ccccc2c1CC[NH2+]C[C@H]1CCCNC1 ZINC000415090930 393143356 /nfs/dbraw/zinc/14/33/56/393143356.db2.gz ZUVPBZUYVOJCPL-ZDUSSCGKSA-N 1 3 274.433 3.033 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415115107 393149095 /nfs/dbraw/zinc/14/90/95/393149095.db2.gz UECRTFNEZXSNTL-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415115107 393149099 /nfs/dbraw/zinc/14/90/99/393149099.db2.gz UECRTFNEZXSNTL-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO c1cc2cccc(C[N@H+]3CC[C@@H](CN4CCCCC4)C3)c2[nH]1 ZINC000271197563 393246665 /nfs/dbraw/zinc/24/66/65/393246665.db2.gz VBSNQIKRKRZFQW-INIZCTEOSA-N 1 3 297.446 3.476 20 0 CGADHO c1cc2cccc(C[N@@H+]3CC[C@@H](CN4CCCCC4)C3)c2[nH]1 ZINC000271197563 393246671 /nfs/dbraw/zinc/24/66/71/393246671.db2.gz VBSNQIKRKRZFQW-INIZCTEOSA-N 1 3 297.446 3.476 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCC1CC1)CN1CCCCC1 ZINC000469796552 393216514 /nfs/dbraw/zinc/21/65/14/393216514.db2.gz GWLFLUQMDUNYIR-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(F)(F)CC1 ZINC000647168446 393365476 /nfs/dbraw/zinc/36/54/76/393365476.db2.gz VSXZVOLRLDNOHP-CYBMUJFWSA-N 1 3 274.399 3.418 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000475159439 393379887 /nfs/dbraw/zinc/37/98/87/393379887.db2.gz YDUWFZHPLTVWRK-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000483500241 393442463 /nfs/dbraw/zinc/44/24/63/393442463.db2.gz GVUFJHJPISTSNX-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000483500241 393442470 /nfs/dbraw/zinc/44/24/70/393442470.db2.gz GVUFJHJPISTSNX-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO NCCC[N@H+](CCCCC1CCOCC1)CC1CCCC1 ZINC000420319752 393465179 /nfs/dbraw/zinc/46/51/79/393465179.db2.gz SBKBBSGKAQKERK-UHFFFAOYSA-N 1 3 296.499 3.424 20 0 CGADHO NCCC[N@@H+](CCCCC1CCOCC1)CC1CCCC1 ZINC000420319752 393465183 /nfs/dbraw/zinc/46/51/83/393465183.db2.gz SBKBBSGKAQKERK-UHFFFAOYSA-N 1 3 296.499 3.424 20 0 CGADHO Fc1ccc2c(c1)[C@H](N1CCC([C@H]3CCC[NH2+]3)CC1)CC2 ZINC000420331189 393470221 /nfs/dbraw/zinc/47/02/21/393470221.db2.gz DAPLWGUWHGEWPD-QZTJIDSGSA-N 1 3 288.410 3.277 20 0 CGADHO CC[C@@H](c1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359002 393471941 /nfs/dbraw/zinc/47/19/41/393471941.db2.gz FLNSRQXOBNQKLS-DLBZAZTESA-N 1 3 258.409 3.213 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000429545610 393477700 /nfs/dbraw/zinc/47/77/00/393477700.db2.gz DECCRQBNIMQWJJ-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000429545610 393477705 /nfs/dbraw/zinc/47/77/05/393477705.db2.gz DECCRQBNIMQWJJ-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)CS1 ZINC000488449061 393518689 /nfs/dbraw/zinc/51/86/89/393518689.db2.gz OOWVVEDEIJEGLR-JKSUJKDBSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)CS1 ZINC000488449061 393518692 /nfs/dbraw/zinc/51/86/92/393518692.db2.gz OOWVVEDEIJEGLR-JKSUJKDBSA-N 1 3 284.513 3.228 20 0 CGADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420821 393612948 /nfs/dbraw/zinc/61/29/48/393612948.db2.gz DEAJYNPMUQCLAT-HUUCEWRRSA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccs1 ZINC000432420821 393612950 /nfs/dbraw/zinc/61/29/50/393612950.db2.gz DEAJYNPMUQCLAT-HUUCEWRRSA-N 1 3 296.480 3.290 20 0 CGADHO C[C@@H](CCN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976479 393624407 /nfs/dbraw/zinc/62/44/07/393624407.db2.gz GOSMDRSMXUYRES-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360984944 393629488 /nfs/dbraw/zinc/62/94/88/393629488.db2.gz SRGNOKWCMHXCNS-VNQPRFMTSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360984944 393629492 /nfs/dbraw/zinc/62/94/92/393629492.db2.gz SRGNOKWCMHXCNS-VNQPRFMTSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000360984944 393629497 /nfs/dbraw/zinc/62/94/97/393629497.db2.gz SRGNOKWCMHXCNS-VNQPRFMTSA-N 1 3 278.465 3.286 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000422762730 393642333 /nfs/dbraw/zinc/64/23/33/393642333.db2.gz OCFRPQHXMBNCEW-ZWKOTPCHSA-N 1 3 274.452 3.460 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422820237 393644246 /nfs/dbraw/zinc/64/42/46/393644246.db2.gz PPDSRVQYKSYSSF-CRWXNKLISA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H](N[C@H]1CC(C)(C)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000422994172 393648000 /nfs/dbraw/zinc/64/80/00/393648000.db2.gz USRRENNXOPMLTG-ZQIUZPCESA-N 1 3 272.436 3.387 20 0 CGADHO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)[C@H]1CCCNC1 ZINC000422994172 393648002 /nfs/dbraw/zinc/64/80/02/393648002.db2.gz USRRENNXOPMLTG-ZQIUZPCESA-N 1 3 272.436 3.387 20 0 CGADHO CC[C@H](NCC1(C)CCC(OC)CC1)[C@H]1CCCC[NH2+]1 ZINC000423091108 393650313 /nfs/dbraw/zinc/65/03/13/393650313.db2.gz ZJPGJXUXVRPMBY-VUROTCPHSA-N 1 3 282.472 3.092 20 0 CGADHO C[C@@H]([NH2+]CCC1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000432856935 393653353 /nfs/dbraw/zinc/65/33/53/393653353.db2.gz BZRKZRUOJMTSNM-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423273686 393657552 /nfs/dbraw/zinc/65/75/52/393657552.db2.gz KVLMUBRGXCSKJJ-KBPBESRZSA-N 1 3 297.240 3.009 20 0 CGADHO CC(C)c1ccc2c(c1)[C@H](NC[C@H](C)C[NH3+])CCCO2 ZINC000423296850 393659898 /nfs/dbraw/zinc/65/98/98/393659898.db2.gz HTDPIKNCRNWEEV-CZUORRHYSA-N 1 3 276.424 3.208 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C[C@H]1C ZINC000423400484 393665873 /nfs/dbraw/zinc/66/58/73/393665873.db2.gz VNNUAAVZVUFIEI-PBFPGSCMSA-N 1 3 258.409 3.204 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000423476516 393670386 /nfs/dbraw/zinc/67/03/86/393670386.db2.gz SOGPYDWUIBUDIE-QWHCGFSZSA-N 1 3 297.240 3.072 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CCCNC2CC2)c2ccccc21 ZINC000423516638 393671444 /nfs/dbraw/zinc/67/14/44/393671444.db2.gz AYFUGYXCIDNQOU-GUYCJALGSA-N 1 3 258.409 3.357 20 0 CGADHO CC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535935 393673351 /nfs/dbraw/zinc/67/33/51/393673351.db2.gz YPLINRFGWDXYSJ-CHWSQXEVSA-N 1 3 252.427 3.306 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1c(Cl)cccc1OC(F)F ZINC000666941480 542827369 /nfs/dbraw/zinc/82/73/69/542827369.db2.gz FFLZMQPHTDLVIR-VIFPVBQESA-N 1 3 292.757 3.158 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)NCCC[NH+]1CCCCC1 ZINC000445881797 393833379 /nfs/dbraw/zinc/83/33/79/393833379.db2.gz WABORQGMFCHVCW-CYBMUJFWSA-N 1 3 280.378 3.429 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(F)cc1 ZINC000666993727 542832228 /nfs/dbraw/zinc/83/22/28/542832228.db2.gz GLTFFHZJRJHOSR-XJKSGUPXSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(F)cc1 ZINC000666993727 542832232 /nfs/dbraw/zinc/83/22/32/542832232.db2.gz GLTFFHZJRJHOSR-XJKSGUPXSA-N 1 3 276.399 3.194 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449133564 393875625 /nfs/dbraw/zinc/87/56/25/393875625.db2.gz YXKGXIRFXKKCBX-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995214 542832618 /nfs/dbraw/zinc/83/26/18/542832618.db2.gz GLIPYYJJSAUIOD-UONOGXRCSA-N 1 3 250.430 3.220 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666993773 542832800 /nfs/dbraw/zinc/83/28/00/542832800.db2.gz IEIKNDSZROZNAB-ULQDDVLXSA-N 1 3 270.420 3.054 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666993773 542832803 /nfs/dbraw/zinc/83/28/03/542832803.db2.gz IEIKNDSZROZNAB-ULQDDVLXSA-N 1 3 270.420 3.054 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666997088 542833521 /nfs/dbraw/zinc/83/35/21/542833521.db2.gz WOTQQSJCIXBHHJ-ILXRZTDVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC000666995734 542833879 /nfs/dbraw/zinc/83/38/79/542833879.db2.gz YEAARHJOOAUDBU-APIJFGDWSA-N 1 3 250.430 3.075 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000453073667 394162443 /nfs/dbraw/zinc/16/24/43/394162443.db2.gz FVIVLINJLNJZLF-SFHVURJKSA-N 1 3 272.436 3.417 20 0 CGADHO CC[C@H](NCCCC[N@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453419379 394241124 /nfs/dbraw/zinc/24/11/24/394241124.db2.gz ZAAIHSAFHLKNQB-HNNXBMFYSA-N 1 3 279.403 3.136 20 0 CGADHO CC[C@H](NCCCC[N@@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453419379 394241125 /nfs/dbraw/zinc/24/11/25/394241125.db2.gz ZAAIHSAFHLKNQB-HNNXBMFYSA-N 1 3 279.403 3.136 20 0 CGADHO C[N@H+](CCCCNCc1cccc(Cl)c1F)C1CC1 ZINC000453590823 394252270 /nfs/dbraw/zinc/25/22/70/394252270.db2.gz BQXDFTHSKWPSOE-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[N@@H+](CCCCNCc1cccc(Cl)c1F)C1CC1 ZINC000453590823 394252271 /nfs/dbraw/zinc/25/22/71/394252271.db2.gz BQXDFTHSKWPSOE-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000550930853 289091730 /nfs/dbraw/zinc/09/17/30/289091730.db2.gz KPVZWBNZASPCQJ-SJORKVTESA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)C(C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)C(C)C ZINC000671306615 543168787 /nfs/dbraw/zinc/16/87/87/543168787.db2.gz SAAYSHFJBYAACS-WBVHZDCISA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C(C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)C(C)C ZINC000671306615 543168790 /nfs/dbraw/zinc/16/87/90/543168790.db2.gz SAAYSHFJBYAACS-WBVHZDCISA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000671753811 543186489 /nfs/dbraw/zinc/18/64/89/543186489.db2.gz UKDRBNMENOZUEU-ZACQAIPSSA-N 1 3 266.473 3.379 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2c(O)cccc12 ZINC000672327623 543209110 /nfs/dbraw/zinc/20/91/10/543209110.db2.gz DQMXBNQPVTXVDN-KGLIPLIRSA-N 1 3 297.402 3.003 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000062078680 397638078 /nfs/dbraw/zinc/63/80/78/397638078.db2.gz QGDSYJSQXGVLCK-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000062078680 397638081 /nfs/dbraw/zinc/63/80/81/397638081.db2.gz QGDSYJSQXGVLCK-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCCCC1(F)F ZINC000394657970 397695680 /nfs/dbraw/zinc/69/56/80/397695680.db2.gz MYZAOCVNQQSBLL-OLZOCXBDSA-N 1 3 262.388 3.117 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(C)c(OC)c1 ZINC000650720058 397902277 /nfs/dbraw/zinc/90/22/77/397902277.db2.gz DATYMHSZZAKCHF-UHFFFAOYSA-N 1 3 284.403 3.013 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740926 397904402 /nfs/dbraw/zinc/90/44/02/397904402.db2.gz UQVAZLOFZUPHKO-PBHICJAKSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740926 397904403 /nfs/dbraw/zinc/90/44/03/397904403.db2.gz UQVAZLOFZUPHKO-PBHICJAKSA-N 1 3 290.426 3.225 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650742322 397904847 /nfs/dbraw/zinc/90/48/47/397904847.db2.gz VWDDYHGKUAMNNW-ZVDSWSACSA-N 1 3 264.457 3.321 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccs1 ZINC000650759578 397911034 /nfs/dbraw/zinc/91/10/34/397911034.db2.gz MISMFZKVGRBOCS-GFCCVEGCSA-N 1 3 260.406 3.318 20 0 CGADHO C[C@H](NCCC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000650763789 397912968 /nfs/dbraw/zinc/91/29/68/397912968.db2.gz JMCSUGZQRFUEKY-NSHDSACASA-N 1 3 268.351 3.005 20 0 CGADHO C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000675925811 543374001 /nfs/dbraw/zinc/37/40/01/543374001.db2.gz FASDTZKBCIYWSW-CVEARBPZSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](C[C@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000675925813 543374225 /nfs/dbraw/zinc/37/42/25/543374225.db2.gz FASDTZKBCIYWSW-HZPDHXFCSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677238058 543440833 /nfs/dbraw/zinc/44/08/33/543440833.db2.gz VSSIZTMYRVSHOQ-MSOLQXFVSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677238058 543440834 /nfs/dbraw/zinc/44/08/34/543440834.db2.gz VSSIZTMYRVSHOQ-MSOLQXFVSA-N 1 3 272.436 3.062 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH+]2CCN(c3ccncc3)CC2)C1 ZINC000678461919 543528374 /nfs/dbraw/zinc/52/83/74/543528374.db2.gz AKTUWZSBQACFRG-CVEARBPZSA-N 1 3 273.424 3.030 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@@H]3CCCC[C@@H]3CN)c[nH]c2c1 ZINC000422839888 292302883 /nfs/dbraw/zinc/30/28/83/292302883.db2.gz ANPADVRBVMARKW-RHSMWYFYSA-N 1 3 285.435 3.126 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000556583737 289398234 /nfs/dbraw/zinc/39/82/34/289398234.db2.gz KWKFBROJHFESPD-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCC1=CC[N@H+](C)CC1)CCCO2 ZINC000336345837 292367590 /nfs/dbraw/zinc/36/75/90/292367590.db2.gz AWVMIZQINKRDKC-QGZVFWFLSA-N 1 3 286.419 3.060 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCC1=CC[N@@H+](C)CC1)CCCO2 ZINC000336345837 292367591 /nfs/dbraw/zinc/36/75/91/292367591.db2.gz AWVMIZQINKRDKC-QGZVFWFLSA-N 1 3 286.419 3.060 20 0 CGADHO CSC1(CN[C@H](C)c2cc(C)c(C)o2)CC[NH+](C)CC1 ZINC000353618414 286658450 /nfs/dbraw/zinc/65/84/50/286658450.db2.gz GEUZUTLEUHWVAH-CYBMUJFWSA-N 1 3 296.480 3.374 20 0 CGADHO C[C@@H]([NH2+]CCCNC1CC1)C1CCC(C(F)(F)F)CC1 ZINC000423548072 287026170 /nfs/dbraw/zinc/02/61/70/287026170.db2.gz GPFQJPAMXMMUIS-PNESKVBLSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000502022761 287037613 /nfs/dbraw/zinc/03/76/13/287037613.db2.gz ZZSYVEPYXPJBON-QXSJWSMHSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCSCC1 ZINC000186966720 287041068 /nfs/dbraw/zinc/04/10/68/287041068.db2.gz SGFJJFMAGQYEKX-CQSZACIVSA-N 1 3 292.492 3.370 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000081516662 287073654 /nfs/dbraw/zinc/07/36/54/287073654.db2.gz BYSOEWBMDUMSSZ-KRWDZBQOSA-N 1 3 274.452 3.467 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000081516662 287073655 /nfs/dbraw/zinc/07/36/55/287073655.db2.gz BYSOEWBMDUMSSZ-KRWDZBQOSA-N 1 3 274.452 3.467 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000081516662 287073658 /nfs/dbraw/zinc/07/36/58/287073658.db2.gz BYSOEWBMDUMSSZ-KRWDZBQOSA-N 1 3 274.452 3.467 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000081516662 287073662 /nfs/dbraw/zinc/07/36/62/287073662.db2.gz BYSOEWBMDUMSSZ-KRWDZBQOSA-N 1 3 274.452 3.467 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1cccs1 ZINC000075860647 165105170 /nfs/dbraw/zinc/10/51/70/165105170.db2.gz QNAPRAWNENXBBX-CQSZACIVSA-N 1 3 266.454 3.097 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1cccs1 ZINC000075860647 165105176 /nfs/dbraw/zinc/10/51/76/165105176.db2.gz QNAPRAWNENXBBX-CQSZACIVSA-N 1 3 266.454 3.097 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670213 165182402 /nfs/dbraw/zinc/18/24/02/165182402.db2.gz LKAMFEHDMJCDOT-TWMKSMIVSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000086402987 165183364 /nfs/dbraw/zinc/18/33/64/165183364.db2.gz KJQJHHVEJUOFJT-GUBZILKMSA-N 1 3 258.818 3.322 20 0 CGADHO COCc1ccc(C[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000088568026 165194285 /nfs/dbraw/zinc/19/42/85/165194285.db2.gz QHYDHGGSGAQZCW-INIZCTEOSA-N 1 3 290.451 3.045 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089140557 165201133 /nfs/dbraw/zinc/20/11/33/165201133.db2.gz JNGYUXWXBRCSPX-IAGOWNOFSA-N 1 3 285.435 3.139 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000090340186 165232167 /nfs/dbraw/zinc/23/21/67/165232167.db2.gz UPHAWYWFKYQQRF-HOCLYGCPSA-N 1 3 276.424 3.220 20 0 CGADHO c1cc2c(cccc2CN2CC[C@@H](C[NH+]3CCCCC3)C2)[nH]1 ZINC000093683867 165334669 /nfs/dbraw/zinc/33/46/69/165334669.db2.gz XRVCFBCSDHNBEX-INIZCTEOSA-N 1 3 297.446 3.476 20 0 CGADHO c1cc2c(cccc2C[N@H+]2CC[C@@H](CN3CCCCC3)C2)[nH]1 ZINC000093683867 165334672 /nfs/dbraw/zinc/33/46/72/165334672.db2.gz XRVCFBCSDHNBEX-INIZCTEOSA-N 1 3 297.446 3.476 20 0 CGADHO c1cc2c(cccc2C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)[nH]1 ZINC000093683867 165334675 /nfs/dbraw/zinc/33/46/75/165334675.db2.gz XRVCFBCSDHNBEX-INIZCTEOSA-N 1 3 297.446 3.476 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422403 165350130 /nfs/dbraw/zinc/35/01/30/165350130.db2.gz KAHDOHGXOFXVEV-HUUCEWRRSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC(C)(C)OC1(C)C ZINC000094422403 165350132 /nfs/dbraw/zinc/35/01/32/165350132.db2.gz KAHDOHGXOFXVEV-HUUCEWRRSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC(C)(C)OC1(C)C ZINC000094422403 165350134 /nfs/dbraw/zinc/35/01/34/165350134.db2.gz KAHDOHGXOFXVEV-HUUCEWRRSA-N 1 3 282.472 3.187 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516307 287147855 /nfs/dbraw/zinc/14/78/55/287147855.db2.gz GLPFMCSVZFNUFJ-CYBMUJFWSA-N 1 3 298.883 3.316 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516307 287147857 /nfs/dbraw/zinc/14/78/57/287147857.db2.gz GLPFMCSVZFNUFJ-CYBMUJFWSA-N 1 3 298.883 3.316 20 0 CGADHO CCCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119677962 287172343 /nfs/dbraw/zinc/17/23/43/287172343.db2.gz MSMDXHSXOVDRHZ-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119677962 287172344 /nfs/dbraw/zinc/17/23/44/287172344.db2.gz MSMDXHSXOVDRHZ-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119677962 287172347 /nfs/dbraw/zinc/17/23/47/287172347.db2.gz MSMDXHSXOVDRHZ-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H]([NH2+]CCCN(C)C1CCCCC1)[C@@H]1CCOC1 ZINC000120777498 287187225 /nfs/dbraw/zinc/18/72/25/287187225.db2.gz JEXHBMQQHLFJPT-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CC1 ZINC000122395983 287209305 /nfs/dbraw/zinc/20/93/05/287209305.db2.gz QRYYYQAUJOPRHQ-SFHVURJKSA-N 1 3 290.451 3.151 20 0 CGADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000562960393 289747313 /nfs/dbraw/zinc/74/73/13/289747313.db2.gz QGWAHKQAVFWXSA-ARFHVFGLSA-N 1 3 264.457 3.323 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525658 287281098 /nfs/dbraw/zinc/28/10/98/287281098.db2.gz HYIYGWLXMWDZPI-DLBZAZTESA-N 1 3 282.472 3.033 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525658 287281094 /nfs/dbraw/zinc/28/10/94/287281094.db2.gz HYIYGWLXMWDZPI-DLBZAZTESA-N 1 3 282.472 3.033 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000019912926 287297877 /nfs/dbraw/zinc/29/78/77/287297877.db2.gz GQJVWERTCQMYNO-PMPSAXMXSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](c1ccccc1Br)N1CCC(C[NH3+])CC1 ZINC000044511670 175187765 /nfs/dbraw/zinc/18/77/65/175187765.db2.gz SROLWYHFSMMZON-LLVKDONJSA-N 1 3 297.240 3.181 20 0 CGADHO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2n1 ZINC000044537997 175199610 /nfs/dbraw/zinc/19/96/10/175199610.db2.gz KXWLHKGLPKFNSS-AWEZNQCLSA-N 1 3 269.392 3.297 20 0 CGADHO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2ccccc2n1 ZINC000044537997 175199612 /nfs/dbraw/zinc/19/96/12/175199612.db2.gz KXWLHKGLPKFNSS-AWEZNQCLSA-N 1 3 269.392 3.297 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420365525 287302858 /nfs/dbraw/zinc/30/28/58/287302858.db2.gz LFLFTYSZZNGQMV-OIISXLGYSA-N 1 3 282.472 3.079 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000475125612 287306833 /nfs/dbraw/zinc/30/68/33/287306833.db2.gz UMXKYOFVMWGRPW-CVEARBPZSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000475125612 287306836 /nfs/dbraw/zinc/30/68/36/287306836.db2.gz UMXKYOFVMWGRPW-CVEARBPZSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000402814320 416547236 /nfs/dbraw/zinc/54/72/36/416547236.db2.gz MAVHMVQBUMJTGS-PVAVHDDUSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000402814320 416547241 /nfs/dbraw/zinc/54/72/41/416547241.db2.gz MAVHMVQBUMJTGS-PVAVHDDUSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1ccsc1C[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404422800 416553971 /nfs/dbraw/zinc/55/39/71/416553971.db2.gz JPGMTKLBZKQTQM-AAEUAGOBSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1C[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404422800 416553975 /nfs/dbraw/zinc/55/39/75/416553975.db2.gz JPGMTKLBZKQTQM-AAEUAGOBSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404422800 416553978 /nfs/dbraw/zinc/55/39/78/416553978.db2.gz JPGMTKLBZKQTQM-AAEUAGOBSA-N 1 3 252.427 3.006 20 0 CGADHO C[C@H]1CCCN(Cc2cnc3ccccc3c2)[C@@H]1CC[NH3+] ZINC000404405205 416554797 /nfs/dbraw/zinc/55/47/97/416554797.db2.gz UIUWVKIRALLXAF-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@]1(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000679043455 543585926 /nfs/dbraw/zinc/58/59/26/543585926.db2.gz IJOZBKJDTXZRNZ-LNLFQRSKSA-N 1 3 284.447 3.455 20 0 CGADHO C[C@]1(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000679043455 543585929 /nfs/dbraw/zinc/58/59/29/543585929.db2.gz IJOZBKJDTXZRNZ-LNLFQRSKSA-N 1 3 284.447 3.455 20 0 CGADHO C[C@@H](NC1(c2ccccc2F)CC1)C1CC[NH+](C)CC1 ZINC000679050219 543587000 /nfs/dbraw/zinc/58/70/00/543587000.db2.gz GNUIMUGSMLUYOW-CYBMUJFWSA-N 1 3 276.399 3.135 20 0 CGADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679722218 543658571 /nfs/dbraw/zinc/65/85/71/543658571.db2.gz ZNEGMWSZZOKIJE-KZNAEPCWSA-N 1 3 272.436 3.285 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071775 543820467 /nfs/dbraw/zinc/82/04/67/543820467.db2.gz IZQSCRBYZWVIGI-KDOFPFPSSA-N 1 3 285.435 3.330 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071775 543820470 /nfs/dbraw/zinc/82/04/70/543820470.db2.gz IZQSCRBYZWVIGI-KDOFPFPSSA-N 1 3 285.435 3.330 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOC1CCCCCC1 ZINC000131571921 287383831 /nfs/dbraw/zinc/38/38/31/287383831.db2.gz GAOKENWZEMTKHB-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOC1CCCCCC1 ZINC000131571921 287383834 /nfs/dbraw/zinc/38/38/34/287383834.db2.gz GAOKENWZEMTKHB-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc(CCCN(C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000684360515 543984984 /nfs/dbraw/zinc/98/49/84/543984984.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 1 3 289.467 3.129 20 0 CGADHO Cc1ccc(CCCN(C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000684360515 543984988 /nfs/dbraw/zinc/98/49/88/543984988.db2.gz FRPOVZSPZUKDOG-SFHVURJKSA-N 1 3 289.467 3.129 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@H](OC)C1 ZINC000684369115 543987362 /nfs/dbraw/zinc/98/73/62/543987362.db2.gz RSXQEPFHFMLUQO-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684369115 543987364 /nfs/dbraw/zinc/98/73/64/543987364.db2.gz RSXQEPFHFMLUQO-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000684374493 543988641 /nfs/dbraw/zinc/98/86/41/543988641.db2.gz QSSAVXCOZGNIAC-QZTJIDSGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1C[C@H](C)N1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411717 543996129 /nfs/dbraw/zinc/99/61/29/543996129.db2.gz MUONESCWXZKYFX-HOTGVXAUSA-N 1 3 288.435 3.144 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000685455667 544073567 /nfs/dbraw/zinc/07/35/67/544073567.db2.gz GFOAADMKRRGNFD-CABCVRRESA-N 1 3 280.481 3.389 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000650741374 418936385 /nfs/dbraw/zinc/93/63/85/418936385.db2.gz CHLRRTFDUWFNIP-BSWAZPDLSA-N 1 3 274.452 3.359 20 0 CGADHO Cc1ncc([C@H](C)NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000658354334 418948279 /nfs/dbraw/zinc/94/82/79/418948279.db2.gz CGJRPJCQUVFFBS-LBPRGKRZSA-N 1 3 293.480 3.224 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000659944612 419041934 /nfs/dbraw/zinc/04/19/34/419041934.db2.gz MXHPTHXPFYWTMQ-BDXSIMOUSA-N 1 3 276.468 3.373 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000659944612 419041936 /nfs/dbraw/zinc/04/19/36/419041936.db2.gz MXHPTHXPFYWTMQ-BDXSIMOUSA-N 1 3 276.468 3.373 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000659944619 419042737 /nfs/dbraw/zinc/04/27/37/419042737.db2.gz MXHPTHXPFYWTMQ-XDNAFOTISA-N 1 3 276.468 3.373 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000659944619 419042742 /nfs/dbraw/zinc/04/27/42/419042742.db2.gz MXHPTHXPFYWTMQ-XDNAFOTISA-N 1 3 276.468 3.373 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000665246968 419089869 /nfs/dbraw/zinc/08/98/69/419089869.db2.gz SCMDPKFHNCQWKF-OTWHNJEPSA-N 1 3 286.463 3.356 20 0 CGADHO CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257168 419094759 /nfs/dbraw/zinc/09/47/59/419094759.db2.gz BHNAHALBJVMDDB-APHBMKBZSA-N 1 3 264.388 3.049 20 0 CGADHO Clc1cccc([C@H]2CC[C@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279419 419100690 /nfs/dbraw/zinc/10/06/90/419100690.db2.gz BXWOUNJCIQMKAK-QBHHXUBYSA-N 1 3 290.838 3.318 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(F)cc1 ZINC000665279595 419100714 /nfs/dbraw/zinc/10/07/14/419100714.db2.gz GRMJSMZWTPXZTB-HUUCEWRRSA-N 1 3 252.377 3.240 20 0 CGADHO C([NH2+]C1CCC2(CCCCC2)CC1)C12CC(C1)CN2 ZINC000665279748 419102110 /nfs/dbraw/zinc/10/21/10/419102110.db2.gz LEYBBSWMYIYGAW-UHFFFAOYSA-N 1 3 262.441 3.221 20 0 CGADHO C(NC1CCC2(CCCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000665279748 419102112 /nfs/dbraw/zinc/10/21/12/419102112.db2.gz LEYBBSWMYIYGAW-UHFFFAOYSA-N 1 3 262.441 3.221 20 0 CGADHO COc1cccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1C ZINC000665295024 419108817 /nfs/dbraw/zinc/10/88/17/419108817.db2.gz ZSRADDGVOLBBBF-CYBMUJFWSA-N 1 3 299.418 3.017 20 0 CGADHO CNC[C@@H](C)[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000665296250 419109054 /nfs/dbraw/zinc/10/90/54/419109054.db2.gz PJBOMXHVTKAKSW-BXUZGUMPSA-N 1 3 252.427 3.177 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665299472 419110051 /nfs/dbraw/zinc/11/00/51/419110051.db2.gz NUDGPVYQGLASBO-GRDNDAEWSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(c2ccccc2)CC1(C)C ZINC000665299472 419110055 /nfs/dbraw/zinc/11/00/55/419110055.db2.gz NUDGPVYQGLASBO-GRDNDAEWSA-N 1 3 260.425 3.070 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCC(C)(C)C2CC2)CC1 ZINC000653642764 419065124 /nfs/dbraw/zinc/06/51/24/419065124.db2.gz VHSOECSDDHQUQM-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCC(C)(C)C2CC2)CC1 ZINC000653642764 419065126 /nfs/dbraw/zinc/06/51/26/419065126.db2.gz VHSOECSDDHQUQM-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](NCCCc1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000656201126 419150093 /nfs/dbraw/zinc/15/00/93/419150093.db2.gz SQOVGENZSFIQMK-JTQLQIEISA-N 1 3 287.234 3.124 20 0 CGADHO C[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)C1CNC1 ZINC000656201126 419150095 /nfs/dbraw/zinc/15/00/95/419150095.db2.gz SQOVGENZSFIQMK-JTQLQIEISA-N 1 3 287.234 3.124 20 0 CGADHO Cc1ccccc1C1(N[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000656200222 419150110 /nfs/dbraw/zinc/15/01/10/419150110.db2.gz IIXAFJFSDOXJBD-CABCVRRESA-N 1 3 258.409 3.234 20 0 CGADHO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660654490 419177571 /nfs/dbraw/zinc/17/75/71/419177571.db2.gz GMDGDEUZOHETNY-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660654490 419177574 /nfs/dbraw/zinc/17/75/74/419177574.db2.gz GMDGDEUZOHETNY-YOEHRIQHSA-N 1 3 276.399 3.304 20 0 CGADHO c1ccc(CNC2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000660679310 419182019 /nfs/dbraw/zinc/18/20/19/419182019.db2.gz MZPNBNNQYSGDMO-GOSISDBHSA-N 1 3 270.420 3.349 20 0 CGADHO c1ccc(CNC2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC000660679311 419182416 /nfs/dbraw/zinc/18/24/16/419182416.db2.gz MZPNBNNQYSGDMO-SFHVURJKSA-N 1 3 270.420 3.349 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657337539 419254408 /nfs/dbraw/zinc/25/44/08/419254408.db2.gz YLWAKRXTRPQONB-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO Fc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656784360 419217747 /nfs/dbraw/zinc/21/77/47/419217747.db2.gz CRSJMAVIUHZTAU-INIZCTEOSA-N 1 3 276.399 3.037 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785213 419218316 /nfs/dbraw/zinc/21/83/16/419218316.db2.gz KPUDXYDRXLDHPU-MRXNPFEDSA-N 1 3 290.426 3.346 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000657590233 419311651 /nfs/dbraw/zinc/31/16/51/419311651.db2.gz YHGDYALTTMLQLS-DRRXZNNHSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613100 419313886 /nfs/dbraw/zinc/31/38/86/419313886.db2.gz VZLLUGZOBXNFRW-YJBOKZPZSA-N 1 3 287.451 3.072 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCSc2cccc(Cl)c2)C1 ZINC000662266779 419374938 /nfs/dbraw/zinc/37/49/38/419374938.db2.gz OXDVKAHEEIJZJF-VXGBXAGGSA-N 1 3 284.856 3.101 20 0 CGADHO CN(CC[C@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263767 419377444 /nfs/dbraw/zinc/37/74/44/419377444.db2.gz FBUFCZHHOHJQSX-HRBLRVMOSA-N 1 3 284.447 3.321 20 0 CGADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C[C@@H]1CN ZINC000662280133 419381548 /nfs/dbraw/zinc/38/15/48/419381548.db2.gz CTZOBAXAHPIZMF-PVAVHDDUSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@@H]1CN ZINC000662280133 419381553 /nfs/dbraw/zinc/38/15/53/419381553.db2.gz CTZOBAXAHPIZMF-PVAVHDDUSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000662280133 419381556 /nfs/dbraw/zinc/38/15/56/419381556.db2.gz CTZOBAXAHPIZMF-PVAVHDDUSA-N 1 3 272.436 3.023 20 0 CGADHO c1cc(CN2CCC[C@H]2c2ccncc2)c2c(c1)C[NH2+]CC2 ZINC000662277193 419382304 /nfs/dbraw/zinc/38/23/04/419382304.db2.gz PMIAGIHHCASPFH-IBGZPJMESA-N 1 3 293.414 3.064 20 0 CGADHO [NH3+]CC12CC(C1)CN2CC1CCC(c2ccccc2)CC1 ZINC000662306726 419387167 /nfs/dbraw/zinc/38/71/67/419387167.db2.gz SNWRDZFMDXZUFR-UHFFFAOYSA-N 1 3 284.447 3.384 20 0 CGADHO CC(C)[NH+](CCCNC1CC(CF)(CF)C1)C(C)C ZINC000657900743 419422437 /nfs/dbraw/zinc/42/24/37/419422437.db2.gz SCIQWWBWBJEPTB-UHFFFAOYSA-N 1 3 276.415 3.173 20 0 CGADHO c1cc2c(cccc2C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)[nH]1 ZINC000663345310 419568093 /nfs/dbraw/zinc/56/80/93/419568093.db2.gz IEEIXEOMJKAWKM-INIZCTEOSA-N 1 3 297.446 3.380 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034222 419510350 /nfs/dbraw/zinc/51/03/50/419510350.db2.gz DZNUIOLKSHVUPH-OLZOCXBDSA-N 1 3 297.393 3.402 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034222 419510352 /nfs/dbraw/zinc/51/03/52/419510352.db2.gz DZNUIOLKSHVUPH-OLZOCXBDSA-N 1 3 297.393 3.402 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)(C)C ZINC000658165339 419632459 /nfs/dbraw/zinc/63/24/59/419632459.db2.gz IOIPEWKUXHIYPF-OAHLLOKOSA-N 1 3 289.467 3.318 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663497860 419637598 /nfs/dbraw/zinc/63/75/98/419637598.db2.gz KXOYKDPDSMORNU-ADKAHSJRSA-N 1 3 272.436 3.130 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497974 419637814 /nfs/dbraw/zinc/63/78/14/419637814.db2.gz LXYNWWPMUISFTP-PWDHUQTKSA-N 1 3 290.838 3.318 20 0 CGADHO CC(C)[C@H](CNc1nccc2[nH]ccc21)[NH+]1CCCC1 ZINC000663379269 419584594 /nfs/dbraw/zinc/58/45/94/419584594.db2.gz LVUCITZGBDLIFL-HNNXBMFYSA-N 1 3 272.396 3.095 20 0 CGADHO C[C@@H](CNc1nccc2[nH]ccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000663389959 419585623 /nfs/dbraw/zinc/58/56/23/419585623.db2.gz ZZKYWDPIWPAMBW-STQMWFEESA-N 1 3 272.396 3.095 20 0 CGADHO C[C@@H](CNc1nccc2[nH]ccc21)[N@H+]1CCC[C@H](C)C1 ZINC000663389959 419585633 /nfs/dbraw/zinc/58/56/33/419585633.db2.gz ZZKYWDPIWPAMBW-STQMWFEESA-N 1 3 272.396 3.095 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCCC1 ZINC000663466009 419616291 /nfs/dbraw/zinc/61/62/91/419616291.db2.gz MZHGCGHRPNMXDU-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CCCC1 ZINC000663466009 419616298 /nfs/dbraw/zinc/61/62/98/419616298.db2.gz MZHGCGHRPNMXDU-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466009 419616304 /nfs/dbraw/zinc/61/63/04/419616304.db2.gz MZHGCGHRPNMXDU-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663468496 419622260 /nfs/dbraw/zinc/62/22/60/419622260.db2.gz LMHFVTFYVVRVGK-DOTOQJQBSA-N 1 3 264.457 3.133 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469573 419625137 /nfs/dbraw/zinc/62/51/37/419625137.db2.gz QOICZZYTVUWZRB-OFQRWUPVSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658163871 419626897 /nfs/dbraw/zinc/62/68/97/419626897.db2.gz BUIKOLBSYFZODY-SFHVURJKSA-N 1 3 287.451 3.072 20 0 CGADHO c1cc(CN2CC=CCC2)cc(C[NH+]2CCCCC2)c1 ZINC000663693930 419683209 /nfs/dbraw/zinc/68/32/09/419683209.db2.gz XYVUIQQUJPGURX-UHFFFAOYSA-N 1 3 270.420 3.434 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000394527036 261383149 /nfs/dbraw/zinc/38/31/49/261383149.db2.gz GCORARDQFLQHBF-ZBFHGGJFSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527036 261383151 /nfs/dbraw/zinc/38/31/51/261383151.db2.gz GCORARDQFLQHBF-ZBFHGGJFSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394527036 261383154 /nfs/dbraw/zinc/38/31/54/261383154.db2.gz GCORARDQFLQHBF-ZBFHGGJFSA-N 1 3 252.446 3.406 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535103 270036260 /nfs/dbraw/zinc/03/62/60/270036260.db2.gz BBADGCCTJQPTSQ-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535103 270036262 /nfs/dbraw/zinc/03/62/62/270036262.db2.gz BBADGCCTJQPTSQ-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182822957 270054489 /nfs/dbraw/zinc/05/44/89/270054489.db2.gz KOSAWCWIBNYYOE-KRWDZBQOSA-N 1 3 292.442 3.422 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182822957 270054491 /nfs/dbraw/zinc/05/44/91/270054491.db2.gz KOSAWCWIBNYYOE-KRWDZBQOSA-N 1 3 292.442 3.422 20 0 CGADHO CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183194570 270055317 /nfs/dbraw/zinc/05/53/17/270055317.db2.gz BGLAKMKTKNXVLR-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000185323534 270062201 /nfs/dbraw/zinc/06/22/01/270062201.db2.gz WCMZCEWNYGNEMQ-INIZCTEOSA-N 1 3 293.414 3.302 20 0 CGADHO CCSc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000185464451 270062874 /nfs/dbraw/zinc/06/28/74/270062874.db2.gz XJLANRHGWGCACO-HNNXBMFYSA-N 1 3 290.476 3.373 20 0 CGADHO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000227497273 270087047 /nfs/dbraw/zinc/08/70/47/270087047.db2.gz BSSYTQZEIWEAQH-KBPBESRZSA-N 1 3 269.392 3.438 20 0 CGADHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000227497273 270087048 /nfs/dbraw/zinc/08/70/48/270087048.db2.gz BSSYTQZEIWEAQH-KBPBESRZSA-N 1 3 269.392 3.438 20 0 CGADHO Cc1occc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000321279299 270093338 /nfs/dbraw/zinc/09/33/38/270093338.db2.gz SOVCDTSNECGFCT-KRWDZBQOSA-N 1 3 284.403 3.200 20 0 CGADHO CC(C)CCC[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000526113140 270123125 /nfs/dbraw/zinc/12/31/25/270123125.db2.gz MBARTTRPNHEXIZ-MRXNPFEDSA-N 1 3 254.462 3.380 20 0 CGADHO C(C[C@H]1CCCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527739126 270133496 /nfs/dbraw/zinc/13/34/96/270133496.db2.gz NTMBYDYNFDLBGH-MRXNPFEDSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1CC12CC2 ZINC000527844088 270139326 /nfs/dbraw/zinc/13/93/26/270139326.db2.gz FLZPRKWWGLQFPC-DGCLKSJQSA-N 1 3 250.430 3.074 20 0 CGADHO c1ccc([C@H]([NH2+]C2CCN(CC3CC3)CC2)C2CCC2)nc1 ZINC000527968689 270147253 /nfs/dbraw/zinc/14/72/53/270147253.db2.gz OSNNGJKLUNCXKA-LJQANCHMSA-N 1 3 299.462 3.387 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530220541 270196505 /nfs/dbraw/zinc/19/65/05/270196505.db2.gz OKFNXZAVYWKJMK-RRFJBIMHSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530220541 270196506 /nfs/dbraw/zinc/19/65/06/270196506.db2.gz OKFNXZAVYWKJMK-RRFJBIMHSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1CCCN(Cc2ncccc2Cl)[C@@H]1CCC[NH3+] ZINC000530223062 270196727 /nfs/dbraw/zinc/19/67/27/270196727.db2.gz LXIXRLPJQJCZGC-IUODEOHRSA-N 1 3 281.831 3.074 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000531932555 270211147 /nfs/dbraw/zinc/21/11/47/270211147.db2.gz REILDGIYZNZLHM-IJEWVQPXSA-N 1 3 252.446 3.418 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000531955136 270211181 /nfs/dbraw/zinc/21/11/81/270211181.db2.gz OKYMZHBJABCXOR-FUHWJXTLSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531955136 270211182 /nfs/dbraw/zinc/21/11/82/270211182.db2.gz OKYMZHBJABCXOR-FUHWJXTLSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](CC2CC2)c2ccccc2)C1 ZINC000531955136 270211183 /nfs/dbraw/zinc/21/11/83/270211183.db2.gz OKYMZHBJABCXOR-FUHWJXTLSA-N 1 3 272.436 3.459 20 0 CGADHO CC[C@H]([NH2+]CCCN(C)C1CCCCC1)C1CCOCC1 ZINC000531989168 270212402 /nfs/dbraw/zinc/21/24/02/270212402.db2.gz IOXHUUZBGJAWIP-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423449497 274240232 /nfs/dbraw/zinc/24/02/32/274240232.db2.gz RRQBZENIXHYSBA-DNJQJEMRSA-N 1 3 297.240 3.323 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]C[C@H](C)CN(C)C)C2CC2)cc1 ZINC000425938230 274744219 /nfs/dbraw/zinc/74/42/19/274744219.db2.gz VXZUJTXTZMZXDN-YJBOKZPZSA-N 1 3 274.452 3.103 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC000415041501 274949986 /nfs/dbraw/zinc/94/99/86/274949986.db2.gz PYNIACRPHQFSJX-NXEZZACHSA-N 1 3 273.207 3.210 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000119345660 275859611 /nfs/dbraw/zinc/85/96/11/275859611.db2.gz HVUARORRTFVPLC-INIZCTEOSA-N 1 3 294.483 3.331 20 0 CGADHO CC(C)[C@H](CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422561717 276016591 /nfs/dbraw/zinc/01/65/91/276016591.db2.gz MXVMZDAVEQTFGR-KRWDZBQOSA-N 1 3 272.436 3.254 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000191078767 276073293 /nfs/dbraw/zinc/07/32/93/276073293.db2.gz TYEUSVXVDMQPCM-IKGGRYGDSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000191078767 276073295 /nfs/dbraw/zinc/07/32/95/276073295.db2.gz TYEUSVXVDMQPCM-IKGGRYGDSA-N 1 3 264.457 3.252 20 0 CGADHO C1CC2(C1)CC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000334460614 276850568 /nfs/dbraw/zinc/85/05/68/276850568.db2.gz NNRGFIJJWCLKTI-INIZCTEOSA-N 1 3 262.441 3.316 20 0 CGADHO CNC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659875 277275621 /nfs/dbraw/zinc/27/56/21/277275621.db2.gz UHXJJNDINMYIPJ-QXAKKESOSA-N 1 3 286.463 3.428 20 0 CGADHO CNC[C@@H]1CCC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659875 277275622 /nfs/dbraw/zinc/27/56/22/277275622.db2.gz UHXJJNDINMYIPJ-QXAKKESOSA-N 1 3 286.463 3.428 20 0 CGADHO C[NH2+]C[C@@H]1CCCN([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414659875 277275623 /nfs/dbraw/zinc/27/56/23/277275623.db2.gz UHXJJNDINMYIPJ-QXAKKESOSA-N 1 3 286.463 3.428 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060054 277394835 /nfs/dbraw/zinc/39/48/35/277394835.db2.gz VDKBNKUYWCKHLI-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H](C[NH2+]C1CCC2(CC2)CC1)CN1CCCCC1 ZINC000362929297 277586918 /nfs/dbraw/zinc/58/69/18/277586918.db2.gz CAFRYJWEURGFFH-HNNXBMFYSA-N 1 3 264.457 3.421 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422718222 277789209 /nfs/dbraw/zinc/78/92/09/277789209.db2.gz PLLPLOXHQHHSOR-UGUYLWEFSA-N 1 3 252.446 3.308 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000423401174 277933101 /nfs/dbraw/zinc/93/31/01/277933101.db2.gz VVEXPMWFHMUFLX-CLWVCHIJSA-N 1 3 276.424 3.047 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](CNC)C2)C1 ZINC000394613764 288002366 /nfs/dbraw/zinc/00/23/66/288002366.db2.gz JXLZDLFGQOJKPY-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](CNC)C2)C1 ZINC000394613764 288002369 /nfs/dbraw/zinc/00/23/69/288002369.db2.gz JXLZDLFGQOJKPY-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@@H](CN2CCC[C@H](C[NH2+]C)C2)C1 ZINC000394613764 288002371 /nfs/dbraw/zinc/00/23/71/288002371.db2.gz JXLZDLFGQOJKPY-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)c1ncc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414782740 278079610 /nfs/dbraw/zinc/07/96/10/278079610.db2.gz OTXGEEJYGYEILN-KBPBESRZSA-N 1 3 293.480 3.088 20 0 CGADHO CC(CN1CCC(C)CC1)C[NH+]1CCC(C)CC1 ZINC000114205351 278156300 /nfs/dbraw/zinc/15/63/00/278156300.db2.gz FFFBXLOGBKZKHV-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO Cc1ccc2cc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)ccc2n1 ZINC000397302740 288022632 /nfs/dbraw/zinc/02/26/32/288022632.db2.gz GRLHRRLHROYMSG-JOQOYGCGSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C/c2ccccc2)C[C@@H]1C[NH3+] ZINC000397399771 288023325 /nfs/dbraw/zinc/02/33/25/288023325.db2.gz QPIUGDQNVBMDPD-VKTLZFPLSA-N 1 3 258.409 3.005 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000397396394 288023438 /nfs/dbraw/zinc/02/34/38/288023438.db2.gz PHNHAJVJMRXLNL-MCIONIFRSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2c(F)cccc2F)CCC1 ZINC000423174384 278226372 /nfs/dbraw/zinc/22/63/72/278226372.db2.gz BZKNRZPQGZAQRV-RYUDHWBXSA-N 1 3 282.378 3.102 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423174384 278226376 /nfs/dbraw/zinc/22/63/76/278226376.db2.gz BZKNRZPQGZAQRV-RYUDHWBXSA-N 1 3 282.378 3.102 20 0 CGADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000158891706 278243411 /nfs/dbraw/zinc/24/34/11/278243411.db2.gz INAJIJHBFYJATO-QLFBSQMISA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCCc2n[nH]cc21 ZINC000367633558 278332272 /nfs/dbraw/zinc/33/22/72/278332272.db2.gz IJGRYJOJTSDBHR-GOEBONIOSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCN[C@@H]1CCCc2n[nH]cc21 ZINC000367633558 278332273 /nfs/dbraw/zinc/33/22/73/278332273.db2.gz IJGRYJOJTSDBHR-GOEBONIOSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000398035387 288037672 /nfs/dbraw/zinc/03/76/72/288037672.db2.gz ALPPWZGNJCMENI-CQSZACIVSA-N 1 3 273.424 3.219 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337987445 278540466 /nfs/dbraw/zinc/54/04/66/278540466.db2.gz KVDNPXFGFHRKNS-SJORKVTESA-N 1 3 264.457 3.277 20 0 CGADHO CCC([NH2+]C1CCOCC1C)c1cccc(F)c1 ZINC000278559806 288071321 /nfs/dbraw/zinc/07/13/21/288071321.db2.gz PBZIQDBQIDPAQT-BYCMXARLSA-N 1 3 251.345 3.291 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCCNCC2)CCCC1 ZINC000129313317 278746412 /nfs/dbraw/zinc/74/64/12/278746412.db2.gz MZAYCHDILSTEGC-HNNXBMFYSA-N 1 3 252.446 3.325 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382820 288086351 /nfs/dbraw/zinc/08/63/51/288086351.db2.gz WGWXTOVYBQHYQS-NEWSRXKRSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382820 288086354 /nfs/dbraw/zinc/08/63/54/288086354.db2.gz WGWXTOVYBQHYQS-NEWSRXKRSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459382820 288086356 /nfs/dbraw/zinc/08/63/56/288086356.db2.gz WGWXTOVYBQHYQS-NEWSRXKRSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000516950692 278987074 /nfs/dbraw/zinc/98/70/74/278987074.db2.gz MIEMMCYKIHXERS-QLPKVWCKSA-N 1 3 294.483 3.329 20 0 CGADHO FC1(F)CC(CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459596804 288099641 /nfs/dbraw/zinc/09/96/41/288099641.db2.gz NYTXQBYGVLYWIZ-UHFFFAOYSA-N 1 3 295.377 3.075 20 0 CGADHO Clc1ccc(CCNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000459515315 288095635 /nfs/dbraw/zinc/09/56/35/288095635.db2.gz AWSMBPVKEQIEMG-UHFFFAOYSA-N 1 3 292.854 3.489 20 0 CGADHO CCN(CC)CCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000472593154 279096757 /nfs/dbraw/zinc/09/67/57/279096757.db2.gz ZULQWWQYWAZTOG-OAGGEKHMSA-N 1 3 252.446 3.371 20 0 CGADHO CCN(CC)CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000472593154 279096759 /nfs/dbraw/zinc/09/67/59/279096759.db2.gz ZULQWWQYWAZTOG-OAGGEKHMSA-N 1 3 252.446 3.371 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNCC2(F)CC2)cc1 ZINC000527223220 288157396 /nfs/dbraw/zinc/15/73/96/288157396.db2.gz XAEIZZYIRTXUEK-UHFFFAOYSA-N 1 3 264.388 3.120 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422718223 279977942 /nfs/dbraw/zinc/97/79/42/279977942.db2.gz PLLPLOXHQHHSOR-WCVJEAGWSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H](CN)C2CC2)c2ccsc2S1 ZINC000423275920 280012604 /nfs/dbraw/zinc/01/26/04/280012604.db2.gz MIBVIYVRVDJNAV-UWJYBYFXSA-N 1 3 268.451 3.000 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000127881438 280265608 /nfs/dbraw/zinc/26/56/08/280265608.db2.gz ZENMTQXIBHWHNQ-FPCVCCKLSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccnc1 ZINC000359327849 280334830 /nfs/dbraw/zinc/33/48/30/280334830.db2.gz XTOVTXLRRXHTPV-BBWFWOEESA-N 1 3 275.440 3.241 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)CC3 ZINC000414936400 281035426 /nfs/dbraw/zinc/03/54/26/281035426.db2.gz CTAIVKPRJJQSAL-CKEIUWERSA-N 1 3 297.446 3.064 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530178404 288295519 /nfs/dbraw/zinc/29/55/19/288295519.db2.gz KZXDTKJGBNUIHB-YESZJQIVSA-N 1 3 288.410 3.336 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530179293 288296430 /nfs/dbraw/zinc/29/64/30/288296430.db2.gz SIVGIKGMVISKCN-NVXWUHKLSA-N 1 3 272.436 3.190 20 0 CGADHO Cc1cccc(C2(CN[C@H]3CCC[C@H]3[NH3+])CCCC2)c1 ZINC000422909179 281213640 /nfs/dbraw/zinc/21/36/40/281213640.db2.gz NNZDMAGZOIDORN-SJORKVTESA-N 1 3 272.436 3.276 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000488773983 281309170 /nfs/dbraw/zinc/30/91/70/281309170.db2.gz HARAMVBBDMAEOK-LJQANCHMSA-N 1 3 295.430 3.384 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000488773983 281309171 /nfs/dbraw/zinc/30/91/71/281309171.db2.gz HARAMVBBDMAEOK-LJQANCHMSA-N 1 3 295.430 3.384 20 0 CGADHO C[C@@H]([NH2+]CC1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000537918789 288552512 /nfs/dbraw/zinc/55/25/12/288552512.db2.gz LVXVJMBZPXLYSZ-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO CCc1nc2ccccc2c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000548791382 289022838 /nfs/dbraw/zinc/02/28/38/289022838.db2.gz JPCGFQORBVYGOY-ZFWWWQNUSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1nc2ccccc2c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000548791382 289022839 /nfs/dbraw/zinc/02/28/39/289022839.db2.gz JPCGFQORBVYGOY-ZFWWWQNUSA-N 1 3 297.446 3.422 20 0 CGADHO Cc1[nH+]c2ccccc2c(N2C[C@@H](C)N(C)[C@@H](C)C2)c1C ZINC000549604018 289048019 /nfs/dbraw/zinc/04/80/19/289048019.db2.gz UFVWPCHJJBAITK-BETUJISGSA-N 1 3 283.419 3.380 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000423070004 293260470 /nfs/dbraw/zinc/26/04/70/293260470.db2.gz BZEXOBDEXDBEDH-CZUORRHYSA-N 1 3 273.424 3.222 20 0 CGADHO Cn1cccc1[C@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000245586739 294393840 /nfs/dbraw/zinc/39/38/40/294393840.db2.gz FBJOMWPANXAUBR-NVXWUHKLSA-N 1 3 275.440 3.036 20 0 CGADHO Cn1cccc1[C@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000245586739 294393843 /nfs/dbraw/zinc/39/38/43/294393843.db2.gz FBJOMWPANXAUBR-NVXWUHKLSA-N 1 3 275.440 3.036 20 0 CGADHO COc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1SC ZINC000423392441 295024531 /nfs/dbraw/zinc/02/45/31/295024531.db2.gz QEIIIHBQDXHSMF-IACUBPJLSA-N 1 3 294.464 3.338 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000423401175 295239730 /nfs/dbraw/zinc/23/97/30/295239730.db2.gz VVEXPMWFHMUFLX-OCVGTWLNSA-N 1 3 276.424 3.047 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422814710 295248463 /nfs/dbraw/zinc/24/84/63/295248463.db2.gz VYJIJDXLMJMODD-RDJZCZTQSA-N 1 3 272.436 3.215 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422701730 295250889 /nfs/dbraw/zinc/25/08/89/295250889.db2.gz JDEFFDKNUXTWLR-XJKSGUPXSA-N 1 3 292.854 3.479 20 0 CGADHO NC[C@H]1C[N@H+](CCC2CCCCCC2)CC12CCOCC2 ZINC000414785552 295276124 /nfs/dbraw/zinc/27/61/24/295276124.db2.gz SUZFZUMLEJPQKA-KRWDZBQOSA-N 1 3 294.483 3.034 20 0 CGADHO NC[C@H]1C[N@@H+](CCC2CCCCCC2)CC12CCOCC2 ZINC000414785552 295276125 /nfs/dbraw/zinc/27/61/25/295276125.db2.gz SUZFZUMLEJPQKA-KRWDZBQOSA-N 1 3 294.483 3.034 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2c1cccc2Br ZINC000422960745 298964218 /nfs/dbraw/zinc/96/42/18/298964218.db2.gz XPTBYTWHZAOAKD-BHDSKKPTSA-N 1 3 297.240 3.152 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000222955146 301419072 /nfs/dbraw/zinc/41/90/72/301419072.db2.gz JYCJOEBLVCHEFM-CYZMBNFOSA-N 1 3 252.427 3.285 20 0 CGADHO Cc1ccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422812556 301722455 /nfs/dbraw/zinc/72/24/55/301722455.db2.gz QRMVRADKQFSRSX-IAGOWNOFSA-N 1 3 258.409 3.178 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1CCCc2sccc21 ZINC000423289542 528950742 /nfs/dbraw/zinc/95/07/42/528950742.db2.gz XMWWPJODLWPIBM-GFCCVEGCSA-N 1 3 252.427 3.233 20 0 CGADHO [NH3+]CC1CCC(N[C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000422701081 303371369 /nfs/dbraw/zinc/37/13/69/303371369.db2.gz BHCJWDMKZXUHEW-PPSBMQLTSA-N 1 3 295.430 3.278 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000162536942 321884799 /nfs/dbraw/zinc/88/47/99/321884799.db2.gz AKIBAIPGBSTWBR-CABCVRRESA-N 1 3 278.440 3.151 20 0 CGADHO CCC(O)(CC)C(C)(C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000563550881 322002671 /nfs/dbraw/zinc/00/26/71/322002671.db2.gz VMPMWPLRLORLMP-UHFFFAOYSA-N 1 3 298.515 3.416 20 0 CGADHO CCC(O)(CC)C(C)(C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000563550881 322002672 /nfs/dbraw/zinc/00/26/72/322002672.db2.gz VMPMWPLRLORLMP-UHFFFAOYSA-N 1 3 298.515 3.416 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000564728896 322040671 /nfs/dbraw/zinc/04/06/71/322040671.db2.gz KWJAAUAEOQECAH-MOPGFXCFSA-N 1 3 286.463 3.249 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000564728896 322040673 /nfs/dbraw/zinc/04/06/73/322040673.db2.gz KWJAAUAEOQECAH-MOPGFXCFSA-N 1 3 286.463 3.249 20 0 CGADHO CC[NH2+]CCCN[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000564791873 322043026 /nfs/dbraw/zinc/04/30/26/322043026.db2.gz SLWWVCNCMZTRIZ-DLBZAZTESA-N 1 3 260.425 3.086 20 0 CGADHO CCNCCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000564791873 322043029 /nfs/dbraw/zinc/04/30/29/322043029.db2.gz SLWWVCNCMZTRIZ-DLBZAZTESA-N 1 3 260.425 3.086 20 0 CGADHO COc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1F ZINC000564988422 322052688 /nfs/dbraw/zinc/05/26/88/322052688.db2.gz GMUXXHYSYZLGPL-LBPRGKRZSA-N 1 3 288.366 3.144 20 0 CGADHO C[C@H](CCN[C@H]1CCC1(C)C)[NH2+][C@H]1CCC1(C)C ZINC000565175264 322065234 /nfs/dbraw/zinc/06/52/34/322065234.db2.gz UBZBONVKQGELRV-RDBSUJKOSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC1(C)C)N[C@H]1CCC1(C)C ZINC000565175264 322065236 /nfs/dbraw/zinc/06/52/36/322065236.db2.gz UBZBONVKQGELRV-RDBSUJKOSA-N 1 3 252.446 3.321 20 0 CGADHO Cc1ccc(-c2nc(CCN[C@H]3CCC[C@H]([NH3+])C3)co2)cc1 ZINC000565226565 322067787 /nfs/dbraw/zinc/06/77/87/322067787.db2.gz LPNHRZANSJMHJO-HOTGVXAUSA-N 1 3 299.418 3.052 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000565633148 322084682 /nfs/dbraw/zinc/08/46/82/322084682.db2.gz YARJMTMUQNCYBR-AWEZNQCLSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@@H](Cc1ccsc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000565633148 322084684 /nfs/dbraw/zinc/08/46/84/322084684.db2.gz YARJMTMUQNCYBR-AWEZNQCLSA-N 1 3 280.481 3.391 20 0 CGADHO CCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000566048145 322101868 /nfs/dbraw/zinc/10/18/68/322101868.db2.gz UCAVHXKBROWJIO-CQSZACIVSA-N 1 3 295.430 3.115 20 0 CGADHO CCc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000566048145 322101869 /nfs/dbraw/zinc/10/18/69/322101869.db2.gz UCAVHXKBROWJIO-CQSZACIVSA-N 1 3 295.430 3.115 20 0 CGADHO CC(C)C[C@H](CN1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000566229879 322110484 /nfs/dbraw/zinc/11/04/84/322110484.db2.gz QZCLAGILAWSCIL-QRVBRYPASA-N 1 3 286.463 3.358 20 0 CGADHO CC(C)C[C@@H]([NH2+]CCOCCN(C)C)c1cccs1 ZINC000566410622 322120533 /nfs/dbraw/zinc/12/05/33/322120533.db2.gz GIZWLZXZZRKSMY-CQSZACIVSA-N 1 3 284.469 3.003 20 0 CGADHO FCCCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566753110 322137267 /nfs/dbraw/zinc/13/72/67/322137267.db2.gz NOQGGEMUWBITCW-HDICACEKSA-N 1 3 290.426 3.190 20 0 CGADHO FCCCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566753110 322137269 /nfs/dbraw/zinc/13/72/69/322137269.db2.gz NOQGGEMUWBITCW-HDICACEKSA-N 1 3 290.426 3.190 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000568248569 322200751 /nfs/dbraw/zinc/20/07/51/322200751.db2.gz VAZPZBYBFIFFST-CFVMTHIKSA-N 1 3 292.423 3.014 20 0 CGADHO Fc1ccc(/C=C\CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000569606030 322251839 /nfs/dbraw/zinc/25/18/39/322251839.db2.gz ZCJJURKEQPUWKU-NLVOMGJBSA-N 1 3 288.410 3.160 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000569712886 322255096 /nfs/dbraw/zinc/25/50/96/322255096.db2.gz HCEIJLIXRNVKID-OUGKCBKLSA-N 1 3 276.468 3.308 20 0 CGADHO CCC[C@H](NCC1CC[NH+](CC)CC1)c1ccccn1 ZINC000570705249 322280276 /nfs/dbraw/zinc/28/02/76/322280276.db2.gz CTEGRFCAIMWXQM-INIZCTEOSA-N 1 3 275.440 3.244 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000571061610 322289101 /nfs/dbraw/zinc/28/91/01/322289101.db2.gz ZVDWGIWHZXGOPP-ROUUACIJSA-N 1 3 298.430 3.468 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCCOc2ccc3ccccc3c2)C1 ZINC000571061610 322289102 /nfs/dbraw/zinc/28/91/02/322289102.db2.gz ZVDWGIWHZXGOPP-ROUUACIJSA-N 1 3 298.430 3.468 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCc2c1cccc2Cl)CN(C)C ZINC000571115434 322290200 /nfs/dbraw/zinc/29/02/00/322290200.db2.gz BAYHGEGXBFSMPA-ABAIWWIYSA-N 1 3 266.816 3.115 20 0 CGADHO Cc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000572364052 322333155 /nfs/dbraw/zinc/33/31/55/322333155.db2.gz RDWATBVEQCFYIV-MRXNPFEDSA-N 1 3 292.854 3.470 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000573324184 322381975 /nfs/dbraw/zinc/38/19/75/322381975.db2.gz JNGVXAPKXYINBL-SWLSCSKDSA-N 1 3 294.389 3.347 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000582735984 329134100 /nfs/dbraw/zinc/13/41/00/329134100.db2.gz QUQDQRQGSGWNPO-HOTGVXAUSA-N 1 3 290.451 3.222 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000582915203 329288357 /nfs/dbraw/zinc/28/83/57/329288357.db2.gz CNLFCKOEWSLRJN-KMZOKZLKSA-N 1 3 258.409 3.040 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000583806414 329479686 /nfs/dbraw/zinc/47/96/86/329479686.db2.gz DOFDFDFSTQHKHK-NWDGAFQWSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H](CCN[C@H]1C[C@@H](C)O[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000379620111 330143006 /nfs/dbraw/zinc/14/30/06/330143006.db2.gz CPZVKTVLFQGBNF-KONPQCLYSA-N 1 3 290.451 3.053 20 0 CGADHO C[C@H](CCN[C@H]1C[C@@H](C)O[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379620111 330143008 /nfs/dbraw/zinc/14/30/08/330143008.db2.gz CPZVKTVLFQGBNF-KONPQCLYSA-N 1 3 290.451 3.053 20 0 CGADHO C[NH2+]C1CCN(C[C@H](c2ccccc2)C(C)C)CC1 ZINC000576227216 335174031 /nfs/dbraw/zinc/17/40/31/335174031.db2.gz LHTYSNUDADRVGJ-KRWDZBQOSA-N 1 3 260.425 3.110 20 0 CGADHO CNC1CC[NH+](C[C@H](c2ccccc2)C(C)C)CC1 ZINC000576227216 335174033 /nfs/dbraw/zinc/17/40/33/335174033.db2.gz LHTYSNUDADRVGJ-KRWDZBQOSA-N 1 3 260.425 3.110 20 0 CGADHO C[NH+](C)CC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000580621655 335304710 /nfs/dbraw/zinc/30/47/10/335304710.db2.gz ICNGSYVRLJCCSL-UHFFFAOYSA-N 1 3 298.833 3.295 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccccc1-n1cccn1 ZINC000177189815 335367820 /nfs/dbraw/zinc/36/78/20/335367820.db2.gz YXHLETDROXVFPZ-MRXNPFEDSA-N 1 3 298.434 3.009 20 0 CGADHO Cc1ccccc1[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000577626485 335381543 /nfs/dbraw/zinc/38/15/43/335381543.db2.gz HLEPVJKYCWZPJL-HLLBOEOZSA-N 1 3 258.409 3.306 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCNC1)Cc1ccccc1 ZINC000579461576 335762761 /nfs/dbraw/zinc/76/27/61/335762761.db2.gz FMZYWRVITVYVCB-QRQLOZEOSA-N 1 3 288.479 3.479 20 0 CGADHO COc1cccc2c1CCC[C@H]2NC[C@@H]1CCC[N@H+](C)C1 ZINC000194887878 336040147 /nfs/dbraw/zinc/04/01/47/336040147.db2.gz LSAXQBBSVRMZHP-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO COc1cccc2c1CCC[C@H]2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000194887878 336040148 /nfs/dbraw/zinc/04/01/48/336040148.db2.gz LSAXQBBSVRMZHP-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)CN(C)C ZINC000383684562 336116490 /nfs/dbraw/zinc/11/64/90/336116490.db2.gz PNWCZOKPIQMPHM-SNVBAGLBSA-N 1 3 275.223 3.281 20 0 CGADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](C)CN ZINC000423311861 533730227 /nfs/dbraw/zinc/73/02/27/533730227.db2.gz UMRKWTQQRDLDTP-UONOGXRCSA-N 1 3 287.451 3.409 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423466468 533871324 /nfs/dbraw/zinc/87/13/24/533871324.db2.gz XFTYMMBLRJXODK-ZJUUUORDSA-N 1 3 290.329 3.205 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368564331 533981597 /nfs/dbraw/zinc/98/15/97/533981597.db2.gz QXEDBOJTMYYEIK-FHLIZLRMSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368564331 533981610 /nfs/dbraw/zinc/98/16/10/533981610.db2.gz QXEDBOJTMYYEIK-FHLIZLRMSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000368564331 533981618 /nfs/dbraw/zinc/98/16/18/533981618.db2.gz QXEDBOJTMYYEIK-FHLIZLRMSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CNC1 ZINC000423175186 534011618 /nfs/dbraw/zinc/01/16/18/534011618.db2.gz DIAVUHBEUZMUDN-GHJWDPDVSA-N 1 3 278.827 3.174 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358505585 534053544 /nfs/dbraw/zinc/05/35/44/534053544.db2.gz KHIOCJOARMTHNX-ZDUSSCGKSA-N 1 3 278.827 3.477 20 0 CGADHO C[C@]1(CNCC(c2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC000415086077 534176147 /nfs/dbraw/zinc/17/61/47/534176147.db2.gz RPSXOUDGXNOGRY-FQEVSTJZSA-N 1 3 294.442 3.408 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000037643974 520426307 /nfs/dbraw/zinc/42/63/07/520426307.db2.gz WCBKFVHBUJBOFI-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO c1ccc([C@H](NCCC2=CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423536658 534501876 /nfs/dbraw/zinc/50/18/76/534501876.db2.gz IBSGXZRBIWIZBW-IBGZPJMESA-N 1 3 293.414 3.070 20 0 CGADHO CC(C)(C)C[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000513208863 534649060 /nfs/dbraw/zinc/64/90/60/534649060.db2.gz ZQYMRPQYJBLASM-KRWDZBQOSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)(C)C[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513208863 534649066 /nfs/dbraw/zinc/64/90/66/534649066.db2.gz ZQYMRPQYJBLASM-KRWDZBQOSA-N 1 3 296.499 3.170 20 0 CGADHO Cc1cccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1F ZINC000449323714 534711980 /nfs/dbraw/zinc/71/19/80/534711980.db2.gz AUCDMSSELUNXBA-INIZCTEOSA-N 1 3 290.426 3.298 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Cl)s2)C1 ZINC000459739174 536384274 /nfs/dbraw/zinc/38/42/74/536384274.db2.gz SFYTUWPTXGIBSJ-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Cl)s2)C1 ZINC000459739174 536384277 /nfs/dbraw/zinc/38/42/77/536384277.db2.gz SFYTUWPTXGIBSJ-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000049554228 524479604 /nfs/dbraw/zinc/47/96/04/524479604.db2.gz YXVNSVDDKWTOOF-SMDDNHRTSA-N 1 3 282.428 3.292 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000156088391 524992754 /nfs/dbraw/zinc/99/27/54/524992754.db2.gz KKMLFAKMYMGSTK-LLVKDONJSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1F ZINC000088163777 525404693 /nfs/dbraw/zinc/40/46/93/525404693.db2.gz FNAPKJKFRZZSDC-FFHGMXDLSA-N 1 3 276.399 3.492 20 0 CGADHO Cc1nc(C)c([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000156670228 526745949 /nfs/dbraw/zinc/74/59/49/526745949.db2.gz BVDFDLUBHDPJPQ-SNVBAGLBSA-N 1 3 287.432 3.214 20 0 CGADHO CC(C)(C)c1cnc(CNC[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415009901 526822325 /nfs/dbraw/zinc/82/23/25/526822325.db2.gz UHXFKPYUWODJRH-VXGBXAGGSA-N 1 3 281.469 3.048 20 0 CGADHO CC(C)(N)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423289601 527256729 /nfs/dbraw/zinc/25/67/29/527256729.db2.gz XVGYYJSERLBERX-CYBMUJFWSA-N 1 3 252.789 3.044 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000166849726 527753450 /nfs/dbraw/zinc/75/34/50/527753450.db2.gz LOWVIFOPGNAFSG-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CCC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000166849835 527754385 /nfs/dbraw/zinc/75/43/85/527754385.db2.gz LOWVIFOPGNAFSG-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C(C)(C)C ZINC000423406538 527850580 /nfs/dbraw/zinc/85/05/80/527850580.db2.gz UUIBCFPFTKMLOG-ILXRZTDVSA-N 1 3 254.462 3.425 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423283228 528165165 /nfs/dbraw/zinc/16/51/65/528165165.db2.gz DZPFINYMJYJOQS-ZDUSSCGKSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423283734 528207380 /nfs/dbraw/zinc/20/73/80/528207380.db2.gz XLQOYQWVOXQYLX-BBRMVZONSA-N 1 3 264.413 3.108 20 0 CGADHO CCOc1ccc(Cl)cc1[C@H](C)NCC[C@@H]1CC[NH2+]C1 ZINC000423254491 528475949 /nfs/dbraw/zinc/47/59/49/528475949.db2.gz YENQJEWLXFRPFT-STQMWFEESA-N 1 3 296.842 3.389 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423332920 528492555 /nfs/dbraw/zinc/49/25/55/528492555.db2.gz HMDFPVMRWWPICH-MSOLQXFVSA-N 1 3 292.442 3.372 20 0 CGADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000423441955 528689191 /nfs/dbraw/zinc/68/91/91/528689191.db2.gz BLOPYADAFCNIFB-UKRRQHHQSA-N 1 3 264.413 3.253 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423287855 528690926 /nfs/dbraw/zinc/69/09/26/528690926.db2.gz OXRIDCJWAORNMM-ZDUSSCGKSA-N 1 3 264.413 3.253 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414053898 528988511 /nfs/dbraw/zinc/98/85/11/528988511.db2.gz BAZKDZDPSWJLPX-AWEZNQCLSA-N 1 3 276.424 3.139 20 0 CGADHO CC(C)[C@H]([NH2+]CCOCCN(C)C)c1ccc(Cl)cc1 ZINC000447597410 529121167 /nfs/dbraw/zinc/12/11/67/529121167.db2.gz FWUFIOSOEVDCKE-INIZCTEOSA-N 1 3 298.858 3.205 20 0 CGADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000423349001 529158028 /nfs/dbraw/zinc/15/80/28/529158028.db2.gz VNKAJXDQCLGDJG-LLVKDONJSA-N 1 3 270.829 3.362 20 0 CGADHO CC[C@@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423563194 529160185 /nfs/dbraw/zinc/16/01/85/529160185.db2.gz RCFLCBHHMXFUQE-MRXNPFEDSA-N 1 3 280.362 3.315 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317807 529178763 /nfs/dbraw/zinc/17/87/63/529178763.db2.gz KPVIVNOUPCPTBZ-UONOGXRCSA-N 1 3 284.350 3.066 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(OC(F)F)cc1 ZINC000423193408 529207442 /nfs/dbraw/zinc/20/74/42/529207442.db2.gz QNXXXHLMJBNSPM-GXTWGEPZSA-N 1 3 284.350 3.081 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423314418 529247471 /nfs/dbraw/zinc/24/74/71/529247471.db2.gz HCMZGORPXSZWRX-XHDPSFHLSA-N 1 3 264.438 3.187 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423462682 529344260 /nfs/dbraw/zinc/34/42/60/529344260.db2.gz DTCRXEGRYFZDBD-AETAKHFUSA-N 1 3 290.426 3.297 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000481030616 534958969 /nfs/dbraw/zinc/95/89/69/534958969.db2.gz ASQALWUWDBDUMX-PMUMKWKESA-N 1 3 290.426 3.381 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCc2ccccc2C1)CN1CCCC1 ZINC000477921890 535154144 /nfs/dbraw/zinc/15/41/44/535154144.db2.gz WTBXSIGOGLZUJU-GOSISDBHSA-N 1 3 286.463 3.256 20 0 CGADHO CC(C)(Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCNC1 ZINC000469974544 535192778 /nfs/dbraw/zinc/19/27/78/535192778.db2.gz GOQYAFBKKFFAFC-CYBMUJFWSA-N 1 3 280.843 3.250 20 0 CGADHO CC(C)(Cc1ccccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000469974544 535192780 /nfs/dbraw/zinc/19/27/80/535192780.db2.gz GOQYAFBKKFFAFC-CYBMUJFWSA-N 1 3 280.843 3.250 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1OC ZINC000037644436 535804673 /nfs/dbraw/zinc/80/46/73/535804673.db2.gz KTSHPIOPLUFBKO-GOEBONIOSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649083 535912185 /nfs/dbraw/zinc/91/21/85/535912185.db2.gz VWKGOVFTEDGLHF-OCCSQVGLSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649083 535912189 /nfs/dbraw/zinc/91/21/89/535912189.db2.gz VWKGOVFTEDGLHF-OCCSQVGLSA-N 1 3 264.438 3.273 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2sccc2Cl)C1 ZINC000459785619 536383931 /nfs/dbraw/zinc/38/39/31/536383931.db2.gz OYCVZLAVZODADS-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2sccc2Cl)C1 ZINC000459785619 536383932 /nfs/dbraw/zinc/38/39/32/536383932.db2.gz OYCVZLAVZODADS-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO CCCSC[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000892944560 618959709 /nfs/dbraw/zinc/95/97/09/618959709.db2.gz RZQFYUHBPVMQHR-GJZGRUSLSA-N 1 3 272.502 3.228 20 0 CGADHO CSCCCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000235163624 619300104 /nfs/dbraw/zinc/30/01/04/619300104.db2.gz UARYVZVYFKWOOT-KGLIPLIRSA-N 1 3 258.475 3.017 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCSC(C)(C)C)C[C@H]1C ZINC000801925020 630367858 /nfs/dbraw/zinc/36/78/58/630367858.db2.gz YHWNKUSEENYDGR-ZIAGYGMSSA-N 1 3 272.502 3.323 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCSC(C)(C)C)C[C@H]1C ZINC000801925020 630367863 /nfs/dbraw/zinc/36/78/63/630367863.db2.gz YHWNKUSEENYDGR-ZIAGYGMSSA-N 1 3 272.502 3.323 20 0 CGADHO C[C@@H](NCCCCCC[NH3+])c1nc2c(s1)CCCC2 ZINC000843343256 617795375 /nfs/dbraw/zinc/79/53/75/617795375.db2.gz YKFZPFVFWAPTMW-GFCCVEGCSA-N 1 3 281.469 3.192 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170095 617960907 /nfs/dbraw/zinc/96/09/07/617960907.db2.gz XXXJJKHESOAZBH-UHFFFAOYSA-N 1 3 290.451 3.078 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000892585259 618868251 /nfs/dbraw/zinc/86/82/51/618868251.db2.gz SSUHBACYAYJGFL-AWEZNQCLSA-N 1 3 293.455 3.147 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000892585259 618868252 /nfs/dbraw/zinc/86/82/52/618868252.db2.gz SSUHBACYAYJGFL-AWEZNQCLSA-N 1 3 293.455 3.147 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2ccc(C(F)(F)F)cc2)C12CCC2 ZINC000925509628 619004274 /nfs/dbraw/zinc/00/42/74/619004274.db2.gz NHOCYHCODSMRGH-KBPBESRZSA-N 1 3 298.352 3.107 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C(C1CC1)C1CC1 ZINC000925513853 619008562 /nfs/dbraw/zinc/00/85/62/619008562.db2.gz HXDDVSNJADRFHP-ROUUACIJSA-N 1 3 276.468 3.181 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[C@H](N)C23CCC3)cc1 ZINC000925642973 619102829 /nfs/dbraw/zinc/10/28/29/619102829.db2.gz USJLOJULZJOVHL-CWRNSKLLSA-N 1 3 290.476 3.335 20 0 CGADHO C1CC12CCC([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC2 ZINC000925651461 619109249 /nfs/dbraw/zinc/10/92/49/619109249.db2.gz DCKFBAYRLUIRHE-IAGOWNOFSA-N 1 3 276.468 3.467 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)[C@@H]2CCCN[C@@H]21 ZINC000925680872 619128985 /nfs/dbraw/zinc/12/89/85/619128985.db2.gz RJKFEXUYFREDQD-RFQIPJPRSA-N 1 3 286.410 3.178 20 0 CGADHO CC1(C)[C@H](NC[C@@H]2CCCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925680872 619128987 /nfs/dbraw/zinc/12/89/87/619128987.db2.gz RJKFEXUYFREDQD-RFQIPJPRSA-N 1 3 286.410 3.178 20 0 CGADHO COC1CCC(C[NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000893534044 619207154 /nfs/dbraw/zinc/20/71/54/619207154.db2.gz GEFRUHJFDYKCCA-KLAILNCOSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccsc1 ZINC000925777076 619239905 /nfs/dbraw/zinc/23/99/05/619239905.db2.gz NSIOHUQDMNXFRY-STQMWFEESA-N 1 3 288.407 3.424 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925779727 619242051 /nfs/dbraw/zinc/24/20/51/619242051.db2.gz PDQZJTOETWJYTL-ZYHUDNBSSA-N 1 3 288.769 3.235 20 0 CGADHO CCSc1ccccc1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925834891 619286587 /nfs/dbraw/zinc/28/65/87/619286587.db2.gz JEESCDVBBCBRCO-JKSUJKDBSA-N 1 3 290.476 3.201 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1cnc2ccccc2c1 ZINC000925834912 619286639 /nfs/dbraw/zinc/28/66/39/619286639.db2.gz JEMREFHTLQRORP-WMZOPIPTSA-N 1 3 283.419 3.027 20 0 CGADHO [NH3+]CCC[C@H](NCc1cccc2c1OCC2)c1ccccc1 ZINC000925873551 619302730 /nfs/dbraw/zinc/30/27/30/619302730.db2.gz BNFKIHHHKRVQJC-SFHVURJKSA-N 1 3 296.414 3.191 20 0 CGADHO CCC[NH+](CCC)CCCNC1CC2(C1)COC(C)(C)C2 ZINC000924929935 619445427 /nfs/dbraw/zinc/44/54/27/619445427.db2.gz NGDLDIWEXJESIL-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO Cc1ncoc1CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000894357775 619502754 /nfs/dbraw/zinc/50/27/54/619502754.db2.gz ZHBXXTCGOUFAAW-UHFFFAOYSA-N 1 3 291.439 3.116 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@H](C)N(C)C ZINC000895293741 619798801 /nfs/dbraw/zinc/79/88/01/619798801.db2.gz KYNODSXQOKASFN-KBPBESRZSA-N 1 3 266.404 3.077 20 0 CGADHO C[C@H](CN[C@@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C ZINC000896720991 620049768 /nfs/dbraw/zinc/04/97/68/620049768.db2.gz KTRLMFNGHZMSMO-ZBFHGGJFSA-N 1 3 277.456 3.346 20 0 CGADHO CCOc1ccc(CNC2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000896951671 620111575 /nfs/dbraw/zinc/11/15/75/620111575.db2.gz QLTIVLPVKCIWMW-UHFFFAOYSA-N 1 3 292.423 3.175 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000925212580 620230871 /nfs/dbraw/zinc/23/08/71/620230871.db2.gz JOBONFPMJCMJKM-ROUUACIJSA-N 1 3 296.499 3.028 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2coc3ccccc23)C1 ZINC000924705897 620569447 /nfs/dbraw/zinc/56/94/47/620569447.db2.gz NCCMKWACANYOMM-ZIAGYGMSSA-N 1 3 272.392 3.425 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1C ZINC000902405873 621291642 /nfs/dbraw/zinc/29/16/42/621291642.db2.gz PWSUKRDGWFKTNJ-HOCLYGCPSA-N 1 3 290.451 3.432 20 0 CGADHO [NH3+]CCCC[C@@H](N[C@H]1C=CCC1)c1ccc(F)cc1F ZINC000902391623 621301824 /nfs/dbraw/zinc/30/18/24/621301824.db2.gz HLONYPSGZOCLNP-XJKSGUPXSA-N 1 3 280.362 3.443 20 0 CGADHO C[C@H]([NH2+]CC1(N)CC1)c1cc(Cl)cc(Cl)c1 ZINC000902418023 621310706 /nfs/dbraw/zinc/31/07/06/621310706.db2.gz UKDBLHBYOINPDU-QMMMGPOBSA-N 1 3 259.180 3.135 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902478422 621327541 /nfs/dbraw/zinc/32/75/41/621327541.db2.gz WSFBVQXZTBFUMS-HSFUPAIVSA-N 1 3 270.420 3.195 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902450305 621329327 /nfs/dbraw/zinc/32/93/27/621329327.db2.gz COWIDWHJQHGHQD-OCCSQVGLSA-N 1 3 273.424 3.222 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902468177 621339044 /nfs/dbraw/zinc/33/90/44/621339044.db2.gz MFDYJHKJKWVLGY-KISRQWFGSA-N 1 3 296.867 3.376 20 0 CGADHO CCC(C)(C)[C@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381803 621723275 /nfs/dbraw/zinc/72/32/75/621723275.db2.gz YWRJEGDNOGPLDA-HOCLYGCPSA-N 1 3 277.456 3.489 20 0 CGADHO c1cc2ccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454373 621761300 /nfs/dbraw/zinc/76/13/00/621761300.db2.gz ZCOYZZKLQRGLDN-WMZOPIPTSA-N 1 3 283.419 3.132 20 0 CGADHO [NH3+][C@H](CNCCc1cc(Cl)cc(Cl)c1)CC(F)F ZINC000903922960 621833625 /nfs/dbraw/zinc/83/36/25/621833625.db2.gz IGNWAKQCQRGXJV-NSHDSACASA-N 1 3 297.176 3.108 20 0 CGADHO [NH3+]CC1([C@@H]2CCCCN2CCOc2ccccc2)CCC1 ZINC000903814461 621808816 /nfs/dbraw/zinc/80/88/16/621808816.db2.gz LWWKRMQCGWQEQY-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO Cc1nc(C)c(CN2CCCC[C@@H]2C2(C[NH3+])CCC2)s1 ZINC000903811845 621813934 /nfs/dbraw/zinc/81/39/34/621813934.db2.gz OOJOBJOGMBRLBH-OAHLLOKOSA-N 1 3 293.480 3.243 20 0 CGADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCSc1ccc(Cl)cc1)C2 ZINC000903846985 621820522 /nfs/dbraw/zinc/82/05/22/621820522.db2.gz ROFQRPAYQWSEBF-UBHSHLNASA-N 1 3 296.867 3.244 20 0 CGADHO NC[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856170 621821113 /nfs/dbraw/zinc/82/11/13/621821113.db2.gz QRLKQTLCDZODSH-TZMCWYRMSA-N 1 3 284.325 3.019 20 0 CGADHO NC[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856170 621821116 /nfs/dbraw/zinc/82/11/16/621821116.db2.gz QRLKQTLCDZODSH-TZMCWYRMSA-N 1 3 284.325 3.019 20 0 CGADHO C[C@]1(CN2CCCCC[C@@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301196 621901674 /nfs/dbraw/zinc/90/16/74/621901674.db2.gz AWAXKYLMWSEHRS-MSOLQXFVSA-N 1 3 287.451 3.388 20 0 CGADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000904374383 621914264 /nfs/dbraw/zinc/91/42/64/621914264.db2.gz RROOHTFFPBCDEF-OWCLPIDISA-N 1 3 282.472 3.031 20 0 CGADHO C[C@H](Cc1cccs1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227537220 623020996 /nfs/dbraw/zinc/02/09/96/623020996.db2.gz QUZWVQFHCJBIDQ-LYRGGWFBSA-N 1 3 272.417 3.414 20 0 CGADHO C[C@H](Cc1cccs1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227537208 623021462 /nfs/dbraw/zinc/02/14/62/623021462.db2.gz QUZWVQFHCJBIDQ-HFBAOOFYSA-N 1 3 272.417 3.414 20 0 CGADHO COc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)c(C)c1 ZINC000921610915 625696331 /nfs/dbraw/zinc/69/63/31/625696331.db2.gz ALDKEPIQSRWPPP-UHFFFAOYSA-N 1 3 288.435 3.110 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000921688723 625839867 /nfs/dbraw/zinc/83/98/67/625839867.db2.gz CLGYTBUJCWNAQY-HRCADAONSA-N 1 3 284.513 3.371 20 0 CGADHO Cc1coc(CNC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922847044 626057817 /nfs/dbraw/zinc/05/78/17/626057817.db2.gz ULKIVUXFFSUEPU-UHFFFAOYSA-N 1 3 262.397 3.085 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000759381531 626892872 /nfs/dbraw/zinc/89/28/72/626892872.db2.gz ZCXAJZHRGVTBMJ-ULQDDVLXSA-N 1 3 284.488 3.122 20 0 CGADHO CCCCCC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000759381531 626892874 /nfs/dbraw/zinc/89/28/74/626892874.db2.gz ZCXAJZHRGVTBMJ-ULQDDVLXSA-N 1 3 284.488 3.122 20 0 CGADHO CC[C@H](CN[C@@H]1CCc2cc(C)ccc21)[NH+]1CCCC1 ZINC000764871625 627231040 /nfs/dbraw/zinc/23/10/40/627231040.db2.gz XZBIJPXXTANXMK-SJLPKXTDSA-N 1 3 272.436 3.446 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)c1 ZINC000765075694 627239336 /nfs/dbraw/zinc/23/93/36/627239336.db2.gz VLWRLWBPMQTPDB-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H](C)C[NH+]1CCCC1 ZINC000765119262 627241020 /nfs/dbraw/zinc/24/10/20/627241020.db2.gz MRKOYHSBLNPHOB-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccn1 ZINC000766080350 627293061 /nfs/dbraw/zinc/29/30/61/627293061.db2.gz DQXWLAKDGRCUPF-SFHVURJKSA-N 1 3 287.451 3.243 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620508 628289232 /nfs/dbraw/zinc/28/92/32/628289232.db2.gz QZAJLXQIKDLSBN-YOEHRIQHSA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620508 628289235 /nfs/dbraw/zinc/28/92/35/628289235.db2.gz QZAJLXQIKDLSBN-YOEHRIQHSA-N 1 3 278.415 3.318 20 0 CGADHO C[N@H+]1C[C@H]2CN(Cc3ccccc3-c3ccccc3)C[C@H]2C1 ZINC000787305952 629007695 /nfs/dbraw/zinc/00/76/95/629007695.db2.gz QFCVHNLDFWAOKT-KDURUIRLSA-N 1 3 292.426 3.347 20 0 CGADHO C[N@@H+]1C[C@H]2CN(Cc3ccccc3-c3ccccc3)C[C@H]2C1 ZINC000787305952 629007698 /nfs/dbraw/zinc/00/76/98/629007698.db2.gz QFCVHNLDFWAOKT-KDURUIRLSA-N 1 3 292.426 3.347 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000790055711 629180833 /nfs/dbraw/zinc/18/08/33/629180833.db2.gz QQJULKPSJJLBKL-NVXWUHKLSA-N 1 3 272.436 3.038 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796832067 629843687 /nfs/dbraw/zinc/84/36/87/629843687.db2.gz LTDCHKGEJJMERX-NXHRZFHOSA-N 1 3 272.436 3.266 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000796832067 629843688 /nfs/dbraw/zinc/84/36/88/629843688.db2.gz LTDCHKGEJJMERX-NXHRZFHOSA-N 1 3 272.436 3.266 20 0 CGADHO Cc1cc(Br)cc(C[NH2+]C[C@H](C)CN(C)C)c1 ZINC000813786894 631461441 /nfs/dbraw/zinc/46/14/41/631461441.db2.gz ULMGSIGGYKBKEB-LBPRGKRZSA-N 1 3 299.256 3.045 20 0 CGADHO CC1(C)OCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000815570757 631797148 /nfs/dbraw/zinc/79/71/48/631797148.db2.gz LQDHPHHLEHFEKT-QGZVFWFLSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(C)OCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000815570757 631797156 /nfs/dbraw/zinc/79/71/56/631797156.db2.gz LQDHPHHLEHFEKT-QGZVFWFLSA-N 1 3 294.483 3.188 20 0 CGADHO CCc1noc(C)c1[C@H](C)NCCCCC[NH+]1CCCC1 ZINC000815647850 631811574 /nfs/dbraw/zinc/81/15/74/631811574.db2.gz WXSVWDOKDKAWKY-AWEZNQCLSA-N 1 3 293.455 3.462 20 0 CGADHO C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000816648243 632035012 /nfs/dbraw/zinc/03/50/12/632035012.db2.gz HMBWCJAITRCQGC-HOTGVXAUSA-N 1 3 288.435 3.001 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc2c(c1)CCO2 ZINC000817937106 632237837 /nfs/dbraw/zinc/23/78/37/632237837.db2.gz SXUXRXIMMIHRAK-MRXNPFEDSA-N 1 3 288.435 3.324 20 0 CGADHO [NH3+]CCCN[C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817938513 632239443 /nfs/dbraw/zinc/23/94/43/632239443.db2.gz MAPRWGCNNLTKMQ-CYBMUJFWSA-N 1 3 286.391 3.317 20 0 CGADHO CCC[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccccn1 ZINC000817949923 632246756 /nfs/dbraw/zinc/24/67/56/632246756.db2.gz UITMFKODUZRZKF-QGZVFWFLSA-N 1 3 283.419 3.214 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000817961382 632257445 /nfs/dbraw/zinc/25/74/45/632257445.db2.gz XXJHDAKKIGWESK-JHJVBQTASA-N 1 3 258.475 3.014 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000817981219 632271561 /nfs/dbraw/zinc/27/15/61/632271561.db2.gz HGTKOTPQLVMONQ-SJORKVTESA-N 1 3 258.409 3.089 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817986012 632274123 /nfs/dbraw/zinc/27/41/23/632274123.db2.gz PBFDPFNPGXMKAG-CHWSQXEVSA-N 1 3 270.486 3.171 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000817986012 632274128 /nfs/dbraw/zinc/27/41/28/632274128.db2.gz PBFDPFNPGXMKAG-CHWSQXEVSA-N 1 3 270.486 3.171 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000821372885 632759768 /nfs/dbraw/zinc/75/97/68/632759768.db2.gz AUGFQYFDIQZITK-XWTMOSNGSA-N 1 3 294.483 3.140 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000821372885 632759778 /nfs/dbraw/zinc/75/97/78/632759778.db2.gz AUGFQYFDIQZITK-XWTMOSNGSA-N 1 3 294.483 3.140 20 0 CGADHO Fc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000866229213 633036500 /nfs/dbraw/zinc/03/65/00/633036500.db2.gz ONBPDMFJWVYMHM-ACJLOTCBSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1cccc2c1CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000866229213 633036505 /nfs/dbraw/zinc/03/65/05/633036505.db2.gz ONBPDMFJWVYMHM-ACJLOTCBSA-N 1 3 288.410 3.277 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2cc(O)ccc2F)CC1 ZINC000872038593 633957578 /nfs/dbraw/zinc/95/75/78/633957578.db2.gz MXESPXXWYHSPKD-CYBMUJFWSA-N 1 3 294.414 3.304 20 0 CGADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([O-])c1F ZINC000872080859 634005447 /nfs/dbraw/zinc/00/54/47/634005447.db2.gz TVJCCLKPGUVCPX-HIFPTAJRSA-N 1 3 280.387 3.055 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC000873243591 634298041 /nfs/dbraw/zinc/29/80/41/634298041.db2.gz YNYLJRYJLBEHML-ZDUSSCGKSA-N 1 3 287.451 3.470 20 0 CGADHO Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000877525333 635071640 /nfs/dbraw/zinc/07/16/40/635071640.db2.gz ZPIOEPDQDBGUOA-FUHWJXTLSA-N 1 3 274.452 3.246 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877739460 635174018 /nfs/dbraw/zinc/17/40/18/635174018.db2.gz GHAHFGZYLJYRQV-WMLDXEAASA-N 1 3 284.403 3.267 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877739460 635174022 /nfs/dbraw/zinc/17/40/22/635174022.db2.gz GHAHFGZYLJYRQV-WMLDXEAASA-N 1 3 284.403 3.267 20 0 CGADHO [NH3+]CCCCCCCN1CCc2cc(F)ccc2C1 ZINC000842476530 635379266 /nfs/dbraw/zinc/37/92/66/635379266.db2.gz QPKQZORMKPVHOE-UHFFFAOYSA-N 1 3 264.388 3.093 20 0 CGADHO [NH3+]C1CCC(NCc2csc(-c3cccs3)n2)CC1 ZINC000843104722 635559137 /nfs/dbraw/zinc/55/91/37/635559137.db2.gz ADJVMYWPOUQVOY-UHFFFAOYSA-N 1 3 293.461 3.231 20 0 CGADHO CC(C)(N)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119123 635560988 /nfs/dbraw/zinc/56/09/88/635560988.db2.gz DYCVTKDFGLAGBO-GFCCVEGCSA-N 1 3 286.341 3.232 20 0 CGADHO CC(C)(N)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000843119123 635560993 /nfs/dbraw/zinc/56/09/93/635560993.db2.gz DYCVTKDFGLAGBO-GFCCVEGCSA-N 1 3 286.341 3.232 20 0 CGADHO C[C@H](NCCC[C@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844922959 635984624 /nfs/dbraw/zinc/98/46/24/635984624.db2.gz DPLQKDXCDFMACE-SRVKXCTJSA-N 1 3 279.255 3.081 20 0 CGADHO CC[C@H](NCCOCC[NH+](C)C)c1sccc1Cl ZINC000883217807 636591479 /nfs/dbraw/zinc/59/14/79/636591479.db2.gz OGZMYYUVAYZHDK-LBPRGKRZSA-N 1 3 290.860 3.020 20 0 CGADHO N[C@@H]1CCCCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883437846 636756397 /nfs/dbraw/zinc/75/63/97/636756397.db2.gz CJJLGKAMROHITN-QWHCGFSZSA-N 1 3 260.372 3.015 20 0 CGADHO N[C@@H]1CCCCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883437846 636756404 /nfs/dbraw/zinc/75/64/04/636756404.db2.gz CJJLGKAMROHITN-QWHCGFSZSA-N 1 3 260.372 3.015 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000883439393 636757477 /nfs/dbraw/zinc/75/74/77/636757477.db2.gz QAGQJNHSMBCETG-RHSMWYFYSA-N 1 3 282.472 3.031 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000883439393 636757480 /nfs/dbraw/zinc/75/74/80/636757480.db2.gz QAGQJNHSMBCETG-RHSMWYFYSA-N 1 3 282.472 3.031 20 0 CGADHO CC(C)N1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885902934 637309374 /nfs/dbraw/zinc/30/93/74/637309374.db2.gz CNYMCPYAGKBJSU-XQRVVYSFSA-N 1 3 276.399 3.301 20 0 CGADHO Fc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000886792298 637692276 /nfs/dbraw/zinc/69/22/76/637692276.db2.gz UMFZGLFUOFRWEU-SFHVURJKSA-N 1 3 288.410 3.277 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924572028 638365507 /nfs/dbraw/zinc/36/55/07/638365507.db2.gz PZTKNGSQDQHNGH-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC000925221801 638478435 /nfs/dbraw/zinc/47/84/35/638478435.db2.gz PHVINBLOKJIDDQ-FUHWJXTLSA-N 1 3 296.499 3.148 20 0 CGADHO C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C(C1CC1)C1CC1 ZINC000925513851 638515292 /nfs/dbraw/zinc/51/52/92/638515292.db2.gz HXDDVSNJADRFHP-MSOLQXFVSA-N 1 3 276.468 3.181 20 0 CGADHO CC1(C)C[C@@H](NC/C=C\c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925614285 638545094 /nfs/dbraw/zinc/54/50/94/638545094.db2.gz XQRJTAXIDHWCOM-GSNCDVCBSA-N 1 3 258.409 3.195 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000925732505 638587301 /nfs/dbraw/zinc/58/73/01/638587301.db2.gz CDBDTXPCXLVLIL-JTQLQIEISA-N 1 3 285.382 3.181 20 0 CGADHO CC(C)([NH3+])CCN[C@@H]1CCc2cc(Br)ccc21 ZINC000925741498 638592632 /nfs/dbraw/zinc/59/26/32/638592632.db2.gz SXSXMQHXJKNBGN-CYBMUJFWSA-N 1 3 297.240 3.153 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccsc1 ZINC000925776897 638608643 /nfs/dbraw/zinc/60/86/43/638608643.db2.gz NSIOHUQDMNXFRY-CHWSQXEVSA-N 1 3 288.407 3.424 20 0 CGADHO C[C@H](N[C@@H]1CCCn2nccc21)c1cccc(C[NH+](C)C)c1 ZINC000926816027 638815474 /nfs/dbraw/zinc/81/54/74/638815474.db2.gz JYRKRRIVFJQRSD-WMLDXEAASA-N 1 3 298.434 3.130 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H]2C=CCC2)CC1 ZINC000926835370 638816070 /nfs/dbraw/zinc/81/60/70/638816070.db2.gz BQMFLHNSKGPWMF-HNNXBMFYSA-N 1 3 250.430 3.053 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000926903015 638823431 /nfs/dbraw/zinc/82/34/31/638823431.db2.gz CYAQHXXCEKLBDE-IJEWVQPXSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000926903015 638823432 /nfs/dbraw/zinc/82/34/32/638823432.db2.gz CYAQHXXCEKLBDE-IJEWVQPXSA-N 1 3 276.424 3.137 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931433920 639148797 /nfs/dbraw/zinc/14/87/97/639148797.db2.gz LDARGUOFYMNUMT-BBWFWOEESA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931433920 639148799 /nfs/dbraw/zinc/14/87/99/639148799.db2.gz LDARGUOFYMNUMT-BBWFWOEESA-N 1 3 258.409 3.021 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094365743 640794702 /nfs/dbraw/zinc/79/47/02/640794702.db2.gz NYDAPEKHKVSDKX-DLBZAZTESA-N 1 3 294.483 3.332 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCSc2ccc(F)cc21 ZINC000250032106 640810085 /nfs/dbraw/zinc/81/00/85/640810085.db2.gz RIHLYDMORNMRDF-CQDKDKBSSA-N 1 3 294.439 3.470 20 0 CGADHO CC(C)[NH+]1CCC(N2CC[C@@H](C)C(F)(F)CC2)CC1 ZINC001257214834 807063349 /nfs/dbraw/zinc/06/33/49/807063349.db2.gz MWNCBVKGNVMIFH-CYBMUJFWSA-N 1 3 274.399 3.226 20 0 CGADHO CCCC[C@H](O)CNCCC[NH+](CCCC)CCCC ZINC001252113316 806002858 /nfs/dbraw/zinc/00/28/58/806002858.db2.gz XYYZLHZULZYDAL-KRWDZBQOSA-N 1 3 286.504 3.419 20 0 CGADHO CN(C[C@@H](O)C(C)(C)C)C1CC[NH+](C2CCCCC2)CC1 ZINC001253732325 806288092 /nfs/dbraw/zinc/28/80/92/806288092.db2.gz JUMMHGMMQMLKPS-QGZVFWFLSA-N 1 3 296.499 3.122 20 0 CGADHO CN1CCC[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505257 806425679 /nfs/dbraw/zinc/42/56/79/806425679.db2.gz DPEYGPWYZKICPY-MLGOLLRUSA-N 1 3 280.362 3.026 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2Cc3ccccc3C2)C1 ZINC001255012117 806523925 /nfs/dbraw/zinc/52/39/25/806523925.db2.gz OXELTMBKMYCKOW-IYBDPMFKSA-N 1 3 286.463 3.111 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC2Cc3ccccc3C2)C1 ZINC001255012117 806523936 /nfs/dbraw/zinc/52/39/36/806523936.db2.gz OXELTMBKMYCKOW-IYBDPMFKSA-N 1 3 286.463 3.111 20 0 CGADHO C[C@H]([NH3+])c1ccc2c(ccn2-c2nccc3c2CCN3)c1 ZINC001162900162 806682258 /nfs/dbraw/zinc/68/22/58/806682258.db2.gz UMOPJHYTBDKLSM-NSHDSACASA-N 1 3 278.359 3.013 20 0 CGADHO CC[C@H]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000092899015 798960271 /nfs/dbraw/zinc/96/02/71/798960271.db2.gz QSADUEKWSCEQJD-HOCLYGCPSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@H]1CC[C@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092899015 798960276 /nfs/dbraw/zinc/96/02/76/798960276.db2.gz QSADUEKWSCEQJD-HOCLYGCPSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccc(C2CC2)cc1 ZINC000094522180 798969595 /nfs/dbraw/zinc/96/95/95/798969595.db2.gz BPPDTQUSRFVMSC-ZFWWWQNUSA-N 1 3 258.409 3.123 20 0 CGADHO CSC(C)(C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000385303988 799425182 /nfs/dbraw/zinc/42/51/82/799425182.db2.gz LIIDDOXJCALBBX-UHFFFAOYSA-N 1 3 272.502 3.371 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000403517470 799567311 /nfs/dbraw/zinc/56/73/11/799567311.db2.gz OUARSEBKWMBDHR-IKRKAOPQSA-N 1 3 274.433 3.147 20 0 CGADHO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950646 799741339 /nfs/dbraw/zinc/74/13/39/799741339.db2.gz YWQASWCPPYKBCS-FZMZJTMJSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950646 799741349 /nfs/dbraw/zinc/74/13/49/799741349.db2.gz YWQASWCPPYKBCS-FZMZJTMJSA-N 1 3 264.438 3.014 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001255947302 806792261 /nfs/dbraw/zinc/79/22/61/806792261.db2.gz QSFUQVWKJPFAHI-VGWMRTNUSA-N 1 3 252.446 3.275 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1ccc(F)cc1 ZINC001255945502 806792808 /nfs/dbraw/zinc/79/28/08/806792808.db2.gz LJSWYDZZVFIMSJ-HNNXBMFYSA-N 1 3 280.431 3.468 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)CC(C)(C)C1 ZINC000708767101 799993262 /nfs/dbraw/zinc/99/32/62/799993262.db2.gz MXNKRGGULGKBBT-RRFJBIMHSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709806488 800019557 /nfs/dbraw/zinc/01/95/57/800019557.db2.gz DJELYGMQCQJXRV-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709806488 800019559 /nfs/dbraw/zinc/01/95/59/800019559.db2.gz DJELYGMQCQJXRV-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@H]1C ZINC000715509602 800137182 /nfs/dbraw/zinc/13/71/82/800137182.db2.gz NFJNMSVBJYKBLP-DGXTUMSLSA-N 1 3 252.446 3.274 20 0 CGADHO Cc1nc([C@H](C)NC2CCC(C)([NH+](C)C)CC2)cs1 ZINC000715543495 800139061 /nfs/dbraw/zinc/13/90/61/800139061.db2.gz OFQHHYHWKSAQRU-ZOODHJKOSA-N 1 3 281.469 3.365 20 0 CGADHO C[C@H]1CC(N2Cc3ccccc3C[C@H]2C[NH3+])C[C@H](C)C1 ZINC000721501287 800290411 /nfs/dbraw/zinc/29/04/11/800290411.db2.gz GQLDOCLWUUBRHZ-LBTNJELSSA-N 1 3 272.436 3.197 20 0 CGADHO Fc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1C(F)F ZINC001119941074 802710491 /nfs/dbraw/zinc/71/04/91/802710491.db2.gz VPGRQPJKGWBFDL-GFCCVEGCSA-N 1 3 298.352 3.337 20 0 CGADHO CC1(C)CN(c2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC001120779430 802776495 /nfs/dbraw/zinc/77/64/95/802776495.db2.gz HPGCENKCIKAJLD-UHFFFAOYSA-N 1 3 281.403 3.182 20 0 CGADHO CN1CCCC[C@H]1c1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243895004 803065416 /nfs/dbraw/zinc/06/54/16/803065416.db2.gz VBDCTVXNGLEYDC-FZMUQLTDSA-N 1 3 285.435 3.251 20 0 CGADHO CC[NH+](CC)Cc1ccccc1Nc1ccncc1C ZINC001211986361 814963656 /nfs/dbraw/zinc/96/36/56/814963656.db2.gz LAPNEJUUFDEQOO-UHFFFAOYSA-N 1 3 269.392 3.397 20 0 CGADHO CN(C)Cc1ccnc(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001245524781 803789480 /nfs/dbraw/zinc/78/94/80/803789480.db2.gz TWDBHYQTLQIGMG-UHFFFAOYSA-N 1 3 295.430 3.277 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1[nH]c2ccccc2c1C ZINC001138401842 803919448 /nfs/dbraw/zinc/91/94/48/803919448.db2.gz XDIAOTNYXVHIQO-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1[nH]c2ccccc2c1C ZINC001138401842 803919456 /nfs/dbraw/zinc/91/94/56/803919456.db2.gz XDIAOTNYXVHIQO-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO CCCc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)s1 ZINC001138528582 803962176 /nfs/dbraw/zinc/96/21/76/803962176.db2.gz WSPVLJDBASBEBP-UHFFFAOYSA-N 1 3 278.465 3.228 20 0 CGADHO Cc1cccc(Cl)c1CN(C)CC1CC[NH+](C)CC1 ZINC001138719599 804015578 /nfs/dbraw/zinc/01/55/78/804015578.db2.gz ABANENYTAQWFFD-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO Cc1cccc(Cl)c1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001138722076 804017405 /nfs/dbraw/zinc/01/74/05/804017405.db2.gz OHOKFIZBAUMAPQ-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1cccc(Cl)c1CN1CCC2(C[NH+](C)C2)CC1 ZINC001138722076 804017415 /nfs/dbraw/zinc/01/74/15/804017415.db2.gz OHOKFIZBAUMAPQ-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1ccc(C)c(CCN[C@H]2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001246072214 804109942 /nfs/dbraw/zinc/10/99/42/804109942.db2.gz HCSDBCVKMQBFPV-ZWKOTPCHSA-N 1 3 274.452 3.212 20 0 CGADHO CC[C@@H]1CC(NCCc2cccc(F)c2)C[C@@H](CC)[NH2+]1 ZINC001246076186 804113847 /nfs/dbraw/zinc/11/38/47/804113847.db2.gz YEMUKMKITGAFPN-HZPDHXFCSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246081293 804117474 /nfs/dbraw/zinc/11/74/74/804117474.db2.gz MSDBOVWVOCNVBD-KGLIPLIRSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246080063 804117918 /nfs/dbraw/zinc/11/79/18/804117918.db2.gz HMAPRLDBOUEOST-LSDHHAIUSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@@H]1CC[NH2+][C@@H]1C ZINC001246094616 804126892 /nfs/dbraw/zinc/12/68/92/804126892.db2.gz WCOXJHGCBITOER-XQQFMLRXSA-N 1 3 298.883 3.408 20 0 CGADHO CC[C@H]1CC(NCCc2ccc(C)cc2)C[C@H](CC)[NH2+]1 ZINC001246099210 804131287 /nfs/dbraw/zinc/13/12/87/804131287.db2.gz QROPCGFFMOUDAW-IRXDYDNUSA-N 1 3 274.452 3.436 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@]1(C)CCC[NH2+]CC1 ZINC001246102854 804134751 /nfs/dbraw/zinc/13/47/51/804134751.db2.gz TXYZHGJQIKQRPY-CZUORRHYSA-N 1 3 296.455 3.428 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)NC[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246101879 804134831 /nfs/dbraw/zinc/13/48/31/804134831.db2.gz BUZUJZJFPVBHGZ-UGUYLWEFSA-N 1 3 254.462 3.425 20 0 CGADHO CCCCCC1CCC([NH2+]C[C@@]2(O)CCCCNC2)CC1 ZINC001246112206 804143086 /nfs/dbraw/zinc/14/30/86/804143086.db2.gz PYQZKZYHMYRUMR-DAWZGUTISA-N 1 3 296.499 3.220 20 0 CGADHO CC[C@H](C)C[C@H](CC)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246117015 804148190 /nfs/dbraw/zinc/14/81/90/804148190.db2.gz YUGNVCMVRUXGKJ-KKUMJFAQSA-N 1 3 258.425 3.273 20 0 CGADHO C1CC12CNC[C@@H]2[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246135351 804161013 /nfs/dbraw/zinc/16/10/13/804161013.db2.gz UJKQMTZHHQRWQU-CABCVRRESA-N 1 3 262.441 3.221 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2ccccc2Cl)CC[NH2+]1 ZINC001246154676 804172584 /nfs/dbraw/zinc/17/25/84/804172584.db2.gz BPQDKUIPVOPWCT-HOCLYGCPSA-N 1 3 280.843 3.249 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@@H](C(C)C)C2)cc1C ZINC001246162964 804179485 /nfs/dbraw/zinc/17/94/85/804179485.db2.gz STYKAEROKBPXNV-ZWKOTPCHSA-N 1 3 274.452 3.212 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246179062 804192673 /nfs/dbraw/zinc/19/26/73/804192673.db2.gz ZHXRXRDIPMONCD-LSDHHAIUSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](N[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246209275 804208971 /nfs/dbraw/zinc/20/89/71/804208971.db2.gz GQJAIVAJCYMUET-YVSFHVDLSA-N 1 3 272.436 3.299 20 0 CGADHO CCCC[C@@H](CC)COCCC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246217101 804211853 /nfs/dbraw/zinc/21/18/53/804211853.db2.gz PUQVJFQJQXCGCE-BBWFWOEESA-N 1 3 284.488 3.340 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@H]2C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246214185 804211866 /nfs/dbraw/zinc/21/18/66/804211866.db2.gz YRZPISIYLUDILM-ADHGMGHFSA-N 1 3 272.436 3.441 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246219753 804214752 /nfs/dbraw/zinc/21/47/52/804214752.db2.gz CRZWFJSUVNBQEN-QLFBSQMISA-N 1 3 258.425 3.273 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246245099 804234920 /nfs/dbraw/zinc/23/49/20/804234920.db2.gz MNAJGGMLGBXMDH-PVAVHDDUSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)NCC[C@H]1CCCC[NH2+]1 ZINC001246245183 804235306 /nfs/dbraw/zinc/23/53/06/804235306.db2.gz NOXYXMJSFUVNRD-DZGCQCFKSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1)C1CCCC1 ZINC001246244841 804235712 /nfs/dbraw/zinc/23/57/12/804235712.db2.gz PQCOCPRPBJJXDL-CFVMTHIKSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC001246274968 804252028 /nfs/dbraw/zinc/25/20/28/804252028.db2.gz XTBYRKOUDTWXFR-NWDGAFQWSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246287012 804260222 /nfs/dbraw/zinc/26/02/22/804260222.db2.gz JONHIMVEJFGELH-XOKHGSTOSA-N 1 3 258.409 3.258 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@@H](C)CSc1ccc(F)cc1 ZINC001246300480 804266688 /nfs/dbraw/zinc/26/66/88/804266688.db2.gz OORBAXWTUJGHHR-GXTWGEPZSA-N 1 3 284.444 3.269 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246312142 804273051 /nfs/dbraw/zinc/27/30/51/804273051.db2.gz GEKNFECQZRNNEY-GXSJLCMTSA-N 1 3 290.785 3.266 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)C[NH2+]1 ZINC001246322627 804281086 /nfs/dbraw/zinc/28/10/86/804281086.db2.gz BYBSRAQZFJIBSO-UCWSCHQOSA-N 1 3 284.447 3.299 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CCN1 ZINC001246324352 804282813 /nfs/dbraw/zinc/28/28/13/804282813.db2.gz GWRKTALGQGZNLC-UOBLNPGPSA-N 1 3 284.447 3.299 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246330692 804286720 /nfs/dbraw/zinc/28/67/20/804286720.db2.gz FJRRFBSMONYYAI-WQANXHIZSA-N 1 3 286.463 3.443 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC(C)(C)C1 ZINC001246334586 804289993 /nfs/dbraw/zinc/28/99/93/804289993.db2.gz UUXTWMFXLPEDBX-AALSBFMBSA-N 1 3 264.457 3.464 20 0 CGADHO CC(C)C[C@@H](N)c1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC001246333918 804290050 /nfs/dbraw/zinc/29/00/50/804290050.db2.gz RTHSSKGINIDDNZ-ZIAGYGMSSA-N 1 3 286.423 3.007 20 0 CGADHO C[C@@H]1CC([NH2+]CCCCc2ccccc2)C[C@@H](C)N1 ZINC001246341768 804294831 /nfs/dbraw/zinc/29/48/31/804294831.db2.gz MIEBPWZMBXCROI-HUUCEWRRSA-N 1 3 260.425 3.128 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@H]2CC[NH2+]C(C)(C)C2)c1F ZINC001246345810 804296162 /nfs/dbraw/zinc/29/61/62/804296162.db2.gz XMSVBZRBEBNXAN-LBPRGKRZSA-N 1 3 298.833 3.450 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CCCc2cccc(N)c2)CCN1 ZINC001246358204 804304068 /nfs/dbraw/zinc/30/40/68/804304068.db2.gz YOMVYGQEEQLCRS-QZTJIDSGSA-N 1 3 289.467 3.102 20 0 CGADHO CC1CCC([NH2+]C2(CC3CC3)CCNCC2)CC1 ZINC001246381602 804313989 /nfs/dbraw/zinc/31/39/89/804313989.db2.gz QVFPXRJDMZQYAP-UHFFFAOYSA-N 1 3 250.430 3.077 20 0 CGADHO CCCC1CCC([NH2+]C2(CCOC)CCNCC2)CC1 ZINC001246385860 804316698 /nfs/dbraw/zinc/31/66/98/804316698.db2.gz FSEPGEXMOPVKDT-UHFFFAOYSA-N 1 3 282.472 3.094 20 0 CGADHO Fc1ccc([C@H](CC2CCC2)[NH2+][C@H]2CCCNC2)cc1 ZINC001246411266 804325295 /nfs/dbraw/zinc/32/52/95/804325295.db2.gz TXHHLTJBDNBIKC-IRXDYDNUSA-N 1 3 276.399 3.399 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430700 804330190 /nfs/dbraw/zinc/33/01/90/804330190.db2.gz HJTMHBUAWIFBBB-CVEARBPZSA-N 1 3 264.457 3.467 20 0 CGADHO CCCC[C@@H](C)NC1(c2ccccc2)CC[NH2+]CC1 ZINC001246432813 804332527 /nfs/dbraw/zinc/33/25/27/804332527.db2.gz YEGWUELJIBODRI-OAHLLOKOSA-N 1 3 260.425 3.434 20 0 CGADHO CC[C@@H]1CC(N[C@@H]2Cc3ccc(F)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246452683 804335909 /nfs/dbraw/zinc/33/59/09/804335909.db2.gz LTICBXBUOVAPJC-BRWVUGGUSA-N 1 3 290.426 3.192 20 0 CGADHO CC(C)[NH2+]CCNC1CCC(Cc2ccccc2)CC1 ZINC001246458642 804339453 /nfs/dbraw/zinc/33/94/53/804339453.db2.gz HXLVLUZOGKPJQQ-UHFFFAOYSA-N 1 3 274.452 3.376 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246460564 804342153 /nfs/dbraw/zinc/34/21/53/804342153.db2.gz VBHBGJZWCBUGHX-DGADGQDISA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246466652 804345412 /nfs/dbraw/zinc/34/54/12/804345412.db2.gz XJYFJQYGPTVZDC-VHRBIJSZSA-N 1 3 284.856 3.290 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)CCN1 ZINC001246465675 804346909 /nfs/dbraw/zinc/34/69/09/804346909.db2.gz LFRMDOFZHKVTEN-BRWVUGGUSA-N 1 3 272.436 3.227 20 0 CGADHO CC(C)P(CC[NH2+][C@@H]1CC[C@H](C)NC1)C(C)C ZINC001246470665 804347910 /nfs/dbraw/zinc/34/79/10/804347910.db2.gz QQGOOLWSVPYDJP-UONOGXRCSA-N 1 3 258.390 3.015 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246473628 804351476 /nfs/dbraw/zinc/35/14/76/804351476.db2.gz MIQWZIWCSIMPQV-OAHLLOKOSA-N 1 3 252.446 3.179 20 0 CGADHO CCCCCC[C@H](CC)[NH2+][C@@H]1CCNCC12CC2 ZINC001246475256 804353204 /nfs/dbraw/zinc/35/32/04/804353204.db2.gz UHMRRKSSKOQOMD-LSDHHAIUSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCCCC2CCCCC2)CCN1 ZINC001246477914 804353765 /nfs/dbraw/zinc/35/37/65/804353765.db2.gz JQHDIIBQJPSPHZ-HOCLYGCPSA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC)C1CNC1 ZINC001246514426 804370117 /nfs/dbraw/zinc/37/01/17/804370117.db2.gz HOCHNWSNDZKVBJ-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO CC[C@H](N[C@@H](C)CSc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC001246513369 804370234 /nfs/dbraw/zinc/37/02/34/804370234.db2.gz DLWHYZODVONJMR-NHYWBVRUSA-N 1 3 298.883 3.408 20 0 CGADHO CCCCCC[C@@H](C)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246515091 804370430 /nfs/dbraw/zinc/37/04/30/804370430.db2.gz JLDNUGKYZJLQBS-CZUORRHYSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246520234 804374682 /nfs/dbraw/zinc/37/46/82/804374682.db2.gz VZWSTATUEBOAOK-RTBURBONSA-N 1 3 286.463 3.231 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246521003 804377311 /nfs/dbraw/zinc/37/73/11/804377311.db2.gz XWHJWYXJJHGTTR-HOTGVXAUSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]1CC(N2Cc3ccccc3[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246548723 804397460 /nfs/dbraw/zinc/39/74/60/804397460.db2.gz OIGIEGMGOVQVNV-BFHYXJOUSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CC([N@H+]2Cc3ccccc3[C@@H](C)C2)C[C@@H](C)N1 ZINC001246548723 804397468 /nfs/dbraw/zinc/39/74/68/804397468.db2.gz OIGIEGMGOVQVNV-BFHYXJOUSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CC([N@@H+]2Cc3ccccc3[C@@H](C)C2)C[C@@H](C)N1 ZINC001246548723 804397476 /nfs/dbraw/zinc/39/74/76/804397476.db2.gz OIGIEGMGOVQVNV-BFHYXJOUSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246556622 804405670 /nfs/dbraw/zinc/40/56/70/804405670.db2.gz JWSYRBBDNNDTRQ-AGIUHOORSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246556622 804405674 /nfs/dbraw/zinc/40/56/74/804405674.db2.gz JWSYRBBDNNDTRQ-AGIUHOORSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246562033 804411946 /nfs/dbraw/zinc/41/19/46/804411946.db2.gz HONYSSMVOGMCRK-NFAWXSAZSA-N 1 3 280.843 3.330 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CC[NH2+]C[C@@H](C)C1 ZINC001246570451 804417259 /nfs/dbraw/zinc/41/72/59/804417259.db2.gz INXOKRBKCFUTSV-SJLPKXTDSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC001246571290 804419275 /nfs/dbraw/zinc/41/92/75/804419275.db2.gz IIHRSRFQHOBQCP-KFWWJZLASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC001246571290 804419278 /nfs/dbraw/zinc/41/92/78/804419278.db2.gz IIHRSRFQHOBQCP-KFWWJZLASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246581714 804426610 /nfs/dbraw/zinc/42/66/10/804426610.db2.gz AIGSTIADUPGQOD-NVXWUHKLSA-N 1 3 290.476 3.154 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246581714 804426607 /nfs/dbraw/zinc/42/66/07/804426607.db2.gz AIGSTIADUPGQOD-NVXWUHKLSA-N 1 3 290.476 3.154 20 0 CGADHO C[C@]1(C[NH3+])CCCCN([C@H]2CSc3ccccc3C2)C1 ZINC001246581714 804426613 /nfs/dbraw/zinc/42/66/13/804426613.db2.gz AIGSTIADUPGQOD-NVXWUHKLSA-N 1 3 290.476 3.154 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246582853 804427439 /nfs/dbraw/zinc/42/74/39/804427439.db2.gz HTKAMAFAWFVBKT-YOEHRIQHSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246582853 804427441 /nfs/dbraw/zinc/42/74/41/804427441.db2.gz HTKAMAFAWFVBKT-YOEHRIQHSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1C[C@H](C[NH3+])CC[C@H]1C ZINC001246595060 804434914 /nfs/dbraw/zinc/43/49/14/804434914.db2.gz XLCWKLBPCVKJPZ-MCIONIFRSA-N 1 3 296.455 3.366 20 0 CGADHO Cc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246607290 804442093 /nfs/dbraw/zinc/44/20/93/804442093.db2.gz GJDSELYQLBZJML-FUHWJXTLSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(C[C@H](C)[N@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246607290 804442094 /nfs/dbraw/zinc/44/20/94/804442094.db2.gz GJDSELYQLBZJML-FUHWJXTLSA-N 1 3 272.436 3.144 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246610593 804444779 /nfs/dbraw/zinc/44/47/79/804444779.db2.gz PTPKMANUEZSUPF-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246610593 804444783 /nfs/dbraw/zinc/44/47/83/804444783.db2.gz PTPKMANUEZSUPF-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246610537 804445082 /nfs/dbraw/zinc/44/50/82/804445082.db2.gz BPUVHZFGAOKZQA-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@]3(CCCCN3)C2)C1 ZINC001246610537 804445085 /nfs/dbraw/zinc/44/50/85/804445085.db2.gz BPUVHZFGAOKZQA-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@]3(CCCCN3)C2)C1 ZINC001246610537 804445088 /nfs/dbraw/zinc/44/50/88/804445088.db2.gz BPUVHZFGAOKZQA-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619923 804454201 /nfs/dbraw/zinc/45/42/01/804454201.db2.gz MTUNAJWKGPXHJE-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627857 804458268 /nfs/dbraw/zinc/45/82/68/804458268.db2.gz AOZUEHCJBNRLAL-XLAORIBOSA-N 1 3 270.420 3.149 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246644228 804472553 /nfs/dbraw/zinc/47/25/53/804472553.db2.gz XSQXSLLLHDLKGR-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1CCC12CCNCC2 ZINC001246644228 804472555 /nfs/dbraw/zinc/47/25/55/804472555.db2.gz XSQXSLLLHDLKGR-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246646708 804473676 /nfs/dbraw/zinc/47/36/76/804473676.db2.gz HKUDXKUVBJJQKH-WBVHZDCISA-N 1 3 282.431 3.188 20 0 CGADHO C1CC12CCC([N@@H+]1CCCC[C@]13CCCNC3)CC2 ZINC001246650393 804478976 /nfs/dbraw/zinc/47/89/76/804478976.db2.gz HRJVPLNXBUFDLP-QGZVFWFLSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC12CCC([N@H+]1CCCC[C@]13CCCNC3)CC2 ZINC001246650393 804478978 /nfs/dbraw/zinc/47/89/78/804478978.db2.gz HRJVPLNXBUFDLP-QGZVFWFLSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC12CCC(N1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246650393 804478979 /nfs/dbraw/zinc/47/89/79/804478979.db2.gz HRJVPLNXBUFDLP-QGZVFWFLSA-N 1 3 262.441 3.317 20 0 CGADHO N[C@@H]1[C@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001246660585 804483575 /nfs/dbraw/zinc/48/35/75/804483575.db2.gz VNAXQAKWLHPPQU-OEBNTDPQSA-N 1 3 290.838 3.255 20 0 CGADHO N[C@@H]1[C@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]21 ZINC001246660585 804483579 /nfs/dbraw/zinc/48/35/79/804483579.db2.gz VNAXQAKWLHPPQU-OEBNTDPQSA-N 1 3 290.838 3.255 20 0 CGADHO CCCCCC[C@@H](CCCC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660584 804484371 /nfs/dbraw/zinc/48/43/71/804484371.db2.gz VMROXUMCHYXIES-WCVJEAGWSA-N 1 3 252.446 3.405 20 0 CGADHO CCCCCC[C@@H](CCCC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660584 804484374 /nfs/dbraw/zinc/48/43/74/804484374.db2.gz VMROXUMCHYXIES-WCVJEAGWSA-N 1 3 252.446 3.405 20 0 CGADHO [NH3+][C@@]12C[C@@H]1CCN([C@H]1CCC[C@@H](c3ccccc3)C1)C2 ZINC001246664293 804487027 /nfs/dbraw/zinc/48/70/27/804487027.db2.gz YGPOSJQEJUDMMP-VSZNYVQBSA-N 1 3 270.420 3.136 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670386 804489461 /nfs/dbraw/zinc/48/94/61/804489461.db2.gz BVTNIRARYJCVQV-KRFUXDQASA-N 1 3 296.458 3.038 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670386 804489465 /nfs/dbraw/zinc/48/94/65/804489465.db2.gz BVTNIRARYJCVQV-KRFUXDQASA-N 1 3 296.458 3.038 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246688717 804497294 /nfs/dbraw/zinc/49/72/94/804497294.db2.gz HIAIOMDKRRJFCH-XHSDSOJGSA-N 1 3 270.436 3.369 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246688717 804497299 /nfs/dbraw/zinc/49/72/99/804497299.db2.gz HIAIOMDKRRJFCH-XHSDSOJGSA-N 1 3 270.436 3.369 20 0 CGADHO Cc1ccc2c(c1)C1(CC2)CC[NH+](C2CCNCC2)CC1 ZINC001246746792 804501490 /nfs/dbraw/zinc/50/14/90/804501490.db2.gz JENDLHRPIGXTOO-UHFFFAOYSA-N 1 3 284.447 3.027 20 0 CGADHO Cc1ccc2c(c1)C1(CC2)CCN(C2CC[NH2+]CC2)CC1 ZINC001246746792 804501497 /nfs/dbraw/zinc/50/14/97/804501497.db2.gz JENDLHRPIGXTOO-UHFFFAOYSA-N 1 3 284.447 3.027 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246777725 804506759 /nfs/dbraw/zinc/50/67/59/804506759.db2.gz TVJIHWRNISZOIY-QZTJIDSGSA-N 1 3 286.463 3.472 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246777725 804506766 /nfs/dbraw/zinc/50/67/66/804506766.db2.gz TVJIHWRNISZOIY-QZTJIDSGSA-N 1 3 286.463 3.472 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(CCc2ccccc2)CC1 ZINC001246782370 804507671 /nfs/dbraw/zinc/50/76/71/804507671.db2.gz SIQHTKWGKXPEQL-INIZCTEOSA-N 1 3 274.452 3.329 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(CCc2ccccc2)CC1 ZINC001246782373 804508749 /nfs/dbraw/zinc/50/87/49/804508749.db2.gz SIQHTKWGKXPEQL-MRXNPFEDSA-N 1 3 274.452 3.329 20 0 CGADHO C[NH2+]CC1CCN([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001246783434 804510402 /nfs/dbraw/zinc/51/04/02/804510402.db2.gz XBZZGFWUUXLTPS-GFCCVEGCSA-N 1 3 298.833 3.342 20 0 CGADHO COCC[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C1CCNCC1 ZINC001246838622 804546478 /nfs/dbraw/zinc/54/64/78/804546478.db2.gz ZBTKWMRDIDRMNA-CVEARBPZSA-N 1 3 284.488 3.148 20 0 CGADHO COCC[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)C1CCNCC1 ZINC001246838622 804546480 /nfs/dbraw/zinc/54/64/80/804546480.db2.gz ZBTKWMRDIDRMNA-CVEARBPZSA-N 1 3 284.488 3.148 20 0 CGADHO COCC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C1CCNCC1 ZINC001246838625 804546929 /nfs/dbraw/zinc/54/69/29/804546929.db2.gz ZBTKWMRDIDRMNA-JKSUJKDBSA-N 1 3 284.488 3.148 20 0 CGADHO COCC[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C1CCNCC1 ZINC001246838625 804546936 /nfs/dbraw/zinc/54/69/36/804546936.db2.gz ZBTKWMRDIDRMNA-JKSUJKDBSA-N 1 3 284.488 3.148 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1CCN ZINC001246846620 804555617 /nfs/dbraw/zinc/55/56/17/804555617.db2.gz PMATYOKQJLOKDC-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H]1CCN ZINC001246846620 804555622 /nfs/dbraw/zinc/55/56/22/804555622.db2.gz PMATYOKQJLOKDC-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246847590 804558342 /nfs/dbraw/zinc/55/83/42/804558342.db2.gz UWXOZFNSAGNTEM-IHRRRGAJSA-N 1 3 252.446 3.131 20 0 CGADHO C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246847590 804558346 /nfs/dbraw/zinc/55/83/46/804558346.db2.gz UWXOZFNSAGNTEM-IHRRRGAJSA-N 1 3 252.446 3.131 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246862855 804567557 /nfs/dbraw/zinc/56/75/57/804567557.db2.gz DWPZNTQJJQUANX-BZSNNMDCSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246862855 804567562 /nfs/dbraw/zinc/56/75/62/804567562.db2.gz DWPZNTQJJQUANX-BZSNNMDCSA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@H]1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246892965 804582700 /nfs/dbraw/zinc/58/27/00/804582700.db2.gz KUGZKWPWIRPYIA-LUKYLMHMSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)CC23CC3)CCN1 ZINC001246892763 804582924 /nfs/dbraw/zinc/58/29/24/804582924.db2.gz IRCWATGDAWXRSQ-ZNMIVQPWSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)CC23CC3)CCN1 ZINC001246892763 804582927 /nfs/dbraw/zinc/58/29/27/804582927.db2.gz IRCWATGDAWXRSQ-ZNMIVQPWSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH+]1CCCNCCC1 ZINC001246907757 804592054 /nfs/dbraw/zinc/59/20/54/804592054.db2.gz VFHCATFJAKACDR-GOSISDBHSA-N 1 3 274.452 3.473 20 0 CGADHO CN(Cc1cccc(F)c1F)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246909255 804593459 /nfs/dbraw/zinc/59/34/59/804593459.db2.gz OHMRFKKLMHFIBP-CQSZACIVSA-N 1 3 294.389 3.319 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246910563 804594653 /nfs/dbraw/zinc/59/46/53/804594653.db2.gz UWZNZPLKFQUMEA-SCAQPMJSSA-N 1 3 260.425 3.346 20 0 CGADHO CCCCCC[C@H](CCCC)[N@@H+]1C[C@H]2CN[C@@H]2C1 ZINC001246922028 804602529 /nfs/dbraw/zinc/60/25/29/804602529.db2.gz UGSNKGHPUWIAMV-OWCLPIDISA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@H](CCCC)[N@H+]1C[C@H]2CN[C@@H]2C1 ZINC001246922028 804602533 /nfs/dbraw/zinc/60/25/33/804602533.db2.gz UGSNKGHPUWIAMV-OWCLPIDISA-N 1 3 252.446 3.419 20 0 CGADHO CCSC[C@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246940339 804610855 /nfs/dbraw/zinc/61/08/55/804610855.db2.gz WIYOHRXXFFDCSA-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO CCSC[C@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246940339 804610859 /nfs/dbraw/zinc/61/08/59/804610859.db2.gz WIYOHRXXFFDCSA-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO CCOCC[N@H+]([C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001246951314 804617006 /nfs/dbraw/zinc/61/70/06/804617006.db2.gz TZWSHYXXQOESIV-MRXNPFEDSA-N 1 3 282.472 3.212 20 0 CGADHO CCOCC[N@@H+]([C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001246951314 804617008 /nfs/dbraw/zinc/61/70/08/804617008.db2.gz TZWSHYXXQOESIV-MRXNPFEDSA-N 1 3 282.472 3.212 20 0 CGADHO CC(C)[N@H+]([C@H]1CCNC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969259 804621299 /nfs/dbraw/zinc/62/12/99/804621299.db2.gz ULJYZQSPHRKYQQ-ILXRZTDVSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCNC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969259 804621300 /nfs/dbraw/zinc/62/13/00/804621300.db2.gz ULJYZQSPHRKYQQ-ILXRZTDVSA-N 1 3 252.446 3.274 20 0 CGADHO CCSc1ccccc1CN1CC2(C1)CC[NH+](C)CC2 ZINC001249440440 805150970 /nfs/dbraw/zinc/15/09/70/805150970.db2.gz MYBGZPCZQFYLHH-UHFFFAOYSA-N 1 3 290.476 3.326 20 0 CGADHO CCCC[C@H](CC)[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001257427279 807151072 /nfs/dbraw/zinc/15/10/72/807151072.db2.gz ZHAXJMHEWBOBKM-JYJNAYRXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C1CCC1 ZINC001167977459 807290075 /nfs/dbraw/zinc/29/00/75/807290075.db2.gz CNRVLAVSBRHIHZ-FCLXEUQJSA-N 1 3 262.441 3.170 20 0 CGADHO CC[N@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981701 807291416 /nfs/dbraw/zinc/29/14/16/807291416.db2.gz FQZZVBCVGZXBJU-XYPWUTKMSA-N 1 3 250.430 3.122 20 0 CGADHO CC[N@@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981701 807291421 /nfs/dbraw/zinc/29/14/21/807291421.db2.gz FQZZVBCVGZXBJU-XYPWUTKMSA-N 1 3 250.430 3.122 20 0 CGADHO FC[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995754 807294762 /nfs/dbraw/zinc/29/47/62/807294762.db2.gz PTRCGGHMKSHBCU-PMRDEQMMSA-N 1 3 280.431 3.073 20 0 CGADHO FC[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995754 807294766 /nfs/dbraw/zinc/29/47/66/807294766.db2.gz PTRCGGHMKSHBCU-PMRDEQMMSA-N 1 3 280.431 3.073 20 0 CGADHO FC[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995754 807294772 /nfs/dbraw/zinc/29/47/72/807294772.db2.gz PTRCGGHMKSHBCU-PMRDEQMMSA-N 1 3 280.431 3.073 20 0 CGADHO FC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995754 807294777 /nfs/dbraw/zinc/29/47/77/807294777.db2.gz PTRCGGHMKSHBCU-PMRDEQMMSA-N 1 3 280.431 3.073 20 0 CGADHO CC1(C)CCCC[C@@H]1C[NH+]1CCN(c2ccncc2)CC1 ZINC001168176588 807334852 /nfs/dbraw/zinc/33/48/52/807334852.db2.gz XMIMXMYAFJBAHZ-MRXNPFEDSA-N 1 3 287.451 3.420 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2ccco2)CC1 ZINC001258181441 807346692 /nfs/dbraw/zinc/34/66/92/807346692.db2.gz NUBSLJCNTIXWMX-AWEZNQCLSA-N 1 3 278.440 3.453 20 0 CGADHO Cc1ccc(F)c(CNC2CCC([NH+](C)C)CC2)c1F ZINC001168294663 807374661 /nfs/dbraw/zinc/37/46/61/807374661.db2.gz AKTINIFZBBMGSR-UHFFFAOYSA-N 1 3 282.378 3.236 20 0 CGADHO Cn1ccc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc21 ZINC001168368398 807396238 /nfs/dbraw/zinc/39/62/38/807396238.db2.gz JFPIMLHEKRSXIG-UHFFFAOYSA-N 1 3 297.446 3.142 20 0 CGADHO Cc1ccc(CCN(C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168390487 807400763 /nfs/dbraw/zinc/40/07/63/807400763.db2.gz IEKMYDCAZSQTHI-UHFFFAOYSA-N 1 3 286.463 3.344 20 0 CGADHO COCCC1(N)CC[NH+]([C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001258691586 807547375 /nfs/dbraw/zinc/54/73/75/807547375.db2.gz GSZCIVKMXKZHNL-CABCVRRESA-N 1 3 282.472 3.031 20 0 CGADHO CCCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169099122 807576995 /nfs/dbraw/zinc/57/69/95/807576995.db2.gz NTUBXTJEQAXBLC-NNZMDNLPSA-N 1 3 272.436 3.354 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1cccc(Cl)c1 ZINC001258739377 807584863 /nfs/dbraw/zinc/58/48/63/807584863.db2.gz XUCBVRUMMDZFLP-CYBMUJFWSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1cccc(Cl)c1 ZINC001258739377 807584866 /nfs/dbraw/zinc/58/48/66/807584866.db2.gz XUCBVRUMMDZFLP-CYBMUJFWSA-N 1 3 268.832 3.330 20 0 CGADHO Cc1ccc(C[NH+]2CCCCC2)cc1-n1ccc([C@@H](C)N)n1 ZINC001169235126 807611318 /nfs/dbraw/zinc/61/13/18/807611318.db2.gz QVLNZCWHTDRCRP-OAHLLOKOSA-N 1 3 298.434 3.186 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCC(=O)c1ccc(C)cc1 ZINC001258901908 807670290 /nfs/dbraw/zinc/67/02/90/807670290.db2.gz PRYJSGYYYHYOPZ-INIZCTEOSA-N 1 3 290.451 3.278 20 0 CGADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@H]1CCCNC1 ZINC001261836580 807792766 /nfs/dbraw/zinc/79/27/66/807792766.db2.gz GZOACQSYZJZZBD-WMLDXEAASA-N 1 3 290.426 3.393 20 0 CGADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCCNC1 ZINC001261836580 807792771 /nfs/dbraw/zinc/79/27/71/807792771.db2.gz GZOACQSYZJZZBD-WMLDXEAASA-N 1 3 290.426 3.393 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([NH2+]C3CCN(C4CCCC4)CC3)C[C@@H]21 ZINC001170727305 807887866 /nfs/dbraw/zinc/88/78/66/807887866.db2.gz KYTDCNRCDQIHRT-ACHSLPGTSA-N 1 3 276.468 3.418 20 0 CGADHO CC1(C)[C@@H]2C[C@H](N3CCC([NH+]4CCCCC4)CC3)C[C@@H]21 ZINC001170742176 807897287 /nfs/dbraw/zinc/89/72/87/807897287.db2.gz ZFSBNCSTXNABIS-BJWYYQGGSA-N 1 3 276.468 3.371 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([NH+]3CCC(N4CCCCC4)CC3)C[C@@H]21 ZINC001170742176 807897295 /nfs/dbraw/zinc/89/72/95/807897295.db2.gz ZFSBNCSTXNABIS-BJWYYQGGSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149523 807998398 /nfs/dbraw/zinc/99/83/98/807998398.db2.gz XHGHYQBTTRPVHW-SKDRFNHKSA-N 1 3 287.234 3.035 20 0 CGADHO Cc1cccc2c1CC[C@@H]([NH+]1CCC(N(C)C3CC3)CC1)C2 ZINC001171575711 808102885 /nfs/dbraw/zinc/10/28/85/808102885.db2.gz XOPDJWFWGMAWTM-LJQANCHMSA-N 1 3 298.474 3.411 20 0 CGADHO CN1C(C)(C)CC([NH2+]CC2CCCC2)CC1(C)C ZINC001171613746 808105141 /nfs/dbraw/zinc/10/51/41/808105141.db2.gz PCNFWSYPROHTJQ-UHFFFAOYSA-N 1 3 252.446 3.418 20 0 CGADHO CN1C(C)(C)CC([NH2+]C2CC(F)(F)C2)CC1(C)C ZINC001171613016 808105466 /nfs/dbraw/zinc/10/54/66/808105466.db2.gz DCTLNHXGEDQWCC-UHFFFAOYSA-N 1 3 260.372 3.025 20 0 CGADHO CCCCOCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171622956 808106887 /nfs/dbraw/zinc/10/68/87/808106887.db2.gz DZHQWTQAQASFII-UHFFFAOYSA-N 1 3 284.488 3.434 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cnc1Cl ZINC001172106487 808176489 /nfs/dbraw/zinc/17/64/89/808176489.db2.gz PFLSRSQEEKXYAL-QKDCVEJESA-N 1 3 293.842 3.148 20 0 CGADHO Cc1ccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122336 808183417 /nfs/dbraw/zinc/18/34/17/808183417.db2.gz PEKTYXJPJGCNRD-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1ccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122336 808183420 /nfs/dbraw/zinc/18/34/20/808183420.db2.gz PEKTYXJPJGCNRD-PIIMJCKOSA-N 1 3 272.436 3.442 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CCC(N3CCCC3)CC2)C[C@H]1C ZINC001172369280 808264570 /nfs/dbraw/zinc/26/45/70/808264570.db2.gz ZOFHRYSWNWKFJW-INMHGKMJSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC001172369280 808264571 /nfs/dbraw/zinc/26/45/71/808264571.db2.gz ZOFHRYSWNWKFJW-INMHGKMJSA-N 1 3 264.457 3.371 20 0 CGADHO CCOCC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172422301 808303550 /nfs/dbraw/zinc/30/35/50/808303550.db2.gz DYDVHIHWUKBWQH-IAGOWNOFSA-N 1 3 294.483 3.212 20 0 CGADHO CC(C)OCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172432448 808310155 /nfs/dbraw/zinc/31/01/55/808310155.db2.gz AZZRFPCGQSPVIQ-HOTGVXAUSA-N 1 3 270.461 3.044 20 0 CGADHO CCSC[C@H](C)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001173290580 808591115 /nfs/dbraw/zinc/59/11/15/808591115.db2.gz DYQBAHYFQKJKES-KFWWJZLASA-N 1 3 272.502 3.086 20 0 CGADHO COC(=O)CCCC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001173438056 808634836 /nfs/dbraw/zinc/63/48/36/808634836.db2.gz WCBOIPMHJHOTRJ-CYBMUJFWSA-N 1 3 298.471 3.089 20 0 CGADHO Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001276119796 808988720 /nfs/dbraw/zinc/98/87/20/808988720.db2.gz DUAXSPZMMIDMMU-GOSISDBHSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001276119796 808988725 /nfs/dbraw/zinc/98/87/25/808988725.db2.gz DUAXSPZMMIDMMU-GOSISDBHSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC001276228585 808994604 /nfs/dbraw/zinc/99/46/04/808994604.db2.gz ZHYFNNMDGUGLNB-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC001276228585 808994611 /nfs/dbraw/zinc/99/46/11/808994611.db2.gz ZHYFNNMDGUGLNB-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccnc1CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276257705 808996978 /nfs/dbraw/zinc/99/69/78/808996978.db2.gz PUYCKFVWIZILCB-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO C[N@@H+]1C[C@@]23CN(CCc4ccccc4)C[C@]2(C1)CCCC3 ZINC001177008432 809775107 /nfs/dbraw/zinc/77/51/07/809775107.db2.gz KBKMWXGDZWIWFK-KDURUIRLSA-N 1 3 284.447 3.037 20 0 CGADHO C[N@H+]1C[C@@]23CN(CCc4ccccc4)C[C@]2(C1)CCCC3 ZINC001177008432 809775111 /nfs/dbraw/zinc/77/51/11/809775111.db2.gz KBKMWXGDZWIWFK-KDURUIRLSA-N 1 3 284.447 3.037 20 0 CGADHO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC001179814982 809947835 /nfs/dbraw/zinc/94/78/35/809947835.db2.gz CCUUARBFFFVATJ-OKZBNKHCSA-N 1 3 272.436 3.240 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001184387758 810197037 /nfs/dbraw/zinc/19/70/37/810197037.db2.gz NEOVCZNAOVMPJR-OLMNGRFOSA-N 1 3 264.457 3.131 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001184418390 810198356 /nfs/dbraw/zinc/19/83/56/810198356.db2.gz NNZKQFDPCXUJCG-CWRNSKLLSA-N 1 3 252.446 3.275 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)CC1 ZINC001196936383 811384951 /nfs/dbraw/zinc/38/49/51/811384951.db2.gz SHOOKWHRSWVKLT-ROUUACIJSA-N 1 3 294.483 3.142 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC[C@@H]2CCCO2)CC1 ZINC001196936383 811384961 /nfs/dbraw/zinc/38/49/61/811384961.db2.gz SHOOKWHRSWVKLT-ROUUACIJSA-N 1 3 294.483 3.142 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CC[C@H](C)SC1 ZINC001198901553 811552017 /nfs/dbraw/zinc/55/20/17/811552017.db2.gz WTUZHWXCSJNUOP-LSDHHAIUSA-N 1 3 272.502 3.372 20 0 CGADHO Cc1cc2cc(C[NH2+][C@H](C)CCN(C)C)oc2cc1C ZINC001199906729 811607955 /nfs/dbraw/zinc/60/79/55/811607955.db2.gz OCPSVWCALRLEOX-CQSZACIVSA-N 1 3 274.408 3.479 20 0 CGADHO C[NH+](C)Cc1ccc(-c2cncc3cc[nH]c32)cc1 ZINC001204638873 812697389 /nfs/dbraw/zinc/69/73/89/812697389.db2.gz QVNAOVKMOWFUIQ-UHFFFAOYSA-N 1 3 251.333 3.292 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@](C)(N)C1)c1cccc2ccccc21 ZINC001204763429 812728872 /nfs/dbraw/zinc/72/88/72/812728872.db2.gz JYLLLUUAPLNDFM-KSSFIOAISA-N 1 3 268.404 3.366 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@](C)(N)C1)c1cccc2ccccc21 ZINC001204763429 812728877 /nfs/dbraw/zinc/72/88/77/812728877.db2.gz JYLLLUUAPLNDFM-KSSFIOAISA-N 1 3 268.404 3.366 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001205000235 812817516 /nfs/dbraw/zinc/81/75/16/812817516.db2.gz AYFNDXXNIIXVBI-YSVLISHTSA-N 1 3 292.854 3.375 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205110144 812872039 /nfs/dbraw/zinc/87/20/39/812872039.db2.gz POJUOHZYLFIHEL-QGZVFWFLSA-N 1 3 281.403 3.062 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2c[nH]c3c2cccc3F)CC1 ZINC001205264321 812921211 /nfs/dbraw/zinc/92/12/11/812921211.db2.gz KKUUGLOFFFZIOW-INIZCTEOSA-N 1 3 275.371 3.010 20 0 CGADHO COc1c(C)cc(CN2CCC[C@](C)([NH3+])CC2)cc1C ZINC001205266985 812923329 /nfs/dbraw/zinc/92/33/29/812923329.db2.gz ZJCYCDKSHVWBDS-KRWDZBQOSA-N 1 3 276.424 3.015 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001205296617 812938182 /nfs/dbraw/zinc/93/81/82/812938182.db2.gz RQQHFQFYKRVRDF-MRXNPFEDSA-N 1 3 275.371 3.010 20 0 CGADHO CCCc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC001205303363 812941072 /nfs/dbraw/zinc/94/10/72/812941072.db2.gz CWUKOFBNJIQWED-STQMWFEESA-N 1 3 266.454 3.117 20 0 CGADHO C[C@@H]1CCNCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331877 812958725 /nfs/dbraw/zinc/95/87/25/812958725.db2.gz LBLDITDZHKTQOL-OAHLLOKOSA-N 1 3 296.414 3.243 20 0 CGADHO C[C@@H]1CCNCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331877 812958728 /nfs/dbraw/zinc/95/87/28/812958728.db2.gz LBLDITDZHKTQOL-OAHLLOKOSA-N 1 3 296.414 3.243 20 0 CGADHO C[C@@H]1CCN(Cc2nc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC001205615766 813027511 /nfs/dbraw/zinc/02/75/11/813027511.db2.gz AVROOVPSMKYBMQ-CHWSQXEVSA-N 1 3 289.448 3.103 20 0 CGADHO Cc1cc(F)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1 ZINC001205639165 813038108 /nfs/dbraw/zinc/03/81/08/813038108.db2.gz WTAZEGKTURFEBO-OLZOCXBDSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1CCCc1ccccc1Cl ZINC001205901272 813123178 /nfs/dbraw/zinc/12/31/78/813123178.db2.gz CDXQPYBGTDVVRK-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCCCCc1ccccc1 ZINC001205903067 813124588 /nfs/dbraw/zinc/12/45/88/813124588.db2.gz NLUAEZCBTRSHPB-SJLPKXTDSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903067 813124592 /nfs/dbraw/zinc/12/45/92/813124592.db2.gz NLUAEZCBTRSHPB-SJLPKXTDSA-N 1 3 274.452 3.459 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205916141 813133273 /nfs/dbraw/zinc/13/32/73/813133273.db2.gz SAGYNLYWYUYIKX-CRAIPNDOSA-N 1 3 274.452 3.444 20 0 CGADHO C[C@H]1CN(Cc2ccc(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001205993673 813155113 /nfs/dbraw/zinc/15/51/13/813155113.db2.gz IGRSKQFNIJRKJW-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206034793 813173756 /nfs/dbraw/zinc/17/37/56/813173756.db2.gz AFZOUOMREXMALT-BZUAXINKSA-N 1 3 284.488 3.277 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206034793 813173762 /nfs/dbraw/zinc/17/37/62/813173762.db2.gz AFZOUOMREXMALT-BZUAXINKSA-N 1 3 284.488 3.277 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206183086 813230237 /nfs/dbraw/zinc/23/02/37/813230237.db2.gz FLOWDJGUAOYGPO-SJORKVTESA-N 1 3 278.415 3.146 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206200146 813236360 /nfs/dbraw/zinc/23/63/60/813236360.db2.gz QROXYGFFFUUZPX-CVEARBPZSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206200146 813236366 /nfs/dbraw/zinc/23/63/66/813236366.db2.gz QROXYGFFFUUZPX-CVEARBPZSA-N 1 3 294.414 3.125 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2nc3ccccc3s2)CC1 ZINC001206305183 813281769 /nfs/dbraw/zinc/28/17/69/813281769.db2.gz VRDCHXLMXKNACE-INIZCTEOSA-N 1 3 289.448 3.247 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2nc3ccccc3s2)CC1 ZINC001206305184 813282386 /nfs/dbraw/zinc/28/23/86/813282386.db2.gz VRDCHXLMXKNACE-MRXNPFEDSA-N 1 3 289.448 3.247 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC001206318110 813286629 /nfs/dbraw/zinc/28/66/29/813286629.db2.gz MNXWNSPSRZMRME-SFHVURJKSA-N 1 3 299.418 3.293 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2cc3ccccc3o2)C1 ZINC001206548249 813347789 /nfs/dbraw/zinc/34/77/89/813347789.db2.gz IGSQFNBJDQKNNM-QGZVFWFLSA-N 1 3 272.392 3.384 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc3occc3c2)C1 ZINC001206549413 813349030 /nfs/dbraw/zinc/34/90/30/813349030.db2.gz MMMRXXDAPTZVPE-QGZVFWFLSA-N 1 3 272.392 3.384 20 0 CGADHO CC(C)N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206582980 813361467 /nfs/dbraw/zinc/36/14/67/813361467.db2.gz RBVXJXWXFXLCAK-INIZCTEOSA-N 1 3 264.388 3.178 20 0 CGADHO CC(C)[N@H+](CCC1CCCC1)[C@@H]1CCCNCC1 ZINC001206582116 813362325 /nfs/dbraw/zinc/36/23/25/813362325.db2.gz MALWDRNYJJZXRL-MRXNPFEDSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[N@@H+](CCC1CCCC1)[C@@H]1CCCNCC1 ZINC001206582116 813362333 /nfs/dbraw/zinc/36/23/33/813362333.db2.gz MALWDRNYJJZXRL-MRXNPFEDSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCCCCc1ccccc1 ZINC001206761071 813426272 /nfs/dbraw/zinc/42/62/72/813426272.db2.gz SLXAXXZJYDFCAP-WMZOPIPTSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCCCCc1ccccc1 ZINC001206761071 813426276 /nfs/dbraw/zinc/42/62/76/813426276.db2.gz SLXAXXZJYDFCAP-WMZOPIPTSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001206761470 813427402 /nfs/dbraw/zinc/42/74/02/813427402.db2.gz ZAYDPCXHSVSRTQ-HOTGVXAUSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761470 813427407 /nfs/dbraw/zinc/42/74/07/813427407.db2.gz ZAYDPCXHSVSRTQ-HOTGVXAUSA-N 1 3 274.452 3.414 20 0 CGADHO Cc1cc(F)cc(C)c1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805230 813441382 /nfs/dbraw/zinc/44/13/82/813441382.db2.gz AZQFQCWSGANNHD-UONOGXRCSA-N 1 3 264.388 3.002 20 0 CGADHO CC[N@H+](Cc1cccc(F)c1)CC(C)(C)CN(C)C ZINC001207283360 813533245 /nfs/dbraw/zinc/53/32/45/813533245.db2.gz XHAUNRLHGYKCEP-UHFFFAOYSA-N 1 3 266.404 3.235 20 0 CGADHO CC[N@@H+](Cc1cccc(F)c1)CC(C)(C)CN(C)C ZINC001207283360 813533249 /nfs/dbraw/zinc/53/32/49/813533249.db2.gz XHAUNRLHGYKCEP-UHFFFAOYSA-N 1 3 266.404 3.235 20 0 CGADHO CCC[NH+]1C[C@H]2CN(CC3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001207350082 813547489 /nfs/dbraw/zinc/54/74/89/813547489.db2.gz ZHUQCSPYYAOZKG-GJZGRUSLSA-N 1 3 286.410 3.086 20 0 CGADHO CCCN1C[C@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2C1 ZINC001207614902 813614907 /nfs/dbraw/zinc/61/49/07/813614907.db2.gz JAHHYLKPEDFEIS-OALUTQOASA-N 1 3 286.463 3.283 20 0 CGADHO CCC[NH+]1C[C@H]2CN(CCCCc3ccccc3)C[C@@H]2C1 ZINC001207614902 813614909 /nfs/dbraw/zinc/61/49/09/813614909.db2.gz JAHHYLKPEDFEIS-OALUTQOASA-N 1 3 286.463 3.283 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001207837389 813658768 /nfs/dbraw/zinc/65/87/68/813658768.db2.gz PLSBYZWGOMDHNU-MXASKKJJSA-N 1 3 264.457 3.275 20 0 CGADHO C(C[N@@H+]1CCCC[C@@H]1CCN1CCCC1)C1CC1 ZINC001208683813 813793818 /nfs/dbraw/zinc/79/38/18/813793818.db2.gz MGCMFBCXEIHVSZ-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO C(C[N@H+]1CCCC[C@@H]1CCN1CCCC1)C1CC1 ZINC001208683813 813793819 /nfs/dbraw/zinc/79/38/19/813793819.db2.gz MGCMFBCXEIHVSZ-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO c1ccc(C[N@H+]2C[C@H]3CCN(CCC4CC4)C[C@H]3C2)cc1 ZINC001208687399 813796579 /nfs/dbraw/zinc/79/65/79/813796579.db2.gz CPVAKLQYIJGFOT-MOPGFXCFSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2C[C@H]3CCN(CCC4CC4)C[C@H]3C2)cc1 ZINC001208687399 813796585 /nfs/dbraw/zinc/79/65/85/813796585.db2.gz CPVAKLQYIJGFOT-MOPGFXCFSA-N 1 3 284.447 3.240 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208901470 813891636 /nfs/dbraw/zinc/89/16/36/813891636.db2.gz AAIFZJYOWDLUSQ-IYBDPMFKSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208901470 813891647 /nfs/dbraw/zinc/89/16/47/813891647.db2.gz AAIFZJYOWDLUSQ-IYBDPMFKSA-N 1 3 264.457 3.230 20 0 CGADHO COCCCC[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209219265 813971023 /nfs/dbraw/zinc/97/10/23/813971023.db2.gz FQQVJFZVYPWWIS-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO COCCCC[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209219265 813971028 /nfs/dbraw/zinc/97/10/28/813971028.db2.gz FQQVJFZVYPWWIS-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO C[C@H]1CC[N@H+](CCCCCOCc2ccccc2)CCN1 ZINC001210475756 814479661 /nfs/dbraw/zinc/47/96/61/814479661.db2.gz OAURHBKNHBPUNR-KRWDZBQOSA-N 1 3 290.451 3.057 20 0 CGADHO C[C@H]1CC[N@@H+](CCCCCOCc2ccccc2)CCN1 ZINC001210475756 814479664 /nfs/dbraw/zinc/47/96/64/814479664.db2.gz OAURHBKNHBPUNR-KRWDZBQOSA-N 1 3 290.451 3.057 20 0 CGADHO c1ccn(-c2ccccc2CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222147912 816359801 /nfs/dbraw/zinc/35/98/01/816359801.db2.gz FANHKUPTIICXKW-LJQANCHMSA-N 1 3 295.430 3.053 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001222231846 816380456 /nfs/dbraw/zinc/38/04/56/816380456.db2.gz PVUXEJCWEJSQOE-YESZJQIVSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001222231846 816380463 /nfs/dbraw/zinc/38/04/63/816380463.db2.gz PVUXEJCWEJSQOE-YESZJQIVSA-N 1 3 262.441 3.197 20 0 CGADHO CC(C)(C)c1c[nH]c(CN2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001222460975 816450003 /nfs/dbraw/zinc/45/00/03/816450003.db2.gz JMVGTICCHRXHKG-UHFFFAOYSA-N 1 3 289.467 3.278 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2cncc(-c3ccccc3)c2)CC1 ZINC001222548221 816464978 /nfs/dbraw/zinc/46/49/78/816464978.db2.gz AZCLBEFXZDSMTL-UHFFFAOYSA-N 1 3 299.393 3.011 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H]3CNCC[C@H]32)c2ccccc12 ZINC001222620274 816478896 /nfs/dbraw/zinc/47/88/96/816478896.db2.gz KNANEEWZWDTULP-HNAYVOBHSA-N 1 3 280.415 3.332 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H]3CNCC[C@H]32)c2ccccc12 ZINC001222620274 816478897 /nfs/dbraw/zinc/47/88/97/816478897.db2.gz KNANEEWZWDTULP-HNAYVOBHSA-N 1 3 280.415 3.332 20 0 CGADHO C[NH2+]Cc1ccc(-c2ccc(CN(C)C3CC3)cn2)cc1 ZINC001242991888 823200679 /nfs/dbraw/zinc/20/06/79/823200679.db2.gz LOZBJRBESMFHPW-UHFFFAOYSA-N 1 3 281.403 3.062 20 0 CGADHO Cc1c(F)ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222630117 816484189 /nfs/dbraw/zinc/48/41/89/816484189.db2.gz ZBJHRHDFEWHLTJ-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232145460 818263473 /nfs/dbraw/zinc/26/34/73/818263473.db2.gz UFOPQOJHOGMTGK-ZDUSSCGKSA-N 1 3 264.388 3.262 20 0 CGADHO C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232145460 818263478 /nfs/dbraw/zinc/26/34/78/818263478.db2.gz UFOPQOJHOGMTGK-ZDUSSCGKSA-N 1 3 264.388 3.262 20 0 CGADHO Cc1cc(F)cc(Cl)c1CN1CCC2(C1)CC[NH2+]CC2 ZINC001235093596 819000007 /nfs/dbraw/zinc/00/00/07/819000007.db2.gz FOSNEXCZKBIRSW-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO CCc1cccc(C)c1C[N@@H+]1CCCC12CCNCC2 ZINC001235145273 819016073 /nfs/dbraw/zinc/01/60/73/819016073.db2.gz SLKQXLLZKWHPKH-UHFFFAOYSA-N 1 3 272.436 3.275 20 0 CGADHO CCc1cccc(C)c1C[N@H+]1CCCC12CCNCC2 ZINC001235145273 819016079 /nfs/dbraw/zinc/01/60/79/819016079.db2.gz SLKQXLLZKWHPKH-UHFFFAOYSA-N 1 3 272.436 3.275 20 0 CGADHO Fc1ccccc1CCCN1CCCCC12CC[NH2+]CC2 ZINC001235189866 819029381 /nfs/dbraw/zinc/02/93/81/819029381.db2.gz GAKIJNORCZYKPH-UHFFFAOYSA-N 1 3 290.426 3.366 20 0 CGADHO Fc1ccccc1CCC[N@@H+]1CCCCC12CCNCC2 ZINC001235189866 819029385 /nfs/dbraw/zinc/02/93/85/819029385.db2.gz GAKIJNORCZYKPH-UHFFFAOYSA-N 1 3 290.426 3.366 20 0 CGADHO Fc1ccccc1CCC[N@H+]1CCCCC12CCNCC2 ZINC001235189866 819029391 /nfs/dbraw/zinc/02/93/91/819029391.db2.gz GAKIJNORCZYKPH-UHFFFAOYSA-N 1 3 290.426 3.366 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CCCCC12CCNCC2 ZINC001235189838 819030171 /nfs/dbraw/zinc/03/01/71/819030171.db2.gz DFGIXWZRCCRZMZ-UHFFFAOYSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CCCCC12CCNCC2 ZINC001235189838 819030173 /nfs/dbraw/zinc/03/01/73/819030173.db2.gz DFGIXWZRCCRZMZ-UHFFFAOYSA-N 1 3 272.436 3.412 20 0 CGADHO CC(C)(CCN1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235241422 819046547 /nfs/dbraw/zinc/04/65/47/819046547.db2.gz UKIHJLCSWLFAIV-SJLPKXTDSA-N 1 3 272.436 3.168 20 0 CGADHO [NH3+][C@H]1[C@H]2CN(Cc3cccc4c5ccccc5sc43)C[C@@H]12 ZINC001235283886 819061469 /nfs/dbraw/zinc/06/14/69/819061469.db2.gz IGMDXVXUZMEJFB-SCAQPMJSSA-N 1 3 294.423 3.443 20 0 CGADHO CC(C)(C)CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348235 819075393 /nfs/dbraw/zinc/07/53/93/819075393.db2.gz DUXZFECBFFBHKK-SJLPKXTDSA-N 1 3 272.436 3.112 20 0 CGADHO Cc1cc(F)cc(Cl)c1CN(C)CC1CC[NH2+]CC1 ZINC001235433480 819096651 /nfs/dbraw/zinc/09/66/51/819096651.db2.gz XNWFJHJEKCEZHM-UHFFFAOYSA-N 1 3 284.806 3.219 20 0 CGADHO CN(CCC[NH3+])Cc1cccc2c3ccccc3oc21 ZINC001235435738 819100344 /nfs/dbraw/zinc/10/03/44/819100344.db2.gz XEKMSHWZWRYWTJ-UHFFFAOYSA-N 1 3 268.360 3.367 20 0 CGADHO [NH3+]C[C@H]1CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001235675121 819135443 /nfs/dbraw/zinc/13/54/43/819135443.db2.gz JCGHQGUESFMZAF-MRXNPFEDSA-N 1 3 292.426 3.429 20 0 CGADHO COc1cccc(CN(C)CCC2CC[NH2+]CC2)c1Cl ZINC001235717127 819150415 /nfs/dbraw/zinc/15/04/15/819150415.db2.gz DXGZREHILQXSRN-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO CC[N@H+](CCc1ccc(F)cc1Cl)C1CCNCC1 ZINC001235758078 819162141 /nfs/dbraw/zinc/16/21/41/819162141.db2.gz CFWUELCILULHFV-UHFFFAOYSA-N 1 3 284.806 3.096 20 0 CGADHO CC[N@@H+](CCc1ccc(F)cc1Cl)C1CCNCC1 ZINC001235758078 819162143 /nfs/dbraw/zinc/16/21/43/819162143.db2.gz CFWUELCILULHFV-UHFFFAOYSA-N 1 3 284.806 3.096 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](N)CC[C@H]1C ZINC001235907759 819217734 /nfs/dbraw/zinc/21/77/34/819217734.db2.gz UGXXNULOEPZCCJ-GDBMZVCRSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](N)CC[C@H]1C ZINC001235907759 819217739 /nfs/dbraw/zinc/21/77/39/819217739.db2.gz UGXXNULOEPZCCJ-GDBMZVCRSA-N 1 3 268.404 3.460 20 0 CGADHO CCn1ccc2c1cccc2CN(C)C[C@H]1CCC[NH2+]C1 ZINC001235951751 819241617 /nfs/dbraw/zinc/24/16/17/819241617.db2.gz SECLZFBAYURVCU-HNNXBMFYSA-N 1 3 285.435 3.093 20 0 CGADHO Cc1c(F)ccc(CN(C)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236222085 819387965 /nfs/dbraw/zinc/38/79/65/819387965.db2.gz FZYGLZNWJVLPQI-JOCQHMNTSA-N 1 3 284.806 3.489 20 0 CGADHO CC1=CC[C@@H](CC[NH+]2CCCNCCC2)C1(C)C ZINC001236240326 819400293 /nfs/dbraw/zinc/40/02/93/819400293.db2.gz OOSHRWXOGAAOOQ-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO CC[C@H](N)C[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268217 819410544 /nfs/dbraw/zinc/41/05/44/819410544.db2.gz BOSWHDDIGBQXIN-HNNXBMFYSA-N 1 3 278.465 3.122 20 0 CGADHO CC[C@H](N)C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268217 819410547 /nfs/dbraw/zinc/41/05/47/819410547.db2.gz BOSWHDDIGBQXIN-HNNXBMFYSA-N 1 3 278.465 3.122 20 0 CGADHO CCN(Cc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407969 819456806 /nfs/dbraw/zinc/45/68/06/819456806.db2.gz KQZAMEPRTYBFPA-INIZCTEOSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)(C)C[N@H+](CCc1ccccc1F)C1CCNCC1 ZINC001236453489 819484779 /nfs/dbraw/zinc/48/47/79/819484779.db2.gz CRJFQBWICLRHJH-UHFFFAOYSA-N 1 3 292.442 3.468 20 0 CGADHO CC(C)(C)C[N@@H+](CCc1ccccc1F)C1CCNCC1 ZINC001236453489 819484787 /nfs/dbraw/zinc/48/47/87/819484787.db2.gz CRJFQBWICLRHJH-UHFFFAOYSA-N 1 3 292.442 3.468 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](C[C@@H]1C[C@@H]1C)C1CCNCC1 ZINC001236518097 819511429 /nfs/dbraw/zinc/51/14/29/819511429.db2.gz PMRQVKUUMSYJPS-BBRMVZONSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](C[C@@H]1C[C@@H]1C)C1CCNCC1 ZINC001236518097 819511432 /nfs/dbraw/zinc/51/14/32/819511432.db2.gz PMRQVKUUMSYJPS-BBRMVZONSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1CN(C[C@@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236518097 819511437 /nfs/dbraw/zinc/51/14/37/819511437.db2.gz PMRQVKUUMSYJPS-BBRMVZONSA-N 1 3 290.426 3.344 20 0 CGADHO Fc1cccc(CCCN(C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584628 819545441 /nfs/dbraw/zinc/54/54/41/819545441.db2.gz MMEZAPIMAWKWIU-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1cccc(CCC[N@H+](C[C@H]2CCCNC2)C2CC2)c1 ZINC001236584628 819545445 /nfs/dbraw/zinc/54/54/45/819545445.db2.gz MMEZAPIMAWKWIU-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1cccc(CCC[N@@H+](C[C@H]2CCCNC2)C2CC2)c1 ZINC001236584628 819545450 /nfs/dbraw/zinc/54/54/50/819545450.db2.gz MMEZAPIMAWKWIU-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC001236817238 819605694 /nfs/dbraw/zinc/60/56/94/819605694.db2.gz AMUUBVUPZJYUEC-MAZHCROVSA-N 1 3 278.465 3.260 20 0 CGADHO CCCN(Cc1cc(C)cc(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236833389 819612741 /nfs/dbraw/zinc/61/27/41/819612741.db2.gz ANBJUEHCSGPIPD-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO CCCN(Cc1c(C)cccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836552 819617182 /nfs/dbraw/zinc/61/71/82/819617182.db2.gz XFPAHFPWAPRWLJ-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccccc2-n2cccc2)C1 ZINC001237080630 819661758 /nfs/dbraw/zinc/66/17/58/819661758.db2.gz HEYCVQNJWOZAHB-GOSISDBHSA-N 1 3 283.419 3.038 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1C[C@@H]([NH3+])C[C@H]1C ZINC001237203682 819698166 /nfs/dbraw/zinc/69/81/66/819698166.db2.gz KAMDJWVZXQBGFA-ZNMIVQPWSA-N 1 3 270.461 3.029 20 0 CGADHO CC[NH+](CC)Cc1ccc(-c2ccc3c(n2)CNCC3)cc1 ZINC001241576484 821962910 /nfs/dbraw/zinc/96/29/10/821962910.db2.gz WKIQBYVPBOQCRR-UHFFFAOYSA-N 1 3 295.430 3.236 20 0 CGADHO CN1CCCC[C@H]1c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001242021276 822284802 /nfs/dbraw/zinc/28/48/02/822284802.db2.gz FAKYAQJITISGGJ-RYRKJORJSA-N 1 3 283.419 3.146 20 0 CGADHO CN(C)Cc1cccc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC001242119202 822884753 /nfs/dbraw/zinc/88/47/53/822884753.db2.gz OYUFNYKZFNHOHI-UHFFFAOYSA-N 1 3 295.430 3.406 20 0 CGADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC001350637013 936997278 /nfs/dbraw/zinc/99/72/78/936997278.db2.gz VVEYHRKAHJKACR-RYRKJORJSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC001350637013 936997281 /nfs/dbraw/zinc/99/72/81/936997281.db2.gz VVEYHRKAHJKACR-RYRKJORJSA-N 1 3 272.436 3.254 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3ccc(F)cc3F)C[C@H]2C1 ZINC001352111916 937037026 /nfs/dbraw/zinc/03/70/26/937037026.db2.gz JLYVVZMMMIVCNE-JGGQBBKZSA-N 1 3 294.389 3.127 20 0 CGADHO CC[C@@H](C)[C@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001460304575 937525968 /nfs/dbraw/zinc/52/59/68/937525968.db2.gz LQXMJWPXPWSAFQ-CABCVRRESA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@@H](C)[C@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC001460304575 937525969 /nfs/dbraw/zinc/52/59/69/937525969.db2.gz LQXMJWPXPWSAFQ-CABCVRRESA-N 1 3 261.413 3.028 20 0 CGADHO C[C@H]1CN([C@@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713311 937541904 /nfs/dbraw/zinc/54/19/04/937541904.db2.gz ZCXBGNPZARWBRI-DLBZAZTESA-N 1 3 285.435 3.481 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2(C)CCCC2)CC1 ZINC001462482750 937644655 /nfs/dbraw/zinc/64/46/55/937644655.db2.gz GQEQEHQLSLCZGA-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CCCCC[C@@H]1CCCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC001307949545 933023510 /nfs/dbraw/zinc/02/35/10/933023510.db2.gz HFQBSJZRNPVNMB-SJORKVTESA-N 1 3 284.488 3.122 20 0 CGADHO CCCCC[C@@H]1CCCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001307949545 933023514 /nfs/dbraw/zinc/02/35/14/933023514.db2.gz HFQBSJZRNPVNMB-SJORKVTESA-N 1 3 284.488 3.122 20 0 CGADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCSC(C)(C)C ZINC001308089849 933045808 /nfs/dbraw/zinc/04/58/08/933045808.db2.gz OOIJGNNOYDYYTP-CQSZACIVSA-N 1 3 293.480 3.124 20 0 CGADHO CC(C)(C)[N@@H+]1CC[C@@H](NCCc2ccc(F)cc2Cl)C1 ZINC001308856912 933191456 /nfs/dbraw/zinc/19/14/56/933191456.db2.gz DDHCJSJNWLWLBN-CQSZACIVSA-N 1 3 298.833 3.484 20 0 CGADHO CC(C)(C)[N@H+]1CC[C@@H](NCCc2ccc(F)cc2Cl)C1 ZINC001308856912 933191460 /nfs/dbraw/zinc/19/14/60/933191460.db2.gz DDHCJSJNWLWLBN-CQSZACIVSA-N 1 3 298.833 3.484 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC001308882542 933196406 /nfs/dbraw/zinc/19/64/06/933196406.db2.gz JAFWYXCAZMZUCD-KBPBESRZSA-N 1 3 280.481 3.269 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001308986914 933223189 /nfs/dbraw/zinc/22/31/89/933223189.db2.gz DKDVXWKHDKNNNB-VGWMRTNUSA-N 1 3 252.446 3.275 20 0 CGADHO COc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1F ZINC001323281305 934379448 /nfs/dbraw/zinc/37/94/48/934379448.db2.gz CISYVYFRUZYZPZ-UHFFFAOYSA-N 1 3 294.414 3.139 20 0 CGADHO COc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1F ZINC001323281305 934379461 /nfs/dbraw/zinc/37/94/61/934379461.db2.gz CISYVYFRUZYZPZ-UHFFFAOYSA-N 1 3 294.414 3.139 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1Cl)CN(C)C ZINC001324787420 934566845 /nfs/dbraw/zinc/56/68/45/934566845.db2.gz FWTYGXNUWSVQAG-STQMWFEESA-N 1 3 268.832 3.058 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC001330070845 935265401 /nfs/dbraw/zinc/26/54/01/935265401.db2.gz UWQCXKNBLQTLCJ-WMLDXEAASA-N 1 3 288.435 3.091 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001330327699 935286178 /nfs/dbraw/zinc/28/61/78/935286178.db2.gz KQLGZFGZMNPPIR-LJQANCHMSA-N 1 3 295.430 3.465 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001330327699 935286182 /nfs/dbraw/zinc/28/61/82/935286182.db2.gz KQLGZFGZMNPPIR-LJQANCHMSA-N 1 3 295.430 3.465 20 0 CGADHO Cc1cnc2ccccc2c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001330593287 935299909 /nfs/dbraw/zinc/29/99/09/935299909.db2.gz XBQBTTIRGFQZBZ-GOOCMWNKSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cnc2ccccc2c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001330593287 935299915 /nfs/dbraw/zinc/29/99/15/935299915.db2.gz XBQBTTIRGFQZBZ-GOOCMWNKSA-N 1 3 281.403 3.002 20 0 CGADHO CC(C)([NH3+])CCN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC001335266337 936135757 /nfs/dbraw/zinc/13/57/57/936135757.db2.gz DYXPEAZYFWYORI-OAHLLOKOSA-N 1 3 271.408 3.262 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCN1c1ccncc1 ZINC001473760032 937820830 /nfs/dbraw/zinc/82/08/30/937820830.db2.gz VGSHPGVBOXIYHF-WCXIOVBPSA-N 1 3 285.435 3.028 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCN1c1ccncc1 ZINC001473760032 937820832 /nfs/dbraw/zinc/82/08/32/937820832.db2.gz VGSHPGVBOXIYHF-WCXIOVBPSA-N 1 3 285.435 3.028 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC001474320526 937850849 /nfs/dbraw/zinc/85/08/49/937850849.db2.gz IKYOXVIFSJHPMW-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC001474320526 937850850 /nfs/dbraw/zinc/85/08/50/937850850.db2.gz IKYOXVIFSJHPMW-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC001474320526 937850852 /nfs/dbraw/zinc/85/08/52/937850852.db2.gz IKYOXVIFSJHPMW-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC001474320526 937850854 /nfs/dbraw/zinc/85/08/54/937850854.db2.gz IKYOXVIFSJHPMW-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@H]1C[C@H]1C1CCC1 ZINC001550474536 938166786 /nfs/dbraw/zinc/16/67/86/938166786.db2.gz YHPPTLKQKJFMEV-OWSLCNJRSA-N 1 3 276.468 3.181 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H](c2ccncc2)C2CCC2)C1 ZINC001550696901 938170158 /nfs/dbraw/zinc/17/01/58/938170158.db2.gz ZKCOJTIUQONIRZ-IRXDYDNUSA-N 1 3 287.451 3.291 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@]23CCC[C@H]2OCC3)CC1 ZINC001550953121 938172955 /nfs/dbraw/zinc/17/29/55/938172955.db2.gz HWHPXGDWUIPPKV-MSOLQXFVSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)C1CC([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551238496 938178326 /nfs/dbraw/zinc/17/83/26/938178326.db2.gz WSQJEZWIKITZTE-UHFFFAOYSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CC[C@H](c2ccccc2)C1 ZINC001552414270 938192195 /nfs/dbraw/zinc/19/21/95/938192195.db2.gz MTYSIEAMUQYNKA-MXSMSXNCSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CC[C@H](c2ccccc2)C1 ZINC001552414270 938192196 /nfs/dbraw/zinc/19/21/96/938192196.db2.gz MTYSIEAMUQYNKA-MXSMSXNCSA-N 1 3 272.436 3.382 20 0 CGADHO Cc1scc(C[NH2+]CC(C)(C)CN(C)C)c1C ZINC001560248221 938249043 /nfs/dbraw/zinc/24/90/43/938249043.db2.gz GMIOGUCHHNDDLN-UHFFFAOYSA-N 1 3 254.443 3.042 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2cccc(CC3CCC3)c2)C1 ZINC001560326616 938253322 /nfs/dbraw/zinc/25/33/22/938253322.db2.gz GDMYCHKIOIGIDE-LJQANCHMSA-N 1 3 286.463 3.461 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2cccc(CC3CCC3)c2)C1 ZINC001560326616 938253323 /nfs/dbraw/zinc/25/33/23/938253323.db2.gz GDMYCHKIOIGIDE-LJQANCHMSA-N 1 3 286.463 3.461 20 0 CGADHO CC1CC[NH+](C2CCC(NCc3cnsc3)CC2)CC1 ZINC001560411520 938257284 /nfs/dbraw/zinc/25/72/84/938257284.db2.gz YHWLLSJIMQSACA-UHFFFAOYSA-N 1 3 293.480 3.276 20 0 CGADHO Cc1cc(C)c(/C=C/CNC[C@@H]2CCC[N@H+]2C)cc1C ZINC001560549788 938262717 /nfs/dbraw/zinc/26/27/17/938262717.db2.gz RKTQCMRWLJRJPQ-FZMUQLTDSA-N 1 3 272.436 3.309 20 0 CGADHO Cc1cc(C)c(/C=C/CNC[C@@H]2CCC[N@@H+]2C)cc1C ZINC001560549788 938262719 /nfs/dbraw/zinc/26/27/19/938262719.db2.gz RKTQCMRWLJRJPQ-FZMUQLTDSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814149 938277798 /nfs/dbraw/zinc/27/77/98/938277798.db2.gz QNZJIWLBXDIUHQ-SWLSCSKDSA-N 1 3 289.448 3.068 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814149 938277799 /nfs/dbraw/zinc/27/77/99/938277799.db2.gz QNZJIWLBXDIUHQ-SWLSCSKDSA-N 1 3 289.448 3.068 20 0 CGADHO CCC[C@@H](C)CC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001560989144 938288424 /nfs/dbraw/zinc/28/84/24/938288424.db2.gz RXYRGNJYSICEKZ-WWDZGPRUSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)C1CCC(C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001561034529 938290729 /nfs/dbraw/zinc/29/07/29/938290729.db2.gz UIJHJVCLRQYNGT-LEOMRAHMSA-N 1 3 278.484 3.380 20 0 CGADHO CC(C)[NH+]1CCC(n2c3ccccc3nc2[C@H](C)N)CC1 ZINC001257202036 960426893 /nfs/dbraw/zinc/42/68/93/960426893.db2.gz OWFJVKXDIMSJSL-ZDUSSCGKSA-N 1 3 286.423 3.101 20 0 CGADHO CC(C)(CC[N@@H+]1CC[C@]2(C1)CCCCN2)C1CC1 ZINC001575305545 960469960 /nfs/dbraw/zinc/46/99/60/960469960.db2.gz YCSNACIDZMRUCO-INIZCTEOSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(CC[N@H+]1CC[C@]2(C1)CCCCN2)C1CC1 ZINC001575305545 960469968 /nfs/dbraw/zinc/46/99/68/960469968.db2.gz YCSNACIDZMRUCO-INIZCTEOSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(c1ccccc1)C1(NC[C@]2(C)CC[NH2+]C2)CC1 ZINC001576518741 960476375 /nfs/dbraw/zinc/47/63/75/960476375.db2.gz GBUXXEPYDKSKKW-QGZVFWFLSA-N 1 3 272.436 3.086 20 0 CGADHO CCC1CCC(C[NH2+]Cc2nc3c(s2)CNCC3)CC1 ZINC001577246830 960479353 /nfs/dbraw/zinc/47/93/53/960479353.db2.gz SUKMPXHYTSPNFV-UHFFFAOYSA-N 1 3 293.480 3.095 20 0 CGADHO C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795562 962319262 /nfs/dbraw/zinc/31/92/62/962319262.db2.gz NJOAWZTYEKFTJJ-FUHWJXTLSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)(N)c1cc(C[N@@H+]2CCC[C@H]2CC2CCCC2)on1 ZINC001575365021 962359786 /nfs/dbraw/zinc/35/97/86/962359786.db2.gz AYVJGKQATKJODB-AWEZNQCLSA-N 1 3 291.439 3.413 20 0 CGADHO CC(C)(N)c1cc(C[N@H+]2CCC[C@H]2CC2CCCC2)on1 ZINC001575365021 962359802 /nfs/dbraw/zinc/35/98/02/962359802.db2.gz AYVJGKQATKJODB-AWEZNQCLSA-N 1 3 291.439 3.413 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN1CC(C)(C)[C@H]1c1ccccc1 ZINC001575421622 962380653 /nfs/dbraw/zinc/38/06/53/962380653.db2.gz AEIMZZBXIHJBST-JKSUJKDBSA-N 1 3 260.425 3.300 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCSc1cccc(Cl)c1 ZINC001576380221 962447025 /nfs/dbraw/zinc/44/70/25/962447025.db2.gz KLFWBRRNZWIIEV-OLZOCXBDSA-N 1 3 284.856 3.148 20 0 CGADHO CCC1([NH3+])CCN(CCc2ccc(C)c(C)c2)CC1 ZINC001577230368 962514905 /nfs/dbraw/zinc/51/49/05/962514905.db2.gz HVJFVQWGTQTOJZ-UHFFFAOYSA-N 1 3 260.425 3.049 20 0 CGADHO CCC[C@H](C)CCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001577340981 962528174 /nfs/dbraw/zinc/52/81/74/962528174.db2.gz OBBBFPPJXZLKNI-HOTGVXAUSA-N 1 3 252.446 3.278 20 0 CGADHO CCN(Cc1ccccc1C)C[C@@]1(C)CCC[NH2+]C1 ZINC001577740078 962565820 /nfs/dbraw/zinc/56/58/20/962565820.db2.gz DOLZWVVLKLDHLF-KRWDZBQOSA-N 1 3 260.425 3.207 20 0 CGADHO COc1ccc([C@@H](CN)C[NH+]2C3CCCC2CCC3)cc1 ZINC001579193527 962610285 /nfs/dbraw/zinc/61/02/85/962610285.db2.gz FTQMRAWXMWVYHY-GTPINHCMSA-N 1 3 288.435 3.145 20 0 CGADHO COCC[C@H]1CCC[C@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000337391929 214049384 /nfs/dbraw/zinc/04/93/84/214049384.db2.gz AWHXPAQPCGEQPU-IAGOWNOFSA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC12CCC2)CN1CCCC1 ZINC000337393744 214051068 /nfs/dbraw/zinc/05/10/68/214051068.db2.gz BIDRMXKHFCBOGO-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO CCCc1ccc(C[NH2+]CCCN2CCCC2)s1 ZINC000621326371 349496218 /nfs/dbraw/zinc/49/62/18/349496218.db2.gz GNTRYWZJRIKAQP-UHFFFAOYSA-N 1 3 266.454 3.276 20 0 CGADHO CCC[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187715261 260163269 /nfs/dbraw/zinc/16/32/69/260163269.db2.gz GYCQMIXVMRDTKK-SQWLQELKSA-N 1 3 250.430 3.124 20 0 CGADHO CCC[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187715261 260163270 /nfs/dbraw/zinc/16/32/70/260163270.db2.gz GYCQMIXVMRDTKK-SQWLQELKSA-N 1 3 250.430 3.124 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccccc1F ZINC000125278735 187177531 /nfs/dbraw/zinc/17/75/31/187177531.db2.gz DQBCQNQSKLHIJX-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H]1CCCN(Cc2cncc(Cl)c2)[C@@H]1CCC[NH3+] ZINC000621776729 349585694 /nfs/dbraw/zinc/58/56/94/349585694.db2.gz UPXXZYWHCHLLIR-IUODEOHRSA-N 1 3 281.831 3.074 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000622045724 349623304 /nfs/dbraw/zinc/62/33/04/349623304.db2.gz RGLJSLLDLBSEPE-OTRWWLKZSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H](C)Cc1cccs1 ZINC000651866039 398298631 /nfs/dbraw/zinc/29/86/31/398298631.db2.gz RPKUTTYGKOXOTO-AWEZNQCLSA-N 1 3 268.470 3.247 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)Cc1cccs1 ZINC000651866039 398298633 /nfs/dbraw/zinc/29/86/33/398298633.db2.gz RPKUTTYGKOXOTO-AWEZNQCLSA-N 1 3 268.470 3.247 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000651911789 398306512 /nfs/dbraw/zinc/30/65/12/398306512.db2.gz ZPQCHZNLGVHWGT-WMLDXEAASA-N 1 3 287.451 3.465 20 0 CGADHO CCC(CC)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000409445267 282163154 /nfs/dbraw/zinc/16/31/54/282163154.db2.gz JSXMJOFBUASYOX-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CCC(CC)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000409445267 282163160 /nfs/dbraw/zinc/16/31/60/282163160.db2.gz JSXMJOFBUASYOX-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367808 529430834 /nfs/dbraw/zinc/43/08/34/529430834.db2.gz YWYKULKMGDJZHN-LJQANCHMSA-N 1 3 280.415 3.401 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248823445 282194699 /nfs/dbraw/zinc/19/46/99/282194699.db2.gz FLFZYJJZGRGULT-DAYGRLMNSA-N 1 3 287.451 3.396 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000414059458 529626630 /nfs/dbraw/zinc/62/66/30/529626630.db2.gz IPZSJNZRJQRWTR-XKQJLSEDSA-N 1 3 260.425 3.272 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000423359943 529670738 /nfs/dbraw/zinc/67/07/38/529670738.db2.gz DROKZTMVKHFJBF-KKUMJFAQSA-N 1 3 250.361 3.136 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623384763 349796093 /nfs/dbraw/zinc/79/60/93/349796093.db2.gz ISECSAVBPBACQR-AWEZNQCLSA-N 1 3 296.842 3.170 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000591582302 346929863 /nfs/dbraw/zinc/92/98/63/346929863.db2.gz FTUKZRUDTMUYKY-NRXISQOPSA-N 1 3 282.497 3.173 20 0 CGADHO C[N@@H+]1CC[C@H](NCCOC2CCCCCC2)CC1(C)C ZINC000623424531 349804386 /nfs/dbraw/zinc/80/43/86/349804386.db2.gz WTPMNQQERAUEOS-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@H+]1CC[C@H](NCCOC2CCCCCC2)CC1(C)C ZINC000623424531 349804389 /nfs/dbraw/zinc/80/43/89/349804389.db2.gz WTPMNQQERAUEOS-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@@H+]1CC[C@@H](NCC2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427699 349805210 /nfs/dbraw/zinc/80/52/10/349805210.db2.gz JNHHHEPCIJADKX-MRXNPFEDSA-N 1 3 290.426 3.320 20 0 CGADHO C[N@H+]1CC[C@@H](NCC2(c3cccc(F)c3)CC2)CC1(C)C ZINC000623427699 349805211 /nfs/dbraw/zinc/80/52/11/349805211.db2.gz JNHHHEPCIJADKX-MRXNPFEDSA-N 1 3 290.426 3.320 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362922579 282258564 /nfs/dbraw/zinc/25/85/64/282258564.db2.gz DSOSVLXTUYWPLG-CABCVRRESA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccc2cc(C[NH2+]C[C@H]3CCCCN(C)C3)ccc2n1 ZINC000623657608 349859759 /nfs/dbraw/zinc/85/97/59/349859759.db2.gz VKDYKWCWQLXQIS-QGZVFWFLSA-N 1 3 297.446 3.365 20 0 CGADHO CCc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623655176 349856994 /nfs/dbraw/zinc/85/69/94/349856994.db2.gz QIRUROLDZIABTI-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCN(C)C ZINC000623849848 349895468 /nfs/dbraw/zinc/89/54/68/349895468.db2.gz PZYSMPXEYGUKIN-GFCCVEGCSA-N 1 3 299.256 3.360 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480236056 534959043 /nfs/dbraw/zinc/95/90/43/534959043.db2.gz YNWITRCBWYYMKJ-CHWSQXEVSA-N 1 3 280.378 3.429 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000351577753 219132099 /nfs/dbraw/zinc/13/20/99/219132099.db2.gz FVUDUQLYABQCAM-QZTJIDSGSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1ccncc1 ZINC000351577753 219132100 /nfs/dbraw/zinc/13/21/00/219132100.db2.gz FVUDUQLYABQCAM-QZTJIDSGSA-N 1 3 289.467 3.114 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000423270325 529986049 /nfs/dbraw/zinc/98/60/49/529986049.db2.gz HSKKBSGTSLCSMC-WBVHZDCISA-N 1 3 262.441 3.089 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040621659 344963973 /nfs/dbraw/zinc/96/39/73/344963973.db2.gz LEFLQAALBPKWLU-DOTOQJQBSA-N 1 3 290.451 3.033 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000044534847 345012934 /nfs/dbraw/zinc/01/29/34/345012934.db2.gz ZWEVSYUYKZRIKU-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534847 345012936 /nfs/dbraw/zinc/01/29/36/345012936.db2.gz ZWEVSYUYKZRIKU-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO c1cc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000086252206 345749350 /nfs/dbraw/zinc/74/93/50/345749350.db2.gz WLGJHLAJKMFZJY-SFHVURJKSA-N 1 3 283.419 3.017 20 0 CGADHO c1cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000086252206 345749353 /nfs/dbraw/zinc/74/93/53/345749353.db2.gz WLGJHLAJKMFZJY-SFHVURJKSA-N 1 3 283.419 3.017 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081630106 345716239 /nfs/dbraw/zinc/71/62/39/345716239.db2.gz DMHIREVKWLFHPC-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000081630106 345716240 /nfs/dbraw/zinc/71/62/40/345716240.db2.gz DMHIREVKWLFHPC-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081637004 345716431 /nfs/dbraw/zinc/71/64/31/345716431.db2.gz OVQQFLWKHBTETD-HYVNUMGLSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000084469014 345734575 /nfs/dbraw/zinc/73/45/75/345734575.db2.gz LJDUGUHUCAMLPH-KFWWJZLASA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H]1CC([NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000090966331 345798921 /nfs/dbraw/zinc/79/89/21/345798921.db2.gz MIEMMCYKIHXERS-GJZGRUSLSA-N 1 3 294.483 3.329 20 0 CGADHO COC[C@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000173896961 232290801 /nfs/dbraw/zinc/29/08/01/232290801.db2.gz QOIKSQZERORKMR-INIZCTEOSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250483819 346385464 /nfs/dbraw/zinc/38/54/64/346385464.db2.gz DGUVWTDCVYPGQM-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250487099 346385606 /nfs/dbraw/zinc/38/56/06/346385606.db2.gz FDHQRQKVQQUVGN-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CC1(C)CCN(C/C=C\C[N@@H+]2CCC(C)(C)C2)C1 ZINC000255472868 346397268 /nfs/dbraw/zinc/39/72/68/346397268.db2.gz WVTUVRXIELCZJR-WAYWQWQTSA-N 1 3 250.430 3.006 20 0 CGADHO CC1(C)CCN(C/C=C\C[N@H+]2CCC(C)(C)C2)C1 ZINC000255472868 346397270 /nfs/dbraw/zinc/39/72/70/346397270.db2.gz WVTUVRXIELCZJR-WAYWQWQTSA-N 1 3 250.430 3.006 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC1CC1 ZINC000253055811 346393328 /nfs/dbraw/zinc/39/33/28/346393328.db2.gz ALFPNCSLTMLMDU-BZUAXINKSA-N 1 3 250.430 3.077 20 0 CGADHO c1c(CNC2CC[NH+](C3CC3)CC2)sc2c1CCCC2 ZINC000584575551 346684408 /nfs/dbraw/zinc/68/44/08/346684408.db2.gz DOMZENQJJDRSEQ-UHFFFAOYSA-N 1 3 290.476 3.343 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1cncc(F)c1 ZINC000293056776 232599839 /nfs/dbraw/zinc/59/98/39/232599839.db2.gz RZHUCJPZTGJMRB-CQSZACIVSA-N 1 3 279.403 3.137 20 0 CGADHO CSCC1(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000596648937 347497679 /nfs/dbraw/zinc/49/76/79/347497679.db2.gz BNPIWRKEGZMYSJ-GJZGRUSLSA-N 1 3 276.449 3.254 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000624120512 349976572 /nfs/dbraw/zinc/97/65/72/349976572.db2.gz ARZFANWWCQXBEE-MRXNPFEDSA-N 1 3 294.483 3.047 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120982 349979203 /nfs/dbraw/zinc/97/92/03/349979203.db2.gz LGUIHJUJKZGMNS-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120982 349979206 /nfs/dbraw/zinc/97/92/06/349979206.db2.gz LGUIHJUJKZGMNS-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000624122110 349979879 /nfs/dbraw/zinc/97/98/79/349979879.db2.gz JXVHOIUWXXTTRB-RDJZCZTQSA-N 1 3 288.435 3.222 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122134 349979903 /nfs/dbraw/zinc/97/99/03/349979903.db2.gz KMHHNGCTFATZLI-PMPSAXMXSA-N 1 3 252.446 3.133 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)CCCCC1 ZINC000624123401 349983062 /nfs/dbraw/zinc/98/30/62/349983062.db2.gz LESDYAQXJDNZLA-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](C)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000339409418 215151438 /nfs/dbraw/zinc/15/14/38/215151438.db2.gz MFDBWHBIEZVGAN-RDJZCZTQSA-N 1 3 275.440 3.072 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000624123504 349982772 /nfs/dbraw/zinc/98/27/72/349982772.db2.gz NGPXTNISSIOAME-LVQVYYBASA-N 1 3 264.457 3.133 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cs1 ZINC000624123235 349982875 /nfs/dbraw/zinc/98/28/75/349982875.db2.gz IHQSVDGZAAKHKE-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO CCO[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000625318628 350158245 /nfs/dbraw/zinc/15/82/45/350158245.db2.gz FTCKQPFTYQCALJ-QGPMSJSTSA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000625318628 350158249 /nfs/dbraw/zinc/15/82/49/350158249.db2.gz FTCKQPFTYQCALJ-QGPMSJSTSA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318628 350158251 /nfs/dbraw/zinc/15/82/51/350158251.db2.gz FTCKQPFTYQCALJ-QGPMSJSTSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1CCCN(C[C@H]2C[C@H]2C)CC1 ZINC000625271030 350150992 /nfs/dbraw/zinc/15/09/92/350150992.db2.gz UPNBVXMQXSJIBS-UUAJXVIYSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@H]1C[N@H+](C)[C@H]1CCCN(C[C@H]2C[C@H]2C)CC1 ZINC000625271030 350150996 /nfs/dbraw/zinc/15/09/96/350150996.db2.gz UPNBVXMQXSJIBS-UUAJXVIYSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCCC1 ZINC000359623281 233347930 /nfs/dbraw/zinc/34/79/30/233347930.db2.gz UPNBSPXYHRKCJC-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000626063003 350254946 /nfs/dbraw/zinc/25/49/46/350254946.db2.gz NZJXFNSIFLZROT-QAPCUYQASA-N 1 3 290.451 3.138 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628204607 350439058 /nfs/dbraw/zinc/43/90/58/350439058.db2.gz FRWJAKDSQNWIPR-HOTGVXAUSA-N 1 3 260.425 3.030 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1ccc(Cl)c(OC)c1 ZINC000628279507 350475575 /nfs/dbraw/zinc/47/55/75/350475575.db2.gz NGAOVKOAJDUQON-UHFFFAOYSA-N 1 3 284.831 3.122 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1ccc(Cl)c(OC)c1 ZINC000628279507 350475577 /nfs/dbraw/zinc/47/55/77/350475577.db2.gz NGAOVKOAJDUQON-UHFFFAOYSA-N 1 3 284.831 3.122 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)Cc1ccccc1 ZINC000628425377 350535881 /nfs/dbraw/zinc/53/58/81/350535881.db2.gz IYOAVKWDZRCRAM-FUHWJXTLSA-N 1 3 274.452 3.187 20 0 CGADHO CSc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222939200 571890275 /nfs/dbraw/zinc/89/02/75/571890275.db2.gz GGXUGXYDTGTVSD-MRVWCRGKSA-N 1 3 264.438 3.329 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CC[C@@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542671 350708256 /nfs/dbraw/zinc/70/82/56/350708256.db2.gz INYQOLHNTMSZPV-UBDQQSCGSA-N 1 3 272.436 3.128 20 0 CGADHO CC[C@H](c1ccccc1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585330 350714637 /nfs/dbraw/zinc/71/46/37/350714637.db2.gz RPHRUVAARLUKMJ-ZACQAIPSSA-N 1 3 258.409 3.069 20 0 CGADHO CC(C)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631196164 350987354 /nfs/dbraw/zinc/98/73/54/350987354.db2.gz NYIQOOKZDFELQC-NVXWUHKLSA-N 1 3 260.425 3.000 20 0 CGADHO C[C@H](NCC(C)(C)F)c1cccc(OCC[NH+](C)C)c1 ZINC000631660776 351109099 /nfs/dbraw/zinc/10/90/99/351109099.db2.gz YNNUREZIUWVJFK-ZDUSSCGKSA-N 1 3 282.403 3.026 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H](CO)C2)CC1 ZINC000631674825 351116804 /nfs/dbraw/zinc/11/68/04/351116804.db2.gz YONQLWDFPUSIIP-FZNQNYSPSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631674825 351116807 /nfs/dbraw/zinc/11/68/07/351116807.db2.gz YONQLWDFPUSIIP-FZNQNYSPSA-N 1 3 296.499 3.026 20 0 CGADHO CC[C@H]([NH2+][C@H](C)CCN(C)C)c1cccc(OC)c1OC ZINC000631575485 351073376 /nfs/dbraw/zinc/07/33/76/351073376.db2.gz GEFYRKMFJBVANI-HIFRSBDPSA-N 1 3 294.439 3.085 20 0 CGADHO c1cnc2cccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2c1 ZINC000634687940 351574115 /nfs/dbraw/zinc/57/41/15/351574115.db2.gz DEPLHYPUFIFZMP-HNAYVOBHSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733330 351578391 /nfs/dbraw/zinc/57/83/91/351578391.db2.gz CTTSOIHVWUHUTJ-CJNGLKHVSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733330 351578396 /nfs/dbraw/zinc/57/83/96/351578396.db2.gz CTTSOIHVWUHUTJ-CJNGLKHVSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)c1ccc(F)cc1 ZINC000634733947 351579694 /nfs/dbraw/zinc/57/96/94/351579694.db2.gz SIKSXXQUDHFPPA-CZUORRHYSA-N 1 3 278.415 3.297 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634734148 351579720 /nfs/dbraw/zinc/57/97/20/351579720.db2.gz YEOXLYLYRDGFEM-GHMZBOCLSA-N 1 3 266.351 3.085 20 0 CGADHO CC(C)[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009519 351627373 /nfs/dbraw/zinc/62/73/73/351627373.db2.gz VULFHJOYKNRMBM-RBUKOAKNSA-N 1 3 297.446 3.328 20 0 CGADHO CCC[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009917 351628275 /nfs/dbraw/zinc/62/82/75/351628275.db2.gz XERXZXHEWCOCSU-MOPGFXCFSA-N 1 3 297.446 3.473 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000635011846 351629843 /nfs/dbraw/zinc/62/98/43/351629843.db2.gz PNQZQJINXUYDPE-KKUMJFAQSA-N 1 3 270.436 3.273 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000122064048 187013529 /nfs/dbraw/zinc/01/35/29/187013529.db2.gz GJTUWMCTIOIEJT-BBWFWOEESA-N 1 3 294.483 3.043 20 0 CGADHO C[NH+](C)CCCC1CCN(Cc2cccc(F)c2)CC1 ZINC000123453780 187092780 /nfs/dbraw/zinc/09/27/80/187092780.db2.gz WIUCQMBWHINBDY-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)cc1F ZINC000152438029 188018529 /nfs/dbraw/zinc/01/85/29/188018529.db2.gz VMMJQDNUKJNBQX-SJKOYZFVSA-N 1 3 294.389 3.490 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccncc2)c1 ZINC000156610723 188271860 /nfs/dbraw/zinc/27/18/60/188271860.db2.gz YKHQWEHNMZDBBI-HNNXBMFYSA-N 1 3 283.419 3.384 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccncc2)c1 ZINC000156610723 188271861 /nfs/dbraw/zinc/27/18/61/188271861.db2.gz YKHQWEHNMZDBBI-HNNXBMFYSA-N 1 3 283.419 3.384 20 0 CGADHO CN(CCCC[N@H+](C)Cc1ccco1)Cc1ccco1 ZINC000157331663 188310838 /nfs/dbraw/zinc/31/08/38/188310838.db2.gz QIPSGUYKGYDZNN-UHFFFAOYSA-N 1 3 276.380 3.217 20 0 CGADHO CN(CCCC[N@@H+](C)Cc1ccco1)Cc1ccco1 ZINC000157331663 188310840 /nfs/dbraw/zinc/31/08/40/188310840.db2.gz QIPSGUYKGYDZNN-UHFFFAOYSA-N 1 3 276.380 3.217 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000271818917 191346320 /nfs/dbraw/zinc/34/63/20/191346320.db2.gz BYYSOSQIFRUXLO-JTQLQIEISA-N 1 3 284.325 3.016 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000271818917 191346323 /nfs/dbraw/zinc/34/63/23/191346323.db2.gz BYYSOSQIFRUXLO-JTQLQIEISA-N 1 3 284.325 3.016 20 0 CGADHO Cc1cc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)oc1C ZINC000414192584 235359865 /nfs/dbraw/zinc/35/98/65/235359865.db2.gz SLWCDXLQRCTXHA-ZFWWWQNUSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192584 235359866 /nfs/dbraw/zinc/35/98/66/235359866.db2.gz SLWCDXLQRCTXHA-ZFWWWQNUSA-N 1 3 264.413 3.279 20 0 CGADHO COc1ccsc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414201910 235362603 /nfs/dbraw/zinc/36/26/03/235362603.db2.gz YIYNZRZQOVEGMC-OLZOCXBDSA-N 1 3 282.453 3.139 20 0 CGADHO COc1ccsc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201910 235362605 /nfs/dbraw/zinc/36/26/05/235362605.db2.gz YIYNZRZQOVEGMC-OLZOCXBDSA-N 1 3 282.453 3.139 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOC1CCCCC1 ZINC000093516527 138347232 /nfs/dbraw/zinc/34/72/32/138347232.db2.gz XBFFRHFQFJZNGZ-CVEARBPZSA-N 1 3 282.472 3.236 20 0 CGADHO CC(C)Oc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000110645382 138363337 /nfs/dbraw/zinc/36/33/37/138363337.db2.gz ZPYRYOKESVQLFR-CQSZACIVSA-N 1 3 276.424 3.033 20 0 CGADHO Cc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000110978839 138363626 /nfs/dbraw/zinc/36/36/26/138363626.db2.gz KLSXPPHZMUYLFR-QGZVFWFLSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cccc(CC[NH2+]CCCN2CCCCC2)c1 ZINC000124342807 138374296 /nfs/dbraw/zinc/37/42/96/138374296.db2.gz BOGFKVCKQZTMIV-UHFFFAOYSA-N 1 3 260.425 3.003 20 0 CGADHO Cc1cccc(CCNCCC[NH+]2CCCCC2)c1 ZINC000124342807 138374298 /nfs/dbraw/zinc/37/42/98/138374298.db2.gz BOGFKVCKQZTMIV-UHFFFAOYSA-N 1 3 260.425 3.003 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](Cc1ccccc1)C1CC1 ZINC000124824103 138378172 /nfs/dbraw/zinc/37/81/72/138378172.db2.gz SXWMYIHWSWZMPX-INIZCTEOSA-N 1 3 258.409 3.135 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000124824103 138378173 /nfs/dbraw/zinc/37/81/73/138378173.db2.gz SXWMYIHWSWZMPX-INIZCTEOSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000423228441 236003796 /nfs/dbraw/zinc/00/37/96/236003796.db2.gz ZQGLAWXLRXKWMT-YJBOKZPZSA-N 1 3 268.404 3.297 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CCC[C@H]1C[NH3+] ZINC000423279244 236019872 /nfs/dbraw/zinc/01/98/72/236019872.db2.gz RXLBQGJHDHEPJX-ZLIFDBKOSA-N 1 3 288.435 3.135 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423300634 236030693 /nfs/dbraw/zinc/03/06/93/236030693.db2.gz DPHCIURAUYITGQ-YGRLFVJLSA-N 1 3 286.341 3.341 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)[C@@H]1C[C@H]1c1ccccc1 ZINC000423268825 236015258 /nfs/dbraw/zinc/01/52/58/236015258.db2.gz FCAZRZPIYDJDQM-HILJTLORSA-N 1 3 272.436 3.286 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423274356 236017470 /nfs/dbraw/zinc/01/74/70/236017470.db2.gz KDVOYPKGKANIDQ-IGCXYCKISA-N 1 3 296.405 3.393 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423312007 236034737 /nfs/dbraw/zinc/03/47/37/236034737.db2.gz CJOHEESTIGDACI-NUEKZKHPSA-N 1 3 278.827 3.303 20 0 CGADHO N[C@@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313916 236035036 /nfs/dbraw/zinc/03/50/36/236035036.db2.gz GJFIKCVXSAMHNA-RBUKOAKNSA-N 1 3 298.405 3.436 20 0 CGADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423320560 236037057 /nfs/dbraw/zinc/03/70/57/236037057.db2.gz FOHUNTVEIMAXTA-NSHDSACASA-N 1 3 268.351 3.005 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCNC2)c(C)c1 ZINC000423321499 236038029 /nfs/dbraw/zinc/03/80/29/236038029.db2.gz GFUSCZULWBYZBT-RDJZCZTQSA-N 1 3 260.425 3.344 20 0 CGADHO Fc1ccc([C@@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423347376 236045856 /nfs/dbraw/zinc/04/58/56/236045856.db2.gz QGYFRQONRYJPNJ-IBGZPJMESA-N 1 3 296.389 3.424 20 0 CGADHO Cc1ccc([C@H](NC[C@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000423346776 236046335 /nfs/dbraw/zinc/04/63/35/236046335.db2.gz QESWSXRSBGZBHU-ZWKOTPCHSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@]2(C)CCCNC2)C2CC2)cc1 ZINC000423346776 236046337 /nfs/dbraw/zinc/04/63/37/236046337.db2.gz QESWSXRSBGZBHU-ZWKOTPCHSA-N 1 3 272.436 3.425 20 0 CGADHO c1ccc2c(c1)OCCC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423389785 236059912 /nfs/dbraw/zinc/05/99/12/236059912.db2.gz OJMWMWIGZMRPOR-GOSISDBHSA-N 1 3 294.398 3.293 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423392636 236061501 /nfs/dbraw/zinc/06/15/01/236061501.db2.gz XXAZFRZQFFHLSY-UMVBOHGHSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423392636 236061504 /nfs/dbraw/zinc/06/15/04/236061504.db2.gz XXAZFRZQFFHLSY-UMVBOHGHSA-N 1 3 272.392 3.094 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000423395135 236062091 /nfs/dbraw/zinc/06/20/91/236062091.db2.gz RSDVZHYLXYDXEC-NRSFXHEJSA-N 1 3 288.435 3.014 20 0 CGADHO COCCC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(F)cc1 ZINC000423370924 236053391 /nfs/dbraw/zinc/05/33/91/236053391.db2.gz DZOPRSOEUOMKLS-XYPHTWIQSA-N 1 3 294.414 3.024 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000423377795 236055401 /nfs/dbraw/zinc/05/54/01/236055401.db2.gz KJJZGRVELFXPFC-WCXIOVBPSA-N 1 3 287.451 3.146 20 0 CGADHO Clc1ccc([C@@H]2CCC[C@@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423442560 236072180 /nfs/dbraw/zinc/07/21/80/236072180.db2.gz ZESNANBIKANMAH-MNLARUNXSA-N 1 3 290.838 3.174 20 0 CGADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000423474465 236080078 /nfs/dbraw/zinc/08/00/78/236080078.db2.gz HJQYPSRTRIHMNT-WCQYABFASA-N 1 3 268.351 3.148 20 0 CGADHO CCn1cc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423511549 236091399 /nfs/dbraw/zinc/09/13/99/236091399.db2.gz UDFRRKXRLVWJQN-WMLDXEAASA-N 1 3 286.423 3.034 20 0 CGADHO C[C@H]1CC2(CN1Cc1c(F)cccc1Cl)CC[NH2+]CC2 ZINC000424301169 236144254 /nfs/dbraw/zinc/14/42/54/236144254.db2.gz XIQSYQVCCSQBKW-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1c(F)cccc1F)CN(C)C ZINC000425915111 236273247 /nfs/dbraw/zinc/27/32/47/236273247.db2.gz CRZPMZZEDCPJJV-CHWSQXEVSA-N 1 3 284.394 3.073 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)Cc1cccc(Cl)c1)C1CNC1 ZINC000422869857 299276860 /nfs/dbraw/zinc/27/68/60/299276860.db2.gz AUXWJHAXFCBURS-LBPRGKRZSA-N 1 3 280.843 3.106 20 0 CGADHO C[C@H](NCC(C)(C)Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422869857 299276863 /nfs/dbraw/zinc/27/68/63/299276863.db2.gz AUXWJHAXFCBURS-LBPRGKRZSA-N 1 3 280.843 3.106 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCSc2ccc(F)cc21 ZINC000227131118 283479390 /nfs/dbraw/zinc/47/93/90/283479390.db2.gz XEUQCHLLNOBGMD-LEWSCRJBSA-N 1 3 280.412 3.080 20 0 CGADHO C[C@@H](NCC1CC[NH2+]CC1)c1c(F)cccc1Cl ZINC000297470357 200202513 /nfs/dbraw/zinc/20/25/13/200202513.db2.gz RKOIIZPOMUSRJG-SNVBAGLBSA-N 1 3 270.779 3.129 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1csc(C)c1 ZINC000297603638 200239139 /nfs/dbraw/zinc/23/91/39/200239139.db2.gz ICLGNVFQAVLIKX-HIFRSBDPSA-N 1 3 284.469 3.064 20 0 CGADHO C[C@H]([NH2+]CCCCCF)[C@H]1CCCN(C2CCC2)C1 ZINC000341906985 216147257 /nfs/dbraw/zinc/14/72/57/216147257.db2.gz VUNXXJQSNOMTHD-GJZGRUSLSA-N 1 3 270.436 3.369 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2ccc(Cl)s2)[C@H](C)C1 ZINC000177892275 189077374 /nfs/dbraw/zinc/07/73/74/189077374.db2.gz MTMKKPAJVSBCBM-YPMHNXCESA-N 1 3 286.872 3.264 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2ccc(Cl)s2)[C@H](C)C1 ZINC000177892275 189077375 /nfs/dbraw/zinc/07/73/75/189077375.db2.gz MTMKKPAJVSBCBM-YPMHNXCESA-N 1 3 286.872 3.264 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000179633566 189209260 /nfs/dbraw/zinc/20/92/60/189209260.db2.gz COHGPRHRVQKCIA-KRWDZBQOSA-N 1 3 295.430 3.132 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000179633566 189209261 /nfs/dbraw/zinc/20/92/61/189209261.db2.gz COHGPRHRVQKCIA-KRWDZBQOSA-N 1 3 295.430 3.132 20 0 CGADHO CCOc1cccc2cc([C@@H](C)[NH2+]CCCN(C)C)oc21 ZINC000181392802 189295737 /nfs/dbraw/zinc/29/57/37/189295737.db2.gz ILVNQCHACOGCIG-CYBMUJFWSA-N 1 3 290.407 3.434 20 0 CGADHO CC[NH+](CC)CCNc1ccnc2ccc(C)cc21 ZINC000302158571 201372523 /nfs/dbraw/zinc/37/25/23/201372523.db2.gz NWUGHLTWTCXNJE-UHFFFAOYSA-N 1 3 257.381 3.297 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449409951 239391964 /nfs/dbraw/zinc/39/19/64/239391964.db2.gz WTSHQJWAROBIDT-NUJGCVRESA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc2cccnc21 ZINC000120511272 370775688 /nfs/dbraw/zinc/77/56/88/370775688.db2.gz FLPFIKSVYYIZOP-CPUCHLNUSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc2cccnc21 ZINC000120511272 370775696 /nfs/dbraw/zinc/77/56/96/370775696.db2.gz FLPFIKSVYYIZOP-CPUCHLNUSA-N 1 3 283.419 3.053 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@H]1C[C@H]1C ZINC000414110705 299343273 /nfs/dbraw/zinc/34/32/73/299343273.db2.gz OLZPIANWKMJYQD-HNLJFRNMSA-N 1 3 264.457 3.274 20 0 CGADHO CN1CCC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000459356458 242088855 /nfs/dbraw/zinc/08/88/55/242088855.db2.gz KTCUSYZOLFTIDE-CADBVGFASA-N 1 3 284.447 3.206 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000459356458 242088869 /nfs/dbraw/zinc/08/88/69/242088869.db2.gz KTCUSYZOLFTIDE-CADBVGFASA-N 1 3 284.447 3.206 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000459742376 242203263 /nfs/dbraw/zinc/20/32/63/242203263.db2.gz VYEQNGIKYJSUGQ-IJEWVQPXSA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459742376 242203268 /nfs/dbraw/zinc/20/32/68/242203268.db2.gz VYEQNGIKYJSUGQ-IJEWVQPXSA-N 1 3 276.424 3.225 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000478045603 243067238 /nfs/dbraw/zinc/06/72/38/243067238.db2.gz WQALAOJUEDEXLV-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000478045603 243067240 /nfs/dbraw/zinc/06/72/40/243067240.db2.gz WQALAOJUEDEXLV-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000479549740 243110563 /nfs/dbraw/zinc/11/05/63/243110563.db2.gz ACVKNXFFZVQPSH-OAHLLOKOSA-N 1 3 285.435 3.216 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc2c(s1)CCCC2 ZINC000423399067 299388131 /nfs/dbraw/zinc/38/81/31/299388131.db2.gz PIMUVBUGNGUZRE-MBNYWOFBSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]CC1CCCCC1 ZINC000019912975 368781661 /nfs/dbraw/zinc/78/16/61/368781661.db2.gz BDDZRRSFAOLJMF-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC ZINC000036995106 369047506 /nfs/dbraw/zinc/04/75/06/369047506.db2.gz UERCZFWDJUZPET-UCMJJCQDSA-N 1 3 288.435 3.361 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000037149917 369069676 /nfs/dbraw/zinc/06/96/76/369069676.db2.gz BBBGAHAFLXDLSQ-UHFFFAOYSA-N 1 3 264.388 3.180 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000037644210 369095294 /nfs/dbraw/zinc/09/52/94/369095294.db2.gz FODKIXACEAEKKB-JSGCOSHPSA-N 1 3 266.454 3.357 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649226 369097061 /nfs/dbraw/zinc/09/70/61/369097061.db2.gz SYESUSDOPHKDRA-NEPJUHHUSA-N 1 3 280.362 3.100 20 0 CGADHO [NH3+]CCCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000037714790 369101001 /nfs/dbraw/zinc/10/10/01/369101001.db2.gz PGHCEOUVNBBOTO-KRWDZBQOSA-N 1 3 272.367 3.244 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC000037067414 369057129 /nfs/dbraw/zinc/05/71/29/369057129.db2.gz IGJDLVUFFUPHSY-YCXXCVGLSA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000037067414 369057133 /nfs/dbraw/zinc/05/71/33/369057133.db2.gz IGJDLVUFFUPHSY-YCXXCVGLSA-N 1 3 288.435 3.361 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000037997516 369136160 /nfs/dbraw/zinc/13/61/60/369136160.db2.gz YNAMMDKFPNJQHU-INIZCTEOSA-N 1 3 260.425 3.207 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000041631617 369193725 /nfs/dbraw/zinc/19/37/25/369193725.db2.gz HFHGDZLDQSYRBX-CHWSQXEVSA-N 1 3 278.465 3.445 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631617 369193730 /nfs/dbraw/zinc/19/37/30/369193730.db2.gz HFHGDZLDQSYRBX-CHWSQXEVSA-N 1 3 278.465 3.445 20 0 CGADHO C[NH+](C)CCCCNCc1ccccc1OC(F)(F)F ZINC000045598291 369281764 /nfs/dbraw/zinc/28/17/64/369281764.db2.gz NOGRMQMXLNZSEY-UHFFFAOYSA-N 1 3 290.329 3.017 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@@H]1C ZINC000495042401 244349876 /nfs/dbraw/zinc/34/98/76/244349876.db2.gz WNABWFWFWNDBRQ-CPUCHLNUSA-N 1 3 264.457 3.418 20 0 CGADHO CCOc1cccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197300 369643586 /nfs/dbraw/zinc/64/35/86/369643586.db2.gz DTEVYMDTZLXMBC-GOSISDBHSA-N 1 3 288.435 3.049 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc2ccccc21 ZINC000089150540 370038273 /nfs/dbraw/zinc/03/82/73/370038273.db2.gz YZKMVQDGKIYLDU-YOEHRIQHSA-N 1 3 254.377 3.057 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089150540 370038277 /nfs/dbraw/zinc/03/82/77/370038277.db2.gz YZKMVQDGKIYLDU-YOEHRIQHSA-N 1 3 254.377 3.057 20 0 CGADHO CCC1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000090219610 370059164 /nfs/dbraw/zinc/05/91/64/370059164.db2.gz FVHUXKHEENYQSI-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000423369930 296156612 /nfs/dbraw/zinc/15/66/12/296156612.db2.gz CSKIJTFZCIWYGY-KPHYFBGPSA-N 1 3 292.389 3.474 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)Cc2cccc(Cl)c2)C1 ZINC000104095750 370336759 /nfs/dbraw/zinc/33/67/59/370336759.db2.gz CWUFJEXYOOLGOY-AWEZNQCLSA-N 1 3 266.816 3.114 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC000104095750 370336765 /nfs/dbraw/zinc/33/67/65/370336765.db2.gz CWUFJEXYOOLGOY-AWEZNQCLSA-N 1 3 266.816 3.114 20 0 CGADHO C[C@@H](Cc1ccccc1F)NCCC[NH+]1CCCCC1 ZINC000134094139 371303477 /nfs/dbraw/zinc/30/34/77/371303477.db2.gz CBGDCLJFJRPUQU-HNNXBMFYSA-N 1 3 278.415 3.222 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851761 376205460 /nfs/dbraw/zinc/20/54/60/376205460.db2.gz QKSPKGNXDJXCOB-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851761 376205463 /nfs/dbraw/zinc/20/54/63/376205463.db2.gz QKSPKGNXDJXCOB-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000151129027 371574957 /nfs/dbraw/zinc/57/49/57/371574957.db2.gz YYBQYYVSKDYHIU-UONOGXRCSA-N 1 3 293.480 3.150 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCCCC2)C1 ZINC000421823294 371645022 /nfs/dbraw/zinc/64/50/22/371645022.db2.gz CRFMMWLPWDGVMU-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000421874331 371691094 /nfs/dbraw/zinc/69/10/94/371691094.db2.gz IFIXKPZUITZENP-LSDHHAIUSA-N 1 3 278.440 3.324 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152436046 371696260 /nfs/dbraw/zinc/69/62/60/371696260.db2.gz COBQJAZNNLTSEP-CHWSQXEVSA-N 1 3 290.476 3.372 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152436046 371696265 /nfs/dbraw/zinc/69/62/65/371696265.db2.gz COBQJAZNNLTSEP-CHWSQXEVSA-N 1 3 290.476 3.372 20 0 CGADHO CC(C)OC[C@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000337343731 214019678 /nfs/dbraw/zinc/01/96/78/214019678.db2.gz SOUWXWUBJKQVMH-INIZCTEOSA-N 1 3 292.467 3.430 20 0 CGADHO CC(C)OC[C@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000337343731 214019681 /nfs/dbraw/zinc/01/96/81/214019681.db2.gz SOUWXWUBJKQVMH-INIZCTEOSA-N 1 3 292.467 3.430 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(C2CC2)c1 ZINC000422557964 371747760 /nfs/dbraw/zinc/74/77/60/371747760.db2.gz XQDVQTDOYMBQBP-IAGOWNOFSA-N 1 3 258.409 3.171 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000422706186 371761135 /nfs/dbraw/zinc/76/11/35/371761135.db2.gz SXRJIEFIENPNNU-GMIGKAJZSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000422708526 371762100 /nfs/dbraw/zinc/76/21/00/371762100.db2.gz JAJWLNBDXHZMQX-HEHGZKQESA-N 1 3 296.430 3.335 20 0 CGADHO CCC(CC)[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422717083 371765334 /nfs/dbraw/zinc/76/53/34/371765334.db2.gz OEFANDGVZQYCEI-GUYCJALGSA-N 1 3 260.425 3.361 20 0 CGADHO CCC(CC)[C@H]([NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422717083 371765342 /nfs/dbraw/zinc/76/53/42/371765342.db2.gz OEFANDGVZQYCEI-GUYCJALGSA-N 1 3 260.425 3.361 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000422764608 371792451 /nfs/dbraw/zinc/79/24/51/371792451.db2.gz JZKGOEUCLORDER-SWLSCSKDSA-N 1 3 298.883 3.410 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422720186 371767957 /nfs/dbraw/zinc/76/79/57/371767957.db2.gz ZXMLXDSJDRPHEQ-SJLPKXTDSA-N 1 3 296.499 3.484 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(Cl)cc1Cl ZINC000422725524 371770513 /nfs/dbraw/zinc/77/05/13/371770513.db2.gz BPSHNXKBMIYCBT-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725524 371770515 /nfs/dbraw/zinc/77/05/15/371770515.db2.gz BPSHNXKBMIYCBT-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000422762293 371792897 /nfs/dbraw/zinc/79/28/97/371792897.db2.gz MOUIPERNCJQDSZ-KMFMINBZSA-N 1 3 276.424 3.124 20 0 CGADHO CC(C)(C[NH2+]C1CCNCC1)c1ccc(F)cc1Cl ZINC000422735774 371774121 /nfs/dbraw/zinc/77/41/21/371774121.db2.gz VGGUAOLQSSGRAW-UHFFFAOYSA-N 1 3 284.806 3.098 20 0 CGADHO CC(C)(CNC1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000422735774 371774131 /nfs/dbraw/zinc/77/41/31/371774131.db2.gz VGGUAOLQSSGRAW-UHFFFAOYSA-N 1 3 284.806 3.098 20 0 CGADHO C[C@H](NCCCCN(C)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422744229 371778808 /nfs/dbraw/zinc/77/88/08/371778808.db2.gz VRKOXJCFNUKNID-WMZOPIPTSA-N 1 3 289.467 3.023 20 0 CGADHO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@H]1CCCCN1 ZINC000422743532 371780132 /nfs/dbraw/zinc/78/01/32/371780132.db2.gz RQPDTAVRDFDHIY-QWHCGFSZSA-N 1 3 295.496 3.103 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422749834 371783580 /nfs/dbraw/zinc/78/35/80/371783580.db2.gz BCPQSXAZOFMMHP-CXAGYDPISA-N 1 3 295.430 3.057 20 0 CGADHO c1ccc(SCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422750177 371785114 /nfs/dbraw/zinc/78/51/14/371785114.db2.gz CIGBPDGCWXHLCZ-YIONKMFJSA-N 1 3 276.449 3.041 20 0 CGADHO Clc1cccc(C2(CN[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000422757974 371790392 /nfs/dbraw/zinc/79/03/92/371790392.db2.gz DKDJMTAHOJOGIL-HNNXBMFYSA-N 1 3 278.827 3.103 20 0 CGADHO Clc1cccc(C2(C[NH2+][C@H]3CCCNCC3)CC2)c1 ZINC000422757974 371790396 /nfs/dbraw/zinc/79/03/96/371790396.db2.gz DKDJMTAHOJOGIL-HNNXBMFYSA-N 1 3 278.827 3.103 20 0 CGADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000337340909 214016250 /nfs/dbraw/zinc/01/62/50/214016250.db2.gz PUXDXXJWINVEPX-MRXNPFEDSA-N 1 3 292.467 3.430 20 0 CGADHO CC(C)OC[C@@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000337340909 214016252 /nfs/dbraw/zinc/01/62/52/214016252.db2.gz PUXDXXJWINVEPX-MRXNPFEDSA-N 1 3 292.467 3.430 20 0 CGADHO c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCN4CCC[C@@H]4C3)C2)c1 ZINC000337344827 214018384 /nfs/dbraw/zinc/01/83/84/214018384.db2.gz ULQWGNNLUUCSJF-QXCFHYIPSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000337344827 214018385 /nfs/dbraw/zinc/01/83/85/214018385.db2.gz ULQWGNNLUUCSJF-QXCFHYIPSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000337344827 214018386 /nfs/dbraw/zinc/01/83/86/214018386.db2.gz ULQWGNNLUUCSJF-QXCFHYIPSA-N 1 3 299.462 3.324 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422768012 371794153 /nfs/dbraw/zinc/79/41/53/371794153.db2.gz NMHQXCPTXNFHNS-CJNGLKHVSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422768012 371794161 /nfs/dbraw/zinc/79/41/61/371794161.db2.gz NMHQXCPTXNFHNS-CJNGLKHVSA-N 1 3 292.854 3.349 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422766474 371794769 /nfs/dbraw/zinc/79/47/69/371794769.db2.gz XJIYRVYGVUBBHP-ZBFHGGJFSA-N 1 3 278.465 3.276 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422777699 371801816 /nfs/dbraw/zinc/80/18/16/371801816.db2.gz GDCXIWHJQOGDPU-XWIAVFTESA-N 1 3 288.435 3.050 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000422780651 371802700 /nfs/dbraw/zinc/80/27/00/371802700.db2.gz JQVKZIZVADONHA-PVAVHDDUSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(Br)cc1 ZINC000422788648 371808957 /nfs/dbraw/zinc/80/89/57/371808957.db2.gz VVVUHKIXGIXQFW-HBNTYKKESA-N 1 3 285.229 3.226 20 0 CGADHO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422793785 371813756 /nfs/dbraw/zinc/81/37/56/371813756.db2.gz YHJGPVNGASGHOE-HNNXBMFYSA-N 1 3 297.446 3.359 20 0 CGADHO C(CCC1CCCC1)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422797674 371814835 /nfs/dbraw/zinc/81/48/35/371814835.db2.gz NYULKGWUHXQKML-FGTMMUONSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1F ZINC000422799572 371818936 /nfs/dbraw/zinc/81/89/36/371818936.db2.gz XKBKNRAGGKUEEK-HFBAOOFYSA-N 1 3 282.378 3.318 20 0 CGADHO Cc1nc(CCN2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000154411021 371845164 /nfs/dbraw/zinc/84/51/64/371845164.db2.gz VTYAKKIPVOGRPO-UHFFFAOYSA-N 1 3 295.496 3.048 20 0 CGADHO CC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000422865532 371845280 /nfs/dbraw/zinc/84/52/80/371845280.db2.gz YKKRKHNVGMPRMY-IUODEOHRSA-N 1 3 263.429 3.324 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422872124 371846803 /nfs/dbraw/zinc/84/68/03/371846803.db2.gz FTUYLNDJEXVVMX-ZENOOKHLSA-N 1 3 261.413 3.078 20 0 CGADHO CSc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422877526 371850172 /nfs/dbraw/zinc/85/01/72/371850172.db2.gz HZAASFBOOACFJE-HUUCEWRRSA-N 1 3 264.438 3.158 20 0 CGADHO CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422883240 371853781 /nfs/dbraw/zinc/85/37/81/371853781.db2.gz QESCYIGWEUZWHB-MELADBBJSA-N 1 3 264.413 3.250 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422914902 371865131 /nfs/dbraw/zinc/86/51/31/371865131.db2.gz WKVABSLRJZCLKP-ASHKBJFXSA-N 1 3 284.831 3.131 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2Cc2ccccc2)c2ccccc21 ZINC000422915062 371865349 /nfs/dbraw/zinc/86/53/49/371865349.db2.gz AOAIQKAHMXXIDQ-OAOYMFHYSA-N 1 3 278.399 3.352 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1c(F)cccc1Cl ZINC000422924471 371873176 /nfs/dbraw/zinc/87/31/76/371873176.db2.gz YMEANDMCFUTWGL-SMDDNHRTSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1C[NH3+])c1c(F)cccc1Cl ZINC000422924471 371873180 /nfs/dbraw/zinc/87/31/80/371873180.db2.gz YMEANDMCFUTWGL-SMDDNHRTSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422924770 371873660 /nfs/dbraw/zinc/87/36/60/371873660.db2.gz BDTMJCJWAQJPRP-RHSMWYFYSA-N 1 3 290.451 3.080 20 0 CGADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423052700 371936654 /nfs/dbraw/zinc/93/66/54/371936654.db2.gz RBHZKDUHFQFIBU-ZOFXXKQRSA-N 1 3 294.483 3.089 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423053509 371937695 /nfs/dbraw/zinc/93/76/95/371937695.db2.gz SRAZFWXTEWNJBW-BDXSIMOUSA-N 1 3 288.435 3.156 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2c1cccc2Br ZINC000422960746 371892655 /nfs/dbraw/zinc/89/26/55/371892655.db2.gz XPTBYTWHZAOAKD-IMSIIYSGSA-N 1 3 297.240 3.152 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422967987 371895063 /nfs/dbraw/zinc/89/50/63/371895063.db2.gz QCZQOKFIUKUFSO-QBPKDAKJSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCC(F)(F)C1 ZINC000422988664 371902857 /nfs/dbraw/zinc/90/28/57/371902857.db2.gz JRLRLGWYUUGYBM-AEGPPILISA-N 1 3 282.378 3.112 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@H](C)C[C@H](C)[NH3+] ZINC000423007036 371913031 /nfs/dbraw/zinc/91/30/31/371913031.db2.gz XBIRSYROBQGUBS-BFHYXJOUSA-N 1 3 266.454 3.273 20 0 CGADHO CC[C@H](CSc1ccccc1)[NH2+][C@H](C)C[C@H](C)N ZINC000423007036 371913034 /nfs/dbraw/zinc/91/30/34/371913034.db2.gz XBIRSYROBQGUBS-BFHYXJOUSA-N 1 3 266.454 3.273 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@@H](CCO)C2CCCCC2)c2ccccc21 ZINC000423009448 371913535 /nfs/dbraw/zinc/91/35/35/371913535.db2.gz VPXJDPGXUAYBQA-FGTMMUONSA-N 1 3 288.435 3.052 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCn1c2ccccc2c2ccccc21 ZINC000423035668 371926935 /nfs/dbraw/zinc/92/69/35/371926935.db2.gz SGNJVMFGEVMOFR-IRXDYDNUSA-N 1 3 293.414 3.264 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044549 371929664 /nfs/dbraw/zinc/92/96/64/371929664.db2.gz BHDSTQKXRSSEBU-UONOGXRCSA-N 1 3 268.351 3.374 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423093727 371957523 /nfs/dbraw/zinc/95/75/23/371957523.db2.gz AEUGQCVZNWGEGF-IRUJWGPZSA-N 1 3 299.245 3.437 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CNC1 ZINC000423093727 371957527 /nfs/dbraw/zinc/95/75/27/371957527.db2.gz AEUGQCVZNWGEGF-IRUJWGPZSA-N 1 3 299.245 3.437 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCCc2ccccc2F)c2ccccc21 ZINC000423093578 371959134 /nfs/dbraw/zinc/95/91/34/371959134.db2.gz IBQXZXJZJOESTH-ROUUACIJSA-N 1 3 284.378 3.493 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423096933 371959858 /nfs/dbraw/zinc/95/98/58/371959858.db2.gz QBAKUOPTEUXQNU-KCMWZYNZSA-N 1 3 290.426 3.440 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H](c2ccccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000423105637 371967177 /nfs/dbraw/zinc/96/71/77/371967177.db2.gz ZCHAGSNUTMLNDQ-GBJTYRQASA-N 1 3 276.399 3.049 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122414 371976572 /nfs/dbraw/zinc/97/65/72/371976572.db2.gz KPUSOMDRFRECSP-ZJPYXAASSA-N 1 3 288.435 3.156 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2sc(Cl)cc21 ZINC000423120651 371976749 /nfs/dbraw/zinc/97/67/49/371976749.db2.gz HDKKCMHDFHCAJC-ZMLRMANQSA-N 1 3 284.856 3.496 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2sccc2c1 ZINC000423126503 371979462 /nfs/dbraw/zinc/97/94/62/371979462.db2.gz RVZJIAFBCVTGBZ-UONOGXRCSA-N 1 3 260.406 3.118 20 0 CGADHO c1c2ccccc2sc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423139901 371987256 /nfs/dbraw/zinc/98/72/56/371987256.db2.gz WUTMRZWMPCXSQA-YIONKMFJSA-N 1 3 286.444 3.316 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423142602 371989181 /nfs/dbraw/zinc/98/91/81/371989181.db2.gz ARMGDNHSQDCQLK-FKGLVLAHSA-N 1 3 264.800 3.055 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCNCC[C@@H]3C)CC2)c(C)c1 ZINC000423149555 371992694 /nfs/dbraw/zinc/99/26/94/371992694.db2.gz XTINBSZLVZGFPX-YJBOKZPZSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(C2(CN[C@H]3CC[NH2+]CC[C@@H]3C)CC2)c(C)c1 ZINC000423149555 371992701 /nfs/dbraw/zinc/99/27/01/371992701.db2.gz XTINBSZLVZGFPX-YJBOKZPZSA-N 1 3 286.463 3.313 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2csc(C(C)C)n2)[C@H](C)C1 ZINC000156965157 372003221 /nfs/dbraw/zinc/00/32/21/372003221.db2.gz FJTZCECENPLZLH-HIFRSBDPSA-N 1 3 295.496 3.129 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2csc(C(C)C)n2)[C@H](C)C1 ZINC000156965157 372003225 /nfs/dbraw/zinc/00/32/25/372003225.db2.gz FJTZCECENPLZLH-HIFRSBDPSA-N 1 3 295.496 3.129 20 0 CGADHO Cc1cccnc1CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423158051 371996695 /nfs/dbraw/zinc/99/66/95/371996695.db2.gz WCQYGTTZWWXIPB-AEFFLSMTSA-N 1 3 281.403 3.057 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000423164418 371997462 /nfs/dbraw/zinc/99/74/62/371997462.db2.gz ONFRBEUIVHAUFE-ZFWWWQNUSA-N 1 3 250.430 3.101 20 0 CGADHO COc1cc(F)cc(C[C@H](C)N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423163591 371997742 /nfs/dbraw/zinc/99/77/42/371997742.db2.gz MVWXMIRQUSSBAZ-VUCTXSBTSA-N 1 3 294.414 3.015 20 0 CGADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423166404 371998260 /nfs/dbraw/zinc/99/82/60/371998260.db2.gz ZDLFCKYWZFAIOE-NWANDNLSSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083710 371954601 /nfs/dbraw/zinc/95/46/01/371954601.db2.gz GKYINBFCYNMUKV-QCPWZWHMSA-N 1 3 276.399 3.049 20 0 CGADHO c1cnc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000423089607 371955874 /nfs/dbraw/zinc/95/58/74/371955874.db2.gz VQHFDDHYLAAHDM-NZSAHSFTSA-N 1 3 295.430 3.245 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423188626 372015830 /nfs/dbraw/zinc/01/58/30/372015830.db2.gz LUZOVVXRKHBDTP-JTQLQIEISA-N 1 3 274.380 3.043 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423190973 372017779 /nfs/dbraw/zinc/01/77/79/372017779.db2.gz TXDVXOMBGTUXJV-NEPJUHHUSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@H](NC1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423190973 372017785 /nfs/dbraw/zinc/01/77/85/372017785.db2.gz TXDVXOMBGTUXJV-NEPJUHHUSA-N 1 3 266.816 3.174 20 0 CGADHO CNCCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423198066 372021118 /nfs/dbraw/zinc/02/11/18/372021118.db2.gz CUSDKZLJBZAFEW-DZGCQCFKSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423198066 372021128 /nfs/dbraw/zinc/02/11/28/372021128.db2.gz CUSDKZLJBZAFEW-DZGCQCFKSA-N 1 3 266.816 3.175 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000037644562 541865626 /nfs/dbraw/zinc/86/56/26/541865626.db2.gz HUOZIXJNPNZSRC-SWLSCSKDSA-N 1 3 294.439 3.294 20 0 CGADHO CNCCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423198997 372023797 /nfs/dbraw/zinc/02/37/97/372023797.db2.gz JAHJEEJUAVBTGX-ZFWWWQNUSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423198997 372023801 /nfs/dbraw/zinc/02/38/01/372023801.db2.gz JAHJEEJUAVBTGX-ZFWWWQNUSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000423270644 372045820 /nfs/dbraw/zinc/04/58/20/372045820.db2.gz IHMMAHWBRKNDEN-WBVHZDCISA-N 1 3 274.452 3.460 20 0 CGADHO CCC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CCCC1 ZINC000423346779 372053026 /nfs/dbraw/zinc/05/30/26/372053026.db2.gz QFNIADPFHYTRPU-HZPDHXFCSA-N 1 3 252.446 3.325 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCCC1)c1cccs1 ZINC000423175103 372004114 /nfs/dbraw/zinc/00/41/14/372004114.db2.gz CYOWUCATBHJDKC-GFCCVEGCSA-N 1 3 252.427 3.450 20 0 CGADHO c1coc([C@@H]2C[C@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423174877 372005120 /nfs/dbraw/zinc/00/51/20/372005120.db2.gz CVHORYRUXNIUAD-QBPKDAKJSA-N 1 3 282.387 3.218 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423176873 372006285 /nfs/dbraw/zinc/00/62/85/372006285.db2.gz IEUZAZWEAOJRAX-OAHLLOKOSA-N 1 3 298.434 3.185 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000423182117 372010782 /nfs/dbraw/zinc/01/07/82/372010782.db2.gz PVGUXJDAHAUPJC-CQSZACIVSA-N 1 3 270.376 3.478 20 0 CGADHO C[C@@H](NCCC[NH3+])[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000423182684 372010830 /nfs/dbraw/zinc/01/08/30/372010830.db2.gz GSYZLNQXXCIZKY-NXEZZACHSA-N 1 3 291.222 3.088 20 0 CGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCCN ZINC000423183794 372011330 /nfs/dbraw/zinc/01/13/30/372011330.db2.gz HQUBRJWULFJLBH-HNNXBMFYSA-N 1 3 268.832 3.236 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423181505 372011383 /nfs/dbraw/zinc/01/13/83/372011383.db2.gz FZMRBFDIYJQHEH-HIFRSBDPSA-N 1 3 266.816 3.305 20 0 CGADHO [NH3+]C1(CN[C@H](Cc2ccccc2)C2CC2)CCCCC1 ZINC000423186224 372012581 /nfs/dbraw/zinc/01/25/81/372012581.db2.gz WTXFOQYHMSBVTA-QGZVFWFLSA-N 1 3 272.436 3.259 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2(N)CCCCC2)c2ccccc21 ZINC000423184996 372013614 /nfs/dbraw/zinc/01/36/14/372013614.db2.gz UKJBIAFHEYILKM-XJKSGUPXSA-N 1 3 258.409 3.486 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423394365 372059609 /nfs/dbraw/zinc/05/96/09/372059609.db2.gz RITODQJNWUBCOJ-IKGGRYGDSA-N 1 3 278.415 3.252 20 0 CGADHO [NH3+]CCCN[C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423188654 372014549 /nfs/dbraw/zinc/01/45/49/372014549.db2.gz LZHVGCWLMQXWSC-CQSZACIVSA-N 1 3 252.789 3.120 20 0 CGADHO c1c[nH]c([C@H](NCCC[C@H]2CCC[NH2+]2)C2CCCCC2)n1 ZINC000423483014 372068838 /nfs/dbraw/zinc/06/88/38/372068838.db2.gz PNGQQOKANCETRY-HZPDHXFCSA-N 1 3 290.455 3.153 20 0 CGADHO C[C@@H](CCC1CCCC1)[NH2+]CC1=CCN(C)CC1 ZINC000344302131 217140534 /nfs/dbraw/zinc/14/05/34/217140534.db2.gz SNMUFSAUFYXTFN-AWEZNQCLSA-N 1 3 250.430 3.197 20 0 CGADHO Cc1cccc(C[N@@H+](C)CC[C@@H]2CCCN2C)c1C ZINC000428716133 372254007 /nfs/dbraw/zinc/25/40/07/372254007.db2.gz HTNKGMXPZKWASU-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C[N@H+](C)CC[C@@H]2CCCN2C)c1C ZINC000428716133 372254010 /nfs/dbraw/zinc/25/40/10/372254010.db2.gz HTNKGMXPZKWASU-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO c1cc(CNCCCCC[NH+]2CCCC2)cs1 ZINC000293180240 372320122 /nfs/dbraw/zinc/32/01/22/372320122.db2.gz WQPZBWPRSTYDIB-UHFFFAOYSA-N 1 3 252.427 3.104 20 0 CGADHO NC[C@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000430919714 372404893 /nfs/dbraw/zinc/40/48/93/372404893.db2.gz RMDLAEAFJJKDIG-OAHLLOKOSA-N 1 3 268.404 3.053 20 0 CGADHO NC[C@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430919714 372404896 /nfs/dbraw/zinc/40/48/96/372404896.db2.gz RMDLAEAFJJKDIG-OAHLLOKOSA-N 1 3 268.404 3.053 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(C[NH2+]C)CC1 ZINC000430933160 372406413 /nfs/dbraw/zinc/40/64/13/372406413.db2.gz HGYVJMCQVGDQPO-INIZCTEOSA-N 1 3 282.378 3.347 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC([C@H](C)[NH3+])CC1 ZINC000430954777 372410494 /nfs/dbraw/zinc/41/04/94/372410494.db2.gz GKPCWGADKHYGRL-ZBEGNZNMSA-N 1 3 282.378 3.475 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000163241122 372455723 /nfs/dbraw/zinc/45/57/23/372455723.db2.gz JNIJAUBXWJEHSZ-QWHCGFSZSA-N 1 3 296.842 3.341 20 0 CGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166648314 372579231 /nfs/dbraw/zinc/57/92/31/372579231.db2.gz IHSUXRKNLGZJMG-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cc([C@H](C)[NH2+]CCCN2CCCC2)cs1 ZINC000294191517 372608876 /nfs/dbraw/zinc/60/88/76/372608876.db2.gz KZOWNFZMKPVFPI-ZDUSSCGKSA-N 1 3 252.427 3.193 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000344511224 217216294 /nfs/dbraw/zinc/21/62/94/217216294.db2.gz ISQSLVKXFMCDQZ-RHSMWYFYSA-N 1 3 283.419 3.055 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000344511226 217217143 /nfs/dbraw/zinc/21/71/43/217217143.db2.gz ISQSLVKXFMCDQZ-WMLDXEAASA-N 1 3 283.419 3.055 20 0 CGADHO CN(Cc1cccc(-c2cccnc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435434030 372763044 /nfs/dbraw/zinc/76/30/44/372763044.db2.gz VVPIVTGMWVHBIS-IBGZPJMESA-N 1 3 295.430 3.323 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353449707 220087763 /nfs/dbraw/zinc/08/77/63/220087763.db2.gz RONLYFAZRAREQJ-DJIMGWMZSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353449707 220087764 /nfs/dbraw/zinc/08/77/64/220087764.db2.gz RONLYFAZRAREQJ-DJIMGWMZSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353449707 220087766 /nfs/dbraw/zinc/08/77/66/220087766.db2.gz RONLYFAZRAREQJ-DJIMGWMZSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000295884302 372947917 /nfs/dbraw/zinc/94/79/17/372947917.db2.gz HIXSCWOEUTUUIN-YCXXCVGLSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000295884302 372947924 /nfs/dbraw/zinc/94/79/24/372947924.db2.gz HIXSCWOEUTUUIN-YCXXCVGLSA-N 1 3 270.420 3.197 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1cccc(C(C)(C)C)c1 ZINC000442768975 373076073 /nfs/dbraw/zinc/07/60/73/373076073.db2.gz PKBOQYXPWCWZRL-CABCVRRESA-N 1 3 290.451 3.032 20 0 CGADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000296365542 373107335 /nfs/dbraw/zinc/10/73/35/373107335.db2.gz IFZYKNPHSBYYAE-ZBFHGGJFSA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccsc1 ZINC000296365542 373107346 /nfs/dbraw/zinc/10/73/46/373107346.db2.gz IFZYKNPHSBYYAE-ZBFHGGJFSA-N 1 3 296.480 3.290 20 0 CGADHO c1ccc(C[C@@H]2CC[N@H+]2CCCN2CCCCC2)cc1 ZINC000444620025 373213497 /nfs/dbraw/zinc/21/34/97/373213497.db2.gz LMCAWAUDDLYURI-SFHVURJKSA-N 1 3 272.436 3.179 20 0 CGADHO c1ccc(C[C@@H]2CC[N@@H+]2CCCN2CCCCC2)cc1 ZINC000444620025 373213503 /nfs/dbraw/zinc/21/35/03/373213503.db2.gz LMCAWAUDDLYURI-SFHVURJKSA-N 1 3 272.436 3.179 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000173886695 373209135 /nfs/dbraw/zinc/20/91/35/373209135.db2.gz HJDUAXUXAZNJBT-CVEARBPZSA-N 1 3 260.425 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000173886695 373209147 /nfs/dbraw/zinc/20/91/47/373209147.db2.gz HJDUAXUXAZNJBT-CVEARBPZSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000173886695 373209155 /nfs/dbraw/zinc/20/91/55/373209155.db2.gz HJDUAXUXAZNJBT-CVEARBPZSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000173886695 373209163 /nfs/dbraw/zinc/20/91/63/373209163.db2.gz HJDUAXUXAZNJBT-CVEARBPZSA-N 1 3 260.425 3.064 20 0 CGADHO CSC1(CN[C@H](C)c2cc(C)oc2C)CC[NH+](C)CC1 ZINC000353639451 220215482 /nfs/dbraw/zinc/21/54/82/220215482.db2.gz DEBZDHRHKNIIQX-CYBMUJFWSA-N 1 3 296.480 3.374 20 0 CGADHO CSC1(C[NH2+][C@H](C)c2cc(C)oc2C)CCN(C)CC1 ZINC000353639451 220215485 /nfs/dbraw/zinc/21/54/85/220215485.db2.gz DEBZDHRHKNIIQX-CYBMUJFWSA-N 1 3 296.480 3.374 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449359760 373684750 /nfs/dbraw/zinc/68/47/50/373684750.db2.gz RGUBFZVSCYXEDK-BQFCYCMXSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CCO)CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449359760 373684756 /nfs/dbraw/zinc/68/47/56/373684756.db2.gz RGUBFZVSCYXEDK-BQFCYCMXSA-N 1 3 296.499 3.028 20 0 CGADHO C1CC(C([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C2CCC2)C1 ZINC000311689020 374253912 /nfs/dbraw/zinc/25/39/12/374253912.db2.gz OICRILGQQDFCTL-HZPDHXFCSA-N 1 3 262.441 3.172 20 0 CGADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@](C)(CN)C2)c(C)c1 ZINC000311573075 374247330 /nfs/dbraw/zinc/24/73/30/374247330.db2.gz AWZQCVGAAYNTDR-WBVHZDCISA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@](C)(CN)C2)c(C)c1 ZINC000311573075 374247337 /nfs/dbraw/zinc/24/73/37/374247337.db2.gz AWZQCVGAAYNTDR-WBVHZDCISA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)c(C)s1 ZINC000182741420 374320337 /nfs/dbraw/zinc/32/03/37/374320337.db2.gz QWOUOFCCFWBSMT-TZMCWYRMSA-N 1 3 266.454 3.500 20 0 CGADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000317465413 374339766 /nfs/dbraw/zinc/33/97/66/374339766.db2.gz WJUFNXPLCZYGTB-GOEBONIOSA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc12 ZINC000317465413 374339771 /nfs/dbraw/zinc/33/97/71/374339771.db2.gz WJUFNXPLCZYGTB-GOEBONIOSA-N 1 3 298.430 3.421 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)c1C ZINC000183740430 374449457 /nfs/dbraw/zinc/44/94/57/374449457.db2.gz MIJRRISFEGGZGI-HOTGVXAUSA-N 1 3 260.425 3.438 20 0 CGADHO CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccn1 ZINC000453369577 374455180 /nfs/dbraw/zinc/45/51/80/374455180.db2.gz VDLLDSXBCZGXRM-UCMJJCQDSA-N 1 3 273.424 3.138 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC2CCC(F)(F)CC2)c2ccccc21 ZINC000335024763 375078571 /nfs/dbraw/zinc/07/85/71/375078571.db2.gz DWOIIWIRZDVGJM-KGLIPLIRSA-N 1 3 266.335 3.299 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1CC1(C)C ZINC000486938410 375198705 /nfs/dbraw/zinc/19/87/05/375198705.db2.gz PZJXKYIPVJSTFF-BBRMVZONSA-N 1 3 260.425 3.272 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000487278484 375218181 /nfs/dbraw/zinc/21/81/81/375218181.db2.gz OACZTPXJSLIHLN-ZNMIVQPWSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000226324635 296228874 /nfs/dbraw/zinc/22/88/74/296228874.db2.gz OPLMIYIEJRSMGU-RYUDHWBXSA-N 1 3 268.351 3.087 20 0 CGADHO Cc1cccc(CN(C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000123916067 542029847 /nfs/dbraw/zinc/02/98/47/542029847.db2.gz WMGWGJJLUQYGAJ-UHFFFAOYSA-N 1 3 280.415 3.273 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507506602 375708908 /nfs/dbraw/zinc/70/89/08/375708908.db2.gz GZYDVWNRXUZLHS-FJIDUMEYSA-N 1 3 296.499 3.292 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000515846331 375816315 /nfs/dbraw/zinc/81/63/15/375816315.db2.gz TZUPTMHFIKMVLD-GOSISDBHSA-N 1 3 281.403 3.182 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811455 375962656 /nfs/dbraw/zinc/96/26/56/375962656.db2.gz NBIRLOUHJTUPEV-WBOJAVRRSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000336811455 375962659 /nfs/dbraw/zinc/96/26/59/375962659.db2.gz NBIRLOUHJTUPEV-WBOJAVRRSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCNCC1(C)C)c1ccccc1 ZINC000311889006 572349864 /nfs/dbraw/zinc/34/98/64/572349864.db2.gz VZRKOYUOMIQMFB-GOEBONIOSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](CCN[C@@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000311889006 572349869 /nfs/dbraw/zinc/34/98/69/572349869.db2.gz VZRKOYUOMIQMFB-GOEBONIOSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000195136547 376083069 /nfs/dbraw/zinc/08/30/69/376083069.db2.gz NZFHEIXVHNJLOF-DOTOQJQBSA-N 1 3 284.403 3.452 20 0 CGADHO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951419 376136460 /nfs/dbraw/zinc/13/64/60/376136460.db2.gz CNBGJBHMGCRXJP-KBXCAEBGSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951419 376136463 /nfs/dbraw/zinc/13/64/63/376136463.db2.gz CNBGJBHMGCRXJP-KBXCAEBGSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000226332095 376353192 /nfs/dbraw/zinc/35/31/92/376353192.db2.gz BVURVCWMNAWNMW-VYDXJSESSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000226332095 376353197 /nfs/dbraw/zinc/35/31/97/376353197.db2.gz BVURVCWMNAWNMW-VYDXJSESSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CCN1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000226332095 376353200 /nfs/dbraw/zinc/35/32/00/376353200.db2.gz BVURVCWMNAWNMW-VYDXJSESSA-N 1 3 260.425 3.239 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436915 376360466 /nfs/dbraw/zinc/36/04/66/376360466.db2.gz QPJNHZZMMIOHNO-KDOFPFPSSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436915 376360471 /nfs/dbraw/zinc/36/04/71/376360471.db2.gz QPJNHZZMMIOHNO-KDOFPFPSSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436915 376360477 /nfs/dbraw/zinc/36/04/77/376360477.db2.gz QPJNHZZMMIOHNO-KDOFPFPSSA-N 1 3 270.420 3.138 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)CN1CCCC1 ZINC000227552089 376398477 /nfs/dbraw/zinc/39/84/77/376398477.db2.gz JJZUSZAQKBTNGH-PMPSAXMXSA-N 1 3 252.446 3.134 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)C/C=C/c2ccc(F)cc2F)C1 ZINC000541773177 376481714 /nfs/dbraw/zinc/48/17/14/376481714.db2.gz QJTNKDOIAZSCQR-YVZNUBBCSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)C/C=C/c2ccc(F)cc2F)C1 ZINC000541773177 376481717 /nfs/dbraw/zinc/48/17/17/376481717.db2.gz QJTNKDOIAZSCQR-YVZNUBBCSA-N 1 3 294.389 3.252 20 0 CGADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621201 376467673 /nfs/dbraw/zinc/46/76/73/376467673.db2.gz QPDUVYDPWUCDEY-HZPDHXFCSA-N 1 3 250.430 3.173 20 0 CGADHO C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621201 376467677 /nfs/dbraw/zinc/46/76/77/376467677.db2.gz QPDUVYDPWUCDEY-HZPDHXFCSA-N 1 3 250.430 3.173 20 0 CGADHO C(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC1CCCC1 ZINC000229621201 376467681 /nfs/dbraw/zinc/46/76/81/376467681.db2.gz QPDUVYDPWUCDEY-HZPDHXFCSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)CN1CCCCC1 ZINC000229640521 376467781 /nfs/dbraw/zinc/46/77/81/376467781.db2.gz BYUDTKXLMVYHDD-HNNXBMFYSA-N 1 3 285.435 3.380 20 0 CGADHO COCc1cccc(C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000230640204 376523123 /nfs/dbraw/zinc/52/31/23/376523123.db2.gz XWJMWKLWUQUETB-UHFFFAOYSA-N 1 3 290.451 3.043 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@H](CN(C)CC3CC3)C2)CC1 ZINC000542506918 376549781 /nfs/dbraw/zinc/54/97/81/376549781.db2.gz NAKLSWREVRZXRR-VMWRSERWSA-N 1 3 278.484 3.476 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@H](CN(C)CC3CC3)C2)CC1 ZINC000542506918 376549792 /nfs/dbraw/zinc/54/97/92/376549792.db2.gz NAKLSWREVRZXRR-VMWRSERWSA-N 1 3 278.484 3.476 20 0 CGADHO Cc1ccc(CCC[NH+]2CCC3(CCCN3C)CC2)cc1 ZINC000542267618 376528761 /nfs/dbraw/zinc/52/87/61/376528761.db2.gz OLPIIODGLOLQEX-UHFFFAOYSA-N 1 3 286.463 3.488 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000233503942 376596811 /nfs/dbraw/zinc/59/68/11/376596811.db2.gz DZXWRVVPIXAGGE-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233500807 376596990 /nfs/dbraw/zinc/59/69/90/376596990.db2.gz ONJFPVVHLYCPLE-FUHWJXTLSA-N 1 3 274.452 3.358 20 0 CGADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000542672275 376568088 /nfs/dbraw/zinc/56/80/88/376568088.db2.gz XOZVWDJLBLFWLT-HZPDHXFCSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000542672275 376568091 /nfs/dbraw/zinc/56/80/91/376568091.db2.gz XOZVWDJLBLFWLT-HZPDHXFCSA-N 1 3 292.471 3.115 20 0 CGADHO CCCC1CCC([N@H+](C)C[C@H]2CCCNC2)CC1 ZINC000232913861 376592673 /nfs/dbraw/zinc/59/26/73/376592673.db2.gz FMQWYKQYLFUTEZ-PCKAHOCUSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC1CCC([N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC000232913861 376592686 /nfs/dbraw/zinc/59/26/86/376592686.db2.gz FMQWYKQYLFUTEZ-PCKAHOCUSA-N 1 3 252.446 3.277 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@@H]1CCC[NH2+]C1 ZINC000235017647 376630063 /nfs/dbraw/zinc/63/00/63/376630063.db2.gz JSZVHWMHUIHLMR-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@@H]1CCCNC1 ZINC000235017647 376630069 /nfs/dbraw/zinc/63/00/69/376630069.db2.gz JSZVHWMHUIHLMR-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@@H]1CCCNC1 ZINC000235017647 376630077 /nfs/dbraw/zinc/63/00/77/376630077.db2.gz JSZVHWMHUIHLMR-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000339182072 376730301 /nfs/dbraw/zinc/73/03/01/376730301.db2.gz QDXSUXHRLUQBTC-ZDUSSCGKSA-N 1 3 278.827 3.222 20 0 CGADHO C[C@H](C[NH+]1CCC2(CCCN2C)CC1)c1ccccc1 ZINC000544129499 376706902 /nfs/dbraw/zinc/70/69/02/376706902.db2.gz MHCRUFJURCQHES-MRXNPFEDSA-N 1 3 272.436 3.350 20 0 CGADHO CCc1ccc(C[NH2+][C@H](C)C2CCN(C)CC2)s1 ZINC000156300879 542127371 /nfs/dbraw/zinc/12/73/71/542127371.db2.gz UOZOTLQKLQXBJL-GFCCVEGCSA-N 1 3 266.454 3.130 20 0 CGADHO CC1=CC[C@@H]([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000556811858 376883281 /nfs/dbraw/zinc/88/32/81/376883281.db2.gz YSHDPWWTMDZPOD-HZPDHXFCSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246376294 377017019 /nfs/dbraw/zinc/01/70/19/377017019.db2.gz JSVRTEXWRVJADK-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558698654 377034884 /nfs/dbraw/zinc/03/48/84/377034884.db2.gz WAQIFNSIFPTWOF-NQNKBUKLSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCCN1C ZINC000246572466 377055040 /nfs/dbraw/zinc/05/50/40/377055040.db2.gz BWIRKHKOTHSIDH-XJKSGUPXSA-N 1 3 264.388 3.303 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCCN1C ZINC000246572466 377055047 /nfs/dbraw/zinc/05/50/47/377055047.db2.gz BWIRKHKOTHSIDH-XJKSGUPXSA-N 1 3 264.388 3.303 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000246849029 377104858 /nfs/dbraw/zinc/10/48/58/377104858.db2.gz COBMJNANGQVFGR-RDJZCZTQSA-N 1 3 288.435 3.140 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000561975369 377259878 /nfs/dbraw/zinc/25/98/78/377259878.db2.gz KDNOSOUVKJZLKM-HSALFYBXSA-N 1 3 298.474 3.454 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000561975369 377259888 /nfs/dbraw/zinc/25/98/88/377259888.db2.gz KDNOSOUVKJZLKM-HSALFYBXSA-N 1 3 298.474 3.454 20 0 CGADHO CCC(C)(C)[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000562564452 377331216 /nfs/dbraw/zinc/33/12/16/377331216.db2.gz IZVHJPAVTFYCAI-XHSDSOJGSA-N 1 3 284.488 3.290 20 0 CGADHO CCC(C)(C)[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000562564451 377331647 /nfs/dbraw/zinc/33/16/47/377331647.db2.gz IZVHJPAVTFYCAI-OWCLPIDISA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H]([NH2+][C@@H]1C=CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000248614676 377365191 /nfs/dbraw/zinc/36/51/91/377365191.db2.gz YOMDBWMBNXTHSF-HRCADAONSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@@H]1C=CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248614676 377365194 /nfs/dbraw/zinc/36/51/94/377365194.db2.gz YOMDBWMBNXTHSF-HRCADAONSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@@H]1C=CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248614676 377365206 /nfs/dbraw/zinc/36/52/06/377365206.db2.gz YOMDBWMBNXTHSF-HRCADAONSA-N 1 3 262.441 3.338 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000562956226 377376737 /nfs/dbraw/zinc/37/67/37/377376737.db2.gz PCIYTSBVWWDUNO-JKSUJKDBSA-N 1 3 275.440 3.005 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000562956226 377376748 /nfs/dbraw/zinc/37/67/48/377376748.db2.gz PCIYTSBVWWDUNO-JKSUJKDBSA-N 1 3 275.440 3.005 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000562956221 377376801 /nfs/dbraw/zinc/37/68/01/377376801.db2.gz PCIYTSBVWWDUNO-CVEARBPZSA-N 1 3 275.440 3.005 20 0 CGADHO CCNCCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000562956221 377376812 /nfs/dbraw/zinc/37/68/12/377376812.db2.gz PCIYTSBVWWDUNO-CVEARBPZSA-N 1 3 275.440 3.005 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248700049 377383236 /nfs/dbraw/zinc/38/32/36/377383236.db2.gz DWALWTXDRMGIQJ-OLZOCXBDSA-N 1 3 292.389 3.381 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248700049 377383239 /nfs/dbraw/zinc/38/32/39/377383239.db2.gz DWALWTXDRMGIQJ-OLZOCXBDSA-N 1 3 292.389 3.381 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248700046 377383322 /nfs/dbraw/zinc/38/33/22/377383322.db2.gz DWALWTXDRMGIQJ-CHWSQXEVSA-N 1 3 292.389 3.381 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248700046 377383326 /nfs/dbraw/zinc/38/33/26/377383326.db2.gz DWALWTXDRMGIQJ-CHWSQXEVSA-N 1 3 292.389 3.381 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000249042047 377449162 /nfs/dbraw/zinc/44/91/62/377449162.db2.gz VFDJDHGWPARZGL-ZBFHGGJFSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649241 249002645 /nfs/dbraw/zinc/00/26/45/249002645.db2.gz JWTTZLZLOIUCMP-KSSFIOAISA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649241 249002648 /nfs/dbraw/zinc/00/26/48/249002648.db2.gz JWTTZLZLOIUCMP-KSSFIOAISA-N 1 3 288.435 3.220 20 0 CGADHO c1ccc(SC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422907460 249127248 /nfs/dbraw/zinc/12/72/48/249127248.db2.gz LHGZUGTWYLBLRI-YIONKMFJSA-N 1 3 288.460 3.184 20 0 CGADHO c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250637549 377564941 /nfs/dbraw/zinc/56/49/41/377564941.db2.gz ASYUAOWIWLIEGY-BRWVUGGUSA-N 1 3 258.409 3.087 20 0 CGADHO Fc1ccc(/C=C/CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000470015591 249165525 /nfs/dbraw/zinc/16/55/25/249165525.db2.gz OPIFDSICYKMXGB-ZMUQKWFASA-N 1 3 288.410 3.303 20 0 CGADHO C1C[C@@H]([NH2+]C2CCCCC2)[C@@H]([C@H]2CCCCN2)C1 ZINC000250889746 377569703 /nfs/dbraw/zinc/56/97/03/377569703.db2.gz XIUQWAQEYRALSZ-BZUAXINKSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251007173 377570677 /nfs/dbraw/zinc/57/06/77/377570677.db2.gz SFVOGFLYWSTHQO-COXVUDFISA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007173 377570680 /nfs/dbraw/zinc/57/06/80/377570680.db2.gz SFVOGFLYWSTHQO-COXVUDFISA-N 1 3 292.854 3.487 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251330933 377580542 /nfs/dbraw/zinc/58/05/42/377580542.db2.gz OGNWEZLRTROZDT-QAETUUGQSA-N 1 3 264.457 3.418 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251425246 377582776 /nfs/dbraw/zinc/58/27/76/377582776.db2.gz STLJZSAHQXBKAO-CVEARBPZSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251425246 377582780 /nfs/dbraw/zinc/58/27/80/377582780.db2.gz STLJZSAHQXBKAO-CVEARBPZSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251425246 377582784 /nfs/dbraw/zinc/58/27/84/377582784.db2.gz STLJZSAHQXBKAO-CVEARBPZSA-N 1 3 250.430 3.173 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CCCCCOc2ccccc2)C1 ZINC000573844544 377583617 /nfs/dbraw/zinc/58/36/17/377583617.db2.gz AYWRBEGVKVJUCB-KRWDZBQOSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C[C@H](C)N ZINC000515845487 249222240 /nfs/dbraw/zinc/22/22/40/249222240.db2.gz HWEGMCZAWASBAS-SDDRHHMPSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000515845487 249222242 /nfs/dbraw/zinc/22/22/42/249222242.db2.gz HWEGMCZAWASBAS-SDDRHHMPSA-N 1 3 288.357 3.352 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccc3ccccc3c2)C1 ZINC000517041292 249255799 /nfs/dbraw/zinc/25/57/99/249255799.db2.gz LUTDBLQYKAXUJT-SJORKVTESA-N 1 3 284.403 3.078 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000251769704 377598689 /nfs/dbraw/zinc/59/86/89/377598689.db2.gz DZOLVKUBGKPJSX-OLMNGRFOSA-N 1 3 250.430 3.028 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000251828420 377600387 /nfs/dbraw/zinc/60/03/87/377600387.db2.gz YTOHVPHYKFYNIO-WHOFXGATSA-N 1 3 280.387 3.002 20 0 CGADHO COc1cccc([C@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000574324641 377647364 /nfs/dbraw/zinc/64/73/64/377647364.db2.gz YIAICFYIXDWMNC-ZDUSSCGKSA-N 1 3 270.376 3.005 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCCSCc2ccccc2)C1 ZINC000574486607 377671445 /nfs/dbraw/zinc/67/14/45/377671445.db2.gz KXICGAKNGOFXKG-QGZVFWFLSA-N 1 3 292.492 3.240 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCCSCc2ccccc2)C1 ZINC000574486607 377671453 /nfs/dbraw/zinc/67/14/53/377671453.db2.gz KXICGAKNGOFXKG-QGZVFWFLSA-N 1 3 292.492 3.240 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000574486607 377671457 /nfs/dbraw/zinc/67/14/57/377671457.db2.gz KXICGAKNGOFXKG-QGZVFWFLSA-N 1 3 292.492 3.240 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000259035023 377802857 /nfs/dbraw/zinc/80/28/57/377802857.db2.gz OXVDCCMTNJCMKR-HZPDHXFCSA-N 1 3 260.425 3.050 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[C@H](C)N ZINC000261583190 377823934 /nfs/dbraw/zinc/82/39/34/377823934.db2.gz RRIVFXBALDBCNH-AEJSXWLSSA-N 1 3 260.303 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261648746 377833116 /nfs/dbraw/zinc/83/31/16/377833116.db2.gz QPJNHZZMMIOHNO-KSSFIOAISA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261648746 377833121 /nfs/dbraw/zinc/83/31/21/377833121.db2.gz QPJNHZZMMIOHNO-KSSFIOAISA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261648746 377833125 /nfs/dbraw/zinc/83/31/25/377833125.db2.gz QPJNHZZMMIOHNO-KSSFIOAISA-N 1 3 270.420 3.138 20 0 CGADHO Fc1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000261922963 377867142 /nfs/dbraw/zinc/86/71/42/377867142.db2.gz KSDMTMMCYWXYNZ-HZPDHXFCSA-N 1 3 290.426 3.395 20 0 CGADHO Fc1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000261922963 377867147 /nfs/dbraw/zinc/86/71/47/377867147.db2.gz KSDMTMMCYWXYNZ-HZPDHXFCSA-N 1 3 290.426 3.395 20 0 CGADHO C[NH2+]CC1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000261942979 377871500 /nfs/dbraw/zinc/87/15/00/377871500.db2.gz MZKDKCVUWHXMIR-CYBMUJFWSA-N 1 3 280.843 3.375 20 0 CGADHO CC(C)[C@@H](c1ccccc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261971076 377873638 /nfs/dbraw/zinc/87/36/38/377873638.db2.gz IGUKBIXNGSSHBW-DLBZAZTESA-N 1 3 260.425 3.315 20 0 CGADHO C[C@]1(CN2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]C1 ZINC000262007837 377877316 /nfs/dbraw/zinc/87/73/16/377877316.db2.gz LZIBISMKZBDBKN-ZBFHGGJFSA-N 1 3 278.827 3.129 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)C1)c1cccc(OCCN(C)C)c1 ZINC000576004258 378006455 /nfs/dbraw/zinc/00/64/55/378006455.db2.gz RKGFKFDLDMZAKU-AWEZNQCLSA-N 1 3 290.451 3.466 20 0 CGADHO C(COC1CCCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000575905433 377999362 /nfs/dbraw/zinc/99/93/62/377999362.db2.gz VUUTVJBCPFHZEH-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000577899293 378021458 /nfs/dbraw/zinc/02/14/58/378021458.db2.gz OTBCCJXBHZJIIQ-HOCLYGCPSA-N 1 3 290.451 3.324 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000343572200 378024868 /nfs/dbraw/zinc/02/48/68/378024868.db2.gz WVSIRJZFLLPXOR-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CO[C@@H](C)[C@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000268834094 378127405 /nfs/dbraw/zinc/12/74/05/378127405.db2.gz RNZVNOLRTGHEQW-GJZGRUSLSA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@@H](C)[C@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000268834094 378127410 /nfs/dbraw/zinc/12/74/10/378127410.db2.gz RNZVNOLRTGHEQW-GJZGRUSLSA-N 1 3 278.440 3.040 20 0 CGADHO C[NH2+]C[C@@H]1CCN(C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837624 378200697 /nfs/dbraw/zinc/20/06/97/378200697.db2.gz KGXXSGKBXNINCN-FUHWJXTLSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@@H]1CC[N@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837624 378200699 /nfs/dbraw/zinc/20/06/99/378200699.db2.gz KGXXSGKBXNINCN-FUHWJXTLSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837624 378200700 /nfs/dbraw/zinc/20/07/00/378200700.db2.gz KGXXSGKBXNINCN-FUHWJXTLSA-N 1 3 274.452 3.358 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2SC)[C@@H](C)C1 ZINC000345167643 378210588 /nfs/dbraw/zinc/21/05/88/378210588.db2.gz RXZVONBGYBCLJL-SWLSCSKDSA-N 1 3 296.455 3.368 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@H]1OC ZINC000344079089 378157544 /nfs/dbraw/zinc/15/75/44/378157544.db2.gz SEGMAHGZAQUARF-QKPAOTATSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cccnc1Cl ZINC000268945896 378158774 /nfs/dbraw/zinc/15/87/74/378158774.db2.gz WMNBQNWOABASSE-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000579580863 378172489 /nfs/dbraw/zinc/17/24/89/378172489.db2.gz UEIIVSLJBQFFGA-KRWDZBQOSA-N 1 3 280.431 3.371 20 0 CGADHO CC(C)NCCC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000579580863 378172493 /nfs/dbraw/zinc/17/24/93/378172493.db2.gz UEIIVSLJBQFFGA-KRWDZBQOSA-N 1 3 280.431 3.371 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903811 378267498 /nfs/dbraw/zinc/26/74/98/378267498.db2.gz YAKQCZYSURKBQU-DMRZNYOFSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903811 378267501 /nfs/dbraw/zinc/26/75/01/378267501.db2.gz YAKQCZYSURKBQU-DMRZNYOFSA-N 1 3 278.827 3.446 20 0 CGADHO CCC(CC)[N@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000580956242 378271686 /nfs/dbraw/zinc/27/16/86/378271686.db2.gz OSJDPALFZYXMPF-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO CCC(CC)[N@@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000580956242 378271691 /nfs/dbraw/zinc/27/16/91/378271691.db2.gz OSJDPALFZYXMPF-UHFFFAOYSA-N 1 3 272.436 3.485 20 0 CGADHO c1cn(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000269979648 378289312 /nfs/dbraw/zinc/28/93/12/378289312.db2.gz QRTUARUKYQDWAT-MSOLQXFVSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000269979648 378289318 /nfs/dbraw/zinc/28/93/18/378289318.db2.gz QRTUARUKYQDWAT-MSOLQXFVSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)c2ccccc12 ZINC000269979648 378289323 /nfs/dbraw/zinc/28/93/23/378289323.db2.gz QRTUARUKYQDWAT-MSOLQXFVSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000269979655 378289725 /nfs/dbraw/zinc/28/97/25/378289725.db2.gz QRTUARUKYQDWAT-ZWKOTPCHSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000269979655 378289732 /nfs/dbraw/zinc/28/97/32/378289732.db2.gz QRTUARUKYQDWAT-ZWKOTPCHSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)c2ccccc12 ZINC000269979655 378289739 /nfs/dbraw/zinc/28/97/39/378289739.db2.gz QRTUARUKYQDWAT-ZWKOTPCHSA-N 1 3 297.446 3.248 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000580702168 378250373 /nfs/dbraw/zinc/25/03/73/378250373.db2.gz KDFCDNSZJVVWEO-DLBZAZTESA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580702168 378250374 /nfs/dbraw/zinc/25/03/74/378250374.db2.gz KDFCDNSZJVVWEO-DLBZAZTESA-N 1 3 290.451 3.050 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000580768113 378257122 /nfs/dbraw/zinc/25/71/22/378257122.db2.gz QILYIDSQTKJZKK-IAGOWNOFSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000580768113 378257126 /nfs/dbraw/zinc/25/71/26/378257126.db2.gz QILYIDSQTKJZKK-IAGOWNOFSA-N 1 3 260.425 3.300 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000582295229 378300768 /nfs/dbraw/zinc/30/07/68/378300768.db2.gz JXRVZWWKOMKSKI-WBHUJUFNSA-N 1 3 287.451 3.326 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000271952739 378528687 /nfs/dbraw/zinc/52/86/87/378528687.db2.gz DYCXYUVXUXGJEW-BKVYNOPKSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000271952739 378528693 /nfs/dbraw/zinc/52/86/93/378528693.db2.gz DYCXYUVXUXGJEW-BKVYNOPKSA-N 1 3 284.447 3.323 20 0 CGADHO CN(C)[C@H](CNc1cc[nH+]c2ccccc12)c1ccsc1 ZINC000346591078 378636969 /nfs/dbraw/zinc/63/69/69/378636969.db2.gz HFKIYFJSOLOFAI-QGZVFWFLSA-N 1 3 297.427 3.433 20 0 CGADHO Cc1cc2cc(CN3CCC(C[NH3+])CC3)oc2cc1C ZINC000346644552 378659405 /nfs/dbraw/zinc/65/94/05/378659405.db2.gz MFGHSZPHDJDRHA-UHFFFAOYSA-N 1 3 272.392 3.220 20 0 CGADHO COc1ccc(C2(NC[C@@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000346977295 378701922 /nfs/dbraw/zinc/70/19/22/378701922.db2.gz KIWKWPWGFJXHMK-OAHLLOKOSA-N 1 3 288.435 3.054 20 0 CGADHO COc1ccc(C2([NH2+]C[C@@H]3CCCNC3)CCCC2)cc1 ZINC000346977295 378701928 /nfs/dbraw/zinc/70/19/28/378701928.db2.gz KIWKWPWGFJXHMK-OAHLLOKOSA-N 1 3 288.435 3.054 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@@H+](C)C1CCNCC1 ZINC000347027103 378705974 /nfs/dbraw/zinc/70/59/74/378705974.db2.gz ULQPJTYFIQSKIT-UHFFFAOYSA-N 1 3 266.816 3.141 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@H+](C)C1CCNCC1 ZINC000347027103 378705976 /nfs/dbraw/zinc/70/59/76/378705976.db2.gz ULQPJTYFIQSKIT-UHFFFAOYSA-N 1 3 266.816 3.141 20 0 CGADHO CC[NH+](CC)CC1CCN(CCc2csc(C)n2)CC1 ZINC000348067003 378773992 /nfs/dbraw/zinc/77/39/92/378773992.db2.gz FBLSCFWRKVUNCQ-UHFFFAOYSA-N 1 3 295.496 3.048 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccccc1Cl ZINC000422792491 295332960 /nfs/dbraw/zinc/33/29/60/295332960.db2.gz ZHZUQXUISDEMPE-LSDHHAIUSA-N 1 3 266.816 3.132 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc4ccccc4s3)C[C@H]21 ZINC000346838317 218029939 /nfs/dbraw/zinc/02/99/39/218029939.db2.gz WXUXOUYLEZDLQT-FVQBIDKESA-N 1 3 286.444 3.461 20 0 CGADHO CO[C@H](CNCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000638601123 378846518 /nfs/dbraw/zinc/84/65/18/378846518.db2.gz KFXLMVRRDDFESI-RHSMWYFYSA-N 1 3 290.451 3.130 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1(C)C ZINC000346882650 218046196 /nfs/dbraw/zinc/04/61/96/218046196.db2.gz YSFFWNRAEQGZLZ-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC[C@@H](C)[NH+]2CCCCC2)C1(C)C ZINC000346882650 218046198 /nfs/dbraw/zinc/04/61/98/218046198.db2.gz YSFFWNRAEQGZLZ-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)O[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000638707705 378882564 /nfs/dbraw/zinc/88/25/64/378882564.db2.gz KLUFSUVVIDZUEQ-BPQIPLTHSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)O[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000638707705 378882566 /nfs/dbraw/zinc/88/25/66/378882566.db2.gz KLUFSUVVIDZUEQ-BPQIPLTHSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](C[N@@H+]1CCC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000347004335 218088452 /nfs/dbraw/zinc/08/84/52/218088452.db2.gz AUSLSEYFBCERJB-UXLLHSPISA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CCC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000347004335 218088454 /nfs/dbraw/zinc/08/84/54/218088454.db2.gz AUSLSEYFBCERJB-UXLLHSPISA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@]1(c2ccccc2)CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346993012 218082646 /nfs/dbraw/zinc/08/26/46/218082646.db2.gz UIDXGVJGRUYYLW-FUHWJXTLSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346993012 218082647 /nfs/dbraw/zinc/08/26/47/218082647.db2.gz UIDXGVJGRUYYLW-FUHWJXTLSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346993012 218082648 /nfs/dbraw/zinc/08/26/48/218082648.db2.gz UIDXGVJGRUYYLW-FUHWJXTLSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000434779018 296285516 /nfs/dbraw/zinc/28/55/16/296285516.db2.gz UOCRLAVOGRSYKM-BARDWOONSA-N 1 3 252.446 3.274 20 0 CGADHO CCC[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000347180599 218147420 /nfs/dbraw/zinc/14/74/20/218147420.db2.gz UZOBCJQRJZHKOD-RDJZCZTQSA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000347180599 218147421 /nfs/dbraw/zinc/14/74/21/218147421.db2.gz UZOBCJQRJZHKOD-RDJZCZTQSA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347180599 218147422 /nfs/dbraw/zinc/14/74/22/218147422.db2.gz UZOBCJQRJZHKOD-RDJZCZTQSA-N 1 3 260.425 3.241 20 0 CGADHO CCNCCC[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000567639431 322171895 /nfs/dbraw/zinc/17/18/95/322171895.db2.gz ORGPCCLWNVGNQP-QGZVFWFLSA-N 1 3 262.441 3.233 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)CC1 ZINC000639105693 379030501 /nfs/dbraw/zinc/03/05/01/379030501.db2.gz UURQQKUSYMSVFA-MRXNPFEDSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC000639105693 379030508 /nfs/dbraw/zinc/03/05/08/379030508.db2.gz UURQQKUSYMSVFA-MRXNPFEDSA-N 1 3 283.419 3.151 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169591 379088230 /nfs/dbraw/zinc/08/82/30/379088230.db2.gz GQFHJDMJOSCETD-CAMMJAKZSA-N 1 3 286.463 3.499 20 0 CGADHO CCSc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000349644858 379329685 /nfs/dbraw/zinc/32/96/85/379329685.db2.gz IWHRXUWDMSNNJC-XJKSGUPXSA-N 1 3 278.465 3.228 20 0 CGADHO CCSc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000349644858 379329694 /nfs/dbraw/zinc/32/96/94/379329694.db2.gz IWHRXUWDMSNNJC-XJKSGUPXSA-N 1 3 278.465 3.228 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000350225327 379530410 /nfs/dbraw/zinc/53/04/10/379530410.db2.gz XQVJJJYHCYVPKQ-CJNGLKHVSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCCC12CCOCC2)N1CCCCC1 ZINC000376739225 379597682 /nfs/dbraw/zinc/59/76/82/379597682.db2.gz IDYKXFSHVRTGLN-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757340 379572236 /nfs/dbraw/zinc/57/22/36/379572236.db2.gz GLUDIWMMERPTFR-ZDUSSCGKSA-N 1 3 294.389 3.444 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000280795793 379791444 /nfs/dbraw/zinc/79/14/44/379791444.db2.gz KADSILHLKRHGRK-YHUYYLMFSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000280795793 379791451 /nfs/dbraw/zinc/79/14/51/379791451.db2.gz KADSILHLKRHGRK-YHUYYLMFSA-N 1 3 288.410 3.288 20 0 CGADHO NCC[C@@H]1CCCC[N@@H+]1CCCCOc1ccccc1 ZINC000352508926 379839763 /nfs/dbraw/zinc/83/97/63/379839763.db2.gz IMMVRHIJDSFAGO-INIZCTEOSA-N 1 3 276.424 3.049 20 0 CGADHO NCC[C@@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000352508926 379839769 /nfs/dbraw/zinc/83/97/69/379839769.db2.gz IMMVRHIJDSFAGO-INIZCTEOSA-N 1 3 276.424 3.049 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1CCCCOc1ccccc1 ZINC000352508926 379839774 /nfs/dbraw/zinc/83/97/74/379839774.db2.gz IMMVRHIJDSFAGO-INIZCTEOSA-N 1 3 276.424 3.049 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1CCN ZINC000352540138 379849344 /nfs/dbraw/zinc/84/93/44/379849344.db2.gz HNZRSYZOGUGHNL-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1CCN ZINC000352540138 379849350 /nfs/dbraw/zinc/84/93/50/379849350.db2.gz HNZRSYZOGUGHNL-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCC(C)(C)C)CC[C@H]21 ZINC000410415842 380093894 /nfs/dbraw/zinc/09/38/94/380093894.db2.gz XLMABJGVXOEWSN-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCC(C)(C)C)CC[C@H]21 ZINC000410415842 380093895 /nfs/dbraw/zinc/09/38/95/380093895.db2.gz XLMABJGVXOEWSN-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643031859 380204784 /nfs/dbraw/zinc/20/47/84/380204784.db2.gz YNSOGFLBGRVXOP-MAUKXSAKSA-N 1 3 295.430 3.376 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)N[C@@H]1CCC[NH2+]CC1 ZINC000643522095 380337142 /nfs/dbraw/zinc/33/71/42/380337142.db2.gz HTHDMYDBRZSBPF-DZGCQCFKSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCNCC1 ZINC000643522095 380337148 /nfs/dbraw/zinc/33/71/48/380337148.db2.gz HTHDMYDBRZSBPF-DZGCQCFKSA-N 1 3 272.392 3.096 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H](NCC[NH2+]C3CC3)C2)cc1 ZINC000643507323 380330526 /nfs/dbraw/zinc/33/05/26/380330526.db2.gz ZCWNXBQSRGYQTK-FUHWJXTLSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000643512075 380333687 /nfs/dbraw/zinc/33/36/87/380333687.db2.gz HZCSZEIMLDMGSF-GZBFAFLISA-N 1 3 266.454 3.176 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000643548474 380365751 /nfs/dbraw/zinc/36/57/51/380365751.db2.gz PYORUJKONIOFEO-LSDHHAIUSA-N 1 3 288.435 3.329 20 0 CGADHO Cc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c(C)n1 ZINC000643523621 380339062 /nfs/dbraw/zinc/33/90/62/380339062.db2.gz BBQBOVJAXCMNDB-ZDUSSCGKSA-N 1 3 281.403 3.152 20 0 CGADHO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643529019 380346834 /nfs/dbraw/zinc/34/68/34/380346834.db2.gz SSOJQYPEIIKDKX-UONOGXRCSA-N 1 3 284.403 3.360 20 0 CGADHO CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534213 380350080 /nfs/dbraw/zinc/35/00/80/380350080.db2.gz OJIFQDCJGNSTQP-HUUCEWRRSA-N 1 3 280.362 3.148 20 0 CGADHO C(NC1CCC(C2CCCCC2)CC1)[C@H]1C[NH2+]CCCO1 ZINC000643542364 380357493 /nfs/dbraw/zinc/35/74/93/380357493.db2.gz AEQWXMBVFOHZMU-DAWZGUTISA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)s1 ZINC000643546298 380359098 /nfs/dbraw/zinc/35/90/98/380359098.db2.gz MAGJGELSLFDYIT-CHWSQXEVSA-N 1 3 264.438 3.382 20 0 CGADHO c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643547346 380361855 /nfs/dbraw/zinc/36/18/55/380361855.db2.gz DBKQWEUIXBICLN-NJAFHUGGSA-N 1 3 299.462 3.372 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643548369 380363061 /nfs/dbraw/zinc/36/30/61/380363061.db2.gz OKPOAQPMCWHFTH-PMPSAXMXSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547606 380363154 /nfs/dbraw/zinc/36/31/54/380363154.db2.gz HXEQRBSLQQWEDR-UONOGXRCSA-N 1 3 252.446 3.466 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C/c1ccc(F)cc1F ZINC000414813337 380424264 /nfs/dbraw/zinc/42/42/64/380424264.db2.gz YDPJJUZXXLWXBQ-QFMIGQRISA-N 1 3 280.362 3.085 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000414811699 380424294 /nfs/dbraw/zinc/42/42/94/380424294.db2.gz ZUFIRYQDFBNCAM-UHFFFAOYSA-N 1 3 286.419 3.456 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000414824674 380434679 /nfs/dbraw/zinc/43/46/79/380434679.db2.gz RGLJSLLDLBSEPE-NXNVCVFFSA-N 1 3 260.425 3.286 20 0 CGADHO Fc1ccccc1-c1ccc(CNCC[C@@H]2CC[NH2+]C2)o1 ZINC000414826733 380435422 /nfs/dbraw/zinc/43/54/22/380435422.db2.gz GBWGSRHRXCSRFA-ZDUSSCGKSA-N 1 3 288.366 3.175 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000414829097 380437344 /nfs/dbraw/zinc/43/73/44/380437344.db2.gz NBVIFPSOIYNNAQ-ZWKKMZQASA-N 1 3 284.447 3.270 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000414848830 380452117 /nfs/dbraw/zinc/45/21/17/380452117.db2.gz XMOHMAFQZINUFG-UAGQMJEPSA-N 1 3 260.425 3.076 20 0 CGADHO CCCC[C@@H](CC)CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414771694 380397409 /nfs/dbraw/zinc/39/74/09/380397409.db2.gz AGYOJMUBPWJVPU-IAGOWNOFSA-N 1 3 296.499 3.280 20 0 CGADHO CCCC[C@@H](CC)CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414771694 380397410 /nfs/dbraw/zinc/39/74/10/380397410.db2.gz AGYOJMUBPWJVPU-IAGOWNOFSA-N 1 3 296.499 3.280 20 0 CGADHO Fc1c(Cl)cccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777896 380400349 /nfs/dbraw/zinc/40/03/49/380400349.db2.gz IOJWFNXUNARZTR-STQMWFEESA-N 1 3 296.817 3.301 20 0 CGADHO c1sc(C[NH2+]C2CCNCC2)cc1-c1ccccc1 ZINC000414784377 380403682 /nfs/dbraw/zinc/40/36/82/380403682.db2.gz HUHBNYIAUKDYTP-UHFFFAOYSA-N 1 3 272.417 3.257 20 0 CGADHO Cc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788090 380405178 /nfs/dbraw/zinc/40/51/78/380405178.db2.gz WEKJLCNSUCHOQO-JKSUJKDBSA-N 1 3 292.854 3.470 20 0 CGADHO Clc1ccccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789641 380406669 /nfs/dbraw/zinc/40/66/69/380406669.db2.gz YJSWMRGGIVTAAA-KBPBESRZSA-N 1 3 278.827 3.162 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(OCC2CC2)cc1 ZINC000414793426 380409289 /nfs/dbraw/zinc/40/92/89/380409289.db2.gz DIUWRMBEUPPWHU-WMZOPIPTSA-N 1 3 288.435 3.083 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(OC2CCCC2)c1 ZINC000414802266 380414739 /nfs/dbraw/zinc/41/47/39/380414739.db2.gz VJVUQPLFNDSSHQ-YJBOKZPZSA-N 1 3 288.435 3.225 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414803774 380416225 /nfs/dbraw/zinc/41/62/25/380416225.db2.gz WUJRHMBQBJMVRS-FZMZJTMJSA-N 1 3 288.357 3.209 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414910320 380486436 /nfs/dbraw/zinc/48/64/36/380486436.db2.gz UUNCLHWPEDGADA-FGTMMUONSA-N 1 3 272.436 3.229 20 0 CGADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000354567299 380487005 /nfs/dbraw/zinc/48/70/05/380487005.db2.gz MKLPYDKOTIQPBP-QZTJIDSGSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414942754 380500510 /nfs/dbraw/zinc/50/05/10/380500510.db2.gz MWXOYKZLPNMDEM-VDNDLQMASA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414861280 380461330 /nfs/dbraw/zinc/46/13/30/380461330.db2.gz WJOUBWNPUUUSEQ-NUJGCVRESA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(-c2ccc(CNC[C@@H](C)C[NH3+])s2)cc1 ZINC000414874211 380468873 /nfs/dbraw/zinc/46/88/73/380468873.db2.gz INMBVWZVZJZINO-ZDUSSCGKSA-N 1 3 274.433 3.408 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCC1 ZINC000414876659 380470558 /nfs/dbraw/zinc/47/05/58/380470558.db2.gz LWSYWXCKXJMSLJ-NSHDSACASA-N 1 3 286.341 3.107 20 0 CGADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000414874817 380470590 /nfs/dbraw/zinc/47/05/90/380470590.db2.gz ZJWWMSPBJYCGCV-RANZSIQMSA-N 1 3 272.436 3.300 20 0 CGADHO Clc1ccc(CCCC[NH2+][C@@H]2CCNC2)cc1Cl ZINC000414889107 380475672 /nfs/dbraw/zinc/47/56/72/380475672.db2.gz STWPGSIUJFPYKQ-GFCCVEGCSA-N 1 3 287.234 3.268 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000414889921 380476601 /nfs/dbraw/zinc/47/66/01/380476601.db2.gz LXEGWISMNVRANL-ARFHVFGLSA-N 1 3 278.827 3.303 20 0 CGADHO N[C@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000414895195 380477476 /nfs/dbraw/zinc/47/74/76/380477476.db2.gz MVGMONHSIYXKAH-OAHLLOKOSA-N 1 3 272.417 3.242 20 0 CGADHO C/C(=C/c1ccccc1)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000644843068 380527891 /nfs/dbraw/zinc/52/78/91/380527891.db2.gz MEYBECYZGOOQHH-XOQYZJNISA-N 1 3 270.420 3.118 20 0 CGADHO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000644843068 380527896 /nfs/dbraw/zinc/52/78/96/380527896.db2.gz MEYBECYZGOOQHH-XOQYZJNISA-N 1 3 270.420 3.118 20 0 CGADHO C[C@@H](NCC1=CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000645854116 380753560 /nfs/dbraw/zinc/75/35/60/380753560.db2.gz VKTYLXRARXIWEA-GDBMZVCRSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H](NCC1=CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854116 380753562 /nfs/dbraw/zinc/75/35/62/380753562.db2.gz VKTYLXRARXIWEA-GDBMZVCRSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000645854116 380753565 /nfs/dbraw/zinc/75/35/65/380753565.db2.gz VKTYLXRARXIWEA-GDBMZVCRSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@H](NCCOCC1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419253271 380788335 /nfs/dbraw/zinc/78/83/35/380788335.db2.gz WNQFAIXLLHLJGK-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](NCCOCC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253271 380788339 /nfs/dbraw/zinc/78/83/39/380788339.db2.gz WNQFAIXLLHLJGK-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000419253271 380788344 /nfs/dbraw/zinc/78/83/44/380788344.db2.gz WNQFAIXLLHLJGK-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358811 380894640 /nfs/dbraw/zinc/89/46/40/380894640.db2.gz UYCSFCDGGHWBMC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358811 380894644 /nfs/dbraw/zinc/89/46/44/380894644.db2.gz UYCSFCDGGHWBMC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358811 380894647 /nfs/dbraw/zinc/89/46/47/380894647.db2.gz UYCSFCDGGHWBMC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358811 380894652 /nfs/dbraw/zinc/89/46/52/380894652.db2.gz UYCSFCDGGHWBMC-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000348315842 218569406 /nfs/dbraw/zinc/56/94/06/218569406.db2.gz IGJTUMPZSIDZBI-NUEKZKHPSA-N 1 3 294.414 3.168 20 0 CGADHO Clc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357048503 381011191 /nfs/dbraw/zinc/01/11/91/381011191.db2.gz KKXSWTBVOIYLGI-OAHLLOKOSA-N 1 3 278.827 3.162 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1C ZINC000334781886 207067045 /nfs/dbraw/zinc/06/70/45/207067045.db2.gz SNTAPBXPDVDSTQ-SJCJKPOMSA-N 1 3 285.435 3.215 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000334781886 207067048 /nfs/dbraw/zinc/06/70/48/207067048.db2.gz SNTAPBXPDVDSTQ-SJCJKPOMSA-N 1 3 285.435 3.215 20 0 CGADHO Cc1cnccc1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000358953432 381332874 /nfs/dbraw/zinc/33/28/74/381332874.db2.gz MWTVKHDKZPYWHB-JYJNAYRXSA-N 1 3 273.424 3.232 20 0 CGADHO CC[C@H](NCCC[N@H+](C)CCOC)c1ccc(Cl)cc1 ZINC000360044622 381423950 /nfs/dbraw/zinc/42/39/50/381423950.db2.gz GNRVTHPQYSPHCA-INIZCTEOSA-N 1 3 298.858 3.349 20 0 CGADHO CC[C@H](NCCC[N@@H+](C)CCOC)c1ccc(Cl)cc1 ZINC000360044622 381423954 /nfs/dbraw/zinc/42/39/54/381423954.db2.gz GNRVTHPQYSPHCA-INIZCTEOSA-N 1 3 298.858 3.349 20 0 CGADHO CC(C)CC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000361315612 381689609 /nfs/dbraw/zinc/68/96/09/381689609.db2.gz LOYMVFBWVZSXHL-BQFCYCMXSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361315612 381689620 /nfs/dbraw/zinc/68/96/20/381689620.db2.gz LOYMVFBWVZSXHL-BQFCYCMXSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315612 381689632 /nfs/dbraw/zinc/68/96/32/381689632.db2.gz LOYMVFBWVZSXHL-BQFCYCMXSA-N 1 3 296.499 3.026 20 0 CGADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CC[C@@H](CN)C1 ZINC000224202488 542289293 /nfs/dbraw/zinc/28/92/93/542289293.db2.gz XRQDPKPKQNRQTP-KGLIPLIRSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](CN)C1 ZINC000224202488 542289296 /nfs/dbraw/zinc/28/92/96/542289296.db2.gz XRQDPKPKQNRQTP-KGLIPLIRSA-N 1 3 254.377 3.181 20 0 CGADHO CC[C@H]1CN(Cc2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000251854483 542348652 /nfs/dbraw/zinc/34/86/52/542348652.db2.gz SDGLHKBUJIHJHU-DOTOQJQBSA-N 1 3 260.425 3.369 20 0 CGADHO Cc1ccncc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000279985934 194655662 /nfs/dbraw/zinc/65/56/62/194655662.db2.gz QUOOGSPXKZSQKF-HOTGVXAUSA-N 1 3 289.467 3.238 20 0 CGADHO CC[C@H]1CN(Cc2ccc3nc(C)ccc3c2)CC[C@H]1[NH3+] ZINC000252943537 542351912 /nfs/dbraw/zinc/35/19/12/542351912.db2.gz CXEXDYYURLASDV-DOTOQJQBSA-N 1 3 283.419 3.102 20 0 CGADHO CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435394426 285017204 /nfs/dbraw/zinc/01/72/04/285017204.db2.gz NGWJSTGEWZYUGZ-NVXWUHKLSA-N 1 3 290.451 3.263 20 0 CGADHO CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435394426 285017205 /nfs/dbraw/zinc/01/72/05/285017205.db2.gz NGWJSTGEWZYUGZ-NVXWUHKLSA-N 1 3 290.451 3.263 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753505 220304919 /nfs/dbraw/zinc/30/49/19/220304919.db2.gz XCJHFXYIUYFOGX-GXTWGEPZSA-N 1 3 252.427 3.053 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753505 220304922 /nfs/dbraw/zinc/30/49/22/220304922.db2.gz XCJHFXYIUYFOGX-GXTWGEPZSA-N 1 3 252.427 3.053 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753509 220306512 /nfs/dbraw/zinc/30/65/12/220306512.db2.gz XCJHFXYIUYFOGX-OCCSQVGLSA-N 1 3 252.427 3.053 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753509 220306514 /nfs/dbraw/zinc/30/65/14/220306514.db2.gz XCJHFXYIUYFOGX-OCCSQVGLSA-N 1 3 252.427 3.053 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000350510713 219031250 /nfs/dbraw/zinc/03/12/50/219031250.db2.gz IOFYWDSWYFXVAQ-QZTJIDSGSA-N 1 3 272.436 3.069 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC1 ZINC000350510713 219031252 /nfs/dbraw/zinc/03/12/52/219031252.db2.gz IOFYWDSWYFXVAQ-QZTJIDSGSA-N 1 3 272.436 3.069 20 0 CGADHO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC(C)(C)N)cc1 ZINC000423283187 533129974 /nfs/dbraw/zinc/12/99/74/533129974.db2.gz DVPSJXXFGWZFEI-GOSISDBHSA-N 1 3 298.430 3.306 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000423277517 533175797 /nfs/dbraw/zinc/17/57/97/533175797.db2.gz OIVYKZXDMZUKGM-KKBFJZEXSA-N 1 3 290.451 3.294 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cc(Cl)cc3cccnc32)C1 ZINC000334845153 542461966 /nfs/dbraw/zinc/46/19/66/542461966.db2.gz IAUJLHPFYCNSEA-GJZGRUSLSA-N 1 3 289.810 3.248 20 0 CGADHO CCN(CC[C@H](C)[N@H+](CC)CC1CC1)CC1CC1 ZINC000343748342 542501389 /nfs/dbraw/zinc/50/13/89/542501389.db2.gz WPOBDNQCYQUULI-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC[C@H](C)[N@@H+](CC)CC1CC1)CC1CC1 ZINC000343748342 542501394 /nfs/dbraw/zinc/50/13/94/542501394.db2.gz WPOBDNQCYQUULI-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CC[C@H]3C3CC3)CC2)ccn1 ZINC000348064444 542513049 /nfs/dbraw/zinc/51/30/49/542513049.db2.gz ABWDYBAPMQVWKH-ROUUACIJSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1csc(-c2ccccc2)n1 ZINC000423315522 533378269 /nfs/dbraw/zinc/37/82/69/533378269.db2.gz AWMUGHKAOPJESD-GFCCVEGCSA-N 1 3 275.421 3.200 20 0 CGADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1Br ZINC000423246049 533404283 /nfs/dbraw/zinc/40/42/83/533404283.db2.gz JRVNQHAWYQCBLC-VXGBXAGGSA-N 1 3 297.240 3.099 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423431315 533412497 /nfs/dbraw/zinc/41/24/97/533412497.db2.gz ITYJHKPCWZNKLJ-XOKHGSTOSA-N 1 3 288.435 3.042 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310694 533412753 /nfs/dbraw/zinc/41/27/53/533412753.db2.gz ASNGIFULXVMGSM-NOZJJQNGSA-N 1 3 272.314 3.093 20 0 CGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000423499265 533509453 /nfs/dbraw/zinc/50/94/53/533509453.db2.gz JGZFKLLLDNXISE-PBHICJAKSA-N 1 3 269.392 3.212 20 0 CGADHO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367591 533567916 /nfs/dbraw/zinc/56/79/16/533567916.db2.gz CVVQTKBDTANONL-HNNXBMFYSA-N 1 3 295.430 3.186 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000363945039 533607763 /nfs/dbraw/zinc/60/77/63/533607763.db2.gz JBJJPSBGZDPBGT-HLLBOEOZSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCSC2)CC1 ZINC000363945039 533607767 /nfs/dbraw/zinc/60/77/67/533607767.db2.gz JBJJPSBGZDPBGT-HLLBOEOZSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414922840 542640228 /nfs/dbraw/zinc/64/02/28/542640228.db2.gz HJMHHHOPOOINEE-HYVNUMGLSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414935202 542641170 /nfs/dbraw/zinc/64/11/70/542641170.db2.gz AWPWHTGDKXZFHD-BEFAXECRSA-N 1 3 280.415 3.441 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358799 392182685 /nfs/dbraw/zinc/18/26/85/392182685.db2.gz KEPMZGIOWOKLKM-FUHWJXTLSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358799 392182690 /nfs/dbraw/zinc/18/26/90/392182690.db2.gz KEPMZGIOWOKLKM-FUHWJXTLSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358799 392182694 /nfs/dbraw/zinc/18/26/94/392182694.db2.gz KEPMZGIOWOKLKM-FUHWJXTLSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877621 392350544 /nfs/dbraw/zinc/35/05/44/392350544.db2.gz QKLFMIAALWHUAX-KXBFYZLASA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877621 392350549 /nfs/dbraw/zinc/35/05/49/392350549.db2.gz QKLFMIAALWHUAX-KXBFYZLASA-N 1 3 295.430 3.178 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250811111 131127876 /nfs/dbraw/zinc/12/78/76/131127876.db2.gz LHLRPZVXQHIYDB-FPQWYMTMSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250811111 131127877 /nfs/dbraw/zinc/12/78/77/131127877.db2.gz LHLRPZVXQHIYDB-FPQWYMTMSA-N 1 3 270.420 3.149 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000361973898 392378807 /nfs/dbraw/zinc/37/88/07/392378807.db2.gz ZCVVBRSLHJVVSI-PBFPGSCMSA-N 1 3 276.399 3.275 20 0 CGADHO COc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1F ZINC000263650720 131301724 /nfs/dbraw/zinc/30/17/24/131301724.db2.gz BOHGITJBNABQBA-UHFFFAOYSA-N 1 3 294.414 3.139 20 0 CGADHO COc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1F ZINC000263650720 131301725 /nfs/dbraw/zinc/30/17/25/131301725.db2.gz BOHGITJBNABQBA-UHFFFAOYSA-N 1 3 294.414 3.139 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000126541289 392442941 /nfs/dbraw/zinc/44/29/41/392442941.db2.gz GUCGDTRULUMNKI-KBXCAEBGSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126541289 392442945 /nfs/dbraw/zinc/44/29/45/392442945.db2.gz GUCGDTRULUMNKI-KBXCAEBGSA-N 1 3 270.420 3.056 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000163266750 392605071 /nfs/dbraw/zinc/60/50/71/392605071.db2.gz COBMJNANGQVFGR-DOTOQJQBSA-N 1 3 288.435 3.140 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000178090794 392671683 /nfs/dbraw/zinc/67/16/83/392671683.db2.gz ZEPDHZDRQMHRQR-MQIPJXDCSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000178090794 392671685 /nfs/dbraw/zinc/67/16/85/392671685.db2.gz ZEPDHZDRQMHRQR-MQIPJXDCSA-N 1 3 278.827 3.400 20 0 CGADHO CC(C)C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccncc1 ZINC000647295509 392648801 /nfs/dbraw/zinc/64/88/01/392648801.db2.gz MYEPTYSFIBHMHG-QGZVFWFLSA-N 1 3 273.424 3.020 20 0 CGADHO Cc1cc(C[N@H+](C2CC2)C2CCNCC2)ccc1Cl ZINC000647482460 392737017 /nfs/dbraw/zinc/73/70/17/392737017.db2.gz HGKCLYZACDGVPU-UHFFFAOYSA-N 1 3 278.827 3.365 20 0 CGADHO Cc1cc(C[N@@H+](C2CC2)C2CCNCC2)ccc1Cl ZINC000647482460 392737020 /nfs/dbraw/zinc/73/70/20/392737020.db2.gz HGKCLYZACDGVPU-UHFFFAOYSA-N 1 3 278.827 3.365 20 0 CGADHO CC[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000647498980 392741997 /nfs/dbraw/zinc/74/19/97/392741997.db2.gz WHCGYCGEOVACEM-AEFFLSMTSA-N 1 3 295.430 3.308 20 0 CGADHO CC[C@@H]1CN(Cc2cc3ccccc3s2)CC[C@H]1[NH3+] ZINC000647498681 392742520 /nfs/dbraw/zinc/74/25/20/392742520.db2.gz MZORTZYENWBJQF-IUODEOHRSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@]1(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514208 392746203 /nfs/dbraw/zinc/74/62/03/392746203.db2.gz PLZZSQFIQJPJTD-LPHOPBHVSA-N 1 3 297.446 3.347 20 0 CGADHO C(CN1CCC[C@H](C[C@@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000375244454 392752790 /nfs/dbraw/zinc/75/27/90/392752790.db2.gz GPHQLMVHDXEJDN-MSOLQXFVSA-N 1 3 294.483 3.001 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492603 542708082 /nfs/dbraw/zinc/70/80/82/542708082.db2.gz PKHYUTCUMUQEEA-FUHWJXTLSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492603 542708084 /nfs/dbraw/zinc/70/80/84/542708084.db2.gz PKHYUTCUMUQEEA-FUHWJXTLSA-N 1 3 294.483 3.142 20 0 CGADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000647552670 392765479 /nfs/dbraw/zinc/76/54/79/392765479.db2.gz QJJBGHCDXGCFPC-ARFHVFGLSA-N 1 3 264.457 3.134 20 0 CGADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000647552670 392765481 /nfs/dbraw/zinc/76/54/81/392765481.db2.gz QJJBGHCDXGCFPC-ARFHVFGLSA-N 1 3 264.457 3.134 20 0 CGADHO Cc1ccccc1C1(N[C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000647801249 392803600 /nfs/dbraw/zinc/80/36/00/392803600.db2.gz SNEDYANQDMKACX-OAHLLOKOSA-N 1 3 295.430 3.497 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000510860781 392818369 /nfs/dbraw/zinc/81/83/69/392818369.db2.gz UGMOYNWLLNRMDR-MAUKXSAKSA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000510860781 392818371 /nfs/dbraw/zinc/81/83/71/392818371.db2.gz UGMOYNWLLNRMDR-MAUKXSAKSA-N 1 3 290.451 3.151 20 0 CGADHO Cc1ccc(CCC2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874430 392820892 /nfs/dbraw/zinc/82/08/92/392820892.db2.gz VNDRYNOPQGYKDI-LJQANCHMSA-N 1 3 286.463 3.249 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000647888120 392827482 /nfs/dbraw/zinc/82/74/82/392827482.db2.gz NJJKHEAWADOOBQ-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)(C)[C@H](NC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000647991956 392858568 /nfs/dbraw/zinc/85/85/68/392858568.db2.gz JGJTXFAYCDRMCE-IUODEOHRSA-N 1 3 264.388 3.112 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000193413283 392876098 /nfs/dbraw/zinc/87/60/98/392876098.db2.gz ZKDKGRMYMWXNTL-HNNXBMFYSA-N 1 3 260.425 3.034 20 0 CGADHO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184853 392929214 /nfs/dbraw/zinc/92/92/14/392929214.db2.gz CMQCNCLTRRAUJR-IAGOWNOFSA-N 1 3 264.457 3.443 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000415006620 393091577 /nfs/dbraw/zinc/09/15/77/393091577.db2.gz KSHCLGWFJVOAPZ-QWRGUYRKSA-N 1 3 278.396 3.380 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000415011546 393095065 /nfs/dbraw/zinc/09/50/65/393095065.db2.gz QRYBHKIATBRODP-NEPJUHHUSA-N 1 3 260.406 3.240 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(F)c(-c2cccs2)c1)[C@H](C)N ZINC000415012617 393095537 /nfs/dbraw/zinc/09/55/37/393095537.db2.gz SVNBYGIIYYKDPR-WDEREUQCSA-N 1 3 278.396 3.380 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1ccc(Cl)cc1F ZINC000415015629 393097099 /nfs/dbraw/zinc/09/70/99/393097099.db2.gz OMACDAQACHLKDM-JTQLQIEISA-N 1 3 258.768 3.086 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414775955 393054769 /nfs/dbraw/zinc/05/47/69/393054769.db2.gz WHWWLILXAHWVOE-NEPXVJNWSA-N 1 3 284.447 3.038 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000577528085 542764782 /nfs/dbraw/zinc/76/47/82/542764782.db2.gz CVFPWKVIYKLDFO-IAGOWNOFSA-N 1 3 274.452 3.386 20 0 CGADHO CC(C)(C)c1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577528085 542764785 /nfs/dbraw/zinc/76/47/85/542764785.db2.gz CVFPWKVIYKLDFO-IAGOWNOFSA-N 1 3 274.452 3.386 20 0 CGADHO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964444 393068628 /nfs/dbraw/zinc/06/86/28/393068628.db2.gz YLMLDXYWGGVHHS-GUYCJALGSA-N 1 3 254.377 3.070 20 0 CGADHO CC[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)c1ccccc1 ZINC000414963246 393068644 /nfs/dbraw/zinc/06/86/44/393068644.db2.gz CYXHAWKDBIGNSX-GOEBONIOSA-N 1 3 260.425 3.158 20 0 CGADHO Fc1ccc2nc(CNCCC[C@H]3CCC[NH2+]3)sc2c1 ZINC000414963538 393068799 /nfs/dbraw/zinc/06/87/99/393068799.db2.gz KXXBVBQLNCBHBV-LBPRGKRZSA-N 1 3 293.411 3.057 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCNCC1(C)C ZINC000414967210 393070651 /nfs/dbraw/zinc/07/06/51/393070651.db2.gz HCRPZOVPVPWMJM-NVXWUHKLSA-N 1 3 274.452 3.233 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CCO1 ZINC000648510802 393072568 /nfs/dbraw/zinc/07/25/68/393072568.db2.gz XVJWBXKNEHZYFY-BVIKNXMNSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1ncsc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415053709 393114901 /nfs/dbraw/zinc/11/49/01/393114901.db2.gz MRQNYHZXTXLPKA-CQSZACIVSA-N 1 3 275.421 3.021 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CCCNC1CC1 ZINC000415068268 393126078 /nfs/dbraw/zinc/12/60/78/393126078.db2.gz MEBGOZDJCKKMHP-LLVKDONJSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NCCC[NH2+]C1CC1 ZINC000415068268 393126081 /nfs/dbraw/zinc/12/60/81/393126081.db2.gz MEBGOZDJCKKMHP-LLVKDONJSA-N 1 3 286.872 3.454 20 0 CGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCCC[NH3+] ZINC000415074980 393131427 /nfs/dbraw/zinc/13/14/27/393131427.db2.gz DIVYRJHDBLXONY-GFCCVEGCSA-N 1 3 289.448 3.426 20 0 CGADHO COc1cccc(F)c1[C@@H](C)NC1CCC(C[NH3+])CC1 ZINC000415078133 393131995 /nfs/dbraw/zinc/13/19/95/393131995.db2.gz ILGCHBVMDBKIJK-PNESKVBLSA-N 1 3 280.387 3.002 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H](N[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000415080488 393133743 /nfs/dbraw/zinc/13/37/43/393133743.db2.gz YPBHJTLXDFEAKK-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO CC(C)([NH3+])CNCCCOc1ccc(Cl)cc1Cl ZINC000415090110 393140762 /nfs/dbraw/zinc/14/07/62/393140762.db2.gz ZYUZPSHWGNXTHD-UHFFFAOYSA-N 1 3 291.222 3.089 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H](C)Cc1cccs1 ZINC000415089866 393141176 /nfs/dbraw/zinc/14/11/76/393141176.db2.gz YICKNQUDOKMGNU-BFHYXJOUSA-N 1 3 266.454 3.047 20 0 CGADHO Fc1cccc(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415094096 393143583 /nfs/dbraw/zinc/14/35/83/393143583.db2.gz WOVJFXWDKGIPGV-KURKYZTESA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136209 393144858 /nfs/dbraw/zinc/14/48/58/393144858.db2.gz YSQFDDWYMZCFCQ-HOCLYGCPSA-N 1 3 278.465 3.122 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136209 393144864 /nfs/dbraw/zinc/14/48/64/393144864.db2.gz YSQFDDWYMZCFCQ-HOCLYGCPSA-N 1 3 278.465 3.122 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000469847254 393219707 /nfs/dbraw/zinc/21/97/07/393219707.db2.gz UYUGETGZIYBBNY-NSCUHMNNSA-N 1 3 294.389 3.300 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000355205874 393257698 /nfs/dbraw/zinc/25/76/98/393257698.db2.gz KTCUSYZOLFTIDE-YDZRNGNQSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000355205874 393257709 /nfs/dbraw/zinc/25/77/09/393257709.db2.gz KTCUSYZOLFTIDE-YDZRNGNQSA-N 1 3 284.447 3.206 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000277305591 393308751 /nfs/dbraw/zinc/30/87/51/393308751.db2.gz UJLFENLQMCEMHN-NVXWUHKLSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000277305591 393308755 /nfs/dbraw/zinc/30/87/55/393308755.db2.gz UJLFENLQMCEMHN-NVXWUHKLSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](CN1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305591 393308759 /nfs/dbraw/zinc/30/87/59/393308759.db2.gz UJLFENLQMCEMHN-NVXWUHKLSA-N 1 3 260.425 3.206 20 0 CGADHO CC(C)C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472585249 393336561 /nfs/dbraw/zinc/33/65/61/393336561.db2.gz XDSLCKCLHBCQAR-MRXNPFEDSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472585249 393336564 /nfs/dbraw/zinc/33/65/64/393336564.db2.gz XDSLCKCLHBCQAR-MRXNPFEDSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1ccncc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000279985940 393337200 /nfs/dbraw/zinc/33/72/00/393337200.db2.gz QUOOGSPXKZSQKF-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO Cc1ccncc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000279985940 393337210 /nfs/dbraw/zinc/33/72/10/393337210.db2.gz QUOOGSPXKZSQKF-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO CSC1(C[NH2+]CC[C@@H](C)N2CCCCC2)CCC1 ZINC000356431172 393442344 /nfs/dbraw/zinc/44/23/44/393442344.db2.gz DJHRMQIZQGOUCL-CQSZACIVSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@H]([NH3+])C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000420296723 393452908 /nfs/dbraw/zinc/45/29/08/393452908.db2.gz QSHOSXXVFPDXCS-ZBEGNZNMSA-N 1 3 278.827 3.387 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000420299581 393455428 /nfs/dbraw/zinc/45/54/28/393455428.db2.gz GWIONOPKWUCBEL-CRAIPNDOSA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000420299581 393455433 /nfs/dbraw/zinc/45/54/33/393455433.db2.gz GWIONOPKWUCBEL-CRAIPNDOSA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(C)[C@H](C)c2ccccc2)cc1 ZINC000420299581 393455437 /nfs/dbraw/zinc/45/54/37/393455437.db2.gz GWIONOPKWUCBEL-CRAIPNDOSA-N 1 3 298.430 3.431 20 0 CGADHO c1csc([C@H]2CCCCN2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420310839 393459284 /nfs/dbraw/zinc/45/92/84/393459284.db2.gz GGIYZPORHYTZBW-ZIAGYGMSSA-N 1 3 279.453 3.060 20 0 CGADHO CCC[N@H+](Cc1cccc(CC)c1)C1CCNCC1 ZINC000420319174 393464017 /nfs/dbraw/zinc/46/40/17/393464017.db2.gz OXAQJRREARYCPY-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCC[N@@H+](Cc1cccc(CC)c1)C1CCNCC1 ZINC000420319174 393464023 /nfs/dbraw/zinc/46/40/23/393464023.db2.gz OXAQJRREARYCPY-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCN(Cc1cccc(CC)c1)C1CC[NH2+]CC1 ZINC000420319174 393464029 /nfs/dbraw/zinc/46/40/29/393464029.db2.gz OXAQJRREARYCPY-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429543524 393477429 /nfs/dbraw/zinc/47/74/29/393477429.db2.gz WPELWCSXPBKARS-QZTJIDSGSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429543524 393477435 /nfs/dbraw/zinc/47/74/35/393477435.db2.gz WPELWCSXPBKARS-QZTJIDSGSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@H](c1ccccc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543524 393477440 /nfs/dbraw/zinc/47/74/40/393477440.db2.gz WPELWCSXPBKARS-QZTJIDSGSA-N 1 3 290.451 3.180 20 0 CGADHO CC[C@@H]1C[C@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980352 393503661 /nfs/dbraw/zinc/50/36/61/393503661.db2.gz SQWVECWDNDYYIQ-KZNAEPCWSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)CCO1 ZINC000356980352 393503668 /nfs/dbraw/zinc/50/36/68/393503668.db2.gz SQWVECWDNDYYIQ-KZNAEPCWSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N3CCCC3)CC2)CCO1 ZINC000356980352 393503673 /nfs/dbraw/zinc/50/36/73/393503673.db2.gz SQWVECWDNDYYIQ-KZNAEPCWSA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)C1CC([NH2+]Cc2cccc(CN(C)C)c2)C1 ZINC000488456679 393522035 /nfs/dbraw/zinc/52/20/35/393522035.db2.gz ICQKPGPVHZSODL-UHFFFAOYSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000629524719 542782864 /nfs/dbraw/zinc/78/28/64/542782864.db2.gz USWHTDVLAOJDPI-AWEZNQCLSA-N 1 3 290.451 3.143 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000623657528 542780622 /nfs/dbraw/zinc/78/06/22/542780622.db2.gz SVMKPQUIADQKIB-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO NC1(C[NH2+]Cc2ccccc2C2CC2)CCCCC1 ZINC000666802267 542816750 /nfs/dbraw/zinc/81/67/50/542816750.db2.gz VCKZWGIPBNFRME-UHFFFAOYSA-N 1 3 258.409 3.315 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCNCC1)CC1CCCCC1 ZINC000666856534 542820806 /nfs/dbraw/zinc/82/08/06/542820806.db2.gz NVVMFIXQVPXWRV-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCCNCC2)c1 ZINC000666858012 542821447 /nfs/dbraw/zinc/82/14/47/542821447.db2.gz STXMODUVLNOLJD-RDJZCZTQSA-N 1 3 260.425 3.048 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000360838947 393595518 /nfs/dbraw/zinc/59/55/18/393595518.db2.gz FKBZGBJFDVYVAI-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000360838947 393595520 /nfs/dbraw/zinc/59/55/20/393595520.db2.gz FKBZGBJFDVYVAI-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000360838946 393595929 /nfs/dbraw/zinc/59/59/29/393595929.db2.gz FKBZGBJFDVYVAI-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000360838946 393595933 /nfs/dbraw/zinc/59/59/33/393595933.db2.gz FKBZGBJFDVYVAI-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000360862896 393601042 /nfs/dbraw/zinc/60/10/42/393601042.db2.gz XRKFWAFWOAHNOF-YOEHRIQHSA-N 1 3 278.440 3.466 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCCOc1ccc2ccccc2c1 ZINC000430584359 393578936 /nfs/dbraw/zinc/57/89/36/393578936.db2.gz OFBRRWFWPBZYQC-SFHVURJKSA-N 1 3 286.419 3.182 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000489877509 393618767 /nfs/dbraw/zinc/61/87/67/393618767.db2.gz XPJUZXNKAWXPFZ-HNNXBMFYSA-N 1 3 296.405 3.314 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000489877509 393618772 /nfs/dbraw/zinc/61/87/72/393618772.db2.gz XPJUZXNKAWXPFZ-HNNXBMFYSA-N 1 3 296.405 3.314 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000422848002 393643575 /nfs/dbraw/zinc/64/35/75/393643575.db2.gz JCSPRKOVUHLJOE-XUXIUFHCSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)[C@H]1CCCN1 ZINC000422811212 393643779 /nfs/dbraw/zinc/64/37/79/393643779.db2.gz OTEWAWDKHAQHDA-YWPUVAFDSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000423020500 393647116 /nfs/dbraw/zinc/64/71/16/393647116.db2.gz BSNLPSLTUGYWPO-SOUVJXGZSA-N 1 3 262.441 3.456 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423020500 393647121 /nfs/dbraw/zinc/64/71/21/393647121.db2.gz BSNLPSLTUGYWPO-SOUVJXGZSA-N 1 3 262.441 3.456 20 0 CGADHO C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000422994170 393647474 /nfs/dbraw/zinc/64/74/74/393647474.db2.gz USRRENNXOPMLTG-JJRVBVJISA-N 1 3 272.436 3.387 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)[C@@H]1CCCNC1 ZINC000422994170 393647479 /nfs/dbraw/zinc/64/74/79/393647479.db2.gz USRRENNXOPMLTG-JJRVBVJISA-N 1 3 272.436 3.387 20 0 CGADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220351 393654687 /nfs/dbraw/zinc/65/46/87/393654687.db2.gz YEYPDKZPKPPQLD-CKEIUWERSA-N 1 3 258.409 3.214 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423278859 393659121 /nfs/dbraw/zinc/65/91/21/393659121.db2.gz REDOMVOLOSBZAB-WXHSDQCUSA-N 1 3 252.427 3.259 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cc2c(s1)CCC2 ZINC000423285834 393659328 /nfs/dbraw/zinc/65/93/28/393659328.db2.gz YUVFVWOYNOUKAT-UBHSHLNASA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1cc2c(s1)CCC2 ZINC000423285834 393659330 /nfs/dbraw/zinc/65/93/30/393659330.db2.gz YUVFVWOYNOUKAT-UBHSHLNASA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1nccc2ccccc21 ZINC000423376333 393663785 /nfs/dbraw/zinc/66/37/85/393663785.db2.gz VAWOUHRAOOAMEX-QEJZJMRPSA-N 1 3 269.392 3.155 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000423388462 393665289 /nfs/dbraw/zinc/66/52/89/393665289.db2.gz NQEOJWHSCKAYQU-PBFPGSCMSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CCN1 ZINC000423396587 393665356 /nfs/dbraw/zinc/66/53/56/393665356.db2.gz UHIVIDXGJGOJPG-ZOMKSWQUSA-N 1 3 258.409 3.355 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423451366 393667422 /nfs/dbraw/zinc/66/74/22/393667422.db2.gz UUMXMPMHIYLIDQ-BHDSKKPTSA-N 1 3 297.240 3.152 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000445414666 393793442 /nfs/dbraw/zinc/79/34/42/393793442.db2.gz YYVRGRVYZFHSBA-GOEBONIOSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000445414666 393793446 /nfs/dbraw/zinc/79/34/46/393793446.db2.gz YYVRGRVYZFHSBA-GOEBONIOSA-N 1 3 252.446 3.085 20 0 CGADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000449433756 393881330 /nfs/dbraw/zinc/88/13/30/393881330.db2.gz NRUSUZSMFHCKFF-WCVJEAGWSA-N 1 3 250.430 3.029 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995525 542834134 /nfs/dbraw/zinc/83/41/34/542834134.db2.gz QFLQEINDUWKHJE-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCCCCC1 ZINC000666997157 542834633 /nfs/dbraw/zinc/83/46/33/542834633.db2.gz ZKURANIKMVLCSN-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO Cc1cccc(C[NH2+][C@H]2CCNC3(CCC3)C2)c1C ZINC000666999544 542835255 /nfs/dbraw/zinc/83/52/55/542835255.db2.gz UVZJYMVSLUFEKB-INIZCTEOSA-N 1 3 258.409 3.068 20 0 CGADHO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000548488575 289008929 /nfs/dbraw/zinc/00/89/29/289008929.db2.gz PFBNASNQCXSQML-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccncc1 ZINC000453116948 394177340 /nfs/dbraw/zinc/17/73/40/394177340.db2.gz IJGGXUWBNSFWOK-HOTGVXAUSA-N 1 3 277.456 3.489 20 0 CGADHO CCn1ccnc1[C@H](C)N[C@@H](C)CCC[NH+](CC)CC ZINC000453052805 394153797 /nfs/dbraw/zinc/15/37/97/394153797.db2.gz DIBMYUVLCSOJPK-GJZGRUSLSA-N 1 3 280.460 3.064 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453059035 394156427 /nfs/dbraw/zinc/15/64/27/394156427.db2.gz AMHRFEUEIXBHAF-GOSISDBHSA-N 1 3 272.436 3.417 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccncc1 ZINC000453068433 394160737 /nfs/dbraw/zinc/16/07/37/394160737.db2.gz AHGPSCWYNMANBN-WBVHZDCISA-N 1 3 275.440 3.387 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccncc1 ZINC000453105517 394172811 /nfs/dbraw/zinc/17/28/11/394172811.db2.gz HSOGTMIIZJNKRS-RDJZCZTQSA-N 1 3 275.440 3.243 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2cc3ccncc3s2)CC1 ZINC000667597332 542896243 /nfs/dbraw/zinc/89/62/43/542896243.db2.gz JUPBBESRXUDNCH-UHFFFAOYSA-N 1 3 289.448 3.070 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2cc3ccncc3s2)CC1 ZINC000667597332 542896246 /nfs/dbraw/zinc/89/62/46/542896246.db2.gz JUPBBESRXUDNCH-UHFFFAOYSA-N 1 3 289.448 3.070 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000667923754 542945976 /nfs/dbraw/zinc/94/59/76/542945976.db2.gz VCQJBZZLZFHJLT-NJAFHUGGSA-N 1 3 285.435 3.076 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667928241 542946720 /nfs/dbraw/zinc/94/67/20/542946720.db2.gz UGYYIMZVWZPQAQ-IKGGRYGDSA-N 1 3 258.409 3.026 20 0 CGADHO COC(C)(C)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336844996 292054902 /nfs/dbraw/zinc/05/49/02/292054902.db2.gz LLQWOAKHNVUYAV-IAGOWNOFSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336844996 292054904 /nfs/dbraw/zinc/05/49/04/292054904.db2.gz LLQWOAKHNVUYAV-IAGOWNOFSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000336844996 292054906 /nfs/dbraw/zinc/05/49/06/292054906.db2.gz LLQWOAKHNVUYAV-IAGOWNOFSA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000336844996 292054908 /nfs/dbraw/zinc/05/49/08/292054908.db2.gz LLQWOAKHNVUYAV-IAGOWNOFSA-N 1 3 296.499 3.388 20 0 CGADHO Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000037916142 397609804 /nfs/dbraw/zinc/60/98/04/397609804.db2.gz JTFXPRLYXLVHTH-ROUUACIJSA-N 1 3 272.436 3.267 20 0 CGADHO CC[C@H](OCCN[C@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710519 397898094 /nfs/dbraw/zinc/89/80/94/397898094.db2.gz QOVFQFVIVXZRET-NJAFHUGGSA-N 1 3 290.451 3.275 20 0 CGADHO CC[C@H](OCCN[C@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710520 397898118 /nfs/dbraw/zinc/89/81/18/397898118.db2.gz QOVFQFVIVXZRET-NXHRZFHOSA-N 1 3 290.451 3.275 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCCOc2ccccc2)[C@@H]1CCN ZINC000650711860 397899291 /nfs/dbraw/zinc/89/92/91/397899291.db2.gz GQSQEHVVZVTZLG-SJLPKXTDSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)[C@@H]1CCN ZINC000650711860 397899294 /nfs/dbraw/zinc/89/92/94/397899294.db2.gz GQSQEHVVZVTZLG-SJLPKXTDSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H](Cc1ccsc1)NCc1ccc(C[NH3+])cc1F ZINC000650717445 397901089 /nfs/dbraw/zinc/90/10/89/397901089.db2.gz AQDNWUOPWYSYAV-LLVKDONJSA-N 1 3 278.396 3.067 20 0 CGADHO C[C@H](CCC(F)(F)F)NCc1ccc(C[NH3+])cc1F ZINC000650717556 397901169 /nfs/dbraw/zinc/90/11/69/397901169.db2.gz FGVQIVGIHFOAFA-SECBINFHSA-N 1 3 278.293 3.105 20 0 CGADHO Cc1ccccc1C1(N[C@@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000650739992 397904366 /nfs/dbraw/zinc/90/43/66/397904366.db2.gz DKZMBEXMCZZRLX-HOTGVXAUSA-N 1 3 272.436 3.352 20 0 CGADHO C[C@@H](NCC1(c2ccccc2F)CCC1)[C@H]1CCC[NH2+]C1 ZINC000650740822 397904388 /nfs/dbraw/zinc/90/43/88/397904388.db2.gz SEJHRZOSLJBKOI-CABCVRRESA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]([NH2+]CC1(c2ccccc2F)CCC1)[C@H]1CCCNC1 ZINC000650740822 397904390 /nfs/dbraw/zinc/90/43/90/397904390.db2.gz SEJHRZOSLJBKOI-CABCVRRESA-N 1 3 290.426 3.225 20 0 CGADHO CC[C@@H](OCC[NH2+][C@H](C)[C@@H]1CCCCN1)c1ccccc1 ZINC000650742174 397905177 /nfs/dbraw/zinc/90/51/77/397905177.db2.gz SINOBCWFLJOGTE-BPQIPLTHSA-N 1 3 290.451 3.275 20 0 CGADHO [NH3+]CC1(CCN[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000650747417 397906598 /nfs/dbraw/zinc/90/65/98/397906598.db2.gz ZXLZAXWOEJJOPQ-QGZVFWFLSA-N 1 3 299.393 3.029 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000340491768 286011323 /nfs/dbraw/zinc/01/13/23/286011323.db2.gz QBYVPLHDXZCOIY-ZTFGCOKTSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000340491768 286011324 /nfs/dbraw/zinc/01/13/24/286011324.db2.gz QBYVPLHDXZCOIY-ZTFGCOKTSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)[C@H]1C ZINC000678222753 543495928 /nfs/dbraw/zinc/49/59/28/543495928.db2.gz UPHJOBMVGATKIT-HOTGVXAUSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)[C@H]1C ZINC000678222753 543495930 /nfs/dbraw/zinc/49/59/30/543495930.db2.gz UPHJOBMVGATKIT-HOTGVXAUSA-N 1 3 290.451 3.247 20 0 CGADHO CN(C)CCOc1ccc(C[NH+]2CCC(C)(C)CC2)cc1 ZINC000678234737 543498803 /nfs/dbraw/zinc/49/88/03/543498803.db2.gz PNWBOKDWYNTQSL-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340322 543515728 /nfs/dbraw/zinc/51/57/28/543515728.db2.gz SXYRXZPSDLSSAU-IEBWSBKVSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340322 543515731 /nfs/dbraw/zinc/51/57/31/543515731.db2.gz SXYRXZPSDLSSAU-IEBWSBKVSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340322 543515732 /nfs/dbraw/zinc/51/57/32/543515732.db2.gz SXYRXZPSDLSSAU-IEBWSBKVSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340322 543515735 /nfs/dbraw/zinc/51/57/35/543515735.db2.gz SXYRXZPSDLSSAU-IEBWSBKVSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338422 543516094 /nfs/dbraw/zinc/51/60/94/543516094.db2.gz CNDNEMWNCRXXOR-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338422 543516095 /nfs/dbraw/zinc/51/60/95/543516095.db2.gz CNDNEMWNCRXXOR-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO COCC(C)(C)CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000348323059 292193294 /nfs/dbraw/zinc/19/32/94/292193294.db2.gz JBLZEGQTIFGPNE-UHFFFAOYSA-N 1 3 284.488 3.292 20 0 CGADHO Clc1cccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000678581115 543537249 /nfs/dbraw/zinc/53/72/49/543537249.db2.gz RWHMBTWVIYASFK-SJORKVTESA-N 1 3 292.854 3.489 20 0 CGADHO Clc1cccc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678581115 543537250 /nfs/dbraw/zinc/53/72/50/543537250.db2.gz RWHMBTWVIYASFK-SJORKVTESA-N 1 3 292.854 3.489 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)CN1CCCC1 ZINC000222069191 286878943 /nfs/dbraw/zinc/87/89/43/286878943.db2.gz OYXIBQOUVOSHKM-UGUYLWEFSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)[C@H]1CCOC1 ZINC000343496505 287014153 /nfs/dbraw/zinc/01/41/53/287014153.db2.gz GHVOMKQZKOCIKI-CBZIJGRNSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)[C@H]1CCCN(C2CCC2)C1 ZINC000358468364 287050263 /nfs/dbraw/zinc/05/02/63/287050263.db2.gz NFUMJABGLCCTJY-QZWWFDLISA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089141445 165199356 /nfs/dbraw/zinc/19/93/56/165199356.db2.gz RYSGSTDNTHPRIG-XNRPHZJLSA-N 1 3 280.843 3.378 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089146063 165200385 /nfs/dbraw/zinc/20/03/85/165200385.db2.gz UYQMRGPNRYRFQN-QAPCUYQASA-N 1 3 268.404 3.447 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc2ccccc21 ZINC000089146063 165200391 /nfs/dbraw/zinc/20/03/91/165200391.db2.gz UYQMRGPNRYRFQN-QAPCUYQASA-N 1 3 268.404 3.447 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccccc1N(C)C ZINC000093941620 165343235 /nfs/dbraw/zinc/34/32/35/165343235.db2.gz IZJTUVKDGMDNSP-MRXNPFEDSA-N 1 3 289.467 3.279 20 0 CGADHO C[C@@H]1CN(CCC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000093844454 287119518 /nfs/dbraw/zinc/11/95/18/287119518.db2.gz VJHWAKQVEJXXMD-IYBDPMFKSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H]1CN(CCC2CC[NH+](CC(C)(C)C)CC2)C[C@H](C)O1 ZINC000093844467 287119793 /nfs/dbraw/zinc/11/97/93/287119793.db2.gz HVDIKOGWKKFEIY-HOTGVXAUSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1cncs1 ZINC000164621689 165483705 /nfs/dbraw/zinc/48/37/05/165483705.db2.gz BCUKGNAUIGKNAB-CQSZACIVSA-N 1 3 281.469 3.450 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546324 165815154 /nfs/dbraw/zinc/81/51/54/165815154.db2.gz KUNIWWLPRZXIDT-CABCVRRESA-N 1 3 284.403 3.091 20 0 CGADHO CCc1cccc(Cl)c1CN1CCC([C@H](C)[NH3+])CC1 ZINC000262014922 165846072 /nfs/dbraw/zinc/84/60/72/165846072.db2.gz VOTQQVPFJSDGNE-LBPRGKRZSA-N 1 3 280.843 3.462 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000116387779 287157330 /nfs/dbraw/zinc/15/73/30/287157330.db2.gz OHQOXKCFHVNMTG-FUHWJXTLSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](C[NH2+]CCC1CCCCC1)CN1CCCC1 ZINC000125096874 287239866 /nfs/dbraw/zinc/23/98/66/287239866.db2.gz ZFDUXUHRUUXCAI-OAHLLOKOSA-N 1 3 252.446 3.278 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000020128790 171016071 /nfs/dbraw/zinc/01/60/71/171016071.db2.gz NYELGTKREXCSOI-HNNXBMFYSA-N 1 3 276.424 3.222 20 0 CGADHO c1ccc2c(c1)SCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000020129070 171016236 /nfs/dbraw/zinc/01/62/36/171016236.db2.gz YXMMSDYKUPHMDN-OAHLLOKOSA-N 1 3 276.449 3.299 20 0 CGADHO CC(C)c1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408279 173184294 /nfs/dbraw/zinc/18/42/94/173184294.db2.gz DOAYAWIMSPMZJE-MRXNPFEDSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408279 173184295 /nfs/dbraw/zinc/18/42/95/173184295.db2.gz DOAYAWIMSPMZJE-MRXNPFEDSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408279 173184297 /nfs/dbraw/zinc/18/42/97/173184297.db2.gz DOAYAWIMSPMZJE-MRXNPFEDSA-N 1 3 272.436 3.384 20 0 CGADHO CCCN(Cc1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000037539032 173259362 /nfs/dbraw/zinc/25/93/62/173259362.db2.gz RSZRXLWEPBFDIV-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO CCC[N@H+](Cc1ccc(OCC)cc1)C1CCNCC1 ZINC000037539032 173259363 /nfs/dbraw/zinc/25/93/63/173259363.db2.gz RSZRXLWEPBFDIV-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO CCC[N@@H+](Cc1ccc(OCC)cc1)C1CCNCC1 ZINC000037539032 173259365 /nfs/dbraw/zinc/25/93/65/173259365.db2.gz RSZRXLWEPBFDIV-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)CN1CCCCC1 ZINC000038041788 174043554 /nfs/dbraw/zinc/04/35/54/174043554.db2.gz VEROZPDJAQSQDH-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CCOC[C@H](C)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000128684578 287316389 /nfs/dbraw/zinc/31/63/89/287316389.db2.gz LASGRMVIVGXRGC-HNNXBMFYSA-N 1 3 278.440 3.043 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000226352398 416521758 /nfs/dbraw/zinc/52/17/58/416521758.db2.gz TUGYYYVCOZOPJJ-JQWIXIFHSA-N 1 3 272.845 3.051 20 0 CGADHO Cc1ccsc1C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404422803 416553363 /nfs/dbraw/zinc/55/33/63/416553363.db2.gz JPGMTKLBZKQTQM-DGCLKSJQSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404422803 416553368 /nfs/dbraw/zinc/55/33/68/416553368.db2.gz JPGMTKLBZKQTQM-DGCLKSJQSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccsc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404422803 416553372 /nfs/dbraw/zinc/55/33/72/416553372.db2.gz JPGMTKLBZKQTQM-DGCLKSJQSA-N 1 3 252.427 3.006 20 0 CGADHO c1cc(C[N@H+]2CC=CCC2)ccc1CN1CC=CCC1 ZINC000679324050 543619069 /nfs/dbraw/zinc/61/90/69/543619069.db2.gz MTUYKGMSUARXCA-UHFFFAOYSA-N 1 3 268.404 3.210 20 0 CGADHO c1cc(C[N@@H+]2CC=CCC2)ccc1CN1CC=CCC1 ZINC000679324050 543619072 /nfs/dbraw/zinc/61/90/72/543619072.db2.gz MTUYKGMSUARXCA-UHFFFAOYSA-N 1 3 268.404 3.210 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470075 544076732 /nfs/dbraw/zinc/07/67/32/544076732.db2.gz OWJXFOUXACAFFC-WFASDCNBSA-N 1 3 282.378 3.396 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470075 544076735 /nfs/dbraw/zinc/07/67/35/544076735.db2.gz OWJXFOUXACAFFC-WFASDCNBSA-N 1 3 282.378 3.396 20 0 CGADHO Fc1ccc(/C=C\C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1F ZINC000352797267 227234097 /nfs/dbraw/zinc/23/40/97/227234097.db2.gz VZNUZAUKFCCOQR-DDGIKZQJSA-N 1 3 292.373 3.052 20 0 CGADHO CC[C@H](OCCN[C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000650741408 418936044 /nfs/dbraw/zinc/93/60/44/418936044.db2.gz CVJFQGDLNYLMGK-NXHRZFHOSA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)=CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956635 419046093 /nfs/dbraw/zinc/04/60/93/419046093.db2.gz LIIHMWFISAOKNP-MRXNPFEDSA-N 1 3 250.430 3.151 20 0 CGADHO CC(C)=CCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659956635 419046094 /nfs/dbraw/zinc/04/60/94/419046094.db2.gz LIIHMWFISAOKNP-MRXNPFEDSA-N 1 3 250.430 3.151 20 0 CGADHO CC(C)=CCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659956635 419046097 /nfs/dbraw/zinc/04/60/97/419046097.db2.gz LIIHMWFISAOKNP-MRXNPFEDSA-N 1 3 250.430 3.151 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCCC1)[C@@H](C)C2 ZINC000665247554 419090386 /nfs/dbraw/zinc/09/03/86/419090386.db2.gz FDPHMRXGFFPBGC-BBRMVZONSA-N 1 3 258.409 3.089 20 0 CGADHO CCC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(OC)cc1 ZINC000665249753 419091659 /nfs/dbraw/zinc/09/16/59/419091659.db2.gz YNIVOLPYFRXVRR-INIZCTEOSA-N 1 3 276.424 3.398 20 0 CGADHO Cc1cc([C@H](C)[NH2+]CC2(N)CCCC2)c(C)s1 ZINC000665249133 419091855 /nfs/dbraw/zinc/09/18/55/419091855.db2.gz KAERHQULXVENAG-NSHDSACASA-N 1 3 252.427 3.287 20 0 CGADHO C[C@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000665252568 419094325 /nfs/dbraw/zinc/09/43/25/419094325.db2.gz SVOMOGHQEFQIID-HVOFVXBASA-N 1 3 294.389 3.189 20 0 CGADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000665261424 419095078 /nfs/dbraw/zinc/09/50/78/419095078.db2.gz CDZUAZARYZUUKV-BFHYXJOUSA-N 1 3 256.409 3.025 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665271338 419098842 /nfs/dbraw/zinc/09/88/42/419098842.db2.gz LDLKLKSHDCHKHW-MKXGPGLRSA-N 1 3 299.462 3.157 20 0 CGADHO CO[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000665275980 419099609 /nfs/dbraw/zinc/09/96/09/419099609.db2.gz WOFWJAUTURXQQV-HYVNUMGLSA-N 1 3 282.472 3.092 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CCCN1 ZINC000665282731 419102563 /nfs/dbraw/zinc/10/25/63/419102563.db2.gz APCYGKICAWOMEK-KKOFPSKJSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000665282047 419103227 /nfs/dbraw/zinc/10/32/27/419103227.db2.gz POANIENTCCHKAY-BHYGNILZSA-N 1 3 275.440 3.071 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000665282047 419103232 /nfs/dbraw/zinc/10/32/32/419103232.db2.gz POANIENTCCHKAY-BHYGNILZSA-N 1 3 275.440 3.071 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000665281582 419103316 /nfs/dbraw/zinc/10/33/16/419103316.db2.gz HEJWRMGSJGIDNP-BRWVUGGUSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000665281582 419103320 /nfs/dbraw/zinc/10/33/20/419103320.db2.gz HEJWRMGSJGIDNP-BRWVUGGUSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000655853696 419121377 /nfs/dbraw/zinc/12/13/77/419121377.db2.gz XYEBDXCVXZNHOL-INIZCTEOSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000659977399 419050812 /nfs/dbraw/zinc/05/08/12/419050812.db2.gz XRJVCFCJWOENSC-ZIAGYGMSSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000659977399 419050815 /nfs/dbraw/zinc/05/08/15/419050815.db2.gz XRJVCFCJWOENSC-ZIAGYGMSSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000659977399 419050819 /nfs/dbraw/zinc/05/08/19/419050819.db2.gz XRJVCFCJWOENSC-ZIAGYGMSSA-N 1 3 276.415 3.332 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CS1 ZINC000655683666 419063407 /nfs/dbraw/zinc/06/34/07/419063407.db2.gz UGRFMMGLDRKPQR-VXGBXAGGSA-N 1 3 270.486 3.169 20 0 CGADHO C[C@@H]1CC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CS1 ZINC000655683666 419063411 /nfs/dbraw/zinc/06/34/11/419063411.db2.gz UGRFMMGLDRKPQR-VXGBXAGGSA-N 1 3 270.486 3.169 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCc2ccccc21 ZINC000656198343 419148107 /nfs/dbraw/zinc/14/81/07/419148107.db2.gz OBBCUHAGOMAZJS-SOLBZPMBSA-N 1 3 272.436 3.140 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000656198797 419148753 /nfs/dbraw/zinc/14/87/53/419148753.db2.gz UPGQTNCDZSKKJQ-JKSUJKDBSA-N 1 3 276.424 3.143 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000656197105 419148885 /nfs/dbraw/zinc/14/88/85/419148885.db2.gz FXEKGNLXMNKABY-MSOLQXFVSA-N 1 3 281.403 3.108 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662431 419180061 /nfs/dbraw/zinc/18/00/61/419180061.db2.gz KDKMVVDCDSZGLG-ZFWWWQNUSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662431 419180063 /nfs/dbraw/zinc/18/00/63/419180063.db2.gz KDKMVVDCDSZGLG-ZFWWWQNUSA-N 1 3 274.399 3.086 20 0 CGADHO CCCn1nccc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000657311551 419247285 /nfs/dbraw/zinc/24/72/85/419247285.db2.gz NMIIEFCTGMUPAR-INIZCTEOSA-N 1 3 292.471 3.037 20 0 CGADHO CCCn1nccc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000657311551 419247287 /nfs/dbraw/zinc/24/72/87/419247287.db2.gz NMIIEFCTGMUPAR-INIZCTEOSA-N 1 3 292.471 3.037 20 0 CGADHO Fc1cc(F)cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785538 419219136 /nfs/dbraw/zinc/21/91/36/419219136.db2.gz LQNVMWDPNYDSEM-HNNXBMFYSA-N 1 3 294.389 3.176 20 0 CGADHO CN1CC=C(C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657427829 419275945 /nfs/dbraw/zinc/27/59/45/419275945.db2.gz UTTHQLGJYIQFTD-UHFFFAOYSA-N 1 3 262.441 3.197 20 0 CGADHO Fc1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1F ZINC000657811470 419363089 /nfs/dbraw/zinc/36/30/89/419363089.db2.gz CROPODZVAQGGIS-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N ZINC000662242514 419370605 /nfs/dbraw/zinc/37/06/05/419370605.db2.gz AMQJNEAXGOQMKL-AHCXZYCDSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1N ZINC000662242514 419370609 /nfs/dbraw/zinc/37/06/09/419370609.db2.gz AMQJNEAXGOQMKL-AHCXZYCDSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000662242514 419370614 /nfs/dbraw/zinc/37/06/14/419370614.db2.gz AMQJNEAXGOQMKL-AHCXZYCDSA-N 1 3 272.436 3.239 20 0 CGADHO CCN(CCC(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662255139 419373957 /nfs/dbraw/zinc/37/39/57/419373957.db2.gz AJGXTSRFDOCVNX-UHFFFAOYSA-N 1 3 286.341 3.107 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CCCSCC2)CC(C)(C)N1 ZINC000657827302 419375083 /nfs/dbraw/zinc/37/50/83/419375083.db2.gz YYEUXBHDLNHPRA-LBPRGKRZSA-N 1 3 270.486 3.171 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCSc1cccc(Cl)c1 ZINC000662266366 419375607 /nfs/dbraw/zinc/37/56/07/419375607.db2.gz WUGFHYFHYCYQJY-NEPJUHHUSA-N 1 3 284.856 3.101 20 0 CGADHO C[C@@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267682 419378604 /nfs/dbraw/zinc/37/86/04/419378604.db2.gz XNCUKVGTKSKRGK-JOCBIADPSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267682 419378608 /nfs/dbraw/zinc/37/86/08/419378608.db2.gz XNCUKVGTKSKRGK-JOCBIADPSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267680 419379263 /nfs/dbraw/zinc/37/92/63/419379263.db2.gz XNCUKVGTKSKRGK-BURFUSLBSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267680 419379266 /nfs/dbraw/zinc/37/92/66/419379266.db2.gz XNCUKVGTKSKRGK-BURFUSLBSA-N 1 3 272.436 3.239 20 0 CGADHO CCC(CC)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663347496 419567699 /nfs/dbraw/zinc/56/76/99/419567699.db2.gz MDZVBZRPAVXEEQ-INIZCTEOSA-N 1 3 252.446 3.134 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000658168392 419634171 /nfs/dbraw/zinc/63/41/71/419634171.db2.gz WRHUHCCDHFRWGL-OTWHNJEPSA-N 1 3 299.462 3.072 20 0 CGADHO FC1(F)CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663343773 419570594 /nfs/dbraw/zinc/57/05/94/419570594.db2.gz FCHAXWTUKWLULB-AWEZNQCLSA-N 1 3 286.410 3.276 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464586 419615200 /nfs/dbraw/zinc/61/52/00/419615200.db2.gz DTUMHDLRUBVINW-PBHICJAKSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)C ZINC000663468919 419621720 /nfs/dbraw/zinc/62/17/20/419621720.db2.gz NIKTVCPPCOKZNO-CVEARBPZSA-N 1 3 252.446 3.133 20 0 CGADHO C([NH2+][C@H]1CCCC12CC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663467272 419622958 /nfs/dbraw/zinc/62/29/58/419622958.db2.gz ZTZGPFYXUGZXRT-CVEARBPZSA-N 1 3 262.441 3.031 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000658218774 419671108 /nfs/dbraw/zinc/67/11/08/419671108.db2.gz GJXLJFKDGRCDBD-CQSZACIVSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nccc2[nH]ccc21 ZINC000663741733 419699219 /nfs/dbraw/zinc/69/92/19/419699219.db2.gz OOXQBSPDVJNHFQ-CYBMUJFWSA-N 1 3 272.396 3.095 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H]1CNc1nccc2[nH]ccc21 ZINC000663741733 419699228 /nfs/dbraw/zinc/69/92/28/419699228.db2.gz OOXQBSPDVJNHFQ-CYBMUJFWSA-N 1 3 272.396 3.095 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C)c1 ZINC000663502758 419641561 /nfs/dbraw/zinc/64/15/61/419641561.db2.gz LKSQJFFFHXABAQ-NVXWUHKLSA-N 1 3 262.441 3.279 20 0 CGADHO Cc1cccc(CC[C@@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000663502758 419641567 /nfs/dbraw/zinc/64/15/67/419641567.db2.gz LKSQJFFFHXABAQ-NVXWUHKLSA-N 1 3 262.441 3.279 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)CN1CCCCC1 ZINC000225631337 287632982 /nfs/dbraw/zinc/63/29/82/287632982.db2.gz PPUOWDBTQKWQPY-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000521045269 260119266 /nfs/dbraw/zinc/11/92/66/260119266.db2.gz LWODYCJCAPRVFD-UGSOOPFHSA-N 1 3 266.388 3.168 20 0 CGADHO C[NH+](C)CCOCCNCc1ccc(-c2ccccc2)cc1 ZINC000318412019 261072848 /nfs/dbraw/zinc/07/28/48/261072848.db2.gz LAVJLTORFPLXET-UHFFFAOYSA-N 1 3 298.430 3.021 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221720789 262292509 /nfs/dbraw/zinc/29/25/09/262292509.db2.gz IUHGICLPCOYWAR-ZQIUZPCESA-N 1 3 260.425 3.382 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221720789 262292511 /nfs/dbraw/zinc/29/25/11/262292511.db2.gz IUHGICLPCOYWAR-ZQIUZPCESA-N 1 3 260.425 3.382 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534582 270036335 /nfs/dbraw/zinc/03/63/35/270036335.db2.gz CWXJTLXAWJUXOI-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534582 270036336 /nfs/dbraw/zinc/03/63/36/270036336.db2.gz CWXJTLXAWJUXOI-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000044516685 270036468 /nfs/dbraw/zinc/03/64/68/270036468.db2.gz MJRFAYCTBRZMDR-LLVKDONJSA-N 1 3 284.806 3.472 20 0 CGADHO CCC[C@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798239 270077907 /nfs/dbraw/zinc/07/79/07/270077907.db2.gz JDXFHHYSQVIFEC-SFHVURJKSA-N 1 3 295.515 3.057 20 0 CGADHO CCC[C@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798239 270077908 /nfs/dbraw/zinc/07/79/08/270077908.db2.gz JDXFHHYSQVIFEC-SFHVURJKSA-N 1 3 295.515 3.057 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000229574256 270088633 /nfs/dbraw/zinc/08/86/33/270088633.db2.gz ZIDDJGGWISOWQV-HUUCEWRRSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000229574256 270088634 /nfs/dbraw/zinc/08/86/34/270088634.db2.gz ZIDDJGGWISOWQV-HUUCEWRRSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000229574256 270088635 /nfs/dbraw/zinc/08/86/35/270088635.db2.gz ZIDDJGGWISOWQV-HUUCEWRRSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CNCC2(F)CC2)c1 ZINC000526983800 270124022 /nfs/dbraw/zinc/12/40/22/270124022.db2.gz VCLGMYVHIIBJOF-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CNCC2(F)CC2)c1 ZINC000526983800 270124023 /nfs/dbraw/zinc/12/40/23/270124023.db2.gz VCLGMYVHIIBJOF-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000527360854 270127741 /nfs/dbraw/zinc/12/77/41/270127741.db2.gz GUXVUSOVKPGJRZ-KBRIMQKVSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652634 270130943 /nfs/dbraw/zinc/13/09/43/270130943.db2.gz GJPHTRDGVRIOKY-OHFALNGGSA-N 1 3 264.457 3.131 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)[C@H]1CC12CC2 ZINC000527844390 270139295 /nfs/dbraw/zinc/13/92/95/270139295.db2.gz BMTDSQGOLJJOGM-QKPAOTATSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000530215758 270195781 /nfs/dbraw/zinc/19/57/81/270195781.db2.gz IRAOHOYSEUFNBC-QSPRXWTASA-N 1 3 270.420 3.053 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530220540 270196417 /nfs/dbraw/zinc/19/64/17/270196417.db2.gz OKFNXZAVYWKJMK-KKUMJFAQSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530220540 270196418 /nfs/dbraw/zinc/19/64/18/270196418.db2.gz OKFNXZAVYWKJMK-KKUMJFAQSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CCn1cccc1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000531390149 270206192 /nfs/dbraw/zinc/20/61/92/270206192.db2.gz XNXKFZYBVWWMJE-SJORKVTESA-N 1 3 291.483 3.497 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCCCC1)CCC2 ZINC000423175311 274132010 /nfs/dbraw/zinc/13/20/10/274132010.db2.gz DPKNRQYCOZILQK-KRWDZBQOSA-N 1 3 288.435 3.324 20 0 CGADHO C[C@@H](CN)C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414884648 274214268 /nfs/dbraw/zinc/21/42/68/274214268.db2.gz VYYOOCPOBVITHN-JTQLQIEISA-N 1 3 275.223 3.110 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Br)cc1 ZINC000424336291 274256713 /nfs/dbraw/zinc/25/67/13/274256713.db2.gz PYMUQQGGLOSFMW-LERXQTSPSA-N 1 3 297.240 3.370 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCc2cc(Br)ccc21)[C@H](C)N ZINC000423463138 274262205 /nfs/dbraw/zinc/26/22/05/274262205.db2.gz LCWWBRMOUHBCMZ-RBZYPMLTSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC000247181969 274394702 /nfs/dbraw/zinc/39/47/02/274394702.db2.gz ZEPDHZDRQMHRQR-WQGACYEGSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC000247181969 274394703 /nfs/dbraw/zinc/39/47/03/274394703.db2.gz ZEPDHZDRQMHRQR-WQGACYEGSA-N 1 3 278.827 3.400 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@H](C)CN(C)C)C(C)C)cc1 ZINC000425944826 274743545 /nfs/dbraw/zinc/74/35/45/274743545.db2.gz OHEQWFRGMKZLPQ-FUHWJXTLSA-N 1 3 276.468 3.349 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC000415041507 274953210 /nfs/dbraw/zinc/95/32/10/274953210.db2.gz PYNIACRPHQFSJX-VHSXEESVSA-N 1 3 273.207 3.210 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262398149 275069010 /nfs/dbraw/zinc/06/90/10/275069010.db2.gz CBEQWANIPUGVLW-HUUCEWRRSA-N 1 3 290.410 3.298 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000414805791 275738097 /nfs/dbraw/zinc/73/80/97/275738097.db2.gz PSJSWDMGHDYFNL-IAGOWNOFSA-N 1 3 260.425 3.070 20 0 CGADHO CC1(C)C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423404833 275868754 /nfs/dbraw/zinc/86/87/54/275868754.db2.gz XTWAYADZJYCNJZ-ZENOOKHLSA-N 1 3 258.409 3.269 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000245544894 276014011 /nfs/dbraw/zinc/01/40/11/276014011.db2.gz SUPPOKJAQMTIAX-HRCADAONSA-N 1 3 252.446 3.134 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414948662 276042481 /nfs/dbraw/zinc/04/24/81/276042481.db2.gz MNAJGGMLGBXMDH-DJIMGWMZSA-N 1 3 260.425 3.128 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450472618 276073076 /nfs/dbraw/zinc/07/30/76/276073076.db2.gz MASYWHFPDQUCPB-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450472618 276073078 /nfs/dbraw/zinc/07/30/78/276073078.db2.gz MASYWHFPDQUCPB-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472618 276073080 /nfs/dbraw/zinc/07/30/80/276073080.db2.gz MASYWHFPDQUCPB-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450472618 276073081 /nfs/dbraw/zinc/07/30/81/276073081.db2.gz MASYWHFPDQUCPB-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCS[C@@H]1CC[C@@H](N(C)CCC[NH+](CC)CC)C1 ZINC000351470266 276398873 /nfs/dbraw/zinc/39/88/73/276398873.db2.gz BHEDYKVIISPQDF-HUUCEWRRSA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@@H]1CC[C@@H]([N@H+](C)CCCN(CC)CC)C1 ZINC000351470266 276398875 /nfs/dbraw/zinc/39/88/75/276398875.db2.gz BHEDYKVIISPQDF-HUUCEWRRSA-N 1 3 272.502 3.324 20 0 CGADHO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCN(CC)CC)C1 ZINC000351470266 276398876 /nfs/dbraw/zinc/39/88/76/276398876.db2.gz BHEDYKVIISPQDF-HUUCEWRRSA-N 1 3 272.502 3.324 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1C[C@H]1C ZINC000414119804 276583331 /nfs/dbraw/zinc/58/33/31/276583331.db2.gz WXRXQMNQEOWTJP-COXVUDFISA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CCOCC1 ZINC000513336192 276583409 /nfs/dbraw/zinc/58/34/09/276583409.db2.gz WAMKTRWPKQBPGJ-SFHVURJKSA-N 1 3 294.483 3.188 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000271863484 277023571 /nfs/dbraw/zinc/02/35/71/277023571.db2.gz KZENFMDEUVNTFN-KRWDZBQOSA-N 1 3 274.383 3.055 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271345108 277078524 /nfs/dbraw/zinc/07/85/24/277078524.db2.gz XVIVQFWFPLDMHB-GJZGRUSLSA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271345108 277078525 /nfs/dbraw/zinc/07/85/25/277078525.db2.gz XVIVQFWFPLDMHB-GJZGRUSLSA-N 1 3 276.399 3.099 20 0 CGADHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1C[C@@H]1C ZINC000321084376 287945347 /nfs/dbraw/zinc/94/53/47/287945347.db2.gz MFZZGIMTDQCJAG-UBHSHLNASA-N 1 3 252.446 3.320 20 0 CGADHO COC[C@H](CC(C)C)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000480599949 277259729 /nfs/dbraw/zinc/25/97/29/277259729.db2.gz FBFDXNFFUHNGAT-ZACQAIPSSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000480599949 277259730 /nfs/dbraw/zinc/25/97/30/277259730.db2.gz FBFDXNFFUHNGAT-ZACQAIPSSA-N 1 3 284.488 3.005 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)CC1CCCCC1 ZINC000414826747 277587359 /nfs/dbraw/zinc/58/73/59/277587359.db2.gz JKUYAXCNNOLVIT-ZBFHGGJFSA-N 1 3 252.446 3.182 20 0 CGADHO CC/C=C\CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000342198982 278165599 /nfs/dbraw/zinc/16/55/99/278165599.db2.gz IIZNBMNWPCKHCD-JEZUCGJFSA-N 1 3 294.483 3.164 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC(C)(C)N1 ZINC000334275803 278191056 /nfs/dbraw/zinc/19/10/56/278191056.db2.gz CGUYPWCIEUCEOG-ZIAGYGMSSA-N 1 3 250.430 3.074 20 0 CGADHO CC1(C)CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252513525 278201125 /nfs/dbraw/zinc/20/11/25/278201125.db2.gz VWHUUTYKRHFOGL-CABCVRRESA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2c1cccc2Cl ZINC000422931185 278217888 /nfs/dbraw/zinc/21/78/88/278217888.db2.gz AXUFZSXXRGGQTA-IMSIIYSGSA-N 1 3 252.789 3.043 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCCC12CCC2 ZINC000423391382 278222495 /nfs/dbraw/zinc/22/24/95/278222495.db2.gz PGTPAWULJZZZHF-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)C[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423531308 278965071 /nfs/dbraw/zinc/96/50/71/278965071.db2.gz SIVUXQRRCILAQY-XXXXFFMBSA-N 1 3 264.457 3.164 20 0 CGADHO CC(C)C[C@@H](NCCC1CC[NH+](C)CC1)c1ccccn1 ZINC000125295673 279001545 /nfs/dbraw/zinc/00/15/45/279001545.db2.gz HPTZPHWLWHGWOA-GOSISDBHSA-N 1 3 289.467 3.490 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCc2ccc(F)cc21 ZINC000515164996 279082594 /nfs/dbraw/zinc/08/25/94/279082594.db2.gz HOVZSTQHQBUDHD-KPZWWZAWSA-N 1 3 299.393 3.326 20 0 CGADHO CCN(CC)CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000514244235 279096509 /nfs/dbraw/zinc/09/65/09/279096509.db2.gz FBFDOUYUEQFFLS-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000514244235 279096510 /nfs/dbraw/zinc/09/65/10/279096510.db2.gz FBFDOUYUEQFFLS-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@H]2COC(C)(C)C2)c1 ZINC000417877157 279138136 /nfs/dbraw/zinc/13/81/36/279138136.db2.gz NJWDRZWBLQOGOI-QGZVFWFLSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423161123 279255640 /nfs/dbraw/zinc/25/56/40/279255640.db2.gz NIZODPIAEMFZSM-SKDRFNHKSA-N 1 3 286.341 3.198 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423398264 279455188 /nfs/dbraw/zinc/45/51/88/279455188.db2.gz UGRUBIFXUJLXAW-YOEHRIQHSA-N 1 3 276.399 3.298 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423133530 279636699 /nfs/dbraw/zinc/63/66/99/279636699.db2.gz QJLRHWMWLFDLKM-IHRRRGAJSA-N 1 3 274.399 3.309 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCCN)cc1 ZINC000437793305 279728796 /nfs/dbraw/zinc/72/87/96/279728796.db2.gz CBCRTKFZPBUPBN-IAGOWNOFSA-N 1 3 276.424 3.048 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415134924 280239142 /nfs/dbraw/zinc/23/91/42/280239142.db2.gz WLAAAYPDXZIMCF-NJAFHUGGSA-N 1 3 274.452 3.343 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415134924 280239143 /nfs/dbraw/zinc/23/91/43/280239143.db2.gz WLAAAYPDXZIMCF-NJAFHUGGSA-N 1 3 274.452 3.343 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccnc1 ZINC000359327850 280333154 /nfs/dbraw/zinc/33/31/54/280333154.db2.gz XTOVTXLRRXHTPV-ZACQAIPSSA-N 1 3 275.440 3.241 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529537849 288260273 /nfs/dbraw/zinc/26/02/73/288260273.db2.gz HPKQEULBWLLBHB-QWHCGFSZSA-N 1 3 274.399 3.130 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211652 288300533 /nfs/dbraw/zinc/30/05/33/288300533.db2.gz PHPUAFFPXXHVGU-CABCVRRESA-N 1 3 272.417 3.385 20 0 CGADHO Cc1ccccc1C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346842078 281339271 /nfs/dbraw/zinc/33/92/71/281339271.db2.gz WLLJVSXSGRJDIA-MRXNPFEDSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346842078 281339274 /nfs/dbraw/zinc/33/92/74/281339274.db2.gz WLLJVSXSGRJDIA-MRXNPFEDSA-N 1 3 272.436 3.174 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090440 289257688 /nfs/dbraw/zinc/25/76/88/289257688.db2.gz RJPTXJKNCIJKMK-OEAJRASXSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090440 289257690 /nfs/dbraw/zinc/25/76/90/289257690.db2.gz RJPTXJKNCIJKMK-OEAJRASXSA-N 1 3 294.389 3.140 20 0 CGADHO CCC1CC([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000556585727 289399319 /nfs/dbraw/zinc/39/93/19/289399319.db2.gz IONYAKALPLWAAW-FXQLRMTLSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000089149210 290009891 /nfs/dbraw/zinc/00/98/91/290009891.db2.gz LTXXSOFHCYCWGA-ZKYQVNSYSA-N 1 3 286.341 3.483 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000422787452 290025449 /nfs/dbraw/zinc/02/54/49/290025449.db2.gz MBYYUFJSPUGTPU-NPJQDHAYSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCC12CCC2 ZINC000337411594 290387471 /nfs/dbraw/zinc/38/74/71/290387471.db2.gz WGNWIRDEWCRXBZ-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000422836226 293261572 /nfs/dbraw/zinc/26/15/72/293261572.db2.gz JQCKIYPUGIJUBY-WFASDCNBSA-N 1 3 261.413 3.078 20 0 CGADHO COc1ccc([C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000423400451 295246245 /nfs/dbraw/zinc/24/62/45/295246245.db2.gz VKIQVHWKAXJICU-HLLBOEOZSA-N 1 3 276.424 3.252 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C2CC2)cc1 ZINC000414800852 295248620 /nfs/dbraw/zinc/24/86/20/295248620.db2.gz LMOWTDUELNJRDD-IRXDYDNUSA-N 1 3 258.409 3.171 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)c2ccccc21 ZINC000422989854 295324584 /nfs/dbraw/zinc/32/45/84/295324584.db2.gz MHIJPEIOWIDWCG-LERXQTSPSA-N 1 3 266.335 3.299 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422845126 295332827 /nfs/dbraw/zinc/33/28/27/295332827.db2.gz NNNZZPKSQPWOND-DLBZAZTESA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422894958 295332920 /nfs/dbraw/zinc/33/29/20/295332920.db2.gz DRHZLLOWMHHEMT-JKSUJKDBSA-N 1 3 276.399 3.107 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000422731190 302589327 /nfs/dbraw/zinc/58/93/27/302589327.db2.gz NCAQFPJTFNLBJA-ALYFQZSWSA-N 1 3 275.440 3.324 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000162536700 321884476 /nfs/dbraw/zinc/88/44/76/321884476.db2.gz AKIBAIPGBSTWBR-HUUCEWRRSA-N 1 3 278.440 3.151 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000563951254 322016419 /nfs/dbraw/zinc/01/64/19/322016419.db2.gz UAAOTBFFXCLYOT-WBVHZDCISA-N 1 3 258.409 3.186 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)[C@@H](C)C2 ZINC000564212026 322023163 /nfs/dbraw/zinc/02/31/63/322023163.db2.gz OTFBNZGCDNIGLU-LIRRHRJNSA-N 1 3 280.415 3.477 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000564728897 322040543 /nfs/dbraw/zinc/04/05/43/322040543.db2.gz KWJAAUAEOQECAH-OALUTQOASA-N 1 3 286.463 3.249 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000564728897 322040544 /nfs/dbraw/zinc/04/05/44/322040544.db2.gz KWJAAUAEOQECAH-OALUTQOASA-N 1 3 286.463 3.249 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H]1CCCC[C@H]1C[NH3+] ZINC000566555747 322129400 /nfs/dbraw/zinc/12/94/00/322129400.db2.gz VCPPJCCYJZYQRX-JQFCIGGWSA-N 1 3 288.435 3.180 20 0 CGADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1CN ZINC000566555747 322129401 /nfs/dbraw/zinc/12/94/01/322129401.db2.gz VCPPJCCYJZYQRX-JQFCIGGWSA-N 1 3 288.435 3.180 20 0 CGADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000567462605 322164105 /nfs/dbraw/zinc/16/41/05/322164105.db2.gz UHDGATIZFNEBND-SJORKVTESA-N 1 3 260.425 3.220 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000567462605 322164107 /nfs/dbraw/zinc/16/41/07/322164107.db2.gz UHDGATIZFNEBND-SJORKVTESA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000569378434 322245759 /nfs/dbraw/zinc/24/57/59/322245759.db2.gz RCZIVGPZXACLPR-HOTGVXAUSA-N 1 3 276.424 3.014 20 0 CGADHO CC(C)COc1cccc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000571681270 322305169 /nfs/dbraw/zinc/30/51/69/322305169.db2.gz KFYQPMYYZDZJFI-UHFFFAOYSA-N 1 3 298.430 3.470 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000572272378 322328608 /nfs/dbraw/zinc/32/86/08/322328608.db2.gz LKEYNNZJCBKTRG-MSOLQXFVSA-N 1 3 274.452 3.475 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000572272378 322328609 /nfs/dbraw/zinc/32/86/09/322328609.db2.gz LKEYNNZJCBKTRG-MSOLQXFVSA-N 1 3 274.452 3.475 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000573981074 322416558 /nfs/dbraw/zinc/41/65/58/322416558.db2.gz IMXLZQMDSCWYAS-OWSLCNJRSA-N 1 3 288.435 3.075 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)[C@H]1CCCNC1 ZINC000574747791 322454915 /nfs/dbraw/zinc/45/49/15/322454915.db2.gz HUDFWANEXHLTAE-UAGQMJEPSA-N 1 3 272.436 3.084 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000576703600 335237172 /nfs/dbraw/zinc/23/71/72/335237172.db2.gz XYHDUVIESBZLEF-RDJZCZTQSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)[C@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000576703600 335237173 /nfs/dbraw/zinc/23/71/73/335237173.db2.gz XYHDUVIESBZLEF-RDJZCZTQSA-N 1 3 260.425 3.097 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718048 335239914 /nfs/dbraw/zinc/23/99/14/335239914.db2.gz PGHNWFJRODDRDA-QWHCGFSZSA-N 1 3 294.389 3.246 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718048 335239915 /nfs/dbraw/zinc/23/99/15/335239915.db2.gz PGHNWFJRODDRDA-QWHCGFSZSA-N 1 3 294.389 3.246 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000579342381 335736023 /nfs/dbraw/zinc/73/60/23/335736023.db2.gz JEXOTLPZBJOKSU-SNVBAGLBSA-N 1 3 268.763 3.049 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855828 336039738 /nfs/dbraw/zinc/03/97/38/336039738.db2.gz SSNKWZJCQDUXLN-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855828 336039739 /nfs/dbraw/zinc/03/97/39/336039739.db2.gz SSNKWZJCQDUXLN-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194855828 336039740 /nfs/dbraw/zinc/03/97/40/336039740.db2.gz SSNKWZJCQDUXLN-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)Cc1coc2ccccc12 ZINC000581800365 336146327 /nfs/dbraw/zinc/14/63/27/336146327.db2.gz FAECKUBKIPKSFX-CQSZACIVSA-N 1 3 274.408 3.342 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)CN(C)C ZINC000386450630 336175137 /nfs/dbraw/zinc/17/51/37/336175137.db2.gz DOVOXBXJTDDCOV-MNOVXSKESA-N 1 3 272.795 3.327 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000423327320 533835598 /nfs/dbraw/zinc/83/55/98/533835598.db2.gz MVQPPIYZSJXOFU-JTQLQIEISA-N 1 3 272.314 3.237 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368564341 533982355 /nfs/dbraw/zinc/98/23/55/533982355.db2.gz QXEDBOJTMYYEIK-JLSDUUJJSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368564341 533982360 /nfs/dbraw/zinc/98/23/60/533982360.db2.gz QXEDBOJTMYYEIK-JLSDUUJJSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000368564341 533982366 /nfs/dbraw/zinc/98/23/66/533982366.db2.gz QXEDBOJTMYYEIK-JLSDUUJJSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414857500 533988466 /nfs/dbraw/zinc/98/84/66/533988466.db2.gz PSILTNXHDOIJAP-FMKPAKJESA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)CN1CCCC1 ZINC000157535811 534076969 /nfs/dbraw/zinc/07/69/69/534076969.db2.gz LZLSAQZMVYQJEC-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H](CN[C@@H](C)Cc1ccccc1F)C[NH+]1CCCC1 ZINC000157535811 534076976 /nfs/dbraw/zinc/07/69/76/534076976.db2.gz LZLSAQZMVYQJEC-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000151132399 519864073 /nfs/dbraw/zinc/86/40/73/519864073.db2.gz JYYPVGHCVZSCFT-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000151132399 519864074 /nfs/dbraw/zinc/86/40/74/519864074.db2.gz JYYPVGHCVZSCFT-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000151132399 519864075 /nfs/dbraw/zinc/86/40/75/519864075.db2.gz JYYPVGHCVZSCFT-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO c1cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2o1 ZINC000449068841 534476643 /nfs/dbraw/zinc/47/66/43/534476643.db2.gz DAZGBKUPXJDPPS-UHFFFAOYSA-N 1 3 270.376 3.149 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(C3CC3)c2)CC[N@@H+]1C ZINC000157700587 524926074 /nfs/dbraw/zinc/92/60/74/524926074.db2.gz XIXLARCEVULNDE-SUMWQHHRSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700587 524926082 /nfs/dbraw/zinc/92/60/82/524926082.db2.gz XIXLARCEVULNDE-SUMWQHHRSA-N 1 3 258.409 3.136 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423316692 527782108 /nfs/dbraw/zinc/78/21/08/527782108.db2.gz JYUGLBZPPWYOGX-KBXCAEBGSA-N 1 3 290.451 3.499 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC000176280619 527848175 /nfs/dbraw/zinc/84/81/75/527848175.db2.gz QFXWDYAHMNKCPX-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000176280619 527848180 /nfs/dbraw/zinc/84/81/80/527848180.db2.gz QFXWDYAHMNKCPX-GOSISDBHSA-N 1 3 274.452 3.201 20 0 CGADHO CC(C)OC1CC(NCCC[N@H+](C)C2CCCCC2)C1 ZINC000428257107 527880072 /nfs/dbraw/zinc/88/00/72/527880072.db2.gz BAFBEXHEYVWZSP-UHFFFAOYSA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)OC1CC(NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000428257107 527880077 /nfs/dbraw/zinc/88/00/77/527880077.db2.gz BAFBEXHEYVWZSP-UHFFFAOYSA-N 1 3 282.472 3.187 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354847399 528184059 /nfs/dbraw/zinc/18/40/59/528184059.db2.gz ZOXYNGZXSDGQQH-MRXNPFEDSA-N 1 3 284.488 3.245 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354847399 528184063 /nfs/dbraw/zinc/18/40/63/528184063.db2.gz ZOXYNGZXSDGQQH-MRXNPFEDSA-N 1 3 284.488 3.245 20 0 CGADHO CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000423406544 528240447 /nfs/dbraw/zinc/24/04/47/528240447.db2.gz YVYTYDXNRJLJBW-VYDXJSESSA-N 1 3 276.424 3.396 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1OCC ZINC000423338139 528606283 /nfs/dbraw/zinc/60/62/83/528606283.db2.gz VRNCELGLOYURLN-ZDUSSCGKSA-N 1 3 292.423 3.016 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000424126927 528625112 /nfs/dbraw/zinc/62/51/12/528625112.db2.gz CHUNNSQMTFKFQV-MRXNPFEDSA-N 1 3 292.471 3.208 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000424126927 528625117 /nfs/dbraw/zinc/62/51/17/528625117.db2.gz CHUNNSQMTFKFQV-MRXNPFEDSA-N 1 3 292.471 3.208 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000422898717 528670536 /nfs/dbraw/zinc/67/05/36/528670536.db2.gz MVYLWKKFKMGBRA-SJLPKXTDSA-N 1 3 290.451 3.125 20 0 CGADHO CCOCCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411441425 528713547 /nfs/dbraw/zinc/71/35/47/528713547.db2.gz JERGNDHVXWHVJK-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423282867 528954210 /nfs/dbraw/zinc/95/42/10/528954210.db2.gz DEICVBIYVMDVJY-NVXWUHKLSA-N 1 3 290.451 3.261 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1CCCc2sccc21 ZINC000423289543 528954434 /nfs/dbraw/zinc/95/44/34/528954434.db2.gz XMWWPJODLWPIBM-LBPRGKRZSA-N 1 3 252.427 3.233 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423399366 528989380 /nfs/dbraw/zinc/98/93/80/528989380.db2.gz VVNYAENLEMTGSM-NJAFHUGGSA-N 1 3 274.452 3.374 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1cccc(Cl)c1 ZINC000423337346 529157391 /nfs/dbraw/zinc/15/73/91/529157391.db2.gz VHOPUQAIBPYJOQ-CYBMUJFWSA-N 1 3 252.789 3.262 20 0 CGADHO CC[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC ZINC000414172517 529168220 /nfs/dbraw/zinc/16/82/20/529168220.db2.gz FJYGDUYSPAOEAU-DOTOQJQBSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172517 529168224 /nfs/dbraw/zinc/16/82/24/529168224.db2.gz FJYGDUYSPAOEAU-DOTOQJQBSA-N 1 3 290.451 3.468 20 0 CGADHO CCSc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423226661 529246735 /nfs/dbraw/zinc/24/67/35/529246735.db2.gz RQMXCIOVILBFQE-NWDGAFQWSA-N 1 3 252.427 3.187 20 0 CGADHO CC[C@](C)(NCCC1CC[NH2+]CC1)c1nc(C)cs1 ZINC000359220820 529370659 /nfs/dbraw/zinc/37/06/59/529370659.db2.gz NPBLIUQUKFQSPN-HNNXBMFYSA-N 1 3 281.469 3.056 20 0 CGADHO C[NH+]1CCC2(CCCN2CCc2cccc(Cl)c2)CC1 ZINC000459507647 536348654 /nfs/dbraw/zinc/34/86/54/536348654.db2.gz IVLBBWUVNSBEIZ-UHFFFAOYSA-N 1 3 292.854 3.443 20 0 CGADHO CN1CCC2(CCC[N@@H+]2CCc2cccc(Cl)c2)CC1 ZINC000459507647 536348655 /nfs/dbraw/zinc/34/86/55/536348655.db2.gz IVLBBWUVNSBEIZ-UHFFFAOYSA-N 1 3 292.854 3.443 20 0 CGADHO CN1CCC2(CCC[N@H+]2CCc2cccc(Cl)c2)CC1 ZINC000459507647 536348658 /nfs/dbraw/zinc/34/86/58/536348658.db2.gz IVLBBWUVNSBEIZ-UHFFFAOYSA-N 1 3 292.854 3.443 20 0 CGADHO COc1ccc([C@H](NCCCC[NH3+])c2ccccc2)cc1 ZINC000037715273 536930239 /nfs/dbraw/zinc/93/02/39/536930239.db2.gz KUUBTNOBWLNUMZ-GOSISDBHSA-N 1 3 284.403 3.113 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000728686055 571815455 /nfs/dbraw/zinc/81/54/55/571815455.db2.gz LHGYUMLPJSJEEB-ZDUSSCGKSA-N 1 3 293.282 3.232 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000728686055 571815459 /nfs/dbraw/zinc/81/54/59/571815459.db2.gz LHGYUMLPJSJEEB-ZDUSSCGKSA-N 1 3 293.282 3.232 20 0 CGADHO CC(C)[NH+]1CCC(N(C)CCc2cccs2)CC1 ZINC000725798671 572406781 /nfs/dbraw/zinc/40/67/81/572406781.db2.gz LMISLRVJQWUGSI-UHFFFAOYSA-N 1 3 266.454 3.095 20 0 CGADHO CC(C)SCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261550287 618082774 /nfs/dbraw/zinc/08/27/74/618082774.db2.gz LEBKQDMYVDALMH-ZIAGYGMSSA-N 1 3 258.475 3.028 20 0 CGADHO CN(Cc1ccccc1Br)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545692 618688525 /nfs/dbraw/zinc/68/85/25/618688525.db2.gz BQSIYUUYZQNAGE-YPMHNXCESA-N 1 3 297.240 3.008 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCO2 ZINC000178304189 618936675 /nfs/dbraw/zinc/93/66/75/618936675.db2.gz LNUICYSATOICBU-JQFCIGGWSA-N 1 3 288.435 3.145 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000019905734 618974036 /nfs/dbraw/zinc/97/40/36/618974036.db2.gz MUKHZOKWYIEBLD-UHFFFAOYSA-N 1 3 288.357 3.383 20 0 CGADHO CC(C)OC1CCC([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925623923 619094336 /nfs/dbraw/zinc/09/43/36/619094336.db2.gz VWFFJSJUDNSAMN-JWRYVHENSA-N 1 3 294.483 3.089 20 0 CGADHO CC(C)(C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)F ZINC000925732426 619206966 /nfs/dbraw/zinc/20/69/66/619206966.db2.gz ATUIZLNCDKIQNM-WXHSDQCUSA-N 1 3 274.399 3.034 20 0 CGADHO CC(C)([NH3+])CCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000925739331 619212678 /nfs/dbraw/zinc/21/26/78/619212678.db2.gz WBSNGNYOSIVKRR-CZUORRHYSA-N 1 3 294.414 3.010 20 0 CGADHO CCOc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1OCC ZINC000925741010 619213179 /nfs/dbraw/zinc/21/31/79/619213179.db2.gz MKWHKQBWAXWHMT-ZDUSSCGKSA-N 1 3 294.439 3.262 20 0 CGADHO Cc1cc(Cl)ccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261571929 619289220 /nfs/dbraw/zinc/28/92/20/619289220.db2.gz SECRUWDOIWAGHY-CWRNSKLLSA-N 1 3 278.827 3.208 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCS1 ZINC000925857075 619297587 /nfs/dbraw/zinc/29/75/87/619297587.db2.gz HCKMLLNTTJHJEV-DMRZNYOFSA-N 1 3 282.497 3.028 20 0 CGADHO CC[C@@H](C)N(Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767643 619403998 /nfs/dbraw/zinc/40/39/98/619403998.db2.gz MBNSNYLIXQZOSE-NVXWUHKLSA-N 1 3 260.425 3.287 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000897414481 620295372 /nfs/dbraw/zinc/29/53/72/620295372.db2.gz CYAQHXXCEKLBDE-SQWLQELKSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000897414481 620295377 /nfs/dbraw/zinc/29/53/77/620295377.db2.gz CYAQHXXCEKLBDE-SQWLQELKSA-N 1 3 276.424 3.137 20 0 CGADHO CC(C)C[C@@H](C)CN1CCC([NH2+]C2CCC2)CC1 ZINC000897982354 620461922 /nfs/dbraw/zinc/46/19/22/620461922.db2.gz KPUJLUDMQROXEO-CQSZACIVSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000926972934 620557371 /nfs/dbraw/zinc/55/73/71/620557371.db2.gz IVXOJHQIABSODT-SLBVQIDZSA-N 1 3 294.389 3.108 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000926972934 620557372 /nfs/dbraw/zinc/55/73/72/620557372.db2.gz IVXOJHQIABSODT-SLBVQIDZSA-N 1 3 294.389 3.108 20 0 CGADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000873257413 620563085 /nfs/dbraw/zinc/56/30/85/620563085.db2.gz UVJSABHTSRAIDG-BIIVOSGPSA-N 1 3 279.236 3.443 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCCSc2ccccc2)C1 ZINC000902328024 621264413 /nfs/dbraw/zinc/26/44/13/621264413.db2.gz IJMREPKFPHOTLV-AWEZNQCLSA-N 1 3 278.465 3.147 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)[C@@H]2CCCN[C@@H]21 ZINC000902452203 621330698 /nfs/dbraw/zinc/33/06/98/621330698.db2.gz KHQRKHFGRMGZIR-YIYPIFLZSA-N 1 3 282.497 3.027 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)[C@@H]2CCCN[C@@H]21 ZINC000902453752 621331709 /nfs/dbraw/zinc/33/17/09/621331709.db2.gz QHKIAPQBJDMBDM-APIJFGDWSA-N 1 3 262.441 3.075 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902453875 621331926 /nfs/dbraw/zinc/33/19/26/621331926.db2.gz FLBOGXUEWZMTFD-CRWXNKLISA-N 1 3 286.410 3.178 20 0 CGADHO Clc1cccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)c1 ZINC000902468766 621340749 /nfs/dbraw/zinc/34/07/49/621340749.db2.gz VEWBLJQSFZCXJP-BTYMGIQYSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825692 621456756 /nfs/dbraw/zinc/45/67/56/621456756.db2.gz NZZVPDCLUBITTB-HOTGVXAUSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825692 621456762 /nfs/dbraw/zinc/45/67/62/621456762.db2.gz NZZVPDCLUBITTB-HOTGVXAUSA-N 1 3 298.434 3.007 20 0 CGADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CCOCC1 ZINC000902833144 621466938 /nfs/dbraw/zinc/46/69/38/621466938.db2.gz WQTUPRQEECLATD-SQNIBIBYSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1CCC[C@@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903381866 621723903 /nfs/dbraw/zinc/72/39/03/621723903.db2.gz AIUWZYJUJBJJTI-OIISXLGYSA-N 1 3 275.440 3.243 20 0 CGADHO c1cc([C@H]2CCCN2C[C@H]2CCCC[NH2+]C2)cs1 ZINC000903724890 621797153 /nfs/dbraw/zinc/79/71/53/621797153.db2.gz RZODRGPPKINFMF-DZGCQCFKSA-N 1 3 264.438 3.275 20 0 CGADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000903954302 621842372 /nfs/dbraw/zinc/84/23/72/621842372.db2.gz CTBKKIFGBWXWKV-LBPRGKRZSA-N 1 3 296.386 3.236 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(-c3cnco3)cc2)[C@@H](C)C1 ZINC000906525344 622243314 /nfs/dbraw/zinc/24/33/14/622243314.db2.gz LWGWKISGZJFDIG-WMLDXEAASA-N 1 3 299.418 3.162 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C[NH3+])C1 ZINC000224197680 622870362 /nfs/dbraw/zinc/87/03/62/622870362.db2.gz NRRPSGBCPCNJRP-MNOVXSKESA-N 1 3 272.314 3.047 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCSC(F)(F)F ZINC000231940381 623350150 /nfs/dbraw/zinc/35/01/50/623350150.db2.gz ONVUCPGGLFOXKF-QWRGUYRKSA-N 1 3 284.391 3.140 20 0 CGADHO CCC[NH+]1CCC(CNCc2cc(C)cnc2Cl)CC1 ZINC000921687057 625834862 /nfs/dbraw/zinc/83/48/62/625834862.db2.gz WINKCVCYEYEXEP-UHFFFAOYSA-N 1 3 295.858 3.255 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2cccc(F)c2F)CC1 ZINC000922847515 626057785 /nfs/dbraw/zinc/05/77/85/626057785.db2.gz SIBYHESZOMWYCT-UHFFFAOYSA-N 1 3 294.389 3.461 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2ccncc2Cl)CC1 ZINC000922845110 626058129 /nfs/dbraw/zinc/05/81/29/626058129.db2.gz BMMRYUAUWOORTK-UHFFFAOYSA-N 1 3 293.842 3.232 20 0 CGADHO COc1ccc2c(c1)nccc2NC1CC[NH+](C2CC2)CC1 ZINC000765458993 627250837 /nfs/dbraw/zinc/25/08/37/627250837.db2.gz SJCDTQAPLRCNMU-UHFFFAOYSA-N 1 3 297.402 3.282 20 0 CGADHO C[C@H](CCCCO)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000779036878 628384974 /nfs/dbraw/zinc/38/49/74/628384974.db2.gz DMHJKLCWCIRIMI-MRXNPFEDSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000783233076 628691898 /nfs/dbraw/zinc/69/18/98/628691898.db2.gz YJPQRYDPGDFHLC-CJNGLKHVSA-N 1 3 250.430 3.029 20 0 CGADHO CC[NH+]1CCC(NCc2ccccc2C(C)C)CC1 ZINC000783316548 628703006 /nfs/dbraw/zinc/70/30/06/628703006.db2.gz OZAJKVYUKPUBRW-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cn(C(F)F)c2ccccc12 ZINC000863545836 629604001 /nfs/dbraw/zinc/60/40/01/629604001.db2.gz IAZAPDHOLHJQNZ-MNOVXSKESA-N 1 3 281.350 3.252 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925493500 629938302 /nfs/dbraw/zinc/93/83/02/629938302.db2.gz XVNGRQTYPXEBGI-NEWSRXKRSA-N 1 3 284.447 3.084 20 0 CGADHO CCOc1cc(F)cc(C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000865404697 630105292 /nfs/dbraw/zinc/10/52/92/630105292.db2.gz RWFMANBMZZGOFN-UHFFFAOYSA-N 1 3 294.414 3.187 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(C)oc1C ZINC000809757540 630800707 /nfs/dbraw/zinc/80/07/07/630800707.db2.gz TVJODCVLBKPIGJ-UHFFFAOYSA-N 1 3 252.402 3.060 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(C)oc1C ZINC000809757540 630800702 /nfs/dbraw/zinc/80/07/02/630800702.db2.gz TVJODCVLBKPIGJ-UHFFFAOYSA-N 1 3 252.402 3.060 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000817888410 632229326 /nfs/dbraw/zinc/22/93/26/632229326.db2.gz LINOHRWKXUWDCM-IRXDYDNUSA-N 1 3 276.424 3.223 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958391 632253660 /nfs/dbraw/zinc/25/36/60/632253660.db2.gz JFPQNCCJRRRFMP-HZPDHXFCSA-N 1 3 276.424 3.036 20 0 CGADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000817962841 632258548 /nfs/dbraw/zinc/25/85/48/632258548.db2.gz LXQSDSYGIVUBTQ-UONOGXRCSA-N 1 3 296.414 3.492 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000817970561 632263795 /nfs/dbraw/zinc/26/37/95/632263795.db2.gz ZYUSPCMNJQDDGX-YUTCNCBUSA-N 1 3 250.361 3.055 20 0 CGADHO CCCCCC[C@H](O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000818970535 632357908 /nfs/dbraw/zinc/35/79/08/632357908.db2.gz WBVHKVWDFJWTHW-INIZCTEOSA-N 1 3 284.488 3.170 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865829599 632904196 /nfs/dbraw/zinc/90/41/96/632904196.db2.gz CWHZHMSTOWYKLX-IGQOVBAYSA-N 1 3 288.357 3.100 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865829599 632904197 /nfs/dbraw/zinc/90/41/97/632904197.db2.gz CWHZHMSTOWYKLX-IGQOVBAYSA-N 1 3 288.357 3.100 20 0 CGADHO Fc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000866229217 633036374 /nfs/dbraw/zinc/03/63/74/633036374.db2.gz ONBPDMFJWVYMHM-FZKQIMNGSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1cccc2c1CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000866229217 633036377 /nfs/dbraw/zinc/03/63/77/633036377.db2.gz ONBPDMFJWVYMHM-FZKQIMNGSA-N 1 3 288.410 3.277 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584159 633203506 /nfs/dbraw/zinc/20/35/06/633203506.db2.gz NAYCBOTYGTZYQY-GVDBMIGSSA-N 1 3 258.409 3.164 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866584159 633203510 /nfs/dbraw/zinc/20/35/10/633203510.db2.gz NAYCBOTYGTZYQY-GVDBMIGSSA-N 1 3 258.409 3.164 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCCOc2ccccc2)C1 ZINC000866705129 633234107 /nfs/dbraw/zinc/23/41/07/633234107.db2.gz UFAWTWSMERRTFF-SFHVURJKSA-N 1 3 290.451 3.152 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCCOc2ccccc2)C1 ZINC000866705129 633234110 /nfs/dbraw/zinc/23/41/10/633234110.db2.gz UFAWTWSMERRTFF-SFHVURJKSA-N 1 3 290.451 3.152 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)N1CCCCC1 ZINC000872062982 633985099 /nfs/dbraw/zinc/98/50/99/633985099.db2.gz RVVCWIYHANPEPA-IKGGRYGDSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000872087294 634013356 /nfs/dbraw/zinc/01/33/56/634013356.db2.gz IEQBEYMEYDLUJH-CHWSQXEVSA-N 1 3 280.378 3.429 20 0 CGADHO C[C@]1(C(F)(F)F)CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000872146839 634065559 /nfs/dbraw/zinc/06/55/59/634065559.db2.gz YYPWRECIHGXGCM-HNNXBMFYSA-N 1 3 298.352 3.107 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000873069336 634240784 /nfs/dbraw/zinc/24/07/84/634240784.db2.gz CVMRZKGOPSMUEI-JKSUJKDBSA-N 1 3 283.419 3.197 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000873069335 634240994 /nfs/dbraw/zinc/24/09/94/634240994.db2.gz CVMRZKGOPSMUEI-HZPDHXFCSA-N 1 3 283.419 3.197 20 0 CGADHO CCOc1cccc(F)c1CNCC1(C)CC[NH+](C)CC1 ZINC000873102743 634246488 /nfs/dbraw/zinc/24/64/88/634246488.db2.gz OYZSTYISGDYKBI-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000873223587 634290784 /nfs/dbraw/zinc/29/07/84/634290784.db2.gz OMDIKPNKYCHBRZ-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000873223587 634290791 /nfs/dbraw/zinc/29/07/91/634290791.db2.gz OMDIKPNKYCHBRZ-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(SC(F)F)cc2)C1 ZINC000841056996 635115716 /nfs/dbraw/zinc/11/57/16/635115716.db2.gz GTHHNGVKKQFSIP-NWDGAFQWSA-N 1 3 286.391 3.361 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000841090390 635121458 /nfs/dbraw/zinc/12/14/58/635121458.db2.gz OOPAXCFQPLCLKB-JHJVBQTASA-N 1 3 290.373 3.372 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878159381 635385886 /nfs/dbraw/zinc/38/58/86/635385886.db2.gz KLDOBBUCESQFBF-OAHLLOKOSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878159381 635385897 /nfs/dbraw/zinc/38/58/97/635385897.db2.gz KLDOBBUCESQFBF-OAHLLOKOSA-N 1 3 264.457 3.230 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844924412 635986089 /nfs/dbraw/zinc/98/60/89/635986089.db2.gz LIXAJJBZWWLWIP-TUAOUCFPSA-N 1 3 279.255 3.068 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130211219 636433259 /nfs/dbraw/zinc/43/32/59/636433259.db2.gz SLWLGEPBTCFEQE-FVQBIDKESA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130211219 636433262 /nfs/dbraw/zinc/43/32/62/636433262.db2.gz SLWLGEPBTCFEQE-FVQBIDKESA-N 1 3 292.854 3.487 20 0 CGADHO CC(C)c1ccccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000848528310 636590200 /nfs/dbraw/zinc/59/02/00/636590200.db2.gz KWUMCQVKHJXMDT-HNNXBMFYSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000848528310 636590206 /nfs/dbraw/zinc/59/02/06/636590206.db2.gz KWUMCQVKHJXMDT-HNNXBMFYSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000848528310 636590211 /nfs/dbraw/zinc/59/02/11/636590211.db2.gz KWUMCQVKHJXMDT-HNNXBMFYSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccccc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000848536997 636594948 /nfs/dbraw/zinc/59/49/48/636594948.db2.gz ZFZPPVCQBCNDEM-HNNXBMFYSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)c1ccccc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000848536997 636594953 /nfs/dbraw/zinc/59/49/53/636594953.db2.gz ZFZPPVCQBCNDEM-HNNXBMFYSA-N 1 3 260.425 3.241 20 0 CGADHO C([NH2+][C@H]1CCCC2(CC2)C1)[C@H]1CCCN(CC2CC2)C1 ZINC000883237720 636606405 /nfs/dbraw/zinc/60/64/05/636606405.db2.gz IPIAVJGLDHYHOS-SJORKVTESA-N 1 3 276.468 3.421 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000850439725 637064975 /nfs/dbraw/zinc/06/49/75/637064975.db2.gz NXMPRKRRQIXNPV-CQJMVSDSSA-N 1 3 264.457 3.274 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000886715860 637669398 /nfs/dbraw/zinc/66/93/98/637669398.db2.gz GSERESDJXNCDKX-OAHLLOKOSA-N 1 3 282.472 3.044 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC000886720063 637672994 /nfs/dbraw/zinc/67/29/94/637672994.db2.gz RAYZSTYSJNDNIT-QGZVFWFLSA-N 1 3 294.483 3.142 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCC=C(C)C)CC1 ZINC000886720127 637673514 /nfs/dbraw/zinc/67/35/14/637673514.db2.gz UEDUVYFHMKZRJY-UHFFFAOYSA-N 1 3 250.430 3.293 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCCO2)CC1 ZINC000886725807 637674752 /nfs/dbraw/zinc/67/47/52/637674752.db2.gz XOZQPIHTGWMJPI-JQHSSLGASA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886841657 637714084 /nfs/dbraw/zinc/71/40/84/637714084.db2.gz RNASJQKUZCSANI-MAUKXSAKSA-N 1 3 294.483 3.033 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886841657 637714089 /nfs/dbraw/zinc/71/40/89/637714089.db2.gz RNASJQKUZCSANI-MAUKXSAKSA-N 1 3 294.483 3.033 20 0 CGADHO c1cc(CCCN2CCCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000886874247 637715648 /nfs/dbraw/zinc/71/56/48/637715648.db2.gz KAQMTUXCDBKOAI-INIZCTEOSA-N 1 3 278.465 3.146 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924570793 638364721 /nfs/dbraw/zinc/36/47/21/638364721.db2.gz CEMOMROEOVSRPH-FGTMMUONSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccns1 ZINC000925085476 638448484 /nfs/dbraw/zinc/44/84/84/638448484.db2.gz HRWUVCJVOUYTLT-WCQYABFASA-N 1 3 269.458 3.160 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565094 638532205 /nfs/dbraw/zinc/53/22/05/638532205.db2.gz OTPPOOSHXXKYJJ-TZMCWYRMSA-N 1 3 295.496 3.305 20 0 CGADHO CC[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1C ZINC000925575893 638534889 /nfs/dbraw/zinc/53/48/89/638534889.db2.gz IGLCRZBQCPEMFH-PVAVHDDUSA-N 1 3 288.435 3.012 20 0 CGADHO CC(C)(C)SCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925582903 638537158 /nfs/dbraw/zinc/53/71/58/638537158.db2.gz ISLUCAQBMXVPSY-CABCVRRESA-N 1 3 284.513 3.276 20 0 CGADHO C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(C[NH+](C)C)c1 ZINC000925646101 638556949 /nfs/dbraw/zinc/55/69/49/638556949.db2.gz SQLRVKSXMVUHNA-KGLIPLIRSA-N 1 3 271.408 3.488 20 0 CGADHO C[C@@H]([NH3+])[C@H](NCC1CCC(F)CC1)c1ccccc1 ZINC000925714579 638577741 /nfs/dbraw/zinc/57/77/41/638577741.db2.gz ZWVYSAJQTKXLTM-XCAIRMDXSA-N 1 3 264.388 3.193 20 0 CGADHO C[C@@H]([NH3+])[C@@H](NCC1CCC(F)CC1)c1ccccc1 ZINC000925714577 638578046 /nfs/dbraw/zinc/57/80/46/638578046.db2.gz ZWVYSAJQTKXLTM-FKFRUQKQSA-N 1 3 264.388 3.193 20 0 CGADHO C[C@@H]1CC[C@H](NCCC(C)(C)[NH3+])c2sccc21 ZINC000925738655 638591791 /nfs/dbraw/zinc/59/17/91/638591791.db2.gz RVBIDFKFYLSSSL-PWSUYJOCSA-N 1 3 252.427 3.404 20 0 CGADHO Fc1ccc([C@@H]([NH2+]C[C@H]2CNCCC2(F)F)C2CC2)cc1 ZINC000925786645 638613836 /nfs/dbraw/zinc/61/38/36/638613836.db2.gz XNRMYUYHWYKYCE-HIFRSBDPSA-N 1 3 298.352 3.111 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925791205 638614059 /nfs/dbraw/zinc/61/40/59/638614059.db2.gz PDALXSKSYZKMDF-HYVNUMGLSA-N 1 3 260.425 3.219 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838164 638628850 /nfs/dbraw/zinc/62/88/50/638628850.db2.gz KXSVOEMZIAAOTM-XUWVNRHRSA-N 1 3 294.389 3.142 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838164 638628853 /nfs/dbraw/zinc/62/88/53/638628853.db2.gz KXSVOEMZIAAOTM-XUWVNRHRSA-N 1 3 294.389 3.142 20 0 CGADHO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc([O-])cc(F)c1 ZINC000926486450 638776385 /nfs/dbraw/zinc/77/63/85/638776385.db2.gz GOSGEGMVDBGJSD-AWEZNQCLSA-N 1 3 294.414 3.448 20 0 CGADHO FC1(F)[C@@H]2C[C@@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C[C@@H]21 ZINC000929689137 638941386 /nfs/dbraw/zinc/94/13/86/638941386.db2.gz VWNFEOYDUHCHJC-FPCVCCKLSA-N 1 3 298.421 3.228 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780140 638950056 /nfs/dbraw/zinc/95/00/56/638950056.db2.gz LCGXGIKBCCPBTB-PBHICJAKSA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(F)c2)C[C@H]1C ZINC000929780140 638950058 /nfs/dbraw/zinc/95/00/58/638950058.db2.gz LCGXGIKBCCPBTB-PBHICJAKSA-N 1 3 278.415 3.173 20 0 CGADHO CCN(C)C1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254449467 806403887 /nfs/dbraw/zinc/40/38/87/806403887.db2.gz OETMXDVZNRPNJM-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CC[N@H+](C)C1CCN(C2CCC3(CC3)CC2)CC1 ZINC001254449467 806403890 /nfs/dbraw/zinc/40/38/90/806403890.db2.gz OETMXDVZNRPNJM-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CC[N@@H+](C)C1CCN(C2CCC3(CC3)CC2)CC1 ZINC001254449467 806403894 /nfs/dbraw/zinc/40/38/94/806403894.db2.gz OETMXDVZNRPNJM-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CN(C1CC1)C1CC[NH+](C2CCc3ccccc3CC2)CC1 ZINC001254462719 806411359 /nfs/dbraw/zinc/41/13/59/806411359.db2.gz GVYWGMKJRMAABC-UHFFFAOYSA-N 1 3 298.474 3.493 20 0 CGADHO CN1CCC[C@@H]([NH2+]Cc2ccc3sccc3c2)CC1 ZINC001254506044 806425190 /nfs/dbraw/zinc/42/51/90/806425190.db2.gz OCJPFIKBXSRCKJ-OAHLLOKOSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@@H+]1CCC[C@@H](NCc2ccc3sccc3c2)CC1 ZINC001254506044 806425195 /nfs/dbraw/zinc/42/51/95/806425195.db2.gz OCJPFIKBXSRCKJ-OAHLLOKOSA-N 1 3 274.433 3.475 20 0 CGADHO C[N@H+]1CCC[C@@H](NCc2ccc3sccc3c2)CC1 ZINC001254506044 806425200 /nfs/dbraw/zinc/42/52/00/806425200.db2.gz OCJPFIKBXSRCKJ-OAHLLOKOSA-N 1 3 274.433 3.475 20 0 CGADHO CN1CCC[C@@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507334 806426858 /nfs/dbraw/zinc/42/68/58/806426858.db2.gz AUXFWXVFFMKHRP-CZUORRHYSA-N 1 3 293.842 3.260 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1Cc2ccccc2C1 ZINC001255014603 806525445 /nfs/dbraw/zinc/52/54/45/806525445.db2.gz BCULACMGHQBFKQ-MRXNPFEDSA-N 1 3 294.442 3.251 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1Cc2ccccc2C1 ZINC001255014603 806525456 /nfs/dbraw/zinc/52/54/56/806525456.db2.gz BCULACMGHQBFKQ-MRXNPFEDSA-N 1 3 294.442 3.251 20 0 CGADHO FC[C@H]1CCC[N@@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255408902 806634649 /nfs/dbraw/zinc/63/46/49/806634649.db2.gz FAGWXRKNNZLKKP-QZTJIDSGSA-N 1 3 290.426 3.475 20 0 CGADHO FC[C@H]1CCC[N@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255408902 806634654 /nfs/dbraw/zinc/63/46/54/806634654.db2.gz FAGWXRKNNZLKKP-QZTJIDSGSA-N 1 3 290.426 3.475 20 0 CGADHO C[N@@H+]1CCC[C@@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001255467969 806646299 /nfs/dbraw/zinc/64/62/99/806646299.db2.gz MXEOPPVMUYENSY-CYBMUJFWSA-N 1 3 277.799 3.020 20 0 CGADHO C[N@H+]1CCC[C@@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001255467969 806646304 /nfs/dbraw/zinc/64/63/04/806646304.db2.gz MXEOPPVMUYENSY-CYBMUJFWSA-N 1 3 277.799 3.020 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC001255533232 806665743 /nfs/dbraw/zinc/66/57/43/806665743.db2.gz XQBKZVCSIZWMGV-NVXWUHKLSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC001255533232 806665748 /nfs/dbraw/zinc/66/57/48/806665748.db2.gz XQBKZVCSIZWMGV-NVXWUHKLSA-N 1 3 290.451 3.041 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNCc2cc(C)c(C)cc2C)C1 ZINC000037644548 798871342 /nfs/dbraw/zinc/87/13/42/798871342.db2.gz IOVWQIVQYIKREU-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO CC[N@H+]1CC[C@@H](CNCc2cc(C)c(C)cc2C)C1 ZINC000037644548 798871344 /nfs/dbraw/zinc/87/13/44/798871344.db2.gz IOVWQIVQYIKREU-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NCCC[NH+]1CCCC1 ZINC001255726317 806721321 /nfs/dbraw/zinc/72/13/21/806721321.db2.gz MASGVAAXHPOFLM-AWEZNQCLSA-N 1 3 296.455 3.382 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]CCCN1CCCC1 ZINC001255726317 806721324 /nfs/dbraw/zinc/72/13/24/806721324.db2.gz MASGVAAXHPOFLM-AWEZNQCLSA-N 1 3 296.455 3.382 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000387976378 799449154 /nfs/dbraw/zinc/44/91/54/799449154.db2.gz DURBVYYKQXXKEZ-SNVBAGLBSA-N 1 3 274.330 3.483 20 0 CGADHO Cc1ccc(C[C@H](C)N2CCC([NH+]3CCC3)CC2)cc1 ZINC001255796499 806756264 /nfs/dbraw/zinc/75/62/64/806756264.db2.gz XQZVLNLBJIQKRP-INIZCTEOSA-N 1 3 272.436 3.096 20 0 CGADHO C[C@@H]([N@H+](C)Cc1cc2c(s1)CCNC2)C1(C)CC1 ZINC000688047708 799744686 /nfs/dbraw/zinc/74/46/86/799744686.db2.gz HOCIKPFSPBFNHF-LLVKDONJSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]([N@@H+](C)Cc1cc2c(s1)CCNC2)C1(C)CC1 ZINC000688047708 799744691 /nfs/dbraw/zinc/74/46/91/799744691.db2.gz HOCIKPFSPBFNHF-LLVKDONJSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCCN(Cc2cccnc2Cl)[C@@H]1CCC[NH3+] ZINC000693461359 799810823 /nfs/dbraw/zinc/81/08/23/799810823.db2.gz YIDYTQWEJQXJSN-TZMCWYRMSA-N 1 3 281.831 3.074 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCOC1CCCCC1 ZINC001255949875 806794375 /nfs/dbraw/zinc/79/43/75/806794375.db2.gz CBSKYNCNNJMUJE-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC(C)(C)C2)CC(C)(C)C1 ZINC000708331068 799984652 /nfs/dbraw/zinc/98/46/52/799984652.db2.gz SSTQRWRGHRGHRW-MCIONIFRSA-N 1 3 252.446 3.321 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2cccc(C)n2)CC1 ZINC001255951389 806795614 /nfs/dbraw/zinc/79/56/14/806795614.db2.gz JOOUSGCHMIHWJH-OAHLLOKOSA-N 1 3 289.467 3.132 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)COc1ccccc1 ZINC001255951076 806795655 /nfs/dbraw/zinc/79/56/55/806795655.db2.gz MXIPVLYFGVPFPA-HZPDHXFCSA-N 1 3 278.440 3.164 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001255953960 806796290 /nfs/dbraw/zinc/79/62/90/806796290.db2.gz XLKNPPQDDIDPBN-GUYCJALGSA-N 1 3 278.415 3.003 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H]1Cc2ccc(F)cc2C1 ZINC001255953960 806796294 /nfs/dbraw/zinc/79/62/94/806796294.db2.gz XLKNPPQDDIDPBN-GUYCJALGSA-N 1 3 278.415 3.003 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001255958199 806799461 /nfs/dbraw/zinc/79/94/61/806799461.db2.gz ZKYLMLQIAPYRQN-PMPSAXMXSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001255958199 806799464 /nfs/dbraw/zinc/79/94/64/806799464.db2.gz ZKYLMLQIAPYRQN-PMPSAXMXSA-N 1 3 254.462 3.475 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000715504150 800136399 /nfs/dbraw/zinc/13/63/99/800136399.db2.gz BSGCFSOZKWLWFT-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000716333032 800168459 /nfs/dbraw/zinc/16/84/59/800168459.db2.gz BWINWUKRISMXQG-ZYHUDNBSSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@H](NCCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716333032 800168461 /nfs/dbraw/zinc/16/84/61/800168461.db2.gz BWINWUKRISMXQG-ZYHUDNBSSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000716533875 800175240 /nfs/dbraw/zinc/17/52/40/800175240.db2.gz UWEQUHCJGUPXRO-MATCCNJVSA-N 1 3 256.393 3.013 20 0 CGADHO CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712550 800178415 /nfs/dbraw/zinc/17/84/15/800178415.db2.gz MOVQNNOVTGJAOB-ULQDDVLXSA-N 1 3 258.409 3.039 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(Cl)c(Cl)c1 ZINC000925771697 800633925 /nfs/dbraw/zinc/63/39/25/800633925.db2.gz CQKUZGKRMLPFHX-QWHCGFSZSA-N 1 3 273.207 3.005 20 0 CGADHO CCOC1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001256429830 806895803 /nfs/dbraw/zinc/89/58/03/806895803.db2.gz SLARLZPKPNKKCT-UHFFFAOYSA-N 1 3 282.472 3.318 20 0 CGADHO CCOC1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001256429830 806895812 /nfs/dbraw/zinc/89/58/12/806895812.db2.gz SLARLZPKPNKKCT-UHFFFAOYSA-N 1 3 282.472 3.318 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccnc1 ZINC001256562435 806916619 /nfs/dbraw/zinc/91/66/19/806916619.db2.gz UHHKTCZWPIHVLQ-MRXNPFEDSA-N 1 3 275.440 3.385 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCC(=O)c2ccccc2)CC1 ZINC001256563492 806916800 /nfs/dbraw/zinc/91/68/00/806916800.db2.gz CLLDDFVQUJXTCL-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO Cc1ccnc(CCC[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC001256561948 806916910 /nfs/dbraw/zinc/91/69/10/806916910.db2.gz KWSJWGHEKGCEKV-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001256572608 806919357 /nfs/dbraw/zinc/91/93/57/806919357.db2.gz TYTYPFGBBOBOJY-OAHLLOKOSA-N 1 3 287.451 3.134 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001256572608 806919360 /nfs/dbraw/zinc/91/93/60/806919360.db2.gz TYTYPFGBBOBOJY-OAHLLOKOSA-N 1 3 287.451 3.134 20 0 CGADHO COc1ccc([C@H](C)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256628664 806931845 /nfs/dbraw/zinc/93/18/45/806931845.db2.gz NIPAJVMDSHSRFC-JTUUTPGSSA-N 1 3 288.435 3.313 20 0 CGADHO COc1ccc([C@H](C)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256628664 806931848 /nfs/dbraw/zinc/93/18/48/806931848.db2.gz NIPAJVMDSHSRFC-JTUUTPGSSA-N 1 3 288.435 3.313 20 0 CGADHO C[NH+](C)Cc1cccc(CNCc2cccn2C2CC2)c1 ZINC001117785019 802493754 /nfs/dbraw/zinc/49/37/54/802493754.db2.gz VSHHJHMDPWRGAJ-UHFFFAOYSA-N 1 3 283.419 3.174 20 0 CGADHO Cc1cccc([C@@H](NC[C@H]2CCC[NH2+]C2)C(C)C)c1 ZINC001118898502 802614958 /nfs/dbraw/zinc/61/49/58/802614958.db2.gz XEUAUIMSTMYOQR-RDJZCZTQSA-N 1 3 260.425 3.281 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC001200811188 811748385 /nfs/dbraw/zinc/74/83/85/811748385.db2.gz CWYAAMDHPOPRLQ-IAGOWNOFSA-N 1 3 283.419 3.197 20 0 CGADHO COc1ccc(C2=C[NH2+]CCC2)cc1CN1CCCCC1 ZINC001243952534 803097993 /nfs/dbraw/zinc/09/79/93/803097993.db2.gz SVKPHEMXHQHMAP-UHFFFAOYSA-N 1 3 286.419 3.405 20 0 CGADHO c1cc2c(c(-c3ccc([C@H]4CCC[NH2+]4)cc3)n1)CCN2 ZINC001245348172 803707914 /nfs/dbraw/zinc/70/79/14/803707914.db2.gz WNKUPNXUOCSULO-OAHLLOKOSA-N 1 3 265.360 3.141 20 0 CGADHO CN(C)Cc1ccnc(-c2ccc(C(C)(C)[NH3+])cc2)c1 ZINC001245907137 804035186 /nfs/dbraw/zinc/03/51/86/804035186.db2.gz OFLQVWCHHYIEJG-UHFFFAOYSA-N 1 3 269.392 3.004 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246065128 804106617 /nfs/dbraw/zinc/10/66/17/804106617.db2.gz JQDJIHOBGHLXNP-HUUCEWRRSA-N 1 3 252.446 3.323 20 0 CGADHO C[NH2+]CC[C@@H](C)NCc1ccccc1-c1ccccc1 ZINC001246076177 804114143 /nfs/dbraw/zinc/11/41/43/804114143.db2.gz BASKRLBPYHNPAO-OAHLLOKOSA-N 1 3 268.404 3.441 20 0 CGADHO C[C@H]1CC(NCCc2c(F)cccc2Cl)C[C@H](C)[NH2+]1 ZINC001246075170 804114791 /nfs/dbraw/zinc/11/47/91/804114791.db2.gz HXVZOZCTMWLGLS-QWRGUYRKSA-N 1 3 284.806 3.140 20 0 CGADHO Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246078843 804115846 /nfs/dbraw/zinc/11/58/46/804115846.db2.gz MZNXWTZKOWRSMP-ZDUSSCGKSA-N 1 3 299.245 3.192 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246081296 804117987 /nfs/dbraw/zinc/11/79/87/804117987.db2.gz MSDBOVWVOCNVBD-UONOGXRCSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CCC3(CCCC3)CC2)CCN1 ZINC001246110547 804141511 /nfs/dbraw/zinc/14/15/11/804141511.db2.gz MITNXPILCFSOBY-DZGCQCFKSA-N 1 3 250.430 3.220 20 0 CGADHO CCn1ccc2c1cccc2CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001139156383 804142207 /nfs/dbraw/zinc/14/22/07/804142207.db2.gz AWBIBCQZZZDACN-IBGZPJMESA-N 1 3 297.446 3.189 20 0 CGADHO CCn1ccc2c1cccc2CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001139156383 804142210 /nfs/dbraw/zinc/14/22/10/804142210.db2.gz AWBIBCQZZZDACN-IBGZPJMESA-N 1 3 297.446 3.189 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1cccc2c1ccn2CC ZINC001139155411 804142940 /nfs/dbraw/zinc/14/29/40/804142940.db2.gz PJVPCPWCEMWFSU-UHFFFAOYSA-N 1 3 287.451 3.435 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119072 804151311 /nfs/dbraw/zinc/15/13/11/804151311.db2.gz AWNVFEPWPPCSNH-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246118513 804151763 /nfs/dbraw/zinc/15/17/63/804151763.db2.gz ZYPNXCGCVGFWOX-CBBWQLFWSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+]C1(C)CCNCC1 ZINC001246127719 804154806 /nfs/dbraw/zinc/15/48/06/804154806.db2.gz MSFIIPOSXUKRFF-KRWDZBQOSA-N 1 3 274.452 3.376 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246136042 804160407 /nfs/dbraw/zinc/16/04/07/804160407.db2.gz UXVSTZVWMIPIHX-JYJNAYRXSA-N 1 3 252.446 3.467 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246138748 804162525 /nfs/dbraw/zinc/16/25/25/804162525.db2.gz OHYUWEDZRAGYOL-HZPDHXFCSA-N 1 3 282.472 3.094 20 0 CGADHO CCCCCC[C@@H](CCC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246138748 804162527 /nfs/dbraw/zinc/16/25/27/804162527.db2.gz OHYUWEDZRAGYOL-HZPDHXFCSA-N 1 3 282.472 3.094 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246141871 804165426 /nfs/dbraw/zinc/16/54/26/804165426.db2.gz DNWKYAYSWAMDOE-KSZLIROESA-N 1 3 296.499 3.340 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246149070 804169737 /nfs/dbraw/zinc/16/97/37/804169737.db2.gz QKHKULZHXIXYFK-XUWVNRHRSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246151573 804170410 /nfs/dbraw/zinc/17/04/10/804170410.db2.gz NUEJFUZGYVHBJY-XDNAFOTISA-N 1 3 296.499 3.340 20 0 CGADHO CC[C@H]1C[C@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246176681 804190938 /nfs/dbraw/zinc/19/09/38/804190938.db2.gz QRPUTOIPNCGMEL-LSDHHAIUSA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCCOc2cccc(Cl)c2)CCN1 ZINC001246176681 804190944 /nfs/dbraw/zinc/19/09/44/804190944.db2.gz QRPUTOIPNCGMEL-LSDHHAIUSA-N 1 3 296.842 3.229 20 0 CGADHO C[C@@H]1CC(NCCSCc2ccc(F)cc2)C[C@@H](C)[NH2+]1 ZINC001246175701 804191137 /nfs/dbraw/zinc/19/11/37/804191137.db2.gz VKMNCYBEAJFWBJ-CHWSQXEVSA-N 1 3 296.455 3.178 20 0 CGADHO C[C@@H]1CC([NH2+]CCSCc2ccc(F)cc2)C[C@@H](C)N1 ZINC001246175701 804191141 /nfs/dbraw/zinc/19/11/41/804191141.db2.gz VKMNCYBEAJFWBJ-CHWSQXEVSA-N 1 3 296.455 3.178 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2cccc(Cl)n2)CC1 ZINC001139550612 804205293 /nfs/dbraw/zinc/20/52/93/804205293.db2.gz NKTKPKWITFOXOV-UHFFFAOYSA-N 1 3 295.858 3.287 20 0 CGADHO C[C@@H]1C[C@@H](NCCSCc2ccccc2Cl)CC[NH2+]1 ZINC001246200213 804205880 /nfs/dbraw/zinc/20/58/80/804205880.db2.gz AYKQUXDXMPAYHH-OCCSQVGLSA-N 1 3 298.883 3.303 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2Cl)CCN1 ZINC001246200213 804205889 /nfs/dbraw/zinc/20/58/89/804205889.db2.gz AYKQUXDXMPAYHH-OCCSQVGLSA-N 1 3 298.883 3.303 20 0 CGADHO CCCC[C@@H](CC)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246233405 804225036 /nfs/dbraw/zinc/22/50/36/804225036.db2.gz RJOXISDYTXRIOQ-LVQVYYBASA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@H]1C[C@H](NCCCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246266649 804245885 /nfs/dbraw/zinc/24/58/85/804245885.db2.gz ONWGFZVWKBKCLU-LSDHHAIUSA-N 1 3 298.471 3.009 20 0 CGADHO CC[C@@H]1CC(NCCCC(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246267191 804246083 /nfs/dbraw/zinc/24/60/83/804246083.db2.gz RHJOCEWOZJJULS-ZIAGYGMSSA-N 1 3 298.471 3.007 20 0 CGADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246266870 804246430 /nfs/dbraw/zinc/24/64/30/804246430.db2.gz SWXOOJLKZHZMJM-KBUPBQIOSA-N 1 3 252.446 3.321 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246275640 804251068 /nfs/dbraw/zinc/25/10/68/804251068.db2.gz BFIVAKRCJJFXHQ-NILFDRSVSA-N 1 3 299.245 3.320 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+]C[C@H](N)CC(C)C)cc1 ZINC001246298582 804267069 /nfs/dbraw/zinc/26/70/69/804267069.db2.gz BILFIUONEBRGOG-LSDHHAIUSA-N 1 3 280.481 3.439 20 0 CGADHO C[C@H](CCN)[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246301381 804267753 /nfs/dbraw/zinc/26/77/53/804267753.db2.gz SMRVBTLUVDPKMF-NXEZZACHSA-N 1 3 290.785 3.266 20 0 CGADHO CC[C@H]([NH3+])CCN[C@@H](C)CSc1ccc(F)cc1 ZINC001246307761 804270920 /nfs/dbraw/zinc/27/09/20/804270920.db2.gz OONUHINYAKHKTG-AAEUAGOBSA-N 1 3 270.417 3.023 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@H](C)CC2CCCCC2)CCN1 ZINC001246313281 804276066 /nfs/dbraw/zinc/27/60/66/804276066.db2.gz BXQZMFMSHYOXMA-BMFZPTHFSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246313673 804276227 /nfs/dbraw/zinc/27/62/27/804276227.db2.gz KCBMRXZSVWSAJV-RYUDHWBXSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246329424 804283798 /nfs/dbraw/zinc/28/37/98/804283798.db2.gz PWPGTQUQYLDVNR-MWQQHZPXSA-N 1 3 258.409 3.053 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C2CCC(C(C)C)CC2)CCN1 ZINC001246336926 804291319 /nfs/dbraw/zinc/29/13/19/804291319.db2.gz RPJUIJMSVRCGLS-GYTBAZASSA-N 1 3 252.446 3.321 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246347120 804297985 /nfs/dbraw/zinc/29/79/85/804297985.db2.gz GGPVDDOXTZHZHQ-ZWKOTPCHSA-N 1 3 286.463 3.444 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001246362731 804306196 /nfs/dbraw/zinc/30/61/96/804306196.db2.gz HBVPEOHIRGKTJJ-OAHLLOKOSA-N 1 3 287.451 3.420 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@@H]1CC[NH2+]CC1(C)C ZINC001246369984 804307999 /nfs/dbraw/zinc/30/79/99/804307999.db2.gz DQHCRPPWKALIAO-XHDPSFHLSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCNCC1(C)C ZINC001246369984 804308008 /nfs/dbraw/zinc/30/80/08/804308008.db2.gz DQHCRPPWKALIAO-XHDPSFHLSA-N 1 3 298.833 3.388 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCCNC1)c1ccc(C)cc1C ZINC001246375748 804309338 /nfs/dbraw/zinc/30/93/38/804309338.db2.gz KLEOQVNOXTWJGH-NVXWUHKLSA-N 1 3 260.425 3.486 20 0 CGADHO C[C@H]1CC[C@@H](NCCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246413232 804326544 /nfs/dbraw/zinc/32/65/44/804326544.db2.gz OOWIZDNBZIVAIY-XJKSGUPXSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411980 804326995 /nfs/dbraw/zinc/32/69/95/804326995.db2.gz HPMASLZYJUNZTO-XJKSGUPXSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246448420 804335819 /nfs/dbraw/zinc/33/58/19/804335819.db2.gz UJKWLFMTJVPLOD-HOCLYGCPSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001246459514 804340688 /nfs/dbraw/zinc/34/06/88/804340688.db2.gz KKUXHXGSJQEPNV-GASCZTMLSA-N 1 3 250.430 3.349 20 0 CGADHO CC1(C)CCC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246464365 804344559 /nfs/dbraw/zinc/34/45/59/804344559.db2.gz ZMJZMCAWBLMHLG-DOTOQJQBSA-N 1 3 264.457 3.467 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001246475212 804352109 /nfs/dbraw/zinc/35/21/09/804352109.db2.gz SNRPHMISFVXEDH-AKHDSKFASA-N 1 3 284.447 3.152 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)CC[C@@H]2C)CCN1 ZINC001246492112 804359193 /nfs/dbraw/zinc/35/91/93/804359193.db2.gz ABAPPSJSAKSQDC-JKJDWNRSSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CNC[C@H](C)C1 ZINC001246496308 804359924 /nfs/dbraw/zinc/35/99/24/804359924.db2.gz LOUTZVVKZBTYJV-DYEKYZERSA-N 1 3 298.883 3.408 20 0 CGADHO C[C@H]1C[NH2+]C[C@@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246500503 804362713 /nfs/dbraw/zinc/36/27/13/804362713.db2.gz WXPXEMUAMYALBW-BGTYHANMSA-N 1 3 272.436 3.300 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246499676 804362974 /nfs/dbraw/zinc/36/29/74/804362974.db2.gz UIMDLWKHXVXFJV-LUKYLMHMSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246499676 804362981 /nfs/dbraw/zinc/36/29/81/804362981.db2.gz UIMDLWKHXVXFJV-LUKYLMHMSA-N 1 3 258.409 3.053 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246515224 804370488 /nfs/dbraw/zinc/37/04/88/804370488.db2.gz KPFMSIVCJWAWQQ-CJNGLKHVSA-N 1 3 252.446 3.179 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246517538 804370709 /nfs/dbraw/zinc/37/07/09/804370709.db2.gz MOBUGHCWQKSOEQ-JKSUJKDBSA-N 1 3 254.462 3.425 20 0 CGADHO CC1(C)C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)CCN1 ZINC001246519275 804370975 /nfs/dbraw/zinc/37/09/75/804370975.db2.gz LPYSHTSRRXQRLG-GOSISDBHSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CNC1 ZINC001246517502 804372152 /nfs/dbraw/zinc/37/21/52/804372152.db2.gz LQFRTEJRLIERMH-MRXNPFEDSA-N 1 3 264.457 3.467 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+][C@H](C(C)C)C2CNC2)cc1 ZINC001246518071 804372594 /nfs/dbraw/zinc/37/25/94/804372594.db2.gz NVZXLVLLKBQFEK-RDTXWAMCSA-N 1 3 274.452 3.014 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246521143 804375636 /nfs/dbraw/zinc/37/56/36/804375636.db2.gz ZIPHEQKCMBVBMV-MOPGFXCFSA-N 1 3 288.479 3.477 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246521362 804377172 /nfs/dbraw/zinc/37/71/72/804377172.db2.gz ZTRGAXWDBIJEHI-HEHGZKQESA-N 1 3 252.446 3.035 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[C@@H]3C2)CCN1 ZINC001246526138 804378081 /nfs/dbraw/zinc/37/80/81/804378081.db2.gz MHCDJAXJQGHOFL-KLHDSHLOSA-N 1 3 250.430 3.029 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CC[C@@](C)([NH3+])C1 ZINC001246535935 804385099 /nfs/dbraw/zinc/38/50/99/804385099.db2.gz QUHBTODDCXOTPJ-IAGOWNOFSA-N 1 3 260.425 3.211 20 0 CGADHO CCC(C)(C)C1CCC(N2CCO[C@@H](CC[NH3+])C2)CC1 ZINC001246535413 804385276 /nfs/dbraw/zinc/38/52/76/804385276.db2.gz KYERFYZJNZOILZ-GPANFISMSA-N 1 3 282.472 3.031 20 0 CGADHO [NH3+][C@@H]1CCCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544798 804393789 /nfs/dbraw/zinc/39/37/89/804393789.db2.gz ZEUKZMBQCVQKSW-ZIAGYGMSSA-N 1 3 278.827 3.011 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246556608 804405854 /nfs/dbraw/zinc/40/58/54/804405854.db2.gz JREYSCRAFHFVIQ-CYBMUJFWSA-N 1 3 276.415 3.363 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246556608 804405855 /nfs/dbraw/zinc/40/58/55/804405855.db2.gz JREYSCRAFHFVIQ-CYBMUJFWSA-N 1 3 276.415 3.363 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001246563186 804412381 /nfs/dbraw/zinc/41/23/81/804412381.db2.gz JGACWQARNLIOJH-MPGHIAIKSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001246563186 804412386 /nfs/dbraw/zinc/41/23/86/804412386.db2.gz JGACWQARNLIOJH-MPGHIAIKSA-N 1 3 274.452 3.239 20 0 CGADHO CCC1CC[NH+]([C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246589978 804432325 /nfs/dbraw/zinc/43/23/25/804432325.db2.gz QRYALOGSEGKKQD-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610803 804444585 /nfs/dbraw/zinc/44/45/85/804444585.db2.gz NZYIRCSNJFBDAR-IKGGRYGDSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)CC(CC(C)C)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001246615808 804450959 /nfs/dbraw/zinc/45/09/59/804450959.db2.gz VVBACBNMIGFKMR-MRXNPFEDSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](Cc1ccccc1)N1CCC2(CCC[NH2+]2)CC1 ZINC001246626240 804457295 /nfs/dbraw/zinc/45/72/95/804457295.db2.gz USMNXFQVWIRJNO-QGZVFWFLSA-N 1 3 272.436 3.226 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246640106 804467428 /nfs/dbraw/zinc/46/74/28/804467428.db2.gz BEKVOECWZOFBQY-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCC12CCNCC2 ZINC001246640106 804467432 /nfs/dbraw/zinc/46/74/32/804467432.db2.gz BEKVOECWZOFBQY-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CCCCCC1CCC(N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246648381 804475615 /nfs/dbraw/zinc/47/56/15/804475615.db2.gz XYKBYLQDGYUUJP-ODZFXCKXSA-N 1 3 264.457 3.419 20 0 CGADHO c1ccc2c(c1)CCC21CCC([N@@H+]2C[C@H]3CCNC[C@H]32)CC1 ZINC001246663271 804484840 /nfs/dbraw/zinc/48/48/40/804484840.db2.gz LCGKNJIXDHIEJX-BXXUTWAOSA-N 1 3 296.458 3.107 20 0 CGADHO c1ccc2c(c1)CCC21CCC([N@H+]2C[C@H]3CCNC[C@H]32)CC1 ZINC001246663271 804484846 /nfs/dbraw/zinc/48/48/46/804484846.db2.gz LCGKNJIXDHIEJX-BXXUTWAOSA-N 1 3 296.458 3.107 20 0 CGADHO CCCCC1CC[NH+]([C@H]2CCN[C@@H](CC)C2)CC1 ZINC001246681820 804494756 /nfs/dbraw/zinc/49/47/56/804494756.db2.gz QYILBVHCBMGNOY-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246685669 804495924 /nfs/dbraw/zinc/49/59/24/804495924.db2.gz ARVDUXZRRCEMLR-LUKYLMHMSA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246685669 804495929 /nfs/dbraw/zinc/49/59/29/804495929.db2.gz ARVDUXZRRCEMLR-LUKYLMHMSA-N 1 3 284.463 3.471 20 0 CGADHO C[C@@H]1CCCCC[N@@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246767933 804501267 /nfs/dbraw/zinc/50/12/67/804501267.db2.gz DJLISHBJDAFMMI-KFWWJZLASA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CCCCC[N@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246767933 804501271 /nfs/dbraw/zinc/50/12/71/804501271.db2.gz DJLISHBJDAFMMI-KFWWJZLASA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774645 804505139 /nfs/dbraw/zinc/50/51/39/804505139.db2.gz GBCFVQRPYGIPGM-YOEHRIQHSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774645 804505143 /nfs/dbraw/zinc/50/51/43/804505143.db2.gz GBCFVQRPYGIPGM-YOEHRIQHSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774645 804505150 /nfs/dbraw/zinc/50/51/50/804505150.db2.gz GBCFVQRPYGIPGM-YOEHRIQHSA-N 1 3 268.404 3.412 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246781088 804508048 /nfs/dbraw/zinc/50/80/48/804508048.db2.gz XJKHSTNQARQSAN-SJORKVTESA-N 1 3 272.436 3.397 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246781088 804508053 /nfs/dbraw/zinc/50/80/53/804508053.db2.gz XJKHSTNQARQSAN-SJORKVTESA-N 1 3 272.436 3.397 20 0 CGADHO C[NH2+]C1CCN([C@H](Cc2ccccc2)CC(C)C)CC1 ZINC001246808477 804526886 /nfs/dbraw/zinc/52/68/86/804526886.db2.gz XJYNFIRZAMMDCC-SFHVURJKSA-N 1 3 274.452 3.328 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+](C)CC2CCCC2)CCN1 ZINC001246841626 804550237 /nfs/dbraw/zinc/55/02/37/804550237.db2.gz NPLXNLUQFLMZJZ-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+](C)CC2CCCC2)CCN1 ZINC001246841626 804550244 /nfs/dbraw/zinc/55/02/44/804550244.db2.gz NPLXNLUQFLMZJZ-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+](C)C[C@@H]2CCCNC2)cc1 ZINC001246841606 804550978 /nfs/dbraw/zinc/55/09/78/804550978.db2.gz NNTOQVILEWNLNE-FUHWJXTLSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+](C)C[C@@H]2CCCNC2)cc1 ZINC001246841606 804550980 /nfs/dbraw/zinc/55/09/80/804550980.db2.gz NNTOQVILEWNLNE-FUHWJXTLSA-N 1 3 274.452 3.248 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3C[C@@H]4CCNC[C@@H]4C3)C2)cc1 ZINC001246845018 804554792 /nfs/dbraw/zinc/55/47/92/804554792.db2.gz KHPIQVJGQZJIEO-HCXYKTFWSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@@H]4CCNC[C@@H]4C3)C2)cc1 ZINC001246845018 804554797 /nfs/dbraw/zinc/55/47/97/804554797.db2.gz KHPIQVJGQZJIEO-HCXYKTFWSA-N 1 3 284.447 3.254 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246845797 804554838 /nfs/dbraw/zinc/55/48/38/804554838.db2.gz LXSRINKTYKMMLS-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246845797 804554843 /nfs/dbraw/zinc/55/48/43/804554843.db2.gz LXSRINKTYKMMLS-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246893419 804585360 /nfs/dbraw/zinc/58/53/60/804585360.db2.gz KUGZKWPWIRPYIA-QAETUUGQSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)[N@H+](C)C1(C)CCNCC1 ZINC001246912452 804595037 /nfs/dbraw/zinc/59/50/37/804595037.db2.gz SMHFWPVVGMTDTR-CYBMUJFWSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)[N@@H+](C)C1(C)CCNCC1 ZINC001246912452 804595045 /nfs/dbraw/zinc/59/50/45/804595045.db2.gz SMHFWPVVGMTDTR-CYBMUJFWSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N(C)C1(C)CC[NH2+]CC1 ZINC001246912452 804595048 /nfs/dbraw/zinc/59/50/48/804595048.db2.gz SMHFWPVVGMTDTR-CYBMUJFWSA-N 1 3 296.455 3.380 20 0 CGADHO CC[C@H]1CC([N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)N1 ZINC001246918120 804599545 /nfs/dbraw/zinc/59/95/45/804599545.db2.gz WALPZKQSMSITMD-XGUBFFRZSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@H]1CC([N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)N1 ZINC001246918120 804599552 /nfs/dbraw/zinc/59/95/52/804599552.db2.gz WALPZKQSMSITMD-XGUBFFRZSA-N 1 3 252.446 3.274 20 0 CGADHO CCCCCC[C@H](CCCC)[N@@H+]1C[C@H]2CN[C@H]2C1 ZINC001246922030 804602803 /nfs/dbraw/zinc/60/28/03/804602803.db2.gz UGSNKGHPUWIAMV-PMPSAXMXSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@H](CCCC)[N@H+]1C[C@H]2CN[C@H]2C1 ZINC001246922030 804602804 /nfs/dbraw/zinc/60/28/04/804602804.db2.gz UGSNKGHPUWIAMV-PMPSAXMXSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC001246941417 804610042 /nfs/dbraw/zinc/61/00/42/804610042.db2.gz JVSAOFXCLZVMFG-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H]1CC([NH+]2CCC3(Cc4ccccc4N3)CC2)C[C@H](C)N1 ZINC001247003424 804636272 /nfs/dbraw/zinc/63/62/72/804636272.db2.gz SATUGOIDAPOABS-GJZGRUSLSA-N 1 3 299.462 3.018 20 0 CGADHO C[C@H]1CC(N2CCC3(Cc4ccccc4N3)CC2)C[C@H](C)[NH2+]1 ZINC001247003424 804636273 /nfs/dbraw/zinc/63/62/73/804636273.db2.gz SATUGOIDAPOABS-GJZGRUSLSA-N 1 3 299.462 3.018 20 0 CGADHO CC1(C)C[C@H]([NH+]2CCC3(Cc4ccccc4N3)CC2)CCN1 ZINC001247005421 804636906 /nfs/dbraw/zinc/63/69/06/804636906.db2.gz YKROIMVXWDUTMP-MRXNPFEDSA-N 1 3 299.462 3.020 20 0 CGADHO CC1(C)C[C@H](N2CCC3(Cc4ccccc4N3)CC2)CC[NH2+]1 ZINC001247005421 804636910 /nfs/dbraw/zinc/63/69/10/804636910.db2.gz YKROIMVXWDUTMP-MRXNPFEDSA-N 1 3 299.462 3.020 20 0 CGADHO Cc1ccc2cc(CN3CC4(C3)CC[NH+](C)CC4)ccc2n1 ZINC001141482611 804645900 /nfs/dbraw/zinc/64/59/00/804645900.db2.gz BMDWLDLTAIWIIT-UHFFFAOYSA-N 1 3 295.430 3.071 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc(F)c2cc[nH]c21 ZINC001248818603 805005190 /nfs/dbraw/zinc/00/51/90/805005190.db2.gz STRGTNJUFXCWAY-UHFFFAOYSA-N 1 3 291.414 3.471 20 0 CGADHO Cc1ccc2c(ccc(C)c2CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001167100893 807150493 /nfs/dbraw/zinc/15/04/93/807150493.db2.gz QBHUFIIMQOKCFJ-CALCHBBNSA-N 1 3 280.415 3.108 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001258006032 807264719 /nfs/dbraw/zinc/26/47/19/807264719.db2.gz DAMLIWWHYREWPC-ZWKOTPCHSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001258008645 807265427 /nfs/dbraw/zinc/26/54/27/807265427.db2.gz BFTKOAJNIJONDQ-GOSISDBHSA-N 1 3 287.451 3.169 20 0 CGADHO C[C@@H]1C[C@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142417 807323582 /nfs/dbraw/zinc/32/35/82/807323582.db2.gz CRAPJCDNYRVAGM-CRAIPNDOSA-N 1 3 294.483 3.283 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142417 807323590 /nfs/dbraw/zinc/32/35/90/807323590.db2.gz CRAPJCDNYRVAGM-CRAIPNDOSA-N 1 3 294.483 3.283 20 0 CGADHO C[NH+](C)C1CCC(NCc2c(F)cc(F)cc2F)CC1 ZINC001168298176 807374678 /nfs/dbraw/zinc/37/46/78/807374678.db2.gz CLTAMMCJWUSZAX-UHFFFAOYSA-N 1 3 286.341 3.066 20 0 CGADHO C[N@H+](CCc1ccccc1F)C1CCN(CC2CC2)CC1 ZINC001168389968 807401230 /nfs/dbraw/zinc/40/12/30/807401230.db2.gz ZKIGKNYFFGNXNX-UHFFFAOYSA-N 1 3 290.426 3.174 20 0 CGADHO C[N@@H+](CCc1ccccc1F)C1CCN(CC2CC2)CC1 ZINC001168389968 807401235 /nfs/dbraw/zinc/40/12/35/807401235.db2.gz ZKIGKNYFFGNXNX-UHFFFAOYSA-N 1 3 290.426 3.174 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168396729 807403739 /nfs/dbraw/zinc/40/37/39/807403739.db2.gz IFNRFNUIGACCDH-KRWDZBQOSA-N 1 3 278.415 3.005 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H](C)CC1CC1 ZINC001258453489 807459523 /nfs/dbraw/zinc/45/95/23/807459523.db2.gz AZZBMWHERDOTRM-CABCVRRESA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H](C)CC1CC1 ZINC001258453489 807459525 /nfs/dbraw/zinc/45/95/25/807459525.db2.gz AZZBMWHERDOTRM-CABCVRRESA-N 1 3 260.425 3.272 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccccc1)C1CC1)C2 ZINC001169080369 807569109 /nfs/dbraw/zinc/56/91/09/807569109.db2.gz MWJQCKIWMWTBQQ-MHORFTMASA-N 1 3 270.420 3.353 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccccc1)C1CC1)C2 ZINC001169080369 807569112 /nfs/dbraw/zinc/56/91/12/807569112.db2.gz MWJQCKIWMWTBQQ-MHORFTMASA-N 1 3 270.420 3.353 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)c1ccccc1)C2 ZINC001169081067 807569595 /nfs/dbraw/zinc/56/95/95/807569595.db2.gz PKMPKBODICMERB-PHZGNYQRSA-N 1 3 258.409 3.137 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)c1ccccc1)C2 ZINC001169081067 807569599 /nfs/dbraw/zinc/56/95/99/807569599.db2.gz PKMPKBODICMERB-PHZGNYQRSA-N 1 3 258.409 3.137 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169108669 807579624 /nfs/dbraw/zinc/57/96/24/807579624.db2.gz UXSVYCHMRZAAFU-IVSAIRAKSA-N 1 3 286.419 3.033 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)Cc1cccc(Cl)c1 ZINC001258737854 807583833 /nfs/dbraw/zinc/58/38/33/807583833.db2.gz IGHSDSISZLVOLT-ZDUSSCGKSA-N 1 3 268.832 3.332 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1cccc(Cl)c1 ZINC001258737854 807583836 /nfs/dbraw/zinc/58/38/36/807583836.db2.gz IGHSDSISZLVOLT-ZDUSSCGKSA-N 1 3 268.832 3.332 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCc3c2cccc3Cl)CC1 ZINC001169230100 807609387 /nfs/dbraw/zinc/60/93/87/807609387.db2.gz PXGQVQXUMNDPRV-INIZCTEOSA-N 1 3 278.827 3.401 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CCN(c2ccncc2)CC1 ZINC001258789033 807614467 /nfs/dbraw/zinc/61/44/67/807614467.db2.gz UYNVNMVXDCDKRI-HZPDHXFCSA-N 1 3 275.440 3.418 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC001170113883 807763147 /nfs/dbraw/zinc/76/31/47/807763147.db2.gz XFTDMELBDZAXKY-ZFWWWQNUSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CC[C@@H](N2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117371 807764130 /nfs/dbraw/zinc/76/41/30/807764130.db2.gz KUTJNXWAFGTDIW-CZUORRHYSA-N 1 3 276.399 3.264 20 0 CGADHO COc1cccc(C2([NH3+])CCN([C@@H]3CC[C@H](C)C3)CC2)c1 ZINC001170124589 807768776 /nfs/dbraw/zinc/76/87/76/807768776.db2.gz YBPZSJQXQLACGK-GOEBONIOSA-N 1 3 288.435 3.134 20 0 CGADHO [NH3+]CCc1cc2ccccc2n1-c1c[nH]cc2ccnc1-2 ZINC001171305709 808024829 /nfs/dbraw/zinc/02/48/29/808024829.db2.gz WJPYIIKNWPQYPB-UHFFFAOYSA-N 1 3 276.343 3.008 20 0 CGADHO [NH3+]CCc1cc2ccccc2n1-c1cncc2cc[nH]c21 ZINC001171305709 808024831 /nfs/dbraw/zinc/02/48/31/808024831.db2.gz WJPYIIKNWPQYPB-UHFFFAOYSA-N 1 3 276.343 3.008 20 0 CGADHO Cc1ccc(CC[C@@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC001171665775 808116911 /nfs/dbraw/zinc/11/69/11/808116911.db2.gz PKZBFUMOWPDNAY-MRXNPFEDSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH+]2CCC(N(C)C)CC2)cc1 ZINC001171665775 808116916 /nfs/dbraw/zinc/11/69/16/808116916.db2.gz PKZBFUMOWPDNAY-MRXNPFEDSA-N 1 3 274.452 3.342 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC001171752190 808131320 /nfs/dbraw/zinc/13/13/20/808131320.db2.gz QQSVFYVUXQZJMU-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001171752190 808131323 /nfs/dbraw/zinc/13/13/23/808131323.db2.gz QQSVFYVUXQZJMU-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3cnccc31)C2 ZINC001172108912 808178267 /nfs/dbraw/zinc/17/82/67/808178267.db2.gz ABCZNXYLCFUUQU-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3cnccc31)C2 ZINC001172108912 808178269 /nfs/dbraw/zinc/17/82/69/808178269.db2.gz ABCZNXYLCFUUQU-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO COc1cccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172122738 808185616 /nfs/dbraw/zinc/18/56/16/808185616.db2.gz TZHNECLXDBTIBE-FVQHAEBGSA-N 1 3 288.435 3.142 20 0 CGADHO COc1cccc(CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172122738 808185617 /nfs/dbraw/zinc/18/56/17/808185617.db2.gz TZHNECLXDBTIBE-FVQHAEBGSA-N 1 3 288.435 3.142 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3cccc(F)c3C1)C2 ZINC001172124558 808185940 /nfs/dbraw/zinc/18/59/40/808185940.db2.gz LLMBHBIUPZUKHN-FICVDOATSA-N 1 3 274.383 3.157 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3cccc(F)c3C1)C2 ZINC001172124558 808185943 /nfs/dbraw/zinc/18/59/43/808185943.db2.gz LLMBHBIUPZUKHN-FICVDOATSA-N 1 3 274.383 3.157 20 0 CGADHO CC(C)OCC[C@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172435165 808311136 /nfs/dbraw/zinc/31/11/36/808311136.db2.gz YOJVMFSVCWTSDW-FUHWJXTLSA-N 1 3 292.467 3.473 20 0 CGADHO CC(C)OCC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172444328 808319348 /nfs/dbraw/zinc/31/93/48/808319348.db2.gz VJPZKWVNIJIIIB-OAHLLOKOSA-N 1 3 282.472 3.187 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173276840 808579881 /nfs/dbraw/zinc/57/98/81/808579881.db2.gz VYOCPAVFPRXFGG-YJBOKZPZSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([N@H+](CC)[C@H]3CCOC3)CC2)C1 ZINC001173288561 808588343 /nfs/dbraw/zinc/58/83/43/808588343.db2.gz NNGHIBYERAICQA-NJAFHUGGSA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)C1 ZINC001173288561 808588347 /nfs/dbraw/zinc/58/83/47/808588347.db2.gz NNGHIBYERAICQA-NJAFHUGGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1CC(N)C1 ZINC001173553440 808645883 /nfs/dbraw/zinc/64/58/83/808645883.db2.gz YGOWKTYFYDGXFN-GCVQQVDUSA-N 1 3 287.234 3.394 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)NC1CC([NH3+])C1 ZINC001173553440 808645889 /nfs/dbraw/zinc/64/58/89/808645889.db2.gz YGOWKTYFYDGXFN-GCVQQVDUSA-N 1 3 287.234 3.394 20 0 CGADHO Cc1cc(O)cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001275593526 808950292 /nfs/dbraw/zinc/95/02/92/808950292.db2.gz BOLSESUZVSQRJC-UHFFFAOYSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1cc(O)cc(CN2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001275593526 808950297 /nfs/dbraw/zinc/95/02/97/808950297.db2.gz BOLSESUZVSQRJC-UHFFFAOYSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1cc(CN2CCC3(CC[N@@H+](C)C3)CC2)ccc1F ZINC001276229955 808994746 /nfs/dbraw/zinc/99/47/46/808994746.db2.gz KWBYVTMVWYVPCB-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cc(CN2CCC3(CC[N@H+](C)C3)CC2)ccc1F ZINC001276229955 808994752 /nfs/dbraw/zinc/99/47/52/808994752.db2.gz KWBYVTMVWYVPCB-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2C)C1 ZINC001199843591 811601966 /nfs/dbraw/zinc/60/19/66/811601966.db2.gz PIJOMCAFZAORLF-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC(C)(C)C ZINC001201443800 811850254 /nfs/dbraw/zinc/85/02/54/811850254.db2.gz VIUZQNCFMKVKCX-GJZGRUSLSA-N 1 3 252.446 3.371 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC(C)(C)C ZINC001201443800 811850263 /nfs/dbraw/zinc/85/02/63/811850263.db2.gz VIUZQNCFMKVKCX-GJZGRUSLSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201511382 811877247 /nfs/dbraw/zinc/87/72/47/811877247.db2.gz LDCMOWZDSZMBTD-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@@H](C)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201511382 811877251 /nfs/dbraw/zinc/87/72/51/811877251.db2.gz LDCMOWZDSZMBTD-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626962 811924316 /nfs/dbraw/zinc/92/43/16/811924316.db2.gz QQDFQGSJWZVJJZ-RBUKOAKNSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626962 811924320 /nfs/dbraw/zinc/92/43/20/811924320.db2.gz QQDFQGSJWZVJJZ-RBUKOAKNSA-N 1 3 286.463 3.486 20 0 CGADHO C[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001201858043 811972181 /nfs/dbraw/zinc/97/21/81/811972181.db2.gz YQEYAHZVIJRZNW-YOEHRIQHSA-N 1 3 264.457 3.419 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC001204002525 812516234 /nfs/dbraw/zinc/51/62/34/812516234.db2.gz SVKRWAVTNYTERT-OALUTQOASA-N 1 3 280.415 3.223 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c[nH]c3ccccc23)CC1 ZINC001204042966 812529616 /nfs/dbraw/zinc/52/96/16/812529616.db2.gz IZUYXFVHYXDRGJ-UHFFFAOYSA-N 1 3 271.408 3.084 20 0 CGADHO [NH3+]CCCCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC001204877461 812760396 /nfs/dbraw/zinc/76/03/96/812760396.db2.gz JTVXNSPHMXFODE-IBGZPJMESA-N 1 3 297.446 3.412 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@@H](N)CC1 ZINC001205095587 812860885 /nfs/dbraw/zinc/86/08/85/812860885.db2.gz ZQTWIFDYWPMNNM-JKSUJKDBSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@H](N)CC1 ZINC001205095587 812860891 /nfs/dbraw/zinc/86/08/91/812860891.db2.gz ZQTWIFDYWPMNNM-JKSUJKDBSA-N 1 3 284.488 3.421 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc3ccccc3c2)CC1 ZINC001205095548 812861081 /nfs/dbraw/zinc/86/10/81/812861081.db2.gz YQUOBRQWZOMQFB-QGZVFWFLSA-N 1 3 254.377 3.153 20 0 CGADHO Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc(C)c1OC(C)C ZINC001205156482 812890761 /nfs/dbraw/zinc/89/07/61/812890761.db2.gz XPDKVCCJFJRJTF-DOTOQJQBSA-N 1 3 290.451 3.117 20 0 CGADHO COc1cc(C)c(CN2CCC[C@@](C)([NH3+])CC2)cc1C ZINC001205257932 812919377 /nfs/dbraw/zinc/91/93/77/812919377.db2.gz YRUZNAXTLCKYRX-QGZVFWFLSA-N 1 3 276.424 3.015 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2ccc3occc3c2)CC1 ZINC001205272990 812925209 /nfs/dbraw/zinc/92/52/09/812925209.db2.gz BVRVLEDEQGURTJ-INIZCTEOSA-N 1 3 258.365 3.136 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2coc3ccccc23)CC1 ZINC001205274606 812926039 /nfs/dbraw/zinc/92/60/39/812926039.db2.gz YQUYTTDWCWYBGG-INIZCTEOSA-N 1 3 258.365 3.136 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(-c3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC001205303356 812941061 /nfs/dbraw/zinc/94/10/61/812941061.db2.gz CVIHFSQDKONFNA-BEFAXECRSA-N 1 3 295.430 3.165 20 0 CGADHO CCCc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205305004 812944444 /nfs/dbraw/zinc/94/44/44/812944444.db2.gz QMCAMWNATFZKCB-YOEHRIQHSA-N 1 3 260.425 3.056 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001205902802 813124232 /nfs/dbraw/zinc/12/42/32/813124232.db2.gz LURBVIZIIAUKPP-JJXSEGSLSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001205902802 813124237 /nfs/dbraw/zinc/12/42/37/813124237.db2.gz LURBVIZIIAUKPP-JJXSEGSLSA-N 1 3 250.430 3.038 20 0 CGADHO CCn1ccc2ccc(CN3CCC[C@H](C[NH3+])[C@@H]3C)cc21 ZINC001205905233 813127474 /nfs/dbraw/zinc/12/74/74/813127474.db2.gz ZKRFZJFXENCRLB-WMLDXEAASA-N 1 3 285.435 3.220 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923036 813136171 /nfs/dbraw/zinc/13/61/71/813136171.db2.gz GYDFSWVJZRQTHX-HZPDHXFCSA-N 1 3 290.451 3.341 20 0 CGADHO C[C@@H]1CN(Cc2ccsc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011136 813164181 /nfs/dbraw/zinc/16/41/81/813164181.db2.gz AFAZXBDAFALCRL-GHMZBOCLSA-N 1 3 272.845 3.208 20 0 CGADHO Cc1cc(F)c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC001206023170 813168970 /nfs/dbraw/zinc/16/89/70/813168970.db2.gz DKVPIIXMZMUYHG-STQMWFEESA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036417 813175929 /nfs/dbraw/zinc/17/59/29/813175929.db2.gz JIBJLVKADOHOOB-WXYCVUISSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036417 813175934 /nfs/dbraw/zinc/17/59/34/813175934.db2.gz JIBJLVKADOHOOB-WXYCVUISSA-N 1 3 278.827 3.113 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1OC(C)C ZINC001206183693 813230562 /nfs/dbraw/zinc/23/05/62/813230562.db2.gz HADFOTBWPFDDPS-CVEARBPZSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1OC(C)C ZINC001206183693 813230569 /nfs/dbraw/zinc/23/05/69/813230569.db2.gz HADFOTBWPFDDPS-CVEARBPZSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1c(C)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1Cl ZINC001206214159 813244252 /nfs/dbraw/zinc/24/42/52/813244252.db2.gz XMJCAEJSJDMGML-CABCVRRESA-N 1 3 284.806 3.218 20 0 CGADHO Cc1c(C)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)ccc1Cl ZINC001206214159 813244254 /nfs/dbraw/zinc/24/42/54/813244254.db2.gz XMJCAEJSJDMGML-CABCVRRESA-N 1 3 284.806 3.218 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cc(Cl)ccc2F)CC1 ZINC001206303163 813279222 /nfs/dbraw/zinc/27/92/22/813279222.db2.gz CCRVRUXPVZSGAI-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc3ncccc3c2)C1 ZINC001206549369 813349053 /nfs/dbraw/zinc/34/90/53/813349053.db2.gz MBCFDPZBIHPMKH-GOSISDBHSA-N 1 3 283.419 3.186 20 0 CGADHO COc1c(C)cc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206549388 813349617 /nfs/dbraw/zinc/34/96/17/813349617.db2.gz MDRDIFUOPWFMGS-SFHVURJKSA-N 1 3 290.451 3.263 20 0 CGADHO Cc1sccc1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573870 813359073 /nfs/dbraw/zinc/35/90/73/813359073.db2.gz ONIXHFSCDVQKSJ-AWEZNQCLSA-N 1 3 252.427 3.007 20 0 CGADHO CC(C)[N@H+](CC1CCCCC1)[C@H]1CCCNCC1 ZINC001206583466 813363527 /nfs/dbraw/zinc/36/35/27/813363527.db2.gz VAMURLJVUCFXBP-INIZCTEOSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[N@@H+](CC1CCCCC1)[C@H]1CCCNCC1 ZINC001206583466 813363535 /nfs/dbraw/zinc/36/35/35/813363535.db2.gz VAMURLJVUCFXBP-INIZCTEOSA-N 1 3 252.446 3.419 20 0 CGADHO CCOc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1CC ZINC001206622481 813377574 /nfs/dbraw/zinc/37/75/74/813377574.db2.gz CPXMULRBVYUROM-MRXNPFEDSA-N 1 3 290.451 3.209 20 0 CGADHO C[C@H]1CC[C@H](C[NH3+])CN1CCCc1ccccc1Cl ZINC001206760476 813425405 /nfs/dbraw/zinc/42/54/05/813425405.db2.gz HHRDHBUZVUCFAD-UONOGXRCSA-N 1 3 280.843 3.332 20 0 CGADHO Cc1cc(F)cc(C)c1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805232 813442105 /nfs/dbraw/zinc/44/21/05/813442105.db2.gz AZQFQCWSGANNHD-ZIAGYGMSSA-N 1 3 264.388 3.002 20 0 CGADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CCCC1CCCCC1)C2 ZINC001207609392 813612516 /nfs/dbraw/zinc/61/25/16/813612516.db2.gz YRQIGQNPHWSDTL-IAGOWNOFSA-N 1 3 264.457 3.230 20 0 CGADHO C[NH+]1CCC(C)(CN2CCc3cccc(Cl)c3C2)CC1 ZINC001208109586 813694871 /nfs/dbraw/zinc/69/48/71/813694871.db2.gz PSBGQYFXOJWGTQ-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CC/C=C\CCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001208135584 813700625 /nfs/dbraw/zinc/70/06/25/813700625.db2.gz IKNWTYKEYHZRQT-XFHJGTJQSA-N 1 3 294.483 3.308 20 0 CGADHO CS[C@H](C)CC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001208140221 813706242 /nfs/dbraw/zinc/70/62/42/813706242.db2.gz DVEKGPGUPUYDFT-HZPDHXFCSA-N 1 3 284.513 3.468 20 0 CGADHO CS[C@H](C)CC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001208140221 813706247 /nfs/dbraw/zinc/70/62/47/813706247.db2.gz DVEKGPGUPUYDFT-HZPDHXFCSA-N 1 3 284.513 3.468 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@@H]2C1 ZINC001208172096 813725374 /nfs/dbraw/zinc/72/53/74/813725374.db2.gz YOKKARSYJCYZMK-XLAORIBOSA-N 1 3 276.468 3.252 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@@H]2C1 ZINC001208172096 813725377 /nfs/dbraw/zinc/72/53/77/813725377.db2.gz YOKKARSYJCYZMK-XLAORIBOSA-N 1 3 276.468 3.252 20 0 CGADHO C[C@@H](CC[NH+]1CCC2(CN(C)C2)CC1)CC(C)(C)C ZINC001208665734 813789933 /nfs/dbraw/zinc/78/99/33/813789933.db2.gz RXWOLYPDBTUKCK-HNNXBMFYSA-N 1 3 266.473 3.476 20 0 CGADHO FC1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931410 813904985 /nfs/dbraw/zinc/90/49/85/813904985.db2.gz JJIBSHKBOWSKEC-KRWDZBQOSA-N 1 3 290.426 3.333 20 0 CGADHO FC1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931410 813904989 /nfs/dbraw/zinc/90/49/89/813904989.db2.gz JJIBSHKBOWSKEC-KRWDZBQOSA-N 1 3 290.426 3.333 20 0 CGADHO c1ccc(CN2CCC[C@@H](C[NH+]3CC4CC(C4)C3)C2)cc1 ZINC001208947067 813908696 /nfs/dbraw/zinc/90/86/96/813908696.db2.gz YLCSFULFUAXWDR-LMDPOFIKSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CC4CC(C4)C3)C2)cc1 ZINC001208947067 813908700 /nfs/dbraw/zinc/90/87/00/813908700.db2.gz YLCSFULFUAXWDR-LMDPOFIKSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CC4CC(C4)C3)C2)cc1 ZINC001208947067 813908707 /nfs/dbraw/zinc/90/87/07/813908707.db2.gz YLCSFULFUAXWDR-LMDPOFIKSA-N 1 3 284.447 3.240 20 0 CGADHO CN1CC2(C1)CC[NH+](CCc1ccc(F)cc1Cl)CC2 ZINC001209114275 813938392 /nfs/dbraw/zinc/93/83/92/813938392.db2.gz FNKKSWXJLYXQNN-UHFFFAOYSA-N 1 3 296.817 3.049 20 0 CGADHO C[NH+]1CC2(C1)CCN(CCc1ccc(F)cc1Cl)CC2 ZINC001209114275 813938396 /nfs/dbraw/zinc/93/83/96/813938396.db2.gz FNKKSWXJLYXQNN-UHFFFAOYSA-N 1 3 296.817 3.049 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c(C)[nH]c2ncccc12 ZINC001209594976 814094763 /nfs/dbraw/zinc/09/47/63/814094763.db2.gz KUQPGNLQKAPYPO-UHFFFAOYSA-N 1 3 288.439 3.035 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC001222141417 816357523 /nfs/dbraw/zinc/35/75/23/816357523.db2.gz KWCSWMPYDLTJDN-GVDBMIGSSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC001222141417 816357530 /nfs/dbraw/zinc/35/75/30/816357530.db2.gz KWCSWMPYDLTJDN-GVDBMIGSSA-N 1 3 262.441 3.054 20 0 CGADHO c1cc2c(cccc2CN2CCC[C@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222265794 816391719 /nfs/dbraw/zinc/39/17/19/816391719.db2.gz ZDIBEDNRPTVCBQ-SFHVURJKSA-N 1 3 283.419 3.134 20 0 CGADHO C[NH2+]Cc1cccc(-c2ccc3c(N)ccnc3c2)c1 ZINC001242998202 823205017 /nfs/dbraw/zinc/20/50/17/823205017.db2.gz ISUGTEGBZFQDRF-UHFFFAOYSA-N 1 3 263.344 3.203 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3ccc(CC(C)C)cc3)C[C@H]2C1 ZINC001231790467 818177299 /nfs/dbraw/zinc/17/72/99/818177299.db2.gz VEWYAEGLWDFTRM-RTBURBONSA-N 1 3 286.463 3.269 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCCC23CC3)c1 ZINC001232143287 818262728 /nfs/dbraw/zinc/26/27/28/818262728.db2.gz APBSZEANJUPAGR-UHFFFAOYSA-N 1 3 262.372 3.016 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCCC23CC3)c1 ZINC001232143287 818262731 /nfs/dbraw/zinc/26/27/31/818262731.db2.gz APBSZEANJUPAGR-UHFFFAOYSA-N 1 3 262.372 3.016 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CCCC23CC3)c1 ZINC001232143287 818262737 /nfs/dbraw/zinc/26/27/37/818262737.db2.gz APBSZEANJUPAGR-UHFFFAOYSA-N 1 3 262.372 3.016 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232143862 818263331 /nfs/dbraw/zinc/26/33/31/818263331.db2.gz IULYJNYOHHGXHR-CYBMUJFWSA-N 1 3 264.388 3.119 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232143862 818263338 /nfs/dbraw/zinc/26/33/38/818263338.db2.gz IULYJNYOHHGXHR-CYBMUJFWSA-N 1 3 264.388 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC23CCCC3)c1 ZINC001232145164 818263564 /nfs/dbraw/zinc/26/35/64/818263564.db2.gz WSEPGLWBRMUHAZ-UHFFFAOYSA-N 1 3 276.399 3.406 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC23CCCC3)c1 ZINC001232145164 818263571 /nfs/dbraw/zinc/26/35/71/818263571.db2.gz WSEPGLWBRMUHAZ-UHFFFAOYSA-N 1 3 276.399 3.406 20 0 CGADHO Fc1ccc(CCCN2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235042567 818988964 /nfs/dbraw/zinc/98/89/64/818988964.db2.gz XQBNCFDSKAVTLU-SFHVURJKSA-N 1 3 290.426 3.366 20 0 CGADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCCC23CCNCC3)CC1 ZINC001235140795 819014813 /nfs/dbraw/zinc/01/48/13/819014813.db2.gz NWKMUBQJWATQHV-CVEARBPZSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@@H](C)[C@H](C[N@H+]2CCCC23CCNCC3)CC1 ZINC001235140795 819014819 /nfs/dbraw/zinc/01/48/19/819014819.db2.gz NWKMUBQJWATQHV-CVEARBPZSA-N 1 3 262.441 3.197 20 0 CGADHO Cc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235231451 819042053 /nfs/dbraw/zinc/04/20/53/819042053.db2.gz YQMVJQMCDBYQRA-GOSISDBHSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1c(CN2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cccc1-c1ccccc1 ZINC001235286275 819061772 /nfs/dbraw/zinc/06/17/72/819061772.db2.gz YTKRFXVKQNUWJO-REPLKXPHSA-N 1 3 278.399 3.051 20 0 CGADHO CC(C)c1ccccc1C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235400626 819084779 /nfs/dbraw/zinc/08/47/79/819084779.db2.gz DPXLEVSKIXVAKI-QZTJIDSGSA-N 1 3 290.426 3.334 20 0 CGADHO CC(C)c1ccccc1C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235400626 819084785 /nfs/dbraw/zinc/08/47/85/819084785.db2.gz DPXLEVSKIXVAKI-QZTJIDSGSA-N 1 3 290.426 3.334 20 0 CGADHO CCC(C)(C)c1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC001235750934 819160798 /nfs/dbraw/zinc/16/07/98/819160798.db2.gz TXJDZJBNMZCKNC-HNNXBMFYSA-N 1 3 260.425 3.155 20 0 CGADHO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001236110651 819325885 /nfs/dbraw/zinc/32/58/85/819325885.db2.gz DRZOOQMYKPZQIA-AWEZNQCLSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001236110651 819325889 /nfs/dbraw/zinc/32/58/89/819325889.db2.gz DRZOOQMYKPZQIA-AWEZNQCLSA-N 1 3 264.438 3.014 20 0 CGADHO CCC[N@H+](Cc1cc(C)c(C)s1)C1CCNCC1 ZINC001236184028 819359046 /nfs/dbraw/zinc/35/90/46/819359046.db2.gz DQMQKAIVFIRZOS-UHFFFAOYSA-N 1 3 266.454 3.329 20 0 CGADHO CCC[N@@H+](Cc1cc(C)c(C)s1)C1CCNCC1 ZINC001236184028 819359053 /nfs/dbraw/zinc/35/90/53/819359053.db2.gz DQMQKAIVFIRZOS-UHFFFAOYSA-N 1 3 266.454 3.329 20 0 CGADHO CCCN(Cc1cc(C)c(C)s1)C1CC[NH2+]CC1 ZINC001236184028 819359060 /nfs/dbraw/zinc/35/90/60/819359060.db2.gz DQMQKAIVFIRZOS-UHFFFAOYSA-N 1 3 266.454 3.329 20 0 CGADHO CCc1cccc(C)c1C[N@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001236215184 819377685 /nfs/dbraw/zinc/37/76/85/819377685.db2.gz HMWGCCMTJSJEEN-DLBZAZTESA-N 1 3 260.425 3.259 20 0 CGADHO CCc1cccc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1N ZINC001236215184 819377690 /nfs/dbraw/zinc/37/76/90/819377690.db2.gz HMWGCCMTJSJEEN-DLBZAZTESA-N 1 3 260.425 3.259 20 0 CGADHO CN(Cc1c[nH]c2cccc(Cl)c12)C1(C)CC[NH2+]CC1 ZINC001236227102 819390696 /nfs/dbraw/zinc/39/06/96/819390696.db2.gz ZUEUPSCUNBYGBU-UHFFFAOYSA-N 1 3 291.826 3.395 20 0 CGADHO [NH3+]Cc1ccc(CN2CCSc3ccccc3C2)cc1 ZINC001236242634 819401319 /nfs/dbraw/zinc/40/13/19/819401319.db2.gz ZRXCFSRWLUNNSI-UHFFFAOYSA-N 1 3 284.428 3.253 20 0 CGADHO Cc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)cc1Cl ZINC001236320832 819424033 /nfs/dbraw/zinc/42/40/33/819424033.db2.gz KMAUJTWKADXSST-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO CS[C@@H](C)CC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372614 819441565 /nfs/dbraw/zinc/44/15/65/819441565.db2.gz QWZGXVUYZYDYSY-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CS[C@@H](C)CC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372614 819441570 /nfs/dbraw/zinc/44/15/70/819441570.db2.gz QWZGXVUYZYDYSY-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CCCCc1ccc(CN(CC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236409120 819455626 /nfs/dbraw/zinc/45/56/26/819455626.db2.gz RVECMWLUZNOOMB-GOSISDBHSA-N 1 3 274.452 3.461 20 0 CGADHO CCN(Cc1c(C)cc(OC)c(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236409797 819457558 /nfs/dbraw/zinc/45/75/58/819457558.db2.gz WVDRCOFIAPPSMA-INIZCTEOSA-N 1 3 290.451 3.052 20 0 CGADHO CCN(Cc1cccc2sccc21)C[C@@H]1CC[NH2+]C1 ZINC001236411702 819459192 /nfs/dbraw/zinc/45/91/92/819459192.db2.gz ONIATSYLGQZQNC-CYBMUJFWSA-N 1 3 274.433 3.333 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417157 819463170 /nfs/dbraw/zinc/46/31/70/819463170.db2.gz XLQSQEGQCRXRHL-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417157 819463174 /nfs/dbraw/zinc/46/31/74/819463174.db2.gz XLQSQEGQCRXRHL-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](N)[C@@H]1C ZINC001236417627 819463739 /nfs/dbraw/zinc/46/37/39/819463739.db2.gz CKFKHXJAZLHFHH-KBXCAEBGSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](N)[C@@H]1C ZINC001236417627 819463743 /nfs/dbraw/zinc/46/37/43/819463743.db2.gz CKFKHXJAZLHFHH-KBXCAEBGSA-N 1 3 268.404 3.460 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC001236817239 819606266 /nfs/dbraw/zinc/60/62/66/819606266.db2.gz AMUUBVUPZJYUEC-RCBQFDQVSA-N 1 3 278.465 3.260 20 0 CGADHO CCCN(CCc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236832339 819611347 /nfs/dbraw/zinc/61/13/47/819611347.db2.gz UTSSYVKUMRLLHZ-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCCN(Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236833393 819613600 /nfs/dbraw/zinc/61/36/00/819613600.db2.gz ANPDTBJEXWYTRK-CQSZACIVSA-N 1 3 266.816 3.162 20 0 CGADHO CCCN(Cc1ccc(OC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835971 819615701 /nfs/dbraw/zinc/61/57/01/819615701.db2.gz RIPPNPTYLOXTIU-AWEZNQCLSA-N 1 3 298.377 3.110 20 0 CGADHO CCCN(Cc1cc(Cl)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236842963 819618428 /nfs/dbraw/zinc/61/84/28/819618428.db2.gz IKYNASIMNFESEL-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO CCCN(Cc1cc(OCC)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236843261 819618434 /nfs/dbraw/zinc/61/84/34/819618434.db2.gz GHKYSTAYXAKMQX-MRXNPFEDSA-N 1 3 290.451 3.215 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC001236950861 819638226 /nfs/dbraw/zinc/63/82/26/819638226.db2.gz QKQFZSSOPMVUGY-OALUTQOASA-N 1 3 286.463 3.331 20 0 CGADHO c1ccc(CC[C@@H]2CCC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC001236950861 819638228 /nfs/dbraw/zinc/63/82/28/819638228.db2.gz QKQFZSSOPMVUGY-OALUTQOASA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H](N)C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266583 819711830 /nfs/dbraw/zinc/71/18/30/819711830.db2.gz XENPHOVFLYCWNC-ZFWWWQNUSA-N 1 3 276.424 3.000 20 0 CGADHO C[C@H](N)C[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237266583 819711835 /nfs/dbraw/zinc/71/18/35/819711835.db2.gz XENPHOVFLYCWNC-ZFWWWQNUSA-N 1 3 276.424 3.000 20 0 CGADHO CN(Cc1cnc(-c2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC001237369849 819736826 /nfs/dbraw/zinc/73/68/26/819736826.db2.gz CHHYNNVIEVXPTB-UHFFFAOYSA-N 1 3 299.418 3.115 20 0 CGADHO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1C[C@H]1CCCNC1 ZINC001339934647 936391718 /nfs/dbraw/zinc/39/17/18/936391718.db2.gz VHSJJNDAJBAEOA-RDJZCZTQSA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CCCNC1 ZINC001339934647 936391722 /nfs/dbraw/zinc/39/17/22/936391722.db2.gz VHSJJNDAJBAEOA-RDJZCZTQSA-N 1 3 272.436 3.254 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC001349911890 936968377 /nfs/dbraw/zinc/96/83/77/936968377.db2.gz SCJKGLKRQDNKMB-DZGCQCFKSA-N 1 3 288.439 3.052 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cccs1 ZINC000399019625 926754586 /nfs/dbraw/zinc/75/45/86/926754586.db2.gz DPUGDHFNQPRIFW-UPJWGTAASA-N 1 3 252.427 3.319 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590558 937492483 /nfs/dbraw/zinc/49/24/83/937492483.db2.gz XQYXEHPLEBZVMT-KURKYZTESA-N 1 3 290.426 3.488 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001459590558 937492485 /nfs/dbraw/zinc/49/24/85/937492485.db2.gz XQYXEHPLEBZVMT-KURKYZTESA-N 1 3 290.426 3.488 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CCC(CC)CC2)C1 ZINC000098173264 931995822 /nfs/dbraw/zinc/99/58/22/931995822.db2.gz VMCPXNFUNHCMCJ-HWOWSKLDSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc(Br)cc1C[N@@H+](C)CCCN(C)C ZINC000313758637 932027602 /nfs/dbraw/zinc/02/76/02/932027602.db2.gz VPBLITCLSYRIFK-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO Cc1ccc(Br)cc1C[N@H+](C)CCCN(C)C ZINC000313758637 932027611 /nfs/dbraw/zinc/02/76/11/932027611.db2.gz VPBLITCLSYRIFK-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO CSC(C)(C)CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC001461920300 937605877 /nfs/dbraw/zinc/60/58/77/937605877.db2.gz KBKVBRZLJDVWSR-CQSZACIVSA-N 1 3 272.502 3.324 20 0 CGADHO CSC(C)(C)CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC001461920300 937605879 /nfs/dbraw/zinc/60/58/79/937605879.db2.gz KBKVBRZLJDVWSR-CQSZACIVSA-N 1 3 272.502 3.324 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001462199340 937624777 /nfs/dbraw/zinc/62/47/77/937624777.db2.gz HLQPZDPHFNENJV-BLLLJJGKSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001462199340 937624779 /nfs/dbraw/zinc/62/47/79/937624779.db2.gz HLQPZDPHFNENJV-BLLLJJGKSA-N 1 3 280.843 3.420 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@@H]2CCCC23CCOCC3)CC1 ZINC001307575611 932971543 /nfs/dbraw/zinc/97/15/43/932971543.db2.gz DRKUBPNECXYCNP-INIZCTEOSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc2ccccc2c1CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001307976951 933028346 /nfs/dbraw/zinc/02/83/46/933028346.db2.gz ZMNDCYDDASIIPQ-BWTSREIZSA-N 1 3 280.415 3.140 20 0 CGADHO C/C=C/C[C@@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC001307973536 933029090 /nfs/dbraw/zinc/02/90/90/933029090.db2.gz FIFHSUCYKUYSNQ-IEXSPKMKSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C/C[C@@H]1CCC[N@@H+](CCCN(CC)CC)C1 ZINC001307973536 933029091 /nfs/dbraw/zinc/02/90/91/933029091.db2.gz FIFHSUCYKUYSNQ-IEXSPKMKSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C/C[C@@H]1CCC[N@H+](CCCN(CC)CC)C1 ZINC001307973536 933029093 /nfs/dbraw/zinc/02/90/93/933029093.db2.gz FIFHSUCYKUYSNQ-IEXSPKMKSA-N 1 3 252.446 3.397 20 0 CGADHO Cc1ccccc1CCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001307977894 933029499 /nfs/dbraw/zinc/02/94/99/933029499.db2.gz HLJXUCFXKMLUQM-RTBURBONSA-N 1 3 286.463 3.201 20 0 CGADHO CC[C@@H]1C[C@@H](C[NH2+]CC[C@H](C)N2CCCCC2)CCO1 ZINC001308365820 933101884 /nfs/dbraw/zinc/10/18/84/933101884.db2.gz HQKDNSQZFCMISJ-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO [O-]c1cc(Cl)cc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC001308416714 933109160 /nfs/dbraw/zinc/10/91/60/933109160.db2.gz FAMJZHBBBBZLIZ-UHFFFAOYSA-N 1 3 296.842 3.401 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(F)F)cc3)[C@@H]2C1 ZINC001308555799 933131487 /nfs/dbraw/zinc/13/14/87/933131487.db2.gz YHKKBEDCIDMRMH-RRFJBIMHSA-N 1 3 280.362 3.054 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001308966029 933214191 /nfs/dbraw/zinc/21/41/91/933214191.db2.gz LDXFOMVEDCRSAG-PVAVHDDUSA-N 1 3 264.457 3.134 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294235 933854695 /nfs/dbraw/zinc/85/46/95/933854695.db2.gz PPKINIWNRAJTTA-BVGQSLNGSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4F)CC[C@@H]21 ZINC001319294235 933854697 /nfs/dbraw/zinc/85/46/97/933854697.db2.gz PPKINIWNRAJTTA-BVGQSLNGSA-N 1 3 288.410 3.229 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913421 933956396 /nfs/dbraw/zinc/95/63/96/933956396.db2.gz UWIOOGXCJRACAB-YOEHRIQHSA-N 1 3 293.430 3.239 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC001322634789 934322894 /nfs/dbraw/zinc/32/28/94/934322894.db2.gz ZAEJQECDKCSPJV-NVXWUHKLSA-N 1 3 288.435 3.222 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC001322632141 934323590 /nfs/dbraw/zinc/32/35/90/934323590.db2.gz DRMCMXJRXZMZHD-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO COc1cccc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])oc21 ZINC001327416378 935058164 /nfs/dbraw/zinc/05/81/64/935058164.db2.gz RNDRVOAFDBWGPE-DZGCQCFKSA-N 1 3 288.391 3.049 20 0 CGADHO C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC001329925717 935254901 /nfs/dbraw/zinc/25/49/01/935254901.db2.gz NJLINPLWDLTQKL-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC001329925717 935254905 /nfs/dbraw/zinc/25/49/05/935254905.db2.gz NJLINPLWDLTQKL-HOTGVXAUSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC001334111704 936085014 /nfs/dbraw/zinc/08/50/14/936085014.db2.gz XHJVOGDCJPNHCU-OAHLLOKOSA-N 1 3 250.430 3.195 20 0 CGADHO CCOc1cccc(C[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC001474107268 937840482 /nfs/dbraw/zinc/84/04/82/937840482.db2.gz ZIDWKTHVJXKHPH-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC001474320783 937851046 /nfs/dbraw/zinc/85/10/46/937851046.db2.gz QFLVZTNLPZYEJR-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1C ZINC001474320783 937851048 /nfs/dbraw/zinc/85/10/48/937851048.db2.gz QFLVZTNLPZYEJR-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037168 938154524 /nfs/dbraw/zinc/15/45/24/938154524.db2.gz POJIUYKXXFZAAT-CVEARBPZSA-N 1 3 290.407 3.122 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](N)[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037168 938154525 /nfs/dbraw/zinc/15/45/25/938154525.db2.gz POJIUYKXXFZAAT-CVEARBPZSA-N 1 3 290.407 3.122 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC001549548319 938157966 /nfs/dbraw/zinc/15/79/66/938157966.db2.gz VSSCMRAMPIZSRW-BRSBDYLESA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC001549548319 938157967 /nfs/dbraw/zinc/15/79/67/938157967.db2.gz VSSCMRAMPIZSRW-BRSBDYLESA-N 1 3 284.447 3.395 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)F)C2)C1 ZINC001549548709 938158051 /nfs/dbraw/zinc/15/80/51/938158051.db2.gz YJGJTRGKVHNPBW-MGPQQGTHSA-N 1 3 274.399 3.132 20 0 CGADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C(C)C ZINC001551238494 938178441 /nfs/dbraw/zinc/17/84/41/938178441.db2.gz WPWBWIBBFUCPRU-CGZBRXJRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3cccc(F)c3)C1)[NH2+]2 ZINC001553025309 938195982 /nfs/dbraw/zinc/19/59/82/938195982.db2.gz CARIBLFMEMZQFX-BLONPCRPSA-N 1 3 288.410 3.190 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3cccc(F)c3)C1)[NH2+]2 ZINC001553025321 938196057 /nfs/dbraw/zinc/19/60/57/938196057.db2.gz CARIBLFMEMZQFX-XPMGTNJCSA-N 1 3 288.410 3.190 20 0 CGADHO CCOc1ccc(C[NH2+]CCCN2CCCCC2)c(C)c1 ZINC001560252220 938249383 /nfs/dbraw/zinc/24/93/83/938249383.db2.gz PRSLUDGBYBLPCL-UHFFFAOYSA-N 1 3 290.451 3.359 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814148 938277652 /nfs/dbraw/zinc/27/76/52/938277652.db2.gz QNZJIWLBXDIUHQ-IUODEOHRSA-N 1 3 289.448 3.068 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814148 938277653 /nfs/dbraw/zinc/27/76/53/938277653.db2.gz QNZJIWLBXDIUHQ-IUODEOHRSA-N 1 3 289.448 3.068 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC001561055672 938292367 /nfs/dbraw/zinc/29/23/67/938292367.db2.gz TZIVJXWUPBYAEE-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC001577124808 960474545 /nfs/dbraw/zinc/47/45/45/960474545.db2.gz SFTWEWIATBILNZ-INIZCTEOSA-N 1 3 254.377 3.181 20 0 CGADHO CC(C)(C)[C@H]1CCCC[C@H]1C[NH2+]CC12CC(C1)CN2 ZINC001575120096 962351001 /nfs/dbraw/zinc/35/10/01/962351001.db2.gz QRTPEWWSOWTBFS-GWUWNPHMSA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)(C)[C@H]1CCCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC001575120096 962351019 /nfs/dbraw/zinc/35/10/19/962351019.db2.gz QRTPEWWSOWTBFS-GWUWNPHMSA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)[C@H](CN)C[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC001575423300 962373192 /nfs/dbraw/zinc/37/31/92/962373192.db2.gz RNNKERKLRRMMHY-LZWOXQAQSA-N 1 3 254.462 3.269 20 0 CGADHO CC(C)C[C@H]1CCCN(Cc2cc(C(C)(C)[NH3+])no2)C1 ZINC001575550017 962386282 /nfs/dbraw/zinc/38/62/82/962386282.db2.gz OFHHHLGGTUHMCI-CYBMUJFWSA-N 1 3 279.428 3.127 20 0 CGADHO C[C@H](CC1CCCCC1)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001575934675 962418513 /nfs/dbraw/zinc/41/85/13/962418513.db2.gz RZUZVHLSBJYAJF-PVAVHDDUSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@H]1C[C@@H](c2cccc(F)c2)N(CC(C)(C)C[NH3+])C1 ZINC001576622377 962473166 /nfs/dbraw/zinc/47/31/66/962473166.db2.gz CXQINPBDUJTMAU-WFASDCNBSA-N 1 3 264.388 3.194 20 0 CGADHO C[C@H]1CCCN(CCc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC001576708417 962482452 /nfs/dbraw/zinc/48/24/52/962482452.db2.gz DBCXOTZNQRXVHA-XJKSGUPXSA-N 1 3 280.843 3.332 20 0 CGADHO CC[C@@H](CSc1ccccc1)NC[C@@H]([NH3+])CC(F)F ZINC001577093850 962510188 /nfs/dbraw/zinc/51/01/88/962510188.db2.gz YZPPBUAILMOTOD-RYUDHWBXSA-N 1 3 288.407 3.129 20 0 CGADHO CCC(CC)(CN)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001577052404 962510985 /nfs/dbraw/zinc/51/09/85/962510985.db2.gz RYODAGKGVRVJEU-QGZVFWFLSA-N 1 3 274.452 3.289 20 0 CGADHO CCCC1CCC(C[NH2+][C@H]2CNCC2(C)C)CC1 ZINC001577374995 962531385 /nfs/dbraw/zinc/53/13/85/962531385.db2.gz MSNPNKNTKAQLNT-NRXISQOPSA-N 1 3 252.446 3.181 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)CNCC2 ZINC001577419689 962548147 /nfs/dbraw/zinc/54/81/47/962548147.db2.gz XRIOTKNVFCYXSE-OLZOCXBDSA-N 1 3 293.480 3.237 20 0 CGADHO CO[C@H](CN1[C@H](C[NH3+])CC[C@H](C)[C@@H]1C)C1CCCCC1 ZINC001578909075 962604656 /nfs/dbraw/zinc/60/46/56/962604656.db2.gz PLHUVJGEDABAIK-NXNVCVFFSA-N 1 3 282.472 3.029 20 0 CGADHO CO[C@@](C)(C[NH2+]C[C@H](N)CCC(C)(C)C)c1ccccc1 ZINC001578897873 962606519 /nfs/dbraw/zinc/60/65/19/962606519.db2.gz ZMOQGKGTBSCOQS-AEFFLSMTSA-N 1 3 292.467 3.291 20 0 CGADHO COc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150388 962611783 /nfs/dbraw/zinc/61/17/83/962611783.db2.gz JBFMBFOEBVJVAC-BBRMVZONSA-N 1 3 284.403 3.018 20 0 CGADHO Cc1cc(Cl)cc(C)c1CNCC[C@@H]([NH3+])C(C)C ZINC001579604847 962635761 /nfs/dbraw/zinc/63/57/61/962635761.db2.gz AFKDOMCITXGNTK-OAHLLOKOSA-N 1 3 268.832 3.420 20 0 CGADHO Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H](C)N)cc2)c1 ZINC001579576679 962637388 /nfs/dbraw/zinc/63/73/88/962637388.db2.gz HHGKUXOQROZBLY-HNNXBMFYSA-N 1 3 268.404 3.407 20 0 CGADHO Fc1ccccc1-c1ccc(CNCC2=CC[NH2+]CC2)o1 ZINC001580034348 962686378 /nfs/dbraw/zinc/68/63/78/962686378.db2.gz JHAOPDYLBYINOH-UHFFFAOYSA-N 1 3 286.350 3.095 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC001580895795 962745088 /nfs/dbraw/zinc/74/50/88/962745088.db2.gz SKPDFGLEOHWHDT-YSIASYRMSA-N 1 3 292.426 3.062 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000337463004 214097816 /nfs/dbraw/zinc/09/78/16/214097816.db2.gz KXHZAEPUBSIOJG-IKGGRYGDSA-N 1 3 282.472 3.046 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651686258 398269244 /nfs/dbraw/zinc/26/92/44/398269244.db2.gz VYMITGKQJZLFKE-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000651808429 398290800 /nfs/dbraw/zinc/29/08/00/398290800.db2.gz QRCQGEPDDQQFLW-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H]1CS[C@@H](C(C)C)C1 ZINC000651865633 398298750 /nfs/dbraw/zinc/29/87/50/398298750.db2.gz BFMGMMHWRXXZRA-LSDHHAIUSA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CS[C@@H](C(C)C)C1 ZINC000651865633 398298752 /nfs/dbraw/zinc/29/87/52/398298752.db2.gz BFMGMMHWRXXZRA-LSDHHAIUSA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000651865633 398298754 /nfs/dbraw/zinc/29/87/54/398298754.db2.gz BFMGMMHWRXXZRA-LSDHHAIUSA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H]1CS[C@@H](C(C)C)C1 ZINC000651865632 398299002 /nfs/dbraw/zinc/29/90/02/398299002.db2.gz BFMGMMHWRXXZRA-HUUCEWRRSA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H]1CS[C@@H](C(C)C)C1 ZINC000651865632 398299004 /nfs/dbraw/zinc/29/90/04/398299004.db2.gz BFMGMMHWRXXZRA-HUUCEWRRSA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000651865632 398299006 /nfs/dbraw/zinc/29/90/06/398299006.db2.gz BFMGMMHWRXXZRA-HUUCEWRRSA-N 1 3 272.502 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000337989300 214346518 /nfs/dbraw/zinc/34/65/18/214346518.db2.gz PWAWZZVFVGBJBH-JONQDZQNSA-N 1 3 270.436 3.367 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1NC1CC[NH+](C(C)C)CC1 ZINC000651911055 398305524 /nfs/dbraw/zinc/30/55/24/398305524.db2.gz ZYSGLFBLMFZMQB-ZWKOTPCHSA-N 1 3 272.436 3.313 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423478904 529453169 /nfs/dbraw/zinc/45/31/69/529453169.db2.gz UWDNXMFFAVSMKP-IINYFYTJSA-N 1 3 252.789 3.044 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425943896 529539736 /nfs/dbraw/zinc/53/97/36/529539736.db2.gz KTKCEZNFUTZLLA-RDJZCZTQSA-N 1 3 262.441 3.103 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423456123 529569411 /nfs/dbraw/zinc/56/94/11/529569411.db2.gz DFRGADVOEFVEBI-AEFFLSMTSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@H](NCCC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423572024 529595279 /nfs/dbraw/zinc/59/52/79/529595279.db2.gz YCZHXMPNBUGGQX-INIZCTEOSA-N 1 3 280.362 3.315 20 0 CGADHO CC[C@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423563193 529595315 /nfs/dbraw/zinc/59/53/15/529595315.db2.gz RCFLCBHHMXFUQE-INIZCTEOSA-N 1 3 280.362 3.315 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCC1 ZINC000449091339 529628501 /nfs/dbraw/zinc/62/85/01/529628501.db2.gz PXYKVMFOVJEBJK-SFHVURJKSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000423380764 529659542 /nfs/dbraw/zinc/65/95/42/529659542.db2.gz NXPNTHNBUSHWDN-LNSITVRQSA-N 1 3 298.377 3.469 20 0 CGADHO CCOc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623377090 349793583 /nfs/dbraw/zinc/79/35/83/349793583.db2.gz MKCAKFMYFWEDDD-HNNXBMFYSA-N 1 3 276.424 3.048 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccncc1 ZINC000358719120 529682063 /nfs/dbraw/zinc/68/20/63/529682063.db2.gz IZIBJZHXIFFJCQ-MRXNPFEDSA-N 1 3 275.440 3.385 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)CN1CCCCC1 ZINC000126702428 187256651 /nfs/dbraw/zinc/25/66/51/187256651.db2.gz VVQUXWSSWQPCGJ-HOTGVXAUSA-N 1 3 290.451 3.035 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432332 349807611 /nfs/dbraw/zinc/80/76/11/349807611.db2.gz NICWUMDXCMHQTB-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432332 349807615 /nfs/dbraw/zinc/80/76/15/349807615.db2.gz NICWUMDXCMHQTB-HOTGVXAUSA-N 1 3 290.451 3.225 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000423367792 529722512 /nfs/dbraw/zinc/72/25/12/529722512.db2.gz DRCUMKIDWZJAON-XKQJLSEDSA-N 1 3 260.425 3.430 20 0 CGADHO Cc1ccc(SCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000351493163 219104602 /nfs/dbraw/zinc/10/46/02/219104602.db2.gz MDYHIFNUQOCAGT-BHYGNILZSA-N 1 3 290.476 3.065 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657258 349858695 /nfs/dbraw/zinc/85/86/95/349858695.db2.gz MIEASSJFFVTZBM-DLBZAZTESA-N 1 3 274.452 3.248 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000623657529 349859938 /nfs/dbraw/zinc/85/99/38/349859938.db2.gz SVMKPQUIADQKIB-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H]1CC([NH2+]C[C@H]2CCCCN(C)C2)C[C@H](C)C1 ZINC000623657696 349860106 /nfs/dbraw/zinc/86/01/06/349860106.db2.gz WUOZKEGIFSTRNT-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000128073377 187349505 /nfs/dbraw/zinc/34/95/05/187349505.db2.gz GIKZXOMBMQNCIX-ZIAGYGMSSA-N 1 3 278.465 3.242 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000128073377 187349507 /nfs/dbraw/zinc/34/95/07/187349507.db2.gz GIKZXOMBMQNCIX-ZIAGYGMSSA-N 1 3 278.465 3.242 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000623656938 349857645 /nfs/dbraw/zinc/85/76/45/349857645.db2.gz GCJKPGNOZYTPKX-LEXSJLIMSA-N 1 3 276.399 3.160 20 0 CGADHO FC(F)(F)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000623787816 349884328 /nfs/dbraw/zinc/88/43/28/349884328.db2.gz AQHSXCUIRNYFEW-STQMWFEESA-N 1 3 290.373 3.326 20 0 CGADHO FC(F)(F)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000623787816 349884333 /nfs/dbraw/zinc/88/43/33/349884333.db2.gz AQHSXCUIRNYFEW-STQMWFEESA-N 1 3 290.373 3.326 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423294537 282307633 /nfs/dbraw/zinc/30/76/33/282307633.db2.gz UQZRGUVXICLYLH-ZDUSSCGKSA-N 1 3 264.413 3.172 20 0 CGADHO Cc1cccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000351565924 219127808 /nfs/dbraw/zinc/12/78/08/219127808.db2.gz ATWVONFSSDZGOZ-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1cccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000351565924 219127809 /nfs/dbraw/zinc/12/78/09/219127809.db2.gz ATWVONFSSDZGOZ-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423269560 529998847 /nfs/dbraw/zinc/99/88/47/529998847.db2.gz HFBFEDXGASZIOV-AVGNSLFASA-N 1 3 268.832 3.277 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423269560 529998849 /nfs/dbraw/zinc/99/88/49/529998849.db2.gz HFBFEDXGASZIOV-AVGNSLFASA-N 1 3 268.832 3.277 20 0 CGADHO CC[NH+]1CCC(CNCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000044517411 345011621 /nfs/dbraw/zinc/01/16/21/345011621.db2.gz PEEMMFLXYSFOPC-BBRMVZONSA-N 1 3 276.424 3.225 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2cccc(F)c2)CC1 ZINC000047973397 345058215 /nfs/dbraw/zinc/05/82/15/345058215.db2.gz FCOIVVPKTXPYGW-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000079987827 345660784 /nfs/dbraw/zinc/66/07/84/345660784.db2.gz FDHQRQKVQQUVGN-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO [NH3+]Cc1cccc(C2=CCN(Cc3ccccc3)CC2)c1 ZINC000113524944 345960921 /nfs/dbraw/zinc/96/09/21/345960921.db2.gz HLYLGGIAMXYWHO-UHFFFAOYSA-N 1 3 278.399 3.435 20 0 CGADHO Cc1cc(C(C)(C)C)cc(C)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107576506 345934628 /nfs/dbraw/zinc/93/46/28/345934628.db2.gz JDGGYZRKRNGNBQ-HOTGVXAUSA-N 1 3 286.463 3.252 20 0 CGADHO C[C@H](CNCc1ccnc2ccccc12)C[NH+]1CCCC1 ZINC000111763525 345951159 /nfs/dbraw/zinc/95/11/59/345951159.db2.gz FUIXYKXJQSTYOH-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000423268065 301418889 /nfs/dbraw/zinc/41/88/89/301418889.db2.gz DKVZYPDQLLGOSG-SGMGOOAPSA-N 1 3 252.427 3.225 20 0 CGADHO CC[C@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248374587 346375594 /nfs/dbraw/zinc/37/55/94/346375594.db2.gz RQSNDNGVOCDJAJ-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000128492190 187373818 /nfs/dbraw/zinc/37/38/18/187373818.db2.gz CBDMDOFZRYGWTL-HNNXBMFYSA-N 1 3 250.430 3.053 20 0 CGADHO CCSC1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000596653927 347499386 /nfs/dbraw/zinc/49/93/86/347499386.db2.gz XXNFAWJRRAUGBM-RBSFLKMASA-N 1 3 282.497 3.173 20 0 CGADHO CCSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000596653927 347499390 /nfs/dbraw/zinc/49/93/90/347499390.db2.gz XXNFAWJRRAUGBM-RBSFLKMASA-N 1 3 282.497 3.173 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(CCSc2ccc(Cl)cc2)C1 ZINC000351851277 219225912 /nfs/dbraw/zinc/22/59/12/219225912.db2.gz KZJVQYFHKLQJHX-NWDGAFQWSA-N 1 3 284.856 3.101 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862492 219229723 /nfs/dbraw/zinc/22/97/23/219229723.db2.gz POIYMZOYUQNEEG-GJZGRUSLSA-N 1 3 290.451 3.032 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624120058 349977030 /nfs/dbraw/zinc/97/70/30/349977030.db2.gz QOSUJYPHSOQHTB-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000351866792 219232344 /nfs/dbraw/zinc/23/23/44/219232344.db2.gz VSPSRBPAHJZLIN-KDOFPFPSSA-N 1 3 268.404 3.051 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120693 349978600 /nfs/dbraw/zinc/97/86/00/349978600.db2.gz FGRVLAKESUTITB-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120693 349978604 /nfs/dbraw/zinc/97/86/04/349978604.db2.gz FGRVLAKESUTITB-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120693 349978607 /nfs/dbraw/zinc/97/86/07/349978607.db2.gz FGRVLAKESUTITB-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccncc1 ZINC000624123497 349983305 /nfs/dbraw/zinc/98/33/05/349983305.db2.gz NFOLDXHNIJXARB-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339437091 215169352 /nfs/dbraw/zinc/16/93/52/215169352.db2.gz DIZGEVDSLQHLCI-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339437091 215169354 /nfs/dbraw/zinc/16/93/54/215169354.db2.gz DIZGEVDSLQHLCI-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO CCc1ncc(CNCCCCC[NH+]2CCCC2)s1 ZINC000339497442 215208852 /nfs/dbraw/zinc/20/88/52/215208852.db2.gz IAENBWVHHVUEBT-UHFFFAOYSA-N 1 3 281.469 3.061 20 0 CGADHO CO[C@H](C)[C@@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000358039295 233044349 /nfs/dbraw/zinc/04/43/49/233044349.db2.gz ACUKXXRVXXYGNG-HUUCEWRRSA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@H](C)[C@@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039295 233044351 /nfs/dbraw/zinc/04/43/51/233044351.db2.gz ACUKXXRVXXYGNG-HUUCEWRRSA-N 1 3 278.440 3.040 20 0 CGADHO CC(C)(CNc1ccnc2ccccc21)C[NH+]1CCCC1 ZINC000478042574 535078434 /nfs/dbraw/zinc/07/84/34/535078434.db2.gz ASEZVZBEIFBZBY-UHFFFAOYSA-N 1 3 283.419 3.191 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213161 191005104 /nfs/dbraw/zinc/00/51/04/191005104.db2.gz VLIBJZBBKRVTHU-DOTOQJQBSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC000271213161 191005106 /nfs/dbraw/zinc/00/51/06/191005106.db2.gz VLIBJZBBKRVTHU-DOTOQJQBSA-N 1 3 290.451 3.166 20 0 CGADHO CCO[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000625318629 350158339 /nfs/dbraw/zinc/15/83/39/350158339.db2.gz FTCKQPFTYQCALJ-QILLFSRXSA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000625318629 350158341 /nfs/dbraw/zinc/15/83/41/350158341.db2.gz FTCKQPFTYQCALJ-QILLFSRXSA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318629 350158346 /nfs/dbraw/zinc/15/83/46/350158346.db2.gz FTCKQPFTYQCALJ-QILLFSRXSA-N 1 3 294.483 3.044 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000359612440 233345240 /nfs/dbraw/zinc/34/52/40/233345240.db2.gz NXZVXWIWTBDDGI-UHFFFAOYSA-N 1 3 282.378 3.398 20 0 CGADHO C[C@]1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181439 350426369 /nfs/dbraw/zinc/42/63/69/350426369.db2.gz CKICFSGXQZWQQQ-HZPDHXFCSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@]1(C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)CCCS1 ZINC000628181439 350426373 /nfs/dbraw/zinc/42/63/73/350426373.db2.gz CKICFSGXQZWQQQ-HZPDHXFCSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@]1(C[N@H+]2CCC[C@@H](N3CCCC3)CC2)CCCS1 ZINC000628181439 350426376 /nfs/dbraw/zinc/42/63/76/350426376.db2.gz CKICFSGXQZWQQQ-HZPDHXFCSA-N 1 3 282.497 3.222 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000628183133 350427635 /nfs/dbraw/zinc/42/76/35/350427635.db2.gz RONCNSXGLCOIRE-KSSFIOAISA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000628183133 350427639 /nfs/dbraw/zinc/42/76/39/350427639.db2.gz RONCNSXGLCOIRE-KSSFIOAISA-N 1 3 285.435 3.330 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628208148 350440296 /nfs/dbraw/zinc/44/02/96/350440296.db2.gz AHWMMQHASVXHDI-SJORKVTESA-N 1 3 274.452 3.420 20 0 CGADHO Cc1ccncc1[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000271380804 191108392 /nfs/dbraw/zinc/10/83/92/191108392.db2.gz IGTINHSOUAFXSI-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO C[C@@H](NCCOCCC[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000629535421 350705262 /nfs/dbraw/zinc/70/52/62/350705262.db2.gz CLPPRCDHDFHMRE-LLVKDONJSA-N 1 3 296.798 3.102 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC12CCCC2)CN1CCCC1 ZINC000477936179 535151917 /nfs/dbraw/zinc/15/19/17/535151917.db2.gz LBHXSXATGSLTIC-OAHLLOKOSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542670 350708507 /nfs/dbraw/zinc/70/85/07/350708507.db2.gz INYQOLHNTMSZPV-SPUZQDLCSA-N 1 3 272.436 3.128 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000629391027 350687673 /nfs/dbraw/zinc/68/76/73/350687673.db2.gz RWGLJQRCASIHFF-ZGUYJTEBSA-N 1 3 272.436 3.443 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629407713 350689000 /nfs/dbraw/zinc/68/90/00/350689000.db2.gz IVNRFRNLJWDMQJ-USXIJHARSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000629406244 350689414 /nfs/dbraw/zinc/68/94/14/350689414.db2.gz LJCXTXRYYXYVTD-QMCVQRASSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+]Cc1cccc(-c2cc(CN(C)C)ccc2F)c1 ZINC000629736508 350758776 /nfs/dbraw/zinc/75/87/76/350758776.db2.gz ISKMSCUUCIAQPR-UHFFFAOYSA-N 1 3 272.367 3.274 20 0 CGADHO C[NH2+]Cc1ccc(-c2cccc(OCCN(C)C)c2)cc1C ZINC000629701169 350744351 /nfs/dbraw/zinc/74/43/51/350744351.db2.gz QWICRMHVWLXCMO-UHFFFAOYSA-N 1 3 298.430 3.322 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000291374549 198003904 /nfs/dbraw/zinc/00/39/04/198003904.db2.gz YYUFMFVENFXQOS-MSOLQXFVSA-N 1 3 270.420 3.089 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000291374549 198003906 /nfs/dbraw/zinc/00/39/06/198003906.db2.gz YYUFMFVENFXQOS-MSOLQXFVSA-N 1 3 270.420 3.089 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCOC(C)(C)C1 ZINC000634679450 351564687 /nfs/dbraw/zinc/56/46/87/351564687.db2.gz VQAQNEFMFCNNKA-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634679450 351564690 /nfs/dbraw/zinc/56/46/90/351564690.db2.gz VQAQNEFMFCNNKA-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)Cc1cccc2ncccc12 ZINC000634687736 351573515 /nfs/dbraw/zinc/57/35/15/351573515.db2.gz XRPAODXBHAJWCS-MRXNPFEDSA-N 1 3 271.408 3.040 20 0 CGADHO c1cnc2cccc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688264 351573756 /nfs/dbraw/zinc/57/37/56/351573756.db2.gz NILNWXBSGCZZMO-FUHWJXTLSA-N 1 3 295.430 3.199 20 0 CGADHO c1cnc2cccc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688266 351573961 /nfs/dbraw/zinc/57/39/61/351573961.db2.gz NILNWXBSGCZZMO-WMZOPIPTSA-N 1 3 295.430 3.199 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733726 351579771 /nfs/dbraw/zinc/57/97/71/351579771.db2.gz MCPZTCCFCQTOKR-HZPDHXFCSA-N 1 3 292.854 3.175 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733726 351579772 /nfs/dbraw/zinc/57/97/72/351579772.db2.gz MCPZTCCFCQTOKR-HZPDHXFCSA-N 1 3 292.854 3.175 20 0 CGADHO C[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCCC1 ZINC000635005471 351623353 /nfs/dbraw/zinc/62/33/53/351623353.db2.gz IYBCBDDGLZLZPT-WMLDXEAASA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635006279 351624629 /nfs/dbraw/zinc/62/46/29/351624629.db2.gz BNJYEICKHBHULF-ZDUSSCGKSA-N 1 3 258.409 3.001 20 0 CGADHO CC1(C)CC[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000635008613 351626177 /nfs/dbraw/zinc/62/61/77/351626177.db2.gz RVZVXPFRYDNCDR-HOTGVXAUSA-N 1 3 260.425 3.115 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000635007858 351626712 /nfs/dbraw/zinc/62/67/12/351626712.db2.gz XZQBNKGALTWSFT-SZVBFZGTSA-N 1 3 295.430 3.278 20 0 CGADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635009874 351628518 /nfs/dbraw/zinc/62/85/18/351628518.db2.gz IAIPECDOOZJIBD-MELADBBJSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635012563 351630661 /nfs/dbraw/zinc/63/06/61/351630661.db2.gz WGVQKSSJZZEDKD-VLIAUNLRSA-N 1 3 292.426 3.355 20 0 CGADHO Cn1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000123009533 187065676 /nfs/dbraw/zinc/06/56/76/187065676.db2.gz NYNOCPODBPENQS-UHFFFAOYSA-N 1 3 297.446 3.301 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271884009 191387501 /nfs/dbraw/zinc/38/75/01/191387501.db2.gz QHGGNYLJBOFJCP-HNNXBMFYSA-N 1 3 288.435 3.386 20 0 CGADHO C[C@H]1NCCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964224 235504096 /nfs/dbraw/zinc/50/40/96/235504096.db2.gz YLMLDXYWGGVHHS-CXAGYDPISA-N 1 3 254.377 3.070 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287719 138343915 /nfs/dbraw/zinc/34/39/15/138343915.db2.gz AYFNRPQKKFQDLL-CRAIPNDOSA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287719 138343917 /nfs/dbraw/zinc/34/39/17/138343917.db2.gz AYFNRPQKKFQDLL-CRAIPNDOSA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000091287719 138343918 /nfs/dbraw/zinc/34/39/18/138343918.db2.gz AYFNRPQKKFQDLL-CRAIPNDOSA-N 1 3 290.451 3.324 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488785 138345959 /nfs/dbraw/zinc/34/59/59/138345959.db2.gz VVXBZOIYDDZALW-OKZBNKHCSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000110978837 138363513 /nfs/dbraw/zinc/36/35/13/138363513.db2.gz KLSXPPHZMUYLFR-KRWDZBQOSA-N 1 3 276.399 3.098 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126268034 138385384 /nfs/dbraw/zinc/38/53/84/138385384.db2.gz HTVOUMUQNYGIRF-SNVBAGLBSA-N 1 3 286.341 3.096 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423021112 235957667 /nfs/dbraw/zinc/95/76/67/235957667.db2.gz BHGPFLIEIXCCMX-LSDHHAIUSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC1(F)CCC1 ZINC000423122598 235977300 /nfs/dbraw/zinc/97/73/00/235977300.db2.gz KEEBFVWNLFYPLW-KGLIPLIRSA-N 1 3 256.409 3.169 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000423133868 235979057 /nfs/dbraw/zinc/97/90/57/235979057.db2.gz LCOMCAWNCZNRJX-SWLSCSKDSA-N 1 3 282.378 3.276 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000423152454 235983263 /nfs/dbraw/zinc/98/32/63/235983263.db2.gz FCQCFPQUOLBWBU-FJIDUMEYSA-N 1 3 272.436 3.287 20 0 CGADHO Cc1cc(Br)cc2c1[C@H](NCC[C@H](C)[NH3+])CC2 ZINC000423223187 236000918 /nfs/dbraw/zinc/00/09/18/236000918.db2.gz FENLQTOXPUFIBZ-GXFFZTMASA-N 1 3 297.240 3.072 20 0 CGADHO Cc1cc(Br)cc2c1[C@@H](NCC[C@H](C)[NH3+])CC2 ZINC000423223186 236001046 /nfs/dbraw/zinc/00/10/46/236001046.db2.gz FENLQTOXPUFIBZ-GWCFXTLKSA-N 1 3 297.240 3.072 20 0 CGADHO Cc1cncc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423292573 236027009 /nfs/dbraw/zinc/02/70/09/236027009.db2.gz NIUIRMKMEOJTST-ZIAGYGMSSA-N 1 3 269.392 3.261 20 0 CGADHO COc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])c2ccccc12 ZINC000423297635 236029343 /nfs/dbraw/zinc/02/93/43/236029343.db2.gz LCNGJEIGHNKSKK-QWHCGFSZSA-N 1 3 272.392 3.094 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN)c2ccccc12 ZINC000423297635 236029345 /nfs/dbraw/zinc/02/93/45/236029345.db2.gz LCNGJEIGHNKSKK-QWHCGFSZSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000423327782 236039785 /nfs/dbraw/zinc/03/97/85/236039785.db2.gz DIDWHTFTDFCEHB-ZDUSSCGKSA-N 1 3 297.402 3.020 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423303239 236032508 /nfs/dbraw/zinc/03/25/08/236032508.db2.gz IOVLDFHRVYTZLS-UTUOFQBUSA-N 1 3 254.805 3.016 20 0 CGADHO c1cc(C[NH2+][C@@H](C2CC2)C2CCCC2)cc2c1CNC2 ZINC000423366184 236052023 /nfs/dbraw/zinc/05/20/23/236052023.db2.gz BQLQMNCELXSFBQ-GOSISDBHSA-N 1 3 270.420 3.348 20 0 CGADHO Cc1cc([C@H](N[C@H]2CCC[C@H]([NH3+])C2)C2CC2)ccc1F ZINC000423364581 236052096 /nfs/dbraw/zinc/05/20/96/236052096.db2.gz AWAGSHSTSFKNRR-YQQAZPJKSA-N 1 3 276.399 3.445 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423383448 236057185 /nfs/dbraw/zinc/05/71/85/236057185.db2.gz FFGNDDBUVSBWHK-HJSHSUPBSA-N 1 3 276.399 3.037 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423493515 236085982 /nfs/dbraw/zinc/08/59/82/236085982.db2.gz BQZJDZIDIGPSAW-QBIMZIAESA-N 1 3 299.393 3.027 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000423401211 236064546 /nfs/dbraw/zinc/06/45/46/236064546.db2.gz VWQANVRWPOSNCG-UHTWSYAYSA-N 1 3 264.438 3.157 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423436402 236070645 /nfs/dbraw/zinc/07/06/45/236070645.db2.gz LXOUGBLMNCPUEO-UHOFOFEASA-N 1 3 284.403 3.472 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000423460831 236075926 /nfs/dbraw/zinc/07/59/26/236075926.db2.gz BMWSKSDEKAXEDP-OGSMBTDCSA-N 1 3 290.426 3.153 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H](C)[C@H](C)[NH3+] ZINC000423460493 236076016 /nfs/dbraw/zinc/07/60/16/236076016.db2.gz IWPCHPYPODYPAS-BJDJZHNGSA-N 1 3 254.805 3.157 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC[C@@H]2C[C@H]2C2CCC2)c2ccccc21 ZINC000424387944 236158846 /nfs/dbraw/zinc/15/88/46/236158846.db2.gz YYWYICODOGMWGR-OSMBCOQSSA-N 1 3 256.393 3.157 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424332461 236151611 /nfs/dbraw/zinc/15/16/11/236151611.db2.gz WKMVWRQYADUFPE-ZSYWTGECSA-N 1 3 296.458 3.429 20 0 CGADHO C[C@H]1C[C@H]1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301535 291156020 /nfs/dbraw/zinc/15/60/20/291156020.db2.gz QRQUBEPDDAFXAR-ULQDDVLXSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@H]1C[C@H]1C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301535 291156022 /nfs/dbraw/zinc/15/60/22/291156022.db2.gz QRQUBEPDDAFXAR-ULQDDVLXSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@H]1C[C@H]1C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301535 291156024 /nfs/dbraw/zinc/15/60/24/291156024.db2.gz QRQUBEPDDAFXAR-ULQDDVLXSA-N 1 3 264.457 3.086 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2ccc(Cl)cc21 ZINC000423282113 283465074 /nfs/dbraw/zinc/46/50/74/283465074.db2.gz UXEXJIUAOSFXER-RCBQFDQVSA-N 1 3 278.827 3.434 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1csc(C)c1 ZINC000297603644 200239014 /nfs/dbraw/zinc/23/90/14/200239014.db2.gz ICLGNVFQAVLIKX-ZFWWWQNUSA-N 1 3 284.469 3.064 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN1)C1CCC(C(F)(F)F)CC1 ZINC000423240879 299308112 /nfs/dbraw/zinc/30/81/12/299308112.db2.gz UGCIJVFMUZRKQB-WTIISPKJSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(OC(F)F)c1 ZINC000179598736 189206442 /nfs/dbraw/zinc/20/64/42/189206442.db2.gz GCCXGUCJAJVSIK-JSGCOSHPSA-N 1 3 298.377 3.423 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-n2cccn2)cc1 ZINC000180855414 189280094 /nfs/dbraw/zinc/28/00/94/189280094.db2.gz KIOWFWMMDBCMSN-WBVHZDCISA-N 1 3 298.434 3.007 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OC)cc1 ZINC000181844410 189308361 /nfs/dbraw/zinc/30/83/61/189308361.db2.gz ZZRABSRIHXAALL-RDJZCZTQSA-N 1 3 276.424 3.220 20 0 CGADHO CCOCCC[N@@H+]1CC[C@H](NCC2=CCCCC2)[C@H](C)C1 ZINC000450750639 240068549 /nfs/dbraw/zinc/06/85/49/240068549.db2.gz BEYBZVSLFKZIFI-AEFFLSMTSA-N 1 3 294.483 3.213 20 0 CGADHO CCOCCC[N@H+]1CC[C@H](NCC2=CCCCC2)[C@H](C)C1 ZINC000450750639 240068554 /nfs/dbraw/zinc/06/85/54/240068554.db2.gz BEYBZVSLFKZIFI-AEFFLSMTSA-N 1 3 294.483 3.213 20 0 CGADHO Cc1nc2ccccc2c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000450829730 240104306 /nfs/dbraw/zinc/10/43/06/240104306.db2.gz QJTXPKDWQGXGKA-MQVJKMGUSA-N 1 3 295.430 3.311 20 0 CGADHO Cc1nc2ccccc2c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000450829730 240104312 /nfs/dbraw/zinc/10/43/12/240104312.db2.gz QJTXPKDWQGXGKA-MQVJKMGUSA-N 1 3 295.430 3.311 20 0 CGADHO Cc1ccc2nccc(NC3CC[NH+](C4CCC4)CC3)c2c1 ZINC000450872973 240129111 /nfs/dbraw/zinc/12/91/11/240129111.db2.gz DGQRMVXJEWZIDC-UHFFFAOYSA-N 1 3 295.430 3.394 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)C1(C)C ZINC000120703768 370792399 /nfs/dbraw/zinc/79/23/99/370792399.db2.gz OASBRQVSANIFIM-SJORKVTESA-N 1 3 290.451 3.041 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cc2c(s1)CCC2 ZINC000423285832 299369505 /nfs/dbraw/zinc/36/95/05/299369505.db2.gz YUVFVWOYNOUKAT-FPMFFAJLSA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1cc2c(s1)CCC2 ZINC000423285832 299369508 /nfs/dbraw/zinc/36/95/08/299369508.db2.gz YUVFVWOYNOUKAT-FPMFFAJLSA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(Br)c1 ZINC000424302576 299370535 /nfs/dbraw/zinc/37/05/35/299370535.db2.gz ZXQJXPIAOYSXRN-ZLKJLUDKSA-N 1 3 297.240 3.370 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1CC1(C)C ZINC000486938411 243382403 /nfs/dbraw/zinc/38/24/03/243382403.db2.gz PZJXKYIPVJSTFF-CJNGLKHVSA-N 1 3 260.425 3.272 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000037229251 369079030 /nfs/dbraw/zinc/07/90/30/369079030.db2.gz YHCDQXHZMYMRBH-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644147 369093687 /nfs/dbraw/zinc/09/36/87/369093687.db2.gz ZZANQGZMDPWTOW-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644147 369093690 /nfs/dbraw/zinc/09/36/90/369093690.db2.gz ZZANQGZMDPWTOW-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000037644147 369093692 /nfs/dbraw/zinc/09/36/92/369093692.db2.gz ZZANQGZMDPWTOW-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037649161 369094653 /nfs/dbraw/zinc/09/46/53/369094653.db2.gz TVKMVNGKZIYISZ-YOEHRIQHSA-N 1 3 258.409 3.212 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649161 369094661 /nfs/dbraw/zinc/09/46/61/369094661.db2.gz TVKMVNGKZIYISZ-YOEHRIQHSA-N 1 3 258.409 3.212 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644514 369095769 /nfs/dbraw/zinc/09/57/69/369095769.db2.gz IXLCQNZLBUFULZ-YJBOKZPZSA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644514 369095772 /nfs/dbraw/zinc/09/57/72/369095772.db2.gz IXLCQNZLBUFULZ-YJBOKZPZSA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccc(C)cc2)C2CC2)C1 ZINC000037644514 369095774 /nfs/dbraw/zinc/09/57/74/369095774.db2.gz IXLCQNZLBUFULZ-YJBOKZPZSA-N 1 3 272.436 3.378 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037649528 369097517 /nfs/dbraw/zinc/09/75/17/369097517.db2.gz YOULCIPDELZFLV-CHWSQXEVSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649528 369097521 /nfs/dbraw/zinc/09/75/21/369097521.db2.gz YOULCIPDELZFLV-CHWSQXEVSA-N 1 3 264.438 3.191 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C1(c2ccccc2)CCCC1 ZINC000423204788 296133260 /nfs/dbraw/zinc/13/32/60/296133260.db2.gz DVOVRUBUCACCKW-SJORKVTESA-N 1 3 286.463 3.476 20 0 CGADHO Cc1cccc(C[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000037997520 369135883 /nfs/dbraw/zinc/13/58/83/369135883.db2.gz FLFCODSQIVPAFB-INIZCTEOSA-N 1 3 260.425 3.207 20 0 CGADHO C[C@@H](N[C@@H](C)C1(c2ccccc2)CCCC1)[C@H](C)[NH3+] ZINC000423449752 296144549 /nfs/dbraw/zinc/14/45/49/296144549.db2.gz RZNKNGQEJZYRIH-ZNMIVQPWSA-N 1 3 260.425 3.212 20 0 CGADHO c1cc2c(s1)CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000061325115 369598607 /nfs/dbraw/zinc/59/86/07/369598607.db2.gz NMTQBAINKJHBPH-AWEZNQCLSA-N 1 3 264.438 3.201 20 0 CGADHO C[NH+](C)CCCCNCc1nc(-c2ccccc2)cs1 ZINC000061681008 369605645 /nfs/dbraw/zinc/60/56/45/369605645.db2.gz RCCZQMMRNYJIOO-UHFFFAOYSA-N 1 3 289.448 3.242 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000062077381 369617644 /nfs/dbraw/zinc/61/76/44/369617644.db2.gz FWCOUUUDCAVYAR-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H](CN[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000062077207 369618021 /nfs/dbraw/zinc/61/80/21/369618021.db2.gz YQVKGQFFLCWMHW-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)CN1CCCC1 ZINC000062077207 369618022 /nfs/dbraw/zinc/61/80/22/369618022.db2.gz YQVKGQFFLCWMHW-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[NH2+]CC1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000063158973 369642039 /nfs/dbraw/zinc/64/20/39/369642039.db2.gz YMPRIQYEYFWENM-LBPRGKRZSA-N 1 3 266.816 3.332 20 0 CGADHO COc1cccc([C@H](C)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063198231 369643309 /nfs/dbraw/zinc/64/33/09/369643309.db2.gz XEKAVCIEHIJHHY-KBXCAEBGSA-N 1 3 288.435 3.220 20 0 CGADHO Cc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1F ZINC000063197303 369643569 /nfs/dbraw/zinc/64/35/69/369643569.db2.gz YYEPTHJVDQCTCF-KRWDZBQOSA-N 1 3 276.399 3.098 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858095 369841136 /nfs/dbraw/zinc/84/11/36/369841136.db2.gz UZFYLCIANDFLGL-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000072858095 369841141 /nfs/dbraw/zinc/84/11/41/369841141.db2.gz UZFYLCIANDFLGL-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000070169352 369786322 /nfs/dbraw/zinc/78/63/22/369786322.db2.gz KKCDRRQNLIROGP-GFCCVEGCSA-N 1 3 297.240 3.010 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000086507838 370020800 /nfs/dbraw/zinc/02/08/00/370020800.db2.gz CXDAGLFDTUUQOD-STQMWFEESA-N 1 3 269.458 3.304 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Br)cc1 ZINC000089139748 370037910 /nfs/dbraw/zinc/03/79/10/370037910.db2.gz PEOBRIBKWYCHTA-TZMCWYRMSA-N 1 3 297.240 3.056 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCCC1 ZINC000113960184 370488675 /nfs/dbraw/zinc/48/86/75/370488675.db2.gz ZDWBAJJMRNJJBU-AWEZNQCLSA-N 1 3 260.425 3.417 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130314510 371024908 /nfs/dbraw/zinc/02/49/08/371024908.db2.gz KOOPWTRNBQCLQG-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130314510 371024910 /nfs/dbraw/zinc/02/49/10/371024910.db2.gz KOOPWTRNBQCLQG-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486288 371038534 /nfs/dbraw/zinc/03/85/34/371038534.db2.gz VRRUUUIJCFIFJS-BEFAXECRSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486288 371038535 /nfs/dbraw/zinc/03/85/35/371038535.db2.gz VRRUUUIJCFIFJS-BEFAXECRSA-N 1 3 297.446 3.397 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851760 376204136 /nfs/dbraw/zinc/20/41/36/376204136.db2.gz QKSPKGNXDJXCOB-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851760 376204139 /nfs/dbraw/zinc/20/41/39/376204139.db2.gz QKSPKGNXDJXCOB-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000151107281 371569900 /nfs/dbraw/zinc/56/99/00/371569900.db2.gz FKEXKGGTORUZRD-HOTGVXAUSA-N 1 3 252.446 3.443 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821851 371642628 /nfs/dbraw/zinc/64/26/28/371642628.db2.gz ULROTYRKTMLGKJ-CHWSQXEVSA-N 1 3 298.833 3.342 20 0 CGADHO CSc1ccccc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422626025 371755269 /nfs/dbraw/zinc/75/52/69/371755269.db2.gz DBLKXLNXKCUFPZ-GUTXKFCHSA-N 1 3 278.465 3.214 20 0 CGADHO COc1cccc([C@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422710332 371763485 /nfs/dbraw/zinc/76/34/85/371763485.db2.gz LREGFKHFSNIYMG-QWHCGFSZSA-N 1 3 299.418 3.269 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1cc(Cl)cc(Cl)c1 ZINC000422717014 371765039 /nfs/dbraw/zinc/76/50/39/371765039.db2.gz NYGXVVWCZDTKOM-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422717014 371765050 /nfs/dbraw/zinc/76/50/50/371765050.db2.gz NYGXVVWCZDTKOM-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000422737562 371777038 /nfs/dbraw/zinc/77/70/38/371777038.db2.gz ZUWIVUUZGJSJOO-QWHCGFSZSA-N 1 3 263.429 3.324 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000422737560 371777410 /nfs/dbraw/zinc/77/74/10/371777410.db2.gz ZUWIVUUZGJSJOO-CHWSQXEVSA-N 1 3 263.429 3.324 20 0 CGADHO Cc1cccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000422743164 371779194 /nfs/dbraw/zinc/77/91/94/371779194.db2.gz ICIVWTCHRQAYBW-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)c1C ZINC000422743164 371779203 /nfs/dbraw/zinc/77/92/03/371779203.db2.gz ICIVWTCHRQAYBW-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000422743160 371779305 /nfs/dbraw/zinc/77/93/05/371779305.db2.gz ICIVWTCHRQAYBW-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)c1C ZINC000422743160 371779316 /nfs/dbraw/zinc/77/93/16/371779316.db2.gz ICIVWTCHRQAYBW-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422757558 371786702 /nfs/dbraw/zinc/78/67/02/371786702.db2.gz JQLUVSZOXIATCI-CZUORRHYSA-N 1 3 296.455 3.286 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755045 371788057 /nfs/dbraw/zinc/78/80/57/371788057.db2.gz FGZFPFJPFZGSKX-KGLIPLIRSA-N 1 3 284.350 3.038 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000422799485 371815175 /nfs/dbraw/zinc/81/51/75/371815175.db2.gz WYJQQACACJGUSQ-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1ccc(Cl)cc1 ZINC000422797460 371816793 /nfs/dbraw/zinc/81/67/93/371816793.db2.gz MPHNVXYOGWEOGZ-XJKCOSOUSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422797460 371816799 /nfs/dbraw/zinc/81/67/99/371816799.db2.gz MPHNVXYOGWEOGZ-XJKCOSOUSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)c1ccc(F)cc1F ZINC000422801083 371818436 /nfs/dbraw/zinc/81/84/36/371818436.db2.gz DMKRZOCZFGRPBU-XHBSWPGZSA-N 1 3 282.378 3.046 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1ccc(F)cc1F ZINC000422801083 371818445 /nfs/dbraw/zinc/81/84/45/371818445.db2.gz DMKRZOCZFGRPBU-XHBSWPGZSA-N 1 3 282.378 3.046 20 0 CGADHO Cc1ccncc1CCC[NH2+]CC(C)(C)CN1CCCC1 ZINC000289777444 371818942 /nfs/dbraw/zinc/81/89/42/371818942.db2.gz RDZAKQILILYWLG-UHFFFAOYSA-N 1 3 289.467 3.034 20 0 CGADHO Cc1ccncc1CCCNCC(C)(C)C[NH+]1CCCC1 ZINC000289777444 371818951 /nfs/dbraw/zinc/81/89/51/371818951.db2.gz RDZAKQILILYWLG-UHFFFAOYSA-N 1 3 289.467 3.034 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@H]3CCCC[C@H]3CN)c[nH]c2c1 ZINC000422839890 371834812 /nfs/dbraw/zinc/83/48/12/371834812.db2.gz ANPADVRBVMARKW-YOEHRIQHSA-N 1 3 285.435 3.126 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000422807697 371823098 /nfs/dbraw/zinc/82/30/98/371823098.db2.gz PBXXUVKIBLWSNC-AXFHLTTASA-N 1 3 272.339 3.064 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000422945851 371885225 /nfs/dbraw/zinc/88/52/25/371885225.db2.gz VLZINGDZMMBNCM-JJTUDDRGSA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)Oc1cccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422883239 371854053 /nfs/dbraw/zinc/85/40/53/371854053.db2.gz QESCYIGWEUZWHB-IHRRRGAJSA-N 1 3 264.413 3.250 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422895968 371859707 /nfs/dbraw/zinc/85/97/07/371859707.db2.gz GYPIYEVPSAQTJN-DZGCQCFKSA-N 1 3 296.842 3.134 20 0 CGADHO CCCCOc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422895342 371859962 /nfs/dbraw/zinc/85/99/62/371859962.db2.gz FPVOFDPVQQUTTD-LSDHHAIUSA-N 1 3 278.440 3.123 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000422895342 371859966 /nfs/dbraw/zinc/85/99/66/371859966.db2.gz FPVOFDPVQQUTTD-LSDHHAIUSA-N 1 3 278.440 3.123 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc2ccccc2c1 ZINC000422938663 371881814 /nfs/dbraw/zinc/88/18/14/371881814.db2.gz DVNVRRZNLHVVCT-ZIAGYGMSSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000422938663 371881816 /nfs/dbraw/zinc/88/18/16/371881816.db2.gz DVNVRRZNLHVVCT-ZIAGYGMSSA-N 1 3 256.393 3.098 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000422846521 371838832 /nfs/dbraw/zinc/83/88/32/371838832.db2.gz PYOZQCMIKGYMKW-GLQYFDAESA-N 1 3 294.439 3.470 20 0 CGADHO C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422852780 371840444 /nfs/dbraw/zinc/84/04/44/371840444.db2.gz BHIYDJMXYMYCAT-XJKSGUPXSA-N 1 3 260.425 3.361 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCSc2c(F)cccc21 ZINC000422853304 371840627 /nfs/dbraw/zinc/84/06/27/371840627.db2.gz YXVSHJSIJDEJLQ-GDLCADMTSA-N 1 3 280.412 3.080 20 0 CGADHO CCC1(CC)[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C[C@@H]1OC ZINC000344098286 217049264 /nfs/dbraw/zinc/04/92/64/217049264.db2.gz JCLZAZZWNSLYLY-ZACQAIPSSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccccc1C(C)(C)C ZINC000422960473 371892345 /nfs/dbraw/zinc/89/23/45/371892345.db2.gz WNFITKPSHUYXQZ-KGLIPLIRSA-N 1 3 278.440 3.078 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422966563 371894278 /nfs/dbraw/zinc/89/42/78/371894278.db2.gz NTAWFCVXYFSHKW-ADXGEFSYSA-N 1 3 284.447 3.443 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422966565 371895775 /nfs/dbraw/zinc/89/57/75/371895775.db2.gz NTAWFCVXYFSHKW-FVVUREQNSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423064306 371942921 /nfs/dbraw/zinc/94/29/21/371942921.db2.gz QXBJMMQXIOXZMH-RYUDHWBXSA-N 1 3 293.842 3.090 20 0 CGADHO CCCOc1cccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422988561 371904561 /nfs/dbraw/zinc/90/45/61/371904561.db2.gz JGPDUSPFSAKWAC-QZTJIDSGSA-N 1 3 290.451 3.268 20 0 CGADHO CC[C@@H](CSc1ccc(C)c(C)c1)N[C@@H](C)C1C[NH2+]C1 ZINC000423005381 371912385 /nfs/dbraw/zinc/91/23/85/371912385.db2.gz RSEFLJRIJGUCNV-HOCLYGCPSA-N 1 3 292.492 3.372 20 0 CGADHO CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H](C)C1CNC1 ZINC000423005381 371912394 /nfs/dbraw/zinc/91/23/94/371912394.db2.gz RSEFLJRIJGUCNV-HOCLYGCPSA-N 1 3 292.492 3.372 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)c2ccccc21)C1CNC1 ZINC000423015853 371916683 /nfs/dbraw/zinc/91/66/83/371916683.db2.gz LLYAOKPSAPSBEI-ZIAGYGMSSA-N 1 3 272.436 3.039 20 0 CGADHO C[C@@H](NC[C@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000423015853 371916686 /nfs/dbraw/zinc/91/66/86/371916686.db2.gz LLYAOKPSAPSBEI-ZIAGYGMSSA-N 1 3 272.436 3.039 20 0 CGADHO CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423019311 371918586 /nfs/dbraw/zinc/91/85/86/371918586.db2.gz VBOJFIJDVLUXJM-TZMCWYRMSA-N 1 3 298.434 3.218 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCn1c2ccccc2c2ccccc21 ZINC000423035671 371926644 /nfs/dbraw/zinc/92/66/44/371926644.db2.gz SGNJVMFGEVMOFR-SJORKVTESA-N 1 3 293.414 3.264 20 0 CGADHO CS[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000423039005 371928384 /nfs/dbraw/zinc/92/83/84/371928384.db2.gz ZQZKEFXTXIWIOO-ABAIWWIYSA-N 1 3 295.496 3.277 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423045996 371931008 /nfs/dbraw/zinc/93/10/08/371931008.db2.gz DSGGUIWUWHSKLJ-HOTGVXAUSA-N 1 3 272.392 3.491 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092390 371958827 /nfs/dbraw/zinc/95/88/27/371958827.db2.gz BSRPOFWEYQHFAG-QSPRXWTASA-N 1 3 276.399 3.321 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092456 371959001 /nfs/dbraw/zinc/95/90/01/371959001.db2.gz BYRGYIYAKQPWMC-NDPMZMCLSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092456 371959006 /nfs/dbraw/zinc/95/90/06/371959006.db2.gz BYRGYIYAKQPWMC-NDPMZMCLSA-N 1 3 266.816 3.301 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423096212 371960520 /nfs/dbraw/zinc/96/05/20/371960520.db2.gz HHYQKJAJGWZFAU-LAQRGFTBSA-N 1 3 272.436 3.491 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096791 371961589 /nfs/dbraw/zinc/96/15/89/371961589.db2.gz PVNSSIMSDSHVHI-MGBSGCIJSA-N 1 3 276.399 3.321 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423100278 371963464 /nfs/dbraw/zinc/96/34/64/371963464.db2.gz UZZUGNFUZJJDHB-CYUUQNCZSA-N 1 3 264.800 3.055 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423103657 371968568 /nfs/dbraw/zinc/96/85/68/371968568.db2.gz XSRGQINQYSSUKC-YYQUZTFQSA-N 1 3 294.389 3.460 20 0 CGADHO Cc1cc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])ccc1Cl ZINC000423125626 371978232 /nfs/dbraw/zinc/97/82/32/371978232.db2.gz ANYKXPZCOJEIRA-JKSUJKDBSA-N 1 3 280.843 3.441 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1cc2ccccc2s1 ZINC000423126110 371978891 /nfs/dbraw/zinc/97/88/91/371978891.db2.gz ARFOAVNFRZSLCX-NWDGAFQWSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cc2ccccc2s1 ZINC000423126110 371978896 /nfs/dbraw/zinc/97/88/96/371978896.db2.gz ARFOAVNFRZSLCX-NWDGAFQWSA-N 1 3 262.422 3.159 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC1(C)C ZINC000423127578 371980489 /nfs/dbraw/zinc/98/04/89/371980489.db2.gz CCUWWRPUPCAQTO-OCCSQVGLSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423127359 371980753 /nfs/dbraw/zinc/98/07/53/371980753.db2.gz BWZADQIFTXQVIB-SGMGOOAPSA-N 1 3 288.357 3.438 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000423127359 371980759 /nfs/dbraw/zinc/98/07/59/371980759.db2.gz BWZADQIFTXQVIB-SGMGOOAPSA-N 1 3 288.357 3.438 20 0 CGADHO C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1 ZINC000423140087 371987229 /nfs/dbraw/zinc/98/72/29/371987229.db2.gz XCQNXQQMXFVDTP-MPBYHJMHSA-N 1 3 270.420 3.053 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2sc(Cl)cc21 ZINC000423137019 371987322 /nfs/dbraw/zinc/98/73/22/371987322.db2.gz VUKPIXQDQWHAQY-ZMLRMANQSA-N 1 3 284.856 3.496 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CSc2ccccc21 ZINC000423144296 371988512 /nfs/dbraw/zinc/98/85/12/371988512.db2.gz GQRCIRUOKRCOBG-NWANDNLSSA-N 1 3 276.449 3.126 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCNCC[C@@H]3C)CC2)c(C)c1 ZINC000423149553 371992894 /nfs/dbraw/zinc/99/28/94/371992894.db2.gz XTINBSZLVZGFPX-MAUKXSAKSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3CC[NH2+]CC[C@@H]3C)CC2)c(C)c1 ZINC000423149553 371992903 /nfs/dbraw/zinc/99/29/03/371992903.db2.gz XTINBSZLVZGFPX-MAUKXSAKSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1cccnc1CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423153985 371994004 /nfs/dbraw/zinc/99/40/04/371994004.db2.gz OLKHHGHNZKNPBB-IRXDYDNUSA-N 1 3 289.467 3.223 20 0 CGADHO COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCCC[C@@H]3CN)C2)c1 ZINC000423154046 371994061 /nfs/dbraw/zinc/99/40/61/371994061.db2.gz IOIUFFNBLHTGNX-KONPQCLYSA-N 1 3 288.435 3.048 20 0 CGADHO C[C@@H](N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423158270 371995541 /nfs/dbraw/zinc/99/55/41/371995541.db2.gz NTQDMUGHZRRWGL-XQHKEYJVSA-N 1 3 278.362 3.228 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCCN1 ZINC000423158270 371995547 /nfs/dbraw/zinc/99/55/47/371995547.db2.gz NTQDMUGHZRRWGL-XQHKEYJVSA-N 1 3 278.362 3.228 20 0 CGADHO COc1cc(F)cc(C[C@H](C)N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423163592 371997644 /nfs/dbraw/zinc/99/76/44/371997644.db2.gz MVWXMIRQUSSBAZ-ZLIFDBKOSA-N 1 3 294.414 3.015 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@H](C)C[C@H](C)N)Cc1ccccc1 ZINC000423076583 371949520 /nfs/dbraw/zinc/94/95/20/371949520.db2.gz ZIKLGIWJYHGHBR-ZMSDIMECSA-N 1 3 262.441 3.217 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000423081170 371952213 /nfs/dbraw/zinc/95/22/13/371952213.db2.gz UJKWGSYWEWNZTK-SJORKVTESA-N 1 3 258.409 3.314 20 0 CGADHO CC(C)[C@H]1C[C@@H](N[C@H](C)[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423085012 371954438 /nfs/dbraw/zinc/95/44/38/371954438.db2.gz JNFXCAYBCJLXDQ-LTCOOKNTSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)C1CNC1 ZINC000423194126 372019100 /nfs/dbraw/zinc/01/91/00/372019100.db2.gz WNGTXPFSCCABTB-DNUAJFIVSA-N 1 3 272.436 3.156 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423193764 372019107 /nfs/dbraw/zinc/01/91/07/372019107.db2.gz WFFGJZRPYKGVHB-WFASDCNBSA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423193764 372019114 /nfs/dbraw/zinc/01/91/14/372019114.db2.gz WFFGJZRPYKGVHB-WFASDCNBSA-N 1 3 294.389 3.104 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423196387 372020979 /nfs/dbraw/zinc/02/09/79/372020979.db2.gz VDCKMQIOHZWVKO-HIFRSBDPSA-N 1 3 266.816 3.305 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)s1 ZINC000290592124 372025198 /nfs/dbraw/zinc/02/51/98/372025198.db2.gz VIJKQVZJFXQIOA-HNNXBMFYSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)s1 ZINC000290592124 372025204 /nfs/dbraw/zinc/02/52/04/372025204.db2.gz VIJKQVZJFXQIOA-HNNXBMFYSA-N 1 3 278.465 3.220 20 0 CGADHO COc1ccc([C@H](C)NC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423205283 372028675 /nfs/dbraw/zinc/02/86/75/372028675.db2.gz FCVRHTJETSZMRP-GJZGRUSLSA-N 1 3 298.430 3.499 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCNC2)c2ccccc12 ZINC000423205283 372028684 /nfs/dbraw/zinc/02/86/84/372028684.db2.gz FCVRHTJETSZMRP-GJZGRUSLSA-N 1 3 298.430 3.499 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423211712 372031693 /nfs/dbraw/zinc/03/16/93/372031693.db2.gz LFWSNMGZZMORMF-PMPSAXMXSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000423228439 372041799 /nfs/dbraw/zinc/04/17/99/372041799.db2.gz ZQGLAWXLRXKWMT-MAUKXSAKSA-N 1 3 268.404 3.297 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423271303 372046494 /nfs/dbraw/zinc/04/64/94/372046494.db2.gz IWCJWRMZBMECGX-BMGDILEWSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)CCC2 ZINC000423271303 372046499 /nfs/dbraw/zinc/04/64/99/372046499.db2.gz IWCJWRMZBMECGX-BMGDILEWSA-N 1 3 288.435 3.180 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000423284592 372048376 /nfs/dbraw/zinc/04/83/76/372048376.db2.gz WZWQCDPCWVWEAV-GFOFROLCSA-N 1 3 258.409 3.342 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)c2ccccc21 ZINC000423284592 372048380 /nfs/dbraw/zinc/04/83/80/372048380.db2.gz WZWQCDPCWVWEAV-GFOFROLCSA-N 1 3 258.409 3.342 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](CC1CCC1)c1ccccc1 ZINC000423285283 372048492 /nfs/dbraw/zinc/04/84/92/372048492.db2.gz ZHSFUGYKVQSNGP-RHSMWYFYSA-N 1 3 260.425 3.363 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423386658 372058757 /nfs/dbraw/zinc/05/87/57/372058757.db2.gz MGILFFHBMXTCKQ-FHIRATQRSA-N 1 3 258.409 3.485 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CN)c2ccccc12 ZINC000423173596 372004745 /nfs/dbraw/zinc/00/47/45/372004745.db2.gz ZHJVQDXMRGGFJO-KDOFPFPSSA-N 1 3 268.404 3.365 20 0 CGADHO Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])c2ccccc12 ZINC000423173596 372004746 /nfs/dbraw/zinc/00/47/46/372004746.db2.gz ZHJVQDXMRGGFJO-KDOFPFPSSA-N 1 3 268.404 3.365 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423180536 372009404 /nfs/dbraw/zinc/00/94/04/372009404.db2.gz FDNYBJYBWSTVMC-JTQLQIEISA-N 1 3 292.370 3.340 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497864 372069800 /nfs/dbraw/zinc/06/98/00/372069800.db2.gz HMTIHFGBRJPUMI-DQYPLSBCSA-N 1 3 258.409 3.342 20 0 CGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccs1 ZINC000344292729 217136279 /nfs/dbraw/zinc/13/62/79/217136279.db2.gz GHIAGVVHSFAZRU-CYBMUJFWSA-N 1 3 250.411 3.051 20 0 CGADHO COc1cc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)ccc1SC ZINC000293318505 372353695 /nfs/dbraw/zinc/35/36/95/372353695.db2.gz FNAFIFJEVZGWGG-OLZOCXBDSA-N 1 3 296.480 3.265 20 0 CGADHO COC1(C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)CCC1 ZINC000429435622 372366116 /nfs/dbraw/zinc/36/61/16/372366116.db2.gz UNPZMNRMJRSUHX-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO CCCN(CCc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000431093900 372427745 /nfs/dbraw/zinc/42/77/45/372427745.db2.gz OJKAJTBQHFPDPN-UHFFFAOYSA-N 1 3 260.425 3.002 20 0 CGADHO CCCC[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000162856987 372428832 /nfs/dbraw/zinc/42/88/32/372428832.db2.gz SMOHHQODRKQEIR-OAGGEKHMSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2csc3ccccc23)C1 ZINC000163233820 372455745 /nfs/dbraw/zinc/45/57/45/372455745.db2.gz JTVWMZZQXRSGSX-VXGBXAGGSA-N 1 3 260.406 3.070 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163459415 372470803 /nfs/dbraw/zinc/47/08/03/372470803.db2.gz PLJLVXJMNZKTNV-AAEUAGOBSA-N 1 3 286.341 3.122 20 0 CGADHO Cc1sccc1CNCc1cccc(C[NH+](C)C)c1 ZINC000294079476 372575502 /nfs/dbraw/zinc/57/55/02/372575502.db2.gz LFOFJCMAEWZABI-UHFFFAOYSA-N 1 3 274.433 3.408 20 0 CGADHO CCN(Cc1ccc(SC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435389557 372758533 /nfs/dbraw/zinc/75/85/33/372758533.db2.gz LNPNGCMROKKGIR-HNNXBMFYSA-N 1 3 278.465 3.373 20 0 CGADHO CCN(Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435394856 372759036 /nfs/dbraw/zinc/75/90/36/372759036.db2.gz PGACKQHDSZPSMH-CQSZACIVSA-N 1 3 298.377 3.252 20 0 CGADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000353448689 220087444 /nfs/dbraw/zinc/08/74/44/220087444.db2.gz OEZGJFBKSUZITL-LMWSTFAQSA-N 1 3 282.378 3.488 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000333255465 205159384 /nfs/dbraw/zinc/15/93/84/205159384.db2.gz HUTGFPWCEYMUIO-CYZMBNFOSA-N 1 3 275.421 3.217 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353503362 220123407 /nfs/dbraw/zinc/12/34/07/220123407.db2.gz ORYDMYPUERHCNI-NEWSRXKRSA-N 1 3 295.430 3.197 20 0 CGADHO COc1ccc(C2([NH2+]CCCN3CCCCC3)CC2)cc1 ZINC000444607893 373212665 /nfs/dbraw/zinc/21/26/65/373212665.db2.gz JTOBWCZKPFQTJY-UHFFFAOYSA-N 1 3 288.435 3.150 20 0 CGADHO CC(C)(C)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173877703 373206389 /nfs/dbraw/zinc/20/63/89/373206389.db2.gz UIHXZZSOHQPNBK-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)(C)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173877703 373206398 /nfs/dbraw/zinc/20/63/98/373206398.db2.gz UIHXZZSOHQPNBK-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CCc1ccc2nccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000450357186 374078729 /nfs/dbraw/zinc/07/87/29/374078729.db2.gz YXAJNKPPFKVZLT-INIZCTEOSA-N 1 3 293.414 3.248 20 0 CGADHO CCc1cc(N2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000450265215 374028948 /nfs/dbraw/zinc/02/89/48/374028948.db2.gz XAHCESUZQPBADC-UHFFFAOYSA-N 1 3 273.424 3.099 20 0 CGADHO C1=C(CCN2CC[C@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000450430931 374123713 /nfs/dbraw/zinc/12/37/13/374123713.db2.gz WMMVNQBTWFNMBP-QGZVFWFLSA-N 1 3 262.441 3.295 20 0 CGADHO C1=C(CC[N@@H+]2CC[C@H](CN3CCCC3)C2)CCCC1 ZINC000450430931 374123719 /nfs/dbraw/zinc/12/37/19/374123719.db2.gz WMMVNQBTWFNMBP-QGZVFWFLSA-N 1 3 262.441 3.295 20 0 CGADHO C1=C(CC[N@H+]2CC[C@H](CN3CCCC3)C2)CCCC1 ZINC000450430931 374123725 /nfs/dbraw/zinc/12/37/25/374123725.db2.gz WMMVNQBTWFNMBP-QGZVFWFLSA-N 1 3 262.441 3.295 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000181846698 374181068 /nfs/dbraw/zinc/18/10/68/374181068.db2.gz KLQHBTSBRGGRDZ-ZACQAIPSSA-N 1 3 296.499 3.289 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043402 374208740 /nfs/dbraw/zinc/20/87/40/374208740.db2.gz OIRRCODOLCBIPR-WMZOPIPTSA-N 1 3 274.452 3.139 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043402 374208751 /nfs/dbraw/zinc/20/87/51/374208751.db2.gz OIRRCODOLCBIPR-WMZOPIPTSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 ZINC000182043402 374208756 /nfs/dbraw/zinc/20/87/56/374208756.db2.gz OIRRCODOLCBIPR-WMZOPIPTSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 ZINC000182043402 374208763 /nfs/dbraw/zinc/20/87/63/374208763.db2.gz OIRRCODOLCBIPR-WMZOPIPTSA-N 1 3 274.452 3.139 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(F)c(Cl)c1 ZINC000310916531 374229701 /nfs/dbraw/zinc/22/97/01/374229701.db2.gz ZFXBLSOWQRVTLF-WDEREUQCSA-N 1 3 272.795 3.327 20 0 CGADHO C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@]1(C)CN ZINC000312294989 374275673 /nfs/dbraw/zinc/27/56/73/374275673.db2.gz MPCIQRSLKRYPMS-RDTXWAMCSA-N 1 3 268.404 3.257 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@]1(C)CN ZINC000312294989 374275674 /nfs/dbraw/zinc/27/56/74/374275674.db2.gz MPCIQRSLKRYPMS-RDTXWAMCSA-N 1 3 268.404 3.257 20 0 CGADHO CC[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000090887330 541965286 /nfs/dbraw/zinc/96/52/86/541965286.db2.gz HRJUUVFXQNDZRN-IAQYHMDHSA-N 1 3 279.428 3.062 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H](C)CC[NH+](C)C ZINC000474048423 375074360 /nfs/dbraw/zinc/07/43/60/375074360.db2.gz SBHUSOPQYJTVHY-DYVFJYSZSA-N 1 3 290.451 3.347 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000131670752 296226797 /nfs/dbraw/zinc/22/67/97/296226797.db2.gz UHXRLOGLVKCSQJ-WOPDTQHZSA-N 1 3 286.341 3.436 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cccc3[nH]ccc32)CC1 ZINC000335370483 375267558 /nfs/dbraw/zinc/26/75/58/375267558.db2.gz KFWWKRLODWOFLL-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cccc3[nH]ccc32)CC1 ZINC000335370483 375267568 /nfs/dbraw/zinc/26/75/68/375267568.db2.gz KFWWKRLODWOFLL-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO c1ccc2c(c1)sc1c2CCC[C@H]1NCC1C[NH2+]C1 ZINC000335553627 375329546 /nfs/dbraw/zinc/32/95/46/375329546.db2.gz ZTJISKQQBRFYGY-CQSZACIVSA-N 1 3 272.417 3.088 20 0 CGADHO c1ccc2c(c1)sc1c2CCC[C@H]1[NH2+]CC1CNC1 ZINC000335553627 375329551 /nfs/dbraw/zinc/32/95/51/375329551.db2.gz ZTJISKQQBRFYGY-CQSZACIVSA-N 1 3 272.417 3.088 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000335842055 375476318 /nfs/dbraw/zinc/47/63/18/375476318.db2.gz RWZCOSWAAKDKPZ-WCQYABFASA-N 1 3 260.406 3.070 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]1C ZINC000495079624 375496775 /nfs/dbraw/zinc/49/67/75/375496775.db2.gz OMCIGFMWQQCJMP-WWGRRREGSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CC=CC2)CC1 ZINC000122112664 542022946 /nfs/dbraw/zinc/02/29/46/542022946.db2.gz OJKOWFSIFMSARL-RHSMWYFYSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CC=CC2)CC1 ZINC000122112664 542022950 /nfs/dbraw/zinc/02/29/50/542022950.db2.gz OJKOWFSIFMSARL-RHSMWYFYSA-N 1 3 262.441 3.338 20 0 CGADHO C[N@H+]1CC=C(CN[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000336145080 375723949 /nfs/dbraw/zinc/72/39/49/375723949.db2.gz POTJDGICMGESFT-OAHLLOKOSA-N 1 3 292.423 3.214 20 0 CGADHO C[N@@H+]1CC=C(CN[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000336145080 375723954 /nfs/dbraw/zinc/72/39/54/375723954.db2.gz POTJDGICMGESFT-OAHLLOKOSA-N 1 3 292.423 3.214 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CCCN1CCCC[C@H]1C ZINC000128552541 542052462 /nfs/dbraw/zinc/05/24/62/542052462.db2.gz TYUQTRBLMKFQPB-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000192922794 375803725 /nfs/dbraw/zinc/80/37/25/375803725.db2.gz PTOFNQWAPOAKSM-SJLPKXTDSA-N 1 3 295.430 3.254 20 0 CGADHO CC(C)CN(C)Cc1cncc(C[N@H+](C)CC(C)C)c1 ZINC000515036677 375809885 /nfs/dbraw/zinc/80/98/85/375809885.db2.gz UKARZVJMIQZABG-UHFFFAOYSA-N 1 3 277.456 3.257 20 0 CGADHO CC(C)CN(C)Cc1cncc(C[N@@H+](C)CC(C)C)c1 ZINC000515036677 375809888 /nfs/dbraw/zinc/80/98/88/375809888.db2.gz UKARZVJMIQZABG-UHFFFAOYSA-N 1 3 277.456 3.257 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000336658533 375897243 /nfs/dbraw/zinc/89/72/43/375897243.db2.gz IWRJWPJUOYERAL-BDAKNGLRSA-N 1 3 261.196 3.239 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000336604409 375866537 /nfs/dbraw/zinc/86/65/37/375866537.db2.gz YHHAUAFUQPUNMP-GFCCVEGCSA-N 1 3 280.362 3.101 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21)CN(C)C ZINC000336819231 375973859 /nfs/dbraw/zinc/97/38/59/375973859.db2.gz YZLRNNMBVQIJPZ-CKEIUWERSA-N 1 3 260.425 3.412 20 0 CGADHO C[C@H](CN[C@@H]1CC[C@@H](C)c2ccccc21)C[NH+](C)C ZINC000336819231 375973863 /nfs/dbraw/zinc/97/38/63/375973863.db2.gz YZLRNNMBVQIJPZ-CKEIUWERSA-N 1 3 260.425 3.412 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193911031 375937620 /nfs/dbraw/zinc/93/76/20/375937620.db2.gz QXMCYVRXPYSPEY-DLBZAZTESA-N 1 3 292.492 3.382 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@H](NCCSCc2ccccc2)C1 ZINC000193911031 375937629 /nfs/dbraw/zinc/93/76/29/375937629.db2.gz QXMCYVRXPYSPEY-DLBZAZTESA-N 1 3 292.492 3.382 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337375593 376215382 /nfs/dbraw/zinc/21/53/82/376215382.db2.gz ADUFQTPDTOEGLM-OWCLPIDISA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]([NH2+]CCCN(C)C(C)C)c1ccc(OC)cc1 ZINC000221916073 376223183 /nfs/dbraw/zinc/22/31/83/376223183.db2.gz IKQVSWNBJRLBTM-KRWDZBQOSA-N 1 3 278.440 3.466 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000538304445 376231663 /nfs/dbraw/zinc/23/16/63/376231663.db2.gz HSKTUQVKQCPMHN-JKSUJKDBSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[C@H](C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000538304445 376231669 /nfs/dbraw/zinc/23/16/69/376231669.db2.gz HSKTUQVKQCPMHN-JKSUJKDBSA-N 1 3 252.446 3.230 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000222945627 376244317 /nfs/dbraw/zinc/24/43/17/376244317.db2.gz OUSZNDWANSQECB-YCPHGPKFSA-N 1 3 262.397 3.006 20 0 CGADHO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000227678070 376404402 /nfs/dbraw/zinc/40/44/02/376404402.db2.gz HFZMILUYKYWITK-UONOGXRCSA-N 1 3 269.392 3.473 20 0 CGADHO CN(Cc1cccc2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC000226435425 376359597 /nfs/dbraw/zinc/35/95/97/376359597.db2.gz XZDRBVCOSQTLJF-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@@H+](Cc1cccc2ccccc21)C[C@@H]1CCCNC1 ZINC000226435425 376359599 /nfs/dbraw/zinc/35/95/99/376359599.db2.gz XZDRBVCOSQTLJF-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@H+](Cc1cccc2ccccc21)C[C@@H]1CCCNC1 ZINC000226435425 376359601 /nfs/dbraw/zinc/35/96/01/376359601.db2.gz XZDRBVCOSQTLJF-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)C1(C)C ZINC000540607971 376385922 /nfs/dbraw/zinc/38/59/22/376385922.db2.gz PQZZFVXUCZZASM-YESZJQIVSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1(C)C ZINC000540607971 376385929 /nfs/dbraw/zinc/38/59/29/376385929.db2.gz PQZZFVXUCZZASM-YESZJQIVSA-N 1 3 296.499 3.148 20 0 CGADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1(C)C ZINC000540607971 376385936 /nfs/dbraw/zinc/38/59/36/376385936.db2.gz PQZZFVXUCZZASM-YESZJQIVSA-N 1 3 296.499 3.148 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000227255673 376386776 /nfs/dbraw/zinc/38/67/76/376386776.db2.gz KMUKXEQTEBDDOE-FPCVCCKLSA-N 1 3 252.446 3.179 20 0 CGADHO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c2ccccc12 ZINC000227581544 376399367 /nfs/dbraw/zinc/39/93/67/376399367.db2.gz QBXFPKHERLDTBX-SUMWQHHRSA-N 1 3 284.403 3.018 20 0 CGADHO CC(C)C1CC([NH2+]CCCN2CCC(C)CC2)C1 ZINC000232822391 376590758 /nfs/dbraw/zinc/59/07/58/376590758.db2.gz AGGUVJKRFAFXTH-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO CSCCCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000235172881 376633717 /nfs/dbraw/zinc/63/37/17/376633717.db2.gz ZYNKXBOJCFQLPK-HUUCEWRRSA-N 1 3 264.438 3.254 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000543404020 376637088 /nfs/dbraw/zinc/63/70/88/376637088.db2.gz YDJYCWRNHSEXFI-AQEOSJORSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000235878463 376652757 /nfs/dbraw/zinc/65/27/57/376652757.db2.gz YEYABCMLYMTECP-CYBMUJFWSA-N 1 3 266.816 3.209 20 0 CGADHO C[C@@H](NCc1cc(-c2ccccc2)on1)C1CC[NH+](C)CC1 ZINC000154856583 542120520 /nfs/dbraw/zinc/12/05/20/542120520.db2.gz RKNWHZSYWILTFY-CQSZACIVSA-N 1 3 299.418 3.162 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000245471738 376827251 /nfs/dbraw/zinc/82/72/51/376827251.db2.gz YBTCOUPMYHLYDJ-IXDOHACOSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000556925551 376906019 /nfs/dbraw/zinc/90/60/19/376906019.db2.gz UWQKTUNOEWLWJO-NJAFHUGGSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000556925551 376906023 /nfs/dbraw/zinc/90/60/23/376906023.db2.gz UWQKTUNOEWLWJO-NJAFHUGGSA-N 1 3 290.451 3.227 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000557084982 376921872 /nfs/dbraw/zinc/92/18/72/376921872.db2.gz UFYZOMZNLTWGPN-ZOBUZTSGSA-N 1 3 264.457 3.370 20 0 CGADHO CC(C)C[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000557084982 376921875 /nfs/dbraw/zinc/92/18/75/376921875.db2.gz UFYZOMZNLTWGPN-ZOBUZTSGSA-N 1 3 264.457 3.370 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1F ZINC000246873014 377109435 /nfs/dbraw/zinc/10/94/35/377109435.db2.gz DBPAPNUZBTXZBM-RRFJBIMHSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1F ZINC000246873014 377109439 /nfs/dbraw/zinc/10/94/39/377109439.db2.gz DBPAPNUZBTXZBM-RRFJBIMHSA-N 1 3 294.414 3.055 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804420 377101137 /nfs/dbraw/zinc/10/11/37/377101137.db2.gz MMWGZYXSPCWOIW-SJORKVTESA-N 1 3 290.451 3.227 20 0 CGADHO C[N@H+]1CC[C@@H](NCCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804420 377101140 /nfs/dbraw/zinc/10/11/40/377101140.db2.gz MMWGZYXSPCWOIW-SJORKVTESA-N 1 3 290.451 3.227 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000560244704 377132362 /nfs/dbraw/zinc/13/23/62/377132362.db2.gz DJQNPMUWKVZXRS-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000247207638 377177774 /nfs/dbraw/zinc/17/77/74/377177774.db2.gz WSVWWARSUADMEW-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000248029129 377257854 /nfs/dbraw/zinc/25/78/54/377257854.db2.gz PZTXMZXJIWLLOJ-BFYDXBDKSA-N 1 3 292.492 3.405 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248029129 377257860 /nfs/dbraw/zinc/25/78/60/377257860.db2.gz PZTXMZXJIWLLOJ-BFYDXBDKSA-N 1 3 292.492 3.405 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000248487814 377329830 /nfs/dbraw/zinc/32/98/30/377329830.db2.gz MBGYFBRIBQTETA-OWCLPIDISA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000248487814 377329835 /nfs/dbraw/zinc/32/98/35/377329835.db2.gz MBGYFBRIBQTETA-OWCLPIDISA-N 1 3 252.446 3.086 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367406 377294787 /nfs/dbraw/zinc/29/47/87/377294787.db2.gz UAKWVYMINKGFBZ-DYVFJYSZSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC000248367406 377294790 /nfs/dbraw/zinc/29/47/90/377294790.db2.gz UAKWVYMINKGFBZ-DYVFJYSZSA-N 1 3 276.399 3.087 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1(C)C ZINC000248882802 377420597 /nfs/dbraw/zinc/42/05/97/377420597.db2.gz RUVYYEIOXUDINA-YESZJQIVSA-N 1 3 296.499 3.289 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000249000438 377442065 /nfs/dbraw/zinc/44/20/65/377442065.db2.gz QISICTNTXINVKP-YOEHRIQHSA-N 1 3 275.440 3.081 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000249000438 377442077 /nfs/dbraw/zinc/44/20/77/377442077.db2.gz QISICTNTXINVKP-YOEHRIQHSA-N 1 3 275.440 3.081 20 0 CGADHO CCc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249416175 377501852 /nfs/dbraw/zinc/50/18/52/377501852.db2.gz ZGAGXDUJQZFSBO-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249416175 377501858 /nfs/dbraw/zinc/50/18/58/377501858.db2.gz ZGAGXDUJQZFSBO-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249416175 377501868 /nfs/dbraw/zinc/50/18/68/377501868.db2.gz ZGAGXDUJQZFSBO-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249416175 377501876 /nfs/dbraw/zinc/50/18/76/377501876.db2.gz ZGAGXDUJQZFSBO-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO NC[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CCCCC1 ZINC000563422152 377461692 /nfs/dbraw/zinc/46/16/92/377461692.db2.gz YAIHUZUZTYPUDB-HNNXBMFYSA-N 1 3 293.480 3.408 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000563443559 377468444 /nfs/dbraw/zinc/46/84/44/377468444.db2.gz URRJPVVGXBKFDO-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO CCOCCC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCC1 ZINC000166846996 542174437 /nfs/dbraw/zinc/17/44/37/542174437.db2.gz XWNTXYBIFSTMOD-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000422907217 249127236 /nfs/dbraw/zinc/12/72/36/249127236.db2.gz LBJKQBYBOMJFDH-XJKSGUPXSA-N 1 3 295.430 3.229 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250076350 377548911 /nfs/dbraw/zinc/54/89/11/377548911.db2.gz OQFDEPQEOYNRNF-CABCVRRESA-N 1 3 284.513 3.228 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428045533 249131248 /nfs/dbraw/zinc/13/12/48/249131248.db2.gz QIHOLACNYMEFBI-QUCCMNQESA-N 1 3 294.442 3.456 20 0 CGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CCCC1 ZINC000251473643 377582545 /nfs/dbraw/zinc/58/25/45/377582545.db2.gz WBSSPXSHBCTTQT-BZUAXINKSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)s1 ZINC000516348352 249231715 /nfs/dbraw/zinc/23/17/15/249231715.db2.gz TXIORSDWZFHONF-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)s1 ZINC000516348352 249231717 /nfs/dbraw/zinc/23/17/17/249231717.db2.gz TXIORSDWZFHONF-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c(C)s1 ZINC000516348352 249231719 /nfs/dbraw/zinc/23/17/19/249231719.db2.gz TXIORSDWZFHONF-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c(C)s1 ZINC000516348352 249231721 /nfs/dbraw/zinc/23/17/21/249231721.db2.gz TXIORSDWZFHONF-GOEBONIOSA-N 1 3 278.465 3.281 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950955 377597381 /nfs/dbraw/zinc/59/73/81/377597381.db2.gz FBNLXNURXGCIIP-RTBURBONSA-N 1 3 295.430 3.498 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950952 377598004 /nfs/dbraw/zinc/59/80/04/377598004.db2.gz FBNLXNURXGCIIP-MOPGFXCFSA-N 1 3 295.430 3.498 20 0 CGADHO CC[C@H]1Cc2ccccc2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000342353707 377643464 /nfs/dbraw/zinc/64/34/64/377643464.db2.gz DZCVCIXIEVWOCL-ROUUACIJSA-N 1 3 272.436 3.308 20 0 CGADHO CC[C@H]1Cc2ccccc2CN1CC[C@@H]1CCC[N@H+]1C ZINC000342353707 377643474 /nfs/dbraw/zinc/64/34/74/377643474.db2.gz DZCVCIXIEVWOCL-ROUUACIJSA-N 1 3 272.436 3.308 20 0 CGADHO Cc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1C ZINC000574678776 377695085 /nfs/dbraw/zinc/69/50/85/377695085.db2.gz XEZCVHNQBAOAEQ-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1C ZINC000574678776 377695089 /nfs/dbraw/zinc/69/50/89/377695089.db2.gz XEZCVHNQBAOAEQ-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@@H](CC[N@@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000574812433 377713028 /nfs/dbraw/zinc/71/30/28/377713028.db2.gz DIALULPUDPJBOD-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@@H](CC[N@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000574812433 377713031 /nfs/dbraw/zinc/71/30/31/377713031.db2.gz DIALULPUDPJBOD-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@@H](CCN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812433 377713039 /nfs/dbraw/zinc/71/30/39/377713039.db2.gz DIALULPUDPJBOD-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO CC(C)c1ccc(CCN[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000259225262 377804227 /nfs/dbraw/zinc/80/42/27/377804227.db2.gz XVFOZOJZYLPRNW-IAGOWNOFSA-N 1 3 260.425 3.212 20 0 CGADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1cc(Cl)ccc1F ZINC000260134293 377806178 /nfs/dbraw/zinc/80/61/78/377806178.db2.gz QCPLRMWSPBJOTL-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@]1(C[NH3+])CCN(Cc2ccc3ccccc3c2)C1 ZINC000261582957 377822805 /nfs/dbraw/zinc/82/28/05/377822805.db2.gz GZKQMDTWCNJHLL-QGZVFWFLSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@]1(CN)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000261582957 377822810 /nfs/dbraw/zinc/82/28/10/377822810.db2.gz GZKQMDTWCNJHLL-QGZVFWFLSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@]1(CN)CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000261582957 377822815 /nfs/dbraw/zinc/82/28/15/377822815.db2.gz GZKQMDTWCNJHLL-QGZVFWFLSA-N 1 3 254.377 3.011 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261660155 377836875 /nfs/dbraw/zinc/83/68/75/377836875.db2.gz DWIYKBBYPUZICZ-KSZLIROESA-N 1 3 272.436 3.054 20 0 CGADHO C[C@H](CN1C[C@@H](C[NH3+])C[C@H]1C)c1cccc(Cl)c1 ZINC000262016341 377879961 /nfs/dbraw/zinc/87/99/61/377879961.db2.gz VSXGYHBEDNKXFT-JHJVBQTASA-N 1 3 266.816 3.113 20 0 CGADHO C[C@H](CN(C)CC(C)(C)C[NH3+])c1cccc(Cl)c1 ZINC000262038334 377881670 /nfs/dbraw/zinc/88/16/70/377881670.db2.gz XZKOPNQYKWWRMI-GFCCVEGCSA-N 1 3 268.832 3.360 20 0 CGADHO C[C@]1(CN2CCC[C@@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146787 377889867 /nfs/dbraw/zinc/88/98/67/377889867.db2.gz ZPGLVIPAUQZZKP-ZWKOTPCHSA-N 1 3 272.436 3.040 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261734698 377848143 /nfs/dbraw/zinc/84/81/43/377848143.db2.gz LODHVWAUZWDSDP-XIRDDKMYSA-N 1 3 272.436 3.153 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000261824830 377857144 /nfs/dbraw/zinc/85/71/44/377857144.db2.gz AWSLQGOTCXPXAU-PKOBYXMFSA-N 1 3 291.398 3.445 20 0 CGADHO COc1ccc2cc(CN3CCC[C@@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000261823902 377857930 /nfs/dbraw/zinc/85/79/30/377857930.db2.gz AXPAQSARJLIAIV-KBXCAEBGSA-N 1 3 298.430 3.408 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262517840 377900100 /nfs/dbraw/zinc/90/01/00/377900100.db2.gz NRBKKLUSZXRXHJ-YXJHDRRASA-N 1 3 296.414 3.018 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCC2(O)CCC(C)(C)CC2)CC1 ZINC000575936276 378001700 /nfs/dbraw/zinc/00/17/00/378001700.db2.gz PWXRJNGSAZURLA-UHFFFAOYSA-N 1 3 296.499 3.170 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000578248045 378051732 /nfs/dbraw/zinc/05/17/32/378051732.db2.gz SAOGYLQMPFVLPB-MCIONIFRSA-N 1 3 286.341 3.192 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCSc2ccccc2)C1 ZINC000578453113 378071669 /nfs/dbraw/zinc/07/16/69/378071669.db2.gz GVEMGZCIXRQOHJ-KGLIPLIRSA-N 1 3 264.438 3.028 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)c(C)c1 ZINC000578905448 378111709 /nfs/dbraw/zinc/11/17/09/378111709.db2.gz CIFWFTJNMJOGTA-XIRDDKMYSA-N 1 3 260.425 3.094 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)COC2 ZINC000268720053 378096098 /nfs/dbraw/zinc/09/60/98/378096098.db2.gz IENNTBOPBHHHRM-HNNXBMFYSA-N 1 3 288.435 3.243 20 0 CGADHO CCc1ccc(CN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000345177385 378214306 /nfs/dbraw/zinc/21/43/06/378214306.db2.gz HWFBPBRRGDYAFB-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000344317948 378166497 /nfs/dbraw/zinc/16/64/97/378166497.db2.gz FVZAHBXANVWKGJ-INIZCTEOSA-N 1 3 276.811 3.179 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000579494026 378167261 /nfs/dbraw/zinc/16/72/61/378167261.db2.gz DDJNAXJCLGJGMK-HZPDHXFCSA-N 1 3 278.465 3.088 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346574058 378629894 /nfs/dbraw/zinc/62/98/94/378629894.db2.gz ZFUUVXJOGMHWFQ-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000346480741 378590633 /nfs/dbraw/zinc/59/06/33/378590633.db2.gz FZEIVYJKTMYVQD-FPSMNIFISA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]([NH2+]Cc1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272241270 378593296 /nfs/dbraw/zinc/59/32/96/378593296.db2.gz WOVBHQFRFZPWBC-LPHOPBHVSA-N 1 3 295.430 3.082 20 0 CGADHO C(C1CCSCC1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000637889051 378618556 /nfs/dbraw/zinc/61/85/56/378618556.db2.gz KKKGNRXWMAVYOK-UHFFFAOYSA-N 1 3 282.497 3.080 20 0 CGADHO [NH3+]CC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000346686914 378675023 /nfs/dbraw/zinc/67/50/23/378675023.db2.gz KUWFOJNAYHQBJV-UHFFFAOYSA-N 1 3 288.435 3.179 20 0 CGADHO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272605897 378675147 /nfs/dbraw/zinc/67/51/47/378675147.db2.gz ZEQUHLRPTDKMHW-FUHWJXTLSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272605897 378675152 /nfs/dbraw/zinc/67/51/52/378675152.db2.gz ZEQUHLRPTDKMHW-FUHWJXTLSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272605897 378675157 /nfs/dbraw/zinc/67/51/57/378675157.db2.gz ZEQUHLRPTDKMHW-FUHWJXTLSA-N 1 3 272.436 3.453 20 0 CGADHO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000346966114 378699900 /nfs/dbraw/zinc/69/99/00/378699900.db2.gz CNPBOSJFKYAAHE-KEYYUXOJSA-N 1 3 276.399 3.208 20 0 CGADHO Cc1ccoc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000266223256 190241238 /nfs/dbraw/zinc/24/12/38/190241238.db2.gz RQXAWULKMFXIOE-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1ccoc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000266223256 190241239 /nfs/dbraw/zinc/24/12/39/190241239.db2.gz RQXAWULKMFXIOE-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO CN1CC=C(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278472454 194001461 /nfs/dbraw/zinc/00/14/61/194001461.db2.gz HNYBJBXXGHVENO-UHFFFAOYSA-N 1 3 296.817 3.263 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1(C)C ZINC000346882656 218048762 /nfs/dbraw/zinc/04/87/62/218048762.db2.gz YSFFWNRAEQGZLZ-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCC[C@@H](C)[NH+]2CCCCC2)C1(C)C ZINC000346882656 218048764 /nfs/dbraw/zinc/04/87/64/218048764.db2.gz YSFFWNRAEQGZLZ-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346858594 218039372 /nfs/dbraw/zinc/03/93/72/218039372.db2.gz XQSYXTRJJOIBTB-MRXNPFEDSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346858594 218039374 /nfs/dbraw/zinc/03/93/74/218039374.db2.gz XQSYXTRJJOIBTB-MRXNPFEDSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)(C)N(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346858594 218039376 /nfs/dbraw/zinc/03/93/76/218039376.db2.gz XQSYXTRJJOIBTB-MRXNPFEDSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]CC2(C(C)C)CC2)C1 ZINC000638566973 378838172 /nfs/dbraw/zinc/83/81/72/378838172.db2.gz UUQZSXACRXDTFA-OAHLLOKOSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@](C)(C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)OC ZINC000638973218 378963208 /nfs/dbraw/zinc/96/32/08/378963208.db2.gz YOTNSPPOASZQRF-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638973218 378963214 /nfs/dbraw/zinc/96/32/14/378963214.db2.gz YOTNSPPOASZQRF-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973218 378963220 /nfs/dbraw/zinc/96/32/20/378963220.db2.gz YOTNSPPOASZQRF-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)COc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347064103 218110262 /nfs/dbraw/zinc/11/02/62/218110262.db2.gz JIZZDYZFYXPTPS-OAHLLOKOSA-N 1 3 290.451 3.281 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152889 218139672 /nfs/dbraw/zinc/13/96/72/218139672.db2.gz BMXGKZFUNPDFON-DNVCBOLYSA-N 1 3 295.430 3.450 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152889 218139675 /nfs/dbraw/zinc/13/96/75/218139675.db2.gz BMXGKZFUNPDFON-DNVCBOLYSA-N 1 3 295.430 3.450 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000347235419 218163768 /nfs/dbraw/zinc/16/37/68/218163768.db2.gz QCEPPAUBFRDXDE-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@]1(F)CCN(CCCCC[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000347345315 218198442 /nfs/dbraw/zinc/19/84/42/218198442.db2.gz HXYSQYWNQUDUCX-GJZGRUSLSA-N 1 3 274.399 3.025 20 0 CGADHO C[C@]1(F)CCN(CCCCC[N@H+]2CC[C@](C)(F)C2)C1 ZINC000347345315 218198443 /nfs/dbraw/zinc/19/84/43/218198443.db2.gz HXYSQYWNQUDUCX-GJZGRUSLSA-N 1 3 274.399 3.025 20 0 CGADHO COC1([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCCCC1 ZINC000421828569 284749971 /nfs/dbraw/zinc/74/99/71/284749971.db2.gz DJDGRCYSTZMWBU-XHSDSOJGSA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169592 379089058 /nfs/dbraw/zinc/08/90/58/379089058.db2.gz GQFHJDMJOSCETD-FPAYPSAMSA-N 1 3 286.463 3.499 20 0 CGADHO CC(C)[C@@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000372065062 379189041 /nfs/dbraw/zinc/18/90/41/379189041.db2.gz ATLMTPOLXXLPTN-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000372065062 379189055 /nfs/dbraw/zinc/18/90/55/379189055.db2.gz ATLMTPOLXXLPTN-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO Cc1ccc2[nH]c(C[NH2+]CC3=CCN(C)CC3)cc2c1C ZINC000349603567 379316175 /nfs/dbraw/zinc/31/61/75/379316175.db2.gz XELPIUCVVPQUNE-UHFFFAOYSA-N 1 3 283.419 3.136 20 0 CGADHO Cc1ccccc1[C@@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278341026 379354564 /nfs/dbraw/zinc/35/45/64/379354564.db2.gz AHURLXQSSNVKQN-IAGOWNOFSA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccccc1[C@@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278341026 379354566 /nfs/dbraw/zinc/35/45/66/379354566.db2.gz AHURLXQSSNVKQN-IAGOWNOFSA-N 1 3 290.451 3.147 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510244 379443284 /nfs/dbraw/zinc/44/32/84/379443284.db2.gz ZHGLPJAOZIQORY-WBVHZDCISA-N 1 3 289.467 3.311 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639510244 379443290 /nfs/dbraw/zinc/44/32/90/379443290.db2.gz ZHGLPJAOZIQORY-WBVHZDCISA-N 1 3 289.467 3.311 20 0 CGADHO C[N@H+](Cc1cccs1)C1CCN(c2ccncc2)CC1 ZINC000377701603 379725237 /nfs/dbraw/zinc/72/52/37/379725237.db2.gz UCTRBQJYYLTDQA-UHFFFAOYSA-N 1 3 287.432 3.244 20 0 CGADHO C[N@@H+](Cc1cccs1)C1CCN(c2ccncc2)CC1 ZINC000377701603 379725243 /nfs/dbraw/zinc/72/52/43/379725243.db2.gz UCTRBQJYYLTDQA-UHFFFAOYSA-N 1 3 287.432 3.244 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652938 379962882 /nfs/dbraw/zinc/96/28/82/379962882.db2.gz MAIAMBANEUQYPP-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282987373 380019704 /nfs/dbraw/zinc/01/97/04/380019704.db2.gz FHMGPJWLAFIKOD-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO Cc1nc2ccccc2c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1C ZINC000643031777 380205892 /nfs/dbraw/zinc/20/58/92/380205892.db2.gz XXKQRPBPZSMONU-WMLDXEAASA-N 1 3 281.403 3.040 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCCOc3ccccc32)C1 ZINC000414200949 380201157 /nfs/dbraw/zinc/20/11/57/380201157.db2.gz XXYVIPRJLMMINX-DOTOQJQBSA-N 1 3 288.435 3.222 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCCOc3ccccc32)C1 ZINC000414200949 380201162 /nfs/dbraw/zinc/20/11/62/380201162.db2.gz XXYVIPRJLMMINX-DOTOQJQBSA-N 1 3 288.435 3.222 20 0 CGADHO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000353975443 380259230 /nfs/dbraw/zinc/25/92/30/380259230.db2.gz UWQKTUNOEWLWJO-KBAYOESNSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000353975443 380259235 /nfs/dbraw/zinc/25/92/35/380259235.db2.gz UWQKTUNOEWLWJO-KBAYOESNSA-N 1 3 290.451 3.227 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000643499171 380320677 /nfs/dbraw/zinc/32/06/77/380320677.db2.gz DEIPGSRSAARFJB-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO C[C@H](NC1CCC([NH3+])CC1)c1ncc(-c2ccccc2)n1C ZINC000643503565 380326420 /nfs/dbraw/zinc/32/64/20/380326420.db2.gz BJRODARQEHRTRL-JEYLPNPQSA-N 1 3 298.434 3.008 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643503550 380326955 /nfs/dbraw/zinc/32/69/55/380326955.db2.gz YRFQQSJYGLGNHT-VBQJREDUSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H]1CCCNC1 ZINC000643458026 380310069 /nfs/dbraw/zinc/31/00/69/380310069.db2.gz QRYXJJMMQONFBJ-ZOFXXKQRSA-N 1 3 264.457 3.323 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)CN)c1cccc2ccccc21 ZINC000643514828 380336362 /nfs/dbraw/zinc/33/63/62/380336362.db2.gz ODMGDKDABUEXHT-GUYCJALGSA-N 1 3 256.393 3.475 20 0 CGADHO CC[C@H](NC[C@@H](C)C[NH3+])c1cccc2ccccc21 ZINC000643514828 380336368 /nfs/dbraw/zinc/33/63/68/380336368.db2.gz ODMGDKDABUEXHT-GUYCJALGSA-N 1 3 256.393 3.475 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)[C@@H](C)C2 ZINC000643548546 380365699 /nfs/dbraw/zinc/36/56/99/380365699.db2.gz QOWJHKSHBZYEQZ-YXJHDRRASA-N 1 3 284.447 3.493 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)[C@@H](C)C2 ZINC000643548546 380365704 /nfs/dbraw/zinc/36/57/04/380365704.db2.gz QOWJHKSHBZYEQZ-YXJHDRRASA-N 1 3 284.447 3.493 20 0 CGADHO CC[N@H+](CC1CCC(C)CC1)[C@@H]1CCCNCC1 ZINC000414720442 380387285 /nfs/dbraw/zinc/38/72/85/380387285.db2.gz YMEGTDIZWPZTMF-UYSNPLJNSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](CC1CCC(C)CC1)[C@@H]1CCCNCC1 ZINC000414720442 380387289 /nfs/dbraw/zinc/38/72/89/380387289.db2.gz YMEGTDIZWPZTMF-UYSNPLJNSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(OCc2ccccc2)cc1 ZINC000643525961 380340781 /nfs/dbraw/zinc/34/07/81/380340781.db2.gz KINXAGORNJEXLP-LSDHHAIUSA-N 1 3 284.403 3.263 20 0 CGADHO Cc1ccc(CCC[NH2+]C[C@H](C)CN2CCCCC2)cn1 ZINC000354145306 380344614 /nfs/dbraw/zinc/34/46/14/380344614.db2.gz AQPZLCKOUQPIEB-INIZCTEOSA-N 1 3 289.467 3.034 20 0 CGADHO CC(C)=CCOc1ccc(CC[C@@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643528136 380344617 /nfs/dbraw/zinc/34/46/17/380344617.db2.gz DGHNVXFIALSGSH-HZPDHXFCSA-N 1 3 290.451 3.290 20 0 CGADHO C[C@H]([NH3+])CN[C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000643527827 380344921 /nfs/dbraw/zinc/34/49/21/380344921.db2.gz TYYWCCOUSZWBIY-STQMWFEESA-N 1 3 273.424 3.161 20 0 CGADHO Fc1ccc2c(c1)[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643533908 380348679 /nfs/dbraw/zinc/34/86/79/380348679.db2.gz HQXFQGYWCJCYMG-UKRRQHHQSA-N 1 3 292.423 3.094 20 0 CGADHO CSc1ccc([C@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534815 380349694 /nfs/dbraw/zinc/34/96/94/380349694.db2.gz DELANRLGTXJWAP-NHYWBVRUSA-N 1 3 294.439 3.340 20 0 CGADHO CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000643534957 380351001 /nfs/dbraw/zinc/35/10/01/380351001.db2.gz GIDRXRAZDXGSAV-RDJZCZTQSA-N 1 3 288.435 3.186 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546479 380359033 /nfs/dbraw/zinc/35/90/33/380359033.db2.gz PHLMDFKTQDQCOK-QWHCGFSZSA-N 1 3 264.438 3.382 20 0 CGADHO c1ccc(C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643546147 380359804 /nfs/dbraw/zinc/35/98/04/380359804.db2.gz JQDZAJALOZIYBQ-QZTJIDSGSA-N 1 3 284.447 3.272 20 0 CGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546657 380362081 /nfs/dbraw/zinc/36/20/81/380362081.db2.gz SNTBLHXQTMZSCA-KKUMJFAQSA-N 1 3 252.446 3.466 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000414813554 380424094 /nfs/dbraw/zinc/42/40/94/380424094.db2.gz UAASDBPBHNEXET-HOTGVXAUSA-N 1 3 260.425 3.430 20 0 CGADHO CC(C)[C@@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000414855704 380456885 /nfs/dbraw/zinc/45/68/85/380456885.db2.gz NJBPZKMBMQEWHT-NVXWUHKLSA-N 1 3 260.425 3.015 20 0 CGADHO CC(C)(C)c1ncc(C[NH2+][C@H](CN)C2CCCCC2)s1 ZINC000414856361 380457051 /nfs/dbraw/zinc/45/70/51/380457051.db2.gz YQLHIJIVBCSHRF-CQSZACIVSA-N 1 3 295.496 3.438 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)c1cccc(Cl)c1 ZINC000414857049 380457314 /nfs/dbraw/zinc/45/73/14/380457314.db2.gz OSZNKFHMWSWTGU-STQMWFEESA-N 1 3 266.816 3.033 20 0 CGADHO C[C@@H](CNC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000414857049 380457319 /nfs/dbraw/zinc/45/73/19/380457319.db2.gz OSZNKFHMWSWTGU-STQMWFEESA-N 1 3 266.816 3.033 20 0 CGADHO C[C@@H]([NH2+]CCCCCOc1ccccc1)[C@H]1CCCNC1 ZINC000414820467 380432765 /nfs/dbraw/zinc/43/27/65/380432765.db2.gz JMICGGMNUSLOOX-SJORKVTESA-N 1 3 290.451 3.213 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414823921 380434096 /nfs/dbraw/zinc/43/40/96/380434096.db2.gz FFPSNLFUNFIJCH-RYQLBKOJSA-N 1 3 272.436 3.220 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@@H]1C ZINC000414825809 380435238 /nfs/dbraw/zinc/43/52/38/380435238.db2.gz HTNACFXIQUHJNV-FZKCQIBNSA-N 1 3 252.446 3.036 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000414832588 380440053 /nfs/dbraw/zinc/44/00/53/380440053.db2.gz FFUHVCFSTHACBW-GJZGRUSLSA-N 1 3 262.441 3.188 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000414832588 380440057 /nfs/dbraw/zinc/44/00/57/380440057.db2.gz FFUHVCFSTHACBW-GJZGRUSLSA-N 1 3 262.441 3.188 20 0 CGADHO Clc1cccc(Cl)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000414840967 380447781 /nfs/dbraw/zinc/44/77/81/380447781.db2.gz XMPHWHIWGFWFNO-JTQLQIEISA-N 1 3 273.207 3.083 20 0 CGADHO C[C@H](CCc1cccc(F)c1)NCC1([NH3+])CCCCC1 ZINC000414850513 380453922 /nfs/dbraw/zinc/45/39/22/380453922.db2.gz ZGVHJYPCCXALCL-CQSZACIVSA-N 1 3 278.415 3.398 20 0 CGADHO C[C@H](NCc1cccc(-c2cccnc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414852644 380454313 /nfs/dbraw/zinc/45/43/13/380454313.db2.gz KEUNHPRPDOVWGF-YJBOKZPZSA-N 1 3 295.430 3.226 20 0 CGADHO CC(C)[NH+](CCCNCC1(O)CCC(C)CC1)C(C)C ZINC000644581473 380454577 /nfs/dbraw/zinc/45/45/77/380454577.db2.gz WQOJRZGPHZJICE-UHFFFAOYSA-N 1 3 284.488 3.026 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000414800113 380412341 /nfs/dbraw/zinc/41/23/41/380412341.db2.gz KSNMPXHNPKQQEN-IEBWSBKVSA-N 1 3 295.430 3.356 20 0 CGADHO COc1cc(C)c(CNCc2ccc([C@@H](C)[NH3+])cc2)c(C)n1 ZINC000414803060 380416359 /nfs/dbraw/zinc/41/63/59/380416359.db2.gz CMHHSWOYCCFTQX-CYBMUJFWSA-N 1 3 299.418 3.017 20 0 CGADHO Cc1ccccc1-c1cccc(C[NH2+]CC(C)(C)N)c1 ZINC000414802685 380416456 /nfs/dbraw/zinc/41/64/56/380416456.db2.gz LEEVHXIBDJQKBE-UHFFFAOYSA-N 1 3 268.404 3.489 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1cccc2ccccc21 ZINC000414803177 380416592 /nfs/dbraw/zinc/41/65/92/380416592.db2.gz LUZVOWHWYYLMHB-UHFFFAOYSA-N 1 3 256.393 3.447 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000414806427 380419021 /nfs/dbraw/zinc/41/90/21/380419021.db2.gz QGOXRKFZOLFHRL-MWLCHTKSSA-N 1 3 292.370 3.374 20 0 CGADHO CCSc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000414808768 380419763 /nfs/dbraw/zinc/41/97/63/380419763.db2.gz STFZXZOYCFAPEC-DZGCQCFKSA-N 1 3 264.438 3.016 20 0 CGADHO CCSc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414808769 380420278 /nfs/dbraw/zinc/42/02/78/380420278.db2.gz STFZXZOYCFAPEC-HIFRSBDPSA-N 1 3 264.438 3.016 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414806766 380420739 /nfs/dbraw/zinc/42/07/39/380420739.db2.gz QHEMRAFQFUZVPV-UONOGXRCSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414905111 380484663 /nfs/dbraw/zinc/48/46/63/380484663.db2.gz MWSWKNIFEFEUKU-FGTMMUONSA-N 1 3 272.436 3.363 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414908193 380485953 /nfs/dbraw/zinc/48/59/53/380485953.db2.gz ODGGUAOCHPQWTC-QZTJIDSGSA-N 1 3 274.452 3.295 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000414927787 380491995 /nfs/dbraw/zinc/49/19/95/380491995.db2.gz POQVNHPWEVLKKL-XWTMOSNGSA-N 1 3 272.436 3.257 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000414942961 380499647 /nfs/dbraw/zinc/49/96/47/380499647.db2.gz DWEDMKZWWBUYPJ-HYVNUMGLSA-N 1 3 260.425 3.156 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414945453 380500801 /nfs/dbraw/zinc/50/08/01/380500801.db2.gz IITDQZFJLJGRNI-VYDXJSESSA-N 1 3 274.452 3.473 20 0 CGADHO C[C@H](CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060168 380507840 /nfs/dbraw/zinc/50/78/40/380507840.db2.gz YHNRHKWBLPOROJ-HFTRVMKXSA-N 1 3 290.426 3.393 20 0 CGADHO [NH3+]C1(CNC[C@@H]2C[C@H]2c2ccccc2)CCCCCC1 ZINC000414858739 380460659 /nfs/dbraw/zinc/46/06/59/380460659.db2.gz KYRJQBAWDVXJPC-IRXDYDNUSA-N 1 3 272.436 3.431 20 0 CGADHO CNCCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414861660 380460821 /nfs/dbraw/zinc/46/08/21/380460821.db2.gz SRKSWBMNXWXEAB-IRXDYDNUSA-N 1 3 260.425 3.302 20 0 CGADHO C[C@H](CC[NH3+])NCc1cccc(Oc2ccccc2)c1 ZINC000414885631 380473663 /nfs/dbraw/zinc/47/36/63/380473663.db2.gz OYPYWLPYLXQWHD-CQSZACIVSA-N 1 3 270.376 3.306 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000414885308 380474234 /nfs/dbraw/zinc/47/42/34/380474234.db2.gz WSLVPWDWDYPHQM-TXCZRRACSA-N 1 3 260.425 3.143 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000417345275 380602305 /nfs/dbraw/zinc/60/23/05/380602305.db2.gz XLTOFLZBPIBJBM-OKYOBFRVSA-N 1 3 296.458 3.287 20 0 CGADHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)CC(C)C ZINC000419255216 380790683 /nfs/dbraw/zinc/79/06/83/380790683.db2.gz YGWGMRLXJDZKRS-BQFCYCMXSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)CC(C)C ZINC000419255216 380790689 /nfs/dbraw/zinc/79/06/89/380790689.db2.gz YGWGMRLXJDZKRS-BQFCYCMXSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255216 380790694 /nfs/dbraw/zinc/79/06/94/380790694.db2.gz YGWGMRLXJDZKRS-BQFCYCMXSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000365881684 296313890 /nfs/dbraw/zinc/31/38/90/296313890.db2.gz MJFVJHOZEKVUGC-IKGGRYGDSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000365881684 296313892 /nfs/dbraw/zinc/31/38/92/296313892.db2.gz MJFVJHOZEKVUGC-IKGGRYGDSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000365881684 296313895 /nfs/dbraw/zinc/31/38/95/296313895.db2.gz MJFVJHOZEKVUGC-IKGGRYGDSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000365881684 296313896 /nfs/dbraw/zinc/31/38/96/296313896.db2.gz MJFVJHOZEKVUGC-IKGGRYGDSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@H](N)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368709 380851197 /nfs/dbraw/zinc/85/11/97/380851197.db2.gz IELCRNLUUPERDJ-KXBFYZLASA-N 1 3 280.415 3.176 20 0 CGADHO C[C@H](N)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420368709 380851208 /nfs/dbraw/zinc/85/12/08/380851208.db2.gz IELCRNLUUPERDJ-KXBFYZLASA-N 1 3 280.415 3.176 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@@H]3CCNCC3(C)C)ccc2n1 ZINC000334844209 207174947 /nfs/dbraw/zinc/17/49/47/207174947.db2.gz UWPOIYBUHGTBHR-QGZVFWFLSA-N 1 3 283.419 3.021 20 0 CGADHO C[NH+](C)CCOCCNCc1ccc(C2CCCC2)cc1 ZINC000361455840 381752612 /nfs/dbraw/zinc/75/26/12/381752612.db2.gz GMAMJSBJXBMTDV-UHFFFAOYSA-N 1 3 290.451 3.012 20 0 CGADHO CC(C)(C[NH2+]C1CCC2(CC2)CC1)CN1CCCC1 ZINC000362923221 382150900 /nfs/dbraw/zinc/15/09/00/382150900.db2.gz JAQQXHHDKKCGSR-UHFFFAOYSA-N 1 3 264.457 3.421 20 0 CGADHO CC(C)N(C)CCC[NH2+]Cc1cccc2cnccc21 ZINC000228555540 542298889 /nfs/dbraw/zinc/29/88/89/542298889.db2.gz XDQMBNJBEBCGGA-UHFFFAOYSA-N 1 3 271.408 3.055 20 0 CGADHO CC[C@H]1CN(Cc2cc(C)nc3ccccc23)CC[C@H]1[NH3+] ZINC000251876529 542348803 /nfs/dbraw/zinc/34/88/03/542348803.db2.gz UWDBASZRZHDSRS-WMLDXEAASA-N 1 3 283.419 3.102 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000251946486 542348766 /nfs/dbraw/zinc/34/87/66/542348766.db2.gz WKQZPDJLZGFKRJ-FPCVCCKLSA-N 1 3 252.446 3.131 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745337 220294876 /nfs/dbraw/zinc/29/48/76/220294876.db2.gz JCFIHWPFSFKPIL-KXBFYZLASA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745337 220294879 /nfs/dbraw/zinc/29/48/79/220294879.db2.gz JCFIHWPFSFKPIL-KXBFYZLASA-N 1 3 286.463 3.337 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765994 220314738 /nfs/dbraw/zinc/31/47/38/220314738.db2.gz FVRBILNOYBJMCW-HIFRSBDPSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765994 220314741 /nfs/dbraw/zinc/31/47/41/220314741.db2.gz FVRBILNOYBJMCW-HIFRSBDPSA-N 1 3 294.414 3.139 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000353822064 220349659 /nfs/dbraw/zinc/34/96/59/220349659.db2.gz UDMVZIZETSJKSF-ZQIUZPCESA-N 1 3 276.424 3.076 20 0 CGADHO CC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000037979302 285192031 /nfs/dbraw/zinc/19/20/31/285192031.db2.gz OJBXUUZKQIYHMI-SFHVURJKSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@H]1CN(Cc2ccc3cc(OC)ccc3c2)CC[C@H]1[NH3+] ZINC000317641526 542437993 /nfs/dbraw/zinc/43/79/93/542437993.db2.gz YJGGEIAUITYFEP-HNAYVOBHSA-N 1 3 298.430 3.408 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CCS2 ZINC000423399746 533300643 /nfs/dbraw/zinc/30/06/43/533300643.db2.gz UXYDVHYTYQQTRZ-YWPYICTPSA-N 1 3 292.448 3.092 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)CN)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423309749 533409006 /nfs/dbraw/zinc/40/90/06/533409006.db2.gz QOHFYBJAGWDXKY-ZRUFSTJUSA-N 1 3 272.845 3.078 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414186890 533410169 /nfs/dbraw/zinc/41/01/69/533410169.db2.gz PPOGFZQBFCDFDV-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414186890 533410174 /nfs/dbraw/zinc/41/01/74/533410174.db2.gz PPOGFZQBFCDFDV-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cncc(F)c1 ZINC000423507839 533509224 /nfs/dbraw/zinc/50/92/24/533509224.db2.gz QOIOGJIFISENAE-DYVFJYSZSA-N 1 3 287.382 3.352 20 0 CGADHO C[C@@H](CC[NH+]1CCC(N(C)C)CC1)OCc1ccccc1 ZINC000354893868 533581479 /nfs/dbraw/zinc/58/14/79/533581479.db2.gz NXWMVNHKONZMAD-INIZCTEOSA-N 1 3 290.451 3.008 20 0 CGADHO C[C@@H](CCCc1cccnc1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423387992 533567471 /nfs/dbraw/zinc/56/74/71/533567471.db2.gz MKENIXFKBNFTRW-RDJZCZTQSA-N 1 3 289.467 3.161 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CCN1 ZINC000423380583 533659042 /nfs/dbraw/zinc/65/90/42/533659042.db2.gz NBFSQTFSAIZRSK-PVUWLOKVSA-N 1 3 292.854 3.391 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]1 ZINC000423380583 533659050 /nfs/dbraw/zinc/65/90/50/533659050.db2.gz NBFSQTFSAIZRSK-PVUWLOKVSA-N 1 3 292.854 3.391 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000386105757 542603425 /nfs/dbraw/zinc/60/34/25/542603425.db2.gz SIVIROZLUZENEK-XUWVNRHRSA-N 1 3 250.430 3.029 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000388923865 542606073 /nfs/dbraw/zinc/60/60/73/542606073.db2.gz AYZQFQICDKNAIG-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO CC(C)(C)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414922886 542640507 /nfs/dbraw/zinc/64/05/07/542640507.db2.gz HQDHLFRIKZJVJS-VXGBXAGGSA-N 1 3 266.454 3.405 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037649332 391982801 /nfs/dbraw/zinc/98/28/01/391982801.db2.gz RVYFSJDJSOWELF-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037649332 391982804 /nfs/dbraw/zinc/98/28/04/391982804.db2.gz RVYFSJDJSOWELF-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO C(CC1CCCCC1)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994686 391965568 /nfs/dbraw/zinc/96/55/68/391965568.db2.gz UCTHZGOMFAOZCX-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000361763653 392317251 /nfs/dbraw/zinc/31/72/51/392317251.db2.gz ISJLISRUANYDNM-LXZKKBNFSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OC)c1 ZINC000361763653 392317255 /nfs/dbraw/zinc/31/72/55/392317255.db2.gz ISJLISRUANYDNM-LXZKKBNFSA-N 1 3 276.424 3.219 20 0 CGADHO C[NH+]1CCC(CCNCc2ccccc2OC(F)F)CC1 ZINC000105454889 392289870 /nfs/dbraw/zinc/28/98/70/392289870.db2.gz LSZNRJMVQANRJE-UHFFFAOYSA-N 1 3 298.377 3.110 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000249372150 131121635 /nfs/dbraw/zinc/12/16/35/131121635.db2.gz DBNLRYKVXFWCIJ-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC000249372150 131121636 /nfs/dbraw/zinc/12/16/36/131121636.db2.gz DBNLRYKVXFWCIJ-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC000249372150 131121638 /nfs/dbraw/zinc/12/16/38/131121638.db2.gz DBNLRYKVXFWCIJ-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2ccccc21 ZINC000249312053 131121833 /nfs/dbraw/zinc/12/18/33/131121833.db2.gz MDDHMGGSIYYYCE-KJWYOANISA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCCc2ccccc21 ZINC000249312053 131121835 /nfs/dbraw/zinc/12/18/35/131121835.db2.gz MDDHMGGSIYYYCE-KJWYOANISA-N 1 3 272.436 3.382 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655615 392383038 /nfs/dbraw/zinc/38/30/38/392383038.db2.gz NYBXWLDGYHALNW-WCQYABFASA-N 1 3 286.341 3.265 20 0 CGADHO COCC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000367090531 392470429 /nfs/dbraw/zinc/47/04/29/392470429.db2.gz AFOCLADSGHZKJQ-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000157947043 392551837 /nfs/dbraw/zinc/55/18/37/392551837.db2.gz HPFRONQENDRDMN-CABCVRRESA-N 1 3 264.413 3.442 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000157947043 392551839 /nfs/dbraw/zinc/55/18/39/392551839.db2.gz HPFRONQENDRDMN-CABCVRRESA-N 1 3 264.413 3.442 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cncc(F)c1 ZINC000157942011 392551902 /nfs/dbraw/zinc/55/19/02/392551902.db2.gz YXMGZVKKHYIWSF-GJZGRUSLSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cncc(F)c1 ZINC000157942011 392551906 /nfs/dbraw/zinc/55/19/06/392551906.db2.gz YXMGZVKKHYIWSF-GJZGRUSLSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158705228 392574496 /nfs/dbraw/zinc/57/44/96/392574496.db2.gz IQQKWOYMQXWLAJ-YSVLISHTSA-N 1 3 276.399 3.303 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158705228 392574500 /nfs/dbraw/zinc/57/45/00/392574500.db2.gz IQQKWOYMQXWLAJ-YSVLISHTSA-N 1 3 276.399 3.303 20 0 CGADHO Cc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000302555017 392616415 /nfs/dbraw/zinc/61/64/15/392616415.db2.gz JKTMPFPUKSRMHD-DLBZAZTESA-N 1 3 287.451 3.481 20 0 CGADHO Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccn1 ZINC000302555017 392616423 /nfs/dbraw/zinc/61/64/23/392616423.db2.gz JKTMPFPUKSRMHD-DLBZAZTESA-N 1 3 287.451 3.481 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492604 542707783 /nfs/dbraw/zinc/70/77/83/542707783.db2.gz PKHYUTCUMUQEEA-SJLPKXTDSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCOC3CCCCCC3)CC[C@H]21 ZINC000483492604 542707787 /nfs/dbraw/zinc/70/77/87/542707787.db2.gz PKHYUTCUMUQEEA-SJLPKXTDSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H]1C[C@H](CNC2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC000647552749 392765438 /nfs/dbraw/zinc/76/54/38/392765438.db2.gz UZWOMCJCFXCHDV-QWHCGFSZSA-N 1 3 278.827 3.307 20 0 CGADHO Cc1cccc(C2(N[C@@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000647802878 392805073 /nfs/dbraw/zinc/80/50/73/392805073.db2.gz WORUVYJACLXUND-MRXNPFEDSA-N 1 3 258.409 3.106 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)N(CC)C[C@@H]1CC[NH2+]C1 ZINC000647889321 392826371 /nfs/dbraw/zinc/82/63/71/392826371.db2.gz GAIHOTSIHKQTSI-QZTJIDSGSA-N 1 3 274.452 3.248 20 0 CGADHO C[C@H](c1ccccc1)N(CC1CCC1)C[C@H]1CC[NH2+]C1 ZINC000647888058 392826997 /nfs/dbraw/zinc/82/69/97/392826997.db2.gz GIDSPSCKCYZFEI-WBVHZDCISA-N 1 3 272.436 3.459 20 0 CGADHO CCN(CCOc1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000647912904 392832218 /nfs/dbraw/zinc/83/22/18/392832218.db2.gz AOEZBTLMPUOJQK-QGZVFWFLSA-N 1 3 290.451 3.146 20 0 CGADHO CC1([NH3+])CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000647925371 392834144 /nfs/dbraw/zinc/83/41/44/392834144.db2.gz GJVUDHWKSINFFO-UHFFFAOYSA-N 1 3 266.816 3.086 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000337999739 392895345 /nfs/dbraw/zinc/89/53/45/392895345.db2.gz XSRDBYAVJAHUGV-MSOLQXFVSA-N 1 3 272.436 3.417 20 0 CGADHO Cc1cccc([C@H](NC[C@@H]2CC[NH2+]C2)C(C)(C)C)c1 ZINC000647992270 392860489 /nfs/dbraw/zinc/86/04/89/392860489.db2.gz YMYGSSFDQMAXNU-ZBFHGGJFSA-N 1 3 260.425 3.281 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516291258 392864214 /nfs/dbraw/zinc/86/42/14/392864214.db2.gz NUBZUQPQDWNBHW-IAGOWNOFSA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000516291258 392864218 /nfs/dbraw/zinc/86/42/18/392864218.db2.gz NUBZUQPQDWNBHW-IAGOWNOFSA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000516291258 392864222 /nfs/dbraw/zinc/86/42/22/392864222.db2.gz NUBZUQPQDWNBHW-IAGOWNOFSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423360258 285510543 /nfs/dbraw/zinc/51/05/43/285510543.db2.gz QGADXEFUURTJSW-GOSISDBHSA-N 1 3 264.372 3.067 20 0 CGADHO CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211366042 392985024 /nfs/dbraw/zinc/98/50/24/392985024.db2.gz UXGQINVLTQCWQZ-UHFFFAOYSA-N 1 3 284.378 3.103 20 0 CGADHO CC(C)c1ccc(CN(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000232762185 393027137 /nfs/dbraw/zinc/02/71/37/393027137.db2.gz IUIBRWAMQZVOSO-KRWDZBQOSA-N 1 3 260.425 3.384 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2cccc(Cl)c2F)C1 ZINC000414985864 393081432 /nfs/dbraw/zinc/08/14/32/393081432.db2.gz BQEQGAUDZQLWTE-CMPLNLGQSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC000346356146 393085660 /nfs/dbraw/zinc/08/56/60/393085660.db2.gz CPUYAVMHZYXEOM-RYRKJORJSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000346524495 393089763 /nfs/dbraw/zinc/08/97/63/393089763.db2.gz GHNVIENTBPQOQJ-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415005062 393090055 /nfs/dbraw/zinc/09/00/55/393090055.db2.gz OQYWLNASTWNPBM-AETAKHFUSA-N 1 3 290.426 3.297 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000415017650 393098170 /nfs/dbraw/zinc/09/81/70/393098170.db2.gz QISREIXJMUEUND-ZIAGYGMSSA-N 1 3 284.403 3.188 20 0 CGADHO COc1cc(Cl)c(CN[C@@H](C)CCC[NH3+])cc1Cl ZINC000415016201 393098332 /nfs/dbraw/zinc/09/83/32/393098332.db2.gz BUYNZTXZTOWKQQ-VIFPVBQESA-N 1 3 291.222 3.219 20 0 CGADHO C[C@H](CCC[NH3+])NCc1ncc(-c2ccccc2)s1 ZINC000415019338 393100298 /nfs/dbraw/zinc/10/02/98/393100298.db2.gz ICATVSLZVLLLNX-GFCCVEGCSA-N 1 3 275.421 3.027 20 0 CGADHO Cc1ccc(-c2nc(CN[C@H](C)CCC[NH3+])cs2)cc1 ZINC000415024679 393100916 /nfs/dbraw/zinc/10/09/16/393100916.db2.gz PIKMEOUDAWKFKS-CYBMUJFWSA-N 1 3 289.448 3.336 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414952251 393060260 /nfs/dbraw/zinc/06/02/60/393060260.db2.gz INJWWWCLJRTHFH-DGCLKSJQSA-N 1 3 266.454 3.133 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414955198 393063702 /nfs/dbraw/zinc/06/37/02/393063702.db2.gz LUTBTZIQMYFCNS-SWLSCSKDSA-N 1 3 266.816 3.044 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]([NH2+]CCCN1CCCC1)C2 ZINC000648495929 393068215 /nfs/dbraw/zinc/06/82/15/393068215.db2.gz UWKBTEGOPQBDEF-GOSISDBHSA-N 1 3 272.436 3.010 20 0 CGADHO CCOc1c(Cl)cccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414969188 393072912 /nfs/dbraw/zinc/07/29/12/393072912.db2.gz SLAWKSJUERZFLW-AWEZNQCLSA-N 1 3 296.842 3.361 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414980057 393077011 /nfs/dbraw/zinc/07/70/11/393077011.db2.gz OTPDHGNIKGOFNI-CYBMUJFWSA-N 1 3 278.396 3.381 20 0 CGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1c(F)cccc1Cl ZINC000414983809 393078913 /nfs/dbraw/zinc/07/89/13/393078913.db2.gz CHJUIZNYJVCJBJ-SWKMLJDHSA-N 1 3 282.790 3.085 20 0 CGADHO C1=CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000250883462 393115275 /nfs/dbraw/zinc/11/52/75/393115275.db2.gz VZAILKVYXCQZGU-MWDXBVQZSA-N 1 3 262.441 3.243 20 0 CGADHO Cc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000415053648 393115662 /nfs/dbraw/zinc/11/56/62/393115662.db2.gz OYLVLOSCFWNXGE-AEFFLSMTSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]CCCNC2CC2)cc1 ZINC000415065840 393123333 /nfs/dbraw/zinc/12/33/33/393123333.db2.gz HUZOFCDEOAAHDR-HNNXBMFYSA-N 1 3 260.425 3.048 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000415077494 393131336 /nfs/dbraw/zinc/13/13/36/393131336.db2.gz FHNNHDUDFXUZSP-AWEZNQCLSA-N 1 3 276.424 3.124 20 0 CGADHO Cc1cc2c(cc1C)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423390406 292010369 /nfs/dbraw/zinc/01/03/69/292010369.db2.gz OSUOZSVBDAKFAX-ZMSDIMECSA-N 1 3 288.435 3.377 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000480660665 393435636 /nfs/dbraw/zinc/43/56/36/393435636.db2.gz GLWRQMGFSJHGMP-YOEHRIQHSA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000480660665 393435641 /nfs/dbraw/zinc/43/56/41/393435641.db2.gz GLWRQMGFSJHGMP-YOEHRIQHSA-N 1 3 260.425 3.240 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCCOc2ccccc2)CC1 ZINC000429553389 393478012 /nfs/dbraw/zinc/47/80/12/393478012.db2.gz NTEFBBQHVMOERM-QGZVFWFLSA-N 1 3 290.451 3.262 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)CC1 ZINC000429553389 393478019 /nfs/dbraw/zinc/47/80/19/393478019.db2.gz NTEFBBQHVMOERM-QGZVFWFLSA-N 1 3 290.451 3.262 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCCCOc2ccccc2)CC1 ZINC000429553389 393478026 /nfs/dbraw/zinc/47/80/26/393478026.db2.gz NTEFBBQHVMOERM-QGZVFWFLSA-N 1 3 290.451 3.262 20 0 CGADHO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378785 393478346 /nfs/dbraw/zinc/47/83/46/393478346.db2.gz XFZYGBLMHPMXQY-SUNKGSAMSA-N 1 3 268.351 3.100 20 0 CGADHO [NH3+]C[C@@H](NCCSc1ccccc1)C1CCCCC1 ZINC000420377388 393478563 /nfs/dbraw/zinc/47/85/63/393478563.db2.gz WFWOHVZQLAGUPT-MRXNPFEDSA-N 1 3 278.465 3.276 20 0 CGADHO CCC[C@@H](C[NH2+][C@H]1CCCNCC1)c1ccccc1 ZINC000666856406 542821064 /nfs/dbraw/zinc/82/10/64/542821064.db2.gz GXLZPQDAWUKQHM-IRXDYDNUSA-N 1 3 260.425 3.302 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000666857602 542821705 /nfs/dbraw/zinc/82/17/05/542821705.db2.gz AJXWGZLTZZBFST-ULQDDVLXSA-N 1 3 276.399 3.194 20 0 CGADHO [NH3+]C[C@@H]1CCCN(CCCOc2cccc3ccccc32)C1 ZINC000430627779 393582528 /nfs/dbraw/zinc/58/25/28/393582528.db2.gz NKWMNMBQHJPHQJ-INIZCTEOSA-N 1 3 298.430 3.279 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCCC[NH+]1CCCC1)[C@@H](C)C2 ZINC000491329575 393680527 /nfs/dbraw/zinc/68/05/27/393680527.db2.gz MZHXNPLGLBODQE-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)[C@@H](C)C2 ZINC000491329575 393680531 /nfs/dbraw/zinc/68/05/31/393680531.db2.gz MZHXNPLGLBODQE-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000432424546 393613011 /nfs/dbraw/zinc/61/30/11/393613011.db2.gz JMXUGRVPROCOMY-GMRIPVOYSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000432424546 393613013 /nfs/dbraw/zinc/61/30/13/393613013.db2.gz JMXUGRVPROCOMY-GMRIPVOYSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432424546 393613016 /nfs/dbraw/zinc/61/30/16/393613016.db2.gz JMXUGRVPROCOMY-GMRIPVOYSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000491324975 393680705 /nfs/dbraw/zinc/68/07/05/393680705.db2.gz YDFLWNZUVLTIDK-KBXCAEBGSA-N 1 3 272.436 3.138 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000491324975 393680706 /nfs/dbraw/zinc/68/07/06/393680706.db2.gz YDFLWNZUVLTIDK-KBXCAEBGSA-N 1 3 272.436 3.138 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000422718167 393641081 /nfs/dbraw/zinc/64/10/81/393641081.db2.gz PFWCQJLIFDCXBC-FZKCQIBNSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@H]1CCCCN1 ZINC000422827966 393644752 /nfs/dbraw/zinc/64/47/52/393644752.db2.gz AHFYZOZGYMNODQ-IAOVAPTHSA-N 1 3 290.476 3.137 20 0 CGADHO CC(C)c1ccc(C[C@H](C)[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000423020498 393646908 /nfs/dbraw/zinc/64/69/08/393646908.db2.gz BSNLPSLTUGYWPO-KKUMJFAQSA-N 1 3 262.441 3.456 20 0 CGADHO CC(C)c1ccc(C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423020498 393646911 /nfs/dbraw/zinc/64/69/11/393646911.db2.gz BSNLPSLTUGYWPO-KKUMJFAQSA-N 1 3 262.441 3.456 20 0 CGADHO CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000423252329 393656211 /nfs/dbraw/zinc/65/62/11/393656211.db2.gz XOSHNUPMSOGYDR-KSZLIROESA-N 1 3 289.467 3.059 20 0 CGADHO CC(C)c1ccc([C@H](N)CN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423252329 393656215 /nfs/dbraw/zinc/65/62/15/393656215.db2.gz XOSHNUPMSOGYDR-KSZLIROESA-N 1 3 289.467 3.059 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423275730 393657723 /nfs/dbraw/zinc/65/77/23/393657723.db2.gz NOIFXAJJIBCZHD-USXIJHARSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)CC2 ZINC000423275730 393657728 /nfs/dbraw/zinc/65/77/28/393657728.db2.gz NOIFXAJJIBCZHD-USXIJHARSA-N 1 3 258.409 3.089 20 0 CGADHO CC[C@@H](NCCCC[NH3+])c1ccccc1Br ZINC000423335962 393662388 /nfs/dbraw/zinc/66/23/88/393662388.db2.gz UKZNKXQVVYKSRH-CYBMUJFWSA-N 1 3 285.229 3.229 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000423529573 393671300 /nfs/dbraw/zinc/67/13/00/393671300.db2.gz OPYHEGLOTLWSEE-WCQYABFASA-N 1 3 252.427 3.225 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000435380032 393714711 /nfs/dbraw/zinc/71/47/11/393714711.db2.gz PEYWFJNPKANZRP-RHSMWYFYSA-N 1 3 260.425 3.022 20 0 CGADHO CCc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443676845 393770426 /nfs/dbraw/zinc/77/04/26/393770426.db2.gz VPEWKMFDJKEEOZ-JKSUJKDBSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443676845 393770428 /nfs/dbraw/zinc/77/04/28/393770428.db2.gz VPEWKMFDJKEEOZ-JKSUJKDBSA-N 1 3 295.430 3.258 20 0 CGADHO CC[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H](C)O ZINC000449538039 393888261 /nfs/dbraw/zinc/88/82/61/393888261.db2.gz GUPSLFABTVTSOO-GDBMZVCRSA-N 1 3 298.515 3.415 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[C@@H](C)O ZINC000449538039 393888264 /nfs/dbraw/zinc/88/82/64/393888264.db2.gz GUPSLFABTVTSOO-GDBMZVCRSA-N 1 3 298.515 3.415 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000501471438 393854134 /nfs/dbraw/zinc/85/41/34/393854134.db2.gz ZFWXBDXOGGVPJI-SJORKVTESA-N 1 3 290.451 3.220 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000501471434 393854460 /nfs/dbraw/zinc/85/44/60/393854460.db2.gz ZFWXBDXOGGVPJI-DLBZAZTESA-N 1 3 290.451 3.220 20 0 CGADHO CC1(C)CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995251 542832506 /nfs/dbraw/zinc/83/25/06/542832506.db2.gz HTSQDEXSOXCRII-CQSZACIVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H](C)c1ccccc1 ZINC000666995272 542832781 /nfs/dbraw/zinc/83/27/81/542832781.db2.gz JEZACYGXULZATB-HLLBOEOZSA-N 1 3 272.436 3.443 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCNC3(CCC3)C2)s1 ZINC000666998226 542834673 /nfs/dbraw/zinc/83/46/73/542834673.db2.gz ISGKSSDBULBQLG-GFCCVEGCSA-N 1 3 264.438 3.075 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccncc1 ZINC000453068431 394160637 /nfs/dbraw/zinc/16/06/37/394160637.db2.gz AHGPSCWYNMANBN-RDJZCZTQSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cn1 ZINC000453407098 394236799 /nfs/dbraw/zinc/23/67/99/394236799.db2.gz RUDNJZHKYUOGHS-GFCCVEGCSA-N 1 3 281.831 3.260 20 0 CGADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cn1 ZINC000453407098 394236800 /nfs/dbraw/zinc/23/68/00/394236800.db2.gz RUDNJZHKYUOGHS-GFCCVEGCSA-N 1 3 281.831 3.260 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000453451693 394247125 /nfs/dbraw/zinc/24/71/25/394247125.db2.gz RQNAYYKPNCGFGZ-FXUDXRNXSA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000453451693 394247129 /nfs/dbraw/zinc/24/71/29/394247129.db2.gz RQNAYYKPNCGFGZ-FXUDXRNXSA-N 1 3 250.430 3.028 20 0 CGADHO CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172772 542980824 /nfs/dbraw/zinc/98/08/24/542980824.db2.gz SWZRRPGXOLQPCV-MAUKXSAKSA-N 1 3 290.451 3.166 20 0 CGADHO CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000668172772 542980826 /nfs/dbraw/zinc/98/08/26/542980826.db2.gz SWZRRPGXOLQPCV-MAUKXSAKSA-N 1 3 290.451 3.166 20 0 CGADHO CC(C)COCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669688312 543118376 /nfs/dbraw/zinc/11/83/76/543118376.db2.gz NARFQSOJMRNNGP-UHFFFAOYSA-N 1 3 296.499 3.247 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264916 543146663 /nfs/dbraw/zinc/14/66/63/543146663.db2.gz RAUWGTDDRRZWNM-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264916 543146665 /nfs/dbraw/zinc/14/66/65/543146665.db2.gz RAUWGTDDRRZWNM-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(C)c(F)c1 ZINC000650719070 397901644 /nfs/dbraw/zinc/90/16/44/397901644.db2.gz BTXKPESRRQWEDG-UHFFFAOYSA-N 1 3 272.367 3.143 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cccc2c1CCC2 ZINC000650720332 397902097 /nfs/dbraw/zinc/90/20/97/397902097.db2.gz LSLVMSZDAYKKHL-UHFFFAOYSA-N 1 3 280.415 3.185 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc2ccsc21 ZINC000650740693 397904306 /nfs/dbraw/zinc/90/43/06/397904306.db2.gz OKGCWCPHDFUJEM-DOMZBBRYSA-N 1 3 274.433 3.379 20 0 CGADHO CC[C@@H](OCC[NH2+][C@H](C)[C@H]1CCCCN1)c1ccccc1 ZINC000650742177 397905087 /nfs/dbraw/zinc/90/50/87/397905087.db2.gz SINOBCWFLJOGTE-KBAYOESNSA-N 1 3 290.451 3.275 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422719614 296575733 /nfs/dbraw/zinc/57/57/33/296575733.db2.gz YZGUMJJVKOTSJN-CJNGLKHVSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000675783686 543364763 /nfs/dbraw/zinc/36/47/63/543364763.db2.gz PTADDZNTHUOHTG-OAGGEKHMSA-N 1 3 282.472 3.044 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000676901210 543423415 /nfs/dbraw/zinc/42/34/15/543423415.db2.gz UERQBKMQAPJJGC-XHSDSOJGSA-N 1 3 264.457 3.419 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000677475027 543450703 /nfs/dbraw/zinc/45/07/03/543450703.db2.gz KWKRYEGRGNLLAF-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000677475027 543450706 /nfs/dbraw/zinc/45/07/06/543450706.db2.gz KWKRYEGRGNLLAF-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000678184869 543492187 /nfs/dbraw/zinc/49/21/87/543492187.db2.gz UYOBJSDMBFWBPM-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1 ZINC000678184869 543492190 /nfs/dbraw/zinc/49/21/90/543492190.db2.gz UYOBJSDMBFWBPM-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278178 543509592 /nfs/dbraw/zinc/50/95/92/543509592.db2.gz NUEDWFLJNDVZBK-YOEHRIQHSA-N 1 3 272.436 3.479 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278178 543509595 /nfs/dbraw/zinc/50/95/95/543509595.db2.gz NUEDWFLJNDVZBK-YOEHRIQHSA-N 1 3 272.436 3.479 20 0 CGADHO CC[C@]1(C)CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678285513 543511126 /nfs/dbraw/zinc/51/11/26/543511126.db2.gz JYKIZCVKIMUZOT-GOSISDBHSA-N 1 3 290.451 3.249 20 0 CGADHO CC[C@]1(C)CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678285513 543511129 /nfs/dbraw/zinc/51/11/29/543511129.db2.gz JYKIZCVKIMUZOT-GOSISDBHSA-N 1 3 290.451 3.249 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c(C)n1 ZINC000678414250 543522741 /nfs/dbraw/zinc/52/27/41/543522741.db2.gz ROTYYEHLPKAFPF-HNNXBMFYSA-N 1 3 287.451 3.223 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC000678735731 543551648 /nfs/dbraw/zinc/55/16/48/543551648.db2.gz XORUWCCTEORSQQ-GDBMZVCRSA-N 1 3 276.424 3.220 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccccc1)c1ccccn1 ZINC000422762036 298392090 /nfs/dbraw/zinc/39/20/90/298392090.db2.gz NGCJKPMRGQTVLG-QAPCUYQASA-N 1 3 283.419 3.278 20 0 CGADHO COc1cccc([C@H](CNc2cc[nH+]cc2C)N(C)C)c1 ZINC000070489409 165062222 /nfs/dbraw/zinc/06/22/22/165062222.db2.gz GJHUVPNJXLUCOF-KRWDZBQOSA-N 1 3 285.391 3.113 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCc2ccnc3ccccc23)C1 ZINC000111763629 287137000 /nfs/dbraw/zinc/13/70/00/287137000.db2.gz OZWVZDMFOUNTFJ-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCc2ccnc3ccccc23)C1 ZINC000111763629 287137003 /nfs/dbraw/zinc/13/70/03/287137003.db2.gz OZWVZDMFOUNTFJ-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763629 287137007 /nfs/dbraw/zinc/13/70/07/287137007.db2.gz OZWVZDMFOUNTFJ-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCC(F)(F)C1 ZINC000422994147 298893280 /nfs/dbraw/zinc/89/32/80/298893280.db2.gz UQQMSVWKEOUDTD-MGPQQGTHSA-N 1 3 274.399 3.465 20 0 CGADHO C[NH+]1CCC(CNCc2cccc(Cl)c2Cl)CC1 ZINC000044515183 175189828 /nfs/dbraw/zinc/18/98/28/175189828.db2.gz BALFHLWQDWOKBE-UHFFFAOYSA-N 1 3 287.234 3.425 20 0 CGADHO C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000312756731 416533567 /nfs/dbraw/zinc/53/35/67/416533567.db2.gz XWCWEUSCOTXYRY-NJAFHUGGSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@H](CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000312756731 416533571 /nfs/dbraw/zinc/53/35/71/416533571.db2.gz XWCWEUSCOTXYRY-NJAFHUGGSA-N 1 3 272.436 3.241 20 0 CGADHO CSc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404343490 416551350 /nfs/dbraw/zinc/55/13/50/416551350.db2.gz GAFHRGNKGSFILH-XJKSGUPXSA-N 1 3 278.465 3.358 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@H](C)[C@@H]3CC[NH3+])ccc2n1 ZINC000404329497 416552241 /nfs/dbraw/zinc/55/22/41/416552241.db2.gz YBTOOVFMZXTBDF-LIRRHRJNSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCC[C@H](C)[C@@H]3CCN)ccc2n1 ZINC000404329497 416552245 /nfs/dbraw/zinc/55/22/45/416552245.db2.gz YBTOOVFMZXTBDF-LIRRHRJNSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCC[C@H](C)[C@@H]3CCN)ccc2n1 ZINC000404329497 416552248 /nfs/dbraw/zinc/55/22/48/416552248.db2.gz YBTOOVFMZXTBDF-LIRRHRJNSA-N 1 3 297.446 3.493 20 0 CGADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000130252986 287349519 /nfs/dbraw/zinc/34/95/19/287349519.db2.gz YXOKYHCBHWKZMW-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)OCCNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000680485429 543714345 /nfs/dbraw/zinc/71/43/45/543714345.db2.gz HJISGJSFXPDFHJ-UHFFFAOYSA-N 1 3 292.467 3.159 20 0 CGADHO CC(C)OCCNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000680485429 543714347 /nfs/dbraw/zinc/71/43/47/543714347.db2.gz HJISGJSFXPDFHJ-UHFFFAOYSA-N 1 3 292.467 3.159 20 0 CGADHO CCCC[C@H](COC)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000130649101 287360249 /nfs/dbraw/zinc/36/02/49/287360249.db2.gz CTPVZATYYPBWEH-QGZVFWFLSA-N 1 3 278.440 3.043 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000131204016 287373415 /nfs/dbraw/zinc/37/34/15/287373415.db2.gz ZBEXDIGWHHGREZ-HNNXBMFYSA-N 1 3 292.442 3.467 20 0 CGADHO FC(F)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000131358930 287377152 /nfs/dbraw/zinc/37/71/52/287377152.db2.gz XUJVQQYFJROSJB-ZDUSSCGKSA-N 1 3 280.362 3.198 20 0 CGADHO C[C@@H]1CC[C@H](CN2CCC(C[NH+]3CCCCCC3)CC2)O1 ZINC000682755277 543864740 /nfs/dbraw/zinc/86/47/40/543864740.db2.gz FBDWJVZZCBRSHA-SJLPKXTDSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684932529 544041352 /nfs/dbraw/zinc/04/13/52/544041352.db2.gz ZSIFESWLVRPNCR-WBVHZDCISA-N 1 3 290.451 3.153 20 0 CGADHO FC(F)OCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000367178356 227064762 /nfs/dbraw/zinc/06/47/62/227064762.db2.gz IMPLPXPJQOBFAL-UHFFFAOYSA-N 1 3 290.398 3.002 20 0 CGADHO FC(F)OCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000367178356 227064766 /nfs/dbraw/zinc/06/47/66/227064766.db2.gz IMPLPXPJQOBFAL-UHFFFAOYSA-N 1 3 290.398 3.002 20 0 CGADHO CC1(C)[C@H](NCC2([NH3+])CCCC2)C[C@@H]1c1ccccc1 ZINC000665247489 419090895 /nfs/dbraw/zinc/09/08/95/419090895.db2.gz CWTVAAQOQKCUTK-HZPDHXFCSA-N 1 3 272.436 3.430 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665249220 419091842 /nfs/dbraw/zinc/09/18/42/419091842.db2.gz LMGBBQXXKBJTCO-XJKSGUPXSA-N 1 3 258.409 3.486 20 0 CGADHO C[C@@H](CC1CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254796 419093771 /nfs/dbraw/zinc/09/37/71/419093771.db2.gz ZXXIXLQWLVOVLZ-JCURWCKSSA-N 1 3 276.399 3.049 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)CC1CCC1 ZINC000665267611 419096500 /nfs/dbraw/zinc/09/65/00/419096500.db2.gz ZNJNKGNTGWZBOK-ZACQAIPSSA-N 1 3 264.457 3.467 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000665274510 419097814 /nfs/dbraw/zinc/09/78/14/419097814.db2.gz RYMYOAUIIKOHPA-ICBNADEASA-N 1 3 284.447 3.443 20 0 CGADHO CC[C@@H](NC1CCC2(CC2(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000665274358 419098600 /nfs/dbraw/zinc/09/86/00/419098600.db2.gz OUSVXXAJKDLIBG-DKNRTOFZSA-N 1 3 272.383 3.075 20 0 CGADHO CC[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)[C@@H]1CCCN1 ZINC000665274358 419098604 /nfs/dbraw/zinc/09/86/04/419098604.db2.gz OUSVXXAJKDLIBG-DKNRTOFZSA-N 1 3 272.383 3.075 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665271339 419098884 /nfs/dbraw/zinc/09/88/84/419098884.db2.gz LDLKLKSHDCHKHW-OKYOBFRVSA-N 1 3 299.462 3.157 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CCc1ccc(F)cc1F ZINC000665282268 419102580 /nfs/dbraw/zinc/10/25/80/419102580.db2.gz UPWQGYSDIZQKRE-MLGOLLRUSA-N 1 3 284.394 3.249 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000665282268 419102582 /nfs/dbraw/zinc/10/25/82/419102582.db2.gz UPWQGYSDIZQKRE-MLGOLLRUSA-N 1 3 284.394 3.249 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1 ZINC000665299251 419110343 /nfs/dbraw/zinc/11/03/43/419110343.db2.gz JISZWEYGWXVPKE-LESCRADOSA-N 1 3 272.436 3.071 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195702 419148576 /nfs/dbraw/zinc/14/85/76/419148576.db2.gz CWGDMPKZQREROS-HUUCEWRRSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)C1 ZINC000656195702 419148577 /nfs/dbraw/zinc/14/85/77/419148577.db2.gz CWGDMPKZQREROS-HUUCEWRRSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000656196896 419148589 /nfs/dbraw/zinc/14/85/89/419148589.db2.gz SJIQUJIGFBVOGT-ZIAGYGMSSA-N 1 3 291.826 3.223 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccccc3F)CCC2)C1 ZINC000656200441 419149364 /nfs/dbraw/zinc/14/93/64/419149364.db2.gz PTPDJJPLYUKIME-ZIAGYGMSSA-N 1 3 276.399 3.107 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3F)CCC2)C1 ZINC000656200441 419149367 /nfs/dbraw/zinc/14/93/67/419149367.db2.gz PTPDJJPLYUKIME-ZIAGYGMSSA-N 1 3 276.399 3.107 20 0 CGADHO C[C@H](C[NH2+]Cc1cc2ccncc2s1)CN1CCCC1 ZINC000657319150 419249322 /nfs/dbraw/zinc/24/93/22/419249322.db2.gz TWBPAZNGUUKXDI-CYBMUJFWSA-N 1 3 289.448 3.118 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cc(COC)cs2)CC1 ZINC000657336084 419253540 /nfs/dbraw/zinc/25/35/40/419253540.db2.gz OZUYKCUZXSJKFF-UHFFFAOYSA-N 1 3 296.480 3.249 20 0 CGADHO COCc1csc(C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000657348357 419257005 /nfs/dbraw/zinc/25/70/05/419257005.db2.gz SSHIKWHBYRGYSO-CQSZACIVSA-N 1 3 296.480 3.105 20 0 CGADHO NC1(C[NH2+]Cc2ccc3ccccc3c2)CCCC1 ZINC000656788378 419220066 /nfs/dbraw/zinc/22/00/66/419220066.db2.gz LZQHKUQNTVUJOS-UHFFFAOYSA-N 1 3 254.377 3.201 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@H]2c2ccccc2)CCCC1 ZINC000656789617 419220892 /nfs/dbraw/zinc/22/08/92/419220892.db2.gz SVMYXEAHVBGRIT-HOTGVXAUSA-N 1 3 258.409 3.184 20 0 CGADHO CC[C@@](C)([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000657689510 419328601 /nfs/dbraw/zinc/32/86/01/419328601.db2.gz PUNUHVJMBXZYGC-GOSISDBHSA-N 1 3 290.451 3.295 20 0 CGADHO CCc1nc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662314794 419389552 /nfs/dbraw/zinc/38/95/52/419389552.db2.gz QFPWONDHVBJPCD-TZMCWYRMSA-N 1 3 281.469 3.045 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000657870777 419396710 /nfs/dbraw/zinc/39/67/10/419396710.db2.gz FXUBLEXWEVWMGV-CHWSQXEVSA-N 1 3 276.415 3.376 20 0 CGADHO Fc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000657812565 419363345 /nfs/dbraw/zinc/36/33/45/419363345.db2.gz SOBVBPRRLJOBIG-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO CN(CC[C@H]1CCc2ccccc21)CC(C)(C)C[NH3+] ZINC000662248085 419373441 /nfs/dbraw/zinc/37/34/41/419373441.db2.gz SMZWBAUEQHNVPQ-OAHLLOKOSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)C(C)(C)C(F)F ZINC000657825049 419374494 /nfs/dbraw/zinc/37/44/94/419374494.db2.gz VKOALZAZNFKPOP-CYBMUJFWSA-N 1 3 276.415 3.378 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657830307 419376107 /nfs/dbraw/zinc/37/61/07/419376107.db2.gz HROCVXSZOJLVSE-QLFBSQMISA-N 1 3 252.446 3.131 20 0 CGADHO COC1([C@H](C)NCCC[N@H+](C)C2CCCCC2)CCC1 ZINC000657830157 419376849 /nfs/dbraw/zinc/37/68/49/419376849.db2.gz MHWVAVHEQULVEB-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@H](C)NCCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000657830157 419376854 /nfs/dbraw/zinc/37/68/54/419376854.db2.gz MHWVAVHEQULVEB-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833118 419379202 /nfs/dbraw/zinc/37/92/02/419379202.db2.gz DVQNXYAPTUBPGR-NWDGAFQWSA-N 1 3 295.377 3.154 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277265 419382546 /nfs/dbraw/zinc/38/25/46/419382546.db2.gz OJWCNSFFQLABQJ-MJGOQNOKSA-N 1 3 284.447 3.182 20 0 CGADHO CCOC1CCC([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000657932606 419449126 /nfs/dbraw/zinc/44/91/26/419449126.db2.gz WKLSTYSXJJTBJC-AOCRQIFASA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000658036850 419515016 /nfs/dbraw/zinc/51/50/16/419515016.db2.gz ZCBVANWKYNJBCO-KGLIPLIRSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036850 419515022 /nfs/dbraw/zinc/51/50/22/419515022.db2.gz ZCBVANWKYNJBCO-KGLIPLIRSA-N 1 3 287.407 3.210 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCCC1 ZINC000663466006 419615032 /nfs/dbraw/zinc/61/50/32/419615032.db2.gz MZHGCGHRPNMXDU-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@H](C)NC[C@H]2CCC[N@H+](CC3CC3)C2)CCCC1 ZINC000663466006 419615040 /nfs/dbraw/zinc/61/50/40/419615040.db2.gz MZHGCGHRPNMXDU-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@H](C)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466006 419615048 /nfs/dbraw/zinc/61/50/48/419615048.db2.gz MZHGCGHRPNMXDU-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467590 419619168 /nfs/dbraw/zinc/61/91/68/419619168.db2.gz GURDRTIXGFJTOB-VQIMIIECSA-N 1 3 284.447 3.386 20 0 CGADHO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(OCCN(C)C)cc1 ZINC000658192250 419651844 /nfs/dbraw/zinc/65/18/44/419651844.db2.gz CZRDYHZNJXMUSG-CQSZACIVSA-N 1 3 296.430 3.416 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCc3ccoc3)CC2)C1 ZINC000658201631 419655097 /nfs/dbraw/zinc/65/50/97/419655097.db2.gz SAHGISQQZBRTGN-YJBOKZPZSA-N 1 3 290.451 3.455 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000021011209 262373411 /nfs/dbraw/zinc/37/34/11/262373411.db2.gz WTRLCNUPQQVUCK-MRXNPFEDSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534296 270036640 /nfs/dbraw/zinc/03/66/40/270036640.db2.gz QUHAYZKDGFIYND-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534296 270036641 /nfs/dbraw/zinc/03/66/41/270036641.db2.gz QUHAYZKDGFIYND-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CC(C)Cc1ccccc1CNC1CC[NH+](C)CC1 ZINC000527732858 270132866 /nfs/dbraw/zinc/13/28/66/270132866.db2.gz MXOJRAVRPWHXKI-UHFFFAOYSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]([NH2+]CC1CC=CC1)c1ccc(OCCN(C)C)cc1 ZINC000527947055 270146125 /nfs/dbraw/zinc/14/61/25/270146125.db2.gz WKHCCLXXCXDPRX-HNNXBMFYSA-N 1 3 288.435 3.244 20 0 CGADHO C/C(Cl)=C/CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000528370617 270162604 /nfs/dbraw/zinc/16/26/04/270162604.db2.gz GRJIASZHKCKFNJ-ACAGNQJTSA-N 1 3 258.837 3.181 20 0 CGADHO C/C(Cl)=C/CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000528370617 270162605 /nfs/dbraw/zinc/16/26/05/270162605.db2.gz GRJIASZHKCKFNJ-ACAGNQJTSA-N 1 3 258.837 3.181 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528397540 270164055 /nfs/dbraw/zinc/16/40/55/270164055.db2.gz DCUGRSXLMFIWKE-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528397540 270164056 /nfs/dbraw/zinc/16/40/56/270164056.db2.gz DCUGRSXLMFIWKE-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528397540 270164057 /nfs/dbraw/zinc/16/40/57/270164057.db2.gz DCUGRSXLMFIWKE-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528397540 270164058 /nfs/dbraw/zinc/16/40/58/270164058.db2.gz DCUGRSXLMFIWKE-CQSZACIVSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528398593 270164063 /nfs/dbraw/zinc/16/40/63/270164063.db2.gz XMILGLJTOGDJCI-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528398593 270164064 /nfs/dbraw/zinc/16/40/64/270164064.db2.gz XMILGLJTOGDJCI-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528398593 270164065 /nfs/dbraw/zinc/16/40/65/270164065.db2.gz XMILGLJTOGDJCI-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000529566765 270185365 /nfs/dbraw/zinc/18/53/65/270185365.db2.gz GLWHEQMABODKHF-GOSISDBHSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000529566765 270185366 /nfs/dbraw/zinc/18/53/66/270185366.db2.gz GLWHEQMABODKHF-GOSISDBHSA-N 1 3 297.446 3.332 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000530216669 270195753 /nfs/dbraw/zinc/19/57/53/270195753.db2.gz BPQOTUAUBKCQPF-RYUDHWBXSA-N 1 3 262.388 3.036 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000531692103 270209038 /nfs/dbraw/zinc/20/90/38/270209038.db2.gz KWEIKUOAYBNAQC-INMHGKMJSA-N 1 3 266.473 3.379 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000532521821 270216854 /nfs/dbraw/zinc/21/68/54/270216854.db2.gz UIZPBILLNXNOHC-GOEBONIOSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)CCN1 ZINC000423374071 274392900 /nfs/dbraw/zinc/39/29/00/274392900.db2.gz HPMAVKFODFCCLE-BFQNTYOBSA-N 1 3 278.827 3.448 20 0 CGADHO c1ccc2c(c1)CCC([NH2+][C@H]1CCN3CCC[C@@H]3C1)CC2 ZINC000449593441 275069452 /nfs/dbraw/zinc/06/94/52/275069452.db2.gz PETWNJZVDPUOCT-RBUKOAKNSA-N 1 3 284.447 3.150 20 0 CGADHO C(=C/C[N@@H+]1CC2CCC1CC2)\CN1CC2CCC1CC2 ZINC000371393929 275389096 /nfs/dbraw/zinc/38/90/96/275389096.db2.gz VBDXNYUSWRASGC-OWOJBTEDSA-N 1 3 274.452 3.291 20 0 CGADHO C(=C/C[N@H+]1CC2CCC1CC2)\CN1CC2CCC1CC2 ZINC000371393929 275389097 /nfs/dbraw/zinc/38/90/97/275389097.db2.gz VBDXNYUSWRASGC-OWOJBTEDSA-N 1 3 274.452 3.291 20 0 CGADHO c1ccc(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250811855 287830235 /nfs/dbraw/zinc/83/02/35/287830235.db2.gz LSZCEPFFVDTZJJ-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO CC(F)(F)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423132645 275800462 /nfs/dbraw/zinc/80/04/62/275800462.db2.gz JPPQXEIAHQQOAO-TZMCWYRMSA-N 1 3 268.351 3.015 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414941251 276042098 /nfs/dbraw/zinc/04/20/98/276042098.db2.gz LHGDPQDGHVLLCU-CGTJXYLNSA-N 1 3 274.452 3.376 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000038097981 276152162 /nfs/dbraw/zinc/15/21/62/276152162.db2.gz QLWHVWSUQDHLNC-SFHVURJKSA-N 1 3 288.435 3.147 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422774578 276205704 /nfs/dbraw/zinc/20/57/04/276205704.db2.gz XNLKAAPHVWHPLN-BFHKSVSOSA-N 1 3 296.499 3.323 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@H]2C)C12CCC2 ZINC000250488653 276344554 /nfs/dbraw/zinc/34/45/54/276344554.db2.gz HPVBCDSJWYEWFU-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000250488653 276344555 /nfs/dbraw/zinc/34/45/55/276344555.db2.gz HPVBCDSJWYEWFU-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@H]2C)C12CCC2 ZINC000250488653 276344556 /nfs/dbraw/zinc/34/45/56/276344556.db2.gz HPVBCDSJWYEWFU-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCC(C)CC2)C12CCC2 ZINC000087709143 276351820 /nfs/dbraw/zinc/35/18/20/276351820.db2.gz ZFZDPYCLYWTUHW-DLBZAZTESA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000087709143 276351821 /nfs/dbraw/zinc/35/18/21/276351821.db2.gz ZFZDPYCLYWTUHW-DLBZAZTESA-N 1 3 294.483 3.046 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290382729 277023642 /nfs/dbraw/zinc/02/36/42/277023642.db2.gz RUTZNRFDYGZYDA-SFHVURJKSA-N 1 3 295.430 3.397 20 0 CGADHO CN1CCC[C@]2(CC[N@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177413 277086359 /nfs/dbraw/zinc/08/63/59/277086359.db2.gz PZAWVDLLBZKOQV-VEXQSBSHSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@]2(CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)C1 ZINC000354177413 277086361 /nfs/dbraw/zinc/08/63/61/277086361.db2.gz PZAWVDLLBZKOQV-VEXQSBSHSA-N 1 3 288.410 3.257 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000422843053 277267419 /nfs/dbraw/zinc/26/74/19/277267419.db2.gz GUMAYFVKMWAGLH-NVXWUHKLSA-N 1 3 274.452 3.244 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000090586517 277397083 /nfs/dbraw/zinc/39/70/83/277397083.db2.gz QLBIHZHYBVGSIX-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](NC1CCC([NH3+])CC1)c1c(F)cccc1Cl ZINC000261592918 277614888 /nfs/dbraw/zinc/61/48/88/277614888.db2.gz YVTIOYDJTQBHJD-KPPDAEKUSA-N 1 3 270.779 3.400 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[NH2+]CC[C@H]1C ZINC000422777696 277949529 /nfs/dbraw/zinc/94/95/29/277949529.db2.gz GDCXIWHJQOGDPU-BVGQSLNGSA-N 1 3 288.435 3.050 20 0 CGADHO CC(C)[C@H]1C[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000422987808 277965383 /nfs/dbraw/zinc/96/53/83/277965383.db2.gz JGJNBMXUVWBKKJ-YYIAUSFCSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@@H]1C[C@H](NC2(c3ccccc3)CCC2)CC[N@@H+]1C ZINC000180348518 278024624 /nfs/dbraw/zinc/02/46/24/278024624.db2.gz IHEQJECPHUVVMH-GDBMZVCRSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@@H]1C[C@H](NC2(c3ccccc3)CCC2)CC[N@H+]1C ZINC000180348518 278024625 /nfs/dbraw/zinc/02/46/25/278024625.db2.gz IHEQJECPHUVVMH-GDBMZVCRSA-N 1 3 258.409 3.138 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000395421721 288008913 /nfs/dbraw/zinc/00/89/13/288008913.db2.gz GNZXGWWUVQVQBE-RHSMWYFYSA-N 1 3 273.424 3.075 20 0 CGADHO CS[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000235211852 278145504 /nfs/dbraw/zinc/14/55/04/278145504.db2.gz UWBIENHBDPPFDP-UAXWRAGISA-N 1 3 276.449 3.395 20 0 CGADHO CC(CN1CCC2(CCC2)C1)C[N@@H+]1CCC2(CCC2)C1 ZINC000176943938 278155913 /nfs/dbraw/zinc/15/59/13/278155913.db2.gz KIGVVESKNXIMHO-UHFFFAOYSA-N 1 3 276.468 3.375 20 0 CGADHO CC(CN1CCC2(CCC2)C1)C[N@H+]1CCC2(CCC2)C1 ZINC000176943938 278155914 /nfs/dbraw/zinc/15/59/14/278155914.db2.gz KIGVVESKNXIMHO-UHFFFAOYSA-N 1 3 276.468 3.375 20 0 CGADHO CC(CCN1CC[C@@](C)(F)C1)CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000411416218 278155973 /nfs/dbraw/zinc/15/59/73/278155973.db2.gz CPBTXRREEDSKQO-HZPDHXFCSA-N 1 3 288.426 3.271 20 0 CGADHO CC(CCN1CC[C@@](C)(F)C1)CC[N@H+]1CC[C@@](C)(F)C1 ZINC000411416218 278155974 /nfs/dbraw/zinc/15/59/74/278155974.db2.gz CPBTXRREEDSKQO-HZPDHXFCSA-N 1 3 288.426 3.271 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423303995 278245500 /nfs/dbraw/zinc/24/55/00/278245500.db2.gz XXPOCENFCASZGR-ISVAXAHUSA-N 1 3 273.207 3.165 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422815081 278264243 /nfs/dbraw/zinc/26/42/43/278264243.db2.gz ASUWNAIDGOBKOU-QNWHQSFQSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCCN1 ZINC000422815081 278264245 /nfs/dbraw/zinc/26/42/45/278264245.db2.gz ASUWNAIDGOBKOU-QNWHQSFQSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCOC1 ZINC000358645806 278336325 /nfs/dbraw/zinc/33/63/25/278336325.db2.gz COKKQDMSQLQBCV-KONPQCLYSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000245632711 278344048 /nfs/dbraw/zinc/34/40/48/278344048.db2.gz VSOHGPYEPZLRHX-BRWVUGGUSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000261578984 278511699 /nfs/dbraw/zinc/51/16/99/278511699.db2.gz PHHRTSMIRWTPSB-KFWWJZLASA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220354 278611022 /nfs/dbraw/zinc/61/10/22/278611022.db2.gz YEYPDKZPKPPQLD-KEYYUXOJSA-N 1 3 258.409 3.214 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000423408282 288070518 /nfs/dbraw/zinc/07/05/18/288070518.db2.gz XEMGOKKWVNXIED-TUKIKUTGSA-N 1 3 298.377 3.327 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2ccccc21 ZINC000036908193 288107175 /nfs/dbraw/zinc/10/71/75/288107175.db2.gz MDDHMGGSIYYYCE-DTTOXWODSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCCc2ccccc21 ZINC000036908193 288107176 /nfs/dbraw/zinc/10/71/76/288107176.db2.gz MDDHMGGSIYYYCE-DTTOXWODSA-N 1 3 272.436 3.382 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000336846526 279138925 /nfs/dbraw/zinc/13/89/25/279138925.db2.gz AQXAZDRZYKYWEM-MAUKXSAKSA-N 1 3 290.451 3.186 20 0 CGADHO CCN(Cc1cc(C)c(OC)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000414709110 279233874 /nfs/dbraw/zinc/23/38/74/279233874.db2.gz DTKVUTJKQSNPIM-KRWDZBQOSA-N 1 3 290.451 3.276 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCCc2ccccc21)CN(C)C ZINC000311834564 279352481 /nfs/dbraw/zinc/35/24/81/279352481.db2.gz POQSJWLHTOKTOR-PBHICJAKSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@H](CN[C@H]1CCCCc2ccccc21)C[NH+](C)C ZINC000311834564 279352482 /nfs/dbraw/zinc/35/24/82/279352482.db2.gz POQSJWLHTOKTOR-PBHICJAKSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775956 279370371 /nfs/dbraw/zinc/37/03/71/279370371.db2.gz CRMAWECRQSYSHF-BFHYXJOUSA-N 1 3 295.858 3.024 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251006685 279378816 /nfs/dbraw/zinc/37/88/16/279378816.db2.gz RYSGSTDNTHPRIG-INWMFGNUSA-N 1 3 280.843 3.378 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168925 288133830 /nfs/dbraw/zinc/13/38/30/288133830.db2.gz UTCBYNDHNVWCIS-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168925 288133832 /nfs/dbraw/zinc/13/38/32/288133832.db2.gz UTCBYNDHNVWCIS-NVXWUHKLSA-N 1 3 284.403 3.349 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252851774 288153597 /nfs/dbraw/zinc/15/35/97/288153597.db2.gz IETSKLZXCFPPBD-QSPRXWTASA-N 1 3 276.399 3.336 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423202332 280031541 /nfs/dbraw/zinc/03/15/41/280031541.db2.gz ARNYOQPJGUJELE-JLSDUUJJSA-N 1 3 272.436 3.460 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCNC1CC1 ZINC000415070241 280158369 /nfs/dbraw/zinc/15/83/69/280158369.db2.gz QEZKTFMNJLZBLX-INIZCTEOSA-N 1 3 260.425 3.048 20 0 CGADHO CC(C)[C@H](CN1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427099260 280239109 /nfs/dbraw/zinc/23/91/09/280239109.db2.gz GXJOCIQKHXLOGO-FGTMMUONSA-N 1 3 272.436 3.110 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000443057667 281018160 /nfs/dbraw/zinc/01/81/60/281018160.db2.gz HRFNLPXYQSZLLR-MLGOLLRUSA-N 1 3 282.378 3.477 20 0 CGADHO COCCC1CCN([C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000530207230 288299788 /nfs/dbraw/zinc/29/97/88/288299788.db2.gz CLKVKGHYSBIIKV-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530210354 288299962 /nfs/dbraw/zinc/29/99/62/288299962.db2.gz JZKKUHBMKRDRMB-RDJZCZTQSA-N 1 3 264.457 3.310 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000530209401 288300025 /nfs/dbraw/zinc/30/00/25/288300025.db2.gz HDTRBOLQDWWWGH-LSDHHAIUSA-N 1 3 250.430 3.062 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCNC12CCC2 ZINC000530176948 288294824 /nfs/dbraw/zinc/29/48/24/288294824.db2.gz FFNLBQGVFZPJCC-RDJZCZTQSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423407407 288324916 /nfs/dbraw/zinc/32/49/16/288324916.db2.gz VTBYCOKGSPCNDZ-HFBAOOFYSA-N 1 3 278.827 3.305 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423361658 288325030 /nfs/dbraw/zinc/32/50/30/288325030.db2.gz AKWQMMAHLYLBSP-GDBMZVCRSA-N 1 3 264.457 3.467 20 0 CGADHO CCc1[nH+]c2ccccc2c(N(C)CCN(C)C)c1C ZINC000548812816 289024165 /nfs/dbraw/zinc/02/41/65/289024165.db2.gz HPXHEANGUKSJJK-UHFFFAOYSA-N 1 3 271.408 3.103 20 0 CGADHO CCc1nc2ccccc2c(N(C)CC[NH+](C)C)c1C ZINC000548812816 289024167 /nfs/dbraw/zinc/02/41/67/289024167.db2.gz HPXHEANGUKSJJK-UHFFFAOYSA-N 1 3 271.408 3.103 20 0 CGADHO CCC[N@H+](CCCN(CC)CC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000548918427 289028919 /nfs/dbraw/zinc/02/89/19/289028919.db2.gz RIKVWKZCRWOAOI-ZACQAIPSSA-N 1 3 296.499 3.244 20 0 CGADHO CCC[N@@H+](CCCN(CC)CC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000548918427 289028922 /nfs/dbraw/zinc/02/89/22/289028922.db2.gz RIKVWKZCRWOAOI-ZACQAIPSSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@@H]1[C@H]([NH2+]C[C@@]2(C)CCCNC2)C[C@H]1c1ccccc1 ZINC000414899062 289059635 /nfs/dbraw/zinc/05/96/35/289059635.db2.gz CDFVMIUGFQCHNX-HPBDAGMYSA-N 1 3 272.436 3.158 20 0 CGADHO CC1=CC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000552096425 289161974 /nfs/dbraw/zinc/16/19/74/289161974.db2.gz WVRXDIJBOMYXLE-KRWDZBQOSA-N 1 3 288.435 3.215 20 0 CGADHO CN(C)CCOCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000447595927 289170184 /nfs/dbraw/zinc/17/01/84/289170184.db2.gz OXSLAXQIBJECFU-SFHVURJKSA-N 1 3 290.451 3.086 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000552900950 289201872 /nfs/dbraw/zinc/20/18/72/289201872.db2.gz HUHLKOBQLFBACT-GVDBMIGSSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000552900950 289201875 /nfs/dbraw/zinc/20/18/75/289201875.db2.gz HUHLKOBQLFBACT-GVDBMIGSSA-N 1 3 290.451 3.001 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422850608 289773160 /nfs/dbraw/zinc/77/31/60/289773160.db2.gz NUOLQEBJWNZAOP-BJDJZHNGSA-N 1 3 266.351 3.071 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000093977922 290053689 /nfs/dbraw/zinc/05/36/89/290053689.db2.gz SLXCHFGPCNHDJT-CWRNSKLLSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261701382 290224718 /nfs/dbraw/zinc/22/47/18/290224718.db2.gz ILVCRJZBHSOYKE-RISCZKNCSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261701382 290224721 /nfs/dbraw/zinc/22/47/21/290224721.db2.gz ILVCRJZBHSOYKE-RISCZKNCSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](C)(CN)C1 ZINC000261701382 290224723 /nfs/dbraw/zinc/22/47/23/290224723.db2.gz ILVCRJZBHSOYKE-RISCZKNCSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261688735 290244128 /nfs/dbraw/zinc/24/41/28/290244128.db2.gz NDNWVMHIGJWROP-NIKGAXFTSA-N 1 3 280.415 3.442 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000070169456 295240447 /nfs/dbraw/zinc/24/04/47/295240447.db2.gz KYIAQVOLAXVCPG-GFCCVEGCSA-N 1 3 297.240 3.010 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2)CCCCC1 ZINC000422756282 295336794 /nfs/dbraw/zinc/33/67/94/295336794.db2.gz HQCLEJAYXRUWEA-IRXDYDNUSA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccccc2)CCCCC1 ZINC000517730880 295336748 /nfs/dbraw/zinc/33/67/48/295336748.db2.gz FSKHKKIAZWLBGI-IRXDYDNUSA-N 1 3 272.436 3.358 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422900845 302094492 /nfs/dbraw/zinc/09/44/92/302094492.db2.gz KAGAWKLPQDJSQA-NVXWUHKLSA-N 1 3 272.436 3.004 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422900845 302094495 /nfs/dbraw/zinc/09/44/95/302094495.db2.gz KAGAWKLPQDJSQA-NVXWUHKLSA-N 1 3 272.436 3.004 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)NC1CC[NH2+]CC1 ZINC000415113803 302124896 /nfs/dbraw/zinc/12/48/96/302124896.db2.gz SOTIZKNCBBYGIH-QGZVFWFLSA-N 1 3 260.425 3.424 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C1CCNCC1 ZINC000415113803 302124898 /nfs/dbraw/zinc/12/48/98/302124898.db2.gz SOTIZKNCBBYGIH-QGZVFWFLSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000152196785 321695361 /nfs/dbraw/zinc/69/53/61/321695361.db2.gz KTDFLQUCZZCSKK-DZKIICNBSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccccc1C[C@@H](C)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000564097916 322020401 /nfs/dbraw/zinc/02/04/01/322020401.db2.gz FSBFDBXJNTZKHH-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccccc1C[C@@H](C)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000564097916 322020404 /nfs/dbraw/zinc/02/04/04/322020404.db2.gz FSBFDBXJNTZKHH-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO CC(C)CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000564974798 322052242 /nfs/dbraw/zinc/05/22/42/322052242.db2.gz SNACCCNUVALFFC-INIZCTEOSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000565226572 322067934 /nfs/dbraw/zinc/06/79/34/322067934.db2.gz OGIIIOUUJNFWOD-GJZGRUSLSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565226572 322067936 /nfs/dbraw/zinc/06/79/36/322067936.db2.gz OGIIIOUUJNFWOD-GJZGRUSLSA-N 1 3 260.425 3.132 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@@H]3CCC[C@@H](N)C3)c[nH]c21 ZINC000565227272 322068432 /nfs/dbraw/zinc/06/84/32/322068432.db2.gz XGMNQDIBPXMNNA-HZPDHXFCSA-N 1 3 285.435 3.132 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000565608671 322083911 /nfs/dbraw/zinc/08/39/11/322083911.db2.gz IPFZHLVKPCYWTP-ZIAGYGMSSA-N 1 3 274.433 3.303 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2csc3ccccc23)C1 ZINC000565608671 322083913 /nfs/dbraw/zinc/08/39/13/322083913.db2.gz IPFZHLVKPCYWTP-ZIAGYGMSSA-N 1 3 274.433 3.303 20 0 CGADHO C[C@H](N(C)C[C@@H](C[NH3+])c1ccc(F)cc1)C(C)(C)C ZINC000565827929 322092891 /nfs/dbraw/zinc/09/28/91/322092891.db2.gz GKPZJRAJKFHLAY-GXTWGEPZSA-N 1 3 266.404 3.234 20 0 CGADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1nccn1-c1ccccc1 ZINC000566088800 322103826 /nfs/dbraw/zinc/10/38/26/322103826.db2.gz ORSAGQUKSXXQML-QQFBHYJXSA-N 1 3 298.434 3.040 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000566748475 322137277 /nfs/dbraw/zinc/13/72/77/322137277.db2.gz KUJJVAVGYFDDGG-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCc1cccs1 ZINC000567462530 322163997 /nfs/dbraw/zinc/16/39/97/322163997.db2.gz JPKOGTNEOFYARR-GFCCVEGCSA-N 1 3 289.448 3.194 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000568248571 322200664 /nfs/dbraw/zinc/20/06/64/322200664.db2.gz VAZPZBYBFIFFST-QEJZJMRPSA-N 1 3 292.423 3.014 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000568531330 322213292 /nfs/dbraw/zinc/21/32/92/322213292.db2.gz ARUZTKYPUOYXNU-CKUJCDMFSA-N 1 3 252.446 3.308 20 0 CGADHO CC(C)[NH+]1CCC(NCC(C)(C)C(F)(F)F)CC1 ZINC000568536116 322213533 /nfs/dbraw/zinc/21/35/33/322213533.db2.gz RLQNKGZLTZORFV-UHFFFAOYSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)Oc1cccc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000568984215 322229891 /nfs/dbraw/zinc/22/98/91/322229891.db2.gz QZPMABSJUHXPSM-UHFFFAOYSA-N 1 3 284.403 3.222 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCNC1 ZINC000569106398 322235185 /nfs/dbraw/zinc/23/51/85/322235185.db2.gz XXSMNWWMQOUWBV-NRSFXHEJSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000570507871 322274968 /nfs/dbraw/zinc/27/49/68/322274968.db2.gz KDCKXIBUEPFKQA-RDJZCZTQSA-N 1 3 275.440 3.086 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000570507871 322274969 /nfs/dbraw/zinc/27/49/69/322274969.db2.gz KDCKXIBUEPFKQA-RDJZCZTQSA-N 1 3 275.440 3.086 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)CN(C)C ZINC000571115437 322290290 /nfs/dbraw/zinc/29/02/90/322290290.db2.gz BAYHGEGXBFSMPA-XHDPSFHLSA-N 1 3 266.816 3.115 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671754 322399922 /nfs/dbraw/zinc/39/99/22/322399922.db2.gz DCVYSTQFJWVYDB-ZIAGYGMSSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671754 322399924 /nfs/dbraw/zinc/39/99/24/322399924.db2.gz DCVYSTQFJWVYDB-ZIAGYGMSSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671754 322399925 /nfs/dbraw/zinc/39/99/25/322399925.db2.gz DCVYSTQFJWVYDB-ZIAGYGMSSA-N 1 3 296.405 3.388 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000582501863 329098214 /nfs/dbraw/zinc/09/82/14/329098214.db2.gz SPDHEEUXCXOZSS-OAHLLOKOSA-N 1 3 254.462 3.236 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)Cc1ccccc1 ZINC000582736443 329133888 /nfs/dbraw/zinc/13/38/88/329133888.db2.gz YZCWGEFUSVANLY-BZSNNMDCSA-N 1 3 274.452 3.361 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000582735986 329134141 /nfs/dbraw/zinc/13/41/41/329134141.db2.gz QUQDQRQGSGWNPO-JKSUJKDBSA-N 1 3 290.451 3.222 20 0 CGADHO C1=C(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000379575135 330135105 /nfs/dbraw/zinc/13/51/05/330135105.db2.gz XLONEACCUKSRJC-GVDBMIGSSA-N 1 3 262.441 3.387 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000576074335 335149523 /nfs/dbraw/zinc/14/95/23/335149523.db2.gz BPGACACWSLPALQ-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000576074335 335149525 /nfs/dbraw/zinc/14/95/25/335149525.db2.gz BPGACACWSLPALQ-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000580563864 335286809 /nfs/dbraw/zinc/28/68/09/335286809.db2.gz FXJNMKZWFNRGKP-ZNMIVQPWSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000580563864 335286811 /nfs/dbraw/zinc/28/68/11/335286811.db2.gz FXJNMKZWFNRGKP-ZNMIVQPWSA-N 1 3 252.446 3.262 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H](C)CC[NH+](C)C ZINC000577176794 335316550 /nfs/dbraw/zinc/31/65/50/335316550.db2.gz PQCKCOCESMUWST-BBRMVZONSA-N 1 3 276.424 3.002 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2cccc3ccccc32)C1 ZINC000577768490 335399743 /nfs/dbraw/zinc/39/97/43/335399743.db2.gz FBNKIQITFFVSSB-IRXDYDNUSA-N 1 3 268.404 3.242 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Sc1ccccc1 ZINC000578668474 335662227 /nfs/dbraw/zinc/66/22/27/335662227.db2.gz DLJAFIUAVWNEFR-MGPQQGTHSA-N 1 3 264.438 3.027 20 0 CGADHO CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000578750024 335669757 /nfs/dbraw/zinc/66/97/57/335669757.db2.gz XNMIJKTYRXUJIF-RDTXWAMCSA-N 1 3 284.403 3.011 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181676952 335778066 /nfs/dbraw/zinc/77/80/66/335778066.db2.gz GAMYJLIFUVSDMP-BBWFWOEESA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000385188060 336141468 /nfs/dbraw/zinc/14/14/68/336141468.db2.gz ODJBWLMVTQTOKG-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](C[N@H+](C)C[C@@H]1CCCNC1)C1CCCCC1 ZINC000386184569 336167735 /nfs/dbraw/zinc/16/77/35/336167735.db2.gz JEOKJQXETDPOPG-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H](C[N@@H+](C)C[C@@H]1CCCNC1)C1CCCCC1 ZINC000386184569 336167737 /nfs/dbraw/zinc/16/77/37/336167737.db2.gz JEOKJQXETDPOPG-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO COc1ccc(F)cc1CNC(C)(C)CCC[NH+](C)C ZINC000387241187 336190172 /nfs/dbraw/zinc/19/01/72/336190172.db2.gz OTBUJMUUUQXYAS-UHFFFAOYSA-N 1 3 282.403 3.044 20 0 CGADHO COc1cccc2c(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cccc12 ZINC000449168802 533837746 /nfs/dbraw/zinc/83/77/46/533837746.db2.gz FKKQQMYFAYTNEJ-GDBMZVCRSA-N 1 3 298.430 3.421 20 0 CGADHO COc1cccc2c(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cccc12 ZINC000449168802 533837752 /nfs/dbraw/zinc/83/77/52/533837752.db2.gz FKKQQMYFAYTNEJ-GDBMZVCRSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000423473585 533883325 /nfs/dbraw/zinc/88/33/25/533883325.db2.gz YOQUXKMLJNBVON-DMDPSCGWSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2occc2c1 ZINC000334749401 533897640 /nfs/dbraw/zinc/89/76/40/533897640.db2.gz JXLQFQCXGGZNRU-BBRMVZONSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2occc2c1 ZINC000334749401 533897646 /nfs/dbraw/zinc/89/76/46/533897646.db2.gz JXLQFQCXGGZNRU-BBRMVZONSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@H](NC[C@H]([NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423328071 533898316 /nfs/dbraw/zinc/89/83/16/533898316.db2.gz RXQZWWHFIIRJHG-IXLVHKGHSA-N 1 3 284.856 3.220 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC000149446866 534450592 /nfs/dbraw/zinc/45/05/92/534450592.db2.gz RLKBMZXHVOIZSX-QGZVFWFLSA-N 1 3 258.409 3.058 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1 ZINC000037643633 521159962 /nfs/dbraw/zinc/15/99/62/521159962.db2.gz GJQKEWHUCSWPOC-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037643633 521159969 /nfs/dbraw/zinc/15/99/69/521159969.db2.gz GJQKEWHUCSWPOC-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643633 521159976 /nfs/dbraw/zinc/15/99/76/521159976.db2.gz GJQKEWHUCSWPOC-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160797864 524046077 /nfs/dbraw/zinc/04/60/77/524046077.db2.gz KOBNLNAAIMIPCH-UHFFFAOYSA-N 1 3 272.795 3.157 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C(C)(C)C ZINC000089215325 525324078 /nfs/dbraw/zinc/32/40/78/525324078.db2.gz FLNALZIUVDZQGE-AWEZNQCLSA-N 1 3 275.440 3.322 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cncs1 ZINC000157862078 525336190 /nfs/dbraw/zinc/33/61/90/525336190.db2.gz KECSWFXWDQRXNH-KGLIPLIRSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cncs1 ZINC000157862078 525336195 /nfs/dbraw/zinc/33/61/95/525336195.db2.gz KECSWFXWDQRXNH-KGLIPLIRSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000088164021 525405171 /nfs/dbraw/zinc/40/51/71/525405171.db2.gz KAWVLEHLJMPVLX-FCLXEUQJSA-N 1 3 276.399 3.492 20 0 CGADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000088164021 525405177 /nfs/dbraw/zinc/40/51/77/525405177.db2.gz KAWVLEHLJMPVLX-FCLXEUQJSA-N 1 3 276.399 3.492 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826951 525416822 /nfs/dbraw/zinc/41/68/22/525416822.db2.gz AHJLSZITUQMVTN-NWDGAFQWSA-N 1 3 280.362 3.100 20 0 CGADHO c1cc2c(s1)CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000061325112 526446687 /nfs/dbraw/zinc/44/66/87/526446687.db2.gz NMTQBAINKJHBPH-CQSZACIVSA-N 1 3 264.438 3.201 20 0 CGADHO CCCC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCC1 ZINC000422924403 528061823 /nfs/dbraw/zinc/06/18/23/528061823.db2.gz AZRNVQDETDQKQI-CYBMUJFWSA-N 1 3 275.440 3.470 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423363295 528165073 /nfs/dbraw/zinc/16/50/73/528165073.db2.gz BRXFJYDIXCVEAG-RVKKMQEKSA-N 1 3 290.451 3.370 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423283735 528203406 /nfs/dbraw/zinc/20/34/06/528203406.db2.gz XLQOYQWVOXQYLX-CJNGLKHVSA-N 1 3 264.413 3.108 20 0 CGADHO CCC[NH+]1CCC(N[C@H](CC)CC(F)(F)F)CC1 ZINC000354971568 528206531 /nfs/dbraw/zinc/20/65/31/528206531.db2.gz LSHWPYAERANMHB-LLVKDONJSA-N 1 3 266.351 3.181 20 0 CGADHO CCC[C@H](NC[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423297287 528222798 /nfs/dbraw/zinc/22/27/98/528222798.db2.gz JQOYFBQXRXOJMK-FZMZJTMJSA-N 1 3 254.805 3.366 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC)[C@@H]2CC2(C)C)C1 ZINC000414069916 528261611 /nfs/dbraw/zinc/26/16/11/528261611.db2.gz KSWXMUHVUXWXLE-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)c1nc([C@@H](C)NCC[C@H]2CCC[NH2+]C2)cs1 ZINC000423261920 528301789 /nfs/dbraw/zinc/30/17/89/528301789.db2.gz TYSYJVZZLUJLNA-CHWSQXEVSA-N 1 3 281.469 3.307 20 0 CGADHO CC(C)c1nc([C@H](C)NCC[C@H]2CCC[NH2+]C2)cs1 ZINC000423261922 528313291 /nfs/dbraw/zinc/31/32/91/528313291.db2.gz TYSYJVZZLUJLNA-QWHCGFSZSA-N 1 3 281.469 3.307 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000423269423 528533787 /nfs/dbraw/zinc/53/37/87/528533787.db2.gz HDCCCOHVFPLVSH-LSDHHAIUSA-N 1 3 270.367 3.235 20 0 CGADHO CCN(CCOC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411186622 528563134 /nfs/dbraw/zinc/56/31/34/528563134.db2.gz QTEIHPIOVSPRAH-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO CCCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423287854 528688779 /nfs/dbraw/zinc/68/87/79/528688779.db2.gz OXRIDCJWAORNMM-CYBMUJFWSA-N 1 3 264.413 3.253 20 0 CGADHO CCCCOc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423225990 528690450 /nfs/dbraw/zinc/69/04/50/528690450.db2.gz PANFIAMMVAGMCL-KBPBESRZSA-N 1 3 264.413 3.253 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422888183 528725206 /nfs/dbraw/zinc/72/52/06/528725206.db2.gz BYJGEQMPZOOTKY-RDBSUJKOSA-N 1 3 294.439 3.260 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423373478 528726341 /nfs/dbraw/zinc/72/63/41/528726341.db2.gz HMVOBYXPMVBBTN-IMJJTQAJSA-N 1 3 276.424 3.396 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275400 529070982 /nfs/dbraw/zinc/07/09/82/529070982.db2.gz NDDDEUPJLAQVDB-ZWNOBZJWSA-N 1 3 290.329 3.219 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423285265 529071296 /nfs/dbraw/zinc/07/12/96/529071296.db2.gz YYPPGZAETLWSCF-YWPYICTPSA-N 1 3 268.832 3.405 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283710 529173227 /nfs/dbraw/zinc/17/32/27/529173227.db2.gz XIXVEXOUPJHRFY-ZIAGYGMSSA-N 1 3 286.366 3.312 20 0 CGADHO CCSc1ccccc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423299416 529257739 /nfs/dbraw/zinc/25/77/39/529257739.db2.gz QDRCUKHSHOAWKV-RYUDHWBXSA-N 1 3 252.427 3.044 20 0 CGADHO CC(C)Oc1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000110645544 535039815 /nfs/dbraw/zinc/03/98/15/535039815.db2.gz MUOHLIGZVWEOMO-AWEZNQCLSA-N 1 3 276.424 3.033 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000514115092 535510901 /nfs/dbraw/zinc/51/09/01/535510901.db2.gz OHXTULXNRUMCOA-GOSISDBHSA-N 1 3 274.452 3.382 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000514115092 535510904 /nfs/dbraw/zinc/51/09/04/535510904.db2.gz OHXTULXNRUMCOA-GOSISDBHSA-N 1 3 274.452 3.382 20 0 CGADHO CCc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000483494015 536170442 /nfs/dbraw/zinc/17/04/42/536170442.db2.gz TURGONXKWIICHT-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000483494015 536170447 /nfs/dbraw/zinc/17/04/47/536170447.db2.gz TURGONXKWIICHT-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494015 536170449 /nfs/dbraw/zinc/17/04/49/536170449.db2.gz TURGONXKWIICHT-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483494015 536170451 /nfs/dbraw/zinc/17/04/51/536170451.db2.gz TURGONXKWIICHT-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000261557306 572344536 /nfs/dbraw/zinc/34/45/36/572344536.db2.gz CNBMHKQSWWDWML-DGXTUMSLSA-N 1 3 252.446 3.035 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000382504249 572344656 /nfs/dbraw/zinc/34/46/56/572344656.db2.gz MAVHMVQBUMJTGS-XIRDDKMYSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000382504249 572344665 /nfs/dbraw/zinc/34/46/65/572344665.db2.gz MAVHMVQBUMJTGS-XIRDDKMYSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166329390 572812846 /nfs/dbraw/zinc/81/28/46/572812846.db2.gz VSSIZTMYRVSHOQ-ZWKOTPCHSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166329390 572812853 /nfs/dbraw/zinc/81/28/53/572812853.db2.gz VSSIZTMYRVSHOQ-ZWKOTPCHSA-N 1 3 272.436 3.062 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925619719 619091541 /nfs/dbraw/zinc/09/15/41/619091541.db2.gz QYSKIEXVNLERIH-RRFJBIMHSA-N 1 3 286.410 3.322 20 0 CGADHO C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C[C@H]1CCCCO1 ZINC000925640169 619101317 /nfs/dbraw/zinc/10/13/17/619101317.db2.gz QSAFSOFGFIEIPT-FGTMMUONSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661898 619116866 /nfs/dbraw/zinc/11/68/66/619116866.db2.gz FEXOJRCKHHBPCQ-GUTXKFCHSA-N 1 3 282.378 3.490 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@@H]1C[C@H]1C1CCC1 ZINC000925711968 619157784 /nfs/dbraw/zinc/15/77/84/619157784.db2.gz YHPPTLKQKJFMEV-XLAORIBOSA-N 1 3 276.468 3.181 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924961903 619463459 /nfs/dbraw/zinc/46/34/59/619463459.db2.gz XDZJNHFPWGOVNE-IRXDYDNUSA-N 1 3 294.483 3.188 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000895587505 619854997 /nfs/dbraw/zinc/85/49/97/619854997.db2.gz XBAJKSYXQUWKQD-RDJZCZTQSA-N 1 3 272.436 3.038 20 0 CGADHO CCc1onc(C)c1CNC1CCC(C)([NH+]2CCC2)CC1 ZINC000896951001 620111919 /nfs/dbraw/zinc/11/19/19/620111919.db2.gz JRCIBFGPVXDINE-UHFFFAOYSA-N 1 3 291.439 3.042 20 0 CGADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC1(N)CC1 ZINC000902412829 621304016 /nfs/dbraw/zinc/30/40/16/621304016.db2.gz GFMZOPHGZKMHKI-OAHLLOKOSA-N 1 3 274.408 3.105 20 0 CGADHO [NH3+]C1(CN[C@H](c2cccs2)C2CCCC2)CC1 ZINC000902413095 621322921 /nfs/dbraw/zinc/32/29/21/621322921.db2.gz IGDQXSMVIJUGLM-ZDUSSCGKSA-N 1 3 250.411 3.060 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902451069 621330069 /nfs/dbraw/zinc/33/00/69/621330069.db2.gz FFBPCCOYXIELNM-WCQYABFASA-N 1 3 293.480 3.174 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](c1ccncc1)C1CC1 ZINC000902513410 621351936 /nfs/dbraw/zinc/35/19/36/621351936.db2.gz FYOLTUYXQQTYHL-SCLBCKFNSA-N 1 3 296.418 3.046 20 0 CGADHO CC1(C)C[C@@H](N[C@H](c2ccncc2)C2CC2)C[C@@H]([NH3+])C1 ZINC000902515474 621359253 /nfs/dbraw/zinc/35/92/53/621359253.db2.gz VVNVTOWRKSDEBQ-PMPSAXMXSA-N 1 3 273.424 3.028 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902720307 621408411 /nfs/dbraw/zinc/40/84/11/621408411.db2.gz FXZTYVDCZPTTFK-ZWKOTPCHSA-N 1 3 296.499 3.293 20 0 CGADHO C[NH+](C)CCCN[C@@H](CCc1cccnc1)c1ccccc1 ZINC000902720943 621409836 /nfs/dbraw/zinc/40/98/36/621409836.db2.gz QVSCEUVFEJGXDV-IBGZPJMESA-N 1 3 297.446 3.297 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902832228 621466422 /nfs/dbraw/zinc/46/64/22/621466422.db2.gz KJHJCDOFQDVAKK-YIDVYQOGSA-N 1 3 250.430 3.028 20 0 CGADHO CC1(C)CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)O1 ZINC000903354639 621712629 /nfs/dbraw/zinc/71/26/29/621712629.db2.gz AZMYFWCWZCTKQI-YQAQFAQXSA-N 1 3 292.467 3.082 20 0 CGADHO CC1(C)CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)O1 ZINC000903354639 621712632 /nfs/dbraw/zinc/71/26/32/621712632.db2.gz AZMYFWCWZCTKQI-YQAQFAQXSA-N 1 3 292.467 3.082 20 0 CGADHO CC[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000903383964 621725341 /nfs/dbraw/zinc/72/53/41/621725341.db2.gz OYWDPGXXOPQFJD-HOTGVXAUSA-N 1 3 263.429 3.099 20 0 CGADHO Cc1ccc(F)c(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1F ZINC000903459391 621752284 /nfs/dbraw/zinc/75/22/84/621752284.db2.gz IEXCJJCELINCJK-ZDUSSCGKSA-N 1 3 294.389 3.237 20 0 CGADHO CC[N@H+](C[C@@H](N)CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887298 621822419 /nfs/dbraw/zinc/82/24/19/621822419.db2.gz YKNJARRTHBOECZ-MFKMUULPSA-N 1 3 274.330 3.191 20 0 CGADHO CC[N@@H+](C[C@@H](N)CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000903887298 621822421 /nfs/dbraw/zinc/82/24/21/621822421.db2.gz YKNJARRTHBOECZ-MFKMUULPSA-N 1 3 274.330 3.191 20 0 CGADHO COc1ccc2cc(CNCCC(C)(C)[NH3+])ccc2c1 ZINC000903941333 621838437 /nfs/dbraw/zinc/83/84/37/621838437.db2.gz ZQCXTEJFWAPTRB-UHFFFAOYSA-N 1 3 272.392 3.065 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904299976 621900959 /nfs/dbraw/zinc/90/09/59/621900959.db2.gz SSVCFVIXZLFMCL-SNVBAGLBSA-N 1 3 286.341 3.323 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000906517981 622242426 /nfs/dbraw/zinc/24/24/26/622242426.db2.gz LVYHXKSCECIFCK-MXVIHJGJSA-N 1 3 294.442 3.167 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000226391649 622965898 /nfs/dbraw/zinc/96/58/98/622965898.db2.gz DKDNFNYAFOVZAV-INIZCTEOSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@H+](CCCN[C@@H]1CCCSC1)C1CCCCC1 ZINC000061588731 623161313 /nfs/dbraw/zinc/16/13/13/623161313.db2.gz PJDFUDMHPSWWDT-CQSZACIVSA-N 1 3 270.486 3.126 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CCCSC1)C1CCCCC1 ZINC000061588731 623161317 /nfs/dbraw/zinc/16/13/17/623161317.db2.gz PJDFUDMHPSWWDT-CQSZACIVSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@@H](C[NH2+]C1CC(c2ccccc2)C1)CN1CCCC1 ZINC000062078432 623197555 /nfs/dbraw/zinc/19/75/55/623197555.db2.gz XDVJZWHHFZHHTK-ZLPCBKJTSA-N 1 3 272.436 3.254 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000089149461 623581750 /nfs/dbraw/zinc/58/17/50/623581750.db2.gz YYYKMVUIORPXKE-ZKYQVNSYSA-N 1 3 252.427 3.143 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2ccc(Cl)o2)CC1 ZINC000922847567 626057836 /nfs/dbraw/zinc/05/78/36/626057836.db2.gz AJCFVKUHKVVYDV-UHFFFAOYSA-N 1 3 282.815 3.430 20 0 CGADHO C[C@H]1C[C@@H](c2ccccc2)CN1CCC[NH2+]C1CC1 ZINC000923316200 626145210 /nfs/dbraw/zinc/14/52/10/626145210.db2.gz NJAKNSAPIQPOJB-GOEBONIOSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCNC1CC1 ZINC000923316200 626145211 /nfs/dbraw/zinc/14/52/11/626145211.db2.gz NJAKNSAPIQPOJB-GOEBONIOSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCNC1CC1 ZINC000923316200 626145212 /nfs/dbraw/zinc/14/52/12/626145212.db2.gz NJAKNSAPIQPOJB-GOEBONIOSA-N 1 3 258.409 3.007 20 0 CGADHO [NH3+]C[C@@H]1CN(CC2CCC3(CC3)CC2)C[C@H]1C(F)(F)F ZINC000923425205 626152181 /nfs/dbraw/zinc/15/21/81/626152181.db2.gz JRUTTYPCBVHIGF-CHWSQXEVSA-N 1 3 290.373 3.026 20 0 CGADHO C[C@@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923502706 626158309 /nfs/dbraw/zinc/15/83/09/626158309.db2.gz DPAKMUJYSCFYSC-NEPJUHHUSA-N 1 3 286.341 3.122 20 0 CGADHO c1ccc(CSCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000754785233 626587343 /nfs/dbraw/zinc/58/73/43/626587343.db2.gz JRUCVGJSUVYPGJ-SJORKVTESA-N 1 3 290.476 3.136 20 0 CGADHO c1ccc(CSCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754785233 626587345 /nfs/dbraw/zinc/58/73/45/626587345.db2.gz JRUCVGJSUVYPGJ-SJORKVTESA-N 1 3 290.476 3.136 20 0 CGADHO Cc1cccc2c1CC[N@@H+](CC[C@@H]1CCCCN1C)C2 ZINC000760838291 626996107 /nfs/dbraw/zinc/99/61/07/626996107.db2.gz XXESOEPABPVCDO-KRWDZBQOSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1cccc2c1CC[N@H+](CC[C@@H]1CCCCN1C)C2 ZINC000760838291 626996111 /nfs/dbraw/zinc/99/61/11/626996111.db2.gz XXESOEPABPVCDO-KRWDZBQOSA-N 1 3 272.436 3.228 20 0 CGADHO CC[NH+](CC)[C@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC000765517034 627256361 /nfs/dbraw/zinc/25/63/61/627256361.db2.gz VDSWOUMZWLRGHP-AWEZNQCLSA-N 1 3 299.418 3.164 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC000765518100 627256385 /nfs/dbraw/zinc/25/63/85/627256385.db2.gz XIWLTNSJKRPLNL-AWEZNQCLSA-N 1 3 299.418 3.021 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC000765518100 627256386 /nfs/dbraw/zinc/25/63/86/627256386.db2.gz XIWLTNSJKRPLNL-AWEZNQCLSA-N 1 3 299.418 3.021 20 0 CGADHO C[C@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000783230980 628691498 /nfs/dbraw/zinc/69/14/98/628691498.db2.gz OKKUDPQNBJKTNE-YOEHRIQHSA-N 1 3 264.457 3.419 20 0 CGADHO C[NH+]1CCC(CN2CCc3c(Cl)cccc3C2)CC1 ZINC000788481093 629058128 /nfs/dbraw/zinc/05/81/28/629058128.db2.gz PZPNDTXMGROOQZ-UHFFFAOYSA-N 1 3 278.827 3.040 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925019 630367275 /nfs/dbraw/zinc/36/72/75/630367275.db2.gz YHWNKUSEENYDGR-UONOGXRCSA-N 1 3 272.502 3.323 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925019 630367278 /nfs/dbraw/zinc/36/72/78/630367278.db2.gz YHWNKUSEENYDGR-UONOGXRCSA-N 1 3 272.502 3.323 20 0 CGADHO COC(C)(C)[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000815570613 631796751 /nfs/dbraw/zinc/79/67/51/631796751.db2.gz IFKSXMGXAYQRPY-HNNXBMFYSA-N 1 3 296.499 3.434 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000815570613 631796755 /nfs/dbraw/zinc/79/67/55/631796755.db2.gz IFKSXMGXAYQRPY-HNNXBMFYSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H](NCC[C@]1(C)CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000817936146 632237551 /nfs/dbraw/zinc/23/75/51/632237551.db2.gz HATZIIHJIKYNIW-IJLUTSLNSA-N 1 3 279.255 3.081 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866250330 633045900 /nfs/dbraw/zinc/04/59/00/633045900.db2.gz YNELVDOMUWAVMQ-GHMZBOCLSA-N 1 3 295.814 3.472 20 0 CGADHO Cc1cnc(CNCCCCCCC[NH+](C)C)s1 ZINC000823729921 633145983 /nfs/dbraw/zinc/14/59/83/633145983.db2.gz NTOIWUGRMNQODX-UHFFFAOYSA-N 1 3 269.458 3.053 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CCCOC1 ZINC000872041587 633964970 /nfs/dbraw/zinc/96/49/70/633964970.db2.gz UUZSMLLLEWMPEA-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@@H](NCc2cccc3ncccc23)CC1(C)C ZINC000872123238 634045237 /nfs/dbraw/zinc/04/52/37/634045237.db2.gz NMKXXLZGLUMNHG-OAHLLOKOSA-N 1 3 283.419 3.197 20 0 CGADHO C[N@H+]1CC[C@@H](NCc2cccc3ncccc23)CC1(C)C ZINC000872123238 634045240 /nfs/dbraw/zinc/04/52/40/634045240.db2.gz NMKXXLZGLUMNHG-OAHLLOKOSA-N 1 3 283.419 3.197 20 0 CGADHO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873210766 634285774 /nfs/dbraw/zinc/28/57/74/634285774.db2.gz ANKXQXABABYKCU-NSHDSACASA-N 1 3 266.454 3.308 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2N)s1 ZINC000873282575 634316807 /nfs/dbraw/zinc/31/68/07/634316807.db2.gz VNCHGBWEHZATJZ-NEPJUHHUSA-N 1 3 252.427 3.015 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cccc3ncccc23)CC1 ZINC000877458246 635044512 /nfs/dbraw/zinc/04/45/12/635044512.db2.gz NGFIJFVWKNPAHK-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cccc3ncccc23)CC1 ZINC000877458246 635044518 /nfs/dbraw/zinc/04/45/18/635044518.db2.gz NGFIJFVWKNPAHK-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CC[C@H]1C[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000877675400 635142482 /nfs/dbraw/zinc/14/24/82/635142482.db2.gz YTYPCSQSHDUIEY-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148010 635377492 /nfs/dbraw/zinc/37/74/92/635377492.db2.gz LKQHZYQSPHYHTP-HZPDHXFCSA-N 1 3 296.499 3.244 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148010 635377498 /nfs/dbraw/zinc/37/74/98/635377498.db2.gz LKQHZYQSPHYHTP-HZPDHXFCSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000128992917 636106541 /nfs/dbraw/zinc/10/65/41/636106541.db2.gz VEWLVDIBENBIEH-HZPDHXFCSA-N 1 3 264.388 3.255 20 0 CGADHO COC[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000883320791 636672643 /nfs/dbraw/zinc/67/26/43/636672643.db2.gz VUSRCINCEWWNSX-CWLKWCNXSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@](C[NH3+])(NC[C@H]1CCC[C@H](c2ccccc2)O1)C1CC1 ZINC000883418366 636749157 /nfs/dbraw/zinc/74/91/57/636749157.db2.gz GATHJTVOYGFTTC-KZNAEPCWSA-N 1 3 288.435 3.014 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)ccn1 ZINC000850514651 637099151 /nfs/dbraw/zinc/09/91/51/637099151.db2.gz OPBCENSTRHRAOG-MOPGFXCFSA-N 1 3 299.462 3.072 20 0 CGADHO Fc1cccc(/C=C/CNC2CC[NH+](C3CC3)CC2)c1 ZINC000885911600 637310828 /nfs/dbraw/zinc/31/08/28/637310828.db2.gz ZNKNJIXLXXHDRZ-DUXPYHPUSA-N 1 3 274.383 3.055 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000886040723 637381454 /nfs/dbraw/zinc/38/14/54/637381454.db2.gz BTAYPKHDXPNBPU-FGTMMUONSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)[NH+]1CCC(CCNCc2ccc(Cl)cn2)CC1 ZINC000886176469 637449018 /nfs/dbraw/zinc/44/90/18/637449018.db2.gz COSZYMCURYTFNI-UHFFFAOYSA-N 1 3 295.858 3.335 20 0 CGADHO CC1([NH+]2CCCC2)CCC(NCc2ccns2)CC1 ZINC000886641715 637624743 /nfs/dbraw/zinc/62/47/43/637624743.db2.gz QLPPGHLIPQAOTR-UHFFFAOYSA-N 1 3 279.453 3.030 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000221909136 637765950 /nfs/dbraw/zinc/76/59/50/637765950.db2.gz KIJZGPXLWALOEA-AWEZNQCLSA-N 1 3 266.404 3.077 20 0 CGADHO CS[C@@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000300663946 637848979 /nfs/dbraw/zinc/84/89/79/637848979.db2.gz LDKOFNQIWLTXDY-JLUCKKNBSA-N 1 3 262.422 3.005 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000854230750 638028623 /nfs/dbraw/zinc/02/86/23/638028623.db2.gz XRJFXKVPBXCPOV-SWLSCSKDSA-N 1 3 252.377 3.158 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccns1 ZINC000924681644 638387297 /nfs/dbraw/zinc/38/72/97/638387297.db2.gz QCIGWMWBBXRRKI-AWEZNQCLSA-N 1 3 281.469 3.306 20 0 CGADHO Cc1cccc([C@@H](NCCCC[NH+](C)C)c2ccccn2)c1 ZINC000924853987 638415881 /nfs/dbraw/zinc/41/58/81/638415881.db2.gz KNPGRRSGQMVCIQ-LJQANCHMSA-N 1 3 297.446 3.411 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924958281 638430273 /nfs/dbraw/zinc/43/02/73/638430273.db2.gz DSRKXWZPVKDMOJ-KLHKWILBSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925500889 638513020 /nfs/dbraw/zinc/51/30/20/638513020.db2.gz AMLOANJKUVNJKV-QJPTWQEYSA-N 1 3 252.427 3.305 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2cc(F)ccc2F)C1 ZINC000925529691 638520334 /nfs/dbraw/zinc/52/03/34/638520334.db2.gz LKPARSJXRYJGMF-KBPBESRZSA-N 1 3 282.378 3.003 20 0 CGADHO CC[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1C ZINC000925575891 638534509 /nfs/dbraw/zinc/53/45/09/638534509.db2.gz IGLCRZBQCPEMFH-HYVNUMGLSA-N 1 3 288.435 3.012 20 0 CGADHO C[C@@]1(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@H]1c1ccccc1 ZINC000925678284 638567015 /nfs/dbraw/zinc/56/70/15/638567015.db2.gz UOHNMGXLVRSZHN-MUQADHOPSA-N 1 3 272.436 3.428 20 0 CGADHO C1=C(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925682074 638567246 /nfs/dbraw/zinc/56/72/46/638567246.db2.gz ZWWZQHJEVFMSIM-DLBZAZTESA-N 1 3 262.441 3.245 20 0 CGADHO C1=C(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925682074 638567252 /nfs/dbraw/zinc/56/72/52/638567252.db2.gz ZWWZQHJEVFMSIM-DLBZAZTESA-N 1 3 262.441 3.245 20 0 CGADHO [NH3+]CCC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1ccccc1 ZINC000925706055 638573401 /nfs/dbraw/zinc/57/34/01/638573401.db2.gz DXSPXDJRZGLKPS-FHWLQOOXSA-N 1 3 296.414 3.235 20 0 CGADHO CC1(C)C[C@@H](NCc2ccc3cccnc3c2)C[C@@H]([NH3+])C1 ZINC000925724448 638582030 /nfs/dbraw/zinc/58/20/30/638582030.db2.gz BDSUMMRMKLJCOG-CVEARBPZSA-N 1 3 283.419 3.230 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1[C@@H](c3ccccc3)C1(C)C)[NH2+]2 ZINC000925722759 638582586 /nfs/dbraw/zinc/58/25/86/638582586.db2.gz LCDVGJIJCZRQRQ-BHJSCHTGSA-N 1 3 284.447 3.297 20 0 CGADHO CCC(CC)(CN[C@@H]1C[C@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925734101 638588590 /nfs/dbraw/zinc/58/85/90/638588590.db2.gz NIWAXVRIIRMQRU-WDEREUQCSA-N 1 3 278.362 3.215 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1C[C@H](N)C12CCC2)C(F)(F)F ZINC000925734101 638588597 /nfs/dbraw/zinc/58/85/97/638588597.db2.gz NIWAXVRIIRMQRU-WDEREUQCSA-N 1 3 278.362 3.215 20 0 CGADHO CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CNCCC2(F)F)C1 ZINC000925781000 638612403 /nfs/dbraw/zinc/61/24/03/638612403.db2.gz HAHSUMLHDQKBNJ-WCQYABFASA-N 1 3 298.377 3.128 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000925930818 638658287 /nfs/dbraw/zinc/65/82/87/638658287.db2.gz ZPYOEYQITUZHDI-CQSZACIVSA-N 1 3 274.399 3.274 20 0 CGADHO C[C@H](CC[NH2+][C@H](C1CC1)C1CCOCC1)N1CCCCC1 ZINC000926140115 638720005 /nfs/dbraw/zinc/72/00/05/638720005.db2.gz BEFORFXHLNAEIL-CRAIPNDOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)C1(Cl)CC1)N1CCCCC1 ZINC000926146871 638722329 /nfs/dbraw/zinc/72/23/29/638722329.db2.gz XHPDVZKZTFMKFZ-OLZOCXBDSA-N 1 3 258.837 3.000 20 0 CGADHO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490591 638741181 /nfs/dbraw/zinc/74/11/81/638741181.db2.gz KCKVANQBDWEMLT-KBPBESRZSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000926604198 638790635 /nfs/dbraw/zinc/79/06/35/638790635.db2.gz MQCWWXXYWGLJQQ-QGLTVNCISA-N 1 3 280.387 3.055 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2cccc(OC)c2C)CC1 ZINC000929777695 638949685 /nfs/dbraw/zinc/94/96/85/638949685.db2.gz NFQDIVDQJPRNJN-UHFFFAOYSA-N 1 3 290.451 3.310 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2cccc(OC)c2C)CC1 ZINC000929777695 638949686 /nfs/dbraw/zinc/94/96/86/638949686.db2.gz NFQDIVDQJPRNJN-UHFFFAOYSA-N 1 3 290.451 3.310 20 0 CGADHO COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000930460521 639003595 /nfs/dbraw/zinc/00/35/95/639003595.db2.gz PEQHZOWZSSCNBU-SJPCQFCGSA-N 1 3 288.435 3.061 20 0 CGADHO COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000930460521 639003599 /nfs/dbraw/zinc/00/35/99/639003599.db2.gz PEQHZOWZSSCNBU-SJPCQFCGSA-N 1 3 288.435 3.061 20 0 CGADHO CN(C)C1(C)CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000931352165 639139810 /nfs/dbraw/zinc/13/98/10/639139810.db2.gz FHGJKXHABGEMLN-OAHLLOKOSA-N 1 3 250.430 3.291 20 0 CGADHO Cc1ccc(OC[C@@H](C)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000040496134 639894439 /nfs/dbraw/zinc/89/44/39/639894439.db2.gz WXVGTPPMAZVVCW-MRXNPFEDSA-N 1 3 290.451 3.225 20 0 CGADHO C[C@H](Cc1ccco1)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515144 640773476 /nfs/dbraw/zinc/77/34/76/640773476.db2.gz DLVCPQSYKBTFAD-ZNMIVQPWSA-N 1 3 264.413 3.111 20 0 CGADHO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc(N(C)C)ccn2)c1 ZINC001155339791 805574340 /nfs/dbraw/zinc/57/43/40/805574340.db2.gz VZXBHPMDNJBZEY-LBPRGKRZSA-N 1 3 280.375 3.111 20 0 CGADHO C1CC12CCC(N1CCC([NH+]3CCCC3)CC1)CC2 ZINC001254440885 806399259 /nfs/dbraw/zinc/39/92/59/806399259.db2.gz DRXBZUVWYAMOJS-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO C1CC12CCC([NH+]1CCC(N3CCCC3)CC1)CC2 ZINC001254440885 806399267 /nfs/dbraw/zinc/39/92/67/806399267.db2.gz DRXBZUVWYAMOJS-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO C[N@@H+]1CCC[C@H](NC(C)(C)c2ccc(F)cc2)CC1 ZINC001254509501 806431115 /nfs/dbraw/zinc/43/11/15/806431115.db2.gz OQWJMXCSDXYLPJ-HNNXBMFYSA-N 1 3 264.388 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](NC(C)(C)c2ccc(F)cc2)CC1 ZINC001254509501 806431119 /nfs/dbraw/zinc/43/11/19/806431119.db2.gz OQWJMXCSDXYLPJ-HNNXBMFYSA-N 1 3 264.388 3.135 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[N@H+](C)CC1)CCC2 ZINC001254515280 806436945 /nfs/dbraw/zinc/43/69/45/806436945.db2.gz VFZXAZKQTURDQZ-CRAIPNDOSA-N 1 3 288.435 3.147 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[N@@H+](C)CC1)CCC2 ZINC001254515280 806436950 /nfs/dbraw/zinc/43/69/50/806436950.db2.gz VFZXAZKQTURDQZ-CRAIPNDOSA-N 1 3 288.435 3.147 20 0 CGADHO CN1CCC[C@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515576 806436645 /nfs/dbraw/zinc/43/66/45/806436645.db2.gz YRGPWCWCLRUICA-DZGCQCFKSA-N 1 3 294.826 3.238 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254526220 806442455 /nfs/dbraw/zinc/44/24/55/806442455.db2.gz PXUUXFIZDDMQNU-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254526220 806442459 /nfs/dbraw/zinc/44/24/59/806442459.db2.gz PXUUXFIZDDMQNU-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO Cc1cc2[nH]ccc2c(NC[C@]2(CC3CC3)CCC[NH2+]2)n1 ZINC001162350359 806562010 /nfs/dbraw/zinc/56/20/10/806562010.db2.gz DBHXSISSIGPKQB-QGZVFWFLSA-N 1 3 284.407 3.206 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001255527564 806663624 /nfs/dbraw/zinc/66/36/24/806663624.db2.gz OPFQTPVGWFMRMC-SJORKVTESA-N 1 3 290.451 3.227 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000378681018 799342902 /nfs/dbraw/zinc/34/29/02/799342902.db2.gz WFEZQDLJXYQZPD-CYBMUJFWSA-N 1 3 272.314 3.019 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)CN1CCCCC1 ZINC000382048019 799392458 /nfs/dbraw/zinc/39/24/58/799392458.db2.gz VUGJTZJGOXHQII-OTBWCIGPSA-N 1 3 264.457 3.277 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC001255941414 806789403 /nfs/dbraw/zinc/78/94/03/806789403.db2.gz QLNUXXKZMJPQCJ-GFCCVEGCSA-N 1 3 262.388 3.274 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255943801 806791334 /nfs/dbraw/zinc/79/13/34/806791334.db2.gz PVQHBTIBEDSSOA-GJZGRUSLSA-N 1 3 280.431 3.467 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001255947576 806792337 /nfs/dbraw/zinc/79/23/37/806792337.db2.gz SSWJOPWXGVRQST-CABCVRRESA-N 1 3 278.440 3.206 20 0 CGADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CN1 ZINC000708850894 799998074 /nfs/dbraw/zinc/99/80/74/799998074.db2.gz ROKNWKIJNZYFNQ-VNQPRFMTSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CN1 ZINC000708850894 799998081 /nfs/dbraw/zinc/99/80/81/799998081.db2.gz ROKNWKIJNZYFNQ-VNQPRFMTSA-N 1 3 250.430 3.029 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)Cc1cccnc1 ZINC001255950901 806794909 /nfs/dbraw/zinc/79/49/09/806794909.db2.gz FEFKPMLMKYRLJJ-HNNXBMFYSA-N 1 3 277.456 3.113 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001255951294 806795042 /nfs/dbraw/zinc/79/50/42/806795042.db2.gz PQMFETQBCSVWNL-GJZGRUSLSA-N 1 3 278.440 3.033 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001255950581 806795782 /nfs/dbraw/zinc/79/57/82/806795782.db2.gz ATPALHVLQJSLNI-WBVHZDCISA-N 1 3 274.452 3.426 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC1(Cc2cccnc2)CC1 ZINC001255950832 806795809 /nfs/dbraw/zinc/79/58/09/806795809.db2.gz CQYZHDOGNIQQGR-INIZCTEOSA-N 1 3 289.467 3.114 20 0 CGADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000709816233 800020787 /nfs/dbraw/zinc/02/07/87/800020787.db2.gz IDOYREDUFUEPOM-UBHSHLNASA-N 1 3 284.325 3.017 20 0 CGADHO CC1([NH2+]Cc2cc3c(s2)CCNC3)CCCCC1 ZINC000710908618 800042589 /nfs/dbraw/zinc/04/25/89/800042589.db2.gz VIMDBXIAPMRHFA-UHFFFAOYSA-N 1 3 264.438 3.206 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000716056221 800163470 /nfs/dbraw/zinc/16/34/70/800163470.db2.gz AALJXPWVNJDJCH-BZSADYMVSA-N 1 3 288.460 3.395 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716265774 800166108 /nfs/dbraw/zinc/16/61/08/800166108.db2.gz BRNZRNUFOOZCOC-BXUZGUMPSA-N 1 3 287.234 3.253 20 0 CGADHO Cc1cc(F)cc(C)c1CNC1CC[NH+](C2CC2)CC1 ZINC001256067799 806809412 /nfs/dbraw/zinc/80/94/12/806809412.db2.gz JZLPMPPYAOFGQX-UHFFFAOYSA-N 1 3 276.399 3.159 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CCCN2CCC(C)CC2)CC1 ZINC000718748433 800220896 /nfs/dbraw/zinc/22/08/96/800220896.db2.gz ACNSGZPXEDLXJB-DLBZAZTESA-N 1 3 282.472 3.046 20 0 CGADHO CC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC(F)(F)C1 ZINC000720994857 800275897 /nfs/dbraw/zinc/27/58/97/800275897.db2.gz KPVLSKXAPBMEDZ-CHWSQXEVSA-N 1 3 266.335 3.156 20 0 CGADHO CC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC(F)(F)C1 ZINC000720994863 800275927 /nfs/dbraw/zinc/27/59/27/800275927.db2.gz KPVLSKXAPBMEDZ-STQMWFEESA-N 1 3 266.335 3.156 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000821991278 800458565 /nfs/dbraw/zinc/45/85/65/800458565.db2.gz SNUKILOEOJJOHR-JUSVIEOHSA-N 1 3 276.468 3.321 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001256572405 806920201 /nfs/dbraw/zinc/92/02/01/806920201.db2.gz RAMRRYYCZMEFPT-QGZVFWFLSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001256572405 806920203 /nfs/dbraw/zinc/92/02/03/806920203.db2.gz RAMRRYYCZMEFPT-QGZVFWFLSA-N 1 3 287.451 3.481 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256617611 806927712 /nfs/dbraw/zinc/92/77/12/806927712.db2.gz UFIKJFKVXWAGGZ-YCXXCVGLSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617611 806927714 /nfs/dbraw/zinc/92/77/14/806927714.db2.gz UFIKJFKVXWAGGZ-YCXXCVGLSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1cc(F)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001256614883 806926109 /nfs/dbraw/zinc/92/61/09/806926109.db2.gz NMJJCAWFRWBETP-MQVJKMGUSA-N 1 3 276.399 3.157 20 0 CGADHO C[C@@H]1CCC[C@H](CN2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001119517263 802675983 /nfs/dbraw/zinc/67/59/83/802675983.db2.gz QIDMSXXDJIDFEK-CVEARBPZSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](CC[NH2+]CCCC(F)(F)F)N1CCCCC1 ZINC001119954684 802713891 /nfs/dbraw/zinc/71/38/91/802713891.db2.gz PKNOONQCPXMOLL-LBPRGKRZSA-N 1 3 266.351 3.183 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)o3)C[C@H]2C1 ZINC001119988140 802720294 /nfs/dbraw/zinc/72/02/94/802720294.db2.gz FUBNPOGDZKLQMR-JHJVBQTASA-N 1 3 282.815 3.095 20 0 CGADHO Fc1c(/C=C/C2CC[NH2+]CC2)cccc1CN1CCCC1 ZINC001243897673 803066885 /nfs/dbraw/zinc/06/68/85/803066885.db2.gz ZQIOLAMUKUOJGK-VOTSOKGWSA-N 1 3 288.410 3.434 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c(C)cccc1C ZINC001137852596 803784406 /nfs/dbraw/zinc/78/44/06/803784406.db2.gz IQHVHENQSVWEAW-UHFFFAOYSA-N 1 3 262.441 3.467 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246065229 804107050 /nfs/dbraw/zinc/10/70/50/804107050.db2.gz KBMBYKOARJXUQT-CBBWQLFWSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1CC(NCCc2c(F)cccc2Cl)C[C@@H](C)[NH2+]1 ZINC001246075168 804114543 /nfs/dbraw/zinc/11/45/43/804114543.db2.gz HXVZOZCTMWLGLS-GHMZBOCLSA-N 1 3 284.806 3.140 20 0 CGADHO C[C@H]1CC[C@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246082945 804118900 /nfs/dbraw/zinc/11/89/00/804118900.db2.gz ZKZLHXAJMAXVQF-DKIMLUQUSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@@]1(C)CCCC[NH2+]C1 ZINC001246090642 804122657 /nfs/dbraw/zinc/12/26/57/804122657.db2.gz LIEVFTHOCKJWRR-PBHICJAKSA-N 1 3 278.415 3.126 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(C)cc2)C[C@H](CC)[NH2+]1 ZINC001246099208 804131909 /nfs/dbraw/zinc/13/19/09/804131909.db2.gz QROPCGFFMOUDAW-BCDXTJNWSA-N 1 3 274.452 3.436 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246103401 804137529 /nfs/dbraw/zinc/13/75/29/804137529.db2.gz ZEUSJNQYXCDMJR-IRXDYDNUSA-N 1 3 290.451 3.138 20 0 CGADHO C[C@@]1(CN[C@H]2Cc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107076 804140622 /nfs/dbraw/zinc/14/06/22/804140622.db2.gz YTWRBPCLCNELIU-WMLDXEAASA-N 1 3 292.854 3.177 20 0 CGADHO CC1(C)CCC(NC[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112644 804142643 /nfs/dbraw/zinc/14/26/43/804142643.db2.gz LVEPCNPNNBLAJB-OAHLLOKOSA-N 1 3 256.409 3.027 20 0 CGADHO CCCCCC[C@H](C)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116130 804148201 /nfs/dbraw/zinc/14/82/01/804148201.db2.gz VBRRXWQDTSENHK-QWHCGFSZSA-N 1 3 280.378 3.477 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@@H]1C[NH2+]CC[C@H]1C ZINC001246117243 804149501 /nfs/dbraw/zinc/14/95/01/804149501.db2.gz YIYNUCDGJUVXPC-MCIONIFRSA-N 1 3 296.455 3.142 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246118571 804150990 /nfs/dbraw/zinc/15/09/90/804150990.db2.gz SFBCRDMVOUAFRI-JKSUJKDBSA-N 1 3 292.492 3.455 20 0 CGADHO C[C@H]1C[C@H](NCCc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246158890 804175984 /nfs/dbraw/zinc/17/59/84/804175984.db2.gz NIEQHBSWQJWKMC-CMPLNLGQSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)CCN1 ZINC001246158890 804175989 /nfs/dbraw/zinc/17/59/89/804175989.db2.gz NIEQHBSWQJWKMC-CMPLNLGQSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1CC([NH2+]CC23CC4CC(CC(C4)C2)C3)C[C@H](C)N1 ZINC001246173250 804187490 /nfs/dbraw/zinc/18/74/90/804187490.db2.gz RYRMMVMHQZHLRH-ZAOZSLGCSA-N 1 3 276.468 3.321 20 0 CGADHO C[C@@H]1C[C@@H](NCCSCc2ccc(F)cc2)C[C@H](C)[NH2+]1 ZINC001246175706 804190955 /nfs/dbraw/zinc/19/09/55/804190955.db2.gz VKMNCYBEAJFWBJ-YWVIFJGQSA-N 1 3 296.455 3.178 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCSCc2ccc(F)cc2)C[C@H](C)N1 ZINC001246175706 804190961 /nfs/dbraw/zinc/19/09/61/804190961.db2.gz VKMNCYBEAJFWBJ-YWVIFJGQSA-N 1 3 296.455 3.178 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246180905 804193281 /nfs/dbraw/zinc/19/32/81/804193281.db2.gz SNGLTPKHZJEAKL-SWLSCSKDSA-N 1 3 280.843 3.391 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246188976 804198923 /nfs/dbraw/zinc/19/89/23/804198923.db2.gz KTDPIVIBIBLTBL-FATYVTMNSA-N 1 3 278.827 3.446 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246220393 804215476 /nfs/dbraw/zinc/21/54/76/804215476.db2.gz FPDOFOXFVDTYGV-RCCFBDPRSA-N 1 3 292.442 3.325 20 0 CGADHO F[C@H]1CCNC[C@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246223234 804217064 /nfs/dbraw/zinc/21/70/64/804217064.db2.gz QVCLCWDXKXNJNS-HOCLYGCPSA-N 1 3 282.447 3.417 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCSCc2ccccc2)CC[NH2+]1 ZINC001246231189 804224145 /nfs/dbraw/zinc/22/41/45/804224145.db2.gz SHRDGOLLJUTBBY-IAGOWNOFSA-N 1 3 292.492 3.286 20 0 CGADHO CCCC[C@H]1C[C@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246233862 804227094 /nfs/dbraw/zinc/22/70/94/804227094.db2.gz BULJYDYBOCAVQZ-DLBZAZTESA-N 1 3 290.451 3.356 20 0 CGADHO CC(C)(C)[C@H]1CC[C@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246238138 804230436 /nfs/dbraw/zinc/23/04/36/804230436.db2.gz FFCZUNYISFPWKK-KKUMJFAQSA-N 1 3 252.446 3.323 20 0 CGADHO CCOc1ccc(C[N@H+](C)CCCN(C)C)cc1CC ZINC001139618922 804231712 /nfs/dbraw/zinc/23/17/12/804231712.db2.gz QTBKFWRXLRBRGR-UHFFFAOYSA-N 1 3 278.440 3.031 20 0 CGADHO CCOc1ccc(C[N@@H+](C)CCCN(C)C)cc1CC ZINC001139618922 804231720 /nfs/dbraw/zinc/23/17/20/804231720.db2.gz QTBKFWRXLRBRGR-UHFFFAOYSA-N 1 3 278.440 3.031 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2C[C@@H](C)N[C@H](C)C2)CC(C)(C)C1 ZINC001246252379 804238034 /nfs/dbraw/zinc/23/80/34/804238034.db2.gz VUWDUHLMJAAJLC-KYEXWDHISA-N 1 3 252.446 3.320 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)CCN1 ZINC001246254299 804239480 /nfs/dbraw/zinc/23/94/80/804239480.db2.gz GNUQZFXTXUICDN-CQJMVSDSSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2coc3ccccc23)CC[NH2+]1 ZINC001246260494 804242758 /nfs/dbraw/zinc/24/27/58/804242758.db2.gz GRHARQANEARGKE-WBVHZDCISA-N 1 3 286.419 3.342 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@@H](C)N[C@H](C)C1 ZINC001246273635 804249056 /nfs/dbraw/zinc/24/90/56/804249056.db2.gz QQCYHEVHXSPQGW-YNEHKIRRSA-N 1 3 280.843 3.390 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246273630 804249601 /nfs/dbraw/zinc/24/96/01/804249601.db2.gz QQCYHEVHXSPQGW-JFILPPLUSA-N 1 3 280.843 3.390 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC1(C[NH3+])CCCC1 ZINC001246277674 804252844 /nfs/dbraw/zinc/25/28/44/804252844.db2.gz AJGPVQANHMHKPD-GFCCVEGCSA-N 1 3 282.428 3.167 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCCC2(C)C)CCN1 ZINC001246292228 804261972 /nfs/dbraw/zinc/26/19/72/804261972.db2.gz WQHIJXLOLLBSNA-KFWWJZLASA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H](CCN)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246299646 804267002 /nfs/dbraw/zinc/26/70/02/804267002.db2.gz JAKCHKSTNCSJIC-RYUDHWBXSA-N 1 3 299.256 3.097 20 0 CGADHO Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](N)CC(C)C)cc1 ZINC001246298579 804265679 /nfs/dbraw/zinc/26/56/79/804265679.db2.gz BILFIUONEBRGOG-CABCVRRESA-N 1 3 280.481 3.439 20 0 CGADHO C[C@H](CCN)[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246298491 804265501 /nfs/dbraw/zinc/26/55/01/804265501.db2.gz AMSVERRGGXOFOW-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO CCCCCC(CCCCC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246298175 804265903 /nfs/dbraw/zinc/26/59/03/804265903.db2.gz ZXSAZHUNNGIJDF-QGZVFWFLSA-N 1 3 284.488 3.220 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@H](C)CSc1ccc(F)cc1 ZINC001246300770 804265984 /nfs/dbraw/zinc/26/59/84/804265984.db2.gz OORBAXWTUJGHHR-OCCSQVGLSA-N 1 3 284.444 3.269 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246311621 804274075 /nfs/dbraw/zinc/27/40/75/804274075.db2.gz QGSZUWGTQAURRU-JKSUJKDBSA-N 1 3 280.843 3.160 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246316409 804277698 /nfs/dbraw/zinc/27/76/98/804277698.db2.gz ZIOPRQOLPWVCPQ-ZYHUDNBSSA-N 1 3 272.845 3.148 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246330413 804285589 /nfs/dbraw/zinc/28/55/89/804285589.db2.gz ZFIMZZMQAFELIL-HOTGVXAUSA-N 1 3 296.405 3.408 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246330690 804286538 /nfs/dbraw/zinc/28/65/38/804286538.db2.gz FJRRFBSMONYYAI-OAOYMFHYSA-N 1 3 286.463 3.443 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N[C@@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246337160 804291645 /nfs/dbraw/zinc/29/16/45/804291645.db2.gz XIJYERYJRODGHY-SOUVJXGZSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CC2(CC3CCC3)CC2)CCN1 ZINC001246376130 804310957 /nfs/dbraw/zinc/31/09/57/804310957.db2.gz LZZLQFSIBSOFEB-AWEZNQCLSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCNCC1(C)C ZINC001246378517 804311681 /nfs/dbraw/zinc/31/16/81/804311681.db2.gz WIFMVPYUVKUFTB-ABAIWWIYSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[NH2+]CC1(C)C ZINC001246378517 804311691 /nfs/dbraw/zinc/31/16/91/804311691.db2.gz WIFMVPYUVKUFTB-ABAIWWIYSA-N 1 3 298.833 3.388 20 0 CGADHO Cc1ccc(C[C@@H](C)[NH2+]C2(CC3CC3)CCNCC2)cc1 ZINC001246382714 804314052 /nfs/dbraw/zinc/31/40/52/804314052.db2.gz ZQXLLVWPDNCJPM-MRXNPFEDSA-N 1 3 286.463 3.438 20 0 CGADHO CC(C)CC[C@H](C)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246382379 804314176 /nfs/dbraw/zinc/31/41/76/804314176.db2.gz WWRHUCNBZLGVHO-AWEZNQCLSA-N 1 3 252.446 3.323 20 0 CGADHO CCC1CCC([NH2+]C2(CC3CC3)CCNCC2)CC1 ZINC001246381560 804314216 /nfs/dbraw/zinc/31/42/16/804314216.db2.gz PWDNJBQGWQHSEN-UHFFFAOYSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CN1 ZINC001246406927 804323992 /nfs/dbraw/zinc/32/39/92/804323992.db2.gz QLAZQPBEBCVKTO-JSGCOSHPSA-N 1 3 286.410 3.465 20 0 CGADHO CCC1([NH2+][C@H](C)Cc2ccccc2Cl)CCNCC1 ZINC001246424292 804327660 /nfs/dbraw/zinc/32/76/60/804327660.db2.gz QFUNUWSODBQPTR-CYBMUJFWSA-N 1 3 280.843 3.393 20 0 CGADHO CC[C@H]1C[C@@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246419265 804327750 /nfs/dbraw/zinc/32/77/50/804327750.db2.gz FWPLIITVSOIUHT-STQMWFEESA-N 1 3 284.806 3.142 20 0 CGADHO CCC1([NH2+][C@H](C)Cc2ccc(Cl)cc2)CCNCC1 ZINC001246423382 804328213 /nfs/dbraw/zinc/32/82/13/804328213.db2.gz ITYIOCIOUPACKS-CYBMUJFWSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H]1CC[C@@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246430777 804329002 /nfs/dbraw/zinc/32/90/02/804329002.db2.gz SGOZVUKQTWZEBU-GDBMZVCRSA-N 1 3 258.409 3.044 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246458645 804340264 /nfs/dbraw/zinc/34/02/64/804340264.db2.gz AJFLYEGELCWSLP-AVGNSLFASA-N 1 3 299.245 3.191 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246458645 804340272 /nfs/dbraw/zinc/34/02/72/804340272.db2.gz AJFLYEGELCWSLP-AVGNSLFASA-N 1 3 299.245 3.191 20 0 CGADHO CC[C@@H]1CC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246461022 804341518 /nfs/dbraw/zinc/34/15/18/804341518.db2.gz MPRYOPLAUAWDFH-VNQPRFMTSA-N 1 3 250.430 3.077 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@H]2C[C@@](C)(N)C2)CC1 ZINC001246461344 804341535 /nfs/dbraw/zinc/34/15/35/804341535.db2.gz PCAFEMYDMIAVDL-WMGNVKTNSA-N 1 3 252.446 3.451 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246463007 804343371 /nfs/dbraw/zinc/34/33/71/804343371.db2.gz UIMDLWKHXVXFJV-YYIAUSFCSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246463007 804343379 /nfs/dbraw/zinc/34/33/79/804343379.db2.gz UIMDLWKHXVXFJV-YYIAUSFCSA-N 1 3 258.409 3.053 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](NC)C1 ZINC001246463937 804344799 /nfs/dbraw/zinc/34/47/99/804344799.db2.gz XVAJYZYPUIDGSS-BRWVUGGUSA-N 1 3 260.425 3.128 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@H]1C[C@H]([NH2+]C)C1 ZINC001246463937 804344806 /nfs/dbraw/zinc/34/48/06/804344806.db2.gz XVAJYZYPUIDGSS-BRWVUGGUSA-N 1 3 260.425 3.128 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246465194 804346131 /nfs/dbraw/zinc/34/61/31/804346131.db2.gz JTWGKLDLKYQRPV-IRXDYDNUSA-N 1 3 284.447 3.371 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCNCC12CC2 ZINC001246471223 804349144 /nfs/dbraw/zinc/34/91/44/804349144.db2.gz BSMFZGUSYCGSPP-DOMZBBRYSA-N 1 3 278.827 3.003 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCNCC12CC2 ZINC001246473673 804350249 /nfs/dbraw/zinc/35/02/49/804350249.db2.gz MPIOCEARYFIMPF-MSOLQXFVSA-N 1 3 286.463 3.376 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCCCNC1)c1cccc(C)c1C ZINC001246475559 804352496 /nfs/dbraw/zinc/35/24/96/804352496.db2.gz OTTDYMSNXFVOIA-DOTOQJQBSA-N 1 3 260.425 3.486 20 0 CGADHO NC12CC([NH2+][C@H]3CCc4cc(Cl)c(Cl)cc4C3)(C1)C2 ZINC001246504203 804363554 /nfs/dbraw/zinc/36/35/54/804363554.db2.gz OJWQQSMPFQVYHN-QGLTVNCISA-N 1 3 297.229 3.074 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@H](CC)C1CNC1 ZINC001246514427 804368993 /nfs/dbraw/zinc/36/89/93/804368993.db2.gz HOCHNWSNDZKVBJ-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO CCCC[C@@H](CCC)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246515254 804369110 /nfs/dbraw/zinc/36/91/10/804369110.db2.gz KXHXZYKEJRJHKU-CVEARBPZSA-N 1 3 252.446 3.323 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H](C3CC3)C3CNC3)C2)cc1 ZINC001246520448 804374729 /nfs/dbraw/zinc/37/47/29/804374729.db2.gz WAFKTXPTJBMLFS-QRQLOZEOSA-N 1 3 284.447 3.300 20 0 CGADHO CCC[N@H+](CC1CC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246534831 804383144 /nfs/dbraw/zinc/38/31/44/804383144.db2.gz ZLTXACNKZIPIGD-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[N@@H+](CC1CC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246534831 804383151 /nfs/dbraw/zinc/38/31/51/804383151.db2.gz ZLTXACNKZIPIGD-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@]1([NH3+])CCN([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531397 804384518 /nfs/dbraw/zinc/38/45/18/804384518.db2.gz QQGBQIQIILJVAI-IKGGRYGDSA-N 1 3 258.409 3.136 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CC[C@](C)([NH3+])C1 ZINC001246535939 804386369 /nfs/dbraw/zinc/38/63/69/804386369.db2.gz QUHBTODDCXOTPJ-SJORKVTESA-N 1 3 260.425 3.211 20 0 CGADHO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCN[C@@H](C)C1 ZINC001246537348 804386701 /nfs/dbraw/zinc/38/67/01/804386701.db2.gz VJZOVYJEOAPMFM-UXLLHSPISA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCN[C@@H](C)C1 ZINC001246537348 804386707 /nfs/dbraw/zinc/38/67/07/804386707.db2.gz VJZOVYJEOAPMFM-UXLLHSPISA-N 1 3 290.451 3.089 20 0 CGADHO C[C@@H]1C[C@@H](N2CCc3ccccc3[C@H]2C)C[C@H](C)[NH2+]1 ZINC001246546624 804395961 /nfs/dbraw/zinc/39/59/61/804395961.db2.gz LDQNZIMOALCSEC-HLPPOEQASA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CCN([C@H]2CCc3c(Cl)cccc3C2)C[C@@H]1C[NH3+] ZINC001246551333 804401390 /nfs/dbraw/zinc/40/13/90/804401390.db2.gz MAVHWXUNOIROPA-SNPRPXQTSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1CN ZINC001246553197 804402131 /nfs/dbraw/zinc/40/21/31/804402131.db2.gz SGDDFYUOLASPOW-BGTYHANMSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1CN ZINC001246553197 804402137 /nfs/dbraw/zinc/40/21/37/804402137.db2.gz SGDDFYUOLASPOW-BGTYHANMSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246563493 804412157 /nfs/dbraw/zinc/41/21/57/804412157.db2.gz KBUXLGPORBYMBQ-TUVASFSCSA-N 1 3 252.446 3.260 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246563493 804412159 /nfs/dbraw/zinc/41/21/59/804412159.db2.gz KBUXLGPORBYMBQ-TUVASFSCSA-N 1 3 252.446 3.260 20 0 CGADHO CC[C@@H](Cc1ccccc1)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246576382 804423034 /nfs/dbraw/zinc/42/30/34/804423034.db2.gz JYCWZAKZOKLBQF-IRXDYDNUSA-N 1 3 278.415 3.161 20 0 CGADHO [NH3+]C[C@H]1CCCCN([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579581 804424731 /nfs/dbraw/zinc/42/47/31/804424731.db2.gz CGCNIZZDTFKIGD-UKRRQHHQSA-N 1 3 292.854 3.258 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246584851 804427895 /nfs/dbraw/zinc/42/78/95/804427895.db2.gz VPNIUDZHLNBKMZ-ROUUACIJSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246584851 804427901 /nfs/dbraw/zinc/42/79/01/804427901.db2.gz VPNIUDZHLNBKMZ-ROUUACIJSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246584850 804428173 /nfs/dbraw/zinc/42/81/73/804428173.db2.gz VPNIUDZHLNBKMZ-QZTJIDSGSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246584850 804428177 /nfs/dbraw/zinc/42/81/77/804428177.db2.gz VPNIUDZHLNBKMZ-QZTJIDSGSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586329 804430244 /nfs/dbraw/zinc/43/02/44/804430244.db2.gz TTWGCIWFWAGDOA-YOEHRIQHSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586329 804430249 /nfs/dbraw/zinc/43/02/49/804430249.db2.gz TTWGCIWFWAGDOA-YOEHRIQHSA-N 1 3 292.854 3.258 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246610304 804444492 /nfs/dbraw/zinc/44/44/92/804444492.db2.gz PEYKNYPZUFGXHZ-HIFRSBDPSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246610304 804444496 /nfs/dbraw/zinc/44/44/96/804444496.db2.gz PEYKNYPZUFGXHZ-HIFRSBDPSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC001246610304 804444499 /nfs/dbraw/zinc/44/44/99/804444499.db2.gz PEYKNYPZUFGXHZ-HIFRSBDPSA-N 1 3 270.486 3.125 20 0 CGADHO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246611372 804444626 /nfs/dbraw/zinc/44/46/26/804444626.db2.gz PFSQAQPDIRYKSY-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H](CC(C)C)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246611372 804444629 /nfs/dbraw/zinc/44/46/29/804444629.db2.gz PFSQAQPDIRYKSY-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246611535 804445306 /nfs/dbraw/zinc/44/53/06/804445306.db2.gz UHUBIIMOMNDMPC-VYDXJSESSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246611535 804445310 /nfs/dbraw/zinc/44/53/10/804445310.db2.gz UHUBIIMOMNDMPC-VYDXJSESSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)=CCC[C@@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246611992 804446670 /nfs/dbraw/zinc/44/66/70/804446670.db2.gz VXWWPJWRDOIRPJ-HZPDHXFCSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246611992 804446674 /nfs/dbraw/zinc/44/66/74/804446674.db2.gz VXWWPJWRDOIRPJ-HZPDHXFCSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246611992 804446679 /nfs/dbraw/zinc/44/66/79/804446679.db2.gz VXWWPJWRDOIRPJ-HZPDHXFCSA-N 1 3 250.430 3.339 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612242 804446895 /nfs/dbraw/zinc/44/68/95/804446895.db2.gz HXVWOLWIORRZDR-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612242 804446899 /nfs/dbraw/zinc/44/68/99/804446899.db2.gz HXVWOLWIORRZDR-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]1CC(N2CCCC[C@]23CC[NH2+]C3)C[C@H](C)C1 ZINC001246641764 804468937 /nfs/dbraw/zinc/46/89/37/804468937.db2.gz FLQGRPIPABXJBQ-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CCCC12CCNCC2 ZINC001246642563 804470891 /nfs/dbraw/zinc/47/08/91/804470891.db2.gz CJFVQAADWLPQMC-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CCCC12CCNCC2 ZINC001246642563 804470898 /nfs/dbraw/zinc/47/08/98/804470898.db2.gz CJFVQAADWLPQMC-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1C[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246644125 804472420 /nfs/dbraw/zinc/47/24/20/804472420.db2.gz JQSVHHXFEQUEMX-QZTJIDSGSA-N 1 3 298.474 3.497 20 0 CGADHO c1ccc(CC2CCC(N3CC[C@@H]4[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246647591 804475108 /nfs/dbraw/zinc/47/51/08/804475108.db2.gz UBSDMHUJPHYLTP-BTRQGYIVSA-N 1 3 284.447 3.224 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@]23CCCNC3)C[C@@H]1C ZINC001246649784 804476917 /nfs/dbraw/zinc/47/69/17/804476917.db2.gz FATVUNBIFQKBIY-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CCCNC3)C[C@@H]1C ZINC001246649784 804476921 /nfs/dbraw/zinc/47/69/21/804476921.db2.gz FATVUNBIFQKBIY-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCCC23CCNCC3)C[C@@H](C)C1 ZINC001246649991 804477116 /nfs/dbraw/zinc/47/71/16/804477116.db2.gz ASYVPMTXZJOOQE-FICVDOATSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCCC23CCNCC3)C[C@@H](C)C1 ZINC001246649991 804477120 /nfs/dbraw/zinc/47/71/20/804477120.db2.gz ASYVPMTXZJOOQE-FICVDOATSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656337 804482556 /nfs/dbraw/zinc/48/25/56/804482556.db2.gz NMXYKIBWLUYMEX-XQQFMLRXSA-N 1 3 278.362 3.039 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001246664745 804486547 /nfs/dbraw/zinc/48/65/47/804486547.db2.gz OREUZBXGGNIVKY-JGGQBBKZSA-N 1 3 278.827 3.084 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001246664745 804486552 /nfs/dbraw/zinc/48/65/52/804486552.db2.gz OREUZBXGGNIVKY-JGGQBBKZSA-N 1 3 278.827 3.084 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@@H+](C1CCCCCCC1)C2 ZINC001246690644 804497888 /nfs/dbraw/zinc/49/78/88/804497888.db2.gz KYBIPEPOZMBTIR-HOTGVXAUSA-N 1 3 268.420 3.123 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690644 804497894 /nfs/dbraw/zinc/49/78/94/804497894.db2.gz KYBIPEPOZMBTIR-HOTGVXAUSA-N 1 3 268.420 3.123 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246774273 804503988 /nfs/dbraw/zinc/50/39/88/804503988.db2.gz FPDFHHNVODUYRX-MSOLQXFVSA-N 1 3 274.452 3.459 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246774273 804503993 /nfs/dbraw/zinc/50/39/93/804503993.db2.gz FPDFHHNVODUYRX-MSOLQXFVSA-N 1 3 274.452 3.459 20 0 CGADHO CCCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C)C1 ZINC001246771285 804504782 /nfs/dbraw/zinc/50/47/82/804504782.db2.gz XWIZBVUERVJOOD-RDJZCZTQSA-N 1 3 260.425 3.429 20 0 CGADHO CCCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C)C1 ZINC001246771285 804504785 /nfs/dbraw/zinc/50/47/85/804504785.db2.gz XWIZBVUERVJOOD-RDJZCZTQSA-N 1 3 260.425 3.429 20 0 CGADHO CCCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246771285 804504789 /nfs/dbraw/zinc/50/47/89/804504789.db2.gz XWIZBVUERVJOOD-RDJZCZTQSA-N 1 3 260.425 3.429 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246774484 804504888 /nfs/dbraw/zinc/50/48/88/804504888.db2.gz GERVQQHWHAZRJZ-QRVBRYPASA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246774484 804504891 /nfs/dbraw/zinc/50/48/91/804504891.db2.gz GERVQQHWHAZRJZ-QRVBRYPASA-N 1 3 286.463 3.472 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246778348 804506449 /nfs/dbraw/zinc/50/64/49/804506449.db2.gz ULSVZWNJBXBLJK-ZWKOTPCHSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246778348 804506454 /nfs/dbraw/zinc/50/64/54/804506454.db2.gz ULSVZWNJBXBLJK-ZWKOTPCHSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@H]1CCCC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246787471 804511271 /nfs/dbraw/zinc/51/12/71/804511271.db2.gz CXOWJKZRAPHMPJ-LSDHHAIUSA-N 1 3 250.430 3.316 20 0 CGADHO CCC[C@H]1CCCC[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246787471 804511275 /nfs/dbraw/zinc/51/12/75/804511275.db2.gz CXOWJKZRAPHMPJ-LSDHHAIUSA-N 1 3 250.430 3.316 20 0 CGADHO COc1ccccc1[C@@H]1CCCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246791069 804513688 /nfs/dbraw/zinc/51/36/88/804513688.db2.gz JEELNKAYQWBSFF-IVSAIRAKSA-N 1 3 288.435 3.361 20 0 CGADHO C[C@@H]1CC([N@@H+]2CC[C@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246791839 804515459 /nfs/dbraw/zinc/51/54/59/804515459.db2.gz MUFXNWDEBBQAQG-BFYDXBDKSA-N 1 3 272.436 3.080 20 0 CGADHO C[C@@H]1CC([N@H+]2CC[C@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246791839 804515464 /nfs/dbraw/zinc/51/54/64/804515464.db2.gz MUFXNWDEBBQAQG-BFYDXBDKSA-N 1 3 272.436 3.080 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822663 804536709 /nfs/dbraw/zinc/53/67/09/804536709.db2.gz MIZQSLDOJJEIQE-HFTRVMKXSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246822663 804536712 /nfs/dbraw/zinc/53/67/12/804536712.db2.gz MIZQSLDOJJEIQE-HFTRVMKXSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246822663 804536716 /nfs/dbraw/zinc/53/67/16/804536716.db2.gz MIZQSLDOJJEIQE-HFTRVMKXSA-N 1 3 288.435 3.363 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246828980 804538989 /nfs/dbraw/zinc/53/89/89/804538989.db2.gz UNZDQOZJPDRRJB-KDOFPFPSSA-N 1 3 290.426 3.221 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246837504 804545710 /nfs/dbraw/zinc/54/57/10/804545710.db2.gz USYFTDKTVQYIAM-JKSUJKDBSA-N 1 3 284.488 3.292 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246837504 804545713 /nfs/dbraw/zinc/54/57/13/804545713.db2.gz USYFTDKTVQYIAM-JKSUJKDBSA-N 1 3 284.488 3.292 20 0 CGADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246841879 804550828 /nfs/dbraw/zinc/55/08/28/804550828.db2.gz PHHVPFNXLFLUDB-HIFRSBDPSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001246844612 804553837 /nfs/dbraw/zinc/55/38/37/804553837.db2.gz ZSWJPPWMFIQCPN-UONOGXRCSA-N 1 3 280.843 3.202 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246845794 804554358 /nfs/dbraw/zinc/55/43/58/804554358.db2.gz LXSRINKTYKMMLS-ILXRZTDVSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246845794 804554364 /nfs/dbraw/zinc/55/43/64/804554364.db2.gz LXSRINKTYKMMLS-ILXRZTDVSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850234 804559685 /nfs/dbraw/zinc/55/96/85/804559685.db2.gz INUPMCRATMKHEO-INWMFGNUSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850234 804559691 /nfs/dbraw/zinc/55/96/91/804559691.db2.gz INUPMCRATMKHEO-INWMFGNUSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@@H](N2CC[C@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850234 804559697 /nfs/dbraw/zinc/55/96/97/804559697.db2.gz INUPMCRATMKHEO-INWMFGNUSA-N 1 3 278.827 3.270 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246869896 804571394 /nfs/dbraw/zinc/57/13/94/804571394.db2.gz XHBUVVHJWNJUBC-LXZKKBNFSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246869896 804571396 /nfs/dbraw/zinc/57/13/96/804571396.db2.gz XHBUVVHJWNJUBC-LXZKKBNFSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H]1c2ccccc2CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246869896 804571399 /nfs/dbraw/zinc/57/13/99/804571399.db2.gz XHBUVVHJWNJUBC-LXZKKBNFSA-N 1 3 258.409 3.136 20 0 CGADHO C([C@H]1CCCNC1)[NH+](C1CCCC1)C1CCCC1 ZINC001246938975 804609830 /nfs/dbraw/zinc/60/98/30/804609830.db2.gz QVVLBHXCONGYES-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO COc1ccsc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001141324306 804631371 /nfs/dbraw/zinc/63/13/71/804631371.db2.gz BIGXDHFFGQOUMA-UHFFFAOYSA-N 1 3 296.480 3.309 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C[C@@H](C)N1 ZINC001246998075 804633428 /nfs/dbraw/zinc/63/34/28/804633428.db2.gz ABOAZQURDPUBPJ-CKEIUWERSA-N 1 3 290.426 3.362 20 0 CGADHO C[C@@H]1CC([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C[C@@H](C)N1 ZINC001246998075 804633433 /nfs/dbraw/zinc/63/34/33/804633433.db2.gz ABOAZQURDPUBPJ-CKEIUWERSA-N 1 3 290.426 3.362 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005526 804637842 /nfs/dbraw/zinc/63/78/42/804637842.db2.gz SDRJQBIBVYVWCI-KURKYZTESA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005526 804637844 /nfs/dbraw/zinc/63/78/44/804637844.db2.gz SDRJQBIBVYVWCI-KURKYZTESA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1C[C@H](C)O[C@@H](C)C1 ZINC001257083118 807047428 /nfs/dbraw/zinc/04/74/28/807047428.db2.gz FSDAHQRCOAXFGY-PMPSAXMXSA-N 1 3 290.451 3.039 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1C[C@H](C)O[C@@H](C)C1 ZINC001257083118 807047432 /nfs/dbraw/zinc/04/74/32/807047432.db2.gz FSDAHQRCOAXFGY-PMPSAXMXSA-N 1 3 290.451 3.039 20 0 CGADHO CCC[C@@H](C)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001257312321 807101370 /nfs/dbraw/zinc/10/13/70/807101370.db2.gz CFDYGGWLVXSJJQ-CQSZACIVSA-N 1 3 276.424 3.134 20 0 CGADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cs1 ZINC001167963825 807287558 /nfs/dbraw/zinc/28/75/58/807287558.db2.gz FMVBDZSEFIWBKV-ALOPSCKCSA-N 1 3 290.476 3.286 20 0 CGADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cs1 ZINC001167963825 807287564 /nfs/dbraw/zinc/28/75/64/807287564.db2.gz FMVBDZSEFIWBKV-ALOPSCKCSA-N 1 3 290.476 3.286 20 0 CGADHO C[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981791 807289603 /nfs/dbraw/zinc/28/96/03/807289603.db2.gz KGDAVFYDRCJXIG-JTUUTPGSSA-N 1 3 262.441 3.266 20 0 CGADHO C[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167981791 807289609 /nfs/dbraw/zinc/28/96/09/807289609.db2.gz KGDAVFYDRCJXIG-JTUUTPGSSA-N 1 3 262.441 3.266 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995109 807294824 /nfs/dbraw/zinc/29/48/24/807294824.db2.gz WQMRIBGOUXJCTH-KSTANIPCSA-N 1 3 276.468 3.370 20 0 CGADHO C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2(CC2)C1 ZINC001168003234 807297118 /nfs/dbraw/zinc/29/71/18/807297118.db2.gz LEUMQYBTLJYKGP-KTFSGNIMSA-N 1 3 274.452 3.266 20 0 CGADHO C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2(CC2)C1 ZINC001168003234 807297122 /nfs/dbraw/zinc/29/71/22/807297122.db2.gz LEUMQYBTLJYKGP-KTFSGNIMSA-N 1 3 274.452 3.266 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@@H](C)C1 ZINC001258161699 807330117 /nfs/dbraw/zinc/33/01/17/807330117.db2.gz SZMMUZRBDXLMGJ-IJTOGUNISA-N 1 3 294.483 3.044 20 0 CGADHO CC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168191493 807343319 /nfs/dbraw/zinc/34/33/19/807343319.db2.gz FUKZHTWHXDKSPT-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO CC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168191493 807343328 /nfs/dbraw/zinc/34/33/28/807343328.db2.gz FUKZHTWHXDKSPT-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO CSCC[C@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001258209402 807366736 /nfs/dbraw/zinc/36/67/36/807366736.db2.gz OZYBQPBNPWNLCZ-ZDUSSCGKSA-N 1 3 270.486 3.112 20 0 CGADHO CSCC[C@@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001258222228 807372378 /nfs/dbraw/zinc/37/23/78/807372378.db2.gz MBJYDXMYFOVLRZ-CYBMUJFWSA-N 1 3 288.476 3.026 20 0 CGADHO CN(CCc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168370947 807397490 /nfs/dbraw/zinc/39/74/90/807397490.db2.gz IYZWVNXYPWFWPC-UHFFFAOYSA-N 1 3 272.436 3.035 20 0 CGADHO CCCCC[C@@H](CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258439713 807451900 /nfs/dbraw/zinc/45/19/00/807451900.db2.gz LWNFCWKQOGDPRU-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO CCCCC[C@@H](CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258439713 807451904 /nfs/dbraw/zinc/45/19/04/807451904.db2.gz LWNFCWKQOGDPRU-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697507 807551793 /nfs/dbraw/zinc/55/17/93/807551793.db2.gz QUTFVZCAHJRCQE-LVQVYYBASA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697507 807551796 /nfs/dbraw/zinc/55/17/96/807551796.db2.gz QUTFVZCAHJRCQE-LVQVYYBASA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001169100965 807575816 /nfs/dbraw/zinc/57/58/16/807575816.db2.gz NCBAASGWWMRHKP-VPKNTQAGSA-N 1 3 270.420 3.450 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100965 807575822 /nfs/dbraw/zinc/57/58/22/807575822.db2.gz NCBAASGWWMRHKP-VPKNTQAGSA-N 1 3 270.420 3.450 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH+]1CCC(N)(CCOC)CC1 ZINC001258788020 807613138 /nfs/dbraw/zinc/61/31/38/807613138.db2.gz YFSVXEMQDVGLFN-LSDHHAIUSA-N 1 3 270.461 3.031 20 0 CGADHO Cc1ccc(-c2ccc(N[C@@H](N)CCC[NH3+])cc2)cc1 ZINC001170899020 807928558 /nfs/dbraw/zinc/92/85/58/807928558.db2.gz GWJBXXWBRHLZCU-QGZVFWFLSA-N 1 3 269.392 3.098 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171332456 808029283 /nfs/dbraw/zinc/02/92/83/808029283.db2.gz GMSUZYSMTXHXJJ-HNNXBMFYSA-N 1 3 296.405 3.144 20 0 CGADHO CN1C(C)(C)CC([NH+]2CCC(F)(F)CC2)CC1(C)C ZINC001171628646 808108457 /nfs/dbraw/zinc/10/84/57/808108457.db2.gz FBLIXXYIMKVOAP-UHFFFAOYSA-N 1 3 274.399 3.369 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC1(F)CCCCC1)C2 ZINC001172100137 808171324 /nfs/dbraw/zinc/17/13/24/808171324.db2.gz PIKFMQSIMRWEPJ-QKDCVEJESA-N 1 3 268.420 3.264 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC1(F)CCCCC1)C2 ZINC001172100137 808171325 /nfs/dbraw/zinc/17/13/25/808171325.db2.gz PIKFMQSIMRWEPJ-QKDCVEJESA-N 1 3 268.420 3.264 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)CCCCC1)C2 ZINC001172100137 808171329 /nfs/dbraw/zinc/17/13/29/808171329.db2.gz PIKFMQSIMRWEPJ-QKDCVEJESA-N 1 3 268.420 3.264 20 0 CGADHO Cc1ccccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098875 808172942 /nfs/dbraw/zinc/17/29/42/808172942.db2.gz CXDHLTUHRKQTHF-BJWYYQGGSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1ccccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098875 808172947 /nfs/dbraw/zinc/17/29/47/808172947.db2.gz CXDHLTUHRKQTHF-BJWYYQGGSA-N 1 3 258.409 3.100 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3sccc31)C2 ZINC001172110035 808178456 /nfs/dbraw/zinc/17/84/56/808178456.db2.gz ITTSOTVQVVBEAT-GUIRCDHDSA-N 1 3 276.449 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3sccc31)C2 ZINC001172110035 808178457 /nfs/dbraw/zinc/17/84/57/808178457.db2.gz ITTSOTVQVVBEAT-GUIRCDHDSA-N 1 3 276.449 3.340 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3ccncc31)C2 ZINC001172113556 808180013 /nfs/dbraw/zinc/18/00/13/808180013.db2.gz KHPJTYTXYMHUNO-CUSZFKRNSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3ccncc31)C2 ZINC001172113556 808180018 /nfs/dbraw/zinc/18/00/18/808180018.db2.gz KHPJTYTXYMHUNO-CUSZFKRNSA-N 1 3 285.435 3.064 20 0 CGADHO Cc1cccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172113755 808180881 /nfs/dbraw/zinc/18/08/81/808180881.db2.gz LKKUSWKXVWEMQJ-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1cccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172113755 808180884 /nfs/dbraw/zinc/18/08/84/808180884.db2.gz LKKUSWKXVWEMQJ-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO CC(C)[NH+]1CCC(N[C@@H]2CSc3ccccc3C2)CC1 ZINC001172189290 808192726 /nfs/dbraw/zinc/19/27/26/808192726.db2.gz DPYJOPMIEWWCEO-INIZCTEOSA-N 1 3 290.476 3.166 20 0 CGADHO CC(C)COCC[C@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001172467579 808336246 /nfs/dbraw/zinc/33/62/46/808336246.db2.gz LWIYEGVTGFMEFY-INIZCTEOSA-N 1 3 296.499 3.421 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039647 808497000 /nfs/dbraw/zinc/49/70/00/808497000.db2.gz POOCWVCEKLQJGN-UHFFFAOYSA-N 1 3 296.499 3.437 20 0 CGADHO CCSC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001173292815 808592341 /nfs/dbraw/zinc/59/23/41/808592341.db2.gz RHFNJCZNQOFJDT-CYBMUJFWSA-N 1 3 258.475 3.112 20 0 CGADHO CCSC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001173292815 808592344 /nfs/dbraw/zinc/59/23/44/808592344.db2.gz RHFNJCZNQOFJDT-CYBMUJFWSA-N 1 3 258.475 3.112 20 0 CGADHO CCCC[N@H+](C)CCCNC1Cc2cc(F)c(F)cc2C1 ZINC001173475255 808643565 /nfs/dbraw/zinc/64/35/65/808643565.db2.gz MMRUNBNVMVOZRR-UHFFFAOYSA-N 1 3 296.405 3.144 20 0 CGADHO CCCC[N@@H+](C)CCCNC1Cc2cc(F)c(F)cc2C1 ZINC001173475255 808643569 /nfs/dbraw/zinc/64/35/69/808643569.db2.gz MMRUNBNVMVOZRR-UHFFFAOYSA-N 1 3 296.405 3.144 20 0 CGADHO CC(C)CN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275056400 808902218 /nfs/dbraw/zinc/90/22/18/808902218.db2.gz RYPDUGMIAKBOIU-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO CC(C)CN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275056400 808902224 /nfs/dbraw/zinc/90/22/24/808902224.db2.gz RYPDUGMIAKBOIU-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO CCC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001275103608 808909310 /nfs/dbraw/zinc/90/93/10/808909310.db2.gz MWFGFNVBHHYKGQ-UHFFFAOYSA-N 1 3 278.362 3.137 20 0 CGADHO C[N@@H+]1CCCC2(CCN(Cc3cccc(F)c3)CC2)C1 ZINC001275298541 808927150 /nfs/dbraw/zinc/92/71/50/808927150.db2.gz QVBWVEYPQWKILR-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO C[N@H+]1CCCC2(CCN(Cc3cccc(F)c3)CC2)C1 ZINC001275298541 808927155 /nfs/dbraw/zinc/92/71/55/808927155.db2.gz QVBWVEYPQWKILR-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO FC(F)(F)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C1CC1)C2 ZINC001277921720 809105072 /nfs/dbraw/zinc/10/50/72/809105072.db2.gz FUBDIHTXWVLJRA-CQSZACIVSA-N 1 3 290.373 3.279 20 0 CGADHO FC(F)(F)CCC[N@H+]1CC[C@@]2(C1)CCCN(C1CC1)C2 ZINC001277921720 809105077 /nfs/dbraw/zinc/10/50/77/809105077.db2.gz FUBDIHTXWVLJRA-CQSZACIVSA-N 1 3 290.373 3.279 20 0 CGADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]3CC2)c1 ZINC001277930385 809106139 /nfs/dbraw/zinc/10/61/39/809106139.db2.gz HCGQTKPOHNZZBL-IYBDPMFKSA-N 1 3 287.451 3.101 20 0 CGADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]3CC2)c1 ZINC001277930385 809106142 /nfs/dbraw/zinc/10/61/42/809106142.db2.gz HCGQTKPOHNZZBL-IYBDPMFKSA-N 1 3 287.451 3.101 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4ccccc4s3)[C@H]2C1 ZINC001179817670 809948352 /nfs/dbraw/zinc/94/83/52/809948352.db2.gz RHWREYAXVVBKSA-CWRNSKLLSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3cc4ccccc4s3)[C@H]2C1 ZINC001179817670 809948357 /nfs/dbraw/zinc/94/83/57/809948357.db2.gz RHWREYAXVVBKSA-CWRNSKLLSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3cc4ccccc4s3)[C@H]2C1 ZINC001179817670 809948360 /nfs/dbraw/zinc/94/83/60/809948360.db2.gz RHWREYAXVVBKSA-CWRNSKLLSA-N 1 3 286.444 3.331 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2(OC)CCCCCC2)C1 ZINC001179855674 809950605 /nfs/dbraw/zinc/95/06/05/809950605.db2.gz YYDXEBHSKXVFSF-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2(OC)CCCCCC2)C1 ZINC001179855674 809950606 /nfs/dbraw/zinc/95/06/06/809950606.db2.gz YYDXEBHSKXVFSF-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO COC1(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CCCCCC1 ZINC001179918579 809958056 /nfs/dbraw/zinc/95/80/56/809958056.db2.gz CTYXDVFKXXYCJG-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO COC1(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CCCCCC1 ZINC001179918579 809958060 /nfs/dbraw/zinc/95/80/60/809958060.db2.gz CTYXDVFKXXYCJG-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO C(C[N@H+]1CCCC[C@H]1CCN1CCCC1)C1CCOCC1 ZINC001202660535 812148029 /nfs/dbraw/zinc/14/80/29/812148029.db2.gz GTALIGSERWUJII-SFHVURJKSA-N 1 3 294.483 3.144 20 0 CGADHO C(C[N@@H+]1CCCC[C@H]1CCN1CCCC1)C1CCOCC1 ZINC001202660535 812148036 /nfs/dbraw/zinc/14/80/36/812148036.db2.gz GTALIGSERWUJII-SFHVURJKSA-N 1 3 294.483 3.144 20 0 CGADHO CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001204089876 812546638 /nfs/dbraw/zinc/54/66/38/812546638.db2.gz SEGCLEKQLDIHKC-RYQLBKOJSA-N 1 3 272.436 3.240 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CCCCCc2ccccc2)C1 ZINC001205009254 812822182 /nfs/dbraw/zinc/82/21/82/812822182.db2.gz LEEGEVYQSPYCOS-GOSISDBHSA-N 1 3 274.452 3.331 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093881 812858217 /nfs/dbraw/zinc/85/82/17/812858217.db2.gz HFTRHHMZCJSGRR-QGZVFWFLSA-N 1 3 260.425 3.166 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@H](N)CC1 ZINC001205095584 812860726 /nfs/dbraw/zinc/86/07/26/812860726.db2.gz ZQTWIFDYWPMNNM-CVEARBPZSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@H](N)CC1 ZINC001205095584 812860736 /nfs/dbraw/zinc/86/07/36/812860736.db2.gz ZQTWIFDYWPMNNM-CVEARBPZSA-N 1 3 284.488 3.421 20 0 CGADHO CC(C)(C)c1cccc(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109328 812871742 /nfs/dbraw/zinc/87/17/42/812871742.db2.gz FPKBKOKOQMYSAQ-MRXNPFEDSA-N 1 3 260.425 3.297 20 0 CGADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205264299 812922522 /nfs/dbraw/zinc/92/25/22/812922522.db2.gz JJTNCJMJSNYJIZ-GOSISDBHSA-N 1 3 298.434 3.088 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2coc3ccccc23)CC1 ZINC001205274607 812926452 /nfs/dbraw/zinc/92/64/52/812926452.db2.gz YQUYTTDWCWYBGG-MRXNPFEDSA-N 1 3 258.365 3.136 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1CCNCC[C@@H]1C ZINC001205325428 812955687 /nfs/dbraw/zinc/95/56/87/812955687.db2.gz MZHGQYGDPRQIJP-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1CCNCC[C@@H]1C ZINC001205325428 812955691 /nfs/dbraw/zinc/95/56/91/812955691.db2.gz MZHGQYGDPRQIJP-LBPRGKRZSA-N 1 3 274.433 3.394 20 0 CGADHO CO[C@@H](CNCC[C@H](C)[NH+]1CCCCC1)C1CCCCC1 ZINC001205390546 812976945 /nfs/dbraw/zinc/97/69/45/812976945.db2.gz AASLZKYLMSPJCA-WMZOPIPTSA-N 1 3 296.499 3.436 20 0 CGADHO CO[C@@H](C[NH2+]CC[C@H](C)N1CCCCC1)C1CCCCC1 ZINC001205390546 812976952 /nfs/dbraw/zinc/97/69/52/812976952.db2.gz AASLZKYLMSPJCA-WMZOPIPTSA-N 1 3 296.499 3.436 20 0 CGADHO CO[C@H](CNCC[C@@H](C)[NH+]1CCCCC1)C1CCCCC1 ZINC001205390545 812977253 /nfs/dbraw/zinc/97/72/53/812977253.db2.gz AASLZKYLMSPJCA-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO CO[C@H](C[NH2+]CC[C@@H](C)N1CCCCC1)C1CCCCC1 ZINC001205390545 812977259 /nfs/dbraw/zinc/97/72/59/812977259.db2.gz AASLZKYLMSPJCA-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)CC[C@H]1C[NH3+] ZINC001205601963 813017067 /nfs/dbraw/zinc/01/70/67/813017067.db2.gz HEROAGWYNRFSMC-ZBFHGGJFSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205627385 813031542 /nfs/dbraw/zinc/03/15/42/813031542.db2.gz OWQFOMMHHVEUEI-AAEUAGOBSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C(F)(F)F)o2)CC[C@@H]1C[NH3+] ZINC001205639554 813039232 /nfs/dbraw/zinc/03/92/32/813039232.db2.gz ZXNTXBGYQYRBNW-GHMZBOCLSA-N 1 3 290.329 3.105 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@H](CN)[C@H]2C)C1(C)C ZINC001205903965 813126144 /nfs/dbraw/zinc/12/61/44/813126144.db2.gz SHSFXMKHINFBBT-BZUAXINKSA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@H](CN)[C@H]2C)C1(C)C ZINC001205903965 813126147 /nfs/dbraw/zinc/12/61/47/813126147.db2.gz SHSFXMKHINFBBT-BZUAXINKSA-N 1 3 264.457 3.428 20 0 CGADHO CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@@H](N)C3)ccc2c1 ZINC001205931814 813139435 /nfs/dbraw/zinc/13/94/35/813139435.db2.gz LPLXEWDEWOEBMT-GOSISDBHSA-N 1 3 297.446 3.219 20 0 CGADHO CN(C)c1ccc2cc(C[N@H+]3CCCC[C@@H](N)C3)ccc2c1 ZINC001205931814 813139441 /nfs/dbraw/zinc/13/94/41/813139441.db2.gz LPLXEWDEWOEBMT-GOSISDBHSA-N 1 3 297.446 3.219 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187487 813232488 /nfs/dbraw/zinc/23/24/88/813232488.db2.gz TYCALKLWOGFTAL-QZTJIDSGSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@H]1F ZINC001206187487 813232492 /nfs/dbraw/zinc/23/24/92/813232492.db2.gz TYCALKLWOGFTAL-QZTJIDSGSA-N 1 3 299.393 3.010 20 0 CGADHO CC(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)cc1 ZINC001206343351 813295678 /nfs/dbraw/zinc/29/56/78/813295678.db2.gz FHJYGQXLRXKUDX-QGZVFWFLSA-N 1 3 278.415 3.463 20 0 CGADHO CC(C)c1ccc(C[N@H+]2CCCC[C@@](F)(CN)C2)cc1 ZINC001206343351 813295685 /nfs/dbraw/zinc/29/56/85/813295685.db2.gz FHJYGQXLRXKUDX-QGZVFWFLSA-N 1 3 278.415 3.463 20 0 CGADHO CC(C)Oc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206549834 813348285 /nfs/dbraw/zinc/34/82/85/813348285.db2.gz QNSUKEQMIBQMDA-SFHVURJKSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(-n3cccc3)cc2)C1 ZINC001206563859 813355614 /nfs/dbraw/zinc/35/56/14/813355614.db2.gz IUZYICJCPBANPU-LJQANCHMSA-N 1 3 297.446 3.428 20 0 CGADHO Cc1cc(F)ccc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589526 813366066 /nfs/dbraw/zinc/36/60/66/813366066.db2.gz HTRNAZKCUPSGRL-KRWDZBQOSA-N 1 3 278.415 3.487 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606341 813372923 /nfs/dbraw/zinc/37/29/23/813372923.db2.gz LJJARFOIODCCTJ-CVEARBPZSA-N 1 3 284.488 3.015 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606341 813372930 /nfs/dbraw/zinc/37/29/30/813372930.db2.gz LJJARFOIODCCTJ-CVEARBPZSA-N 1 3 284.488 3.015 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001207282016 813533890 /nfs/dbraw/zinc/53/38/90/813533890.db2.gz CCSMLOJQTJMBLX-HNNXBMFYSA-N 1 3 278.415 3.203 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001207282016 813533891 /nfs/dbraw/zinc/53/38/91/813533891.db2.gz CCSMLOJQTJMBLX-HNNXBMFYSA-N 1 3 278.415 3.203 20 0 CGADHO F[C@H]1CCCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291502 813536122 /nfs/dbraw/zinc/53/61/22/813536122.db2.gz QDZJUXXQEPEORH-SFHVURJKSA-N 1 3 290.426 3.333 20 0 CGADHO CCN(Cc1ccccc1F)CC1CC[NH+](CC)CC1 ZINC001208601390 813771398 /nfs/dbraw/zinc/77/13/98/813771398.db2.gz NANYYTLMQONUTR-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO CC1(F)CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947691 813909030 /nfs/dbraw/zinc/90/90/30/813909030.db2.gz LYQUTARFKBZLPP-QGZVFWFLSA-N 1 3 290.426 3.333 20 0 CGADHO CC1(F)CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947691 813909035 /nfs/dbraw/zinc/90/90/35/813909035.db2.gz LYQUTARFKBZLPP-QGZVFWFLSA-N 1 3 290.426 3.333 20 0 CGADHO C[C@@H]1CC(CN2CCC([NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC001209380556 814007043 /nfs/dbraw/zinc/00/70/43/814007043.db2.gz XUDIATGZEMSCPJ-HZPDHXFCSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1CC(C[NH+]2CCC(N3CCCCC3)CC2)C[C@@H](C)O1 ZINC001209380556 814007050 /nfs/dbraw/zinc/00/70/50/814007050.db2.gz XUDIATGZEMSCPJ-HZPDHXFCSA-N 1 3 294.483 3.140 20 0 CGADHO CN(C)Cc1c(O[C@H]2CCC[NH2+]CC2)ccc2ccccc21 ZINC001217996257 816041678 /nfs/dbraw/zinc/04/16/78/816041678.db2.gz YUUZXJPUYKFNPO-INIZCTEOSA-N 1 3 298.430 3.422 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142221 816359646 /nfs/dbraw/zinc/35/96/46/816359646.db2.gz XYBIKRBFSPWCIJ-AEFFLSMTSA-N 1 3 296.499 3.029 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142221 816359653 /nfs/dbraw/zinc/35/96/53/816359653.db2.gz XYBIKRBFSPWCIJ-AEFFLSMTSA-N 1 3 296.499 3.029 20 0 CGADHO Clc1cccc2[nH]cc(CN3CCC4(C[NH2+]C4)CC3)c21 ZINC001222204403 816374602 /nfs/dbraw/zinc/37/46/02/816374602.db2.gz YZGYAPQUJYBIDS-UHFFFAOYSA-N 1 3 289.810 3.007 20 0 CGADHO CCc1cc(CN2CCC3(C[NH2+]C3)CC2)ccc1Cl ZINC001222207696 816375243 /nfs/dbraw/zinc/37/52/43/816375243.db2.gz DIRNNCRZVFTROH-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222230846 816379888 /nfs/dbraw/zinc/37/98/88/816379888.db2.gz FEVBOAXXUXBAFP-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CCC[C@]12CCCNC2 ZINC001222230846 816379894 /nfs/dbraw/zinc/37/98/94/816379894.db2.gz FEVBOAXXUXBAFP-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO C(CC1CCCC1)CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222259462 816389930 /nfs/dbraw/zinc/38/99/30/816389930.db2.gz QLIKHASLEPIPKR-KRWDZBQOSA-N 1 3 264.457 3.422 20 0 CGADHO CC(C)=CCC[C@H](C)CCN1CC2CC1(C[NH3+])C2 ZINC001235006087 818975798 /nfs/dbraw/zinc/97/57/98/818975798.db2.gz DNLWFFULLJFNPR-FHERZECASA-N 1 3 250.430 3.182 20 0 CGADHO c1ccc(CCCCCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235033122 818985201 /nfs/dbraw/zinc/98/52/01/818985201.db2.gz UALVGXXFYBEJRH-SFHVURJKSA-N 1 3 272.436 3.085 20 0 CGADHO Cc1ccccc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235039742 818987777 /nfs/dbraw/zinc/98/77/77/818987777.db2.gz HXMLWPFDDGWPOR-QGZVFWFLSA-N 1 3 258.409 3.103 20 0 CGADHO C(C[N@@H+]1CCCC[C@]12CCCNC2)C1CCCC1 ZINC001235175512 819024764 /nfs/dbraw/zinc/02/47/64/819024764.db2.gz WVYNNUQJPDCZNX-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO C(C[N@H+]1CCCC[C@]12CCCNC2)C1CCCC1 ZINC001235175512 819024769 /nfs/dbraw/zinc/02/47/69/819024769.db2.gz WVYNNUQJPDCZNX-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO Fc1ccccc1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232065 819041446 /nfs/dbraw/zinc/04/14/46/819041446.db2.gz GUVJMPAEGVYFBV-KRWDZBQOSA-N 1 3 276.399 3.180 20 0 CGADHO Cc1cc(CN2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001235342524 819072485 /nfs/dbraw/zinc/07/24/85/819072485.db2.gz WPJVVXGVTANXNY-LLVKDONJSA-N 1 3 299.245 3.343 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1 ZINC001235406817 819087339 /nfs/dbraw/zinc/08/73/39/819087339.db2.gz RBEQMXHNWXKJSS-MSOLQXFVSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)c(C)c1 ZINC001235406817 819087344 /nfs/dbraw/zinc/08/73/44/819087344.db2.gz RBEQMXHNWXKJSS-MSOLQXFVSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)c(C)c1 ZINC001235406817 819087350 /nfs/dbraw/zinc/08/73/50/819087350.db2.gz RBEQMXHNWXKJSS-MSOLQXFVSA-N 1 3 290.426 3.135 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@H](CN)C2)C1(C)C ZINC001235673580 819133570 /nfs/dbraw/zinc/13/35/70/819133570.db2.gz OVNGKRSZORJFKC-HUUCEWRRSA-N 1 3 250.430 3.040 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@H](CN)C2)C1(C)C ZINC001235673580 819133574 /nfs/dbraw/zinc/13/35/74/819133574.db2.gz OVNGKRSZORJFKC-HUUCEWRRSA-N 1 3 250.430 3.040 20 0 CGADHO C[NH2+]CC1CCN(Cc2c(Cl)cccc2SC)CC1 ZINC001235678838 819138196 /nfs/dbraw/zinc/13/81/96/819138196.db2.gz GMJWGRZARVJHCV-UHFFFAOYSA-N 1 3 298.883 3.493 20 0 CGADHO Fc1cccc([C@@H]2CC[N@H+](Cc3ccc4c(c3)CNC4)C2)c1 ZINC001235934249 819230858 /nfs/dbraw/zinc/23/08/58/819230858.db2.gz KTFBMOLYMVPBNF-QGZVFWFLSA-N 1 3 296.389 3.418 20 0 CGADHO Fc1cccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CNC4)C2)c1 ZINC001235934249 819230865 /nfs/dbraw/zinc/23/08/65/819230865.db2.gz KTFBMOLYMVPBNF-QGZVFWFLSA-N 1 3 296.389 3.418 20 0 CGADHO N[C@@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989717 819262806 /nfs/dbraw/zinc/26/28/06/819262806.db2.gz JOTNJSOTRHKKHT-QFBILLFUSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989717 819262814 /nfs/dbraw/zinc/26/28/14/819262814.db2.gz JOTNJSOTRHKKHT-QFBILLFUSA-N 1 3 296.389 3.416 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045056 819282147 /nfs/dbraw/zinc/28/21/47/819282147.db2.gz RVUGKJUXEXYZKO-XTBFLFJDSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045056 819282152 /nfs/dbraw/zinc/28/21/52/819282152.db2.gz RVUGKJUXEXYZKO-XTBFLFJDSA-N 1 3 278.827 3.113 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236061488 819293383 /nfs/dbraw/zinc/29/33/83/819293383.db2.gz YNFLFMGRCKACFM-DOTOQJQBSA-N 1 3 288.435 3.110 20 0 CGADHO [NH3+]CCCCN1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001236154981 819348848 /nfs/dbraw/zinc/34/88/48/819348848.db2.gz FLFCZPCVNMTCJG-DOMZBBRYSA-N 1 3 299.245 3.306 20 0 CGADHO Cc1ccc2c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)c[nH]c2c1 ZINC001236210487 819372671 /nfs/dbraw/zinc/37/26/71/819372671.db2.gz CWSVIIAKVIBUGP-DOTOQJQBSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2c(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)c[nH]c2c1 ZINC001236210487 819372675 /nfs/dbraw/zinc/37/26/75/819372675.db2.gz CWSVIIAKVIBUGP-DOTOQJQBSA-N 1 3 271.408 3.178 20 0 CGADHO CC(C)c1cccc(CN(C)C2(C)CC[NH2+]CC2)c1 ZINC001236225755 819390445 /nfs/dbraw/zinc/39/04/45/819390445.db2.gz FKYALNLMBCTXDX-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)c1cccc(C[N@H+](C)C2(C)CCNCC2)c1 ZINC001236225755 819390448 /nfs/dbraw/zinc/39/04/48/819390448.db2.gz FKYALNLMBCTXDX-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)c1cccc(C[N@@H+](C)C2(C)CCNCC2)c1 ZINC001236225755 819390452 /nfs/dbraw/zinc/39/04/52/819390452.db2.gz FKYALNLMBCTXDX-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC(C)(C)C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236370390 819439012 /nfs/dbraw/zinc/43/90/12/819439012.db2.gz FEAIZIBPBBAVRF-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)(C)C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236370390 819439018 /nfs/dbraw/zinc/43/90/18/819439018.db2.gz FEAIZIBPBBAVRF-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO Nc1cccc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236376085 819442687 /nfs/dbraw/zinc/44/26/87/819442687.db2.gz OYYKHALNUNWAMU-MRXNPFEDSA-N 1 3 287.451 3.013 20 0 CGADHO Nc1cccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)c1 ZINC001236376085 819442691 /nfs/dbraw/zinc/44/26/91/819442691.db2.gz OYYKHALNUNWAMU-MRXNPFEDSA-N 1 3 287.451 3.013 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001236409214 819455938 /nfs/dbraw/zinc/45/59/38/819455938.db2.gz ZBROZQPPMHVHTO-KRWDZBQOSA-N 1 3 286.463 3.430 20 0 CGADHO Cc1cc(F)cc(C[N@@H+](CC(C)C)C2CCNCC2)c1 ZINC001236481313 819496551 /nfs/dbraw/zinc/49/65/51/819496551.db2.gz PXINSCZAWAMEKN-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO Cc1cc(F)cc(C[N@H+](CC(C)C)C2CCNCC2)c1 ZINC001236481313 819496554 /nfs/dbraw/zinc/49/65/54/819496554.db2.gz PXINSCZAWAMEKN-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO Cc1cc(F)cc(CN(CC(C)C)C2CC[NH2+]CC2)c1 ZINC001236481313 819496558 /nfs/dbraw/zinc/49/65/58/819496558.db2.gz PXINSCZAWAMEKN-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO c1cc2c(cc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1)CCCN2 ZINC001236600006 819548845 /nfs/dbraw/zinc/54/88/45/819548845.db2.gz FKJTVRQDTWASTG-MRXNPFEDSA-N 1 3 299.462 3.009 20 0 CGADHO c1cc2cccc(CN(C[C@H]3CCC[NH2+]C3)C3CC3)c2o1 ZINC001236601915 819550589 /nfs/dbraw/zinc/55/05/89/819550589.db2.gz QCZWSZZTCOGNHL-AWEZNQCLSA-N 1 3 284.403 3.397 20 0 CGADHO CCCN(Cc1c[nH]c2cccc(C)c12)C[C@H]1CC[NH2+]C1 ZINC001236833882 819613451 /nfs/dbraw/zinc/61/34/51/819613451.db2.gz CWQIRGGZGMAIJZ-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1ccc(Cl)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236834796 819614899 /nfs/dbraw/zinc/61/48/99/819614899.db2.gz IFUKVNVWDBLZOL-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO CCCN(Cc1cc(C)c(F)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836561 819617021 /nfs/dbraw/zinc/61/70/21/819617021.db2.gz XJZQGPVPQLWLKV-OAHLLOKOSA-N 1 3 278.415 3.264 20 0 CGADHO CSc1cc(C)cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1 ZINC001238680639 820081629 /nfs/dbraw/zinc/08/16/29/820081629.db2.gz ZVYOOJCGZRHRNT-CVEARBPZSA-N 1 3 290.476 3.100 20 0 CGADHO CSc1cc(C)cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC001238680639 820081639 /nfs/dbraw/zinc/08/16/39/820081639.db2.gz ZVYOOJCGZRHRNT-CVEARBPZSA-N 1 3 290.476 3.100 20 0 CGADHO CCN(CC)Cc1ccc(C2=CC[NH2+]CC2)cc1F ZINC001240470196 821078504 /nfs/dbraw/zinc/07/85/04/821078504.db2.gz DJNBVIGBUYOTLW-UHFFFAOYSA-N 1 3 262.372 3.044 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC001340517707 936407140 /nfs/dbraw/zinc/40/71/40/936407140.db2.gz VLGWJDSNMNXONC-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001350955768 937004577 /nfs/dbraw/zinc/00/45/77/937004577.db2.gz JSEDBCAZCJNCDD-QKPAOTATSA-N 1 3 268.420 3.025 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721520039 928740636 /nfs/dbraw/zinc/74/06/36/928740636.db2.gz LVUUMVINWLPKBK-JJXSEGSLSA-N 1 3 282.472 3.043 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@H]2C1 ZINC001461828058 937599651 /nfs/dbraw/zinc/59/96/51/937599651.db2.gz HYSFUMQXSAGTNR-AEGPPILISA-N 1 3 292.492 3.475 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CCC1 ZINC001462084142 937616589 /nfs/dbraw/zinc/61/65/89/937616589.db2.gz KUACYXMVOVQEGE-GDBMZVCRSA-N 1 3 252.446 3.419 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001308086230 933046916 /nfs/dbraw/zinc/04/69/16/933046916.db2.gz FSCBESLFQJUASV-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001308231678 933076648 /nfs/dbraw/zinc/07/66/48/933076648.db2.gz MBMJMXKMJRWBMG-CQSZACIVSA-N 1 3 289.448 3.118 20 0 CGADHO COc1cc(C[NH2+]CC[C@@H](C)N(C)C)cc2ccccc21 ZINC001308478296 933117699 /nfs/dbraw/zinc/11/76/99/933117699.db2.gz HQVULCZYDUZJRE-CQSZACIVSA-N 1 3 286.419 3.278 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC001308553510 933130589 /nfs/dbraw/zinc/13/05/89/933130589.db2.gz ASTKLJKMMMEYBO-WBVHZDCISA-N 1 3 289.467 3.039 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H](C)N(C)C ZINC001308881966 933196614 /nfs/dbraw/zinc/19/66/14/933196614.db2.gz BHCTYSATPKRVJC-NVXWUHKLSA-N 1 3 262.441 3.246 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)c1cccc(Cl)c1 ZINC001308983353 933221634 /nfs/dbraw/zinc/22/16/34/933221634.db2.gz CLUQPQJCFVDYLM-QIJZBDPFSA-N 1 3 292.854 3.373 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)nc2C)C1 ZINC001319743183 933925952 /nfs/dbraw/zinc/92/59/52/933925952.db2.gz FQOVHYXEBCAGTR-ZBFHGGJFSA-N 1 3 275.440 3.081 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001319753560 933927019 /nfs/dbraw/zinc/92/70/19/933927019.db2.gz DKFQSSRYYCOLFY-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001319753560 933927021 /nfs/dbraw/zinc/92/70/21/933927021.db2.gz DKFQSSRYYCOLFY-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cnc2ccccc2c1N1CCC[C@H]([NH+](C)C)CC1 ZINC001320758036 934099502 /nfs/dbraw/zinc/09/95/02/934099502.db2.gz ZGEVPRQTJSXMDF-HNNXBMFYSA-N 1 3 283.419 3.464 20 0 CGADHO C[N@H+](CCCN1CCCC1)[C@@H]1CCc2c1cccc2F ZINC001321652216 934200902 /nfs/dbraw/zinc/20/09/02/934200902.db2.gz DWRVMYQFRWOLQW-QGZVFWFLSA-N 1 3 276.399 3.231 20 0 CGADHO C[N@@H+](CCCN1CCCC1)[C@@H]1CCc2c1cccc2F ZINC001321652216 934200912 /nfs/dbraw/zinc/20/09/12/934200912.db2.gz DWRVMYQFRWOLQW-QGZVFWFLSA-N 1 3 276.399 3.231 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](c2cccnc2)C2CCC2)C1 ZINC001322474272 934304639 /nfs/dbraw/zinc/30/46/39/934304639.db2.gz CJWQXROJHRHKSE-QAPCUYQASA-N 1 3 287.451 3.244 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](c2cccnc2)C2CCC2)C1 ZINC001322474272 934304648 /nfs/dbraw/zinc/30/46/48/934304648.db2.gz CJWQXROJHRHKSE-QAPCUYQASA-N 1 3 287.451 3.244 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](C)COc2ccccc2F)CC1 ZINC001325276683 934900406 /nfs/dbraw/zinc/90/04/06/934900406.db2.gz CHDXVWNQWZMFNK-AWEZNQCLSA-N 1 3 294.414 3.057 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](C)c1ccc(OC)c2ccccc21 ZINC001325745344 934927182 /nfs/dbraw/zinc/92/71/82/934927182.db2.gz XGGHADONCUIMJB-ZIAGYGMSSA-N 1 3 286.419 3.497 20 0 CGADHO CC1([NH+]2CCC2)CCC(Nc2cc(N)ncc2Cl)CC1 ZINC001551192043 938177527 /nfs/dbraw/zinc/17/75/27/938177527.db2.gz TZEKTJRVBOMCDB-UHFFFAOYSA-N 1 3 294.830 3.136 20 0 CGADHO NC[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412693 938191956 /nfs/dbraw/zinc/19/19/56/938191956.db2.gz UOKDTZUGVGSBCC-BQFCYCMXSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412693 938191957 /nfs/dbraw/zinc/19/19/57/938191957.db2.gz UOKDTZUGVGSBCC-BQFCYCMXSA-N 1 3 272.436 3.241 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001553026661 938196141 /nfs/dbraw/zinc/19/61/41/938196141.db2.gz WSAOEBSQGSIERE-NWINJMCUSA-N 1 3 290.373 3.085 20 0 CGADHO CC[C@H](C)[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155927 938245427 /nfs/dbraw/zinc/24/54/27/938245427.db2.gz YCHNZZQKKKUNJD-RRFJBIMHSA-N 1 3 261.413 3.027 20 0 CGADHO CC[C@H](C)[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155927 938245428 /nfs/dbraw/zinc/24/54/28/938245428.db2.gz YCHNZZQKKKUNJD-RRFJBIMHSA-N 1 3 261.413 3.027 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C)cc3)[C@@H]2C1 ZINC001560623437 938266553 /nfs/dbraw/zinc/26/65/53/938266553.db2.gz XIHQTTHLELNVNO-CGTJXYLNSA-N 1 3 286.463 3.414 20 0 CGADHO CCC1(CC)[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C[C@H]1OC ZINC001560751169 938273913 /nfs/dbraw/zinc/27/39/13/938273913.db2.gz PENVKXUMCDEAPZ-GVDBMIGSSA-N 1 3 296.499 3.434 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001561052740 938292101 /nfs/dbraw/zinc/29/21/01/938292101.db2.gz KCUQNKIDGUZASR-RRFJBIMHSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(CN)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001575315663 960472049 /nfs/dbraw/zinc/47/20/49/960472049.db2.gz URFBZYLIYFCNSA-UHFFFAOYSA-N 1 3 296.405 3.204 20 0 CGADHO CC(C)(C[NH3+])CN1CCC(Cc2cc(F)ccc2F)CC1 ZINC001575315663 960472059 /nfs/dbraw/zinc/47/20/59/960472059.db2.gz URFBZYLIYFCNSA-UHFFFAOYSA-N 1 3 296.405 3.204 20 0 CGADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001579467545 960483024 /nfs/dbraw/zinc/48/30/24/960483024.db2.gz NLUWXAGLLRSPKU-LXTVHRRPSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001575421935 962372864 /nfs/dbraw/zinc/37/28/64/962372864.db2.gz CZNYKSGMDGDKPS-QZTJIDSGSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001575421935 962372883 /nfs/dbraw/zinc/37/28/83/962372883.db2.gz CZNYKSGMDGDKPS-QZTJIDSGSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001575423771 962373922 /nfs/dbraw/zinc/37/39/22/962373922.db2.gz XQZIDVMKXDDTQJ-MSOLQXFVSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001575423771 962373936 /nfs/dbraw/zinc/37/39/36/962373936.db2.gz XQZIDVMKXDDTQJ-MSOLQXFVSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC001575549706 962388788 /nfs/dbraw/zinc/38/87/88/962388788.db2.gz LKIKLSKFAMKKNG-GDBMZVCRSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+]C[C@H](CN)C(C)C)CC1 ZINC001575581553 962398766 /nfs/dbraw/zinc/39/87/66/962398766.db2.gz SAPRRHARFILEHB-ULQDDVLXSA-N 1 3 284.488 3.181 20 0 CGADHO C[C@H](CC1CCCCC1)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001575934672 962416408 /nfs/dbraw/zinc/41/64/08/962416408.db2.gz RZUZVHLSBJYAJF-DJIMGWMZSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@H]1C[C@H](c2cccc(F)c2)N(CC(C)(C)C[NH3+])C1 ZINC001576622375 962473656 /nfs/dbraw/zinc/47/36/56/962473656.db2.gz CXQINPBDUJTMAU-SWLSCSKDSA-N 1 3 264.388 3.194 20 0 CGADHO CCC(CC)[C@H]1C[C@H]([NH2+]CC(CC)(CC)CN)CCO1 ZINC001577068123 962507261 /nfs/dbraw/zinc/50/72/61/962507261.db2.gz BAHOLKQUFYUGNK-HZPDHXFCSA-N 1 3 284.488 3.325 20 0 CGADHO CC[C@@H](CCc1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001577076667 962507309 /nfs/dbraw/zinc/50/73/09/962507309.db2.gz AFDQPPSSMJVUSK-HYVNUMGLSA-N 1 3 260.425 3.128 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC001577251059 962516481 /nfs/dbraw/zinc/51/64/81/962516481.db2.gz VFQNRAMLJXQVPC-FZMZJTMJSA-N 1 3 264.438 3.062 20 0 CGADHO CCc1ccc([C@@H]2CCCN(CCC[NH2+]C)C2)cc1 ZINC001578254872 962574662 /nfs/dbraw/zinc/57/46/62/962574662.db2.gz JFHPUEOFJJMSGZ-QGZVFWFLSA-N 1 3 260.425 3.038 20 0 CGADHO Cc1cc(F)ccc1CNCC[C@@H]([NH3+])Cc1ccccc1 ZINC001579613771 962645546 /nfs/dbraw/zinc/64/55/46/962645546.db2.gz LNCDYWNPSLYBDP-GOSISDBHSA-N 1 3 286.394 3.184 20 0 CGADHO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](CN)C(C)C)C2)cc1 ZINC001579678225 962654749 /nfs/dbraw/zinc/65/47/49/962654749.db2.gz IVSZIEKWUWGIQZ-DLBZAZTESA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccc([C@H]2CC[N@H+](C[C@@H](CN)C(C)C)C2)cc1 ZINC001579678225 962654757 /nfs/dbraw/zinc/65/47/57/962654757.db2.gz IVSZIEKWUWGIQZ-DLBZAZTESA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](CN)C(C)C)C2)cc1 ZINC001579678228 962657011 /nfs/dbraw/zinc/65/70/11/962657011.db2.gz IVSZIEKWUWGIQZ-SJORKVTESA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccc([C@@H]2CC[N@H+](C[C@H](CN)C(C)C)C2)cc1 ZINC001579678228 962657016 /nfs/dbraw/zinc/65/70/16/962657016.db2.gz IVSZIEKWUWGIQZ-SJORKVTESA-N 1 3 260.425 3.015 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2CC(C)(C)CN)c1C ZINC001579757265 962667492 /nfs/dbraw/zinc/66/74/92/962667492.db2.gz VGQGOQIGTKLDAQ-MRXNPFEDSA-N 1 3 260.425 3.425 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2CC(C)(C)CN)c1C ZINC001579757265 962667500 /nfs/dbraw/zinc/66/75/00/962667500.db2.gz VGQGOQIGTKLDAQ-MRXNPFEDSA-N 1 3 260.425 3.425 20 0 CGADHO Cc1cccc(NC2CCN(C[C@H](C[NH3+])C(C)C)CC2)c1 ZINC001579767858 962674105 /nfs/dbraw/zinc/67/41/05/962674105.db2.gz LASIBGRMUOYSHJ-INIZCTEOSA-N 1 3 289.467 3.102 20 0 CGADHO Cc1cccc(NC2CC[NH+](C[C@H](CN)C(C)C)CC2)c1 ZINC001579767858 962674120 /nfs/dbraw/zinc/67/41/20/962674120.db2.gz LASIBGRMUOYSHJ-INIZCTEOSA-N 1 3 289.467 3.102 20 0 CGADHO Fc1ccc(CCN2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC001580030017 962686267 /nfs/dbraw/zinc/68/62/67/962686267.db2.gz FFSUUNAFETWTPE-WMZOPIPTSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1cccc(CCN2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580033158 962690181 /nfs/dbraw/zinc/69/01/81/962690181.db2.gz ABRHNXJIHVVSEG-WMZOPIPTSA-N 1 3 290.426 3.222 20 0 CGADHO [NH3+]CC1(CN2CCC(CC3CCCCC3)CC2)CC1 ZINC001580243543 962708515 /nfs/dbraw/zinc/70/85/15/962708515.db2.gz KOUDMVFWKPFDCR-UHFFFAOYSA-N 1 3 264.457 3.408 20 0 CGADHO CCCc1ccc(CN2CCC(C[NH+](C)C)CC2)s1 ZINC000621711044 349558630 /nfs/dbraw/zinc/55/86/30/349558630.db2.gz BPVIJIMSEJIDPA-UHFFFAOYSA-N 1 3 280.481 3.474 20 0 CGADHO c1ccc(CSCC[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000591282801 346913561 /nfs/dbraw/zinc/91/35/61/346913561.db2.gz RUJQQRRUNCYOEU-INIZCTEOSA-N 1 3 290.476 3.184 20 0 CGADHO c1ccc(CSCCN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282801 346913563 /nfs/dbraw/zinc/91/35/63/346913563.db2.gz RUJQQRRUNCYOEU-INIZCTEOSA-N 1 3 290.476 3.184 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000423367782 529722752 /nfs/dbraw/zinc/72/27/52/529722752.db2.gz DRCUMKIDWZJAON-COXVUDFISA-N 1 3 260.425 3.430 20 0 CGADHO CCc1nc(C)c([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000414185513 529729717 /nfs/dbraw/zinc/72/97/17/529729717.db2.gz OUHOPLOQYFTUSV-JSGCOSHPSA-N 1 3 295.496 3.396 20 0 CGADHO CCc1nc(C)c([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414185513 529729718 /nfs/dbraw/zinc/72/97/18/529729718.db2.gz OUHOPLOQYFTUSV-JSGCOSHPSA-N 1 3 295.496 3.396 20 0 CGADHO Cc1csc([C@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623491003 349819063 /nfs/dbraw/zinc/81/90/63/349819063.db2.gz AFDLSMCBQWHDON-YPMHNXCESA-N 1 3 281.469 3.017 20 0 CGADHO Cc1csc([C@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491003 349819065 /nfs/dbraw/zinc/81/90/65/349819065.db2.gz AFDLSMCBQWHDON-YPMHNXCESA-N 1 3 281.469 3.017 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073101 529799322 /nfs/dbraw/zinc/79/93/22/529799322.db2.gz WHUPDEJGMXRPBX-CADBVGFASA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073101 529799325 /nfs/dbraw/zinc/79/93/25/529799325.db2.gz WHUPDEJGMXRPBX-CADBVGFASA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@@H]2CCC[C@@H]21 ZINC000423436693 529806815 /nfs/dbraw/zinc/80/68/15/529806815.db2.gz FPQJZIDHJHHKNR-WDSOQIARSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@@H]2CCC[C@@H]21 ZINC000423436693 529806816 /nfs/dbraw/zinc/80/68/16/529806816.db2.gz FPQJZIDHJHHKNR-WDSOQIARSA-N 1 3 299.462 3.007 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000623657248 349858611 /nfs/dbraw/zinc/85/86/11/349858611.db2.gz MCHIHDFHLRWBEI-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000623656823 349858629 /nfs/dbraw/zinc/85/86/29/349858629.db2.gz CPHWQFAMDQJHOJ-CABCVRRESA-N 1 3 278.415 3.251 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000623656236 349857648 /nfs/dbraw/zinc/85/76/48/349857648.db2.gz PUFJYWZKGKEASI-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255480 529998832 /nfs/dbraw/zinc/99/88/32/529998832.db2.gz AFOGPAYHFRVPCB-FIQHERPVSA-N 1 3 286.872 3.339 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255480 529998833 /nfs/dbraw/zinc/99/88/33/529998833.db2.gz AFOGPAYHFRVPCB-FIQHERPVSA-N 1 3 286.872 3.339 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000044517486 345012449 /nfs/dbraw/zinc/01/24/49/345012449.db2.gz SWBGQMREDYILAC-OAHLLOKOSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534867 345012999 /nfs/dbraw/zinc/01/29/99/345012999.db2.gz ZRVRILRDMXMDEC-HZPDHXFCSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534867 345013001 /nfs/dbraw/zinc/01/30/01/345013001.db2.gz ZRVRILRDMXMDEC-HZPDHXFCSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000089551719 345770871 /nfs/dbraw/zinc/77/08/71/345770871.db2.gz JKAWDKWAWCKRCJ-MPGHIAIKSA-N 1 3 290.451 3.466 20 0 CGADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972586 345798874 /nfs/dbraw/zinc/79/88/74/345798874.db2.gz FGGTVHZMAVJIMX-ZWKOTPCHSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972586 345798878 /nfs/dbraw/zinc/79/88/78/345798878.db2.gz FGGTVHZMAVJIMX-ZWKOTPCHSA-N 1 3 284.447 3.008 20 0 CGADHO CC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000090972586 345798881 /nfs/dbraw/zinc/79/88/81/345798881.db2.gz FGGTVHZMAVJIMX-ZWKOTPCHSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@@H]1CC([NH2+]C2CCN(C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000090966332 345799264 /nfs/dbraw/zinc/79/92/64/345799264.db2.gz MIEMMCYKIHXERS-HUUCEWRRSA-N 1 3 294.483 3.329 20 0 CGADHO CC(C)Oc1cccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093212345 345872883 /nfs/dbraw/zinc/87/28/83/345872883.db2.gz NKYQXIJQBRBKMX-BPUTZDHNSA-N 1 3 276.424 3.394 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000094338858 345898104 /nfs/dbraw/zinc/89/81/04/345898104.db2.gz ZNLHZPGRNXPLOC-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000127377725 346030852 /nfs/dbraw/zinc/03/08/52/346030852.db2.gz WTJQDOQONNDRQG-KRWDZBQOSA-N 1 3 274.452 3.284 20 0 CGADHO Cc1c[nH+]ccc1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000191979339 346267064 /nfs/dbraw/zinc/26/70/64/346267064.db2.gz ZCHORUNXPCXEBG-MRXNPFEDSA-N 1 3 273.355 3.244 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cccc(F)c2F)CC1 ZINC000224984779 346302404 /nfs/dbraw/zinc/30/24/04/346302404.db2.gz STACAUHOTIVYJM-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO CC(C)(C)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000236616016 346341575 /nfs/dbraw/zinc/34/15/75/346341575.db2.gz JAIKNHJYGKCLOW-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000252121577 346390100 /nfs/dbraw/zinc/39/01/00/346390100.db2.gz KWRFKHOEORWVSM-FPCVCCKLSA-N 1 3 252.446 3.131 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000339068105 346500936 /nfs/dbraw/zinc/50/09/36/346500936.db2.gz NXOZHSRVMWUVHN-XUWVNRHRSA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339068105 346500941 /nfs/dbraw/zinc/50/09/41/346500941.db2.gz NXOZHSRVMWUVHN-XUWVNRHRSA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339068105 346500945 /nfs/dbraw/zinc/50/09/45/346500945.db2.gz NXOZHSRVMWUVHN-XUWVNRHRSA-N 1 3 282.497 3.267 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CC4CCC3CC4)CC2)ccn1 ZINC000400146422 346589503 /nfs/dbraw/zinc/58/95/03/346589503.db2.gz UCURXJCTIPPXJN-JCYILVPMSA-N 1 3 299.462 3.466 20 0 CGADHO Cc1ccc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000584775071 346713787 /nfs/dbraw/zinc/71/37/87/346713787.db2.gz ZEYZITPBNQGTFT-DZGCQCFKSA-N 1 3 264.413 3.031 20 0 CGADHO COc1ccc([C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188666 370652732 /nfs/dbraw/zinc/65/27/32/370652732.db2.gz QTJFBVMSRBBMAK-QANKJYHBSA-N 1 3 288.435 3.219 20 0 CGADHO COc1ccc([C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)cc1 ZINC000119188666 370652735 /nfs/dbraw/zinc/65/27/35/370652735.db2.gz QTJFBVMSRBBMAK-QANKJYHBSA-N 1 3 288.435 3.219 20 0 CGADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119429 349975761 /nfs/dbraw/zinc/97/57/61/349975761.db2.gz BCFITTDXJRJYSF-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120315 349976338 /nfs/dbraw/zinc/97/63/38/349976338.db2.gz WCOUUYKSMYPOAN-AEFFLSMTSA-N 1 3 274.452 3.329 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CCC2 ZINC000624120626 349976368 /nfs/dbraw/zinc/97/63/68/349976368.db2.gz CQRZJHOIQIKEAN-ZIAGYGMSSA-N 1 3 293.480 3.150 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000351861612 219228779 /nfs/dbraw/zinc/22/87/79/219228779.db2.gz LBRKDRQXLRHQEZ-CHWSQXEVSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120316 349977367 /nfs/dbraw/zinc/97/73/67/349977367.db2.gz WCOUUYKSMYPOAN-FUHWJXTLSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccsc1 ZINC000624121371 349979002 /nfs/dbraw/zinc/97/90/02/349979002.db2.gz UVYPJTMTQROROV-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCOCc1ccccc1 ZINC000351910568 219245204 /nfs/dbraw/zinc/24/52/04/219245204.db2.gz YJRXTHBTAXCFLA-GOSISDBHSA-N 1 3 290.451 3.009 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCOCc1ccccc1 ZINC000351910568 219245205 /nfs/dbraw/zinc/24/52/05/219245205.db2.gz YJRXTHBTAXCFLA-GOSISDBHSA-N 1 3 290.451 3.009 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)CCOCc1ccccc1 ZINC000351910569 219245445 /nfs/dbraw/zinc/24/54/45/219245445.db2.gz YJRXTHBTAXCFLA-SFHVURJKSA-N 1 3 290.451 3.009 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCOCc1ccccc1 ZINC000351910569 219245447 /nfs/dbraw/zinc/24/54/47/219245447.db2.gz YJRXTHBTAXCFLA-SFHVURJKSA-N 1 3 290.451 3.009 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000624123168 349983002 /nfs/dbraw/zinc/98/30/02/349983002.db2.gz HBWYPQKZCXNSGD-LPHOPBHVSA-N 1 3 286.463 3.256 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123672 349983261 /nfs/dbraw/zinc/98/32/61/349983261.db2.gz QGFKRXGOCCBRCU-OWCLPIDISA-N 1 3 296.499 3.290 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(C)c1 ZINC000624124063 349982807 /nfs/dbraw/zinc/98/28/07/349982807.db2.gz WFJUIGJFOFJMOW-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO C([C@H]1CC[N@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC000608500396 348315412 /nfs/dbraw/zinc/31/54/12/348315412.db2.gz FUGSPSLNYDMGAD-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C([C@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCCCC1 ZINC000608500396 348315414 /nfs/dbraw/zinc/31/54/14/348315414.db2.gz FUGSPSLNYDMGAD-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@@H](C)C3)CC2)C1 ZINC000358293628 233100831 /nfs/dbraw/zinc/10/08/31/233100831.db2.gz AJTGDEVTEKJMDU-ATLSCFEFSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](Cc1ccoc1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000358773896 233193017 /nfs/dbraw/zinc/19/30/17/233193017.db2.gz MMQNFALBYOTCTP-CYBMUJFWSA-N 1 3 264.413 3.063 20 0 CGADHO Fc1ccc(CN(CCC2CC[NH2+]CC2)C2CC2)c(F)c1 ZINC000359222667 233280819 /nfs/dbraw/zinc/28/08/19/233280819.db2.gz QCALGPHLDBZCNU-UHFFFAOYSA-N 1 3 294.389 3.319 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000359364278 233305683 /nfs/dbraw/zinc/30/56/83/233305683.db2.gz OOSSUTFJAUHYDN-CQSZACIVSA-N 1 3 278.440 3.471 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351277 191089531 /nfs/dbraw/zinc/08/95/31/191089531.db2.gz YMFNRQSKFKPSKE-DOTOQJQBSA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351277 191089533 /nfs/dbraw/zinc/08/95/33/191089533.db2.gz YMFNRQSKFKPSKE-DOTOQJQBSA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000628425718 350536923 /nfs/dbraw/zinc/53/69/23/350536923.db2.gz SOVUZLAGBMDKIP-QGZVFWFLSA-N 1 3 290.451 3.167 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000629531662 350703685 /nfs/dbraw/zinc/70/36/85/350703685.db2.gz SVKHRVBOEMZRJI-XSLAGTTESA-N 1 3 296.499 3.467 20 0 CGADHO C[NH2+]CCOCCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000629529733 350703858 /nfs/dbraw/zinc/70/38/58/350703858.db2.gz LWORZVVTUXBDOU-INIZCTEOSA-N 1 3 296.430 3.129 20 0 CGADHO C[C@@H](NCCOCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000629537410 350705561 /nfs/dbraw/zinc/70/55/61/350705561.db2.gz HUCTXAXWWUEXLT-SNVBAGLBSA-N 1 3 291.222 3.009 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629546218 350709393 /nfs/dbraw/zinc/70/93/93/350709393.db2.gz FXWMVTYIYHJCFD-HFAKWTLXSA-N 1 3 266.816 3.433 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000629546724 350710046 /nfs/dbraw/zinc/71/00/46/350710046.db2.gz XJYASDOECZZTFO-DZGCQCFKSA-N 1 3 250.430 3.220 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550252 350710813 /nfs/dbraw/zinc/71/08/13/350710813.db2.gz KQYIITHIHPLJCQ-ROUUACIJSA-N 1 3 295.430 3.498 20 0 CGADHO Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000629553197 350711745 /nfs/dbraw/zinc/71/17/45/350711745.db2.gz NYUJKGZBBQETQO-BMFZPTHFSA-N 1 3 278.827 3.003 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556465 350712967 /nfs/dbraw/zinc/71/29/67/350712967.db2.gz QCNGDPOLYXBSSL-APHBMKBZSA-N 1 3 278.827 3.434 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631107782 350956193 /nfs/dbraw/zinc/95/61/93/350956193.db2.gz GMKNVEDCSRBKMO-UHFFFAOYSA-N 1 3 298.352 3.143 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631109082 350956507 /nfs/dbraw/zinc/95/65/07/350956507.db2.gz ZGPINACUJHVDCQ-UHFFFAOYSA-N 1 3 284.378 3.330 20 0 CGADHO C[C@H]1O[C@@H](C)C[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000631702336 351123351 /nfs/dbraw/zinc/12/33/51/351123351.db2.gz SEMVSHLMXQYWQM-DTYCBIMDSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H]1O[C@@H](C)C[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000631702336 351123354 /nfs/dbraw/zinc/12/33/54/351123354.db2.gz SEMVSHLMXQYWQM-DTYCBIMDSA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631566674 351069133 /nfs/dbraw/zinc/06/91/33/351069133.db2.gz RPRKOVUQIFMQMN-GOSISDBHSA-N 1 3 287.451 3.169 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CCCc2ncccc21)C(C)(C)C ZINC000631579924 351076115 /nfs/dbraw/zinc/07/61/15/351076115.db2.gz CQFRQSKQYVQCKL-SJORKVTESA-N 1 3 289.467 3.415 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733531 351578731 /nfs/dbraw/zinc/57/87/31/351578731.db2.gz HLLPPBSBSPWQSQ-VXGBXAGGSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634734151 351580123 /nfs/dbraw/zinc/58/01/23/351580123.db2.gz YEOXLYLYRDGFEM-WDEREUQCSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1F ZINC000635006574 351624808 /nfs/dbraw/zinc/62/48/08/351624808.db2.gz SGILSWVYQWCEEF-SRVKXCTJSA-N 1 3 268.351 3.133 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635010038 351628704 /nfs/dbraw/zinc/62/87/04/351628704.db2.gz IVADRDWJWSLXPN-HIFRSBDPSA-N 1 3 276.424 3.124 20 0 CGADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(CO)c1 ZINC000121860679 187000823 /nfs/dbraw/zinc/00/08/23/187000823.db2.gz QYHWPWUIAGONSN-YOEHRIQHSA-N 1 3 292.467 3.196 20 0 CGADHO C[C@@H]1[C@H]([NH2+]CC2=CCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000364115347 234020721 /nfs/dbraw/zinc/02/07/21/234020721.db2.gz YTASSFIRSYVLLF-JCGIZDLHSA-N 1 3 270.420 3.030 20 0 CGADHO C[C@@H](NCc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152940441 188053840 /nfs/dbraw/zinc/05/38/40/188053840.db2.gz PSZIQBWUVRTGSV-MRXNPFEDSA-N 1 3 298.430 3.478 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(Cl)cc1 ZINC000271831533 191353168 /nfs/dbraw/zinc/35/31/68/191353168.db2.gz DYDDRKGTLLWJQS-LBPRGKRZSA-N 1 3 264.800 3.253 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172669 235353992 /nfs/dbraw/zinc/35/39/92/235353992.db2.gz DZRZSDQSKHJTEI-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cn1 ZINC000414172669 235353994 /nfs/dbraw/zinc/35/39/94/235353994.db2.gz DZRZSDQSKHJTEI-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO CCOc1ccccc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414194242 235361203 /nfs/dbraw/zinc/36/12/03/235361203.db2.gz UNPQVBQVPWEJFR-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO CCOc1ccccc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414194242 235361205 /nfs/dbraw/zinc/36/12/05/235361205.db2.gz UNPQVBQVPWEJFR-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000414169615 235353013 /nfs/dbraw/zinc/35/30/13/235353013.db2.gz BDCAMKATJRHRSI-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169615 235353015 /nfs/dbraw/zinc/35/30/15/235353015.db2.gz BDCAMKATJRHRSI-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO COc1ccsc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414201913 235363026 /nfs/dbraw/zinc/36/30/26/235363026.db2.gz YIYNZRZQOVEGMC-QWHCGFSZSA-N 1 3 282.453 3.139 20 0 CGADHO COc1ccsc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414201913 235363027 /nfs/dbraw/zinc/36/30/27/235363027.db2.gz YIYNZRZQOVEGMC-QWHCGFSZSA-N 1 3 282.453 3.139 20 0 CGADHO CN(C)Cc1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cc1 ZINC000352700233 219572744 /nfs/dbraw/zinc/57/27/44/219572744.db2.gz AQSLUMXWEADTPA-UHFFFAOYSA-N 1 3 290.451 3.184 20 0 CGADHO Cc1cc(NCC2([NH+](C)C)CCC2)c2ccccc2n1 ZINC000097934409 138349651 /nfs/dbraw/zinc/34/96/51/138349651.db2.gz RFKIWPYQRNGBMQ-UHFFFAOYSA-N 1 3 269.392 3.439 20 0 CGADHO CC[C@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126294412 138385566 /nfs/dbraw/zinc/38/55/66/138385566.db2.gz CSUGTXUWAHWMKT-INIZCTEOSA-N 1 3 282.378 3.347 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422711676 235907842 /nfs/dbraw/zinc/90/78/42/235907842.db2.gz NIEDEDFOUFOYCY-NVXWUHKLSA-N 1 3 282.472 3.223 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(Sc2ccccc2)CC1 ZINC000422910849 235940399 /nfs/dbraw/zinc/94/03/99/235940399.db2.gz RPUZRSJYXRJUMY-CHWSQXEVSA-N 1 3 264.438 3.027 20 0 CGADHO C[C@@H](CCC[NH3+])NC1(c2ccc(F)cc2F)CCC1 ZINC000423030559 235959465 /nfs/dbraw/zinc/95/94/65/235959465.db2.gz TWMKUIDBOPBMRS-NSHDSACASA-N 1 3 268.351 3.061 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423228247 236002931 /nfs/dbraw/zinc/00/29/31/236002931.db2.gz YXBRJEOMQBISBJ-CORIIIEPSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423228247 236002932 /nfs/dbraw/zinc/00/29/32/236002932.db2.gz YXBRJEOMQBISBJ-CORIIIEPSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)c1 ZINC000423327118 236040367 /nfs/dbraw/zinc/04/03/67/236040367.db2.gz LEYGBIIDLFTGIR-MOPGFXCFSA-N 1 3 286.463 3.295 20 0 CGADHO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423339589 236043206 /nfs/dbraw/zinc/04/32/06/236043206.db2.gz VKXLIEOHTGYZRG-BLLLJJGKSA-N 1 3 278.465 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)c1cc2c(s1)CCC2 ZINC000423339589 236043209 /nfs/dbraw/zinc/04/32/09/236043209.db2.gz VKXLIEOHTGYZRG-BLLLJJGKSA-N 1 3 278.465 3.277 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423300638 236031402 /nfs/dbraw/zinc/03/14/02/236031402.db2.gz DPXALIHBAKWGRE-VXGBXAGGSA-N 1 3 288.357 3.211 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423382664 236057249 /nfs/dbraw/zinc/05/72/49/236057249.db2.gz DRPCSEJUUTVUFD-ZRGWGRIASA-N 1 3 295.430 3.397 20 0 CGADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423396810 236063257 /nfs/dbraw/zinc/06/32/57/236063257.db2.gz SQXMCLNFNCRPJN-BLLLJJGKSA-N 1 3 258.409 3.204 20 0 CGADHO COc1ccc([C@H](C)N[C@@H](C)CCCC[NH3+])c(F)c1 ZINC000423420640 236068210 /nfs/dbraw/zinc/06/82/10/236068210.db2.gz BRHVSAZCKOIOFY-RYUDHWBXSA-N 1 3 268.376 3.002 20 0 CGADHO CCOc1ccccc1[C@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423424706 236068246 /nfs/dbraw/zinc/06/82/46/236068246.db2.gz CPWLSRYHZXWYOP-RRQGHBQHSA-N 1 3 288.435 3.124 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1Cl ZINC000423452225 236073952 /nfs/dbraw/zinc/07/39/52/236073952.db2.gz YWOMINWXKJZMPU-HZUKXOBISA-N 1 3 278.827 3.379 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423450449 236074492 /nfs/dbraw/zinc/07/44/92/236074492.db2.gz SYJLCIGFYSDFIJ-DCAQKATOSA-N 1 3 290.329 3.014 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1F ZINC000423540604 236094984 /nfs/dbraw/zinc/09/49/84/236094984.db2.gz KAIDMWLPMXIBSK-UMSGYPCISA-N 1 3 280.362 3.004 20 0 CGADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424368056 236158481 /nfs/dbraw/zinc/15/84/81/236158481.db2.gz OUCXVDXHOWKNDD-ZIAGYGMSSA-N 1 3 252.789 3.008 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccc(Cl)c(F)c1)CC[NH2+]CC2 ZINC000424293737 236143505 /nfs/dbraw/zinc/14/35/05/236143505.db2.gz PVDRRLGNMHTWRD-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000424328690 236150146 /nfs/dbraw/zinc/15/01/46/236150146.db2.gz FNIIRIMWKBYJJT-HUUCEWRRSA-N 1 3 289.810 3.248 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000424326833 236150555 /nfs/dbraw/zinc/15/05/55/236150555.db2.gz PIYSOCRNJPVFFE-XWTMOSNGSA-N 1 3 282.431 3.039 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CN(C)C ZINC000425922163 236273258 /nfs/dbraw/zinc/27/32/58/236273258.db2.gz MRECDIQFPYWVPZ-BPQIPLTHSA-N 1 3 274.452 3.185 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425941130 236274682 /nfs/dbraw/zinc/27/46/82/236274682.db2.gz CUCZXBDJZLZRCW-KGLIPLIRSA-N 1 3 280.481 3.127 20 0 CGADHO C[C@H](CN(C)C[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875000 199226120 /nfs/dbraw/zinc/22/61/20/199226120.db2.gz QJZLFLRBIRQLPB-KGLIPLIRSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875000 199226121 /nfs/dbraw/zinc/22/61/21/199226121.db2.gz QJZLFLRBIRQLPB-KGLIPLIRSA-N 1 3 296.405 3.342 20 0 CGADHO c1ccc([C@H]2CC[C@@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC000436282380 237070394 /nfs/dbraw/zinc/07/03/94/237070394.db2.gz SJVQSEFQFDWTSZ-ZWKOTPCHSA-N 1 3 272.436 3.398 20 0 CGADHO CN(C)CCOc1ccc(CC[NH2+]CCC(C)(C)C)cc1 ZINC000438219297 237449614 /nfs/dbraw/zinc/44/96/14/237449614.db2.gz LGLSYHAXKAHVMV-UHFFFAOYSA-N 1 3 292.467 3.195 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCNc1ccccc1 ZINC000422766468 296001780 /nfs/dbraw/zinc/00/17/80/296001780.db2.gz XJHAPQUZSHKZTJ-FUHWJXTLSA-N 1 3 289.467 3.389 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000177243852 189039254 /nfs/dbraw/zinc/03/92/54/189039254.db2.gz GRYRPWCPJDBRMR-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(OC(F)F)c1 ZINC000179598767 189206481 /nfs/dbraw/zinc/20/64/81/189206481.db2.gz GCCXGUCJAJVSIK-TZMCWYRMSA-N 1 3 298.377 3.423 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180757880 189273619 /nfs/dbraw/zinc/27/36/19/189273619.db2.gz BWVGSZDCCRRUEP-CVEARBPZSA-N 1 3 290.451 3.261 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180757880 189273620 /nfs/dbraw/zinc/27/36/20/189273620.db2.gz BWVGSZDCCRRUEP-CVEARBPZSA-N 1 3 290.451 3.261 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC000181954546 189310827 /nfs/dbraw/zinc/31/08/27/189310827.db2.gz XJVWNXLDGHBDLI-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1 ZINC000181954546 189310828 /nfs/dbraw/zinc/31/08/28/189310828.db2.gz XJVWNXLDGHBDLI-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCCc2ccc(C)cc2)C1 ZINC000181954546 189310829 /nfs/dbraw/zinc/31/08/29/189310829.db2.gz XJVWNXLDGHBDLI-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCc2ccc(C)cc2)C1 ZINC000181954546 189310830 /nfs/dbraw/zinc/31/08/30/189310830.db2.gz XJVWNXLDGHBDLI-SFHVURJKSA-N 1 3 274.452 3.201 20 0 CGADHO C[C@@H](NC/C=C/C[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000181786955 189306661 /nfs/dbraw/zinc/30/66/61/189306661.db2.gz BJZTXHSDFGVCRW-COAGQGPPSA-N 1 3 296.418 3.034 20 0 CGADHO C[C@@H]([NH2+]C/C=C/CN[C@@H](C)c1ccccn1)c1ccccn1 ZINC000181786955 189306662 /nfs/dbraw/zinc/30/66/62/189306662.db2.gz BJZTXHSDFGVCRW-COAGQGPPSA-N 1 3 296.418 3.034 20 0 CGADHO Cc1ccc([C@H]([NH2+]CCCN(C)C)C2CCCC2)o1 ZINC000342547469 216392590 /nfs/dbraw/zinc/39/25/90/216392590.db2.gz SZLRZLTYBZMXPJ-MRXNPFEDSA-N 1 3 264.413 3.361 20 0 CGADHO C[C@@H](O)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449290704 239294802 /nfs/dbraw/zinc/29/48/02/239294802.db2.gz HESNOASTJWCHIU-OAHLLOKOSA-N 1 3 298.515 3.416 20 0 CGADHO CCc1ccc(CNC2CCC(C[NH+](C)C)CC2)o1 ZINC000119920788 370723106 /nfs/dbraw/zinc/72/31/06/370723106.db2.gz UQQPSLJWRHOWAO-UHFFFAOYSA-N 1 3 264.413 3.052 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cc2c(s1)CCC2 ZINC000423285833 299366894 /nfs/dbraw/zinc/36/68/94/299366894.db2.gz YUVFVWOYNOUKAT-IACUBPJLSA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1cc2c(s1)CCC2 ZINC000423285833 299366895 /nfs/dbraw/zinc/36/68/95/299366895.db2.gz YUVFVWOYNOUKAT-IACUBPJLSA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1cccc(CO)c1 ZINC000121032720 370824227 /nfs/dbraw/zinc/82/42/27/370824227.db2.gz WEWXKGWDNIKOLU-CVEARBPZSA-N 1 3 290.451 3.094 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459415267 242101930 /nfs/dbraw/zinc/10/19/30/242101930.db2.gz BKZGFGFALXAGFS-OOJKYFRXSA-N 1 3 252.446 3.274 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462392747 242340538 /nfs/dbraw/zinc/34/05/38/242340538.db2.gz HAXBCNKGQYHPIU-HXUWFJFHSA-N 1 3 294.442 3.458 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCNC1 ZINC000414822963 299376930 /nfs/dbraw/zinc/37/69/30/299376930.db2.gz NPPWKAKNABPNAZ-WUHRBBMRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)CN1CCCC1 ZINC000481314309 243187604 /nfs/dbraw/zinc/18/76/04/243187604.db2.gz BANGCIOZMWXELB-APWZRJJASA-N 1 3 286.463 3.329 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000483306942 243276506 /nfs/dbraw/zinc/27/65/06/243276506.db2.gz VEZHBSBEEJNWEK-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000123576738 370913507 /nfs/dbraw/zinc/91/35/07/370913507.db2.gz OJMHYJDODHGVIT-MLGOLLRUSA-N 1 3 272.392 3.443 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000123576738 370913513 /nfs/dbraw/zinc/91/35/13/370913513.db2.gz OJMHYJDODHGVIT-MLGOLLRUSA-N 1 3 272.392 3.443 20 0 CGADHO CC[NH+](CC)CCCN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488450516 243571054 /nfs/dbraw/zinc/57/10/54/243571054.db2.gz SHLPBFHIIOJKKD-KBPBESRZSA-N 1 3 272.502 3.228 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488450516 243571060 /nfs/dbraw/zinc/57/10/60/243571060.db2.gz SHLPBFHIIOJKKD-KBPBESRZSA-N 1 3 272.502 3.228 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000037149937 369069586 /nfs/dbraw/zinc/06/95/86/369069586.db2.gz CBWRPVGEQMTMPA-UHFFFAOYSA-N 1 3 264.388 3.180 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000037267051 369079621 /nfs/dbraw/zinc/07/96/21/369079621.db2.gz XVKUBTQBOUYVOK-NSHDSACASA-N 1 3 286.341 3.450 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000037374209 369083510 /nfs/dbraw/zinc/08/35/10/369083510.db2.gz DZYMVEVZOKPWFC-IIDMSEBBSA-N 1 3 287.451 3.465 20 0 CGADHO Cc1ccc(C)c(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000042319282 369213386 /nfs/dbraw/zinc/21/33/86/369213386.db2.gz JOXKOWUPBJTVCH-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cncc(F)c2)C1 ZINC000494611196 244303804 /nfs/dbraw/zinc/30/38/04/244303804.db2.gz AUFPQZSGSJEUNI-GASCZTMLSA-N 1 3 293.430 3.068 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cncc(F)c2)C1 ZINC000494611196 244303809 /nfs/dbraw/zinc/30/38/09/244303809.db2.gz AUFPQZSGSJEUNI-GASCZTMLSA-N 1 3 293.430 3.068 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2cc[nH]c21 ZINC000276138263 193223154 /nfs/dbraw/zinc/22/31/54/193223154.db2.gz MVKBXLGDQYGHRB-UHFFFAOYSA-N 1 3 271.408 3.086 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2cc[nH]c21 ZINC000276138263 193223155 /nfs/dbraw/zinc/22/31/55/193223155.db2.gz MVKBXLGDQYGHRB-UHFFFAOYSA-N 1 3 271.408 3.086 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000128012570 370958167 /nfs/dbraw/zinc/95/81/67/370958167.db2.gz OLEPUPMWEUYMOK-KLHDSHLOSA-N 1 3 250.430 3.029 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000053658898 369488677 /nfs/dbraw/zinc/48/86/77/369488677.db2.gz FVUFZDIJOLQHCD-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000414110704 296149373 /nfs/dbraw/zinc/14/93/73/296149373.db2.gz OLZPIANWKMJYQD-GAGVYUBLSA-N 1 3 264.457 3.274 20 0 CGADHO Cc1cc([C@@H](C)NCC2(C)CC[NH+](C)CC2)c(C)o1 ZINC000219297071 376198444 /nfs/dbraw/zinc/19/84/44/376198444.db2.gz DALNMQRIDLCRNJ-CYBMUJFWSA-N 1 3 264.413 3.279 20 0 CGADHO C[NH2+]CCC1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000070188883 369787655 /nfs/dbraw/zinc/78/76/55/369787655.db2.gz JLUOQPYQLDCBQO-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)c1ccccc1 ZINC000415089734 296155829 /nfs/dbraw/zinc/15/58/29/296155829.db2.gz WRBFTWATSIFKJM-GDBMZVCRSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000415089734 296155830 /nfs/dbraw/zinc/15/58/30/296155830.db2.gz WRBFTWATSIFKJM-GDBMZVCRSA-N 1 3 260.425 3.084 20 0 CGADHO CCc1cccc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277078077 193548333 /nfs/dbraw/zinc/54/83/33/193548333.db2.gz FEADWSIMUACVGT-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277078077 193548334 /nfs/dbraw/zinc/54/83/34/193548334.db2.gz FEADWSIMUACVGT-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCCC1 ZINC000113960186 370488719 /nfs/dbraw/zinc/48/87/19/370488719.db2.gz ZDWBAJJMRNJJBU-CQSZACIVSA-N 1 3 260.425 3.417 20 0 CGADHO CC(C)C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132101151 371151608 /nfs/dbraw/zinc/15/16/08/371151608.db2.gz NNCLJLSSXSOUOA-RDJZCZTQSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132101151 371151613 /nfs/dbraw/zinc/15/16/13/371151613.db2.gz NNCLJLSSXSOUOA-RDJZCZTQSA-N 1 3 260.425 3.363 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344029878 217018050 /nfs/dbraw/zinc/01/80/50/217018050.db2.gz CPOCRGWIMUXUPN-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000421876755 371693168 /nfs/dbraw/zinc/69/31/68/371693168.db2.gz JYWSLNHSJBHPPK-GJZGRUSLSA-N 1 3 278.440 3.324 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000152419107 371694328 /nfs/dbraw/zinc/69/43/28/371694328.db2.gz WZIPCUWQPSDSFP-MNOVXSKESA-N 1 3 298.352 3.239 20 0 CGADHO COc1cccc([C@@H](C)N[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422710330 371763046 /nfs/dbraw/zinc/76/30/46/371763046.db2.gz LREGFKHFSNIYMG-CHWSQXEVSA-N 1 3 299.418 3.269 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCCc1cccc(C(F)(F)F)c1 ZINC000422710052 371763823 /nfs/dbraw/zinc/76/38/23/371763823.db2.gz DTEABVQDNZNWEH-UONOGXRCSA-N 1 3 286.341 3.107 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCSc1ccc(Cl)cc1 ZINC000422762505 371792725 /nfs/dbraw/zinc/79/27/25/371792725.db2.gz IGBBIZSGJKJZAP-GHMZBOCLSA-N 1 3 272.845 3.148 20 0 CGADHO CC(C)(CN[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000422729335 371769586 /nfs/dbraw/zinc/76/95/86/371769586.db2.gz KNGMAHOILSIAOV-CYBMUJFWSA-N 1 3 298.833 3.488 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCNCC1)c1ccc(F)cc1Cl ZINC000422729335 371769590 /nfs/dbraw/zinc/76/95/90/371769590.db2.gz KNGMAHOILSIAOV-CYBMUJFWSA-N 1 3 298.833 3.488 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422736477 371774456 /nfs/dbraw/zinc/77/44/56/371774456.db2.gz YFIHQYIQMALOTL-XYPWUTKMSA-N 1 3 292.854 3.490 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000422734784 371774864 /nfs/dbraw/zinc/77/48/64/371774864.db2.gz UAQKQJJKEQBVEN-RYUDHWBXSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000422738384 371777763 /nfs/dbraw/zinc/77/77/63/371777763.db2.gz JQFFQBVBQPDDLT-QWHCGFSZSA-N 1 3 266.454 3.003 20 0 CGADHO C[C@H]1CCC[C@@H](CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422746654 371782151 /nfs/dbraw/zinc/78/21/51/371782151.db2.gz OAEWZWSSOQQVHV-WDFJATGCSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](NC1CCC(C[NH3+])CC1)c1ccc(F)cc1F ZINC000422749161 371782650 /nfs/dbraw/zinc/78/26/50/371782650.db2.gz XVCGVDGURKTCIL-ZBOXLXRLSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCNc1ccccc1 ZINC000422756084 371787874 /nfs/dbraw/zinc/78/78/74/371787874.db2.gz LFRNSBZDWXJSAW-QFBILLFUSA-N 1 3 297.446 3.037 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422757962 371790302 /nfs/dbraw/zinc/79/03/02/371790302.db2.gz DJPQKABWLBSPIT-GDBMZVCRSA-N 1 3 278.465 3.065 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)COC1CCCC1 ZINC000422823493 371831442 /nfs/dbraw/zinc/83/14/42/371831442.db2.gz DKGPAXVPXITMDH-RCCFBDPRSA-N 1 3 294.483 3.236 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422775805 371799100 /nfs/dbraw/zinc/79/91/00/371799100.db2.gz CKKRMGRZEGOADX-IPMKNSEASA-N 1 3 286.463 3.356 20 0 CGADHO COC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422838725 371834183 /nfs/dbraw/zinc/83/41/83/371834183.db2.gz PBIAHRIDYTUSPH-NUUXYWTLSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000422785162 371807008 /nfs/dbraw/zinc/80/70/08/371807008.db2.gz PCFCXYXNWAVQLG-CHWSQXEVSA-N 1 3 275.440 3.468 20 0 CGADHO C[C@H](OCCC[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422787789 371807809 /nfs/dbraw/zinc/80/78/09/371807809.db2.gz QKOXWHKTAVBEMC-RYQLBKOJSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422787873 371808266 /nfs/dbraw/zinc/80/82/66/371808266.db2.gz AGZNEJIIBHZFQL-HMDCTGQHSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H](OCCC[NH2+][C@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422786104 371808871 /nfs/dbraw/zinc/80/88/71/371808871.db2.gz OLRAOYDJEZMBJB-RYRKJORJSA-N 1 3 290.451 3.132 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799269 371815395 /nfs/dbraw/zinc/81/53/95/371815395.db2.gz VZWGVEQVMSTMND-KBPBESRZSA-N 1 3 286.341 3.455 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000422811695 371825127 /nfs/dbraw/zinc/82/51/27/371825127.db2.gz VEUGAKIUAUOJIX-KXBFYZLASA-N 1 3 295.430 3.226 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422855327 371843163 /nfs/dbraw/zinc/84/31/63/371843163.db2.gz CHJKUCRHGNWWTH-NVXWUHKLSA-N 1 3 274.452 3.380 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])Cc1cccc(Cl)c1 ZINC000422873062 371848341 /nfs/dbraw/zinc/84/83/41/371848341.db2.gz JQODXWYMQPUVDW-GJZGRUSLSA-N 1 3 280.843 3.378 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422876670 371849662 /nfs/dbraw/zinc/84/96/62/371849662.db2.gz GHBCQWLWDVVDIM-PBHICJAKSA-N 1 3 290.426 3.355 20 0 CGADHO Fc1ccc(C2(C[NH2+][C@@H]3CCCNCC3)CCCC2)cc1 ZINC000422878233 371849739 /nfs/dbraw/zinc/84/97/39/371849739.db2.gz JSMPXXVCLUDAJH-QGZVFWFLSA-N 1 3 290.426 3.369 20 0 CGADHO Fc1ccc(C2(CN[C@@H]3CCC[NH2+]CC3)CCCC2)cc1 ZINC000422878233 371849747 /nfs/dbraw/zinc/84/97/47/371849747.db2.gz JSMPXXVCLUDAJH-QGZVFWFLSA-N 1 3 290.426 3.369 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cccc(OC(F)F)c1 ZINC000422884339 371853585 /nfs/dbraw/zinc/85/35/85/371853585.db2.gz RVYOCRUHCNAVPV-HBNTYKKESA-N 1 3 272.339 3.064 20 0 CGADHO CC(C)Oc1cccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422883241 371853673 /nfs/dbraw/zinc/85/36/73/371853673.db2.gz QESCYIGWEUZWHB-MJBXVCDLSA-N 1 3 264.413 3.250 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCOc3ccccc32)c2ccccc21 ZINC000422884718 371853852 /nfs/dbraw/zinc/85/38/52/371853852.db2.gz FLCFPWVYAJHZMS-XWIAVFTESA-N 1 3 294.398 3.287 20 0 CGADHO COCCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000422889415 371854564 /nfs/dbraw/zinc/85/45/64/371854564.db2.gz PLPDTNADHIZGSM-IAGOWNOFSA-N 1 3 288.435 3.318 20 0 CGADHO CCCCOc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422895340 371859396 /nfs/dbraw/zinc/85/93/96/371859396.db2.gz FPVOFDPVQQUTTD-GJZGRUSLSA-N 1 3 278.440 3.123 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000422895340 371859401 /nfs/dbraw/zinc/85/94/01/371859401.db2.gz FPVOFDPVQQUTTD-GJZGRUSLSA-N 1 3 278.440 3.123 20 0 CGADHO Cc1ccncc1CCCNCCC[NH+](C(C)C)C(C)C ZINC000289967965 371865068 /nfs/dbraw/zinc/86/50/68/371865068.db2.gz BPLFOGJJMMPMFT-UHFFFAOYSA-N 1 3 291.483 3.421 20 0 CGADHO Fc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000344069367 217036688 /nfs/dbraw/zinc/03/66/88/217036688.db2.gz BSUBBJMUPZVJPK-QGZVFWFLSA-N 1 3 276.399 3.279 20 0 CGADHO CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422927873 371875822 /nfs/dbraw/zinc/87/58/22/371875822.db2.gz HNIXFQLDJMMDFZ-SGMGOOAPSA-N 1 3 284.831 3.213 20 0 CGADHO CC[C@@H](CN[C@H]1CCC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000422932304 371877253 /nfs/dbraw/zinc/87/72/53/371877253.db2.gz YZNMAAFKVFFWBM-GJZGRUSLSA-N 1 3 296.842 3.229 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933463 371877674 /nfs/dbraw/zinc/87/76/74/371877674.db2.gz HTKLFEJSDXVYNH-UONOGXRCSA-N 1 3 297.240 3.199 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1OC ZINC000422945852 371884723 /nfs/dbraw/zinc/88/47/23/371884723.db2.gz VLZINGDZMMBNCM-WRQOLXDDSA-N 1 3 294.483 3.090 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423052842 371936365 /nfs/dbraw/zinc/93/63/65/371936365.db2.gz QOVFPRBUVGGFDH-MROQNXINSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)(C)C ZINC000423053942 371937517 /nfs/dbraw/zinc/93/75/17/371937517.db2.gz BHACSPOBLMVLIF-RDGKXADDSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1)C1CNC1 ZINC000423058005 371939876 /nfs/dbraw/zinc/93/98/76/371939876.db2.gz BGVVKZHFNKCXED-QEJZJMRPSA-N 1 3 252.446 3.179 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2cccc(F)c2F)c2ccccc21 ZINC000422957277 371891490 /nfs/dbraw/zinc/89/14/90/371891490.db2.gz MZRROUWUZAZDRG-HOTGVXAUSA-N 1 3 288.341 3.242 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422975202 371896869 /nfs/dbraw/zinc/89/68/69/371896869.db2.gz BILJAKBIHHXTOX-RHSMWYFYSA-N 1 3 290.451 3.080 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422983227 371901408 /nfs/dbraw/zinc/90/14/08/371901408.db2.gz YZOCITKKFIQPRK-HZPDHXFCSA-N 1 3 276.424 3.052 20 0 CGADHO Cc1cccc(O[C@@H]2CCCC[C@@H]2N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423002700 371910187 /nfs/dbraw/zinc/91/01/87/371910187.db2.gz ZHCKNAXJMHPYKE-XYVMCAHJSA-N 1 3 290.451 3.400 20 0 CGADHO CC(C)CSCCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423014478 371916311 /nfs/dbraw/zinc/91/63/11/371916311.db2.gz PEZXLYXBDBHKLJ-WBVHZDCISA-N 1 3 294.508 3.314 20 0 CGADHO CC(C)CSCCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423014476 371917008 /nfs/dbraw/zinc/91/70/08/371917008.db2.gz PEZXLYXBDBHKLJ-NVXWUHKLSA-N 1 3 294.508 3.314 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000423020861 371918736 /nfs/dbraw/zinc/91/87/36/371918736.db2.gz CZTPJVRKPBRPBJ-IAOVAPTHSA-N 1 3 276.399 3.310 20 0 CGADHO CS[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000423028366 371924066 /nfs/dbraw/zinc/92/40/66/371924066.db2.gz GFZJGAUSNMJHAT-GBJTYRQASA-N 1 3 284.513 3.274 20 0 CGADHO Cc1cc(CN[C@H]2CC[NH2+]CC[C@H]2C)ccc1Cl ZINC000423033793 371926471 /nfs/dbraw/zinc/92/64/71/371926471.db2.gz GYELWFMQIMEBAI-ABAIWWIYSA-N 1 3 266.816 3.126 20 0 CGADHO Fc1ccccc1[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423092890 371957546 /nfs/dbraw/zinc/95/75/46/371957546.db2.gz DTROLCROSCKROI-YFVFXCHESA-N 1 3 288.410 3.334 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423099713 371962464 /nfs/dbraw/zinc/96/24/64/371962464.db2.gz AXNNUFCIXXWWBU-QGPMSJSTSA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000423099713 371962469 /nfs/dbraw/zinc/96/24/69/371962469.db2.gz AXNNUFCIXXWWBU-QGPMSJSTSA-N 1 3 290.451 3.294 20 0 CGADHO COCC[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423102830 371966474 /nfs/dbraw/zinc/96/64/74/371966474.db2.gz ABCARTGGKHGWAJ-JYJNAYRXSA-N 1 3 276.424 3.172 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423105278 371967571 /nfs/dbraw/zinc/96/75/71/371967571.db2.gz YWRUEDRXHGLPAO-CYUUQNCZSA-N 1 3 264.800 3.055 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CO)CCC(C)(C)C ZINC000423105247 371967812 /nfs/dbraw/zinc/96/78/12/371967812.db2.gz YTLUQFAWKWLPDB-BZUAXINKSA-N 1 3 284.488 3.074 20 0 CGADHO Cc1cccc(CCCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000423107150 371971108 /nfs/dbraw/zinc/97/11/08/371971108.db2.gz PKIHFRLRIVOTCZ-FUHWJXTLSA-N 1 3 289.467 3.223 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122410 371976718 /nfs/dbraw/zinc/97/67/18/371976718.db2.gz KPUSOMDRFRECSP-TVFCKZIOSA-N 1 3 288.435 3.156 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423123195 371976954 /nfs/dbraw/zinc/97/69/54/371976954.db2.gz DKSSHZGLOMQEBF-HZSPNIEDSA-N 1 3 274.399 3.180 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC2(C3CCC3)CCC2)c2ccccc21 ZINC000423170508 372002231 /nfs/dbraw/zinc/00/22/31/372002231.db2.gz MHJANBPUVMEAKV-JKSUJKDBSA-N 1 3 256.393 3.444 20 0 CGADHO C[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423127834 371980516 /nfs/dbraw/zinc/98/05/16/371980516.db2.gz PPDSRVQYKSYSSF-AAVRWANBSA-N 1 3 292.389 3.475 20 0 CGADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423147391 371993177 /nfs/dbraw/zinc/99/31/77/371993177.db2.gz CNUHGTNMEZMJNE-BQJWPVKWSA-N 1 3 264.457 3.179 20 0 CGADHO C[NH+]1CCC([C@@H]2CCN(Cc3cc(F)ccc3F)C2)CC1 ZINC000290480775 371998834 /nfs/dbraw/zinc/99/88/34/371998834.db2.gz NZKBEOVCWCAAFG-CQSZACIVSA-N 1 3 294.389 3.129 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423168227 372000568 /nfs/dbraw/zinc/00/05/68/372000568.db2.gz XVSWDESDSZLEII-OLZOCXBDSA-N 1 3 296.405 3.345 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000423073065 371947390 /nfs/dbraw/zinc/94/73/90/371947390.db2.gz KKSOAQSSMNXYFD-SPUZQDLCSA-N 1 3 272.436 3.300 20 0 CGADHO CC[C@@H]([NH2+]C1CCNCC1)c1cccc(Br)c1 ZINC000423191503 372017763 /nfs/dbraw/zinc/01/77/63/372017763.db2.gz UHUNBZSLDBAPBH-CQSZACIVSA-N 1 3 297.240 3.242 20 0 CGADHO [NH3+]CCCN[C@@H](CCc1ccccc1)c1ccccc1 ZINC000423194870 372019123 /nfs/dbraw/zinc/01/91/23/372019123.db2.gz RYXBSTZMWOBHEQ-SFHVURJKSA-N 1 3 268.404 3.299 20 0 CGADHO CNCCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423198485 372023468 /nfs/dbraw/zinc/02/34/68/372023468.db2.gz GDSHLCXIKHGKFG-RYUDHWBXSA-N 1 3 254.805 3.031 20 0 CGADHO C[NH2+]CCCN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423198485 372023473 /nfs/dbraw/zinc/02/34/73/372023473.db2.gz GDSHLCXIKHGKFG-RYUDHWBXSA-N 1 3 254.805 3.031 20 0 CGADHO CNCCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423198068 372023678 /nfs/dbraw/zinc/02/36/78/372023678.db2.gz CUSDKZLJBZAFEW-UKRRQHHQSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423198068 372023682 /nfs/dbraw/zinc/02/36/82/372023682.db2.gz CUSDKZLJBZAFEW-UKRRQHHQSA-N 1 3 266.816 3.175 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423208834 372032135 /nfs/dbraw/zinc/03/21/35/372032135.db2.gz HZOXHPDJTINNBA-SUMWQHHRSA-N 1 3 283.419 3.135 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423214492 372034715 /nfs/dbraw/zinc/03/47/15/372034715.db2.gz OYOVQLBLNRLLQU-GVDBMIGSSA-N 1 3 287.451 3.005 20 0 CGADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423394333 372060937 /nfs/dbraw/zinc/06/09/37/372060937.db2.gz RFVLZGCQVIVMLG-IFXJQAMLSA-N 1 3 296.414 3.156 20 0 CGADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423219489 372037988 /nfs/dbraw/zinc/03/79/88/372037988.db2.gz TZCRZPBEFPTMBV-INWMFGNUSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc21 ZINC000423407592 372061621 /nfs/dbraw/zinc/06/16/21/372061621.db2.gz WBWACMZREIQWDO-GFOFROLCSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)c2ccccc21 ZINC000423407592 372061628 /nfs/dbraw/zinc/06/16/28/372061628.db2.gz WBWACMZREIQWDO-GFOFROLCSA-N 1 3 258.409 3.213 20 0 CGADHO Clc1cc2c(c(Cl)c1)CC[C@H]2NCC1=CC[NH2+]CC1 ZINC000423348157 372054011 /nfs/dbraw/zinc/05/40/11/372054011.db2.gz RXBNGGJJJUASNV-OAHLLOKOSA-N 1 3 297.229 3.490 20 0 CGADHO Cc1ccc(C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C2CC2)cc1 ZINC000423363107 372055144 /nfs/dbraw/zinc/05/51/44/372055144.db2.gz AKVLDPJTQRACMC-QGTPRVQTSA-N 1 3 272.436 3.046 20 0 CGADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000423375318 372056975 /nfs/dbraw/zinc/05/69/75/372056975.db2.gz INXADCPPDRRAQO-HYVNUMGLSA-N 1 3 260.425 3.300 20 0 CGADHO CCc1nc2c(s1)[C@@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180907 372057216 /nfs/dbraw/zinc/05/72/16/372057216.db2.gz RGJVYERGSRAJMI-OLZOCXBDSA-N 1 3 293.480 3.014 20 0 CGADHO CCc1nc2c(s1)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180907 372057219 /nfs/dbraw/zinc/05/72/19/372057219.db2.gz RGJVYERGSRAJMI-OLZOCXBDSA-N 1 3 293.480 3.014 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(-c2ccccc2)s1 ZINC000423177499 372007071 /nfs/dbraw/zinc/00/70/71/372007071.db2.gz ATWXYSNIXYFKBV-LBPRGKRZSA-N 1 3 260.406 3.415 20 0 CGADHO NCCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423179048 372008952 /nfs/dbraw/zinc/00/89/52/372008952.db2.gz CTTHRKOBQHIGLD-OCCSQVGLSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CN[C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423461883 372066139 /nfs/dbraw/zinc/06/61/39/372066139.db2.gz CYFFBSMCPLLVEH-NDMJEZRESA-N 1 3 298.352 3.198 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000292971958 372264657 /nfs/dbraw/zinc/26/46/57/372264657.db2.gz MKIIVGPSJWHQKF-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000292971958 372264669 /nfs/dbraw/zinc/26/46/69/372264669.db2.gz MKIIVGPSJWHQKF-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428865277 372273077 /nfs/dbraw/zinc/27/30/77/372273077.db2.gz VVLWBDLNFBLUDG-VIFPVBQESA-N 1 3 280.359 3.197 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2nc(C)sc2C)CC1 ZINC000044517625 541872727 /nfs/dbraw/zinc/87/27/27/541872727.db2.gz HPRXLKYRQXPMJP-LLVKDONJSA-N 1 3 281.469 3.142 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNCc2cccn2C)c1 ZINC000161696320 372347564 /nfs/dbraw/zinc/34/75/64/372347564.db2.gz IXVGLLHBMCHYCD-UHFFFAOYSA-N 1 3 285.435 3.157 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000163474593 372473260 /nfs/dbraw/zinc/47/32/60/372473260.db2.gz WKWAESJTNIHCIG-FRRDWIJNSA-N 1 3 278.362 3.324 20 0 CGADHO Cc1ccnc([C@@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293670326 372443712 /nfs/dbraw/zinc/44/37/12/372443712.db2.gz JJKUAQJKDOAXRB-MRXNPFEDSA-N 1 3 275.440 3.307 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000163189318 372452074 /nfs/dbraw/zinc/45/20/74/372452074.db2.gz URUBGKJTFUYNEN-CXAGYDPISA-N 1 3 254.377 3.009 20 0 CGADHO COCc1ccccc1/C=C(/C)CNC[C@H](C)C[NH+](C)C ZINC000431652483 372492008 /nfs/dbraw/zinc/49/20/08/372492008.db2.gz VEWIBQRUYKOJFA-IZNAZMGOSA-N 1 3 290.451 3.024 20 0 CGADHO COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](C)CN(C)C ZINC000431652483 372492019 /nfs/dbraw/zinc/49/20/19/372492019.db2.gz VEWIBQRUYKOJFA-IZNAZMGOSA-N 1 3 290.451 3.024 20 0 CGADHO CC[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519401 372552902 /nfs/dbraw/zinc/55/29/02/372552902.db2.gz MQJVPCPAUWQIPM-BMFZPTHFSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519401 372552905 /nfs/dbraw/zinc/55/29/05/372552905.db2.gz MQJVPCPAUWQIPM-BMFZPTHFSA-N 1 3 294.414 3.055 20 0 CGADHO C[NH2+]CCCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000435881626 372822791 /nfs/dbraw/zinc/82/27/91/372822791.db2.gz VRRHSHLAWXQIGX-IRXDYDNUSA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000435881626 372822794 /nfs/dbraw/zinc/82/27/94/372822794.db2.gz VRRHSHLAWXQIGX-IRXDYDNUSA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000435881626 372822802 /nfs/dbraw/zinc/82/28/02/372822802.db2.gz VRRHSHLAWXQIGX-IRXDYDNUSA-N 1 3 260.425 3.172 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000296084052 373017496 /nfs/dbraw/zinc/01/74/96/373017496.db2.gz STGYWIMVVKNCGE-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO CCC1([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000296395571 373117224 /nfs/dbraw/zinc/11/72/24/373117224.db2.gz KGECKVFTUIDGNG-CQSZACIVSA-N 1 3 276.424 3.220 20 0 CGADHO CCc1cnccc1[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000444604920 373211571 /nfs/dbraw/zinc/21/15/71/373211571.db2.gz CGJOWIOZQZKNIG-HNNXBMFYSA-N 1 3 275.440 3.171 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000174315949 373290673 /nfs/dbraw/zinc/29/06/73/373290673.db2.gz GUBFQSNTIZARNP-MWDXBVQZSA-N 1 3 282.472 3.044 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000175010026 373394062 /nfs/dbraw/zinc/39/40/62/373394062.db2.gz JNSLZEZTCLBKFF-LSDHHAIUSA-N 1 3 271.408 3.130 20 0 CGADHO CCSc1ccc([C@H](C)NCCOCC[NH+](C)C)cc1 ZINC000447593997 373462194 /nfs/dbraw/zinc/46/21/94/373462194.db2.gz WFTUGHWAMVHOQX-AWEZNQCLSA-N 1 3 296.480 3.027 20 0 CGADHO Cc1ccc([C@H]([NH2+]CCOCCN(C)C)C2CCC2)cc1 ZINC000447601267 373463472 /nfs/dbraw/zinc/46/34/72/373463472.db2.gz ONTMQAMXUMKZGW-GOSISDBHSA-N 1 3 290.451 3.004 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300420731 373634149 /nfs/dbraw/zinc/63/41/49/373634149.db2.gz RTRBEQAHMHFMDQ-QWHCGFSZSA-N 1 3 280.378 3.427 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]CCCN2CCCC2)c1C ZINC000178412218 373775027 /nfs/dbraw/zinc/77/50/27/373775027.db2.gz ZJNIQNNDFPVZGS-INIZCTEOSA-N 1 3 260.425 3.440 20 0 CGADHO CC[C@](C)(CNC1CC[NH+](C2CCCCC2)CC1)OC ZINC000449477562 373764833 /nfs/dbraw/zinc/76/48/33/373764833.db2.gz PMNLCURMAAPZQI-QGZVFWFLSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449477562 373764842 /nfs/dbraw/zinc/76/48/42/373764842.db2.gz PMNLCURMAAPZQI-QGZVFWFLSA-N 1 3 282.472 3.188 20 0 CGADHO Cc1nc2ccccc2c(N2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000302100107 373820535 /nfs/dbraw/zinc/82/05/35/373820535.db2.gz URAKLESMGFWOHJ-OAHLLOKOSA-N 1 3 283.419 3.382 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000450252464 374023529 /nfs/dbraw/zinc/02/35/29/374023529.db2.gz IGPMYXMXTUACSC-HZPDHXFCSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000450252464 374023537 /nfs/dbraw/zinc/02/35/37/374023537.db2.gz IGPMYXMXTUACSC-HZPDHXFCSA-N 1 3 295.430 3.258 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](CC)c1ccccc1F ZINC000180735911 374041097 /nfs/dbraw/zinc/04/10/97/374041097.db2.gz MEENXSDUEZRMNG-PBHICJAKSA-N 1 3 296.430 3.223 20 0 CGADHO FC1(F)CCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450430456 374123115 /nfs/dbraw/zinc/12/31/15/374123115.db2.gz RVFFAKAKXINQGK-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450430456 374123119 /nfs/dbraw/zinc/12/31/19/374123119.db2.gz RVFFAKAKXINQGK-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450430456 374123123 /nfs/dbraw/zinc/12/31/23/374123123.db2.gz RVFFAKAKXINQGK-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1cscn1 ZINC000450759293 374178311 /nfs/dbraw/zinc/17/83/11/374178311.db2.gz OYMKDJCMVKUHFJ-GOEBONIOSA-N 1 3 295.496 3.176 20 0 CGADHO NCCC[N@@H+](Cc1ccccc1)C[C@H]1CCC(F)(F)C1 ZINC000309823288 374199191 /nfs/dbraw/zinc/19/91/91/374199191.db2.gz GTYVFZAWBPWUBF-HNNXBMFYSA-N 1 3 282.378 3.273 20 0 CGADHO NCCC[N@H+](Cc1ccccc1)C[C@H]1CCC(F)(F)C1 ZINC000309823288 374199197 /nfs/dbraw/zinc/19/91/97/374199197.db2.gz GTYVFZAWBPWUBF-HNNXBMFYSA-N 1 3 282.378 3.273 20 0 CGADHO [NH3+]CCCN(Cc1ccccc1)C[C@H]1CCC(F)(F)C1 ZINC000309823288 374199205 /nfs/dbraw/zinc/19/92/05/374199205.db2.gz GTYVFZAWBPWUBF-HNNXBMFYSA-N 1 3 282.378 3.273 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc2ccccc21)CN(C)C ZINC000311975968 374264527 /nfs/dbraw/zinc/26/45/27/374264527.db2.gz PWVCZADSSFKFOA-CQSZACIVSA-N 1 3 256.393 3.127 20 0 CGADHO C[C@H](CNCc1cccc2ccccc21)C[NH+](C)C ZINC000311975968 374264535 /nfs/dbraw/zinc/26/45/35/374264535.db2.gz PWVCZADSSFKFOA-CQSZACIVSA-N 1 3 256.393 3.127 20 0 CGADHO Clc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000312043885 374268165 /nfs/dbraw/zinc/26/81/65/374268165.db2.gz TVCLYGIZWINEJF-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO C(C[NH2+][C@H]1CCCC12CCCC2)CN1CCCC1 ZINC000328254413 374362957 /nfs/dbraw/zinc/36/29/57/374362957.db2.gz JVKMFLHJUZLGMP-HNNXBMFYSA-N 1 3 250.430 3.175 20 0 CGADHO CCc1cccc(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000474351437 375100658 /nfs/dbraw/zinc/10/06/58/375100658.db2.gz JTNLDQTVFWCZRV-UHFFFAOYSA-N 1 3 280.843 3.334 20 0 CGADHO CC1(C)CC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000187868831 375109365 /nfs/dbraw/zinc/10/93/65/375109365.db2.gz XDZCZLLIHVYAGD-KRWDZBQOSA-N 1 3 294.483 3.331 20 0 CGADHO [NH3+]CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000335265791 375258223 /nfs/dbraw/zinc/25/82/23/375258223.db2.gz NFQQJAXBBWWULD-UHFFFAOYSA-N 1 3 289.810 3.059 20 0 CGADHO Clc1cccc2c1CCC[C@H]2[NH2+]C1CCNCC1 ZINC000335571054 375332151 /nfs/dbraw/zinc/33/21/51/375332151.db2.gz YJDULFLOZXNNEX-OAHLLOKOSA-N 1 3 264.800 3.059 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189313403 375364577 /nfs/dbraw/zinc/36/45/77/375364577.db2.gz DHRHAKIZZPPZQZ-QGZVFWFLSA-N 1 3 272.436 3.134 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189313403 375364583 /nfs/dbraw/zinc/36/45/83/375364583.db2.gz DHRHAKIZZPPZQZ-QGZVFWFLSA-N 1 3 272.436 3.134 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)[C@H]1C ZINC000495042403 375495934 /nfs/dbraw/zinc/49/59/34/375495934.db2.gz WNABWFWFWNDBRQ-JKIFEVAISA-N 1 3 264.457 3.418 20 0 CGADHO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000121045698 542015470 /nfs/dbraw/zinc/01/54/70/542015470.db2.gz PJDCYEWGTFYZDH-PIGZYNQJSA-N 1 3 292.373 3.026 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CC=CC3)CC2)C1 ZINC000122049816 542022975 /nfs/dbraw/zinc/02/29/75/542022975.db2.gz SVEFOKAIAAFDRD-PBHICJAKSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CC=CC3)CC2)C1 ZINC000122050019 542023073 /nfs/dbraw/zinc/02/30/73/542023073.db2.gz SVEFOKAIAAFDRD-YOEHRIQHSA-N 1 3 262.441 3.338 20 0 CGADHO c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c2c(c1)CNCC2 ZINC000124013162 542029209 /nfs/dbraw/zinc/02/92/09/542029209.db2.gz IKNMCIMMDZCGBM-KSSFIOAISA-N 1 3 270.420 3.097 20 0 CGADHO c1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c2c(c1)CNCC2 ZINC000124013162 542029215 /nfs/dbraw/zinc/02/92/15/542029215.db2.gz IKNMCIMMDZCGBM-KSSFIOAISA-N 1 3 270.420 3.097 20 0 CGADHO CCC(CC)(CC)[NH2+]Cc1cccc2c1CCNC2 ZINC000123990854 542030591 /nfs/dbraw/zinc/03/05/91/542030591.db2.gz ODSBZHNANAZZJF-UHFFFAOYSA-N 1 3 260.425 3.391 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000193733530 375916221 /nfs/dbraw/zinc/91/62/21/375916221.db2.gz XKBTVZKAELWHOA-AWEZNQCLSA-N 1 3 266.816 3.080 20 0 CGADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCc2ccccc21 ZINC000535051057 376017181 /nfs/dbraw/zinc/01/71/81/376017181.db2.gz UDQWKFUUKFCVII-WMZOPIPTSA-N 1 3 272.436 3.480 20 0 CGADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCc2ccccc21 ZINC000535051057 376017189 /nfs/dbraw/zinc/01/71/89/376017189.db2.gz UDQWKFUUKFCVII-WMZOPIPTSA-N 1 3 272.436 3.480 20 0 CGADHO Cc1ncsc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652128 376109953 /nfs/dbraw/zinc/10/99/53/376109953.db2.gz OKABTJUQIZFXRM-UHFFFAOYSA-N 1 3 281.469 3.004 20 0 CGADHO Cc1ncsc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652128 376109959 /nfs/dbraw/zinc/10/99/59/376109959.db2.gz OKABTJUQIZFXRM-UHFFFAOYSA-N 1 3 281.469 3.004 20 0 CGADHO Cc1ccc(C[N@H+](C)CCCN2CCCC2)cc1C ZINC000337194724 376129065 /nfs/dbraw/zinc/12/90/65/376129065.db2.gz AIZZTAQSPRBQTN-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO Cc1ccc(C[N@@H+](C)CCCN2CCCC2)cc1C ZINC000337194724 376129066 /nfs/dbraw/zinc/12/90/66/376129066.db2.gz AIZZTAQSPRBQTN-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000536827192 376133611 /nfs/dbraw/zinc/13/36/11/376133611.db2.gz POTBGIXFKYBGQZ-AEFFLSMTSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@]1(NCCC[NH+]2CCCC2)CCCc2ccccc21 ZINC000537604673 376178603 /nfs/dbraw/zinc/17/86/03/376178603.db2.gz ADYOHRVBPURUIE-SFHVURJKSA-N 1 3 272.436 3.314 20 0 CGADHO CN(C)CCOC1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000537631535 376187285 /nfs/dbraw/zinc/18/72/85/376187285.db2.gz PTAMMPXYNZUXIO-INIZCTEOSA-N 1 3 296.499 3.245 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000337991725 376251695 /nfs/dbraw/zinc/25/16/95/376251695.db2.gz WQVCONPYVWVFEL-ZJIFWQFVSA-N 1 3 250.430 3.028 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000541536163 376455328 /nfs/dbraw/zinc/45/53/28/376455328.db2.gz BQQAZPVUHVHDAD-YESZJQIVSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000541536163 376455338 /nfs/dbraw/zinc/45/53/38/376455338.db2.gz BQQAZPVUHVHDAD-YESZJQIVSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229060524 376457265 /nfs/dbraw/zinc/45/72/65/376457265.db2.gz WOLWMBAXTNVAAY-IVMMDQJWSA-N 1 3 264.388 3.194 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338690693 376481972 /nfs/dbraw/zinc/48/19/72/376481972.db2.gz FHMGPJWLAFIKOD-RYQLBKOJSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000230654127 376524899 /nfs/dbraw/zinc/52/48/99/376524899.db2.gz RHWOAIIMTHMQOC-OVYGPGRDSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000230663893 376525809 /nfs/dbraw/zinc/52/58/09/376525809.db2.gz HCUZTYGPODRIFQ-CABCVRRESA-N 1 3 273.424 3.076 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000235365636 376638854 /nfs/dbraw/zinc/63/88/54/376638854.db2.gz FPEGZKSGYAWMAW-HZPDHXFCSA-N 1 3 287.451 3.466 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426821 376812124 /nfs/dbraw/zinc/81/21/24/376812124.db2.gz LNWMEUINKOFWQO-MAUKXSAKSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000245426821 376812132 /nfs/dbraw/zinc/81/21/32/376812132.db2.gz LNWMEUINKOFWQO-MAUKXSAKSA-N 1 3 297.446 3.397 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000545519928 376830330 /nfs/dbraw/zinc/83/03/30/376830330.db2.gz VCIWIZORWHTNMY-HRCADAONSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000545519928 376830336 /nfs/dbraw/zinc/83/03/36/376830336.db2.gz VCIWIZORWHTNMY-HRCADAONSA-N 1 3 260.425 3.437 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245544893 376848697 /nfs/dbraw/zinc/84/86/97/376848697.db2.gz SUPPOKJAQMTIAX-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000245601301 376864520 /nfs/dbraw/zinc/86/45/20/376864520.db2.gz OZYVKTMQOZFZBM-VMGRFDJRSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000245601301 376864528 /nfs/dbraw/zinc/86/45/28/376864528.db2.gz OZYVKTMQOZFZBM-VMGRFDJRSA-N 1 3 276.399 3.275 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000557259796 376926998 /nfs/dbraw/zinc/92/69/98/376926998.db2.gz JKUSHDYRQACIEL-CRAIPNDOSA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000557259796 376927008 /nfs/dbraw/zinc/92/70/08/376927008.db2.gz JKUSHDYRQACIEL-CRAIPNDOSA-N 1 3 290.451 3.119 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164076 376979335 /nfs/dbraw/zinc/97/93/35/376979335.db2.gz IDEXSBBIKMEHRC-LPHOPBHVSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246164076 376979342 /nfs/dbraw/zinc/97/93/42/376979342.db2.gz IDEXSBBIKMEHRC-LPHOPBHVSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246164076 376979349 /nfs/dbraw/zinc/97/93/49/376979349.db2.gz IDEXSBBIKMEHRC-LPHOPBHVSA-N 1 3 284.447 3.482 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246247943 376996767 /nfs/dbraw/zinc/99/67/67/376996767.db2.gz SGFNWHFWGFJJGS-WFASDCNBSA-N 1 3 266.816 3.160 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000246907537 377117161 /nfs/dbraw/zinc/11/71/61/377117161.db2.gz GDJFZEZHRBTDOO-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000247085157 377157560 /nfs/dbraw/zinc/15/75/60/377157560.db2.gz REIOQOOMCZKCKL-HZPDHXFCSA-N 1 3 290.451 3.466 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000247500122 377214343 /nfs/dbraw/zinc/21/43/43/377214343.db2.gz LPNZPVWBGAKGPZ-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000247500122 377214349 /nfs/dbraw/zinc/21/43/49/377214349.db2.gz LPNZPVWBGAKGPZ-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000247500122 377214356 /nfs/dbraw/zinc/21/43/56/377214356.db2.gz LPNZPVWBGAKGPZ-IRXDYDNUSA-N 1 3 274.452 3.454 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248121088 377269237 /nfs/dbraw/zinc/26/92/37/377269237.db2.gz NJURDKLNSRJAOZ-IRXDYDNUSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248121088 377269241 /nfs/dbraw/zinc/26/92/41/377269241.db2.gz NJURDKLNSRJAOZ-IRXDYDNUSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248121088 377269247 /nfs/dbraw/zinc/26/92/47/377269247.db2.gz NJURDKLNSRJAOZ-IRXDYDNUSA-N 1 3 272.436 3.474 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248027819 377258571 /nfs/dbraw/zinc/25/85/71/377258571.db2.gz POOMDRSTNZMWJF-HOCLYGCPSA-N 1 3 278.465 3.099 20 0 CGADHO CC[N@H+]1CC[C@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248027819 377258578 /nfs/dbraw/zinc/25/85/78/377258578.db2.gz POOMDRSTNZMWJF-HOCLYGCPSA-N 1 3 278.465 3.099 20 0 CGADHO c1ccc([C@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)nc1 ZINC000563269432 377429351 /nfs/dbraw/zinc/42/93/51/377429351.db2.gz SGPTXMQJCPHVHM-LJQANCHMSA-N 1 3 293.414 3.064 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249086283 377459492 /nfs/dbraw/zinc/45/94/92/377459492.db2.gz BYIJDFYPBRGJGN-MCIONIFRSA-N 1 3 292.389 3.429 20 0 CGADHO CCC[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249258500 377482774 /nfs/dbraw/zinc/48/27/74/377482774.db2.gz GYCQMIXVMRDTKK-LZWOXQAQSA-N 1 3 250.430 3.124 20 0 CGADHO CCC[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249258500 377482777 /nfs/dbraw/zinc/48/27/77/377482777.db2.gz GYCQMIXVMRDTKK-LZWOXQAQSA-N 1 3 250.430 3.124 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422907214 249127487 /nfs/dbraw/zinc/12/74/87/249127487.db2.gz LBJKQBYBOMJFDH-BBRMVZONSA-N 1 3 295.430 3.229 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000422907216 249127632 /nfs/dbraw/zinc/12/76/32/249127632.db2.gz LBJKQBYBOMJFDH-CZUORRHYSA-N 1 3 295.430 3.229 20 0 CGADHO CC(C)CCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000314265257 249095611 /nfs/dbraw/zinc/09/56/11/249095611.db2.gz IRYMAESQRFCQBV-MRXNPFEDSA-N 1 3 292.467 3.399 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)C1 ZINC000250453993 377559772 /nfs/dbraw/zinc/55/97/72/377559772.db2.gz ZWTMROSYOTZODY-NEPJUHHUSA-N 1 3 284.806 3.472 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000251154450 377574427 /nfs/dbraw/zinc/57/44/27/377574427.db2.gz IXYBPMTUZNBUKL-FPQWYMTMSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251154450 377574431 /nfs/dbraw/zinc/57/44/31/377574431.db2.gz IXYBPMTUZNBUKL-FPQWYMTMSA-N 1 3 284.447 3.457 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000514760688 249188080 /nfs/dbraw/zinc/18/80/80/249188080.db2.gz UADKSNGBFLYBKR-DJIMGWMZSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000251233643 377578284 /nfs/dbraw/zinc/57/82/84/377578284.db2.gz BTEGCKPOUXRJKS-WBIUFABUSA-N 1 3 268.351 3.133 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650829 249239962 /nfs/dbraw/zinc/23/99/62/249239962.db2.gz VAXBMQFJONVVSI-SJLPKXTDSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650829 249239964 /nfs/dbraw/zinc/23/99/64/249239964.db2.gz VAXBMQFJONVVSI-SJLPKXTDSA-N 1 3 274.452 3.358 20 0 CGADHO C[NH2+]C[C@H]1CCCN(C[C@@H](c2ccccc2)C(C)C)C1 ZINC000516650829 249239967 /nfs/dbraw/zinc/23/99/67/249239967.db2.gz VAXBMQFJONVVSI-SJLPKXTDSA-N 1 3 274.452 3.358 20 0 CGADHO C[NH+](C)CCC1CCN(C/C=C/c2ccccc2)CC1 ZINC000515775135 249219819 /nfs/dbraw/zinc/21/98/19/249219819.db2.gz BRZAXXQADGVACH-RMKNXTFCSA-N 1 3 272.436 3.364 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@H](C)c2ccc3ccccc3c2)C1 ZINC000251592242 377588061 /nfs/dbraw/zinc/58/80/61/377588061.db2.gz XVUOFGYVOGGMPW-CABCVRRESA-N 1 3 268.404 3.442 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000251770976 377598574 /nfs/dbraw/zinc/59/85/74/377598574.db2.gz MLMRVICGAOKUKF-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CC=C(C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000341538442 377605092 /nfs/dbraw/zinc/60/50/92/377605092.db2.gz AUIMOUPAZXXJDA-UHFFFAOYSA-N 1 3 290.373 3.207 20 0 CGADHO CCCCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000252935123 377669659 /nfs/dbraw/zinc/66/96/59/377669659.db2.gz FEEXQZPSZLBEFM-BRWVUGGUSA-N 1 3 282.472 3.094 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000261577880 377820719 /nfs/dbraw/zinc/82/07/19/377820719.db2.gz CXMFFJXPPMUTTJ-FPMFFAJLSA-N 1 3 278.465 3.215 20 0 CGADHO C[C@@]1(CN2CCC(Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261925543 377869426 /nfs/dbraw/zinc/86/94/26/377869426.db2.gz CBYIZGUQTHQJEX-GOSISDBHSA-N 1 3 290.426 3.080 20 0 CGADHO C[NH2+]CC1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000261947686 377871277 /nfs/dbraw/zinc/87/12/77/377871277.db2.gz MNQJNHICBAOPEG-UHFFFAOYSA-N 1 3 298.430 3.150 20 0 CGADHO Cc1ccccc1C[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261962711 377874337 /nfs/dbraw/zinc/87/43/37/377874337.db2.gz HLQWEZBAMMRTMM-MSOLQXFVSA-N 1 3 272.436 3.002 20 0 CGADHO CN(Cc1cccc2ccccc21)C[C@]1(C)CC[NH2+]C1 ZINC000261749702 377849124 /nfs/dbraw/zinc/84/91/24/377849124.db2.gz JRZXPXJKTNLJDH-GOSISDBHSA-N 1 3 268.404 3.271 20 0 CGADHO C[C@]1(CN2CCCC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751349 377849298 /nfs/dbraw/zinc/84/92/98/377849298.db2.gz JWEGKZWNGNXXPO-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO CC(C)CN(Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767898 377851304 /nfs/dbraw/zinc/85/13/04/377851304.db2.gz MGVFOLLYUDTRDH-KRWDZBQOSA-N 1 3 260.425 3.144 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000261824824 377856964 /nfs/dbraw/zinc/85/69/64/377856964.db2.gz AWSLQGOTCXPXAU-MJGOQNOKSA-N 1 3 291.398 3.445 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@H]1CCCNC1 ZINC000578518471 378077326 /nfs/dbraw/zinc/07/73/26/378077326.db2.gz FSTVIDFAKYAQPF-UBDQQSCGSA-N 1 3 272.436 3.158 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890328 378021651 /nfs/dbraw/zinc/02/16/51/378021651.db2.gz CCLXFLBFRHOMQR-ULQDDVLXSA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890328 378021656 /nfs/dbraw/zinc/02/16/56/378021656.db2.gz CCLXFLBFRHOMQR-ULQDDVLXSA-N 1 3 294.483 3.140 20 0 CGADHO CSc1cc(C)ccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000579024322 378123513 /nfs/dbraw/zinc/12/35/13/378123513.db2.gz FYEXABJOPCKTNH-KBPBESRZSA-N 1 3 264.438 3.076 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000356694330 284686337 /nfs/dbraw/zinc/68/63/37/284686337.db2.gz JUDYZTJWDRJLFO-BBWFWOEESA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893503 378145588 /nfs/dbraw/zinc/14/55/88/378145588.db2.gz DPEVYKWSXCJKOR-VQIMIIECSA-N 1 3 297.446 3.168 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893503 378145590 /nfs/dbraw/zinc/14/55/90/378145590.db2.gz DPEVYKWSXCJKOR-VQIMIIECSA-N 1 3 297.446 3.168 20 0 CGADHO CCN(CCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345188495 378218206 /nfs/dbraw/zinc/21/82/06/378218206.db2.gz KVHNWRGNDYEKFB-OAHLLOKOSA-N 1 3 296.842 3.183 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000579554083 378171650 /nfs/dbraw/zinc/17/16/50/378171650.db2.gz HRGKWRBJESCGDU-ZSHCYNCHSA-N 1 3 270.461 3.041 20 0 CGADHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695289 378183682 /nfs/dbraw/zinc/18/36/82/378183682.db2.gz ODGADTUNCRVLMM-JHNDHUHGSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695289 378183687 /nfs/dbraw/zinc/18/36/87/378183687.db2.gz ODGADTUNCRVLMM-JHNDHUHGSA-N 1 3 296.524 3.371 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000582295227 378300952 /nfs/dbraw/zinc/30/09/52/378300952.db2.gz JXRVZWWKOMKSKI-PNPHSEOMSA-N 1 3 287.451 3.326 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265097 378485975 /nfs/dbraw/zinc/48/59/75/378485975.db2.gz IAXYHZSPZSLXIB-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265097 378485981 /nfs/dbraw/zinc/48/59/81/378485981.db2.gz IAXYHZSPZSLXIB-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265097 378485990 /nfs/dbraw/zinc/48/59/90/378485990.db2.gz IAXYHZSPZSLXIB-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC000271265097 378485994 /nfs/dbraw/zinc/48/59/94/378485994.db2.gz IAXYHZSPZSLXIB-HKUYNNGSSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000271882101 378510007 /nfs/dbraw/zinc/51/00/07/378510007.db2.gz POPALPFVMCPAOJ-QGZVFWFLSA-N 1 3 270.420 3.261 20 0 CGADHO C[C@H]([NH2+][C@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000346577661 378630894 /nfs/dbraw/zinc/63/08/94/378630894.db2.gz RBIWUQMXEGRHBI-BBRMVZONSA-N 1 3 276.424 3.076 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C1(C)C ZINC000346882646 378696893 /nfs/dbraw/zinc/69/68/93/378696893.db2.gz YSFFWNRAEQGZLZ-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH+]2CCCCC2)C1(C)C ZINC000346882646 378696903 /nfs/dbraw/zinc/69/69/03/378696903.db2.gz YSFFWNRAEQGZLZ-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667852 378669812 /nfs/dbraw/zinc/66/98/12/378669812.db2.gz ZEIRGFXZKTZPIC-OCCSQVGLSA-N 1 3 298.377 3.074 20 0 CGADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347938370 378734907 /nfs/dbraw/zinc/73/49/07/378734907.db2.gz SGVIZSOGXNJOGT-DZGCQCFKSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346998991 378703863 /nfs/dbraw/zinc/70/38/63/378703863.db2.gz YDCHBQKBANWORN-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346998991 378703865 /nfs/dbraw/zinc/70/38/65/378703865.db2.gz YDCHBQKBANWORN-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO CO[C@H](CNC1CC[NH+](C2CCC2)CC1)C1CCCCC1 ZINC000638424749 378797931 /nfs/dbraw/zinc/79/79/31/378797931.db2.gz JFRPQSDVPJXOSI-GOSISDBHSA-N 1 3 294.483 3.188 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158042 378817278 /nfs/dbraw/zinc/81/72/78/378817278.db2.gz HAZIMZBZXKNERC-SJLPKXTDSA-N 1 3 288.435 3.014 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158042 378817280 /nfs/dbraw/zinc/81/72/80/378817280.db2.gz HAZIMZBZXKNERC-SJLPKXTDSA-N 1 3 288.435 3.014 20 0 CGADHO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346851143 218036558 /nfs/dbraw/zinc/03/65/58/218036558.db2.gz QOALTKPADLMXIQ-SJLPKXTDSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346851143 218036560 /nfs/dbraw/zinc/03/65/60/218036560.db2.gz QOALTKPADLMXIQ-SJLPKXTDSA-N 1 3 272.436 3.002 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348262078 378871660 /nfs/dbraw/zinc/87/16/60/378871660.db2.gz QFEMSHKDIASHJQ-NXHRZFHOSA-N 1 3 272.436 3.112 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)CC1 ZINC000277321158 379132359 /nfs/dbraw/zinc/13/23/59/379132359.db2.gz VCDFHEGTEPCYFC-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC000277321158 379132369 /nfs/dbraw/zinc/13/23/69/379132369.db2.gz VCDFHEGTEPCYFC-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)CC[NH+](C)C ZINC000349204172 379188599 /nfs/dbraw/zinc/18/85/99/379188599.db2.gz WAKKTSSWOHGYRM-FMKPAKJESA-N 1 3 260.425 3.473 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000278866477 194190132 /nfs/dbraw/zinc/19/01/32/194190132.db2.gz MLTDCLQVFYOOBZ-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO CC[C@H]1C[C@@H](C[N@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410945 379269245 /nfs/dbraw/zinc/26/92/45/379269245.db2.gz VFWVMDIPJVLOAE-IRXDYDNUSA-N 1 3 284.488 3.245 20 0 CGADHO CC[C@H]1C[C@@H](C[N@@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410945 379269252 /nfs/dbraw/zinc/26/92/52/379269252.db2.gz VFWVMDIPJVLOAE-IRXDYDNUSA-N 1 3 284.488 3.245 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000278330612 379349746 /nfs/dbraw/zinc/34/97/46/379349746.db2.gz DLZPSVHCOJOLHO-INIZCTEOSA-N 1 3 272.436 3.338 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000278330612 379349756 /nfs/dbraw/zinc/34/97/56/379349756.db2.gz DLZPSVHCOJOLHO-INIZCTEOSA-N 1 3 272.436 3.338 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280731881 379776001 /nfs/dbraw/zinc/77/60/01/379776001.db2.gz GYZKVPHBPZQVPS-VDHUWJSZSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280731881 379776007 /nfs/dbraw/zinc/77/60/07/379776007.db2.gz GYZKVPHBPZQVPS-VDHUWJSZSA-N 1 3 288.410 3.288 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000380480441 379865356 /nfs/dbraw/zinc/86/53/56/379865356.db2.gz UHNMQUXXDQWABS-CABCVRRESA-N 1 3 278.440 3.322 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352751420 379940033 /nfs/dbraw/zinc/94/00/33/379940033.db2.gz VJRXBTVXUUONSV-HZPDHXFCSA-N 1 3 272.392 3.395 20 0 CGADHO CC(C)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000409445178 380031936 /nfs/dbraw/zinc/03/19/36/380031936.db2.gz HTAOVYYIVQVVTP-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000409445178 380031940 /nfs/dbraw/zinc/03/19/40/380031940.db2.gz HTAOVYYIVQVVTP-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000409445178 380031943 /nfs/dbraw/zinc/03/19/43/380031943.db2.gz HTAOVYYIVQVVTP-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000409445178 380031948 /nfs/dbraw/zinc/03/19/48/380031948.db2.gz HTAOVYYIVQVVTP-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000410389516 380090966 /nfs/dbraw/zinc/09/09/66/380090966.db2.gz MODFDLHLLBDUGL-JKSUJKDBSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410389516 380090973 /nfs/dbraw/zinc/09/09/73/380090973.db2.gz MODFDLHLLBDUGL-JKSUJKDBSA-N 1 3 254.462 3.332 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](C)CC(C)C)C1 ZINC000410389516 380090976 /nfs/dbraw/zinc/09/09/76/380090976.db2.gz MODFDLHLLBDUGL-JKSUJKDBSA-N 1 3 254.462 3.332 20 0 CGADHO CCCc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000642341881 380167475 /nfs/dbraw/zinc/16/74/75/380167475.db2.gz OJRPXAIQURDEAC-QGZVFWFLSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000642341881 380167482 /nfs/dbraw/zinc/16/74/82/380167482.db2.gz OJRPXAIQURDEAC-QGZVFWFLSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000642341881 380167490 /nfs/dbraw/zinc/16/74/90/380167490.db2.gz OJRPXAIQURDEAC-QGZVFWFLSA-N 1 3 272.436 3.213 20 0 CGADHO CSC1(CNCc2cc(C)ccc2F)CC[NH+](C)CC1 ZINC000353187759 380158824 /nfs/dbraw/zinc/15/88/24/380158824.db2.gz GEMYLXBAEBMANO-UHFFFAOYSA-N 1 3 296.455 3.051 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945740 380247331 /nfs/dbraw/zinc/24/73/31/380247331.db2.gz BZYKFXRZSJOYJV-IJLUTSLNSA-N 1 3 278.362 3.037 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945740 380247334 /nfs/dbraw/zinc/24/73/34/380247334.db2.gz BZYKFXRZSJOYJV-IJLUTSLNSA-N 1 3 278.362 3.037 20 0 CGADHO CC[N@@H+]1CC[C@H](NCC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353953587 380252936 /nfs/dbraw/zinc/25/29/36/380252936.db2.gz GHLCHKNANUOYKJ-NEPJUHHUSA-N 1 3 278.362 3.039 20 0 CGADHO CC[N@H+]1CC[C@H](NCC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353953587 380252943 /nfs/dbraw/zinc/25/29/43/380252943.db2.gz GHLCHKNANUOYKJ-NEPJUHHUSA-N 1 3 278.362 3.039 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CNC2CCC(C[NH3+])CC2)o1 ZINC000643472016 380317264 /nfs/dbraw/zinc/31/72/64/380317264.db2.gz DRBZATRHFVJFFC-LFUGVXIPSA-N 1 3 262.397 3.010 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000643512472 380333621 /nfs/dbraw/zinc/33/36/21/380333621.db2.gz ZLHAWGUAPIUFDI-FZCLSBEQSA-N 1 3 287.451 3.215 20 0 CGADHO Cc1noc(C)c1[C@H](C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643471072 380315622 /nfs/dbraw/zinc/31/56/22/380315622.db2.gz XVLFFWLDCGRWKN-DVOMOZLQSA-N 1 3 293.455 3.295 20 0 CGADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000643548471 380364521 /nfs/dbraw/zinc/36/45/21/380364521.db2.gz PYORUJKONIOFEO-CABCVRRESA-N 1 3 288.435 3.329 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643548920 380364736 /nfs/dbraw/zinc/36/47/36/380364736.db2.gz XLGJXGFPXQFPLM-LSDHHAIUSA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CCC[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643548926 380365197 /nfs/dbraw/zinc/36/51/97/380365197.db2.gz XQBISSQVRHJTPJ-KGLIPLIRSA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@H](CC)CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414771692 380397305 /nfs/dbraw/zinc/39/73/05/380397305.db2.gz AGYOJMUBPWJVPU-DLBZAZTESA-N 1 3 296.499 3.280 20 0 CGADHO CCCC[C@H](CC)CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414771692 380397308 /nfs/dbraw/zinc/39/73/08/380397308.db2.gz AGYOJMUBPWJVPU-DLBZAZTESA-N 1 3 296.499 3.280 20 0 CGADHO Cc1csc(C2(NC[C@H]3CC[NH2+][C@@H](C)C3)CCCC2)n1 ZINC000414716970 380385955 /nfs/dbraw/zinc/38/59/55/380385955.db2.gz YONHEZYQPLJAAQ-JSGCOSHPSA-N 1 3 293.480 3.199 20 0 CGADHO CC[N@H+](CCCN)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000414748061 380390856 /nfs/dbraw/zinc/39/08/56/380390856.db2.gz UBOQZHRQJLNRME-INIZCTEOSA-N 1 3 266.404 3.064 20 0 CGADHO CC[N@@H+](CCCN)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000414748061 380390858 /nfs/dbraw/zinc/39/08/58/380390858.db2.gz UBOQZHRQJLNRME-INIZCTEOSA-N 1 3 266.404 3.064 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@H+](C)[C@H]1CCCNCC1 ZINC000414748473 380391417 /nfs/dbraw/zinc/39/14/17/380391417.db2.gz IPSFJZJJIILLGO-WMZOPIPTSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000414748473 380391425 /nfs/dbraw/zinc/39/14/25/380391425.db2.gz IPSFJZJJIILLGO-WMZOPIPTSA-N 1 3 274.452 3.329 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000643523300 380339786 /nfs/dbraw/zinc/33/97/86/380339786.db2.gz ZSBVSLRLEDIFCC-DYVFJYSZSA-N 1 3 283.419 3.277 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)N)c1ccc(Cl)c(Cl)c1 ZINC000643525913 380341384 /nfs/dbraw/zinc/34/13/84/380341384.db2.gz IGHJWYHQOVYGTJ-PRHODGIISA-N 1 3 261.196 3.381 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(F)c1 ZINC000643535703 380352318 /nfs/dbraw/zinc/35/23/18/380352318.db2.gz OSMCLTDEZWXIGO-YGRLFVJLSA-N 1 3 282.790 3.272 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCNC3(CCC3)C1)CC2 ZINC000643545745 380357609 /nfs/dbraw/zinc/35/76/09/380357609.db2.gz BLAWORYTBGCJEN-WBVHZDCISA-N 1 3 270.420 3.247 20 0 CGADHO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000414663074 380358459 /nfs/dbraw/zinc/35/84/59/380358459.db2.gz AQUCTLICEVOKOG-GUTXKFCHSA-N 1 3 298.352 3.183 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)ccc1C(F)(F)F ZINC000414663922 380358617 /nfs/dbraw/zinc/35/86/17/380358617.db2.gz SKFHUJOKYCWTJA-AAEUAGOBSA-N 1 3 286.341 3.183 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643546146 380359914 /nfs/dbraw/zinc/35/99/14/380359914.db2.gz JQDZAJALOZIYBQ-MSOLQXFVSA-N 1 3 284.447 3.272 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)[C@H]1CCCNC1 ZINC000414821746 380432124 /nfs/dbraw/zinc/43/21/24/380432124.db2.gz LRMIMJNGTNYBOX-DSLXNQLJSA-N 1 3 286.463 3.376 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414826000 380435108 /nfs/dbraw/zinc/43/51/08/380435108.db2.gz UYJMNLRZONAEBF-FMKPAKJESA-N 1 3 278.415 3.125 20 0 CGADHO CNC[C@H](C)C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000414832691 380440393 /nfs/dbraw/zinc/44/03/93/380440393.db2.gz FOVBKGDFUPWROZ-KRWDZBQOSA-N 1 3 296.458 3.286 20 0 CGADHO C[NH2+]C[C@H](C)CNC(Cc1ccccc1)Cc1ccccc1 ZINC000414832691 380440398 /nfs/dbraw/zinc/44/03/98/380440398.db2.gz FOVBKGDFUPWROZ-KRWDZBQOSA-N 1 3 296.458 3.286 20 0 CGADHO C[C@@H](NCC1([NH3+])CCCCC1)[C@H](C)c1ccccc1 ZINC000414842825 380447475 /nfs/dbraw/zinc/44/74/75/380447475.db2.gz MZILLNNVKMCHBU-LSDHHAIUSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)NCC1([NH3+])CCCCC1 ZINC000414846504 380452114 /nfs/dbraw/zinc/45/21/14/380452114.db2.gz STPPGBQKYRKSJX-CYBMUJFWSA-N 1 3 264.388 3.008 20 0 CGADHO Fc1cc(Cl)ccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780849 380400853 /nfs/dbraw/zinc/40/08/53/380400853.db2.gz MBGKBPKTWJNYAF-OLZOCXBDSA-N 1 3 296.817 3.301 20 0 CGADHO C[C@@H]1CC2(CN1Cc1cscc1Cl)CC[NH2+]CC2 ZINC000643973744 380403985 /nfs/dbraw/zinc/40/39/85/380403985.db2.gz BAEBEAKJUZDJEB-LLVKDONJSA-N 1 3 284.856 3.366 20 0 CGADHO Cc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788089 380405398 /nfs/dbraw/zinc/40/53/98/380405398.db2.gz WEKJLCNSUCHOQO-HZPDHXFCSA-N 1 3 292.854 3.470 20 0 CGADHO CC(C)(C)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000414794496 380408403 /nfs/dbraw/zinc/40/84/03/380408403.db2.gz FVHWOVAXWJTTFX-AAEUAGOBSA-N 1 3 266.454 3.263 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc2ccccc2o1 ZINC000414798045 380411271 /nfs/dbraw/zinc/41/12/71/380411271.db2.gz IYWHWEIZCHPRDY-UKRRQHHQSA-N 1 3 258.365 3.040 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1ccc2ccccc2c1 ZINC000414809178 380420930 /nfs/dbraw/zinc/42/09/30/380420930.db2.gz URHKHWNWEJLGEC-UHFFFAOYSA-N 1 3 256.393 3.447 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414908200 380485622 /nfs/dbraw/zinc/48/56/22/380485622.db2.gz ODGGUAOCHPQWTC-ZWKOTPCHSA-N 1 3 274.452 3.295 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000414907958 380486610 /nfs/dbraw/zinc/48/66/10/380486610.db2.gz CDCSYTCXFIRJBQ-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414925135 380491549 /nfs/dbraw/zinc/49/15/49/380491549.db2.gz LASVNBAOVKOAFV-DAXOMENPSA-N 1 3 264.388 3.006 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000414929888 380494124 /nfs/dbraw/zinc/49/41/24/380494124.db2.gz AAUASICANSONKN-QXSJWSMHSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414947947 380503044 /nfs/dbraw/zinc/50/30/44/380503044.db2.gz LOVIKGLWUPXNPY-TUAOUCFPSA-N 1 3 286.872 3.453 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414947947 380503051 /nfs/dbraw/zinc/50/30/51/380503051.db2.gz LOVIKGLWUPXNPY-TUAOUCFPSA-N 1 3 286.872 3.453 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414985819 380504122 /nfs/dbraw/zinc/50/41/22/380504122.db2.gz IBZYNTFGFQVHJF-CORIIIEPSA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000415081515 380507294 /nfs/dbraw/zinc/50/72/94/380507294.db2.gz KORLLYMGVUJNAG-XQQFMLRXSA-N 1 3 252.427 3.177 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)c1cccs1 ZINC000415081515 380507298 /nfs/dbraw/zinc/50/72/98/380507298.db2.gz KORLLYMGVUJNAG-XQQFMLRXSA-N 1 3 252.427 3.177 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC(C)(C)c1ccccc1F ZINC000415074327 380507648 /nfs/dbraw/zinc/50/76/48/380507648.db2.gz CHSCIPZSRWCVAD-ZIAGYGMSSA-N 1 3 278.415 3.224 20 0 CGADHO c1ccc([C@H]2C[N@@H+](C[C@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130165 380509575 /nfs/dbraw/zinc/50/95/75/380509575.db2.gz WDEVNZCADLHOLN-FUHWJXTLSA-N 1 3 284.447 3.256 20 0 CGADHO c1ccc([C@H]2C[N@H+](C[C@H]3CCCNC3)CC23CCC3)cc1 ZINC000415130165 380509577 /nfs/dbraw/zinc/50/95/77/380509577.db2.gz WDEVNZCADLHOLN-FUHWJXTLSA-N 1 3 284.447 3.256 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414858682 380459210 /nfs/dbraw/zinc/45/92/10/380459210.db2.gz KPLCSPSRIWSETK-GJZGRUSLSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414858682 380459217 /nfs/dbraw/zinc/45/92/17/380459217.db2.gz KPLCSPSRIWSETK-GJZGRUSLSA-N 1 3 266.816 3.175 20 0 CGADHO Fc1ccc(/C=C\CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414872060 380469012 /nfs/dbraw/zinc/46/90/12/380469012.db2.gz FODHDQZAKMRSJN-RJRFIUFISA-N 1 3 299.393 3.003 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000414877330 380472578 /nfs/dbraw/zinc/47/25/78/380472578.db2.gz MKUSCMTYWJQMTP-NXEZZACHSA-N 1 3 275.223 3.109 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](C)Cc1c(Cl)cccc1Cl ZINC000414877330 380472586 /nfs/dbraw/zinc/47/25/86/380472586.db2.gz MKUSCMTYWJQMTP-NXEZZACHSA-N 1 3 275.223 3.109 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000414885304 380474396 /nfs/dbraw/zinc/47/43/96/380474396.db2.gz WSLVPWDWDYPHQM-MUIFIZLQSA-N 1 3 260.425 3.143 20 0 CGADHO [NH3+][C@H](CNCCCc1c(Cl)cccc1Cl)C1CC1 ZINC000414892918 380475979 /nfs/dbraw/zinc/47/59/79/380475979.db2.gz QJICLCCXHNBUKS-CQSZACIVSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NC[C@@H]([NH3+])C1CC1 ZINC000414895485 380477748 /nfs/dbraw/zinc/47/77/48/380477748.db2.gz XQDGFIDEMPQWNH-BXKDBHETSA-N 1 3 272.845 3.050 20 0 CGADHO C[C@@H](C[NH2+]C[C@@]1(C)CCCNC1)c1cccc(Cl)c1 ZINC000414899106 380480211 /nfs/dbraw/zinc/48/02/11/380480211.db2.gz CFPGREWJCLTBCV-BBRMVZONSA-N 1 3 280.843 3.423 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1COC(C)(C)C1 ZINC000417952735 380687929 /nfs/dbraw/zinc/68/79/29/380687929.db2.gz CTKCIDPOGMGLRD-JYJNAYRXSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000417952735 380687935 /nfs/dbraw/zinc/68/79/35/380687935.db2.gz CTKCIDPOGMGLRD-JYJNAYRXSA-N 1 3 282.472 3.044 20 0 CGADHO CCSCCNCc1ccccc1C[NH+](CC)CC ZINC000355745272 380767116 /nfs/dbraw/zinc/76/71/16/380767116.db2.gz ZLLDNAOBMLZHOP-UHFFFAOYSA-N 1 3 280.481 3.371 20 0 CGADHO Clc1cccc2c1CCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420306571 380843988 /nfs/dbraw/zinc/84/39/88/380843988.db2.gz QLAYZOJKMJUHRQ-ZDUSSCGKSA-N 1 3 278.827 3.088 20 0 CGADHO Cc1csc([C@@H]2CCCCN2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420315068 380847145 /nfs/dbraw/zinc/84/71/45/380847145.db2.gz KVBSHPZAOQOXJI-CABCVRRESA-N 1 3 293.480 3.368 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420365518 380852841 /nfs/dbraw/zinc/85/28/41/380852841.db2.gz LFLFTYSZZNGQMV-HYVNUMGLSA-N 1 3 282.472 3.079 20 0 CGADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000356844323 380898412 /nfs/dbraw/zinc/89/84/12/380898412.db2.gz HQDBHRQXOXNECE-TVFCKZIOSA-N 1 3 284.447 3.285 20 0 CGADHO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CCOCC[NH3+] ZINC000357073632 381019932 /nfs/dbraw/zinc/01/99/32/381019932.db2.gz HZKBSXFHTMRVJO-MRXNPFEDSA-N 1 3 298.430 3.322 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2c1cccc2C ZINC000359280502 381342526 /nfs/dbraw/zinc/34/25/26/381342526.db2.gz HFXJJRDWJWHJPT-KRWDZBQOSA-N 1 3 260.425 3.304 20 0 CGADHO COC1(C[NH2+]Cc2cccc(CN(C)C)c2)CCCCC1 ZINC000359974236 381395024 /nfs/dbraw/zinc/39/50/24/381395024.db2.gz FSUCFBCCSYBEBF-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO Cc1nc([C@H](C)NCC2(C)CC[NH+](C)CC2)c(C)s1 ZINC000227496823 542294526 /nfs/dbraw/zinc/29/45/26/542294526.db2.gz BNNXMUGLBUNIOF-NSHDSACASA-N 1 3 281.469 3.142 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC000228536670 542299019 /nfs/dbraw/zinc/29/90/19/542299019.db2.gz TWKYPWZGCJWARK-KZNAEPCWSA-N 1 3 270.420 3.123 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000236845088 542316630 /nfs/dbraw/zinc/31/66/30/542316630.db2.gz BOKAHWYCZCVALQ-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO COc1cccc(Cl)c1CN[C@H](C)C1CC[NH+](C)CC1 ZINC000234935563 542309669 /nfs/dbraw/zinc/30/96/69/542309669.db2.gz JSVWGOUDNSNOFZ-GFCCVEGCSA-N 1 3 296.842 3.169 20 0 CGADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]CCCN3CCCC3)C2)c1 ZINC000367042911 382331454 /nfs/dbraw/zinc/33/14/54/382331454.db2.gz LNHWJSNPQWQSFB-SJLPKXTDSA-N 1 3 287.451 3.183 20 0 CGADHO Cc1cccc2c(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000246717111 542328112 /nfs/dbraw/zinc/32/81/12/542328112.db2.gz NNRKQIOCZRNHGM-SJORKVTESA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2c(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000246717111 542328117 /nfs/dbraw/zinc/32/81/17/542328117.db2.gz NNRKQIOCZRNHGM-SJORKVTESA-N 1 3 297.446 3.235 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000353822059 220349835 /nfs/dbraw/zinc/34/98/35/220349835.db2.gz UDMVZIZETSJKSF-JKIFEVAISA-N 1 3 276.424 3.076 20 0 CGADHO COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423314387 533177537 /nfs/dbraw/zinc/17/75/37/533177537.db2.gz GXSGIUFOCMETBU-ROUUACIJSA-N 1 3 290.451 3.499 20 0 CGADHO COc1ccc([C@H](CCC(C)C)NC[C@@H](C)C[NH3+])cc1 ZINC000423297486 533177802 /nfs/dbraw/zinc/17/78/02/533177802.db2.gz KKWKMNUEFTUSMP-YOEHRIQHSA-N 1 3 278.440 3.357 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)NC[C@@H](C)C[NH3+])cc1 ZINC000423316164 533189908 /nfs/dbraw/zinc/18/99/08/533189908.db2.gz ZPCKXORYULDRDY-KXBFYZLASA-N 1 3 298.430 3.163 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348077730 542513428 /nfs/dbraw/zinc/51/34/28/542513428.db2.gz DZAMDNMFNHGDKI-KBMXLJTQSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CC[C@H]1C1CC1)C(C)C ZINC000348119031 542516654 /nfs/dbraw/zinc/51/66/54/542516654.db2.gz FOPJSZPJCLNJHK-HOTGVXAUSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)N(CCC[NH2+][C@H]1CC[C@H]1C1CC1)C(C)C ZINC000348119031 542516661 /nfs/dbraw/zinc/51/66/61/542516661.db2.gz FOPJSZPJCLNJHK-HOTGVXAUSA-N 1 3 252.446 3.274 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000281514677 195271140 /nfs/dbraw/zinc/27/11/40/195271140.db2.gz HJNNNGSDVDYCSI-QZTJIDSGSA-N 1 3 299.462 3.268 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(OCC(F)(F)F)cc1 ZINC000423289945 533351791 /nfs/dbraw/zinc/35/17/91/533351791.db2.gz YOVLPVZWSMYBIH-SNVBAGLBSA-N 1 3 290.329 3.016 20 0 CGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C1CCCCC1 ZINC000093488711 533370305 /nfs/dbraw/zinc/37/03/05/533370305.db2.gz ZDSXIMNNTYIIIP-IXDOHACOSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423327735 533425344 /nfs/dbraw/zinc/42/53/44/533425344.db2.gz DFWXIQMZQZPYSV-UBDQQSCGSA-N 1 3 272.436 3.158 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365001539 533439157 /nfs/dbraw/zinc/43/91/57/533439157.db2.gz MYPLUORZGVIJKP-SPUZQDLCSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000365001539 533439160 /nfs/dbraw/zinc/43/91/60/533439160.db2.gz MYPLUORZGVIJKP-SPUZQDLCSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccncc1 ZINC000423517454 533510093 /nfs/dbraw/zinc/51/00/93/533510093.db2.gz YWJCVZJVKACWGE-PBHICJAKSA-N 1 3 269.392 3.212 20 0 CGADHO c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000411308230 542629939 /nfs/dbraw/zinc/62/99/39/542629939.db2.gz HYCPZURFQXMERS-BHIYHBOVSA-N 1 3 284.447 3.350 20 0 CGADHO c1ccc([C@H]2C[C@H]2[N@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000411308230 542629942 /nfs/dbraw/zinc/62/99/42/542629942.db2.gz HYCPZURFQXMERS-BHIYHBOVSA-N 1 3 284.447 3.350 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CC1(COC)CCC1 ZINC000361336355 392278243 /nfs/dbraw/zinc/27/82/43/392278243.db2.gz PSFFJLCHSLPIHJ-IAGOWNOFSA-N 1 3 296.499 3.293 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251151781 131128240 /nfs/dbraw/zinc/12/82/40/131128240.db2.gz HXMLXLXGTLRYRP-SZMVWBNQSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251151781 131128242 /nfs/dbraw/zinc/12/82/42/131128242.db2.gz HXMLXLXGTLRYRP-SZMVWBNQSA-N 1 3 272.436 3.142 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000111695706 392381644 /nfs/dbraw/zinc/38/16/44/392381644.db2.gz SNJWBCUCAALJFI-PBHICJAKSA-N 1 3 260.425 3.369 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236041 542701460 /nfs/dbraw/zinc/70/14/60/542701460.db2.gz IDVNQKUDKCCIOS-WMZOPIPTSA-N 1 3 296.499 3.388 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCOC2CCCCCC2)[C@@H](C)C1 ZINC000471236041 542701461 /nfs/dbraw/zinc/70/14/61/542701461.db2.gz IDVNQKUDKCCIOS-WMZOPIPTSA-N 1 3 296.499 3.388 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000367093049 392470920 /nfs/dbraw/zinc/47/09/20/392470920.db2.gz IXYBPMTUZNBUKL-BRSBDYLESA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000367093049 392470924 /nfs/dbraw/zinc/47/09/24/392470924.db2.gz IXYBPMTUZNBUKL-BRSBDYLESA-N 1 3 284.447 3.457 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)s1 ZINC000163220629 392602710 /nfs/dbraw/zinc/60/27/10/392602710.db2.gz DSTINDWHTDSNHM-AAEUAGOBSA-N 1 3 281.469 3.006 20 0 CGADHO CC[C@@H](CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482515 392736366 /nfs/dbraw/zinc/73/63/66/392736366.db2.gz LJUDQKQREQMEIE-HNNXBMFYSA-N 1 3 272.436 3.397 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389342 392796995 /nfs/dbraw/zinc/79/69/95/392796995.db2.gz MLPNKVCVGVTUGV-RDTXWAMCSA-N 1 3 290.426 3.477 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCc2ccc(F)cc21 ZINC000510389342 392797001 /nfs/dbraw/zinc/79/70/01/392797001.db2.gz MLPNKVCVGVTUGV-RDTXWAMCSA-N 1 3 290.426 3.477 20 0 CGADHO Cc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)c(C)n1 ZINC000647803344 392805432 /nfs/dbraw/zinc/80/54/32/392805432.db2.gz WQIBCIKWBYMSLR-ZDUSSCGKSA-N 1 3 269.392 3.008 20 0 CGADHO Fc1ccccc1CCN(C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647879601 392822866 /nfs/dbraw/zinc/82/28/66/392822866.db2.gz YHSDAWWGFMLZQT-OAHLLOKOSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000647890098 392828799 /nfs/dbraw/zinc/82/87/99/392828799.db2.gz QHZAJTYNJYJELR-BFHYXJOUSA-N 1 3 280.843 3.373 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000380835263 392905593 /nfs/dbraw/zinc/90/55/93/392905593.db2.gz LSFJHJYATKITJO-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000377009957 392883186 /nfs/dbraw/zinc/88/31/86/392883186.db2.gz ODGAQDIOOQWSIF-NVXWUHKLSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000377009957 392883194 /nfs/dbraw/zinc/88/31/94/392883194.db2.gz ODGAQDIOOQWSIF-NVXWUHKLSA-N 1 3 296.499 3.434 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294195159 285509851 /nfs/dbraw/zinc/50/98/51/285509851.db2.gz LJMLUBDYOJNJTK-LJQANCHMSA-N 1 3 293.414 3.328 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881134 393007864 /nfs/dbraw/zinc/00/78/64/393007864.db2.gz CIXJQDVFGCMCEG-JKOKRWQUSA-N 1 3 266.454 3.498 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881134 393007867 /nfs/dbraw/zinc/00/78/67/393007867.db2.gz CIXJQDVFGCMCEG-JKOKRWQUSA-N 1 3 266.454 3.498 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CCN3CCC[C@H]3C1)C2 ZINC000648427497 393012648 /nfs/dbraw/zinc/01/26/48/393012648.db2.gz WQBZDNHDWLLFNT-FHWLQOOXSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000648427497 393012654 /nfs/dbraw/zinc/01/26/54/393012654.db2.gz WQBZDNHDWLLFNT-FHWLQOOXSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000648427497 393012658 /nfs/dbraw/zinc/01/26/58/393012658.db2.gz WQBZDNHDWLLFNT-FHWLQOOXSA-N 1 3 284.447 3.150 20 0 CGADHO CC(C)N1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000232658960 393026284 /nfs/dbraw/zinc/02/62/84/393026284.db2.gz PCXQGYHWFWVVEP-GOSISDBHSA-N 1 3 288.435 3.232 20 0 CGADHO CC(C)c1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000232762122 393026641 /nfs/dbraw/zinc/02/66/41/393026641.db2.gz IUIBRWAMQZVOSO-QGZVFWFLSA-N 1 3 260.425 3.384 20 0 CGADHO Fc1ccc(CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346837566 393096280 /nfs/dbraw/zinc/09/62/80/393096280.db2.gz WNCNXRUJIYCHCS-KRWDZBQOSA-N 1 3 290.426 3.080 20 0 CGADHO Fc1ccc(CC2CC[NH+](C[C@H]3CCCNC3)CC2)cc1 ZINC000346837566 393096288 /nfs/dbraw/zinc/09/62/88/393096288.db2.gz WNCNXRUJIYCHCS-KRWDZBQOSA-N 1 3 290.426 3.080 20 0 CGADHO Cc1cc(F)c(CN[C@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415019402 393099791 /nfs/dbraw/zinc/09/97/91/393099791.db2.gz VSDACQAEGXAOSC-LLVKDONJSA-N 1 3 272.795 3.395 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)N[C@H](C)[C@H](C)[NH3+] ZINC000415020198 393100069 /nfs/dbraw/zinc/10/00/69/393100069.db2.gz SNWUYCQFZQCOJP-KXUCPTDWSA-N 1 3 260.834 3.048 20 0 CGADHO C[C@H](CCC[NH3+])NCc1cc(C(F)(F)F)ccc1F ZINC000415025107 393101773 /nfs/dbraw/zinc/10/17/73/393101773.db2.gz QHJXSVJHMMOPLJ-SECBINFHSA-N 1 3 278.293 3.062 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000415031998 393104729 /nfs/dbraw/zinc/10/47/29/393104729.db2.gz HQTICHQPLHNBRD-MNOVXSKESA-N 1 3 278.783 3.303 20 0 CGADHO C[C@H]1NCCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952595 393061493 /nfs/dbraw/zinc/06/14/93/393061493.db2.gz KQQDFNCIXHFCTF-BXUZGUMPSA-N 1 3 260.406 3.131 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414980058 393076756 /nfs/dbraw/zinc/07/67/56/393076756.db2.gz OTPDHGNIKGOFNI-ZDUSSCGKSA-N 1 3 278.396 3.381 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2cc(Cl)ccc2F)C1 ZINC000414989543 393080702 /nfs/dbraw/zinc/08/07/02/393080702.db2.gz HMESIWBAVYNQKS-MFKMUULPSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@H](CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059478 393119806 /nfs/dbraw/zinc/11/98/06/393119806.db2.gz WZFNGLFDWKCHOB-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)CC[C@@H]([NH2+]C[C@H]1CCCNC1)C(C)(C)C ZINC000415080336 393134385 /nfs/dbraw/zinc/13/43/85/393134385.db2.gz JJTIXVINTPCHAO-LSDHHAIUSA-N 1 3 254.462 3.427 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000468358744 393137567 /nfs/dbraw/zinc/13/75/67/393137567.db2.gz VPPRTISTRACTJJ-UGUYLWEFSA-N 1 3 250.430 3.028 20 0 CGADHO Cc1cccc(C)c1OCCCNC[C@H]([NH3+])CC(C)C ZINC000415088765 393140104 /nfs/dbraw/zinc/14/01/04/393140104.db2.gz XWNWYQINZWKIEA-MRXNPFEDSA-N 1 3 278.440 3.035 20 0 CGADHO Clc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415091476 393143180 /nfs/dbraw/zinc/14/31/80/393143180.db2.gz QDTBQKCFLRUDFJ-ZACQAIPSSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000415135392 393156115 /nfs/dbraw/zinc/15/61/15/393156115.db2.gz WQJLCKWBGYOZKC-JFIYKMOQSA-N 1 3 274.452 3.172 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000415135392 393156120 /nfs/dbraw/zinc/15/61/20/393156120.db2.gz WQJLCKWBGYOZKC-JFIYKMOQSA-N 1 3 274.452 3.172 20 0 CGADHO C[NH+]1CCC([C@H]2CCN(Cc3cccc(F)c3F)C2)CC1 ZINC000270542334 393238655 /nfs/dbraw/zinc/23/86/55/393238655.db2.gz XPFFGRGKKOGJDP-AWEZNQCLSA-N 1 3 294.389 3.129 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000354205104 393241386 /nfs/dbraw/zinc/24/13/86/393241386.db2.gz GAOKEMQNSPZAIE-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000271904017 393255288 /nfs/dbraw/zinc/25/52/88/393255288.db2.gz WCSHUELDYVTRBS-UGSOOPFHSA-N 1 3 288.410 3.301 20 0 CGADHO COc1ccc([C@@H](CC(C)C)NCCC[NH+](C)C)cc1 ZINC000647280415 393422451 /nfs/dbraw/zinc/42/24/51/393422451.db2.gz MARHWLQNIVYGQD-QGZVFWFLSA-N 1 3 278.440 3.324 20 0 CGADHO CC[N@H+](CCCCC1CCOCC1)[C@@H]1CCCNCC1 ZINC000420307531 393457807 /nfs/dbraw/zinc/45/78/07/393457807.db2.gz IVVJHWCUASWNAR-QGZVFWFLSA-N 1 3 282.472 3.047 20 0 CGADHO CC[N@@H+](CCCCC1CCOCC1)[C@@H]1CCCNCC1 ZINC000420307531 393457812 /nfs/dbraw/zinc/45/78/12/393457812.db2.gz IVVJHWCUASWNAR-QGZVFWFLSA-N 1 3 282.472 3.047 20 0 CGADHO CCc1cccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420394425 393482930 /nfs/dbraw/zinc/48/29/30/393482930.db2.gz KMGHUWAMGSUMQT-QZTJIDSGSA-N 1 3 272.436 3.213 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(C)CC2CCCCC2)cc1 ZINC000420321711 393466598 /nfs/dbraw/zinc/46/65/98/393466598.db2.gz RLDVGPKXNDNQKF-KRWDZBQOSA-N 1 3 290.451 3.250 20 0 CGADHO Clc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420365197 393474953 /nfs/dbraw/zinc/47/49/53/393474953.db2.gz DTKGITHMAPJJMM-MLGOLLRUSA-N 1 3 278.827 3.380 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)CS1 ZINC000488433381 393510967 /nfs/dbraw/zinc/51/09/67/393510967.db2.gz QYCHMMCURSHZPC-DLBZAZTESA-N 1 3 292.492 3.368 20 0 CGADHO CCc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000488710566 393547481 /nfs/dbraw/zinc/54/74/81/393547481.db2.gz FQJOZZZWCMKDKE-IBGZPJMESA-N 1 3 295.430 3.329 20 0 CGADHO CCc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1 ZINC000488710566 393547483 /nfs/dbraw/zinc/54/74/83/393547483.db2.gz FQJOZZZWCMKDKE-IBGZPJMESA-N 1 3 295.430 3.329 20 0 CGADHO CN(CCCc1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000430591985 393581205 /nfs/dbraw/zinc/58/12/05/393581205.db2.gz GSKIGQZLULNCGH-UHFFFAOYSA-N 1 3 268.832 3.189 20 0 CGADHO C[C@H]([NH2+]CCCCF)c1ccc(OCCN(C)C)cc1 ZINC000361002703 393636325 /nfs/dbraw/zinc/63/63/25/393636325.db2.gz LCZUQVIXWYTRTJ-AWEZNQCLSA-N 1 3 282.403 3.027 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1c(Cl)cccc1Cl ZINC000422729767 393640859 /nfs/dbraw/zinc/64/08/59/393640859.db2.gz CGPFXFAXYFZPME-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1c(Cl)cccc1Cl ZINC000422729767 393640863 /nfs/dbraw/zinc/64/08/63/393640863.db2.gz CGPFXFAXYFZPME-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO CCc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422752896 393642234 /nfs/dbraw/zinc/64/22/34/393642234.db2.gz HUAJORGDZWJAIO-IPMKNSEASA-N 1 3 286.463 3.302 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000422787450 393642440 /nfs/dbraw/zinc/64/24/40/393642440.db2.gz MBYYUFJSPUGTPU-GCSSGZNBSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)(C)[C@@H]([NH2+]C1CCNCC1)c1cccc(F)c1 ZINC000422837800 393644689 /nfs/dbraw/zinc/64/46/89/393644689.db2.gz MVPATLFNNFDLRO-HNNXBMFYSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2c1cccc2Cl ZINC000422931184 393646444 /nfs/dbraw/zinc/64/64/44/393646444.db2.gz AXUFZSXXRGGQTA-BHDSKKPTSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C2CC2)cc1 ZINC000423071148 393650497 /nfs/dbraw/zinc/65/04/97/393650497.db2.gz HHLMILZAPPPENZ-CXAGYDPISA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423059762 393650525 /nfs/dbraw/zinc/65/05/25/393650525.db2.gz GLOZKWYKJHKRRY-CHWSQXEVSA-N 1 3 296.405 3.492 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423273750 393657347 /nfs/dbraw/zinc/65/73/47/393657347.db2.gz KZXVCVUGGYMGKX-IUIKQTSFSA-N 1 3 264.388 3.022 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C[C@@H](N)C2CC2)c2ccccc21 ZINC000423312852 393661181 /nfs/dbraw/zinc/66/11/81/393661181.db2.gz DVYDVEXVKXPRRC-CVEARBPZSA-N 1 3 258.409 3.126 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423450203 393667713 /nfs/dbraw/zinc/66/77/13/393667713.db2.gz SQYSAUQJPBIKFJ-BHDSKKPTSA-N 1 3 297.240 3.226 20 0 CGADHO CCc1ccccc1CC[N@H+](C)CCCN1CCCC1 ZINC000499912803 393812004 /nfs/dbraw/zinc/81/20/04/393812004.db2.gz LJUHYYRDFSXYNQ-UHFFFAOYSA-N 1 3 274.452 3.209 20 0 CGADHO CCc1ccccc1CC[N@@H+](C)CCCN1CCCC1 ZINC000499912803 393812009 /nfs/dbraw/zinc/81/20/09/393812009.db2.gz LJUHYYRDFSXYNQ-UHFFFAOYSA-N 1 3 274.452 3.209 20 0 CGADHO CC(C)c1cnc(CNC(C)(C)CCC[NH+](C)C)s1 ZINC000449529519 393884491 /nfs/dbraw/zinc/88/44/91/393884491.db2.gz XRQGRPCAESYLOP-UHFFFAOYSA-N 1 3 283.485 3.477 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995093 542832826 /nfs/dbraw/zinc/83/28/26/542832826.db2.gz DGFGNUCDMBFGOB-RYUDHWBXSA-N 1 3 278.362 3.372 20 0 CGADHO C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995380 542832936 /nfs/dbraw/zinc/83/29/36/542832936.db2.gz MHXNGWPSHSUGFT-HRCADAONSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)CC(C)(C)C1 ZINC000666995674 542833467 /nfs/dbraw/zinc/83/34/67/542833467.db2.gz WFXBGWXEHGQTCU-QLFBSQMISA-N 1 3 264.457 3.466 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995655 542833587 /nfs/dbraw/zinc/83/35/87/542833587.db2.gz VLKCBYUQLZMRIT-RHSMWYFYSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995655 542833590 /nfs/dbraw/zinc/83/35/90/542833590.db2.gz VLKCBYUQLZMRIT-RHSMWYFYSA-N 1 3 290.426 3.411 20 0 CGADHO Cc1noc(C)c1C[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000667005603 542835482 /nfs/dbraw/zinc/83/54/82/542835482.db2.gz POMORYBIIFBOEM-HEHGZKQESA-N 1 3 293.455 3.123 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000453056408 394155304 /nfs/dbraw/zinc/15/53/04/394155304.db2.gz BXSNKCKEILHBQZ-KBAYOESNSA-N 1 3 287.451 3.009 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1coc2ccccc12)CN(C)C ZINC000453227975 394212990 /nfs/dbraw/zinc/21/29/90/394212990.db2.gz DAUNUYISTWZLHV-KBPBESRZSA-N 1 3 274.408 3.151 20 0 CGADHO C[C@@H]1CC[C@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)O1 ZINC000453418317 394241249 /nfs/dbraw/zinc/24/12/49/394241249.db2.gz WFJMVBCKBDTALK-XYVMCAHJSA-N 1 3 294.483 3.187 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667820547 542932675 /nfs/dbraw/zinc/93/26/75/542932675.db2.gz BDCOQYDEMSXZHO-NJAFHUGGSA-N 1 3 276.468 3.419 20 0 CGADHO COC(C)(C)CCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336844995 292054927 /nfs/dbraw/zinc/05/49/27/292054927.db2.gz LLQWOAKHNVUYAV-DLBZAZTESA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336844995 292054928 /nfs/dbraw/zinc/05/49/28/292054928.db2.gz LLQWOAKHNVUYAV-DLBZAZTESA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000336844995 292054929 /nfs/dbraw/zinc/05/49/29/292054929.db2.gz LLQWOAKHNVUYAV-DLBZAZTESA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000336844995 292054930 /nfs/dbraw/zinc/05/49/30/292054930.db2.gz LLQWOAKHNVUYAV-DLBZAZTESA-N 1 3 296.499 3.388 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264915 543146862 /nfs/dbraw/zinc/14/68/62/543146862.db2.gz RAUWGTDDRRZWNM-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264915 543146863 /nfs/dbraw/zinc/14/68/63/543146863.db2.gz RAUWGTDDRRZWNM-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422702690 292081075 /nfs/dbraw/zinc/08/10/75/292081075.db2.gz FUXOQVULPYXCLU-DOTOQJQBSA-N 1 3 274.452 3.380 20 0 CGADHO COC(C)(C)[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000671115010 543159678 /nfs/dbraw/zinc/15/96/78/543159678.db2.gz JVQVNQUUPZRMSE-CQSZACIVSA-N 1 3 282.472 3.187 20 0 CGADHO COC(C)(C)[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000671115010 543159679 /nfs/dbraw/zinc/15/96/79/543159679.db2.gz JVQVNQUUPZRMSE-CQSZACIVSA-N 1 3 282.472 3.187 20 0 CGADHO C(CN1CCC(C[NH+]2CCCCCC2)CC1)OC1CCC1 ZINC000672536138 543215686 /nfs/dbraw/zinc/21/56/86/543215686.db2.gz IPOZXDYVRJHNSX-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394842807 397696699 /nfs/dbraw/zinc/69/66/99/397696699.db2.gz ZZGVHLPXXXPTEA-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO [NH3+]CC1(CCNCc2c(Cl)cccc2Cl)CC1 ZINC000650711728 397899169 /nfs/dbraw/zinc/89/91/69/397899169.db2.gz BFNJXHTZKDJHPC-UHFFFAOYSA-N 1 3 273.207 3.212 20 0 CGADHO C[C@@H](NCC1(c2ccccc2F)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000650740824 397904466 /nfs/dbraw/zinc/90/44/66/397904466.db2.gz SEJHRZOSLJBKOI-HUUCEWRRSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]([NH2+]CC1(c2ccccc2F)CCC1)[C@@H]1CCCNC1 ZINC000650740824 397904468 /nfs/dbraw/zinc/90/44/68/397904468.db2.gz SEJHRZOSLJBKOI-HUUCEWRRSA-N 1 3 290.426 3.225 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCCOc2ccccc21 ZINC000650758338 397910306 /nfs/dbraw/zinc/91/03/06/397910306.db2.gz NLFLLDCHOKHKEC-SFHVURJKSA-N 1 3 296.414 3.410 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1sc(C)nc1C ZINC000650758365 397910394 /nfs/dbraw/zinc/91/03/94/397910394.db2.gz OALYUXVPYMGPPH-LLVKDONJSA-N 1 3 289.448 3.330 20 0 CGADHO Cc1ccccc1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000675499301 543344785 /nfs/dbraw/zinc/34/47/85/543344785.db2.gz GOJHTNLFMFNCCS-UHFFFAOYSA-N 1 3 295.430 3.145 20 0 CGADHO CCN1CCN(c2cc(C)[nH+]c3ccccc32)C[C@H]1C ZINC000677152302 543437031 /nfs/dbraw/zinc/43/70/31/543437031.db2.gz BZFUKXARQARUJP-CQSZACIVSA-N 1 3 269.392 3.074 20 0 CGADHO CC(C)[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC1CC1 ZINC000678156613 543489767 /nfs/dbraw/zinc/48/97/67/543489767.db2.gz JRBVUVDGKJIRQT-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)[N@H+](Cc1ccc(OCCN(C)C)cc1)CC1CC1 ZINC000678156613 543489770 /nfs/dbraw/zinc/48/97/70/543489770.db2.gz JRBVUVDGKJIRQT-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000279830908 286025396 /nfs/dbraw/zinc/02/53/96/286025396.db2.gz YZEHXRVDYVKPBP-OWLYRPNTSA-N 1 3 290.451 3.225 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000678603540 543542702 /nfs/dbraw/zinc/54/27/02/543542702.db2.gz XZZFYWAEEVMZFL-FUHWJXTLSA-N 1 3 294.483 3.331 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678926383 543572548 /nfs/dbraw/zinc/57/25/48/543572548.db2.gz AZJLNGULCMCOLX-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000678926383 543572549 /nfs/dbraw/zinc/57/25/49/543572549.db2.gz AZJLNGULCMCOLX-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CC(C)Cc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000088296650 287086158 /nfs/dbraw/zinc/08/61/58/287086158.db2.gz ZAFPOATWGBATKZ-SFHVURJKSA-N 1 3 274.452 3.317 20 0 CGADHO CC(C)Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000088296650 287086159 /nfs/dbraw/zinc/08/61/59/287086159.db2.gz ZAFPOATWGBATKZ-SFHVURJKSA-N 1 3 274.452 3.317 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148263 165200571 /nfs/dbraw/zinc/20/05/71/165200571.db2.gz ABUIOGBQXFLYJU-YSVLISHTSA-N 1 3 276.424 3.252 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000089148249 165200818 /nfs/dbraw/zinc/20/08/18/165200818.db2.gz AIYRIRSJAXVKRZ-IKJBURDNSA-N 1 3 272.436 3.430 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000093212870 165323490 /nfs/dbraw/zinc/32/34/90/165323490.db2.gz OUSZNDWANSQECB-LZWOXQAQSA-N 1 3 262.397 3.006 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000094070420 165345623 /nfs/dbraw/zinc/34/56/23/165345623.db2.gz RGYQEGAIZWYWAA-CYBMUJFWSA-N 1 3 296.842 3.231 20 0 CGADHO CC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119584305 287171211 /nfs/dbraw/zinc/17/12/11/287171211.db2.gz PRKGSEUSSDITCS-RRFJBIMHSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(OC(F)F)c1 ZINC000020129193 171017349 /nfs/dbraw/zinc/01/73/49/171017349.db2.gz ZYGVNIISBNHKKV-ZDUSSCGKSA-N 1 3 298.377 3.425 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000285399501 196272553 /nfs/dbraw/zinc/27/25/53/196272553.db2.gz IFCQZHDDQTVAQE-UHFFFAOYSA-N 1 3 272.392 3.395 20 0 CGADHO c1ccc2cc(CNC[C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000037408306 173185415 /nfs/dbraw/zinc/18/54/15/173185415.db2.gz STGPKORKWVJVCX-INIZCTEOSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2cc(CNC[C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000037408306 173185418 /nfs/dbraw/zinc/18/54/18/173185418.db2.gz STGPKORKWVJVCX-INIZCTEOSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2cc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)ccc2c1 ZINC000037408306 173185419 /nfs/dbraw/zinc/18/54/19/173185419.db2.gz STGPKORKWVJVCX-INIZCTEOSA-N 1 3 280.415 3.414 20 0 CGADHO CCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000037538947 173258635 /nfs/dbraw/zinc/25/86/35/173258635.db2.gz WTMIGKYJIHGJJZ-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO CCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC000037538947 173258637 /nfs/dbraw/zinc/25/86/37/173258637.db2.gz WTMIGKYJIHGJJZ-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO CCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC000037538947 173258638 /nfs/dbraw/zinc/25/86/38/173258638.db2.gz WTMIGKYJIHGJJZ-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCNCC1)c1ccc(Cl)cc1 ZINC000038041027 174040803 /nfs/dbraw/zinc/04/08/03/174040803.db2.gz YVYQEARWEUMJDL-HNNXBMFYSA-N 1 3 266.816 3.379 20 0 CGADHO C[C@H](NC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000038040701 174041392 /nfs/dbraw/zinc/04/13/92/174041392.db2.gz CHZREWLNAXKMAA-ZDUSSCGKSA-N 1 3 254.377 3.242 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1cccc2ccccc21 ZINC000038040701 174041393 /nfs/dbraw/zinc/04/13/93/174041393.db2.gz CHZREWLNAXKMAA-ZDUSSCGKSA-N 1 3 254.377 3.242 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCOC2(C)C)CC1 ZINC000449417652 287289272 /nfs/dbraw/zinc/28/92/72/287289272.db2.gz ZQLZPSSUWKILKV-HYVNUMGLSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000449417652 287289274 /nfs/dbraw/zinc/28/92/74/287289274.db2.gz ZQLZPSSUWKILKV-HYVNUMGLSA-N 1 3 294.483 3.187 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000070938697 176013064 /nfs/dbraw/zinc/01/30/64/176013064.db2.gz RXAQQBLIZJAULI-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO N[C@H]1CCC[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000071612401 176232822 /nfs/dbraw/zinc/23/28/22/176232822.db2.gz IDCTZAHKDCJNSF-ROUUACIJSA-N 1 3 272.436 3.211 20 0 CGADHO C(CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814416 416535777 /nfs/dbraw/zinc/53/57/77/416535777.db2.gz SEIWGASVYRLTGF-QZTJIDSGSA-N 1 3 294.483 3.047 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC000314379087 416538383 /nfs/dbraw/zinc/53/83/83/416538383.db2.gz QVFGXMAGOWCQMB-OALUTQOASA-N 1 3 280.415 3.401 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC000314379087 416538389 /nfs/dbraw/zinc/53/83/89/416538389.db2.gz QVFGXMAGOWCQMB-OALUTQOASA-N 1 3 280.415 3.401 20 0 CGADHO Cc1ccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000404452697 416554923 /nfs/dbraw/zinc/55/49/23/416554923.db2.gz ZORZNHMVFFPARH-FZMZJTMJSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CCN)s1 ZINC000404452697 416554926 /nfs/dbraw/zinc/55/49/26/416554926.db2.gz ZORZNHMVFFPARH-FZMZJTMJSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)s1 ZINC000404452697 416554930 /nfs/dbraw/zinc/55/49/30/416554930.db2.gz ZORZNHMVFFPARH-FZMZJTMJSA-N 1 3 252.427 3.006 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1 ZINC000681985502 543814047 /nfs/dbraw/zinc/81/40/47/543814047.db2.gz CXQNQLJTOZBYAF-UHFFFAOYSA-N 1 3 290.451 3.153 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000684374498 543988499 /nfs/dbraw/zinc/98/84/99/543988499.db2.gz QSSAVXCOZGNIAC-ROUUACIJSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470765 544077723 /nfs/dbraw/zinc/07/77/23/544077723.db2.gz QNAXHBFDRQXUFX-PBHICJAKSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470765 544077725 /nfs/dbraw/zinc/07/77/25/544077725.db2.gz QNAXHBFDRQXUFX-PBHICJAKSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470765 544077728 /nfs/dbraw/zinc/07/77/28/544077728.db2.gz QNAXHBFDRQXUFX-PBHICJAKSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470765 544077730 /nfs/dbraw/zinc/07/77/30/544077730.db2.gz QNAXHBFDRQXUFX-PBHICJAKSA-N 1 3 284.403 3.349 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H]2CCCc3cccnc32)CC1 ZINC000684955613 544044454 /nfs/dbraw/zinc/04/44/54/544044454.db2.gz PHBRTVMIQNEYCF-QGZVFWFLSA-N 1 3 287.451 3.171 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741028 418935846 /nfs/dbraw/zinc/93/58/46/418935846.db2.gz WKBGUCPJBGCSOC-WMLDXEAASA-N 1 3 290.426 3.355 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000652238178 418939336 /nfs/dbraw/zinc/93/93/36/418939336.db2.gz WFNLJRTZLASCIU-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000652238178 418939339 /nfs/dbraw/zinc/93/93/39/418939339.db2.gz WFNLJRTZLASCIU-RDJZCZTQSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659949479 419043862 /nfs/dbraw/zinc/04/38/62/419043862.db2.gz XLYFIYRMIXWTND-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000659949479 419043864 /nfs/dbraw/zinc/04/38/64/419043864.db2.gz XLYFIYRMIXWTND-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000659949479 419043865 /nfs/dbraw/zinc/04/38/65/419043865.db2.gz XLYFIYRMIXWTND-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665236299 419086980 /nfs/dbraw/zinc/08/69/80/419086980.db2.gz JZLAWSMYWSYPRN-AAEUAGOBSA-N 1 3 263.429 3.324 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2noc3ccccc32)c2ccccc21 ZINC000665232963 419087718 /nfs/dbraw/zinc/08/77/18/419087718.db2.gz YMDLGDDQAJJJIF-WBVHZDCISA-N 1 3 293.370 3.105 20 0 CGADHO CCC[C@H]([NH2+]CC1(N)CCCC1)c1ccsc1 ZINC000665248179 419089823 /nfs/dbraw/zinc/08/98/23/419089823.db2.gz QZGBXDKHRXTGBE-ZDUSSCGKSA-N 1 3 252.427 3.450 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000665246969 419090027 /nfs/dbraw/zinc/09/00/27/419090027.db2.gz SCMDPKFHNCQWKF-QRVBRYPASA-N 1 3 286.463 3.356 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)NCC1([NH3+])CCCC1 ZINC000665246628 419091124 /nfs/dbraw/zinc/09/11/24/419091124.db2.gz JXMYRKVOBSCMPX-LBPRGKRZSA-N 1 3 282.378 3.147 20 0 CGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CC(C)(C)CC(C)(C)C1 ZINC000665245641 419091338 /nfs/dbraw/zinc/09/13/38/419091338.db2.gz OCQMXISCQZJQPI-IMJJTQAJSA-N 1 3 296.499 3.181 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCCC1)CCC2 ZINC000665248579 419092245 /nfs/dbraw/zinc/09/22/45/419092245.db2.gz ZLOLWCDBFBXKIU-MRXNPFEDSA-N 1 3 258.409 3.234 20 0 CGADHO CC[C@H](NC1CCC2(CC2(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000665274359 419097626 /nfs/dbraw/zinc/09/76/26/419097626.db2.gz OUSVXXAJKDLIBG-QPPOZKHWSA-N 1 3 272.383 3.075 20 0 CGADHO CC[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)[C@@H]1CCCN1 ZINC000665274359 419097630 /nfs/dbraw/zinc/09/76/30/419097630.db2.gz OUSVXXAJKDLIBG-QPPOZKHWSA-N 1 3 272.383 3.075 20 0 CGADHO C[C@H](NC1CCC2(CC2(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000665274173 419098299 /nfs/dbraw/zinc/09/82/99/419098299.db2.gz LHJGHOXKGYVBER-AHPWVWPOSA-N 1 3 272.383 3.075 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275614 419099541 /nfs/dbraw/zinc/09/95/41/419099541.db2.gz NWTPDVFASDAMOT-BRSBDYLESA-N 1 3 294.483 3.092 20 0 CGADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000655805320 419100853 /nfs/dbraw/zinc/10/08/53/419100853.db2.gz LTURIIHSSMWOKZ-UPJWGTAASA-N 1 3 293.480 3.013 20 0 CGADHO Clc1cccc([C@H]2CC[C@@H]([NH2+]CC34CC(C3)CN4)C2)c1 ZINC000665279417 419101770 /nfs/dbraw/zinc/10/17/70/419101770.db2.gz BXWOUNJCIQMKAK-ORTQGIPQSA-N 1 3 290.838 3.318 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000665280490 419102051 /nfs/dbraw/zinc/10/20/51/419102051.db2.gz DPHNTITWJBJMKI-CGTJXYLNSA-N 1 3 290.451 3.117 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000665281939 419103217 /nfs/dbraw/zinc/10/32/17/419103217.db2.gz MNVSZXDANZPWLY-BRWVUGGUSA-N 1 3 290.451 3.196 20 0 CGADHO COCC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000655818877 419108492 /nfs/dbraw/zinc/10/84/92/419108492.db2.gz VYDFEHXYLFQQOU-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO COCC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000655818877 419108496 /nfs/dbraw/zinc/10/84/96/419108496.db2.gz VYDFEHXYLFQQOU-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)CC(F)(F)F ZINC000665301410 419112662 /nfs/dbraw/zinc/11/26/62/419112662.db2.gz XDPSKJMUXMWVJP-QWRGUYRKSA-N 1 3 266.351 3.072 20 0 CGADHO CCC(CC)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000665300564 419112722 /nfs/dbraw/zinc/11/27/22/419112722.db2.gz FCLPEVFHGRQAHM-HOTGVXAUSA-N 1 3 278.415 3.353 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](OC)C2CCCCC2)C1 ZINC000659982734 419051344 /nfs/dbraw/zinc/05/13/44/419051344.db2.gz VTNAIJYTTKYEKT-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](OC)C2CCCCC2)C1 ZINC000659982734 419051347 /nfs/dbraw/zinc/05/13/47/419051347.db2.gz VTNAIJYTTKYEKT-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982734 419051351 /nfs/dbraw/zinc/05/13/51/419051351.db2.gz VTNAIJYTTKYEKT-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982734 419051355 /nfs/dbraw/zinc/05/13/55/419051355.db2.gz VTNAIJYTTKYEKT-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989737 419057297 /nfs/dbraw/zinc/05/72/97/419057297.db2.gz SDAFMHQWVMZTJC-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659989737 419057299 /nfs/dbraw/zinc/05/72/99/419057299.db2.gz SDAFMHQWVMZTJC-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659989737 419057300 /nfs/dbraw/zinc/05/73/00/419057300.db2.gz SDAFMHQWVMZTJC-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000659989737 419057302 /nfs/dbraw/zinc/05/73/02/419057302.db2.gz SDAFMHQWVMZTJC-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC[C@H]2C)CS1 ZINC000655682957 419063531 /nfs/dbraw/zinc/06/35/31/419063531.db2.gz OCNBQZNOINFZTP-KFWWJZLASA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2CCCC[C@H]2C)CS1 ZINC000655682957 419063537 /nfs/dbraw/zinc/06/35/37/419063537.db2.gz OCNBQZNOINFZTP-KFWWJZLASA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1CC[C@H](NCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000655682957 419063543 /nfs/dbraw/zinc/06/35/43/419063543.db2.gz OCNBQZNOINFZTP-KFWWJZLASA-N 1 3 270.486 3.125 20 0 CGADHO Cc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941348 419129408 /nfs/dbraw/zinc/12/94/08/419129408.db2.gz RBOPIOJMMXWADS-GJZGRUSLSA-N 1 3 292.854 3.470 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)CCCc1c(F)cccc1F ZINC000655938627 419129680 /nfs/dbraw/zinc/12/96/80/419129680.db2.gz ZFCVPKLUKRSOHR-INIZCTEOSA-N 1 3 284.394 3.203 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000656197763 419148436 /nfs/dbraw/zinc/14/84/36/419148436.db2.gz JDBVVRMYHXGIIE-CABCVRRESA-N 1 3 262.372 3.064 20 0 CGADHO CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000656200673 419149905 /nfs/dbraw/zinc/14/99/05/419149905.db2.gz UFBJCGGOXNOTPF-UAGQMJEPSA-N 1 3 290.451 3.123 20 0 CGADHO Cc1cccc(CCCN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660664813 419179513 /nfs/dbraw/zinc/17/95/13/419179513.db2.gz SWITYKJWZIGBMZ-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCCN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660664813 419179516 /nfs/dbraw/zinc/17/95/16/419179516.db2.gz SWITYKJWZIGBMZ-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc21 ZINC000657307386 419247191 /nfs/dbraw/zinc/24/71/91/419247191.db2.gz OMMBROZYWXVCMX-CQSZACIVSA-N 1 3 283.419 3.050 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cscc2Cl)C1 ZINC000657182799 419230206 /nfs/dbraw/zinc/23/02/06/419230206.db2.gz UVCKTOUXXWXJET-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cscc2Cl)C1 ZINC000657182799 419230209 /nfs/dbraw/zinc/23/02/09/419230209.db2.gz UVCKTOUXXWXJET-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[C@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612597 419313929 /nfs/dbraw/zinc/31/39/29/419313929.db2.gz AUDQHUNDLHAIMX-MAUKXSAKSA-N 1 3 287.451 3.072 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536858648 288507591 /nfs/dbraw/zinc/50/75/91/288507591.db2.gz RFUZFOIFFXTOJA-NXOAAHMSSA-N 1 3 282.472 3.044 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662198920 419359655 /nfs/dbraw/zinc/35/96/55/419359655.db2.gz XNPKSPJLCQPFMZ-IAGOWNOFSA-N 1 3 272.436 3.133 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000662198920 419359659 /nfs/dbraw/zinc/35/96/59/419359659.db2.gz XNPKSPJLCQPFMZ-IAGOWNOFSA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198920 419359664 /nfs/dbraw/zinc/35/96/64/419359664.db2.gz XNPKSPJLCQPFMZ-IAGOWNOFSA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@H]1CCc2ccccc21 ZINC000662198920 419359667 /nfs/dbraw/zinc/35/96/67/419359667.db2.gz XNPKSPJLCQPFMZ-IAGOWNOFSA-N 1 3 272.436 3.133 20 0 CGADHO C[C@@H]1CCCN(Cc2cc(F)ccc2F)[C@@H]1CCC[NH3+] ZINC000662313238 419389094 /nfs/dbraw/zinc/38/90/94/419389094.db2.gz HMXRXYBKKHKJPQ-MLGOLLRUSA-N 1 3 282.378 3.304 20 0 CGADHO C[C@@H](C1CC1)[N@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000662252741 419372076 /nfs/dbraw/zinc/37/20/76/419372076.db2.gz SPXDPJRMWVBLAN-ZDUSSCGKSA-N 1 3 270.420 3.095 20 0 CGADHO C[C@@H](C1CC1)[N@@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000662252741 419372079 /nfs/dbraw/zinc/37/20/79/419372079.db2.gz SPXDPJRMWVBLAN-ZDUSSCGKSA-N 1 3 270.420 3.095 20 0 CGADHO c1ccc([C@@H]2CC[C@@H](CN3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000662264062 419376007 /nfs/dbraw/zinc/37/60/07/419376007.db2.gz APHZOXYITAKKNB-BHIYHBOVSA-N 1 3 284.447 3.256 20 0 CGADHO CCN(C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662263159 419376388 /nfs/dbraw/zinc/37/63/88/419376388.db2.gz IBFUQVWBTRCKAX-UONOGXRCSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCCNCC1 ZINC000662263159 419376393 /nfs/dbraw/zinc/37/63/93/419376393.db2.gz IBFUQVWBTRCKAX-UONOGXRCSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCCNCC1 ZINC000662263159 419376396 /nfs/dbraw/zinc/37/63/96/419376396.db2.gz IBFUQVWBTRCKAX-UONOGXRCSA-N 1 3 274.399 3.276 20 0 CGADHO CC1(C)CCCC[C@H]1C[NH2+][C@@H]1CCNCC1(C)C ZINC000662276578 419381785 /nfs/dbraw/zinc/38/17/85/419381785.db2.gz KPDKUZLWROMJAM-UONOGXRCSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657932989 419447802 /nfs/dbraw/zinc/44/78/02/419447802.db2.gz YFAXUAOUIHQMLZ-CVEARBPZSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCCSCC1)N1CCCCC1 ZINC000657973031 419470272 /nfs/dbraw/zinc/47/02/72/419470272.db2.gz NPPVFPYHKXAUBJ-LSDHHAIUSA-N 1 3 270.486 3.126 20 0 CGADHO C([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCCCC1 ZINC000663347663 419565994 /nfs/dbraw/zinc/56/59/94/419565994.db2.gz ROKCCZMJECXFNZ-QGZVFWFLSA-N 1 3 264.457 3.278 20 0 CGADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCC1 ZINC000658165344 419632129 /nfs/dbraw/zinc/63/21/29/419632129.db2.gz IRGKBYYYQJGLGT-HNNXBMFYSA-N 1 3 287.451 3.072 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000663499027 419636141 /nfs/dbraw/zinc/63/61/41/419636141.db2.gz VKHCSKXXYJAMLX-KNCVXQGMSA-N 1 3 284.447 3.445 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1ccc(Cl)c2cccnc12 ZINC000663497518 419637793 /nfs/dbraw/zinc/63/77/93/419637793.db2.gz BGLWNLLMRGSQPP-OAHLLOKOSA-N 1 3 291.826 3.351 20 0 CGADHO C[C@H](CNc1nccc2[nH]ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000663389956 419586596 /nfs/dbraw/zinc/58/65/96/419586596.db2.gz ZZKYWDPIWPAMBW-CHWSQXEVSA-N 1 3 272.396 3.095 20 0 CGADHO C[C@H](CNc1nccc2[nH]ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000663389956 419586606 /nfs/dbraw/zinc/58/66/06/419586606.db2.gz ZZKYWDPIWPAMBW-CHWSQXEVSA-N 1 3 272.396 3.095 20 0 CGADHO C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663465579 419618100 /nfs/dbraw/zinc/61/81/00/419618100.db2.gz KQFUKYDNRWPECK-RYQLBKOJSA-N 1 3 276.468 3.277 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467730 419618782 /nfs/dbraw/zinc/61/87/82/419618782.db2.gz HQCKVIUNGGHQLG-NVXWUHKLSA-N 1 3 290.451 3.312 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467728 419622281 /nfs/dbraw/zinc/62/22/81/419622281.db2.gz HQCKVIUNGGHQLG-DOTOQJQBSA-N 1 3 290.451 3.312 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCC1 ZINC000663466512 419622431 /nfs/dbraw/zinc/62/24/31/419622431.db2.gz UYAAFGLDXNMZMP-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[N@H+](CC)C[C@H](C)Nc1nccc2[nH]ccc21 ZINC000663925317 419760725 /nfs/dbraw/zinc/76/07/25/419760725.db2.gz WOTHQHREQDSGMO-LBPRGKRZSA-N 1 3 260.385 3.095 20 0 CGADHO CCC[N@@H+](CC)C[C@H](C)Nc1nccc2[nH]ccc21 ZINC000663925317 419760734 /nfs/dbraw/zinc/76/07/34/419760734.db2.gz WOTHQHREQDSGMO-LBPRGKRZSA-N 1 3 260.385 3.095 20 0 CGADHO CCc1cccc(F)c1CNCC1CC[NH+](CC)CC1 ZINC000521384599 260092697 /nfs/dbraw/zinc/09/26/97/260092697.db2.gz PDUPDJCBQHSXFM-UHFFFAOYSA-N 1 3 278.415 3.210 20 0 CGADHO CC(F)(F)CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000390113760 262128871 /nfs/dbraw/zinc/12/88/71/262128871.db2.gz YRDXLLYXONZVQB-CHWSQXEVSA-N 1 3 254.324 3.156 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000271829867 263000013 /nfs/dbraw/zinc/00/00/13/263000013.db2.gz DTVYXPKJPAPSMA-QZTJIDSGSA-N 1 3 270.420 3.174 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(F)cc2F)CC1 ZINC000044517441 270036134 /nfs/dbraw/zinc/03/61/34/270036134.db2.gz SCOFPLDRMIKKSD-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535375 270036487 /nfs/dbraw/zinc/03/64/87/270036487.db2.gz CEODWPWPNURTDA-STQMWFEESA-N 1 3 266.816 3.332 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535375 270036488 /nfs/dbraw/zinc/03/64/88/270036488.db2.gz CEODWPWPNURTDA-STQMWFEESA-N 1 3 266.816 3.332 20 0 CGADHO CCCc1cccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000187119579 270067803 /nfs/dbraw/zinc/06/78/03/270067803.db2.gz LNIWJCPZISMVTO-KRWDZBQOSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1cccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000187119579 270067804 /nfs/dbraw/zinc/06/78/04/270067804.db2.gz LNIWJCPZISMVTO-KRWDZBQOSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000187119579 270067805 /nfs/dbraw/zinc/06/78/05/270067805.db2.gz LNIWJCPZISMVTO-KRWDZBQOSA-N 1 3 272.436 3.213 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CC12CC2 ZINC000527861048 270140203 /nfs/dbraw/zinc/14/02/03/270140203.db2.gz XAQPFXBUQHVTHU-QXAKKESOSA-N 1 3 298.474 3.329 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+][C@@H]2CCNC23CCC3)C2CC2)c1 ZINC000530216455 270195745 /nfs/dbraw/zinc/19/57/45/270195745.db2.gz BLJXCQUQVFCZDN-QZTJIDSGSA-N 1 3 284.447 3.190 20 0 CGADHO C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CCCCC12CCCC2 ZINC000530216480 270195848 /nfs/dbraw/zinc/19/58/48/270195848.db2.gz PJQYEJAWPRKWPR-LSDHHAIUSA-N 1 3 262.441 3.364 20 0 CGADHO C1CC2(C1)NCC[C@H]2[NH2+][C@H]1CCCCC12CCCC2 ZINC000530216480 270195849 /nfs/dbraw/zinc/19/58/49/270195849.db2.gz PJQYEJAWPRKWPR-LSDHHAIUSA-N 1 3 262.441 3.364 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC000085042275 287705991 /nfs/dbraw/zinc/70/59/91/287705991.db2.gz ZBCPGQMLTRFKHV-HLLBOEOZSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCc2c(Cl)cccc21)[C@H](C)N ZINC000423454506 274261763 /nfs/dbraw/zinc/26/17/63/274261763.db2.gz ZGIXTWGGVOELHS-RBZYPMLTSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000453239164 274334888 /nfs/dbraw/zinc/33/48/88/274334888.db2.gz SEQNTURVADNJQR-OAUYIBNBSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000453239164 274334889 /nfs/dbraw/zinc/33/48/89/274334889.db2.gz SEQNTURVADNJQR-OAUYIBNBSA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534203 275680818 /nfs/dbraw/zinc/68/08/18/275680818.db2.gz ZPEHIMZPJUHKES-PBNGXKPNSA-N 1 3 276.468 3.164 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425927133 275701684 /nfs/dbraw/zinc/70/16/84/275701684.db2.gz SXZBRFRKXQDQAO-RDJZCZTQSA-N 1 3 262.441 3.041 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000422762727 275736244 /nfs/dbraw/zinc/73/62/44/275736244.db2.gz OCFRPQHXMBNCEW-MSOLQXFVSA-N 1 3 274.452 3.460 20 0 CGADHO CCCN(CCc1cccc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000346986965 276000288 /nfs/dbraw/zinc/00/02/88/276000288.db2.gz QDMJDDRIVPKHOV-MRXNPFEDSA-N 1 3 278.415 3.080 20 0 CGADHO CCC[N@H+](CCc1cccc(F)c1)C[C@@H]1CCCNC1 ZINC000346986965 276000291 /nfs/dbraw/zinc/00/02/91/276000291.db2.gz QDMJDDRIVPKHOV-MRXNPFEDSA-N 1 3 278.415 3.080 20 0 CGADHO CCC[N@@H+](CCc1cccc(F)c1)C[C@@H]1CCCNC1 ZINC000346986965 276000293 /nfs/dbraw/zinc/00/02/93/276000293.db2.gz QDMJDDRIVPKHOV-MRXNPFEDSA-N 1 3 278.415 3.080 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000335570357 276001543 /nfs/dbraw/zinc/00/15/43/276001543.db2.gz SRQBOPNCLUUBFI-IRXDYDNUSA-N 1 3 258.409 3.213 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)CS1 ZINC000488452838 276002245 /nfs/dbraw/zinc/00/22/45/276002245.db2.gz YNKFMEKTGQMAOM-PMPSAXMXSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)CS1 ZINC000488452838 276002246 /nfs/dbraw/zinc/00/22/46/276002246.db2.gz YNKFMEKTGQMAOM-PMPSAXMXSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452838 276002248 /nfs/dbraw/zinc/00/22/48/276002248.db2.gz YNKFMEKTGQMAOM-PMPSAXMXSA-N 1 3 284.513 3.227 20 0 CGADHO CC[NH+]1CCC(N[C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000271706321 276152009 /nfs/dbraw/zinc/15/20/09/276152009.db2.gz NMSHYAARQVGOAQ-GUYCJALGSA-N 1 3 258.409 3.309 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCc3ccc(C)cc32)CC1 ZINC000149387677 276152035 /nfs/dbraw/zinc/15/20/35/276152035.db2.gz JZKGXKPGRJYYKH-KRWDZBQOSA-N 1 3 258.409 3.056 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328108 276221874 /nfs/dbraw/zinc/22/18/74/276221874.db2.gz IODIIDLQTLMMKW-TZMCWYRMSA-N 1 3 264.438 3.057 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061328108 276221875 /nfs/dbraw/zinc/22/18/75/276221875.db2.gz IODIIDLQTLMMKW-TZMCWYRMSA-N 1 3 264.438 3.057 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328108 276221877 /nfs/dbraw/zinc/22/18/77/276221877.db2.gz IODIIDLQTLMMKW-TZMCWYRMSA-N 1 3 264.438 3.057 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450472617 276308185 /nfs/dbraw/zinc/30/81/85/276308185.db2.gz MASYWHFPDQUCPB-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450472617 276308186 /nfs/dbraw/zinc/30/81/86/276308186.db2.gz MASYWHFPDQUCPB-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472617 276308187 /nfs/dbraw/zinc/30/81/87/276308187.db2.gz MASYWHFPDQUCPB-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450472617 276308188 /nfs/dbraw/zinc/30/81/88/276308188.db2.gz MASYWHFPDQUCPB-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CN1CCCC[C@H]1CC[NH+]1CCC2(CCC2)CC1 ZINC000367609374 277046310 /nfs/dbraw/zinc/04/63/10/277046310.db2.gz WMAHTSJSZTURKM-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO COC1([C@@H](C)[NH2+]CCCN2CCC(C)CC2)CCCC1 ZINC000421819513 277189925 /nfs/dbraw/zinc/18/99/25/277189925.db2.gz HMTFFEUCIPPIIV-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO COC1([C@@H](C)NCCC[NH+]2CCC(C)CC2)CCCC1 ZINC000421819513 277189927 /nfs/dbraw/zinc/18/99/27/277189927.db2.gz HMTFFEUCIPPIIV-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)CC[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423325353 277365209 /nfs/dbraw/zinc/36/52/09/277365209.db2.gz BTBYZDQIFKDRHC-JKSUJKDBSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000246470791 277392277 /nfs/dbraw/zinc/39/22/77/277392277.db2.gz QLBIHZHYBVGSIX-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423209384 277990313 /nfs/dbraw/zinc/99/03/13/277990313.db2.gz FDDLQMKOISTJKZ-JCKWVBRZSA-N 1 3 288.435 3.050 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](CNC)C2)C1 ZINC000394613770 288002869 /nfs/dbraw/zinc/00/28/69/288002869.db2.gz JXLZDLFGQOJKPY-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](CNC)C2)C1 ZINC000394613770 288002870 /nfs/dbraw/zinc/00/28/70/288002870.db2.gz JXLZDLFGQOJKPY-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@H](CN2CCC[C@H](C[NH2+]C)C2)C1 ZINC000394613770 288002873 /nfs/dbraw/zinc/00/28/73/288002873.db2.gz JXLZDLFGQOJKPY-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422880510 278037660 /nfs/dbraw/zinc/03/76/60/278037660.db2.gz OCJWBCAEPUZODB-YOEHRIQHSA-N 1 3 260.425 3.288 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1ncc(Cl)s1 ZINC000395711729 288010204 /nfs/dbraw/zinc/01/02/04/288010204.db2.gz CVQCJPPOHNCHIY-UHFFFAOYSA-N 1 3 275.849 3.007 20 0 CGADHO C[C@H](CCN[C@H]1COC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000396853016 288017139 /nfs/dbraw/zinc/01/71/39/288017139.db2.gz NCZOOKVBLLKSCR-NVXWUHKLSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@H](CCN[C@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853016 288017143 /nfs/dbraw/zinc/01/71/43/288017143.db2.gz NCZOOKVBLLKSCR-NVXWUHKLSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000449444537 278254215 /nfs/dbraw/zinc/25/42/15/278254215.db2.gz BOADMEQUWQZFGS-ZDUSSCGKSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000449438316 278336267 /nfs/dbraw/zinc/33/62/67/278336267.db2.gz BNPXGKITCCZSGD-VBQJREDUSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414335485 278341156 /nfs/dbraw/zinc/34/11/56/278341156.db2.gz OEZHBOHMIMLKMC-UHFFFAOYSA-N 1 3 289.467 3.212 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCC(C)(C)c2cccnc2)CC1 ZINC000414335485 278341158 /nfs/dbraw/zinc/34/11/58/278341158.db2.gz OEZHBOHMIMLKMC-UHFFFAOYSA-N 1 3 289.467 3.212 20 0 CGADHO C[C@@H](N[C@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284913 278379555 /nfs/dbraw/zinc/37/95/55/278379555.db2.gz XMVWIPJWPDEAOE-SJKOYZFVSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@@H]1c2cc(F)cc(F)c2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420301625 279130238 /nfs/dbraw/zinc/13/02/38/279130238.db2.gz LSEWHNBGSMWUMQ-OLZOCXBDSA-N 1 3 294.389 3.274 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccs1 ZINC000423399087 279196286 /nfs/dbraw/zinc/19/62/86/279196286.db2.gz PJOMBMGGVXDFHH-IHRRRGAJSA-N 1 3 266.454 3.423 20 0 CGADHO CC(C)C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccs1 ZINC000423399087 279196289 /nfs/dbraw/zinc/19/62/89/279196289.db2.gz PJOMBMGGVXDFHH-IHRRRGAJSA-N 1 3 266.454 3.423 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCCc2cc(Br)ccc21 ZINC000423312990 279290135 /nfs/dbraw/zinc/29/01/35/279290135.db2.gz VZTPKBYLINEIGX-YGRLFVJLSA-N 1 3 297.240 3.011 20 0 CGADHO C[C@H](CN1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000414649848 279298820 /nfs/dbraw/zinc/29/88/20/279298820.db2.gz CNZZAXAOOYQTHB-LLVKDONJSA-N 1 3 286.341 3.232 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2c1cccc2Br ZINC000422960748 279370546 /nfs/dbraw/zinc/37/05/46/279370546.db2.gz XPTBYTWHZAOAKD-RBZYPMLTSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000449444854 279457099 /nfs/dbraw/zinc/45/70/99/279457099.db2.gz DYDAXLFWEGVKJR-ZQIUZPCESA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000423179952 280035480 /nfs/dbraw/zinc/03/54/80/280035480.db2.gz NAMRFMJILQMSGH-BBRMVZONSA-N 1 3 258.409 3.171 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423329781 280545456 /nfs/dbraw/zinc/54/54/56/280545456.db2.gz FHZKNICCQZAMGU-LVQVYYBASA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)C1CC(F)(F)C1)N1CCCCC1 ZINC000529541424 288261838 /nfs/dbraw/zinc/26/18/38/288261838.db2.gz LBNXJOWUFDUORZ-STQMWFEESA-N 1 3 274.399 3.274 20 0 CGADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCNC ZINC000435872247 281023662 /nfs/dbraw/zinc/02/36/62/281023662.db2.gz XQEDSKKATMRWLK-IAGOWNOFSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCNC ZINC000435872247 281023664 /nfs/dbraw/zinc/02/36/64/281023664.db2.gz XQEDSKKATMRWLK-IAGOWNOFSA-N 1 3 260.425 3.254 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]CC[C@H]1C)CCC2 ZINC000423134138 281097587 /nfs/dbraw/zinc/09/75/87/281097587.db2.gz WTFSYHOGKFIHCK-JLSDUUJJSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423030289 281122150 /nfs/dbraw/zinc/12/21/50/281122150.db2.gz VZWZIYLICPDOGM-YXJHDRRASA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)CCC2 ZINC000423030289 281122152 /nfs/dbraw/zinc/12/21/52/281122152.db2.gz VZWZIYLICPDOGM-YXJHDRRASA-N 1 3 272.436 3.350 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530176167 288294366 /nfs/dbraw/zinc/29/43/66/288294366.db2.gz CENZLJARUHPWLR-YMAMQOFZSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2c1 ZINC000338739668 281170388 /nfs/dbraw/zinc/17/03/88/281170388.db2.gz CHPBPKCMRRTNBG-IBGZPJMESA-N 1 3 295.430 3.465 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000338739668 281170389 /nfs/dbraw/zinc/17/03/89/281170389.db2.gz CHPBPKCMRRTNBG-IBGZPJMESA-N 1 3 295.430 3.465 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCc3ccccc3CC2)C1 ZINC000530213711 288300882 /nfs/dbraw/zinc/30/08/82/288300882.db2.gz VOFBMIMTAGWSRR-QZTJIDSGSA-N 1 3 272.436 3.041 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152387319 281270247 /nfs/dbraw/zinc/27/02/47/281270247.db2.gz ZCGSSSKDVZQKAC-KSSFIOAISA-N 1 3 270.420 3.056 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152387319 281270248 /nfs/dbraw/zinc/27/02/48/281270248.db2.gz ZCGSSSKDVZQKAC-KSSFIOAISA-N 1 3 270.420 3.056 20 0 CGADHO Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](N)c3ccccc31)C2 ZINC000423139942 281299655 /nfs/dbraw/zinc/29/96/55/281299655.db2.gz LPHLAMDBNGIQHY-FHLIZLRMSA-N 1 3 294.398 3.033 20 0 CGADHO CCN(CC)CCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000549139239 289035816 /nfs/dbraw/zinc/03/58/16/289035816.db2.gz URYZRUGNXVNYKM-MRXNPFEDSA-N 1 3 262.441 3.454 20 0 CGADHO CCN(CC)CCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000549139239 289035817 /nfs/dbraw/zinc/03/58/17/289035817.db2.gz URYZRUGNXVNYKM-MRXNPFEDSA-N 1 3 262.441 3.454 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)C(C)(C)O ZINC000550894341 289088978 /nfs/dbraw/zinc/08/89/78/289088978.db2.gz DQMLGCLUNWVEPC-UAGQMJEPSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)(C)O ZINC000550894341 289088981 /nfs/dbraw/zinc/08/89/81/289088981.db2.gz DQMLGCLUNWVEPC-UAGQMJEPSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc2n[nH]cc2c1 ZINC000552097629 289162769 /nfs/dbraw/zinc/16/27/69/289162769.db2.gz JHJAIUCGUGMABI-CYBMUJFWSA-N 1 3 298.434 3.088 20 0 CGADHO CN(C)CCOCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000349190770 289169915 /nfs/dbraw/zinc/16/99/15/289169915.db2.gz LBAZCIAJOWIRMD-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCC1CCCC1 ZINC000371294448 289334293 /nfs/dbraw/zinc/33/42/93/289334293.db2.gz KVLQHKUUIHLILU-SQNIBIBYSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)CCN1 ZINC000423389447 297286423 /nfs/dbraw/zinc/28/64/23/297286423.db2.gz VAKZFNYCTOQSLS-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423020303 302302288 /nfs/dbraw/zinc/30/22/88/302302288.db2.gz ZVKZPEDXRMYORQ-RBSFLKMASA-N 1 3 278.465 3.109 20 0 CGADHO Cc1nc(C)c(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000422891972 302573047 /nfs/dbraw/zinc/57/30/47/302573047.db2.gz XDNSPPPWSCMKAD-SWLSCSKDSA-N 1 3 295.496 3.203 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000564824563 322045249 /nfs/dbraw/zinc/04/52/49/322045249.db2.gz JQGRUSCIVCQFNO-MAUKXSAKSA-N 1 3 290.451 3.089 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000564824564 322045536 /nfs/dbraw/zinc/04/55/36/322045536.db2.gz JQGRUSCIVCQFNO-QAPCUYQASA-N 1 3 290.451 3.089 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H](N)C2)c1 ZINC000565225782 322067717 /nfs/dbraw/zinc/06/77/17/322067717.db2.gz GXFOALBYMJSQAK-JKSUJKDBSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000565225782 322067720 /nfs/dbraw/zinc/06/77/20/322067720.db2.gz GXFOALBYMJSQAK-JKSUJKDBSA-N 1 3 260.425 3.132 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000565242274 322069737 /nfs/dbraw/zinc/06/97/37/322069737.db2.gz MHDNWHGDOGSFDI-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000566230161 322110563 /nfs/dbraw/zinc/11/05/63/322110563.db2.gz MOXZCSKWKIDLKJ-UHFFFAOYSA-N 1 3 294.320 3.454 20 0 CGADHO CC(C)C[C@H](CN1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000566229878 322110616 /nfs/dbraw/zinc/11/06/16/322110616.db2.gz QZCLAGILAWSCIL-OTWHNJEPSA-N 1 3 286.463 3.358 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C[C@@H](C)O1 ZINC000566355613 322117441 /nfs/dbraw/zinc/11/74/41/322117441.db2.gz HPDCRJDFKNASRR-WCXIOVBPSA-N 1 3 296.499 3.290 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000566482539 322125723 /nfs/dbraw/zinc/12/57/23/322125723.db2.gz OIJDOQRXKZJSAV-RVMXOQNASA-N 1 3 278.362 3.215 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000566483488 322125931 /nfs/dbraw/zinc/12/59/31/322125931.db2.gz URYFMMURBRMBIV-KBMXLJTQSA-N 1 3 276.424 3.048 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2ccncc2Cl)CC1 ZINC000566790983 322137913 /nfs/dbraw/zinc/13/79/13/322137913.db2.gz ZWTPVKRFQMDEBC-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO COc1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)CCC2 ZINC000566915737 322142903 /nfs/dbraw/zinc/14/29/03/322142903.db2.gz PSCAAGNYCVEQAP-LJQANCHMSA-N 1 3 296.414 3.321 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c(C)c1 ZINC000567026493 322147384 /nfs/dbraw/zinc/14/73/84/322147384.db2.gz FMURCHYCFBQVKR-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c(C)c1 ZINC000567026493 322147387 /nfs/dbraw/zinc/14/73/87/322147387.db2.gz FMURCHYCFBQVKR-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@]1(F)CCCN(CCCC[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000567123983 322151391 /nfs/dbraw/zinc/15/13/91/322151391.db2.gz XDCAKPFKNCANJJ-HOTGVXAUSA-N 1 3 288.426 3.415 20 0 CGADHO C[C@]1(F)CCCN(CCCC[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000567123983 322151393 /nfs/dbraw/zinc/15/13/93/322151393.db2.gz XDCAKPFKNCANJJ-HOTGVXAUSA-N 1 3 288.426 3.415 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000567236003 322155447 /nfs/dbraw/zinc/15/54/47/322155447.db2.gz AODPOLXMIQPPAI-KPZWWZAWSA-N 1 3 284.378 3.308 20 0 CGADHO CC(C)C[C@@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000567865137 322180600 /nfs/dbraw/zinc/18/06/00/322180600.db2.gz HGEIRAZQUKKIEW-AEFFLSMTSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000567865137 322180601 /nfs/dbraw/zinc/18/06/01/322180601.db2.gz HGEIRAZQUKKIEW-AEFFLSMTSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000567865137 322180602 /nfs/dbraw/zinc/18/06/02/322180602.db2.gz HGEIRAZQUKKIEW-AEFFLSMTSA-N 1 3 274.452 3.487 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H](F)C1 ZINC000567894547 322181986 /nfs/dbraw/zinc/18/19/86/322181986.db2.gz BUHHHUKCJUPHLJ-CBBWQLFWSA-N 1 3 256.409 3.168 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CCCC12CC2)C(C)C ZINC000568275310 322202678 /nfs/dbraw/zinc/20/26/78/322202678.db2.gz OAXSGWFAMWCJRQ-HNNXBMFYSA-N 1 3 252.446 3.418 20 0 CGADHO COc1cc(C)ccc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000568726922 322219829 /nfs/dbraw/zinc/21/98/29/322219829.db2.gz ONVYARUJTQFTNF-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO COc1cc(C)ccc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000568726922 322219832 /nfs/dbraw/zinc/21/98/32/322219832.db2.gz ONVYARUJTQFTNF-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1C(F)(F)F ZINC000569103690 322234607 /nfs/dbraw/zinc/23/46/07/322234607.db2.gz QIWMEGCYGCGCTQ-MNOVXSKESA-N 1 3 274.330 3.229 20 0 CGADHO C[C@H]1C[C@@H](CN2CCc3sc(Cl)cc3C2)CC[NH2+]1 ZINC000570163018 322266542 /nfs/dbraw/zinc/26/65/42/322266542.db2.gz YGZZCJTYYCYGSS-QWRGUYRKSA-N 1 3 284.856 3.148 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000571327767 322295920 /nfs/dbraw/zinc/29/59/20/322295920.db2.gz GJFKLKBZGGTULN-HOTGVXAUSA-N 1 3 252.446 3.441 20 0 CGADHO CCC[NH+]1CCC(NCC(C)(C)c2ncccc2C)CC1 ZINC000572291792 322329948 /nfs/dbraw/zinc/32/99/48/322329948.db2.gz CQGRFAGYDOYSAE-UHFFFAOYSA-N 1 3 289.467 3.132 20 0 CGADHO Cc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000572364051 322333427 /nfs/dbraw/zinc/33/34/27/322333427.db2.gz RDWATBVEQCFYIV-INIZCTEOSA-N 1 3 292.854 3.470 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000582578310 329110182 /nfs/dbraw/zinc/11/01/82/329110182.db2.gz VIYHBLKFMYHKQN-HZPDHXFCSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000582578310 329110183 /nfs/dbraw/zinc/11/01/83/329110183.db2.gz VIYHBLKFMYHKQN-HZPDHXFCSA-N 1 3 296.817 3.238 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]CCCN1CCC(C)CC1 ZINC000035451711 329496595 /nfs/dbraw/zinc/49/65/95/329496595.db2.gz WWYABHOSJZUAFX-INIZCTEOSA-N 1 3 278.440 3.312 20 0 CGADHO CC(C)N1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000191639466 330347312 /nfs/dbraw/zinc/34/73/12/330347312.db2.gz OBBYTSKLESAMPN-QGZVFWFLSA-N 1 3 288.435 3.232 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000580581915 335290900 /nfs/dbraw/zinc/29/09/00/335290900.db2.gz NNIWLSIDMWHTOH-ZHSDAYTOSA-N 1 3 282.790 3.195 20 0 CGADHO C[NH+](C)[C@H](CNc1ccnc2ccccc21)c1ccccc1 ZINC000577490882 335358435 /nfs/dbraw/zinc/35/84/35/335358435.db2.gz PNIPSMCFWXNDDC-LJQANCHMSA-N 1 3 291.398 3.372 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000577528087 335365344 /nfs/dbraw/zinc/36/53/44/335365344.db2.gz CVFPWKVIYKLDFO-SJORKVTESA-N 1 3 274.452 3.386 20 0 CGADHO CC(C)(C)c1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577528087 335365345 /nfs/dbraw/zinc/36/53/45/335365345.db2.gz CVFPWKVIYKLDFO-SJORKVTESA-N 1 3 274.452 3.386 20 0 CGADHO CC(C)=CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177502408 335373301 /nfs/dbraw/zinc/37/33/01/335373301.db2.gz LHZRGFSMVSMFJX-IAGOWNOFSA-N 1 3 294.483 3.164 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000581142720 336015182 /nfs/dbraw/zinc/01/51/82/336015182.db2.gz BTORCGIBSJJKRZ-MRXNPFEDSA-N 1 3 292.467 3.290 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000581142720 336015183 /nfs/dbraw/zinc/01/51/83/336015183.db2.gz BTORCGIBSJJKRZ-MRXNPFEDSA-N 1 3 292.467 3.290 20 0 CGADHO CC1CCN(CCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000581352553 336058467 /nfs/dbraw/zinc/05/84/67/336058467.db2.gz IXTMDUFVMNYMBF-UHFFFAOYSA-N 1 3 286.463 3.113 20 0 CGADHO CC(C)C[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000581488469 336088301 /nfs/dbraw/zinc/08/83/01/336088301.db2.gz JKUGNAKRNQTHTF-CGTJXYLNSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000581488469 336088302 /nfs/dbraw/zinc/08/83/02/336088302.db2.gz JKUGNAKRNQTHTF-CGTJXYLNSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000581488469 336088304 /nfs/dbraw/zinc/08/83/04/336088304.db2.gz JKUGNAKRNQTHTF-CGTJXYLNSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000385188069 336141569 /nfs/dbraw/zinc/14/15/69/336141569.db2.gz ODJBWLMVTQTOKG-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO CSCC1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000385832496 336157932 /nfs/dbraw/zinc/15/79/32/336157932.db2.gz LWLQMFZJVZTNGS-XSCHDIRWSA-N 1 3 270.486 3.028 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1cc(F)c(F)cc1F ZINC000387316670 336191381 /nfs/dbraw/zinc/19/13/81/336191381.db2.gz MCVFCCSPKMNFEM-UHFFFAOYSA-N 1 3 288.357 3.314 20 0 CGADHO C[C@H](NCC1([NH3+])CCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423329930 533834888 /nfs/dbraw/zinc/83/48/88/533834888.db2.gz OZDQUMIWNNJXHS-GARJFASQSA-N 1 3 284.856 3.365 20 0 CGADHO COc1cccc2c(CNCCC[NH+]3CCCC3)cccc12 ZINC000449217977 533835897 /nfs/dbraw/zinc/83/58/97/533835897.db2.gz DITAGHBHGQTGEX-UHFFFAOYSA-N 1 3 298.430 3.424 20 0 CGADHO COc1cccc2c(C[NH2+]CCCN3CCCC3)cccc12 ZINC000449217977 533835903 /nfs/dbraw/zinc/83/59/03/533835903.db2.gz DITAGHBHGQTGEX-UHFFFAOYSA-N 1 3 298.430 3.424 20 0 CGADHO C[C@H](NC[C@@H]([NH3+])C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423328075 533879224 /nfs/dbraw/zinc/87/92/24/533879224.db2.gz RXQZWWHFIIRJHG-OHBODLIOSA-N 1 3 284.856 3.220 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc2ccccc2c1 ZINC000423328026 533896916 /nfs/dbraw/zinc/89/69/16/533896916.db2.gz RUPBVSKVWMPIQY-SJCJKPOMSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)CCN1 ZINC000423367803 533964606 /nfs/dbraw/zinc/96/46/06/533964606.db2.gz DROUPSUQMNRTGJ-ZBYUQBLASA-N 1 3 276.399 3.179 20 0 CGADHO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1cccc(Br)c1 ZINC000423362595 533993008 /nfs/dbraw/zinc/99/30/08/533993008.db2.gz NCLZXSRDPQVNIU-COPLHBTASA-N 1 3 297.240 3.098 20 0 CGADHO Cc1cc2[nH]c(C[NH2+]CC3=CCN(C)CC3)cc2c(C)c1 ZINC000359008151 534058168 /nfs/dbraw/zinc/05/81/68/534058168.db2.gz WBKOCPLDFCZMSH-UHFFFAOYSA-N 1 3 283.419 3.136 20 0 CGADHO Cc1ccc2cc([C@@H](C)NCC3=CC[NH2+]CC3)oc2c1 ZINC000423338939 534471952 /nfs/dbraw/zinc/47/19/52/534471952.db2.gz BCTJSEJAFGHNMQ-CYBMUJFWSA-N 1 3 270.376 3.312 20 0 CGADHO CCC[N@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC000157049170 521680972 /nfs/dbraw/zinc/68/09/72/521680972.db2.gz OWNMIUFHCMDUOV-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO CCC[N@@H+](Cc1cc(F)ccc1C)C1CCNCC1 ZINC000157049170 521680974 /nfs/dbraw/zinc/68/09/74/521680974.db2.gz OWNMIUFHCMDUOV-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000150285397 521976416 /nfs/dbraw/zinc/97/64/16/521976416.db2.gz RRFLSQVRFHSRFF-UHFFFAOYSA-N 1 3 268.351 3.056 20 0 CGADHO Clc1cccc([C@@H]2CCC[C@@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423434142 534647296 /nfs/dbraw/zinc/64/72/96/534647296.db2.gz PYNZBJAOKMHHCM-MNLARUNXSA-N 1 3 290.838 3.174 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514520 523847407 /nfs/dbraw/zinc/84/74/07/523847407.db2.gz QKUMEACEYVXFBI-KRWDZBQOSA-N 1 3 288.435 3.089 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514520 523847414 /nfs/dbraw/zinc/84/74/14/523847414.db2.gz QKUMEACEYVXFBI-KRWDZBQOSA-N 1 3 288.435 3.089 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000088164092 524572743 /nfs/dbraw/zinc/57/27/43/524572743.db2.gz QQUPRUGPXLXQGQ-ALOPSCKCSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000088164092 524572749 /nfs/dbraw/zinc/57/27/49/524572749.db2.gz QQUPRUGPXLXQGQ-ALOPSCKCSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425934953 534879647 /nfs/dbraw/zinc/87/96/47/534879647.db2.gz BJQLWCCLLLBLAO-NEPJUHHUSA-N 1 3 283.485 3.423 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)s1 ZINC000424367289 526779106 /nfs/dbraw/zinc/77/91/06/526779106.db2.gz LGTOJMCIYQAQGC-CHWSQXEVSA-N 1 3 266.454 3.405 20 0 CGADHO C(CN1CCCC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000366342728 527479682 /nfs/dbraw/zinc/47/96/82/527479682.db2.gz XZQFPUPWSGEQEL-UHFFFAOYSA-N 1 3 250.430 3.129 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449089881 527744792 /nfs/dbraw/zinc/74/47/92/527744792.db2.gz LPNFQSRINGDNPX-GJZGRUSLSA-N 1 3 286.419 3.295 20 0 CGADHO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000433145797 527756905 /nfs/dbraw/zinc/75/69/05/527756905.db2.gz IVWLVRLFEKUXCM-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000359274002 528114529 /nfs/dbraw/zinc/11/45/29/528114529.db2.gz AEMHLVLQXOACOS-WMLDXEAASA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1Cl ZINC000423299584 528207671 /nfs/dbraw/zinc/20/76/71/528207671.db2.gz BYGGXWMGYMHLLN-RYUDHWBXSA-N 1 3 284.831 3.373 20 0 CGADHO CCC[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414194609 528220461 /nfs/dbraw/zinc/22/04/61/528220461.db2.gz ULGSQQMIHPCESY-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO CCC[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194609 528220463 /nfs/dbraw/zinc/22/04/63/528220463.db2.gz ULGSQQMIHPCESY-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000449090877 528254946 /nfs/dbraw/zinc/25/49/46/528254946.db2.gz HWNSQMFUIFCJKP-PCKAHOCUSA-N 1 3 284.513 3.230 20 0 CGADHO CCN(CC)[C@H](CNc1cc[nH+]cc1C)c1ccsc1 ZINC000359439541 528269873 /nfs/dbraw/zinc/26/98/73/528269873.db2.gz OCBQOGCOWXVMDK-MRXNPFEDSA-N 1 3 289.448 3.368 20 0 CGADHO CC(C)c1nc([C@H](C)NC[C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423482509 528313520 /nfs/dbraw/zinc/31/35/20/528313520.db2.gz XXCCRDDGAHZEQW-AVGNSLFASA-N 1 3 281.469 3.435 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1CNC1 ZINC000423300939 528345033 /nfs/dbraw/zinc/34/50/33/528345033.db2.gz GDVVARMSTWPTAB-INIZCTEOSA-N 1 3 280.843 3.106 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)NCC1C[NH2+]C1 ZINC000423300939 528345038 /nfs/dbraw/zinc/34/50/38/528345038.db2.gz GDVVARMSTWPTAB-INIZCTEOSA-N 1 3 280.843 3.106 20 0 CGADHO CCN[C@H](C)C[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000423367768 528422402 /nfs/dbraw/zinc/42/24/02/528422402.db2.gz AOXSTDMZKHYVIG-RHSMWYFYSA-N 1 3 260.425 3.424 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423261453 528534377 /nfs/dbraw/zinc/53/43/77/528534377.db2.gz JUHDUIIVKRDMAH-MFKMUULPSA-N 1 3 285.229 3.083 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423277103 528535915 /nfs/dbraw/zinc/53/59/15/528535915.db2.gz PEGGNCKDPJLPFY-HOCLYGCPSA-N 1 3 271.408 3.118 20 0 CGADHO CCN(CCOC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411186291 528563976 /nfs/dbraw/zinc/56/39/76/528563976.db2.gz PUSPYQBMEFHGRK-UHFFFAOYSA-N 1 3 290.451 3.141 20 0 CGADHO CC(C)[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1cccnc1 ZINC000357860203 528584145 /nfs/dbraw/zinc/58/41/45/528584145.db2.gz WOTINYQQPMDQHA-QGZVFWFLSA-N 1 3 289.467 3.490 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1OC ZINC000423433328 528690628 /nfs/dbraw/zinc/69/06/28/528690628.db2.gz CCGWWVURXZYHTL-RDBSUJKOSA-N 1 3 294.439 3.260 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423408426 528726330 /nfs/dbraw/zinc/72/63/30/528726330.db2.gz XMCOECSLLXZJMQ-KEYYUXOJSA-N 1 3 276.424 3.124 20 0 CGADHO CC(C)[N@H+](C)CCCNC[C@@H](C)c1cc(F)cc(F)c1 ZINC000449078231 528817174 /nfs/dbraw/zinc/81/71/74/528817174.db2.gz XLTMSFDLHCBMLN-CYBMUJFWSA-N 1 3 284.394 3.388 20 0 CGADHO CC(C)[N@@H+](C)CCCNC[C@@H](C)c1cc(F)cc(F)c1 ZINC000449078231 528817184 /nfs/dbraw/zinc/81/71/84/528817184.db2.gz XLTMSFDLHCBMLN-CYBMUJFWSA-N 1 3 284.394 3.388 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449078231 528817185 /nfs/dbraw/zinc/81/71/85/528817185.db2.gz XLTMSFDLHCBMLN-CYBMUJFWSA-N 1 3 284.394 3.388 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000423294542 528954189 /nfs/dbraw/zinc/95/41/89/528954189.db2.gz USYTWHCHTZJNST-MRXNPFEDSA-N 1 3 296.430 3.401 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423282609 528954816 /nfs/dbraw/zinc/95/48/16/528954816.db2.gz CXBFDNGBEMVOCQ-QGZVFWFLSA-N 1 3 292.467 3.335 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](COCc1ccccc1)C(C)C ZINC000423282609 528954822 /nfs/dbraw/zinc/95/48/22/528954822.db2.gz CXBFDNGBEMVOCQ-QGZVFWFLSA-N 1 3 292.467 3.335 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+]CCCNC1CC1 ZINC000423532116 528987770 /nfs/dbraw/zinc/98/77/70/528987770.db2.gz USCDGSBZKXQPMO-SFHVURJKSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)NCC(C)(C)[NH3+] ZINC000423288624 529028320 /nfs/dbraw/zinc/02/83/20/529028320.db2.gz TZSMOQDXYYPUKM-AWEZNQCLSA-N 1 3 266.454 3.130 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@@H](C)[C@H](C)[NH3+] ZINC000423432390 529028425 /nfs/dbraw/zinc/02/84/25/529028425.db2.gz BJLQKIGWLYTHLL-YDHLFZDLSA-N 1 3 266.454 3.129 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268493 529068746 /nfs/dbraw/zinc/06/87/46/529068746.db2.gz GKVVJQVVSGYHIY-KBXCAEBGSA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423259688 529071310 /nfs/dbraw/zinc/07/13/10/529071310.db2.gz FNTXMTVTFPIGTQ-ZWNOBZJWSA-N 1 3 285.229 3.083 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H](N)C1CC1)c1cc2ccccc2o1 ZINC000423338442 529121688 /nfs/dbraw/zinc/12/16/88/529121688.db2.gz ZEVSGOUJQSOARM-PBHICJAKSA-N 1 3 272.392 3.457 20 0 CGADHO CC(C)[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423351335 529122601 /nfs/dbraw/zinc/12/26/01/529122601.db2.gz YVAKTXVBYYWJQG-IRXDYDNUSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000423351335 529122605 /nfs/dbraw/zinc/12/26/05/529122605.db2.gz YVAKTXVBYYWJQG-IRXDYDNUSA-N 1 3 260.425 3.363 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1cccc(Cl)c1 ZINC000423260558 529178457 /nfs/dbraw/zinc/17/84/57/529178457.db2.gz HMSVOBHRJAJOSW-UONOGXRCSA-N 1 3 254.805 3.364 20 0 CGADHO CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483489995 534949677 /nfs/dbraw/zinc/94/96/77/534949677.db2.gz HNASNQLTUXVPRC-QZTJIDSGSA-N 1 3 272.436 3.383 20 0 CGADHO CCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483489995 534949685 /nfs/dbraw/zinc/94/96/85/534949685.db2.gz HNASNQLTUXVPRC-QZTJIDSGSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483489995 534949691 /nfs/dbraw/zinc/94/96/91/534949691.db2.gz HNASNQLTUXVPRC-QZTJIDSGSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483489995 534949694 /nfs/dbraw/zinc/94/96/94/534949694.db2.gz HNASNQLTUXVPRC-QZTJIDSGSA-N 1 3 272.436 3.383 20 0 CGADHO COC[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000125123602 536550465 /nfs/dbraw/zinc/55/04/65/536550465.db2.gz OLIXCQWWUZPUSS-MRXNPFEDSA-N 1 3 290.451 3.187 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cncc(C)c2)CC1 ZINC000189795876 535215171 /nfs/dbraw/zinc/21/51/71/535215171.db2.gz ULUPYBHMCNEDBS-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cncc(C)c2)CC1 ZINC000189795876 535215180 /nfs/dbraw/zinc/21/51/80/535215180.db2.gz ULUPYBHMCNEDBS-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549059 536472487 /nfs/dbraw/zinc/47/24/87/536472487.db2.gz CIJRXKPCMNKBFB-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549059 536472491 /nfs/dbraw/zinc/47/24/91/536472491.db2.gz CIJRXKPCMNKBFB-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549059 536472493 /nfs/dbraw/zinc/47/24/93/536472493.db2.gz CIJRXKPCMNKBFB-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549059 536472497 /nfs/dbraw/zinc/47/24/97/536472497.db2.gz CIJRXKPCMNKBFB-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccoc2)C1 ZINC000727467342 571747590 /nfs/dbraw/zinc/74/75/90/571747590.db2.gz SQHSVULFQFQLND-HUUCEWRRSA-N 1 3 264.413 3.127 20 0 CGADHO OCCCCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175759893 617684529 /nfs/dbraw/zinc/68/45/29/617684529.db2.gz ZZHFDROQRBWKKY-GOSISDBHSA-N 1 3 296.499 3.127 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096063 617783706 /nfs/dbraw/zinc/78/37/06/617783706.db2.gz URQUSOZIEIRQRJ-SJLPKXTDSA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096063 617783711 /nfs/dbraw/zinc/78/37/11/617783711.db2.gz URQUSOZIEIRQRJ-SJLPKXTDSA-N 1 3 290.451 3.036 20 0 CGADHO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCCCC1 ZINC000235087547 618650356 /nfs/dbraw/zinc/65/03/56/618650356.db2.gz KIDYQUIFLAFHPD-ZIAGYGMSSA-N 1 3 270.486 3.159 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000892584365 618867617 /nfs/dbraw/zinc/86/76/17/618867617.db2.gz JNXWILGDGTVZHH-AWEZNQCLSA-N 1 3 294.414 3.276 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000892584365 618867619 /nfs/dbraw/zinc/86/76/19/618867619.db2.gz JNXWILGDGTVZHH-AWEZNQCLSA-N 1 3 294.414 3.276 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000892668831 618894180 /nfs/dbraw/zinc/89/41/80/618894180.db2.gz REARDEJILLLZMH-RDJZCZTQSA-N 1 3 272.436 3.038 20 0 CGADHO CC(F)(F)CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925673222 619123869 /nfs/dbraw/zinc/12/38/69/619123869.db2.gz AYSBTVLLLLUUSB-ZIAGYGMSSA-N 1 3 274.399 3.180 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCCNc3ccccc32)CC1 ZINC000925757436 619221261 /nfs/dbraw/zinc/22/12/61/619221261.db2.gz HAIGRAPBSULKAZ-INIZCTEOSA-N 1 3 273.424 3.137 20 0 CGADHO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925781741 619243554 /nfs/dbraw/zinc/24/35/54/619243554.db2.gz JOZUIKLMAYFTRM-HIFRSBDPSA-N 1 3 282.378 3.199 20 0 CGADHO C[C@H](NCCCCCC1CC[NH2+]CC1)c1nccs1 ZINC000925809081 619258149 /nfs/dbraw/zinc/25/81/49/619258149.db2.gz RRIYQIFDSRKVBM-ZDUSSCGKSA-N 1 3 281.469 3.354 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CCS1 ZINC000925861383 619298905 /nfs/dbraw/zinc/29/89/05/619298905.db2.gz OZYCXJWAYKNFRN-FIXIBIHLSA-N 1 3 262.422 3.005 20 0 CGADHO CC1([NH+]2CCCCC2)CCN(CC2CC=CC2)CC1 ZINC000879951178 619524125 /nfs/dbraw/zinc/52/41/25/619524125.db2.gz JQDCFVHOGKZLSV-UHFFFAOYSA-N 1 3 262.441 3.293 20 0 CGADHO CC(C)O[C@@H](C[NH2+]CC[C@@H](C)N(C)C)c1ccccc1 ZINC000895293476 619798034 /nfs/dbraw/zinc/79/80/34/619798034.db2.gz MIBPPTSBKSCJJN-WBVHZDCISA-N 1 3 278.440 3.083 20 0 CGADHO C[NH+]1CCC(CNC2(c3c(F)cccc3F)CCC2)CC1 ZINC000895673777 619867203 /nfs/dbraw/zinc/86/72/03/619867203.db2.gz ITGHJLXQALRHPT-UHFFFAOYSA-N 1 3 294.389 3.275 20 0 CGADHO CC1(N2CCC2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000895671993 619869269 /nfs/dbraw/zinc/86/92/69/619869269.db2.gz SKAMLXMZVWOJIP-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000898306502 620509234 /nfs/dbraw/zinc/50/92/34/620509234.db2.gz KIHDNRMMHABYTL-UHFFFAOYSA-N 1 3 273.424 3.188 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000898306502 620509235 /nfs/dbraw/zinc/50/92/35/620509235.db2.gz KIHDNRMMHABYTL-UHFFFAOYSA-N 1 3 273.424 3.188 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924752012 620624912 /nfs/dbraw/zinc/62/49/12/620624912.db2.gz MPUNFBFGVLMMQW-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902452201 621331395 /nfs/dbraw/zinc/33/13/95/621331395.db2.gz KHQRKHFGRMGZIR-MQYQWHSLSA-N 1 3 282.497 3.027 20 0 CGADHO C1CC12CCC[C@@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C2 ZINC000902455270 621332569 /nfs/dbraw/zinc/33/25/69/621332569.db2.gz XTDNWTDBNSVPFU-IXDOHACOSA-N 1 3 276.468 3.467 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902472104 621342026 /nfs/dbraw/zinc/34/20/26/621342026.db2.gz WSFBVQXZTBFUMS-FPSMNIFISA-N 1 3 270.420 3.195 20 0 CGADHO CC1(C)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C(C)(C)O1 ZINC000903147003 621598655 /nfs/dbraw/zinc/59/86/55/621598655.db2.gz LTRDQZNEIFBXCH-WDVRLDOZSA-N 1 3 292.467 3.080 20 0 CGADHO CC1(C)C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)O1 ZINC000903147003 621598660 /nfs/dbraw/zinc/59/86/60/621598660.db2.gz LTRDQZNEIFBXCH-WDVRLDOZSA-N 1 3 292.467 3.080 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H](C1CC1)C1CCC1)c1cccnc1 ZINC000903379887 621721905 /nfs/dbraw/zinc/72/19/05/621721905.db2.gz ZXSWEHZOLGDAAT-ROUUACIJSA-N 1 3 287.451 3.243 20 0 CGADHO c1cnc2ccc(CN3CCCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000903959124 621836727 /nfs/dbraw/zinc/83/67/27/621836727.db2.gz AWSCLYLPRJCWQA-IBGZPJMESA-N 1 3 295.430 3.200 20 0 CGADHO CSc1ccccc1C[C@@H](C)NCCC(C)(C)[NH3+] ZINC000903939986 621838203 /nfs/dbraw/zinc/83/82/03/621838203.db2.gz SCEWPLZNPMOBCV-GFCCVEGCSA-N 1 3 266.454 3.057 20 0 CGADHO CC(C)c1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903955301 621843330 /nfs/dbraw/zinc/84/33/30/621843330.db2.gz ORGHTZMEKZTZES-OAHLLOKOSA-N 1 3 282.378 3.144 20 0 CGADHO C[C@H](c1ccccc1Br)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346165 621910714 /nfs/dbraw/zinc/91/07/14/621910714.db2.gz PSRPIONRGZAQCR-UTUOFQBUSA-N 1 3 297.240 3.179 20 0 CGADHO [NH3+]C[C@@H]1CN(CC2CCC3(CC3)CC2)C[C@@H]1C(F)(F)F ZINC000923425206 626152292 /nfs/dbraw/zinc/15/22/92/626152292.db2.gz JRUTTYPCBVHIGF-OLZOCXBDSA-N 1 3 290.373 3.026 20 0 CGADHO C[C@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923502712 626158431 /nfs/dbraw/zinc/15/84/31/626158431.db2.gz DPAKMUJYSCFYSC-RYUDHWBXSA-N 1 3 286.341 3.122 20 0 CGADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCC2)cc1C ZINC000753612754 626458788 /nfs/dbraw/zinc/45/87/88/626458788.db2.gz UABQXHGXXKNHSV-MRXNPFEDSA-N 1 3 290.451 3.449 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000754785663 626587460 /nfs/dbraw/zinc/58/74/60/626587460.db2.gz MZMSPPJEWUNJPE-XYPHTWIQSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000754785663 626587461 /nfs/dbraw/zinc/58/74/61/626587461.db2.gz MZMSPPJEWUNJPE-XYPHTWIQSA-N 1 3 276.399 3.146 20 0 CGADHO COc1ccc2c(c1)nccc2N1CCC[C@H]([NH+](C)C)CC1 ZINC000758211067 626833272 /nfs/dbraw/zinc/83/32/72/626833272.db2.gz ORFOQQMXULPTJO-AWEZNQCLSA-N 1 3 299.418 3.164 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCc3cc(C)ccc32)C1 ZINC000765293045 627245407 /nfs/dbraw/zinc/24/54/07/627245407.db2.gz YUUSHIXZPKGVNQ-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCc3cc(C)ccc32)C1 ZINC000765293045 627245408 /nfs/dbraw/zinc/24/54/08/627245408.db2.gz YUUSHIXZPKGVNQ-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000765507233 627255033 /nfs/dbraw/zinc/25/50/33/627255033.db2.gz BQLNKVYPEVYNGK-QWHCGFSZSA-N 1 3 285.391 3.138 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000765507233 627255036 /nfs/dbraw/zinc/25/50/36/627255036.db2.gz BQLNKVYPEVYNGK-QWHCGFSZSA-N 1 3 285.391 3.138 20 0 CGADHO CN1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000767423619 627407356 /nfs/dbraw/zinc/40/73/56/627407356.db2.gz CTCNJLPKOBJXEJ-HNNXBMFYSA-N 1 3 264.388 3.135 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNc2ccnc3cc(OC)ccc32)C1 ZINC000774515664 627999641 /nfs/dbraw/zinc/99/96/41/627999641.db2.gz CETCPHPSDMMMFM-CQSZACIVSA-N 1 3 299.418 3.387 20 0 CGADHO CCC[N@H+]1CC[C@H](CNc2ccnc3cc(OC)ccc32)C1 ZINC000774515664 627999642 /nfs/dbraw/zinc/99/96/42/627999642.db2.gz CETCPHPSDMMMFM-CQSZACIVSA-N 1 3 299.418 3.387 20 0 CGADHO C[C@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000783230978 628691426 /nfs/dbraw/zinc/69/14/26/628691426.db2.gz OKKUDPQNBJKTNE-WMLDXEAASA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000783233073 628692317 /nfs/dbraw/zinc/69/23/17/628692317.db2.gz YJPQRYDPGDFHLC-BBRMVZONSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)c1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000783315218 628703051 /nfs/dbraw/zinc/70/30/51/628703051.db2.gz AETKUIPPPYNUPA-GOEBONIOSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000783315218 628703054 /nfs/dbraw/zinc/70/30/54/628703054.db2.gz AETKUIPPPYNUPA-GOEBONIOSA-N 1 3 260.425 3.382 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000783526109 628721824 /nfs/dbraw/zinc/72/18/24/628721824.db2.gz SFTMYGYAOXLSIK-INIZCTEOSA-N 1 3 282.497 3.126 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790055718 629180973 /nfs/dbraw/zinc/18/09/73/629180973.db2.gz QQJULKPSJJLBKL-WBVHZDCISA-N 1 3 272.436 3.038 20 0 CGADHO Cc1ncc(CNCCCCCCC[NH+]2CCCC2)o1 ZINC000862276998 629336213 /nfs/dbraw/zinc/33/62/13/629336213.db2.gz LCTCGWYDIQOALC-UHFFFAOYSA-N 1 3 279.428 3.119 20 0 CGADHO Cc1cc(CNCCCCCCC[NH+]2CCCC2)on1 ZINC000865451458 630130751 /nfs/dbraw/zinc/13/07/51/630130751.db2.gz ORWSZFOBFFRUET-UHFFFAOYSA-N 1 3 279.428 3.119 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H](C)C[N@H+](C)C(C)C ZINC000811858677 631127924 /nfs/dbraw/zinc/12/79/24/631127924.db2.gz FWMJNGRLQWVDCD-CYBMUJFWSA-N 1 3 287.407 3.384 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H](C)C[N@@H+](C)C(C)C ZINC000811858677 631127926 /nfs/dbraw/zinc/12/79/26/631127926.db2.gz FWMJNGRLQWVDCD-CYBMUJFWSA-N 1 3 287.407 3.384 20 0 CGADHO C[C@H](NCC[C@]1(C)CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000817936148 632237528 /nfs/dbraw/zinc/23/75/28/632237528.db2.gz HATZIIHJIKYNIW-SDDRHHMPSA-N 1 3 279.255 3.081 20 0 CGADHO COc1ccccc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817948104 632244505 /nfs/dbraw/zinc/24/45/05/632244505.db2.gz VPQXWJIFMLWNTL-AWEZNQCLSA-N 1 3 284.403 3.047 20 0 CGADHO C([NH2+]C1CCCCCCCCCCC1)C1CNC1 ZINC000817965975 632248821 /nfs/dbraw/zinc/24/88/21/632248821.db2.gz XYICEFHYWGNPPC-UHFFFAOYSA-N 1 3 252.446 3.469 20 0 CGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc2c(c1)CCO2 ZINC000817959922 632256632 /nfs/dbraw/zinc/25/66/32/632256632.db2.gz HOFXEFGSHDYINP-HNNXBMFYSA-N 1 3 276.424 3.180 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965149 632260486 /nfs/dbraw/zinc/26/04/86/632260486.db2.gz MRGTWEGRMICIRL-ZANVPECISA-N 1 3 286.391 3.389 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000818341312 632311114 /nfs/dbraw/zinc/31/11/14/632311114.db2.gz YZDPWDCFPKFNFV-CHWSQXEVSA-N 1 3 286.391 3.361 20 0 CGADHO CC[C@@](C)(NCCCCCCC[NH3+])c1nccs1 ZINC000844221641 635833767 /nfs/dbraw/zinc/83/37/67/635833767.db2.gz QIFOUCQXCNNBAM-CQSZACIVSA-N 1 3 269.458 3.267 20 0 CGADHO Clc1cnc(CN[C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232224 634294104 /nfs/dbraw/zinc/29/41/04/634294104.db2.gz CKHPYYHHCQFCAE-LLVKDONJSA-N 1 3 299.871 3.199 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCC[C@H]1CN)C(F)(F)F ZINC000873247355 634298844 /nfs/dbraw/zinc/29/88/44/634298844.db2.gz LKAPVJREDXWGKC-QWRGUYRKSA-N 1 3 266.351 3.072 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]C2CC(Nc3ccccc3)C2)c2ccccc21 ZINC000873295306 634324157 /nfs/dbraw/zinc/32/41/57/634324157.db2.gz FEWPVNKUGKBWSV-QIRNKGDASA-N 1 3 293.414 3.364 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc2cnccc2c1 ZINC000843054074 635551701 /nfs/dbraw/zinc/55/17/01/635551701.db2.gz XJGQCNVOQJWJSI-AYHJJNSGSA-N 1 3 281.403 3.079 20 0 CGADHO [NH3+]CCCCCCNCc1c(F)cccc1Cl ZINC000843127181 635562201 /nfs/dbraw/zinc/56/22/01/635562201.db2.gz AXPDANWXPJTQED-UHFFFAOYSA-N 1 3 258.768 3.088 20 0 CGADHO CN1CC[C@@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000879573476 635814719 /nfs/dbraw/zinc/81/47/19/635814719.db2.gz OPHCYQFFTPKKQO-WOJBJXKFSA-N 1 3 294.442 3.408 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000879573476 635814723 /nfs/dbraw/zinc/81/47/23/635814723.db2.gz OPHCYQFFTPKKQO-WOJBJXKFSA-N 1 3 294.442 3.408 20 0 CGADHO Cc1csc([C@H]2CC[N@H+](CCCN3CCCCC3)C2)n1 ZINC000880010094 635898487 /nfs/dbraw/zinc/89/84/87/635898487.db2.gz UJSIDARHXCTZPQ-HNNXBMFYSA-N 1 3 293.480 3.117 20 0 CGADHO Cc1csc([C@H]2CC[N@@H+](CCCN3CCCCC3)C2)n1 ZINC000880010094 635898488 /nfs/dbraw/zinc/89/84/88/635898488.db2.gz UJSIDARHXCTZPQ-HNNXBMFYSA-N 1 3 293.480 3.117 20 0 CGADHO CC1CCC(CN2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000130194017 636429929 /nfs/dbraw/zinc/42/99/29/636429929.db2.gz FOUJXNHTWHFHMJ-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCN1CCCCCC1 ZINC000849059584 636734362 /nfs/dbraw/zinc/73/43/62/636734362.db2.gz VIKHYJIVQBGGLJ-MRXNPFEDSA-N 1 3 296.503 3.191 20 0 CGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2C=CCC2)CC1 ZINC000850358635 637026587 /nfs/dbraw/zinc/02/65/87/637026587.db2.gz IEGPJKXHBJZKSB-SFHVURJKSA-N 1 3 299.462 3.027 20 0 CGADHO Clc1ccc(CNCCCCC[NH+]2CCCC2)nc1 ZINC000886127390 637427043 /nfs/dbraw/zinc/42/70/43/637427043.db2.gz JUYAIZDUHWOIBY-UHFFFAOYSA-N 1 3 281.831 3.091 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000886718069 637671576 /nfs/dbraw/zinc/67/15/76/637671576.db2.gz PXQBAEXMSSBDNX-CQSZACIVSA-N 1 3 286.410 3.372 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2(C)CCC2)CC1 ZINC000886718213 637671973 /nfs/dbraw/zinc/67/19/73/637671973.db2.gz TVMMIDIHJSSCLQ-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CCC1([NH+]2CCC2)CCN(CC2(C)CCC2)CC1 ZINC000886718213 637671978 /nfs/dbraw/zinc/67/19/78/637671978.db2.gz TVMMIDIHJSSCLQ-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134455 637754807 /nfs/dbraw/zinc/75/48/07/637754807.db2.gz KAKQDTMFMABDRY-KBPBESRZSA-N 1 3 297.393 3.274 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853242036 637792614 /nfs/dbraw/zinc/79/26/14/637792614.db2.gz ZNKVUCLDYBBYKP-IKGGRYGDSA-N 1 3 264.457 3.133 20 0 CGADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[C@H]2C2CC2)cc1 ZINC000854224756 638027472 /nfs/dbraw/zinc/02/74/72/638027472.db2.gz QVVMEXMLWHFTTO-XSLAGTTESA-N 1 3 288.410 3.049 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924570794 638364613 /nfs/dbraw/zinc/36/46/13/638364613.db2.gz CEMOMROEOVSRPH-KURKYZTESA-N 1 3 296.499 3.172 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924688146 638388004 /nfs/dbraw/zinc/38/80/04/638388004.db2.gz QYZYZVJRSXIUEK-UONOGXRCSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccns1 ZINC000924688146 638388007 /nfs/dbraw/zinc/38/80/07/638388007.db2.gz QYZYZVJRSXIUEK-UONOGXRCSA-N 1 3 281.469 3.448 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)C(C)(C)CO ZINC000924855507 638415223 /nfs/dbraw/zinc/41/52/23/638415223.db2.gz KLRYANNLCGEZTO-HNNXBMFYSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)C1 ZINC000924962035 638432205 /nfs/dbraw/zinc/43/22/05/638432205.db2.gz YEXRLESAOGMRGN-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925609636 638543972 /nfs/dbraw/zinc/54/39/72/638543972.db2.gz AGRVMWNEJRILMV-DLBZAZTESA-N 1 3 296.499 3.076 20 0 CGADHO c1csc(CCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925628610 638549323 /nfs/dbraw/zinc/54/93/23/638549323.db2.gz FDPKXJJATKLWEZ-IAGOWNOFSA-N 1 3 292.492 3.439 20 0 CGADHO CCC(C)(C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925650661 638556156 /nfs/dbraw/zinc/55/61/56/638556156.db2.gz QLDPQAQWSQSAII-LSDHHAIUSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]([NH3+])[C@@H](NC1CCC2(CC2)CC1)c1ccccc1 ZINC000925652268 638557938 /nfs/dbraw/zinc/55/79/38/638557938.db2.gz PGBONXOSIATVMP-CZUORRHYSA-N 1 3 258.409 3.387 20 0 CGADHO CC1(C)[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)[C@@H]2CCCN[C@@H]21 ZINC000925661411 638560580 /nfs/dbraw/zinc/56/05/80/638560580.db2.gz DNNWUSNOWKTZRI-BPQIPLTHSA-N 1 3 297.446 3.077 20 0 CGADHO CC1(C)[C@H](NCCc2ccc3[nH]ccc3c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925661411 638560586 /nfs/dbraw/zinc/56/05/86/638560586.db2.gz DNNWUSNOWKTZRI-BPQIPLTHSA-N 1 3 297.446 3.077 20 0 CGADHO C1CC12CCC[C@H]2[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925726106 638583419 /nfs/dbraw/zinc/58/34/19/638583419.db2.gz YOWHPBPHDDZXPF-HRCADAONSA-N 1 3 262.441 3.077 20 0 CGADHO CC1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC(F)(F)C1 ZINC000925733847 638588060 /nfs/dbraw/zinc/58/80/60/638588060.db2.gz LOHIOBHNQBUAFW-KGLIPLIRSA-N 1 3 286.410 3.180 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccccc1C(F)(F)F ZINC000925740641 638591573 /nfs/dbraw/zinc/59/15/73/638591573.db2.gz JDECSTDXFYHEKT-SNVBAGLBSA-N 1 3 274.330 3.483 20 0 CGADHO COc1c(C)cc([C@@H](C)NCCC(C)(C)[NH3+])cc1Cl ZINC000925739617 638591620 /nfs/dbraw/zinc/59/16/20/638591620.db2.gz ZYPTVKPJEUNJDC-LLVKDONJSA-N 1 3 284.831 3.435 20 0 CGADHO CCCCO[C@H]1C[C@@H](N2CCC([NH3+])(CC)CC2)C1(C)C ZINC000925756966 638599672 /nfs/dbraw/zinc/59/96/72/638599672.db2.gz QMTFYTUKFHFHQV-CABCVRRESA-N 1 3 282.472 3.174 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000925760528 638601168 /nfs/dbraw/zinc/60/11/68/638601168.db2.gz XJGJBDSBXCBGIG-QGZVFWFLSA-N 1 3 288.435 3.276 20 0 CGADHO CC[C@@H](NCC1CCC(SC)CC1)[C@@H]1CCC[NH2+]1 ZINC000925803348 638617231 /nfs/dbraw/zinc/61/72/31/638617231.db2.gz YCEOWANPUIAUEC-CVSAEHQPSA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000926354944 638765548 /nfs/dbraw/zinc/76/55/48/638765548.db2.gz LFRPSXVQABXTLF-HOTGVXAUSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCC(C)(F)F)CC1 ZINC000926496083 638778007 /nfs/dbraw/zinc/77/80/07/638778007.db2.gz ZSWBZEVIKPVZAX-UHFFFAOYSA-N 1 3 262.388 3.132 20 0 CGADHO CC(C)CC[NH+]1CCC(NCCC(C)(F)F)CC1 ZINC000926496083 638778009 /nfs/dbraw/zinc/77/80/09/638778009.db2.gz ZSWBZEVIKPVZAX-UHFFFAOYSA-N 1 3 262.388 3.132 20 0 CGADHO CCC[C@@H](CNC1CC[NH+](CCC(C)C)CC1)OCC ZINC000926741341 638805719 /nfs/dbraw/zinc/80/57/19/638805719.db2.gz DUYIKKOYLVFVFY-KRWDZBQOSA-N 1 3 284.488 3.292 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926755201 638807381 /nfs/dbraw/zinc/80/73/81/638807381.db2.gz VFBNKWVOXAUBNR-ZFWWWQNUSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)CCOCCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213308 639110937 /nfs/dbraw/zinc/11/09/37/639110937.db2.gz GKDWMSFZHNNZGQ-UHFFFAOYSA-N 1 3 292.467 3.243 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931433921 639148169 /nfs/dbraw/zinc/14/81/69/639148169.db2.gz LDARGUOFYMNUMT-GVDBMIGSSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931433921 639148170 /nfs/dbraw/zinc/14/81/70/639148170.db2.gz LDARGUOFYMNUMT-GVDBMIGSSA-N 1 3 258.409 3.021 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)s1 ZINC000084219283 640606799 /nfs/dbraw/zinc/60/67/99/640606799.db2.gz PIEROYBWDCTATD-AEJSXWLSSA-N 1 3 258.818 3.180 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247213906 640712662 /nfs/dbraw/zinc/71/26/62/640712662.db2.gz XDZQHIOYXWJFKG-ZIAGYGMSSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253191747 640874536 /nfs/dbraw/zinc/87/45/36/640874536.db2.gz MNBFTEZNVQLQNR-YRGRVCCFSA-N 1 3 298.377 3.266 20 0 CGADHO CC[NH+]1CCC(c2nc3ccc(F)c(C)c3[nH]2)CC1 ZINC001250570282 805699771 /nfs/dbraw/zinc/69/97/71/805699771.db2.gz FEQUFMZVMYWNCI-UHFFFAOYSA-N 1 3 261.344 3.210 20 0 CGADHO CCCC[C@@H](O)CNCCC[NH+](CCCC)CCCC ZINC001252113317 806002702 /nfs/dbraw/zinc/00/27/02/806002702.db2.gz XYYZLHZULZYDAL-QGZVFWFLSA-N 1 3 286.504 3.419 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505921 806424187 /nfs/dbraw/zinc/42/41/87/806424187.db2.gz LXIAVQDUUJKWHL-GOEBONIOSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505921 806424192 /nfs/dbraw/zinc/42/41/92/806424192.db2.gz LXIAVQDUUJKWHL-GOEBONIOSA-N 1 3 278.827 3.401 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCN(C)CC1)c1ccccc1F ZINC001254505896 806425253 /nfs/dbraw/zinc/42/52/53/806425253.db2.gz LEVUMIHUNJSQAB-BBRMVZONSA-N 1 3 264.388 3.351 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC001254513372 806432654 /nfs/dbraw/zinc/43/26/54/806432654.db2.gz XFXGQMAFFHTKSF-LSDHHAIUSA-N 1 3 276.424 3.220 20 0 CGADHO CCCC[C@@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257415098 807144728 /nfs/dbraw/zinc/14/47/28/807144728.db2.gz WBFPVYZJHUHKDT-BRWVUGGUSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001255669230 806699775 /nfs/dbraw/zinc/69/97/75/806699775.db2.gz SINUXNKMGOWLML-NPYXIHBLSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001255669230 806699781 /nfs/dbraw/zinc/69/97/81/806699781.db2.gz SINUXNKMGOWLML-NPYXIHBLSA-N 1 3 273.424 3.138 20 0 CGADHO Cc1cnccc1[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255671875 806701477 /nfs/dbraw/zinc/70/14/77/806701477.db2.gz WQCUXQSEZAGAGE-RGPMPMONSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cnccc1[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255671875 806701481 /nfs/dbraw/zinc/70/14/81/806701481.db2.gz WQCUXQSEZAGAGE-RGPMPMONSA-N 1 3 299.462 3.446 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1nc2c(s1)CCC2 ZINC000093052462 798961886 /nfs/dbraw/zinc/96/18/86/798961886.db2.gz BHZCLCACUMAMEA-ZDUSSCGKSA-N 1 3 295.496 3.232 20 0 CGADHO CCC[N@H+](CCCN)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689277 806706939 /nfs/dbraw/zinc/70/69/39/806706939.db2.gz IXUGJOZZBUMLJB-RYUDHWBXSA-N 1 3 266.351 3.168 20 0 CGADHO CCC[N@@H+](CCCN)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255689277 806706941 /nfs/dbraw/zinc/70/69/41/806706941.db2.gz IXUGJOZZBUMLJB-RYUDHWBXSA-N 1 3 266.351 3.168 20 0 CGADHO CCC[N@H+](CCCN)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689275 806707100 /nfs/dbraw/zinc/70/71/00/806707100.db2.gz IXUGJOZZBUMLJB-NEPJUHHUSA-N 1 3 266.351 3.168 20 0 CGADHO CCC[N@@H+](CCCN)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689275 806707105 /nfs/dbraw/zinc/70/71/05/806707105.db2.gz IXUGJOZZBUMLJB-NEPJUHHUSA-N 1 3 266.351 3.168 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000339084283 799280262 /nfs/dbraw/zinc/28/02/62/799280262.db2.gz JRRCYUXQHMIRIM-QXSJWSMHSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451575 799379327 /nfs/dbraw/zinc/37/93/27/799379327.db2.gz GZWYOEYCBRKULK-CXAGYDPISA-N 1 3 254.377 3.151 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451575 799379336 /nfs/dbraw/zinc/37/93/36/799379336.db2.gz GZWYOEYCBRKULK-CXAGYDPISA-N 1 3 254.377 3.151 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)CN1CCCCC1 ZINC000382048028 799392885 /nfs/dbraw/zinc/39/28/85/799392885.db2.gz VUGJTZJGOXHQII-ZGRYLRDCSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000388660715 799454999 /nfs/dbraw/zinc/45/49/99/799454999.db2.gz AVQZUUXDQYXPBN-LLVKDONJSA-N 1 3 284.806 3.472 20 0 CGADHO C(C1CCOCC1)N1CCC([NH2+]C2CCCCCC2)CC1 ZINC001255882556 806781105 /nfs/dbraw/zinc/78/11/05/806781105.db2.gz AMIFJOPADUZZLS-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000700823805 799881641 /nfs/dbraw/zinc/88/16/41/799881641.db2.gz SIUOYUJEENAMEZ-MGPQQGTHSA-N 1 3 292.389 3.429 20 0 CGADHO CC[NH+](CC)CC[C@H](C)n1c2ccccc2nc1[C@@H](C)N ZINC001255940860 806789630 /nfs/dbraw/zinc/78/96/30/806789630.db2.gz HNWZWZZZRJZIFJ-UONOGXRCSA-N 1 3 288.439 3.349 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1ccc(OC)cc1 ZINC001255942392 806791120 /nfs/dbraw/zinc/79/11/20/806791120.db2.gz FRQJBGAFGHLABT-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](C(C)(C)O)CC1 ZINC001255945371 806791243 /nfs/dbraw/zinc/79/12/43/806791243.db2.gz KRFMGEBSAYEWHP-JYJNAYRXSA-N 1 3 284.488 3.026 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1C[C@H]1c1ccccc1 ZINC001255946183 806793028 /nfs/dbraw/zinc/79/30/28/806793028.db2.gz RUQBSFRTRLQFEX-PVAVHDDUSA-N 1 3 260.425 3.253 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1cc(C)ccn1 ZINC001255947805 806793515 /nfs/dbraw/zinc/79/35/15/806793515.db2.gz WVNHGFJVCPHJDY-MRXNPFEDSA-N 1 3 277.456 3.033 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001255950580 806795294 /nfs/dbraw/zinc/79/52/94/806795294.db2.gz ATPALHVLQJSLNI-RDJZCZTQSA-N 1 3 274.452 3.426 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCCCCCCO ZINC001255951223 806795834 /nfs/dbraw/zinc/79/58/34/806795834.db2.gz NZUMORSQPWUIDV-MRXNPFEDSA-N 1 3 272.477 3.029 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850059 800020123 /nfs/dbraw/zinc/02/01/23/800020123.db2.gz MWDQSQNKOVSVRZ-VYDXJSESSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850059 800020129 /nfs/dbraw/zinc/02/01/29/800020129.db2.gz MWDQSQNKOVSVRZ-VYDXJSESSA-N 1 3 264.457 3.277 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1(CC(C)C)CCOCC1 ZINC001255954501 806796734 /nfs/dbraw/zinc/79/67/34/806796734.db2.gz WSKLFDKFVUNXRI-INIZCTEOSA-N 1 3 284.488 3.292 20 0 CGADHO CN(CCCCCC[NH3+])Cc1ccc(Cl)cc1F ZINC000710800879 800039844 /nfs/dbraw/zinc/03/98/44/800039844.db2.gz ZSTVCUXLQRJRRS-UHFFFAOYSA-N 1 3 272.795 3.430 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001255955758 806797829 /nfs/dbraw/zinc/79/78/29/806797829.db2.gz DKOYDQWOZYXBBB-KBPBESRZSA-N 1 3 276.415 3.474 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001255955758 806797831 /nfs/dbraw/zinc/79/78/31/806797831.db2.gz DKOYDQWOZYXBBB-KBPBESRZSA-N 1 3 276.415 3.474 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001255955760 806798565 /nfs/dbraw/zinc/79/85/65/806798565.db2.gz DKOYDQWOZYXBBB-KGLIPLIRSA-N 1 3 276.415 3.474 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001255955760 806798568 /nfs/dbraw/zinc/79/85/68/806798568.db2.gz DKOYDQWOZYXBBB-KGLIPLIRSA-N 1 3 276.415 3.474 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001255963773 806802524 /nfs/dbraw/zinc/80/25/24/806802524.db2.gz KFFZNKQDBPFMND-LBPRGKRZSA-N 1 3 262.388 3.084 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001255963773 806802531 /nfs/dbraw/zinc/80/25/31/806802531.db2.gz KFFZNKQDBPFMND-LBPRGKRZSA-N 1 3 262.388 3.084 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+](C1CCC1)C1CCOCC1 ZINC001255969371 806803385 /nfs/dbraw/zinc/80/33/85/806803385.db2.gz YYPQSTZJPHWDCB-HNNXBMFYSA-N 1 3 282.472 3.140 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+](C1CCC1)C1CCOCC1 ZINC001255969371 806803393 /nfs/dbraw/zinc/80/33/93/806803393.db2.gz YYPQSTZJPHWDCB-HNNXBMFYSA-N 1 3 282.472 3.140 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@@H](C)C1 ZINC000715511820 800137967 /nfs/dbraw/zinc/13/79/67/800137967.db2.gz LUGJRFFIOPLSCV-LEOABGAYSA-N 1 3 252.446 3.274 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000718756051 800221838 /nfs/dbraw/zinc/22/18/38/800221838.db2.gz WCZFMTMKBLEPLI-GVDBMIGSSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@H](CC[NH3+])C1 ZINC000723692167 800337676 /nfs/dbraw/zinc/33/76/76/800337676.db2.gz XWALTEKCYHYIFF-QWRGUYRKSA-N 1 3 270.779 3.211 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3ccc(OC)cc32)C1 ZINC000892730833 800568499 /nfs/dbraw/zinc/56/84/99/800568499.db2.gz KAKWSUQZMDEJCG-AWEZNQCLSA-N 1 3 299.418 3.021 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3ccc(OC)cc32)C1 ZINC000892730833 800568505 /nfs/dbraw/zinc/56/85/05/800568505.db2.gz KAKWSUQZMDEJCG-AWEZNQCLSA-N 1 3 299.418 3.021 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000925705238 800632407 /nfs/dbraw/zinc/63/24/07/800632407.db2.gz ANEUMNAVPVGKLB-DZVNLGKHSA-N 1 3 284.447 3.156 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925776904 800634034 /nfs/dbraw/zinc/63/40/34/800634034.db2.gz AEBVAPAXWIMZSG-KBPBESRZSA-N 1 3 282.378 3.199 20 0 CGADHO CC(C)CC[C@H](C)N1CCC([NH3+])(c2cccnc2)CC1 ZINC001256359615 806866140 /nfs/dbraw/zinc/86/61/40/806866140.db2.gz TYKYYGRVLYNJIW-HNNXBMFYSA-N 1 3 275.440 3.156 20 0 CGADHO CCCOC1CC[NH+](C2CCN(C(C)(C)C)CC2)CC1 ZINC001256571036 806918907 /nfs/dbraw/zinc/91/89/07/806918907.db2.gz ATTKJDZSQIZUAE-UHFFFAOYSA-N 1 3 282.472 3.140 20 0 CGADHO C(CC1CCCCC1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677535 806945939 /nfs/dbraw/zinc/94/59/39/806945939.db2.gz FDMBTXOQJWLNDQ-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO C[NH2+]Cc1cccc(Nc2ncccc2CN2CCCC2)c1 ZINC001165141952 806971938 /nfs/dbraw/zinc/97/19/38/806971938.db2.gz WZISEUOCRSWVMM-UHFFFAOYSA-N 1 3 296.418 3.140 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cnccc3Cl)CC2)CC1 ZINC001137239452 803703243 /nfs/dbraw/zinc/70/32/43/803703243.db2.gz VSEXJLXHCHVXKD-UHFFFAOYSA-N 1 3 293.842 3.043 20 0 CGADHO CN(C)c1ccnc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001245346802 803706188 /nfs/dbraw/zinc/70/61/88/803706188.db2.gz NZWYDFQEHRXRIA-INIZCTEOSA-N 1 3 267.376 3.239 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138062642 803844656 /nfs/dbraw/zinc/84/46/56/803844656.db2.gz UQZCPQZWROQGDI-LJQANCHMSA-N 1 3 296.414 3.073 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138062642 803844661 /nfs/dbraw/zinc/84/46/61/803844661.db2.gz UQZCPQZWROQGDI-LJQANCHMSA-N 1 3 296.414 3.073 20 0 CGADHO Cc1ccc2[nH]c(CN3CCC(C[NH+](C)C)CC3)cc2c1 ZINC001138415787 803923899 /nfs/dbraw/zinc/92/38/99/803923899.db2.gz MEZXYICAQSFUQP-UHFFFAOYSA-N 1 3 285.435 3.250 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246094062 804126883 /nfs/dbraw/zinc/12/68/83/804126883.db2.gz FKZASKWGKCORAG-FVQHAEBGSA-N 1 3 260.425 3.128 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2)CCN1 ZINC001246094073 804127252 /nfs/dbraw/zinc/12/72/52/804127252.db2.gz FUCBQRGVMVSVKD-MSOLQXFVSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(C)cc2)CC[NH2+]1 ZINC001246094073 804127255 /nfs/dbraw/zinc/12/72/55/804127255.db2.gz FUCBQRGVMVSVKD-MSOLQXFVSA-N 1 3 274.452 3.438 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC001246099038 804131340 /nfs/dbraw/zinc/13/13/40/804131340.db2.gz LCOAAIPYBWDYRO-JYJNAYRXSA-N 1 3 292.492 3.311 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246103400 804137356 /nfs/dbraw/zinc/13/73/56/804137356.db2.gz ZEUSJNQYXCDMJR-IAGOWNOFSA-N 1 3 290.451 3.138 20 0 CGADHO CCCCCC1CCC([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC1 ZINC001246153592 804171246 /nfs/dbraw/zinc/17/12/46/804171246.db2.gz YSLVDFCVNJGZEJ-IKIPUTRUSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)C[C@H](C)N1 ZINC001246168393 804182953 /nfs/dbraw/zinc/18/29/53/804182953.db2.gz CWNFRGUSTBOKDY-YWVIFJGQSA-N 1 3 278.415 3.265 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)s1 ZINC001246168843 804184521 /nfs/dbraw/zinc/18/45/21/804184521.db2.gz LKGAWYTVYAUYRM-DZGCQCFKSA-N 1 3 280.481 3.355 20 0 CGADHO CCC(CC)(N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246184445 804197448 /nfs/dbraw/zinc/19/74/48/804197448.db2.gz LHSIWTRJHNYJGB-HOCLYGCPSA-N 1 3 260.425 3.432 20 0 CGADHO CCC(CC)([NH2+][C@H]1CCN[C@@H](C)C1)c1ccccc1 ZINC001246184445 804197452 /nfs/dbraw/zinc/19/74/52/804197452.db2.gz LHSIWTRJHNYJGB-HOCLYGCPSA-N 1 3 260.425 3.432 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246205351 804206503 /nfs/dbraw/zinc/20/65/03/804206503.db2.gz MQNDAYWVJHSERB-QJPTWQEYSA-N 1 3 284.806 3.270 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC001246213165 804209821 /nfs/dbraw/zinc/20/98/21/804209821.db2.gz ZEMDFGXKHBTJSS-KBAYOESNSA-N 1 3 274.452 3.376 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2N[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246236662 804228540 /nfs/dbraw/zinc/22/85/40/804228540.db2.gz XZTXCNCKOOKXSV-FGTMMUONSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCC2CCCCCCC2)CCN1 ZINC001246238614 804230173 /nfs/dbraw/zinc/23/01/73/804230173.db2.gz QKTCXXCPKPEJES-GOEBONIOSA-N 1 3 252.446 3.467 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC001246239368 804232267 /nfs/dbraw/zinc/23/22/67/804232267.db2.gz NCNCBZMKNUEIDU-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)NCC[C@H]1CCC[NH2+]1 ZINC001246275244 804251106 /nfs/dbraw/zinc/25/11/06/804251106.db2.gz ZXSBJKVHSPUWHI-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246281079 804256666 /nfs/dbraw/zinc/25/66/66/804256666.db2.gz YZZCEOPSCFHWPR-YWPUVAFDSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246287015 804260004 /nfs/dbraw/zinc/26/00/04/804260004.db2.gz JONHIMVEJFGELH-XYPHTWIQSA-N 1 3 258.409 3.258 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccccc1C(F)F)CC2 ZINC001139800682 804283802 /nfs/dbraw/zinc/28/38/02/804283802.db2.gz VABRZVRHXAAQMI-UHFFFAOYSA-N 1 3 280.362 3.152 20 0 CGADHO CCCC[C@H](CCC)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246328920 804284820 /nfs/dbraw/zinc/28/48/20/804284820.db2.gz ZSCCINNLBAQTFW-HNNXBMFYSA-N 1 3 298.471 3.010 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246331544 804286496 /nfs/dbraw/zinc/28/64/96/804286496.db2.gz CLAYCBNHEGIMRI-WJWMFLMHSA-N 1 3 276.468 3.466 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246331854 804286551 /nfs/dbraw/zinc/28/65/51/804286551.db2.gz KAMSBWUWYHPMOE-RFBLXINOSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@@H](C[NH3+])C(C)(C)C ZINC001246344900 804296153 /nfs/dbraw/zinc/29/61/53/804296153.db2.gz KTBFOWOYQHWFSQ-RISCZKNCSA-N 1 3 284.444 3.269 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246349507 804297480 /nfs/dbraw/zinc/29/74/80/804297480.db2.gz RLUPQMGVDNDNHS-WNRNVDISSA-N 1 3 272.436 3.126 20 0 CGADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]C(C)(C)CCN ZINC001246366010 804305283 /nfs/dbraw/zinc/30/52/83/804305283.db2.gz WEHWKCIMQXWYJF-LLVKDONJSA-N 1 3 299.256 3.097 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCNCC1(C)C ZINC001246371392 804308654 /nfs/dbraw/zinc/30/86/54/804308654.db2.gz GUARRVIPELPARQ-WFASDCNBSA-N 1 3 280.843 3.249 20 0 CGADHO Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC001246383391 804314007 /nfs/dbraw/zinc/31/40/07/804314007.db2.gz IYOUGBLYTDXHFK-NVXWUHKLSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)CC[C@@H](C)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246382380 804314455 /nfs/dbraw/zinc/31/44/55/804314455.db2.gz WWRHUCNBZLGVHO-CQSZACIVSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc(CC2(C[NH2+][C@@H]3CCNC(C)(C)C3)CC2)cc1 ZINC001246383775 804315684 /nfs/dbraw/zinc/31/56/84/804315684.db2.gz KLHQWRXBYLXXDV-QGZVFWFLSA-N 1 3 286.463 3.438 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246387548 804318200 /nfs/dbraw/zinc/31/82/00/804318200.db2.gz HDEUFVQCWVROBB-SJORKVTESA-N 1 3 290.426 3.269 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246396398 804320283 /nfs/dbraw/zinc/32/02/83/804320283.db2.gz ZHXKJWOVBQMEPY-UONOGXRCSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]1CC([NH2+]C(C)(C)Cc2cccc(F)c2)C[C@H](C)N1 ZINC001246411001 804324096 /nfs/dbraw/zinc/32/40/96/804324096.db2.gz NMZQYIPYTNYCFE-STQMWFEESA-N 1 3 278.415 3.265 20 0 CGADHO Fc1ccc([C@H](CC2CCC2)[NH2+][C@@H]2CCCNC2)cc1 ZINC001246411267 804326317 /nfs/dbraw/zinc/32/63/17/804326317.db2.gz TXHHLTJBDNBIKC-SJORKVTESA-N 1 3 276.399 3.399 20 0 CGADHO CC[C@H]1C[C@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246438540 804333773 /nfs/dbraw/zinc/33/37/73/804333773.db2.gz JJGNBHADGVZBTL-JKSUJKDBSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246438540 804333782 /nfs/dbraw/zinc/33/37/82/804333782.db2.gz JJGNBHADGVZBTL-JKSUJKDBSA-N 1 3 290.426 3.269 20 0 CGADHO CC1CCC([NH2+]C2(CC3CCC3)CCNCC2)CC1 ZINC001246449122 804336786 /nfs/dbraw/zinc/33/67/86/804336786.db2.gz WNHFSOZQFOBSGM-UHFFFAOYSA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)COCC[C@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246448363 804337009 /nfs/dbraw/zinc/33/70/09/804337009.db2.gz TUGBCTFFEIZCOX-INIZCTEOSA-N 1 3 296.499 3.340 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCNCC2)C1 ZINC001246460073 804341392 /nfs/dbraw/zinc/34/13/92/804341392.db2.gz MJJOODDVFVSAPN-WMLDXEAASA-N 1 3 290.426 3.269 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCNCC34CC4)C2)cc1 ZINC001246472261 804349636 /nfs/dbraw/zinc/34/96/36/804349636.db2.gz HSGLRDGZSYLIKI-SQNIBIBYSA-N 1 3 284.447 3.445 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246495998 804360838 /nfs/dbraw/zinc/36/08/38/804360838.db2.gz MNAJGGMLGBXMDH-XIRDDKMYSA-N 1 3 260.425 3.128 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246499575 804362356 /nfs/dbraw/zinc/36/23/56/804362356.db2.gz LMYSERYXIIOKAW-GJZGRUSLSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246499577 804362929 /nfs/dbraw/zinc/36/29/29/804362929.db2.gz LMYSERYXIIOKAW-LSDHHAIUSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246521063 804375600 /nfs/dbraw/zinc/37/56/00/804375600.db2.gz YVQCAAVEUFHTOV-QGZVFWFLSA-N 1 3 266.473 3.425 20 0 CGADHO C[N@H+](C1CCCCC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246530363 804381759 /nfs/dbraw/zinc/38/17/59/804381759.db2.gz LNOJERRDRLYFDM-LSDHHAIUSA-N 1 3 252.446 3.418 20 0 CGADHO C[N@@H+](C1CCCCC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246530363 804381768 /nfs/dbraw/zinc/38/17/68/804381768.db2.gz LNOJERRDRLYFDM-LSDHHAIUSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@@H](C)C2)c1 ZINC001246538826 804388913 /nfs/dbraw/zinc/38/89/13/804388913.db2.gz OFMFDEBGURHIQK-XIRDDKMYSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](C)C2)c1 ZINC001246538826 804388921 /nfs/dbraw/zinc/38/89/21/804388921.db2.gz OFMFDEBGURHIQK-XIRDDKMYSA-N 1 3 258.409 3.272 20 0 CGADHO C[C@@H]1c2ccccc2CCN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246540512 804389434 /nfs/dbraw/zinc/38/94/34/804389434.db2.gz AZUKTULJJKYIGO-ZBFHGGJFSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246540512 804389440 /nfs/dbraw/zinc/38/94/40/804389440.db2.gz AZUKTULJJKYIGO-ZBFHGGJFSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246540512 804389448 /nfs/dbraw/zinc/38/94/48/804389448.db2.gz AZUKTULJJKYIGO-ZBFHGGJFSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@H]([NH3+])CC1 ZINC001246546463 804395793 /nfs/dbraw/zinc/39/57/93/804395793.db2.gz MZPSXEOILMFJID-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC001246547959 804397034 /nfs/dbraw/zinc/39/70/34/804397034.db2.gz DGYZZMREPWVBSO-BQFCYCMXSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC001246547959 804397042 /nfs/dbraw/zinc/39/70/42/804397042.db2.gz DGYZZMREPWVBSO-BQFCYCMXSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CN)[C@@H]2C)CC(C)(C)C1 ZINC001246563480 804411739 /nfs/dbraw/zinc/41/17/39/804411739.db2.gz KBUXLGPORBYMBQ-BARDWOONSA-N 1 3 252.446 3.260 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CN)[C@@H]2C)CC(C)(C)C1 ZINC001246563480 804411744 /nfs/dbraw/zinc/41/17/44/804411744.db2.gz KBUXLGPORBYMBQ-BARDWOONSA-N 1 3 252.446 3.260 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579958 804424743 /nfs/dbraw/zinc/42/47/43/804424743.db2.gz DOQCCFQSEZRVNQ-CRAIPNDOSA-N 1 3 274.452 3.241 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246579958 804424745 /nfs/dbraw/zinc/42/47/45/804424745.db2.gz DOQCCFQSEZRVNQ-CRAIPNDOSA-N 1 3 274.452 3.241 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586323 804430307 /nfs/dbraw/zinc/43/03/07/804430307.db2.gz TTWGCIWFWAGDOA-PBHICJAKSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586323 804430311 /nfs/dbraw/zinc/43/03/11/804430311.db2.gz TTWGCIWFWAGDOA-PBHICJAKSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1C[C@H](C[NH3+])CC[C@H]1C ZINC001246592392 804433007 /nfs/dbraw/zinc/43/30/07/804433007.db2.gz QLKHEVFAYSSLMK-RDBSUJKOSA-N 1 3 280.843 3.330 20 0 CGADHO CC(C)[N@H+]([C@@H]1CCC(C)(C)C1)[C@H]1CCCNCC1 ZINC001246597618 804437560 /nfs/dbraw/zinc/43/75/60/804437560.db2.gz XSAZPJHJVMBJQJ-LSDHHAIUSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@@H]1CCC(C)(C)C1)[C@H]1CCCNCC1 ZINC001246597618 804437562 /nfs/dbraw/zinc/43/75/62/804437562.db2.gz XSAZPJHJVMBJQJ-LSDHHAIUSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246613358 804446430 /nfs/dbraw/zinc/44/64/30/804446430.db2.gz YFLPTOAVGXQNPY-RBUKOAKNSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246613358 804446433 /nfs/dbraw/zinc/44/64/33/804446433.db2.gz YFLPTOAVGXQNPY-RBUKOAKNSA-N 1 3 284.447 3.070 20 0 CGADHO CCCCC[C@@H](CC)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246613256 804446652 /nfs/dbraw/zinc/44/66/52/804446652.db2.gz XUOUTZCDAVSBDB-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246613256 804446654 /nfs/dbraw/zinc/44/66/54/804446654.db2.gz XUOUTZCDAVSBDB-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246611621 804446802 /nfs/dbraw/zinc/44/68/02/804446802.db2.gz UTLNORJIRUKPJT-VQIMIIECSA-N 1 3 286.463 3.398 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246611621 804446807 /nfs/dbraw/zinc/44/68/07/804446807.db2.gz UTLNORJIRUKPJT-VQIMIIECSA-N 1 3 286.463 3.398 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246634749 804464581 /nfs/dbraw/zinc/46/45/81/804464581.db2.gz ORKKLTSVDLQBGP-YJBOKZPZSA-N 1 3 290.426 3.365 20 0 CGADHO CC1(C)C[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246641872 804469118 /nfs/dbraw/zinc/46/91/18/804469118.db2.gz AFNOOEOKKMPFTF-KRWDZBQOSA-N 1 3 298.474 3.497 20 0 CGADHO CCCCCC(CCCCC)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643733 804471041 /nfs/dbraw/zinc/47/10/41/804471041.db2.gz PTMKXPWQGQLBDX-SFHVURJKSA-N 1 3 295.515 3.153 20 0 CGADHO CCC(C)(C)C1CCC(N2CC3CC2(C[NH3+])C3)CC1 ZINC001246644387 804472253 /nfs/dbraw/zinc/47/22/53/804472253.db2.gz HFKWHDKIHXUNAI-UHFFFAOYSA-N 1 3 264.457 3.405 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC3(C=Cc4ccccc43)CC2)CCN1 ZINC001246646702 804474374 /nfs/dbraw/zinc/47/43/74/804474374.db2.gz HKUDXKUVBJJQKH-NVXWUHKLSA-N 1 3 282.431 3.188 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658789 804484257 /nfs/dbraw/zinc/48/42/57/804484257.db2.gz AOZUEHCJBNRLAL-TVFCKZIOSA-N 1 3 270.420 3.149 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1cccc2ccncc21 ZINC001140648904 804484644 /nfs/dbraw/zinc/48/46/44/804484644.db2.gz QVXLPDPZCFDOKN-UHFFFAOYSA-N 1 3 271.408 3.008 20 0 CGADHO C1C[C@H]2[C@@H](CCN2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246662489 804485257 /nfs/dbraw/zinc/48/52/57/804485257.db2.gz HPDCCPKOPMDTGP-OAGGEKHMSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@@H](CC[N@@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246662489 804485259 /nfs/dbraw/zinc/48/52/59/804485259.db2.gz HPDCCPKOPMDTGP-OAGGEKHMSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@H]2[C@@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246662489 804485261 /nfs/dbraw/zinc/48/52/61/804485261.db2.gz HPDCCPKOPMDTGP-OAGGEKHMSA-N 1 3 262.441 3.316 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@H+]([C@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670387 804489325 /nfs/dbraw/zinc/48/93/25/804489325.db2.gz BVTNIRARYJCVQV-LWASTNQWSA-N 1 3 296.458 3.038 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@@H+]([C@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670387 804489331 /nfs/dbraw/zinc/48/93/31/804489331.db2.gz BVTNIRARYJCVQV-LWASTNQWSA-N 1 3 296.458 3.038 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246675659 804490737 /nfs/dbraw/zinc/49/07/37/804490737.db2.gz QOWNTMSTFYYKJV-KSZLIROESA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246675659 804490740 /nfs/dbraw/zinc/49/07/40/804490740.db2.gz QOWNTMSTFYYKJV-KSZLIROESA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1CCCCC[N@@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246767934 804500631 /nfs/dbraw/zinc/50/06/31/804500631.db2.gz DJLISHBJDAFMMI-QLFBSQMISA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CCCCC[N@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246767934 804500636 /nfs/dbraw/zinc/50/06/36/804500636.db2.gz DJLISHBJDAFMMI-QLFBSQMISA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246771282 804505007 /nfs/dbraw/zinc/50/50/07/804505007.db2.gz XWIZBVUERVJOOD-DOTOQJQBSA-N 1 3 260.425 3.429 20 0 CGADHO CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246771282 804505010 /nfs/dbraw/zinc/50/50/10/804505010.db2.gz XWIZBVUERVJOOD-DOTOQJQBSA-N 1 3 260.425 3.429 20 0 CGADHO CCCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246771282 804505012 /nfs/dbraw/zinc/50/50/12/804505012.db2.gz XWIZBVUERVJOOD-DOTOQJQBSA-N 1 3 260.425 3.429 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246782478 804507635 /nfs/dbraw/zinc/50/76/35/804507635.db2.gz KPURGFAHIBKZTQ-ZIAGYGMSSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246780240 804508193 /nfs/dbraw/zinc/50/81/93/804508193.db2.gz BJQIQQUZMVKWQH-MSOLQXFVSA-N 1 3 286.463 3.254 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@@H]1C ZINC001246788068 804511075 /nfs/dbraw/zinc/51/10/75/804511075.db2.gz HCVWPLYSEUPBOM-KBUPBQIOSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)[C@@H]1C ZINC001246788068 804511082 /nfs/dbraw/zinc/51/10/82/804511082.db2.gz HCVWPLYSEUPBOM-KBUPBQIOSA-N 1 3 252.446 3.274 20 0 CGADHO CCC[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790806 804513912 /nfs/dbraw/zinc/51/39/12/804513912.db2.gz MZCCSWTXCITKCK-FZKCQIBNSA-N 1 3 250.430 3.314 20 0 CGADHO CCC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790806 804513916 /nfs/dbraw/zinc/51/39/16/804513916.db2.gz MZCCSWTXCITKCK-FZKCQIBNSA-N 1 3 250.430 3.314 20 0 CGADHO CN(CCc1cccs1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246796905 804519081 /nfs/dbraw/zinc/51/90/81/804519081.db2.gz NTNQZGKDDOWWTG-DZGCQCFKSA-N 1 3 280.481 3.389 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844450 804552766 /nfs/dbraw/zinc/55/27/66/804552766.db2.gz JGNYNFUCAGHIRH-RYQLBKOJSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844450 804552768 /nfs/dbraw/zinc/55/27/68/804552768.db2.gz JGNYNFUCAGHIRH-RYQLBKOJSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC001246847711 804558798 /nfs/dbraw/zinc/55/87/98/804558798.db2.gz LUYXEEMPUDIGMW-NUEKZKHPSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC001246847711 804558804 /nfs/dbraw/zinc/55/88/04/804558804.db2.gz LUYXEEMPUDIGMW-NUEKZKHPSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850238 804559629 /nfs/dbraw/zinc/55/96/29/804559629.db2.gz INUPMCRATMKHEO-XNRPHZJLSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850238 804559636 /nfs/dbraw/zinc/55/96/36/804559636.db2.gz INUPMCRATMKHEO-XNRPHZJLSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850238 804559639 /nfs/dbraw/zinc/55/96/39/804559639.db2.gz INUPMCRATMKHEO-XNRPHZJLSA-N 1 3 278.827 3.270 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854735 804563602 /nfs/dbraw/zinc/56/36/02/804563602.db2.gz RCWOOIYLLLTACP-KURKYZTESA-N 1 3 272.436 3.211 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870670 804571962 /nfs/dbraw/zinc/57/19/62/804571962.db2.gz YWPWSOCCBKIDGT-DSLXNQLJSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870670 804571965 /nfs/dbraw/zinc/57/19/65/804571965.db2.gz YWPWSOCCBKIDGT-DSLXNQLJSA-N 1 3 284.447 3.397 20 0 CGADHO CCCC1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1 ZINC001246869269 804572302 /nfs/dbraw/zinc/57/23/02/804572302.db2.gz VEWSSPCBWACTGT-PYBGIAKNSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC1CCC([N@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1 ZINC001246869269 804572304 /nfs/dbraw/zinc/57/23/04/804572304.db2.gz VEWSSPCBWACTGT-PYBGIAKNSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(C)C)CCN1 ZINC001246885884 804579970 /nfs/dbraw/zinc/57/99/70/804579970.db2.gz GIBGQWOGOTWYNZ-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)C)CCN1 ZINC001246885884 804579974 /nfs/dbraw/zinc/57/99/74/804579974.db2.gz GIBGQWOGOTWYNZ-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246891588 804583638 /nfs/dbraw/zinc/58/36/38/804583638.db2.gz CFLHLJIRAOEZKC-CAOSSQGBSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)N1CCC[C@@H]1C[NH3+] ZINC001246918093 804598140 /nfs/dbraw/zinc/59/81/40/804598140.db2.gz VBEHKBWRDHUSQP-UONOGXRCSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@H](Cc1ccco1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938531 804610746 /nfs/dbraw/zinc/61/07/46/804610746.db2.gz QCWKPRLRURCSPC-CVEARBPZSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@H](Cc1ccco1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246938531 804610749 /nfs/dbraw/zinc/61/07/49/804610749.db2.gz QCWKPRLRURCSPC-CVEARBPZSA-N 1 3 290.451 3.455 20 0 CGADHO C1CC2(C1)C[C@H]([N@@H+]1CCC3(C1)CCCCC3)CCN2 ZINC001246999080 804634220 /nfs/dbraw/zinc/63/42/20/804634220.db2.gz QIVJPROYKWBVIW-OAHLLOKOSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC2(C1)C[C@H]([N@H+]1CCC3(C1)CCCCC3)CCN2 ZINC001246999080 804634223 /nfs/dbraw/zinc/63/42/23/804634223.db2.gz QIVJPROYKWBVIW-OAHLLOKOSA-N 1 3 262.441 3.317 20 0 CGADHO Fc1cc(CC[NH+]2CCCC2)ccc1CN1CCCCC1 ZINC001250166374 805454812 /nfs/dbraw/zinc/45/48/12/805454812.db2.gz LQVJKAQRBTVNKN-UHFFFAOYSA-N 1 3 290.426 3.450 20 0 CGADHO CCC[C@H](CC)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001257265714 807079703 /nfs/dbraw/zinc/07/97/03/807079703.db2.gz ICVSWSVSOSJXHX-HNNXBMFYSA-N 1 3 282.472 3.140 20 0 CGADHO CCC[C@H](CC)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257265714 807079710 /nfs/dbraw/zinc/07/97/10/807079710.db2.gz ICVSWSVSOSJXHX-HNNXBMFYSA-N 1 3 282.472 3.140 20 0 CGADHO CCC(CC)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001257291384 807088885 /nfs/dbraw/zinc/08/88/85/807088885.db2.gz BJBZBOHNRRKIPU-UHFFFAOYSA-N 1 3 275.440 3.072 20 0 CGADHO CC[C@H](C)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001257446500 807160710 /nfs/dbraw/zinc/16/07/10/807160710.db2.gz NJOCWEWSDHBVCP-SZMVWBNQSA-N 1 3 272.436 3.239 20 0 CGADHO CC[C@H](C)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001257446500 807160714 /nfs/dbraw/zinc/16/07/14/807160714.db2.gz NJOCWEWSDHBVCP-SZMVWBNQSA-N 1 3 272.436 3.239 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001258010464 807265145 /nfs/dbraw/zinc/26/51/45/807265145.db2.gz BELMSHGWXUCZPZ-INIZCTEOSA-N 1 3 270.436 3.321 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001258010464 807265151 /nfs/dbraw/zinc/26/51/51/807265151.db2.gz BELMSHGWXUCZPZ-INIZCTEOSA-N 1 3 270.436 3.321 20 0 CGADHO CC(C)CN1CCC([NH+]2Cc3ccccc3C2)CC1 ZINC001258012150 807267224 /nfs/dbraw/zinc/26/72/24/807267224.db2.gz TZWNMXOHHLKEDV-UHFFFAOYSA-N 1 3 258.409 3.123 20 0 CGADHO FC1(F)CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167958450 807285765 /nfs/dbraw/zinc/28/57/65/807285765.db2.gz DZZOTRNDCXGTAO-AVOUXACISA-N 1 3 284.394 3.169 20 0 CGADHO FC1(F)CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958450 807285769 /nfs/dbraw/zinc/28/57/69/807285769.db2.gz DZZOTRNDCXGTAO-AVOUXACISA-N 1 3 284.394 3.169 20 0 CGADHO CCN(C)C1CC[NH+](C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001258170388 807338296 /nfs/dbraw/zinc/33/82/96/807338296.db2.gz KDTPHNGRUQYUAP-KBPBESRZSA-N 1 3 252.446 3.227 20 0 CGADHO C[NH+](C)C1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001168297986 807375263 /nfs/dbraw/zinc/37/52/63/807375263.db2.gz UAALSODOXFHPTR-UHFFFAOYSA-N 1 3 298.434 3.054 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1C1CCC([NH+](C)C)CC1 ZINC001168290650 807375374 /nfs/dbraw/zinc/37/53/74/807375374.db2.gz UWWPGQFLUCABGV-HSBZDZAISA-N 1 3 286.423 3.101 20 0 CGADHO COCCC1(N)CC[NH+]([C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001258691588 807546874 /nfs/dbraw/zinc/54/68/74/807546874.db2.gz GSZCIVKMXKZHNL-HUUCEWRRSA-N 1 3 282.472 3.031 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697509 807552100 /nfs/dbraw/zinc/55/21/00/807552100.db2.gz QUTFVZCAHJRCQE-XUWVNRHRSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697509 807552106 /nfs/dbraw/zinc/55/21/06/807552106.db2.gz QUTFVZCAHJRCQE-XUWVNRHRSA-N 1 3 264.457 3.085 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](C)CN ZINC001169062036 807563402 /nfs/dbraw/zinc/56/34/02/807563402.db2.gz QDHSMXPLDOPWQI-DOTOQJQBSA-N 1 3 262.441 3.170 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)CN ZINC001169062036 807563403 /nfs/dbraw/zinc/56/34/03/807563403.db2.gz QDHSMXPLDOPWQI-DOTOQJQBSA-N 1 3 262.441 3.170 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001169079805 807569770 /nfs/dbraw/zinc/56/97/70/807569770.db2.gz LQSBGQYWOBKYQB-QKDCVEJESA-N 1 3 264.800 3.055 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169101558 807579407 /nfs/dbraw/zinc/57/94/07/807579407.db2.gz UFIKJFKVXWAGGZ-XLMAVXFVSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101558 807579410 /nfs/dbraw/zinc/57/94/10/807579410.db2.gz UFIKJFKVXWAGGZ-XLMAVXFVSA-N 1 3 270.420 3.197 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001169118225 807583323 /nfs/dbraw/zinc/58/33/23/807583323.db2.gz FPDNTIOJRHGVKF-OSYLJGHBSA-N 1 3 297.402 3.056 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146118 807592287 /nfs/dbraw/zinc/59/22/87/807592287.db2.gz OSXSJOQZJYLDAV-OWLYRPNTSA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H](c3cccc(F)c3)C1)C2 ZINC001169146118 807592293 /nfs/dbraw/zinc/59/22/93/807592293.db2.gz OSXSJOQZJYLDAV-OWLYRPNTSA-N 1 3 288.410 3.240 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)C/C=C/c1ccccc1)C2 ZINC001169147044 807592975 /nfs/dbraw/zinc/59/29/75/807592975.db2.gz RTYJYMPOEBCIQY-AOMQQYKHSA-N 1 3 270.420 3.257 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C/C=C/c1ccccc1)C2 ZINC001169147044 807592976 /nfs/dbraw/zinc/59/29/76/807592976.db2.gz RTYJYMPOEBCIQY-AOMQQYKHSA-N 1 3 270.420 3.257 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152897 807594397 /nfs/dbraw/zinc/59/43/97/807594397.db2.gz GGWPAPUCQGDSNU-MLHJIOFPSA-N 1 3 285.435 3.152 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152897 807594401 /nfs/dbraw/zinc/59/44/01/807594401.db2.gz GGWPAPUCQGDSNU-MLHJIOFPSA-N 1 3 285.435 3.152 20 0 CGADHO CCCC[C@H](CCC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258765081 807601670 /nfs/dbraw/zinc/60/16/70/807601670.db2.gz AXNUWXAUMHLRFY-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2cccc(C)c2C)CC1 ZINC001169241543 807612200 /nfs/dbraw/zinc/61/22/00/807612200.db2.gz PNRBIQWBWNOLQI-OAHLLOKOSA-N 1 3 260.425 3.438 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258798801 807620130 /nfs/dbraw/zinc/62/01/30/807620130.db2.gz YWUIXFVJMXPIGK-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](CC)Cc3ccccc3)C[C@H]2C1 ZINC001258853057 807660882 /nfs/dbraw/zinc/66/08/82/807660882.db2.gz SQLARPSIHHZGFI-GUDVDZBRSA-N 1 3 286.463 3.281 20 0 CGADHO Cc1nc2ccc(NC(C)(C)CC[NH+](C)C)cc2[nH]1 ZINC001169718226 807697405 /nfs/dbraw/zinc/69/74/05/807697405.db2.gz PYZYDXXIEIBTAR-UHFFFAOYSA-N 1 3 260.385 3.014 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001170113442 807761763 /nfs/dbraw/zinc/76/17/63/807761763.db2.gz PEWMGOFMURINGS-HLLBOEOZSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001170113442 807761765 /nfs/dbraw/zinc/76/17/65/807761765.db2.gz PEWMGOFMURINGS-HLLBOEOZSA-N 1 3 260.425 3.272 20 0 CGADHO CO[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC001262202622 807837540 /nfs/dbraw/zinc/83/75/40/807837540.db2.gz YKTJJZDYRDIFGM-OWCLPIDISA-N 1 3 294.414 3.009 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073014 807978869 /nfs/dbraw/zinc/97/88/69/807978869.db2.gz OKOZDSCAUISHIC-JOYOIKCWSA-N 1 3 287.234 3.035 20 0 CGADHO CN1C(C)(C)CC([NH+]2CCC(F)CC2)CC1(C)C ZINC001171631733 808109282 /nfs/dbraw/zinc/10/92/82/808109282.db2.gz MNZIPJYXFFBSOY-UHFFFAOYSA-N 1 3 256.409 3.072 20 0 CGADHO CC1(C)CC([NH3+])CC(C)(C)N1[C@@H]1Cc2cccc(F)c2C1 ZINC001171775148 808135420 /nfs/dbraw/zinc/13/54/20/808135420.db2.gz IJKKTGQRWFZCNH-CQSZACIVSA-N 1 3 290.426 3.273 20 0 CGADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171775148 808135421 /nfs/dbraw/zinc/13/54/21/808135421.db2.gz IJKKTGQRWFZCNH-CQSZACIVSA-N 1 3 290.426 3.273 20 0 CGADHO CCOCCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962462 808160151 /nfs/dbraw/zinc/16/01/51/808160151.db2.gz DJOAGTSVAFULPY-KRWDZBQOSA-N 1 3 290.451 3.056 20 0 CGADHO CCOCCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962462 808160153 /nfs/dbraw/zinc/16/01/53/808160153.db2.gz DJOAGTSVAFULPY-KRWDZBQOSA-N 1 3 290.451 3.056 20 0 CGADHO Cc1ccnc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172102421 808173845 /nfs/dbraw/zinc/17/38/45/808173845.db2.gz MSBCXMGMYWHSPB-LVQVYYBASA-N 1 3 273.424 3.056 20 0 CGADHO CN(Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114322 808181759 /nfs/dbraw/zinc/18/17/59/808181759.db2.gz QIIFYUIAVHFRRN-BJWYYQGGSA-N 1 3 276.399 3.273 20 0 CGADHO CN(Cc1ccc(F)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114322 808181762 /nfs/dbraw/zinc/18/17/62/808181762.db2.gz QIIFYUIAVHFRRN-BJWYYQGGSA-N 1 3 276.399 3.273 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123550 808187101 /nfs/dbraw/zinc/18/71/01/808187101.db2.gz DZOXSXHFRMRVHE-ZSHCYNCHSA-N 1 3 288.410 3.199 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3c(F)cccc3C1)C2 ZINC001172123550 808187103 /nfs/dbraw/zinc/18/71/03/808187103.db2.gz DZOXSXHFRMRVHE-ZSHCYNCHSA-N 1 3 288.410 3.199 20 0 CGADHO CC(C)COCC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172462056 808332055 /nfs/dbraw/zinc/33/20/55/808332055.db2.gz LVWSIBGWVNZWTL-AWEZNQCLSA-N 1 3 284.488 3.418 20 0 CGADHO CC(C)COCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172462263 808332805 /nfs/dbraw/zinc/33/28/05/808332805.db2.gz NYQPOKDVCWQZES-SJORKVTESA-N 1 3 284.488 3.292 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172925537 808483472 /nfs/dbraw/zinc/48/34/72/808483472.db2.gz FXWMCYTVOCHGOI-NVXWUHKLSA-N 1 3 282.472 3.187 20 0 CGADHO CC[NH+](CC)C1CCC(NCc2ncc(C)s2)CC1 ZINC001173107781 808511796 /nfs/dbraw/zinc/51/17/96/808511796.db2.gz MRGNAYPKFHBEDZ-UHFFFAOYSA-N 1 3 281.469 3.194 20 0 CGADHO CCc1ccc(C[C@H](C)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001173242306 808551006 /nfs/dbraw/zinc/55/10/06/808551006.db2.gz BYMNVTOBCWOVRF-KFKAGJAMSA-N 1 3 286.463 3.064 20 0 CGADHO CC[C@H]1CC[C@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173281623 808583107 /nfs/dbraw/zinc/58/31/07/808583107.db2.gz AKFNGFNYMQFLEF-HOTGVXAUSA-N 1 3 273.424 3.091 20 0 CGADHO Cc1cc(F)cc(CN2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001274998561 808897945 /nfs/dbraw/zinc/89/79/45/808897945.db2.gz AHOBLYXCEIVUEH-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cc(F)cc(CN2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001274998561 808897952 /nfs/dbraw/zinc/89/79/52/808897952.db2.gz AHOBLYXCEIVUEH-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4c(c3)CCC4)(C1)CCC2 ZINC001275199364 808921480 /nfs/dbraw/zinc/92/14/80/808921480.db2.gz JUPTWRNEQRYNEN-RBUKOAKNSA-N 1 3 284.447 3.330 20 0 CGADHO Cc1cc(O)cc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1 ZINC001275593755 808951855 /nfs/dbraw/zinc/95/18/55/808951855.db2.gz GPMBAZOYSDENEA-GOSISDBHSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1cc(O)cc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)c1 ZINC001275593755 808951861 /nfs/dbraw/zinc/95/18/61/808951861.db2.gz GPMBAZOYSDENEA-GOSISDBHSA-N 1 3 288.435 3.008 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4ncccc34)(C1)CCC2 ZINC001276286911 808999448 /nfs/dbraw/zinc/99/94/48/808999448.db2.gz GBFNCNCWWFCBCI-RBUKOAKNSA-N 1 3 295.430 3.389 20 0 CGADHO C[C@@H](c1nccc2ccccc21)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC001180794420 810022156 /nfs/dbraw/zinc/02/21/56/810022156.db2.gz OLZHIITWIIYVNB-GJZGRUSLSA-N 1 3 283.419 3.179 20 0 CGADHO C[C@@H](c1nccc2ccccc21)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC001180794420 810022161 /nfs/dbraw/zinc/02/21/61/810022161.db2.gz OLZHIITWIIYVNB-GJZGRUSLSA-N 1 3 283.419 3.179 20 0 CGADHO CSC(C)(C)CCN(C)CC(C)(C)C[NH+](C)C ZINC001184198398 810182092 /nfs/dbraw/zinc/18/20/92/810182092.db2.gz XBDVMVLKKJEJJT-UHFFFAOYSA-N 1 3 260.491 3.038 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)[C@@H]2C1 ZINC001184389588 810197822 /nfs/dbraw/zinc/19/78/22/810197822.db2.gz YLEPPIMBDSOGNZ-OMZCGLGVSA-N 1 3 298.474 3.328 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC001184418663 810198394 /nfs/dbraw/zinc/19/83/94/810198394.db2.gz STGXHJJUSIYRIS-KGLIPLIRSA-N 1 3 272.502 3.228 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001195213827 811226772 /nfs/dbraw/zinc/22/67/72/811226772.db2.gz JGFQTROBSOHSRW-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001195213827 811226779 /nfs/dbraw/zinc/22/67/79/811226779.db2.gz JGFQTROBSOHSRW-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@@H](CC(C)(C)C)C1 ZINC001195213827 811226783 /nfs/dbraw/zinc/22/67/83/811226783.db2.gz JGFQTROBSOHSRW-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CC(C)[N@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001204604188 812687237 /nfs/dbraw/zinc/68/72/37/812687237.db2.gz DTMXRRJRPYYSJE-UHFFFAOYSA-N 1 3 283.419 3.002 20 0 CGADHO CC(C)[N@@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001204604188 812687240 /nfs/dbraw/zinc/68/72/40/812687240.db2.gz DTMXRRJRPYYSJE-UHFFFAOYSA-N 1 3 283.419 3.002 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204904569 812770499 /nfs/dbraw/zinc/77/04/99/812770499.db2.gz SUMMWIIYPCVICA-OAHLLOKOSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204904569 812770505 /nfs/dbraw/zinc/77/05/05/812770505.db2.gz SUMMWIIYPCVICA-OAHLLOKOSA-N 1 3 272.417 3.133 20 0 CGADHO CC(C)(C)Oc1ccccc1CN1CCC(C[NH3+])CC1 ZINC001205053438 812840556 /nfs/dbraw/zinc/84/05/56/812840556.db2.gz NABFXZNFHADWKN-UHFFFAOYSA-N 1 3 276.424 3.035 20 0 CGADHO CSc1cccc(Cl)c1CN1CCC(C[NH3+])CC1 ZINC001205053551 812841238 /nfs/dbraw/zinc/84/12/38/812841238.db2.gz OXEUUPSMZGUWOI-UHFFFAOYSA-N 1 3 284.856 3.233 20 0 CGADHO CCCCc1ccc(CN2CCC[C@@H]([NH3+])CC2)s1 ZINC001205101299 812865940 /nfs/dbraw/zinc/86/59/40/812865940.db2.gz CYHGPUGSHLCDRT-CYBMUJFWSA-N 1 3 266.454 3.404 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC001205124416 812878016 /nfs/dbraw/zinc/87/80/16/812878016.db2.gz QVEHANDDSQYCKO-KRWDZBQOSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@H]1CN(Cc2ccc(F)c3ccccc23)C[C@H]1C[NH3+] ZINC001205140183 812884912 /nfs/dbraw/zinc/88/49/12/812884912.db2.gz BPAABUCSVLLMBH-GXTWGEPZSA-N 1 3 272.367 3.006 20 0 CGADHO Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205156031 812890448 /nfs/dbraw/zinc/89/04/48/812890448.db2.gz MHPOKNPJIXMPSV-MAUKXSAKSA-N 1 3 295.430 3.084 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205295611 812936453 /nfs/dbraw/zinc/93/64/53/812936453.db2.gz AMEMDKGXJJDOOV-SFHVURJKSA-N 1 3 290.451 3.486 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296837 812937994 /nfs/dbraw/zinc/93/79/94/812937994.db2.gz UPCYYJUODQALRN-VWNJHIHFSA-N 1 3 292.854 3.360 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296837 812937999 /nfs/dbraw/zinc/93/79/99/812937999.db2.gz UPCYYJUODQALRN-VWNJHIHFSA-N 1 3 292.854 3.360 20 0 CGADHO C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1CN ZINC001205296334 812938101 /nfs/dbraw/zinc/93/81/01/812938101.db2.gz MOUUCOKCASQTGO-UKRRQHHQSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1CN ZINC001205296334 812938106 /nfs/dbraw/zinc/93/81/06/812938106.db2.gz MOUUCOKCASQTGO-UKRRQHHQSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CCN(CCCc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205296334 812938110 /nfs/dbraw/zinc/93/81/10/812938110.db2.gz MOUUCOKCASQTGO-UKRRQHHQSA-N 1 3 280.843 3.189 20 0 CGADHO CCCCc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205304318 812941705 /nfs/dbraw/zinc/94/17/05/812941705.db2.gz NSOLHRHVJWFZSR-QAPCUYQASA-N 1 3 274.452 3.446 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)CC[C@@H]1C[NH3+] ZINC001205618511 813028587 /nfs/dbraw/zinc/02/85/87/813028587.db2.gz WSESOFOKIHAQCF-DGCLKSJQSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C(F)(F)F)cc1 ZINC001205901618 813122838 /nfs/dbraw/zinc/12/28/38/813122838.db2.gz DROJKBBJZBKPRD-WCQYABFASA-N 1 3 286.341 3.265 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205912789 813129417 /nfs/dbraw/zinc/12/94/17/813129417.db2.gz CKDOEWZGABAHER-UONOGXRCSA-N 1 3 264.388 3.002 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1F ZINC001205991308 813154004 /nfs/dbraw/zinc/15/40/04/813154004.db2.gz ABVRSJRDKCJNBW-STQMWFEESA-N 1 3 282.378 3.080 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC001205996343 813157893 /nfs/dbraw/zinc/15/78/93/813157893.db2.gz WHRWMKBWGLVVNB-CHWSQXEVSA-N 1 3 282.378 3.080 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC001205996346 813158593 /nfs/dbraw/zinc/15/85/93/813158593.db2.gz WHRWMKBWGLVVNB-STQMWFEESA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1CN(Cc2ccsc2Cl)CCC[C@H]1C[NH3+] ZINC001206011138 813163647 /nfs/dbraw/zinc/16/36/47/813163647.db2.gz AFAZXBDAFALCRL-QWRGUYRKSA-N 1 3 272.845 3.208 20 0 CGADHO C[C@H]1C[NH2+]CCCN1CCCCCc1ccccc1 ZINC001206258425 813259703 /nfs/dbraw/zinc/25/97/03/813259703.db2.gz YQGZMFZNHZITRX-INIZCTEOSA-N 1 3 260.425 3.083 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001206293261 813274705 /nfs/dbraw/zinc/27/47/05/813274705.db2.gz GXXRFNXULOGQOM-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO Cc1cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)ccc1F ZINC001206580107 813362437 /nfs/dbraw/zinc/36/24/37/813362437.db2.gz CHASNXUHDXVTTM-INIZCTEOSA-N 1 3 278.415 3.487 20 0 CGADHO COc1ccc2oc(CN3CCCC[C@H](C[NH3+])C3)cc2c1 ZINC001206615094 813376243 /nfs/dbraw/zinc/37/62/43/813376243.db2.gz BXQVPHHAFKVCRB-CYBMUJFWSA-N 1 3 288.391 3.002 20 0 CGADHO CN(C)C1CC[NH+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207178592 813507102 /nfs/dbraw/zinc/50/71/02/813507102.db2.gz WXQFQVNXADLTBQ-PBHICJAKSA-N 1 3 292.854 3.470 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001207282017 813534639 /nfs/dbraw/zinc/53/46/39/813534639.db2.gz CCSMLOJQTJMBLX-OAHLLOKOSA-N 1 3 278.415 3.203 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001207282017 813534644 /nfs/dbraw/zinc/53/46/44/813534644.db2.gz CCSMLOJQTJMBLX-OAHLLOKOSA-N 1 3 278.415 3.203 20 0 CGADHO CC[C@H]1CO[C@@](C)(CCC(C)C)N1CC1CC[NH2+]CC1 ZINC001207439638 813565899 /nfs/dbraw/zinc/56/58/99/813565899.db2.gz WQBGHEQJWXFYFD-IRXDYDNUSA-N 1 3 282.472 3.249 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001207522240 813585752 /nfs/dbraw/zinc/58/57/52/813585752.db2.gz CBPJYPCCQMYWEN-MOPGFXCFSA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001207522240 813585758 /nfs/dbraw/zinc/58/57/58/813585758.db2.gz CBPJYPCCQMYWEN-MOPGFXCFSA-N 1 3 286.463 3.379 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001207837390 813657994 /nfs/dbraw/zinc/65/79/94/813657994.db2.gz PLSBYZWGOMDHNU-XLNGHYISSA-N 1 3 264.457 3.275 20 0 CGADHO CC/C=C\CCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001208136983 813703250 /nfs/dbraw/zinc/70/32/50/813703250.db2.gz DFOMLARQOAOIRF-ILNYKDOHSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001208136983 813703254 /nfs/dbraw/zinc/70/32/54/813703254.db2.gz DFOMLARQOAOIRF-ILNYKDOHSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@H]1CC(CN2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC001209380555 814006569 /nfs/dbraw/zinc/00/65/69/814006569.db2.gz XUDIATGZEMSCPJ-HOTGVXAUSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H]1CC(C[NH+]2CCC(N3CCCCC3)CC2)C[C@H](C)O1 ZINC001209380555 814006570 /nfs/dbraw/zinc/00/65/70/814006570.db2.gz XUDIATGZEMSCPJ-HOTGVXAUSA-N 1 3 294.483 3.140 20 0 CGADHO c1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222147890 816360383 /nfs/dbraw/zinc/36/03/83/816360383.db2.gz DPEAABMTOJAKBD-LJQANCHMSA-N 1 3 284.447 3.141 20 0 CGADHO Cc1cc(CN2CCC[C@]23CCC[NH2+]CC3)ccc1F ZINC001222309249 816403722 /nfs/dbraw/zinc/40/37/22/816403722.db2.gz OYNVXHAOJKMIFY-KRWDZBQOSA-N 1 3 276.399 3.242 20 0 CGADHO Fc1ccc(CCN2CCC[C@]23CCC[NH2+]CC3)cc1F ZINC001222310856 816405093 /nfs/dbraw/zinc/40/50/93/816405093.db2.gz WTNNDAXTFYTDQV-KRWDZBQOSA-N 1 3 294.389 3.115 20 0 CGADHO Cc1cc(F)cc(CN2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222315407 816406279 /nfs/dbraw/zinc/40/62/79/816406279.db2.gz NFGUOLFYOCZLNH-QGZVFWFLSA-N 1 3 276.399 3.242 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@H]2CNCC[C@H]21)CC(C)(C)C ZINC001222615996 816478794 /nfs/dbraw/zinc/47/87/94/816478794.db2.gz VDJDYSGKBAFVSP-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@H]2CNCC[C@H]21)CC(C)(C)C ZINC001222615996 816478795 /nfs/dbraw/zinc/47/87/95/816478795.db2.gz VDJDYSGKBAFVSP-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CC2CC1(CN)C2 ZINC001235006750 818975760 /nfs/dbraw/zinc/97/57/60/818975760.db2.gz ICQROILXHNXGGJ-UHFFFAOYSA-N 1 3 297.446 3.389 20 0 CGADHO CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CC2CC1(CN)C2 ZINC001235006750 818975763 /nfs/dbraw/zinc/97/57/63/818975763.db2.gz ICQROILXHNXGGJ-UHFFFAOYSA-N 1 3 297.446 3.389 20 0 CGADHO Cc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235031661 818985151 /nfs/dbraw/zinc/98/51/51/818985151.db2.gz NFHCRMJISBWJFS-LJQANCHMSA-N 1 3 280.415 3.334 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235043762 818990669 /nfs/dbraw/zinc/99/06/69/818990669.db2.gz HDSSQQWYELXMRG-GOSISDBHSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1c(CN2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cccc1-c1ccccc1 ZINC001235211610 819037380 /nfs/dbraw/zinc/03/73/80/819037380.db2.gz YTKRFXVKQNUWJO-BWTSREIZSA-N 1 3 278.399 3.051 20 0 CGADHO COc1ccsc1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235229611 819041686 /nfs/dbraw/zinc/04/16/86/819041686.db2.gz RIFSVZWEHFXVHV-AWEZNQCLSA-N 1 3 294.464 3.111 20 0 CGADHO CC(C)(C)c1[nH]c2ccccc2c1CN1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235255239 819051669 /nfs/dbraw/zinc/05/16/69/819051669.db2.gz LYGXCVSPZGHGQP-XEZPLFJOSA-N 1 3 297.446 3.387 20 0 CGADHO Cc1ccc(CN2CCC(C3C[NH2+]C3)CC2)c(Cl)c1 ZINC001235335429 819071028 /nfs/dbraw/zinc/07/10/28/819071028.db2.gz NPCRIOIGCUNRJT-UHFFFAOYSA-N 1 3 278.827 3.080 20 0 CGADHO CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360795 819077820 /nfs/dbraw/zinc/07/78/20/819077820.db2.gz BYMNXEWGIZOIJV-MOPGFXCFSA-N 1 3 286.463 3.430 20 0 CGADHO CCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235360795 819077824 /nfs/dbraw/zinc/07/78/24/819077824.db2.gz BYMNXEWGIZOIJV-MOPGFXCFSA-N 1 3 286.463 3.430 20 0 CGADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363755 819079247 /nfs/dbraw/zinc/07/92/47/819079247.db2.gz UBJRMWZGYCUZCO-QXAKKESOSA-N 1 3 286.463 3.286 20 0 CGADHO CC[C@H](C)C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363755 819079250 /nfs/dbraw/zinc/07/92/50/819079250.db2.gz UBJRMWZGYCUZCO-QXAKKESOSA-N 1 3 286.463 3.286 20 0 CGADHO CCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363561 819079680 /nfs/dbraw/zinc/07/96/80/819079680.db2.gz RPBVLORGQFYWIX-ZWKOTPCHSA-N 1 3 272.436 3.040 20 0 CGADHO CCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363561 819079684 /nfs/dbraw/zinc/07/96/84/819079684.db2.gz RPBVLORGQFYWIX-ZWKOTPCHSA-N 1 3 272.436 3.040 20 0 CGADHO COC[C@@]12CCC[C@@H]1CN(CCC[NH2+]C1CCCCC1)C2 ZINC001235568904 819120808 /nfs/dbraw/zinc/12/08/08/819120808.db2.gz IUGSMNKUYAMQMN-AEFFLSMTSA-N 1 3 294.483 3.047 20 0 CGADHO C[N@H+](CC[C@@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC001235689133 819141562 /nfs/dbraw/zinc/14/15/62/819141562.db2.gz AKRWGSIDBBCXTO-LESVLKBLSA-N 1 3 276.468 3.419 20 0 CGADHO C[N@@H+](CC[C@@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC001235689133 819141565 /nfs/dbraw/zinc/14/15/65/819141565.db2.gz AKRWGSIDBBCXTO-LESVLKBLSA-N 1 3 276.468 3.419 20 0 CGADHO CC[C@H](N)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918722 819220288 /nfs/dbraw/zinc/22/02/88/819220288.db2.gz JPTSVKLZTXRSCC-OCCSQVGLSA-N 1 3 286.341 3.232 20 0 CGADHO CC[C@H](N)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918722 819220292 /nfs/dbraw/zinc/22/02/92/819220292.db2.gz JPTSVKLZTXRSCC-OCCSQVGLSA-N 1 3 286.341 3.232 20 0 CGADHO CCC(C)(C)c1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235941227 819234472 /nfs/dbraw/zinc/23/44/72/819234472.db2.gz VCCWAHMXAMUBDN-SJORKVTESA-N 1 3 286.463 3.416 20 0 CGADHO CN(CCC(C)(C)c1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235952554 819242619 /nfs/dbraw/zinc/24/26/19/819242619.db2.gz ZJOGEBWJCKFQEM-INIZCTEOSA-N 1 3 274.452 3.286 20 0 CGADHO C[N@H+](CCC(C)(C)c1ccccc1)C[C@H]1CCCNC1 ZINC001235952554 819242623 /nfs/dbraw/zinc/24/26/23/819242623.db2.gz ZJOGEBWJCKFQEM-INIZCTEOSA-N 1 3 274.452 3.286 20 0 CGADHO C[N@@H+](CCC(C)(C)c1ccccc1)C[C@H]1CCCNC1 ZINC001235952554 819242628 /nfs/dbraw/zinc/24/26/28/819242628.db2.gz ZJOGEBWJCKFQEM-INIZCTEOSA-N 1 3 274.452 3.286 20 0 CGADHO Nc1cc[nH+]cc1-c1cccc(CN2CCCCC2)c1F ZINC001236010589 819274275 /nfs/dbraw/zinc/27/42/75/819274275.db2.gz BLEDNGHWRDTFLX-UHFFFAOYSA-N 1 3 285.366 3.286 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCCN1 ZINC001236101079 819317941 /nfs/dbraw/zinc/31/79/41/819317941.db2.gz TURATYIDOREYCZ-HNNXBMFYSA-N 1 3 296.414 3.243 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)CCCN1 ZINC001236101079 819317948 /nfs/dbraw/zinc/31/79/48/819317948.db2.gz TURATYIDOREYCZ-HNNXBMFYSA-N 1 3 296.414 3.243 20 0 CGADHO C[NH+](C)CCCn1cc(-c2ccc(C3=NCCC3)cc2)cn1 ZINC001236149710 819346351 /nfs/dbraw/zinc/34/63/51/819346351.db2.gz WCKZCYKAJGITCY-UHFFFAOYSA-N 1 3 296.418 3.085 20 0 CGADHO CCC[N@H+](Cc1c(C)cc(OC)cc1C)C1CCNCC1 ZINC001236183173 819359084 /nfs/dbraw/zinc/35/90/84/819359084.db2.gz WLQGAANGKZJQEL-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCC[N@@H+](Cc1c(C)cc(OC)cc1C)C1CCNCC1 ZINC001236183173 819359094 /nfs/dbraw/zinc/35/90/94/819359094.db2.gz WLQGAANGKZJQEL-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCCN(Cc1c(C)cc(OC)cc1C)C1CC[NH2+]CC1 ZINC001236183173 819359101 /nfs/dbraw/zinc/35/91/01/819359101.db2.gz WLQGAANGKZJQEL-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CC(C)c1ccc(C[C@H](C)CN2CCC[C@@H]2C[NH3+])cc1 ZINC001236244269 819402369 /nfs/dbraw/zinc/40/23/69/819402369.db2.gz JLFBEGFEQZVJLE-MAUKXSAKSA-N 1 3 274.452 3.412 20 0 CGADHO CCN(Cc1ccc(OC)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236409186 819456172 /nfs/dbraw/zinc/45/61/72/819456172.db2.gz YJJROKNABKJPBZ-HNNXBMFYSA-N 1 3 298.430 3.280 20 0 CGADHO CC(C)(C)C[N@H+](CCc1cccs1)C1CCNCC1 ZINC001236456239 819485182 /nfs/dbraw/zinc/48/51/82/819485182.db2.gz AIINVOQXPYMXHZ-UHFFFAOYSA-N 1 3 280.481 3.391 20 0 CGADHO CC(C)(C)C[N@@H+](CCc1cccs1)C1CCNCC1 ZINC001236456239 819485184 /nfs/dbraw/zinc/48/51/84/819485184.db2.gz AIINVOQXPYMXHZ-UHFFFAOYSA-N 1 3 280.481 3.391 20 0 CGADHO CC(C)(C)C[N@H+](Cc1cccc(F)c1N)C1CCNCC1 ZINC001236459415 819486242 /nfs/dbraw/zinc/48/62/42/819486242.db2.gz NIGSLJHLVPXQIH-UHFFFAOYSA-N 1 3 293.430 3.008 20 0 CGADHO CC(C)(C)C[N@@H+](Cc1cccc(F)c1N)C1CCNCC1 ZINC001236459415 819486244 /nfs/dbraw/zinc/48/62/44/819486244.db2.gz NIGSLJHLVPXQIH-UHFFFAOYSA-N 1 3 293.430 3.008 20 0 CGADHO COc1ccc2cc(CN3CCC[C@](C)(C[NH3+])C3)ccc2c1 ZINC001237060252 819656882 /nfs/dbraw/zinc/65/68/82/819656882.db2.gz YWCIZXUHCZKHEG-LJQANCHMSA-N 1 3 298.430 3.409 20 0 CGADHO CCN(CC)Cc1cccc(C=C2CC[NH2+]CC2)c1F ZINC001240879287 821388059 /nfs/dbraw/zinc/38/80/59/821388059.db2.gz NVVPXZXOZDNKTF-UHFFFAOYSA-N 1 3 276.399 3.434 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852403 936936991 /nfs/dbraw/zinc/93/69/91/936936991.db2.gz LNXXWFCUMAVPRU-ZIAGYGMSSA-N 1 3 268.351 3.374 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2cccc3cccnc32)CC1 ZINC000073449195 928250718 /nfs/dbraw/zinc/25/07/18/928250718.db2.gz JIIMTLINNUQIDV-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO Cc1csc(CCCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC001327838897 928714247 /nfs/dbraw/zinc/71/42/47/928714247.db2.gz IRQBAHHOXDIVEY-ZFWWWQNUSA-N 1 3 295.496 3.285 20 0 CGADHO CC[C@H](C)[C@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001460304577 937525873 /nfs/dbraw/zinc/52/58/73/937525873.db2.gz LQXMJWPXPWSAFQ-GJZGRUSLSA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@H](C)[C@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC001460304577 937525874 /nfs/dbraw/zinc/52/58/74/937525874.db2.gz LQXMJWPXPWSAFQ-GJZGRUSLSA-N 1 3 261.413 3.028 20 0 CGADHO CCOc1ccc(CC[N@H+](C)CC[C@H]2CCCN2C)cc1 ZINC001460919359 937553502 /nfs/dbraw/zinc/55/35/02/937553502.db2.gz RYGPHHZZGLXSPF-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO CCOc1ccc(CC[N@@H+](C)CC[C@H]2CCCN2C)cc1 ZINC001460919359 937553505 /nfs/dbraw/zinc/55/35/05/937553505.db2.gz RYGPHHZZGLXSPF-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC001461002642 937559268 /nfs/dbraw/zinc/55/92/68/937559268.db2.gz ZXZSGKXPQUGZFQ-WAYWQWQTSA-N 1 3 282.378 3.155 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC001461257345 937572886 /nfs/dbraw/zinc/57/28/86/937572886.db2.gz PIHDKNWBICMYQX-SLLSNFPASA-N 1 3 276.399 3.301 20 0 CGADHO Cc1cccc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001461590233 937587844 /nfs/dbraw/zinc/58/78/44/937587844.db2.gz NFSQTLIOCYRUSG-UXHICEINSA-N 1 3 294.442 3.430 20 0 CGADHO Cc1cccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001461590233 937587846 /nfs/dbraw/zinc/58/78/46/937587846.db2.gz NFSQTLIOCYRUSG-UXHICEINSA-N 1 3 294.442 3.430 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461919773 937606274 /nfs/dbraw/zinc/60/62/74/937606274.db2.gz NZKDAMWRDLVSED-GOSISDBHSA-N 1 3 274.452 3.120 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461919773 937606276 /nfs/dbraw/zinc/60/62/76/937606276.db2.gz NZKDAMWRDLVSED-GOSISDBHSA-N 1 3 274.452 3.120 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001462199346 937624846 /nfs/dbraw/zinc/62/48/46/937624846.db2.gz HLQPZDPHFNENJV-WBMJQRKESA-N 1 3 280.843 3.420 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001462199346 937624849 /nfs/dbraw/zinc/62/48/49/937624849.db2.gz HLQPZDPHFNENJV-WBMJQRKESA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(C)cc(CC[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC001462435762 937641437 /nfs/dbraw/zinc/64/14/37/937641437.db2.gz IQNNJVDULQOVLJ-GOSISDBHSA-N 1 3 274.452 3.167 20 0 CGADHO CCC[C@@H](C)CCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC001307515313 932965536 /nfs/dbraw/zinc/96/55/36/932965536.db2.gz ZYOLMFZIFQIDPI-CVEARBPZSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@@H](C)CCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC001307515313 932965544 /nfs/dbraw/zinc/96/55/44/932965544.db2.gz ZYOLMFZIFQIDPI-CVEARBPZSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@@H](C)CCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC001307515313 932965550 /nfs/dbraw/zinc/96/55/50/932965550.db2.gz ZYOLMFZIFQIDPI-CVEARBPZSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@@H](C)CCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001307515313 932965555 /nfs/dbraw/zinc/96/55/55/932965555.db2.gz ZYOLMFZIFQIDPI-CVEARBPZSA-N 1 3 254.462 3.476 20 0 CGADHO Cc1ccc(CCN2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC001308690080 933158645 /nfs/dbraw/zinc/15/86/45/933158645.db2.gz ZXHHGIQUYYRHID-GOSISDBHSA-N 1 3 274.452 3.262 20 0 CGADHO Cc1ccc(CC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1C ZINC001308690080 933158650 /nfs/dbraw/zinc/15/86/50/933158650.db2.gz ZXHHGIQUYYRHID-GOSISDBHSA-N 1 3 274.452 3.262 20 0 CGADHO Cc1ccc(CC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1C ZINC001308690080 933158655 /nfs/dbraw/zinc/15/86/55/933158655.db2.gz ZXHHGIQUYYRHID-GOSISDBHSA-N 1 3 274.452 3.262 20 0 CGADHO CC(C)(C)[N@@H+]1CC[C@H](NCCc2ccc(F)cc2Cl)C1 ZINC001308856911 933191603 /nfs/dbraw/zinc/19/16/03/933191603.db2.gz DDHCJSJNWLWLBN-AWEZNQCLSA-N 1 3 298.833 3.484 20 0 CGADHO CC(C)(C)[N@H+]1CC[C@H](NCCc2ccc(F)cc2Cl)C1 ZINC001308856911 933191605 /nfs/dbraw/zinc/19/16/05/933191605.db2.gz DDHCJSJNWLWLBN-AWEZNQCLSA-N 1 3 298.833 3.484 20 0 CGADHO C(CN1CCCCC1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001320834900 934110831 /nfs/dbraw/zinc/11/08/31/934110831.db2.gz XBNJRFIVKXHMBY-DLBZAZTESA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CCCCC1)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001320834900 934110835 /nfs/dbraw/zinc/11/08/35/934110835.db2.gz XBNJRFIVKXHMBY-DLBZAZTESA-N 1 3 264.457 3.375 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001323960251 934442450 /nfs/dbraw/zinc/44/24/50/934442450.db2.gz OVRJFHUXHFXDBC-KGLIPLIRSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001323960251 934442455 /nfs/dbraw/zinc/44/24/55/934442455.db2.gz OVRJFHUXHFXDBC-KGLIPLIRSA-N 1 3 281.403 3.002 20 0 CGADHO C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)[C@H]1C[C@H]1C1CCC1 ZINC001550474538 938166797 /nfs/dbraw/zinc/16/67/97/938166797.db2.gz YHPPTLKQKJFMEV-XDNAFOTISA-N 1 3 276.468 3.181 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238075 938178313 /nfs/dbraw/zinc/17/83/13/938178313.db2.gz ILXAXPBGSWKLJG-PBHCIXSXSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+][C@H]1C[C@H](NC2CC(c3ccc(Cl)cc3)C2)C12CCC2 ZINC001553026903 938196015 /nfs/dbraw/zinc/19/60/15/938196015.db2.gz ZYHLGYDHCVPUMM-UAOKOLBASA-N 1 3 290.838 3.446 20 0 CGADHO Cc1ccc(C)c(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001560155157 938245145 /nfs/dbraw/zinc/24/51/45/938245145.db2.gz CPTIAUYFJVIPOO-QGZVFWFLSA-N 1 3 295.430 3.409 20 0 CGADHO CO[C@@H](CNCC[C@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC001560750962 938274034 /nfs/dbraw/zinc/27/40/34/938274034.db2.gz MRJIEEXZQVEWIS-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@@H](C[NH2+]CC[C@H](C)N1CCCCC1)C1CCCC1 ZINC001560750962 938274036 /nfs/dbraw/zinc/27/40/36/938274036.db2.gz MRJIEEXZQVEWIS-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CC[NH2+]C1CC(Sc2ccccc2)C1)N(C)C ZINC001560951277 938286157 /nfs/dbraw/zinc/28/61/57/938286157.db2.gz CEUGURCANMPQCW-VQCLRJIVSA-N 1 3 278.465 3.240 20 0 CGADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC001257205174 960426969 /nfs/dbraw/zinc/42/69/69/960426969.db2.gz HZEHODHSOPZSQE-WMLDXEAASA-N 1 3 294.389 3.283 20 0 CGADHO CCC[NH+]1CCC(N(C)CCc2cccc(OC)c2)CC1 ZINC001258775334 960428631 /nfs/dbraw/zinc/42/86/31/960428631.db2.gz KVHMKBUPEHCROP-UHFFFAOYSA-N 1 3 290.451 3.044 20 0 CGADHO CCC(CC)(C[NH3+])CN(C)CCOc1ccccc1C ZINC001577051477 960474259 /nfs/dbraw/zinc/47/42/59/960474259.db2.gz PTFPNXFPCZFTLV-UHFFFAOYSA-N 1 3 278.440 3.071 20 0 CGADHO CSc1ccc(CCN[C@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC001579388184 960482383 /nfs/dbraw/zinc/48/23/83/960482383.db2.gz PPZMMEIOTZJRDO-UKRRQHHQSA-N 1 3 278.465 3.071 20 0 CGADHO NC[C@]12C[N@H+](CCC3CCCCC3)C[C@H]1CCCC2 ZINC001580256101 960486549 /nfs/dbraw/zinc/48/65/49/960486549.db2.gz RCBDDQYNZOZHFJ-IAGOWNOFSA-N 1 3 264.457 3.408 20 0 CGADHO NC[C@]12C[N@@H+](CCC3CCCCC3)C[C@H]1CCCC2 ZINC001580256101 960486557 /nfs/dbraw/zinc/48/65/57/960486557.db2.gz RCBDDQYNZOZHFJ-IAGOWNOFSA-N 1 3 264.457 3.408 20 0 CGADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CCCC[C@H]1CCN ZINC001576435226 962460500 /nfs/dbraw/zinc/46/05/00/962460500.db2.gz SQYCHPNWEIONHF-CABCVRRESA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@H]1CCN ZINC001576435226 962460510 /nfs/dbraw/zinc/46/05/10/962460510.db2.gz SQYCHPNWEIONHF-CABCVRRESA-N 1 3 252.446 3.406 20 0 CGADHO CCC(CC)(CN)C[NH2+]CC1CCC(SC)CC1 ZINC001577052055 962505248 /nfs/dbraw/zinc/50/52/48/962505248.db2.gz HQVFTVHZPMABNU-UHFFFAOYSA-N 1 3 272.502 3.263 20 0 CGADHO Cc1oc(-c2cccs2)nc1CNC1CCC([NH3+])CC1 ZINC001579926445 962681109 /nfs/dbraw/zinc/68/11/09/962681109.db2.gz CFUZRSNABVJGIT-UHFFFAOYSA-N 1 3 291.420 3.071 20 0 CGADHO C[N@H+](CCCCNCc1cscc1Cl)C1CC1 ZINC000651599762 398257705 /nfs/dbraw/zinc/25/77/05/398257705.db2.gz KXIXURXYPMWCHD-UHFFFAOYSA-N 1 3 272.845 3.366 20 0 CGADHO C[N@@H+](CCCCNCc1cscc1Cl)C1CC1 ZINC000651599762 398257708 /nfs/dbraw/zinc/25/77/08/398257708.db2.gz KXIXURXYPMWCHD-UHFFFAOYSA-N 1 3 272.845 3.366 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000651749868 398282119 /nfs/dbraw/zinc/28/21/19/398282119.db2.gz LYFPYKSVRULYJX-CQSZACIVSA-N 1 3 284.488 3.336 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000651749868 398282121 /nfs/dbraw/zinc/28/21/21/398282121.db2.gz LYFPYKSVRULYJX-CQSZACIVSA-N 1 3 284.488 3.336 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCF)cc1 ZINC000353433289 282147585 /nfs/dbraw/zinc/14/75/85/282147585.db2.gz FKTBWDWPUMWYGL-DLBZAZTESA-N 1 3 278.415 3.366 20 0 CGADHO C[C@H](N)CC[NH2+]C1CCC(C2CCCCC2)CC1 ZINC000622044692 349623036 /nfs/dbraw/zinc/62/30/36/349623036.db2.gz POENXKVZKHVYCY-JEYLPNPQSA-N 1 3 252.446 3.452 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)C[C@H](C)O1 ZINC000337996590 214351110 /nfs/dbraw/zinc/35/11/10/214351110.db2.gz KQESNHVQOPUXME-CIRFHOKZSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423464434 529453591 /nfs/dbraw/zinc/45/35/91/529453591.db2.gz LZHDPOAQNDSJTN-VHDGCEQUSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000125717645 187197523 /nfs/dbraw/zinc/19/75/23/187197523.db2.gz AOMKSEAUDMVMCK-LUKYLMHMSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125717645 187197524 /nfs/dbraw/zinc/19/75/24/187197524.db2.gz AOMKSEAUDMVMCK-LUKYLMHMSA-N 1 3 290.451 3.081 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423477315 529568857 /nfs/dbraw/zinc/56/88/57/529568857.db2.gz SZFATZQUGLOATA-ZYHUDNBSSA-N 1 3 290.329 3.016 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423478484 529569401 /nfs/dbraw/zinc/56/94/01/529569401.db2.gz UQRWXVFYBCBKHE-BXKDBHETSA-N 1 3 260.303 3.093 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCC1 ZINC000449286746 529589621 /nfs/dbraw/zinc/58/96/21/529589621.db2.gz VFOCQWKUFWKEME-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1C[C@@H]1C ZINC000414072477 529592948 /nfs/dbraw/zinc/59/29/48/529592948.db2.gz DVSJHAVZHWUVFR-QGTPRVQTSA-N 1 3 287.451 3.322 20 0 CGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449104682 529596440 /nfs/dbraw/zinc/59/64/40/529596440.db2.gz WLXPKCAKYKPOAL-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](COc1cccc(F)c1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371579 349792599 /nfs/dbraw/zinc/79/25/99/349792599.db2.gz JXNBNHFOXDJAKM-UKRRQHHQSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@H](COc1cccc(F)c1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371579 349792601 /nfs/dbraw/zinc/79/26/01/349792601.db2.gz JXNBNHFOXDJAKM-UKRRQHHQSA-N 1 3 294.414 3.055 20 0 CGADHO CCCCN1CCCC[C@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623404255 349800013 /nfs/dbraw/zinc/80/00/13/349800013.db2.gz VPVOOZVMMSYPNB-SJORKVTESA-N 1 3 295.515 3.103 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CCO1 ZINC000352972865 282247388 /nfs/dbraw/zinc/24/73/88/282247388.db2.gz ZMCUZIOEDCJRPD-BDXSIMOUSA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000352972865 282247391 /nfs/dbraw/zinc/24/73/91/282247391.db2.gz ZMCUZIOEDCJRPD-BDXSIMOUSA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000352972865 282247394 /nfs/dbraw/zinc/24/73/94/282247394.db2.gz ZMCUZIOEDCJRPD-BDXSIMOUSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432500 349808002 /nfs/dbraw/zinc/80/80/02/349808002.db2.gz VASNTQRLUVMSQL-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432500 349808005 /nfs/dbraw/zinc/80/80/05/349808005.db2.gz VASNTQRLUVMSQL-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423270261 529722686 /nfs/dbraw/zinc/72/26/86/529722686.db2.gz HZTMZSAVHMXNPI-OBJOEFQTSA-N 1 3 266.454 3.479 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)s1 ZINC000423270261 529722688 /nfs/dbraw/zinc/72/26/88/529722688.db2.gz HZTMZSAVHMXNPI-OBJOEFQTSA-N 1 3 266.454 3.479 20 0 CGADHO Cc1ccsc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000126821463 187264810 /nfs/dbraw/zinc/26/48/10/187264810.db2.gz FJGZVASHGJIHGC-GASCZTMLSA-N 1 3 296.480 3.036 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459476467 534945334 /nfs/dbraw/zinc/94/53/34/534945334.db2.gz QZNDZSSKHWXPAS-NFOMZHRRSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623575326 349840262 /nfs/dbraw/zinc/84/02/62/349840262.db2.gz VNXRBQOFMOZAPY-WCZJQEMASA-N 1 3 276.468 3.133 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000623657460 349859792 /nfs/dbraw/zinc/85/97/92/349859792.db2.gz RCZQYYXXGXHXQA-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO c1ccc(CSCC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000592424413 346986336 /nfs/dbraw/zinc/98/63/36/346986336.db2.gz QAIUKZFWWNCIAJ-UHFFFAOYSA-N 1 3 290.476 3.136 20 0 CGADHO c1ccc(CSCC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000592424413 346986338 /nfs/dbraw/zinc/98/63/38/346986338.db2.gz QAIUKZFWWNCIAJ-UHFFFAOYSA-N 1 3 290.476 3.136 20 0 CGADHO C[NH+]1CCC(CCNCc2ccc(F)cc2Cl)CC1 ZINC000133092803 530049045 /nfs/dbraw/zinc/04/90/45/530049045.db2.gz QWJDVYOHEKRMPD-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000037649738 344951742 /nfs/dbraw/zinc/95/17/42/344951742.db2.gz LRMXRSOXBWSMGZ-CQSZACIVSA-N 1 3 281.403 3.439 20 0 CGADHO Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000037649738 344951744 /nfs/dbraw/zinc/95/17/44/344951744.db2.gz LRMXRSOXBWSMGZ-CQSZACIVSA-N 1 3 281.403 3.439 20 0 CGADHO CC[NH+]1CCC(CNCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000044517410 345011695 /nfs/dbraw/zinc/01/16/95/345011695.db2.gz PEEMMFLXYSFOPC-XJKSGUPXSA-N 1 3 276.424 3.225 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(OC)cc2F)CC1 ZINC000044517795 345012453 /nfs/dbraw/zinc/01/24/53/345012453.db2.gz OUCDHIUXPWHDEL-CYBMUJFWSA-N 1 3 294.414 3.217 20 0 CGADHO CC[NH+]1CCC(CNCc2cnc(C(C)(C)C)s2)CC1 ZINC000062839023 345240636 /nfs/dbraw/zinc/24/06/36/345240636.db2.gz NOHJUOHTEMKOJY-UHFFFAOYSA-N 1 3 295.496 3.262 20 0 CGADHO CC(C)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000093211812 345872820 /nfs/dbraw/zinc/87/28/20/345872820.db2.gz ICPAEXBZNMHAPM-XHSDSOJGSA-N 1 3 264.388 3.382 20 0 CGADHO Cc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000094952973 345899370 /nfs/dbraw/zinc/89/93/70/345899370.db2.gz LHJZJNKVBXBWEA-XBFCOCLRSA-N 1 3 250.361 3.055 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000251722894 346389377 /nfs/dbraw/zinc/38/93/77/346389377.db2.gz KBBKJRIZVKSTGR-OAGGEKHMSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000252217284 346390686 /nfs/dbraw/zinc/39/06/86/346390686.db2.gz YARNCZLORWOIST-FPCVCCKLSA-N 1 3 252.446 3.131 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000339071837 346501071 /nfs/dbraw/zinc/50/10/71/346501071.db2.gz SGBBJCCPAGPJBB-YHUYYLMFSA-N 1 3 282.497 3.267 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(OC(F)F)cc1 ZINC000584714651 346709616 /nfs/dbraw/zinc/70/96/16/346709616.db2.gz WOEBMMLPTLFVIJ-CABCVRRESA-N 1 3 298.377 3.080 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1 ZINC000624119704 349975473 /nfs/dbraw/zinc/97/54/73/349975473.db2.gz HNENKWPLUYQBRA-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000624119704 349975476 /nfs/dbraw/zinc/97/54/76/349975476.db2.gz HNENKWPLUYQBRA-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119704 349975481 /nfs/dbraw/zinc/97/54/81/349975481.db2.gz HNENKWPLUYQBRA-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CC(C)CSCCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595503710 347312217 /nfs/dbraw/zinc/31/22/17/347312217.db2.gz ARAKBSWHRPHJHK-INIZCTEOSA-N 1 3 284.513 3.183 20 0 CGADHO CC(C)CSCCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595503710 347312220 /nfs/dbraw/zinc/31/22/20/347312220.db2.gz ARAKBSWHRPHJHK-INIZCTEOSA-N 1 3 284.513 3.183 20 0 CGADHO Cc1cc(C)c(CN2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000601567924 347897313 /nfs/dbraw/zinc/89/73/13/347897313.db2.gz PVQIVUKMWMXMMP-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120805 349979082 /nfs/dbraw/zinc/97/90/82/349979082.db2.gz HHBKXCWQPOJCBZ-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121683 349979676 /nfs/dbraw/zinc/97/96/76/349979676.db2.gz BBGAXYDRHDINCL-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121684 349980360 /nfs/dbraw/zinc/98/03/60/349980360.db2.gz BBGAXYDRHDINCL-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000624122466 349982080 /nfs/dbraw/zinc/98/20/80/349982080.db2.gz RTZYIERQEHXFPE-QQFBHYJXSA-N 1 3 290.426 3.393 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000624122466 349982082 /nfs/dbraw/zinc/98/20/82/349982082.db2.gz RTZYIERQEHXFPE-QQFBHYJXSA-N 1 3 290.426 3.393 20 0 CGADHO C[N@H+]1CCCC[C@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000624122466 349982084 /nfs/dbraw/zinc/98/20/84/349982084.db2.gz RTZYIERQEHXFPE-QQFBHYJXSA-N 1 3 290.426 3.393 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)CCCCC1 ZINC000624123400 349983253 /nfs/dbraw/zinc/98/32/53/349983253.db2.gz LESDYAQXJDNZLA-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO C/C(=C\c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000608061546 348280485 /nfs/dbraw/zinc/28/04/85/348280485.db2.gz JZJHYEHURXWCSJ-UCGSKFKCSA-N 1 3 258.409 3.162 20 0 CGADHO C/C(=C\c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000608061546 348280487 /nfs/dbraw/zinc/28/04/87/348280487.db2.gz JZJHYEHURXWCSJ-UCGSKFKCSA-N 1 3 258.409 3.162 20 0 CGADHO CCCCOCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000615455675 348741310 /nfs/dbraw/zinc/74/13/10/348741310.db2.gz ZXACBUORXXDBLY-UHFFFAOYSA-N 1 3 296.499 3.391 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000626061774 350254910 /nfs/dbraw/zinc/25/49/10/350254910.db2.gz UTGHULUIUSVAFI-GOSISDBHSA-N 1 3 290.451 3.139 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628229737 350451258 /nfs/dbraw/zinc/45/12/58/350451258.db2.gz GUOCFZSYPZNLQU-HZPDHXFCSA-N 1 3 284.513 3.230 20 0 CGADHO CCC[C@@H](NCCOCC[NH2+]C)c1ccc(Cl)cc1 ZINC000629529111 350703187 /nfs/dbraw/zinc/70/31/87/350703187.db2.gz RVIXLEMFWVHNSB-OAHLLOKOSA-N 1 3 284.831 3.007 20 0 CGADHO CC[C@@H](N[C@H]1CC[C@H](OCCC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000629531174 350704134 /nfs/dbraw/zinc/70/41/34/350704134.db2.gz CKRBBWYFUNCXGP-TVFCKZIOSA-N 1 3 296.499 3.481 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CC[C@H](OCCC(C)C)CC1)[C@@H]1CCCN1 ZINC000629531174 350704139 /nfs/dbraw/zinc/70/41/39/350704139.db2.gz CKRBBWYFUNCXGP-TVFCKZIOSA-N 1 3 296.499 3.481 20 0 CGADHO Cc1ccc2ncc(CN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2c1 ZINC000629540487 350707517 /nfs/dbraw/zinc/70/75/17/350707517.db2.gz PNGZIJSUAQVZJI-VKJFTORMSA-N 1 3 297.446 3.348 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)CC3 ZINC000629542784 350708598 /nfs/dbraw/zinc/70/85/98/350708598.db2.gz LPZWPJMDPJCNNL-RRFJBIMHSA-N 1 3 297.446 3.064 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629550347 350711330 /nfs/dbraw/zinc/71/13/30/350711330.db2.gz LXDLVTXDYYAGPM-RYUDHWBXSA-N 1 3 278.362 3.359 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556739 350712902 /nfs/dbraw/zinc/71/29/02/350712902.db2.gz XIPBXPLQSTWCBO-RRFJBIMHSA-N 1 3 264.800 3.187 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629564897 350713711 /nfs/dbraw/zinc/71/37/11/350713711.db2.gz VPUVZZFYBGMCAB-KBPBESRZSA-N 1 3 292.389 3.416 20 0 CGADHO CCCCc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629520764 350700504 /nfs/dbraw/zinc/70/05/04/350700504.db2.gz IEYSNZMYQNOAGJ-HNNXBMFYSA-N 1 3 290.451 3.188 20 0 CGADHO CCCCc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629520766 350700633 /nfs/dbraw/zinc/70/06/33/350700633.db2.gz IEYSNZMYQNOAGJ-OAHLLOKOSA-N 1 3 290.451 3.188 20 0 CGADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@H]1CCc3ccccc31)C2 ZINC000629595339 350716899 /nfs/dbraw/zinc/71/68/99/350716899.db2.gz QDRDQLOKHAFDKE-QRQLOZEOSA-N 1 3 284.447 3.038 20 0 CGADHO C[C@@H]1C[C@H](CNC2(c3c(F)cccc3F)CCC2)CC[NH2+]1 ZINC000629673663 350734462 /nfs/dbraw/zinc/73/44/62/350734462.db2.gz AXCRBGTUFUAXFB-CHWSQXEVSA-N 1 3 294.389 3.322 20 0 CGADHO CN(C)CCOc1cccc(-c2cccc3c2CC[C@@H]3[NH3+])c1 ZINC000629699876 350743291 /nfs/dbraw/zinc/74/32/91/350743291.db2.gz CJBMHEHUJQLSOX-IBGZPJMESA-N 1 3 296.414 3.240 20 0 CGADHO C[NH2+]CCc1ccc(-c2cccc(OCCN(C)C)c2)cc1 ZINC000629700399 350743360 /nfs/dbraw/zinc/74/33/60/350743360.db2.gz JZVSIZOGUCUAKN-UHFFFAOYSA-N 1 3 298.430 3.056 20 0 CGADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000631568247 351069865 /nfs/dbraw/zinc/06/98/65/351069865.db2.gz UCCVWLUQXGHASV-LJQANCHMSA-N 1 3 295.430 3.310 20 0 CGADHO CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1cccc(OC)c1OC ZINC000631575486 351073206 /nfs/dbraw/zinc/07/32/06/351073206.db2.gz GEFYRKMFJBVANI-UKRRQHHQSA-N 1 3 294.439 3.085 20 0 CGADHO C1CC12CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000635003044 351621580 /nfs/dbraw/zinc/62/15/80/351621580.db2.gz FMPBRYNFDJSJDO-JJXSEGSLSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006007 351623996 /nfs/dbraw/zinc/62/39/96/351623996.db2.gz KOLNUJJSSWVZLO-YOEHRIQHSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@@H](Cc1ccsc1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635006007 351624001 /nfs/dbraw/zinc/62/40/01/351624001.db2.gz KOLNUJJSSWVZLO-YOEHRIQHSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000635010402 351628252 /nfs/dbraw/zinc/62/82/52/351628252.db2.gz KNGMMAPDRLAEDN-AWEZNQCLSA-N 1 3 266.388 3.183 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635009946 351628655 /nfs/dbraw/zinc/62/86/55/351628655.db2.gz XSBBOMVQCYZLIG-HOCLYGCPSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@@H](Cc1cccs1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635009946 351628657 /nfs/dbraw/zinc/62/86/57/351628657.db2.gz XSBBOMVQCYZLIG-HOCLYGCPSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635011048 351629815 /nfs/dbraw/zinc/62/98/15/351629815.db2.gz OYXDTVUKAOGZHR-AWEZNQCLSA-N 1 3 284.403 3.036 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000122831589 187054215 /nfs/dbraw/zinc/05/42/15/187054215.db2.gz CIXJQDVFGCMCEG-SCDSUCTJSA-N 1 3 266.454 3.498 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000122831589 187054216 /nfs/dbraw/zinc/05/42/16/187054216.db2.gz CIXJQDVFGCMCEG-SCDSUCTJSA-N 1 3 266.454 3.498 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc3cc(OC)ccc3c2)C1 ZINC000124145643 187123701 /nfs/dbraw/zinc/12/37/01/187123701.db2.gz FTJGWIIDPXAZBY-INIZCTEOSA-N 1 3 298.430 3.280 20 0 CGADHO Cc1ccccc1C[NH+]1CCC(NCc2ccn(C)c2)CC1 ZINC000123388061 187089078 /nfs/dbraw/zinc/08/90/78/187089078.db2.gz DGYMUJLHGRERCF-UHFFFAOYSA-N 1 3 297.446 3.088 20 0 CGADHO C[NH+](C)CCC1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411190235 235036025 /nfs/dbraw/zinc/03/60/25/235036025.db2.gz NPPTVBPFLLGXRG-ROUUACIJSA-N 1 3 290.426 3.345 20 0 CGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(C)cc1 ZINC000271854341 191369778 /nfs/dbraw/zinc/36/97/78/191369778.db2.gz JALHHPYZGHQXOJ-KRWDZBQOSA-N 1 3 258.409 3.298 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000414179665 235355755 /nfs/dbraw/zinc/35/57/55/235355755.db2.gz LMEKLIRBMVCOET-UONOGXRCSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179665 235355756 /nfs/dbraw/zinc/35/57/56/235355756.db2.gz LMEKLIRBMVCOET-UONOGXRCSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171655 235352870 /nfs/dbraw/zinc/35/28/70/235352870.db2.gz DJNMKZYZXIJIFG-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171655 235352872 /nfs/dbraw/zinc/35/28/72/235352872.db2.gz DJNMKZYZXIJIFG-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CCNCC1 ZINC000414780786 235463750 /nfs/dbraw/zinc/46/37/50/235463750.db2.gz MAMOBMHLNCUVHQ-AWEZNQCLSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000093495783 138346122 /nfs/dbraw/zinc/34/61/22/138346122.db2.gz BQVTVXVCVBALLF-WMLDXEAASA-N 1 3 278.415 3.269 20 0 CGADHO CCCC[C@@H](COC)[NH2+]CCCN1CCCC[C@@H]1C ZINC000479900758 535359046 /nfs/dbraw/zinc/35/90/46/535359046.db2.gz KXVVWERHAKJBID-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@@H](COC)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000479900758 535359049 /nfs/dbraw/zinc/35/90/49/535359049.db2.gz KXVVWERHAKJBID-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@@H](COC)NCCC[N@H+]1CCCC[C@@H]1C ZINC000479900758 535359053 /nfs/dbraw/zinc/35/90/53/535359053.db2.gz KXVVWERHAKJBID-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423221441 236000164 /nfs/dbraw/zinc/00/01/64/236000164.db2.gz ZVZOKKXYDZUGPR-IIYDPXPESA-N 1 3 276.399 3.038 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423264235 236013833 /nfs/dbraw/zinc/01/38/33/236013833.db2.gz BVWIGBVIJQOPPE-WHOFXGATSA-N 1 3 298.377 3.456 20 0 CGADHO Cc1cncc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000423292571 236027210 /nfs/dbraw/zinc/02/72/10/236027210.db2.gz NIUIRMKMEOJTST-KGLIPLIRSA-N 1 3 269.392 3.261 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1N(C)C ZINC000423265943 236014280 /nfs/dbraw/zinc/01/42/80/236014280.db2.gz BLJXNVGCCXLECX-HEHGZKQESA-N 1 3 293.430 3.060 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](Cc1ccccc1F)c1ccccc1 ZINC000423308552 236033377 /nfs/dbraw/zinc/03/33/77/236033377.db2.gz OTSVFYVHTMPIGL-RDTXWAMCSA-N 1 3 286.394 3.294 20 0 CGADHO Cc1cc([C@H](C)NC[C@@H](C)C[NH3+])sc1Br ZINC000423310216 236033752 /nfs/dbraw/zinc/03/37/52/236033752.db2.gz RKYWPPSRFQEOSF-CBAPKCEASA-N 1 3 291.258 3.064 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423365167 236051396 /nfs/dbraw/zinc/05/13/96/236051396.db2.gz PGYITXGWPFHSMK-PQEBFOHHSA-N 1 3 287.451 3.004 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423406578 236066730 /nfs/dbraw/zinc/06/67/30/236066730.db2.gz YZZZMLPQBMVFRQ-VUCTXSBTSA-N 1 3 258.409 3.096 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1(C)CC1 ZINC000423466635 236077573 /nfs/dbraw/zinc/07/75/73/236077573.db2.gz INIXOAFRIACRAH-UKPHBRMFSA-N 1 3 290.426 3.297 20 0 CGADHO [NH3+]C[C@H](N[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531470 236093102 /nfs/dbraw/zinc/09/31/02/236093102.db2.gz QKSSURRZOQKKCR-SJORKVTESA-N 1 3 258.409 3.171 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424364235 236156934 /nfs/dbraw/zinc/15/69/34/236156934.db2.gz DEDMUELNDAVUAA-ZIAGYGMSSA-N 1 3 286.341 3.373 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000425930104 236274199 /nfs/dbraw/zinc/27/41/99/236274199.db2.gz ZJVYPYWGKNOORG-UAGQMJEPSA-N 1 3 289.467 3.204 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)CN(C)C ZINC000425948353 236275312 /nfs/dbraw/zinc/27/53/12/236275312.db2.gz AIZYEOWJKSFPRK-KBRIMQKVSA-N 1 3 278.415 3.249 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc(C)c1F ZINC000425951584 236275531 /nfs/dbraw/zinc/27/55/31/236275531.db2.gz NCXJKRHDIDNLPC-FZMZJTMJSA-N 1 3 266.404 3.291 20 0 CGADHO C[C@H](NCC1(c2cccc(F)c2)CCCCC1)C1C[NH2+]C1 ZINC000422900624 299285982 /nfs/dbraw/zinc/28/59/82/299285982.db2.gz JTWBIAPDSWLXMG-AWEZNQCLSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H]([NH2+]CC1(c2cccc(F)c2)CCCCC1)C1CNC1 ZINC000422900624 299285987 /nfs/dbraw/zinc/28/59/87/299285987.db2.gz JTWBIAPDSWLXMG-AWEZNQCLSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H](NCC1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000297152605 200098941 /nfs/dbraw/zinc/09/89/41/200098941.db2.gz GFIYYSRKFKCORP-SNVBAGLBSA-N 1 3 270.779 3.129 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000178364393 189110518 /nfs/dbraw/zinc/11/05/18/189110518.db2.gz KBYCVQBZGZCRKZ-KGLIPLIRSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423161797 296020674 /nfs/dbraw/zinc/02/06/74/296020674.db2.gz SHVNRJYPJKZTAW-WYUUTHIRSA-N 1 3 266.351 3.213 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(CO)c1 ZINC000183287887 189353057 /nfs/dbraw/zinc/35/30/57/189353057.db2.gz PVYKDPPEVNXLOC-CQSZACIVSA-N 1 3 290.451 3.092 20 0 CGADHO C[C@H](O)CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449290703 239295141 /nfs/dbraw/zinc/29/51/41/239295141.db2.gz HESNOASTJWCHIU-HNNXBMFYSA-N 1 3 298.515 3.416 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC(C)(C)CO)CC1 ZINC000449406442 239390563 /nfs/dbraw/zinc/39/05/63/239390563.db2.gz AULRAMDBHPATIF-WBVHZDCISA-N 1 3 296.499 3.028 20 0 CGADHO Cc1cc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)ccn1 ZINC000302534754 201474879 /nfs/dbraw/zinc/47/48/79/201474879.db2.gz DPEPJHUFFDCODI-UMVBOHGHSA-N 1 3 261.413 3.168 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459429023 242105752 /nfs/dbraw/zinc/10/57/52/242105752.db2.gz QAFCZUMNFYYNAK-CVEARBPZSA-N 1 3 280.843 3.345 20 0 CGADHO CC(C)c1ncc(CNCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459722885 242192183 /nfs/dbraw/zinc/19/21/83/242192183.db2.gz CFNJNTXJYSRESU-CYBMUJFWSA-N 1 3 281.469 3.088 20 0 CGADHO CC(C)c1ncc(CNCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459722885 242192190 /nfs/dbraw/zinc/19/21/90/242192190.db2.gz CFNJNTXJYSRESU-CYBMUJFWSA-N 1 3 281.469 3.088 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000459742377 242204620 /nfs/dbraw/zinc/20/46/20/242204620.db2.gz VYEQNGIKYJSUGQ-YCPHGPKFSA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459742377 242204625 /nfs/dbraw/zinc/20/46/25/242204625.db2.gz VYEQNGIKYJSUGQ-YCPHGPKFSA-N 1 3 276.424 3.225 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000480660664 243160161 /nfs/dbraw/zinc/16/01/61/243160161.db2.gz GLWRQMGFSJHGMP-WMLDXEAASA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000480660664 243160167 /nfs/dbraw/zinc/16/01/67/243160167.db2.gz GLWRQMGFSJHGMP-WMLDXEAASA-N 1 3 260.425 3.240 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000484466348 243313747 /nfs/dbraw/zinc/31/37/47/243313747.db2.gz KJQAAOZEWGPFRL-LEOABGAYSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCCC1 ZINC000123709560 370914864 /nfs/dbraw/zinc/91/48/64/370914864.db2.gz KRKYRHDPPNZHGQ-AWEZNQCLSA-N 1 3 260.425 3.417 20 0 CGADHO CCOc1ccccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000124138572 370920519 /nfs/dbraw/zinc/92/05/19/370920519.db2.gz HWPGONZTJMJBRE-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000019912930 368782153 /nfs/dbraw/zinc/78/21/53/368782153.db2.gz GQJVWERTCQMYNO-OWCLPIDISA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000035012893 368989824 /nfs/dbraw/zinc/98/98/24/368989824.db2.gz GWXCAQJSHVTDON-QGZVFWFLSA-N 1 3 276.424 3.220 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644629 369094573 /nfs/dbraw/zinc/09/45/73/369094573.db2.gz KVCFFHFJCREFSL-CXAGYDPISA-N 1 3 276.399 3.208 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644629 369094574 /nfs/dbraw/zinc/09/45/74/369094574.db2.gz KVCFFHFJCREFSL-CXAGYDPISA-N 1 3 276.399 3.208 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000037644629 369094575 /nfs/dbraw/zinc/09/45/75/369094575.db2.gz KVCFFHFJCREFSL-CXAGYDPISA-N 1 3 276.399 3.208 20 0 CGADHO CC(C)[N@H+](C)CCCNC1CC(OCc2ccccc2)C1 ZINC000493917062 244254097 /nfs/dbraw/zinc/25/40/97/244254097.db2.gz OUJRPYQQFJMQFC-UHFFFAOYSA-N 1 3 290.451 3.054 20 0 CGADHO CC(C)[N@@H+](C)CCCNC1CC(OCc2ccccc2)C1 ZINC000493917062 244254101 /nfs/dbraw/zinc/25/41/01/244254101.db2.gz OUJRPYQQFJMQFC-UHFFFAOYSA-N 1 3 290.451 3.054 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493917062 244254105 /nfs/dbraw/zinc/25/41/05/244254105.db2.gz OUJRPYQQFJMQFC-UHFFFAOYSA-N 1 3 290.451 3.054 20 0 CGADHO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000128988525 370970109 /nfs/dbraw/zinc/97/01/09/370970109.db2.gz XUDAELKEWDJOKT-BFYDXBDKSA-N 1 3 290.451 3.292 20 0 CGADHO Cc1ccccc1[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062077845 369617658 /nfs/dbraw/zinc/61/76/58/369617658.db2.gz GYLNOOKLPIDAJO-GDBMZVCRSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077845 369617660 /nfs/dbraw/zinc/61/76/60/369617660.db2.gz GYLNOOKLPIDAJO-GDBMZVCRSA-N 1 3 260.425 3.378 20 0 CGADHO COc1ccc(C)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000088163900 370030665 /nfs/dbraw/zinc/03/06/65/370030665.db2.gz ZKNOREZQDKDEHQ-ALOPSCKCSA-N 1 3 288.435 3.109 20 0 CGADHO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000090219991 370058892 /nfs/dbraw/zinc/05/88/92/370058892.db2.gz BXXAPOKXXNVWOH-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO CS[C@H](C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000090725591 370067810 /nfs/dbraw/zinc/06/78/10/370067810.db2.gz WGCCDRJHPYJYIY-ZIAGYGMSSA-N 1 3 296.480 3.029 20 0 CGADHO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000090725590 370068803 /nfs/dbraw/zinc/06/88/03/370068803.db2.gz WGCCDRJHPYJYIY-UONOGXRCSA-N 1 3 296.480 3.029 20 0 CGADHO COc1ccc2c(c1)[C@@H](N[C@H](C)CC[NH+](C)C)CCC2 ZINC000092383843 370096206 /nfs/dbraw/zinc/09/62/06/370096206.db2.gz OCDQFKHWWSBHMT-DYVFJYSZSA-N 1 3 276.424 3.002 20 0 CGADHO CN(Cc1cnc(C2CCC2)s1)CC1CC[NH+](C)CC1 ZINC000093089284 370108921 /nfs/dbraw/zinc/10/89/21/370108921.db2.gz WNGMJBQJKQKFSE-UHFFFAOYSA-N 1 3 293.480 3.184 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753132 370156443 /nfs/dbraw/zinc/15/64/43/370156443.db2.gz YJHZPZGBIZVDCJ-HNNXBMFYSA-N 1 3 285.435 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093753132 370156447 /nfs/dbraw/zinc/15/64/47/370156447.db2.gz YJHZPZGBIZVDCJ-HNNXBMFYSA-N 1 3 285.435 3.332 20 0 CGADHO CC[C@H](C[C@@H](C)CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000512986141 245060656 /nfs/dbraw/zinc/06/06/56/245060656.db2.gz GYSFZVDEUBJKOC-HZPDHXFCSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@@H]1CCCNC1 ZINC000415081359 296161578 /nfs/dbraw/zinc/16/15/78/296161578.db2.gz KJONVXXUZJXOOM-TUVASFSCSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129720131 370997856 /nfs/dbraw/zinc/99/78/56/370997856.db2.gz VZJCGQFUQPMVAJ-KCYZZUKISA-N 1 3 292.492 3.486 20 0 CGADHO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Sc1ccccc1 ZINC000129720131 370997860 /nfs/dbraw/zinc/99/78/60/370997860.db2.gz VZJCGQFUQPMVAJ-KCYZZUKISA-N 1 3 292.492 3.486 20 0 CGADHO CC1CC[NH+](C2CCC(NCc3ccco3)CC2)CC1 ZINC000131088236 371082296 /nfs/dbraw/zinc/08/22/96/371082296.db2.gz CQTMRFIZUPQXPS-UHFFFAOYSA-N 1 3 276.424 3.412 20 0 CGADHO CCC[C@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337306444 376206037 /nfs/dbraw/zinc/20/60/37/376206037.db2.gz VJMYXPUXUQIUQQ-HNNXBMFYSA-N 1 3 275.440 3.418 20 0 CGADHO CCC[C@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337306444 376206044 /nfs/dbraw/zinc/20/60/44/376206044.db2.gz VJMYXPUXUQIUQQ-HNNXBMFYSA-N 1 3 275.440 3.418 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000151126920 371573895 /nfs/dbraw/zinc/57/38/95/371573895.db2.gz TVGPUNRAQREARS-UKRRQHHQSA-N 1 3 278.465 3.447 20 0 CGADHO CC[C@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000152154574 371680405 /nfs/dbraw/zinc/68/04/05/371680405.db2.gz IJEJMGASQANENU-UONOGXRCSA-N 1 3 264.413 3.076 20 0 CGADHO COC1([C@@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CCCC1 ZINC000421821018 371641863 /nfs/dbraw/zinc/64/18/63/371641863.db2.gz OZLFJQRCADTPNV-OAHLLOKOSA-N 1 3 290.451 3.186 20 0 CGADHO CCC[C@@H](NCCC[NH+](C)C)c1ccc(OC)cc1 ZINC000151912015 371652433 /nfs/dbraw/zinc/65/24/33/371652433.db2.gz XQKMNHYUEJGIRM-MRXNPFEDSA-N 1 3 264.413 3.078 20 0 CGADHO COC1([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)CCCC1 ZINC000421835794 371659258 /nfs/dbraw/zinc/65/92/58/371659258.db2.gz FXPBBZNTHSEEMB-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)CCCC1 ZINC000421835794 371659260 /nfs/dbraw/zinc/65/92/60/371659260.db2.gz FXPBBZNTHSEEMB-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO C[NH+](C)CCCN[C@@H](CC1CCC1)c1ccccc1 ZINC000344033726 217021176 /nfs/dbraw/zinc/02/11/76/217021176.db2.gz MBUPUYIHFGVXDC-KRWDZBQOSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCSc1ccc(Cl)cc1 ZINC000422762520 371791777 /nfs/dbraw/zinc/79/17/77/371791777.db2.gz IGBBIZSGJKJZAP-QWRGUYRKSA-N 1 3 272.845 3.148 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422691733 371756416 /nfs/dbraw/zinc/75/64/16/371756416.db2.gz IWCOOIASXRMZKA-CRAIPNDOSA-N 1 3 290.451 3.091 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000422708754 371762214 /nfs/dbraw/zinc/76/22/14/371762214.db2.gz YDGNQBYECQNMDE-IRXDYDNUSA-N 1 3 260.425 3.116 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCCOC1CCCCC1 ZINC000422712426 371763907 /nfs/dbraw/zinc/76/39/07/371763907.db2.gz OFLSYEYRYOVUKN-CABCVRRESA-N 1 3 270.461 3.221 20 0 CGADHO Fc1ccc([C@@H]([NH2+]C2CCNCC2)C2CCC2)cc1 ZINC000422716537 371765680 /nfs/dbraw/zinc/76/56/80/371765680.db2.gz NJLIETRWKBRAIL-INIZCTEOSA-N 1 3 262.372 3.009 20 0 CGADHO CC(C)(CN[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000422729336 371770413 /nfs/dbraw/zinc/77/04/13/371770413.db2.gz KNGMAHOILSIAOV-ZDUSSCGKSA-N 1 3 298.833 3.488 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCNCC1)c1ccc(F)cc1Cl ZINC000422729336 371770420 /nfs/dbraw/zinc/77/04/20/371770420.db2.gz KNGMAHOILSIAOV-ZDUSSCGKSA-N 1 3 298.833 3.488 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1ccccc1 ZINC000422726913 371770699 /nfs/dbraw/zinc/77/06/99/371770699.db2.gz ATAJOVCOZINIFZ-AWEZNQCLSA-N 1 3 283.419 3.132 20 0 CGADHO C[C@H](COc1ccc(C(C)(C)C)cc1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422745192 371780156 /nfs/dbraw/zinc/78/01/56/371780156.db2.gz XGRGQQOUPFEVLQ-RRFJBIMHSA-N 1 3 292.467 3.467 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CCC[C@@H]2N)c1C ZINC000422741539 371780562 /nfs/dbraw/zinc/78/05/62/371780562.db2.gz OTCCGQDZMVVYBC-HOTGVXAUSA-N 1 3 271.408 3.063 20 0 CGADHO CC(C)(C)c1csc(CC[NH2+][C@@H]2CCCC[C@H]2CN)n1 ZINC000422745052 371780569 /nfs/dbraw/zinc/78/05/69/371780569.db2.gz ULTJRJYFCOBEPR-QWHCGFSZSA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1csc(CCN[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422745052 371780571 /nfs/dbraw/zinc/78/05/71/371780571.db2.gz ULTJRJYFCOBEPR-QWHCGFSZSA-N 1 3 295.496 3.090 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@H]2CCNCC[C@@H]2C)c1 ZINC000422777113 371802047 /nfs/dbraw/zinc/80/20/47/371802047.db2.gz FGAVPFPJACTXEZ-UXLLHSPISA-N 1 3 260.425 3.076 20 0 CGADHO Cc1cccc2c(CC[NH2+][C@@H]3CCCC[C@@H]3CN)c[nH]c21 ZINC000422782695 371803691 /nfs/dbraw/zinc/80/36/91/371803691.db2.gz LZWSXPYKAKWUBW-RHSMWYFYSA-N 1 3 285.435 3.126 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Cc1cccs1 ZINC000422785102 371806217 /nfs/dbraw/zinc/80/62/17/371806217.db2.gz QTTYHCXNZNBOLU-GZBFAFLISA-N 1 3 266.454 3.034 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[NH2+]CC[C@@H]3C)ccc2c1 ZINC000422795557 371813416 /nfs/dbraw/zinc/81/34/16/371813416.db2.gz HOFOLQJIKZIDCE-LIRRHRJNSA-N 1 3 298.430 3.326 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422811965 371825629 /nfs/dbraw/zinc/82/56/29/371825629.db2.gz VOACRLHNUYORFK-DCAQKATOSA-N 1 3 290.329 3.362 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000422811694 371825707 /nfs/dbraw/zinc/82/57/07/371825707.db2.gz VEUGAKIUAUOJIX-HNAYVOBHSA-N 1 3 295.430 3.226 20 0 CGADHO CCCCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422863613 371844660 /nfs/dbraw/zinc/84/46/60/371844660.db2.gz PCVBBNNWDNIBLY-UONOGXRCSA-N 1 3 294.439 3.090 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(F)cc2)CCCC1 ZINC000422878932 371851454 /nfs/dbraw/zinc/85/14/54/371851454.db2.gz LLAPZOAXZIODBP-JKSUJKDBSA-N 1 3 276.399 3.107 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCC1 ZINC000422889402 371855236 /nfs/dbraw/zinc/85/52/36/371855236.db2.gz PJOAKDXLOQHYRL-YESZJQIVSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H]([NH2+]CC1(c2ccccc2)CCCCCC1)C1CNC1 ZINC000422902034 371861531 /nfs/dbraw/zinc/86/15/31/371861531.db2.gz CNJVLNXJLRJKOP-MRXNPFEDSA-N 1 3 286.463 3.476 20 0 CGADHO C[C@@H](NCC1(c2ccccc2)CCCCCC1)C1C[NH2+]C1 ZINC000422902034 371861538 /nfs/dbraw/zinc/86/15/38/371861538.db2.gz CNJVLNXJLRJKOP-MRXNPFEDSA-N 1 3 286.463 3.476 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954201 371861769 /nfs/dbraw/zinc/86/17/69/371861769.db2.gz ICDUKEHSFBMILO-DOTOQJQBSA-N 1 3 290.451 3.171 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000289954201 371861774 /nfs/dbraw/zinc/86/17/74/371861774.db2.gz ICDUKEHSFBMILO-DOTOQJQBSA-N 1 3 290.451 3.171 20 0 CGADHO C[C@@H](NCC1(Sc2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000422910721 371864251 /nfs/dbraw/zinc/86/42/51/371864251.db2.gz ROJZMJCAUDXYSA-CQSZACIVSA-N 1 3 290.476 3.289 20 0 CGADHO C[C@@H]([NH2+]CC1(Sc2ccccc2)CCCC1)C1CNC1 ZINC000422910721 371864259 /nfs/dbraw/zinc/86/42/59/371864259.db2.gz ROJZMJCAUDXYSA-CQSZACIVSA-N 1 3 290.476 3.289 20 0 CGADHO CC[C@H](N[C@@H](C)CCC[NH3+])c1cc(F)ccc1F ZINC000422916137 371867559 /nfs/dbraw/zinc/86/75/59/371867559.db2.gz CKNBGNXKKPQLPB-HZMBPMFUSA-N 1 3 256.340 3.133 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948496 371886190 /nfs/dbraw/zinc/88/61/90/371886190.db2.gz SAHDAXXBJMGFBH-KBPBESRZSA-N 1 3 284.350 3.038 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000422918397 371870245 /nfs/dbraw/zinc/87/02/45/371870245.db2.gz HKCWPERCBQFMNI-QWRGUYRKSA-N 1 3 286.822 3.472 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422918397 371870249 /nfs/dbraw/zinc/87/02/49/371870249.db2.gz HKCWPERCBQFMNI-QWRGUYRKSA-N 1 3 286.822 3.472 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1ccccc1C ZINC000422921539 371871866 /nfs/dbraw/zinc/87/18/66/371871866.db2.gz QIJONCSMPLGKBV-GVDBMIGSSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1C ZINC000422921539 371871873 /nfs/dbraw/zinc/87/18/73/371871873.db2.gz QIJONCSMPLGKBV-GVDBMIGSSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1C ZINC000422923281 371873367 /nfs/dbraw/zinc/87/33/67/371873367.db2.gz VTVDGTNFKKZEBF-UAGQMJEPSA-N 1 3 290.451 3.130 20 0 CGADHO Cc1cccc(C)c1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422925780 371873549 /nfs/dbraw/zinc/87/35/49/371873549.db2.gz BSMAQSAFRILVMI-IRXDYDNUSA-N 1 3 260.425 3.096 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1csc2ccccc12 ZINC000422936016 371879777 /nfs/dbraw/zinc/87/97/77/371879777.db2.gz LSRYTZGCOOAXNL-VXGBXAGGSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1csc2ccccc12 ZINC000422936016 371879779 /nfs/dbraw/zinc/87/97/79/371879779.db2.gz LSRYTZGCOOAXNL-VXGBXAGGSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc2ccccc2c1 ZINC000422938662 371881520 /nfs/dbraw/zinc/88/15/20/371881520.db2.gz DVNVRRZNLHVVCT-UONOGXRCSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc2ccccc2c1 ZINC000422938662 371881524 /nfs/dbraw/zinc/88/15/24/371881524.db2.gz DVNVRRZNLHVVCT-UONOGXRCSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccccc1-c1ccccc1 ZINC000422943287 371883575 /nfs/dbraw/zinc/88/35/75/371883575.db2.gz XVHUTSQLRJKAEY-HOTGVXAUSA-N 1 3 298.430 3.448 20 0 CGADHO CCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)s1 ZINC000422858722 371842303 /nfs/dbraw/zinc/84/23/03/371842303.db2.gz JBRFCPSBKPOHKB-KBPBESRZSA-N 1 3 252.427 3.060 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423050912 371935686 /nfs/dbraw/zinc/93/56/86/371935686.db2.gz MHGKKZLEOMBLAI-SUMWQHHRSA-N 1 3 296.405 3.265 20 0 CGADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423052694 371936064 /nfs/dbraw/zinc/93/60/64/371936064.db2.gz RBHZKDUHFQFIBU-BPKGMFCQSA-N 1 3 294.483 3.089 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423053510 371937486 /nfs/dbraw/zinc/93/74/86/371937486.db2.gz SRAZFWXTEWNJBW-MHORFTMASA-N 1 3 288.435 3.156 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(F)cc1Cl ZINC000422953926 371891085 /nfs/dbraw/zinc/89/10/85/371891085.db2.gz HADDVISYNIAVEA-CABCVRRESA-N 1 3 284.806 3.271 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422966567 371894396 /nfs/dbraw/zinc/89/43/96/371894396.db2.gz NTAWFCVXYFSHKW-KFPRQRBHSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422967491 371895833 /nfs/dbraw/zinc/89/58/33/371895833.db2.gz CALHCYCTUQZKHV-VYDXJSESSA-N 1 3 290.451 3.224 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)c2ccccc21 ZINC000422989853 371903352 /nfs/dbraw/zinc/90/33/52/371903352.db2.gz MHIJPEIOWIDWCG-HONMWMINSA-N 1 3 266.335 3.299 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000422998230 371908253 /nfs/dbraw/zinc/90/82/53/371908253.db2.gz WABTUJXAMUOWED-XDNAFOTISA-N 1 3 272.436 3.430 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC000423067506 371943599 /nfs/dbraw/zinc/94/35/99/371943599.db2.gz HJJFDVQGLCWBFD-KBXCAEBGSA-N 1 3 290.451 3.262 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423009842 371914188 /nfs/dbraw/zinc/91/41/88/371914188.db2.gz FCHWNJJEGBQYHT-MLGOLLRUSA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423009842 371914198 /nfs/dbraw/zinc/91/41/98/371914198.db2.gz FCHWNJJEGBQYHT-MLGOLLRUSA-N 1 3 294.389 3.104 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)C1CCCCC1 ZINC000423020894 371918031 /nfs/dbraw/zinc/91/80/31/371918031.db2.gz DCBFSRLHKOJBPN-HIFRSBDPSA-N 1 3 252.446 3.310 20 0 CGADHO Cc1ccsc1CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423017462 371918618 /nfs/dbraw/zinc/91/86/18/371918618.db2.gz ORHRWSGQCWSIRV-LSDHHAIUSA-N 1 3 280.481 3.499 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423021110 371920706 /nfs/dbraw/zinc/92/07/06/371920706.db2.gz BHGPFLIEIXCCMX-GJZGRUSLSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1csc([C@H](C)CN[C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000423037643 371928281 /nfs/dbraw/zinc/92/82/81/371928281.db2.gz NFISQWZXTDCIAP-UMVBOHGHSA-N 1 3 295.496 3.455 20 0 CGADHO CC[C@H](N[C@@H]1CCO[C@@H](CC(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423039626 371928329 /nfs/dbraw/zinc/92/83/29/371928329.db2.gz FTIJWAGOIOUAKQ-QZWWFDLISA-N 1 3 282.472 3.090 20 0 CGADHO CS[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000423039006 371928386 /nfs/dbraw/zinc/92/83/86/371928386.db2.gz ZQZKEFXTXIWIOO-IAQYHMDHSA-N 1 3 295.496 3.277 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423049349 371933077 /nfs/dbraw/zinc/93/30/77/371933077.db2.gz JQNPUAVGNHDFEW-PBHICJAKSA-N 1 3 260.425 3.288 20 0 CGADHO Clc1ccc([C@H]2C[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423100639 371965316 /nfs/dbraw/zinc/96/53/16/371965316.db2.gz VFOKAGYUKDHRNC-ABWAJUOPSA-N 1 3 290.838 3.459 20 0 CGADHO CSc1ccc([C@@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423108117 371969532 /nfs/dbraw/zinc/96/95/32/371969532.db2.gz STALQMWPZPFJRV-SDDRHHMPSA-N 1 3 252.427 3.185 20 0 CGADHO Cc1cc2cc(C[NH2+][C@@H]3CCCCC[C@@H]3N)ccc2[nH]1 ZINC000423116140 371975456 /nfs/dbraw/zinc/97/54/56/371975456.db2.gz ZQOXFPLEJVPWGA-DOTOQJQBSA-N 1 3 271.408 3.226 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000423130222 371982517 /nfs/dbraw/zinc/98/25/17/371982517.db2.gz GFDYFVSJRSKUMC-AXHNFQJDSA-N 1 3 295.430 3.303 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000423130223 371983060 /nfs/dbraw/zinc/98/30/60/371983060.db2.gz GFDYFVSJRSKUMC-AZOIQLNYSA-N 1 3 295.430 3.303 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)c1ccccn1 ZINC000423143134 371988218 /nfs/dbraw/zinc/98/82/18/371988218.db2.gz CKXVMYLGTNIHNX-CVEARBPZSA-N 1 3 289.467 3.260 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423155043 371993786 /nfs/dbraw/zinc/99/37/86/371993786.db2.gz IQTSOQKHFNAOJF-BBCBXFPWSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000423151507 371994384 /nfs/dbraw/zinc/99/43/84/371994384.db2.gz CLIJTONDTHNUKN-OTRWWLKZSA-N 1 3 260.425 3.286 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)C1(O)CCCC1 ZINC000423158185 371996581 /nfs/dbraw/zinc/99/65/81/371996581.db2.gz CIIRFVQHZHITJB-HZPDHXFCSA-N 1 3 296.499 3.218 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)C ZINC000423161619 371996720 /nfs/dbraw/zinc/99/67/20/371996720.db2.gz JJWUKFZIZGHWQQ-VXGBXAGGSA-N 1 3 263.429 3.324 20 0 CGADHO FC1(F)CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000423165789 371997917 /nfs/dbraw/zinc/99/79/17/371997917.db2.gz QIXMNCMTTPEFLQ-RBSFLKMASA-N 1 3 286.410 3.322 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1ccc(Br)cc1 ZINC000423078369 371949303 /nfs/dbraw/zinc/94/93/03/371949303.db2.gz VVVUHKIXGIXQFW-GMTAPVOTSA-N 1 3 285.229 3.226 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423079234 371951839 /nfs/dbraw/zinc/95/18/39/371951839.db2.gz QGMLKLPVBULGLW-XDNAFOTISA-N 1 3 272.436 3.430 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083968 371954254 /nfs/dbraw/zinc/95/42/54/371954254.db2.gz GRRLERKAUSUEKO-DUPGQFARSA-N 1 3 264.388 3.177 20 0 CGADHO Cc1ccc([C@H](N[C@H](C)CCC[NH3+])c2ccccn2)cc1 ZINC000423087338 371954455 /nfs/dbraw/zinc/95/44/55/371954455.db2.gz PFHNGCSSKXGYMQ-QAPCUYQASA-N 1 3 283.419 3.196 20 0 CGADHO Cc1cscc1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423091138 371956406 /nfs/dbraw/zinc/95/64/06/371956406.db2.gz WSXGFQBFFREGRJ-NSHDSACASA-N 1 3 275.421 3.069 20 0 CGADHO COC1CCC(C)(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423089171 371956668 /nfs/dbraw/zinc/95/66/68/371956668.db2.gz UNCDNBMKHFWEQW-JDCHQWLXSA-N 1 3 288.435 3.316 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCCC[NH2+]C ZINC000423197851 372021411 /nfs/dbraw/zinc/02/14/11/372021411.db2.gz BMQLKMITNFQMDL-ZDUSSCGKSA-N 1 3 286.872 3.410 20 0 CGADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423203558 372026981 /nfs/dbraw/zinc/02/69/81/372026981.db2.gz CNASCWQDFOBJQL-GJZGRUSLSA-N 1 3 268.404 3.490 20 0 CGADHO Cc1cc(OCCC[C@H](C)[NH2+][C@H]2CCNC2)ccc1Cl ZINC000423209477 372032274 /nfs/dbraw/zinc/03/22/74/372032274.db2.gz GFEBNUGCISOXDE-KBPBESRZSA-N 1 3 296.842 3.147 20 0 CGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423210903 372032489 /nfs/dbraw/zinc/03/24/89/372032489.db2.gz GQXIVNCGGARBGQ-UAGQMJEPSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)c1cccc(C)c1 ZINC000423210903 372032493 /nfs/dbraw/zinc/03/24/93/372032493.db2.gz GQXIVNCGGARBGQ-UAGQMJEPSA-N 1 3 260.425 3.424 20 0 CGADHO [NH3+]C[C@@H](N[C@@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269598 372046730 /nfs/dbraw/zinc/04/67/30/372046730.db2.gz VXBHQOFVZYCTRV-IAGOWNOFSA-N 1 3 258.409 3.171 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423409373 372061840 /nfs/dbraw/zinc/06/18/40/372061840.db2.gz YVEIGIVUHVQRIN-RLCCDNCMSA-N 1 3 278.827 3.379 20 0 CGADHO CCC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000158113974 372053104 /nfs/dbraw/zinc/05/31/04/372053104.db2.gz IIGOXGVMTLQKOR-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000158113974 372053111 /nfs/dbraw/zinc/05/31/11/372053111.db2.gz IIGOXGVMTLQKOR-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO Clc1cc2c(c(Cl)c1)[C@H](NCC1=CC[NH2+]CC1)CC2 ZINC000423347780 372053946 /nfs/dbraw/zinc/05/39/46/372053946.db2.gz RBWOCRTZXGVKBW-CQSZACIVSA-N 1 3 297.229 3.490 20 0 CGADHO COc1ccccc1[C@H]([NH2+]CC1(N)CCC1)C1CCCC1 ZINC000423334227 372054165 /nfs/dbraw/zinc/05/41/65/372054165.db2.gz SJBJHCVZHRRRJL-QGZVFWFLSA-N 1 3 288.435 3.398 20 0 CGADHO CCC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000158113836 372054518 /nfs/dbraw/zinc/05/45/18/372054518.db2.gz IIGOXGVMTLQKOR-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000158113836 372054523 /nfs/dbraw/zinc/05/45/23/372054523.db2.gz IIGOXGVMTLQKOR-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cccs1 ZINC000159115858 372108768 /nfs/dbraw/zinc/10/87/68/372108768.db2.gz PYFNQCWVCHNXJU-OAHLLOKOSA-N 1 3 296.480 3.290 20 0 CGADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000423468417 372067479 /nfs/dbraw/zinc/06/74/79/372067479.db2.gz BXTLHMQDKWKGSK-STQMWFEESA-N 1 3 293.480 3.205 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158682455 372079418 /nfs/dbraw/zinc/07/94/18/372079418.db2.gz BCZCNNWIMROLTP-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158682455 372079423 /nfs/dbraw/zinc/07/94/23/372079423.db2.gz BCZCNNWIMROLTP-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158682455 372079432 /nfs/dbraw/zinc/07/94/32/372079432.db2.gz BCZCNNWIMROLTP-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158682455 372079437 /nfs/dbraw/zinc/07/94/37/372079437.db2.gz BCZCNNWIMROLTP-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO C[C@@H]1CC2(CN1Cc1sccc1Cl)CC[NH2+]CC2 ZINC000424301607 372081851 /nfs/dbraw/zinc/08/18/51/372081851.db2.gz XTZJTIZLSIROLK-LLVKDONJSA-N 1 3 284.856 3.366 20 0 CGADHO C[C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000424364438 372085527 /nfs/dbraw/zinc/08/55/27/372085527.db2.gz DRXUNLSYMOXYFM-NILFDRSVSA-N 1 3 266.816 3.303 20 0 CGADHO CSc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424372573 372085731 /nfs/dbraw/zinc/08/57/31/372085731.db2.gz ICSXZUKYJSTPBQ-IACUBPJLSA-N 1 3 264.438 3.329 20 0 CGADHO CC(C)CCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000429050256 372309381 /nfs/dbraw/zinc/30/93/81/372309381.db2.gz SCQMREQRQZCPHI-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)CCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000429050256 372309383 /nfs/dbraw/zinc/30/93/83/372309383.db2.gz SCQMREQRQZCPHI-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000429050256 372309387 /nfs/dbraw/zinc/30/93/87/372309387.db2.gz SCQMREQRQZCPHI-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCN2C)C1(CC)CC ZINC000429348688 372353896 /nfs/dbraw/zinc/35/38/96/372353896.db2.gz KWCLDBXYUVPDAW-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000293341521 372359504 /nfs/dbraw/zinc/35/95/04/372359504.db2.gz GOOOOFPHBWKGSI-STQMWFEESA-N 1 3 266.454 3.257 20 0 CGADHO NC[C@@H]1CC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000430919713 372405475 /nfs/dbraw/zinc/40/54/75/372405475.db2.gz RMDLAEAFJJKDIG-HNNXBMFYSA-N 1 3 268.404 3.053 20 0 CGADHO NC[C@@H]1CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430919713 372405480 /nfs/dbraw/zinc/40/54/80/372405480.db2.gz RMDLAEAFJJKDIG-HNNXBMFYSA-N 1 3 268.404 3.053 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccco1 ZINC000293709919 372457147 /nfs/dbraw/zinc/45/71/47/372457147.db2.gz MRZFGRNSLKGCOJ-AWEZNQCLSA-N 1 3 250.386 3.196 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)Cc1ccc(O)cc1)N1CCCCC1 ZINC000293746995 372468670 /nfs/dbraw/zinc/46/86/70/372468670.db2.gz XTSDTPHAKNNAAX-JKSUJKDBSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](CCN[C@@H](C)Cc1ccc(O)cc1)[NH+]1CCCCC1 ZINC000293746995 372468674 /nfs/dbraw/zinc/46/86/74/372468674.db2.gz XTSDTPHAKNNAAX-JKSUJKDBSA-N 1 3 290.451 3.177 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(Cl)c1 ZINC000166001786 372561536 /nfs/dbraw/zinc/56/15/36/372561536.db2.gz VKIYWGKZZZPCKB-XJKSGUPXSA-N 1 3 298.858 3.347 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Cl)cc1 ZINC000166036217 372562265 /nfs/dbraw/zinc/56/22/65/372562265.db2.gz STUZQWPXQIOAGO-CJNGLKHVSA-N 1 3 298.858 3.347 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC[C@]2(C)CCCO2)CC1 ZINC000167089555 372588367 /nfs/dbraw/zinc/58/83/67/372588367.db2.gz VTGUGHUPKKKHEB-JQHSSLGASA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000167089555 372588374 /nfs/dbraw/zinc/58/83/74/372588374.db2.gz VTGUGHUPKKKHEB-JQHSSLGASA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000353503316 220122688 /nfs/dbraw/zinc/12/26/88/220122688.db2.gz OKMWYKUYPIVRPB-WDSOQIARSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000353503316 220122690 /nfs/dbraw/zinc/12/26/90/220122690.db2.gz OKMWYKUYPIVRPB-WDSOQIARSA-N 1 3 295.430 3.197 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000353503316 220122691 /nfs/dbraw/zinc/12/26/91/220122691.db2.gz OKMWYKUYPIVRPB-WDSOQIARSA-N 1 3 295.430 3.197 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000442780557 373077976 /nfs/dbraw/zinc/07/79/76/373077976.db2.gz NZRLJYCHADGVRR-CVEARBPZSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780557 373077984 /nfs/dbraw/zinc/07/79/84/373077984.db2.gz NZRLJYCHADGVRR-CVEARBPZSA-N 1 3 282.431 3.442 20 0 CGADHO Cc1cc([C@H](C)NCC2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000447548691 373450140 /nfs/dbraw/zinc/45/01/40/373450140.db2.gz BSHGIBWYQGXKAW-ZDUSSCGKSA-N 1 3 276.424 3.421 20 0 CGADHO C[NH+](C)CCCCNCc1ccc(-c2ccccc2)o1 ZINC000299357546 373515549 /nfs/dbraw/zinc/51/55/49/373515549.db2.gz TXWNFTGOGFZDOY-UHFFFAOYSA-N 1 3 272.392 3.378 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000300078579 373617882 /nfs/dbraw/zinc/61/78/82/373617882.db2.gz MBLWCMUHBLLFKB-QSPRXWTASA-N 1 3 262.441 3.195 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000449133560 373663753 /nfs/dbraw/zinc/66/37/53/373663753.db2.gz YXKGXIRFXKKCBX-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732783 373704048 /nfs/dbraw/zinc/70/40/48/373704048.db2.gz UAKWVYMINKGFBZ-CXAGYDPISA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732783 373704052 /nfs/dbraw/zinc/70/40/52/373704052.db2.gz UAKWVYMINKGFBZ-CXAGYDPISA-N 1 3 276.399 3.087 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029624 373737588 /nfs/dbraw/zinc/73/75/88/373737588.db2.gz VNUNHPVGLPBCEL-WMLDXEAASA-N 1 3 272.436 3.340 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029624 373737597 /nfs/dbraw/zinc/73/75/97/373737597.db2.gz VNUNHPVGLPBCEL-WMLDXEAASA-N 1 3 272.436 3.340 20 0 CGADHO CC(C)[C@H](N)CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380987 373859574 /nfs/dbraw/zinc/85/95/74/373859574.db2.gz IHIDUNZUMDJHSF-CHWSQXEVSA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@H](N)CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380987 373859579 /nfs/dbraw/zinc/85/95/79/373859579.db2.gz IHIDUNZUMDJHSF-CHWSQXEVSA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380987 373859583 /nfs/dbraw/zinc/85/95/83/373859583.db2.gz IHIDUNZUMDJHSF-CHWSQXEVSA-N 1 3 262.388 3.117 20 0 CGADHO CCc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000450343956 374072246 /nfs/dbraw/zinc/07/22/46/374072246.db2.gz GCXZMUPAWJADJW-INIZCTEOSA-N 1 3 273.424 3.099 20 0 CGADHO CCSCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000305941398 374123621 /nfs/dbraw/zinc/12/36/21/374123621.db2.gz BFHQUWZZDKIZMH-UONOGXRCSA-N 1 3 258.475 3.030 20 0 CGADHO FC1(F)CC[C@H](CN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437544 374129601 /nfs/dbraw/zinc/12/96/01/374129601.db2.gz LBQPKCUEUYLTJU-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000450437544 374129606 /nfs/dbraw/zinc/12/96/06/374129606.db2.gz LBQPKCUEUYLTJU-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000450437544 374129610 /nfs/dbraw/zinc/12/96/10/374129610.db2.gz LBQPKCUEUYLTJU-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1cccc(Br)c1)CN(C)C ZINC000310196407 374210157 /nfs/dbraw/zinc/21/01/57/374210157.db2.gz ANJHMCXPXCNPIA-VXGBXAGGSA-N 1 3 299.256 3.297 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1)CN(C)C ZINC000310240918 374212107 /nfs/dbraw/zinc/21/21/07/374212107.db2.gz LTKHEJBMUDFNSG-VXGBXAGGSA-N 1 3 299.256 3.297 20 0 CGADHO CCc1oc2ccccc2c1C[NH2+]C[C@H](C)CN(C)C ZINC000312476061 374280283 /nfs/dbraw/zinc/28/02/83/374280283.db2.gz HMIAGMIGEGNDSJ-ZDUSSCGKSA-N 1 3 274.408 3.283 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802630 374333022 /nfs/dbraw/zinc/33/30/22/374333022.db2.gz BCPYFMHWAJEZMQ-KBXCAEBGSA-N 1 3 297.446 3.477 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802630 374333024 /nfs/dbraw/zinc/33/30/24/374333024.db2.gz BCPYFMHWAJEZMQ-KBXCAEBGSA-N 1 3 297.446 3.477 20 0 CGADHO Fc1ccc(CC2([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000453345436 374436846 /nfs/dbraw/zinc/43/68/46/374436846.db2.gz JZTBCGZVUBHAQC-IAGOWNOFSA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453345436 374436837 /nfs/dbraw/zinc/43/68/37/374436837.db2.gz JZTBCGZVUBHAQC-IAGOWNOFSA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453345436 374436842 /nfs/dbraw/zinc/43/68/42/374436842.db2.gz JZTBCGZVUBHAQC-IAGOWNOFSA-N 1 3 288.410 3.117 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453344943 374436576 /nfs/dbraw/zinc/43/65/76/374436576.db2.gz JLXPKAACGYPYTR-MUSFGAPCSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453344943 374436585 /nfs/dbraw/zinc/43/65/85/374436585.db2.gz JLXPKAACGYPYTR-MUSFGAPCSA-N 1 3 270.420 3.197 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000184569097 374539457 /nfs/dbraw/zinc/53/94/57/374539457.db2.gz CXEUUJMKZZQPSG-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000090887329 541965640 /nfs/dbraw/zinc/96/56/40/541965640.db2.gz HRJUUVFXQNDZRN-ABAIWWIYSA-N 1 3 279.428 3.062 20 0 CGADHO CC(C)=CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000188445325 375216793 /nfs/dbraw/zinc/21/67/93/375216793.db2.gz SGGHYTHDNWXKCM-CEXWTWQISA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000188445325 375216797 /nfs/dbraw/zinc/21/67/97/375216797.db2.gz SGGHYTHDNWXKCM-CEXWTWQISA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000188445325 375216802 /nfs/dbraw/zinc/21/68/02/375216802.db2.gz SGGHYTHDNWXKCM-CEXWTWQISA-N 1 3 284.447 3.453 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000335197016 375219173 /nfs/dbraw/zinc/21/91/73/375219173.db2.gz PAOYGFQIUXIMTQ-IAGOWNOFSA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000488447356 375309920 /nfs/dbraw/zinc/30/99/20/375309920.db2.gz IWBOXEYOXJHFLC-GTPINHCMSA-N 1 3 266.473 3.379 20 0 CGADHO C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)CN(C)C ZINC000491559346 375331085 /nfs/dbraw/zinc/33/10/85/375331085.db2.gz KJSOHIMCRMFKSI-PNESKVBLSA-N 1 3 280.378 3.142 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052600 375473618 /nfs/dbraw/zinc/47/36/18/375473618.db2.gz IDSFYSZCIFVSOC-RDJZCZTQSA-N 1 3 292.492 3.334 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052600 375473623 /nfs/dbraw/zinc/47/36/23/375473623.db2.gz IDSFYSZCIFVSOC-RDJZCZTQSA-N 1 3 292.492 3.334 20 0 CGADHO CCC(CC)c1cc(CN[C@@H](C)C2CC[NH+](C)CC2)on1 ZINC000121242697 542016889 /nfs/dbraw/zinc/01/68/89/542016889.db2.gz VHYLBDGQEMMVOX-ZDUSSCGKSA-N 1 3 293.455 3.398 20 0 CGADHO COc1cccc(F)c1[C@@H](C)N[C@H](C)C1CC[NH+](C)CC1 ZINC000122528380 542024531 /nfs/dbraw/zinc/02/45/31/542024531.db2.gz PLWGOQQBKJHHSU-CHWSQXEVSA-N 1 3 294.414 3.215 20 0 CGADHO CCN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123891138 542029188 /nfs/dbraw/zinc/02/91/88/542029188.db2.gz WPUNDRYZUNKMQJ-UHFFFAOYSA-N 1 3 280.415 3.354 20 0 CGADHO FC(F)C1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000336406190 375791011 /nfs/dbraw/zinc/79/10/11/375791011.db2.gz FDIBUJVCQIQLMP-HOAMVYINSA-N 1 3 272.383 3.027 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1Cl ZINC000520935320 375872256 /nfs/dbraw/zinc/87/22/56/375872256.db2.gz QFRZPDBIVKNSSR-NWDGAFQWSA-N 1 3 284.831 3.197 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000193911069 375937892 /nfs/dbraw/zinc/93/78/92/375937892.db2.gz QXMCYVRXPYSPEY-IAGOWNOFSA-N 1 3 292.492 3.382 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCSCc2ccccc2)C1 ZINC000193911069 375937898 /nfs/dbraw/zinc/93/78/98/375937898.db2.gz QXMCYVRXPYSPEY-IAGOWNOFSA-N 1 3 292.492 3.382 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000536859002 376138129 /nfs/dbraw/zinc/13/81/29/376138129.db2.gz SHQFSVHOIKRYBS-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618592 376183694 /nfs/dbraw/zinc/18/36/94/376183694.db2.gz FGLBEXVFHJFSHC-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618592 376183700 /nfs/dbraw/zinc/18/37/00/376183700.db2.gz FGLBEXVFHJFSHC-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO CC(C)OC[C@H](C)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000337340229 376214575 /nfs/dbraw/zinc/21/45/75/376214575.db2.gz PFQJOKKPPGYPNX-DLBZAZTESA-N 1 3 292.467 3.300 20 0 CGADHO CC(C)OC[C@H](C)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000337340229 376214581 /nfs/dbraw/zinc/21/45/81/376214581.db2.gz PFQJOKKPPGYPNX-DLBZAZTESA-N 1 3 292.467 3.300 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000221917150 376224208 /nfs/dbraw/zinc/22/42/08/376224208.db2.gz OYALDLXOTQAEGU-ZDUSSCGKSA-N 1 3 254.443 3.437 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751263 376266713 /nfs/dbraw/zinc/26/67/13/376266713.db2.gz YNGZSOGDAHMXGG-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751263 376266721 /nfs/dbraw/zinc/26/67/21/376266721.db2.gz YNGZSOGDAHMXGG-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO FC1(F)CCC[C@@H](CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000338319770 376332464 /nfs/dbraw/zinc/33/24/64/376332464.db2.gz RRZDYEUGOWNIOR-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000338319770 376332474 /nfs/dbraw/zinc/33/24/74/376332474.db2.gz RRZDYEUGOWNIOR-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000338319770 376332482 /nfs/dbraw/zinc/33/24/82/376332482.db2.gz RRZDYEUGOWNIOR-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCNC1 ZINC000226436236 376359752 /nfs/dbraw/zinc/35/97/52/376359752.db2.gz PSRCWPGJXGSCDW-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CCCNC1 ZINC000226436236 376359753 /nfs/dbraw/zinc/35/97/53/376359753.db2.gz PSRCWPGJXGSCDW-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@H](c1ccccc1)N(CC)C[C@@H]1CCC[NH2+]C1 ZINC000226436236 376359756 /nfs/dbraw/zinc/35/97/56/376359756.db2.gz PSRCWPGJXGSCDW-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO Cc1ccc([C@@H](C)N(C)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000226435702 376360649 /nfs/dbraw/zinc/36/06/49/376360649.db2.gz XPNOXJNJGWAFNA-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCCNC2)c(C)c1 ZINC000226435702 376360656 /nfs/dbraw/zinc/36/06/56/376360656.db2.gz XPNOXJNJGWAFNA-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCNC2)c(C)c1 ZINC000226435702 376360664 /nfs/dbraw/zinc/36/06/64/376360664.db2.gz XPNOXJNJGWAFNA-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000226831359 376375205 /nfs/dbraw/zinc/37/52/05/376375205.db2.gz FANVVYSXIZNYQC-JKJDWNRSSA-N 1 3 250.430 3.028 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000227074017 376380660 /nfs/dbraw/zinc/38/06/60/376380660.db2.gz MWPBOZIIABZAET-HOTGVXAUSA-N 1 3 260.425 3.171 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@@H+]2C[C@@H](CN)C[C@@H]2C)c(C)c1 ZINC000228079755 376426887 /nfs/dbraw/zinc/42/68/87/376426887.db2.gz ZTVBCRVADKMKDF-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@H+]2C[C@@H](CN)C[C@@H]2C)c(C)c1 ZINC000228079755 376426891 /nfs/dbraw/zinc/42/68/91/376426891.db2.gz ZTVBCRVADKMKDF-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000228809279 376449808 /nfs/dbraw/zinc/44/98/08/376449808.db2.gz MUOCDVNVMUCJTI-OLZOCXBDSA-N 1 3 280.378 3.427 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)C/C=C/c2ccc(F)cc2F)C1 ZINC000541773176 376481091 /nfs/dbraw/zinc/48/10/91/376481091.db2.gz QJTNKDOIAZSCQR-YVARQFDVSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccc(F)cc2F)C1 ZINC000541773176 376481099 /nfs/dbraw/zinc/48/10/99/376481099.db2.gz QJTNKDOIAZSCQR-YVARQFDVSA-N 1 3 294.389 3.252 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](CN(C)CC)C2)C1 ZINC000541536096 376454518 /nfs/dbraw/zinc/45/45/18/376454518.db2.gz YAJHHHDRQUZRAX-BRWVUGGUSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](CN(C)CC)C2)C1 ZINC000541536096 376454521 /nfs/dbraw/zinc/45/45/21/376454521.db2.gz YAJHHHDRQUZRAX-BRWVUGGUSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CC[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000338793814 376537656 /nfs/dbraw/zinc/53/76/56/376537656.db2.gz OKPQNQWTOYDRQN-MRXNPFEDSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@H]([NH2+]CCOCCN(C)C)c1cccc2ccccc21 ZINC000231787028 376573058 /nfs/dbraw/zinc/57/30/58/376573058.db2.gz WTZHURXAIXXJHN-HNNXBMFYSA-N 1 3 286.419 3.069 20 0 CGADHO CC(C)C1CC([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000232536825 376583052 /nfs/dbraw/zinc/58/30/52/376583052.db2.gz ILKZZEXJTLAQSX-QQFBHYJXSA-N 1 3 252.446 3.275 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N(C)C[C@@H]1CCC[NH2+]C1 ZINC000235030471 376628800 /nfs/dbraw/zinc/62/88/00/376628800.db2.gz JSZVHWMHUIHLMR-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@@H]1CCCNC1 ZINC000235030471 376628807 /nfs/dbraw/zinc/62/88/07/376628807.db2.gz JSZVHWMHUIHLMR-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@@H]1CCCNC1 ZINC000235030471 376628815 /nfs/dbraw/zinc/62/88/15/376628815.db2.gz JSZVHWMHUIHLMR-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](NCCCC[NH3+])c1cccc(Cl)c1Cl ZINC000235513350 376644082 /nfs/dbraw/zinc/64/40/82/376644082.db2.gz HLXCUYWSNPMGTL-VIFPVBQESA-N 1 3 261.196 3.383 20 0 CGADHO Cc1sccc1CNCc1ccc(C[NH+](C)C)cc1 ZINC000339171652 376724003 /nfs/dbraw/zinc/72/40/03/376724003.db2.gz SNNUZABUVHUQIX-UHFFFAOYSA-N 1 3 274.433 3.408 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCOCC1 ZINC000544373250 376727316 /nfs/dbraw/zinc/72/73/16/376727316.db2.gz LFASDIHNWPXOKD-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000544023127 376695059 /nfs/dbraw/zinc/69/50/59/376695059.db2.gz FFQFGDVWLATSPG-KBMXLJTQSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000544023127 376695060 /nfs/dbraw/zinc/69/50/60/376695060.db2.gz FFQFGDVWLATSPG-KBMXLJTQSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544023127 376695063 /nfs/dbraw/zinc/69/50/63/376695063.db2.gz FFQFGDVWLATSPG-KBMXLJTQSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000544023127 376695065 /nfs/dbraw/zinc/69/50/65/376695065.db2.gz FFQFGDVWLATSPG-KBMXLJTQSA-N 1 3 278.465 3.095 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000544895523 376769926 /nfs/dbraw/zinc/76/99/26/376769926.db2.gz YOFKXYRSSMNGSP-HZPDHXFCSA-N 1 3 254.462 3.476 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000544895523 376769927 /nfs/dbraw/zinc/76/99/27/376769927.db2.gz YOFKXYRSSMNGSP-HZPDHXFCSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)C1 ZINC000245538219 376844804 /nfs/dbraw/zinc/84/48/04/376844804.db2.gz MSNQLKFUAQWSJW-LTIDMASMSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)C1 ZINC000245538219 376844810 /nfs/dbraw/zinc/84/48/10/376844810.db2.gz MSNQLKFUAQWSJW-LTIDMASMSA-N 1 3 264.457 3.229 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709681 376887624 /nfs/dbraw/zinc/88/76/24/376887624.db2.gz FSBLQJZRGGVIOG-LRDDRELGSA-N 1 3 282.378 3.127 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245709681 376887630 /nfs/dbraw/zinc/88/76/30/376887630.db2.gz FSBLQJZRGGVIOG-LRDDRELGSA-N 1 3 282.378 3.127 20 0 CGADHO C1=CC[C@@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000245724668 376891397 /nfs/dbraw/zinc/89/13/97/376891397.db2.gz IOSKXMLOJTWTDY-SJORKVTESA-N 1 3 262.441 3.151 20 0 CGADHO C1=CC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000245724668 376891406 /nfs/dbraw/zinc/89/14/06/376891406.db2.gz IOSKXMLOJTWTDY-SJORKVTESA-N 1 3 262.441 3.151 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000245951248 376942290 /nfs/dbraw/zinc/94/22/90/376942290.db2.gz CBEMGQCTRLMUGO-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000245951248 376942295 /nfs/dbraw/zinc/94/22/95/376942295.db2.gz CBEMGQCTRLMUGO-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000245951248 376942299 /nfs/dbraw/zinc/94/22/99/376942299.db2.gz CBEMGQCTRLMUGO-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000246112391 376969624 /nfs/dbraw/zinc/96/96/24/376969624.db2.gz CEVFCDRLMMKMOA-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000246112391 376969628 /nfs/dbraw/zinc/96/96/28/376969628.db2.gz CEVFCDRLMMKMOA-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112391 376969631 /nfs/dbraw/zinc/96/96/31/376969631.db2.gz CEVFCDRLMMKMOA-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000246112391 376969636 /nfs/dbraw/zinc/96/96/36/376969636.db2.gz CEVFCDRLMMKMOA-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(C)c1 ZINC000246441606 377031054 /nfs/dbraw/zinc/03/10/54/377031054.db2.gz OOLXYAUBXAAGPR-GVDBMIGSSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(C)c1 ZINC000246441606 377031062 /nfs/dbraw/zinc/03/10/62/377031062.db2.gz OOLXYAUBXAAGPR-GVDBMIGSSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000246886892 377112610 /nfs/dbraw/zinc/11/26/10/377112610.db2.gz FFUBXIHNJJPGES-HLLBOEOZSA-N 1 3 260.425 3.122 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000246886892 377112619 /nfs/dbraw/zinc/11/26/19/377112619.db2.gz FFUBXIHNJJPGES-HLLBOEOZSA-N 1 3 260.425 3.122 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Sc2ccccc2)[C@@H](C)C1 ZINC000246912711 377116676 /nfs/dbraw/zinc/11/66/76/377116676.db2.gz FTPWXMSGEOTARI-UXLLHSPISA-N 1 3 292.492 3.487 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Sc2ccccc2)[C@@H](C)C1 ZINC000246912711 377116685 /nfs/dbraw/zinc/11/66/85/377116685.db2.gz FTPWXMSGEOTARI-UXLLHSPISA-N 1 3 292.492 3.487 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559244436 377075709 /nfs/dbraw/zinc/07/57/09/377075709.db2.gz POBWGMNPTVXCBA-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO CCCC[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247102573 377159458 /nfs/dbraw/zinc/15/94/58/377159458.db2.gz SMOHHQODRKQEIR-JYJNAYRXSA-N 1 3 270.461 3.044 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000247207648 377176829 /nfs/dbraw/zinc/17/68/29/377176829.db2.gz WSVWWARSUADMEW-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO FCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248396960 377305747 /nfs/dbraw/zinc/30/57/47/377305747.db2.gz HNRUIYWLNUKCBM-FGTMMUONSA-N 1 3 290.426 3.236 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)CCc1ccc(Cl)s1 ZINC000562956072 377377171 /nfs/dbraw/zinc/37/71/71/377377171.db2.gz BCWPHRMZSWYYDX-NSHDSACASA-N 1 3 274.861 3.312 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000094896155 249043466 /nfs/dbraw/zinc/04/34/66/249043466.db2.gz HRCWZKSMZAXXPG-GOSISDBHSA-N 1 3 274.452 3.317 20 0 CGADHO Cc1cc(C)cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166678413 542174675 /nfs/dbraw/zinc/17/46/75/542174675.db2.gz HQLSGMHRVLPHNK-ZWKOTPCHSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cc(C)cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166678413 542174678 /nfs/dbraw/zinc/17/46/78/542174678.db2.gz HQLSGMHRVLPHNK-ZWKOTPCHSA-N 1 3 272.436 3.062 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cccs1 ZINC000166705945 542174936 /nfs/dbraw/zinc/17/49/36/542174936.db2.gz AEQWBBHDBYSHFD-RRFJBIMHSA-N 1 3 278.465 3.143 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cccs1 ZINC000166705945 542174940 /nfs/dbraw/zinc/17/49/40/542174940.db2.gz AEQWBBHDBYSHFD-RRFJBIMHSA-N 1 3 278.465 3.143 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000422907546 249127101 /nfs/dbraw/zinc/12/71/01/249127101.db2.gz LOQXHTUGQWSMPZ-OLZOCXBDSA-N 1 3 280.843 3.477 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422907546 249127104 /nfs/dbraw/zinc/12/71/04/249127104.db2.gz LOQXHTUGQWSMPZ-OLZOCXBDSA-N 1 3 280.843 3.477 20 0 CGADHO CCc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250261898 377557340 /nfs/dbraw/zinc/55/73/40/377557340.db2.gz DGJREHZYNUWBJG-RCCFBDPRSA-N 1 3 272.436 3.259 20 0 CGADHO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(C)(C)N)cc1 ZINC000469879173 249161705 /nfs/dbraw/zinc/16/17/05/249161705.db2.gz ILHJPOUIIAGYEV-INIZCTEOSA-N 1 3 276.424 3.350 20 0 CGADHO COc1ccc([C@@H]2CCCCC[N@H+]2CC(C)(C)N)cc1 ZINC000469879173 249161709 /nfs/dbraw/zinc/16/17/09/249161709.db2.gz ILHJPOUIIAGYEV-INIZCTEOSA-N 1 3 276.424 3.350 20 0 CGADHO CC(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000250602149 377563970 /nfs/dbraw/zinc/56/39/70/377563970.db2.gz SONWDVKUODEXSM-ARFHVFGLSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000251147042 377574500 /nfs/dbraw/zinc/57/45/00/377574500.db2.gz XRIRDONVVQURLC-JTUUTPGSSA-N 1 3 258.409 3.005 20 0 CGADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000251368157 377580752 /nfs/dbraw/zinc/58/07/52/377580752.db2.gz WQPSTRNGMOVOOT-KLHDSHLOSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251181801 377576562 /nfs/dbraw/zinc/57/65/62/377576562.db2.gz HUDFYOCXIXNLOA-RCCFBDPRSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000251609987 377590416 /nfs/dbraw/zinc/59/04/16/377590416.db2.gz CZKHMNNQUGZHSU-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000251609987 377590422 /nfs/dbraw/zinc/59/04/22/377590422.db2.gz CZKHMNNQUGZHSU-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000251609987 377590431 /nfs/dbraw/zinc/59/04/31/377590431.db2.gz CZKHMNNQUGZHSU-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cc2c(s1)CCCC2 ZINC000517553742 249266990 /nfs/dbraw/zinc/26/69/90/249266990.db2.gz QJUISNOIGPSRPJ-IUODEOHRSA-N 1 3 278.465 3.105 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCCC[NH+]1CCCCC1 ZINC000180534700 542211506 /nfs/dbraw/zinc/21/15/06/542211506.db2.gz YINNPDXNGSZTGZ-AWEZNQCLSA-N 1 3 278.444 3.025 20 0 CGADHO CC/C=C\CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000342202639 377633838 /nfs/dbraw/zinc/63/38/38/377633838.db2.gz NRRYHTGSLDBEFO-MJSXRHKHSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C\CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000342202639 377633847 /nfs/dbraw/zinc/63/38/47/377633847.db2.gz NRRYHTGSLDBEFO-MJSXRHKHSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C\CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000342202639 377633855 /nfs/dbraw/zinc/63/38/55/377633855.db2.gz NRRYHTGSLDBEFO-MJSXRHKHSA-N 1 3 250.430 3.151 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000422781306 295234299 /nfs/dbraw/zinc/23/42/99/295234299.db2.gz LPAQKRABGPYJPP-IIDMSEBBSA-N 1 3 290.451 3.167 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCc3ccccc3C2)c2ccccc21 ZINC000252776328 377661294 /nfs/dbraw/zinc/66/12/94/377661294.db2.gz KLOQKNXTQKBHQB-KFKAGJAMSA-N 1 3 278.399 3.278 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)[C@@H]1CCCNC1 ZINC000574747790 377703707 /nfs/dbraw/zinc/70/37/07/377703707.db2.gz HUDFWANEXHLTAE-BHYGNILZSA-N 1 3 272.436 3.084 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257645701 377797324 /nfs/dbraw/zinc/79/73/24/377797324.db2.gz CBEPCJIWLXHQHS-SFHVURJKSA-N 1 3 272.436 3.003 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)N ZINC000261950791 377871693 /nfs/dbraw/zinc/87/16/93/377871693.db2.gz NYNLEOOMUHWUNW-CQSZACIVSA-N 1 3 252.377 3.192 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)N ZINC000261950791 377871698 /nfs/dbraw/zinc/87/16/98/377871698.db2.gz NYNLEOOMUHWUNW-CQSZACIVSA-N 1 3 252.377 3.192 20 0 CGADHO CCN(CCSCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262032146 377880004 /nfs/dbraw/zinc/88/00/04/377880004.db2.gz XFJLIFSCDOJCLV-KRWDZBQOSA-N 1 3 292.492 3.384 20 0 CGADHO CN(Cc1cccc2cnccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000183092696 542228830 /nfs/dbraw/zinc/22/88/30/542228830.db2.gz TXMXWWLDJPUJHZ-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CN(Cc1cccc2cnccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000183092696 542228833 /nfs/dbraw/zinc/22/88/33/542228833.db2.gz TXMXWWLDJPUJHZ-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823153 377857166 /nfs/dbraw/zinc/85/71/66/377857166.db2.gz INXCCGLMKONKSX-MBNYWOFBSA-N 1 3 266.816 3.113 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000343622465 378044238 /nfs/dbraw/zinc/04/42/38/378044238.db2.gz VMXJYEMDWLPNJX-BBWFWOEESA-N 1 3 264.457 3.300 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890326 378020957 /nfs/dbraw/zinc/02/09/57/378020957.db2.gz CCLXFLBFRHOMQR-BBWFWOEESA-N 1 3 294.483 3.140 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000577890326 378020964 /nfs/dbraw/zinc/02/09/64/378020964.db2.gz CCLXFLBFRHOMQR-BBWFWOEESA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@H](NCCCC[NH+](C)C)c1cc(F)ccc1F ZINC000268881165 378141438 /nfs/dbraw/zinc/14/14/38/378141438.db2.gz FJHRPFOLTMWZMZ-HNNXBMFYSA-N 1 3 270.367 3.347 20 0 CGADHO CC(C)COc1cccc(CNCC2=CC[N@H+](C)CC2)c1 ZINC000345174676 378213396 /nfs/dbraw/zinc/21/33/96/378213396.db2.gz ZHVBNBBHYAOQEE-UHFFFAOYSA-N 1 3 288.435 3.073 20 0 CGADHO CC(C)COc1cccc(CNCC2=CC[N@@H+](C)CC2)c1 ZINC000345174676 378213399 /nfs/dbraw/zinc/21/33/99/378213399.db2.gz ZHVBNBBHYAOQEE-UHFFFAOYSA-N 1 3 288.435 3.073 20 0 CGADHO CCN(CCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000345188494 378218600 /nfs/dbraw/zinc/21/86/00/378218600.db2.gz KVHNWRGNDYEKFB-HNNXBMFYSA-N 1 3 296.842 3.183 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903817 378267098 /nfs/dbraw/zinc/26/70/98/378267098.db2.gz YAKQCZYSURKBQU-DTZQCDIJSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903817 378267105 /nfs/dbraw/zinc/26/71/05/378267105.db2.gz YAKQCZYSURKBQU-DTZQCDIJSA-N 1 3 278.827 3.446 20 0 CGADHO c1cn(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000269979652 378289600 /nfs/dbraw/zinc/28/96/00/378289600.db2.gz QRTUARUKYQDWAT-ROUUACIJSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000269979652 378289608 /nfs/dbraw/zinc/28/96/08/378289608.db2.gz QRTUARUKYQDWAT-ROUUACIJSA-N 1 3 297.446 3.248 20 0 CGADHO c1cn(CCC[NH2+][C@H]2CCN3CCC[C@H]3C2)c2ccccc12 ZINC000269979652 378289619 /nfs/dbraw/zinc/28/96/19/378289619.db2.gz QRTUARUKYQDWAT-ROUUACIJSA-N 1 3 297.446 3.248 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)c1cccc(Cl)c1 ZINC000580725143 378253086 /nfs/dbraw/zinc/25/30/86/378253086.db2.gz OOCCJOBQLBYPSI-CABCVRRESA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000580725143 378253089 /nfs/dbraw/zinc/25/30/89/378253089.db2.gz OOCCJOBQLBYPSI-CABCVRRESA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000580766594 378257042 /nfs/dbraw/zinc/25/70/42/378257042.db2.gz MAYBTOHTMBYDOV-RDJZCZTQSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2cccc(F)c2)C1 ZINC000580766595 378257102 /nfs/dbraw/zinc/25/71/02/378257102.db2.gz MAYBTOHTMBYDOV-WBVHZDCISA-N 1 3 292.442 3.467 20 0 CGADHO C[NH+]1CCC([C@H]2CCN(c3ccnc4ccccc43)C2)CC1 ZINC000270253808 378326750 /nfs/dbraw/zinc/32/67/50/378326750.db2.gz YNXXMEPAVVWUIC-INIZCTEOSA-N 1 3 295.430 3.403 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]CC1(N)CCCCCC1 ZINC000583859435 378354403 /nfs/dbraw/zinc/35/44/03/378354403.db2.gz VYMGNLPHGXFYPJ-CYBMUJFWSA-N 1 3 266.454 3.320 20 0 CGADHO C[C@H](Cc1ccsc1)NCC1([NH3+])CCCCCC1 ZINC000583859435 378354405 /nfs/dbraw/zinc/35/44/05/378354405.db2.gz VYMGNLPHGXFYPJ-CYBMUJFWSA-N 1 3 266.454 3.320 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)CCC2 ZINC000271917295 378516049 /nfs/dbraw/zinc/51/60/49/378516049.db2.gz ZEXHXOYBNMLAJV-CQSZACIVSA-N 1 3 270.420 3.088 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000271952742 378528276 /nfs/dbraw/zinc/52/82/76/378528276.db2.gz DYCXYUVXUXGJEW-BMHOQUIDSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000271952742 378528284 /nfs/dbraw/zinc/52/82/84/378528284.db2.gz DYCXYUVXUXGJEW-BMHOQUIDSA-N 1 3 284.447 3.323 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000346477706 378590114 /nfs/dbraw/zinc/59/01/14/378590114.db2.gz IQFLMCSGOHZIKQ-INIZCTEOSA-N 1 3 290.451 3.295 20 0 CGADHO CC(CN(C)CC1CCC1)C[N@H+](C)CC1CCC1 ZINC000346641417 378657537 /nfs/dbraw/zinc/65/75/37/378657537.db2.gz KJOOQZHVOWLJRB-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO CC(CN(C)CC1CCC1)C[N@@H+](C)CC1CCC1 ZINC000346641417 378657545 /nfs/dbraw/zinc/65/75/45/378657545.db2.gz KJOOQZHVOWLJRB-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000346966103 378699434 /nfs/dbraw/zinc/69/94/34/378699434.db2.gz CNPBOSJFKYAAHE-CKEIUWERSA-N 1 3 276.399 3.208 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346849979 378694152 /nfs/dbraw/zinc/69/41/52/378694152.db2.gz HIOSRQXLPQAOPN-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346849979 378694156 /nfs/dbraw/zinc/69/41/56/378694156.db2.gz HIOSRQXLPQAOPN-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346849979 378694161 /nfs/dbraw/zinc/69/41/61/378694161.db2.gz HIOSRQXLPQAOPN-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO CC(C)[C@@H](CNCCC[C@@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349555 378774685 /nfs/dbraw/zinc/77/46/85/378774685.db2.gz QBARLMOJBKBUKM-IAGOWNOFSA-N 1 3 282.472 3.046 20 0 CGADHO CC[NH+]1CCC(NC[C@H](OC(C)C)c2ccccc2)CC1 ZINC000638292067 378759363 /nfs/dbraw/zinc/75/93/63/378759363.db2.gz UFMCHGYDSXKTEN-SFHVURJKSA-N 1 3 290.451 3.227 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CS1 ZINC000638454126 378808751 /nfs/dbraw/zinc/80/87/51/378808751.db2.gz KFDJPNRUDBNBPX-XJKSGUPXSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CS1 ZINC000638454126 378808756 /nfs/dbraw/zinc/80/87/56/378808756.db2.gz KFDJPNRUDBNBPX-XJKSGUPXSA-N 1 3 282.497 3.125 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4ccccc4s3)C[C@@H]12 ZINC000346829870 218027844 /nfs/dbraw/zinc/02/78/44/218027844.db2.gz OEJOMPLHXLFICF-NWANDNLSSA-N 1 3 272.417 3.070 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc4cc(F)ccc4o3)C[C@@H]21 ZINC000346837520 218031267 /nfs/dbraw/zinc/03/12/67/218031267.db2.gz WEJRWLBRCKKFED-KNXALSJPSA-N 1 3 288.366 3.131 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)c1 ZINC000346996297 218084797 /nfs/dbraw/zinc/08/47/97/218084797.db2.gz WKAGDAWXFVLJLP-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)c1 ZINC000346996297 218084799 /nfs/dbraw/zinc/08/47/99/218084799.db2.gz WKAGDAWXFVLJLP-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO CC(C)CC[C@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346998994 218086882 /nfs/dbraw/zinc/08/68/82/218086882.db2.gz YDCHBQKBANWORN-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[C@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000346998994 218086884 /nfs/dbraw/zinc/08/68/84/218086884.db2.gz YDCHBQKBANWORN-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241374 378952885 /nfs/dbraw/zinc/95/28/85/378952885.db2.gz GWRUZEOGPRHITI-DOMZBBRYSA-N 1 3 298.377 3.060 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241374 378952890 /nfs/dbraw/zinc/95/28/90/378952890.db2.gz GWRUZEOGPRHITI-DOMZBBRYSA-N 1 3 298.377 3.060 20 0 CGADHO CCC[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)OC ZINC000638968496 378961580 /nfs/dbraw/zinc/96/15/80/378961580.db2.gz AXEXMBOZDQBPLX-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638968496 378961584 /nfs/dbraw/zinc/96/15/84/378961584.db2.gz AXEXMBOZDQBPLX-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968496 378961589 /nfs/dbraw/zinc/96/15/89/378961589.db2.gz AXEXMBOZDQBPLX-HLLBOEOZSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+]CC1CCSCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000638970669 378961738 /nfs/dbraw/zinc/96/17/38/378961738.db2.gz MSKFMHXSWXKJKP-ZBFHGGJFSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370671711 379048295 /nfs/dbraw/zinc/04/82/95/379048295.db2.gz WWFHHOQODRXWLJ-MCIONIFRSA-N 1 3 270.486 3.123 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370671711 379048301 /nfs/dbraw/zinc/04/83/01/379048301.db2.gz WWFHHOQODRXWLJ-MCIONIFRSA-N 1 3 270.486 3.123 20 0 CGADHO CO[C@H](C)CN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000348836707 379075455 /nfs/dbraw/zinc/07/54/55/379075455.db2.gz XHEDHQJERVMOOO-MRXNPFEDSA-N 1 3 292.467 3.111 20 0 CGADHO CO[C@H](C)CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000348836707 379075469 /nfs/dbraw/zinc/07/54/69/379075469.db2.gz XHEDHQJERVMOOO-MRXNPFEDSA-N 1 3 292.467 3.111 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000277434428 379158351 /nfs/dbraw/zinc/15/83/51/379158351.db2.gz JSPUAJVIYCPMTN-HNNXBMFYSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000277434428 379158363 /nfs/dbraw/zinc/15/83/63/379158363.db2.gz JSPUAJVIYCPMTN-HNNXBMFYSA-N 1 3 271.408 3.084 20 0 CGADHO C[NH+](C)[C@H]1CCCN(Cc2cccc3[nH]ccc32)CC1 ZINC000277434428 379158371 /nfs/dbraw/zinc/15/83/71/379158371.db2.gz JSPUAJVIYCPMTN-HNNXBMFYSA-N 1 3 271.408 3.084 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cccc(C)c1 ZINC000349659856 379333995 /nfs/dbraw/zinc/33/39/95/379333995.db2.gz AHUCYBDUIWJBEE-INIZCTEOSA-N 1 3 278.440 3.004 20 0 CGADHO C[C@H](c1nc2ccccc2o1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639758901 379572273 /nfs/dbraw/zinc/57/22/73/379572273.db2.gz ZCLVCGGKTVOULW-CQSZACIVSA-N 1 3 299.418 3.307 20 0 CGADHO C[C@@H](c1ccccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759033 379572580 /nfs/dbraw/zinc/57/25/80/379572580.db2.gz ZYOXWISHXCGFRD-AWEZNQCLSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@H](C[N@@H+]1CCCC12CCN(C)CC2)c1ccccc1 ZINC000377267470 379656833 /nfs/dbraw/zinc/65/68/33/379656833.db2.gz PTDGIWKWJQKCTN-MRXNPFEDSA-N 1 3 272.436 3.350 20 0 CGADHO C[C@H](C[N@H+]1CCCC12CCN(C)CC2)c1ccccc1 ZINC000377267470 379656835 /nfs/dbraw/zinc/65/68/35/379656835.db2.gz PTDGIWKWJQKCTN-MRXNPFEDSA-N 1 3 272.436 3.350 20 0 CGADHO CC(C)N1CCN(CCC[N@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000640351063 379774039 /nfs/dbraw/zinc/77/40/39/379774039.db2.gz WVBKDYTXMMYKLW-KRWDZBQOSA-N 1 3 297.531 3.017 20 0 CGADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000640351063 379774041 /nfs/dbraw/zinc/77/40/41/379774041.db2.gz WVBKDYTXMMYKLW-KRWDZBQOSA-N 1 3 297.531 3.017 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1cccc(-c2cccnc2)c1 ZINC000352526704 379844915 /nfs/dbraw/zinc/84/49/15/379844915.db2.gz QUNAXCXQLWWWCD-LJQANCHMSA-N 1 3 295.430 3.452 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[C@H]3C[C@H]3C2)c2ccccc21 ZINC000403787127 379976637 /nfs/dbraw/zinc/97/66/37/379976637.db2.gz ZJAJSGMMKMRCJT-IJNPPISZSA-N 1 3 256.393 3.157 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc(F)ccc1F ZINC000401023223 379955594 /nfs/dbraw/zinc/95/55/94/379955594.db2.gz LZOOWYLFZPECPF-CIQGVGRVSA-N 1 3 280.362 3.004 20 0 CGADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c1 ZINC000282888639 380006678 /nfs/dbraw/zinc/00/66/78/380006678.db2.gz DFQHBXRPNLFXHZ-SFHVURJKSA-N 1 3 297.446 3.405 20 0 CGADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc[nH]c1 ZINC000282888639 380006684 /nfs/dbraw/zinc/00/66/84/380006684.db2.gz DFQHBXRPNLFXHZ-SFHVURJKSA-N 1 3 297.446 3.405 20 0 CGADHO CN1CC=C(C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641777232 380093303 /nfs/dbraw/zinc/09/33/03/380093303.db2.gz MWFFNOCQDABNAA-GOSISDBHSA-N 1 3 270.420 3.379 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641790251 380099616 /nfs/dbraw/zinc/09/96/16/380099616.db2.gz VWBPLZDOAUSZMS-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641790251 380099621 /nfs/dbraw/zinc/09/96/21/380099621.db2.gz VWBPLZDOAUSZMS-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641790251 380099626 /nfs/dbraw/zinc/09/96/26/380099626.db2.gz VWBPLZDOAUSZMS-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@H](NCc1nsc2ccccc21)C1CC[NH+](C)CC1 ZINC000641793096 380107655 /nfs/dbraw/zinc/10/76/55/380107655.db2.gz ZZNRLGLRPIXECM-LBPRGKRZSA-N 1 3 289.448 3.116 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1ccc2ccccc2c1 ZINC000641801704 380111509 /nfs/dbraw/zinc/11/15/09/380111509.db2.gz DZHOQMDIRDZROO-SJORKVTESA-N 1 3 268.404 3.098 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945741 380248122 /nfs/dbraw/zinc/24/81/22/380248122.db2.gz BZYKFXRZSJOYJV-UTUOFQBUSA-N 1 3 278.362 3.037 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945741 380248125 /nfs/dbraw/zinc/24/81/25/380248125.db2.gz BZYKFXRZSJOYJV-UTUOFQBUSA-N 1 3 278.362 3.037 20 0 CGADHO C[C@@H]1c2ccc(F)cc2CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000643058158 380210423 /nfs/dbraw/zinc/21/04/23/380210423.db2.gz JCEIRMGXLVFBRQ-KGLIPLIRSA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000643503389 380326363 /nfs/dbraw/zinc/32/63/63/380326363.db2.gz KVAKXVJMMXGIJF-MELADBBJSA-N 1 3 266.454 3.047 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H](NCC[NH2+]C3CC3)C2)cc1 ZINC000643507322 380329808 /nfs/dbraw/zinc/32/98/08/380329808.db2.gz ZCWNXBQSRGYQTK-AEFFLSMTSA-N 1 3 272.436 3.445 20 0 CGADHO C1CC1[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643549049 380366564 /nfs/dbraw/zinc/36/65/64/380366564.db2.gz ZKUYDNATRJFKQM-HZPDHXFCSA-N 1 3 262.441 3.220 20 0 CGADHO COc1cccc(C2CC[NH+](C[C@@H](N)CC(C)C)CC2)c1 ZINC000414689084 380375249 /nfs/dbraw/zinc/37/52/49/380375249.db2.gz FOIKOJQOSBRRCB-KRWDZBQOSA-N 1 3 290.451 3.248 20 0 CGADHO CC[N@H+](C[C@@H]1CCCC[C@@H]1C)[C@@H]1CCCNCC1 ZINC000414715278 380386173 /nfs/dbraw/zinc/38/61/73/380386173.db2.gz MUPVPUWKXWQVLT-HRCADAONSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCC[C@@H]1C)[C@@H]1CCCNCC1 ZINC000414715278 380386177 /nfs/dbraw/zinc/38/61/77/380386177.db2.gz MUPVPUWKXWQVLT-HRCADAONSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523498 380339165 /nfs/dbraw/zinc/33/91/65/380339165.db2.gz VWNLJIGWJQPEID-GFCCVEGCSA-N 1 3 272.417 3.072 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000643523840 380340391 /nfs/dbraw/zinc/34/03/91/380340391.db2.gz AAJMSUKXLGLHNE-YUTCNCBUSA-N 1 3 250.361 3.055 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)N)c1cccc(OCc2ccccc2)c1 ZINC000643528195 380344187 /nfs/dbraw/zinc/34/41/87/380344187.db2.gz FIZGANQYMSLDOX-LSDHHAIUSA-N 1 3 284.403 3.263 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000643527931 380344304 /nfs/dbraw/zinc/34/43/04/380344304.db2.gz VSWDIGHGZQZUBM-SUHUHFCYSA-N 1 3 286.341 3.278 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N[C@H]1CC12CC[NH2+]CC2 ZINC000643536497 380351867 /nfs/dbraw/zinc/35/18/67/380351867.db2.gz UKAWMFPPVRJLOZ-SFHVURJKSA-N 1 3 290.410 3.488 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000643544807 380357451 /nfs/dbraw/zinc/35/74/51/380357451.db2.gz XBNHRZSBUCIJRN-NKHLHKDFSA-N 1 3 276.468 3.308 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(OC)c1 ZINC000643545830 380358073 /nfs/dbraw/zinc/35/80/73/380358073.db2.gz CVWUNRWPISXVGL-RDJZCZTQSA-N 1 3 288.435 3.411 20 0 CGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546660 380361422 /nfs/dbraw/zinc/36/14/22/380361422.db2.gz SNTBLHXQTMZSCA-ZNMIVQPWSA-N 1 3 252.446 3.466 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc(Cl)cs1 ZINC000414812951 380424065 /nfs/dbraw/zinc/42/40/65/380424065.db2.gz XRYDZRHKTOVWAF-SKDRFNHKSA-N 1 3 258.818 3.009 20 0 CGADHO CCCC[C@@H](CN)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414817767 380428629 /nfs/dbraw/zinc/42/86/29/380428629.db2.gz SZUNHVIUCAXZAM-LBPRGKRZSA-N 1 3 292.320 3.452 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000414857174 380457515 /nfs/dbraw/zinc/45/75/15/380457515.db2.gz PBBBFCVJKHZSCC-HOTGVXAUSA-N 1 3 274.452 3.332 20 0 CGADHO c1ccc(C[C@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414825785 380435794 /nfs/dbraw/zinc/43/57/94/380435794.db2.gz HRENDSIOMQCVFB-BBCBXFPWSA-N 1 3 284.447 3.270 20 0 CGADHO Cc1ccccc1C[C@H](C)NCC1([NH3+])CCCCC1 ZINC000414837330 380444144 /nfs/dbraw/zinc/44/41/44/380444144.db2.gz GTPPUOLCMXVBQU-HNNXBMFYSA-N 1 3 260.425 3.177 20 0 CGADHO CNC[C@H](C)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414838099 380445760 /nfs/dbraw/zinc/44/57/60/380445760.db2.gz KUGTWCUVRXPFCQ-OOHWJJMZSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](NCC1([NH3+])CCCCC1)[C@@H](C)c1ccccc1 ZINC000414842823 380448165 /nfs/dbraw/zinc/44/81/65/380448165.db2.gz MZILLNNVKMCHBU-HUUCEWRRSA-N 1 3 260.425 3.430 20 0 CGADHO Clc1ccsc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414772798 380399154 /nfs/dbraw/zinc/39/91/54/380399154.db2.gz CMJFDPHOGWQIET-RYUDHWBXSA-N 1 3 284.856 3.223 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777229 380401325 /nfs/dbraw/zinc/40/13/25/380401325.db2.gz HUHRVXMODWJULU-OLZOCXBDSA-N 1 3 296.817 3.301 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777233 380401477 /nfs/dbraw/zinc/40/14/77/380401477.db2.gz HUHRVXMODWJULU-STQMWFEESA-N 1 3 296.817 3.301 20 0 CGADHO CC(C)[C@@H]([NH3+])CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414787868 380405460 /nfs/dbraw/zinc/40/54/60/380405460.db2.gz CVKUOWICHQDTFX-RISCZKNCSA-N 1 3 288.357 3.382 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cnc(-c2ccccc2)s1 ZINC000414789631 380406221 /nfs/dbraw/zinc/40/62/21/380406221.db2.gz FOZLSPPSFRRFDK-DZGCQCFKSA-N 1 3 287.432 3.027 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000414791330 380406347 /nfs/dbraw/zinc/40/63/47/380406347.db2.gz HQDCWNAHVAKCKV-GXFFZTMASA-N 1 3 273.207 3.210 20 0 CGADHO CC(C)[C@@H]([NH3+])CNC[C@H](C)c1cccc(Br)c1 ZINC000414789874 380407130 /nfs/dbraw/zinc/40/71/30/380407130.db2.gz FYPLMUVFTNHVKL-FZMZJTMJSA-N 1 3 299.256 3.126 20 0 CGADHO CCSc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414800074 380413041 /nfs/dbraw/zinc/41/30/41/380413041.db2.gz KOKSYRXARABPON-GOEBONIOSA-N 1 3 278.465 3.406 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@H]2NCC(C)(C)[NH3+])cc1 ZINC000414802034 380414303 /nfs/dbraw/zinc/41/43/03/380414303.db2.gz JVMPBDOIXDSUAE-IAGOWNOFSA-N 1 3 290.451 3.437 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@@H]2NCC(C)(C)[NH3+])cc1 ZINC000414802042 380414541 /nfs/dbraw/zinc/41/45/41/380414541.db2.gz JVMPBDOIXDSUAE-SJORKVTESA-N 1 3 290.451 3.437 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414801850 380414992 /nfs/dbraw/zinc/41/49/92/380414992.db2.gz MIGQGLSTMXDERO-OWSLCNJRSA-N 1 3 272.436 3.115 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc2cc(F)ccc2o1 ZINC000414803845 380415683 /nfs/dbraw/zinc/41/56/83/380415683.db2.gz OIJXPKIIEJCUAB-ABAIWWIYSA-N 1 3 276.355 3.179 20 0 CGADHO C[C@H]([NH3+])c1ccc(CNCc2cccc(F)c2)cc1 ZINC000414806244 380417644 /nfs/dbraw/zinc/41/76/44/380417644.db2.gz HMIZGSBXEYPYGQ-LBPRGKRZSA-N 1 3 258.340 3.135 20 0 CGADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@@H](C[NH3+])C1CC1 ZINC000414807260 380420336 /nfs/dbraw/zinc/42/03/36/380420336.db2.gz NUHRJQHPBSVMOX-XPTSAGLGSA-N 1 3 287.234 3.251 20 0 CGADHO CCCC[C@@H](CN)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414810319 380422574 /nfs/dbraw/zinc/42/25/74/380422574.db2.gz HVOFETKXWIAEJT-AWEZNQCLSA-N 1 3 289.448 3.417 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414809859 380422601 /nfs/dbraw/zinc/42/26/01/380422601.db2.gz USRGBZVISBCPHJ-KSZLIROESA-N 1 3 274.452 3.423 20 0 CGADHO CCCC1CCC(C[NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC000414927908 380491013 /nfs/dbraw/zinc/49/10/13/380491013.db2.gz AKTMVQKOKXFJCM-PRLABOORSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414930193 380492971 /nfs/dbraw/zinc/49/29/71/380492971.db2.gz SPSCRGSKKRBTGV-KBPBESRZSA-N 1 3 286.341 3.373 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C1(C)CCNCC1 ZINC000414930363 380493664 /nfs/dbraw/zinc/49/36/64/380493664.db2.gz AQAWDQMNJKMEFU-UHFFFAOYSA-N 1 3 286.341 3.246 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000414977804 380503826 /nfs/dbraw/zinc/50/38/26/380503826.db2.gz RWZLJKDHPYVPRL-RBSFLKMASA-N 1 3 252.446 3.181 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415065950 380507536 /nfs/dbraw/zinc/50/75/36/380507536.db2.gz IABYLFPGLRRDIO-WMZOPIPTSA-N 1 3 272.436 3.130 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000354653170 380517028 /nfs/dbraw/zinc/51/70/28/380517028.db2.gz DVKMWWMGIBLCPR-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCNC1 ZINC000414858613 380459011 /nfs/dbraw/zinc/45/90/11/380459011.db2.gz SDMWIQFPUGVSKJ-VXGBXAGGSA-N 1 3 286.872 3.312 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NC[C@@H]1CCC[NH2+]C1 ZINC000414858613 380459017 /nfs/dbraw/zinc/45/90/17/380459017.db2.gz SDMWIQFPUGVSKJ-VXGBXAGGSA-N 1 3 286.872 3.312 20 0 CGADHO CC(C)n1ccc(C[C@@H](C)[NH2+]CC2(N)CCCCCC2)n1 ZINC000414860723 380461486 /nfs/dbraw/zinc/46/14/86/380461486.db2.gz QKBCJPQZFKZINB-OAHLLOKOSA-N 1 3 292.471 3.036 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000414885301 380474169 /nfs/dbraw/zinc/47/41/69/380474169.db2.gz WSLVPWDWDYPHQM-HDEZJCGLSA-N 1 3 260.425 3.143 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000414894528 380478646 /nfs/dbraw/zinc/47/86/46/380478646.db2.gz SZKYVIPGVKCMAX-BBRMVZONSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414903611 380481817 /nfs/dbraw/zinc/48/18/17/380481817.db2.gz IQPROOKEXJSTSQ-HIFRSBDPSA-N 1 3 266.454 3.049 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339999 380853031 /nfs/dbraw/zinc/85/30/31/380853031.db2.gz RTDQRPOXECBWRS-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000572527266 322341788 /nfs/dbraw/zinc/34/17/88/322341788.db2.gz XUUCXJOWHVVWST-BBRMVZONSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000572527266 322341792 /nfs/dbraw/zinc/34/17/92/322341792.db2.gz XUUCXJOWHVVWST-BBRMVZONSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)s1 ZINC000572527266 322341796 /nfs/dbraw/zinc/34/17/96/322341796.db2.gz XUUCXJOWHVVWST-BBRMVZONSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)s1 ZINC000572527266 322341800 /nfs/dbraw/zinc/34/18/00/322341800.db2.gz XUUCXJOWHVVWST-BBRMVZONSA-N 1 3 278.465 3.227 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000359101019 381337282 /nfs/dbraw/zinc/33/72/82/381337282.db2.gz CGKYTBZCRRZCSI-NUJGCVRESA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCOC2)CC1 ZINC000359101019 381337286 /nfs/dbraw/zinc/33/72/86/381337286.db2.gz CGKYTBZCRRZCSI-NUJGCVRESA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CN1CCC([NH2+]CC2(C(C)C)CC2)CC1 ZINC000223815065 542289765 /nfs/dbraw/zinc/28/97/65/542289765.db2.gz UIWRLMUMNWRUPI-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000247199914 542329947 /nfs/dbraw/zinc/32/99/47/542329947.db2.gz UYVVPMKYYKJZCN-INMHGKMJSA-N 1 3 276.399 3.275 20 0 CGADHO CC[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@@H]1N ZINC000251873167 542348701 /nfs/dbraw/zinc/34/87/01/542348701.db2.gz UPAKUWHGMUKPFF-COXVUDFISA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC[C@@H]1N ZINC000251873167 542348702 /nfs/dbraw/zinc/34/87/02/542348702.db2.gz UPAKUWHGMUKPFF-COXVUDFISA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1CN([C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000251873167 542348704 /nfs/dbraw/zinc/34/87/04/542348704.db2.gz UPAKUWHGMUKPFF-COXVUDFISA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@H]1CN(Cc2ccccc2C2CC2)CC[C@H]1[NH3+] ZINC000251599997 542346882 /nfs/dbraw/zinc/34/68/82/542346882.db2.gz DBRZLOWNGJDLAF-SUMWQHHRSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1CN(CC[C@H](C)c2ccccc2)CC[C@H]1[NH3+] ZINC000251637318 542347392 /nfs/dbraw/zinc/34/73/92/542347392.db2.gz FTSIQFUDINWYRH-ZMSDIMECSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@H](C)c2ccccc2)CC[C@H]1N ZINC000251637318 542347398 /nfs/dbraw/zinc/34/73/98/542347398.db2.gz FTSIQFUDINWYRH-ZMSDIMECSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@H](C)c2ccccc2)CC[C@H]1N ZINC000251637318 542347401 /nfs/dbraw/zinc/34/74/01/542347401.db2.gz FTSIQFUDINWYRH-ZMSDIMECSA-N 1 3 260.425 3.239 20 0 CGADHO c1ccc2c(c1)C[C@@H]2CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250869270 542344776 /nfs/dbraw/zinc/34/47/76/542344776.db2.gz YCECAOKEFZVBOJ-NXWXRZEISA-N 1 3 284.447 3.227 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000250869270 542344779 /nfs/dbraw/zinc/34/47/79/542344779.db2.gz YCECAOKEFZVBOJ-NXWXRZEISA-N 1 3 284.447 3.227 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743213 220293463 /nfs/dbraw/zinc/29/34/63/220293463.db2.gz BOGOFHHWTYOZHZ-PBHICJAKSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743213 220293469 /nfs/dbraw/zinc/29/34/69/220293469.db2.gz BOGOFHHWTYOZHZ-PBHICJAKSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745334 220297334 /nfs/dbraw/zinc/29/73/34/220297334.db2.gz JCFIHWPFSFKPIL-BEFAXECRSA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745334 220297338 /nfs/dbraw/zinc/29/73/38/220297338.db2.gz JCFIHWPFSFKPIL-BEFAXECRSA-N 1 3 286.463 3.337 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753510 220304517 /nfs/dbraw/zinc/30/45/17/220304517.db2.gz XCJHFXYIUYFOGX-TZMCWYRMSA-N 1 3 252.427 3.053 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccsc2)C[C@H]1C ZINC000353753510 220304521 /nfs/dbraw/zinc/30/45/21/220304521.db2.gz XCJHFXYIUYFOGX-TZMCWYRMSA-N 1 3 252.427 3.053 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000350220447 218999715 /nfs/dbraw/zinc/99/97/15/218999715.db2.gz NBFPQXDWLMEQFN-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCC(C)(F)F ZINC000390083522 262113011 /nfs/dbraw/zinc/11/30/11/262113011.db2.gz DTRRUBPEUFWEDQ-CHWSQXEVSA-N 1 3 262.388 3.322 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(Cl)c3cccnc23)C1 ZINC000334847329 542461644 /nfs/dbraw/zinc/46/16/44/542461644.db2.gz SNIZREPFWWDGSY-OLZOCXBDSA-N 1 3 289.810 3.248 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(CC)CC ZINC000339068181 542485693 /nfs/dbraw/zinc/48/56/93/542485693.db2.gz LXOBKOKATWNBSU-VVLHAWIVSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(CC)CC ZINC000339068181 542485699 /nfs/dbraw/zinc/48/56/99/542485699.db2.gz LXOBKOKATWNBSU-VVLHAWIVSA-N 1 3 294.483 3.187 20 0 CGADHO Fc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339068082 542486250 /nfs/dbraw/zinc/48/62/50/542486250.db2.gz NCWYLZYAPIZDPL-SJORKVTESA-N 1 3 288.410 3.074 20 0 CGADHO Fc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339068082 542486253 /nfs/dbraw/zinc/48/62/53/542486253.db2.gz NCWYLZYAPIZDPL-SJORKVTESA-N 1 3 288.410 3.074 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)ccn1 ZINC000348064443 542512896 /nfs/dbraw/zinc/51/28/96/542512896.db2.gz ABWDYBAPMQVWKH-QZTJIDSGSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1ncc[nH]1 ZINC000365116575 533337976 /nfs/dbraw/zinc/33/79/76/533337976.db2.gz KESSBXQMHGVKJI-QQFBHYJXSA-N 1 3 290.455 3.103 20 0 CGADHO COc1ccc(C)cc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414186891 533415930 /nfs/dbraw/zinc/41/59/30/533415930.db2.gz PPOGFZQBFCDFDV-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO COc1ccc(C)cc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414186891 533415932 /nfs/dbraw/zinc/41/59/32/533415932.db2.gz PPOGFZQBFCDFDV-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO C[N@H+](CCC(C)(C)C)Cc1ccc2c(c1)CNCC2 ZINC000399896798 542621059 /nfs/dbraw/zinc/62/10/59/542621059.db2.gz RETNPLFEEIASOQ-UHFFFAOYSA-N 1 3 260.425 3.200 20 0 CGADHO C[N@@H+](CCC(C)(C)C)Cc1ccc2c(c1)CNCC2 ZINC000399896798 542621062 /nfs/dbraw/zinc/62/10/62/542621062.db2.gz RETNPLFEEIASOQ-UHFFFAOYSA-N 1 3 260.425 3.200 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414927318 542641071 /nfs/dbraw/zinc/64/10/71/542641071.db2.gz OXYSGFQUPSZRGI-NWANDNLSSA-N 1 3 278.465 3.199 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414927318 542641073 /nfs/dbraw/zinc/64/10/73/542641073.db2.gz OXYSGFQUPSZRGI-NWANDNLSSA-N 1 3 278.465 3.199 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000249384313 131121613 /nfs/dbraw/zinc/12/16/13/131121613.db2.gz XCLDRHAMHUKFBP-OLZOCXBDSA-N 1 3 266.816 3.332 20 0 CGADHO CN1CCCC[C@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361931800 392367788 /nfs/dbraw/zinc/36/77/88/392367788.db2.gz YXPRZMOZCZBXGB-WMLDXEAASA-N 1 3 288.435 3.234 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000335197015 285488041 /nfs/dbraw/zinc/48/80/41/285488041.db2.gz PAOYGFQIUXIMTQ-DLBZAZTESA-N 1 3 258.409 3.054 20 0 CGADHO Fc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](C2CC2)CC1 ZINC000119638682 392396027 /nfs/dbraw/zinc/39/60/27/392396027.db2.gz ATNKMWURVXNSBU-KRWDZBQOSA-N 1 3 274.383 3.029 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000367058131 392463785 /nfs/dbraw/zinc/46/37/85/392463785.db2.gz QBFGGVYJBJHQBB-WMZOPIPTSA-N 1 3 289.467 3.429 20 0 CGADHO CC(C)[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CS1 ZINC000369670412 392499151 /nfs/dbraw/zinc/49/91/51/392499151.db2.gz MFTOOTFLKMSJNY-BHDPWAOGSA-N 1 3 282.497 3.123 20 0 CGADHO Cc1cc(N2CCN(Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000302261793 392614996 /nfs/dbraw/zinc/61/49/96/392614996.db2.gz ABLVEBUFXOCOKU-MRXNPFEDSA-N 1 3 281.403 3.101 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccsc1 ZINC000178040117 392670617 /nfs/dbraw/zinc/67/06/17/392670617.db2.gz VZRYPVDUXWITHF-KFWWJZLASA-N 1 3 296.480 3.288 20 0 CGADHO CC[NH+]1CCC(N[C@H](CC(C)C)c2ccncc2)CC1 ZINC000647280950 392633547 /nfs/dbraw/zinc/63/35/47/392633547.db2.gz OPXPPRKULWKFBQ-QGZVFWFLSA-N 1 3 275.440 3.243 20 0 CGADHO Cc1cc(Cl)ccc1C[N@H+](C1CC1)C1CCNCC1 ZINC000647482673 392736530 /nfs/dbraw/zinc/73/65/30/392736530.db2.gz XMSCGBIEMOWMPC-UHFFFAOYSA-N 1 3 278.827 3.365 20 0 CGADHO Cc1cc(Cl)ccc1C[N@@H+](C1CC1)C1CCNCC1 ZINC000647482673 392736534 /nfs/dbraw/zinc/73/65/34/392736534.db2.gz XMSCGBIEMOWMPC-UHFFFAOYSA-N 1 3 278.827 3.365 20 0 CGADHO CCCc1cccc(CN2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000647497555 392740696 /nfs/dbraw/zinc/74/06/96/392740696.db2.gz MBVJPRXNNMKWDY-IAGOWNOFSA-N 1 3 260.425 3.198 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H](C)CCc2ccccc2)CC[C@H]1N ZINC000647499105 392742240 /nfs/dbraw/zinc/74/22/40/392742240.db2.gz ZNPBSZWFGRNXRQ-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H](C)CCc2ccccc2)CC[C@H]1N ZINC000647499105 392742247 /nfs/dbraw/zinc/74/22/47/392742247.db2.gz ZNPBSZWFGRNXRQ-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1CN(C[C@@H](C)CCc2ccccc2)CC[C@H]1[NH3+] ZINC000647499105 392742250 /nfs/dbraw/zinc/74/22/50/392742250.db2.gz ZNPBSZWFGRNXRQ-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000334881864 392756051 /nfs/dbraw/zinc/75/60/51/392756051.db2.gz ZCQYKUKYJNQBGR-UKRRQHHQSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000334881864 392756061 /nfs/dbraw/zinc/75/60/61/392756061.db2.gz ZCQYKUKYJNQBGR-UKRRQHHQSA-N 1 3 282.497 3.267 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543846 392761091 /nfs/dbraw/zinc/76/10/91/392761091.db2.gz SUMMCEFSSNDDOR-GJZGRUSLSA-N 1 3 294.389 3.176 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731300 392713330 /nfs/dbraw/zinc/71/33/30/392713330.db2.gz KCEISXRDGHJTGC-IRXDYDNUSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731300 392713333 /nfs/dbraw/zinc/71/33/33/392713333.db2.gz KCEISXRDGHJTGC-IRXDYDNUSA-N 1 3 264.457 3.373 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647800780 392802769 /nfs/dbraw/zinc/80/27/69/392802769.db2.gz KMGRHAYBUSWEOE-IEWDOMPSSA-N 1 3 284.447 3.300 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189113387 392804521 /nfs/dbraw/zinc/80/45/21/392804521.db2.gz WZGPKHOLAGDISO-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccccc1N(C)C ZINC000647803246 392804983 /nfs/dbraw/zinc/80/49/83/392804983.db2.gz PCBUCPQTUKIZPT-CQSZACIVSA-N 1 3 283.419 3.062 20 0 CGADHO CCOc1ccccc1CN(C)CCCC1CC[NH2+]CC1 ZINC000647880952 392822257 /nfs/dbraw/zinc/82/22/57/392822257.db2.gz IAZYLCCYYJFJHM-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO Cc1ccc([C@@H]2[C@@H](C)CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886666 392826090 /nfs/dbraw/zinc/82/60/90/392826090.db2.gz GXBQLOJLVYCIJK-JZXOWHBKSA-N 1 3 272.436 3.378 20 0 CGADHO Cc1cccc([C@@H](NC[C@@H]2CC[NH2+]C2)C(C)(C)C)c1 ZINC000647992267 392860106 /nfs/dbraw/zinc/86/01/06/392860106.db2.gz YMYGSSFDQMAXNU-GDBMZVCRSA-N 1 3 260.425 3.281 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000525864011 392949576 /nfs/dbraw/zinc/94/95/76/392949576.db2.gz BALOZWDBWSFCKA-HUUCEWRRSA-N 1 3 278.415 3.251 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000648438681 393017849 /nfs/dbraw/zinc/01/78/49/393017849.db2.gz ZOXDKOGRHZQXGR-QZTJIDSGSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccccc1-c1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000415002569 393087674 /nfs/dbraw/zinc/08/76/74/393087674.db2.gz DWCGMBGIXSKCKQ-GJZGRUSLSA-N 1 3 268.404 3.487 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000415016161 393098510 /nfs/dbraw/zinc/09/85/10/393098510.db2.gz ZXLXQIUOHZEEQM-GHMZBOCLSA-N 1 3 278.396 3.380 20 0 CGADHO C[C@H](Cc1ccccc1)CN(C)CCC[NH+]1CCCC1 ZINC000467514304 393103604 /nfs/dbraw/zinc/10/36/04/393103604.db2.gz PZCDETDKBOVTEX-QGZVFWFLSA-N 1 3 274.452 3.283 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000414951078 393061465 /nfs/dbraw/zinc/06/14/65/393061465.db2.gz GSGBKJUODZLGCI-XJKSGUPXSA-N 1 3 260.425 3.072 20 0 CGADHO C[C@H](C[NH2+]CCCNC1CC1)c1cccc(Cl)c1 ZINC000415071975 393129695 /nfs/dbraw/zinc/12/96/95/393129695.db2.gz UYBHMQRIRAIRGP-GFCCVEGCSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](CNCCC[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000415071975 393129702 /nfs/dbraw/zinc/12/97/02/393129702.db2.gz UYBHMQRIRAIRGP-GFCCVEGCSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1cccc(Cl)c1 ZINC000415087655 393139376 /nfs/dbraw/zinc/13/93/76/393139376.db2.gz LEUDJCMPXDNQDS-DOMZBBRYSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H](CN[C@@H](C)C[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000415089867 393141213 /nfs/dbraw/zinc/14/12/13/393141213.db2.gz YICKNQUDOKMGNU-IHRRRGAJSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(OC2CCCC2)c1 ZINC000469849809 393222256 /nfs/dbraw/zinc/22/22/56/393222256.db2.gz CCROANZPMBDGOP-GDBMZVCRSA-N 1 3 288.435 3.177 20 0 CGADHO C[NH2+]CCCN(C)CCCc1cccc2ccccc21 ZINC000420387385 393480548 /nfs/dbraw/zinc/48/05/48/393480548.db2.gz KFUICPDGGGIQOD-UHFFFAOYSA-N 1 3 270.420 3.314 20 0 CGADHO Fc1cccc(CCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420379975 393480592 /nfs/dbraw/zinc/48/05/92/393480592.db2.gz BXIDVHFCRFSVDN-FUHWJXTLSA-N 1 3 290.426 3.222 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425927134 393445329 /nfs/dbraw/zinc/44/53/29/393445329.db2.gz SXZBRFRKXQDQAO-WBVHZDCISA-N 1 3 262.441 3.041 20 0 CGADHO CC[N@H+](CCCOCc1ccccc1)[C@H]1CCCNCC1 ZINC000420306540 393457065 /nfs/dbraw/zinc/45/70/65/393457065.db2.gz HUGKNWKKQGQWFD-SFHVURJKSA-N 1 3 290.451 3.057 20 0 CGADHO CC[N@@H+](CCCOCc1ccccc1)[C@H]1CCCNCC1 ZINC000420306540 393457068 /nfs/dbraw/zinc/45/70/68/393457068.db2.gz HUGKNWKKQGQWFD-SFHVURJKSA-N 1 3 290.451 3.057 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320239 393466338 /nfs/dbraw/zinc/46/63/38/393466338.db2.gz BBMKMADDYRUMRK-VHDGCEQUSA-N 1 3 294.389 3.347 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429536146 393474995 /nfs/dbraw/zinc/47/49/95/393474995.db2.gz DZXLLDKGCSWYJQ-FUHWJXTLSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429536146 393474999 /nfs/dbraw/zinc/47/49/99/393474999.db2.gz DZXLLDKGCSWYJQ-FUHWJXTLSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226780 393543556 /nfs/dbraw/zinc/54/35/56/393543556.db2.gz PPJMVLXCXRWKIO-DNVCBOLYSA-N 1 3 286.463 3.480 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226780 393543560 /nfs/dbraw/zinc/54/35/60/393543560.db2.gz PPJMVLXCXRWKIO-DNVCBOLYSA-N 1 3 286.463 3.480 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)CN1CCCC1 ZINC000488435877 393511985 /nfs/dbraw/zinc/51/19/85/393511985.db2.gz WMRYVMXGFCAWAP-ILXRZTDVSA-N 1 3 284.513 3.228 20 0 CGADHO C[C@H](CN[C@@H]1CS[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000488435877 393511990 /nfs/dbraw/zinc/51/19/90/393511990.db2.gz WMRYVMXGFCAWAP-ILXRZTDVSA-N 1 3 284.513 3.228 20 0 CGADHO CO[C@H](C)[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000359801976 393554512 /nfs/dbraw/zinc/55/45/12/393554512.db2.gz YSVYPCWPMJOIQE-HZPDHXFCSA-N 1 3 290.451 3.186 20 0 CGADHO [NH3+]C1(CNC[C@@H]2CCOc3ccccc32)CCCCCC1 ZINC000666808158 542816838 /nfs/dbraw/zinc/81/68/38/542816838.db2.gz DEAIORWNZAXIEL-HNNXBMFYSA-N 1 3 288.435 3.194 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCNCC1)c1cccc(Cl)c1 ZINC000666857629 542821374 /nfs/dbraw/zinc/82/13/74/542821374.db2.gz BSZFKISCVVVVQF-DOMZBBRYSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000666857629 542821375 /nfs/dbraw/zinc/82/13/75/542821375.db2.gz BSZFKISCVVVVQF-DOMZBBRYSA-N 1 3 266.816 3.175 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000666857600 542821780 /nfs/dbraw/zinc/82/17/80/542821780.db2.gz AJXWGZLTZZBFST-IKGGRYGDSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCNCC1 ZINC000666857837 542821837 /nfs/dbraw/zinc/82/18/37/542821837.db2.gz LLOMVXDDCUXUOW-VXGBXAGGSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857837 542821842 /nfs/dbraw/zinc/82/18/42/542821842.db2.gz LLOMVXDDCUXUOW-VXGBXAGGSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC[C@H]3C)CC2)C1 ZINC000432418965 393611806 /nfs/dbraw/zinc/61/18/06/393611806.db2.gz XUICHZUQIVAOTF-LMSBXDPUSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000422820244 393643474 /nfs/dbraw/zinc/64/34/74/393643474.db2.gz PPDSRVQYKSYSSF-XUXIUFHCSA-N 1 3 292.389 3.475 20 0 CGADHO c1cc(CCCN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000361020290 393644748 /nfs/dbraw/zinc/64/47/48/393644748.db2.gz IWMZNODUVZTAJD-UHFFFAOYSA-N 1 3 292.492 3.489 20 0 CGADHO CC(C)[C@@H]1C[C@@H](CN[C@@H]2CCC[C@H]2[NH3+])c2ccccc21 ZINC000423085787 393650034 /nfs/dbraw/zinc/65/00/34/393650034.db2.gz LJJVRSNECPBDFV-VIBAHUMZSA-N 1 3 272.436 3.383 20 0 CGADHO FC(F)(F)[C@@H](CC[NH2+]C1CCNCC1)c1ccccc1 ZINC000423131288 393652074 /nfs/dbraw/zinc/65/20/74/393652074.db2.gz HXWPCLNHZMXHBB-AWEZNQCLSA-N 1 3 286.341 3.064 20 0 CGADHO FC(F)(F)[C@@H](CCNC1CC[NH2+]CC1)c1ccccc1 ZINC000423131288 393652080 /nfs/dbraw/zinc/65/20/80/393652080.db2.gz HXWPCLNHZMXHBB-AWEZNQCLSA-N 1 3 286.341 3.064 20 0 CGADHO Cc1ccc([C@H](NC2CC[NH2+]CC2)C2CCC2)cc1 ZINC000423175421 393654039 /nfs/dbraw/zinc/65/40/39/393654039.db2.gz AHKBMRJYMPTFLP-QGZVFWFLSA-N 1 3 258.409 3.178 20 0 CGADHO Cc1ccc([C@H]([NH2+]C2CCNCC2)C2CCC2)cc1 ZINC000423175421 393654043 /nfs/dbraw/zinc/65/40/43/393654043.db2.gz AHKBMRJYMPTFLP-QGZVFWFLSA-N 1 3 258.409 3.178 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2cc(Br)ccc21 ZINC000423223029 393655050 /nfs/dbraw/zinc/65/50/50/393655050.db2.gz DPDBDPHJRWVFNL-IINYFYTJSA-N 1 3 297.240 3.153 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423329779 393662050 /nfs/dbraw/zinc/66/20/50/393662050.db2.gz FHZKNICCQZAMGU-KLHDSHLOSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423383658 393665246 /nfs/dbraw/zinc/66/52/46/393665246.db2.gz KNHFEHFLNJIQJQ-HZPDHXFCSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423454505 393667661 /nfs/dbraw/zinc/66/76/61/393667661.db2.gz ZGIXTWGGVOELHS-PKFCDNJMSA-N 1 3 252.789 3.043 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468477 393669345 /nfs/dbraw/zinc/66/93/45/393669345.db2.gz OKFNMXKUUKOZBX-PKOBYXMFSA-N 1 3 298.430 3.306 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484163 393670428 /nfs/dbraw/zinc/67/04/28/393670428.db2.gz YIYZDJRPIJLUDX-LRDDRELGSA-N 1 3 271.408 3.181 20 0 CGADHO Clc1cccc(CN[C@@H]2CC23CC[NH2+]CC3)c1Cl ZINC000666950879 542828234 /nfs/dbraw/zinc/82/82/34/542828234.db2.gz OTCAAXIDELDFEH-GFCCVEGCSA-N 1 3 285.218 3.225 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000433294870 393708311 /nfs/dbraw/zinc/70/83/11/393708311.db2.gz NPGOESOIFPDMDD-CQSZACIVSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC[C@H]1CCCN1C ZINC000445904336 393835048 /nfs/dbraw/zinc/83/50/48/393835048.db2.gz PSQILVOGKXJTHE-VXGBXAGGSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)NCC[C@H]1CCC[N@@H+]1C ZINC000445904336 393835053 /nfs/dbraw/zinc/83/50/53/393835053.db2.gz PSQILVOGKXJTHE-VXGBXAGGSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)NCC[C@H]1CCC[N@H+]1C ZINC000445904336 393835060 /nfs/dbraw/zinc/83/50/60/393835060.db2.gz PSQILVOGKXJTHE-VXGBXAGGSA-N 1 3 266.351 3.037 20 0 CGADHO CCCCOc1ccccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666954383 542829251 /nfs/dbraw/zinc/82/92/51/542829251.db2.gz VZLNQYFMTQRTEE-KRWDZBQOSA-N 1 3 288.435 3.097 20 0 CGADHO C[C@H]1C[C@H](N(C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092706 393816524 /nfs/dbraw/zinc/81/65/24/393816524.db2.gz PVHICFPFJNVZCH-LSDHHAIUSA-N 1 3 284.513 3.467 20 0 CGADHO C[C@H]1C[C@H](N(C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092706 393816528 /nfs/dbraw/zinc/81/65/28/393816528.db2.gz PVHICFPFJNVZCH-LSDHHAIUSA-N 1 3 284.513 3.467 20 0 CGADHO CN(CC[C@H]1CCC[N@@H+]1C)CCC1CCCCC1 ZINC000502692615 393883196 /nfs/dbraw/zinc/88/31/96/393883196.db2.gz DBAWXQGAVWKDAS-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CN(CC[C@H]1CCC[N@H+]1C)CCC1CCCCC1 ZINC000502692615 393883199 /nfs/dbraw/zinc/88/31/99/393883199.db2.gz DBAWXQGAVWKDAS-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995198 542832983 /nfs/dbraw/zinc/83/29/83/542832983.db2.gz FVEXZVMNBKOVOJ-UKRRQHHQSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995198 542832986 /nfs/dbraw/zinc/83/29/86/542832986.db2.gz FVEXZVMNBKOVOJ-UKRRQHHQSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCNC2(CCC2)C1)Cc1ccccc1 ZINC000666995733 542833657 /nfs/dbraw/zinc/83/36/57/542833657.db2.gz XTTZUHIKIFWPLI-WBVHZDCISA-N 1 3 272.436 3.130 20 0 CGADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666996779 542833779 /nfs/dbraw/zinc/83/37/79/542833779.db2.gz FOLUDDQGVKVTRR-OAHLLOKOSA-N 1 3 258.409 3.068 20 0 CGADHO FC1(F)CCCC[C@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450430454 393996785 /nfs/dbraw/zinc/99/67/85/393996785.db2.gz RVFFAKAKXINQGK-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450430454 393996789 /nfs/dbraw/zinc/99/67/89/393996789.db2.gz RVFFAKAKXINQGK-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000450430454 393996792 /nfs/dbraw/zinc/99/67/92/393996792.db2.gz RVFFAKAKXINQGK-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO CCCc1ccc2nccc(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2c1 ZINC000450485500 394002777 /nfs/dbraw/zinc/00/27/77/394002777.db2.gz PHRDKJBNPYPDOT-IYBDPMFKSA-N 1 3 295.430 3.185 20 0 CGADHO CCCc1ccc2nccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2c1 ZINC000450485500 394002781 /nfs/dbraw/zinc/00/27/81/394002781.db2.gz PHRDKJBNPYPDOT-IYBDPMFKSA-N 1 3 295.430 3.185 20 0 CGADHO CCc1ccc2nccc(N3CC[C@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000450537672 394012386 /nfs/dbraw/zinc/01/23/86/394012386.db2.gz DILVFNRIDMIUQO-IBGZPJMESA-N 1 3 295.430 3.329 20 0 CGADHO CCc1ccc2nccc(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000450537672 394012390 /nfs/dbraw/zinc/01/23/90/394012390.db2.gz DILVFNRIDMIUQO-IBGZPJMESA-N 1 3 295.430 3.329 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000453055655 394154604 /nfs/dbraw/zinc/15/46/04/394154604.db2.gz CYJZKHLCOQHEGF-DLBZAZTESA-N 1 3 289.467 3.114 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccncc1 ZINC000453068195 394159986 /nfs/dbraw/zinc/15/99/86/394159986.db2.gz XOPCMJRTDXVMJZ-RDJZCZTQSA-N 1 3 275.440 3.244 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccncc1 ZINC000453199240 394202823 /nfs/dbraw/zinc/20/28/23/394202823.db2.gz XFLXZJQIQOUUGA-DOTOQJQBSA-N 1 3 275.440 3.387 20 0 CGADHO C[N@H+](CCCCNCc1cc(Cl)ccc1F)C1CC1 ZINC000453597042 394253623 /nfs/dbraw/zinc/25/36/23/394253623.db2.gz MWFGELXMLGIKRZ-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[N@@H+](CCCCNCc1cc(Cl)ccc1F)C1CC1 ZINC000453597042 394253625 /nfs/dbraw/zinc/25/36/25/394253625.db2.gz MWFGELXMLGIKRZ-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO CC[C@@H](OCC[NH2+]C[C@H](N)CC(C)C)c1ccccc1 ZINC000650710384 397898353 /nfs/dbraw/zinc/89/83/53/397898353.db2.gz OJCCNVAQPYCSLD-IAGOWNOFSA-N 1 3 278.440 3.117 20 0 CGADHO [NH3+]CC1(CCNCc2csc(-c3ccccc3)n2)CC1 ZINC000650712200 397899476 /nfs/dbraw/zinc/89/94/76/397899476.db2.gz WCXJEYKAICNPNU-UHFFFAOYSA-N 1 3 287.432 3.029 20 0 CGADHO C[C@H]1CCCN(Cc2ccc3cnccc3c2)[C@H]1CC[NH3+] ZINC000650712251 397899715 /nfs/dbraw/zinc/89/97/15/397899715.db2.gz XTIXLJBKTIUVNN-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc3cnccc3c2)[C@H]1CCN ZINC000650712251 397899718 /nfs/dbraw/zinc/89/97/18/397899718.db2.gz XTIXLJBKTIUVNN-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@H]1CCN ZINC000650712251 397899720 /nfs/dbraw/zinc/89/97/20/397899720.db2.gz XTIXLJBKTIUVNN-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cccc(C)c1 ZINC000650718210 397901407 /nfs/dbraw/zinc/90/14/07/397901407.db2.gz CFKJVWFPRDQPIQ-UHFFFAOYSA-N 1 3 254.377 3.004 20 0 CGADHO CC[C@H](NCc1ccccc1C[NH2+]C)c1ccncc1 ZINC000650755224 397909492 /nfs/dbraw/zinc/90/94/92/397909492.db2.gz ABFVKBXVYLSGEI-KRWDZBQOSA-N 1 3 269.392 3.042 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2c1cccc2C ZINC000650758705 397911135 /nfs/dbraw/zinc/91/11/35/397911135.db2.gz WBFVMXHQCCLQHI-LJQANCHMSA-N 1 3 280.415 3.492 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000675778243 543363670 /nfs/dbraw/zinc/36/36/70/543363670.db2.gz AKDKKPMSQXOTNA-AWEZNQCLSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)C1CC[NH+](C)CC1 ZINC000678582468 543537719 /nfs/dbraw/zinc/53/77/19/543537719.db2.gz LSCNQGPHQYTMEU-PBHICJAKSA-N 1 3 288.435 3.057 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000678603542 543542794 /nfs/dbraw/zinc/54/27/94/543542794.db2.gz XZZFYWAEEVMZFL-WMZOPIPTSA-N 1 3 294.483 3.331 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCNC[C@H]1C ZINC000423392689 286386677 /nfs/dbraw/zinc/38/66/77/286386677.db2.gz LRHHWBLFOKMCQJ-JLZZUVOBSA-N 1 3 288.435 3.005 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@H]1CCC[NH2+]C1 ZINC000423215348 292298167 /nfs/dbraw/zinc/29/81/67/292298167.db2.gz QLXOXOKRNDGUKY-RDTXWAMCSA-N 1 3 297.446 3.443 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CCCNC1 ZINC000423215348 292298168 /nfs/dbraw/zinc/29/81/68/292298168.db2.gz QLXOXOKRNDGUKY-RDTXWAMCSA-N 1 3 297.446 3.443 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccn1 ZINC000245925454 287022956 /nfs/dbraw/zinc/02/29/56/287022956.db2.gz OMANFNMRQUXBCS-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccn1 ZINC000245925454 287022957 /nfs/dbraw/zinc/02/29/57/287022957.db2.gz OMANFNMRQUXBCS-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](C[NH2+]C1CCC2(CCCC2)CC1)CN(C)C ZINC000336791645 289686652 /nfs/dbraw/zinc/68/66/52/289686652.db2.gz OIBYNEQAPKLMQB-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000090340188 165232894 /nfs/dbraw/zinc/23/28/94/165232894.db2.gz UPHAWYWFKYQQRF-GOEBONIOSA-N 1 3 276.424 3.220 20 0 CGADHO C[C@@H]1CN(Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000094339095 165350743 /nfs/dbraw/zinc/35/07/43/165350743.db2.gz BJFHWNWKXLXISE-DYVFJYSZSA-N 1 3 254.377 3.009 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769912 287119134 /nfs/dbraw/zinc/11/91/34/287119134.db2.gz VMKZVGIPGJYYAP-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000093769912 287119136 /nfs/dbraw/zinc/11/91/36/287119136.db2.gz VMKZVGIPGJYYAP-QGZVFWFLSA-N 1 3 274.452 3.385 20 0 CGADHO CCCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119677716 287172298 /nfs/dbraw/zinc/17/22/98/287172298.db2.gz MSMDXHSXOVDRHZ-GVDBMIGSSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119677716 287172301 /nfs/dbraw/zinc/17/23/01/287172301.db2.gz MSMDXHSXOVDRHZ-GVDBMIGSSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119677716 287172303 /nfs/dbraw/zinc/17/23/03/287172303.db2.gz MSMDXHSXOVDRHZ-GVDBMIGSSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C(C)C ZINC000122363598 287209028 /nfs/dbraw/zinc/20/90/28/287209028.db2.gz WCIWHBHJTGSCAX-MRXNPFEDSA-N 1 3 278.440 3.151 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccccc2OC)CC1 ZINC000122701689 287211908 /nfs/dbraw/zinc/21/19/08/287211908.db2.gz JRNNNFULAHARSN-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1F ZINC000020128859 171016318 /nfs/dbraw/zinc/01/63/18/171016318.db2.gz JGGNZHCQKJCIDJ-AWEZNQCLSA-N 1 3 294.414 3.361 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000125742492 287249575 /nfs/dbraw/zinc/24/95/75/287249575.db2.gz JPYVXXHJBVYNJN-IRXDYDNUSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC12CCC2 ZINC000337411591 287269116 /nfs/dbraw/zinc/26/91/16/287269116.db2.gz WGNWIRDEWCRXBZ-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CCOC[C@@H](C)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000128684801 287316187 /nfs/dbraw/zinc/31/61/87/287316187.db2.gz LASGRMVIVGXRGC-OAHLLOKOSA-N 1 3 278.440 3.043 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000226352412 416521989 /nfs/dbraw/zinc/52/19/89/416521989.db2.gz TUGYYYVCOZOPJJ-ZYHUDNBSSA-N 1 3 272.845 3.051 20 0 CGADHO CCOc1ccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404309918 416552782 /nfs/dbraw/zinc/55/27/82/416552782.db2.gz JXPHUUVEHFUOEQ-PBHICJAKSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@@H]1CCCN(C/C=C\c2ccccc2)[C@@H]1CC[NH3+] ZINC000404395428 416553818 /nfs/dbraw/zinc/55/38/18/416553818.db2.gz OFFQBWJDFHFRPD-ULEBIONPSA-N 1 3 258.409 3.149 20 0 CGADHO CC[C@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358789 416491998 /nfs/dbraw/zinc/49/19/98/416491998.db2.gz KMNGYWNMUSCQMK-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358789 416492001 /nfs/dbraw/zinc/49/20/01/416492001.db2.gz KMNGYWNMUSCQMK-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358789 416492004 /nfs/dbraw/zinc/49/20/04/416492004.db2.gz KMNGYWNMUSCQMK-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H]1CN(Cc2c(C)cc(C)cc2C)CC[C@@H]1[NH3+] ZINC000134103035 416517427 /nfs/dbraw/zinc/51/74/27/416517427.db2.gz WUQKPYCDAHNFRG-WBVHZDCISA-N 1 3 260.425 3.171 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000681366340 543783834 /nfs/dbraw/zinc/78/38/34/543783834.db2.gz PAUSNUIPRHKEQF-ULQDDVLXSA-N 1 3 264.457 3.299 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000131128678 287371361 /nfs/dbraw/zinc/37/13/61/287371361.db2.gz VMNBIPWUXJCWEE-XJKSGUPXSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cc(C)ccn2)CC1 ZINC000683004136 543887076 /nfs/dbraw/zinc/88/70/76/543887076.db2.gz AHXSBJYCLFSMDX-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(C)ccn2)CC1 ZINC000683004136 543887080 /nfs/dbraw/zinc/88/70/80/543887080.db2.gz AHXSBJYCLFSMDX-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO C[C@@H]1C[C@H]1C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108887 543895113 /nfs/dbraw/zinc/89/51/13/543895113.db2.gz AEOFSGSPVRXWGU-WBVHZDCISA-N 1 3 287.451 3.276 20 0 CGADHO C[C@@H]1C[C@H]1C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108887 543895116 /nfs/dbraw/zinc/89/51/16/543895116.db2.gz AEOFSGSPVRXWGU-WBVHZDCISA-N 1 3 287.451 3.276 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000684566386 544014018 /nfs/dbraw/zinc/01/40/18/544014018.db2.gz PQXQXOUTLSZBSW-UHFFFAOYSA-N 1 3 281.403 3.102 20 0 CGADHO Cc1ccc(C[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000684566386 544014020 /nfs/dbraw/zinc/01/40/20/544014020.db2.gz PQXQXOUTLSZBSW-UHFFFAOYSA-N 1 3 281.403 3.102 20 0 CGADHO Fc1ccc(/C=C\C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000684425871 543998533 /nfs/dbraw/zinc/99/85/33/543998533.db2.gz ZMBWLYWGILAOGO-PLNGDYQASA-N 1 3 288.410 3.445 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000685455222 544073132 /nfs/dbraw/zinc/07/31/32/544073132.db2.gz LQUIIGFCFIUCBS-FUHWJXTLSA-N 1 3 274.452 3.185 20 0 CGADHO C[C@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000685473307 544079097 /nfs/dbraw/zinc/07/90/97/544079097.db2.gz CSKXFMUHEJIAEO-HZTRTUMWSA-N 1 3 276.399 3.130 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc3ccsc32)CC[N@@H+]1C ZINC000652220098 418936833 /nfs/dbraw/zinc/93/68/33/418936833.db2.gz UMKNYSWWFFMRNH-WFASDCNBSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc3ccsc32)CC[N@H+]1C ZINC000652220098 418936836 /nfs/dbraw/zinc/93/68/36/418936836.db2.gz UMKNYSWWFFMRNH-WFASDCNBSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc3ccsc32)CC[N@@H+]1C ZINC000652220096 418937004 /nfs/dbraw/zinc/93/70/04/418937004.db2.gz UMKNYSWWFFMRNH-IUODEOHRSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc3ccsc32)CC[N@H+]1C ZINC000652220096 418937006 /nfs/dbraw/zinc/93/70/06/418937006.db2.gz UMKNYSWWFFMRNH-IUODEOHRSA-N 1 3 274.433 3.474 20 0 CGADHO CC[N@H+](CCCN[C@H](COC)C1CC1)C1CCCCC1 ZINC000652237535 418939885 /nfs/dbraw/zinc/93/98/85/418939885.db2.gz SFBIDMJTXCRXPG-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@H](COC)C1CC1)C1CCCCC1 ZINC000652237535 418939888 /nfs/dbraw/zinc/93/98/88/418939888.db2.gz SFBIDMJTXCRXPG-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000659928740 419035002 /nfs/dbraw/zinc/03/50/02/419035002.db2.gz MUROYHULGOWWJD-BSDSXHPESA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCO1 ZINC000659928740 419035004 /nfs/dbraw/zinc/03/50/04/419035004.db2.gz MUROYHULGOWWJD-BSDSXHPESA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CN3CCCC[C@@H]3C)C2)CCO1 ZINC000659928740 419035009 /nfs/dbraw/zinc/03/50/09/419035009.db2.gz MUROYHULGOWWJD-BSDSXHPESA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CN3CCCC[C@@H]3C)C2)CCO1 ZINC000659928740 419035010 /nfs/dbraw/zinc/03/50/10/419035010.db2.gz MUROYHULGOWWJD-BSDSXHPESA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@H](COCC1CC1)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665236035 419087533 /nfs/dbraw/zinc/08/75/33/419087533.db2.gz FVWGCVHBXSCUGN-UAGQMJEPSA-N 1 3 282.472 3.092 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@H]2CCNCC[C@H]2C)C[C@@H](C)C1 ZINC000665239218 419088577 /nfs/dbraw/zinc/08/85/77/419088577.db2.gz OBWXJGOWKSOKDY-LEOABGAYSA-N 1 3 252.446 3.036 20 0 CGADHO Cc1ccccc1C[C@H](NCC1([NH3+])CCCC1)C1CC1 ZINC000665246587 419091016 /nfs/dbraw/zinc/09/10/16/419091016.db2.gz JJDLBDAGXUCRGE-KRWDZBQOSA-N 1 3 272.436 3.177 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(OC)c(OC)c1 ZINC000665249571 419092165 /nfs/dbraw/zinc/09/21/65/419092165.db2.gz SXABOKHKPKZMAI-AWEZNQCLSA-N 1 3 292.423 3.016 20 0 CGADHO NC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCCC1 ZINC000665248550 419092289 /nfs/dbraw/zinc/09/22/89/419092289.db2.gz ZCSFDHBXVHMEKU-HNNXBMFYSA-N 1 3 262.372 3.064 20 0 CGADHO COc1ccc([C@H]([NH2+]CC2(N)CCCC2)C(C)C)cc1 ZINC000665248348 419092431 /nfs/dbraw/zinc/09/24/31/419092431.db2.gz VKGRMOAISRCKKR-MRXNPFEDSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1cccc(OC)c1 ZINC000665248958 419092504 /nfs/dbraw/zinc/09/25/04/419092504.db2.gz GOIHSDLWMVSFQN-HNNXBMFYSA-N 1 3 262.397 3.007 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1(N)CCCC1 ZINC000665248563 419092600 /nfs/dbraw/zinc/09/26/00/419092600.db2.gz ZELKCJLOABRORK-UKRRQHHQSA-N 1 3 258.409 3.404 20 0 CGADHO CCCOc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279325 419100707 /nfs/dbraw/zinc/10/07/07/419100707.db2.gz AITHQGRRBACRLU-WMLDXEAASA-N 1 3 278.440 3.499 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000665281941 419103472 /nfs/dbraw/zinc/10/34/72/419103472.db2.gz MNVSZXDANZPWLY-IXDOHACOSA-N 1 3 290.451 3.196 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000665283179 419103719 /nfs/dbraw/zinc/10/37/19/419103719.db2.gz IYKROODOWJDZEF-GRAKBVBRSA-N 1 3 250.430 3.205 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659982404 419051154 /nfs/dbraw/zinc/05/11/54/419051154.db2.gz MBKRLTANFDNVCD-LTIDMASMSA-N 1 3 264.457 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659982404 419051158 /nfs/dbraw/zinc/05/11/58/419051158.db2.gz MBKRLTANFDNVCD-LTIDMASMSA-N 1 3 264.457 3.086 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCC(C)(C)C3CC3)CC[C@H]21 ZINC000653570675 419051485 /nfs/dbraw/zinc/05/14/85/419051485.db2.gz ZJCSCFMQHRMXAI-GDBMZVCRSA-N 1 3 264.457 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCC(C)(C)C3CC3)CC[C@H]21 ZINC000653570675 419051489 /nfs/dbraw/zinc/05/14/89/419051489.db2.gz ZJCSCFMQHRMXAI-GDBMZVCRSA-N 1 3 264.457 3.229 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](OC)C2CCCCC2)C1 ZINC000659982735 419051695 /nfs/dbraw/zinc/05/16/95/419051695.db2.gz VTNAIJYTTKYEKT-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](OC)C2CCCCC2)C1 ZINC000659982735 419051698 /nfs/dbraw/zinc/05/16/98/419051698.db2.gz VTNAIJYTTKYEKT-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982735 419051702 /nfs/dbraw/zinc/05/17/02/419051702.db2.gz VTNAIJYTTKYEKT-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982735 419051706 /nfs/dbraw/zinc/05/17/06/419051706.db2.gz VTNAIJYTTKYEKT-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCC(C)(C)C2CC2)CC1 ZINC000653642765 419064970 /nfs/dbraw/zinc/06/49/70/419064970.db2.gz VHSOECSDDHQUQM-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCC(C)(C)C2CC2)CC1 ZINC000653642765 419064972 /nfs/dbraw/zinc/06/49/72/419064972.db2.gz VHSOECSDDHQUQM-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO COc1ccc(C(C)C)cc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000655940154 419129668 /nfs/dbraw/zinc/12/96/68/419129668.db2.gz XBPQDXODCTVWKU-HNNXBMFYSA-N 1 3 290.451 3.379 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000656197667 419149166 /nfs/dbraw/zinc/14/91/66/419149166.db2.gz WILZJZMZOLQWTP-HZPDHXFCSA-N 1 3 260.425 3.214 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000656478132 419176790 /nfs/dbraw/zinc/17/67/90/419176790.db2.gz FAQQHCKTCAOHFV-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000656478132 419176792 /nfs/dbraw/zinc/17/67/92/419176792.db2.gz FAQQHCKTCAOHFV-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661769 419179133 /nfs/dbraw/zinc/17/91/33/419179133.db2.gz GHCIJHUMNXUXMV-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000660661769 419179137 /nfs/dbraw/zinc/17/91/37/419179137.db2.gz GHCIJHUMNXUXMV-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCCC1CCOCC1)C2 ZINC000660665921 419179765 /nfs/dbraw/zinc/17/97/65/419179765.db2.gz ZIOJUOZVAKSZGD-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCCC1CCOCC1)C2 ZINC000660665921 419179767 /nfs/dbraw/zinc/17/97/67/419179767.db2.gz ZIOJUOZVAKSZGD-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO Cc1cccc2c1ncc(C)c2N(C)CC(C)(C)[NH3+] ZINC000656609358 419186405 /nfs/dbraw/zinc/18/64/05/419186405.db2.gz YUMOGXPJWKOJRP-UHFFFAOYSA-N 1 3 257.381 3.025 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)C[C@@H]1CCC[NH2+]1)[C@@H](C)C2 ZINC000656791717 419220804 /nfs/dbraw/zinc/22/08/04/419220804.db2.gz JGMBCJTXZJVNKA-ILXVDBEPSA-N 1 3 272.436 3.349 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)c(C)c1 ZINC000657471801 419286467 /nfs/dbraw/zinc/28/64/67/419286467.db2.gz ILLMLBIEPXFZTN-AWEZNQCLSA-N 1 3 278.440 3.071 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@@H](C)c1cc2ccncc2s1 ZINC000657857813 419389303 /nfs/dbraw/zinc/38/93/03/419389303.db2.gz CTCQOJULWQPEMB-NEPJUHHUSA-N 1 3 277.437 3.287 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000662257308 419372296 /nfs/dbraw/zinc/37/22/96/419372296.db2.gz MARYAHZOSRVXBD-KRWDZBQOSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000662257308 419372301 /nfs/dbraw/zinc/37/23/01/419372301.db2.gz MARYAHZOSRVXBD-KRWDZBQOSA-N 1 3 272.436 3.343 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000657840792 419382775 /nfs/dbraw/zinc/38/27/75/419382775.db2.gz JYENCWQHZIHXEA-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000662284347 419383805 /nfs/dbraw/zinc/38/38/05/419383805.db2.gz GZQOZEOEICXGAL-LNLFQRSKSA-N 1 3 284.447 3.167 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000662284347 419383811 /nfs/dbraw/zinc/38/38/11/419383811.db2.gz GZQOZEOEICXGAL-LNLFQRSKSA-N 1 3 284.447 3.167 20 0 CGADHO C[C@@H](NC1CC([NH+]2CCCCC2)C1)C(C)(C)C(F)F ZINC000658000160 419484130 /nfs/dbraw/zinc/48/41/30/419484130.db2.gz UXNNKJAQHSIXIH-PNESKVBLSA-N 1 3 274.399 3.273 20 0 CGADHO c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)C2 ZINC000663346624 419567740 /nfs/dbraw/zinc/56/77/40/419567740.db2.gz BHHZXVCNXQZKDO-FXAWDEMLSA-N 1 3 298.474 3.256 20 0 CGADHO CC(C)c1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000663314243 419550043 /nfs/dbraw/zinc/55/00/43/419550043.db2.gz BBXHFYKAZLOEQA-INIZCTEOSA-N 1 3 272.436 3.384 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cccc(C(C)C)c2)C1 ZINC000663315652 419551161 /nfs/dbraw/zinc/55/11/61/419551161.db2.gz ZYHBXRQBVGWTBN-INIZCTEOSA-N 1 3 260.425 3.241 20 0 CGADHO c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)C2 ZINC000663346627 419568586 /nfs/dbraw/zinc/56/85/86/419568586.db2.gz BHHZXVCNXQZKDO-YLJYHZDGSA-N 1 3 298.474 3.256 20 0 CGADHO Cc1cc(Cl)ccc1CNCC[C@@H]([NH3+])C(C)C ZINC000663498284 419635367 /nfs/dbraw/zinc/63/53/67/419635367.db2.gz AHBURCCBHWWRRM-CQSZACIVSA-N 1 3 254.805 3.111 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CN3)C[C@@H](c2ccccc2)C1 ZINC000663497131 419636576 /nfs/dbraw/zinc/63/65/76/419636576.db2.gz CHSBABVYHSWIPT-MNDRRDKVSA-N 1 3 284.447 3.300 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CCc1ccsc1 ZINC000663501700 419637304 /nfs/dbraw/zinc/63/73/04/419637304.db2.gz BJEJEJZUHPBZQG-TZMCWYRMSA-N 1 3 254.443 3.032 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCc1ccsc1 ZINC000663501700 419637309 /nfs/dbraw/zinc/63/73/09/419637309.db2.gz BJEJEJZUHPBZQG-TZMCWYRMSA-N 1 3 254.443 3.032 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCCC1 ZINC000663468890 419620810 /nfs/dbraw/zinc/62/08/10/419620810.db2.gz NFANOQCNVXILIB-HOCLYGCPSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663471307 419626093 /nfs/dbraw/zinc/62/60/93/419626093.db2.gz XKFOTGHXCAEYSA-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663471303 419626340 /nfs/dbraw/zinc/62/63/40/419626340.db2.gz XKFOTGHXCAEYSA-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOCc1ccccc1 ZINC000390060919 262098799 /nfs/dbraw/zinc/09/87/99/262098799.db2.gz UDDPQRQWSSSNBR-SJLPKXTDSA-N 1 3 290.451 3.104 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000036997028 270028506 /nfs/dbraw/zinc/02/85/06/270028506.db2.gz OCXXZHFVXSMTEP-YVZJPGBNSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000036997028 270028507 /nfs/dbraw/zinc/02/85/07/270028507.db2.gz OCXXZHFVXSMTEP-YVZJPGBNSA-N 1 3 284.447 3.457 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000041075252 270030554 /nfs/dbraw/zinc/03/05/54/270030554.db2.gz GUODJPKUIMXWDL-QGZVFWFLSA-N 1 3 260.425 3.459 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000044535675 270035911 /nfs/dbraw/zinc/03/59/11/270035911.db2.gz CSBCYAVVDRUCEB-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044535675 270035913 /nfs/dbraw/zinc/03/59/13/270035913.db2.gz CSBCYAVVDRUCEB-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO CC(C)[N@H+](C)CCCNC1CC(c2ccc(F)cc2)C1 ZINC000228812905 270088078 /nfs/dbraw/zinc/08/80/78/270088078.db2.gz UBGDTUGDBCEPGH-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)[N@@H+](C)CCCNC1CC(c2ccc(F)cc2)C1 ZINC000228812905 270088079 /nfs/dbraw/zinc/08/80/79/270088079.db2.gz UBGDTUGDBCEPGH-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000228812905 270088080 /nfs/dbraw/zinc/08/80/80/270088080.db2.gz UBGDTUGDBCEPGH-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO C[C@H](NCc1cc2c(s1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000520564943 265855152 /nfs/dbraw/zinc/85/51/52/265855152.db2.gz OZQWYBJFURUZJP-GXTWGEPZSA-N 1 3 278.465 3.105 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000305168344 270092409 /nfs/dbraw/zinc/09/24/09/270092409.db2.gz ZAYZSEQBSLBHST-RDJZCZTQSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000305168344 270092410 /nfs/dbraw/zinc/09/24/10/270092410.db2.gz ZAYZSEQBSLBHST-RDJZCZTQSA-N 1 3 296.499 3.170 20 0 CGADHO FC1(CNCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000526974587 270123711 /nfs/dbraw/zinc/12/37/11/270123711.db2.gz AOKCXLCAGCWCHO-UHFFFAOYSA-N 1 3 276.399 3.264 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CC12CC2 ZINC000527861054 270140263 /nfs/dbraw/zinc/14/02/63/270140263.db2.gz XAQPFXBUQHVTHU-WDSOQIARSA-N 1 3 298.474 3.329 20 0 CGADHO c1cc(N2CCC([NH2+]CC[C@H]3CC=CCC3)CC2)ccn1 ZINC000529666929 270187725 /nfs/dbraw/zinc/18/77/25/270187725.db2.gz SMPMXAODTMOKKW-INIZCTEOSA-N 1 3 285.435 3.386 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCCCC1 ZINC000530219354 270196054 /nfs/dbraw/zinc/19/60/54/270196054.db2.gz LLHFWVJVJZKKFV-GJZGRUSLSA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000530219354 270196055 /nfs/dbraw/zinc/19/60/55/270196055.db2.gz LLHFWVJVJZKKFV-GJZGRUSLSA-N 1 3 250.430 3.220 20 0 CGADHO CSCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000235171101 287649313 /nfs/dbraw/zinc/64/93/13/287649313.db2.gz MZTFPORRQMQJPV-OWCLPIDISA-N 1 3 284.513 3.420 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000415109362 273545064 /nfs/dbraw/zinc/54/50/64/273545064.db2.gz PIUOCGPYXORZCZ-IAGOWNOFSA-N 1 3 278.415 3.125 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423564914 275070838 /nfs/dbraw/zinc/07/08/38/275070838.db2.gz SKZBIQMKNNDNEP-KRWDZBQOSA-N 1 3 283.419 3.277 20 0 CGADHO C(C1CCOCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171860110 275390349 /nfs/dbraw/zinc/39/03/49/275390349.db2.gz IFQQCUKVZGEBEA-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423208237 276019130 /nfs/dbraw/zinc/01/91/30/276019130.db2.gz HNHDRJHWBZDEJV-WBVHZDCISA-N 1 3 292.492 3.393 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000423208237 276019131 /nfs/dbraw/zinc/01/91/31/276019131.db2.gz HNHDRJHWBZDEJV-WBVHZDCISA-N 1 3 292.492 3.393 20 0 CGADHO CCC[C@H]([NH2+]CC1=CCN(C)CC1)C1CCCC1 ZINC000313430992 276286845 /nfs/dbraw/zinc/28/68/45/276286845.db2.gz QPFVWUFUJRMEBR-INIZCTEOSA-N 1 3 250.430 3.197 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@]2(CCSC2)C1 ZINC000334627019 277046198 /nfs/dbraw/zinc/04/61/98/277046198.db2.gz OGOYEDPTGKRHEW-HOTGVXAUSA-N 1 3 282.497 3.080 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@]2(CCSC2)C1 ZINC000334627019 277046199 /nfs/dbraw/zinc/04/61/99/277046199.db2.gz OGOYEDPTGKRHEW-HOTGVXAUSA-N 1 3 282.497 3.080 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493530474 277062298 /nfs/dbraw/zinc/06/22/98/277062298.db2.gz RWUZSRWJAHZOPY-QRVBRYPASA-N 1 3 286.463 3.472 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135546 277156097 /nfs/dbraw/zinc/15/60/97/277156097.db2.gz RFBWBJDIRAGWAA-FUHWJXTLSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135546 277156098 /nfs/dbraw/zinc/15/60/98/277156098.db2.gz RFBWBJDIRAGWAA-FUHWJXTLSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135546 277156099 /nfs/dbraw/zinc/15/60/99/277156099.db2.gz RFBWBJDIRAGWAA-FUHWJXTLSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135546 277156100 /nfs/dbraw/zinc/15/61/00/277156100.db2.gz RFBWBJDIRAGWAA-FUHWJXTLSA-N 1 3 295.430 3.151 20 0 CGADHO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000123063437 277284506 /nfs/dbraw/zinc/28/45/06/277284506.db2.gz CPOBAPDGKJRDQM-QZTJIDSGSA-N 1 3 294.483 3.331 20 0 CGADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000123063437 277284508 /nfs/dbraw/zinc/28/45/08/277284508.db2.gz CPOBAPDGKJRDQM-QZTJIDSGSA-N 1 3 294.483 3.331 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449204879 277392255 /nfs/dbraw/zinc/39/22/55/277392255.db2.gz JWXJGVOSPFGNJL-DLBZAZTESA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000423365119 277451772 /nfs/dbraw/zinc/45/17/72/277451772.db2.gz CWIRIBIMCZMMGN-FXUDXRNXSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423018830 277762422 /nfs/dbraw/zinc/76/24/22/277762422.db2.gz ZXMUMXKETDSDGC-HIFRSBDPSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000336603859 277983896 /nfs/dbraw/zinc/98/38/96/277983896.db2.gz MIEMMCYKIHXERS-SCAQPMJSSA-N 1 3 294.483 3.329 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)CN1CCCCC1 ZINC000510724605 278209624 /nfs/dbraw/zinc/20/96/24/278209624.db2.gz YZPNTRWMBRIJCH-DJIMGWMZSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000397287178 288022587 /nfs/dbraw/zinc/02/25/87/288022587.db2.gz VCFQPDSKNBXRPM-CKEIUWERSA-N 1 3 283.419 3.040 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CC1(C)C ZINC000397561277 288024169 /nfs/dbraw/zinc/02/41/69/288024169.db2.gz ARQIPDMHCQOHSJ-KBXIAJHMSA-N 1 3 250.430 3.028 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1CC1(C)C ZINC000397737040 288028585 /nfs/dbraw/zinc/02/85/85/288028585.db2.gz GWXMFYRYILLBMW-UGUYLWEFSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000160043601 278282134 /nfs/dbraw/zinc/28/21/34/278282134.db2.gz BLYXLRZGMXMISA-JKOKRWQUSA-N 1 3 297.240 3.227 20 0 CGADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000397832635 288031856 /nfs/dbraw/zinc/03/18/56/288031856.db2.gz RXHPPUPVAQYOPQ-BZUAXINKSA-N 1 3 250.430 3.243 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423452052 278311390 /nfs/dbraw/zinc/31/13/90/278311390.db2.gz VVUHMFHANVBRLD-MXWKQRLJSA-N 1 3 252.427 3.013 20 0 CGADHO C[C@@H]([C@H](C)[NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000422831651 278410139 /nfs/dbraw/zinc/41/01/39/278410139.db2.gz XASVAJGQSZMTFZ-DZKIICNBSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000410387872 279095766 /nfs/dbraw/zinc/09/57/66/279095766.db2.gz OMAGFRQSCMCCOJ-DLBZAZTESA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000410387872 279095769 /nfs/dbraw/zinc/09/57/69/279095769.db2.gz OMAGFRQSCMCCOJ-DLBZAZTESA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920582 279097543 /nfs/dbraw/zinc/09/75/43/279097543.db2.gz ZRMJVCHDUPYSQN-HRCADAONSA-N 1 3 254.462 3.427 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000049554231 279258502 /nfs/dbraw/zinc/25/85/02/279258502.db2.gz YXVNSVDDKWTOOF-RISCZKNCSA-N 1 3 282.428 3.292 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521899459 288142944 /nfs/dbraw/zinc/14/29/44/288142944.db2.gz XFJDIQSPJKDXBW-SRMUXQRQSA-N 1 3 296.842 3.276 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000361746182 288160663 /nfs/dbraw/zinc/16/06/63/288160663.db2.gz UVNSKKCNJZASNA-QXDIGNSFSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2(N)CCCCC2)c2ccccc21 ZINC000423184993 280008862 /nfs/dbraw/zinc/00/88/62/280008862.db2.gz UKJBIAFHEYILKM-BBRMVZONSA-N 1 3 258.409 3.486 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681216 288188002 /nfs/dbraw/zinc/18/80/02/288188002.db2.gz MHWVNLBNTCLXCS-MVJTYMMSSA-N 1 3 278.484 3.379 20 0 CGADHO C[C@]1(CN[C@@H]2CCCc3ccccc32)CCC[NH2+]C1 ZINC000423346179 280158450 /nfs/dbraw/zinc/15/84/50/280158450.db2.gz ZLGMVCZFEVXNNC-SJORKVTESA-N 1 3 258.409 3.043 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCCc3ccccc32)CCCNC1 ZINC000423346179 280158453 /nfs/dbraw/zinc/15/84/53/280158453.db2.gz ZLGMVCZFEVXNNC-SJORKVTESA-N 1 3 258.409 3.043 20 0 CGADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423166399 280296138 /nfs/dbraw/zinc/29/61/38/280296138.db2.gz ZDLFCKYWZFAIOE-BPLDGKMQSA-N 1 3 275.440 3.326 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530179906 288296651 /nfs/dbraw/zinc/29/66/51/288296651.db2.gz YPNLHEWVMUEAET-SJORKVTESA-N 1 3 272.436 3.190 20 0 CGADHO Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](N)c3ccccc31)C2 ZINC000423139945 281299780 /nfs/dbraw/zinc/29/97/80/281299780.db2.gz LPHLAMDBNGIQHY-ZTFGCOKTSA-N 1 3 294.398 3.033 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCOCC1 ZINC000532442736 288361086 /nfs/dbraw/zinc/36/10/86/288361086.db2.gz IFUJRZAHBRPZIA-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]1CC(CC[NH2+]C2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000549226566 289038316 /nfs/dbraw/zinc/03/83/16/289038316.db2.gz JTSBFSFLCHLVKK-GJZGRUSLSA-N 1 3 296.499 3.433 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000552281255 289178514 /nfs/dbraw/zinc/17/85/14/289178514.db2.gz NWQZOQJOBAOPSK-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000552281255 289178515 /nfs/dbraw/zinc/17/85/15/289178515.db2.gz NWQZOQJOBAOPSK-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554364281 289275975 /nfs/dbraw/zinc/27/59/75/289275975.db2.gz XJZXWZDVURQEFS-HOJAQTOUSA-N 1 3 298.474 3.329 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000334581485 289296981 /nfs/dbraw/zinc/29/69/81/289296981.db2.gz JMMAHWRXUBUAKL-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000334581485 289296984 /nfs/dbraw/zinc/29/69/84/289296984.db2.gz JMMAHWRXUBUAKL-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000334581485 289296986 /nfs/dbraw/zinc/29/69/86/289296986.db2.gz JMMAHWRXUBUAKL-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442796592 289303175 /nfs/dbraw/zinc/30/31/75/289303175.db2.gz UKWBFADJWOXTEL-NWINJMCUSA-N 1 3 274.399 3.273 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192932628 289380612 /nfs/dbraw/zinc/38/06/12/289380612.db2.gz FLFZYJJZGRGULT-RLFYNMQTSA-N 1 3 287.451 3.396 20 0 CGADHO CC(C)C1([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000559893737 289559724 /nfs/dbraw/zinc/55/97/24/289559724.db2.gz PFVKUQNOCCVWKP-HNNXBMFYSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCSC(F)(F)F ZINC000231940385 289727072 /nfs/dbraw/zinc/72/70/72/289727072.db2.gz ONVUCPGGLFOXKF-MNOVXSKESA-N 1 3 284.391 3.140 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc2ccccc2c1 ZINC000423393479 290020222 /nfs/dbraw/zinc/02/02/22/290020222.db2.gz MHCVRIPTONCZAD-QWQRMKEZSA-N 1 3 268.404 3.488 20 0 CGADHO COc1ccc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000093495843 295121226 /nfs/dbraw/zinc/12/12/26/295121226.db2.gz RZFCBDSJDGTRAP-DOTOQJQBSA-N 1 3 290.451 3.138 20 0 CGADHO NC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)C2CC3CC(C2)CC1C3 ZINC000423521660 295209729 /nfs/dbraw/zinc/20/97/29/295209729.db2.gz GKEFITRZJLKUON-JSCZNWRVSA-N 1 3 288.479 3.308 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000514862758 295241100 /nfs/dbraw/zinc/24/11/00/295241100.db2.gz HQANQZBPKBTQQU-JZXOWHBKSA-N 1 3 288.435 3.002 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000514862758 295241102 /nfs/dbraw/zinc/24/11/02/295241102.db2.gz HQANQZBPKBTQQU-JZXOWHBKSA-N 1 3 288.435 3.002 20 0 CGADHO COc1cccc(C(C)(C)CN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423002972 295289067 /nfs/dbraw/zinc/28/90/67/295289067.db2.gz KJIYPDLYYYQKGB-IAGOWNOFSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CCO)C1CCCCC1 ZINC000423001954 298877275 /nfs/dbraw/zinc/87/72/75/298877275.db2.gz FKLBGWFWODUSTO-NJAFHUGGSA-N 1 3 296.499 3.218 20 0 CGADHO Cc1cc(C)c2c(c1)[C@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000335500137 301211400 /nfs/dbraw/zinc/21/14/00/301211400.db2.gz MULDCGPQZNAYIO-QGZVFWFLSA-N 1 3 286.419 3.026 20 0 CGADHO Cc1cccnc1CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423153986 302235859 /nfs/dbraw/zinc/23/58/59/302235859.db2.gz OLKHHGHNZKNPBB-SJORKVTESA-N 1 3 289.467 3.223 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000089146236 303422393 /nfs/dbraw/zinc/42/23/93/303422393.db2.gz VFEGDSANERPJIQ-BXUZGUMPSA-N 1 3 286.341 3.313 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C(C2CC2)C2CC2)C1 ZINC000158652362 321820628 /nfs/dbraw/zinc/82/06/28/321820628.db2.gz GFIDTTWRFMIPCF-ZIAGYGMSSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3cccc(F)c3[C@H]2C)CC[NH2+]1 ZINC000563796197 322010636 /nfs/dbraw/zinc/01/06/36/322010636.db2.gz UQFKTKWZUBQLFI-MGPQQGTHSA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000564824562 322045364 /nfs/dbraw/zinc/04/53/64/322045364.db2.gz JQGRUSCIVCQFNO-CRAIPNDOSA-N 1 3 290.451 3.089 20 0 CGADHO Cc1ccc(-c2nc(CCN[C@@H]3CCC[C@@H]([NH3+])C3)co2)cc1 ZINC000565226566 322067982 /nfs/dbraw/zinc/06/79/82/322067982.db2.gz LPNHRZANSJMHJO-HZPDHXFCSA-N 1 3 299.418 3.052 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000565226699 322068437 /nfs/dbraw/zinc/06/84/37/322068437.db2.gz MLIGKPADHPYUBN-IAGOWNOFSA-N 1 3 274.452 3.386 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000565226699 322068439 /nfs/dbraw/zinc/06/84/39/322068439.db2.gz MLIGKPADHPYUBN-IAGOWNOFSA-N 1 3 274.452 3.386 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@@H]3CCC[C@H](N)C3)c[nH]c21 ZINC000565227273 322068467 /nfs/dbraw/zinc/06/84/67/322068467.db2.gz XGMNQDIBPXMNNA-JKSUJKDBSA-N 1 3 285.435 3.132 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000565783523 322090968 /nfs/dbraw/zinc/09/09/68/322090968.db2.gz BFKCTGRDVLKRLX-IAGOWNOFSA-N 1 3 290.451 3.268 20 0 CGADHO CCCCOc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000565783523 322090969 /nfs/dbraw/zinc/09/09/69/322090969.db2.gz BFKCTGRDVLKRLX-IAGOWNOFSA-N 1 3 290.451 3.268 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000567613628 322170537 /nfs/dbraw/zinc/17/05/37/322170537.db2.gz FVTXDULZMUGAIO-QGZVFWFLSA-N 1 3 282.387 3.149 20 0 CGADHO CC[NH+]1CCC(CNCc2c(F)cc(C)cc2F)CC1 ZINC000567660870 322172060 /nfs/dbraw/zinc/17/20/60/322172060.db2.gz DGAGXKWBYIHUKK-UHFFFAOYSA-N 1 3 282.378 3.095 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000568784527 322222624 /nfs/dbraw/zinc/22/26/24/322222624.db2.gz GIAPGAMZOPIYBG-WBVHZDCISA-N 1 3 264.457 3.419 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC000569473155 322248317 /nfs/dbraw/zinc/24/83/17/322248317.db2.gz VOJZDVBJGBJDKP-HUUCEWRRSA-N 1 3 266.816 3.132 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000582779587 329185249 /nfs/dbraw/zinc/18/52/49/329185249.db2.gz ZHRNBOXKSJEISH-WNZJFKNXSA-N 1 3 273.424 3.078 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000582779585 329185360 /nfs/dbraw/zinc/18/53/60/329185360.db2.gz ZHRNBOXKSJEISH-VBRUCIBASA-N 1 3 273.424 3.078 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000582795935 329207970 /nfs/dbraw/zinc/20/79/70/329207970.db2.gz FDUVCLRQLLIMPB-ZNMIVQPWSA-N 1 3 278.465 3.335 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000583024538 329299522 /nfs/dbraw/zinc/29/95/22/329299522.db2.gz BJFFZJKIHSXXTD-LSDHHAIUSA-N 1 3 299.418 3.398 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000576822325 335252031 /nfs/dbraw/zinc/25/20/31/335252031.db2.gz BFGQSKADLMVSLU-MJGOQNOKSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000576822325 335252032 /nfs/dbraw/zinc/25/20/32/335252032.db2.gz BFGQSKADLMVSLU-MJGOQNOKSA-N 1 3 286.463 3.331 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC000579613498 335822834 /nfs/dbraw/zinc/82/28/34/335822834.db2.gz RNJXMJYLUTVFGL-IXDOHACOSA-N 1 3 258.409 3.040 20 0 CGADHO Nc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000581178730 336019860 /nfs/dbraw/zinc/01/98/60/336019860.db2.gz KEHMKNKDNFBXRM-LJQANCHMSA-N 1 3 299.462 3.110 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000581456588 336080219 /nfs/dbraw/zinc/08/02/19/336080219.db2.gz LRCDEUPJIPUCTA-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000581456588 336080220 /nfs/dbraw/zinc/08/02/20/336080220.db2.gz LRCDEUPJIPUCTA-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000581456588 336080221 /nfs/dbraw/zinc/08/02/21/336080221.db2.gz LRCDEUPJIPUCTA-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000581456588 336080222 /nfs/dbraw/zinc/08/02/22/336080222.db2.gz LRCDEUPJIPUCTA-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CC(C)C[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000581488470 336088428 /nfs/dbraw/zinc/08/84/28/336088428.db2.gz JKUGNAKRNQTHTF-JQHSSLGASA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000581488470 336088430 /nfs/dbraw/zinc/08/84/30/336088430.db2.gz JKUGNAKRNQTHTF-JQHSSLGASA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000581488470 336088431 /nfs/dbraw/zinc/08/84/31/336088431.db2.gz JKUGNAKRNQTHTF-JQHSSLGASA-N 1 3 274.452 3.485 20 0 CGADHO CSCC1CCC([NH2+]CCCN(C)C(C)C)CC1 ZINC000385619824 336152866 /nfs/dbraw/zinc/15/28/66/336152866.db2.gz DRGWNHHHRHMOHO-UHFFFAOYSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414945451 533734810 /nfs/dbraw/zinc/73/48/10/533734810.db2.gz IITDQZFJLJGRNI-INMHGKMJSA-N 1 3 274.452 3.473 20 0 CGADHO COc1cccc2c(CN(C)C[C@H]3CC[N@H+](C)C3)cccc12 ZINC000449264978 533833869 /nfs/dbraw/zinc/83/38/69/533833869.db2.gz OHFSWSPUTNEHLK-HNNXBMFYSA-N 1 3 298.430 3.232 20 0 CGADHO COc1cccc2c(CN(C)C[C@H]3CC[N@@H+](C)C3)cccc12 ZINC000449264978 533833878 /nfs/dbraw/zinc/83/38/78/533833878.db2.gz OHFSWSPUTNEHLK-HNNXBMFYSA-N 1 3 298.430 3.232 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(-c2ccncc2)cc1 ZINC000423343182 533834918 /nfs/dbraw/zinc/83/49/18/533834918.db2.gz ZJUXTIUOFUOJIK-AWEZNQCLSA-N 1 3 281.403 3.281 20 0 CGADHO C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000423365247 533925239 /nfs/dbraw/zinc/92/52/39/533925239.db2.gz WHRXWPGOBOFNJR-ZDUSSCGKSA-N 1 3 258.409 3.348 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccs1 ZINC000037644216 535804730 /nfs/dbraw/zinc/80/47/30/535804730.db2.gz IZMPJXOOCRLFQB-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000037644216 535804731 /nfs/dbraw/zinc/80/47/31/535804731.db2.gz IZMPJXOOCRLFQB-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644216 535804732 /nfs/dbraw/zinc/80/47/32/535804732.db2.gz IZMPJXOOCRLFQB-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO CSc1ccc(CN2CCC(C[NH+](C)C)CC2)s1 ZINC000356092845 534204695 /nfs/dbraw/zinc/20/46/95/534204695.db2.gz VFTVXPHBKZKOGN-UHFFFAOYSA-N 1 3 284.494 3.244 20 0 CGADHO c1cc2cccc(C[NH2+]CCCN3CCCCC3)c2o1 ZINC000449066846 534476252 /nfs/dbraw/zinc/47/62/52/534476252.db2.gz GGVSWMLWOFBZPJ-UHFFFAOYSA-N 1 3 272.392 3.398 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000423321076 534480936 /nfs/dbraw/zinc/48/09/36/534480936.db2.gz GBCAZZCPQPBVMQ-TZMCWYRMSA-N 1 3 252.427 3.097 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423321076 534480944 /nfs/dbraw/zinc/48/09/44/534480944.db2.gz GBCAZZCPQPBVMQ-TZMCWYRMSA-N 1 3 252.427 3.097 20 0 CGADHO Clc1cccc([C@@H]2CCC[C@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423434147 534648796 /nfs/dbraw/zinc/64/87/96/534648796.db2.gz PYNZBJAOKMHHCM-SOKJMZBUSA-N 1 3 290.838 3.174 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1(C)C ZINC000477915036 534912035 /nfs/dbraw/zinc/91/20/35/534912035.db2.gz HLJSFSLLMRKZOS-JKSUJKDBSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)O[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000477915036 534912038 /nfs/dbraw/zinc/91/20/38/534912038.db2.gz HLJSFSLLMRKZOS-JKSUJKDBSA-N 1 3 296.499 3.290 20 0 CGADHO Fc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157460069 526382555 /nfs/dbraw/zinc/38/25/55/526382555.db2.gz GYZKVPHBPZQVPS-XYQBIQKZSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000157460069 526382561 /nfs/dbraw/zinc/38/25/61/526382561.db2.gz GYZKVPHBPZQVPS-XYQBIQKZSA-N 1 3 288.410 3.288 20 0 CGADHO c1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000151381550 526465525 /nfs/dbraw/zinc/46/55/25/526465525.db2.gz MYRDTTKYLXZLFX-UHFFFAOYSA-N 1 3 287.451 3.011 20 0 CGADHO c1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)nc1 ZINC000151381550 526465530 /nfs/dbraw/zinc/46/55/30/526465530.db2.gz MYRDTTKYLXZLFX-UHFFFAOYSA-N 1 3 287.451 3.011 20 0 CGADHO Cc1nc(C)c([C@H](C)[NH2+]CCCN2CCCCC2)s1 ZINC000111359984 526753769 /nfs/dbraw/zinc/75/37/69/526753769.db2.gz NVGZTJKRGUERAN-LBPRGKRZSA-N 1 3 281.469 3.287 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288616 527818926 /nfs/dbraw/zinc/81/89/26/527818926.db2.gz QUWNVETUQYDMMC-BHYGNILZSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288616 527818928 /nfs/dbraw/zinc/81/89/28/527818928.db2.gz QUWNVETUQYDMMC-BHYGNILZSA-N 1 3 264.457 3.252 20 0 CGADHO CCC[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000449374783 528151731 /nfs/dbraw/zinc/15/17/31/528151731.db2.gz GGVSQIUBWDPUBF-CGTJXYLNSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)c1cnc(CNC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000415027899 528216215 /nfs/dbraw/zinc/21/62/15/528216215.db2.gz XMLOBYHISKOFJA-JOCQHMNTSA-N 1 3 281.469 3.121 20 0 CGADHO CC(C)c1nc([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)cs1 ZINC000423261921 528301424 /nfs/dbraw/zinc/30/14/24/528301424.db2.gz TYSYJVZZLUJLNA-OLZOCXBDSA-N 1 3 281.469 3.307 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCN ZINC000437795198 528345865 /nfs/dbraw/zinc/34/58/65/528345865.db2.gz GFLFUWLQZGDIND-HNNXBMFYSA-N 1 3 268.832 3.236 20 0 CGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN ZINC000423302316 528437897 /nfs/dbraw/zinc/43/78/97/528437897.db2.gz VLMDUFDOFYDAKR-CZUORRHYSA-N 1 3 282.859 3.482 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423261351 528534236 /nfs/dbraw/zinc/53/42/36/528534236.db2.gz JUHDUIIVKRDMAH-GWCFXTLKSA-N 1 3 285.229 3.083 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423289078 528954977 /nfs/dbraw/zinc/95/49/77/528954977.db2.gz WBMHXMLDZZPBDW-HNNXBMFYSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423345367 529158054 /nfs/dbraw/zinc/15/80/54/529158054.db2.gz NUDYAUNQFGNZKB-CQSZACIVSA-N 1 3 296.361 3.248 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(Br)c1 ZINC000423315893 529178744 /nfs/dbraw/zinc/17/87/44/529178744.db2.gz JGEAOXAZZLCGMD-UONOGXRCSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423452919 529204166 /nfs/dbraw/zinc/20/41/66/529204166.db2.gz ZNOGQBNXYZFQLM-IAOVAPTHSA-N 1 3 294.389 3.394 20 0 CGADHO CC[NH+](CC)CC1CCN(CCc2ccccc2F)CC1 ZINC000469895493 535496549 /nfs/dbraw/zinc/49/65/49/535496549.db2.gz CNHMJZNRVPABQY-UHFFFAOYSA-N 1 3 292.442 3.422 20 0 CGADHO FC1(F)CC[C@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000336187628 571788069 /nfs/dbraw/zinc/78/80/69/571788069.db2.gz NCKDXAOMMBEFEH-GJZGRUSLSA-N 1 3 286.410 3.372 20 0 CGADHO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccccc1)CC(C)C ZINC000066242744 617677276 /nfs/dbraw/zinc/67/72/76/617677276.db2.gz YBGDOCKGZNCMPC-INIZCTEOSA-N 1 3 290.455 3.379 20 0 CGADHO CC(C)Cc1ccc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000891612103 618241943 /nfs/dbraw/zinc/24/19/43/618241943.db2.gz LMHHWVYJBOQCFO-UHFFFAOYSA-N 1 3 289.467 3.054 20 0 CGADHO CSC1(C[NH2+]C2CCN(CCC(C)C)CC2)CCC1 ZINC000926314874 618441430 /nfs/dbraw/zinc/44/14/30/618441430.db2.gz IUYAPTRCVDQZDI-UHFFFAOYSA-N 1 3 284.513 3.372 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000236570962 618868852 /nfs/dbraw/zinc/86/88/52/618868852.db2.gz JBTRAWCLJZUVAD-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO c1csc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925509641 619004308 /nfs/dbraw/zinc/00/43/08/619004308.db2.gz NJDCALQYBSJAGP-JKSUJKDBSA-N 1 3 278.465 3.049 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000925706817 619155198 /nfs/dbraw/zinc/15/51/98/619155198.db2.gz GSKWFGNSNNSOMX-UYTYNIKBSA-N 1 3 276.468 3.181 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000925720009 619164940 /nfs/dbraw/zinc/16/49/40/619164940.db2.gz COHICAKCPJTIPK-DRBLLZIRSA-N 1 3 258.409 3.101 20 0 CGADHO C[C@H]1C[C@H](NCCCCCC2CC[NH2+]CC2)c2nccn21 ZINC000925805954 619256691 /nfs/dbraw/zinc/25/66/91/619256691.db2.gz ADWMAZOYYZKXKU-HOCLYGCPSA-N 1 3 290.455 3.039 20 0 CGADHO Cc1cnc(CN[C@@H](CCC[NH3+])c2ccccc2)c(C)c1 ZINC000925838536 619288709 /nfs/dbraw/zinc/28/87/09/619288709.db2.gz YPKIMHUJPYSSSB-KRWDZBQOSA-N 1 3 283.419 3.268 20 0 CGADHO CC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000925839743 619289922 /nfs/dbraw/zinc/28/99/22/619289922.db2.gz DBAALFDTPQCHQC-BRWVUGGUSA-N 1 3 258.409 3.260 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCS1 ZINC000925857079 619297807 /nfs/dbraw/zinc/29/78/07/619297807.db2.gz HCKMLLNTTJHJEV-DTZQCDIJSA-N 1 3 282.497 3.028 20 0 CGADHO COCCCC1(C[NH2+]CC(C)(C)CN2CCCC2)CCC1 ZINC000893999781 619348800 /nfs/dbraw/zinc/34/88/00/619348800.db2.gz NCBGQCIZLGSVEC-UHFFFAOYSA-N 1 3 296.499 3.295 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1coc2ccccc12 ZINC000925010203 619489575 /nfs/dbraw/zinc/48/95/75/619489575.db2.gz LGJYDJPTYXZTQE-ZIAGYGMSSA-N 1 3 272.392 3.425 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010203 619489578 /nfs/dbraw/zinc/48/95/78/619489578.db2.gz LGJYDJPTYXZTQE-ZIAGYGMSSA-N 1 3 272.392 3.425 20 0 CGADHO Fc1ccc(Cl)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262094978 619704892 /nfs/dbraw/zinc/70/48/92/619704892.db2.gz HVQJARRKFZZUCT-UHFFFAOYSA-N 1 3 282.790 3.055 20 0 CGADHO C[C@@H](CC[NH2+]Cc1cc2nc(Cl)ccc2s1)N(C)C ZINC000895293246 619798291 /nfs/dbraw/zinc/79/82/91/619798291.db2.gz WQGWAJWUBTUBCO-JTQLQIEISA-N 1 3 297.855 3.380 20 0 CGADHO Cc1ccoc1CN(C)CCCC[NH+]1CCCCC1 ZINC000895683542 619872644 /nfs/dbraw/zinc/87/26/44/619872644.db2.gz NFHLLJUDDUUJTN-UHFFFAOYSA-N 1 3 264.413 3.286 20 0 CGADHO CC[C@H]1C[C@H](C[NH+]2CCC(CC)(N3CCC3)CC2)CCO1 ZINC000895828506 619890397 /nfs/dbraw/zinc/89/03/97/619890397.db2.gz VPUYFPJKQVUVQX-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H](CN[C@H](CC[NH+](C)C)c1cccnc1)C(C)(C)C ZINC000896720989 620049575 /nfs/dbraw/zinc/04/95/75/620049575.db2.gz KTRLMFNGHZMSMO-GOEBONIOSA-N 1 3 277.456 3.346 20 0 CGADHO COc1ccc2cc(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2c1 ZINC000262552116 620206474 /nfs/dbraw/zinc/20/64/74/620206474.db2.gz SQEDIRJUPZNRHY-KDOFPFPSSA-N 1 3 298.430 3.265 20 0 CGADHO CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219016 620235003 /nfs/dbraw/zinc/23/50/03/620235003.db2.gz ASGDZHUCVXQXBN-ZWKOTPCHSA-N 1 3 294.483 3.044 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1C ZINC000902405871 621291890 /nfs/dbraw/zinc/29/18/90/621291890.db2.gz PWSUKRDGWFKTNJ-GDBMZVCRSA-N 1 3 290.451 3.432 20 0 CGADHO Cc1cc2cc(CN[C@H]3CC[NH2+]CC(C)(C)C3)ccc2[nH]1 ZINC000902384756 621299851 /nfs/dbraw/zinc/29/98/51/621299851.db2.gz OIYWFCRVDWYIOD-INIZCTEOSA-N 1 3 285.435 3.344 20 0 CGADHO C1CCC([C@@H]2CNCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902442248 621320875 /nfs/dbraw/zinc/32/08/75/621320875.db2.gz AORRKLVFLGTEDX-QHEDDYRISA-N 1 3 294.508 3.171 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)CC1)C1CNC1 ZINC000902451157 621330393 /nfs/dbraw/zinc/33/03/93/621330393.db2.gz FUJXWZMOYBHWNT-LESCRADOSA-N 1 3 272.436 3.300 20 0 CGADHO Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)cc1 ZINC000902466901 621339379 /nfs/dbraw/zinc/33/93/79/621339379.db2.gz OLPAMWXNJPSYCF-LMLQULGWSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902467624 621339691 /nfs/dbraw/zinc/33/96/91/621339691.db2.gz PUEJXSWZKAASND-HUEQCLLISA-N 1 3 278.827 3.315 20 0 CGADHO CCO[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000902832960 621466256 /nfs/dbraw/zinc/46/62/56/621466256.db2.gz SNRLAELVGBBIOH-AEFFLSMTSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCN(C2CCC2)C1 ZINC000903147717 621610106 /nfs/dbraw/zinc/61/01/06/621610106.db2.gz MULQKCVOURPMFD-CZIKEKGBSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)(C)O[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903194480 621621329 /nfs/dbraw/zinc/62/13/29/621621329.db2.gz NRPNVONZNOIVTP-JQZGTUITSA-N 1 3 292.467 3.080 20 0 CGADHO CC(C)(C)O[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903194480 621621331 /nfs/dbraw/zinc/62/13/31/621621331.db2.gz NRPNVONZNOIVTP-JQZGTUITSA-N 1 3 292.467 3.080 20 0 CGADHO CCC[C@H](CC)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379942 621722139 /nfs/dbraw/zinc/72/21/39/621722139.db2.gz JEYBAVZZLNAVBO-JKSUJKDBSA-N 1 3 263.429 3.243 20 0 CGADHO CCC[C@H](CC)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379939 621722749 /nfs/dbraw/zinc/72/27/49/621722749.db2.gz JEYBAVZZLNAVBO-HOTGVXAUSA-N 1 3 263.429 3.243 20 0 CGADHO C[C@@H]1CCC[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903381865 621724129 /nfs/dbraw/zinc/72/41/29/621724129.db2.gz AIUWZYJUJBJJTI-HYVNUMGLSA-N 1 3 275.440 3.243 20 0 CGADHO Cc1cc(CNCCC(C)(C)[NH3+])ccc1Oc1cccnc1 ZINC000903938867 621834016 /nfs/dbraw/zinc/83/40/16/621834016.db2.gz NWNFQOXSAFMEGA-UHFFFAOYSA-N 1 3 299.418 3.399 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000151116686 622731063 /nfs/dbraw/zinc/73/10/63/622731063.db2.gz XDZQHIOYXWJFKG-KBPBESRZSA-N 1 3 272.502 3.228 20 0 CGADHO CO[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000163911873 622808307 /nfs/dbraw/zinc/80/83/07/622808307.db2.gz UHEBWDMJXBXVII-ROUUACIJSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@H]1CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000163911873 622808308 /nfs/dbraw/zinc/80/83/08/622808308.db2.gz UHEBWDMJXBXVII-ROUUACIJSA-N 1 3 294.483 3.188 20 0 CGADHO COc1ccc2c(c1)nccc2N1CCC[C@@H]([NH+](C)C)CC1 ZINC000758211072 626833456 /nfs/dbraw/zinc/83/34/56/626833456.db2.gz ORFOQQMXULPTJO-CQSZACIVSA-N 1 3 299.418 3.164 20 0 CGADHO C[C@H]1COCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000762652149 627119128 /nfs/dbraw/zinc/11/91/28/627119128.db2.gz WAJCOYUHJOFSSU-YJBOKZPZSA-N 1 3 294.483 3.046 20 0 CGADHO CN(Cc1cccs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000768160071 627464261 /nfs/dbraw/zinc/46/42/61/627464261.db2.gz MWGKSLCDNBKHGF-UHFFFAOYSA-N 1 3 274.433 3.442 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546091 629603057 /nfs/dbraw/zinc/60/30/57/629603057.db2.gz JFXRHWYITJIUMX-STQMWFEESA-N 1 3 279.334 3.006 20 0 CGADHO C[NH+](C)Cc1ccc(-c2cccc([C@H]3CNCCO3)c2)cc1 ZINC000863691299 629647416 /nfs/dbraw/zinc/64/74/16/629647416.db2.gz ABXIXGXTTRVAEY-LJQANCHMSA-N 1 3 296.414 3.076 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000817893897 632230527 /nfs/dbraw/zinc/23/05/27/632230527.db2.gz HQJRBVRDMQFSSK-NWDGAFQWSA-N 1 3 263.429 3.182 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000817969876 632262216 /nfs/dbraw/zinc/26/22/16/632262216.db2.gz HDKGEZSEWNSNHX-KKUMJFAQSA-N 1 3 276.424 3.233 20 0 CGADHO COc1c(C)cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1Cl ZINC000817980638 632269997 /nfs/dbraw/zinc/26/99/97/632269997.db2.gz WEAIBTFTPGYXFN-VWYCJHECSA-N 1 3 270.804 3.043 20 0 CGADHO Fc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000866229219 633036478 /nfs/dbraw/zinc/03/64/78/633036478.db2.gz ONBPDMFJWVYMHM-UGSOOPFHSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1cccc2c1CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866229219 633036481 /nfs/dbraw/zinc/03/64/81/633036481.db2.gz ONBPDMFJWVYMHM-UGSOOPFHSA-N 1 3 288.410 3.277 20 0 CGADHO CC(C)[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccn1 ZINC000866341814 633088392 /nfs/dbraw/zinc/08/83/92/633088392.db2.gz ZVJSJZDJMNHJRY-QGZVFWFLSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000866706582 633234755 /nfs/dbraw/zinc/23/47/55/633234755.db2.gz OWEYPNAVGVJNLS-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000866706582 633234757 /nfs/dbraw/zinc/23/47/57/633234757.db2.gz OWEYPNAVGVJNLS-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000872017397 633937887 /nfs/dbraw/zinc/93/78/87/633937887.db2.gz AVNRHSWYCDTQPW-ZACQAIPSSA-N 1 3 282.472 3.046 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872019556 633939497 /nfs/dbraw/zinc/93/94/97/633939497.db2.gz WSFGTRDPOJJBTF-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@H]1CCCOC1 ZINC000872062232 633983727 /nfs/dbraw/zinc/98/37/27/633983727.db2.gz LQMRLVJMZCCEOG-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873020179 634232076 /nfs/dbraw/zinc/23/20/76/634232076.db2.gz IJJGZSXRCDCAAU-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873020179 634232080 /nfs/dbraw/zinc/23/20/80/634232080.db2.gz IJJGZSXRCDCAAU-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873029869 634234468 /nfs/dbraw/zinc/23/44/68/634234468.db2.gz UMCTWUZOYRUMEE-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873029869 634234473 /nfs/dbraw/zinc/23/44/73/634234473.db2.gz UMCTWUZOYRUMEE-OAHLLOKOSA-N 1 3 283.419 3.055 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC000873243590 634298299 /nfs/dbraw/zinc/29/82/99/634298299.db2.gz YNYLJRYJLBEHML-CYBMUJFWSA-N 1 3 287.451 3.470 20 0 CGADHO CC(C)c1nc([C@@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000873263069 634309485 /nfs/dbraw/zinc/30/94/85/634309485.db2.gz FGVGPVULGULJKD-YIYPIFLZSA-N 1 3 293.480 3.448 20 0 CGADHO C[C@H]1CN(C[C@H]2CCC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880258781 635959182 /nfs/dbraw/zinc/95/91/82/635959182.db2.gz JLXOLGNAZLJGLG-KBPBESRZSA-N 1 3 295.377 3.028 20 0 CGADHO Cc1ccc(C)c(C[NH+]2CCC(C)(N3CCC3)CC2)c1 ZINC000880471159 636007433 /nfs/dbraw/zinc/00/74/33/636007433.db2.gz QXVSHBACZYZNIC-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CC1([NH+]2CCC2)CCN(CCCC2CCC2)CC1 ZINC000880475560 636007776 /nfs/dbraw/zinc/00/77/76/636007776.db2.gz WJHJBPQUHVCZPI-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC(C)CCC[C@H](C)NC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000849053469 636733810 /nfs/dbraw/zinc/73/38/10/636733810.db2.gz MATSXHTVBRPUCK-INIZCTEOSA-N 1 3 298.519 3.434 20 0 CGADHO Cc1cnc(CNC2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886532682 637557852 /nfs/dbraw/zinc/55/78/52/637557852.db2.gz MWIWFZYDSVZVQP-UHFFFAOYSA-N 1 3 293.480 3.338 20 0 CGADHO FC1(F)CCC[C@H]1CCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876211 637715914 /nfs/dbraw/zinc/71/59/14/637715914.db2.gz XMYXDPYFHKLQNK-GJZGRUSLSA-N 1 3 286.410 3.278 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1OC ZINC000222939944 637834989 /nfs/dbraw/zinc/83/49/89/637834989.db2.gz XTXYPMRJVLNZQI-IPYPFGDCSA-N 1 3 262.397 3.006 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](c3ccccc3)C1)[NH2+]2 ZINC000925605798 638544380 /nfs/dbraw/zinc/54/43/80/638544380.db2.gz STSPOKBNTAZCNF-BULOIVJKSA-N 1 3 270.420 3.051 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC/C=C/c2ccccc2)C1 ZINC000925614288 638544935 /nfs/dbraw/zinc/54/49/35/638544935.db2.gz XQRJTAXIDHWCOM-HKFHSAMXSA-N 1 3 258.409 3.195 20 0 CGADHO C[C@H]([NH3+])[C@H](NCC1CCC(F)CC1)c1ccccc1 ZINC000925714578 638577473 /nfs/dbraw/zinc/57/74/73/638577473.db2.gz ZWVYSAJQTKXLTM-QTISTPMNSA-N 1 3 264.388 3.193 20 0 CGADHO CCC1([NH3+])CCN([C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000925756975 638599784 /nfs/dbraw/zinc/59/97/84/638599784.db2.gz QOIFQUMKSLMHPQ-KRWDZBQOSA-N 1 3 272.436 3.211 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)c2ccccc21 ZINC000925776727 638608869 /nfs/dbraw/zinc/60/88/69/638608869.db2.gz ZYCIVGSOEPKEPN-XYPHTWIQSA-N 1 3 286.419 3.070 20 0 CGADHO C[C@H]([NH3+])[C@@H](NCC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800997 638615995 /nfs/dbraw/zinc/61/59/95/638615995.db2.gz HXNYONBJHXHPHF-SMMMKCNCSA-N 1 3 290.476 3.339 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNc2ccnc(CO)c2)c1 ZINC000858353073 638690125 /nfs/dbraw/zinc/69/01/25/638690125.db2.gz INSBFLMEKOQVRE-UHFFFAOYSA-N 1 3 299.418 3.028 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1(Cl)CC1 ZINC000926146873 638722423 /nfs/dbraw/zinc/72/24/23/638722423.db2.gz XHPDVZKZTFMKFZ-QWHCGFSZSA-N 1 3 258.837 3.000 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)CCO2 ZINC000858490615 638741090 /nfs/dbraw/zinc/74/10/90/638741090.db2.gz KXHIQIGDOJMWIJ-GJZGRUSLSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CCCO)CN1CCCC1 ZINC000926276587 638758005 /nfs/dbraw/zinc/75/80/05/638758005.db2.gz YJAMTOAOPAOGFP-DLBZAZTESA-N 1 3 296.499 3.029 20 0 CGADHO C([NH2+]C1CC2(C1)CCCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000926739777 638805660 /nfs/dbraw/zinc/80/56/60/638805660.db2.gz YYEPNDGYWBRSMR-MRXNPFEDSA-N 1 3 276.468 3.421 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926755200 638807289 /nfs/dbraw/zinc/80/72/89/638807289.db2.gz VFBNKWVOXAUBNR-UKRRQHHQSA-N 1 3 252.446 3.133 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780143 638950333 /nfs/dbraw/zinc/95/03/33/638950333.db2.gz LCGXGIKBCCPBTB-YOEHRIQHSA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780143 638950335 /nfs/dbraw/zinc/95/03/35/638950335.db2.gz LCGXGIKBCCPBTB-YOEHRIQHSA-N 1 3 278.415 3.173 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1CF)C2 ZINC000930601910 639035915 /nfs/dbraw/zinc/03/59/15/639035915.db2.gz LQUPIJFKIUEZBU-KRWDZBQOSA-N 1 3 276.399 3.074 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1CF)C2 ZINC000930601910 639035917 /nfs/dbraw/zinc/03/59/17/639035917.db2.gz LQUPIJFKIUEZBU-KRWDZBQOSA-N 1 3 276.399 3.074 20 0 CGADHO CN(C)C1(C)CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000931352164 639139584 /nfs/dbraw/zinc/13/95/84/639139584.db2.gz FHGJKXHABGEMLN-HNNXBMFYSA-N 1 3 250.430 3.291 20 0 CGADHO CCSc1ccccc1CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931442496 639149953 /nfs/dbraw/zinc/14/99/53/639149953.db2.gz IUPIRZTZCZDWEM-GOEBONIOSA-N 1 3 290.476 3.182 20 0 CGADHO CCSc1ccccc1CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931442496 639149956 /nfs/dbraw/zinc/14/99/56/639149956.db2.gz IUPIRZTZCZDWEM-GOEBONIOSA-N 1 3 290.476 3.182 20 0 CGADHO CC(C)(C)OC[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000932171171 639286829 /nfs/dbraw/zinc/28/68/29/639286829.db2.gz VLRRYEGZAMTLOD-INIZCTEOSA-N 1 3 282.472 3.142 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000246833880 640695385 /nfs/dbraw/zinc/69/53/85/640695385.db2.gz BFGJYGUOGTUVLG-MGPQQGTHSA-N 1 3 272.502 3.369 20 0 CGADHO CC(C)(C)c1cc(NC=C2CC[NH2+]CC2)sn1 ZINC001159281243 806073658 /nfs/dbraw/zinc/07/36/58/806073658.db2.gz UUEOLVVESPERQN-UHFFFAOYSA-N 1 3 251.399 3.120 20 0 CGADHO CC(C)(C)c1cc(N=CC2CC[NH2+]CC2)sn1 ZINC001159281243 806073668 /nfs/dbraw/zinc/07/36/68/806073668.db2.gz UUEOLVVESPERQN-UHFFFAOYSA-N 1 3 251.399 3.120 20 0 CGADHO CN1CCC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001254497022 806418629 /nfs/dbraw/zinc/41/86/29/806418629.db2.gz DSVKZRUQMQAYGK-LBPRGKRZSA-N 1 3 270.779 3.053 20 0 CGADHO CN1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001254500545 806420624 /nfs/dbraw/zinc/42/06/24/806420624.db2.gz JUMFZOXKXMHGHH-MRXNPFEDSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@@H+]1CCC[C@@H](NCc2ccccc2C2CC2)CC1 ZINC001254500545 806420627 /nfs/dbraw/zinc/42/06/27/806420627.db2.gz JUMFZOXKXMHGHH-MRXNPFEDSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@H+]1CCC[C@@H](NCc2ccccc2C2CC2)CC1 ZINC001254500545 806420633 /nfs/dbraw/zinc/42/06/33/806420633.db2.gz JUMFZOXKXMHGHH-MRXNPFEDSA-N 1 3 258.409 3.138 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@H]2CCCN(C)CC2)c(C)c1 ZINC001254500975 806420653 /nfs/dbraw/zinc/42/06/53/806420653.db2.gz NICWLJATYVMYPS-INIZCTEOSA-N 1 3 260.425 3.186 20 0 CGADHO CN1CCC[C@@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001254528039 806442979 /nfs/dbraw/zinc/44/29/79/806442979.db2.gz BUKJSTHWEFJAAQ-HUUCEWRRSA-N 1 3 268.420 3.075 20 0 CGADHO C[C@@H](N)c1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255382900 806629774 /nfs/dbraw/zinc/62/97/74/806629774.db2.gz YKSHLDYDMYKTCM-NVXWUHKLSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@@H](N)c1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382900 806629776 /nfs/dbraw/zinc/62/97/76/806629776.db2.gz YKSHLDYDMYKTCM-NVXWUHKLSA-N 1 3 298.434 3.130 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001255527560 806663497 /nfs/dbraw/zinc/66/34/97/806663497.db2.gz OPFQTPVGWFMRMC-DLBZAZTESA-N 1 3 290.451 3.227 20 0 CGADHO C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc(CN(C)C)n2)c1 ZINC001162910870 806684290 /nfs/dbraw/zinc/68/42/90/806684290.db2.gz XNIZJXIAVZHISM-ZDUSSCGKSA-N 1 3 294.402 3.107 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690346 806706659 /nfs/dbraw/zinc/70/66/59/806706659.db2.gz UPFJAJQVQBPJNT-VXGBXAGGSA-N 1 3 266.351 3.167 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255690346 806706665 /nfs/dbraw/zinc/70/66/65/806706665.db2.gz UPFJAJQVQBPJNT-VXGBXAGGSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000339084284 799280019 /nfs/dbraw/zinc/28/00/19/799280019.db2.gz JRRCYUXQHMIRIM-UGUYLWEFSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCNCC1(C)C ZINC000388641809 799454903 /nfs/dbraw/zinc/45/49/03/799454903.db2.gz KHQOKRUOKFKTOO-IUODEOHRSA-N 1 3 280.843 3.249 20 0 CGADHO CCCC[C@H](CC)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403312334 799565331 /nfs/dbraw/zinc/56/53/31/799565331.db2.gz YZCNRTMIPLXOIH-STQMWFEESA-N 1 3 262.388 3.119 20 0 CGADHO C[C@@H]1CCCN(CC[C@H]2CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC000404451769 799577253 /nfs/dbraw/zinc/57/72/53/799577253.db2.gz ZDHJZUBYNKOJOM-GRYCIOLGSA-N 1 3 279.255 3.020 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3OC2)c2ccccc21 ZINC000423109554 799598401 /nfs/dbraw/zinc/59/84/01/799598401.db2.gz HQRLYRFPKWUGGZ-QGTPRVQTSA-N 1 3 294.398 3.115 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)N(C)C ZINC000697889872 799849641 /nfs/dbraw/zinc/84/96/41/799849641.db2.gz NCEGXJBQCHMNAP-WOPDTQHZSA-N 1 3 266.351 3.037 20 0 CGADHO C1CCN(C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC001255887262 806783779 /nfs/dbraw/zinc/78/37/79/806783779.db2.gz RUZQNPRPZSDFPS-UHFFFAOYSA-N 1 3 250.430 3.269 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC001255945074 806791057 /nfs/dbraw/zinc/79/10/57/806791057.db2.gz DKBZZLSYRRSATI-OLZOCXBDSA-N 1 3 262.388 3.274 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)Cc1ccncc1 ZINC001255952122 806795087 /nfs/dbraw/zinc/79/50/87/806795087.db2.gz CTVMFBIOITZYNU-HNNXBMFYSA-N 1 3 277.456 3.113 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709790868 800018066 /nfs/dbraw/zinc/01/80/66/800018066.db2.gz QSFHKFULHVBDFJ-HZPDHXFCSA-N 1 3 252.446 3.278 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709790868 800018074 /nfs/dbraw/zinc/01/80/74/800018074.db2.gz QSFHKFULHVBDFJ-HZPDHXFCSA-N 1 3 252.446 3.278 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N(C)CCCCCC[NH3+] ZINC000710828184 800040867 /nfs/dbraw/zinc/04/08/67/800040867.db2.gz HAFWQMQHFXMPHG-LBPRGKRZSA-N 1 3 270.367 3.477 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001255954893 806798874 /nfs/dbraw/zinc/79/88/74/806798874.db2.gz KJLHKTAAGVCIBI-KDOFPFPSSA-N 1 3 292.442 3.393 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+](C)CCc1cccs1 ZINC001255964216 806801238 /nfs/dbraw/zinc/80/12/38/806801238.db2.gz PYAXSROVSQTXCL-CQSZACIVSA-N 1 3 268.470 3.343 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC001255964216 806801245 /nfs/dbraw/zinc/80/12/45/806801245.db2.gz PYAXSROVSQTXCL-CQSZACIVSA-N 1 3 268.470 3.343 20 0 CGADHO C[C@@H]1CCCN(Cc2scnc2Cl)[C@@H]1CCC[NH3+] ZINC000713501440 800111915 /nfs/dbraw/zinc/11/19/15/800111915.db2.gz RRGZGTLMIXQQLY-GHMZBOCLSA-N 1 3 287.860 3.136 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716265778 800165982 /nfs/dbraw/zinc/16/59/82/800165982.db2.gz BRNZRNUFOOZCOC-RISCZKNCSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@H](N)c1ccn([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256525876 806910068 /nfs/dbraw/zinc/91/00/68/806910068.db2.gz GHFDYMRZBVHACA-ZOBUZTSGSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1ccn([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256525876 806910073 /nfs/dbraw/zinc/91/00/73/806910073.db2.gz GHFDYMRZBVHACA-ZOBUZTSGSA-N 1 3 298.434 3.128 20 0 CGADHO CCCc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164213599 806917280 /nfs/dbraw/zinc/91/72/80/806917280.db2.gz XZYAFUFVEALOKO-UHFFFAOYSA-N 1 3 289.467 3.077 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001256573748 806919295 /nfs/dbraw/zinc/91/92/95/806919295.db2.gz MYJSIEMMNNQXDQ-LBPRGKRZSA-N 1 3 274.399 3.226 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001256573748 806919299 /nfs/dbraw/zinc/91/92/99/806919299.db2.gz MYJSIEMMNNQXDQ-LBPRGKRZSA-N 1 3 274.399 3.226 20 0 CGADHO CCC[N@H+]1C[C@H]2CN(Cc3c(C)cccc3C)C[C@H]2C1 ZINC001137852798 803783548 /nfs/dbraw/zinc/78/35/48/803783548.db2.gz VGGRYBHPZYZXAU-CALCHBBNSA-N 1 3 272.436 3.077 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN(Cc3c(C)cccc3C)C[C@H]2C1 ZINC001137852798 803783550 /nfs/dbraw/zinc/78/35/50/803783550.db2.gz VGGRYBHPZYZXAU-CALCHBBNSA-N 1 3 272.436 3.077 20 0 CGADHO c1ccc(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246072009 804110022 /nfs/dbraw/zinc/11/00/22/804110022.db2.gz NWGWLWXPAFLIGV-OALUTQOASA-N 1 3 280.415 3.140 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246074805 804113854 /nfs/dbraw/zinc/11/38/54/804113854.db2.gz QQVDCHDFKQLBHQ-JKSUJKDBSA-N 1 3 278.415 3.269 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccccc2C)CC[NH2+]1 ZINC001246075086 804114447 /nfs/dbraw/zinc/11/44/47/804114447.db2.gz HJLIZZSPBINJIP-ROUUACIJSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CCc2ccccc2C)CCN1 ZINC001246075086 804114454 /nfs/dbraw/zinc/11/44/54/804114454.db2.gz HJLIZZSPBINJIP-ROUUACIJSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246075463 804114822 /nfs/dbraw/zinc/11/48/22/804114822.db2.gz UCZULXHOLMSPSK-SJORKVTESA-N 1 3 278.415 3.269 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)NCC1([NH3+])CCCC1 ZINC001246077755 804116381 /nfs/dbraw/zinc/11/63/81/804116381.db2.gz ZCJBADOPXBDLED-LBPRGKRZSA-N 1 3 266.816 3.132 20 0 CGADHO c1ccc(CCN[C@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246092397 804123728 /nfs/dbraw/zinc/12/37/28/804123728.db2.gz BPKWKYLHUQYMNE-KRWDZBQOSA-N 1 3 272.436 3.274 20 0 CGADHO C[C@H]1CC[C@H](CNC2CCC3(CCCC3)CC2)[NH2+]C1 ZINC001246105434 804138901 /nfs/dbraw/zinc/13/89/01/804138901.db2.gz MNLDFCHYLCJKFD-GOEBONIOSA-N 1 3 264.457 3.467 20 0 CGADHO CCCCC[C@H](CC)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246113197 804144371 /nfs/dbraw/zinc/14/43/71/804144371.db2.gz NJKCWYQZNBYBIT-LSDHHAIUSA-N 1 3 258.425 3.417 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccc(C)s2)CC[NH2+]1 ZINC001246166578 804181223 /nfs/dbraw/zinc/18/12/23/804181223.db2.gz BDVTXMJZWNPNKC-HUUCEWRRSA-N 1 3 280.481 3.499 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167093 804182676 /nfs/dbraw/zinc/18/26/76/804182676.db2.gz CLJVUHCKSADBCU-KURKYZTESA-N 1 3 272.436 3.445 20 0 CGADHO CC1(C)C[C@@H](NCCSCc2ccc(F)cc2)CC[NH2+]1 ZINC001246175529 804189697 /nfs/dbraw/zinc/18/96/97/804189697.db2.gz SZSOPAKQOGJLGA-HNNXBMFYSA-N 1 3 296.455 3.179 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCSCc2ccc(F)cc2)CCN1 ZINC001246175529 804189702 /nfs/dbraw/zinc/18/97/02/804189702.db2.gz SZSOPAKQOGJLGA-HNNXBMFYSA-N 1 3 296.455 3.179 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246180906 804193990 /nfs/dbraw/zinc/19/39/90/804193990.db2.gz SNGLTPKHZJEAKL-WFASDCNBSA-N 1 3 280.843 3.391 20 0 CGADHO Clc1ccc(C2CCC(NC[C@@H]3CC[NH2+]3)CC2)cc1 ZINC001246193285 804201750 /nfs/dbraw/zinc/20/17/50/804201750.db2.gz LXAPTFJMZSGFMO-BCLQGDPASA-N 1 3 278.827 3.318 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246223640 804217764 /nfs/dbraw/zinc/21/77/64/804217764.db2.gz SKCXMHXTYHIBLB-KFWWJZLASA-N 1 3 258.425 3.129 20 0 CGADHO CCCCC(CCCC)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246224616 804218480 /nfs/dbraw/zinc/21/84/80/804218480.db2.gz XVAKCQWGQLKYSO-ZFWWWQNUSA-N 1 3 258.425 3.273 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246232759 804224846 /nfs/dbraw/zinc/22/48/46/804224846.db2.gz ZFAHJTROFVPSIQ-KURKYZTESA-N 1 3 296.499 3.218 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCCC2)CCN1 ZINC001246232759 804224854 /nfs/dbraw/zinc/22/48/54/804224854.db2.gz ZFAHJTROFVPSIQ-KURKYZTESA-N 1 3 296.499 3.218 20 0 CGADHO CCCCOCCC[NH2+][C@H]1CCN[C@H](CCCC)C1 ZINC001246236003 804228527 /nfs/dbraw/zinc/22/85/27/804228527.db2.gz UJTKAWKJBAIYJC-CVEARBPZSA-N 1 3 270.461 3.094 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246240274 804232282 /nfs/dbraw/zinc/23/22/82/804232282.db2.gz QPHKUGAGMINBEY-LVQVYYBASA-N 1 3 252.446 3.464 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CCCC2)CCN1 ZINC001246242418 804233939 /nfs/dbraw/zinc/23/39/39/804233939.db2.gz IDIVIWKFAMDIPA-IMJJTQAJSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C[C@@H](C)N1 ZINC001246252384 804237476 /nfs/dbraw/zinc/23/74/76/804237476.db2.gz VUWDUHLMJAAJLC-RGCMKSIDSA-N 1 3 252.446 3.320 20 0 CGADHO c1ccc(-c2ccc(OCC[NH2+][C@@H]3CCCNC3)cc2)cc1 ZINC001246252404 804237982 /nfs/dbraw/zinc/23/79/82/804237982.db2.gz RKIDIHIJHWIWPN-GOSISDBHSA-N 1 3 296.414 3.074 20 0 CGADHO Cc1ccc(SC[C@@H](C)[NH2+]CC(C)(C)CN)cc1 ZINC001246250575 804238138 /nfs/dbraw/zinc/23/81/38/804238138.db2.gz QITYLPDVCQQRMX-CYBMUJFWSA-N 1 3 266.454 3.050 20 0 CGADHO Cc1ccc(SC[C@@H](C)NCC(C)(C)C[NH3+])cc1 ZINC001246250575 804238146 /nfs/dbraw/zinc/23/81/46/804238146.db2.gz QITYLPDVCQQRMX-CYBMUJFWSA-N 1 3 266.454 3.050 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CCN1 ZINC001246251655 804238357 /nfs/dbraw/zinc/23/83/57/804238357.db2.gz RVMBQRIYZVFGIW-GBJTYRQASA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)NCC[C@H]1CCC[NH2+]1 ZINC001246275243 804251511 /nfs/dbraw/zinc/25/15/11/804251511.db2.gz ZXSBJKVHSPUWHI-IUODEOHRSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CCN1 ZINC001246324325 804282971 /nfs/dbraw/zinc/28/29/71/804282971.db2.gz GWRKTALGQGZNLC-FLYCALMHSA-N 1 3 284.447 3.299 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246331861 804288250 /nfs/dbraw/zinc/28/82/50/804288250.db2.gz KBMBYKOARJXUQT-YJNKXOJESA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246333499 804288433 /nfs/dbraw/zinc/28/84/33/804288433.db2.gz VGANSJSPKUHJGM-LAVFITLUSA-N 1 3 272.436 3.443 20 0 CGADHO C[Si](C)(C)C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)[Si](C)(C)C ZINC001246340426 804292385 /nfs/dbraw/zinc/29/23/85/804292385.db2.gz USANOVPWOZZSSN-BTTYYORXSA-N 1 3 298.623 3.373 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCCCc2ccccc2)CCN1 ZINC001246338651 804292725 /nfs/dbraw/zinc/29/27/25/804292725.db2.gz CDLSLKNRCICERE-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@@H]2CC[NH2+][C@@H](C)C2)c1F ZINC001246342283 804294500 /nfs/dbraw/zinc/29/45/00/804294500.db2.gz HBRWPRAKFDYXOZ-NWDGAFQWSA-N 1 3 284.806 3.060 20 0 CGADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C(C)(C)CCN ZINC001246366011 804306274 /nfs/dbraw/zinc/30/62/74/804306274.db2.gz WEHWKCIMQXWYJF-NSHDSACASA-N 1 3 299.256 3.097 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246376165 804311176 /nfs/dbraw/zinc/31/11/76/804311176.db2.gz MOGBTCIZVSTDFD-OALUTQOASA-N 1 3 286.463 3.302 20 0 CGADHO COCCC1([NH2+]C2CCC3(CCCC3)CC2)CCNCC1 ZINC001246395094 804320271 /nfs/dbraw/zinc/32/02/71/804320271.db2.gz WBROBTGIXNQWSC-UHFFFAOYSA-N 1 3 294.483 3.238 20 0 CGADHO FC1(F)CCC(CC2CC2)([NH2+]C2CCNCC2)CC1 ZINC001246408461 804324626 /nfs/dbraw/zinc/32/46/26/804324626.db2.gz UKTKEUBSQTTYPM-UHFFFAOYSA-N 1 3 272.383 3.076 20 0 CGADHO CCC1([NH2+][C@@H](C)CSc2ccc(F)cc2)CCNCC1 ZINC001246423361 804327098 /nfs/dbraw/zinc/32/70/98/804327098.db2.gz IQUWMPNMZMDCAU-ZDUSSCGKSA-N 1 3 296.455 3.428 20 0 CGADHO CCC1(N[C@@H](C)CSc2ccc(F)cc2)CC[NH2+]CC1 ZINC001246423361 804327108 /nfs/dbraw/zinc/32/71/08/804327108.db2.gz IQUWMPNMZMDCAU-ZDUSSCGKSA-N 1 3 296.455 3.428 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246431053 804329529 /nfs/dbraw/zinc/32/95/29/804329529.db2.gz IWIAYZZVBUAOTH-DZGCQCFKSA-N 1 3 278.415 3.125 20 0 CGADHO CC[C@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246434585 804332505 /nfs/dbraw/zinc/33/25/05/804332505.db2.gz NKBUEEHLFOOPCR-HOTGVXAUSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC12CNC2 ZINC001246453950 804335364 /nfs/dbraw/zinc/33/53/64/804335364.db2.gz YKFPKQFRGPFKNS-YGRLFVJLSA-N 1 3 299.245 3.266 20 0 CGADHO CCCCCC1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246447925 804335864 /nfs/dbraw/zinc/33/58/64/804335864.db2.gz XSAKCNYCGOQWSJ-NRXISQOPSA-N 1 3 250.430 3.077 20 0 CGADHO CCCCCC1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246447925 804335870 /nfs/dbraw/zinc/33/58/70/804335870.db2.gz XSAKCNYCGOQWSJ-NRXISQOPSA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@@H](CC)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246446563 804336336 /nfs/dbraw/zinc/33/63/36/804336336.db2.gz MBMFZPABIHFWAQ-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([NH2+]C3(Cc4ccccc4)CCNCC3)C[C@@H]21 ZINC001246455183 804337225 /nfs/dbraw/zinc/33/72/25/804337225.db2.gz HJYCJXJPWPVDHC-NNZMDNLPSA-N 1 3 298.474 3.376 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCNCC2)C1 ZINC001246460054 804340223 /nfs/dbraw/zinc/34/02/23/804340223.db2.gz MBJMYCDQWQXBGO-DOTOQJQBSA-N 1 3 272.436 3.130 20 0 CGADHO CC[C@@H](CC(C)C)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461619 804341766 /nfs/dbraw/zinc/34/17/66/804341766.db2.gz NRIIEFSJQAXBIK-JKSUJKDBSA-N 1 3 252.446 3.323 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)[C@H]2C[NH2+]C[C@@H]12 ZINC001246476566 804351807 /nfs/dbraw/zinc/35/18/07/804351807.db2.gz XSONGMKUBULGFU-JKEDJMADSA-N 1 3 282.431 3.076 20 0 CGADHO CCCC(C[NH3+])(CCC)N[C@H](C)CC(F)(F)F ZINC001246498635 804362863 /nfs/dbraw/zinc/36/28/63/804362863.db2.gz WGOUAFOFCJEVDV-SNVBAGLBSA-N 1 3 254.340 3.215 20 0 CGADHO [NH3+]C[C@@H](NC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC001246508271 804367482 /nfs/dbraw/zinc/36/74/82/804367482.db2.gz TYUSGUYZFZBXGD-JXQTWKCFSA-N 1 3 286.341 3.397 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H](CC)C1CNC1 ZINC001246514425 804369425 /nfs/dbraw/zinc/36/94/25/804369425.db2.gz HOCHNWSNDZKVBJ-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO CCCC1CCC([NH2+][C@@H](C2CCC2)C2CNC2)CC1 ZINC001246518902 804371164 /nfs/dbraw/zinc/37/11/64/804371164.db2.gz QIXRQJLHTQSOGM-IMRCBTMISA-N 1 3 264.457 3.323 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246521126 804376035 /nfs/dbraw/zinc/37/60/35/804376035.db2.gz ZFWSCUMVPXLCMQ-CVEARBPZSA-N 1 3 252.446 3.179 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]3C2)CCN1 ZINC001246526137 804378369 /nfs/dbraw/zinc/37/83/69/804378369.db2.gz MHCDJAXJQGHOFL-CAOSSQGBSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N1CCC([NH3+])CC1 ZINC001246526427 804381366 /nfs/dbraw/zinc/38/13/66/804381366.db2.gz WXZIOJQGSYCKKR-KRWDZBQOSA-N 1 3 260.425 3.211 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH+]1CCC(N)CC1 ZINC001246526427 804381375 /nfs/dbraw/zinc/38/13/75/804381375.db2.gz WXZIOJQGSYCKKR-KRWDZBQOSA-N 1 3 260.425 3.211 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CC[C@@](C)([NH3+])C1 ZINC001246535934 804386022 /nfs/dbraw/zinc/38/60/22/804386022.db2.gz QUHBTODDCXOTPJ-DLBZAZTESA-N 1 3 260.425 3.211 20 0 CGADHO C[C@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540645 804390349 /nfs/dbraw/zinc/39/03/49/804390349.db2.gz BWTKKHRQJAKGRH-GOEBONIOSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1C[N@@H+]([C@@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540645 804390359 /nfs/dbraw/zinc/39/03/59/804390359.db2.gz BWTKKHRQJAKGRH-GOEBONIOSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1C[N@H+]([C@@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540645 804390366 /nfs/dbraw/zinc/39/03/66/804390366.db2.gz BWTKKHRQJAKGRH-GOEBONIOSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@@H]([NH3+])CC1 ZINC001246546465 804395015 /nfs/dbraw/zinc/39/50/15/804395015.db2.gz MZPSXEOILMFJID-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO [NH3+]C[C@H]1CN([C@@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557088 804405932 /nfs/dbraw/zinc/40/59/32/804405932.db2.gz LAIKUALGHPVFTK-OWCLPIDISA-N 1 3 294.389 3.239 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC(F)(F)[C@H](CN)C2)CC(C)(C)C1 ZINC001246556625 804406043 /nfs/dbraw/zinc/40/60/43/804406043.db2.gz JWSYRBBDNNDTRQ-UPJWGTAASA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC(F)(F)[C@H](CN)C2)CC(C)(C)C1 ZINC001246556625 804406045 /nfs/dbraw/zinc/40/60/45/804406045.db2.gz JWSYRBBDNNDTRQ-UPJWGTAASA-N 1 3 274.399 3.117 20 0 CGADHO NC[C@H]1C[N@@H+](C2CCCCCCC2)CCC1(F)F ZINC001246560497 804409827 /nfs/dbraw/zinc/40/98/27/804409827.db2.gz UZYZHSLCUVEASI-LBPRGKRZSA-N 1 3 260.372 3.015 20 0 CGADHO NC[C@H]1C[N@H+](C2CCCCCCC2)CCC1(F)F ZINC001246560497 804409830 /nfs/dbraw/zinc/40/98/30/804409830.db2.gz UZYZHSLCUVEASI-LBPRGKRZSA-N 1 3 260.372 3.015 20 0 CGADHO [NH3+]C[C@H]1CN(C2CCCCCCC2)CCC1(F)F ZINC001246560497 804409833 /nfs/dbraw/zinc/40/98/33/804409833.db2.gz UZYZHSLCUVEASI-LBPRGKRZSA-N 1 3 260.372 3.015 20 0 CGADHO C[C@@H]1CN(C2CCC3(CCCCC3)CC2)C[C@H]1[NH3+] ZINC001246566110 804414228 /nfs/dbraw/zinc/41/42/28/804414228.db2.gz FKTKYBTXLWQZHG-UKRRQHHQSA-N 1 3 250.430 3.159 20 0 CGADHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582466 804426645 /nfs/dbraw/zinc/42/66/45/804426645.db2.gz MSXCZLUBGCLWKD-SUMWQHHRSA-N 1 3 292.854 3.258 20 0 CGADHO NC[C@@H]1CCCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582466 804426656 /nfs/dbraw/zinc/42/66/56/804426656.db2.gz MSXCZLUBGCLWKD-SUMWQHHRSA-N 1 3 292.854 3.258 20 0 CGADHO CC1(C[NH3+])CN(C2CCC(Cc3ccccc3)CC2)C1 ZINC001246591049 804433055 /nfs/dbraw/zinc/43/30/55/804433055.db2.gz VHIVTBVZMNBPEV-UHFFFAOYSA-N 1 3 272.436 3.069 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001246610422 804445290 /nfs/dbraw/zinc/44/52/90/804445290.db2.gz QXVSTOBRSSWGIS-HKUYNNGSSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001246610422 804445293 /nfs/dbraw/zinc/44/52/93/804445293.db2.gz QXVSTOBRSSWGIS-HKUYNNGSSA-N 1 3 286.463 3.392 20 0 CGADHO CC1(C)CC[C@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246616431 804450717 /nfs/dbraw/zinc/45/07/17/804450717.db2.gz WHKKOKMWGZMOLG-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246619094 804453343 /nfs/dbraw/zinc/45/33/43/804453343.db2.gz HJOUOIPAUWQQDL-JCYILVPMSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@]3(C2)CCCCN3)CC1 ZINC001246619094 804453350 /nfs/dbraw/zinc/45/33/50/804453350.db2.gz HJOUOIPAUWQQDL-JCYILVPMSA-N 1 3 264.457 3.419 20 0 CGADHO CCCCCC1CCC(N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001246621057 804453584 /nfs/dbraw/zinc/45/35/84/804453584.db2.gz CNJZSMAYDQBRKK-GPQLOAJWSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246623362 804456028 /nfs/dbraw/zinc/45/60/28/804456028.db2.gz QCMRGVCNHWWZSG-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CC[C@@H]([N@@H+]2CCCC23CCNCC3)C[C@@H]1C ZINC001246646204 804474028 /nfs/dbraw/zinc/47/40/28/804474028.db2.gz PACPLOQRUHFBIT-QLFBSQMISA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@@H]([N@H+]2CCCC23CCNCC3)C[C@@H]1C ZINC001246646204 804474030 /nfs/dbraw/zinc/47/40/30/804474030.db2.gz PACPLOQRUHFBIT-QLFBSQMISA-N 1 3 250.430 3.029 20 0 CGADHO C1C[C@H]2CN(C3CCC4(CCCCC4)CC3)C[C@H]2[NH2+]1 ZINC001246647698 804475376 /nfs/dbraw/zinc/47/53/76/804475376.db2.gz MNUADNLYYWQMLM-GOEBONIOSA-N 1 3 262.441 3.173 20 0 CGADHO c1ccc(C2CCC(N3C[C@@H]4CC[NH2+][C@@H]4C3)CC2)cc1 ZINC001246655749 804480161 /nfs/dbraw/zinc/48/01/61/804480161.db2.gz ZUCXLDRXAPRGMQ-JYSRZZCRSA-N 1 3 270.420 3.007 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246656642 804482058 /nfs/dbraw/zinc/48/20/58/804482058.db2.gz KOSLTCLIQVUQFZ-NYMYIZQJSA-N 1 3 299.245 3.203 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2ccncc21 ZINC001140645067 804483204 /nfs/dbraw/zinc/48/32/04/804483204.db2.gz IYXZGVFWFALZQH-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2ccncc21 ZINC001140645067 804483205 /nfs/dbraw/zinc/48/32/05/804483205.db2.gz IYXZGVFWFALZQH-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246661219 804483869 /nfs/dbraw/zinc/48/38/69/804483869.db2.gz KOSLTCLIQVUQFZ-ADGXKJENSA-N 1 3 299.245 3.203 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N3CC[C@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246658785 804484043 /nfs/dbraw/zinc/48/40/43/804484043.db2.gz AOZUEHCJBNRLAL-MLHJIOFPSA-N 1 3 270.420 3.149 20 0 CGADHO C[C@H](CC1CC1)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246669966 804488608 /nfs/dbraw/zinc/48/86/08/804488608.db2.gz AVZWARCFXINJRD-LSTHTHJFSA-N 1 3 298.474 3.428 20 0 CGADHO C[C@H](CC1CC1)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246669966 804488611 /nfs/dbraw/zinc/48/86/11/804488611.db2.gz AVZWARCFXINJRD-LSTHTHJFSA-N 1 3 298.474 3.428 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246699176 804499637 /nfs/dbraw/zinc/49/96/37/804499637.db2.gz ZJXYWSPROOMCSX-SQNIBIBYSA-N 1 3 290.426 3.031 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246699176 804499641 /nfs/dbraw/zinc/49/96/41/804499641.db2.gz ZJXYWSPROOMCSX-SQNIBIBYSA-N 1 3 290.426 3.031 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CCN1 ZINC001246759503 804501612 /nfs/dbraw/zinc/50/16/12/804501612.db2.gz MGPPJFCBAIXPPR-ZBRFXRBCSA-N 1 3 294.483 3.044 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CCN1 ZINC001246759503 804501619 /nfs/dbraw/zinc/50/16/19/804501619.db2.gz MGPPJFCBAIXPPR-ZBRFXRBCSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246773593 804504426 /nfs/dbraw/zinc/50/44/26/804504426.db2.gz BEBBTTANSKWWJR-UKBAYJJMSA-N 1 3 286.463 3.470 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246773593 804504430 /nfs/dbraw/zinc/50/44/30/804504430.db2.gz BEBBTTANSKWWJR-UKBAYJJMSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246791501 804514812 /nfs/dbraw/zinc/51/48/12/804514812.db2.gz KDLNHUDEINGWEK-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246791501 804514814 /nfs/dbraw/zinc/51/48/14/804514814.db2.gz KDLNHUDEINGWEK-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246791501 804514820 /nfs/dbraw/zinc/51/48/20/804514820.db2.gz KDLNHUDEINGWEK-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N1CCC([NH2+]C)CC1 ZINC001246805926 804525642 /nfs/dbraw/zinc/52/56/42/804525642.db2.gz LMBORLGXYPDXGJ-KRWDZBQOSA-N 1 3 260.425 3.082 20 0 CGADHO C[N@H+](CCc1ccccc1Cl)[C@@H]1CCNC2(CCC2)C1 ZINC001246819261 804533925 /nfs/dbraw/zinc/53/39/25/804533925.db2.gz CKQICVBEWCODMG-OAHLLOKOSA-N 1 3 292.854 3.489 20 0 CGADHO C[N@@H+](CCc1ccccc1Cl)[C@@H]1CCNC2(CCC2)C1 ZINC001246819261 804533931 /nfs/dbraw/zinc/53/39/31/804533931.db2.gz CKQICVBEWCODMG-OAHLLOKOSA-N 1 3 292.854 3.489 20 0 CGADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841252 804549791 /nfs/dbraw/zinc/54/97/91/804549791.db2.gz NLQZIFOKFRMGLD-UKRRQHHQSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841252 804549794 /nfs/dbraw/zinc/54/97/94/804549794.db2.gz NLQZIFOKFRMGLD-UKRRQHHQSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246841252 804549796 /nfs/dbraw/zinc/54/97/96/804549796.db2.gz NLQZIFOKFRMGLD-UKRRQHHQSA-N 1 3 292.854 3.129 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC001246841205 804550839 /nfs/dbraw/zinc/55/08/39/804550839.db2.gz MZXIULVGMNISPO-MSOLQXFVSA-N 1 3 274.452 3.329 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC001246841205 804550842 /nfs/dbraw/zinc/55/08/42/804550842.db2.gz MZXIULVGMNISPO-MSOLQXFVSA-N 1 3 274.452 3.329 20 0 CGADHO C[N@H+](C[C@H]1CCCNC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844263 804551541 /nfs/dbraw/zinc/55/15/41/804551541.db2.gz YDWLGCRQXGLJLQ-CGTJXYLNSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844263 804551547 /nfs/dbraw/zinc/55/15/47/804551547.db2.gz YDWLGCRQXGLJLQ-CGTJXYLNSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC[C@H]1CC[NH3+] ZINC001246844228 804552829 /nfs/dbraw/zinc/55/28/29/804552829.db2.gz HSWFOPFXELUGHQ-OCCSQVGLSA-N 1 3 266.816 3.084 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CC)C2)CCN1 ZINC001246844889 804553378 /nfs/dbraw/zinc/55/33/78/804553378.db2.gz DEENXWXYVVLXQA-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CC)C2)CCN1 ZINC001246844889 804553384 /nfs/dbraw/zinc/55/33/84/804553384.db2.gz DEENXWXYVVLXQA-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861332 804564995 /nfs/dbraw/zinc/56/49/95/804564995.db2.gz AVQCRVNMAGUEID-MUQADHOPSA-N 1 3 270.420 3.279 20 0 CGADHO CN(Cc1ccc(F)cc1F)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246867803 804570306 /nfs/dbraw/zinc/57/03/06/804570306.db2.gz JRXGZYYSBBJPQM-HNNXBMFYSA-N 1 3 294.389 3.319 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246891590 804583482 /nfs/dbraw/zinc/58/34/82/804583482.db2.gz CFLHLJIRAOEZKC-YHUYYLMFSA-N 1 3 264.457 3.275 20 0 CGADHO Nc1ccc(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC2)cc1 ZINC001246930005 804605244 /nfs/dbraw/zinc/60/52/44/804605244.db2.gz JMIACIDXVHZJFM-REPLKXPHSA-N 1 3 299.462 3.121 20 0 CGADHO CCSC[C@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246940341 804609933 /nfs/dbraw/zinc/60/99/33/804609933.db2.gz WIYOHRXXFFDCSA-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CCSC[C@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246940341 804609936 /nfs/dbraw/zinc/60/99/36/804609936.db2.gz WIYOHRXXFFDCSA-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CC(C)[N@H+]([C@@H]1CCNC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969260 804621207 /nfs/dbraw/zinc/62/12/07/804621207.db2.gz ULJYZQSPHRKYQQ-KFWWJZLASA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+]([C@@H]1CCNC1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969260 804621208 /nfs/dbraw/zinc/62/12/08/804621208.db2.gz ULJYZQSPHRKYQQ-KFWWJZLASA-N 1 3 252.446 3.274 20 0 CGADHO Fc1cccc2c1CN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256861902 806993999 /nfs/dbraw/zinc/99/39/99/806993999.db2.gz ZAGYKQSFLOUPBE-UHFFFAOYSA-N 1 3 297.377 3.205 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccc3c(ccn3C)c2)CC1 ZINC001258001653 807263108 /nfs/dbraw/zinc/26/31/08/807263108.db2.gz ZFGSKQBTJVZHLY-UHFFFAOYSA-N 1 3 299.462 3.388 20 0 CGADHO CC(C)C[NH+]1CCC(N2CC[C@H](C)C(F)(F)CC2)CC1 ZINC001258012082 807267581 /nfs/dbraw/zinc/26/75/81/807267581.db2.gz RZKJDJNOVHXRIF-AWEZNQCLSA-N 1 3 288.426 3.474 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1(C)C ZINC001167908125 807271398 /nfs/dbraw/zinc/27/13/98/807271398.db2.gz BGAOEXIOCVXPGN-CLLJXQQHSA-N 1 3 250.430 3.026 20 0 CGADHO CC1CC([N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167984379 807290473 /nfs/dbraw/zinc/29/04/73/807290473.db2.gz OBKLCGZRPCKHDW-JDIXEAOESA-N 1 3 262.441 3.122 20 0 CGADHO CC1CC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167984379 807290479 /nfs/dbraw/zinc/29/04/79/807290479.db2.gz OBKLCGZRPCKHDW-JDIXEAOESA-N 1 3 262.441 3.122 20 0 CGADHO C[C@H]1C[C@H]([N@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142420 807321769 /nfs/dbraw/zinc/32/17/69/807321769.db2.gz CRAPJCDNYRVAGM-MAUKXSAKSA-N 1 3 294.483 3.283 20 0 CGADHO C[C@H]1C[C@H]([N@@H+](C)C2CCN(C3CCCCC3)CC2)CCO1 ZINC001168142420 807321777 /nfs/dbraw/zinc/32/17/77/807321777.db2.gz CRAPJCDNYRVAGM-MAUKXSAKSA-N 1 3 294.483 3.283 20 0 CGADHO CSCC[C@@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001258209399 807366042 /nfs/dbraw/zinc/36/60/42/807366042.db2.gz OZYBQPBNPWNLCZ-CYBMUJFWSA-N 1 3 270.486 3.112 20 0 CGADHO CCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccncc1 ZINC001168362972 807394090 /nfs/dbraw/zinc/39/40/90/807394090.db2.gz NXZOJGQYAFJRGY-GOSISDBHSA-N 1 3 287.451 3.387 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001258333317 807414303 /nfs/dbraw/zinc/41/43/03/807414303.db2.gz LZPHYIKWNFMREY-BFHYXJOUSA-N 1 3 272.502 3.369 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258439714 807452147 /nfs/dbraw/zinc/45/21/47/807452147.db2.gz LWNFCWKQOGDPRU-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258439714 807452149 /nfs/dbraw/zinc/45/21/49/807452149.db2.gz LWNFCWKQOGDPRU-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO CC[NH+](CC)C1CCN([C@@H]2CCC(C)(C)C2)CC1 ZINC001258604300 807502380 /nfs/dbraw/zinc/50/23/80/807502380.db2.gz ANHVDYGTGSEEAG-OAHLLOKOSA-N 1 3 252.446 3.371 20 0 CGADHO C[N@H+](C1CCOCC1)C1CCN([C@@H]2CCC(C)(C)C2)CC1 ZINC001258606896 807503264 /nfs/dbraw/zinc/50/32/64/807503264.db2.gz DRLLWQILKCPETK-QGZVFWFLSA-N 1 3 294.483 3.140 20 0 CGADHO C[N@@H+](C1CCOCC1)C1CCN([C@@H]2CCC(C)(C)C2)CC1 ZINC001258606896 807503267 /nfs/dbraw/zinc/50/32/67/807503267.db2.gz DRLLWQILKCPETK-QGZVFWFLSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H](Cc1cccnc1)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258612647 807508522 /nfs/dbraw/zinc/50/85/22/807508522.db2.gz CYJQWMFWTGFGDV-LPHOPBHVSA-N 1 3 297.446 3.295 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CC(C)(C)C1 ZINC001258702859 807557091 /nfs/dbraw/zinc/55/70/91/807557091.db2.gz DIPFJMQJHXBPSG-CABCVRRESA-N 1 3 264.457 3.229 20 0 CGADHO CCCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169099467 807575178 /nfs/dbraw/zinc/57/51/78/807575178.db2.gz SMVPBQPYSUUXAB-OSYLJGHBSA-N 1 3 288.435 3.190 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCCN1C ZINC001258740166 807584560 /nfs/dbraw/zinc/58/45/60/807584560.db2.gz MUCCYTIXDXGOHE-CJNGLKHVSA-N 1 3 280.843 3.345 20 0 CGADHO C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125406 807585725 /nfs/dbraw/zinc/58/57/25/807585725.db2.gz HSYWMASORLTTRP-SIXLDLHFSA-N 1 3 270.420 3.231 20 0 CGADHO C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125406 807585730 /nfs/dbraw/zinc/58/57/30/807585730.db2.gz HSYWMASORLTTRP-SIXLDLHFSA-N 1 3 270.420 3.231 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[NH+]1CCN(c2ccncc2)CC1 ZINC001258789031 807614442 /nfs/dbraw/zinc/61/44/42/807614442.db2.gz UYNVNMVXDCDKRI-CVEARBPZSA-N 1 3 275.440 3.418 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC001261566365 807757959 /nfs/dbraw/zinc/75/79/59/807757959.db2.gz CFTPFODHTFJJLI-GJZGRUSLSA-N 1 3 288.439 3.194 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC001170113881 807762871 /nfs/dbraw/zinc/76/28/71/807762871.db2.gz XFTDMELBDZAXKY-HIFRSBDPSA-N 1 3 250.430 3.172 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001170198632 807793377 /nfs/dbraw/zinc/79/33/77/807793377.db2.gz ZLDRQUMKBQSQNZ-WBVHZDCISA-N 1 3 282.472 3.187 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](Nc2ccc(F)c(CN3CCCC3)c2)C1 ZINC001170623402 807867152 /nfs/dbraw/zinc/86/71/52/807867152.db2.gz XANOGUIWCXOROX-LSDHHAIUSA-N 1 3 291.414 3.103 20 0 CGADHO CC[NH+](CC)CCCN[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170656135 807868903 /nfs/dbraw/zinc/86/89/03/807868903.db2.gz UTMCZIRRKVHSEV-OAHLLOKOSA-N 1 3 296.405 3.144 20 0 CGADHO CN(CCC[NH+](C)C)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170913146 807931077 /nfs/dbraw/zinc/93/10/77/807931077.db2.gz DSTMUAILORWABL-CQSZACIVSA-N 1 3 280.843 3.081 20 0 CGADHO CN1C(C)(C)CC([NH2+]CC[C@H]2CCCCO2)CC1(C)C ZINC001171619017 808106849 /nfs/dbraw/zinc/10/68/49/808106849.db2.gz DTSRCOKAIIDLFS-OAHLLOKOSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cnc2ccccn21 ZINC001172101229 808171575 /nfs/dbraw/zinc/17/15/75/808171575.db2.gz XPAGHMLMXVJYPZ-LVQVYYBASA-N 1 3 298.434 3.000 20 0 CGADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnc2ccccn21 ZINC001172101229 808171580 /nfs/dbraw/zinc/17/15/80/808171580.db2.gz XPAGHMLMXVJYPZ-LVQVYYBASA-N 1 3 298.434 3.000 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccccc31)C2 ZINC001172103990 808175206 /nfs/dbraw/zinc/17/52/06/808175206.db2.gz YOKWKZRSLGRKKK-KYHPRHEASA-N 1 3 270.420 3.279 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccccc31)C2 ZINC001172103990 808175208 /nfs/dbraw/zinc/17/52/08/808175208.db2.gz YOKWKZRSLGRKKK-KYHPRHEASA-N 1 3 270.420 3.279 20 0 CGADHO Cc1cc(F)cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172107031 808176411 /nfs/dbraw/zinc/17/64/11/808176411.db2.gz SMUJREOPDCOYIP-BJWYYQGGSA-N 1 3 276.399 3.239 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172314838 808225729 /nfs/dbraw/zinc/22/57/29/808225729.db2.gz FFVMKTQUYVFGJT-JKSUJKDBSA-N 1 3 272.477 3.292 20 0 CGADHO CC[C@@H](C)OCC[C@@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172334742 808238082 /nfs/dbraw/zinc/23/80/82/808238082.db2.gz IICOEALCEMXVGZ-HUUCEWRRSA-N 1 3 282.472 3.174 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N3CCCC3)CC2)C[C@H]1C ZINC001172369276 808264878 /nfs/dbraw/zinc/26/48/78/808264878.db2.gz ZOFHRYSWNWKFJW-BFYDXBDKSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C[C@H]1C ZINC001172369276 808264880 /nfs/dbraw/zinc/26/48/80/808264880.db2.gz ZOFHRYSWNWKFJW-BFYDXBDKSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@@H]1C ZINC001172370268 808265540 /nfs/dbraw/zinc/26/55/40/808265540.db2.gz PTECZSVRNJEQBY-CWQOZTLDSA-N 1 3 294.483 3.044 20 0 CGADHO CCOCC[C@@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001172422440 808303739 /nfs/dbraw/zinc/30/37/39/808303739.db2.gz DYDVHIHWUKBWQH-SJORKVTESA-N 1 3 294.483 3.212 20 0 CGADHO CC(C)COCC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172462057 808332851 /nfs/dbraw/zinc/33/28/51/808332851.db2.gz LVWSIBGWVNZWTL-CQSZACIVSA-N 1 3 284.488 3.418 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H](C)CN ZINC001172570021 808394865 /nfs/dbraw/zinc/39/48/65/808394865.db2.gz CNKBDYURYGGMTE-VHSXEESVSA-N 1 3 290.785 3.124 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001172837404 808453845 /nfs/dbraw/zinc/45/38/45/808453845.db2.gz MQNDAYWVJHSERB-SDDRHHMPSA-N 1 3 284.806 3.270 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC001275890306 808973623 /nfs/dbraw/zinc/97/36/23/808973623.db2.gz AXTXPJJNKILTKZ-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC001275890306 808973627 /nfs/dbraw/zinc/97/36/27/808973627.db2.gz AXTXPJJNKILTKZ-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276031384 808985014 /nfs/dbraw/zinc/98/50/14/808985014.db2.gz IOLUBEUFXXSAIW-NUJGCVRESA-N 1 3 276.468 3.373 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276031384 808985016 /nfs/dbraw/zinc/98/50/16/808985016.db2.gz IOLUBEUFXXSAIW-NUJGCVRESA-N 1 3 276.468 3.373 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)s1 ZINC001276043163 808986659 /nfs/dbraw/zinc/98/66/59/808986659.db2.gz VZUQPBDHEUZNJU-MRXNPFEDSA-N 1 3 278.465 3.228 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)s1 ZINC001276043163 808986662 /nfs/dbraw/zinc/98/66/62/808986662.db2.gz VZUQPBDHEUZNJU-MRXNPFEDSA-N 1 3 278.465 3.228 20 0 CGADHO Cc1c[nH+]ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506027 809433646 /nfs/dbraw/zinc/43/36/46/809433646.db2.gz ZWYQMHRNWNHXAQ-UHFFFAOYSA-N 1 3 279.387 3.014 20 0 CGADHO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001179817667 809948421 /nfs/dbraw/zinc/94/84/21/809948421.db2.gz RFGXLVVEAQEMNM-RCCFBDPRSA-N 1 3 272.436 3.240 20 0 CGADHO CC(C)P(CCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001183561758 810152595 /nfs/dbraw/zinc/15/25/95/810152595.db2.gz MIPJCNMPAAQZJS-UHFFFAOYSA-N 1 3 298.411 3.030 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC001184135937 810178690 /nfs/dbraw/zinc/17/86/90/810178690.db2.gz XUYDCLKIRSHSFM-CJNGLKHVSA-N 1 3 292.854 3.375 20 0 CGADHO CCCC[NH+]1CCC(N(C)CCc2ccccc2)CC1 ZINC001201609618 811919197 /nfs/dbraw/zinc/91/91/97/811919197.db2.gz IRVNGKYHCQPRIH-UHFFFAOYSA-N 1 3 274.452 3.425 20 0 CGADHO CCc1cc(Br)ccc1C[N@H+](CCN)C(C)C ZINC001235947297 819235623 /nfs/dbraw/zinc/23/56/23/819235623.db2.gz IYLNUOUSLOPPPY-UHFFFAOYSA-N 1 3 299.256 3.181 20 0 CGADHO CCc1cc(Br)ccc1C[N@@H+](CCN)C(C)C ZINC001235947297 819235631 /nfs/dbraw/zinc/23/56/31/819235631.db2.gz IYLNUOUSLOPPPY-UHFFFAOYSA-N 1 3 299.256 3.181 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001204292536 812601081 /nfs/dbraw/zinc/60/10/81/812601081.db2.gz FRYBSMUOLNULTQ-GOSISDBHSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001204292536 812601084 /nfs/dbraw/zinc/60/10/84/812601084.db2.gz FRYBSMUOLNULTQ-GOSISDBHSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CCCNCC2)c(C)c1C ZINC001204675789 812705707 /nfs/dbraw/zinc/70/57/07/812705707.db2.gz XEGVCLCETZTWCT-UHFFFAOYSA-N 1 3 260.425 3.024 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CCCNCC2)c(C)c1C ZINC001204675789 812705709 /nfs/dbraw/zinc/70/57/09/812705709.db2.gz XEGVCLCETZTWCT-UHFFFAOYSA-N 1 3 260.425 3.024 20 0 CGADHO Cc1c(F)cc(CN2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204742203 812722435 /nfs/dbraw/zinc/72/24/35/812722435.db2.gz KGMLZZFSYIDNCT-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO [NH3+]CCCCN1CCC[C@H]1c1ccc(Br)cc1 ZINC001205002103 812819678 /nfs/dbraw/zinc/81/96/78/812819678.db2.gz ZXLRQMQWSHRLBU-AWEZNQCLSA-N 1 3 297.240 3.325 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205094713 812860603 /nfs/dbraw/zinc/86/06/03/812860603.db2.gz OKCSYHRPJGVIDI-INIZCTEOSA-N 1 3 260.425 3.297 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccccc2-c2cccnc2)CC1 ZINC001205110549 812871125 /nfs/dbraw/zinc/87/11/25/812871125.db2.gz VTBXGINIDZOJRU-QGZVFWFLSA-N 1 3 281.403 3.062 20 0 CGADHO Cc1cc(CN2CCC[C@](C)([NH3+])CC2)ccc1OC(C)C ZINC001205289371 812933205 /nfs/dbraw/zinc/93/32/05/812933205.db2.gz XCTADWPKYOAVIG-SFHVURJKSA-N 1 3 290.451 3.486 20 0 CGADHO CCCc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205305001 812944409 /nfs/dbraw/zinc/94/44/09/812944409.db2.gz QMCAMWNATFZKCB-PBHICJAKSA-N 1 3 260.425 3.056 20 0 CGADHO Cc1c(F)ccc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205628881 813033878 /nfs/dbraw/zinc/03/38/78/813033878.db2.gz XLUBLKSWCYZFHO-AAEUAGOBSA-N 1 3 282.378 3.080 20 0 CGADHO COc1cc(Cl)ccc1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205636119 813036534 /nfs/dbraw/zinc/03/65/34/813036534.db2.gz CGVZLUNDHXHKFZ-STQMWFEESA-N 1 3 296.842 3.155 20 0 CGADHO CC(C)=CCC[C@H](C)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205734635 813064579 /nfs/dbraw/zinc/06/45/79/813064579.db2.gz GBYZWJMFTQTQDC-KBPBESRZSA-N 1 3 274.399 3.285 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205916143 813132917 /nfs/dbraw/zinc/13/29/17/813132917.db2.gz SAGYNLYWYUYIKX-MAUKXSAKSA-N 1 3 274.452 3.444 20 0 CGADHO N[C@H]1CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923301 813136037 /nfs/dbraw/zinc/13/60/37/813136037.db2.gz MOQHPHDZKFGNSI-HNNXBMFYSA-N 1 3 266.816 3.086 20 0 CGADHO N[C@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923301 813136040 /nfs/dbraw/zinc/13/60/40/813136040.db2.gz MOQHPHDZKFGNSI-HNNXBMFYSA-N 1 3 266.816 3.086 20 0 CGADHO CC(C)c1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163751 813220518 /nfs/dbraw/zinc/22/05/18/813220518.db2.gz FGOCMOBQRQADNX-JKSUJKDBSA-N 1 3 264.388 3.071 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173525 813225987 /nfs/dbraw/zinc/22/59/87/813225987.db2.gz HVDLGRGSUMIYJT-DLBZAZTESA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173525 813225993 /nfs/dbraw/zinc/22/59/93/813225993.db2.gz HVDLGRGSUMIYJT-DLBZAZTESA-N 1 3 299.393 3.010 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206201099 813237933 /nfs/dbraw/zinc/23/79/33/813237933.db2.gz VPNPEWCQUSXYDW-CABCVRRESA-N 1 3 284.806 3.218 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206201099 813237936 /nfs/dbraw/zinc/23/79/36/813237936.db2.gz VPNPEWCQUSXYDW-CABCVRRESA-N 1 3 284.806 3.218 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC001206549437 813347965 /nfs/dbraw/zinc/34/79/65/813347965.db2.gz MYJXUMMKMSQWOR-GOSISDBHSA-N 1 3 298.434 3.028 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2cncc3ccccc32)C1 ZINC001206556064 813352240 /nfs/dbraw/zinc/35/22/40/813352240.db2.gz MVOCTHKXMQVVGX-GOSISDBHSA-N 1 3 283.419 3.186 20 0 CGADHO CCc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)s1 ZINC001206565992 813357250 /nfs/dbraw/zinc/35/72/50/813357250.db2.gz XIDDNFFTRRYUBW-HNNXBMFYSA-N 1 3 266.454 3.261 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206572881 813359281 /nfs/dbraw/zinc/35/92/81/813359281.db2.gz GYHNQPBHYAUSFB-QGZVFWFLSA-N 1 3 278.415 3.393 20 0 CGADHO CCCCOc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206606408 813373165 /nfs/dbraw/zinc/37/31/65/813373165.db2.gz NBQVHQZGKHKYGX-KRWDZBQOSA-N 1 3 290.451 3.426 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(Cc2cccc(-c3ccccc3)n2)C1 ZINC001206640738 813384054 /nfs/dbraw/zinc/38/40/54/813384054.db2.gz MCUXDBRTACXQNE-INIZCTEOSA-N 1 3 295.430 3.309 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001206760839 813426336 /nfs/dbraw/zinc/42/63/36/813426336.db2.gz MQYKZHAHECVKLO-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760839 813426340 /nfs/dbraw/zinc/42/63/40/813426340.db2.gz MQYKZHAHECVKLO-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])CN1CCCc1ccc(Cl)cc1 ZINC001206760839 813426343 /nfs/dbraw/zinc/42/63/43/813426343.db2.gz MQYKZHAHECVKLO-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO CC[NH+](CC)C1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207627396 813620559 /nfs/dbraw/zinc/62/05/59/813620559.db2.gz XGLWLCDLWRMXAD-ARFHVFGLSA-N 1 3 262.441 3.005 20 0 CGADHO CC[NH+](CC)C1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207627397 813620741 /nfs/dbraw/zinc/62/07/41/813620741.db2.gz XGLWLCDLWRMXAD-XHSDSOJGSA-N 1 3 262.441 3.005 20 0 CGADHO CCN(C)C1CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC1 ZINC001207683101 813635918 /nfs/dbraw/zinc/63/59/18/813635918.db2.gz LDIOWBPZNHTVPN-INIZCTEOSA-N 1 3 298.515 3.370 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CCN1CCC([NH+]2CCC2)CC1 ZINC001207693628 813637579 /nfs/dbraw/zinc/63/75/79/813637579.db2.gz UVEAFHAWIQQJMD-INIZCTEOSA-N 1 3 296.499 3.124 20 0 CGADHO CS[C@H](C)CC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001208152469 813710418 /nfs/dbraw/zinc/71/04/18/813710418.db2.gz HLSJSQHTDIPOIZ-OWCLPIDISA-N 1 3 284.513 3.467 20 0 CGADHO CS[C@H](C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001208152469 813710422 /nfs/dbraw/zinc/71/04/22/813710422.db2.gz HLSJSQHTDIPOIZ-OWCLPIDISA-N 1 3 284.513 3.467 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605971 813771957 /nfs/dbraw/zinc/77/19/57/813771957.db2.gz CSLVUIDSTDVEMH-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001208605971 813771960 /nfs/dbraw/zinc/77/19/60/813771960.db2.gz CSLVUIDSTDVEMH-WMLDXEAASA-N 1 3 276.399 3.304 20 0 CGADHO CC[N@@H+]1CCO[C@@H]2CN(CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659853 813783704 /nfs/dbraw/zinc/78/37/04/813783704.db2.gz LIGKKPJMEUZNFG-IXDOHACOSA-N 1 3 296.499 3.101 20 0 CGADHO CC[N@H+]1CCO[C@@H]2CN(CC[C@@H](C)CC(C)(C)C)C[C@@H]2C1 ZINC001208659853 813783707 /nfs/dbraw/zinc/78/37/07/813783707.db2.gz LIGKKPJMEUZNFG-IXDOHACOSA-N 1 3 296.499 3.101 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC001209405303 814015736 /nfs/dbraw/zinc/01/57/36/814015736.db2.gz XBYDDWXETMQUKZ-BJWYYQGGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222230741 816380651 /nfs/dbraw/zinc/38/06/51/816380651.db2.gz CQBLSYKDQVFNAT-WMZOPIPTSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@]12CCCNC2 ZINC001222230741 816380659 /nfs/dbraw/zinc/38/06/59/816380659.db2.gz CQBLSYKDQVFNAT-WMZOPIPTSA-N 1 3 296.499 3.172 20 0 CGADHO Fc1ccc(CCN2CCC[C@@]23CCC[NH2+]CC3)cc1F ZINC001222310858 816404912 /nfs/dbraw/zinc/40/49/12/816404912.db2.gz WTNNDAXTFYTDQV-QGZVFWFLSA-N 1 3 294.389 3.115 20 0 CGADHO Clc1ccsc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452821 816448457 /nfs/dbraw/zinc/44/84/57/816448457.db2.gz KVEWIWRUMJBEEJ-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC001232146552 818265031 /nfs/dbraw/zinc/26/50/31/818265031.db2.gz TWZHJVIDGPLSII-OAHLLOKOSA-N 1 3 298.352 3.118 20 0 CGADHO C[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001234978984 818970503 /nfs/dbraw/zinc/97/05/03/818970503.db2.gz MQCSRBRHUAZFQA-OIISXLGYSA-N 1 3 280.415 3.095 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CCC2(CNC2)C1 ZINC001235024611 818980202 /nfs/dbraw/zinc/98/02/02/818980202.db2.gz OWVCAGRHAPHWAG-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1CCC2(CNC2)C1 ZINC001235024611 818980207 /nfs/dbraw/zinc/98/02/07/818980207.db2.gz OWVCAGRHAPHWAG-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)=CCC[C@H](C)CCN1CCC2(C[NH2+]C2)C1 ZINC001235024611 818980214 /nfs/dbraw/zinc/98/02/14/818980214.db2.gz OWVCAGRHAPHWAG-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO c1ccc(C(CN2CCC3(C[NH2+]C3)C2)c2ccccc2)cc1 ZINC001235023932 818981298 /nfs/dbraw/zinc/98/12/98/818981298.db2.gz GPAPXZHDAMGQID-UHFFFAOYSA-N 1 3 292.426 3.114 20 0 CGADHO c1ccc(C(C[N@@H+]2CCC3(CNC3)C2)c2ccccc2)cc1 ZINC001235023932 818981303 /nfs/dbraw/zinc/98/13/03/818981303.db2.gz GPAPXZHDAMGQID-UHFFFAOYSA-N 1 3 292.426 3.114 20 0 CGADHO c1ccc(C(C[N@H+]2CCC3(CNC3)C2)c2ccccc2)cc1 ZINC001235023932 818981307 /nfs/dbraw/zinc/98/13/07/818981307.db2.gz GPAPXZHDAMGQID-UHFFFAOYSA-N 1 3 292.426 3.114 20 0 CGADHO Cc1ccc(CCCN2CCC[C@@]3(CCC[NH2+]3)CC2)o1 ZINC001235037115 818985982 /nfs/dbraw/zinc/98/59/82/818985982.db2.gz CHJZMMKWRVIXPR-KRWDZBQOSA-N 1 3 276.424 3.129 20 0 CGADHO Clc1ccc(CCN2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235036962 818986329 /nfs/dbraw/zinc/98/63/29/818986329.db2.gz AMSTWDBMLYPVSZ-KRWDZBQOSA-N 1 3 292.854 3.491 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC3(CC[NH2+]CC3)CC2)[nH]1 ZINC001235134761 819015397 /nfs/dbraw/zinc/01/53/97/819015397.db2.gz DARIVHIAYSZAAQ-UHFFFAOYSA-N 1 3 289.467 3.278 20 0 CGADHO CCc1ccccc1C[N@@H+]1CCCCC12CCNCC2 ZINC001235190575 819030719 /nfs/dbraw/zinc/03/07/19/819030719.db2.gz WIURGYJCKDIQNL-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO CCc1ccccc1C[N@H+]1CCCCC12CCNCC2 ZINC001235190575 819030720 /nfs/dbraw/zinc/03/07/20/819030720.db2.gz WIURGYJCKDIQNL-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO c1ccc(C2(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)CCCC2)cc1 ZINC001235256291 819053029 /nfs/dbraw/zinc/05/30/29/819053029.db2.gz RJSLHWFGDFOIOR-WMZOPIPTSA-N 1 3 284.447 3.182 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235266895 819056894 /nfs/dbraw/zinc/05/68/94/819056894.db2.gz HGWYXXVLYOWYLK-IEBWSBKVSA-N 1 3 286.463 3.413 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@H+](CC2CCCC2)CC3)cc1 ZINC001235361359 819078141 /nfs/dbraw/zinc/07/81/41/819078141.db2.gz FHBGJTXMBFGWBG-WOJBJXKFSA-N 1 3 298.474 3.430 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CC2CCCC2)CC3)cc1 ZINC001235361359 819078148 /nfs/dbraw/zinc/07/81/48/819078148.db2.gz FHBGJTXMBFGWBG-WOJBJXKFSA-N 1 3 298.474 3.430 20 0 CGADHO NC[C@H]1CCC[N@H+](CCCCCc2ccccc2)C1 ZINC001235673246 819133660 /nfs/dbraw/zinc/13/36/60/819133660.db2.gz NBICXFRLEGWUSH-QGZVFWFLSA-N 1 3 260.425 3.070 20 0 CGADHO NC[C@H]1CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001235673246 819133662 /nfs/dbraw/zinc/13/36/62/819133662.db2.gz NBICXFRLEGWUSH-QGZVFWFLSA-N 1 3 260.425 3.070 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc(Cl)ccc2SC)CC1 ZINC001235679094 819138489 /nfs/dbraw/zinc/13/84/89/819138489.db2.gz LJJFJCFYABAPTM-UHFFFAOYSA-N 1 3 298.883 3.493 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1Cc1cccc2c(F)cccc12 ZINC001235925131 819223860 /nfs/dbraw/zinc/22/38/60/819223860.db2.gz CCMXAXDEDQREAZ-AWEZNQCLSA-N 1 3 272.367 3.292 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930293 819228170 /nfs/dbraw/zinc/22/81/70/819228170.db2.gz VSZGTUAKABOKDF-HOTGVXAUSA-N 1 3 272.436 3.025 20 0 CGADHO c1cc(-c2cccc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)c2)cs1 ZINC001235934650 819230946 /nfs/dbraw/zinc/23/09/46/819230946.db2.gz CHIFJVWHGCDSKT-AEFFLSMTSA-N 1 3 298.455 3.456 20 0 CGADHO Fc1ccc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235942858 819234554 /nfs/dbraw/zinc/23/45/54/819234554.db2.gz YHKIQNIWMOUQKY-UKRRQHHQSA-N 1 3 284.378 3.020 20 0 CGADHO Cc1ccc(C[N@@H+](CCN)C(C)C)c(C)c1Cl ZINC001235946981 819236569 /nfs/dbraw/zinc/23/65/69/819236569.db2.gz FJRLZHFTGADENL-UHFFFAOYSA-N 1 3 254.805 3.126 20 0 CGADHO Cc1ccc(C[N@H+](CCN)C(C)C)c(C)c1Cl ZINC001235946981 819236573 /nfs/dbraw/zinc/23/65/73/819236573.db2.gz FJRLZHFTGADENL-UHFFFAOYSA-N 1 3 254.805 3.126 20 0 CGADHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(CCCCCc1ccccc1)C2 ZINC001235958299 819245858 /nfs/dbraw/zinc/24/58/58/819245858.db2.gz DBYDRIXCKJRMAP-BCDXTJNWSA-N 1 3 272.436 3.069 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044976 819281909 /nfs/dbraw/zinc/28/19/09/819281909.db2.gz QVGUGYXDLJKLSG-AEFFLSMTSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044976 819281915 /nfs/dbraw/zinc/28/19/15/819281915.db2.gz QVGUGYXDLJKLSG-AEFFLSMTSA-N 1 3 290.451 3.043 20 0 CGADHO CCC[N@H+](Cc1c(C)[nH]c2ccccc21)C1CCNCC1 ZINC001236180243 819358294 /nfs/dbraw/zinc/35/82/94/819358294.db2.gz DLGHZQYBPFNRME-UHFFFAOYSA-N 1 3 285.435 3.440 20 0 CGADHO CCC[N@@H+](Cc1c(C)[nH]c2ccccc21)C1CCNCC1 ZINC001236180243 819358303 /nfs/dbraw/zinc/35/83/03/819358303.db2.gz DLGHZQYBPFNRME-UHFFFAOYSA-N 1 3 285.435 3.440 20 0 CGADHO C[N@H+](Cc1cccc2occc21)[C@H]1CCCC[C@H]1N ZINC001236217226 819382014 /nfs/dbraw/zinc/38/20/14/819382014.db2.gz OFZCKXWBYQGXOG-CABCVRRESA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2occc21)[C@H]1CCCC[C@H]1N ZINC001236217226 819382021 /nfs/dbraw/zinc/38/20/21/819382021.db2.gz OFZCKXWBYQGXOG-CABCVRRESA-N 1 3 258.365 3.135 20 0 CGADHO C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@@H]1N ZINC001236218075 819384590 /nfs/dbraw/zinc/38/45/90/819384590.db2.gz RIRXAVFFSWVGFX-LSDHHAIUSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@@H]1N ZINC001236218075 819384594 /nfs/dbraw/zinc/38/45/94/819384594.db2.gz RIRXAVFFSWVGFX-LSDHHAIUSA-N 1 3 275.371 3.009 20 0 CGADHO Clc1cc(Cl)cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314992 819420787 /nfs/dbraw/zinc/42/07/87/819420787.db2.gz UFKVBQNXJWZKPC-BETUJISGSA-N 1 3 299.245 3.425 20 0 CGADHO CCN(CCCc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236408303 819456328 /nfs/dbraw/zinc/45/63/28/819456328.db2.gz NASZKJDPKBGCDB-CQSZACIVSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417164 819463496 /nfs/dbraw/zinc/46/34/96/819463496.db2.gz XLQSQEGQCRXRHL-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417164 819463499 /nfs/dbraw/zinc/46/34/99/819463499.db2.gz XLQSQEGQCRXRHL-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO Fc1ccccc1CCCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584762 819545591 /nfs/dbraw/zinc/54/55/91/819545591.db2.gz SSBCTGGRMHTZTI-HNNXBMFYSA-N 1 3 290.426 3.222 20 0 CGADHO CCCN(CCc1ccc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236827343 819609347 /nfs/dbraw/zinc/60/93/47/819609347.db2.gz FXZWUKGGUHSYDY-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO CCCN(Cc1cc(C)cc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236842340 819618219 /nfs/dbraw/zinc/61/82/19/819618219.db2.gz FESVAQVMFFGEBC-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc3cccccc2-3)C1 ZINC001237079861 819661828 /nfs/dbraw/zinc/66/18/28/819661828.db2.gz CPEHVWIMUTVVME-SFHVURJKSA-N 1 3 268.404 3.352 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001237204657 819698038 /nfs/dbraw/zinc/69/80/38/819698038.db2.gz RHONMPHWKTVFTF-ACJLOTCBSA-N 1 3 284.378 3.414 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001237204657 819698041 /nfs/dbraw/zinc/69/80/41/819698041.db2.gz RHONMPHWKTVFTF-ACJLOTCBSA-N 1 3 284.378 3.414 20 0 CGADHO C[C@H]([NH3+])c1ccc(C2=CCN(Cc3ccccc3)CC2)cn1 ZINC001241507707 821907358 /nfs/dbraw/zinc/90/73/58/821907358.db2.gz NGYPCHVGKOASIN-HNNXBMFYSA-N 1 3 293.414 3.391 20 0 CGADHO CN1CCC=C(c2cccc(C[NH+]3CCCC3)c2)C1 ZINC001241569739 821955191 /nfs/dbraw/zinc/95/51/91/821955191.db2.gz OAOFVHOFWXUFTN-UHFFFAOYSA-N 1 3 256.393 3.001 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075949 936800492 /nfs/dbraw/zinc/80/04/92/936800492.db2.gz AXYKEWDVXCYBLR-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075949 936800494 /nfs/dbraw/zinc/80/04/94/936800494.db2.gz AXYKEWDVXCYBLR-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075949 936800496 /nfs/dbraw/zinc/80/04/96/936800496.db2.gz AXYKEWDVXCYBLR-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)CCN1CCC([NH2+]C/C=C/C2CC2)CC1 ZINC001354257355 937095861 /nfs/dbraw/zinc/09/58/61/937095861.db2.gz POLMSNPGBLDBSB-ONEGZZNKSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)CC(C)(C)C ZINC001459949128 928726784 /nfs/dbraw/zinc/72/67/84/928726784.db2.gz DXRYTIKYDBIMPJ-HUUCEWRRSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)CC(C)(C)C ZINC001459949128 928726796 /nfs/dbraw/zinc/72/67/96/928726796.db2.gz DXRYTIKYDBIMPJ-HUUCEWRRSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@H](C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1)C(C)(C)C ZINC001460710909 937541050 /nfs/dbraw/zinc/54/10/50/937541050.db2.gz QJWXKIOORBNAJA-HUUCEWRRSA-N 1 3 275.440 3.274 20 0 CGADHO C[C@H](C[N@H+]1CCN(c2ccncc2)[C@H](C)C1)C(C)(C)C ZINC001460710909 937541052 /nfs/dbraw/zinc/54/10/52/937541052.db2.gz QJWXKIOORBNAJA-HUUCEWRRSA-N 1 3 275.440 3.274 20 0 CGADHO CC[NH+]1CCC(NCc2cc(C)c3ncccc3c2)CC1 ZINC001460999571 937558258 /nfs/dbraw/zinc/55/82/58/937558258.db2.gz HJKKMYGEXKLABU-UHFFFAOYSA-N 1 3 283.419 3.117 20 0 CGADHO C[C@@H]1C[N@H+](CCC(C)(C)C)CCN1c1ccncc1 ZINC001308039560 933038476 /nfs/dbraw/zinc/03/84/76/933038476.db2.gz GBGCNERMGFXYON-CQSZACIVSA-N 1 3 261.413 3.028 20 0 CGADHO C[C@@H]1C[N@@H+](CCC(C)(C)C)CCN1c1ccncc1 ZINC001308039560 933038480 /nfs/dbraw/zinc/03/84/80/933038480.db2.gz GBGCNERMGFXYON-CQSZACIVSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)CC1 ZINC001462582523 937652029 /nfs/dbraw/zinc/65/20/29/937652029.db2.gz CKIFBYFBMYIYEY-ONIAQPFYSA-N 1 3 278.484 3.379 20 0 CGADHO CC[C@@H](C[NH2+]C[C@H]1CN2CCC1CC2)c1ccccc1 ZINC001462633302 937655532 /nfs/dbraw/zinc/65/55/32/937655532.db2.gz GKVZHSKGAXHSAR-YJBOKZPZSA-N 1 3 272.436 3.112 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001308987258 933222379 /nfs/dbraw/zinc/22/23/79/933222379.db2.gz GXAKWJNOPQIAGS-XUWVNRHRSA-N 1 3 252.446 3.133 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001319189381 933838338 /nfs/dbraw/zinc/83/83/38/933838338.db2.gz FSDLUXJWQBVITH-ZIAGYGMSSA-N 1 3 264.388 3.208 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001319753556 933926490 /nfs/dbraw/zinc/92/64/90/933926490.db2.gz DKFQSSRYYCOLFY-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001319753556 933926498 /nfs/dbraw/zinc/92/64/98/933926498.db2.gz DKFQSSRYYCOLFY-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO CCN1CCN(c2c(C)c[nH+]c3ccccc32)C[C@H]1C ZINC001322967011 934353159 /nfs/dbraw/zinc/35/31/59/934353159.db2.gz SNECFJNGAMLKET-CQSZACIVSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001326234494 934962612 /nfs/dbraw/zinc/96/26/12/934962612.db2.gz LZHORGSORWMOJZ-INIZCTEOSA-N 1 3 295.430 3.465 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317661 937851437 /nfs/dbraw/zinc/85/14/37/937851437.db2.gz IWKJPHRYHUMKPY-YJBOKZPZSA-N 1 3 299.462 3.340 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@@H](C)C1 ZINC001474317661 937851439 /nfs/dbraw/zinc/85/14/39/937851439.db2.gz IWKJPHRYHUMKPY-YJBOKZPZSA-N 1 3 299.462 3.340 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1(C)C ZINC001474628196 937871500 /nfs/dbraw/zinc/87/15/00/937871500.db2.gz AOTXAPIVHPYUOQ-GVDBMIGSSA-N 1 3 296.499 3.292 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC001550540380 938167709 /nfs/dbraw/zinc/16/77/09/938167709.db2.gz CJZYXKXWYVHFES-YQQAZPJKSA-N 1 3 276.399 3.160 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001550540380 938167710 /nfs/dbraw/zinc/16/77/10/938167710.db2.gz CJZYXKXWYVHFES-YQQAZPJKSA-N 1 3 276.399 3.160 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001550944024 938172777 /nfs/dbraw/zinc/17/27/77/938172777.db2.gz VEIZCMLTRYHJGM-OEAJRASXSA-N 1 3 294.389 3.013 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001553026271 938196126 /nfs/dbraw/zinc/19/61/26/938196126.db2.gz RDMCDOURJLRISO-LCSXWQTCSA-N 1 3 270.420 3.101 20 0 CGADHO CCC1(C[NH2+]CC[C@H](C)N2CCCCC2)CCOCC1 ZINC001560436400 938258436 /nfs/dbraw/zinc/25/84/36/938258436.db2.gz DUSKUKWQCPEOSR-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO CC(C)C1(C[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)CC1 ZINC001560986861 938287971 /nfs/dbraw/zinc/28/79/71/938287971.db2.gz HBMUMWQUMKYNHP-OAHLLOKOSA-N 1 3 273.424 3.028 20 0 CGADHO CC(C)C1(C[N@H+]2CCN(c3ccncc3)[C@H](C)C2)CC1 ZINC001560986861 938287973 /nfs/dbraw/zinc/28/79/73/938287973.db2.gz HBMUMWQUMKYNHP-OAHLLOKOSA-N 1 3 273.424 3.028 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]CCC3CCCCCC3)[C@H]2C1 ZINC001561052675 938292390 /nfs/dbraw/zinc/29/23/90/938292390.db2.gz IGRVBUNQWGBXKF-ULQDDVLXSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@]1(CNC2(Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC001576519933 960474425 /nfs/dbraw/zinc/47/44/25/960474425.db2.gz WJBFBKKCZGCCMW-HNNXBMFYSA-N 1 3 278.827 3.004 20 0 CGADHO C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795567 962326091 /nfs/dbraw/zinc/32/60/91/962326091.db2.gz NJOAWZTYEKFTJJ-SJLPKXTDSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001575423773 962375118 /nfs/dbraw/zinc/37/51/18/962375118.db2.gz XQZIDVMKXDDTQJ-ROUUACIJSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001575423773 962375137 /nfs/dbraw/zinc/37/51/37/962375137.db2.gz XQZIDVMKXDDTQJ-ROUUACIJSA-N 1 3 274.452 3.172 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001575423099 962379154 /nfs/dbraw/zinc/37/91/54/962379154.db2.gz PKBKMZRGYHXCEA-HOTGVXAUSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001575423099 962379160 /nfs/dbraw/zinc/37/91/60/962379160.db2.gz PKBKMZRGYHXCEA-HOTGVXAUSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001575940980 962419391 /nfs/dbraw/zinc/41/93/91/962419391.db2.gz GBHGKTUMSDEDFI-LXTVHRRPSA-N 1 3 294.464 3.088 20 0 CGADHO CCCC1CCC(C[NH2+][C@@H]2CNCC2(C)C)CC1 ZINC001577374996 962537375 /nfs/dbraw/zinc/53/73/75/962537375.db2.gz MSNPNKNTKAQLNT-YMAMQOFZSA-N 1 3 252.446 3.181 20 0 CGADHO CCO[C@H]1C[C@@H](N(C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087221 962560893 /nfs/dbraw/zinc/56/08/93/962560893.db2.gz GJRFGQKSJRPPHO-CABCVRRESA-N 1 3 282.472 3.031 20 0 CGADHO Cc1nn(C(C)C)c(C)c1CN(C)CCCCCC[NH3+] ZINC001579889727 962683037 /nfs/dbraw/zinc/68/30/37/962683037.db2.gz XBHBKUJSPPJYNQ-UHFFFAOYSA-N 1 3 280.460 3.032 20 0 CGADHO [NH3+]C1(CNCC(c2ccccc2)c2ccccc2)CCC1 ZINC001580152857 962694789 /nfs/dbraw/zinc/69/47/89/962694789.db2.gz UTVWHENOBFIIJC-UHFFFAOYSA-N 1 3 280.415 3.290 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127747107 187329802 /nfs/dbraw/zinc/32/98/02/187329802.db2.gz WNBXRQNCZRJPBD-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127747107 187329803 /nfs/dbraw/zinc/32/98/03/187329803.db2.gz WNBXRQNCZRJPBD-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccccc1 ZINC000124803448 187155044 /nfs/dbraw/zinc/15/50/44/187155044.db2.gz FHLXFZMBOVDLIX-IAGOWNOFSA-N 1 3 258.409 3.308 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccccc1 ZINC000124803448 187155045 /nfs/dbraw/zinc/15/50/45/187155045.db2.gz FHLXFZMBOVDLIX-IAGOWNOFSA-N 1 3 258.409 3.308 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1 ZINC000089148226 290009562 /nfs/dbraw/zinc/00/95/62/290009562.db2.gz VWWOSHMUZRDNEB-ZKYQVNSYSA-N 1 3 297.240 3.227 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1 ZINC000337394788 282147800 /nfs/dbraw/zinc/14/78/00/282147800.db2.gz OWSMYKFQPIXYTD-RCCFBDPRSA-N 1 3 272.436 3.417 20 0 CGADHO Cc1ccccc1C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000096971162 185143873 /nfs/dbraw/zinc/14/38/73/185143873.db2.gz DEZKXVHUHBQOSC-KRWDZBQOSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ccccc1C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000096971162 185143875 /nfs/dbraw/zinc/14/38/75/185143875.db2.gz DEZKXVHUHBQOSC-KRWDZBQOSA-N 1 3 260.425 3.301 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000651864733 398298217 /nfs/dbraw/zinc/29/82/17/398298217.db2.gz BRMPZXRGBFJGLJ-AWEZNQCLSA-N 1 3 272.502 3.086 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414797902 529431291 /nfs/dbraw/zinc/43/12/91/529431291.db2.gz IQCGEMILKPVSAC-BBWFWOEESA-N 1 3 260.425 3.115 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423476940 529453423 /nfs/dbraw/zinc/45/34/23/529453423.db2.gz SXFOPUVGRCFMDI-SUNKGSAMSA-N 1 3 254.805 3.159 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423456933 529567829 /nfs/dbraw/zinc/56/78/29/529567829.db2.gz DYKRZSNYMOWODQ-SUMWQHHRSA-N 1 3 269.392 3.137 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423486584 529568787 /nfs/dbraw/zinc/56/87/87/529568787.db2.gz ZOMSWKUAVIJMQR-KGLIPLIRSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423296245 529610204 /nfs/dbraw/zinc/61/02/04/529610204.db2.gz GKOLVLGLFDBPQB-UGSOOPFHSA-N 1 3 286.419 3.484 20 0 CGADHO CC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccncc1 ZINC000423296594 529629318 /nfs/dbraw/zinc/62/93/18/529629318.db2.gz ZMTDWCXMTUWNTJ-GUYCJALGSA-N 1 3 269.392 3.342 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCC1 ZINC000449223311 529630634 /nfs/dbraw/zinc/63/06/34/529630634.db2.gz XRHLSQFKMMIVDH-KRWDZBQOSA-N 1 3 260.425 3.417 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1C[C@H]1C ZINC000414060204 529630986 /nfs/dbraw/zinc/63/09/86/529630986.db2.gz JFEIZQXFXUQSFP-XYPHTWIQSA-N 1 3 260.425 3.272 20 0 CGADHO CCOc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623359351 349788104 /nfs/dbraw/zinc/78/81/04/349788104.db2.gz MXHUZLCFPRQDEP-OAHLLOKOSA-N 1 3 276.424 3.048 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccncc2Cl)C1 ZINC000623358028 349788474 /nfs/dbraw/zinc/78/84/74/349788474.db2.gz LVJSNGVYCUTHFS-CQSZACIVSA-N 1 3 295.858 3.337 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccncc2Cl)C1 ZINC000623358028 349788475 /nfs/dbraw/zinc/78/84/75/349788475.db2.gz LVJSNGVYCUTHFS-CQSZACIVSA-N 1 3 295.858 3.337 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000423359941 529670478 /nfs/dbraw/zinc/67/04/78/529670478.db2.gz DROKZTMVKHFJBF-ILXRZTDVSA-N 1 3 250.361 3.136 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000126542003 187246792 /nfs/dbraw/zinc/24/67/92/187246792.db2.gz GUCGDTRULUMNKI-KDOFPFPSSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126542003 187246794 /nfs/dbraw/zinc/24/67/94/187246794.db2.gz GUCGDTRULUMNKI-KDOFPFPSSA-N 1 3 270.420 3.056 20 0 CGADHO Clc1cnccc1CNCCCCC[NH+]1CCCCC1 ZINC000623417714 349803621 /nfs/dbraw/zinc/80/36/21/349803621.db2.gz LTJMVYSTFXFBIP-UHFFFAOYSA-N 1 3 295.858 3.481 20 0 CGADHO Cc1cnc([C@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623492297 349820019 /nfs/dbraw/zinc/82/00/19/349820019.db2.gz SEEFXNYSUFWIJY-YPMHNXCESA-N 1 3 281.469 3.017 20 0 CGADHO Cc1cnc([C@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623492297 349820022 /nfs/dbraw/zinc/82/00/22/349820022.db2.gz SEEFXNYSUFWIJY-YPMHNXCESA-N 1 3 281.469 3.017 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000368611388 529806651 /nfs/dbraw/zinc/80/66/51/529806651.db2.gz CSSJKXDCWWEYIM-RWMBFGLXSA-N 1 3 284.856 3.364 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000368611388 529806652 /nfs/dbraw/zinc/80/66/52/529806652.db2.gz CSSJKXDCWWEYIM-RWMBFGLXSA-N 1 3 284.856 3.364 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000368611388 529806653 /nfs/dbraw/zinc/80/66/53/529806653.db2.gz CSSJKXDCWWEYIM-RWMBFGLXSA-N 1 3 284.856 3.364 20 0 CGADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000414174190 529807210 /nfs/dbraw/zinc/80/72/10/529807210.db2.gz XVNANSCHZGFEOK-GCDKYVQMSA-N 1 3 288.410 3.144 20 0 CGADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000414174190 529807212 /nfs/dbraw/zinc/80/72/12/529807212.db2.gz XVNANSCHZGFEOK-GCDKYVQMSA-N 1 3 288.410 3.144 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000623657574 349859977 /nfs/dbraw/zinc/85/99/77/349859977.db2.gz UTXJHLBEBZNKSS-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000623656806 349857632 /nfs/dbraw/zinc/85/76/32/349857632.db2.gz CGAMYTJHHYOIHC-ZDUSSCGKSA-N 1 3 289.448 3.118 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656863 349857775 /nfs/dbraw/zinc/85/77/75/349857775.db2.gz DKJFYLWDTDWPDR-HOCLYGCPSA-N 1 3 278.415 3.078 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](CSc1ccccc1)C(C)C ZINC000423281636 529985981 /nfs/dbraw/zinc/98/59/81/529985981.db2.gz VVYBULYEITYZOW-ZBFHGGJFSA-N 1 3 280.481 3.248 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](CSc1ccccc1)C(C)C ZINC000423281631 529986412 /nfs/dbraw/zinc/98/64/12/529986412.db2.gz VVYBULYEITYZOW-GDBMZVCRSA-N 1 3 280.481 3.248 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000423268361 529998936 /nfs/dbraw/zinc/99/89/36/529998936.db2.gz GDQPDPWNOIHXRZ-STQMWFEESA-N 1 3 274.383 3.485 20 0 CGADHO Cc1nc(C)c([C@@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000049538731 345074363 /nfs/dbraw/zinc/07/43/63/345074363.db2.gz QJRZXSIZZQPKRG-SNVBAGLBSA-N 1 3 275.421 3.069 20 0 CGADHO CC[NH+](CC)CC1CCN(CCOCCC(C)C)CC1 ZINC000056494172 345165431 /nfs/dbraw/zinc/16/54/31/345165431.db2.gz HWWMXALYHWPXSW-UHFFFAOYSA-N 1 3 284.488 3.103 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(CC)s2)CC1 ZINC000053658877 345124410 /nfs/dbraw/zinc/12/44/10/345124410.db2.gz HLJYWJWMHGBXRW-UHFFFAOYSA-N 1 3 266.454 3.132 20 0 CGADHO CN(C)c1cccc(C[N@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000075860929 345524644 /nfs/dbraw/zinc/52/46/44/345524644.db2.gz LJTHRNQPAJFZSV-QGZVFWFLSA-N 1 3 289.467 3.059 20 0 CGADHO CN(C)c1cccc(C[N@@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000075860929 345524647 /nfs/dbraw/zinc/52/46/47/345524647.db2.gz LJTHRNQPAJFZSV-QGZVFWFLSA-N 1 3 289.467 3.059 20 0 CGADHO CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN(C)C ZINC000623987954 349937428 /nfs/dbraw/zinc/93/74/28/349937428.db2.gz USZFMVZBCYDMBY-NVXWUHKLSA-N 1 3 262.441 3.185 20 0 CGADHO C1=C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000090393383 345786338 /nfs/dbraw/zinc/78/63/38/345786338.db2.gz JDXXBCFTTBDJRN-HNNXBMFYSA-N 1 3 262.441 3.482 20 0 CGADHO C1=C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000090393383 345786342 /nfs/dbraw/zinc/78/63/42/345786342.db2.gz JDXXBCFTTBDJRN-HNNXBMFYSA-N 1 3 262.441 3.482 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1ccc2ccccc2c1 ZINC000145106384 346119763 /nfs/dbraw/zinc/11/97/63/346119763.db2.gz CZBJMERBLZPTIB-ZDUSSCGKSA-N 1 3 254.377 3.242 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000159956648 346169530 /nfs/dbraw/zinc/16/95/30/346169530.db2.gz MDNCYCABCKXXLX-LERXQTSPSA-N 1 3 252.789 3.261 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCC[C@H]3CCC[C@H]31)CNCC2 ZINC000228244980 346314032 /nfs/dbraw/zinc/31/40/32/346314032.db2.gz AHARDSMJLLSFCR-SJLPKXTDSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCC[C@H]3CCC[C@H]31)CNCC2 ZINC000228244980 346314035 /nfs/dbraw/zinc/31/40/35/346314035.db2.gz AHARDSMJLLSFCR-SJLPKXTDSA-N 1 3 270.420 3.097 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615801 346382656 /nfs/dbraw/zinc/38/26/56/346382656.db2.gz SSNKWZJCQDUXLN-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615801 346382663 /nfs/dbraw/zinc/38/26/63/346382663.db2.gz SSNKWZJCQDUXLN-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615801 346382668 /nfs/dbraw/zinc/38/26/68/346382668.db2.gz SSNKWZJCQDUXLN-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615802 346382694 /nfs/dbraw/zinc/38/26/94/346382694.db2.gz SSNKWZJCQDUXLN-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615802 346382700 /nfs/dbraw/zinc/38/27/00/346382700.db2.gz SSNKWZJCQDUXLN-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249615802 346382702 /nfs/dbraw/zinc/38/27/02/346382702.db2.gz SSNKWZJCQDUXLN-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC1CC1 ZINC000253055810 346393237 /nfs/dbraw/zinc/39/32/37/346393237.db2.gz ALFPNCSLTMLMDU-ARFHVFGLSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc(SCCN2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000351852274 219227080 /nfs/dbraw/zinc/22/70/80/219227080.db2.gz MHMDJICSMHYCNV-GJZGRUSLSA-N 1 3 278.465 3.065 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120465 349976230 /nfs/dbraw/zinc/97/62/30/349976230.db2.gz ZXRLUKXBYIFFBN-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)ccc1F ZINC000624121785 349980773 /nfs/dbraw/zinc/98/07/73/349980773.db2.gz CXANLEBDAAXENN-ZIAGYGMSSA-N 1 3 294.414 3.217 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000339408240 215152699 /nfs/dbraw/zinc/15/26/99/215152699.db2.gz WJPZFUBVCSQVHK-XIRDDKMYSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@H]([C@H](C)N)C1)c1ccccc1 ZINC000339408240 215152700 /nfs/dbraw/zinc/15/27/00/215152700.db2.gz WJPZFUBVCSQVHK-XIRDDKMYSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@@H](C[N@H+](C)C1CCNCC1)c1ccccc1 ZINC000339407491 215153180 /nfs/dbraw/zinc/15/31/80/215153180.db2.gz NUQNFGMHZLDBIT-QGZVFWFLSA-N 1 3 260.425 3.110 20 0 CGADHO CC(C)[C@@H](C[N@@H+](C)C1CCNCC1)c1ccccc1 ZINC000339407491 215153182 /nfs/dbraw/zinc/15/31/82/215153182.db2.gz NUQNFGMHZLDBIT-QGZVFWFLSA-N 1 3 260.425 3.110 20 0 CGADHO CC(C)[C@@H](CN(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000339407491 215153184 /nfs/dbraw/zinc/15/31/84/215153184.db2.gz NUQNFGMHZLDBIT-QGZVFWFLSA-N 1 3 260.425 3.110 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccncc1 ZINC000624123495 349982738 /nfs/dbraw/zinc/98/27/38/349982738.db2.gz NFOLDXHNIJXARB-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CCCc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000608061451 348280461 /nfs/dbraw/zinc/28/04/61/348280461.db2.gz CISJOXBPRQTYEN-YOEHRIQHSA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000608061451 348280463 /nfs/dbraw/zinc/28/04/63/348280463.db2.gz CISJOXBPRQTYEN-YOEHRIQHSA-N 1 3 260.425 3.211 20 0 CGADHO Cc1c[nH+]ccc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000359530144 233329811 /nfs/dbraw/zinc/32/98/11/233329811.db2.gz GMLJXWLIZYNKJM-GOSISDBHSA-N 1 3 295.430 3.491 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000628425255 350535404 /nfs/dbraw/zinc/53/54/04/350535404.db2.gz FTIUKAPYVXFEMA-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNCCc2ccc(Cl)cc2)C1 ZINC000628425255 350535408 /nfs/dbraw/zinc/53/54/08/350535408.db2.gz FTIUKAPYVXFEMA-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@H+]1CCCC[C@H](CNCCc2ccc(Cl)cc2)C1 ZINC000628425255 350535411 /nfs/dbraw/zinc/53/54/11/350535411.db2.gz FTIUKAPYVXFEMA-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425694 350536825 /nfs/dbraw/zinc/53/68/25/350536825.db2.gz SHAJADLNRUQLLK-NVXWUHKLSA-N 1 3 290.451 3.035 20 0 CGADHO C[C@H](NCCOCCC[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000629535427 350705214 /nfs/dbraw/zinc/70/52/14/350705214.db2.gz CLPPRCDHDFHMRE-NSHDSACASA-N 1 3 296.798 3.102 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC(CC[NH3+])CC1 ZINC000629548241 350710356 /nfs/dbraw/zinc/71/03/56/350710356.db2.gz MYUCMHLFBMDTNQ-UHFFFAOYSA-N 1 3 275.440 3.074 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000352232325 219373991 /nfs/dbraw/zinc/37/39/91/219373991.db2.gz UIDLURXFYBMRSK-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO C[C@H]1C[C@H](CNC2(c3c(F)cccc3F)CCC2)CC[NH2+]1 ZINC000629673665 350734606 /nfs/dbraw/zinc/73/46/06/350734606.db2.gz AXCRBGTUFUAXFB-QWHCGFSZSA-N 1 3 294.389 3.322 20 0 CGADHO C[C@H]1C[C@@H](CNC2(c3c(F)cccc3F)CCC2)CC[NH2+]1 ZINC000629673666 350734710 /nfs/dbraw/zinc/73/47/10/350734710.db2.gz AXCRBGTUFUAXFB-STQMWFEESA-N 1 3 294.389 3.322 20 0 CGADHO CCc1cc(N2CCC(C)([NH+]3CCCC3)CC2)ccn1 ZINC000631443824 351042120 /nfs/dbraw/zinc/04/21/20/351042120.db2.gz FQWYPBSOWKVEBT-UHFFFAOYSA-N 1 3 273.424 3.099 20 0 CGADHO CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCCC1 ZINC000093491580 535158475 /nfs/dbraw/zinc/15/84/75/535158475.db2.gz IVKOTSXUYFIYKI-HRCADAONSA-N 1 3 264.457 3.467 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@H]2CCC[C@@H]21 ZINC000631685067 351118818 /nfs/dbraw/zinc/11/88/18/351118818.db2.gz WTRGNYRILODCSR-AOIWGVFYSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@H]2CCC[C@@H]21 ZINC000631685067 351118820 /nfs/dbraw/zinc/11/88/20/351118820.db2.gz WTRGNYRILODCSR-AOIWGVFYSA-N 1 3 295.430 3.197 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3ncccc23)C[C@@H]1CN ZINC000634687976 351574056 /nfs/dbraw/zinc/57/40/56/351574056.db2.gz DYYWOXNUQYBYDS-YCPHGPKFSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3ncccc23)C[C@@H]1CN ZINC000634687976 351574061 /nfs/dbraw/zinc/57/40/61/351574061.db2.gz DYYWOXNUQYBYDS-YCPHGPKFSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cccc3ncccc23)C[C@@H]1C[NH3+] ZINC000634687976 351574065 /nfs/dbraw/zinc/57/40/65/351574065.db2.gz DYYWOXNUQYBYDS-YCPHGPKFSA-N 1 3 283.419 3.040 20 0 CGADHO COc1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635023845 351634063 /nfs/dbraw/zinc/63/40/63/351634063.db2.gz SQYXCTZEAKZYOM-CQSZACIVSA-N 1 3 296.414 3.192 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CCCF)Cc1ccccc1 ZINC000635006539 351624656 /nfs/dbraw/zinc/62/46/56/351624656.db2.gz LTORMOHTHWOFLJ-KZNAEPCWSA-N 1 3 292.442 3.455 20 0 CGADHO Cc1ccccc1[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011807 351629703 /nfs/dbraw/zinc/62/97/03/351629703.db2.gz PFWMTMUHQHKHQD-LSDHHAIUSA-N 1 3 260.425 3.424 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000339844406 215359819 /nfs/dbraw/zinc/35/98/19/215359819.db2.gz YATHDPCIBYVSLD-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000339844406 215359821 /nfs/dbraw/zinc/35/98/21/215359821.db2.gz YATHDPCIBYVSLD-AEFFLSMTSA-N 1 3 272.436 3.220 20 0 CGADHO C[NH+](C)CC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000336462226 213330456 /nfs/dbraw/zinc/33/04/56/213330456.db2.gz NWTMOYZZMBDUES-KRWDZBQOSA-N 1 3 276.399 3.087 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000152397173 188015828 /nfs/dbraw/zinc/01/58/28/188015828.db2.gz NIIZQDZXRJGAIB-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397173 188015829 /nfs/dbraw/zinc/01/58/29/188015829.db2.gz NIIZQDZXRJGAIB-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@@H](NCc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152948071 188055137 /nfs/dbraw/zinc/05/51/37/188055137.db2.gz FBKNQHOSIDMVMG-MRXNPFEDSA-N 1 3 298.430 3.478 20 0 CGADHO C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(OCCN(C)C)c1 ZINC000537452153 288530252 /nfs/dbraw/zinc/53/02/52/288530252.db2.gz MVFHPOTXXHMTAD-AWEZNQCLSA-N 1 3 288.435 3.220 20 0 CGADHO Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)c2ccccc2n1 ZINC000111612596 138364467 /nfs/dbraw/zinc/36/44/67/138364467.db2.gz YZHCQHQDGFUSIJ-CYBMUJFWSA-N 1 3 269.392 3.107 20 0 CGADHO Cc1cc(N2CCC([C@H](C)[NH3+])CC2)c2ccccc2n1 ZINC000111612599 138364480 /nfs/dbraw/zinc/36/44/80/138364480.db2.gz YZHCQHQDGFUSIJ-ZDUSSCGKSA-N 1 3 269.392 3.107 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)N)c2ccccc12 ZINC000423286970 236024724 /nfs/dbraw/zinc/02/47/24/236024724.db2.gz JSNZVHIPGBKTOY-LBPRGKRZSA-N 1 3 272.392 3.236 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(SCC(F)F)cc1 ZINC000423287872 236025058 /nfs/dbraw/zinc/02/50/58/236025058.db2.gz OZSGJLUYYMERKE-JTQLQIEISA-N 1 3 288.407 3.432 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc(C)c1F ZINC000423273066 236017559 /nfs/dbraw/zinc/01/75/59/236017559.db2.gz KGXAOJUTXGKVBW-OCCSQVGLSA-N 1 3 252.377 3.076 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000423370520 236053100 /nfs/dbraw/zinc/05/31/00/236053100.db2.gz GXMGWEYMDQZAEX-QWQRMKEZSA-N 1 3 272.436 3.357 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@H]1CC[NH2+]C[C@H]1C ZINC000423407421 236066221 /nfs/dbraw/zinc/06/62/21/236066221.db2.gz VTKWEJSWCGEAQZ-PVAVHDDUSA-N 1 3 272.436 3.268 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCNC[C@H]1C ZINC000423407421 236066223 /nfs/dbraw/zinc/06/62/23/236066223.db2.gz VTKWEJSWCGEAQZ-PVAVHDDUSA-N 1 3 272.436 3.268 20 0 CGADHO Clc1ccc([C@H]2CCC[C@@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423470583 236079420 /nfs/dbraw/zinc/07/94/20/236079420.db2.gz ZESNANBIKANMAH-BMQFZULRSA-N 1 3 290.838 3.174 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423534332 236094236 /nfs/dbraw/zinc/09/42/36/236094236.db2.gz VMXWZFMLRKUCCP-LSTHTHJFSA-N 1 3 294.442 3.271 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000178035178 299289877 /nfs/dbraw/zinc/28/98/77/299289877.db2.gz NJQRSIYISDTIKA-KFWWJZLASA-N 1 3 296.480 3.288 20 0 CGADHO CC(C)Oc1ccccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095690 216216846 /nfs/dbraw/zinc/21/68/46/216216846.db2.gz YQWOIHYOSQOSNW-BHYGNILZSA-N 1 3 288.435 3.033 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(OC(F)F)c1 ZINC000179598749 189206244 /nfs/dbraw/zinc/20/62/44/189206244.db2.gz GCCXGUCJAJVSIK-OCCSQVGLSA-N 1 3 298.377 3.423 20 0 CGADHO Cc1cccc(CC[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000449132219 239196866 /nfs/dbraw/zinc/19/68/66/239196866.db2.gz SUQXFICOCPODIN-GOSISDBHSA-N 1 3 274.452 3.248 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000275344171 193005775 /nfs/dbraw/zinc/00/57/75/193005775.db2.gz PIBOYOXPRLLNAL-SFHVURJKSA-N 1 3 272.436 3.105 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343553 242082138 /nfs/dbraw/zinc/08/21/38/242082138.db2.gz QKUYCLSWGIVDRR-HOJAQTOUSA-N 1 3 298.474 3.454 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343553 242082145 /nfs/dbraw/zinc/08/21/45/242082145.db2.gz QKUYCLSWGIVDRR-HOJAQTOUSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343553 242082148 /nfs/dbraw/zinc/08/21/48/242082148.db2.gz QKUYCLSWGIVDRR-HOJAQTOUSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343553 242082156 /nfs/dbraw/zinc/08/21/56/242082156.db2.gz QKUYCLSWGIVDRR-HOJAQTOUSA-N 1 3 298.474 3.454 20 0 CGADHO CC[NH+](CC)C[C@H](C)Nc1ccnc2cc(OC)ccc21 ZINC000027555852 368872236 /nfs/dbraw/zinc/87/22/36/368872236.db2.gz YUSKOTBTXMVONG-ZDUSSCGKSA-N 1 3 287.407 3.386 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cccc2c1OCO2 ZINC000036167760 369011935 /nfs/dbraw/zinc/01/19/35/369011935.db2.gz LBEJBBOVMWNSRN-AWEZNQCLSA-N 1 3 292.423 3.015 20 0 CGADHO Cc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000037374255 369083439 /nfs/dbraw/zinc/08/34/39/369083439.db2.gz NPFWSNLSSVZYMD-UHFFFAOYSA-N 1 3 281.403 3.149 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000037644371 369095236 /nfs/dbraw/zinc/09/52/36/369095236.db2.gz AVGATAKEBBVTGY-BZOOQXSSSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCSc1ccccc1 ZINC000037904183 369123711 /nfs/dbraw/zinc/12/37/11/369123711.db2.gz ZQDVNFBKQYNNDW-FMKPAKJESA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCSc1ccccc1 ZINC000037904183 369123716 /nfs/dbraw/zinc/12/37/16/369123716.db2.gz ZQDVNFBKQYNNDW-FMKPAKJESA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)CN1CCCCC1 ZINC000037997618 369135722 /nfs/dbraw/zinc/13/57/22/369135722.db2.gz HOVPFHFXYBYSJF-QFBILLFUSA-N 1 3 286.463 3.256 20 0 CGADHO Cc1cc(N[C@H](C)CC[NH+](C)C)c2ccccc2n1 ZINC000049558626 369409385 /nfs/dbraw/zinc/40/93/85/369409385.db2.gz KBKZTEUCMGNRBW-GFCCVEGCSA-N 1 3 257.381 3.295 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc2ccccc21 ZINC000052062075 369463189 /nfs/dbraw/zinc/46/31/89/369463189.db2.gz SLTSULWZJKGSJM-CZUORRHYSA-N 1 3 254.377 3.151 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000129020485 370971980 /nfs/dbraw/zinc/97/19/80/370971980.db2.gz KMUKXEQTEBDDOE-KLHDSHLOSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000128964533 370968536 /nfs/dbraw/zinc/96/85/36/370968536.db2.gz OUDNZHOUANWPKO-KFWWJZLASA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](c1ccccc1F)N(C)CCC1CC[NH2+]CC1 ZINC000062019024 369615185 /nfs/dbraw/zinc/61/51/85/369615185.db2.gz GJGNQEWZQCUOQT-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](CN[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000062077209 369617900 /nfs/dbraw/zinc/61/79/00/369617900.db2.gz YQVKGQFFLCWMHW-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)CN1CCCC1 ZINC000062077209 369617905 /nfs/dbraw/zinc/61/79/05/369617905.db2.gz YQVKGQFFLCWMHW-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CC[C@@H](COC)NCc1ccccc1C[NH+](CC)CC ZINC000079707105 369975473 /nfs/dbraw/zinc/97/54/73/369975473.db2.gz GHWNXHZGXAJPTL-KRWDZBQOSA-N 1 3 278.440 3.043 20 0 CGADHO Cc1ccc2cc(CN3CCCC[C@H]3CC[NH3+])ccc2n1 ZINC000097862641 370256091 /nfs/dbraw/zinc/25/60/91/370256091.db2.gz QJIBSSJCKBBEII-KRWDZBQOSA-N 1 3 283.419 3.247 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512050562 245016270 /nfs/dbraw/zinc/01/62/70/245016270.db2.gz CVYZHASGUJENSQ-UYWPIULCSA-N 1 3 294.389 3.300 20 0 CGADHO CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000512986139 245060755 /nfs/dbraw/zinc/06/07/55/245060755.db2.gz GYSFZVDEUBJKOC-CVEARBPZSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc2ccccc2c1 ZINC000131739343 371126648 /nfs/dbraw/zinc/12/66/48/371126648.db2.gz DOSDGTXNXXVGER-ZFWWWQNUSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000131739343 371126652 /nfs/dbraw/zinc/12/66/52/371126652.db2.gz DOSDGTXNXXVGER-ZFWWWQNUSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000131739343 371126657 /nfs/dbraw/zinc/12/66/57/371126657.db2.gz DOSDGTXNXXVGER-ZFWWWQNUSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@H]([NH2+]C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000151226230 371582974 /nfs/dbraw/zinc/58/29/74/371582974.db2.gz PKHSVWSPIHRKJX-AWEZNQCLSA-N 1 3 276.424 3.220 20 0 CGADHO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000152154301 371678977 /nfs/dbraw/zinc/67/89/77/371678977.db2.gz IJEJMGASQANENU-KGLIPLIRSA-N 1 3 264.413 3.076 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422556698 371748213 /nfs/dbraw/zinc/74/82/13/371748213.db2.gz UJDNNHWVPXVPDV-MRXNPFEDSA-N 1 3 258.409 3.042 20 0 CGADHO CCCOCc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422693245 371756255 /nfs/dbraw/zinc/75/62/55/371756255.db2.gz LOOUJORRJJNWHX-QZTJIDSGSA-N 1 3 290.451 3.363 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422702692 371758558 /nfs/dbraw/zinc/75/85/58/371758558.db2.gz FUXOQVULPYXCLU-RDJZCZTQSA-N 1 3 274.452 3.380 20 0 CGADHO COc1ccccc1C1(CN[C@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000422739185 371777277 /nfs/dbraw/zinc/77/72/77/371777277.db2.gz KTWPFFRIVCCEKS-HUUCEWRRSA-N 1 3 290.451 3.222 20 0 CGADHO COc1ccccc1C1(C[NH2+][C@H](C)C[C@@H](C)N)CCCC1 ZINC000422739185 371777279 /nfs/dbraw/zinc/77/72/79/371777279.db2.gz KTWPFFRIVCCEKS-HUUCEWRRSA-N 1 3 290.451 3.222 20 0 CGADHO Cc1cccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000422743162 371780641 /nfs/dbraw/zinc/78/06/41/371780641.db2.gz ICIVWTCHRQAYBW-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)c1C ZINC000422743162 371780644 /nfs/dbraw/zinc/78/06/44/371780644.db2.gz ICIVWTCHRQAYBW-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422751446 371784173 /nfs/dbraw/zinc/78/41/73/371784173.db2.gz CPMKICKXJZSCBS-WFASDCNBSA-N 1 3 282.428 3.025 20 0 CGADHO Cc1ccc(OCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000422761750 371790100 /nfs/dbraw/zinc/79/01/00/371790100.db2.gz RNOXDNKTMRIGMJ-ZWKOTPCHSA-N 1 3 282.387 3.108 20 0 CGADHO CC(C)OC[C@@H](C)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000337340235 214016130 /nfs/dbraw/zinc/01/61/30/214016130.db2.gz PFQJOKKPPGYPNX-SJORKVTESA-N 1 3 292.467 3.300 20 0 CGADHO CC(C)OC[C@@H](C)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000337340235 214016131 /nfs/dbraw/zinc/01/61/31/214016131.db2.gz PFQJOKKPPGYPNX-SJORKVTESA-N 1 3 292.467 3.300 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@H]1CCCCN1 ZINC000422827971 371831163 /nfs/dbraw/zinc/83/11/63/371831163.db2.gz AHFYZOZGYMNODQ-XKQJLSEDSA-N 1 3 290.476 3.137 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCSCc1ccccc1F ZINC000422773532 371796850 /nfs/dbraw/zinc/79/68/50/371796850.db2.gz UIZCQZHKGUUYDW-CJNGLKHVSA-N 1 3 296.455 3.037 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422773532 371796857 /nfs/dbraw/zinc/79/68/57/371796857.db2.gz UIZCQZHKGUUYDW-CJNGLKHVSA-N 1 3 296.455 3.037 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@H](C)C[C@@H](C)N)cc1 ZINC000422772159 371797503 /nfs/dbraw/zinc/79/75/03/371797503.db2.gz YXTPRHZAPBIPLH-HUUCEWRRSA-N 1 3 262.441 3.458 20 0 CGADHO CC(C)c1ccc(CCCN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422772159 371797507 /nfs/dbraw/zinc/79/75/07/371797507.db2.gz YXTPRHZAPBIPLH-HUUCEWRRSA-N 1 3 262.441 3.458 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422777697 371800566 /nfs/dbraw/zinc/80/05/66/371800566.db2.gz GDCXIWHJQOGDPU-KKXDTOCCSA-N 1 3 288.435 3.050 20 0 CGADHO COc1cccc(F)c1[C@H](C)N[C@H](C)CCCC[NH3+] ZINC000422783464 371806061 /nfs/dbraw/zinc/80/60/61/371806061.db2.gz HNERYWGKHNAEEN-NEPJUHHUSA-N 1 3 268.376 3.002 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)ccc2c1 ZINC000422795415 371813492 /nfs/dbraw/zinc/81/34/92/371813492.db2.gz HOFOLQJIKZIDCE-IFXJQAMLSA-N 1 3 298.430 3.326 20 0 CGADHO Cc1cc(CN[C@H](C)c2ccc(C[NH3+])nc2C)ccc1F ZINC000422799383 371816300 /nfs/dbraw/zinc/81/63/00/371816300.db2.gz WMJHNZRMOMNXTN-GFCCVEGCSA-N 1 3 287.382 3.147 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000422813938 371827400 /nfs/dbraw/zinc/82/74/00/371827400.db2.gz ZELRGKXQVVEYMU-VXGBXAGGSA-N 1 3 289.448 3.192 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422861292 371843327 /nfs/dbraw/zinc/84/33/27/371843327.db2.gz OBEOXOSFVVSMNN-IXEWLPCDSA-N 1 3 270.420 3.327 20 0 CGADHO CSCc1cc(F)ccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422866844 371845062 /nfs/dbraw/zinc/84/50/62/371845062.db2.gz RHFJQQNVBWOFSH-LRDDRELGSA-N 1 3 296.455 3.296 20 0 CGADHO Cc1ccc(OCCCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422864199 371845460 /nfs/dbraw/zinc/84/54/60/371845460.db2.gz UOSVOUDEMCCBNQ-DLBZAZTESA-N 1 3 276.424 3.014 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422944971 371884992 /nfs/dbraw/zinc/88/49/92/371884992.db2.gz MKSVEZOQALNUTD-ZWKOTPCHSA-N 1 3 268.404 3.099 20 0 CGADHO CSc1cc(C)ccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422871206 371846527 /nfs/dbraw/zinc/84/65/27/371846527.db2.gz CSVVYPOAWAOWED-ZFWWWQNUSA-N 1 3 278.465 3.324 20 0 CGADHO CCOc1cccc(CN[C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422885160 371853807 /nfs/dbraw/zinc/85/38/07/371853807.db2.gz YGQRRGPDWLOJCU-CYBMUJFWSA-N 1 3 299.418 3.098 20 0 CGADHO CCCCOc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422891102 371857260 /nfs/dbraw/zinc/85/72/60/371857260.db2.gz JYDMCKQNXBJWMR-WBVHZDCISA-N 1 3 276.424 3.083 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000422912278 371863420 /nfs/dbraw/zinc/86/34/20/371863420.db2.gz VTOBIZOFKPDUHU-BBRMVZONSA-N 1 3 292.854 3.479 20 0 CGADHO COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000422947175 371886256 /nfs/dbraw/zinc/88/62/56/371886256.db2.gz PYJRYPBRKCQYRW-MGPQQGTHSA-N 1 3 296.480 3.139 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000422918395 371869703 /nfs/dbraw/zinc/86/97/03/371869703.db2.gz HKCWPERCBQFMNI-GHMZBOCLSA-N 1 3 286.822 3.472 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422918395 371869708 /nfs/dbraw/zinc/86/97/08/371869708.db2.gz HKCWPERCBQFMNI-GHMZBOCLSA-N 1 3 286.822 3.472 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OC2CCCC2)cc1 ZINC000422948724 371886271 /nfs/dbraw/zinc/88/62/71/371886271.db2.gz SRHFBAHQPLGBCY-ZIAGYGMSSA-N 1 3 276.424 3.223 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932484 371877566 /nfs/dbraw/zinc/87/75/66/371877566.db2.gz FXTOKWBLJHQRTE-QWHCGFSZSA-N 1 3 284.831 3.214 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(Cl)s1 ZINC000422934893 371880165 /nfs/dbraw/zinc/88/01/65/371880165.db2.gz GQKFBDSUNLOVAK-RYUDHWBXSA-N 1 3 272.845 3.194 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940635 371881297 /nfs/dbraw/zinc/88/12/97/371881297.db2.gz HHJROGKIGWKNQI-LSDHHAIUSA-N 1 3 298.377 3.080 20 0 CGADHO Cc1cccc([C@H](N[C@@H](C)C2C[NH2+]C2)C(C)(C)C)c1 ZINC000422841281 371836913 /nfs/dbraw/zinc/83/69/13/371836913.db2.gz VMKYIPZNZJSQKU-BBRMVZONSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1cccc([C@H]([NH2+][C@@H](C)C2CNC2)C(C)(C)C)c1 ZINC000422841281 371836921 /nfs/dbraw/zinc/83/69/21/371836921.db2.gz VMKYIPZNZJSQKU-BBRMVZONSA-N 1 3 260.425 3.280 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2c(F)cccc2F)CCCC1 ZINC000422849109 371839171 /nfs/dbraw/zinc/83/91/71/371839171.db2.gz ULNCXQWSEMKMRJ-OLZOCXBDSA-N 1 3 296.405 3.492 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422849109 371839174 /nfs/dbraw/zinc/83/91/74/371839174.db2.gz ULNCXQWSEMKMRJ-OLZOCXBDSA-N 1 3 296.405 3.492 20 0 CGADHO CSCc1cc(F)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422850364 371840039 /nfs/dbraw/zinc/84/00/39/371840039.db2.gz CZUOZJOMBANSNT-JKSUJKDBSA-N 1 3 296.455 3.438 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422857753 371842234 /nfs/dbraw/zinc/84/22/34/371842234.db2.gz YXUAOSUGAAFDBY-VYDXJSESSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCc2sccc21 ZINC000423052760 371935847 /nfs/dbraw/zinc/93/58/47/371935847.db2.gz RDXINMSBBKBILU-BNOWGMLFSA-N 1 3 264.438 3.103 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423055726 371938171 /nfs/dbraw/zinc/93/81/71/371938171.db2.gz WKEAQKHDBDRXSM-NEPJUHHUSA-N 1 3 270.367 3.003 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)c1ccc(C(F)(F)F)cc1 ZINC000423062922 371942153 /nfs/dbraw/zinc/94/21/53/371942153.db2.gz VFGYQXRVIXUWSQ-MNOVXSKESA-N 1 3 286.341 3.006 20 0 CGADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423062922 371942155 /nfs/dbraw/zinc/94/21/55/371942155.db2.gz VFGYQXRVIXUWSQ-MNOVXSKESA-N 1 3 286.341 3.006 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422966570 371895876 /nfs/dbraw/zinc/89/58/76/371895876.db2.gz NTAWFCVXYFSHKW-VPAKFMSCSA-N 1 3 284.447 3.443 20 0 CGADHO CCOc1cc(Cl)ccc1CN[C@H](C)CCCC[NH3+] ZINC000423002872 371910550 /nfs/dbraw/zinc/91/05/50/371910550.db2.gz KFDNEZGFVRVVJP-GFCCVEGCSA-N 1 3 284.831 3.346 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCSCC(F)(F)F)c2ccccc21 ZINC000423018052 371918785 /nfs/dbraw/zinc/91/87/85/371918785.db2.gz QADCDXFLUQNSMN-RYUDHWBXSA-N 1 3 290.354 3.016 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccccc2Cl)CC1 ZINC000423028996 371924011 /nfs/dbraw/zinc/92/40/11/371924011.db2.gz ULWWXFKBTQSBRG-NEPJUHHUSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423028996 371924017 /nfs/dbraw/zinc/92/40/17/371924017.db2.gz ULWWXFKBTQSBRG-NEPJUHHUSA-N 1 3 266.816 3.087 20 0 CGADHO COCCC1(CN[C@H](C)[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000423067143 371944397 /nfs/dbraw/zinc/94/43/97/371944397.db2.gz YPLFKTKATHHDTG-HZPDHXFCSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423036610 371926331 /nfs/dbraw/zinc/92/63/31/371926331.db2.gz ASOPAYOWCQOIJR-OGHNNQOOSA-N 1 3 276.399 3.477 20 0 CGADHO Cc1ccncc1CCC[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000290200606 371931899 /nfs/dbraw/zinc/93/18/99/371931899.db2.gz CWMAWZOHPXZAJY-KRWDZBQOSA-N 1 3 289.467 3.033 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1cccc(Cl)c1F ZINC000423049286 371933567 /nfs/dbraw/zinc/93/35/67/371933567.db2.gz JVCXOTCUNIGTGI-BXUZGUMPSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1F ZINC000423049286 371933574 /nfs/dbraw/zinc/93/35/74/371933574.db2.gz JVCXOTCUNIGTGI-BXUZGUMPSA-N 1 3 298.833 3.474 20 0 CGADHO Fc1ccccc1[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423092887 371958802 /nfs/dbraw/zinc/95/88/02/371958802.db2.gz DTROLCROSCKROI-AFLMIKJESA-N 1 3 288.410 3.334 20 0 CGADHO c1cc2cc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423098736 371962769 /nfs/dbraw/zinc/96/27/69/371962769.db2.gz LCQNGDCMGIHJBD-UHOSZYNNSA-N 1 3 297.446 3.221 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423098884 371963197 /nfs/dbraw/zinc/96/31/97/371963197.db2.gz SUGJXKIYWXUEGR-DIECFANBSA-N 1 3 276.399 3.179 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423103187 371967364 /nfs/dbraw/zinc/96/73/64/371967364.db2.gz KWVGSHJLCNJTDU-HIFRSBDPSA-N 1 3 291.826 3.012 20 0 CGADHO CC1(c2ccccc2)CC([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423107470 371971139 /nfs/dbraw/zinc/97/11/39/371971139.db2.gz RZFZSBAZNCJAEY-CCGTUFIJSA-N 1 3 272.436 3.214 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423114086 371972847 /nfs/dbraw/zinc/97/28/47/371972847.db2.gz LHEOYFQXHNSKSL-DGCLKSJQSA-N 1 3 297.393 3.325 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122407 371977246 /nfs/dbraw/zinc/97/72/46/371977246.db2.gz KPUSOMDRFRECSP-BDXSIMOUSA-N 1 3 288.435 3.156 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H](C)C3CNC3)CCCC2)c(C)c1 ZINC000423128757 371980980 /nfs/dbraw/zinc/98/09/80/371980980.db2.gz DJXXRTGSJNGBMV-INIZCTEOSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(C2(CN[C@@H](C)C3C[NH2+]C3)CCCC2)c(C)c1 ZINC000423128757 371980986 /nfs/dbraw/zinc/98/09/86/371980986.db2.gz DJXXRTGSJNGBMV-INIZCTEOSA-N 1 3 286.463 3.313 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1ccc(C2CC2)cc1F ZINC000423128539 371981180 /nfs/dbraw/zinc/98/11/80/371981180.db2.gz KWBMSBDXYVUGED-LBPRGKRZSA-N 1 3 264.388 3.310 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]CC[C@@H]1C)CCC2 ZINC000423137668 371987166 /nfs/dbraw/zinc/98/71/66/371987166.db2.gz WTFSYHOGKFIHCK-JCGIZDLHSA-N 1 3 272.436 3.350 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146460 371991193 /nfs/dbraw/zinc/99/11/93/371991193.db2.gz PJQKHDKIGDCAOV-RNJOBUHISA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146460 371991196 /nfs/dbraw/zinc/99/11/96/371991196.db2.gz PJQKHDKIGDCAOV-RNJOBUHISA-N 1 3 266.816 3.301 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCCC1(F)F ZINC000423148311 371991939 /nfs/dbraw/zinc/99/19/39/371991939.db2.gz UYFKEQHSVXDYKG-XQQFMLRXSA-N 1 3 260.372 3.062 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCC[C@H]2C[NH3+])c2ccccc2O1 ZINC000423151844 371993752 /nfs/dbraw/zinc/99/37/52/371993752.db2.gz CZQUQJZOHFUSDD-BFJAYTPKSA-N 1 3 274.408 3.006 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423170264 372000519 /nfs/dbraw/zinc/00/05/19/372000519.db2.gz XQLUIVDJJVJLCI-BPKGMFCQSA-N 1 3 264.457 3.321 20 0 CGADHO Fc1ccc([C@@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423084234 371954622 /nfs/dbraw/zinc/95/46/22/371954622.db2.gz HCUCGHPQJSTGKH-KTALTATCSA-N 1 3 288.410 3.334 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CC[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000423406333 372059717 /nfs/dbraw/zinc/05/97/17/372059717.db2.gz UQWRIOIQGKWJPG-JQFCIGGWSA-N 1 3 258.409 3.034 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@H]2CCNC[C@@H]2C)C2CC2)cc1 ZINC000423406333 372059723 /nfs/dbraw/zinc/05/97/23/372059723.db2.gz UQWRIOIQGKWJPG-JQFCIGGWSA-N 1 3 258.409 3.034 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+]C1CCNCC1)C1CC1 ZINC000423191981 372016456 /nfs/dbraw/zinc/01/64/56/372016456.db2.gz UWVDTQCFFQUCAS-INIZCTEOSA-N 1 3 278.827 3.003 20 0 CGADHO Clc1ccccc1C[C@H](NC1CC[NH2+]CC1)C1CC1 ZINC000423191981 372016461 /nfs/dbraw/zinc/01/64/61/372016461.db2.gz UWVDTQCFFQUCAS-INIZCTEOSA-N 1 3 278.827 3.003 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423193763 372018653 /nfs/dbraw/zinc/01/86/53/372018653.db2.gz WFFGJZRPYKGVHB-SWLSCSKDSA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCC1(c2c(F)cccc2F)CCC1 ZINC000423193763 372018657 /nfs/dbraw/zinc/01/86/57/372018657.db2.gz WFFGJZRPYKGVHB-SWLSCSKDSA-N 1 3 294.389 3.104 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620657 372029779 /nfs/dbraw/zinc/02/97/79/372029779.db2.gz XGKLURMCQHRHJJ-RDTXWAMCSA-N 1 3 283.419 3.007 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620657 372029782 /nfs/dbraw/zinc/02/97/82/372029782.db2.gz XGKLURMCQHRHJJ-RDTXWAMCSA-N 1 3 283.419 3.007 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000423208234 372029842 /nfs/dbraw/zinc/02/98/42/372029842.db2.gz HNHDRJHWBZDEJV-DOTOQJQBSA-N 1 3 292.492 3.393 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000423208234 372029853 /nfs/dbraw/zinc/02/98/53/372029853.db2.gz HNHDRJHWBZDEJV-DOTOQJQBSA-N 1 3 292.492 3.393 20 0 CGADHO C[C@H](C[NH3+])N[C@@H]1CCCc2c3ccccc3sc21 ZINC000423340799 372053903 /nfs/dbraw/zinc/05/39/03/372053903.db2.gz XJZSXFUHXMERNE-ZWNOBZJWSA-N 1 3 260.406 3.216 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCCC1)c1cccs1 ZINC000423175104 372004320 /nfs/dbraw/zinc/00/43/20/372004320.db2.gz CYOWUCATBHJDKC-LBPRGKRZSA-N 1 3 252.427 3.450 20 0 CGADHO [NH3+]CCCN[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423178019 372006637 /nfs/dbraw/zinc/00/66/37/372006637.db2.gz BLNTUCPKMZAKKO-KRWDZBQOSA-N 1 3 272.367 3.048 20 0 CGADHO NCCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423179047 372008548 /nfs/dbraw/zinc/00/85/48/372008548.db2.gz CTTHRKOBQHIGLD-JSGCOSHPSA-N 1 3 286.341 3.280 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000423181658 372010919 /nfs/dbraw/zinc/01/09/19/372010919.db2.gz LIRRCLGFSPEUNJ-VHSXEESVSA-N 1 3 289.345 3.088 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000423503633 372070047 /nfs/dbraw/zinc/07/00/47/372070047.db2.gz FZHBOIZHIIFSLJ-ZSYWTGECSA-N 1 3 284.447 3.300 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000424373321 372085418 /nfs/dbraw/zinc/08/54/18/372085418.db2.gz JNBVTQBVJDOCGG-QLFBSQMISA-N 1 3 264.800 3.187 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160043184 372206268 /nfs/dbraw/zinc/20/62/68/372206268.db2.gz LLDBEDBLOOXQFK-ZLKJLUDKSA-N 1 3 297.240 3.370 20 0 CGADHO CCC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000344303297 217140932 /nfs/dbraw/zinc/14/09/32/217140932.db2.gz SWSUJHVRTJYKGR-KRWDZBQOSA-N 1 3 258.409 3.379 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1nccc2ccccc21 ZINC000293364242 372366054 /nfs/dbraw/zinc/36/60/54/372366054.db2.gz HORQVIZFVOCCIJ-UONOGXRCSA-N 1 3 271.408 3.083 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C)c2C)C1 ZINC000163231152 372455242 /nfs/dbraw/zinc/45/52/42/372455242.db2.gz CHWVYIRYHLASJU-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(C)c2C)C1 ZINC000163231152 372455246 /nfs/dbraw/zinc/45/52/46/372455246.db2.gz CHWVYIRYHLASJU-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(C)c2C)C1 ZINC000163231152 372455249 /nfs/dbraw/zinc/45/52/49/372455249.db2.gz CHWVYIRYHLASJU-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519657 372553193 /nfs/dbraw/zinc/55/31/93/372553193.db2.gz MQJVPCPAUWQIPM-KBMXLJTQSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519657 372553201 /nfs/dbraw/zinc/55/32/01/372553201.db2.gz MQJVPCPAUWQIPM-KBMXLJTQSA-N 1 3 294.414 3.055 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432799785 372574342 /nfs/dbraw/zinc/57/43/42/372574342.db2.gz ZOFNZRBDFFJXPY-ULQDDVLXSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432799785 372574348 /nfs/dbraw/zinc/57/43/48/372574348.db2.gz ZOFNZRBDFFJXPY-ULQDDVLXSA-N 1 3 264.457 3.395 20 0 CGADHO C[NH2+]CCCN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875736 372823825 /nfs/dbraw/zinc/82/38/25/372823825.db2.gz UHMKYWJUSKECLR-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875736 372823832 /nfs/dbraw/zinc/82/38/32/372823832.db2.gz UHMKYWJUSKECLR-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875736 372823844 /nfs/dbraw/zinc/82/38/44/372823844.db2.gz UHMKYWJUSKECLR-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353449710 220090212 /nfs/dbraw/zinc/09/02/12/220090212.db2.gz RONLYFAZRAREQJ-USXIJHARSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353449710 220090213 /nfs/dbraw/zinc/09/02/13/220090213.db2.gz RONLYFAZRAREQJ-USXIJHARSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353449710 220090215 /nfs/dbraw/zinc/09/02/15/220090215.db2.gz RONLYFAZRAREQJ-USXIJHARSA-N 1 3 276.399 3.097 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000442780558 373078531 /nfs/dbraw/zinc/07/85/31/373078531.db2.gz NZRLJYCHADGVRR-HOTGVXAUSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780558 373078533 /nfs/dbraw/zinc/07/85/33/373078533.db2.gz NZRLJYCHADGVRR-HOTGVXAUSA-N 1 3 282.431 3.442 20 0 CGADHO Cc1cnccc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000296325300 373091705 /nfs/dbraw/zinc/09/17/05/373091705.db2.gz HIFCPZIAIAZPNT-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1cnccc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000296325300 373091718 /nfs/dbraw/zinc/09/17/18/373091718.db2.gz HIFCPZIAIAZPNT-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCc1ccc2ccccc2c1 ZINC000442759986 373071873 /nfs/dbraw/zinc/07/18/73/373071873.db2.gz MMTBBPCMXAAPBK-ZBFHGGJFSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCc1ccc2ccccc2c1 ZINC000442759986 373071880 /nfs/dbraw/zinc/07/18/80/373071880.db2.gz MMTBBPCMXAAPBK-ZBFHGGJFSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1ccc2ccccc2c1 ZINC000442759986 373071886 /nfs/dbraw/zinc/07/18/86/373071886.db2.gz MMTBBPCMXAAPBK-ZBFHGGJFSA-N 1 3 268.404 3.051 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000173363570 373131083 /nfs/dbraw/zinc/13/10/83/373131083.db2.gz RCPBMJNOLQNNRD-DOMZBBRYSA-N 1 3 298.377 3.108 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2cccc3cccnc32)[C@H](C)C1 ZINC000173363195 373131592 /nfs/dbraw/zinc/13/15/92/373131592.db2.gz SIQNWLJEWSGOQF-RHSMWYFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2cccc3cccnc32)[C@H](C)C1 ZINC000173363195 373131595 /nfs/dbraw/zinc/13/15/95/373131595.db2.gz SIQNWLJEWSGOQF-RHSMWYFYSA-N 1 3 283.419 3.055 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000445255204 373305842 /nfs/dbraw/zinc/30/58/42/373305842.db2.gz SEKCRFJCIPCENC-HNNXBMFYSA-N 1 3 280.431 3.420 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000445255204 373305849 /nfs/dbraw/zinc/30/58/49/373305849.db2.gz SEKCRFJCIPCENC-HNNXBMFYSA-N 1 3 280.431 3.420 20 0 CGADHO CCSc1ccc([C@@H](C)NCCOCC[NH+](C)C)cc1 ZINC000447593998 373460933 /nfs/dbraw/zinc/46/09/33/373460933.db2.gz WFTUGHWAMVHOQX-CQSZACIVSA-N 1 3 296.480 3.027 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000300078578 373618088 /nfs/dbraw/zinc/61/80/88/373618088.db2.gz MBLWCMUHBLLFKB-QMCVQRASSA-N 1 3 262.441 3.195 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000178427162 373776054 /nfs/dbraw/zinc/77/60/54/373776054.db2.gz VGLGASVXXCNEOW-XYJFISCASA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccn1 ZINC000302355347 373856311 /nfs/dbraw/zinc/85/63/11/373856311.db2.gz YZWZPFJNTNEYSJ-ZIAGYGMSSA-N 1 3 261.413 3.170 20 0 CGADHO COc1ccc([C@@H](NCCC[NH+]2CCCC2)C(C)C)cc1 ZINC000179981199 373950176 /nfs/dbraw/zinc/95/01/76/373950176.db2.gz VPBXNTOXWNODKC-SFHVURJKSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc([C@@H]([NH2+]CCCN2CCCC2)C(C)C)cc1 ZINC000179981199 373950187 /nfs/dbraw/zinc/95/01/87/373950187.db2.gz VPBXNTOXWNODKC-SFHVURJKSA-N 1 3 290.451 3.468 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](c1ccccc1)C1CC1 ZINC000179687966 373905374 /nfs/dbraw/zinc/90/53/74/373905374.db2.gz NMTPTTZAMPFQLN-IRXDYDNUSA-N 1 3 258.409 3.212 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN[C@@H](c1ccccc1)C1CC1 ZINC000179687966 373905377 /nfs/dbraw/zinc/90/53/77/373905377.db2.gz NMTPTTZAMPFQLN-IRXDYDNUSA-N 1 3 258.409 3.212 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179687966 373905380 /nfs/dbraw/zinc/90/53/80/373905380.db2.gz NMTPTTZAMPFQLN-IRXDYDNUSA-N 1 3 258.409 3.212 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448769 374135085 /nfs/dbraw/zinc/13/50/85/374135085.db2.gz DKZXDDGUTJWBQV-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448769 374135090 /nfs/dbraw/zinc/13/50/90/374135090.db2.gz DKZXDDGUTJWBQV-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448769 374135100 /nfs/dbraw/zinc/13/51/00/374135100.db2.gz DKZXDDGUTJWBQV-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000182028074 374207804 /nfs/dbraw/zinc/20/78/04/374207804.db2.gz GUVHWQSNDRLVHW-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccc(CCC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000182028074 374207811 /nfs/dbraw/zinc/20/78/11/374207811.db2.gz GUVHWQSNDRLVHW-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461599 541921117 /nfs/dbraw/zinc/92/11/17/541921117.db2.gz VLKYVGMACWXQOG-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461599 541921122 /nfs/dbraw/zinc/92/11/22/541921122.db2.gz VLKYVGMACWXQOG-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000331378580 374527083 /nfs/dbraw/zinc/52/70/83/374527083.db2.gz LYJPJGPFCGGUSZ-FPMFFAJLSA-N 1 3 262.397 3.010 20 0 CGADHO CCCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185667217 374710084 /nfs/dbraw/zinc/71/00/84/374710084.db2.gz WJJCENQAWDKNKS-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000459496448 374809514 /nfs/dbraw/zinc/80/95/14/374809514.db2.gz XNGFPFKOSUMNNJ-HNAYVOBHSA-N 1 3 284.447 3.264 20 0 CGADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000459496448 374809515 /nfs/dbraw/zinc/80/95/15/374809515.db2.gz XNGFPFKOSUMNNJ-HNAYVOBHSA-N 1 3 284.447 3.264 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCC23CCCC3)cc2c1CNC2 ZINC000335056934 375095598 /nfs/dbraw/zinc/09/55/98/375095598.db2.gz BVUFMXCONDVDTJ-MRXNPFEDSA-N 1 3 256.393 3.102 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187964858 375127419 /nfs/dbraw/zinc/12/74/19/375127419.db2.gz QEDCEWSAYTUCHE-JKSUJKDBSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187964858 375127424 /nfs/dbraw/zinc/12/74/24/375127424.db2.gz QEDCEWSAYTUCHE-JKSUJKDBSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187964858 375127431 /nfs/dbraw/zinc/12/74/31/375127431.db2.gz QEDCEWSAYTUCHE-JKSUJKDBSA-N 1 3 292.442 3.467 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H]1C ZINC000481992650 375167242 /nfs/dbraw/zinc/16/72/42/375167242.db2.gz RGQWZBRFWFKTCH-WRQOLXDDSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)c1ncc(CN2CCC3(CC[NH2+]C3)CC2)s1 ZINC000335231147 375248009 /nfs/dbraw/zinc/24/80/09/375248009.db2.gz YQROQQXNNBTLLK-UHFFFAOYSA-N 1 3 293.480 3.016 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CS1 ZINC000488437977 375308708 /nfs/dbraw/zinc/30/87/08/375308708.db2.gz LREYCRLTXIVETQ-JYJNAYRXSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000488437977 375308716 /nfs/dbraw/zinc/30/87/16/375308716.db2.gz LREYCRLTXIVETQ-JYJNAYRXSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000488437977 375308721 /nfs/dbraw/zinc/30/87/21/375308721.db2.gz LREYCRLTXIVETQ-JYJNAYRXSA-N 1 3 284.513 3.371 20 0 CGADHO Clc1cccc2c1OCCC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000335499159 375323649 /nfs/dbraw/zinc/32/36/49/375323649.db2.gz AUACJJLAXYWESH-HNNXBMFYSA-N 1 3 292.810 3.063 20 0 CGADHO Cc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc2cccnc12 ZINC000335756519 375403213 /nfs/dbraw/zinc/40/32/13/375403213.db2.gz QMOWHXJFHMNFSB-PBHICJAKSA-N 1 3 283.419 3.102 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CC=CC2)CC1 ZINC000122112867 542022544 /nfs/dbraw/zinc/02/25/44/542022544.db2.gz OJKOWFSIFMSARL-WMLDXEAASA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CC=CC2)CC1 ZINC000122112867 542022548 /nfs/dbraw/zinc/02/25/48/542022548.db2.gz OJKOWFSIFMSARL-WMLDXEAASA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H]([N@H+](C)Cc1cccc2c1CCNC2)C(C)(C)C ZINC000123944242 542029357 /nfs/dbraw/zinc/02/93/57/542029357.db2.gz AGVGPDJRVDJYIL-ZDUSSCGKSA-N 1 3 260.425 3.199 20 0 CGADHO C[C@H]([N@@H+](C)Cc1cccc2c1CCNC2)C(C)(C)C ZINC000123944242 542029362 /nfs/dbraw/zinc/02/93/62/542029362.db2.gz AGVGPDJRVDJYIL-ZDUSSCGKSA-N 1 3 260.425 3.199 20 0 CGADHO CCN(Cc1cccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000123925248 542030174 /nfs/dbraw/zinc/03/01/74/542030174.db2.gz AZNVJCJKFDEWET-UHFFFAOYSA-N 1 3 286.444 3.416 20 0 CGADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000507523282 375711971 /nfs/dbraw/zinc/71/19/71/375711971.db2.gz IJHHARMBTRZRJT-YLFCFFPRSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)c2ccccc21 ZINC000336812536 375965164 /nfs/dbraw/zinc/96/51/64/375965164.db2.gz RQINNUNVCQBIOV-RHSMWYFYSA-N 1 3 258.409 3.310 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C(C)(C)C ZINC000162582639 321885251 /nfs/dbraw/zinc/88/52/51/321885251.db2.gz UYXPMVHRQTYLKF-AWEZNQCLSA-N 1 3 278.440 3.151 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(Cc2cccs2)CC1 ZINC000535083211 376024423 /nfs/dbraw/zinc/02/44/23/376024423.db2.gz NMKWHCMHVMSWSO-UHFFFAOYSA-N 1 3 266.454 3.300 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccs2)CC1 ZINC000535083211 376024431 /nfs/dbraw/zinc/02/44/31/376024431.db2.gz NMKWHCMHVMSWSO-UHFFFAOYSA-N 1 3 266.454 3.300 20 0 CGADHO C[C@@H](c1ccccc1F)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198078 296239358 /nfs/dbraw/zinc/23/93/58/296239358.db2.gz FRTOLZLHPUAZAH-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696062 376122872 /nfs/dbraw/zinc/12/28/72/376122872.db2.gz QKUYCLSWGIVDRR-DFQSSKMNSA-N 1 3 298.474 3.454 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696062 376122878 /nfs/dbraw/zinc/12/28/78/376122878.db2.gz QKUYCLSWGIVDRR-DFQSSKMNSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696062 376122887 /nfs/dbraw/zinc/12/28/87/376122887.db2.gz QKUYCLSWGIVDRR-DFQSSKMNSA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000536696062 376122896 /nfs/dbraw/zinc/12/28/96/376122896.db2.gz QKUYCLSWGIVDRR-DFQSSKMNSA-N 1 3 298.474 3.454 20 0 CGADHO CC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000222264344 376233065 /nfs/dbraw/zinc/23/30/65/376233065.db2.gz UAXCSPUKPMZAEY-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222953658 376244263 /nfs/dbraw/zinc/24/42/63/376244263.db2.gz QXYWRHIFFAOJQS-IPYPFGDCSA-N 1 3 276.424 3.461 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000337998561 376251737 /nfs/dbraw/zinc/25/17/37/376251737.db2.gz VHJPXHONXXYBJJ-DJIMGWMZSA-N 1 3 264.457 3.275 20 0 CGADHO FC1(F)CCC[C@H](CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000338319778 376332359 /nfs/dbraw/zinc/33/23/59/376332359.db2.gz RRZDYEUGOWNIOR-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000338319778 376332363 /nfs/dbraw/zinc/33/23/63/376332363.db2.gz RRZDYEUGOWNIOR-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000338319778 376332364 /nfs/dbraw/zinc/33/23/64/376332364.db2.gz RRZDYEUGOWNIOR-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)s1 ZINC000539896291 376345704 /nfs/dbraw/zinc/34/57/04/376345704.db2.gz KVPSQOWHKAKIMK-CJNGLKHVSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)s1 ZINC000539896291 376345708 /nfs/dbraw/zinc/34/57/08/376345708.db2.gz KVPSQOWHKAKIMK-CJNGLKHVSA-N 1 3 278.465 3.227 20 0 CGADHO CCN(CC)CCC[N@H+](CC)CCc1cccs1 ZINC000338229801 376289808 /nfs/dbraw/zinc/28/98/08/376289808.db2.gz BSLOQVWCSCWJQB-UHFFFAOYSA-N 1 3 268.470 3.344 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)CCc1cccs1 ZINC000338229801 376289815 /nfs/dbraw/zinc/28/98/15/376289815.db2.gz BSLOQVWCSCWJQB-UHFFFAOYSA-N 1 3 268.470 3.344 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540151289 376359489 /nfs/dbraw/zinc/35/94/89/376359489.db2.gz MLFWKMKUKBWENM-HOCLYGCPSA-N 1 3 252.446 3.133 20 0 CGADHO c1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000228046303 376425378 /nfs/dbraw/zinc/42/53/78/376425378.db2.gz HUPDLWDNPKVMDY-KGLIPLIRSA-N 1 3 267.376 3.274 20 0 CGADHO c1ccc2c(c1)nccc2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000228046303 376425380 /nfs/dbraw/zinc/42/53/80/376425380.db2.gz HUPDLWDNPKVMDY-KGLIPLIRSA-N 1 3 267.376 3.274 20 0 CGADHO C[C@@H]([NH2+]C1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541599741 376466202 /nfs/dbraw/zinc/46/62/02/376466202.db2.gz OWRLHYBVVFNCHZ-ZIAGYGMSSA-N 1 3 250.430 3.172 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)[C@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093560 376604071 /nfs/dbraw/zinc/60/40/71/376604071.db2.gz MGKFFKZPTIBJRY-FMKPAKJESA-N 1 3 280.481 3.484 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)[C@H](C)Cc2ccsc2)C[C@H]1C ZINC000543093560 376604084 /nfs/dbraw/zinc/60/40/84/376604084.db2.gz MGKFFKZPTIBJRY-FMKPAKJESA-N 1 3 280.481 3.484 20 0 CGADHO Cc1cc(C)c(CN(C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000234306004 376614196 /nfs/dbraw/zinc/61/41/96/376614196.db2.gz FQSQKFNDZJRAIP-QGZVFWFLSA-N 1 3 260.425 3.186 20 0 CGADHO C[C@H](NCCCC[NH3+])c1cc(Cl)sc1Cl ZINC000235513207 376643636 /nfs/dbraw/zinc/64/36/36/376643636.db2.gz BCVIUHPWDYMCFW-ZETCQYMHSA-N 1 3 267.225 3.444 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCOCC1 ZINC000544373240 376726744 /nfs/dbraw/zinc/72/67/44/376726744.db2.gz LFASDIHNWPXOKD-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000339182071 376730263 /nfs/dbraw/zinc/73/02/63/376730263.db2.gz QDXSUXHRLUQBTC-CYBMUJFWSA-N 1 3 278.827 3.222 20 0 CGADHO CC(C)(C)c1n[nH]cc1CNCCCCC[NH+]1CCCC1 ZINC000339503815 376761493 /nfs/dbraw/zinc/76/14/93/376761493.db2.gz HDTPEKKYZXJXOT-UHFFFAOYSA-N 1 3 292.471 3.063 20 0 CGADHO C[C@@H](CCN1CCC(C)(C)C1)[N@@H+]1CCC(C)(C)C1 ZINC000153633529 542112330 /nfs/dbraw/zinc/11/23/30/542112330.db2.gz IMKIAEJRFRDXEN-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CCN1CCC(C)(C)C1)[N@H+]1CCC(C)(C)C1 ZINC000153633529 542112332 /nfs/dbraw/zinc/11/23/32/542112332.db2.gz IMKIAEJRFRDXEN-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@@H+]1CCC(C)(C)C1)N1CCC(C)(C)C1 ZINC000153633529 542112337 /nfs/dbraw/zinc/11/23/37/542112337.db2.gz IMKIAEJRFRDXEN-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@H+]1CCC(C)(C)C1)N1CCC(C)(C)C1 ZINC000153633529 542112342 /nfs/dbraw/zinc/11/23/42/542112342.db2.gz IMKIAEJRFRDXEN-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868114 377107350 /nfs/dbraw/zinc/10/73/50/377107350.db2.gz DHOFBBYUNCNUCH-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868114 377107356 /nfs/dbraw/zinc/10/73/56/377107356.db2.gz DHOFBBYUNCNUCH-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868114 377107362 /nfs/dbraw/zinc/10/73/62/377107362.db2.gz DHOFBBYUNCNUCH-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000247141067 377167407 /nfs/dbraw/zinc/16/74/07/377167407.db2.gz QXLNAJPHKDMFMR-VBNZEHGJSA-N 1 3 264.388 3.349 20 0 CGADHO C[C@@H]1C[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000560883484 377197711 /nfs/dbraw/zinc/19/77/11/377197711.db2.gz JXLYDUQWOVPYGB-KGLIPLIRSA-N 1 3 250.430 3.029 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554682 377170316 /nfs/dbraw/zinc/17/03/16/377170316.db2.gz HUEIMNBVAITKMW-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000560554682 377170321 /nfs/dbraw/zinc/17/03/21/377170321.db2.gz HUEIMNBVAITKMW-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000247207660 377178157 /nfs/dbraw/zinc/17/81/57/377178157.db2.gz WSVWWARSUADMEW-SOUVJXGZSA-N 1 3 252.446 3.133 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000248544597 377342808 /nfs/dbraw/zinc/34/28/08/377342808.db2.gz DQXYBJSAVXWJQQ-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000090721557 249029977 /nfs/dbraw/zinc/02/99/77/249029977.db2.gz ZVGTZUQHRRNZMQ-RDTXWAMCSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721557 249029979 /nfs/dbraw/zinc/02/99/79/249029979.db2.gz ZVGTZUQHRRNZMQ-RDTXWAMCSA-N 1 3 268.404 3.412 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000037644376 249002909 /nfs/dbraw/zinc/00/29/09/249002909.db2.gz TVUMKXWCONIDAS-NFOMZHRRSA-N 1 3 276.399 3.003 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000037644376 249002911 /nfs/dbraw/zinc/00/29/11/249002911.db2.gz TVUMKXWCONIDAS-NFOMZHRRSA-N 1 3 276.399 3.003 20 0 CGADHO CC[N@H+]1CC[C@@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000037644376 249002913 /nfs/dbraw/zinc/00/29/13/249002913.db2.gz TVUMKXWCONIDAS-NFOMZHRRSA-N 1 3 276.399 3.003 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166456240 542174491 /nfs/dbraw/zinc/17/44/91/542174491.db2.gz ABMZXRGWZYTHMC-DLBZAZTESA-N 1 3 284.447 3.243 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166456240 542174495 /nfs/dbraw/zinc/17/44/95/542174495.db2.gz ABMZXRGWZYTHMC-DLBZAZTESA-N 1 3 284.447 3.243 20 0 CGADHO CC[N@H+](Cc1ccc2ccccc2c1)CC(C)(C)N ZINC000469871038 249161186 /nfs/dbraw/zinc/16/11/86/249161186.db2.gz FCCQRWOOOXVFFO-UHFFFAOYSA-N 1 3 256.393 3.399 20 0 CGADHO CC[N@@H+](Cc1ccc2ccccc2c1)CC(C)(C)N ZINC000469871038 249161187 /nfs/dbraw/zinc/16/11/87/249161187.db2.gz FCCQRWOOOXVFFO-UHFFFAOYSA-N 1 3 256.393 3.399 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250247881 377557601 /nfs/dbraw/zinc/55/76/01/377557601.db2.gz LQMFGGIQXAEZLK-GVDBMIGSSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251006687 377571010 /nfs/dbraw/zinc/57/10/10/377571010.db2.gz RYSGSTDNTHPRIG-IVMMDQJWSA-N 1 3 280.843 3.378 20 0 CGADHO c1ccc([C@H](CC2CC2)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000514854733 249191636 /nfs/dbraw/zinc/19/16/36/249191636.db2.gz GQQPSRFFCDALSD-WBVHZDCISA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc([C@H](CC2CC2)[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000514854733 249191639 /nfs/dbraw/zinc/19/16/39/249191639.db2.gz GQQPSRFFCDALSD-WBVHZDCISA-N 1 3 258.409 3.117 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC2CCCC2)C1 ZINC000516685569 249241209 /nfs/dbraw/zinc/24/12/09/249241209.db2.gz ANBVNOQKIWPTLR-HOCLYGCPSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(CC[NH2+][C@H]2CCC[C@@H](N)C2)ccc1Cl ZINC000516193928 249227914 /nfs/dbraw/zinc/22/79/14/249227914.db2.gz SYFSSCXZBOUGBC-KGLIPLIRSA-N 1 3 266.816 3.050 20 0 CGADHO Cc1cc(CCN[C@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000516193928 249227915 /nfs/dbraw/zinc/22/79/15/249227915.db2.gz SYFSSCXZBOUGBC-KGLIPLIRSA-N 1 3 266.816 3.050 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000516340741 249232099 /nfs/dbraw/zinc/23/20/99/249232099.db2.gz VDZUMLVGVZCLKD-WFASDCNBSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000516340741 249232102 /nfs/dbraw/zinc/23/21/02/249232102.db2.gz VDZUMLVGVZCLKD-WFASDCNBSA-N 1 3 283.419 3.168 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000251609982 377591329 /nfs/dbraw/zinc/59/13/29/377591329.db2.gz CZKHMNNQUGZHSU-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000251609982 377591334 /nfs/dbraw/zinc/59/13/34/377591334.db2.gz CZKHMNNQUGZHSU-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251609982 377591343 /nfs/dbraw/zinc/59/13/43/377591343.db2.gz CZKHMNNQUGZHSU-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C[NH3+])cc1)CCC2 ZINC000574040202 377612217 /nfs/dbraw/zinc/61/22/17/377612217.db2.gz AYKCMCPGOMWEBD-AWEZNQCLSA-N 1 3 287.432 3.077 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000181481745 542218298 /nfs/dbraw/zinc/21/82/98/542218298.db2.gz BBAMROBYKPPTEF-YOEHRIQHSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862732 377667047 /nfs/dbraw/zinc/66/70/47/377667047.db2.gz OGHFEZMYAMOYSY-XTBFLFJDSA-N 1 3 278.827 3.460 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000575195754 377761329 /nfs/dbraw/zinc/76/13/29/377761329.db2.gz UIBZJZHGZSYHNR-STQMWFEESA-N 1 3 296.817 3.370 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000261577882 377820441 /nfs/dbraw/zinc/82/04/41/377820441.db2.gz CXMFFJXPPMUTTJ-IACUBPJLSA-N 1 3 278.465 3.215 20 0 CGADHO Cc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1F ZINC000261605065 377826186 /nfs/dbraw/zinc/82/61/86/377826186.db2.gz BAOMCOSQASLUJQ-MSOLQXFVSA-N 1 3 298.405 3.308 20 0 CGADHO CC[C@@H](c1ccccc1)N(CC)C[C@@]1(C)CC[NH2+]C1 ZINC000261995791 377878350 /nfs/dbraw/zinc/87/83/50/377878350.db2.gz KSMSPKLZROGWMM-IRXDYDNUSA-N 1 3 260.425 3.459 20 0 CGADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261817914 377857124 /nfs/dbraw/zinc/85/71/24/377857124.db2.gz AMSRDGYLARYVAL-FGTMMUONSA-N 1 3 295.430 3.245 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000578206349 378047679 /nfs/dbraw/zinc/04/76/79/378047679.db2.gz PSPRMZKKKRPFAP-JONQDZQNSA-N 1 3 258.409 3.101 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000578206349 378047686 /nfs/dbraw/zinc/04/76/86/378047686.db2.gz PSPRMZKKKRPFAP-JONQDZQNSA-N 1 3 258.409 3.101 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCSc2ccccc2)C1 ZINC000578453115 378071581 /nfs/dbraw/zinc/07/15/81/378071581.db2.gz GVEMGZCIXRQOHJ-ZIAGYGMSSA-N 1 3 264.438 3.028 20 0 CGADHO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944463 378115356 /nfs/dbraw/zinc/11/53/56/378115356.db2.gz CSQPQOXAJMRQFC-ZIAGYGMSSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000578944463 378115361 /nfs/dbraw/zinc/11/53/61/378115361.db2.gz CSQPQOXAJMRQFC-ZIAGYGMSSA-N 1 3 281.403 3.002 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000578939643 378115872 /nfs/dbraw/zinc/11/58/72/378115872.db2.gz JCDIMJTVARTQFB-HZPDHXFCSA-N 1 3 254.462 3.379 20 0 CGADHO COc1cncc(C[N@@H+]2CCC(c3ccccc3)C2C)c1 ZINC000343799499 378097107 /nfs/dbraw/zinc/09/71/07/378097107.db2.gz BAIUFGWTWVGSGE-KBXCAEBGSA-N 1 3 282.387 3.468 20 0 CGADHO COc1cncc(C[N@H+]2CCC(c3ccccc3)C2C)c1 ZINC000343799499 378097114 /nfs/dbraw/zinc/09/71/14/378097114.db2.gz BAIUFGWTWVGSGE-KBXCAEBGSA-N 1 3 282.387 3.468 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)COC2 ZINC000269079173 378185575 /nfs/dbraw/zinc/18/55/75/378185575.db2.gz NZZMJSFRZVIYOE-VHSSKADRSA-N 1 3 288.435 3.240 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2SC)[C@H](C)C1 ZINC000345167642 378210352 /nfs/dbraw/zinc/21/03/52/378210352.db2.gz RXZVONBGYBCLJL-IUODEOHRSA-N 1 3 296.455 3.368 20 0 CGADHO C[C@@H](N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000580062898 378220932 /nfs/dbraw/zinc/22/09/32/378220932.db2.gz ZLIFWPAPHHBSJU-CTWCOEIASA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CCCNC1 ZINC000580062898 378220935 /nfs/dbraw/zinc/22/09/35/378220935.db2.gz ZLIFWPAPHHBSJU-CTWCOEIASA-N 1 3 294.389 3.189 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cccnc1Cl ZINC000268945897 378159369 /nfs/dbraw/zinc/15/93/69/378159369.db2.gz WMNBQNWOABASSE-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2cccc(F)c2)C1 ZINC000580766592 378256824 /nfs/dbraw/zinc/25/68/24/378256824.db2.gz MAYBTOHTMBYDOV-DOTOQJQBSA-N 1 3 292.442 3.467 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000582311292 378303936 /nfs/dbraw/zinc/30/39/36/378303936.db2.gz ILQZGKSERVYKOC-OZVIIMIRSA-N 1 3 280.362 3.202 20 0 CGADHO NC1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CCCCC1 ZINC000582347979 378306012 /nfs/dbraw/zinc/30/60/12/378306012.db2.gz PWOLOBSIXBAEMW-UHFFFAOYSA-N 1 3 295.430 3.500 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000582421201 378312323 /nfs/dbraw/zinc/31/23/23/378312323.db2.gz DXEZAHOPXWVXRJ-KRWDZBQOSA-N 1 3 270.351 3.062 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1C ZINC000584080671 378373506 /nfs/dbraw/zinc/37/35/06/378373506.db2.gz NBQRGBUOFFSWFI-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1C ZINC000584080671 378373514 /nfs/dbraw/zinc/37/35/14/378373514.db2.gz NBQRGBUOFFSWFI-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000584080671 378373518 /nfs/dbraw/zinc/37/35/18/378373518.db2.gz NBQRGBUOFFSWFI-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000584080671 378373523 /nfs/dbraw/zinc/37/35/23/378373523.db2.gz NBQRGBUOFFSWFI-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)[C@@H]2CCCO2)c1 ZINC000346493089 378595527 /nfs/dbraw/zinc/59/55/27/378595527.db2.gz PJXWXXFTIZBXAT-YJBOKZPZSA-N 1 3 290.451 3.186 20 0 CGADHO Cc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667851 378669367 /nfs/dbraw/zinc/66/93/67/378669367.db2.gz ZEIRGFXZKTZPIC-JSGCOSHPSA-N 1 3 298.377 3.074 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cccnc1Cl ZINC000272625490 378679653 /nfs/dbraw/zinc/67/96/53/378679653.db2.gz ZCSDZTWZCCQGTA-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO Fc1cccc(CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346843110 218032999 /nfs/dbraw/zinc/03/29/99/218032999.db2.gz WYWLTNXNKUYGPE-KRWDZBQOSA-N 1 3 290.426 3.080 20 0 CGADHO Fc1cccc(CC2CC[NH+](C[C@H]3CCCNC3)CC2)c1 ZINC000346843110 218033002 /nfs/dbraw/zinc/03/30/02/218033002.db2.gz WYWLTNXNKUYGPE-KRWDZBQOSA-N 1 3 290.426 3.080 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346836823 218031112 /nfs/dbraw/zinc/03/11/12/218031112.db2.gz VRJZBSHRQKDIEE-CGTJXYLNSA-N 1 3 288.435 3.035 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000348315839 378903534 /nfs/dbraw/zinc/90/35/34/378903534.db2.gz IGJTUMPZSIDZBI-CWRNSKLLSA-N 1 3 294.414 3.168 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241378 378952193 /nfs/dbraw/zinc/95/21/93/378952193.db2.gz GWRUZEOGPRHITI-IUODEOHRSA-N 1 3 298.377 3.060 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241378 378952199 /nfs/dbraw/zinc/95/21/99/378952199.db2.gz GWRUZEOGPRHITI-IUODEOHRSA-N 1 3 298.377 3.060 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000276831302 379004653 /nfs/dbraw/zinc/00/46/53/379004653.db2.gz BMBQLBIYMPUAHC-IRXDYDNUSA-N 1 3 292.492 3.368 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCCc2cccc(F)c2)CC1 ZINC000277331863 379133466 /nfs/dbraw/zinc/13/34/66/379133466.db2.gz VQKIHTBQKOXZJU-QGZVFWFLSA-N 1 3 278.415 3.174 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)CC1 ZINC000277331863 379133474 /nfs/dbraw/zinc/13/34/74/379133474.db2.gz VQKIHTBQKOXZJU-QGZVFWFLSA-N 1 3 278.415 3.174 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCc2cccc(F)c2)CC1 ZINC000277331863 379133481 /nfs/dbraw/zinc/13/34/81/379133481.db2.gz VQKIHTBQKOXZJU-QGZVFWFLSA-N 1 3 278.415 3.174 20 0 CGADHO COC1(C[C@@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CCC1 ZINC000277394944 379148846 /nfs/dbraw/zinc/14/88/46/379148846.db2.gz ZDODNVBBSLCSQF-OAHLLOKOSA-N 1 3 290.451 3.186 20 0 CGADHO Cc1cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000278768542 194146857 /nfs/dbraw/zinc/14/68/57/194146857.db2.gz OEEMQQRCXHLAJN-IAGOWNOFSA-N 1 3 267.376 3.247 20 0 CGADHO Cc1cccc(CN2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277639600 379205927 /nfs/dbraw/zinc/20/59/27/379205927.db2.gz YHPIXPJLVVOIJP-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C[N@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000277639600 379205931 /nfs/dbraw/zinc/20/59/31/379205931.db2.gz YHPIXPJLVVOIJP-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000277639600 379205933 /nfs/dbraw/zinc/20/59/33/379205933.db2.gz YHPIXPJLVVOIJP-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000278433577 379384753 /nfs/dbraw/zinc/38/47/53/379384753.db2.gz SHUFZVOGCGJVQM-AWEZNQCLSA-N 1 3 293.430 3.273 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000278433577 379384762 /nfs/dbraw/zinc/38/47/62/379384762.db2.gz SHUFZVOGCGJVQM-AWEZNQCLSA-N 1 3 293.430 3.273 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000278437321 379386417 /nfs/dbraw/zinc/38/64/17/379386417.db2.gz TUINFHNHAWPJLT-CQSZACIVSA-N 1 3 293.430 3.131 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000278437321 379386426 /nfs/dbraw/zinc/38/64/26/379386426.db2.gz TUINFHNHAWPJLT-CQSZACIVSA-N 1 3 293.430 3.131 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000279705637 379495346 /nfs/dbraw/zinc/49/53/46/379495346.db2.gz JXRDYZFOXYLNQY-RYRKJORJSA-N 1 3 290.451 3.084 20 0 CGADHO C[C@H](CC[NH2+]C1CCC2(CCCO2)CC1)N1CCCCC1 ZINC000376417407 379552976 /nfs/dbraw/zinc/55/29/76/379552976.db2.gz ZCFWJLJOAMGQIQ-WWDZGPRUSA-N 1 3 294.483 3.332 20 0 CGADHO c1cncc([C@@H](NC2CC[NH+](C3CC3)CC2)C2CCC2)c1 ZINC000280269895 379661472 /nfs/dbraw/zinc/66/14/72/379661472.db2.gz KSTALBIEACWIRJ-SFHVURJKSA-N 1 3 285.435 3.139 20 0 CGADHO Cc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1C ZINC000351496272 379724423 /nfs/dbraw/zinc/72/44/23/379724423.db2.gz SWORAVRMWMQJRP-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO Cc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1C ZINC000351496272 379724428 /nfs/dbraw/zinc/72/44/28/379724428.db2.gz SWORAVRMWMQJRP-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282189672 379870413 /nfs/dbraw/zinc/87/04/13/379870413.db2.gz NGAGKYWTWZLNPL-RBUKOAKNSA-N 1 3 298.474 3.473 20 0 CGADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000282121580 379858649 /nfs/dbraw/zinc/85/86/49/379858649.db2.gz JOBJRTICUDGOBY-MSOLQXFVSA-N 1 3 290.451 3.043 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282331680 379898926 /nfs/dbraw/zinc/89/89/26/379898926.db2.gz OFFFMJWJENETES-QLFBSQMISA-N 1 3 297.446 3.098 20 0 CGADHO C[C@@H]1CC[C@@H](NC2CCC(c3ccccc3)CC2)C[NH2+]1 ZINC000399051982 379935167 /nfs/dbraw/zinc/93/51/67/379935167.db2.gz VTPQPIIVDCOTNZ-AGERRDQYSA-N 1 3 272.436 3.443 20 0 CGADHO C[NH+]1CCC(CNCc2cscc2C(F)(F)F)CC1 ZINC000352839384 379994722 /nfs/dbraw/zinc/99/47/22/379994722.db2.gz JYCVBZVBYHLAPQ-UHFFFAOYSA-N 1 3 292.370 3.198 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c1 ZINC000267913402 190362241 /nfs/dbraw/zinc/36/22/41/190362241.db2.gz FMWDLFUQGHNCBN-CRAIPNDOSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c1 ZINC000267913402 190362242 /nfs/dbraw/zinc/36/22/42/190362242.db2.gz FMWDLFUQGHNCBN-CRAIPNDOSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283172775 380042848 /nfs/dbraw/zinc/04/28/48/380042848.db2.gz JIHRFMLEDBNFBV-JLSDUUJJSA-N 1 3 270.420 3.030 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805272 380113144 /nfs/dbraw/zinc/11/31/44/380113144.db2.gz FIGZLTHQYPQICT-IJLUTSLNSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805272 380113148 /nfs/dbraw/zinc/11/31/48/380113148.db2.gz FIGZLTHQYPQICT-IJLUTSLNSA-N 1 3 266.351 3.167 20 0 CGADHO CCCc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc2n1 ZINC000643034417 380207228 /nfs/dbraw/zinc/20/72/28/380207228.db2.gz ZHSYXYGJRRAIRW-KSSFIOAISA-N 1 3 295.430 3.376 20 0 CGADHO CCCc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc2n1 ZINC000643034416 380207046 /nfs/dbraw/zinc/20/70/46/380207046.db2.gz ZHSYXYGJRRAIRW-KDOFPFPSSA-N 1 3 295.430 3.376 20 0 CGADHO C[NH2+]CCCN(C)CCCc1ccc(C(F)(F)F)cc1 ZINC000643083348 380212274 /nfs/dbraw/zinc/21/22/74/380212274.db2.gz FWFHROKBIDSGJZ-UHFFFAOYSA-N 1 3 288.357 3.179 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000643512475 380333737 /nfs/dbraw/zinc/33/37/37/380333737.db2.gz ZLHAWGUAPIUFDI-ONIAQPFYSA-N 1 3 287.451 3.215 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548675 380365557 /nfs/dbraw/zinc/36/55/57/380365557.db2.gz SXUXKEGXETVLAW-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]1C[C@H](CN(Cc2ccccc2F)C2CC2)CC[NH2+]1 ZINC000414681331 380370464 /nfs/dbraw/zinc/37/04/64/380370464.db2.gz OVPHAZIEQIKSQA-UONOGXRCSA-N 1 3 276.399 3.178 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682627 380370638 /nfs/dbraw/zinc/37/06/38/380370638.db2.gz YRUUORMOVRZLIN-FRRDWIJNSA-N 1 3 282.378 3.346 20 0 CGADHO Cc1csc(C2(NC[C@@H]3CC[NH2+][C@H](C)C3)CCCC2)n1 ZINC000414716972 380386084 /nfs/dbraw/zinc/38/60/84/380386084.db2.gz YONHEZYQPLJAAQ-TZMCWYRMSA-N 1 3 293.480 3.199 20 0 CGADHO CCN(CCC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414741997 380391379 /nfs/dbraw/zinc/39/13/79/380391379.db2.gz MWAVDCUKIBCTDT-LLVKDONJSA-N 1 3 274.330 3.437 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)CCN1 ZINC000643525757 380340822 /nfs/dbraw/zinc/34/08/22/380340822.db2.gz AQZKSDFDRCHBMW-XYPHTWIQSA-N 1 3 258.409 3.258 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)N)c1ccc2cc(OC)ccc2c1 ZINC000643526223 380342543 /nfs/dbraw/zinc/34/25/43/380342543.db2.gz VGNXSEAEPMPABZ-SJKOYZFVSA-N 1 3 272.392 3.236 20 0 CGADHO C[C@@H]([NH3+])CN[C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000643527825 380344408 /nfs/dbraw/zinc/34/44/08/380344408.db2.gz TYYWCCOUSZWBIY-OLZOCXBDSA-N 1 3 273.424 3.161 20 0 CGADHO Cc1ccc([C@@H](N[C@H]2CC23CC[NH2+]CC3)C2CCC2)o1 ZINC000643535505 380350816 /nfs/dbraw/zinc/35/08/16/380350816.db2.gz MZXTUDHRIVYICM-HOTGVXAUSA-N 1 3 274.408 3.161 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000643536305 380352061 /nfs/dbraw/zinc/35/20/61/380352061.db2.gz SRKKHUFIJREUMU-DYVFJYSZSA-N 1 3 281.403 3.028 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000643546041 380357378 /nfs/dbraw/zinc/35/73/78/380357378.db2.gz HHKVTVWLCKQANU-GOEBONIOSA-N 1 3 258.409 3.320 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643545788 380358098 /nfs/dbraw/zinc/35/80/98/380358098.db2.gz CIGHNQCNJIHEJQ-CHWSQXEVSA-N 1 3 264.438 3.464 20 0 CGADHO c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546178 380359399 /nfs/dbraw/zinc/35/93/99/380359399.db2.gz JZHYCNPONOSRTF-GXTWGEPZSA-N 1 3 276.449 3.390 20 0 CGADHO CC(C)C[C@H](CN)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414855558 380456907 /nfs/dbraw/zinc/45/69/07/380456907.db2.gz WZYHAVBINOYFFF-GFCCVEGCSA-N 1 3 295.477 3.335 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@H](C)N)cc1 ZINC000414818501 380429582 /nfs/dbraw/zinc/42/95/82/380429582.db2.gz FEXVFURMKHOKBJ-JCGIZDLHSA-N 1 3 290.451 3.437 20 0 CGADHO CCc1cccc(Cl)c1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414829504 380438317 /nfs/dbraw/zinc/43/83/17/380438317.db2.gz BFWFDIGWAQPNJY-ZDUSSCGKSA-N 1 3 280.843 3.382 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414857175 380457767 /nfs/dbraw/zinc/45/77/67/380457767.db2.gz PBBBFCVJKHZSCC-HZPDHXFCSA-N 1 3 274.452 3.332 20 0 CGADHO Cc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784183 380402844 /nfs/dbraw/zinc/40/28/44/380402844.db2.gz QWIJCSBEEIZSIM-HOTGVXAUSA-N 1 3 292.854 3.470 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414793494 380408908 /nfs/dbraw/zinc/40/89/08/380408908.db2.gz DMKVVFYWWIFYQL-KMFMINBZSA-N 1 3 278.415 3.254 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000414798270 380411942 /nfs/dbraw/zinc/41/19/42/380411942.db2.gz QAACCWQEAGTOES-RNCFNFMXSA-N 1 3 290.304 3.062 20 0 CGADHO CC(C)[C@H](N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414803878 380416126 /nfs/dbraw/zinc/41/61/26/380416126.db2.gz WZBDULTXTNIGOL-LJQANCHMSA-N 1 3 298.430 3.339 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000414809105 380420898 /nfs/dbraw/zinc/42/08/98/380420898.db2.gz TYHIWHXYSYIJNT-IEBWSBKVSA-N 1 3 295.430 3.356 20 0 CGADHO COc1ccc2oc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2c1 ZINC000414810343 380421621 /nfs/dbraw/zinc/42/16/21/380421621.db2.gz VGIRZRFKRNGCSM-MLGOLLRUSA-N 1 3 288.391 3.049 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414811371 380422700 /nfs/dbraw/zinc/42/27/00/380422700.db2.gz WAZAZAHKUIPDNA-DOTOQJQBSA-N 1 3 276.424 3.083 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000414925846 380491358 /nfs/dbraw/zinc/49/13/58/380491358.db2.gz MLFDZSMDNFNXRR-STQMWFEESA-N 1 3 273.207 3.353 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@H]1c1ccccc1 ZINC000414931758 380494143 /nfs/dbraw/zinc/49/41/43/380494143.db2.gz UXUMFAKKRKPXQT-WSOGKROESA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000414931758 380494148 /nfs/dbraw/zinc/49/41/48/380494148.db2.gz UXUMFAKKRKPXQT-WSOGKROESA-N 1 3 258.409 3.038 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414937705 380498244 /nfs/dbraw/zinc/49/82/44/380498244.db2.gz IDAKNMPJTOCACR-BFYDXBDKSA-N 1 3 274.452 3.330 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCN[C@@H](C)C1)CC1CCCCC1 ZINC000414945530 380500660 /nfs/dbraw/zinc/50/06/60/380500660.db2.gz INAOQDBCLWHEBG-DZKIICNBSA-N 1 3 252.446 3.323 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@@H]2c2ccccc2Cl)CCC1 ZINC000414876561 380470361 /nfs/dbraw/zinc/47/03/61/380470361.db2.gz LONGPYYMADXOJV-UKRRQHHQSA-N 1 3 278.827 3.447 20 0 CGADHO Cc1ccccc1-c1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000414875671 380470853 /nfs/dbraw/zinc/47/08/53/380470853.db2.gz KFBLKGLMGJJRTI-AWEZNQCLSA-N 1 3 268.404 3.346 20 0 CGADHO C[C@H](CCc1ccc(OC(F)F)cc1)NCC1([NH3+])CCC1 ZINC000414887145 380476008 /nfs/dbraw/zinc/47/60/08/380476008.db2.gz YVJRBOGHZXAQAX-GFCCVEGCSA-N 1 3 298.377 3.080 20 0 CGADHO C[C@@H](CCN)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414890982 380476346 /nfs/dbraw/zinc/47/63/46/380476346.db2.gz HTZUNCRUUZCJPI-KRWDZBQOSA-N 1 3 296.458 3.415 20 0 CGADHO CC(C)[C@@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000414904386 380483829 /nfs/dbraw/zinc/48/38/29/380483829.db2.gz JWLSQQJPIHOSRW-QZTJIDSGSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc(OCCN(C)C)c1 ZINC000417371137 380612414 /nfs/dbraw/zinc/61/24/14/380612414.db2.gz VCNXQSBWUFZVJY-GDBMZVCRSA-N 1 3 288.435 3.078 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000645474375 380686757 /nfs/dbraw/zinc/68/67/57/380686757.db2.gz OAKPDLWGHCTBLU-KLHDSHLOSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)Cc1ncc(CNCC2(C)CC[NH+](C)CC2)s1 ZINC000355723840 380759893 /nfs/dbraw/zinc/75/98/93/380759893.db2.gz GHTOIKYWGXGFRE-UHFFFAOYSA-N 1 3 295.496 3.163 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420365529 380851757 /nfs/dbraw/zinc/85/17/57/380851757.db2.gz LFLFTYSZZNGQMV-PVAVHDDUSA-N 1 3 282.472 3.079 20 0 CGADHO C[C@H](c1ccccc1)N(CCOCC[NH3+])Cc1ccccc1 ZINC000357029498 380998854 /nfs/dbraw/zinc/99/88/54/380998854.db2.gz NIADOXQKVMVTPK-QGZVFWFLSA-N 1 3 298.430 3.225 20 0 CGADHO c1ccc2cc(CCN3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000360543374 381575873 /nfs/dbraw/zinc/57/58/73/381575873.db2.gz HHIYMSHYMLXDDA-LJQANCHMSA-N 1 3 280.415 3.068 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229546881 542300920 /nfs/dbraw/zinc/30/09/20/542300920.db2.gz CNGISIWVMALRDH-LBPRGKRZSA-N 1 3 268.367 3.427 20 0 CGADHO Fc1ccc(/C=C/C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000366892241 382323100 /nfs/dbraw/zinc/32/31/00/382323100.db2.gz ZMBWLYWGILAOGO-SNAWJCMRSA-N 1 3 288.410 3.445 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263220 542330398 /nfs/dbraw/zinc/33/03/98/542330398.db2.gz VLKYVGMACWXQOG-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263220 542330403 /nfs/dbraw/zinc/33/04/03/542330403.db2.gz VLKYVGMACWXQOG-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000252414831 542349514 /nfs/dbraw/zinc/34/95/14/542349514.db2.gz JTFXPRLYXLVHTH-ZWKOTPCHSA-N 1 3 272.436 3.267 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000280883689 195015024 /nfs/dbraw/zinc/01/50/24/195015024.db2.gz OPZUOJPERPSFRZ-KURKYZTESA-N 1 3 287.451 3.385 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000353776875 220325326 /nfs/dbraw/zinc/32/53/26/220325326.db2.gz URINYWOXYVEFIL-WDSOQIARSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000353776875 220325331 /nfs/dbraw/zinc/32/53/31/220325331.db2.gz URINYWOXYVEFIL-WDSOQIARSA-N 1 3 284.447 3.208 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000353776875 220325334 /nfs/dbraw/zinc/32/53/34/220325334.db2.gz URINYWOXYVEFIL-WDSOQIARSA-N 1 3 284.447 3.208 20 0 CGADHO Cc1ccncc1CCC[NH2+]C1CCN(CC(C)C)CC1 ZINC000289322163 197297021 /nfs/dbraw/zinc/29/70/21/197297021.db2.gz TXTLXGZZOWHNFX-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO Cc1ccncc1CCCNC1CC[NH+](CC(C)C)CC1 ZINC000289322163 197297023 /nfs/dbraw/zinc/29/70/23/197297023.db2.gz TXTLXGZZOWHNFX-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO c1cc([C@H]2CCC[N@@H+](CCCN3CCCCC3)C2)ccn1 ZINC000289267190 197279967 /nfs/dbraw/zinc/27/99/67/197279967.db2.gz DOWXDBCLONKYKS-SFHVURJKSA-N 1 3 287.451 3.137 20 0 CGADHO c1cc([C@H]2CCC[N@H+](CCCN3CCCCC3)C2)ccn1 ZINC000289267190 197279969 /nfs/dbraw/zinc/27/99/69/197279969.db2.gz DOWXDBCLONKYKS-SFHVURJKSA-N 1 3 287.451 3.137 20 0 CGADHO COc1ccc([C@H](C)NCC[C@H](C)[NH3+])c2ccccc12 ZINC000423226879 533167688 /nfs/dbraw/zinc/16/76/88/533167688.db2.gz SQNOCKFWDZUHEQ-STQMWFEESA-N 1 3 272.392 3.236 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(-c2ccncc2)cc1 ZINC000423343183 533361234 /nfs/dbraw/zinc/36/12/34/533361234.db2.gz ZJUXTIUOFUOJIK-CQSZACIVSA-N 1 3 281.403 3.281 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccc(OC(F)(F)F)c1 ZINC000423325816 533361273 /nfs/dbraw/zinc/36/12/73/533361273.db2.gz LUJOKONUZZDQBU-SNVBAGLBSA-N 1 3 288.313 3.117 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(F)c1 ZINC000423353448 533450314 /nfs/dbraw/zinc/45/03/14/533450314.db2.gz DGUFWSUYQLIXET-GFCCVEGCSA-N 1 3 270.351 3.280 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(Cl)c1 ZINC000424336790 533520255 /nfs/dbraw/zinc/52/02/55/533520255.db2.gz QZCQMCXASLDAEO-LERXQTSPSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1nc(-c2ccccc2)cs1 ZINC000415015556 533540102 /nfs/dbraw/zinc/54/01/02/533540102.db2.gz OGCFIBNRWOZBOL-ZDUSSCGKSA-N 1 3 289.448 3.417 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423405840 533546502 /nfs/dbraw/zinc/54/65/02/533546502.db2.gz UBSULKJBPFCEGW-AYZDXNEBSA-N 1 3 292.389 3.331 20 0 CGADHO COc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1Cl ZINC000086583457 533657791 /nfs/dbraw/zinc/65/77/91/533657791.db2.gz UYFMTVQBFSTDMA-UHFFFAOYSA-N 1 3 284.831 3.026 20 0 CGADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(C(F)F)cc1)C2 ZINC000380524494 542595059 /nfs/dbraw/zinc/59/50/59/542595059.db2.gz CSMFJGPYKYTOQZ-HOCLYGCPSA-N 1 3 280.362 3.185 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000380524494 542595061 /nfs/dbraw/zinc/59/50/61/542595061.db2.gz CSMFJGPYKYTOQZ-HOCLYGCPSA-N 1 3 280.362 3.185 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000380524494 542595063 /nfs/dbraw/zinc/59/50/63/542595063.db2.gz CSMFJGPYKYTOQZ-HOCLYGCPSA-N 1 3 280.362 3.185 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@H]1C ZINC000414907725 542639310 /nfs/dbraw/zinc/63/93/10/542639310.db2.gz AVMFYENYNYGPPJ-LEOABGAYSA-N 1 3 252.446 3.307 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000414919924 542639434 /nfs/dbraw/zinc/63/94/34/542639434.db2.gz WCGDAOXCRGUMGW-QWHCGFSZSA-N 1 3 286.341 3.373 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000414926842 542640331 /nfs/dbraw/zinc/64/03/31/542640331.db2.gz NSQGDWDKPDVTOU-UAGQMJEPSA-N 1 3 260.425 3.176 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000415006655 542641877 /nfs/dbraw/zinc/64/18/77/542641877.db2.gz KUTDBTOBMNXPAG-KGLIPLIRSA-N 1 3 254.377 3.179 20 0 CGADHO C[C@@H](CC[NH2+]CCCN)c1cccc(C(F)(F)F)c1 ZINC000415089154 542641956 /nfs/dbraw/zinc/64/19/56/542641956.db2.gz MYWJSJXGXKWSCO-NSHDSACASA-N 1 3 274.330 3.137 20 0 CGADHO C[C@@H](CCNCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000415089154 542641962 /nfs/dbraw/zinc/64/19/62/542641962.db2.gz MYWJSJXGXKWSCO-NSHDSACASA-N 1 3 274.330 3.137 20 0 CGADHO CC1CCN(CCC[NH2+]CC2CCCCC2)CC1 ZINC000021010827 391942961 /nfs/dbraw/zinc/94/29/61/391942961.db2.gz AWFQBASUASPXOD-UHFFFAOYSA-N 1 3 252.446 3.278 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cccc(F)c1F ZINC000227497775 130845896 /nfs/dbraw/zinc/84/58/96/130845896.db2.gz MCMTZMBLMHNKDX-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](CCN(C)CC1CCC1)[N@H+](C)CC1CCC1 ZINC000431599182 542653093 /nfs/dbraw/zinc/65/30/93/542653093.db2.gz FRXDNLKFYWCKFL-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CCN(C)CC1CCC1)[N@@H+](C)CC1CCC1 ZINC000431599182 542653096 /nfs/dbraw/zinc/65/30/96/542653096.db2.gz FRXDNLKFYWCKFL-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@H+](C)CC1CCC1)N(C)CC1CCC1 ZINC000431599182 542653098 /nfs/dbraw/zinc/65/30/98/542653098.db2.gz FRXDNLKFYWCKFL-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@@H+](C)CC1CCC1)N(C)CC1CCC1 ZINC000431599182 542653101 /nfs/dbraw/zinc/65/31/01/542653101.db2.gz FRXDNLKFYWCKFL-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252570478 131135655 /nfs/dbraw/zinc/13/56/55/131135655.db2.gz ACFZTAZEZNYTSA-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252570478 131135657 /nfs/dbraw/zinc/13/56/57/131135657.db2.gz ACFZTAZEZNYTSA-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc(OC)cc32)C1 ZINC000252570478 131135659 /nfs/dbraw/zinc/13/56/59/131135659.db2.gz ACFZTAZEZNYTSA-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CC/C=C/CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453326499 542680364 /nfs/dbraw/zinc/68/03/64/542680364.db2.gz SGXUSWXDKQTWMM-CDFMYIFESA-N 1 3 258.409 3.378 20 0 CGADHO CC/C=C/CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453326499 542680365 /nfs/dbraw/zinc/68/03/65/542680365.db2.gz SGXUSWXDKQTWMM-CDFMYIFESA-N 1 3 258.409 3.378 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000289150826 392415323 /nfs/dbraw/zinc/41/53/23/392415323.db2.gz GHEBPRFUTOBOMA-HBUWYVDXSA-N 1 3 270.420 3.309 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000289150826 392415327 /nfs/dbraw/zinc/41/53/27/392415327.db2.gz GHEBPRFUTOBOMA-HBUWYVDXSA-N 1 3 270.420 3.309 20 0 CGADHO Clc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000130048636 392453431 /nfs/dbraw/zinc/45/34/31/392453431.db2.gz DJSYLCCXOMGRJQ-PXAZEXFGSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1ccc2c(c1)CC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000130048636 392453435 /nfs/dbraw/zinc/45/34/35/392453435.db2.gz DJSYLCCXOMGRJQ-PXAZEXFGSA-N 1 3 290.838 3.401 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCCC12CCCC2)CN(C)C ZINC000310791298 392660161 /nfs/dbraw/zinc/66/01/61/392660161.db2.gz UUXMZXBHKAYIDU-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000647344739 392695155 /nfs/dbraw/zinc/69/51/55/392695155.db2.gz YEUITZWQAFHZCQ-QGTPRVQTSA-N 1 3 284.403 3.276 20 0 CGADHO Cc1ccc2cc(C[N@H+](C3CC3)C3CCNCC3)ccc2n1 ZINC000647482447 392736953 /nfs/dbraw/zinc/73/69/53/392736953.db2.gz GJTSPAGDWUPKJD-UHFFFAOYSA-N 1 3 295.430 3.260 20 0 CGADHO Cc1ccc2cc(C[N@@H+](C3CC3)C3CCNCC3)ccc2n1 ZINC000647482447 392736957 /nfs/dbraw/zinc/73/69/57/392736957.db2.gz GJTSPAGDWUPKJD-UHFFFAOYSA-N 1 3 295.430 3.260 20 0 CGADHO CC[C@@H]1CN(CC(C)(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498462 392742540 /nfs/dbraw/zinc/74/25/40/392742540.db2.gz HSUGFXSZWYBZTD-ZBFHGGJFSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CC[C@@H]1N ZINC000647498462 392742542 /nfs/dbraw/zinc/74/25/42/392742542.db2.gz HSUGFXSZWYBZTD-ZBFHGGJFSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@@H]1N ZINC000647498462 392742546 /nfs/dbraw/zinc/74/25/46/392742546.db2.gz HSUGFXSZWYBZTD-ZBFHGGJFSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)C2)CC[C@@H]1N ZINC000647498266 392742626 /nfs/dbraw/zinc/74/26/26/392742626.db2.gz DHUBAMACWOOYBM-ZNMIVQPWSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@@H]1N ZINC000647498266 392742627 /nfs/dbraw/zinc/74/26/27/392742627.db2.gz DHUBAMACWOOYBM-ZNMIVQPWSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc2cnccc21 ZINC000647505933 392744561 /nfs/dbraw/zinc/74/45/61/392744561.db2.gz QVLLJFWYSOIEOR-KRWDZBQOSA-N 1 3 271.408 3.040 20 0 CGADHO CC[C@H]1CN(CCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936892 392837711 /nfs/dbraw/zinc/83/77/11/392837711.db2.gz MXKUIWSIRWNHBH-BBRMVZONSA-N 1 3 296.842 3.168 20 0 CGADHO Cc1cccc(C)c1C[N@H+](C1CC1)C1CCNCC1 ZINC000647815154 392808415 /nfs/dbraw/zinc/80/84/15/392808415.db2.gz RGXAWLWMTRCGOS-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1cccc(C)c1C[N@@H+](C1CC1)C1CCNCC1 ZINC000647815154 392808418 /nfs/dbraw/zinc/80/84/18/392808418.db2.gz RGXAWLWMTRCGOS-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO CN(CCC[NH3+])CCCSc1ccccc1Cl ZINC000647848160 392813448 /nfs/dbraw/zinc/81/34/48/392813448.db2.gz HVMKTBFKXBQUKS-UHFFFAOYSA-N 1 3 272.845 3.103 20 0 CGADHO CC[NH+]1CCC(CCNCc2scnc2C2CC2)CC1 ZINC000487308111 542711707 /nfs/dbraw/zinc/71/17/07/542711707.db2.gz SDDSWGJBOKXENX-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO Cc1nc([C@H]2CCCN2CCCC2CC[NH2+]CC2)cs1 ZINC000647988815 392858619 /nfs/dbraw/zinc/85/86/19/392858619.db2.gz RPQZESDSGXKDOB-MRXNPFEDSA-N 1 3 293.480 3.368 20 0 CGADHO Cc1ccc(C)c([C@H]2CCCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647989161 392858651 /nfs/dbraw/zinc/85/86/51/392858651.db2.gz RMZDPJIGRZSCLU-NVXWUHKLSA-N 1 3 258.409 3.050 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(C)CCC(C)(C)C)cc1 ZINC000647997450 392860390 /nfs/dbraw/zinc/86/03/90/392860390.db2.gz FPXQZKMEJGFGCM-OAHLLOKOSA-N 1 3 278.440 3.106 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000337363314 392881198 /nfs/dbraw/zinc/88/11/98/392881198.db2.gz AHQCAZJZXZQVQP-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO CN1CC=C(C[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000392188844 392929337 /nfs/dbraw/zinc/92/93/37/392929337.db2.gz JLHZXGRKEAUCOY-UHFFFAOYSA-N 1 3 264.457 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H](C)CC[NH+](C)C)CCC2 ZINC000339067082 392945053 /nfs/dbraw/zinc/94/50/53/392945053.db2.gz IQMUNBWKLADPKF-RHSMWYFYSA-N 1 3 260.425 3.302 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459350562 392941652 /nfs/dbraw/zinc/94/16/52/392941652.db2.gz GBTKPBBJFMMVRI-OAHLLOKOSA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459350562 392941655 /nfs/dbraw/zinc/94/16/55/392941655.db2.gz GBTKPBBJFMMVRI-OAHLLOKOSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350562 392941658 /nfs/dbraw/zinc/94/16/58/392941658.db2.gz GBTKPBBJFMMVRI-OAHLLOKOSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350562 392941660 /nfs/dbraw/zinc/94/16/60/392941660.db2.gz GBTKPBBJFMMVRI-OAHLLOKOSA-N 1 3 288.426 3.476 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000521292570 542739096 /nfs/dbraw/zinc/73/90/96/542739096.db2.gz PWOMIDQQEVXNCG-HDEZJCGLSA-N 1 3 264.457 3.133 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000459741762 392953945 /nfs/dbraw/zinc/95/39/45/392953945.db2.gz NQYJZJPDXOGMSU-BGTYHANMSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000459741762 392953952 /nfs/dbraw/zinc/95/39/52/392953952.db2.gz NQYJZJPDXOGMSU-BGTYHANMSA-N 1 3 294.483 3.187 20 0 CGADHO CCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211369887 392985041 /nfs/dbraw/zinc/98/50/41/392985041.db2.gz LJYSLKDTPRRVQH-UHFFFAOYSA-N 1 3 280.415 3.354 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000221279165 393007949 /nfs/dbraw/zinc/00/79/49/393007949.db2.gz YFLYRKSWOKJQKP-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000221279165 393007955 /nfs/dbraw/zinc/00/79/55/393007955.db2.gz YFLYRKSWOKJQKP-NXHRZFHOSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000415005549 393089434 /nfs/dbraw/zinc/08/94/34/393089434.db2.gz PEQQSJFQLXMJMW-QANKJYHBSA-N 1 3 290.426 3.297 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1c(Cl)oc2ccccc21 ZINC000415016500 393098633 /nfs/dbraw/zinc/09/86/33/393098633.db2.gz CLSWTBFQTAMXDB-JTQLQIEISA-N 1 3 266.772 3.303 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414210273 393043990 /nfs/dbraw/zinc/04/39/90/393043990.db2.gz UGRPFYQKYMPPHD-SOLBZPMBSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414952253 393060466 /nfs/dbraw/zinc/06/04/66/393060466.db2.gz INJWWWCLJRTHFH-WCQYABFASA-N 1 3 266.454 3.133 20 0 CGADHO CCC[C@H](C[NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000414955145 393062701 /nfs/dbraw/zinc/06/27/01/393062701.db2.gz LKAVOHXGEUTRJS-UAGQMJEPSA-N 1 3 260.425 3.158 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2nc(-c3ccccc3)cs2)C1 ZINC000415047274 393110560 /nfs/dbraw/zinc/11/05/60/393110560.db2.gz VOHKBSFDFWHWMR-GXTWGEPZSA-N 1 3 287.432 3.027 20 0 CGADHO COc1ccsc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415049435 393113345 /nfs/dbraw/zinc/11/33/45/393113345.db2.gz HGCLLDLQACTDKO-AWEZNQCLSA-N 1 3 290.432 3.327 20 0 CGADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000415053979 393115306 /nfs/dbraw/zinc/11/53/06/393115306.db2.gz PHYVFVBCOGSABY-GDBMZVCRSA-N 1 3 278.465 3.329 20 0 CGADHO CCCc1cccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415058462 393120123 /nfs/dbraw/zinc/12/01/23/393120123.db2.gz RVBQNNRNYKSRSK-RHSMWYFYSA-N 1 3 260.425 3.056 20 0 CGADHO CCCc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000415058462 393120129 /nfs/dbraw/zinc/12/01/29/393120129.db2.gz RVBQNNRNYKSRSK-RHSMWYFYSA-N 1 3 260.425 3.056 20 0 CGADHO CCCc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000415058462 393120136 /nfs/dbraw/zinc/12/01/36/393120136.db2.gz RVBQNNRNYKSRSK-RHSMWYFYSA-N 1 3 260.425 3.056 20 0 CGADHO C[C@@H]1CN(C2c3ccccc3-c3ccccc32)CC[C@H]1[NH3+] ZINC000251764482 393120258 /nfs/dbraw/zinc/12/02/58/393120258.db2.gz LZTHQTLYIIAOML-FZKQIMNGSA-N 1 3 278.399 3.426 20 0 CGADHO [NH3+]CCC[C@@H](NCc1ccc(F)cc1)c1ccccc1 ZINC000415057699 393120252 /nfs/dbraw/zinc/12/02/52/393120252.db2.gz SFHFLMFVLJDSSQ-QGZVFWFLSA-N 1 3 272.367 3.396 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCCNC1CC1 ZINC000415068269 393126750 /nfs/dbraw/zinc/12/67/50/393126750.db2.gz MEBGOZDJCKKMHP-NSHDSACASA-N 1 3 286.872 3.454 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NCCC[NH2+]C1CC1 ZINC000415068269 393126755 /nfs/dbraw/zinc/12/67/55/393126755.db2.gz MEBGOZDJCKKMHP-NSHDSACASA-N 1 3 286.872 3.454 20 0 CGADHO [NH3+]CC1CCC(NCc2csc(-c3ccco3)n2)CC1 ZINC000415080373 393133541 /nfs/dbraw/zinc/13/35/41/393133541.db2.gz JAMCGNRVUXICDW-UHFFFAOYSA-N 1 3 291.420 3.010 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000415081750 393133917 /nfs/dbraw/zinc/13/39/17/393133917.db2.gz NILADENNLAJSPF-LBPRGKRZSA-N 1 3 264.438 3.201 20 0 CGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000415081514 393134258 /nfs/dbraw/zinc/13/42/58/393134258.db2.gz KORLLYMGVUJNAG-UPJWGTAASA-N 1 3 252.427 3.177 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)c1cccs1 ZINC000415081514 393134261 /nfs/dbraw/zinc/13/42/61/393134261.db2.gz KORLLYMGVUJNAG-UPJWGTAASA-N 1 3 252.427 3.177 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000415081748 393134347 /nfs/dbraw/zinc/13/43/47/393134347.db2.gz NILADENNLAJSPF-GFCCVEGCSA-N 1 3 264.438 3.201 20 0 CGADHO Cc1ccc([C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c(C)c1 ZINC000261837129 393143543 /nfs/dbraw/zinc/14/35/43/393143543.db2.gz RRTOJWKKNCFHSV-DLBZAZTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c(C)c1 ZINC000261837129 393143549 /nfs/dbraw/zinc/14/35/49/393143549.db2.gz RRTOJWKKNCFHSV-DLBZAZTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1ccc([C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000261837129 393143553 /nfs/dbraw/zinc/14/35/53/393143553.db2.gz RRTOJWKKNCFHSV-DLBZAZTESA-N 1 3 272.436 3.092 20 0 CGADHO CC(C)([NH3+])CNC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000415122545 393150794 /nfs/dbraw/zinc/15/07/94/393150794.db2.gz ODQNIXKRXLWNFD-GOSISDBHSA-N 1 3 282.431 3.340 20 0 CGADHO C[C@H](Nc1ccnc2ccccc21)C(C)(C)C[NH+](C)C ZINC000468820252 393163376 /nfs/dbraw/zinc/16/33/76/393163376.db2.gz DISOUYQFLCWDJP-ZDUSSCGKSA-N 1 3 271.408 3.045 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000353253149 393218167 /nfs/dbraw/zinc/21/81/67/393218167.db2.gz VHNJTLVYUXQPPE-INIZCTEOSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCC(F)(F)CC1 ZINC000353285185 393219434 /nfs/dbraw/zinc/21/94/34/393219434.db2.gz ATLAEDUYVVXWIB-NWANDNLSSA-N 1 3 286.410 3.417 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278522564 393322384 /nfs/dbraw/zinc/32/23/84/393322384.db2.gz MYELPIZGKJFIFA-DLBZAZTESA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278522564 393322388 /nfs/dbraw/zinc/32/23/88/393322388.db2.gz MYELPIZGKJFIFA-DLBZAZTESA-N 1 3 290.451 3.147 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000104137756 299635939 /nfs/dbraw/zinc/63/59/39/299635939.db2.gz CYFFOXUKCMYFFU-NWDGAFQWSA-N 1 3 266.816 3.460 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000648853845 393274468 /nfs/dbraw/zinc/27/44/68/393274468.db2.gz WJYWKPCTQQHCRG-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO CN(C)CCOc1ccc(-c2cccc(C[NH+](C)C)c2)cc1 ZINC000649436682 393428404 /nfs/dbraw/zinc/42/84/04/393428404.db2.gz OTWNENRUOKWCJR-UHFFFAOYSA-N 1 3 298.430 3.356 20 0 CGADHO CC[C@H]([NH2+]CCCN1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000480599707 393436113 /nfs/dbraw/zinc/43/61/13/393436113.db2.gz CLVJXWWHORMPIQ-DZKIICNBSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000488296562 393481506 /nfs/dbraw/zinc/48/15/06/393481506.db2.gz JTNWNXQYMKPDAC-YYIAUSFCSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000488296562 393481509 /nfs/dbraw/zinc/48/15/09/393481509.db2.gz JTNWNXQYMKPDAC-YYIAUSFCSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000488296562 393481513 /nfs/dbraw/zinc/48/15/13/393481513.db2.gz JTNWNXQYMKPDAC-YYIAUSFCSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC000488296562 393481517 /nfs/dbraw/zinc/48/15/17/393481517.db2.gz JTNWNXQYMKPDAC-YYIAUSFCSA-N 1 3 264.457 3.229 20 0 CGADHO CCN(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1Cl ZINC000420324966 393468490 /nfs/dbraw/zinc/46/84/90/393468490.db2.gz VUFQDCZXWSFHTN-ZDUSSCGKSA-N 1 3 266.816 3.162 20 0 CGADHO CC[C@@H](c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359005 393472266 /nfs/dbraw/zinc/47/22/66/393472266.db2.gz FLNSRQXOBNQKLS-IRXDYDNUSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000475573161 393409072 /nfs/dbraw/zinc/40/90/72/393409072.db2.gz RTISWESDEPOVNL-LWSMDNFKSA-N 1 3 284.447 3.397 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@@H]1CCCC[NH2+]1)CC3 ZINC000666769665 542814513 /nfs/dbraw/zinc/81/45/13/542814513.db2.gz AJJGADKMCNOIJT-CABCVRRESA-N 1 3 297.446 3.065 20 0 CGADHO COc1ccc(C[NH2+]C[C@@H]2CCCCN2)c2ccccc12 ZINC000666768547 542814848 /nfs/dbraw/zinc/81/48/48/542814848.db2.gz JVFNPMQBDYRDPG-HNNXBMFYSA-N 1 3 284.403 3.080 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000666857973 542821768 /nfs/dbraw/zinc/82/17/68/542821768.db2.gz RJZZFRVKWXLWRE-SQNIBIBYSA-N 1 3 272.436 3.363 20 0 CGADHO C[C@@](CN)([NH2+]Cc1ccccc1Oc1cccnc1)C1CC1 ZINC000430573635 393578920 /nfs/dbraw/zinc/57/89/20/393578920.db2.gz MJGWNBYKEQBKAA-SFHVURJKSA-N 1 3 297.402 3.091 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422816894 393643827 /nfs/dbraw/zinc/64/38/27/393643827.db2.gz GKMNTNACUXXWGK-BYNSBNAKSA-N 1 3 270.486 3.158 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422966613 393647604 /nfs/dbraw/zinc/64/76/04/393647604.db2.gz NWBMFSNRMXORJB-MVJPYGJCSA-N 1 3 294.442 3.481 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC000423078970 393650233 /nfs/dbraw/zinc/65/02/33/393650233.db2.gz WYTCCTFBSYUTIX-RDBSUJKOSA-N 1 3 252.446 3.036 20 0 CGADHO [NH3+]CCCN[C@H]1CCCc2c3ccccc3sc21 ZINC000423178624 393654025 /nfs/dbraw/zinc/65/40/25/393654025.db2.gz CFCJTDJJGIXIBV-ZDUSSCGKSA-N 1 3 260.406 3.217 20 0 CGADHO NCCC[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423178624 393654028 /nfs/dbraw/zinc/65/40/28/393654028.db2.gz CFCJTDJJGIXIBV-ZDUSSCGKSA-N 1 3 260.406 3.217 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423266983 393657221 /nfs/dbraw/zinc/65/72/21/393657221.db2.gz FAZXYLMRKPILLX-ZWNOBZJWSA-N 1 3 274.330 3.339 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](N)C2CC2)c2ccccc21 ZINC000423339160 393662190 /nfs/dbraw/zinc/66/21/90/393662190.db2.gz ZGSDDXYDYGRHJO-ULQDDVLXSA-N 1 3 258.409 3.198 20 0 CGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423384352 393665833 /nfs/dbraw/zinc/66/58/33/393665833.db2.gz LAXOFMYTCVONNR-CHWSQXEVSA-N 1 3 258.409 3.204 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423440711 393667587 /nfs/dbraw/zinc/66/75/87/393667587.db2.gz AWUQMODXXZQNGG-OCCSQVGLSA-N 1 3 297.240 3.153 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000423469338 393669272 /nfs/dbraw/zinc/66/92/72/393669272.db2.gz OUJZNCKNFSHDSV-KWBADKCTSA-N 1 3 297.240 3.324 20 0 CGADHO CC1(C)CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000433288520 393706988 /nfs/dbraw/zinc/70/69/88/393706988.db2.gz ZSCRGILWHIKENQ-UHFFFAOYSA-N 1 3 273.424 3.076 20 0 CGADHO CC[N@H+](CCCc1ccccc1)[C@H]1CCCNCC1 ZINC000435627470 393714870 /nfs/dbraw/zinc/71/48/70/393714870.db2.gz NOUNHPMBLPWUKA-KRWDZBQOSA-N 1 3 260.425 3.083 20 0 CGADHO CC[N@@H+](CCCc1ccccc1)[C@H]1CCCNCC1 ZINC000435627470 393714875 /nfs/dbraw/zinc/71/48/75/393714875.db2.gz NOUNHPMBLPWUKA-KRWDZBQOSA-N 1 3 260.425 3.083 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000445986700 393839598 /nfs/dbraw/zinc/83/95/98/393839598.db2.gz XBYWZHSMHLOIAJ-KURKYZTESA-N 1 3 272.436 3.397 20 0 CGADHO CCc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000443890685 393776873 /nfs/dbraw/zinc/77/68/73/393776873.db2.gz XDOIWCKWTZHIQH-ZFWWWQNUSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000443890685 393776875 /nfs/dbraw/zinc/77/68/75/393776875.db2.gz XDOIWCKWTZHIQH-ZFWWWQNUSA-N 1 3 283.419 3.114 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449204880 393877098 /nfs/dbraw/zinc/87/70/98/393877098.db2.gz JWXJGVOSPFGNJL-IAGOWNOFSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995199 542832447 /nfs/dbraw/zinc/83/24/47/542832447.db2.gz FVEXZVMNBKOVOJ-ZFWWWQNUSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@@H](CCc1ccsc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995199 542832452 /nfs/dbraw/zinc/83/24/52/542832452.db2.gz FVEXZVMNBKOVOJ-ZFWWWQNUSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCCCC1 ZINC000666993803 542832789 /nfs/dbraw/zinc/83/27/89/542832789.db2.gz KYSJFSCGDIADKP-HIFRSBDPSA-N 1 3 250.430 3.220 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666999383 542834720 /nfs/dbraw/zinc/83/47/20/542834720.db2.gz APNUKQRNEJJHNI-MRXNPFEDSA-N 1 3 258.409 3.013 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453109419 394174411 /nfs/dbraw/zinc/17/44/11/394174411.db2.gz PLHCNTPTSMCIRN-PBHICJAKSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228747 394212766 /nfs/dbraw/zinc/21/27/66/394212766.db2.gz BYMUYTSMDIHTQV-ZTFRIQLXSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228747 394212772 /nfs/dbraw/zinc/21/27/72/394212772.db2.gz BYMUYTSMDIHTQV-ZTFRIQLXSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453398258 394232700 /nfs/dbraw/zinc/23/27/00/394232700.db2.gz KKVRRCUOYDCNBP-GFCCVEGCSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453398258 394232707 /nfs/dbraw/zinc/23/27/07/394232707.db2.gz KKVRRCUOYDCNBP-GFCCVEGCSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CNCCCC[N@H+](C)C2CC2)o1 ZINC000453590748 394251531 /nfs/dbraw/zinc/25/15/31/394251531.db2.gz BESQLAIAVDIDIU-BBRMVZONSA-N 1 3 276.424 3.367 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CNCCCC[N@@H+](C)C2CC2)o1 ZINC000453590748 394251534 /nfs/dbraw/zinc/25/15/34/394251534.db2.gz BESQLAIAVDIDIU-BBRMVZONSA-N 1 3 276.424 3.367 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453148385 394187954 /nfs/dbraw/zinc/18/79/54/394187954.db2.gz YRXQSSAAIRMQGG-GVDBMIGSSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668815 543041354 /nfs/dbraw/zinc/04/13/54/543041354.db2.gz DHCGSSCIYBQPMX-XABWRGDLSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668815 543041357 /nfs/dbraw/zinc/04/13/57/543041357.db2.gz DHCGSSCIYBQPMX-XABWRGDLSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)C(C)(C)C ZINC000670265733 543148535 /nfs/dbraw/zinc/14/85/35/543148535.db2.gz ZIZYOUULFOXRKA-KFWWJZLASA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)C(C)(C)C ZINC000670265733 543148539 /nfs/dbraw/zinc/14/85/39/543148539.db2.gz ZIZYOUULFOXRKA-KFWWJZLASA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000671753809 543186765 /nfs/dbraw/zinc/18/67/65/543186765.db2.gz UKDRBNMENOZUEU-IKGGRYGDSA-N 1 3 266.473 3.379 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2c(O)cccc12 ZINC000672327625 543208724 /nfs/dbraw/zinc/20/87/24/543208724.db2.gz DQMXBNQPVTXVDN-ZIAGYGMSSA-N 1 3 297.402 3.003 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C(C)C)cc1 ZINC000423372924 292110459 /nfs/dbraw/zinc/11/04/59/292110459.db2.gz HKMONQOWIOFBBZ-KURKYZTESA-N 1 3 274.452 3.422 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000062078686 397638221 /nfs/dbraw/zinc/63/82/21/397638221.db2.gz QGDSYJSQXGVLCK-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000062078686 397638224 /nfs/dbraw/zinc/63/82/24/397638224.db2.gz QGDSYJSQXGVLCK-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cc2ccccc2s1 ZINC000334361851 397682327 /nfs/dbraw/zinc/68/23/27/397682327.db2.gz CFHZETRZBUMNSC-IUODEOHRSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cc2ccccc2s1 ZINC000334361851 397682329 /nfs/dbraw/zinc/68/23/29/397682329.db2.gz CFHZETRZBUMNSC-IUODEOHRSA-N 1 3 274.433 3.331 20 0 CGADHO CCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491062805 397708693 /nfs/dbraw/zinc/70/86/93/397708693.db2.gz SUQVGNZGFLISEY-INIZCTEOSA-N 1 3 252.446 3.375 20 0 CGADHO C[C@H]([NH3+])c1ccc(CNCc2cccc3c2CCC3)cc1 ZINC000650703640 397897869 /nfs/dbraw/zinc/89/78/69/397897869.db2.gz JXQCDBYDQWSGTJ-AWEZNQCLSA-N 1 3 280.415 3.485 20 0 CGADHO C[C@@H](CCc1ccsc1)NCc1ccc(C[NH3+])cc1F ZINC000650717802 397901061 /nfs/dbraw/zinc/90/10/61/397901061.db2.gz MVZDUJGGNMTNSY-LBPRGKRZSA-N 1 3 292.423 3.457 20 0 CGADHO CCOc1cccc(CNCc2ccccc2C[NH2+]C)c1 ZINC000650718712 397901436 /nfs/dbraw/zinc/90/14/36/397901436.db2.gz UPOOEXCXKICMOJ-UHFFFAOYSA-N 1 3 284.403 3.095 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc2ccsc21 ZINC000650740694 397904371 /nfs/dbraw/zinc/90/43/71/397904371.db2.gz OKGCWCPHDFUJEM-IUODEOHRSA-N 1 3 274.433 3.379 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCNc2ccccc21 ZINC000650756777 397910266 /nfs/dbraw/zinc/91/02/66/397910266.db2.gz JTRJMCZVVUIXBU-LJQANCHMSA-N 1 3 295.430 3.443 20 0 CGADHO C[C@@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000675778726 543363888 /nfs/dbraw/zinc/36/38/88/543363888.db2.gz KFMQBTDAUHNVLB-LSDHHAIUSA-N 1 3 290.451 3.324 20 0 CGADHO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000675723188 543358166 /nfs/dbraw/zinc/35/81/66/543358166.db2.gz ZDUYAYWUGTTXOR-HUUCEWRRSA-N 1 3 278.440 3.466 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C2CC2)cc1 ZINC000675752565 543360927 /nfs/dbraw/zinc/36/09/27/543360927.db2.gz ZYNUPYYLVXSLRX-QYZOEREBSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000675752565 543360930 /nfs/dbraw/zinc/36/09/30/543360930.db2.gz ZYNUPYYLVXSLRX-QYZOEREBSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000675752565 543360932 /nfs/dbraw/zinc/36/09/32/543360932.db2.gz ZYNUPYYLVXSLRX-QYZOEREBSA-N 1 3 284.447 3.224 20 0 CGADHO CCC[C@@H](C)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678141219 543487543 /nfs/dbraw/zinc/48/75/43/543487543.db2.gz SDSWEWJUGIDHAH-OAHLLOKOSA-N 1 3 278.440 3.247 20 0 CGADHO CCC[C@@H](C)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678141219 543487545 /nfs/dbraw/zinc/48/75/45/543487545.db2.gz SDSWEWJUGIDHAH-OAHLLOKOSA-N 1 3 278.440 3.247 20 0 CGADHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678222757 543496149 /nfs/dbraw/zinc/49/61/49/543496149.db2.gz UPHJOBMVGATKIT-JKSUJKDBSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678222757 543496151 /nfs/dbraw/zinc/49/61/51/543496151.db2.gz UPHJOBMVGATKIT-JKSUJKDBSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H]1CCCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678265535 543504234 /nfs/dbraw/zinc/50/42/34/543504234.db2.gz VPRURMOKDNUYTP-INIZCTEOSA-N 1 3 290.451 3.392 20 0 CGADHO C[C@H]1CCCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678265535 543504235 /nfs/dbraw/zinc/50/42/35/543504235.db2.gz VPRURMOKDNUYTP-INIZCTEOSA-N 1 3 290.451 3.392 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338423 543515438 /nfs/dbraw/zinc/51/54/38/543515438.db2.gz CNDNEMWNCRXXOR-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3nccc4ccccc43)CC[C@H]21 ZINC000678338423 543515439 /nfs/dbraw/zinc/51/54/39/543515439.db2.gz CNDNEMWNCRXXOR-VQIMIIECSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC000678926386 543572368 /nfs/dbraw/zinc/57/23/68/543572368.db2.gz AZJLNGULCMCOLX-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc(F)cc32)C1 ZINC000678926386 543572371 /nfs/dbraw/zinc/57/23/71/543572371.db2.gz AZJLNGULCMCOLX-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261985319 286390551 /nfs/dbraw/zinc/39/05/51/286390551.db2.gz JRMXENBKVYKHII-ROUUACIJSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000432423800 299774691 /nfs/dbraw/zinc/77/46/91/299774691.db2.gz LCYCJHBHILTCQA-MVJTYMMSSA-N 1 3 294.483 3.044 20 0 CGADHO COCCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183186288 292378271 /nfs/dbraw/zinc/37/82/71/292378271.db2.gz NDTIQGMJQXZLLA-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO COCCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423364098 292384060 /nfs/dbraw/zinc/38/40/60/292384060.db2.gz JKOIQDDXWHSWSF-IKGGRYGDSA-N 1 3 294.414 3.153 20 0 CGADHO C[C@@H]([NH2+]CC1(C)CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000432860622 287016952 /nfs/dbraw/zinc/01/69/52/287016952.db2.gz TVBMDBHSLWQIHM-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCCN(C2CCC2)C1 ZINC000347927606 287021362 /nfs/dbraw/zinc/02/13/62/287021362.db2.gz IAWRMPSAHXQYCX-NEPJUHHUSA-N 1 3 278.362 3.181 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]CC1CCN(C)CC1 ZINC000070092005 165055572 /nfs/dbraw/zinc/05/55/72/165055572.db2.gz OFUOBTDCCVQTIY-GFCCVEGCSA-N 1 3 252.427 3.049 20 0 CGADHO CSCCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109896 165112530 /nfs/dbraw/zinc/11/25/30/165112530.db2.gz SLOYLJYCJNZYJH-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO CSCCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109896 165112536 /nfs/dbraw/zinc/11/25/36/165112536.db2.gz SLOYLJYCJNZYJH-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000089146124 165198320 /nfs/dbraw/zinc/19/83/20/165198320.db2.gz RMULWEORUXWTFS-BXUZGUMPSA-N 1 3 270.779 3.086 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148746 165200482 /nfs/dbraw/zinc/20/04/82/165200482.db2.gz QAMYKWKGCKVLSY-NJZAAPMLSA-N 1 3 264.438 3.187 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089144985 165200531 /nfs/dbraw/zinc/20/05/31/165200531.db2.gz GRFXXNQYOVEZTR-UAGQMJEPSA-N 1 3 260.425 3.033 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1Cl ZINC000089147513 165201542 /nfs/dbraw/zinc/20/15/42/165201542.db2.gz ODXXEABSMFKXOG-SMDDNHRTSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccc(Cl)cc1Cl ZINC000089147513 165201544 /nfs/dbraw/zinc/20/15/44/165201544.db2.gz ODXXEABSMFKXOG-SMDDNHRTSA-N 1 3 287.234 3.253 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNCc2ccn(C)c2)cc1 ZINC000091007316 165250416 /nfs/dbraw/zinc/25/04/16/165250416.db2.gz FSIORRAOXBQGPF-UHFFFAOYSA-N 1 3 285.435 3.157 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516402 287147873 /nfs/dbraw/zinc/14/78/73/287147873.db2.gz GLRAPNGGLRFNON-MRXNPFEDSA-N 1 3 298.430 3.102 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516402 287147876 /nfs/dbraw/zinc/14/78/76/287147876.db2.gz GLRAPNGGLRFNON-MRXNPFEDSA-N 1 3 298.430 3.102 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000116387776 287157357 /nfs/dbraw/zinc/15/73/57/287157357.db2.gz OHQOXKCFHVNMTG-WMZOPIPTSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(Cl)cc1 ZINC000020128998 171016251 /nfs/dbraw/zinc/01/62/51/171016251.db2.gz KUCODKGUUOWJHY-ZDUSSCGKSA-N 1 3 266.816 3.477 20 0 CGADHO c1cnc2c(c1)cccc2C[NH2+]CCCN1CCCCC1 ZINC000020128874 171016446 /nfs/dbraw/zinc/01/64/46/171016446.db2.gz RLXKOADWOMEMHY-UHFFFAOYSA-N 1 3 283.419 3.200 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(OCC)cc2)CC1 ZINC000020189535 171055807 /nfs/dbraw/zinc/05/58/07/171055807.db2.gz LNKGJHQWAFTWJG-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNCc1cccn1C ZINC000020360563 171159480 /nfs/dbraw/zinc/15/94/80/171159480.db2.gz REWUCHRQGCASQC-UHFFFAOYSA-N 1 3 285.435 3.157 20 0 CGADHO CCC[N@H+](Cc1cccc2cccnc21)C1CCNCC1 ZINC000037539290 173259895 /nfs/dbraw/zinc/25/98/95/173259895.db2.gz JDLQWDHWHVNZBB-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCC[N@@H+](Cc1cccc2cccnc21)C1CCNCC1 ZINC000037539290 173259896 /nfs/dbraw/zinc/25/98/96/173259896.db2.gz JDLQWDHWHVNZBB-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCCN(Cc1cccc2cccnc21)C1CC[NH2+]CC1 ZINC000037539290 173259898 /nfs/dbraw/zinc/25/98/98/173259898.db2.gz JDLQWDHWHVNZBB-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCCN(CCOc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000037539175 173260124 /nfs/dbraw/zinc/26/01/24/173260124.db2.gz PNCVNBQFRPOKQM-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[N@H+](CCOc1ccc(Cl)cc1)C1CCNCC1 ZINC000037539175 173260125 /nfs/dbraw/zinc/26/01/25/173260125.db2.gz PNCVNBQFRPOKQM-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[N@@H+](CCOc1ccc(Cl)cc1)C1CCNCC1 ZINC000037539175 173260126 /nfs/dbraw/zinc/26/01/26/173260126.db2.gz PNCVNBQFRPOKQM-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1ccco1)CN1CCCCC1 ZINC000038041956 174044443 /nfs/dbraw/zinc/04/44/43/174044443.db2.gz GZYQTEVHSGHCJR-CVEARBPZSA-N 1 3 278.440 3.312 20 0 CGADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc2c(c1)CCO2 ZINC000038098201 174113794 /nfs/dbraw/zinc/11/37/94/174113794.db2.gz KTPWOKCBZYYHGZ-QGZVFWFLSA-N 1 3 288.435 3.147 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000441356591 287299693 /nfs/dbraw/zinc/29/96/93/287299693.db2.gz MIHSGMRNUKBORQ-KURKYZTESA-N 1 3 296.499 3.388 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000441356591 287299696 /nfs/dbraw/zinc/29/96/96/287299696.db2.gz MIHSGMRNUKBORQ-KURKYZTESA-N 1 3 296.499 3.388 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2cccc(F)c2F)CCCC1 ZINC000423081835 298962876 /nfs/dbraw/zinc/96/28/76/298962876.db2.gz VRZIGXYRNYIFAC-STQMWFEESA-N 1 3 296.405 3.492 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCN)c1ccccc1 ZINC000404341829 416551302 /nfs/dbraw/zinc/55/13/02/416551302.db2.gz FIVLCEXHXOTYOM-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CCN)c1ccccc1 ZINC000404341829 416551304 /nfs/dbraw/zinc/55/13/04/416551304.db2.gz FIVLCEXHXOTYOM-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CCOc1ccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404309925 416552485 /nfs/dbraw/zinc/55/24/85/416552485.db2.gz JXPHUUVEHFUOEQ-YOEHRIQHSA-N 1 3 276.424 3.035 20 0 CGADHO CC[C@@H]1CN(Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000122254227 416503488 /nfs/dbraw/zinc/50/34/88/416503488.db2.gz MMCJBOFTLCFYRN-QAPCUYQASA-N 1 3 268.404 3.399 20 0 CGADHO CC[C@H]1CN(Cc2c(C)oc3ccccc32)CC[C@@H]1[NH3+] ZINC000123598942 416506645 /nfs/dbraw/zinc/50/66/45/416506645.db2.gz LGZRFDDFMKETSM-BBRMVZONSA-N 1 3 272.392 3.300 20 0 CGADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000130216045 287347417 /nfs/dbraw/zinc/34/74/17/287347417.db2.gz VWWYOBPQKZLHPE-YYIAUSFCSA-N 1 3 262.441 3.172 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000680352967 543702617 /nfs/dbraw/zinc/70/26/17/543702617.db2.gz WJYSBHCOFKTXJH-WDSOQIARSA-N 1 3 284.447 3.429 20 0 CGADHO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493818 543791956 /nfs/dbraw/zinc/79/19/56/543791956.db2.gz MPXVMSMUGUBYRD-CRAIPNDOSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493818 543791959 /nfs/dbraw/zinc/79/19/59/543791959.db2.gz MPXVMSMUGUBYRD-CRAIPNDOSA-N 1 3 290.451 3.247 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000681755449 543806622 /nfs/dbraw/zinc/80/66/22/543806622.db2.gz VDUKZQYEZIZZOH-SJLPKXTDSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000681755449 543806625 /nfs/dbraw/zinc/80/66/25/543806625.db2.gz VDUKZQYEZIZZOH-SJLPKXTDSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H]1CC[C@@H](CN2CCC(C[NH+]3CCCCCC3)CC2)O1 ZINC000682755275 543865209 /nfs/dbraw/zinc/86/52/09/543865209.db2.gz FBDWJVZZCBRSHA-AEFFLSMTSA-N 1 3 294.483 3.142 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000683816153 543944551 /nfs/dbraw/zinc/94/45/51/543944551.db2.gz LMNZSMIEDKPYII-LZLYRXPVSA-N 1 3 290.451 3.084 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000683816153 543944552 /nfs/dbraw/zinc/94/45/52/543944552.db2.gz LMNZSMIEDKPYII-LZLYRXPVSA-N 1 3 290.451 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)CC1 ZINC000683841387 543948014 /nfs/dbraw/zinc/94/80/14/543948014.db2.gz OFYIKARZPCGLPX-GOSISDBHSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)CC1 ZINC000683841387 543948017 /nfs/dbraw/zinc/94/80/17/543948017.db2.gz OFYIKARZPCGLPX-GOSISDBHSA-N 1 3 283.419 3.151 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C\c2ccccc2)C1 ZINC000685470890 544078352 /nfs/dbraw/zinc/07/83/52/544078352.db2.gz ZXVORFREIFDGQP-MEDMHYDHSA-N 1 3 270.420 3.116 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C\c2ccccc2)C1 ZINC000685470890 544078353 /nfs/dbraw/zinc/07/83/53/544078353.db2.gz ZXVORFREIFDGQP-MEDMHYDHSA-N 1 3 270.420 3.116 20 0 CGADHO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471205 544078888 /nfs/dbraw/zinc/07/88/88/544078888.db2.gz XAXRCKSJVZUJDD-WBVHZDCISA-N 1 3 290.451 3.390 20 0 CGADHO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471205 544078891 /nfs/dbraw/zinc/07/88/91/544078891.db2.gz XAXRCKSJVZUJDD-WBVHZDCISA-N 1 3 290.451 3.390 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471131 544079087 /nfs/dbraw/zinc/07/90/87/544079087.db2.gz OENQQBFXLXFPFV-IEBWSBKVSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471131 544079088 /nfs/dbraw/zinc/07/90/88/544079088.db2.gz OENQQBFXLXFPFV-IEBWSBKVSA-N 1 3 284.447 3.480 20 0 CGADHO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000684932526 544041598 /nfs/dbraw/zinc/04/15/98/544041598.db2.gz ZSIFESWLVRPNCR-DOTOQJQBSA-N 1 3 290.451 3.153 20 0 CGADHO c1cc2c(ccnc2N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000664404100 418952497 /nfs/dbraw/zinc/95/24/97/418952497.db2.gz UYHBRQCOLDFSDO-CYBMUJFWSA-N 1 3 284.407 3.382 20 0 CGADHO c1cc2c(ccnc2N[C@@H]2CC[N@H+](C3CCCCC3)C2)[nH]1 ZINC000664404100 418952500 /nfs/dbraw/zinc/95/25/00/418952500.db2.gz UYHBRQCOLDFSDO-CYBMUJFWSA-N 1 3 284.407 3.382 20 0 CGADHO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000665238182 419088791 /nfs/dbraw/zinc/08/87/91/419088791.db2.gz SKPIDJBPOUASCI-ZJIFWQFVSA-N 1 3 252.446 3.323 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc2occc2c1 ZINC000665238491 419089260 /nfs/dbraw/zinc/08/92/60/419089260.db2.gz ZNDGCAGEOYJDLA-CABCVRRESA-N 1 3 258.365 3.040 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1(N)CCCC1 ZINC000665246516 419090984 /nfs/dbraw/zinc/09/09/84/419090984.db2.gz HDIGHCDJGXRGNI-INIZCTEOSA-N 1 3 288.435 3.279 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000665246355 419091100 /nfs/dbraw/zinc/09/11/00/419091100.db2.gz CNVNVCXWMKDJSX-CVEARBPZSA-N 1 3 287.451 3.277 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1cccc(OC)c1 ZINC000665248959 419091584 /nfs/dbraw/zinc/09/15/84/419091584.db2.gz GOIHSDLWMVSFQN-OAHLLOKOSA-N 1 3 262.397 3.007 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665249090 419091982 /nfs/dbraw/zinc/09/19/82/419091982.db2.gz JNGNYGHKMLMBTP-CQSZACIVSA-N 1 3 276.424 3.398 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCCC1)c1ccc2c(c1)CCC2 ZINC000665248690 419092526 /nfs/dbraw/zinc/09/25/26/419092526.db2.gz ACNRUZODDHXGFC-CYBMUJFWSA-N 1 3 258.409 3.097 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665274511 419098345 /nfs/dbraw/zinc/09/83/45/419098345.db2.gz RYMYOAUIIKOHPA-RHQZKXFESA-N 1 3 284.447 3.443 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2NCC[C@@H]([NH3+])C(C)C ZINC000665279892 419100881 /nfs/dbraw/zinc/10/08/81/419100881.db2.gz OMVFDFWLJNZRHU-IAGOWNOFSA-N 1 3 276.424 3.036 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283430 419102712 /nfs/dbraw/zinc/10/27/12/419102712.db2.gz NOHMGFIDUYJTGL-GYTBAZASSA-N 1 3 250.430 3.062 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CS1 ZINC000655683664 419063783 /nfs/dbraw/zinc/06/37/83/419063783.db2.gz UGRFMMGLDRKPQR-NWDGAFQWSA-N 1 3 270.486 3.169 20 0 CGADHO C[C@H]1CC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CS1 ZINC000655683664 419063787 /nfs/dbraw/zinc/06/37/87/419063787.db2.gz UGRFMMGLDRKPQR-NWDGAFQWSA-N 1 3 270.486 3.169 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196941 419148317 /nfs/dbraw/zinc/14/83/17/419148317.db2.gz YRRBLCPZARISPP-ZIAGYGMSSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196941 419148321 /nfs/dbraw/zinc/14/83/21/419148321.db2.gz YRRBLCPZARISPP-ZIAGYGMSSA-N 1 3 286.341 3.107 20 0 CGADHO CC[C@H](OCCN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656193240 419148353 /nfs/dbraw/zinc/14/83/53/419148353.db2.gz BMYAKLNNKBCTPG-ULQDDVLXSA-N 1 3 276.424 3.014 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccccc2C(F)(F)F)C1 ZINC000656193189 419148532 /nfs/dbraw/zinc/14/85/32/419148532.db2.gz YQFZMWVPSNGNAG-CHWSQXEVSA-N 1 3 286.341 3.107 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC000656193189 419148534 /nfs/dbraw/zinc/14/85/34/419148534.db2.gz YQFZMWVPSNGNAG-CHWSQXEVSA-N 1 3 286.341 3.107 20 0 CGADHO CSc1ccccc1[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000656198731 419149046 /nfs/dbraw/zinc/14/90/46/419149046.db2.gz FTFIIBLVZZGPJL-AGIUHOORSA-N 1 3 264.438 3.329 20 0 CGADHO C[NH2+]CCC1CCN(CCCc2c(F)cccc2F)CC1 ZINC000655938039 419127591 /nfs/dbraw/zinc/12/75/91/419127591.db2.gz JWNPLONPLMPHFL-UHFFFAOYSA-N 1 3 296.405 3.219 20 0 CGADHO CC[C@@H](c1ccccc1)N1CC2CCC1(C[NH3+])CC2 ZINC000655943608 419128702 /nfs/dbraw/zinc/12/87/02/419128702.db2.gz RMDAGYCDMLMTBI-WIHSUSGWSA-N 1 3 258.409 3.341 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657335404 419253705 /nfs/dbraw/zinc/25/37/05/419253705.db2.gz PRAIOMCBFWLVQK-ZDUSSCGKSA-N 1 3 289.448 3.116 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCCSc1cccc(Cl)c1 ZINC000662247816 419373456 /nfs/dbraw/zinc/37/34/56/419373456.db2.gz LQXQOELVUOEARH-AWEZNQCLSA-N 1 3 286.872 3.395 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]CC[C@@H](N)C(C)C)c1 ZINC000663502757 419640993 /nfs/dbraw/zinc/64/09/93/419640993.db2.gz LKSQJFFFHXABAQ-DOTOQJQBSA-N 1 3 262.441 3.279 20 0 CGADHO Cc1cccc(CC[C@H](C)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000663502757 419640999 /nfs/dbraw/zinc/64/09/99/419640999.db2.gz LKSQJFFFHXABAQ-DOTOQJQBSA-N 1 3 262.441 3.279 20 0 CGADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccco1 ZINC000658169172 419636366 /nfs/dbraw/zinc/63/63/66/419636366.db2.gz ZSPHSXHPEQGIOX-HNNXBMFYSA-N 1 3 299.418 3.237 20 0 CGADHO CC(C)[C@H](N)CC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000663502038 419637226 /nfs/dbraw/zinc/63/72/26/419637226.db2.gz DLLJAYOCQSEART-DLBZAZTESA-N 1 3 262.441 3.389 20 0 CGADHO CC(C)[C@H]([NH3+])CCNC[C@H](c1ccccc1)C(C)C ZINC000663502038 419637232 /nfs/dbraw/zinc/63/72/32/419637232.db2.gz DLLJAYOCQSEART-DLBZAZTESA-N 1 3 262.441 3.389 20 0 CGADHO CC(C)(C)OC1CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663470263 419627742 /nfs/dbraw/zinc/62/77/42/419627742.db2.gz UGONSIBRAISECX-GTPINHCMSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)OC1CC(NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663470263 419627752 /nfs/dbraw/zinc/62/77/52/419627752.db2.gz UGONSIBRAISECX-GTPINHCMSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)OC1CC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663470263 419627761 /nfs/dbraw/zinc/62/77/61/419627761.db2.gz UGONSIBRAISECX-GTPINHCMSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663503680 419641268 /nfs/dbraw/zinc/64/12/68/419641268.db2.gz SCKCIYDEBALGQP-CQSZACIVSA-N 1 3 254.805 3.111 20 0 CGADHO CC[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000658235872 419692305 /nfs/dbraw/zinc/69/23/05/419692305.db2.gz SDIZTYJSXAZOAD-KBXCAEBGSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000658292856 419742787 /nfs/dbraw/zinc/74/27/87/419742787.db2.gz NNFKCAYDQORKPR-OAHLLOKOSA-N 1 3 288.435 3.388 20 0 CGADHO COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC000390836237 262350484 /nfs/dbraw/zinc/35/04/84/262350484.db2.gz YDHFYKDYQNAYLH-JZIBPQBNSA-N 1 3 292.398 3.110 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCCCC1 ZINC000189272875 264286466 /nfs/dbraw/zinc/28/64/66/264286466.db2.gz WUXYIHBFIQHCTJ-SJORKVTESA-N 1 3 296.499 3.436 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181189 270067935 /nfs/dbraw/zinc/06/79/35/270067935.db2.gz YJIHWDSOQFSJPK-OALUTQOASA-N 1 3 286.463 3.425 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181189 270067936 /nfs/dbraw/zinc/06/79/36/270067936.db2.gz YJIHWDSOQFSJPK-OALUTQOASA-N 1 3 286.463 3.425 20 0 CGADHO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000246280761 270091215 /nfs/dbraw/zinc/09/12/15/270091215.db2.gz AIOVGIMULXIXBF-NUEKZKHPSA-N 1 3 276.424 3.219 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527652632 270131090 /nfs/dbraw/zinc/13/10/90/270131090.db2.gz GJPHTRDGVRIOKY-JHNDHUHGSA-N 1 3 264.457 3.131 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@@H]1CC12CC2 ZINC000527888062 270142282 /nfs/dbraw/zinc/14/22/82/270142282.db2.gz QHGWQRPDJFCDOY-HWMZRRJGSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529546102 270183652 /nfs/dbraw/zinc/18/36/52/270183652.db2.gz UDTHYCZIZVUNLR-UONOGXRCSA-N 1 3 288.426 3.378 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000530221237 270196500 /nfs/dbraw/zinc/19/65/00/270196500.db2.gz OMZDAZBLIVRBJQ-BFVZDQMLSA-N 1 3 252.789 3.043 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530215482 270195633 /nfs/dbraw/zinc/19/56/33/270195633.db2.gz GPJQELJQTSNZMB-IXDOHACOSA-N 1 3 299.462 3.290 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CCNC34CCC4)C2)cc1 ZINC000530214861 270195909 /nfs/dbraw/zinc/19/59/09/270195909.db2.gz DGOJVTHSECGBQF-KSZLIROESA-N 1 3 284.447 3.272 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+][C@@H]2CCNC23CCC3)C2CC2)cc1 ZINC000530222087 270196636 /nfs/dbraw/zinc/19/66/36/270196636.db2.gz QEVTYBFHIBGUNF-QZTJIDSGSA-N 1 3 284.447 3.190 20 0 CGADHO CCc1noc(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531815770 270210057 /nfs/dbraw/zinc/21/00/57/270210057.db2.gz NCEGZLIRKQTBOM-UHFFFAOYSA-N 1 3 293.455 3.098 20 0 CGADHO CCc1noc(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531815770 270210058 /nfs/dbraw/zinc/21/00/58/270210058.db2.gz NCEGZLIRKQTBOM-UHFFFAOYSA-N 1 3 293.455 3.098 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000423561118 275068034 /nfs/dbraw/zinc/06/80/34/275068034.db2.gz PTJUBZBYXSVIDW-WBVHZDCISA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261573190 276025273 /nfs/dbraw/zinc/02/52/73/276025273.db2.gz VAOZEADIJPKRRH-DOTOQJQBSA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261573190 276025275 /nfs/dbraw/zinc/02/52/75/276025275.db2.gz VAOZEADIJPKRRH-DOTOQJQBSA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@H](c1ccccc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261573190 276025277 /nfs/dbraw/zinc/02/52/77/276025277.db2.gz VAOZEADIJPKRRH-DOTOQJQBSA-N 1 3 260.425 3.315 20 0 CGADHO CC1(C)C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000177944642 276148725 /nfs/dbraw/zinc/14/87/25/276148725.db2.gz SVLPJDIABDGMNU-KDOFPFPSSA-N 1 3 284.447 3.483 20 0 CGADHO CC1(C)C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944642 276148727 /nfs/dbraw/zinc/14/87/27/276148727.db2.gz SVLPJDIABDGMNU-KDOFPFPSSA-N 1 3 284.447 3.483 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H]2CCCc3occc32)CC1 ZINC000192904078 276148742 /nfs/dbraw/zinc/14/87/42/276148742.db2.gz SBNBXTUMBYQOGH-MRXNPFEDSA-N 1 3 276.424 3.369 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353953588 276395794 /nfs/dbraw/zinc/39/57/94/276395794.db2.gz GHLCHKNANUOYKJ-NWDGAFQWSA-N 1 3 278.362 3.039 20 0 CGADHO CC[N@H+]1CC[C@@H](NCC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353953588 276395795 /nfs/dbraw/zinc/39/57/95/276395795.db2.gz GHLCHKNANUOYKJ-NWDGAFQWSA-N 1 3 278.362 3.039 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414937199 276574122 /nfs/dbraw/zinc/57/41/22/276574122.db2.gz ZYAFIKHTIMPILP-GVDBMIGSSA-N 1 3 260.425 3.176 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414952025 276574477 /nfs/dbraw/zinc/57/44/77/276574477.db2.gz QKPNUEWDSNIOFD-UAGQMJEPSA-N 1 3 260.425 3.046 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266785 277068426 /nfs/dbraw/zinc/06/84/26/277068426.db2.gz GCJVZGMOELFZBD-SJORKVTESA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]21 ZINC000483266785 277068427 /nfs/dbraw/zinc/06/84/27/277068427.db2.gz GCJVZGMOELFZBD-SJORKVTESA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266781 277083673 /nfs/dbraw/zinc/08/36/73/277083673.db2.gz GCJVZGMOELFZBD-DLBZAZTESA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266781 277083674 /nfs/dbraw/zinc/08/36/74/277083674.db2.gz GCJVZGMOELFZBD-DLBZAZTESA-N 1 3 264.457 3.373 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135547 277158097 /nfs/dbraw/zinc/15/80/97/277158097.db2.gz RFBWBJDIRAGWAA-SJLPKXTDSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135547 277158098 /nfs/dbraw/zinc/15/80/98/277158098.db2.gz RFBWBJDIRAGWAA-SJLPKXTDSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135547 277158099 /nfs/dbraw/zinc/15/80/99/277158099.db2.gz RFBWBJDIRAGWAA-SJLPKXTDSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135547 277158100 /nfs/dbraw/zinc/15/81/00/277158100.db2.gz RFBWBJDIRAGWAA-SJLPKXTDSA-N 1 3 295.430 3.151 20 0 CGADHO CNC[C@@H]1CC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414664331 277280062 /nfs/dbraw/zinc/28/00/62/277280062.db2.gz CDYISNJMAIAQMQ-RYQLBKOJSA-N 1 3 272.436 3.038 20 0 CGADHO CNC[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414664331 277280064 /nfs/dbraw/zinc/28/00/64/277280064.db2.gz CDYISNJMAIAQMQ-RYQLBKOJSA-N 1 3 272.436 3.038 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423386661 277798133 /nfs/dbraw/zinc/79/81/33/277798133.db2.gz MGILFFHBMXTCKQ-WVZRYYJFSA-N 1 3 258.409 3.485 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)Cc1ccccc1 ZINC000423069757 277897895 /nfs/dbraw/zinc/89/78/95/277897895.db2.gz LZSMBQFELPXLCW-NZSAHSFTSA-N 1 3 288.479 3.479 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CCCC2CCCCC2)C1 ZINC000395119498 288006003 /nfs/dbraw/zinc/00/60/03/288006003.db2.gz STLDLNQMJMMSSY-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO CC1(C)CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090714594 278201299 /nfs/dbraw/zinc/20/12/99/278201299.db2.gz VWHUUTYKRHFOGL-LSDHHAIUSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC12CCCC2)CN1CCCCC1 ZINC000474048994 278210515 /nfs/dbraw/zinc/21/05/15/278210515.db2.gz ZBTUJKMWKZKMFK-CVEARBPZSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422815080 278264181 /nfs/dbraw/zinc/26/41/81/278264181.db2.gz ASUWNAIDGOBKOU-LOWDOPEQSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422815080 278264183 /nfs/dbraw/zinc/26/41/83/278264183.db2.gz ASUWNAIDGOBKOU-LOWDOPEQSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000472598929 278298082 /nfs/dbraw/zinc/29/80/82/278298082.db2.gz MSFSGMUDWARNJD-KRWDZBQOSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@H+]1CCCC12CCN(C)CC2 ZINC000472598929 278298083 /nfs/dbraw/zinc/29/80/83/278298083.db2.gz MSFSGMUDWARNJD-KRWDZBQOSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCNc1ccccc1 ZINC000422756085 278311614 /nfs/dbraw/zinc/31/16/14/278311614.db2.gz LFRNSBZDWXJSAW-VQIMIIECSA-N 1 3 297.446 3.037 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccncc1 ZINC000358719119 288035205 /nfs/dbraw/zinc/03/52/05/288035205.db2.gz IZIBJZHXIFFJCQ-INIZCTEOSA-N 1 3 275.440 3.385 20 0 CGADHO C[C@H]1CCC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423521686 278348256 /nfs/dbraw/zinc/34/82/56/278348256.db2.gz GMDJQGCAIWGTDI-NGHVJFNESA-N 1 3 276.468 3.308 20 0 CGADHO CC(C)[N@H+](C)CCCNC1CC(C)(c2ccccc2)C1 ZINC000459383569 288086371 /nfs/dbraw/zinc/08/63/71/288086371.db2.gz GFFUOOPKJJCEHT-UHFFFAOYSA-N 1 3 274.452 3.427 20 0 CGADHO CC(C)[N@@H+](C)CCCNC1CC(C)(c2ccccc2)C1 ZINC000459383569 288086373 /nfs/dbraw/zinc/08/63/73/288086373.db2.gz GFFUOOPKJJCEHT-UHFFFAOYSA-N 1 3 274.452 3.427 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459383569 288086374 /nfs/dbraw/zinc/08/63/74/288086374.db2.gz GFFUOOPKJJCEHT-UHFFFAOYSA-N 1 3 274.452 3.427 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000423276567 288088095 /nfs/dbraw/zinc/08/80/95/288088095.db2.gz OPHKFBRLSZZGHB-BPUTZDHNSA-N 1 3 264.388 3.384 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNCc1ccncc1 ZINC000020129477 279138992 /nfs/dbraw/zinc/13/89/92/279138992.db2.gz CJIMIJNCYUZTEB-UHFFFAOYSA-N 1 3 283.419 3.213 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H](C)C(C)(C)c1ccccc1 ZINC000415087286 279180478 /nfs/dbraw/zinc/18/04/78/279180478.db2.gz SRUVYUWUPLDXBW-ZBFHGGJFSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCCS1 ZINC000251209849 279371557 /nfs/dbraw/zinc/37/15/57/279371557.db2.gz MFWPHTUFGZMUNB-RBSFLKMASA-N 1 3 270.486 3.173 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000093215514 279537171 /nfs/dbraw/zinc/53/71/71/279537171.db2.gz LLDBEDBLOOXQFK-BPNCWPANSA-N 1 3 297.240 3.370 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC23CCC3)C[C@H](C)O1 ZINC000449103910 288161614 /nfs/dbraw/zinc/16/16/14/288161614.db2.gz SNHSLYNMYGSFTD-BBWFWOEESA-N 1 3 294.483 3.188 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527325348 288166427 /nfs/dbraw/zinc/16/64/27/288166427.db2.gz XXEDOHMBGNMJHY-QAPCUYQASA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000527325348 288166430 /nfs/dbraw/zinc/16/64/30/288166430.db2.gz XXEDOHMBGNMJHY-QAPCUYQASA-N 1 3 274.452 3.411 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)CN1CCCCC1 ZINC000527641131 288179456 /nfs/dbraw/zinc/17/94/56/288179456.db2.gz KXUHUESJNIEDQH-OHFALNGGSA-N 1 3 264.457 3.133 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000422745524 280183390 /nfs/dbraw/zinc/18/33/90/280183390.db2.gz VIVFDIRWSGXEQT-YOEHRIQHSA-N 1 3 285.435 3.310 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534204 280414796 /nfs/dbraw/zinc/41/47/96/280414796.db2.gz ZPEHIMZPJUHKES-RFIAZXKJSA-N 1 3 276.468 3.164 20 0 CGADHO CC(C)c1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422687622 280623048 /nfs/dbraw/zinc/62/30/48/280623048.db2.gz BOVXPDVZUMHLQC-LBTBCDHLSA-N 1 3 290.451 3.213 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530208607 288299776 /nfs/dbraw/zinc/29/97/76/288299776.db2.gz FWTJSBFFJUADFW-UHDSXZAQSA-N 1 3 290.838 3.228 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530179294 288296375 /nfs/dbraw/zinc/29/63/75/288296375.db2.gz SIVGIKGMVISKCN-RDJZCZTQSA-N 1 3 272.436 3.190 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCNC23CCC3)c1 ZINC000530179780 288296453 /nfs/dbraw/zinc/29/64/53/288296453.db2.gz XGNDWQLFBXXFFF-NVXWUHKLSA-N 1 3 272.436 3.190 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407904 288324856 /nfs/dbraw/zinc/32/48/56/288324856.db2.gz WMPYUZJAMSXLLN-SRCQZFHVSA-N 1 3 283.419 3.133 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407904 288324857 /nfs/dbraw/zinc/32/48/57/288324857.db2.gz WMPYUZJAMSXLLN-SRCQZFHVSA-N 1 3 283.419 3.133 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000531702537 288341143 /nfs/dbraw/zinc/34/11/43/288341143.db2.gz IMKPBRKSCORRGQ-OAGGEKHMSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000532198149 288354803 /nfs/dbraw/zinc/35/48/03/288354803.db2.gz GRKXFGIWIVDEAV-SJORKVTESA-N 1 3 260.425 3.417 20 0 CGADHO CC[C@H]([NH2+]CCCN1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000532202551 288355058 /nfs/dbraw/zinc/35/50/58/288355058.db2.gz ADFXIBSGKOSBDE-BQFCYCMXSA-N 1 3 296.499 3.149 20 0 CGADHO CC[C@@H]([NH2+]CCCN(C(C)C)C(C)C)C1CCOCC1 ZINC000532239605 288357384 /nfs/dbraw/zinc/35/73/84/288357384.db2.gz FQYWIKYMZVJFKE-QGZVFWFLSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459616 288362408 /nfs/dbraw/zinc/36/24/08/288362408.db2.gz PXIXUGFKIPGRJF-XHSDSOJGSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459616 288362410 /nfs/dbraw/zinc/36/24/10/288362410.db2.gz PXIXUGFKIPGRJF-XHSDSOJGSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459616 288362413 /nfs/dbraw/zinc/36/24/13/288362413.db2.gz PXIXUGFKIPGRJF-XHSDSOJGSA-N 1 3 296.499 3.290 20 0 CGADHO CN(CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CCCCC1 ZINC000549041721 289033758 /nfs/dbraw/zinc/03/37/58/289033758.db2.gz SCPORKNCIXRTME-UAGQMJEPSA-N 1 3 264.457 3.419 20 0 CGADHO CCc1nc2ccccc2c(N2CC[C@H](C[NH+](C)C)C2)c1C ZINC000549176756 289036947 /nfs/dbraw/zinc/03/69/47/289036947.db2.gz MJSVQSHBYSSDJH-OAHLLOKOSA-N 1 3 297.446 3.494 20 0 CGADHO CC1=CC[C@H]([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000552102406 289163276 /nfs/dbraw/zinc/16/32/76/289163276.db2.gz DKLIPVPTCRPIFL-KRWDZBQOSA-N 1 3 288.435 3.215 20 0 CGADHO C[C@@H](N[C@H]1C[C@@H]1C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376195 289278684 /nfs/dbraw/zinc/27/86/84/289278684.db2.gz IVGCDTFPXBVXHM-OJLVUWQFSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@@H](N[C@H]1C[C@@H]1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376195 289278685 /nfs/dbraw/zinc/27/86/85/289278685.db2.gz IVGCDTFPXBVXHM-OJLVUWQFSA-N 1 3 294.389 3.140 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC=C(C)C ZINC000554739441 289307003 /nfs/dbraw/zinc/30/70/03/289307003.db2.gz YIVJTTUXEMRASC-JKSUJKDBSA-N 1 3 252.446 3.443 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC000554739441 289307007 /nfs/dbraw/zinc/30/70/07/289307007.db2.gz YIVJTTUXEMRASC-JKSUJKDBSA-N 1 3 252.446 3.443 20 0 CGADHO CC(C)COc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000554875259 289316017 /nfs/dbraw/zinc/31/60/17/289316017.db2.gz VPLRYKJKDMXAPZ-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO CC(C)COc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000554875259 289316019 /nfs/dbraw/zinc/31/60/19/289316019.db2.gz VPLRYKJKDMXAPZ-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000556587116 289399289 /nfs/dbraw/zinc/39/92/89/289399289.db2.gz UXYHKVHJHDQKRD-IBGZPJMESA-N 1 3 286.463 3.392 20 0 CGADHO CN(CCCC[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422746571 289618146 /nfs/dbraw/zinc/61/81/46/289618146.db2.gz ZVHPFLOJGFHATC-WMZOPIPTSA-N 1 3 289.467 3.010 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000422708529 289733717 /nfs/dbraw/zinc/73/37/17/289733717.db2.gz JAJWLNBDXHZMQX-ZENOOKHLSA-N 1 3 296.430 3.335 20 0 CGADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000562960395 289747434 /nfs/dbraw/zinc/74/74/34/289747434.db2.gz QGWAHKQAVFWXSA-HRCADAONSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC1(C)C ZINC000487310270 289938749 /nfs/dbraw/zinc/93/87/49/289938749.db2.gz QNCGLAKEXSNLBL-BBRMVZONSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000093977920 290019496 /nfs/dbraw/zinc/01/94/96/290019496.db2.gz SLXCHFGPCNHDJT-NUEKZKHPSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000423042450 293261582 /nfs/dbraw/zinc/26/15/82/293261582.db2.gz ZGDUEOUXPBOJQE-SFDCQRBFSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000423388222 297108121 /nfs/dbraw/zinc/10/81/21/297108121.db2.gz IIJICJGGNPEDIT-BGTYHANMSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699296 297252857 /nfs/dbraw/zinc/25/28/57/297252857.db2.gz FBKRGROYUVMCGS-CABCVRRESA-N 1 3 282.497 3.126 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039925 297286438 /nfs/dbraw/zinc/28/64/38/297286438.db2.gz GDBUPWIPKGRBSL-JKIFEVAISA-N 1 3 273.424 3.006 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039925 297286439 /nfs/dbraw/zinc/28/64/39/297286439.db2.gz GDBUPWIPKGRBSL-JKIFEVAISA-N 1 3 273.424 3.006 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CNCCCO1 ZINC000423490633 302125678 /nfs/dbraw/zinc/12/56/78/302125678.db2.gz IISQEHLOHSGIFP-FUHWJXTLSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000347006387 302168452 /nfs/dbraw/zinc/16/84/52/302168452.db2.gz QAOMOXUZOPUMKE-YESZJQIVSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000347006387 302168455 /nfs/dbraw/zinc/16/84/55/302168455.db2.gz QAOMOXUZOPUMKE-YESZJQIVSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000422869482 302588410 /nfs/dbraw/zinc/58/84/10/302588410.db2.gz AGYQGQLKBYRNSM-CJNGLKHVSA-N 1 3 275.440 3.468 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422820717 303399949 /nfs/dbraw/zinc/39/99/49/303399949.db2.gz RZNFTPJILZTMJR-XUXIUFHCSA-N 1 3 292.389 3.462 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000422998229 303400775 /nfs/dbraw/zinc/40/07/75/303400775.db2.gz WABTUJXAMUOWED-OWSLCNJRSA-N 1 3 272.436 3.430 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422876672 303427285 /nfs/dbraw/zinc/42/72/85/303427285.db2.gz GHBCQWLWDVVDIM-RHSMWYFYSA-N 1 3 290.426 3.355 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2C[NH2+][C@@H]2CCCNCC2)cc1 ZINC000423152737 304855493 /nfs/dbraw/zinc/85/54/93/304855493.db2.gz FLMPMRPAUYPSCZ-KSZLIROESA-N 1 3 272.436 3.302 20 0 CGADHO CSc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000563135541 321979581 /nfs/dbraw/zinc/97/95/81/321979581.db2.gz PRXCKMWRHLLJDR-UHFFFAOYSA-N 1 3 272.417 3.157 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000563304901 321989985 /nfs/dbraw/zinc/98/99/85/321989985.db2.gz WOWCHJBAKXJITG-RHSMWYFYSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000564973568 322052203 /nfs/dbraw/zinc/05/22/03/322052203.db2.gz LSDAUTQGUVAPMG-ZWKOTPCHSA-N 1 3 292.442 3.324 20 0 CGADHO Cc1cc(Cl)cc(C)c1CNCCC[NH+]1CCC1 ZINC000565214513 322066514 /nfs/dbraw/zinc/06/65/14/322066514.db2.gz HBHDTLHJPHRGMX-UHFFFAOYSA-N 1 3 266.816 3.142 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)CCCCC1 ZINC000566555672 322129564 /nfs/dbraw/zinc/12/95/64/322129564.db2.gz IXUOABJFMFELQA-NVXWUHKLSA-N 1 3 287.451 3.359 20 0 CGADHO COc1cc(C)ccc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000566967620 322144789 /nfs/dbraw/zinc/14/47/89/322144789.db2.gz SDUWNYCKSVWITO-OFQRWUPVSA-N 1 3 276.424 3.172 20 0 CGADHO CCc1cccc(C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000567618763 322170914 /nfs/dbraw/zinc/17/09/14/322170914.db2.gz XDLFWLLTUDVFJM-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2cccc(Cl)c2Cl)C1 ZINC000568248542 322200700 /nfs/dbraw/zinc/20/07/00/322200700.db2.gz UIDCFEPGOSEPSE-NWDGAFQWSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC000568248542 322200701 /nfs/dbraw/zinc/20/07/01/322200701.db2.gz UIDCFEPGOSEPSE-NWDGAFQWSA-N 1 3 287.234 3.395 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000568451013 322209410 /nfs/dbraw/zinc/20/94/10/322209410.db2.gz BYEDBKLNBQYMCQ-KLZNWCGWSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000568451013 322209411 /nfs/dbraw/zinc/20/94/11/322209411.db2.gz BYEDBKLNBQYMCQ-KLZNWCGWSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCc1ccc(Cl)cc1 ZINC000569136316 322236588 /nfs/dbraw/zinc/23/65/88/322236588.db2.gz CFJFAUOVXHVFIQ-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1cccc(Cl)c1Cl ZINC000569713665 322255046 /nfs/dbraw/zinc/25/50/46/322255046.db2.gz YWGJQXIZCQRWPI-ZJUUUORDSA-N 1 3 291.222 3.088 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000571394844 322297500 /nfs/dbraw/zinc/29/75/00/322297500.db2.gz POHUOXNHCPBNPY-XYPHTWIQSA-N 1 3 294.389 3.018 20 0 CGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1sccc1Br ZINC000583375713 327332268 /nfs/dbraw/zinc/33/22/68/327332268.db2.gz SGKQWXFALGXXHR-DTWKUNHWSA-N 1 3 291.258 3.289 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000583138101 329325603 /nfs/dbraw/zinc/32/56/03/329325603.db2.gz QAXVFCFBMAKUNA-DGXTUMSLSA-N 1 3 250.430 3.205 20 0 CGADHO CC(C)N1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000191639484 330347301 /nfs/dbraw/zinc/34/73/01/330347301.db2.gz OBBYTSKLESAMPN-KRWDZBQOSA-N 1 3 288.435 3.232 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000174629774 335161071 /nfs/dbraw/zinc/16/10/71/335161071.db2.gz CZTQLOLAELTVPC-WBVHZDCISA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@H](C)C1 ZINC000174629774 335161072 /nfs/dbraw/zinc/16/10/72/335161072.db2.gz CZTQLOLAELTVPC-WBVHZDCISA-N 1 3 260.425 3.123 20 0 CGADHO CCCC[C@H](CC)C[NH+]1CCC(CO)(NCC2CC2)CC1 ZINC000577378160 335345005 /nfs/dbraw/zinc/34/50/05/335345005.db2.gz MLHXQUPDTDJQNI-INIZCTEOSA-N 1 3 296.499 3.029 20 0 CGADHO C[NH+](C)[C@@H](CNc1ccnc2ccccc21)c1ccccc1 ZINC000577490881 335358469 /nfs/dbraw/zinc/35/84/69/335358469.db2.gz PNIPSMCFWXNDDC-IBGZPJMESA-N 1 3 291.398 3.372 20 0 CGADHO COCCCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000577509220 335362227 /nfs/dbraw/zinc/36/22/27/335362227.db2.gz BNZDQOXIFQNNKL-KSZLIROESA-N 1 3 290.451 3.404 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@H]1CCCNC1 ZINC000578518469 335644130 /nfs/dbraw/zinc/64/41/30/335644130.db2.gz FSTVIDFAKYAQPF-DKIMLUQUSA-N 1 3 272.436 3.158 20 0 CGADHO CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000578750021 335669693 /nfs/dbraw/zinc/66/96/93/335669693.db2.gz XNMIJKTYRXUJIF-KBXCAEBGSA-N 1 3 284.403 3.011 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000581191143 336021913 /nfs/dbraw/zinc/02/19/13/336021913.db2.gz MLRPKSBGDUOAMV-FUHWJXTLSA-N 1 3 292.442 3.324 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000581191143 336021914 /nfs/dbraw/zinc/02/19/14/336021914.db2.gz MLRPKSBGDUOAMV-FUHWJXTLSA-N 1 3 292.442 3.324 20 0 CGADHO Clc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000381918227 336077276 /nfs/dbraw/zinc/07/72/76/336077276.db2.gz ULSHOLAREHJRNA-BETUJISGSA-N 1 3 299.245 3.425 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccsc1 ZINC000382168331 336083604 /nfs/dbraw/zinc/08/36/04/336083604.db2.gz VTNQRWGYVIDMTH-XBFCOCLRSA-N 1 3 252.427 3.272 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000382168331 336083605 /nfs/dbraw/zinc/08/36/05/336083605.db2.gz VTNQRWGYVIDMTH-XBFCOCLRSA-N 1 3 252.427 3.272 20 0 CGADHO CSCC1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000385832487 336158051 /nfs/dbraw/zinc/15/80/51/336158051.db2.gz LWLQMFZJVZTNGS-PPWQZUPISA-N 1 3 270.486 3.028 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC34CC4)CC2)C1 ZINC000424327347 533762331 /nfs/dbraw/zinc/76/23/31/533762331.db2.gz PPMZKSWDZZXFOO-BMFZPTHFSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC34CC4)CC2)C1 ZINC000424327347 533762340 /nfs/dbraw/zinc/76/23/40/533762340.db2.gz PPMZKSWDZZXFOO-BMFZPTHFSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCOCC1 ZINC000363781757 533810474 /nfs/dbraw/zinc/81/04/74/533810474.db2.gz JKXBMVBYNINDEG-HNNXBMFYSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423339591 533890741 /nfs/dbraw/zinc/89/07/41/533890741.db2.gz VKXLIEOHTGYZRG-LRDDRELGSA-N 1 3 278.465 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1cc2c(s1)CCC2 ZINC000423339591 533890750 /nfs/dbraw/zinc/89/07/50/533890750.db2.gz VKXLIEOHTGYZRG-LRDDRELGSA-N 1 3 278.465 3.277 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423370309 533982292 /nfs/dbraw/zinc/98/22/92/533982292.db2.gz PKJQJZGFQYPTLY-KCPJHIHWSA-N 1 3 282.378 3.145 20 0 CGADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000423494918 534010653 /nfs/dbraw/zinc/01/06/53/534010653.db2.gz SSTXITZDALAMMI-TUAOUCFPSA-N 1 3 297.240 3.227 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]CCCNC2CC2)C2CC2)cc1 ZINC000423520247 534128906 /nfs/dbraw/zinc/12/89/06/534128906.db2.gz DYWSURDLFDLVKD-GOSISDBHSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H](Cc1ccoc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000449103512 534258697 /nfs/dbraw/zinc/25/86/97/534258697.db2.gz BMRAJMYOSVCVPT-HNNXBMFYSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000449103512 534258700 /nfs/dbraw/zinc/25/87/00/534258700.db2.gz BMRAJMYOSVCVPT-HNNXBMFYSA-N 1 3 290.451 3.455 20 0 CGADHO FCCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000367451276 534427766 /nfs/dbraw/zinc/42/77/66/534427766.db2.gz QJDAGPQZKKIIIF-OAHLLOKOSA-N 1 3 256.409 3.077 20 0 CGADHO c1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CCC2)cc1 ZINC000422708321 534501293 /nfs/dbraw/zinc/50/12/93/534501293.db2.gz BPISSJCEKIVJPJ-WFFDWFOESA-N 1 3 270.420 3.400 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000156587138 524047416 /nfs/dbraw/zinc/04/74/16/524047416.db2.gz CQFROLIRZRFFTA-AGIUHOORSA-N 1 3 266.454 3.444 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000156587138 524047417 /nfs/dbraw/zinc/04/74/17/524047417.db2.gz CQFROLIRZRFFTA-AGIUHOORSA-N 1 3 266.454 3.444 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)c1cccc(CO)c1)N1CCCCC1 ZINC000184500933 524196109 /nfs/dbraw/zinc/19/61/09/524196109.db2.gz GRVGHEMULRNDPL-CVEARBPZSA-N 1 3 290.451 3.094 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)c1cccc(CO)c1)N1CCCCC1 ZINC000184500913 524501141 /nfs/dbraw/zinc/50/11/41/524501141.db2.gz GRVGHEMULRNDPL-HOTGVXAUSA-N 1 3 290.451 3.094 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000088163722 524573475 /nfs/dbraw/zinc/57/34/75/524573475.db2.gz ZBRMTIFWSDEVPZ-MQVJKMGUSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000088163722 524573486 /nfs/dbraw/zinc/57/34/86/524573486.db2.gz ZBRMTIFWSDEVPZ-MQVJKMGUSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1F ZINC000088163722 524573496 /nfs/dbraw/zinc/57/34/96/524573496.db2.gz ZBRMTIFWSDEVPZ-MQVJKMGUSA-N 1 3 276.399 3.239 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(C3CC3)c2)CC[N@@H+]1C ZINC000157700892 524809628 /nfs/dbraw/zinc/80/96/28/524809628.db2.gz XIXLARCEVULNDE-GUYCJALGSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700892 524809633 /nfs/dbraw/zinc/80/96/33/524809633.db2.gz XIXLARCEVULNDE-GUYCJALGSA-N 1 3 258.409 3.136 20 0 CGADHO Fc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000149444873 526400926 /nfs/dbraw/zinc/40/09/26/526400926.db2.gz GXZRDZVVJAYOMD-QGZVFWFLSA-N 1 3 276.399 3.279 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156023357 527476522 /nfs/dbraw/zinc/47/65/22/527476522.db2.gz STLJZSAHQXBKAO-JKSUJKDBSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156023357 527476528 /nfs/dbraw/zinc/47/65/28/527476528.db2.gz STLJZSAHQXBKAO-JKSUJKDBSA-N 1 3 250.430 3.173 20 0 CGADHO C(CC1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156023357 527476530 /nfs/dbraw/zinc/47/65/30/527476530.db2.gz STLJZSAHQXBKAO-JKSUJKDBSA-N 1 3 250.430 3.173 20 0 CGADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)C[C@H]1CCOC1 ZINC000449678360 527484997 /nfs/dbraw/zinc/48/49/97/527484997.db2.gz ASVKKYYVTNCNDK-INIZCTEOSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCOC2)CC1 ZINC000449077510 527647668 /nfs/dbraw/zinc/64/76/68/527647668.db2.gz JTXNGCPEQYAHJP-HNNXBMFYSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000449077510 527647671 /nfs/dbraw/zinc/64/76/71/527647671.db2.gz JTXNGCPEQYAHJP-HNNXBMFYSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)C[C@H]([NH2+]C[C@H]1CNCCCO1)c1ccccc1 ZINC000423496761 527702144 /nfs/dbraw/zinc/70/21/44/527702144.db2.gz XNUXLHOSTYIAHD-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)[C@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449140051 527741298 /nfs/dbraw/zinc/74/12/98/527741298.db2.gz HVGCJLCCJAPCKY-MRXNPFEDSA-N 1 3 298.515 3.272 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423316695 527782660 /nfs/dbraw/zinc/78/26/60/527782660.db2.gz JYUGLBZPPWYOGX-KSSFIOAISA-N 1 3 290.451 3.499 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H]1c1ccccc1 ZINC000423398187 527876186 /nfs/dbraw/zinc/87/61/86/527876186.db2.gz UDXDIBMIUJJMAH-WCXIOVBPSA-N 1 3 272.436 3.428 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423398187 527876192 /nfs/dbraw/zinc/87/61/92/527876192.db2.gz UDXDIBMIUJJMAH-WCXIOVBPSA-N 1 3 272.436 3.428 20 0 CGADHO CC(C)COc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423349978 528164586 /nfs/dbraw/zinc/16/45/86/528164586.db2.gz YCSPYYZRTHQHFI-HNNXBMFYSA-N 1 3 288.435 3.292 20 0 CGADHO CC(C)C[C@H](CN)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423258834 528518953 /nfs/dbraw/zinc/51/89/53/528518953.db2.gz CPAHVLJSHKJCJJ-TZMCWYRMSA-N 1 3 260.381 3.457 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423262983 528532305 /nfs/dbraw/zinc/53/23/05/528532305.db2.gz ADGKJWXCBCPUSK-AAEUAGOBSA-N 1 3 266.454 3.261 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367590722 528657111 /nfs/dbraw/zinc/65/71/11/528657111.db2.gz VTBYDAMALSHEMT-KZNAEPCWSA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367590722 528657113 /nfs/dbraw/zinc/65/71/13/528657113.db2.gz VTBYDAMALSHEMT-KZNAEPCWSA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000367590722 528657114 /nfs/dbraw/zinc/65/71/14/528657114.db2.gz VTBYDAMALSHEMT-KZNAEPCWSA-N 1 3 288.435 3.048 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423263596 528720350 /nfs/dbraw/zinc/72/03/50/528720350.db2.gz BDMHMVWKZXVEAY-CJNGLKHVSA-N 1 3 264.413 3.109 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423291484 528949366 /nfs/dbraw/zinc/94/93/66/528949366.db2.gz ILUZQJYESUHNFL-BPUTZDHNSA-N 1 3 260.425 3.286 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423288394 528950202 /nfs/dbraw/zinc/95/02/02/528950202.db2.gz RYJASRGMYGXKIJ-AWEZNQCLSA-N 1 3 286.423 3.040 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423262985 529069027 /nfs/dbraw/zinc/06/90/27/529069027.db2.gz ADGKJWXCBCPUSK-WCQYABFASA-N 1 3 266.454 3.261 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000423398911 529126941 /nfs/dbraw/zinc/12/69/41/529126941.db2.gz PECMMWJCLIALOC-UVBJJODRSA-N 1 3 282.378 3.250 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423279486 529246742 /nfs/dbraw/zinc/24/67/42/529246742.db2.gz SAUQLMIHYKJHEG-IUODEOHRSA-N 1 3 266.454 3.433 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483248577 534955288 /nfs/dbraw/zinc/95/52/88/534955288.db2.gz FZUQWXFQMDQKPC-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037649237 535540033 /nfs/dbraw/zinc/54/00/33/535540033.db2.gz FKGJUSWVZBFYAF-CABCVRRESA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc(C[N@H+](CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC000124737506 536857128 /nfs/dbraw/zinc/85/71/28/536857128.db2.gz PAPRQOQLLSWKCX-INIZCTEOSA-N 1 3 288.435 3.144 20 0 CGADHO COc1ccc(C[N@@H+](CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC000124737506 536857131 /nfs/dbraw/zinc/85/71/31/536857131.db2.gz PAPRQOQLLSWKCX-INIZCTEOSA-N 1 3 288.435 3.144 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccs2)C[C@@H]1C ZINC000740885042 572466222 /nfs/dbraw/zinc/46/62/22/572466222.db2.gz YKDRNPVQXNSJKK-KBPBESRZSA-N 1 3 266.454 3.095 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccs2)C[C@@H]1C ZINC000740885042 572466223 /nfs/dbraw/zinc/46/62/23/572466223.db2.gz YKDRNPVQXNSJKK-KBPBESRZSA-N 1 3 266.454 3.095 20 0 CGADHO CCCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000749461453 573008055 /nfs/dbraw/zinc/00/80/55/573008055.db2.gz ZHTUHNXDJVWAKD-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO CSC1CC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000926118739 618105675 /nfs/dbraw/zinc/10/56/75/618105675.db2.gz BSURXEZMSHBUEX-NOZYUVCASA-N 1 3 282.497 3.123 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000924572555 618855539 /nfs/dbraw/zinc/85/55/39/618855539.db2.gz RSSXJBKOCICXNO-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cccc(OC(F)F)c1 ZINC000311387672 618906211 /nfs/dbraw/zinc/90/62/11/618906211.db2.gz ZUOFJWWOVJWAFF-SNVBAGLBSA-N 1 3 272.339 3.066 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C[C@H]1CC=CCC1 ZINC000020088815 618975454 /nfs/dbraw/zinc/97/54/54/618975454.db2.gz OYYURBNGNNYOQQ-HOTGVXAUSA-N 1 3 250.430 3.197 20 0 CGADHO Cc1cc(C)c(CN[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925688482 619136606 /nfs/dbraw/zinc/13/66/06/619136606.db2.gz CUDCUJSKPQRESJ-SFHVURJKSA-N 1 3 283.419 3.268 20 0 CGADHO CC(C)(CC[NH+]1CCCCCC1)NC[C@H]1CCC=CO1 ZINC000194722158 619143068 /nfs/dbraw/zinc/14/30/68/619143068.db2.gz KJRZIGFIFUSBMI-MRXNPFEDSA-N 1 3 280.456 3.313 20 0 CGADHO CCSC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925711657 619157738 /nfs/dbraw/zinc/15/77/38/619157738.db2.gz ZIYZYEPEFAOOIP-LSDHHAIUSA-N 1 3 282.497 3.030 20 0 CGADHO C(C[C@@H]1CCCS1)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925722520 619171569 /nfs/dbraw/zinc/17/15/69/619171569.db2.gz LRPUPWZGCSVEGM-ARFHVFGLSA-N 1 3 282.497 3.030 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261652353 619298700 /nfs/dbraw/zinc/29/87/00/619298700.db2.gz BDTVLDRIUUNEBU-AWEZNQCLSA-N 1 3 286.341 3.185 20 0 CGADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000924958700 619461779 /nfs/dbraw/zinc/46/17/79/619461779.db2.gz GIVHWVLKVAJIBC-GVDBMIGSSA-N 1 3 284.488 3.026 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000894455884 619544238 /nfs/dbraw/zinc/54/42/38/619544238.db2.gz MYMLIMPETWDHDL-CQSZACIVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](CCc1cncc2ccccc21)[NH2+]CC[C@H](C)N(C)C ZINC000895290295 619796941 /nfs/dbraw/zinc/79/69/41/619796941.db2.gz GJGFIJQOAJOMII-CVEARBPZSA-N 1 3 299.462 3.486 20 0 CGADHO C[NH+](C)C1(C)CCC([NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC000895821442 619890384 /nfs/dbraw/zinc/89/03/84/619890384.db2.gz DECDATLLONKFRH-UHFFFAOYSA-N 1 3 296.842 3.398 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000927024311 620564075 /nfs/dbraw/zinc/56/40/75/620564075.db2.gz GYYBAXLPIZATFO-NJAFHUGGSA-N 1 3 296.499 3.170 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2coc3ccccc23)C1 ZINC000924705887 620569256 /nfs/dbraw/zinc/56/92/56/620569256.db2.gz NCCMKWACANYOMM-KGLIPLIRSA-N 1 3 272.392 3.425 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000902432187 621316655 /nfs/dbraw/zinc/31/66/55/621316655.db2.gz OGXHQRBTNSUBCZ-CVEARBPZSA-N 1 3 264.457 3.181 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000902413859 621323707 /nfs/dbraw/zinc/32/37/07/621323707.db2.gz OXYSOIUUJBHAQF-CYBMUJFWSA-N 1 3 272.417 3.360 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCC1(C)C)c1cccnc1 ZINC000903382735 621723832 /nfs/dbraw/zinc/72/38/32/621723832.db2.gz HLORUCKSDNRDGC-HZPDHXFCSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438975 621748086 /nfs/dbraw/zinc/74/80/86/621748086.db2.gz AAVZPQWHKWPLEI-LNCBFAARSA-N 1 3 276.399 3.064 20 0 CGADHO FCc1ccccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903752008 621800536 /nfs/dbraw/zinc/80/05/36/621800536.db2.gz OEOYUPIXLBHSGV-NVXWUHKLSA-N 1 3 276.399 3.120 20 0 CGADHO Cc1cc(CNCCC(C)(C)[NH3+])ccc1C(F)(F)F ZINC000903939077 621835153 /nfs/dbraw/zinc/83/51/53/621835153.db2.gz COTWFHODGUETKK-UHFFFAOYSA-N 1 3 274.330 3.231 20 0 CGADHO COc1ccc([C@H]2CCCN2C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904301229 621901948 /nfs/dbraw/zinc/90/19/48/621901948.db2.gz JFFNYWOSEATOJW-MSOLQXFVSA-N 1 3 288.435 3.222 20 0 CGADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904325364 621907562 /nfs/dbraw/zinc/90/75/62/621907562.db2.gz XPBFDGHAPANKKK-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@]1(C)CCCNC1 ZINC000904325364 621907566 /nfs/dbraw/zinc/90/75/66/621907566.db2.gz XPBFDGHAPANKKK-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925472102 624423580 /nfs/dbraw/zinc/42/35/80/624423580.db2.gz ABKMXEQTCYHCPX-CABCVRRESA-N 1 3 290.838 3.231 20 0 CGADHO Cc1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000237552098 624657623 /nfs/dbraw/zinc/65/76/23/624657623.db2.gz OKVBIIVIYFWDCV-GJZGRUSLSA-N 1 3 278.440 3.436 20 0 CGADHO C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923494053 626158742 /nfs/dbraw/zinc/15/87/42/626158742.db2.gz VMHPAQFRFOWWTR-WCQYABFASA-N 1 3 286.341 3.122 20 0 CGADHO C[C@H]([NH2+]CCCCCCCO)[C@@H]1CCCN(C2CCC2)C1 ZINC000754463355 626572923 /nfs/dbraw/zinc/57/29/23/626572923.db2.gz AEPITNCKFHGPAV-DLBZAZTESA-N 1 3 296.499 3.172 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000765507237 627255194 /nfs/dbraw/zinc/25/51/94/627255194.db2.gz BQLNKVYPEVYNGK-STQMWFEESA-N 1 3 285.391 3.138 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000765507237 627255196 /nfs/dbraw/zinc/25/51/96/627255196.db2.gz BQLNKVYPEVYNGK-STQMWFEESA-N 1 3 285.391 3.138 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620506 628289174 /nfs/dbraw/zinc/28/91/74/628289174.db2.gz QZAJLXQIKDLSBN-WMLDXEAASA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC000777620506 628289176 /nfs/dbraw/zinc/28/91/76/628289176.db2.gz QZAJLXQIKDLSBN-WMLDXEAASA-N 1 3 278.415 3.318 20 0 CGADHO CC[C@@](C)(NCC1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000788486396 629058640 /nfs/dbraw/zinc/05/86/40/629058640.db2.gz VFHCUQZFGMCHBO-OAHLLOKOSA-N 1 3 281.469 3.008 20 0 CGADHO COc1c(C)cc([C@@H](C)NC2CC[NH+](C)CC2)cc1Cl ZINC000796674636 629813681 /nfs/dbraw/zinc/81/36/81/629813681.db2.gz IRYMZNXWRWSDAC-GFCCVEGCSA-N 1 3 296.842 3.402 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@@H](C)[NH3+])cc(C)c1OC(F)F ZINC000843127632 630565331 /nfs/dbraw/zinc/56/53/31/630565331.db2.gz FHHPYSPHGASOQH-VXGBXAGGSA-N 1 3 286.366 3.120 20 0 CGADHO CC1(C)OCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000815570756 631796430 /nfs/dbraw/zinc/79/64/30/631796430.db2.gz LQDHPHHLEHFEKT-KRWDZBQOSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(C)OCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000815570756 631796444 /nfs/dbraw/zinc/79/64/44/631796444.db2.gz LQDHPHHLEHFEKT-KRWDZBQOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1(Cl)Cl ZINC000817935767 632238270 /nfs/dbraw/zinc/23/82/70/632238270.db2.gz DEKPIJWVCTUWBL-UTUOFQBUSA-N 1 3 279.255 3.068 20 0 CGADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817969253 632262864 /nfs/dbraw/zinc/26/28/64/632262864.db2.gz SRAPZHPRLCWIPA-IRXDYDNUSA-N 1 3 288.435 3.194 20 0 CGADHO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1C ZINC000818616107 632341882 /nfs/dbraw/zinc/34/18/82/632341882.db2.gz SXJGJNWCSJSLDH-NUEKZKHPSA-N 1 3 276.424 3.233 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cnc3ccccc3c2)C1 ZINC000866706023 633233932 /nfs/dbraw/zinc/23/39/32/633233932.db2.gz FBIPTGJOABUXAU-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO Cc1cc(C)c(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)n1 ZINC000866710298 633235536 /nfs/dbraw/zinc/23/55/36/633235536.db2.gz XTRLEJORVKRJJK-GOSISDBHSA-N 1 3 289.467 3.204 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000866707412 633236069 /nfs/dbraw/zinc/23/60/69/633236069.db2.gz OAHKMBSQCOHMNX-WCQYABFASA-N 1 3 293.282 3.267 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872019765 633940866 /nfs/dbraw/zinc/94/08/66/633940866.db2.gz ZXMLNTDJZWGHHK-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000872041588 633964251 /nfs/dbraw/zinc/96/42/51/633964251.db2.gz UUZSMLLLEWMPEA-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCCOC1 ZINC000872053814 633977280 /nfs/dbraw/zinc/97/72/80/633977280.db2.gz WVMRALJRSNRHQU-KSZLIROESA-N 1 3 296.499 3.149 20 0 CGADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc([O-])c1F ZINC000872079514 634003180 /nfs/dbraw/zinc/00/31/80/634003180.db2.gz ZCQPZZLOENRAGJ-GFCCVEGCSA-N 1 3 280.387 3.056 20 0 CGADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([O-])c1F ZINC000872079514 634003183 /nfs/dbraw/zinc/00/31/83/634003183.db2.gz ZCQPZZLOENRAGJ-GFCCVEGCSA-N 1 3 280.387 3.056 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc([O-])c1F ZINC000872090439 634015553 /nfs/dbraw/zinc/01/55/53/634015553.db2.gz BMAOUICSJWEDES-SFYCDEOASA-N 1 3 294.414 3.445 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3ncccc23)C1 ZINC000873069333 634240631 /nfs/dbraw/zinc/24/06/31/634240631.db2.gz CVMRZKGOPSMUEI-CVEARBPZSA-N 1 3 283.419 3.197 20 0 CGADHO CC(C)[N@H+](Cc1cc2c(s1)CCNC2)C1CCC1 ZINC000873205621 634285228 /nfs/dbraw/zinc/28/52/28/634285228.db2.gz QEYKUEZGNPGXFQ-UHFFFAOYSA-N 1 3 264.438 3.157 20 0 CGADHO CC(C)[N@@H+](Cc1cc2c(s1)CCNC2)C1CCC1 ZINC000873205621 634285234 /nfs/dbraw/zinc/28/52/34/634285234.db2.gz QEYKUEZGNPGXFQ-UHFFFAOYSA-N 1 3 264.438 3.157 20 0 CGADHO CC1(C)CC[C@H](CNC2CCC3(CCOCC3)CC2)[NH2+]C1 ZINC000873236038 634295398 /nfs/dbraw/zinc/29/53/98/634295398.db2.gz WKVQSZVBDJTOOH-MRXNPFEDSA-N 1 3 294.483 3.094 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)s1 ZINC000873282576 634316607 /nfs/dbraw/zinc/31/66/07/634316607.db2.gz VNCHGBWEHZATJZ-NWDGAFQWSA-N 1 3 252.427 3.015 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc2c(ccnc2Cl)o1 ZINC000877527058 635071988 /nfs/dbraw/zinc/07/19/88/635071988.db2.gz KRASAWWSZGAAJC-UHFFFAOYSA-N 1 3 295.814 3.255 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc2c(ccnc2Cl)o1 ZINC000877527058 635071991 /nfs/dbraw/zinc/07/19/91/635071991.db2.gz KRASAWWSZGAAJC-UHFFFAOYSA-N 1 3 295.814 3.255 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148012 635378199 /nfs/dbraw/zinc/37/81/99/635378199.db2.gz LKQHZYQSPHYHTP-JKSUJKDBSA-N 1 3 296.499 3.244 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148012 635378208 /nfs/dbraw/zinc/37/82/08/635378208.db2.gz LKQHZYQSPHYHTP-JKSUJKDBSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@@]1(CN2CCC(c3cc4ccccc4[nH]3)CC2)CC[NH2+]C1 ZINC000843060752 635555472 /nfs/dbraw/zinc/55/54/72/635555472.db2.gz OMWXNAYZGGXNPC-LJQANCHMSA-N 1 3 297.446 3.347 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CC[C@@H]1CCCC1(F)F)C2 ZINC000878663497 635595726 /nfs/dbraw/zinc/59/57/26/635595726.db2.gz ZYXQUDOTMVYWKQ-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CC[C@@H]1CCCC1(F)F)C2 ZINC000878663497 635595734 /nfs/dbraw/zinc/59/57/34/635595734.db2.gz ZYXQUDOTMVYWKQ-GJZGRUSLSA-N 1 3 286.410 3.230 20 0 CGADHO CC(C)(C)SCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473965 636007527 /nfs/dbraw/zinc/00/75/27/636007527.db2.gz RLFSLPZIQCCHIV-UHFFFAOYSA-N 1 3 270.486 3.078 20 0 CGADHO CC1(N2CCC2)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000880475789 636008012 /nfs/dbraw/zinc/00/80/12/636008012.db2.gz XWNJBQAZBQBOMD-UHFFFAOYSA-N 1 3 292.854 3.443 20 0 CGADHO CC(C)(C)SCCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880476173 636008328 /nfs/dbraw/zinc/00/83/28/636008328.db2.gz POHUGDDVBISHIT-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO CC1(N2CCC2)CC[NH+](CCCc2ccsc2)CC1 ZINC000880474300 636008492 /nfs/dbraw/zinc/00/84/92/636008492.db2.gz XWOWJVJAHLVWKW-UHFFFAOYSA-N 1 3 278.465 3.241 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883416149 636748386 /nfs/dbraw/zinc/74/83/86/636748386.db2.gz NCYAUZXZBJMQJF-XQQFMLRXSA-N 1 3 260.372 3.014 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883416149 636748398 /nfs/dbraw/zinc/74/83/98/636748398.db2.gz NCYAUZXZBJMQJF-XQQFMLRXSA-N 1 3 260.372 3.014 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883416150 636748622 /nfs/dbraw/zinc/74/86/22/636748622.db2.gz NCYAUZXZBJMQJF-YNEHKIRRSA-N 1 3 260.372 3.014 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883416150 636748631 /nfs/dbraw/zinc/74/86/31/636748631.db2.gz NCYAUZXZBJMQJF-YNEHKIRRSA-N 1 3 260.372 3.014 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1CN ZINC000883433641 636753919 /nfs/dbraw/zinc/75/39/19/636753919.db2.gz VNYAAMNNIGRCGW-ZOBORPQBSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1CN ZINC000883433641 636753930 /nfs/dbraw/zinc/75/39/30/636753930.db2.gz VNYAAMNNIGRCGW-ZOBORPQBSA-N 1 3 274.399 3.117 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(CCSC(F)(F)F)CC1 ZINC000885983837 637343250 /nfs/dbraw/zinc/34/32/50/637343250.db2.gz QZADKGASZQYXHL-UHFFFAOYSA-N 1 3 298.418 3.292 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(CCSC(F)(F)F)CC1 ZINC000885983837 637343256 /nfs/dbraw/zinc/34/32/56/637343256.db2.gz QZADKGASZQYXHL-UHFFFAOYSA-N 1 3 298.418 3.292 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027066 637372045 /nfs/dbraw/zinc/37/20/45/637372045.db2.gz BWIFGZANRMYVJU-NXHRZFHOSA-N 1 3 276.468 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027066 637372051 /nfs/dbraw/zinc/37/20/51/637372051.db2.gz BWIFGZANRMYVJU-NXHRZFHOSA-N 1 3 276.468 3.086 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030435 637372955 /nfs/dbraw/zinc/37/29/55/637372955.db2.gz KRWQGFWNFZSJGX-UAGQMJEPSA-N 1 3 264.457 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030435 637372960 /nfs/dbraw/zinc/37/29/60/637372960.db2.gz KRWQGFWNFZSJGX-UAGQMJEPSA-N 1 3 264.457 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030435 637372965 /nfs/dbraw/zinc/37/29/65/637372965.db2.gz KRWQGFWNFZSJGX-UAGQMJEPSA-N 1 3 264.457 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886030435 637372968 /nfs/dbraw/zinc/37/29/68/637372968.db2.gz KRWQGFWNFZSJGX-UAGQMJEPSA-N 1 3 264.457 3.086 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886731074 637676428 /nfs/dbraw/zinc/67/64/28/637676428.db2.gz UKHAWYBLTSBLEH-INIZCTEOSA-N 1 3 294.483 3.188 20 0 CGADHO COc1cccc(CN(C)C2CCC([NH3+])CC2)c1Cl ZINC000852741276 637703661 /nfs/dbraw/zinc/70/36/61/637703661.db2.gz PQSLOYKOXRJWJN-UHFFFAOYSA-N 1 3 282.815 3.050 20 0 CGADHO CC[C@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134458 637754846 /nfs/dbraw/zinc/75/48/46/637754846.db2.gz KAKQDTMFMABDRY-ZIAGYGMSSA-N 1 3 297.393 3.274 20 0 CGADHO CC1CCN(CCC[NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000924577619 638365979 /nfs/dbraw/zinc/36/59/79/638365979.db2.gz KTHPMBJOUKPOHV-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]1CC2(CC(NCCC[N@H+](C)C3CCCCC3)C2)CO1 ZINC000924601935 638372371 /nfs/dbraw/zinc/37/23/71/638372371.db2.gz TVELPVRZTGFJAH-HJOIGYKYSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1CC2(CC(NCCC[N@@H+](C)C3CCCCC3)C2)CO1 ZINC000924601935 638372377 /nfs/dbraw/zinc/37/23/77/638372377.db2.gz TVELPVRZTGFJAH-HJOIGYKYSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC[C@H]2CC2(Cl)Cl)c2ccccc21 ZINC000857254045 638483633 /nfs/dbraw/zinc/48/36/33/638483633.db2.gz WOCKKUVOFDVZHH-ZWKOPEQDSA-N 1 3 285.218 3.305 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@H]2CC2(Cl)Cl)c2ccccc21 ZINC000857254042 638483661 /nfs/dbraw/zinc/48/36/61/638483661.db2.gz WOCKKUVOFDVZHH-BIMULSAOSA-N 1 3 285.218 3.305 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925500891 638513470 /nfs/dbraw/zinc/51/34/70/638513470.db2.gz AMLOANJKUVNJKV-SDDRHHMPSA-N 1 3 252.427 3.305 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C[C@H]2C[C@H]2C1 ZINC000925719326 638578857 /nfs/dbraw/zinc/57/88/57/638578857.db2.gz REIAYWMHBMEAMV-ILOCAZANSA-N 1 3 276.468 3.181 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H](c2ccccn2)C2CCC2)C1 ZINC000925724233 638582108 /nfs/dbraw/zinc/58/21/08/638582108.db2.gz XNAAOKDJNYUCLM-BFYDXBDKSA-N 1 3 287.451 3.418 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1CCCC1(F)F ZINC000925734911 638588673 /nfs/dbraw/zinc/58/86/73/638588673.db2.gz CVIWJXOGQHDBHL-WCQYABFASA-N 1 3 297.393 3.325 20 0 CGADHO CC(C)([NH3+])CCN[C@@H]1CCc2cc(Cl)ccc21 ZINC000925742173 638592823 /nfs/dbraw/zinc/59/28/23/638592823.db2.gz ZBJUSJKGXNIXFU-CYBMUJFWSA-N 1 3 252.789 3.044 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000925760527 638601005 /nfs/dbraw/zinc/60/10/05/638601005.db2.gz XJGJBDSBXCBGIG-KRWDZBQOSA-N 1 3 288.435 3.276 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCCC2(F)F)c2ccccc21 ZINC000925776524 638608622 /nfs/dbraw/zinc/60/86/22/638608622.db2.gz KZMXNNRXYFKMDI-XUJVJEKNSA-N 1 3 280.362 3.069 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838156 638628814 /nfs/dbraw/zinc/62/88/14/638628814.db2.gz KXSVOEMZIAAOTM-KLHDSHLOSA-N 1 3 294.389 3.142 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838156 638628820 /nfs/dbraw/zinc/62/88/20/638628820.db2.gz KXSVOEMZIAAOTM-KLHDSHLOSA-N 1 3 294.389 3.142 20 0 CGADHO C[C@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CCC[NH2+]C1 ZINC000925840719 638629637 /nfs/dbraw/zinc/62/96/37/638629637.db2.gz WLQWYUSPHZSMAE-ARLBYUKCSA-N 1 3 294.389 3.013 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490594 638740960 /nfs/dbraw/zinc/74/09/60/638740960.db2.gz KCKVANQBDWEMLT-ZIAGYGMSSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1coc2ccccc12 ZINC000926469124 638774426 /nfs/dbraw/zinc/77/44/26/638774426.db2.gz FDDUSKXTSGIAHA-QWHCGFSZSA-N 1 3 260.381 3.281 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(CCC(C)C)CC2)nc1 ZINC000926565285 638785760 /nfs/dbraw/zinc/78/57/60/638785760.db2.gz QQIFWYFCIWKHTM-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO Cc1ccc(CCNC2CC[NH+](CCC(C)C)CC2)nc1 ZINC000926565285 638785761 /nfs/dbraw/zinc/78/57/61/638785761.db2.gz QQIFWYFCIWKHTM-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000926827022 638815705 /nfs/dbraw/zinc/81/57/05/638815705.db2.gz UAPWAKGMBCVCBD-BPQIPLTHSA-N 1 3 294.483 3.044 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1C[C@H]2C=C[C@@H]1CC2)c1cccnc1 ZINC000926897469 638822834 /nfs/dbraw/zinc/82/28/34/638822834.db2.gz JDXGQWRVFDBNEW-BURFUSLBSA-N 1 3 285.435 3.019 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000084194272 640604820 /nfs/dbraw/zinc/60/48/20/640604820.db2.gz JCRNZZSUALDYRF-SFHVURJKSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250537481 640813819 /nfs/dbraw/zinc/81/38/19/640813819.db2.gz ZLNQVYMZLBMNPJ-IRXDYDNUSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250859743 640817939 /nfs/dbraw/zinc/81/79/39/640817939.db2.gz BAPPGMNVDASQPR-RRFJBIMHSA-N 1 3 278.465 3.457 20 0 CGADHO COc1ccc(C)cc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000251158477 640822708 /nfs/dbraw/zinc/82/27/08/640822708.db2.gz LPDLGQNMBADHTM-OFQRWUPVSA-N 1 3 276.424 3.172 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000251581940 640829155 /nfs/dbraw/zinc/82/91/55/640829155.db2.gz WGMKUZHWXSVABP-JKOKRWQUSA-N 1 3 286.341 3.483 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000253194073 640874588 /nfs/dbraw/zinc/87/45/88/640874588.db2.gz PLJLVXJMNZKTNV-WCQYABFASA-N 1 3 286.341 3.122 20 0 CGADHO CCCCCC1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253408914 806216280 /nfs/dbraw/zinc/21/62/80/806216280.db2.gz MKNKXRWVEPIBRR-JCYILVPMSA-N 1 3 298.515 3.464 20 0 CGADHO CCCCC[C@H](O)CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253533395 806238622 /nfs/dbraw/zinc/23/86/22/806238622.db2.gz QPQHDSHJPHCBKH-ROUUACIJSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253533395 806238627 /nfs/dbraw/zinc/23/86/27/806238627.db2.gz QPQHDSHJPHCBKH-ROUUACIJSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@H](O)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001253533395 806238635 /nfs/dbraw/zinc/23/86/35/806238635.db2.gz QPQHDSHJPHCBKH-ROUUACIJSA-N 1 3 296.499 3.268 20 0 CGADHO CCCCC[C@H](O)CN(C)C1CC[NH+](CCCC)CC1 ZINC001253540097 806243334 /nfs/dbraw/zinc/24/33/34/806243334.db2.gz CVNZHXPVNQHQGA-KRWDZBQOSA-N 1 3 284.488 3.124 20 0 CGADHO Cc1cnccc1Nc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC001160256456 806243431 /nfs/dbraw/zinc/24/34/31/806243431.db2.gz KGCXGOIYEFADQY-MRXNPFEDSA-N 1 3 281.403 3.098 20 0 CGADHO CCN(C)C1CC[NH+](C2CCc3ccccc3CC2)CC1 ZINC001254463288 806410919 /nfs/dbraw/zinc/41/09/19/806410919.db2.gz PARRQXUMTSYIFA-UHFFFAOYSA-N 1 3 286.463 3.350 20 0 CGADHO CC[N@H+](C)C1CCN(C2CCc3ccccc3CC2)CC1 ZINC001254463288 806410920 /nfs/dbraw/zinc/41/09/20/806410920.db2.gz PARRQXUMTSYIFA-UHFFFAOYSA-N 1 3 286.463 3.350 20 0 CGADHO CC[N@@H+](C)C1CCN(C2CCc3ccccc3CC2)CC1 ZINC001254463288 806410921 /nfs/dbraw/zinc/41/09/21/806410921.db2.gz PARRQXUMTSYIFA-UHFFFAOYSA-N 1 3 286.463 3.350 20 0 CGADHO C[N@@H+]1CCC[C@H](NCCOc2cccc3ccccc32)CC1 ZINC001254506724 806427322 /nfs/dbraw/zinc/42/73/22/806427322.db2.gz YOXNBTMPIJCEAX-KRWDZBQOSA-N 1 3 298.430 3.293 20 0 CGADHO C[N@H+]1CCC[C@H](NCCOc2cccc3ccccc32)CC1 ZINC001254506724 806427327 /nfs/dbraw/zinc/42/73/27/806427327.db2.gz YOXNBTMPIJCEAX-KRWDZBQOSA-N 1 3 298.430 3.293 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510774 806431136 /nfs/dbraw/zinc/43/11/36/806431136.db2.gz QKSDGEBFXMKSQH-WBVHZDCISA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510774 806431138 /nfs/dbraw/zinc/43/11/38/806431138.db2.gz QKSDGEBFXMKSQH-WBVHZDCISA-N 1 3 276.399 3.277 20 0 CGADHO C[C@@H]1CCCCN1c1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162392118 806573173 /nfs/dbraw/zinc/57/31/73/806573173.db2.gz DTQNYFWUYJPENK-KFWWJZLASA-N 1 3 288.439 3.142 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc2c(c1)CCO2 ZINC000037644616 798871721 /nfs/dbraw/zinc/87/17/21/798871721.db2.gz FKORKZIXOQEVAN-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644616 798871727 /nfs/dbraw/zinc/87/17/27/798871727.db2.gz FKORKZIXOQEVAN-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644616 798871734 /nfs/dbraw/zinc/87/17/34/798871734.db2.gz FKORKZIXOQEVAN-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO Nc1cc[nH+]c2cc(N[C@@H]3CNCc4ccsc43)ccc12 ZINC001163229830 806730707 /nfs/dbraw/zinc/73/07/07/806730707.db2.gz LOFVJJYJZLRVGY-OAHLLOKOSA-N 1 3 296.399 3.135 20 0 CGADHO C(C[NH2+]C1CCCCC1)CN1CCC2(CCC2)C1 ZINC000380290264 799359861 /nfs/dbraw/zinc/35/98/61/799359861.db2.gz ONILJNLMNWBXHO-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO Cc1ccc(C[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001255783904 806749875 /nfs/dbraw/zinc/74/98/75/806749875.db2.gz JVYBXBAFIBDFRM-QGZVFWFLSA-N 1 3 295.430 3.143 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000700823806 799881795 /nfs/dbraw/zinc/88/17/95/799881795.db2.gz SIUOYUJEENAMEZ-RDBSUJKOSA-N 1 3 292.389 3.429 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001255940135 806789392 /nfs/dbraw/zinc/78/93/92/806789392.db2.gz QBAMWEDBCPUEOK-MRXNPFEDSA-N 1 3 262.441 3.248 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1ccc(OC)cc1 ZINC001255942391 806791832 /nfs/dbraw/zinc/79/18/32/806791832.db2.gz FRQJBGAFGHLABT-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1ccc(F)cc1 ZINC001255945506 806793008 /nfs/dbraw/zinc/79/30/08/806793008.db2.gz LJSWYDZZVFIMSJ-OAHLLOKOSA-N 1 3 280.431 3.468 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccc(OC)cc1F ZINC001255950808 806795667 /nfs/dbraw/zinc/79/56/67/806795667.db2.gz LLKFVACNGAYUCV-CQSZACIVSA-N 1 3 296.430 3.087 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(OC)cc1F ZINC001255950808 806795671 /nfs/dbraw/zinc/79/56/71/806795671.db2.gz LLKFVACNGAYUCV-CQSZACIVSA-N 1 3 296.430 3.087 20 0 CGADHO CCOC1CCC([NH2+][C@@H](C)CCN(CC)CC)CC1 ZINC001255953126 806797359 /nfs/dbraw/zinc/79/73/59/806797359.db2.gz JDMYFVIKAMXEIY-FHERZECASA-N 1 3 270.461 3.044 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001255963333 806799361 /nfs/dbraw/zinc/79/93/61/806799361.db2.gz FRTAOOWGMKCVMO-WMZOPIPTSA-N 1 3 289.467 3.209 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001255963333 806799363 /nfs/dbraw/zinc/79/93/63/806799363.db2.gz FRTAOOWGMKCVMO-WMZOPIPTSA-N 1 3 289.467 3.209 20 0 CGADHO CCCCCCN1CCN([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255959904 806800084 /nfs/dbraw/zinc/80/00/84/806800084.db2.gz BNNVCLREDJHPJK-GOSISDBHSA-N 1 3 297.531 3.305 20 0 CGADHO CCCN(CCc1ccccn1)[C@H](C)CC[NH+](CC)CC ZINC001255965079 806802393 /nfs/dbraw/zinc/80/23/93/806802393.db2.gz DKBNEHUVIKVUHB-QGZVFWFLSA-N 1 3 291.483 3.457 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC[C@@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000712738682 800098785 /nfs/dbraw/zinc/09/87/85/800098785.db2.gz BTFLEACBAFEJSI-VJUNAUMWSA-N 1 3 256.393 3.157 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000715509017 800136665 /nfs/dbraw/zinc/13/66/65/800136665.db2.gz YKTODNOUMITESM-CABCVRRESA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715575708 800139517 /nfs/dbraw/zinc/13/95/17/800139517.db2.gz YYMARPGZPMXFML-FGTMMUONSA-N 1 3 274.452 3.470 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000718751431 800221913 /nfs/dbraw/zinc/22/19/13/800221913.db2.gz JSOBURVLEWQEEA-IXDOHACOSA-N 1 3 282.472 3.188 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256617605 806927691 /nfs/dbraw/zinc/92/76/91/806927691.db2.gz UFIKJFKVXWAGGZ-MMNRESRNSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617605 806927694 /nfs/dbraw/zinc/92/76/94/806927694.db2.gz UFIKJFKVXWAGGZ-MMNRESRNSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc(C(C)(C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256615611 806925880 /nfs/dbraw/zinc/92/58/80/806925880.db2.gz OJTBQQIRBDRSGJ-ALOPSCKCSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc(C(C)(C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256615611 806925882 /nfs/dbraw/zinc/92/58/82/806925882.db2.gz OJTBQQIRBDRSGJ-ALOPSCKCSA-N 1 3 272.436 3.445 20 0 CGADHO CC1(C)CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256685267 806947908 /nfs/dbraw/zinc/94/79/08/806947908.db2.gz ATUQVZLHPKTNNN-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO CC[N@H+](C1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256689156 806948910 /nfs/dbraw/zinc/94/89/10/806948910.db2.gz RDMOBCDYWCVANL-UHFFFAOYSA-N 1 3 294.483 3.284 20 0 CGADHO CC[N@@H+](C1CCCCC1)C1CCC(N2CCOCC2)CC1 ZINC001256689156 806948913 /nfs/dbraw/zinc/94/89/13/806948913.db2.gz RDMOBCDYWCVANL-UHFFFAOYSA-N 1 3 294.483 3.284 20 0 CGADHO CCCCCC[C@H](O)CNC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001120496621 802746501 /nfs/dbraw/zinc/74/65/01/802746501.db2.gz GLUCZQXXIKKDHB-CVEARBPZSA-N 1 3 284.488 3.028 20 0 CGADHO CCCCCC[C@H](O)CNC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001120496621 802746506 /nfs/dbraw/zinc/74/65/06/802746506.db2.gz GLUCZQXXIKKDHB-CVEARBPZSA-N 1 3 284.488 3.028 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC001200811190 811749181 /nfs/dbraw/zinc/74/91/81/811749181.db2.gz CWYAAMDHPOPRLQ-SJORKVTESA-N 1 3 283.419 3.197 20 0 CGADHO Cc1cccc(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001246070728 804108599 /nfs/dbraw/zinc/10/85/99/804108599.db2.gz DYIWMUBJUXLFCF-UXHICEINSA-N 1 3 294.442 3.448 20 0 CGADHO CCCC[C@@H]1C[C@@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC001246073590 804112655 /nfs/dbraw/zinc/11/26/55/804112655.db2.gz ICCDMVQFDQZYPK-SJORKVTESA-N 1 3 272.436 3.054 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246074803 804114868 /nfs/dbraw/zinc/11/48/68/804114868.db2.gz QQVDCHDFKQLBHQ-HOTGVXAUSA-N 1 3 278.415 3.269 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246081301 804117998 /nfs/dbraw/zinc/11/79/98/804117998.db2.gz MSDBOVWVOCNVBD-ZIAGYGMSSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]1C[C@@H](NCCc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246096224 804128688 /nfs/dbraw/zinc/12/86/88/804128688.db2.gz IWWANZZSYQGPKG-GWCFXTLKSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCc2cc(Cl)ccc2Cl)CCN1 ZINC001246096224 804128694 /nfs/dbraw/zinc/12/86/94/804128694.db2.gz IWWANZZSYQGPKG-GWCFXTLKSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)CN1 ZINC001246103216 804135907 /nfs/dbraw/zinc/13/59/07/804135907.db2.gz GNVCPYNDMJDXMP-AGIUHOORSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@H](C(F)(F)F)C2)[NH2+]C1 ZINC001246105997 804138257 /nfs/dbraw/zinc/13/82/57/804138257.db2.gz CLWQNXUCCSFTCW-YVECIDJPSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@H]1C ZINC001246112454 804143386 /nfs/dbraw/zinc/14/33/86/804143386.db2.gz UYDRLYOYTFZQOB-FRRDWIJNSA-N 1 3 298.883 3.266 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCN ZINC001246151961 804170437 /nfs/dbraw/zinc/17/04/37/804170437.db2.gz HNYTUTCVXCUQMV-SNVBAGLBSA-N 1 3 275.223 3.253 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)CCN1 ZINC001246117629 804149735 /nfs/dbraw/zinc/14/97/35/804149735.db2.gz SAMASVQERGGFHC-ZJIFWQFVSA-N 1 3 252.446 3.466 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+][C@H]1COCCC12CNC2 ZINC001246138746 804162281 /nfs/dbraw/zinc/16/22/81/804162281.db2.gz OHYUWEDZRAGYOL-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO CCCCCC[C@H](CCC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246138746 804162286 /nfs/dbraw/zinc/16/22/86/804162286.db2.gz OHYUWEDZRAGYOL-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO CCCCCC1CCC(N[C@@H]2COCCC23C[NH2+]C3)CC1 ZINC001246139734 804163813 /nfs/dbraw/zinc/16/38/13/804163813.db2.gz WFSMTYGRRWFXOG-OFLPRAFFSA-N 1 3 294.483 3.094 20 0 CGADHO CCCCCC1CCC([NH2+][C@@H]2COCCC23CNC3)CC1 ZINC001246139734 804163818 /nfs/dbraw/zinc/16/38/18/804163818.db2.gz WFSMTYGRRWFXOG-OFLPRAFFSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246150948 804170632 /nfs/dbraw/zinc/17/06/32/804170632.db2.gz UWUFRBANUFJQOY-UUIJZJDISA-N 1 3 296.867 3.018 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246152811 804171198 /nfs/dbraw/zinc/17/11/98/804171198.db2.gz ORMBHIFUGXEHSS-HZPDHXFCSA-N 1 3 280.843 3.249 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246151547 804171365 /nfs/dbraw/zinc/17/13/65/804171365.db2.gz NUEJFUZGYVHBJY-FJIDUMEYSA-N 1 3 296.499 3.340 20 0 CGADHO C[C@H]1C[C@@H](NCCc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246158895 804175701 /nfs/dbraw/zinc/17/57/01/804175701.db2.gz NIEQHBSWQJWKMC-JQWIXIFHSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)CCN1 ZINC001246158895 804175708 /nfs/dbraw/zinc/17/57/08/804175708.db2.gz NIEQHBSWQJWKMC-JQWIXIFHSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1CC([NH2+]CC23CC4CC(CC(C4)C2)C3)C[C@@H](C)N1 ZINC001246173248 804188217 /nfs/dbraw/zinc/18/82/17/804188217.db2.gz RYRMMVMHQZHLRH-DAZFMJRUSA-N 1 3 276.468 3.321 20 0 CGADHO c1ccc(C2([NH2+][C@H]3CCCCNC3)CCCC2)cc1 ZINC001246174846 804188823 /nfs/dbraw/zinc/18/88/23/804188823.db2.gz FMZKUJAQAKFNHR-INIZCTEOSA-N 1 3 258.409 3.188 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001246181221 804195686 /nfs/dbraw/zinc/19/56/86/804195686.db2.gz MOOJUTFIIXMYGM-KCPJHIHWSA-N 1 3 266.816 3.131 20 0 CGADHO CCC(CC)(N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC001246185682 804197374 /nfs/dbraw/zinc/19/73/74/804197374.db2.gz WIXXWJWGTRPSHG-MRXNPFEDSA-N 1 3 260.425 3.434 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@@]1(C)CC[NH2+]C1 ZINC001246216559 804211436 /nfs/dbraw/zinc/21/14/36/804211436.db2.gz NGJBCYCGABUJEE-WFASDCNBSA-N 1 3 298.883 3.410 20 0 CGADHO CC[C@H]1CC(N[C@H](CO)CC2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246229499 804222430 /nfs/dbraw/zinc/22/24/30/804222430.db2.gz JUPGOJQTSNMHBI-BQFCYCMXSA-N 1 3 296.499 3.217 20 0 CGADHO CC(C)(CN)C[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246243457 804235130 /nfs/dbraw/zinc/23/51/30/804235130.db2.gz GKTQLVGUBCRYTP-UHFFFAOYSA-N 1 3 274.452 3.362 20 0 CGADHO CC(C)=CCC/C(C)=C/CN[C@H]1CCC[NH2+]CC1 ZINC001246243329 804235731 /nfs/dbraw/zinc/23/57/31/804235731.db2.gz IZLMHRAGQRMFAJ-LRQZKABGSA-N 1 3 250.430 3.411 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)CCN1 ZINC001246261382 804242486 /nfs/dbraw/zinc/24/24/86/804242486.db2.gz CVXULYMIJVHFNZ-FPCVCCKLSA-N 1 3 252.446 3.466 20 0 CGADHO CCC[NH2+]CCNC1CCC(Cc2ccccc2)CC1 ZINC001246267186 804246811 /nfs/dbraw/zinc/24/68/11/804246811.db2.gz FSJDLMCGPHEYPL-UHFFFAOYSA-N 1 3 274.452 3.377 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@@H](C)C2CCCC2)CCN1 ZINC001246268115 804247487 /nfs/dbraw/zinc/24/74/87/804247487.db2.gz IDIVIWKFAMDIPA-BPUTZDHNSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@@H]1CC(NCCc2ccc(F)c(F)c2)C[C@@H](CC)[NH2+]1 ZINC001246277505 804253532 /nfs/dbraw/zinc/25/35/32/804253532.db2.gz ICDNGQXYJFUBSD-ZIAGYGMSSA-N 1 3 296.405 3.406 20 0 CGADHO c1ccc([C@H]2CCC[C@H](NC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001246284689 804257845 /nfs/dbraw/zinc/25/78/45/804257845.db2.gz CLJVUHCKSADBCU-BZSNNMDCSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C[C@H](C)N1 ZINC001246306688 804269532 /nfs/dbraw/zinc/26/95/32/804269532.db2.gz XGQWJQVAGLBDIQ-LZDSYCOUSA-N 1 3 292.854 3.316 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@H](C)CSc1ccc(F)cc1 ZINC001246307779 804272144 /nfs/dbraw/zinc/27/21/44/804272144.db2.gz OONUHINYAKHKTG-DGCLKSJQSA-N 1 3 270.417 3.023 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246310992 804272845 /nfs/dbraw/zinc/27/28/45/804272845.db2.gz BRWADNXTOWGQGW-RYUDHWBXSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)C[NH2+]1 ZINC001246322624 804281238 /nfs/dbraw/zinc/28/12/38/804281238.db2.gz BYBSRAQZFJIBSO-JUAVELKISA-N 1 3 284.447 3.299 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2cc(F)cc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246330075 804283730 /nfs/dbraw/zinc/28/37/30/804283730.db2.gz UPXSRVUJFLHQCW-BJWYYQGGSA-N 1 3 296.405 3.406 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246351024 804300352 /nfs/dbraw/zinc/30/03/52/804300352.db2.gz UCSRONRLNNCPDW-XMTFNYHQSA-N 1 3 272.436 3.270 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246364622 804306053 /nfs/dbraw/zinc/30/60/53/804306053.db2.gz SWXOOJLKZHZMJM-LJISPDSOSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)(CCN)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246366020 804306077 /nfs/dbraw/zinc/30/60/77/804306077.db2.gz WIWFNCWPPUNBMK-HZPDHXFCSA-N 1 3 260.425 3.430 20 0 CGADHO CCCC1([NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CCC1 ZINC001246382522 804313081 /nfs/dbraw/zinc/31/30/81/804313081.db2.gz DWILOTASUKUJNR-KGLIPLIRSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246383842 804315511 /nfs/dbraw/zinc/31/55/11/804315511.db2.gz LPCCXHCSNPHEAM-ROUUACIJSA-N 1 3 286.463 3.438 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]C1(CCOC)CCNCC1 ZINC001246384727 804316301 /nfs/dbraw/zinc/31/63/01/804316301.db2.gz AQCRCDWEZRQDOY-INIZCTEOSA-N 1 3 284.488 3.484 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246387547 804318738 /nfs/dbraw/zinc/31/87/38/804318738.db2.gz HDEUFVQCWVROBB-IRXDYDNUSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CN1 ZINC001246406930 804324456 /nfs/dbraw/zinc/32/44/56/804324456.db2.gz QLAZQPBEBCVKTO-OCCSQVGLSA-N 1 3 286.410 3.465 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246417692 804325431 /nfs/dbraw/zinc/32/54/31/804325431.db2.gz OIGQFUCEZHLGQC-HOTGVXAUSA-N 1 3 299.503 3.088 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430086 804328979 /nfs/dbraw/zinc/32/89/79/804328979.db2.gz FXFVXSLOAKTNLV-HUUCEWRRSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1CCNC(C)(C)C1)C2(C)C ZINC001246442478 804334063 /nfs/dbraw/zinc/33/40/63/804334063.db2.gz JFCQXYGNTBQRCW-BTFPBAQTSA-N 1 3 264.457 3.177 20 0 CGADHO CC(C)[NH2+]CCNC1CCC(c2ccccc2)CC1 ZINC001246453456 804336037 /nfs/dbraw/zinc/33/60/37/804336037.db2.gz OXTMDHAUUCDRRN-UHFFFAOYSA-N 1 3 260.425 3.300 20 0 CGADHO CC[C@@]1([NH2+]C2CCC3(CCCC3)CC2)CCNC1 ZINC001246456417 804338701 /nfs/dbraw/zinc/33/87/01/804338701.db2.gz ACTOUOKXOYIURZ-MRXNPFEDSA-N 1 3 250.430 3.221 20 0 CGADHO CCCC(CCC)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246459207 804340289 /nfs/dbraw/zinc/34/02/89/804340289.db2.gz COZVERMCAGBTJV-MRXNPFEDSA-N 1 3 252.446 3.467 20 0 CGADHO CC1(C)CC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246459356 804340637 /nfs/dbraw/zinc/34/06/37/804340637.db2.gz GBVPGNNVQZJQGO-GDBMZVCRSA-N 1 3 250.430 3.077 20 0 CGADHO CCCCCC[C@H](CCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246464219 804344407 /nfs/dbraw/zinc/34/44/07/804344407.db2.gz IRHXDBNEZWJGME-XHSDSOJGSA-N 1 3 270.461 3.092 20 0 CGADHO CC(C)[C@H]1C[C@@H](NC2(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246467017 804345653 /nfs/dbraw/zinc/34/56/53/804345653.db2.gz RPSZIQZSAZEUCB-DLBZAZTESA-N 1 3 290.426 3.267 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCNCC12CC2 ZINC001246472777 804348756 /nfs/dbraw/zinc/34/87/56/804348756.db2.gz IWCJYQZWGGMNDD-KKUMJFAQSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cccc([C@H](N[C@H]2CC[NH2+][C@H](C)C2)C(C)C)c1 ZINC001246472912 804350350 /nfs/dbraw/zinc/35/03/50/804350350.db2.gz FYIYJOQRLVOMIN-HYVNUMGLSA-N 1 3 260.425 3.422 20 0 CGADHO Cc1cccc([C@H]([NH2+][C@H]2CCN[C@H](C)C2)C(C)C)c1 ZINC001246472912 804350357 /nfs/dbraw/zinc/35/03/57/804350357.db2.gz FYIYJOQRLVOMIN-HYVNUMGLSA-N 1 3 260.425 3.422 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001246475215 804353172 /nfs/dbraw/zinc/35/31/72/804353172.db2.gz SNRPHMISFVXEDH-WJFTUGDTSA-N 1 3 284.447 3.152 20 0 CGADHO C1=C[C@H](NC2CCC3(CCCCC3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246479239 804353847 /nfs/dbraw/zinc/35/38/47/804353847.db2.gz SOICHMUWPGFELB-UAGQMJEPSA-N 1 3 274.452 3.243 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246493439 804359057 /nfs/dbraw/zinc/35/90/57/804359057.db2.gz AXUKTTXFANPZQS-UPJWGTAASA-N 1 3 299.245 3.191 20 0 CGADHO CCCCC[C@H](CCC)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246513849 804370304 /nfs/dbraw/zinc/37/03/04/804370304.db2.gz FHWYJESLINRPRR-HOTGVXAUSA-N 1 3 252.446 3.323 20 0 CGADHO CN(CCc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246517642 804372667 /nfs/dbraw/zinc/37/26/67/804372667.db2.gz ALFQBXGWWXKOQL-SJORKVTESA-N 1 3 274.452 3.328 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246521129 804376183 /nfs/dbraw/zinc/37/61/83/804376183.db2.gz ZFWSCUMVPXLCMQ-HZPDHXFCSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246521183 804376215 /nfs/dbraw/zinc/37/62/15/804376215.db2.gz XSIWXJVVOGZUNN-XGUBFFRZSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246521183 804376222 /nfs/dbraw/zinc/37/62/22/804376222.db2.gz XSIWXJVVOGZUNN-XGUBFFRZSA-N 1 3 252.446 3.416 20 0 CGADHO CCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246523148 804378338 /nfs/dbraw/zinc/37/83/38/804378338.db2.gz WUHFZWYQVLKVKU-IAGOWNOFSA-N 1 3 260.425 3.285 20 0 CGADHO C[NH2+]C[C@@H]1CCCN([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538338 804388558 /nfs/dbraw/zinc/38/85/58/804388558.db2.gz BOBHYYGEAUQOFU-GUYCJALGSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540663 804390133 /nfs/dbraw/zinc/39/01/33/804390133.db2.gz BWTKKHRQJAKGRH-ZBFHGGJFSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1C[N@@H+]([C@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540663 804390141 /nfs/dbraw/zinc/39/01/41/804390141.db2.gz BWTKKHRQJAKGRH-ZBFHGGJFSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1C[N@H+]([C@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540663 804390152 /nfs/dbraw/zinc/39/01/52/804390152.db2.gz BWTKKHRQJAKGRH-ZBFHGGJFSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543106 804390225 /nfs/dbraw/zinc/39/02/25/804390225.db2.gz TWOCXGASIKQGJX-DZJNRPSUSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543106 804390234 /nfs/dbraw/zinc/39/02/34/804390234.db2.gz TWOCXGASIKQGJX-DZJNRPSUSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543109 804391738 /nfs/dbraw/zinc/39/17/38/804391738.db2.gz TWOCXGASIKQGJX-HPBDAGMYSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543109 804391746 /nfs/dbraw/zinc/39/17/46/804391746.db2.gz TWOCXGASIKQGJX-HPBDAGMYSA-N 1 3 272.436 3.239 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@](C)(N)C2)cc1 ZINC001246545054 804393582 /nfs/dbraw/zinc/39/35/82/804393582.db2.gz WSMLEPXNZYFXEJ-WBVHZDCISA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@](C)(N)C2)cc1 ZINC001246545054 804393590 /nfs/dbraw/zinc/39/35/90/804393590.db2.gz WSMLEPXNZYFXEJ-WBVHZDCISA-N 1 3 260.425 3.129 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC001246551263 804400387 /nfs/dbraw/zinc/40/03/87/804400387.db2.gz LRXVSHICJWPZSU-VKJFTORMSA-N 1 3 274.452 3.097 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC001246551263 804400392 /nfs/dbraw/zinc/40/03/92/804400392.db2.gz LRXVSHICJWPZSU-VKJFTORMSA-N 1 3 274.452 3.097 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246563024 804412612 /nfs/dbraw/zinc/41/26/12/804412612.db2.gz ISDKGSUUNORDPI-JWMHWRSXSA-N 1 3 252.446 3.260 20 0 CGADHO CC(C)C1CCC([N@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246563024 804412617 /nfs/dbraw/zinc/41/26/17/804412617.db2.gz ISDKGSUUNORDPI-JWMHWRSXSA-N 1 3 252.446 3.260 20 0 CGADHO NC[C@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584827 804427494 /nfs/dbraw/zinc/42/74/94/804427494.db2.gz VBPUUXDCGBMXIQ-KBAYOESNSA-N 1 3 272.436 3.384 20 0 CGADHO NC[C@H]1CCCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584827 804427498 /nfs/dbraw/zinc/42/74/98/804427498.db2.gz VBPUUXDCGBMXIQ-KBAYOESNSA-N 1 3 272.436 3.384 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)CC2)C[C@H](CC)N1 ZINC001246584430 804428082 /nfs/dbraw/zinc/42/80/82/804428082.db2.gz AMHHWUKPUXPYBD-WCVJEAGWSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)CC2)C[C@H](CC)N1 ZINC001246584430 804428086 /nfs/dbraw/zinc/42/80/86/804428086.db2.gz AMHHWUKPUXPYBD-WCVJEAGWSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589749 804431229 /nfs/dbraw/zinc/43/12/29/804431229.db2.gz FMKFCMJPKPWYPB-QAPCUYQASA-N 1 3 290.426 3.134 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589749 804431231 /nfs/dbraw/zinc/43/12/31/804431231.db2.gz FMKFCMJPKPWYPB-QAPCUYQASA-N 1 3 290.426 3.134 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246589749 804431233 /nfs/dbraw/zinc/43/12/33/804431233.db2.gz FMKFCMJPKPWYPB-QAPCUYQASA-N 1 3 290.426 3.134 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCC[C@@H](C)CC2)C[C@@H](CC)N1 ZINC001246588770 804432248 /nfs/dbraw/zinc/43/22/48/804432248.db2.gz AMHHWUKPUXPYBD-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCC[C@@H](C)CC2)C[C@@H](CC)N1 ZINC001246588770 804432250 /nfs/dbraw/zinc/43/22/50/804432250.db2.gz AMHHWUKPUXPYBD-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO C1C[N@H+](C2CCCCCCC2)[C@@]2(C1)CCCNC2 ZINC001246610292 804444745 /nfs/dbraw/zinc/44/47/45/804444745.db2.gz PBRWIFAYYRMHCA-MRXNPFEDSA-N 1 3 250.430 3.317 20 0 CGADHO C1C[N@@H+](C2CCCCCCC2)[C@@]2(C1)CCCNC2 ZINC001246610292 804444749 /nfs/dbraw/zinc/44/47/49/804444749.db2.gz PBRWIFAYYRMHCA-MRXNPFEDSA-N 1 3 250.430 3.317 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628361 804458439 /nfs/dbraw/zinc/45/84/39/804458439.db2.gz XKWDVTJPIYAFAR-FXUDXRNXSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628361 804458444 /nfs/dbraw/zinc/45/84/44/804458444.db2.gz XKWDVTJPIYAFAR-FXUDXRNXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246640110 804467405 /nfs/dbraw/zinc/46/74/05/804467405.db2.gz BEKVOECWZOFBQY-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC12CCNCC2 ZINC001246640110 804467407 /nfs/dbraw/zinc/46/74/07/804467407.db2.gz BEKVOECWZOFBQY-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246641883 804469333 /nfs/dbraw/zinc/46/93/33/804469333.db2.gz AHEBRRWGLUVILO-NVXWUHKLSA-N 1 3 284.447 3.107 20 0 CGADHO CC1(C)CCC[C@@H](N2CCCC[C@]23CC[NH2+]C3)C1 ZINC001246645277 804472131 /nfs/dbraw/zinc/47/21/31/804472131.db2.gz UTIUPJPHHFAMTQ-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@@H+]2CCCC23CCNCC3)cc1 ZINC001246654740 804480916 /nfs/dbraw/zinc/48/09/16/804480916.db2.gz NNDUSUDOUMGLDD-MRXNPFEDSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@H+]2CCCC23CCNCC3)cc1 ZINC001246654740 804480919 /nfs/dbraw/zinc/48/09/19/804480919.db2.gz NNDUSUDOUMGLDD-MRXNPFEDSA-N 1 3 272.436 3.144 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001246690384 804496874 /nfs/dbraw/zinc/49/68/74/804496874.db2.gz KLEPRGPRGAVYRH-BHUNQDJPSA-N 1 3 282.447 3.225 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001246690384 804496878 /nfs/dbraw/zinc/49/68/78/804496878.db2.gz KLEPRGPRGAVYRH-BHUNQDJPSA-N 1 3 282.447 3.225 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](C2(N)CC2)[C@H](CF)C1 ZINC001246689304 804496964 /nfs/dbraw/zinc/49/69/64/804496964.db2.gz IKUVAGMUBTUWQL-JONQDZQNSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H](C2(N)CC2)[C@H](CF)C1 ZINC001246689304 804496968 /nfs/dbraw/zinc/49/69/68/804496968.db2.gz IKUVAGMUBTUWQL-JONQDZQNSA-N 1 3 284.463 3.456 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(CCc3ccccc3)CC2)CCN1 ZINC001246779473 804506889 /nfs/dbraw/zinc/50/68/89/804506889.db2.gz HSGDPFNAOSFWKK-QFBILLFUSA-N 1 3 286.463 3.472 20 0 CGADHO COc1ccc(C2CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246784228 804510309 /nfs/dbraw/zinc/51/03/09/804510309.db2.gz FNZLZLGIHBQDQO-PBHICJAKSA-N 1 3 288.435 3.015 20 0 CGADHO COc1ccc(C2CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)cc1 ZINC001246784228 804510315 /nfs/dbraw/zinc/51/03/15/804510315.db2.gz FNZLZLGIHBQDQO-PBHICJAKSA-N 1 3 288.435 3.015 20 0 CGADHO CC[C@H]1CC([N@H+](CC2CC2)C(C)C)C[C@H](CC)N1 ZINC001246788646 804513088 /nfs/dbraw/zinc/51/30/88/804513088.db2.gz HQGLGZPXVRACQQ-GJZGRUSLSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@H]1CC([N@@H+](CC2CC2)C(C)C)C[C@H](CC)N1 ZINC001246788646 804513098 /nfs/dbraw/zinc/51/30/98/804513098.db2.gz HQGLGZPXVRACQQ-GJZGRUSLSA-N 1 3 252.446 3.416 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789673 804513384 /nfs/dbraw/zinc/51/33/84/804513384.db2.gz FAUJSJMWIMWBAG-QZTJIDSGSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789673 804513387 /nfs/dbraw/zinc/51/33/87/804513387.db2.gz FAUJSJMWIMWBAG-QZTJIDSGSA-N 1 3 284.447 3.398 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CCN(C3CC[NH2+]CC3)C2)c1 ZINC001246795834 804517779 /nfs/dbraw/zinc/51/77/79/804517779.db2.gz KLKOIGVLKMZKLM-CYBMUJFWSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C3CCNCC3)C2)c1 ZINC001246795834 804517781 /nfs/dbraw/zinc/51/77/81/804517781.db2.gz KLKOIGVLKMZKLM-CYBMUJFWSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CC[N@H+](C3CCNCC3)C2)c1 ZINC001246795834 804517785 /nfs/dbraw/zinc/51/77/85/804517785.db2.gz KLKOIGVLKMZKLM-CYBMUJFWSA-N 1 3 298.352 3.247 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246800724 804521601 /nfs/dbraw/zinc/52/16/01/804521601.db2.gz GICTXJDHGCFUEN-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246800724 804521603 /nfs/dbraw/zinc/52/16/03/804521603.db2.gz GICTXJDHGCFUEN-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO C[NH2+]C1CCN(C2CCC(Cc3ccccc3)CC2)CC1 ZINC001246808730 804526420 /nfs/dbraw/zinc/52/64/20/804526420.db2.gz YQGKXRMQIZSJHF-UHFFFAOYSA-N 1 3 286.463 3.472 20 0 CGADHO Cc1cccc(CCN(C)[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246811958 804528299 /nfs/dbraw/zinc/52/82/99/804528299.db2.gz AYAWNKOGCOVZOK-QGZVFWFLSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1cccc(CC[N@@H+](C)[C@@H]2CCNC3(CCC3)C2)c1 ZINC001246811958 804528305 /nfs/dbraw/zinc/52/83/05/804528305.db2.gz AYAWNKOGCOVZOK-QGZVFWFLSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1cccc(CC[N@H+](C)[C@@H]2CCNC3(CCC3)C2)c1 ZINC001246811958 804528307 /nfs/dbraw/zinc/52/83/07/804528307.db2.gz AYAWNKOGCOVZOK-QGZVFWFLSA-N 1 3 272.436 3.144 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH+]2CCCCCCC2)CCN1 ZINC001246814796 804530446 /nfs/dbraw/zinc/53/04/46/804530446.db2.gz SIRIFWUGSMVMTL-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO C[N@H+](CCc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246824701 804537089 /nfs/dbraw/zinc/53/70/89/804537089.db2.gz RFFSHYXLBGMOKA-MUJYYYPQSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@@H+](CCc1ccccc1Cl)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246824701 804537092 /nfs/dbraw/zinc/53/70/92/804537092.db2.gz RFFSHYXLBGMOKA-MUJYYYPQSA-N 1 3 292.854 3.487 20 0 CGADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246841882 804549755 /nfs/dbraw/zinc/54/97/55/804549755.db2.gz PHHVPFNXLFLUDB-UKRRQHHQSA-N 1 3 292.854 3.129 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2C[C@H]3CCNC[C@H]3C2)CC1 ZINC001246845191 804553314 /nfs/dbraw/zinc/55/33/14/804553314.db2.gz KTLJESBHOCAQHR-QVOMUQBLSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2C[C@H]3CCNC[C@H]3C2)CC1 ZINC001246845191 804553318 /nfs/dbraw/zinc/55/33/18/804553318.db2.gz KTLJESBHOCAQHR-QVOMUQBLSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1CCN ZINC001246848326 804557782 /nfs/dbraw/zinc/55/77/82/804557782.db2.gz UMIVRRYHFBAZJC-ZWKOTPCHSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H]1CCN ZINC001246848326 804557786 /nfs/dbraw/zinc/55/77/86/804557786.db2.gz UMIVRRYHFBAZJC-ZWKOTPCHSA-N 1 3 274.452 3.457 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862661 804568160 /nfs/dbraw/zinc/56/81/60/804568160.db2.gz MKVDKMWDVQIEDC-IAGOWNOFSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862661 804568168 /nfs/dbraw/zinc/56/81/68/804568168.db2.gz MKVDKMWDVQIEDC-IAGOWNOFSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@H](N(C)CCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246862661 804568175 /nfs/dbraw/zinc/56/81/75/804568175.db2.gz MKVDKMWDVQIEDC-IAGOWNOFSA-N 1 3 290.451 3.090 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)CC23CC3)CCN1 ZINC001246892747 804583762 /nfs/dbraw/zinc/58/37/62/804583762.db2.gz IRCWATGDAWXRSQ-KFWWJZLASA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)CC23CC3)CCN1 ZINC001246892747 804583765 /nfs/dbraw/zinc/58/37/65/804583765.db2.gz IRCWATGDAWXRSQ-KFWWJZLASA-N 1 3 250.430 3.172 20 0 CGADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCC[C@@H]3C[C@@H]32)CC[NH2+]1 ZINC001246908054 804593724 /nfs/dbraw/zinc/59/37/24/804593724.db2.gz WZSAXWPAJNBYTB-WCZJQEMASA-N 1 3 288.410 3.412 20 0 CGADHO C[C@@H](c1ccccc1Cl)N(C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246912625 804597482 /nfs/dbraw/zinc/59/74/82/804597482.db2.gz ZNEKKKRLSDKQJN-RYUDHWBXSA-N 1 3 296.867 3.180 20 0 CGADHO CCC[C@@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246935615 804608999 /nfs/dbraw/zinc/60/89/99/804608999.db2.gz GPHMWAJSLBZXRL-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246935615 804609002 /nfs/dbraw/zinc/60/90/02/804609002.db2.gz GPHMWAJSLBZXRL-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246948381 804614714 /nfs/dbraw/zinc/61/47/14/804614714.db2.gz PRINSGGJLPHSPX-WCVJEAGWSA-N 1 3 262.441 3.029 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@H+](C[C@H]1CCCNC1)C1CC1)CC2 ZINC001246975058 804624260 /nfs/dbraw/zinc/62/42/60/804624260.db2.gz RZBMJXPNKDRFQV-OXJNMPFZSA-N 1 3 298.474 3.316 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@@H+](C[C@H]1CCCNC1)C1CC1)CC2 ZINC001246975058 804624263 /nfs/dbraw/zinc/62/42/63/804624263.db2.gz RZBMJXPNKDRFQV-OXJNMPFZSA-N 1 3 298.474 3.316 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977999 804625725 /nfs/dbraw/zinc/62/57/25/804625725.db2.gz GTQXCROGIQCHIM-YTQUADARSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977999 804625728 /nfs/dbraw/zinc/62/57/28/804625728.db2.gz GTQXCROGIQCHIM-YTQUADARSA-N 1 3 286.463 3.472 20 0 CGADHO Cc1ccc2c(C[N@H+](C)CCCN3CCCC3)cccc2n1 ZINC001248566196 804954307 /nfs/dbraw/zinc/95/43/07/804954307.db2.gz ZCEASMPTUYZLKU-UHFFFAOYSA-N 1 3 297.446 3.461 20 0 CGADHO Cc1ccc2c(C[N@@H+](C)CCCN3CCCC3)cccc2n1 ZINC001248566196 804954314 /nfs/dbraw/zinc/95/43/14/804954314.db2.gz ZCEASMPTUYZLKU-UHFFFAOYSA-N 1 3 297.446 3.461 20 0 CGADHO CCCC(CCC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257331479 807112024 /nfs/dbraw/zinc/11/20/24/807112024.db2.gz IAOVALZRIGPAKU-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001167048619 807136374 /nfs/dbraw/zinc/13/63/74/807136374.db2.gz HSCUZDIVCXXKIJ-LSDHHAIUSA-N 1 3 252.446 3.371 20 0 CGADHO CCCC[C@H](CC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257415122 807144618 /nfs/dbraw/zinc/14/46/18/807144618.db2.gz WRJPNKRFTANXKG-KRWDZBQOSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457922 807194708 /nfs/dbraw/zinc/19/47/08/807194708.db2.gz NQFATXHINJAZNH-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457922 807194711 /nfs/dbraw/zinc/19/47/11/807194711.db2.gz NQFATXHINJAZNH-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccc3ccn(C)c3c2)CC1 ZINC001258008832 807265023 /nfs/dbraw/zinc/26/50/23/807265023.db2.gz GMTHYVNZLJGLIL-UHFFFAOYSA-N 1 3 299.462 3.388 20 0 CGADHO CC[C@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167989155 807292230 /nfs/dbraw/zinc/29/22/30/807292230.db2.gz YBLQLMZNUXAFET-NTQSIJHJSA-N 1 3 250.430 3.122 20 0 CGADHO CC[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167989155 807292237 /nfs/dbraw/zinc/29/22/37/807292237.db2.gz YBLQLMZNUXAFET-NTQSIJHJSA-N 1 3 250.430 3.122 20 0 CGADHO CC1CN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168040061 807301948 /nfs/dbraw/zinc/30/19/48/807301948.db2.gz KCBCRJFBACQHFO-HOTGVXAUSA-N 1 3 272.436 3.380 20 0 CGADHO C[C@@H]1C[C@@H](N2CC=CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041595 807303336 /nfs/dbraw/zinc/30/33/36/807303336.db2.gz UASCDMQHUCBXHY-ALXJQNPVSA-N 1 3 270.420 3.300 20 0 CGADHO C[C@@H]1C[C@@H](N2CC=CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041595 807303346 /nfs/dbraw/zinc/30/33/46/807303346.db2.gz UASCDMQHUCBXHY-ALXJQNPVSA-N 1 3 270.420 3.300 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001168091921 807309642 /nfs/dbraw/zinc/30/96/42/807309642.db2.gz CPIPIRBZERXSHI-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1CC([NH+]2CCN(c3ccncc3)CC2)C[C@H](C)C1 ZINC001258162148 807330241 /nfs/dbraw/zinc/33/02/41/807330241.db2.gz HYVWOUXGPNQJOD-HUUCEWRRSA-N 1 3 273.424 3.028 20 0 CGADHO CCN(CC)Cc1cccc(NC2(C)CC[NH2+]CC2)c1F ZINC001168189547 807341401 /nfs/dbraw/zinc/34/14/01/807341401.db2.gz UWRSFWAPRZZBKB-UHFFFAOYSA-N 1 3 293.430 3.222 20 0 CGADHO C[C@@H](Cc1ccco1)NC1CC[NH+](CC(C)(C)C)CC1 ZINC001258181633 807346942 /nfs/dbraw/zinc/34/69/42/807346942.db2.gz RDNHYEDWGCIHMH-AWEZNQCLSA-N 1 3 278.440 3.311 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCCC(C)(C)C3)C[C@H]2C1 ZINC001258293679 807401588 /nfs/dbraw/zinc/40/15/88/807401588.db2.gz POQLLBYAJDWLGH-BZUAXINKSA-N 1 3 264.457 3.229 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)CC(C)(C)SC ZINC001258320317 807408680 /nfs/dbraw/zinc/40/86/80/807408680.db2.gz QARVTYSFHHKFPY-ZDUSSCGKSA-N 1 3 260.491 3.228 20 0 CGADHO COc1cccc(C2([NH3+])CCN([C@@H](C)CC3CC3)CC2)c1 ZINC001258453258 807459511 /nfs/dbraw/zinc/45/95/11/807459511.db2.gz NLAPTLMZGVBPSC-AWEZNQCLSA-N 1 3 288.435 3.134 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258455681 807461897 /nfs/dbraw/zinc/46/18/97/807461897.db2.gz UBINUBVBCVELRJ-LBPRGKRZSA-N 1 3 252.446 3.416 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001169081634 807568840 /nfs/dbraw/zinc/56/88/40/807568840.db2.gz UWHFPEBGISJWQB-QKDCVEJESA-N 1 3 264.800 3.055 20 0 CGADHO CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC ZINC001169108627 807578351 /nfs/dbraw/zinc/57/83/51/807578351.db2.gz UERCZFWDJUZPET-IVSAIRAKSA-N 1 3 288.435 3.361 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCCN1C ZINC001258740165 807585018 /nfs/dbraw/zinc/58/50/18/807585018.db2.gz MUCCYTIXDXGOHE-BBRMVZONSA-N 1 3 280.843 3.345 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001258747506 807590172 /nfs/dbraw/zinc/59/01/72/807590172.db2.gz RGWUNYOTXNMXTR-IMJJTQAJSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001258747506 807590176 /nfs/dbraw/zinc/59/01/76/807590176.db2.gz RGWUNYOTXNMXTR-IMJJTQAJSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001258747505 807590556 /nfs/dbraw/zinc/59/05/56/807590556.db2.gz RGWUNYOTXNMXTR-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001258747505 807590561 /nfs/dbraw/zinc/59/05/61/807590561.db2.gz RGWUNYOTXNMXTR-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO CC[NH+]1CCC(NC(C)(C)c2ccc(F)cc2)CC1 ZINC001169238928 807612789 /nfs/dbraw/zinc/61/27/89/807612789.db2.gz OHOZXXJHUSGQOD-UHFFFAOYSA-N 1 3 264.388 3.135 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C(C)=O)c1ccccc1 ZINC001258899430 807668812 /nfs/dbraw/zinc/66/88/12/807668812.db2.gz LJBVCVAVSWGYMN-YJBOKZPZSA-N 1 3 290.451 3.417 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001170116363 807762698 /nfs/dbraw/zinc/76/26/98/807762698.db2.gz FFGLITKSVYGKRJ-CJNGLKHVSA-N 1 3 276.399 3.264 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCCN1C ZINC001170255677 807806816 /nfs/dbraw/zinc/80/68/16/807806816.db2.gz VHEFGDRKEQZZPH-ZFWWWQNUSA-N 1 3 280.843 3.345 20 0 CGADHO Cc1ccc2c(c1)nccc2NC[C@H]1CCCC[NH2+]1 ZINC001171337873 808031952 /nfs/dbraw/zinc/03/19/52/808031952.db2.gz BNUBACAZHYUMGK-CYBMUJFWSA-N 1 3 255.365 3.097 20 0 CGADHO CN1C(C)(C)CC([NH2+]C2CC(C)(C)C2)CC1(C)C ZINC001171624519 808106167 /nfs/dbraw/zinc/10/61/67/808106167.db2.gz UZYWVRIBRFHXRP-UHFFFAOYSA-N 1 3 252.446 3.416 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](F)CC2)CC1(C)C ZINC001171630798 808107739 /nfs/dbraw/zinc/10/77/39/808107739.db2.gz CCGKZALPRJMFTJ-ZDUSSCGKSA-N 1 3 270.436 3.462 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](F)CC2)CC1(C)C ZINC001171630798 808107742 /nfs/dbraw/zinc/10/77/42/808107742.db2.gz CCGKZALPRJMFTJ-ZDUSSCGKSA-N 1 3 270.436 3.462 20 0 CGADHO CCO[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637845 808109119 /nfs/dbraw/zinc/10/91/19/808109119.db2.gz PRIQAGKQNOCIJW-HNNXBMFYSA-N 1 3 282.472 3.139 20 0 CGADHO CCO[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637845 808109122 /nfs/dbraw/zinc/10/91/22/808109122.db2.gz PRIQAGKQNOCIJW-HNNXBMFYSA-N 1 3 282.472 3.139 20 0 CGADHO NCCC[N@H+]([C@H]1Cc2cccc(F)c2C1)C1CCCCC1 ZINC001171772895 808134659 /nfs/dbraw/zinc/13/46/59/808134659.db2.gz FXVILDAMCCJSLX-INIZCTEOSA-N 1 3 290.426 3.276 20 0 CGADHO NCCC[N@@H+]([C@H]1Cc2cccc(F)c2C1)C1CCCCC1 ZINC001171772895 808134661 /nfs/dbraw/zinc/13/46/61/808134661.db2.gz FXVILDAMCCJSLX-INIZCTEOSA-N 1 3 290.426 3.276 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CCC(N(C)C3CC3)CC2)C[C@H]1C ZINC001172375593 808270366 /nfs/dbraw/zinc/27/03/66/808270366.db2.gz DHOYMJMBWYOWTJ-CPUCHLNUSA-N 1 3 264.457 3.370 20 0 CGADHO CCCOC1CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001173094180 808506521 /nfs/dbraw/zinc/50/65/21/808506521.db2.gz ITAAHCGXWQIPFX-GMRIPVOYSA-N 1 3 282.472 3.187 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([N@H+](CC)[C@H]3CCOC3)CC2)C1 ZINC001173288562 808588201 /nfs/dbraw/zinc/58/82/01/808588201.db2.gz NNGHIBYERAICQA-NXHRZFHOSA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)C1 ZINC001173288562 808588208 /nfs/dbraw/zinc/58/82/08/808588208.db2.gz NNGHIBYERAICQA-NXHRZFHOSA-N 1 3 294.483 3.140 20 0 CGADHO CCSC[C@@H](C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173290588 808591437 /nfs/dbraw/zinc/59/14/37/808591437.db2.gz DYQBAHYFQKJKES-QLFBSQMISA-N 1 3 272.502 3.086 20 0 CGADHO CCSC[C@@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173290588 808591443 /nfs/dbraw/zinc/59/14/43/808591443.db2.gz DYQBAHYFQKJKES-QLFBSQMISA-N 1 3 272.502 3.086 20 0 CGADHO CCSC[C@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001173299174 808599957 /nfs/dbraw/zinc/59/99/57/808599957.db2.gz SCAJYPKQUKOSJM-HNNXBMFYSA-N 1 3 292.492 3.164 20 0 CGADHO Cc1ccc(F)cc1CN1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275308574 808927502 /nfs/dbraw/zinc/92/75/02/808927502.db2.gz QHRCAJNGDRWPRD-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1ccc(F)cc1CN1CCC2(CC[N@H+](C)C2)CC1 ZINC001275308574 808927509 /nfs/dbraw/zinc/92/75/09/808927509.db2.gz QHRCAJNGDRWPRD-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1ccsc1CN1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275859602 808970954 /nfs/dbraw/zinc/97/09/54/808970954.db2.gz NCAPKVWUMAZZCP-MRXNPFEDSA-N 1 3 278.465 3.364 20 0 CGADHO Cc1ccsc1CN1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275859602 808970956 /nfs/dbraw/zinc/97/09/56/808970956.db2.gz NCAPKVWUMAZZCP-MRXNPFEDSA-N 1 3 278.465 3.364 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3sccc3C)(C1)CCC2 ZINC001275859795 808971112 /nfs/dbraw/zinc/97/11/12/808971112.db2.gz VKJKIOHZGCORHS-LSDHHAIUSA-N 1 3 264.438 3.211 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cc(C)c(O)cc3C)(C1)CCC2 ZINC001275971717 808980396 /nfs/dbraw/zinc/98/03/96/808980396.db2.gz VOUILOBGZOMFFM-ZWKOTPCHSA-N 1 3 288.435 3.163 20 0 CGADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202211 809307253 /nfs/dbraw/zinc/30/72/53/809307253.db2.gz CUEPIVGRJOCIKO-RVKKMQEKSA-N 1 3 288.410 3.087 20 0 CGADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202211 809307260 /nfs/dbraw/zinc/30/72/60/809307260.db2.gz CUEPIVGRJOCIKO-RVKKMQEKSA-N 1 3 288.410 3.087 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCN3C)C2)c(C)c1 ZINC001175445097 809409997 /nfs/dbraw/zinc/40/99/97/809409997.db2.gz VNRUBGKGVPEWFA-AEFFLSMTSA-N 1 3 272.436 3.138 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCN3C)C2)c(C)c1 ZINC001175445097 809410001 /nfs/dbraw/zinc/41/00/01/809410001.db2.gz VNRUBGKGVPEWFA-AEFFLSMTSA-N 1 3 272.436 3.138 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CC1(C)C ZINC001183918979 810169610 /nfs/dbraw/zinc/16/96/10/810169610.db2.gz DPXPMWOWMQRNID-YESZJQIVSA-N 1 3 289.467 3.489 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@H]2C1 ZINC001184388762 810196996 /nfs/dbraw/zinc/19/69/96/810196996.db2.gz SQXQSLGUWNLLSK-UOLGJIMMSA-N 1 3 284.447 3.037 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)[C@H]2C1 ZINC001184389586 810197660 /nfs/dbraw/zinc/19/76/60/810197660.db2.gz YLEPPIMBDSOGNZ-FSGKZVOOSA-N 1 3 298.474 3.328 20 0 CGADHO CSCCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201696211 811938664 /nfs/dbraw/zinc/93/86/64/811938664.db2.gz HNSQMDNHDHTVSU-GJZGRUSLSA-N 1 3 270.486 3.078 20 0 CGADHO CSCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201696211 811938667 /nfs/dbraw/zinc/93/86/67/811938667.db2.gz HNSQMDNHDHTVSU-GJZGRUSLSA-N 1 3 270.486 3.078 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001203136495 812251345 /nfs/dbraw/zinc/25/13/45/812251345.db2.gz PSTDNFQMMLTXEG-HNNXBMFYSA-N 1 3 264.457 3.421 20 0 CGADHO CCCCN1CCC([N@H+](C)Cc2cccs2)CC1 ZINC001204016760 812520598 /nfs/dbraw/zinc/52/05/98/812520598.db2.gz IPPBUEHGUAXLAW-UHFFFAOYSA-N 1 3 266.454 3.444 20 0 CGADHO CCCCN1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC001204016760 812520606 /nfs/dbraw/zinc/52/06/06/812520606.db2.gz IPPBUEHGUAXLAW-UHFFFAOYSA-N 1 3 266.454 3.444 20 0 CGADHO CC(C)c1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001204168977 812563123 /nfs/dbraw/zinc/56/31/23/812563123.db2.gz ZEAIBSIWTSAYDR-UHFFFAOYSA-N 1 3 272.436 3.338 20 0 CGADHO CC(C)(O)CCCC1=CC[C@H](CN2CC[C@](C)([NH3+])C2)CC1 ZINC001204764380 812729871 /nfs/dbraw/zinc/72/98/71/812729871.db2.gz YFTIDNLKGHNJLM-WMZOPIPTSA-N 1 3 294.483 3.077 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC[C@H](C)CC(C)(C)C)C1 ZINC001205001915 812819567 /nfs/dbraw/zinc/81/95/67/812819567.db2.gz XLCJZIATGZTQBU-LSDHHAIUSA-N 1 3 254.462 3.380 20 0 CGADHO [NH3+]CC1CCN(Cc2ccnc3c(Cl)cccc23)CC1 ZINC001205053455 812840798 /nfs/dbraw/zinc/84/07/98/812840798.db2.gz NHKVCTUTCVDMFO-UHFFFAOYSA-N 1 3 289.810 3.059 20 0 CGADHO C[C@H]1CN(Cc2cccc3c(F)cccc23)C[C@H]1C[NH3+] ZINC001205150693 812887043 /nfs/dbraw/zinc/88/70/43/812887043.db2.gz HOCTVFRVWHOJCR-GXTWGEPZSA-N 1 3 272.367 3.006 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001205170737 812898037 /nfs/dbraw/zinc/89/80/37/812898037.db2.gz CCIXCPRMIRCTLM-HYVNUMGLSA-N 1 3 294.483 3.076 20 0 CGADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205264300 812922038 /nfs/dbraw/zinc/92/20/38/812922038.db2.gz JJTNCJMJSNYJIZ-SFHVURJKSA-N 1 3 298.434 3.088 20 0 CGADHO C[C@H]1CC[N@H+](CCCCCc2ccccc2)C[C@H]1CN ZINC001205295538 812935682 /nfs/dbraw/zinc/93/56/82/812935682.db2.gz ABERXPFSGWVHSB-FUHWJXTLSA-N 1 3 274.452 3.316 20 0 CGADHO C[C@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@H]1CN ZINC001205295538 812935688 /nfs/dbraw/zinc/93/56/88/812935688.db2.gz ABERXPFSGWVHSB-FUHWJXTLSA-N 1 3 274.452 3.316 20 0 CGADHO C[C@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)C[C@@H]1CN ZINC001205296018 812935867 /nfs/dbraw/zinc/93/58/67/812935867.db2.gz DTBBXJFOSKOMBP-IRXDYDNUSA-N 1 3 286.463 3.415 20 0 CGADHO C[C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@@H]1CN ZINC001205296018 812935872 /nfs/dbraw/zinc/93/58/72/812935872.db2.gz DTBBXJFOSKOMBP-IRXDYDNUSA-N 1 3 286.463 3.415 20 0 CGADHO CC/C=C\CCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001205296828 812937814 /nfs/dbraw/zinc/93/78/14/812937814.db2.gz ULPMXWSYRVXXCY-UDLYIEAKSA-N 1 3 252.446 3.430 20 0 CGADHO CC/C=C\CCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001205296828 812937818 /nfs/dbraw/zinc/93/78/18/812937818.db2.gz ULPMXWSYRVXXCY-UDLYIEAKSA-N 1 3 252.446 3.430 20 0 CGADHO C[C@H]1CCN(Cc2ccc3ccsc3c2)C[C@@H]1C[NH3+] ZINC001205303827 812941958 /nfs/dbraw/zinc/94/19/58/812941958.db2.gz LCLGSWZQGNBDEV-WFASDCNBSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCc2ccccc2)C[C@@H]1N ZINC001205862941 813112988 /nfs/dbraw/zinc/11/29/88/813112988.db2.gz DBKDZGMONWVWHZ-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@@H]1N ZINC001205862941 813112992 /nfs/dbraw/zinc/11/29/92/813112992.db2.gz DBKDZGMONWVWHZ-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1CN(Cc2ccc(Cl)cc2F)CCC[C@@H]1C[NH3+] ZINC001205993680 813155178 /nfs/dbraw/zinc/15/51/78/813155178.db2.gz IGRSKQFNIJRKJW-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2ccsc2Cl)CCC[C@@H]1C[NH3+] ZINC001206011140 813163977 /nfs/dbraw/zinc/16/39/77/813163977.db2.gz AFAZXBDAFALCRL-WDEREUQCSA-N 1 3 272.845 3.208 20 0 CGADHO C[C@@H]1CN(Cc2csc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206014012 813166403 /nfs/dbraw/zinc/16/64/03/813166403.db2.gz UZVPJGRTDVNHGL-ZYHUDNBSSA-N 1 3 272.845 3.208 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)nc1C ZINC001206036369 813175654 /nfs/dbraw/zinc/17/56/54/813175654.db2.gz IWXRUHQGOCQJLI-OCCSQVGLSA-N 1 3 295.858 3.159 20 0 CGADHO CCCCc1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206189827 813233569 /nfs/dbraw/zinc/23/35/69/813233569.db2.gz XQWYINRZJIEQFJ-SJORKVTESA-N 1 3 278.415 3.290 20 0 CGADHO CCSc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206212955 813242234 /nfs/dbraw/zinc/24/22/34/813242234.db2.gz TZUGEFSGJXRBIE-KGLIPLIRSA-N 1 3 282.428 3.060 20 0 CGADHO CCSc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206212955 813242241 /nfs/dbraw/zinc/24/22/41/813242241.db2.gz TZUGEFSGJXRBIE-KGLIPLIRSA-N 1 3 282.428 3.060 20 0 CGADHO C[C@H]1CNCCC[N@@H+]1Cc1cccc2ccccc21 ZINC001206257443 813258733 /nfs/dbraw/zinc/25/87/33/813258733.db2.gz FXIPADMWLAJNOV-AWEZNQCLSA-N 1 3 254.377 3.024 20 0 CGADHO C[C@H]1CNCCC[N@H+]1Cc1cccc2ccccc21 ZINC001206257443 813258736 /nfs/dbraw/zinc/25/87/36/813258736.db2.gz FXIPADMWLAJNOV-AWEZNQCLSA-N 1 3 254.377 3.024 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001206293266 813274838 /nfs/dbraw/zinc/27/48/38/813274838.db2.gz GXXRFNXULOGQOM-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO CC(C)[N@H+](C[C@@H]1CC=CCC1)[C@H]1CCCNCC1 ZINC001206583736 813363795 /nfs/dbraw/zinc/36/37/95/813363795.db2.gz VYHBNIJTUIHCAN-CVEARBPZSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)[N@@H+](C[C@@H]1CC=CCC1)[C@H]1CCCNCC1 ZINC001206583736 813363802 /nfs/dbraw/zinc/36/38/02/813363802.db2.gz VYHBNIJTUIHCAN-CVEARBPZSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)[N@H+](C[C@H]1CC=CCC1)[C@@H]1CCCNCC1 ZINC001206583739 813364308 /nfs/dbraw/zinc/36/43/08/813364308.db2.gz VYHBNIJTUIHCAN-JKSUJKDBSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)[N@@H+](C[C@H]1CC=CCC1)[C@@H]1CCCNCC1 ZINC001206583739 813364313 /nfs/dbraw/zinc/36/43/13/813364313.db2.gz VYHBNIJTUIHCAN-JKSUJKDBSA-N 1 3 250.430 3.195 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206616513 813375059 /nfs/dbraw/zinc/37/50/59/813375059.db2.gz PTEOZNAYNFIRAU-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CCC(c2ccccc2)CC1 ZINC001207279961 813533281 /nfs/dbraw/zinc/53/32/81/813533281.db2.gz PSBZGFPVMUYCRR-UHFFFAOYSA-N 1 3 274.452 3.454 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001207283583 813533326 /nfs/dbraw/zinc/53/33/26/813533326.db2.gz ANPAARQSDBIMKP-INIZCTEOSA-N 1 3 275.440 3.196 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001207283583 813533333 /nfs/dbraw/zinc/53/33/33/813533333.db2.gz ANPAARQSDBIMKP-INIZCTEOSA-N 1 3 275.440 3.196 20 0 CGADHO CC1=C[C@@H](C)[C@@H](C[NH+]2CC3(C2)CCN(CC2CC2)C3)CC1 ZINC001208172650 813726988 /nfs/dbraw/zinc/72/69/88/813726988.db2.gz ZLHFAJJCJHLNOE-SJLPKXTDSA-N 1 3 288.479 3.397 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612643 813775502 /nfs/dbraw/zinc/77/55/02/813775502.db2.gz MYYNSJZJPMKPRG-GDBMZVCRSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612643 813775503 /nfs/dbraw/zinc/77/55/03/813775503.db2.gz MYYNSJZJPMKPRG-GDBMZVCRSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@H](CC[NH+]1CCC2(CN(C)C2)CC1)CC(C)(C)C ZINC001208665738 813789494 /nfs/dbraw/zinc/78/94/94/813789494.db2.gz RXWOLYPDBTUKCK-OAHLLOKOSA-N 1 3 266.473 3.476 20 0 CGADHO CCOC(C)(C)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209075982 813927611 /nfs/dbraw/zinc/92/76/11/813927611.db2.gz ADWQBQKZNWKWTK-HOTGVXAUSA-N 1 3 282.472 3.140 20 0 CGADHO CCOC(C)(C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209075982 813927617 /nfs/dbraw/zinc/92/76/17/813927617.db2.gz ADWQBQKZNWKWTK-HOTGVXAUSA-N 1 3 282.472 3.140 20 0 CGADHO c1cc(N2CCCCC2)cc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001242674686 823094516 /nfs/dbraw/zinc/09/45/16/823094516.db2.gz YEEMOZBHLBOLLF-UHFFFAOYSA-N 1 3 279.387 3.342 20 0 CGADHO Clc1cccc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC001210517933 814503956 /nfs/dbraw/zinc/50/39/56/814503956.db2.gz AZXJZBOOZUYPJZ-CYBMUJFWSA-N 1 3 278.827 3.129 20 0 CGADHO CN(C)Cc1c(O[C@@H]2CCC[NH2+]C2)ccc2ccccc21 ZINC001217961699 816018791 /nfs/dbraw/zinc/01/87/91/816018791.db2.gz JFMCQSOYFDOKCX-OAHLLOKOSA-N 1 3 284.403 3.032 20 0 CGADHO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2ccccc2c1CN(C)C ZINC001218415428 816204529 /nfs/dbraw/zinc/20/45/29/816204529.db2.gz OMQXFMBJQPGCEY-KSSFIOAISA-N 1 3 298.430 3.278 20 0 CGADHO C[NH+](C)CCc1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218486892 816242023 /nfs/dbraw/zinc/24/20/23/816242023.db2.gz GERFSDSJFMYVKI-IBGZPJMESA-N 1 3 296.414 3.014 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001222537409 816463605 /nfs/dbraw/zinc/46/36/05/816463605.db2.gz AWNDRFODLZFJKR-UHFFFAOYSA-N 1 3 295.789 3.084 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC001232146403 818264675 /nfs/dbraw/zinc/26/46/75/818264675.db2.gz PQUXNTLBIHBQMR-UHFFFAOYSA-N 1 3 276.399 3.263 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC3(CCC3)C2)c1 ZINC001232146403 818264676 /nfs/dbraw/zinc/26/46/76/818264676.db2.gz PQUXNTLBIHBQMR-UHFFFAOYSA-N 1 3 276.399 3.263 20 0 CGADHO Cc1cc(CN(C)CC2CC[NH+](C)CC2)c(F)cc1F ZINC001232781913 818437526 /nfs/dbraw/zinc/43/75/26/818437526.db2.gz CUDQLUVPPBHHIV-UHFFFAOYSA-N 1 3 282.378 3.047 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccccc1-n1cccc1)CC2 ZINC001232912494 818473769 /nfs/dbraw/zinc/47/37/69/818473769.db2.gz OEEQNGZGFRBSQB-UHFFFAOYSA-N 1 3 295.430 3.005 20 0 CGADHO Cc1c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cccc1-c1ccccc1 ZINC001234978623 818968075 /nfs/dbraw/zinc/96/80/75/818968075.db2.gz BBHDPGHCEUMLST-KDURUIRLSA-N 1 3 292.426 3.313 20 0 CGADHO Cc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001235031660 818984759 /nfs/dbraw/zinc/98/47/59/818984759.db2.gz NFHCRMJISBWJFS-IBGZPJMESA-N 1 3 280.415 3.334 20 0 CGADHO CCCCc1ccc(CN2CC3(C2)CC[NH2+]CC3)s1 ZINC001235088443 818997497 /nfs/dbraw/zinc/99/74/97/818997497.db2.gz GWEFSVRZPWTBPP-UHFFFAOYSA-N 1 3 278.465 3.276 20 0 CGADHO Cc1csc(CN2CCC3(CC[NH2+]C3)CC2)c1Cl ZINC001235104281 819003537 /nfs/dbraw/zinc/00/35/37/819003537.db2.gz PWLVSKOHHBZLCM-UHFFFAOYSA-N 1 3 284.856 3.285 20 0 CGADHO c1ccc(CCCC[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235141251 819015294 /nfs/dbraw/zinc/01/52/94/819015294.db2.gz QDKVJAQORXVXFT-UHFFFAOYSA-N 1 3 272.436 3.227 20 0 CGADHO c1ccc(CCCC[N@H+]2CCCC23CCNCC3)cc1 ZINC001235141251 819015298 /nfs/dbraw/zinc/01/52/98/819015298.db2.gz QDKVJAQORXVXFT-UHFFFAOYSA-N 1 3 272.436 3.227 20 0 CGADHO c1ccc2c(c1)CCC21CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235154173 819017697 /nfs/dbraw/zinc/01/76/97/819017697.db2.gz UVBMVZRTCFRHCC-SFHVURJKSA-N 1 3 298.474 3.499 20 0 CGADHO c1cc2cc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)ncc2o1 ZINC001235239544 819045005 /nfs/dbraw/zinc/04/50/05/819045005.db2.gz KIRJWHBYEAMVRF-KRWDZBQOSA-N 1 3 299.418 3.182 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235273343 819059937 /nfs/dbraw/zinc/05/99/37/819059937.db2.gz RHVXDVXXHMQNTJ-QFBILLFUSA-N 1 3 280.415 3.332 20 0 CGADHO CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360800 819078261 /nfs/dbraw/zinc/07/82/61/819078261.db2.gz BYMNXEWGIZOIJV-OALUTQOASA-N 1 3 286.463 3.430 20 0 CGADHO CCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235360800 819078266 /nfs/dbraw/zinc/07/82/66/819078266.db2.gz BYMNXEWGIZOIJV-OALUTQOASA-N 1 3 286.463 3.430 20 0 CGADHO CCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363554 819079542 /nfs/dbraw/zinc/07/95/42/819079542.db2.gz RPBVLORGQFYWIX-MSOLQXFVSA-N 1 3 272.436 3.040 20 0 CGADHO CCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363554 819079547 /nfs/dbraw/zinc/07/95/47/819079547.db2.gz RPBVLORGQFYWIX-MSOLQXFVSA-N 1 3 272.436 3.040 20 0 CGADHO CC(C)(C)CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377830 819081474 /nfs/dbraw/zinc/08/14/74/819081474.db2.gz DUXZFECBFFBHKK-AEFFLSMTSA-N 1 3 272.436 3.112 20 0 CGADHO c1ccc(C[C@H]2CCCN(CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672301 819133279 /nfs/dbraw/zinc/13/32/79/819133279.db2.gz ALYLHKYLZGTGEV-MOPGFXCFSA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc([C@H]2CCCN(CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667228 819133862 /nfs/dbraw/zinc/13/38/62/819133862.db2.gz WGLJXGMUAIHZQE-ZWKOTPCHSA-N 1 3 272.436 3.398 20 0 CGADHO Cc1cc(OC(C)C)cc(C)c1CN1CCC[C@H](C[NH3+])C1 ZINC001235673522 819133877 /nfs/dbraw/zinc/13/38/77/819133877.db2.gz BPQPFDBWXDASQL-MRXNPFEDSA-N 1 3 290.451 3.261 20 0 CGADHO Cc1ccc(-c2ccc(CN3CCC[C@@H](C[NH3+])C3)cc2)o1 ZINC001235675193 819134779 /nfs/dbraw/zinc/13/47/79/819134779.db2.gz KLDHTXUGYFFSEL-INIZCTEOSA-N 1 3 284.403 3.426 20 0 CGADHO CC(C)=CCC[C@@H](C)CCN1CCCC2(C[NH2+]C2)C1 ZINC001235711553 819148176 /nfs/dbraw/zinc/14/81/76/819148176.db2.gz QSQZNHFZLQLSJT-MRXNPFEDSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCCC2(CNC2)C1 ZINC001235711553 819148180 /nfs/dbraw/zinc/14/81/80/819148180.db2.gz QSQZNHFZLQLSJT-MRXNPFEDSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1CCCC2(CNC2)C1 ZINC001235711553 819148186 /nfs/dbraw/zinc/14/81/86/819148186.db2.gz QSQZNHFZLQLSJT-MRXNPFEDSA-N 1 3 264.457 3.444 20 0 CGADHO C[NH2+]C1CCN(CC[C@H](C)CCC=C(C)C)CC1 ZINC001235789515 819169820 /nfs/dbraw/zinc/16/98/20/819169820.db2.gz TZTRNANIKJYRRD-OAHLLOKOSA-N 1 3 252.446 3.443 20 0 CGADHO C[Si](C)(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC001235824866 819176734 /nfs/dbraw/zinc/17/67/34/819176734.db2.gz CPQFLJJKIJLYPH-KRWDZBQOSA-N 1 3 290.527 3.366 20 0 CGADHO C[Si](C)(C)C[N@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC001235824866 819176740 /nfs/dbraw/zinc/17/67/40/819176740.db2.gz CPQFLJJKIJLYPH-KRWDZBQOSA-N 1 3 290.527 3.366 20 0 CGADHO FC1(CN2CC[C@H](c3ccccc3Cl)C2)CC[NH2+]CC1 ZINC001235824890 819177012 /nfs/dbraw/zinc/17/70/12/819177012.db2.gz CTXJAXMVKQGGDB-ZDUSSCGKSA-N 1 3 296.817 3.221 20 0 CGADHO c1csc(-c2ccc(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235935449 819233313 /nfs/dbraw/zinc/23/33/13/819233313.db2.gz DQDSDGWRJWOCSO-IAGOWNOFSA-N 1 3 298.455 3.456 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235960531 819249815 /nfs/dbraw/zinc/24/98/15/819249815.db2.gz YULSPGZBJLVZDE-SCAQPMJSSA-N 1 3 272.436 3.153 20 0 CGADHO N[C@]12CC[C@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989716 819262715 /nfs/dbraw/zinc/26/27/15/819262715.db2.gz JOTNJSOTRHKKHT-LPHOPBHVSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@]12CC[C@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989716 819262720 /nfs/dbraw/zinc/26/27/20/819262720.db2.gz JOTNJSOTRHKKHT-LPHOPBHVSA-N 1 3 296.389 3.416 20 0 CGADHO [NH3+]Cc1ccnc(-c2cccc(CN3CCCCC3)c2F)c1 ZINC001236002804 819269457 /nfs/dbraw/zinc/26/94/57/819269457.db2.gz NJEZVVFDJRJEFR-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO COc1ccc([C@@H]2CCN(CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001236097584 819316016 /nfs/dbraw/zinc/31/60/16/819316016.db2.gz LDRHBXCDOBLNIS-SJORKVTESA-N 1 3 288.435 3.017 20 0 CGADHO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236214728 819378258 /nfs/dbraw/zinc/37/82/58/819378258.db2.gz UZIZTEMUYPEILL-HOTGVXAUSA-N 1 3 276.424 3.014 20 0 CGADHO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236214728 819378263 /nfs/dbraw/zinc/37/82/63/819378263.db2.gz UZIZTEMUYPEILL-HOTGVXAUSA-N 1 3 276.424 3.014 20 0 CGADHO Cc1ccc(F)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236314969 819421007 /nfs/dbraw/zinc/42/10/07/819421007.db2.gz JEEJONXJHJOYKM-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO CCCCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372690 819441178 /nfs/dbraw/zinc/44/11/78/819441178.db2.gz SSYRGASRSXYXOT-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372690 819441183 /nfs/dbraw/zinc/44/11/83/819441183.db2.gz SSYRGASRSXYXOT-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001236417170 819463364 /nfs/dbraw/zinc/46/33/64/819463364.db2.gz XLQSQEGQCRXRHL-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001236417170 819463367 /nfs/dbraw/zinc/46/33/67/819463367.db2.gz XLQSQEGQCRXRHL-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CC[C@](C)(CN)C2)c(C)c1C ZINC001236603653 819550231 /nfs/dbraw/zinc/55/02/31/819550231.db2.gz BNMZHECBQMZSOW-GOSISDBHSA-N 1 3 274.452 3.399 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CC[C@](C)(CN)C2)c(C)c1C ZINC001236603653 819550234 /nfs/dbraw/zinc/55/02/34/819550234.db2.gz BNMZHECBQMZSOW-GOSISDBHSA-N 1 3 274.452 3.399 20 0 CGADHO Cc1cc(OC(C)C)cc(C)c1CN1CC[C@](C)(C[NH3+])C1 ZINC001236616476 819554099 /nfs/dbraw/zinc/55/40/99/819554099.db2.gz NTZXVSXJWYYYHW-GOSISDBHSA-N 1 3 290.451 3.261 20 0 CGADHO c1cc(C[N@H+](C2CCC2)C2CCNCC2)cc2c1CCC2 ZINC001236634438 819556788 /nfs/dbraw/zinc/55/67/88/819556788.db2.gz SIPPNILAYRDTBQ-UHFFFAOYSA-N 1 3 284.447 3.282 20 0 CGADHO c1cc(C[N@@H+](C2CCC2)C2CCNCC2)cc2c1CCC2 ZINC001236634438 819556792 /nfs/dbraw/zinc/55/67/92/819556792.db2.gz SIPPNILAYRDTBQ-UHFFFAOYSA-N 1 3 284.447 3.282 20 0 CGADHO c1cc(CN(C2CCC2)C2CC[NH2+]CC2)cc2c1CCC2 ZINC001236634438 819556797 /nfs/dbraw/zinc/55/67/97/819556797.db2.gz SIPPNILAYRDTBQ-UHFFFAOYSA-N 1 3 284.447 3.282 20 0 CGADHO C[NH+]1CCC2(CN(Cc3cc(O)cc4ccccc43)C2)CC1 ZINC001237077259 819660964 /nfs/dbraw/zinc/66/09/64/819660964.db2.gz SZFUAOXGXRPKLN-UHFFFAOYSA-N 1 3 296.414 3.073 20 0 CGADHO COCCCC1(C[NH2+]C[C@H]2CCCN(C(C)C)C2)CCC1 ZINC001335441561 936146011 /nfs/dbraw/zinc/14/60/11/936146011.db2.gz PPGQMTDIYGMLHE-QGZVFWFLSA-N 1 3 296.499 3.293 20 0 CGADHO COc1cc(CN(CCC[NH3+])CC2CCCC2)ccc1F ZINC001349325317 936946503 /nfs/dbraw/zinc/94/65/03/936946503.db2.gz NQUAHFHCXYCQIP-UHFFFAOYSA-N 1 3 294.414 3.175 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001351282268 937013308 /nfs/dbraw/zinc/01/33/08/937013308.db2.gz BYAZBMAYABEPDS-FZKCQIBNSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)CCN1CCC([NH2+]C/C=C\C2CC2)CC1 ZINC001354257352 937095950 /nfs/dbraw/zinc/09/59/50/937095950.db2.gz POLMSNPGBLDBSB-ARJAWSKDSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)CCOc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC001308361516 928524873 /nfs/dbraw/zinc/52/48/73/928524873.db2.gz XDIOEXIIPFMINF-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO Cc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903086180 928768899 /nfs/dbraw/zinc/76/88/99/928768899.db2.gz LSCWCHAWSMCVPN-JLYLLQBASA-N 1 3 284.447 3.285 20 0 CGADHO Cc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903086180 928768910 /nfs/dbraw/zinc/76/89/10/928768910.db2.gz LSCWCHAWSMCVPN-JLYLLQBASA-N 1 3 284.447 3.285 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cncc3ccccc32)C[C@@H]1C[NH3+] ZINC000397241825 928803070 /nfs/dbraw/zinc/80/30/70/928803070.db2.gz MEXCFZDPDFDTHE-FMKPAKJESA-N 1 3 283.419 3.040 20 0 CGADHO C([C@@H]1CC[N@H+](CC23CCC(CC2)C3)C1)N1CCCCC1 ZINC001459516042 937489917 /nfs/dbraw/zinc/48/99/17/937489917.db2.gz ZTUVBBLNHPWMBA-ADKAHSJRSA-N 1 3 276.468 3.375 20 0 CGADHO C([C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1)N1CCCCC1 ZINC001459516042 937489921 /nfs/dbraw/zinc/48/99/21/937489921.db2.gz ZTUVBBLNHPWMBA-ADKAHSJRSA-N 1 3 276.468 3.375 20 0 CGADHO CC(C)C1(C[NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC001462087432 937616890 /nfs/dbraw/zinc/61/68/90/937616890.db2.gz UEFZTQQHTVCVKU-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011950 933033348 /nfs/dbraw/zinc/03/33/48/933033348.db2.gz UPJGWCHZKJWWLN-PKOBYXMFSA-N 1 3 280.415 3.366 20 0 CGADHO CN1CC[C@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@H]21 ZINC001308011950 933033351 /nfs/dbraw/zinc/03/33/51/933033351.db2.gz UPJGWCHZKJWWLN-PKOBYXMFSA-N 1 3 280.415 3.366 20 0 CGADHO C[C@H](C[NH+]1CCC(C)(N(C)C)CC1)CC(C)(C)C ZINC001308004465 933034088 /nfs/dbraw/zinc/03/40/88/933034088.db2.gz QESRDNIBVHSGCU-AWEZNQCLSA-N 1 3 254.462 3.475 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001319127594 933830072 /nfs/dbraw/zinc/83/00/72/933830072.db2.gz KCURFJCSHVZILH-GJZGRUSLSA-N 1 3 281.403 3.004 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001319127594 933830077 /nfs/dbraw/zinc/83/00/77/933830077.db2.gz KCURFJCSHVZILH-GJZGRUSLSA-N 1 3 281.403 3.004 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC001319282200 933852424 /nfs/dbraw/zinc/85/24/24/933852424.db2.gz HNDZNQOBFLUKNV-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@H]2C1 ZINC001474757063 934176790 /nfs/dbraw/zinc/17/67/90/934176790.db2.gz PCMZIEGVHKXSFZ-SZMVWBNQSA-N 1 3 274.452 3.339 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321343 934384199 /nfs/dbraw/zinc/38/41/99/934384199.db2.gz IECVMKIGRKTCBU-DZGCQCFKSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321343 934384209 /nfs/dbraw/zinc/38/42/09/934384209.db2.gz IECVMKIGRKTCBU-DZGCQCFKSA-N 1 3 294.414 3.139 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485291 934401102 /nfs/dbraw/zinc/40/11/02/934401102.db2.gz GMMMMKWQTWWGID-SUMWQHHRSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2c1cccc2F ZINC001323485291 934401108 /nfs/dbraw/zinc/40/11/08/934401108.db2.gz GMMMMKWQTWWGID-SUMWQHHRSA-N 1 3 276.399 3.087 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC001324035255 934451808 /nfs/dbraw/zinc/45/18/08/934451808.db2.gz FHKLZKONCUKFOV-KBXCAEBGSA-N 1 3 288.435 3.091 20 0 CGADHO Cc1csc(CCCN[C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC001327838896 935088925 /nfs/dbraw/zinc/08/89/25/935088925.db2.gz IRQBAHHOXDIVEY-UKRRQHHQSA-N 1 3 295.496 3.285 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC001330355125 935287588 /nfs/dbraw/zinc/28/75/88/935287588.db2.gz YVLXUSPBHHFPOR-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO C[C@H]1CCCC[C@H]1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001331565836 935394836 /nfs/dbraw/zinc/39/48/36/935394836.db2.gz PBUGXJUBTMDHRS-HOTGVXAUSA-N 1 3 294.483 3.046 20 0 CGADHO CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC001333866289 936072671 /nfs/dbraw/zinc/07/26/71/936072671.db2.gz CIWBCZVRSUOMQV-UHFFFAOYSA-N 1 3 292.398 3.028 20 0 CGADHO CO[C@@H](C[NH2+]C[C@@H](N)CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838339 936293740 /nfs/dbraw/zinc/29/37/40/936293740.db2.gz NWFQXRSNXXVBEX-HOTGVXAUSA-N 1 3 296.430 3.256 20 0 CGADHO CC[NH+]1CCC(CCNCc2cccc(F)c2F)CC1 ZINC001474023758 937836149 /nfs/dbraw/zinc/83/61/49/937836149.db2.gz FUKAXYOKSKNZRH-UHFFFAOYSA-N 1 3 282.378 3.176 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC001474759995 937879753 /nfs/dbraw/zinc/87/97/53/937879753.db2.gz YYSURZBNFAJMTA-HRCADAONSA-N 1 3 284.488 3.290 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129720 938162961 /nfs/dbraw/zinc/16/29/61/938162961.db2.gz VLUMOIDXUWKFQE-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129720 938162962 /nfs/dbraw/zinc/16/29/62/938162962.db2.gz VLUMOIDXUWKFQE-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129720 938162963 /nfs/dbraw/zinc/16/29/63/938162963.db2.gz VLUMOIDXUWKFQE-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@H]3c3ccccc3)CC[C@@H]21 ZINC001550129720 938162964 /nfs/dbraw/zinc/16/29/64/938162964.db2.gz VLUMOIDXUWKFQE-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCCC1 ZINC001551237980 938178337 /nfs/dbraw/zinc/17/83/37/938178337.db2.gz DYPHLBCLPHEZSU-FAEJEUNOSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2C[C@@H]2c2ccccc2F)C1 ZINC001553292080 938197890 /nfs/dbraw/zinc/19/78/90/938197890.db2.gz QYIRUNRFELSAMF-JGGQBBKZSA-N 1 3 276.399 3.049 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001560068297 938243197 /nfs/dbraw/zinc/24/31/97/938243197.db2.gz ANPYPANTNLNZDF-INIZCTEOSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H]1CCN1CCC(C)CC1 ZINC001560068297 938243198 /nfs/dbraw/zinc/24/31/98/938243198.db2.gz ANPYPANTNLNZDF-INIZCTEOSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1ccc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)c1 ZINC001560108953 938244378 /nfs/dbraw/zinc/24/43/78/938244378.db2.gz PSFXFKBYYPTZRG-KRWDZBQOSA-N 1 3 295.430 3.409 20 0 CGADHO CCC1(CC)[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C[C@H]1OC ZINC001560751168 938273921 /nfs/dbraw/zinc/27/39/21/938273921.db2.gz PENVKXUMCDEAPZ-BRWVUGGUSA-N 1 3 296.499 3.434 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCSC1CCCCC1 ZINC001580261775 960487898 /nfs/dbraw/zinc/48/78/98/960487898.db2.gz JOVBKOCVPJCRMY-ZFWWWQNUSA-N 1 3 270.486 3.159 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001574801107 962322756 /nfs/dbraw/zinc/32/27/56/962322756.db2.gz NJIJPOVQFWTDNT-YYIAUSFCSA-N 1 3 262.441 3.031 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@]12CCCNC2 ZINC001574801107 962322776 /nfs/dbraw/zinc/32/27/76/962322776.db2.gz NJIJPOVQFWTDNT-YYIAUSFCSA-N 1 3 262.441 3.031 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001574801107 962322797 /nfs/dbraw/zinc/32/27/97/962322797.db2.gz NJIJPOVQFWTDNT-YYIAUSFCSA-N 1 3 262.441 3.031 20 0 CGADHO CC(C)[C@@H](C[NH3+])CNCc1ccc(C(C)(F)F)cc1 ZINC001575421979 962371191 /nfs/dbraw/zinc/37/11/91/962371191.db2.gz DTLUVXFYZVMFQQ-ZDUSSCGKSA-N 1 3 270.367 3.119 20 0 CGADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCCNC2CC2)C1 ZINC001576435029 962455405 /nfs/dbraw/zinc/45/54/05/962455405.db2.gz OHVJGBJXUNUNNE-GOEBONIOSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC001576435029 962455415 /nfs/dbraw/zinc/45/54/15/962455415.db2.gz OHVJGBJXUNUNNE-GOEBONIOSA-N 1 3 264.457 3.277 20 0 CGADHO CCc1ccc([C@H]2CCCN(CCC[NH2+]C)C2)cc1 ZINC001578254871 962574418 /nfs/dbraw/zinc/57/44/18/962574418.db2.gz JFHPUEOFJJMSGZ-KRWDZBQOSA-N 1 3 260.425 3.038 20 0 CGADHO C[NH2+]CCCN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001578686959 962589990 /nfs/dbraw/zinc/58/99/90/962589990.db2.gz GFCWRZYZTIDTDY-CQSZACIVSA-N 1 3 264.388 3.005 20 0 CGADHO CN(CC(C)(C)C[NH3+])C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001578438573 962591220 /nfs/dbraw/zinc/59/12/20/962591220.db2.gz VJPOGAZHQNZXRE-NVXWUHKLSA-N 1 3 260.425 3.097 20 0 CGADHO CO[C@](C)(C[NH2+]C[C@@H](N)CCC(C)(C)C)c1ccccc1 ZINC001578897874 962603562 /nfs/dbraw/zinc/60/35/62/962603562.db2.gz ZMOQGKGTBSCOQS-FUHWJXTLSA-N 1 3 292.467 3.291 20 0 CGADHO Cc1ccc(CN(Cc2cccc(C[NH3+])c2)CC2CC2)cn1 ZINC001579690801 962658100 /nfs/dbraw/zinc/65/81/00/962658100.db2.gz BNMQRQYRHIIFOF-UHFFFAOYSA-N 1 3 295.430 3.261 20 0 CGADHO FC(F)n1cccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580024549 962685181 /nfs/dbraw/zinc/68/51/81/962685181.db2.gz ZZPNGLPMRPWIRJ-KGLIPLIRSA-N 1 3 297.393 3.095 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC001580287405 962711349 /nfs/dbraw/zinc/71/13/49/962711349.db2.gz UIIFJAGCRBSXSQ-LLVKDONJSA-N 1 3 293.798 3.042 20 0 CGADHO CSCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000590643435 346857895 /nfs/dbraw/zinc/85/78/95/346857895.db2.gz JVISKOCFABLWLV-OAHLLOKOSA-N 1 3 292.492 3.035 20 0 CGADHO CC(C)(C[NH2+][C@H]1CC[C@H]1C1CCC1)CN1CCCC1 ZINC000338014151 214360342 /nfs/dbraw/zinc/36/03/42/214360342.db2.gz GCZBEFNXBACEFJ-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000651910537 398305227 /nfs/dbraw/zinc/30/52/27/398305227.db2.gz XTDJOJIFQSCMGO-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000651910537 398305230 /nfs/dbraw/zinc/30/52/30/398305230.db2.gz XTDJOJIFQSCMGO-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO Cc1ncc(CN2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000590786914 346876122 /nfs/dbraw/zinc/87/61/22/346876122.db2.gz RXQKDOHPWLQBNX-UHFFFAOYSA-N 1 3 281.469 3.004 20 0 CGADHO Cc1ncc(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000590786914 346876124 /nfs/dbraw/zinc/87/61/24/346876124.db2.gz RXQKDOHPWLQBNX-UHFFFAOYSA-N 1 3 281.469 3.004 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484023 529454014 /nfs/dbraw/zinc/45/40/14/529454014.db2.gz YDERNTLWFILGNZ-ZWKOTPCHSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@@H]1C[C@H]1C ZINC000414130849 529606001 /nfs/dbraw/zinc/60/60/01/529606001.db2.gz KBRKULKOFUMKPH-QXSJWSMHSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(Cl)c1 ZINC000423260557 529611305 /nfs/dbraw/zinc/61/13/05/529611305.db2.gz HMSVOBHRJAJOSW-KGLIPLIRSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H]1C[C@H]1C ZINC000414060198 529630865 /nfs/dbraw/zinc/63/08/65/529630865.db2.gz JFEIZQXFXUQSFP-COXVUDFISA-N 1 3 260.425 3.272 20 0 CGADHO Cc1cccc(C[N@H+](C)CCCN2CCCCC2)c1 ZINC000351351070 219092329 /nfs/dbraw/zinc/09/23/29/219092329.db2.gz MDTWRKYEYSLLDB-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO Cc1cccc(C[N@@H+](C)CCCN2CCCCC2)c1 ZINC000351351070 219092331 /nfs/dbraw/zinc/09/23/31/219092331.db2.gz MDTWRKYEYSLLDB-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623607073 349848451 /nfs/dbraw/zinc/84/84/51/349848451.db2.gz VSSCMRAMPIZSRW-OWSLCNJRSA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623607073 349848452 /nfs/dbraw/zinc/84/84/52/349848452.db2.gz VSSCMRAMPIZSRW-OWSLCNJRSA-N 1 3 284.447 3.395 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000623656955 349858669 /nfs/dbraw/zinc/85/86/69/349858669.db2.gz GRTHLXQUFBHMFU-SZMVWBNQSA-N 1 3 272.436 3.112 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(C)s1 ZINC000623656249 349858737 /nfs/dbraw/zinc/85/87/37/349858737.db2.gz PYEQMTUTZWAXEK-AWEZNQCLSA-N 1 3 266.454 3.186 20 0 CGADHO Cc1ccc2cc(C[NH2+]C[C@@H]3CCCCN(C)C3)ccc2n1 ZINC000623657607 349859565 /nfs/dbraw/zinc/85/95/65/349859565.db2.gz VKDYKWCWQLXQIS-KRWDZBQOSA-N 1 3 297.446 3.365 20 0 CGADHO Cc1ccc(C)c(CN(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000351592706 219138157 /nfs/dbraw/zinc/13/81/57/219138157.db2.gz APJOQCPKRPIQTP-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1ccc(C)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000351592706 219138159 /nfs/dbraw/zinc/13/81/59/219138159.db2.gz APJOQCPKRPIQTP-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(OC)c2ccccc21 ZINC000423270771 529986394 /nfs/dbraw/zinc/98/63/94/529986394.db2.gz ILDYXZUCHXZBFW-ZIAGYGMSSA-N 1 3 286.419 3.355 20 0 CGADHO C[NH+]1CCC2(CCCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000369721722 530051092 /nfs/dbraw/zinc/05/10/92/530051092.db2.gz OSQHXQOKOBFCTI-UHFFFAOYSA-N 1 3 294.389 3.273 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000044532951 345013054 /nfs/dbraw/zinc/01/30/54/345013054.db2.gz UXNPEZOWRDWFKQ-SUMWQHHRSA-N 1 3 276.399 3.208 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000044532951 345013057 /nfs/dbraw/zinc/01/30/57/345013057.db2.gz UXNPEZOWRDWFKQ-SUMWQHHRSA-N 1 3 276.399 3.208 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000044534851 345013346 /nfs/dbraw/zinc/01/33/46/345013346.db2.gz ZWEVSYUYKZRIKU-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534851 345013348 /nfs/dbraw/zinc/01/33/48/345013348.db2.gz ZWEVSYUYKZRIKU-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CCc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000063197310 345244080 /nfs/dbraw/zinc/24/40/80/345244080.db2.gz YNDPJLZODSOJKF-MRXNPFEDSA-N 1 3 278.465 3.275 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCOc2ccc(Cl)cc2)C1 ZINC000070174727 345388211 /nfs/dbraw/zinc/38/82/11/345388211.db2.gz GUOLWVWSJSHCIB-UONOGXRCSA-N 1 3 296.842 3.168 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000148048403 232202082 /nfs/dbraw/zinc/20/20/82/232202082.db2.gz OXGLGKLLZIDMSM-GDLCADMTSA-N 1 3 297.240 3.370 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169386 232226677 /nfs/dbraw/zinc/22/66/77/232226677.db2.gz OPGYLELBNDOWBX-YWPYICTPSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000156169386 232226679 /nfs/dbraw/zinc/22/66/79/232226679.db2.gz OPGYLELBNDOWBX-YWPYICTPSA-N 1 3 266.816 3.473 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccnc1 ZINC000091288460 345809847 /nfs/dbraw/zinc/80/98/47/345809847.db2.gz JJKVFGOFYWQOEW-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccnc1 ZINC000091288088 345810248 /nfs/dbraw/zinc/81/02/48/345810248.db2.gz KWDYLIAERFOBFL-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO C[C@H](O)CC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090087018 345781673 /nfs/dbraw/zinc/78/16/73/345781673.db2.gz XQPCDYXSUQIPDV-HNNXBMFYSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H](O)CC(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000090087018 345781675 /nfs/dbraw/zinc/78/16/75/345781675.db2.gz XQPCDYXSUQIPDV-HNNXBMFYSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000165307362 232262886 /nfs/dbraw/zinc/26/28/86/232262886.db2.gz UIAPADSEVIPLFU-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H]([NH3+])c1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000178209082 232384816 /nfs/dbraw/zinc/38/48/16/232384816.db2.gz DDUUAFPPIRJPKJ-ZDUSSCGKSA-N 1 3 297.402 3.020 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000232645631 346326665 /nfs/dbraw/zinc/32/66/65/346326665.db2.gz JCOPIRIGBYFUHA-BHYGNILZSA-N 1 3 264.457 3.299 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453525 346391193 /nfs/dbraw/zinc/39/11/93/346391193.db2.gz MTBALKKTGWXVFA-BVGQSLNGSA-N 1 3 266.388 3.052 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628061 346477415 /nfs/dbraw/zinc/47/74/15/346477415.db2.gz RPNRIBOXIUDIJB-FUHWJXTLSA-N 1 3 272.436 3.358 20 0 CGADHO C[C@@H](CSCCF)NCCC[N@H+](C)C1CCCCC1 ZINC000595005339 347254350 /nfs/dbraw/zinc/25/43/50/347254350.db2.gz XHLQMVQAAPDDIL-AWEZNQCLSA-N 1 3 290.492 3.322 20 0 CGADHO C[C@@H](CSCCF)NCCC[N@@H+](C)C1CCCCC1 ZINC000595005339 347254352 /nfs/dbraw/zinc/25/43/52/347254352.db2.gz XHLQMVQAAPDDIL-AWEZNQCLSA-N 1 3 290.492 3.322 20 0 CGADHO Clc1cccc2c1OCCC[C@H]2NCC1=CC[NH2+]CC1 ZINC000335499161 282534505 /nfs/dbraw/zinc/53/45/05/282534505.db2.gz AUACJJLAXYWESH-OAHLLOKOSA-N 1 3 292.810 3.063 20 0 CGADHO CSCC1(CC[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000596653043 347498624 /nfs/dbraw/zinc/49/86/24/347498624.db2.gz YVJCMUIXWQLTHM-GFCCVEGCSA-N 1 3 293.480 3.033 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000624121399 349978848 /nfs/dbraw/zinc/97/88/48/349978848.db2.gz VJQZGDNJDQWLBU-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120759 349978884 /nfs/dbraw/zinc/97/88/84/349978884.db2.gz GJVTVSSARBGRQG-HZPDHXFCSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121893 349980100 /nfs/dbraw/zinc/98/01/00/349980100.db2.gz FTPWGMIEDPOFPU-ZBFHGGJFSA-N 1 3 280.481 3.391 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120692 349978340 /nfs/dbraw/zinc/97/83/40/349978340.db2.gz FGRVLAKESUTITB-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120692 349978343 /nfs/dbraw/zinc/97/83/43/349978343.db2.gz FGRVLAKESUTITB-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120692 349978345 /nfs/dbraw/zinc/97/83/45/349978345.db2.gz FGRVLAKESUTITB-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121228 349978537 /nfs/dbraw/zinc/97/85/37/349978537.db2.gz QNEGJVCMDXZCPZ-CABCVRRESA-N 1 3 280.481 3.391 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCC1 ZINC000624123024 349981342 /nfs/dbraw/zinc/98/13/42/349981342.db2.gz DKABVFPDIXUALX-GDBMZVCRSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122133 349980660 /nfs/dbraw/zinc/98/06/60/349980660.db2.gz KMHHNGCTFATZLI-OWCLPIDISA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000624123678 349983346 /nfs/dbraw/zinc/98/33/46/349983346.db2.gz QGVYCONKEWBGDA-OWCLPIDISA-N 1 3 270.436 3.226 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358358427 233115792 /nfs/dbraw/zinc/11/57/92/233115792.db2.gz SIPHSTVJUCBUMS-RYRKJORJSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@]3(C)CCOC3)CC2)C1 ZINC000358712558 233181695 /nfs/dbraw/zinc/18/16/95/233181695.db2.gz INKOJAVCXDUBPS-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@]3(C)CCOC3)CC2)C1 ZINC000358712558 233181698 /nfs/dbraw/zinc/18/16/98/233181698.db2.gz INKOJAVCXDUBPS-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO c1cc(CCNC2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000358772355 233192998 /nfs/dbraw/zinc/19/29/98/233192998.db2.gz KYUONLICIHNEKC-UHFFFAOYSA-N 1 3 287.451 3.011 20 0 CGADHO c1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)ccn1 ZINC000358772355 233193004 /nfs/dbraw/zinc/19/30/04/233193004.db2.gz KYUONLICIHNEKC-UHFFFAOYSA-N 1 3 287.451 3.011 20 0 CGADHO CCC[C@H](C)CCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000625264996 350150137 /nfs/dbraw/zinc/15/01/37/350150137.db2.gz PBVCTEXHHFWJLG-BSDSXHPESA-N 1 3 296.499 3.386 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280707 191045879 /nfs/dbraw/zinc/04/58/79/191045879.db2.gz MAJNCBKOLJKADK-WBVHZDCISA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280707 191045882 /nfs/dbraw/zinc/04/58/82/191045882.db2.gz MAJNCBKOLJKADK-WBVHZDCISA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280707 191045884 /nfs/dbraw/zinc/04/58/84/191045884.db2.gz MAJNCBKOLJKADK-WBVHZDCISA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000271280707 191045887 /nfs/dbraw/zinc/04/58/87/191045887.db2.gz MAJNCBKOLJKADK-WBVHZDCISA-N 1 3 283.419 3.084 20 0 CGADHO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCCCC1 ZINC000625680424 350195368 /nfs/dbraw/zinc/19/53/68/350195368.db2.gz FKAMKJOFRDAYPY-OKILXGFUSA-N 1 3 272.383 3.125 20 0 CGADHO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1CCCCC1 ZINC000625680424 350195371 /nfs/dbraw/zinc/19/53/71/350195371.db2.gz FKAMKJOFRDAYPY-OKILXGFUSA-N 1 3 272.383 3.125 20 0 CGADHO C[C@@]1(CN2CCC[C@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181438 350426126 /nfs/dbraw/zinc/42/61/26/350426126.db2.gz CKICFSGXQZWQQQ-HOTGVXAUSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@@]1(C[N@@H+]2CCC[C@H](N3CCCC3)CC2)CCCS1 ZINC000628181438 350426127 /nfs/dbraw/zinc/42/61/27/350426127.db2.gz CKICFSGXQZWQQQ-HOTGVXAUSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@@]1(C[N@H+]2CCC[C@H](N3CCCC3)CC2)CCCS1 ZINC000628181438 350426128 /nfs/dbraw/zinc/42/61/28/350426128.db2.gz CKICFSGXQZWQQQ-HOTGVXAUSA-N 1 3 282.497 3.222 20 0 CGADHO Cc1nc(C)c(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000628202827 350439294 /nfs/dbraw/zinc/43/92/94/350439294.db2.gz JIQAPPAPAXGOIM-CYBMUJFWSA-N 1 3 279.428 3.036 20 0 CGADHO Cc1nc(C)c(CNCCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000628202827 350439297 /nfs/dbraw/zinc/43/92/97/350439297.db2.gz JIQAPPAPAXGOIM-CYBMUJFWSA-N 1 3 279.428 3.036 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628204609 350439431 /nfs/dbraw/zinc/43/94/31/350439431.db2.gz FRWJAKDSQNWIPR-JKSUJKDBSA-N 1 3 260.425 3.030 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000629540480 350706940 /nfs/dbraw/zinc/70/69/40/350706940.db2.gz UYRAUTAXHOVFPX-KDOFPFPSSA-N 1 3 289.467 3.463 20 0 CGADHO Cc1ccc2ncc(CN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2c1 ZINC000629540484 350707546 /nfs/dbraw/zinc/70/75/46/350707546.db2.gz PNGZIJSUAQVZJI-RKVPGOIHSA-N 1 3 297.446 3.348 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCC23CC3)c2ccccc21 ZINC000629554536 350712310 /nfs/dbraw/zinc/71/23/10/350712310.db2.gz KNJLKFQTWVPZCI-APHBMKBZSA-N 1 3 256.393 3.301 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629555829 350713215 /nfs/dbraw/zinc/71/32/15/350713215.db2.gz FXWMVTYIYHJCFD-ZIBATOQPSA-N 1 3 266.816 3.433 20 0 CGADHO CC[C@H](NCC1([NH3+])CCOCC1)c1cccc2ccccc21 ZINC000629523421 350701291 /nfs/dbraw/zinc/70/12/91/350701291.db2.gz GJFLXIQSGQGASH-SFHVURJKSA-N 1 3 298.430 3.388 20 0 CGADHO C[NH2+]CCc1ccc(-c2cc(CN(C)C)ccc2F)cc1 ZINC000629736507 350758707 /nfs/dbraw/zinc/75/87/07/350758707.db2.gz IRFCFXYLZUEBOJ-UHFFFAOYSA-N 1 3 286.394 3.316 20 0 CGADHO c1cnc2cccc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2c1 ZINC000634688263 351573947 /nfs/dbraw/zinc/57/39/47/351573947.db2.gz NILNWXBSGCZZMO-AEFFLSMTSA-N 1 3 295.430 3.199 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000635012645 351630775 /nfs/dbraw/zinc/63/07/75/351630775.db2.gz UXGLLNRUMQZGEC-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO COc1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000635013479 351631899 /nfs/dbraw/zinc/63/18/99/351631899.db2.gz YLECYCCCZMTUFV-PBHICJAKSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)CN(C)C ZINC000291752564 198079663 /nfs/dbraw/zinc/07/96/63/198079663.db2.gz QJLNOAJZQZFLFW-LBPRGKRZSA-N 1 3 291.826 3.176 20 0 CGADHO C[C@H]([NH2+]C1CC(C)C1)c1cccc(OCCN(C)C)c1 ZINC000271569279 191218500 /nfs/dbraw/zinc/21/85/00/191218500.db2.gz YWOVWQDYTNLXRJ-BBBYJDLNSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795202 188162230 /nfs/dbraw/zinc/16/22/30/188162230.db2.gz SNYBEDBBHVYKRB-HLLBOEOZSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795202 188162232 /nfs/dbraw/zinc/16/22/32/188162232.db2.gz SNYBEDBBHVYKRB-HLLBOEOZSA-N 1 3 298.434 3.006 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271884012 191387560 /nfs/dbraw/zinc/38/75/60/191387560.db2.gz QHGGNYLJBOFJCP-OAHLLOKOSA-N 1 3 288.435 3.386 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)oc1C ZINC000414192582 235359880 /nfs/dbraw/zinc/35/98/80/235359880.db2.gz SLWCDXLQRCTXHA-HIFRSBDPSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192582 235359882 /nfs/dbraw/zinc/35/98/82/235359882.db2.gz SLWCDXLQRCTXHA-HIFRSBDPSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(F)c1 ZINC000093514878 138347681 /nfs/dbraw/zinc/34/76/81/138347681.db2.gz AKZWSJYFIQUZCN-WMLDXEAASA-N 1 3 278.415 3.269 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000111611470 138364473 /nfs/dbraw/zinc/36/44/73/138364473.db2.gz LFZTXDXXDUNPMI-NSHDSACASA-N 1 3 286.341 3.265 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423163296 235984989 /nfs/dbraw/zinc/98/49/89/235984989.db2.gz MNMWXFOAAUSEES-UKRRQHHQSA-N 1 3 250.430 3.064 20 0 CGADHO C[C@H](Cc1coc2ccccc12)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423332868 236042029 /nfs/dbraw/zinc/04/20/29/236042029.db2.gz HIVNZBLFDQVDAF-KDOFPFPSSA-N 1 3 286.419 3.343 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423332868 236042031 /nfs/dbraw/zinc/04/20/31/236042031.db2.gz HIVNZBLFDQVDAF-KDOFPFPSSA-N 1 3 286.419 3.343 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccc(C2CC2)c1 ZINC000423387136 236059636 /nfs/dbraw/zinc/05/96/36/236059636.db2.gz HPFSEEDHWQGUDQ-IIYDPXPESA-N 1 3 258.409 3.213 20 0 CGADHO Cc1cc([C@H]([NH2+][C@H]2CCNC[C@H]2C)C2CC2)ccc1F ZINC000423390204 236060855 /nfs/dbraw/zinc/06/08/55/236060855.db2.gz JVZKGHMPVGUXIZ-OAUYIBNBSA-N 1 3 276.399 3.173 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 ZINC000423359221 236048810 /nfs/dbraw/zinc/04/88/10/236048810.db2.gz CYLKXHACBWLJQZ-KURKYZTESA-N 1 3 272.436 3.176 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423380866 236057327 /nfs/dbraw/zinc/05/73/27/236057327.db2.gz YZFCGVRPNSYLAY-VHDGCEQUSA-N 1 3 272.392 3.223 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423380866 236057328 /nfs/dbraw/zinc/05/73/28/236057328.db2.gz YZFCGVRPNSYLAY-VHDGCEQUSA-N 1 3 272.392 3.223 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423493516 236086057 /nfs/dbraw/zinc/08/60/57/236086057.db2.gz BQZJDZIDIGPSAW-RPVQJOFSSA-N 1 3 299.393 3.027 20 0 CGADHO FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423398254 236062790 /nfs/dbraw/zinc/06/27/90/236062790.db2.gz UGRUBIFXUJLXAW-PBHICJAKSA-N 1 3 276.399 3.298 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423407082 236066592 /nfs/dbraw/zinc/06/65/92/236066592.db2.gz VHTSIMXNMXZBIN-KSSYENDESA-N 1 3 298.883 3.481 20 0 CGADHO Cc1ccc([C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCC2)o1 ZINC000423436918 236070936 /nfs/dbraw/zinc/07/09/36/236070936.db2.gz MAYDQGINLYXUHT-JZXOWHBKSA-N 1 3 288.435 3.407 20 0 CGADHO CCOc1ccc([C@H](CC)[NH2+][C@H](C)[C@H](C)N)cc1OCC ZINC000423453747 236073783 /nfs/dbraw/zinc/07/37/83/236073783.db2.gz YAPAVTLYKWEKDC-GUTXKFCHSA-N 1 3 294.439 3.260 20 0 CGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cncs1 ZINC000423505688 236088942 /nfs/dbraw/zinc/08/89/42/236088942.db2.gz OSRAYGJQSBBBKM-JSGCOSHPSA-N 1 3 275.421 3.274 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129872301 535420524 /nfs/dbraw/zinc/42/05/24/535420524.db2.gz PZYASIAKGUGMOX-YCPHGPKFSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129872301 535420528 /nfs/dbraw/zinc/42/05/28/535420528.db2.gz PZYASIAKGUGMOX-YCPHGPKFSA-N 1 3 276.424 3.219 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422804467 283468328 /nfs/dbraw/zinc/46/83/28/283468328.db2.gz KUTBAGRICGQPFR-XYJFISCASA-N 1 3 272.436 3.214 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000089146243 283504975 /nfs/dbraw/zinc/50/49/75/283504975.db2.gz VBWFOTALJVJSHD-TZMCWYRMSA-N 1 3 286.341 3.313 20 0 CGADHO C[NH+]1CCC(NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000177279113 189041493 /nfs/dbraw/zinc/04/14/93/189041493.db2.gz UACXUSATBNKQMW-UHFFFAOYSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H]([NH2+]CC1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000177773629 189068576 /nfs/dbraw/zinc/06/85/76/189068576.db2.gz JGFQKEZMLLTBIW-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1CCCC[C@H]1C ZINC000423324204 299311915 /nfs/dbraw/zinc/31/19/15/299311915.db2.gz AVHOPQQAEGBOIU-UGUYLWEFSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](Cc1ccoc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083061 239166331 /nfs/dbraw/zinc/16/63/31/239166331.db2.gz RUUQPVSRVLVVBK-OWCLPIDISA-N 1 3 278.440 3.168 20 0 CGADHO C[C@H](Cc1ccoc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083061 239166338 /nfs/dbraw/zinc/16/63/38/239166338.db2.gz RUUQPVSRVLVVBK-OWCLPIDISA-N 1 3 278.440 3.168 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000449083061 239166343 /nfs/dbraw/zinc/16/63/43/239166343.db2.gz RUUQPVSRVLVVBK-OWCLPIDISA-N 1 3 278.440 3.168 20 0 CGADHO Cc1ccc2nccc(NC[C@@H](C3CC3)[NH+](C)C)c2c1 ZINC000302138191 201360501 /nfs/dbraw/zinc/36/05/01/201360501.db2.gz CGBJBRYHTYMVNS-KRWDZBQOSA-N 1 3 269.392 3.295 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc2ccccc2n1 ZINC000423277239 299369135 /nfs/dbraw/zinc/36/91/35/299369135.db2.gz OBIBBDOMPIWTEQ-DHSIGJKJSA-N 1 3 283.419 3.403 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[NH+](CC2CC2)CC1 ZINC000462503954 242350224 /nfs/dbraw/zinc/35/02/24/242350224.db2.gz RRAPAYCIAHUARF-UHFFFAOYSA-N 1 3 295.430 3.384 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)Cc1cccc(Cl)c1)C1CNC1 ZINC000422869856 296116597 /nfs/dbraw/zinc/11/65/97/296116597.db2.gz AUXWJHAXFCBURS-GFCCVEGCSA-N 1 3 280.843 3.106 20 0 CGADHO C[C@@H](NCC(C)(C)Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422869856 296116599 /nfs/dbraw/zinc/11/65/99/296116599.db2.gz AUXWJHAXFCBURS-GFCCVEGCSA-N 1 3 280.843 3.106 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477949779 243062924 /nfs/dbraw/zinc/06/29/24/243062924.db2.gz XNEGHPMSXGMXAT-HNNXBMFYSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477949779 243062929 /nfs/dbraw/zinc/06/29/29/243062929.db2.gz XNEGHPMSXGMXAT-HNNXBMFYSA-N 1 3 292.442 3.468 20 0 CGADHO CCCc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000479452013 243105155 /nfs/dbraw/zinc/10/51/55/243105155.db2.gz HXLQEDILXIHIDP-WMLDXEAASA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000479452013 243105158 /nfs/dbraw/zinc/10/51/58/243105158.db2.gz HXLQEDILXIHIDP-WMLDXEAASA-N 1 3 260.425 3.211 20 0 CGADHO C[C@@H](NCC1(c2ccc(Cl)cc2)CCCC1)C1C[NH2+]C1 ZINC000422876150 296120073 /nfs/dbraw/zinc/12/00/73/296120073.db2.gz FDBRTDLTRWLHNQ-CYBMUJFWSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCCC1)C1CNC1 ZINC000422876150 296120074 /nfs/dbraw/zinc/12/00/74/296120074.db2.gz FDBRTDLTRWLHNQ-CYBMUJFWSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1CC1(C)C ZINC000486985961 243392194 /nfs/dbraw/zinc/39/21/94/243392194.db2.gz XCVCXHOAKBCTAV-HOCLYGCPSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(F)c1 ZINC000019905899 368778672 /nfs/dbraw/zinc/77/86/72/368778672.db2.gz ZVBVMHZEQODWPW-GFCCVEGCSA-N 1 3 252.377 3.064 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cccs2)CC1 ZINC000037150053 369069463 /nfs/dbraw/zinc/06/94/63/369069463.db2.gz FFDNYBKRZJWOGW-UHFFFAOYSA-N 1 3 252.427 3.102 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000037644104 369093638 /nfs/dbraw/zinc/09/36/38/369093638.db2.gz XVLZMUZKQNEORO-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644104 369093639 /nfs/dbraw/zinc/09/36/39/369093639.db2.gz XVLZMUZKQNEORO-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(F)cc1 ZINC000037644104 369093642 /nfs/dbraw/zinc/09/36/42/369093642.db2.gz XVLZMUZKQNEORO-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H]([NH2+]CCCN)C(c1ccccc1)c1ccccc1 ZINC000037713294 369100937 /nfs/dbraw/zinc/10/09/37/369100937.db2.gz MFDOKLGJDFVFLF-OAHLLOKOSA-N 1 3 268.404 3.145 20 0 CGADHO CCOc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000037786376 369113057 /nfs/dbraw/zinc/11/30/57/369113057.db2.gz GDFSNGRDOUBTSY-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC000049553685 369409705 /nfs/dbraw/zinc/40/97/05/369409705.db2.gz QLMBURASZHNYMY-UONOGXRCSA-N 1 3 260.425 3.166 20 0 CGADHO C[C@H](C[NH2+]C[C@H](C)c1ccccc1)CN1CCCC1 ZINC000057994274 369551514 /nfs/dbraw/zinc/55/15/14/369551514.db2.gz BNVGPPHYBXXDKU-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@H](c1ccccc1Cl)N(C)CC1CC[NH2+]CC1 ZINC000062014470 369613998 /nfs/dbraw/zinc/61/39/98/369613998.db2.gz XANMSVMFMACQEE-GFCCVEGCSA-N 1 3 266.816 3.332 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000062077923 369618165 /nfs/dbraw/zinc/61/81/65/369618165.db2.gz JPKMDIUTBJNLGB-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000062077923 369618169 /nfs/dbraw/zinc/61/81/69/369618169.db2.gz JPKMDIUTBJNLGB-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CCC1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000090219587 370059310 /nfs/dbraw/zinc/05/93/10/370059310.db2.gz IPKXBUIMZJBYDO-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCCC(F)(F)F)c2ccccc21 ZINC000132211717 371159333 /nfs/dbraw/zinc/15/93/33/371159333.db2.gz OVFPDNKQESNJMF-RYUDHWBXSA-N 1 3 258.287 3.063 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]CCCN1CCC(C)CC1 ZINC000134115568 371304461 /nfs/dbraw/zinc/30/44/61/371304461.db2.gz PEBSEQWEHIFYSC-INIZCTEOSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H](Cc1ccccc1F)NCCC[NH+]1CCC(C)CC1 ZINC000134115568 371304465 /nfs/dbraw/zinc/30/44/65/371304465.db2.gz PEBSEQWEHIFYSC-INIZCTEOSA-N 1 3 292.442 3.468 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCCCC2)C1 ZINC000421823296 371645716 /nfs/dbraw/zinc/64/57/16/371645716.db2.gz CRFMMWLPWDGVMU-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707764 371761676 /nfs/dbraw/zinc/76/16/76/371761676.db2.gz ATCZGKCNVLKZJS-STQMWFEESA-N 1 3 273.207 3.005 20 0 CGADHO C[C@H](NC1CCC(C[NH3+])CC1)c1c(F)cccc1F ZINC000422712409 371764124 /nfs/dbraw/zinc/76/41/24/371764124.db2.gz NZHBGYXXUCQFNG-UNXYVOJBSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422732763 371772161 /nfs/dbraw/zinc/77/21/61/371772161.db2.gz ALGGBLUPKZAQOA-NKGKWGDASA-N 1 3 290.426 3.440 20 0 CGADHO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000422765057 371792981 /nfs/dbraw/zinc/79/29/81/371792981.db2.gz QAXDOPINBDUTNW-STQMWFEESA-N 1 3 254.377 3.098 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CNC1)c1cccc2ccccc21 ZINC000422765057 371792987 /nfs/dbraw/zinc/79/29/87/371792987.db2.gz QAXDOPINBDUTNW-STQMWFEESA-N 1 3 254.377 3.098 20 0 CGADHO CC(C)(C)c1csc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)n1 ZINC000422745048 371779262 /nfs/dbraw/zinc/77/92/62/371779262.db2.gz ULTJRJYFCOBEPR-CHWSQXEVSA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1csc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422745048 371779272 /nfs/dbraw/zinc/77/92/72/371779272.db2.gz ULTJRJYFCOBEPR-CHWSQXEVSA-N 1 3 295.496 3.090 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422758565 371788947 /nfs/dbraw/zinc/78/89/47/371788947.db2.gz NXOYUBIJVYRADU-GOEBONIOSA-N 1 3 278.465 3.147 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)COC(C)C ZINC000337344236 214018322 /nfs/dbraw/zinc/01/83/22/214018322.db2.gz TURFUBAMCIRNFZ-INIZCTEOSA-N 1 3 292.467 3.432 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1ccc(Cl)cc1Cl ZINC000422829459 371830318 /nfs/dbraw/zinc/83/03/18/371830318.db2.gz UOGWUXFYPINQRJ-ZIAGYGMSSA-N 1 3 287.234 3.395 20 0 CGADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccccc1 ZINC000422782259 371802829 /nfs/dbraw/zinc/80/28/29/371802829.db2.gz GEJNDZWUAVBOBM-RDGKXADDSA-N 1 3 276.449 3.040 20 0 CGADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccccc1 ZINC000422782258 371803660 /nfs/dbraw/zinc/80/36/60/371803660.db2.gz GEJNDZWUAVBOBM-JKXDFHQYSA-N 1 3 276.449 3.040 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000422794075 371813306 /nfs/dbraw/zinc/81/33/06/371813306.db2.gz GFUXWEWQHRCWLV-NVXWUHKLSA-N 1 3 274.452 3.461 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000422805177 371820249 /nfs/dbraw/zinc/82/02/49/371820249.db2.gz GODBJDFDAZZTKC-MJGOQNOKSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422805177 371820257 /nfs/dbraw/zinc/82/02/57/371820257.db2.gz GODBJDFDAZZTKC-MJGOQNOKSA-N 1 3 298.430 3.326 20 0 CGADHO CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422809104 371823044 /nfs/dbraw/zinc/82/30/44/371823044.db2.gz PECRSTRHFOXRDC-RYUDHWBXSA-N 1 3 281.469 3.031 20 0 CGADHO CC[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422816293 371827872 /nfs/dbraw/zinc/82/78/72/371827872.db2.gz DYLZXVLKTSLGBR-XUXIUFHCSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422816293 371827874 /nfs/dbraw/zinc/82/78/74/371827874.db2.gz DYLZXVLKTSLGBR-XUXIUFHCSA-N 1 3 292.389 3.475 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865452 371844791 /nfs/dbraw/zinc/84/47/91/371844791.db2.gz YECBREGGFFJWLO-QZTJIDSGSA-N 1 3 282.387 3.448 20 0 CGADHO CSc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422877524 371850099 /nfs/dbraw/zinc/85/00/99/371850099.db2.gz HZAASFBOOACFJE-GJZGRUSLSA-N 1 3 264.438 3.158 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877999 371850287 /nfs/dbraw/zinc/85/02/87/371850287.db2.gz INCRUODSUGBKGU-RTBURBONSA-N 1 3 296.414 3.235 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000422900342 371861502 /nfs/dbraw/zinc/86/15/02/371861502.db2.gz QDKNXTZNRUEEPX-OKZBNKHCSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(Sc2ccccc2)CC1 ZINC000422910852 371862789 /nfs/dbraw/zinc/86/27/89/371862789.db2.gz RPUZRSJYXRJUMY-STQMWFEESA-N 1 3 264.438 3.027 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OC2CCCC2)cc1 ZINC000422948722 371886113 /nfs/dbraw/zinc/88/61/13/371886113.db2.gz SRHFBAHQPLGBCY-KGLIPLIRSA-N 1 3 276.424 3.223 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCNC2)C12CCCCC2 ZINC000422917421 371868345 /nfs/dbraw/zinc/86/83/45/371868345.db2.gz DTQOJVRQXFIDNO-LUKYLMHMSA-N 1 3 294.483 3.092 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@@H]1OC ZINC000344079087 217038766 /nfs/dbraw/zinc/03/87/66/217038766.db2.gz SEGMAHGZAQUARF-FPCVCCKLSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422932565 371878484 /nfs/dbraw/zinc/87/84/84/371878484.db2.gz ZNKZPOCRZWURSS-WMZOPIPTSA-N 1 3 286.463 3.377 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940629 371881357 /nfs/dbraw/zinc/88/13/57/371881357.db2.gz HHJROGKIGWKNQI-CABCVRRESA-N 1 3 298.377 3.080 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422939008 371881827 /nfs/dbraw/zinc/88/18/27/371881827.db2.gz QNBNBMFUOAPZGE-IEBWSBKVSA-N 1 3 282.431 3.489 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422845128 371838282 /nfs/dbraw/zinc/83/82/82/371838282.db2.gz NNNZZPKSQPWOND-IRXDYDNUSA-N 1 3 290.426 3.497 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CCNCC1 ZINC000422854967 371841598 /nfs/dbraw/zinc/84/15/98/371841598.db2.gz BNTYZVPJSURHLF-JTQLQIEISA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC1CC[NH2+]CC1 ZINC000422854967 371841604 /nfs/dbraw/zinc/84/16/04/371841604.db2.gz BNTYZVPJSURHLF-JTQLQIEISA-N 1 3 287.234 3.266 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423053023 371936003 /nfs/dbraw/zinc/93/60/03/371936003.db2.gz RUGKMPWIUJPTBA-CZUORRHYSA-N 1 3 272.392 3.001 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423050910 371936407 /nfs/dbraw/zinc/93/64/07/371936407.db2.gz MHGKKZLEOMBLAI-DYVFJYSZSA-N 1 3 296.405 3.265 20 0 CGADHO [NH3+]CC1CCC(NCc2ccc(Cl)cc2F)CC1 ZINC000423059634 371939675 /nfs/dbraw/zinc/93/96/75/371939675.db2.gz GFMRDLXANDCXEC-UHFFFAOYSA-N 1 3 270.779 3.086 20 0 CGADHO Clc1cccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422950372 371888136 /nfs/dbraw/zinc/88/81/36/371888136.db2.gz XUIHRSSQYLOJJG-XYPWUTKMSA-N 1 3 278.827 3.145 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCCSCC(C)C)C1 ZINC000155045105 371900655 /nfs/dbraw/zinc/90/06/55/371900655.db2.gz ZILMJNVJPRBMHK-HNNXBMFYSA-N 1 3 272.502 3.039 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCSCC(C)C)C1 ZINC000155045105 371900657 /nfs/dbraw/zinc/90/06/57/371900657.db2.gz ZILMJNVJPRBMHK-HNNXBMFYSA-N 1 3 272.502 3.039 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000155045105 371900661 /nfs/dbraw/zinc/90/06/61/371900661.db2.gz ZILMJNVJPRBMHK-HNNXBMFYSA-N 1 3 272.502 3.039 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000155045105 371900665 /nfs/dbraw/zinc/90/06/65/371900665.db2.gz ZILMJNVJPRBMHK-HNNXBMFYSA-N 1 3 272.502 3.039 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981530 371901877 /nfs/dbraw/zinc/90/18/77/371901877.db2.gz ORFKTTFJCZFFNA-GJZGRUSLSA-N 1 3 258.365 3.182 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000422984642 371901948 /nfs/dbraw/zinc/90/19/48/371901948.db2.gz BEHDUJRDGGSZAD-RRQGHBQHSA-N 1 3 276.399 3.310 20 0 CGADHO C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])Oc1ccccc1 ZINC000422982526 371901961 /nfs/dbraw/zinc/90/19/61/371901961.db2.gz QZQCNEHCKDDVQG-GJYPPUQNSA-N 1 3 298.430 3.002 20 0 CGADHO CCOC1CC([NH2+][C@H]2CCCC[C@@H]2CN(CC)CC)C1 ZINC000344113623 217055781 /nfs/dbraw/zinc/05/57/81/217055781.db2.gz WABGYKKEXLGEEI-VXLLPVPCSA-N 1 3 282.472 3.044 20 0 CGADHO CCOC1CC(N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)C1 ZINC000344113623 217055783 /nfs/dbraw/zinc/05/57/83/217055783.db2.gz WABGYKKEXLGEEI-VXLLPVPCSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423000617 371910839 /nfs/dbraw/zinc/91/08/39/371910839.db2.gz GUHKPIBTIWQGCH-HIFRSBDPSA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)CC[C@H](C[NH2+]C2CCNCC2)c2ccccc21 ZINC000423016824 371916106 /nfs/dbraw/zinc/91/61/06/371916106.db2.gz NIZGCZBSOHCVEU-CQSZACIVSA-N 1 3 272.436 3.183 20 0 CGADHO CC1(C)CC[C@H](CNC2CC[NH2+]CC2)c2ccccc21 ZINC000423016824 371916111 /nfs/dbraw/zinc/91/61/11/371916111.db2.gz NIZGCZBSOHCVEU-CQSZACIVSA-N 1 3 272.436 3.183 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCSCC(F)(F)F ZINC000423019547 371917879 /nfs/dbraw/zinc/91/78/79/371917879.db2.gz WDWOESANCJWPIQ-NWDGAFQWSA-N 1 3 298.418 3.182 20 0 CGADHO Cc1cc([C@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423018750 371918440 /nfs/dbraw/zinc/91/84/40/371918440.db2.gz ZOLSCRFZEFAOSR-YLQAJVPDSA-N 1 3 276.399 3.173 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000423046180 371932269 /nfs/dbraw/zinc/93/22/69/371932269.db2.gz FAPOKACJMKAHRL-XJIUQZFPSA-N 1 3 260.425 3.416 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096789 371960045 /nfs/dbraw/zinc/96/00/45/371960045.db2.gz PVNSSIMSDSHVHI-BQGCOEIASA-N 1 3 276.399 3.321 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191463 371966351 /nfs/dbraw/zinc/96/63/51/371966351.db2.gz YLODYVFVUFLISR-WQVCFCJDSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000156191463 371966357 /nfs/dbraw/zinc/96/63/57/371966357.db2.gz YLODYVFVUFLISR-WQVCFCJDSA-N 1 3 264.388 3.349 20 0 CGADHO C[C@@H](NC1CC(c2ccc(F)c(Cl)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423107483 371970731 /nfs/dbraw/zinc/97/07/31/371970731.db2.gz SCQIWDLFYOEMKD-JOTXSSJUSA-N 1 3 296.817 3.313 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423108221 371971166 /nfs/dbraw/zinc/97/11/66/371971166.db2.gz FTQILPJFHRLRLI-RYKRPPSOSA-N 1 3 272.436 3.158 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423111283 371972568 /nfs/dbraw/zinc/97/25/68/371972568.db2.gz IQSXHNATBOXADN-CCRGXQTGSA-N 1 3 272.436 3.287 20 0 CGADHO Cc1cc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])ccc2[nH]1 ZINC000423110154 371973257 /nfs/dbraw/zinc/97/32/57/371973257.db2.gz ORGRGPIBFXDGOU-HOCLYGCPSA-N 1 3 271.408 3.083 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CC1 ZINC000423115658 371974671 /nfs/dbraw/zinc/97/46/71/371974671.db2.gz YFXGMGIKFAWDOI-RYUDHWBXSA-N 1 3 278.362 3.229 20 0 CGADHO Cc1ccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000423122301 371976646 /nfs/dbraw/zinc/97/66/46/371976646.db2.gz CBYTXWJFVFUPKS-SJPCQFCGSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC(C(F)(F)F)C1 ZINC000423120816 371977110 /nfs/dbraw/zinc/97/71/10/371977110.db2.gz HSMKCMZUDWSLKF-CQLXCSJHSA-N 1 3 278.362 3.228 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2CN)c(C)c1 ZINC000423133995 371984030 /nfs/dbraw/zinc/98/40/30/371984030.db2.gz RCRWVCYFEKVFFJ-DOTOQJQBSA-N 1 3 274.452 3.298 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423133439 371984437 /nfs/dbraw/zinc/98/44/37/371984437.db2.gz KMGRHAYBUSWEOE-XCDZQEORSA-N 1 3 284.447 3.300 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccc(Cl)c(Cl)c1 ZINC000423156286 371994808 /nfs/dbraw/zinc/99/48/08/371994808.db2.gz KYVCWIIAHMBVGX-UWVGGRQHSA-N 1 3 291.222 3.088 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423167043 372000614 /nfs/dbraw/zinc/00/06/14/372000614.db2.gz RVCSEYHKHTXKFW-NRSFXHEJSA-N 1 3 274.452 3.359 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000423081107 371952325 /nfs/dbraw/zinc/95/23/25/371952325.db2.gz BEHDUJRDGGSZAD-XYPHTWIQSA-N 1 3 276.399 3.310 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)C1CNC1 ZINC000423194128 372019088 /nfs/dbraw/zinc/01/90/88/372019088.db2.gz WNGTXPFSCCABTB-KPEUIFRASA-N 1 3 272.436 3.156 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+]CC1(N)CCCCCC1 ZINC000423200732 372024946 /nfs/dbraw/zinc/02/49/46/372024946.db2.gz MZDHJFCZHDMRKU-INIZCTEOSA-N 1 3 288.435 3.324 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@H]1CCC[NH2+]C1 ZINC000423202023 372026702 /nfs/dbraw/zinc/02/67/02/372026702.db2.gz ADIFXGORRAHROI-YCPHGPKFSA-N 1 3 258.409 3.133 20 0 CGADHO Cc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203305 372027078 /nfs/dbraw/zinc/02/70/78/372027078.db2.gz CEWHSMTWXKBVCV-RHSMWYFYSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCNC2)C2CC2)cc1 ZINC000423203305 372027082 /nfs/dbraw/zinc/02/70/82/372027082.db2.gz CEWHSMTWXKBVCV-RHSMWYFYSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203295 372027233 /nfs/dbraw/zinc/02/72/33/372027233.db2.gz CEWHSMTWXKBVCV-PBHICJAKSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@@H]2CCCNC2)C2CC2)cc1 ZINC000423203295 372027237 /nfs/dbraw/zinc/02/72/37/372027237.db2.gz CEWHSMTWXKBVCV-PBHICJAKSA-N 1 3 258.409 3.035 20 0 CGADHO CC(C)CC[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423204468 372029209 /nfs/dbraw/zinc/02/92/09/372029209.db2.gz AWJXMIKYJXEDCV-HCMIALLCSA-N 1 3 264.457 3.464 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000344158605 217079152 /nfs/dbraw/zinc/07/91/52/217079152.db2.gz CDZLSCPXORRMEM-IAGOWNOFSA-N 1 3 296.499 3.433 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(F)c(F)c1 ZINC000423398909 372060772 /nfs/dbraw/zinc/06/07/72/372060772.db2.gz PECMMWJCLIALOC-RLCCDNCMSA-N 1 3 282.378 3.250 20 0 CGADHO CC(C)C[C@H](NC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000423219405 372038595 /nfs/dbraw/zinc/03/85/95/372038595.db2.gz WMJHMROCRKVTPN-KBPBESRZSA-N 1 3 266.454 3.425 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H]1CCCNC1)c1cccs1 ZINC000423219405 372038597 /nfs/dbraw/zinc/03/85/97/372038597.db2.gz WMJHMROCRKVTPN-KBPBESRZSA-N 1 3 266.454 3.425 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](c1cccs1)C1CCCC1 ZINC000423267844 372046824 /nfs/dbraw/zinc/04/68/24/372046824.db2.gz FKIWRBWQOGXECM-WFASDCNBSA-N 1 3 266.454 3.425 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000158125323 372053793 /nfs/dbraw/zinc/05/37/93/372053793.db2.gz PMLUWWKVVBARNJ-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000158125323 372053796 /nfs/dbraw/zinc/05/37/96/372053796.db2.gz PMLUWWKVVBARNJ-YOEHRIQHSA-N 1 3 276.424 3.078 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc2c1CNC2 ZINC000423382056 372057982 /nfs/dbraw/zinc/05/79/82/372057982.db2.gz JSHVVUXDTVVVMC-ZWKOTPCHSA-N 1 3 270.420 3.348 20 0 CGADHO c1coc([C@@H]2C[C@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423174878 372003715 /nfs/dbraw/zinc/00/37/15/372003715.db2.gz CVHORYRUXNIUAD-VVLHAWIVSA-N 1 3 282.387 3.218 20 0 CGADHO CC(C)Cc1cccc([C@H](C)[NH2+]C2CCNCC2)c1 ZINC000423178052 372007023 /nfs/dbraw/zinc/00/70/23/372007023.db2.gz FNZWDOFTGIDEOK-AWEZNQCLSA-N 1 3 260.425 3.288 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423176967 372007081 /nfs/dbraw/zinc/00/70/81/372007081.db2.gz GVJICRNHDYAIOW-TUVASFSCSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1cccc(-c2ccncc2)c1 ZINC000423182454 372010158 /nfs/dbraw/zinc/01/01/58/372010158.db2.gz KKAQDAAWIXHNAB-CQSZACIVSA-N 1 3 281.403 3.151 20 0 CGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCCN ZINC000423183795 372010328 /nfs/dbraw/zinc/01/03/28/372010328.db2.gz HQUBRJWULFJLBH-OAHLLOKOSA-N 1 3 268.832 3.236 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423407409 372062441 /nfs/dbraw/zinc/06/24/41/372062441.db2.gz VTBYCOKGSPCNDZ-RLCCDNCMSA-N 1 3 278.827 3.305 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423461026 372066271 /nfs/dbraw/zinc/06/62/71/372066271.db2.gz JFWYNQRKRMJOBG-DEYYWGMASA-N 1 3 286.394 3.435 20 0 CGADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(C)s2)CC1 ZINC000159046341 372102119 /nfs/dbraw/zinc/10/21/19/372102119.db2.gz OIHWLXHUBXWFDL-CQSZACIVSA-N 1 3 296.480 3.208 20 0 CGADHO CC(C)CC[NH+]1CCC(CN[C@H](C)c2ccccn2)CC1 ZINC000159324097 372130890 /nfs/dbraw/zinc/13/08/90/372130890.db2.gz VODZGJIUQZQUAB-MRXNPFEDSA-N 1 3 289.467 3.490 20 0 CGADHO CCc1cc(N2CC[C@H](C[NH+](C)C)C2)c2ccccc2n1 ZINC000293186886 372321044 /nfs/dbraw/zinc/32/10/44/372321044.db2.gz WDLDGEKAKHWMHT-CQSZACIVSA-N 1 3 283.419 3.185 20 0 CGADHO COc1cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)ccc1SC ZINC000293318515 372353434 /nfs/dbraw/zinc/35/34/34/372353434.db2.gz FNAFIFJEVZGWGG-STQMWFEESA-N 1 3 296.480 3.265 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000293676583 372446528 /nfs/dbraw/zinc/44/65/28/372446528.db2.gz RBSHIHAKPGARMY-WBVHZDCISA-N 1 3 290.451 3.033 20 0 CGADHO CCCC[C@@H](COC)NC1CC[NH+](CCCC)CC1 ZINC000164481594 372519362 /nfs/dbraw/zinc/51/93/62/372519362.db2.gz SHNFBEPPJJAWOG-INIZCTEOSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cncs1 ZINC000164621582 372526185 /nfs/dbraw/zinc/52/61/85/372526185.db2.gz BCUKGNAUIGKNAB-AWEZNQCLSA-N 1 3 281.469 3.450 20 0 CGADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)cs1 ZINC000295381472 372756141 /nfs/dbraw/zinc/75/61/41/372756141.db2.gz KNEJMCIRIFXKHX-UHFFFAOYSA-N 1 3 274.433 3.408 20 0 CGADHO C[NH2+]CCCN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000435878698 372823386 /nfs/dbraw/zinc/82/33/86/372823386.db2.gz FGHBFRQDGXFIDP-QWHCGFSZSA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000435878698 372823389 /nfs/dbraw/zinc/82/33/89/372823389.db2.gz FGHBFRQDGXFIDP-QWHCGFSZSA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000435878698 372823395 /nfs/dbraw/zinc/82/33/95/372823395.db2.gz FGHBFRQDGXFIDP-QWHCGFSZSA-N 1 3 268.832 3.373 20 0 CGADHO C[NH2+]CCCN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000435881625 372824822 /nfs/dbraw/zinc/82/48/22/372824822.db2.gz VRRHSHLAWXQIGX-IAGOWNOFSA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000435881625 372824829 /nfs/dbraw/zinc/82/48/29/372824829.db2.gz VRRHSHLAWXQIGX-IAGOWNOFSA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000435881625 372824838 /nfs/dbraw/zinc/82/48/38/372824838.db2.gz VRRHSHLAWXQIGX-IAGOWNOFSA-N 1 3 260.425 3.172 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000295507199 372807731 /nfs/dbraw/zinc/80/77/31/372807731.db2.gz UPHIOHCWTBHDQK-RVKKMQEKSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000295507199 372807737 /nfs/dbraw/zinc/80/77/37/372807737.db2.gz UPHIOHCWTBHDQK-RVKKMQEKSA-N 1 3 290.451 3.182 20 0 CGADHO Cc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cs1 ZINC000295765948 372904561 /nfs/dbraw/zinc/90/45/61/372904561.db2.gz QMYYDGQQNNXGEC-GOOCMWNKSA-N 1 3 264.438 3.161 20 0 CGADHO Cc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cs1 ZINC000295765948 372904562 /nfs/dbraw/zinc/90/45/62/372904562.db2.gz QMYYDGQQNNXGEC-GOOCMWNKSA-N 1 3 264.438 3.161 20 0 CGADHO Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cs1 ZINC000295765948 372904563 /nfs/dbraw/zinc/90/45/63/372904563.db2.gz QMYYDGQQNNXGEC-GOOCMWNKSA-N 1 3 264.438 3.161 20 0 CGADHO CN(CCCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758495 373073132 /nfs/dbraw/zinc/07/31/32/373073132.db2.gz IVIIDEIKQOVGCC-SJPCQFCGSA-N 1 3 292.854 3.487 20 0 CGADHO CN(CCCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760743 373073552 /nfs/dbraw/zinc/07/35/52/373073552.db2.gz OAAMIKGWFMBGQD-XYPWUTKMSA-N 1 3 250.430 3.172 20 0 CGADHO CCc1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298399579 373315635 /nfs/dbraw/zinc/31/56/35/373315635.db2.gz LTRVLNRFBTVGGX-UHFFFAOYSA-N 1 3 295.430 3.403 20 0 CGADHO Cc1cc(NCCCN2CCc3ccccc3C2)cc[nH+]1 ZINC000302294783 373850258 /nfs/dbraw/zinc/85/02/58/373850258.db2.gz LYXVEAXVUVDWIK-UHFFFAOYSA-N 1 3 281.403 3.250 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043419 374209659 /nfs/dbraw/zinc/20/96/59/374209659.db2.gz OIRRCODOLCBIPR-FUHWJXTLSA-N 1 3 274.452 3.139 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000182043419 374209661 /nfs/dbraw/zinc/20/96/61/374209661.db2.gz OIRRCODOLCBIPR-FUHWJXTLSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 ZINC000182043419 374209665 /nfs/dbraw/zinc/20/96/65/374209665.db2.gz OIRRCODOLCBIPR-FUHWJXTLSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 ZINC000182043419 374209668 /nfs/dbraw/zinc/20/96/68/374209668.db2.gz OIRRCODOLCBIPR-FUHWJXTLSA-N 1 3 274.452 3.139 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)CN(C)C ZINC000310916528 374229969 /nfs/dbraw/zinc/22/99/69/374229969.db2.gz ZFXBLSOWQRVTLF-GHMZBOCLSA-N 1 3 272.795 3.327 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1C ZINC000311819562 374256935 /nfs/dbraw/zinc/25/69/35/374256935.db2.gz MYRXQWYOCRZPTR-WBMJQRKESA-N 1 3 262.441 3.460 20 0 CGADHO Cc1cc(C)c([C@H](C)NC[C@@H](C)C[NH+](C)C)cc1C ZINC000311819562 374256937 /nfs/dbraw/zinc/25/69/37/374256937.db2.gz MYRXQWYOCRZPTR-WBMJQRKESA-N 1 3 262.441 3.460 20 0 CGADHO COC1(C[NH2+]CCCN2CCC(C)CC2)CCCCC1 ZINC000319613761 374347273 /nfs/dbraw/zinc/34/72/73/374347273.db2.gz KVQWFPDUSAUQSO-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO COC1(CNCCC[NH+]2CCC(C)CC2)CCCCC1 ZINC000319613761 374347278 /nfs/dbraw/zinc/34/72/78/374347278.db2.gz KVQWFPDUSAUQSO-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)c1C ZINC000183740415 374449222 /nfs/dbraw/zinc/44/92/22/374449222.db2.gz MIJRRISFEGGZGI-CVEARBPZSA-N 1 3 260.425 3.438 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000090015876 541956532 /nfs/dbraw/zinc/95/65/32/541956532.db2.gz ZADSRUNETHEBFG-ZWKOTPCHSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000090015876 541956536 /nfs/dbraw/zinc/95/65/36/541956536.db2.gz ZADSRUNETHEBFG-ZWKOTPCHSA-N 1 3 286.463 3.472 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000090400170 541959187 /nfs/dbraw/zinc/95/91/87/541959187.db2.gz AVOLIBDHUJFYPJ-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000090015874 541955991 /nfs/dbraw/zinc/95/59/91/541955991.db2.gz ZADSRUNETHEBFG-QZTJIDSGSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000090015874 541955996 /nfs/dbraw/zinc/95/59/96/541955996.db2.gz ZADSRUNETHEBFG-QZTJIDSGSA-N 1 3 286.463 3.472 20 0 CGADHO CCCN(CCc1cccs1)CC[C@H]1CCC[N@@H+]1C ZINC000464585682 374889118 /nfs/dbraw/zinc/88/91/18/374889118.db2.gz NNZHVCZILBWLKC-OAHLLOKOSA-N 1 3 280.481 3.487 20 0 CGADHO CCCN(CCc1cccs1)CC[C@H]1CCC[N@H+]1C ZINC000464585682 374889127 /nfs/dbraw/zinc/88/91/27/374889127.db2.gz NNZHVCZILBWLKC-OAHLLOKOSA-N 1 3 280.481 3.487 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)C1CCSCC1 ZINC000186947433 374943466 /nfs/dbraw/zinc/94/34/66/374943466.db2.gz MKPRDFBLNVXJSO-OAHLLOKOSA-N 1 3 284.513 3.230 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1ccccc1C1CC1 ZINC000094528245 541987585 /nfs/dbraw/zinc/98/75/85/541987585.db2.gz CAAYQZMYAJOLRN-MRXNPFEDSA-N 1 3 258.409 3.267 20 0 CGADHO NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528245 541987587 /nfs/dbraw/zinc/98/75/87/541987587.db2.gz CAAYQZMYAJOLRN-MRXNPFEDSA-N 1 3 258.409 3.267 20 0 CGADHO NCC[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528245 541987589 /nfs/dbraw/zinc/98/75/89/541987589.db2.gz CAAYQZMYAJOLRN-MRXNPFEDSA-N 1 3 258.409 3.267 20 0 CGADHO c1cnc2c(c1)cccc2CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334871118 375040925 /nfs/dbraw/zinc/04/09/25/375040925.db2.gz YBGMJRZLMIHYIF-WMZOPIPTSA-N 1 3 295.430 3.199 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938612 375038667 /nfs/dbraw/zinc/03/86/67/375038667.db2.gz KQWMCWPRHCMPQE-AEFFLSMTSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938612 375038674 /nfs/dbraw/zinc/03/86/74/375038674.db2.gz KQWMCWPRHCMPQE-AEFFLSMTSA-N 1 3 290.426 3.489 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187818804 375102601 /nfs/dbraw/zinc/10/26/01/375102601.db2.gz DTJPJDJKIJGNAS-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187818804 375102607 /nfs/dbraw/zinc/10/26/07/375102607.db2.gz DTJPJDJKIJGNAS-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187818804 375102612 /nfs/dbraw/zinc/10/26/12/375102612.db2.gz DTJPJDJKIJGNAS-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO C[NH+](C)CC[C@H](NC/C=C/c1ccncc1)C(C)(C)C ZINC000487283244 375219240 /nfs/dbraw/zinc/21/92/40/375219240.db2.gz WOXOZCXPIXDMPR-MOEXGYKKSA-N 1 3 275.440 3.051 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189113409 375327031 /nfs/dbraw/zinc/32/70/31/375327031.db2.gz WZGPKHOLAGDISO-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO c1ccc2c(c1)sc1c2CCC[C@@H]1NCC1C[NH2+]C1 ZINC000335553623 375329793 /nfs/dbraw/zinc/32/97/93/375329793.db2.gz ZTJISKQQBRFYGY-AWEZNQCLSA-N 1 3 272.417 3.088 20 0 CGADHO c1ccc2c(c1)sc1c2CCC[C@@H]1[NH2+]CC1CNC1 ZINC000335553623 375329796 /nfs/dbraw/zinc/32/97/96/375329796.db2.gz ZTJISKQQBRFYGY-AWEZNQCLSA-N 1 3 272.417 3.088 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)CN(C)C ZINC000491589237 375334899 /nfs/dbraw/zinc/33/48/99/375334899.db2.gz PCULMVHGLLUPSA-OIISXLGYSA-N 1 3 260.425 3.110 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)CN(C)C ZINC000491588935 375334936 /nfs/dbraw/zinc/33/49/36/375334936.db2.gz MTWFXHCWQYBSIT-NJAFHUGGSA-N 1 3 274.452 3.185 20 0 CGADHO Cc1cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc2cccnc12 ZINC000335756521 375403552 /nfs/dbraw/zinc/40/35/52/375403552.db2.gz QMOWHXJFHMNFSB-WMLDXEAASA-N 1 3 283.419 3.102 20 0 CGADHO c1cc(C2CC[NH+](CCCN3CCCCC3)CC2)ccn1 ZINC000191619071 375644041 /nfs/dbraw/zinc/64/40/41/375644041.db2.gz FFRIGUZIXXHZRZ-UHFFFAOYSA-N 1 3 287.451 3.137 20 0 CGADHO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc2c1CCNC2 ZINC000124015143 542030545 /nfs/dbraw/zinc/03/05/45/542030545.db2.gz RAZINHMLOOVMJD-XJKSGUPXSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc2c1CCNC2 ZINC000124015143 542030548 /nfs/dbraw/zinc/03/05/48/542030548.db2.gz RAZINHMLOOVMJD-XJKSGUPXSA-N 1 3 258.409 3.095 20 0 CGADHO Cc1ccccc1CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000123916365 542030639 /nfs/dbraw/zinc/03/06/39/542030639.db2.gz PTXIPOLBXCTWOH-UHFFFAOYSA-N 1 3 280.415 3.273 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)CN1CCCC1 ZINC000192698648 375780360 /nfs/dbraw/zinc/78/03/60/375780360.db2.gz YYRIYRVTQRZXRZ-YJBOKZPZSA-N 1 3 287.451 3.255 20 0 CGADHO c1ccc2c(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccnc2c1 ZINC000515002732 375809010 /nfs/dbraw/zinc/80/90/10/375809010.db2.gz UETCARUTGPGWHY-KXBFYZLASA-N 1 3 295.430 3.199 20 0 CGADHO Cc1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)s1 ZINC000516348353 375818996 /nfs/dbraw/zinc/81/89/96/375818996.db2.gz TXIORSDWZFHONF-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)s1 ZINC000516348353 375819001 /nfs/dbraw/zinc/81/90/01/375819001.db2.gz TXIORSDWZFHONF-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c(C)s1 ZINC000516348353 375819004 /nfs/dbraw/zinc/81/90/04/375819004.db2.gz TXIORSDWZFHONF-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c(C)s1 ZINC000516348353 375819014 /nfs/dbraw/zinc/81/90/14/375819014.db2.gz TXIORSDWZFHONF-HOCLYGCPSA-N 1 3 278.465 3.281 20 0 CGADHO CN(CCSCC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000193617977 375897515 /nfs/dbraw/zinc/89/75/15/375897515.db2.gz GNOPRIKGBVOECP-QGZVFWFLSA-N 1 3 292.492 3.336 20 0 CGADHO CN(CCSCC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000193617977 375897525 /nfs/dbraw/zinc/89/75/25/375897525.db2.gz GNOPRIKGBVOECP-QGZVFWFLSA-N 1 3 292.492 3.336 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1sccc1Br ZINC000336691629 375905512 /nfs/dbraw/zinc/90/55/12/375905512.db2.gz MTSBHRIXCFNEGC-SECBINFHSA-N 1 3 291.258 3.118 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000193358832 375867299 /nfs/dbraw/zinc/86/72/99/375867299.db2.gz QISICTNTXINVKP-PBHICJAKSA-N 1 3 275.440 3.081 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000193358832 375867305 /nfs/dbraw/zinc/86/73/05/375867305.db2.gz QISICTNTXINVKP-PBHICJAKSA-N 1 3 275.440 3.081 20 0 CGADHO CN(Cc1cc(Cl)cs1)CC1CC[NH+](C)CC1 ZINC000194379662 375995999 /nfs/dbraw/zinc/99/59/99/375995999.db2.gz MFXHMLXLMCQZSY-UHFFFAOYSA-N 1 3 272.845 3.175 20 0 CGADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(O)c1 ZINC000194840510 376047639 /nfs/dbraw/zinc/04/76/39/376047639.db2.gz PWTKPGVVUCPVNM-CQSZACIVSA-N 1 3 284.403 3.305 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924594 376242604 /nfs/dbraw/zinc/24/26/04/376242604.db2.gz YLODYVFVUFLISR-MAZHCROVSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000222924594 376242612 /nfs/dbraw/zinc/24/26/12/376242612.db2.gz YLODYVFVUFLISR-MAZHCROVSA-N 1 3 264.388 3.349 20 0 CGADHO CC(C)SCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000338291865 376318870 /nfs/dbraw/zinc/31/88/70/376318870.db2.gz NXIJTZQHHHJYED-LSDHHAIUSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338291865 376318874 /nfs/dbraw/zinc/31/88/74/376318874.db2.gz NXIJTZQHHHJYED-LSDHHAIUSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)SCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338291865 376318877 /nfs/dbraw/zinc/31/88/77/376318877.db2.gz NXIJTZQHHHJYED-LSDHHAIUSA-N 1 3 284.513 3.371 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326444 376352183 /nfs/dbraw/zinc/35/21/83/376352183.db2.gz CDFZBTFQTSFGMB-NEPJUHHUSA-N 1 3 268.351 3.087 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC(CC)(CC)CC)C1 ZINC000541089251 376420599 /nfs/dbraw/zinc/42/05/99/376420599.db2.gz GZMUYIXYNIHQGY-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC(CC)(CC)CC)C1 ZINC000541089251 376420606 /nfs/dbraw/zinc/42/06/06/376420606.db2.gz GZMUYIXYNIHQGY-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338690691 376481976 /nfs/dbraw/zinc/48/19/76/376481976.db2.gz FHMGPJWLAFIKOD-CGTJXYLNSA-N 1 3 272.436 3.254 20 0 CGADHO Cc1cc(C)cc(OCCCN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000234290076 376615554 /nfs/dbraw/zinc/61/55/54/376615554.db2.gz FOPSOSJIQDVXMJ-KRWDZBQOSA-N 1 3 290.451 3.146 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000339068107 376658016 /nfs/dbraw/zinc/65/80/16/376658016.db2.gz NZKYKNRFMICNSP-CVEARBPZSA-N 1 3 288.435 3.060 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000339068107 376658023 /nfs/dbraw/zinc/65/80/23/376658023.db2.gz NZKYKNRFMICNSP-CVEARBPZSA-N 1 3 288.435 3.060 20 0 CGADHO c1ccc(SCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339069865 376660635 /nfs/dbraw/zinc/66/06/35/376660635.db2.gz YAXQOGONAVRDMZ-JKSUJKDBSA-N 1 3 290.476 3.385 20 0 CGADHO c1ccc(SCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069865 376660643 /nfs/dbraw/zinc/66/06/43/376660643.db2.gz YAXQOGONAVRDMZ-JKSUJKDBSA-N 1 3 290.476 3.385 20 0 CGADHO CCC1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000236642526 376677275 /nfs/dbraw/zinc/67/72/75/376677275.db2.gz BFPSCGHVLXCWEE-VYMRPNJYSA-N 1 3 296.499 3.434 20 0 CGADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000556925552 376906883 /nfs/dbraw/zinc/90/68/83/376906883.db2.gz UWQKTUNOEWLWJO-RYQLBKOJSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000556925552 376906890 /nfs/dbraw/zinc/90/68/90/376906890.db2.gz UWQKTUNOEWLWJO-RYQLBKOJSA-N 1 3 290.451 3.227 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]CC2CCCCCC2)C[C@H](C)O1 ZINC000557732083 376954823 /nfs/dbraw/zinc/95/48/23/376954823.db2.gz LVAVYWUOTZFDAQ-CALCHBBNSA-N 1 3 296.499 3.436 20 0 CGADHO CCCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340374004 377026195 /nfs/dbraw/zinc/02/61/95/377026195.db2.gz WRDHIWMSNYYJAS-KRWDZBQOSA-N 1 3 260.425 3.383 20 0 CGADHO CCCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000340374004 377026199 /nfs/dbraw/zinc/02/61/99/377026199.db2.gz WRDHIWMSNYYJAS-KRWDZBQOSA-N 1 3 260.425 3.383 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCC=C(C)C)C1 ZINC000246890524 377111957 /nfs/dbraw/zinc/11/19/57/377111957.db2.gz FKEXKGGTORUZRD-HZPDHXFCSA-N 1 3 252.446 3.443 20 0 CGADHO CC(C)[NH+](CCCN[C@H](C)[C@]1(C)CCCO1)C(C)C ZINC000340517636 377115923 /nfs/dbraw/zinc/11/59/23/377115923.db2.gz FBOCRKBYGGDLCH-CVEARBPZSA-N 1 3 270.461 3.043 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000558939071 377054366 /nfs/dbraw/zinc/05/43/66/377054366.db2.gz DFCZILAWDULPOH-HNNXBMFYSA-N 1 3 297.446 3.494 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246731964 377078676 /nfs/dbraw/zinc/07/86/76/377078676.db2.gz MEFGOJRIDPMJFZ-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246731964 377078684 /nfs/dbraw/zinc/07/86/84/377078684.db2.gz MEFGOJRIDPMJFZ-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2CCC2(C)C)C1 ZINC000560244703 377132751 /nfs/dbraw/zinc/13/27/51/377132751.db2.gz DJQNPMUWKVZXRS-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(F)c1 ZINC000247063261 377152810 /nfs/dbraw/zinc/15/28/10/377152810.db2.gz MQJVPCPAUWQIPM-NUEKZKHPSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(F)c1 ZINC000247063261 377152818 /nfs/dbraw/zinc/15/28/18/377152818.db2.gz MQJVPCPAUWQIPM-NUEKZKHPSA-N 1 3 294.414 3.055 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@H]2CCC[C@H]21 ZINC000560525863 377164146 /nfs/dbraw/zinc/16/41/46/377164146.db2.gz BNHNYYZANUFLOZ-UHOFOFEASA-N 1 3 296.817 3.442 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@H]2CCC[C@H]21 ZINC000560525863 377164152 /nfs/dbraw/zinc/16/41/52/377164152.db2.gz BNHNYYZANUFLOZ-UHOFOFEASA-N 1 3 296.817 3.442 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H]2CCC[C@H]21 ZINC000560525863 377164159 /nfs/dbraw/zinc/16/41/59/377164159.db2.gz BNHNYYZANUFLOZ-UHOFOFEASA-N 1 3 296.817 3.442 20 0 CGADHO C[C@H]1C[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000560883485 377197683 /nfs/dbraw/zinc/19/76/83/377197683.db2.gz JXLYDUQWOVPYGB-UONOGXRCSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247982151 377253312 /nfs/dbraw/zinc/25/33/12/377253312.db2.gz ILFZCCIHJRSJBV-NZSAHSFTSA-N 1 3 286.463 3.424 20 0 CGADHO C[C@H](CCc1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247982151 377253321 /nfs/dbraw/zinc/25/33/21/377253321.db2.gz ILFZCCIHJRSJBV-NZSAHSFTSA-N 1 3 286.463 3.424 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000248429246 377316425 /nfs/dbraw/zinc/31/64/25/377316425.db2.gz SXOZWWHRHMGNCC-GVDBMIGSSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000248384510 377300306 /nfs/dbraw/zinc/30/03/06/377300306.db2.gz FCFNRCKBOJGWKX-HOCLYGCPSA-N 1 3 278.415 3.030 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580166 377355558 /nfs/dbraw/zinc/35/55/58/377355558.db2.gz OIRRCODOLCBIPR-AEFFLSMTSA-N 1 3 274.452 3.139 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580166 377355564 /nfs/dbraw/zinc/35/55/64/377355564.db2.gz OIRRCODOLCBIPR-AEFFLSMTSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)Cc2ccccc2)C1 ZINC000248580166 377355572 /nfs/dbraw/zinc/35/55/72/377355572.db2.gz OIRRCODOLCBIPR-AEFFLSMTSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)Cc2ccccc2)C1 ZINC000248580166 377355582 /nfs/dbraw/zinc/35/55/82/377355582.db2.gz OIRRCODOLCBIPR-AEFFLSMTSA-N 1 3 274.452 3.139 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000248585220 377356803 /nfs/dbraw/zinc/35/68/03/377356803.db2.gz PUHJIUDCXUXTNG-AEFFLSMTSA-N 1 3 274.452 3.187 20 0 CGADHO CC[C@@H](C[N@@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000563136151 377408046 /nfs/dbraw/zinc/40/80/46/377408046.db2.gz BMCHLLJPYUGOSV-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@@H](C[N@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC000563136151 377408056 /nfs/dbraw/zinc/40/80/56/377408056.db2.gz BMCHLLJPYUGOSV-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)C1 ZINC000563425988 377463800 /nfs/dbraw/zinc/46/38/00/377463800.db2.gz RJJDPQPCUOHHDY-DLBZAZTESA-N 1 3 272.436 3.259 20 0 CGADHO CCc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000249506706 377509729 /nfs/dbraw/zinc/50/97/29/377509729.db2.gz YONOIXFXBSVUEZ-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000249506706 377509735 /nfs/dbraw/zinc/50/97/35/377509735.db2.gz YONOIXFXBSVUEZ-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000249506706 377509742 /nfs/dbraw/zinc/50/97/42/377509742.db2.gz YONOIXFXBSVUEZ-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000249506706 377509752 /nfs/dbraw/zinc/50/97/52/377509752.db2.gz YONOIXFXBSVUEZ-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CC(C)(C)CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166488572 542175534 /nfs/dbraw/zinc/17/55/34/542175534.db2.gz KMWDTIKCSDGTFH-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166488572 542175540 /nfs/dbraw/zinc/17/55/40/542175540.db2.gz KMWDTIKCSDGTFH-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166488572 542175544 /nfs/dbraw/zinc/17/55/44/542175544.db2.gz KMWDTIKCSDGTFH-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOCC1CCCC1 ZINC000313272767 249090403 /nfs/dbraw/zinc/09/04/03/249090403.db2.gz RCCAWXCZEKUKHX-NVXWUHKLSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313343693 249091189 /nfs/dbraw/zinc/09/11/89/249091189.db2.gz OXBLZRSJUCQHGJ-PBHICJAKSA-N 1 3 290.451 3.095 20 0 CGADHO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313343693 249091193 /nfs/dbraw/zinc/09/11/93/249091193.db2.gz OXBLZRSJUCQHGJ-PBHICJAKSA-N 1 3 290.451 3.095 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C12CCCC2 ZINC000250506417 377560350 /nfs/dbraw/zinc/56/03/50/377560350.db2.gz MQBXJOMUPJFMGI-IXDOHACOSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cc(C)cc([C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000469983910 249165232 /nfs/dbraw/zinc/16/52/32/249165232.db2.gz JLKHMPHBRIWHRJ-IRXDYDNUSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c1 ZINC000469983910 249165233 /nfs/dbraw/zinc/16/52/33/249165233.db2.gz JLKHMPHBRIWHRJ-IRXDYDNUSA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c1 ZINC000469983910 249165234 /nfs/dbraw/zinc/16/52/34/249165234.db2.gz JLKHMPHBRIWHRJ-IRXDYDNUSA-N 1 3 272.436 3.092 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@H](C)CCc2ccccc2)C1 ZINC000469997120 249166092 /nfs/dbraw/zinc/16/60/92/249166092.db2.gz VWASINHPWABCLN-AEFFLSMTSA-N 1 3 274.452 3.187 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000469997120 249166095 /nfs/dbraw/zinc/16/60/95/249166095.db2.gz VWASINHPWABCLN-AEFFLSMTSA-N 1 3 274.452 3.187 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000469997120 249166097 /nfs/dbraw/zinc/16/60/97/249166097.db2.gz VWASINHPWABCLN-AEFFLSMTSA-N 1 3 274.452 3.187 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000514615332 249182944 /nfs/dbraw/zinc/18/29/44/249182944.db2.gz TZQZBVNWLIRYIM-GJZGRUSLSA-N 1 3 289.398 3.099 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1=CCN(C)CC1 ZINC000515407410 249210882 /nfs/dbraw/zinc/21/08/82/249210882.db2.gz VCRNLOJPBQYECP-ZDUSSCGKSA-N 1 3 294.389 3.137 20 0 CGADHO C(CC1CCCC1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000251419424 377582885 /nfs/dbraw/zinc/58/28/85/377582885.db2.gz SBAKFFGPGBZUEX-BBWFWOEESA-N 1 3 264.457 3.467 20 0 CGADHO CC1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000251532321 377587095 /nfs/dbraw/zinc/58/70/95/377587095.db2.gz AJFZMBOWHDINTN-CKUJCDMFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC1(C)C ZINC000252130640 377615881 /nfs/dbraw/zinc/61/58/81/377615881.db2.gz KTGALHKIRBAQGJ-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO Cc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1C ZINC000574678778 377694491 /nfs/dbraw/zinc/69/44/91/377694491.db2.gz XEZCVHNQBAOAEQ-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1C ZINC000574678778 377694499 /nfs/dbraw/zinc/69/44/99/377694499.db2.gz XEZCVHNQBAOAEQ-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000253233031 377680734 /nfs/dbraw/zinc/68/07/34/377680734.db2.gz LPKROYAPNMJXAY-CVEARBPZSA-N 1 3 298.540 3.476 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H](C)N ZINC000261546348 377815142 /nfs/dbraw/zinc/81/51/42/377815142.db2.gz KWOCDNTZPKRSRK-LSDHHAIUSA-N 1 3 284.403 3.091 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCOCC1 ZINC000261672098 377836639 /nfs/dbraw/zinc/83/66/39/377836639.db2.gz LLYVLRCHGUWGEU-BRWVUGGUSA-N 1 3 294.483 3.094 20 0 CGADHO CCN(C[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccsc1 ZINC000262037099 377882353 /nfs/dbraw/zinc/88/23/53/377882353.db2.gz XVOFWQUSLQERTP-ZFWWWQNUSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@H+](C[C@H]1CCCNC1)[C@@H](C)Cc1ccsc1 ZINC000262037099 377882359 /nfs/dbraw/zinc/88/23/59/377882359.db2.gz XVOFWQUSLQERTP-ZFWWWQNUSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@@H+](C[C@H]1CCCNC1)[C@@H](C)Cc1ccsc1 ZINC000262037099 377882363 /nfs/dbraw/zinc/88/23/63/377882363.db2.gz XVOFWQUSLQERTP-ZFWWWQNUSA-N 1 3 266.454 3.001 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)cc1C ZINC000262115697 377888793 /nfs/dbraw/zinc/88/87/93/377888793.db2.gz WWBLFDSBXPZZNY-ZWKOTPCHSA-N 1 3 272.436 3.440 20 0 CGADHO COc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc12 ZINC000262324965 377893118 /nfs/dbraw/zinc/89/31/18/377893118.db2.gz RNRYCAIXAKKRFO-HUUCEWRRSA-N 1 3 298.430 3.408 20 0 CGADHO CC[N@H+](C[C@@H]1CCC[C@H](C)C1)[C@H]1CCCNCC1 ZINC000261745869 377848945 /nfs/dbraw/zinc/84/89/45/377848945.db2.gz BURGSDLBKAUOIA-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCC[C@H](C)C1)[C@H]1CCCNCC1 ZINC000261745869 377848947 /nfs/dbraw/zinc/84/89/47/377848947.db2.gz BURGSDLBKAUOIA-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1 ZINC000261807635 377855809 /nfs/dbraw/zinc/85/58/09/377855809.db2.gz HMQCNRZWODXALF-WXYCVUISSA-N 1 3 278.827 3.113 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000265976746 190220403 /nfs/dbraw/zinc/22/04/03/190220403.db2.gz BYRAVGNFMFSXSQ-JKSUJKDBSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000265976746 190220404 /nfs/dbraw/zinc/22/04/04/190220404.db2.gz BYRAVGNFMFSXSQ-JKSUJKDBSA-N 1 3 260.425 3.218 20 0 CGADHO C[C@H]1C[C@H](NCc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893500 378145493 /nfs/dbraw/zinc/14/54/93/378145493.db2.gz DPEVYKWSXCJKOR-QFBILLFUSA-N 1 3 297.446 3.168 20 0 CGADHO C[C@H]1C[C@H](NCc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893500 378145499 /nfs/dbraw/zinc/14/54/99/378145499.db2.gz DPEVYKWSXCJKOR-QFBILLFUSA-N 1 3 297.446 3.168 20 0 CGADHO COc1ccc2oc([C@H](C)[NH2+]CCCN(C)C)c(C)c2c1 ZINC000268726924 378097536 /nfs/dbraw/zinc/09/75/36/378097536.db2.gz RDLLFGSFOMMHDV-ZDUSSCGKSA-N 1 3 290.407 3.352 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3cccnc32)C1 ZINC000269135545 378191814 /nfs/dbraw/zinc/19/18/14/378191814.db2.gz RFBWBJDIRAGWAA-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3cccnc32)C1 ZINC000269135545 378191818 /nfs/dbraw/zinc/19/18/18/378191818.db2.gz RFBWBJDIRAGWAA-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135545 378191822 /nfs/dbraw/zinc/19/18/22/378191822.db2.gz RFBWBJDIRAGWAA-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc3cccnc32)C1 ZINC000269135545 378191826 /nfs/dbraw/zinc/19/18/26/378191826.db2.gz RFBWBJDIRAGWAA-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2cc(F)ccc2SC)[C@H](C)C1 ZINC000345167636 378210388 /nfs/dbraw/zinc/21/03/88/378210388.db2.gz RXZVONBGYBCLJL-DOMZBBRYSA-N 1 3 296.455 3.368 20 0 CGADHO CCN(Cc1c(C)cccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345196022 378219757 /nfs/dbraw/zinc/21/97/57/378219757.db2.gz BTTXWWSOXIKHNW-INIZCTEOSA-N 1 3 260.425 3.267 20 0 CGADHO CCN(Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]CC1 ZINC000345212421 378225288 /nfs/dbraw/zinc/22/52/88/378225288.db2.gz VCCAFHLZEBUKAF-SFHVURJKSA-N 1 3 272.436 3.139 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000580702169 378250154 /nfs/dbraw/zinc/25/01/54/378250154.db2.gz KDFCDNSZJVVWEO-IAGOWNOFSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580702169 378250156 /nfs/dbraw/zinc/25/01/56/378250156.db2.gz KDFCDNSZJVVWEO-IAGOWNOFSA-N 1 3 290.451 3.050 20 0 CGADHO CCc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000583816930 378348636 /nfs/dbraw/zinc/34/86/36/378348636.db2.gz PXUVWGQRDXDLBK-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000583816930 378348639 /nfs/dbraw/zinc/34/86/39/378348639.db2.gz PXUVWGQRDXDLBK-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000583816930 378348644 /nfs/dbraw/zinc/34/86/44/378348644.db2.gz PXUVWGQRDXDLBK-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000583816930 378348649 /nfs/dbraw/zinc/34/86/49/378348649.db2.gz PXUVWGQRDXDLBK-ZWKOTPCHSA-N 1 3 272.436 3.165 20 0 CGADHO COc1ccc([C@H]([NH2+]CC2=CCN(C)CC2)C(C)C)cc1 ZINC000271810967 378505797 /nfs/dbraw/zinc/50/57/97/378505797.db2.gz ASZJEAAQEBVATA-GOSISDBHSA-N 1 3 288.435 3.244 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1C ZINC000271917356 378516466 /nfs/dbraw/zinc/51/64/66/378516466.db2.gz ZGMIEWBPEBOYNN-HNNXBMFYSA-N 1 3 258.409 3.216 20 0 CGADHO Cc1cc2cc(CN3CC[C@@H]([C@H](C)[NH3+])C3)oc2cc1C ZINC000346652557 378663495 /nfs/dbraw/zinc/66/34/95/378663495.db2.gz HKUOYGAXRMMAJB-UONOGXRCSA-N 1 3 272.392 3.219 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000346695095 378678078 /nfs/dbraw/zinc/67/80/78/378678078.db2.gz YFIPMHIPNMDHRK-UHFFFAOYSA-N 1 3 281.469 3.088 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346849182 378694036 /nfs/dbraw/zinc/69/40/36/378694036.db2.gz RSVOWTRQOASZDP-GOEBONIOSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346849182 378694039 /nfs/dbraw/zinc/69/40/39/378694039.db2.gz RSVOWTRQOASZDP-GOEBONIOSA-N 1 3 250.430 3.031 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNC[C@H](OC)C2CC2)cc1 ZINC000638309966 378765961 /nfs/dbraw/zinc/76/59/61/378765961.db2.gz TZSBFKCZYFSOCK-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1ccncc1[C@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000274118236 378779134 /nfs/dbraw/zinc/77/91/34/378779134.db2.gz AFUPZRZMEVHDDF-HNNXBMFYSA-N 1 3 275.440 3.163 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)sn1 ZINC000638366560 378780616 /nfs/dbraw/zinc/78/06/16/378780616.db2.gz OICWUKCTMNOLLY-ZDUSSCGKSA-N 1 3 281.469 3.053 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)sn1 ZINC000638366560 378780624 /nfs/dbraw/zinc/78/06/24/378780624.db2.gz OICWUKCTMNOLLY-ZDUSSCGKSA-N 1 3 281.469 3.053 20 0 CGADHO CCC[C@H](CNCc1cccc(C[N@H+](C)CC)c1)OC ZINC000638562937 378835053 /nfs/dbraw/zinc/83/50/53/378835053.db2.gz GLAJLCRZIQPZRC-QGZVFWFLSA-N 1 3 278.440 3.043 20 0 CGADHO CCC[C@H](CNCc1cccc(C[N@@H+](C)CC)c1)OC ZINC000638562937 378835058 /nfs/dbraw/zinc/83/50/58/378835058.db2.gz GLAJLCRZIQPZRC-QGZVFWFLSA-N 1 3 278.440 3.043 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1C ZINC000346847424 218034583 /nfs/dbraw/zinc/03/45/83/218034583.db2.gz MLSDWCBPKVOTTF-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1C ZINC000346847424 218034586 /nfs/dbraw/zinc/03/45/86/218034586.db2.gz MLSDWCBPKVOTTF-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1C ZINC000346847424 218034587 /nfs/dbraw/zinc/03/45/87/218034587.db2.gz MLSDWCBPKVOTTF-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO CC(C)O[C@@H](CNC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000638589741 378843474 /nfs/dbraw/zinc/84/34/74/378843474.db2.gz XUHSTZGSEYOHOT-AEFFLSMTSA-N 1 3 290.451 3.084 20 0 CGADHO CC(C)O[C@@H](CNC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000638589741 378843478 /nfs/dbraw/zinc/84/34/78/378843478.db2.gz XUHSTZGSEYOHOT-AEFFLSMTSA-N 1 3 290.451 3.084 20 0 CGADHO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346851144 218036303 /nfs/dbraw/zinc/03/63/03/218036303.db2.gz QOALTKPADLMXIQ-WMZOPIPTSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346851144 218036305 /nfs/dbraw/zinc/03/63/05/218036305.db2.gz QOALTKPADLMXIQ-WMZOPIPTSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccc(-c2cccc(CN3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000347008991 218091164 /nfs/dbraw/zinc/09/11/64/218091164.db2.gz FERPZUURWZDZPO-KRWDZBQOSA-N 1 3 280.415 3.443 20 0 CGADHO CC(C)O[C@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000638837938 378931863 /nfs/dbraw/zinc/93/18/63/378931863.db2.gz AXSIBAHZBLPGSY-GOSISDBHSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)c1ncc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000347014844 218093131 /nfs/dbraw/zinc/09/31/31/218093131.db2.gz ABCUBDNWNFIEOI-HNNXBMFYSA-N 1 3 293.480 3.231 20 0 CGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000370670552 379048712 /nfs/dbraw/zinc/04/87/12/379048712.db2.gz DRVXAVGPFMJIDJ-VGWMRTNUSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cccc(CCC[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277038089 379048870 /nfs/dbraw/zinc/04/88/70/379048870.db2.gz BPLIOSUIJOSEBK-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277038089 379048880 /nfs/dbraw/zinc/04/88/80/379048880.db2.gz BPLIOSUIJOSEBK-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1cccc(CCCN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277038089 379048893 /nfs/dbraw/zinc/04/88/93/379048893.db2.gz BPLIOSUIJOSEBK-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1cccc(CCC[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277038085 379050183 /nfs/dbraw/zinc/05/01/83/379050183.db2.gz BPLIOSUIJOSEBK-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277038085 379050188 /nfs/dbraw/zinc/05/01/88/379050188.db2.gz BPLIOSUIJOSEBK-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1cccc(CCCN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277038085 379050192 /nfs/dbraw/zinc/05/01/92/379050192.db2.gz BPLIOSUIJOSEBK-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277318901 379130156 /nfs/dbraw/zinc/13/01/56/379130156.db2.gz VAKTVBLQFIFDIP-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277318901 379130162 /nfs/dbraw/zinc/13/01/62/379130162.db2.gz VAKTVBLQFIFDIP-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277318901 379130171 /nfs/dbraw/zinc/13/01/71/379130171.db2.gz VAKTVBLQFIFDIP-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000277994849 379278880 /nfs/dbraw/zinc/27/88/80/379278880.db2.gz CWVPVGRQFWUGLZ-GFCCVEGCSA-N 1 3 294.389 3.490 20 0 CGADHO CCCN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000351595440 379729248 /nfs/dbraw/zinc/72/92/48/379729248.db2.gz KSVPQSKQGCZIIZ-IAGOWNOFSA-N 1 3 282.472 3.142 20 0 CGADHO CCCN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000351595440 379729254 /nfs/dbraw/zinc/72/92/54/379729254.db2.gz KSVPQSKQGCZIIZ-IAGOWNOFSA-N 1 3 282.472 3.142 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](CC)c2ccc(F)cn2)CC1 ZINC000352685408 379908937 /nfs/dbraw/zinc/90/89/37/379908937.db2.gz TXCYVRJSYUEHSD-INIZCTEOSA-N 1 3 293.430 3.383 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000394470013 379919694 /nfs/dbraw/zinc/91/96/94/379919694.db2.gz DVLUKFLPZJCGPL-HZSPNIEDSA-N 1 3 272.383 3.028 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000394470013 379919699 /nfs/dbraw/zinc/91/96/99/379919699.db2.gz DVLUKFLPZJCGPL-HZSPNIEDSA-N 1 3 272.383 3.028 20 0 CGADHO Cc1cc([C@@H](C)NCC2(C)CC[NH+](C)CC2)oc1C ZINC000282737295 379980255 /nfs/dbraw/zinc/98/02/55/379980255.db2.gz MXDMGFMZKCKJJV-CYBMUJFWSA-N 1 3 264.413 3.279 20 0 CGADHO CC(C)C[C@H](C)CN1CCC([NH+]2CCCC2)CC1 ZINC000410327449 380086181 /nfs/dbraw/zinc/08/61/81/380086181.db2.gz UXGSZTXDUXXDJN-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@H](C)C[NH+]1CCC(N2CCCC2)CC1 ZINC000410327449 380086185 /nfs/dbraw/zinc/08/61/85/380086185.db2.gz UXGSZTXDUXXDJN-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414189050 380200195 /nfs/dbraw/zinc/20/01/95/380200195.db2.gz QXQSNXZAQCJIJI-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189050 380200196 /nfs/dbraw/zinc/20/01/96/380200196.db2.gz QXQSNXZAQCJIJI-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO CN(CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1Cl ZINC000643056234 380209108 /nfs/dbraw/zinc/20/91/08/380209108.db2.gz PGMPPSYEMUASHT-LLVKDONJSA-N 1 3 287.234 3.425 20 0 CGADHO C[C@@H]1c2ccc(F)cc2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000643058160 380210645 /nfs/dbraw/zinc/21/06/45/380210645.db2.gz JCEIRMGXLVFBRQ-ZIAGYGMSSA-N 1 3 276.399 3.135 20 0 CGADHO CC[NH2+]CCCN[C@H](C)c1cccc2ccccc21 ZINC000643498690 380320247 /nfs/dbraw/zinc/32/02/47/380320247.db2.gz BUKILAMTMUKAFP-CQSZACIVSA-N 1 3 256.393 3.490 20 0 CGADHO Fc1ccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000643521910 380336978 /nfs/dbraw/zinc/33/69/78/380336978.db2.gz FERKGBYLAGRLTQ-JKSUJKDBSA-N 1 3 262.372 3.009 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H]1CCC[NH2+]CC1 ZINC000643522097 380337171 /nfs/dbraw/zinc/33/71/71/380337171.db2.gz HTHDMYDBRZSBPF-UKRRQHHQSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCCNCC1 ZINC000643522097 380337174 /nfs/dbraw/zinc/33/71/74/380337174.db2.gz HTHDMYDBRZSBPF-UKRRQHHQSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCCNC1 ZINC000643458025 380309794 /nfs/dbraw/zinc/30/97/94/380309794.db2.gz QRYXJJMMQONFBJ-SMLCLMEVSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460323 380311882 /nfs/dbraw/zinc/31/18/82/380311882.db2.gz PWFZFKNTPUHVIM-NRSFXHEJSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)c1ccncc1 ZINC000643460323 380311886 /nfs/dbraw/zinc/31/18/86/380311886.db2.gz PWFZFKNTPUHVIM-NRSFXHEJSA-N 1 3 287.451 3.086 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000643547927 380363656 /nfs/dbraw/zinc/36/36/56/380363656.db2.gz KYGDAQSYRWZZJI-GJZGRUSLSA-N 1 3 250.430 3.220 20 0 CGADHO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548915 380364810 /nfs/dbraw/zinc/36/48/10/380364810.db2.gz XJPQILXDXXJPGF-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643548928 380364826 /nfs/dbraw/zinc/36/48/26/380364826.db2.gz XQBISSQVRHJTPJ-ZIAGYGMSSA-N 1 3 250.430 3.220 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548735 380365107 /nfs/dbraw/zinc/36/51/07/380365107.db2.gz UIWQIYOFKNEZCE-HRCADAONSA-N 1 3 294.483 3.235 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548735 380365113 /nfs/dbraw/zinc/36/51/13/380365113.db2.gz UIWQIYOFKNEZCE-HRCADAONSA-N 1 3 294.483 3.235 20 0 CGADHO C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548975 380367265 /nfs/dbraw/zinc/36/72/65/380367265.db2.gz YIYYTMPVUPMXIR-RDJZCZTQSA-N 1 3 287.451 3.057 20 0 CGADHO C[C@@H]1C[C@H](CN(Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682178 380370809 /nfs/dbraw/zinc/37/08/09/380370809.db2.gz XZTQUWKJXXVUBT-CHWSQXEVSA-N 1 3 294.389 3.317 20 0 CGADHO C[C@@H]1C[C@@H](CN(Cc2ccc(F)cc2F)C2CC2)CC[NH2+]1 ZINC000414682180 380371498 /nfs/dbraw/zinc/37/14/98/380371498.db2.gz XZTQUWKJXXVUBT-OLZOCXBDSA-N 1 3 294.389 3.317 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCCN ZINC000414707497 380381064 /nfs/dbraw/zinc/38/10/64/380381064.db2.gz ODUJRJUVOVCPFN-NWDGAFQWSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCCN ZINC000414707497 380381071 /nfs/dbraw/zinc/38/10/71/380381071.db2.gz ODUJRJUVOVCPFN-NWDGAFQWSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCC[NH3+] ZINC000414707497 380381077 /nfs/dbraw/zinc/38/10/77/380381077.db2.gz ODUJRJUVOVCPFN-NWDGAFQWSA-N 1 3 254.805 3.113 20 0 CGADHO CCCOc1cccc(CN(CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000414708393 380382919 /nfs/dbraw/zinc/38/29/19/380382919.db2.gz CRNBZWYEYAJKJS-KRWDZBQOSA-N 1 3 290.451 3.439 20 0 CGADHO Cc1csc(C2(NC[C@@H]3CC[NH2+][C@@H](C)C3)CCCC2)n1 ZINC000414716969 380385405 /nfs/dbraw/zinc/38/54/05/380385405.db2.gz YONHEZYQPLJAAQ-GXTWGEPZSA-N 1 3 293.480 3.199 20 0 CGADHO CCN(CCC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414741999 380391101 /nfs/dbraw/zinc/39/11/01/380391101.db2.gz MWAVDCUKIBCTDT-NSHDSACASA-N 1 3 274.330 3.437 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643523012 380339411 /nfs/dbraw/zinc/33/94/11/380339411.db2.gz VOIPFNMUFJVIMW-GUYCJALGSA-N 1 3 288.435 3.149 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643523010 380339576 /nfs/dbraw/zinc/33/95/76/380339576.db2.gz VOIPFNMUFJVIMW-CXAGYDPISA-N 1 3 288.435 3.149 20 0 CGADHO Fc1ccc2c(c1)[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643533906 380348386 /nfs/dbraw/zinc/34/83/86/380348386.db2.gz HQXFQGYWCJCYMG-DZGCQCFKSA-N 1 3 292.423 3.094 20 0 CGADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000354163661 380349505 /nfs/dbraw/zinc/34/95/05/380349505.db2.gz MRPXIXXQAIJQNJ-QZTJIDSGSA-N 1 3 290.451 3.043 20 0 CGADHO CC1(C)Cc2occc2[C@@H](N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000643537118 380353736 /nfs/dbraw/zinc/35/37/36/380353736.db2.gz ZLSSSVMVWUBQFH-ZFWWWQNUSA-N 1 3 274.408 3.025 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CNCCCO1)c1cccc2ccccc21 ZINC000643542405 380357857 /nfs/dbraw/zinc/35/78/57/380357857.db2.gz MCHWJNYJLAYVQA-LPHOPBHVSA-N 1 3 298.430 3.259 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414826001 380435469 /nfs/dbraw/zinc/43/54/69/380435469.db2.gz UYJMNLRZONAEBF-IIAWOOMASA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000414826556 380436200 /nfs/dbraw/zinc/43/62/00/380436200.db2.gz JCLDMFVOOPWFOX-JTUUTPGSSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)NCC1([NH3+])CCCCC1 ZINC000414846023 380450128 /nfs/dbraw/zinc/45/01/28/380450128.db2.gz RXAPOQULCCFVRS-CQSZACIVSA-N 1 3 278.415 3.398 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+]C[C@@H]1CCCNC1 ZINC000414846943 380451706 /nfs/dbraw/zinc/45/17/06/380451706.db2.gz FMRSOYKSPVOJAY-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)NCC1([NH3+])CCCCC1 ZINC000414850512 380453136 /nfs/dbraw/zinc/45/31/36/380453136.db2.gz ZGVHJYPCCXALCL-AWEZNQCLSA-N 1 3 278.415 3.398 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)CC(C)(C)c1ccccc1 ZINC000414787801 380404730 /nfs/dbraw/zinc/40/47/30/380404730.db2.gz CRDDBCGTPOGFFG-ZBFHGGJFSA-N 1 3 262.441 3.316 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000414793095 380408339 /nfs/dbraw/zinc/40/83/39/380408339.db2.gz JTRSHTCWWZHRHJ-ZWNOBZJWSA-N 1 3 273.207 3.210 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000414800924 380412052 /nfs/dbraw/zinc/41/20/52/380412052.db2.gz LPBITKJQXRDSSK-BBRMVZONSA-N 1 3 272.392 3.348 20 0 CGADHO CCSc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414808770 380420422 /nfs/dbraw/zinc/42/04/22/380420422.db2.gz STFZXZOYCFAPEC-UKRRQHHQSA-N 1 3 264.438 3.016 20 0 CGADHO Cc1nc2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2s1 ZINC000414811444 380421883 /nfs/dbraw/zinc/42/18/83/380421883.db2.gz WHDGWTJGAQVEDM-ZIAGYGMSSA-N 1 3 289.448 3.212 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000414920552 380490264 /nfs/dbraw/zinc/49/02/64/380490264.db2.gz XZVGQHXNPMEYRN-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414923571 380491445 /nfs/dbraw/zinc/49/14/45/380491445.db2.gz INGKHBXLNOESLO-JKSUJKDBSA-N 1 3 276.424 3.081 20 0 CGADHO CC(C)C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1 ZINC000414936998 380494969 /nfs/dbraw/zinc/49/49/69/380494969.db2.gz HHLKRUUBGWOMBH-KBAYOESNSA-N 1 3 274.452 3.404 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414933474 380495713 /nfs/dbraw/zinc/49/57/13/380495713.db2.gz APJMQZKOOORFTF-DKIMLUQUSA-N 1 3 272.436 3.227 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000414933152 380496356 /nfs/dbraw/zinc/49/63/56/380496356.db2.gz WSUWKAODADLSDZ-QZTJIDSGSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414942761 380499944 /nfs/dbraw/zinc/49/99/44/380499944.db2.gz MWXOYKZLPNMDEM-ZCPGHIKRSA-N 1 3 276.399 3.049 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414942444 380499975 /nfs/dbraw/zinc/49/99/75/380499975.db2.gz DLGIBAUBXDLDAF-IPYPFGDCSA-N 1 3 278.465 3.070 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414942444 380499977 /nfs/dbraw/zinc/49/99/77/380499977.db2.gz DLGIBAUBXDLDAF-IPYPFGDCSA-N 1 3 278.465 3.070 20 0 CGADHO CCCC1CCC(C[NH2+][C@@H]2CCNC[C@H]2C)CC1 ZINC000414951638 380502707 /nfs/dbraw/zinc/50/27/07/380502707.db2.gz HVHJSMWVKBWHML-PRLABOORSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000415062909 380507167 /nfs/dbraw/zinc/50/71/67/380507167.db2.gz ZQVDXUKFUCBTKA-FVCCEPFGSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000415062909 380507172 /nfs/dbraw/zinc/50/71/72/380507172.db2.gz ZQVDXUKFUCBTKA-FVCCEPFGSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000415111465 380509450 /nfs/dbraw/zinc/50/94/50/380509450.db2.gz QXJJUTZNCZNINB-OEAJRASXSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](CNC[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414893540 380478551 /nfs/dbraw/zinc/47/85/51/380478551.db2.gz RNAMRQGQQYTGEU-QMTHXVAHSA-N 1 3 286.341 3.136 20 0 CGADHO C[C@]1(CNCc2cccc3ccccc32)CCC[NH2+]C1 ZINC000414896459 380478575 /nfs/dbraw/zinc/47/85/75/380478575.db2.gz BXCUEWSFLJOKPK-SFHVURJKSA-N 1 3 268.404 3.319 20 0 CGADHO C[C@]1(C[NH2+]Cc2cccc3ccccc32)CCCNC1 ZINC000414896459 380478582 /nfs/dbraw/zinc/47/85/82/380478582.db2.gz BXCUEWSFLJOKPK-SFHVURJKSA-N 1 3 268.404 3.319 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CC5)[C@@H]3C2)cc1 ZINC000417345274 380601593 /nfs/dbraw/zinc/60/15/93/380601593.db2.gz XLTOFLZBPIBJBM-MANSERQUSA-N 1 3 296.458 3.287 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357665 380851661 /nfs/dbraw/zinc/85/16/61/380851661.db2.gz DUTBTUGJENZNJQ-ROUUACIJSA-N 1 3 270.420 3.140 20 0 CGADHO CC(C)[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000356841620 380895752 /nfs/dbraw/zinc/89/57/52/380895752.db2.gz KFJGTHOFRMDENF-INIZCTEOSA-N 1 3 293.430 3.239 20 0 CGADHO CCN(Cc1ccc(C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435392548 285099094 /nfs/dbraw/zinc/09/90/94/285099094.db2.gz XDENPDAWTZCKGS-CYBMUJFWSA-N 1 3 252.427 3.021 20 0 CGADHO CO[C@H](C)CN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411718371 533080413 /nfs/dbraw/zinc/08/04/13/533080413.db2.gz CBOFOGPGMXDHTI-MRXNPFEDSA-N 1 3 290.451 3.139 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc12 ZINC000423392713 533174584 /nfs/dbraw/zinc/17/45/84/533174584.db2.gz LTOAGNJORAAXMH-SUNYJGFJSA-N 1 3 298.430 3.497 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)c2ccccc12 ZINC000423392713 533174589 /nfs/dbraw/zinc/17/45/89/533174589.db2.gz LTOAGNJORAAXMH-SUNYJGFJSA-N 1 3 298.430 3.497 20 0 CGADHO C[C@@H](CCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000348278087 542518013 /nfs/dbraw/zinc/51/80/13/542518013.db2.gz SXAFPFYSQJGINT-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000348278087 542518020 /nfs/dbraw/zinc/51/80/20/542518020.db2.gz SXAFPFYSQJGINT-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000348278087 542518025 /nfs/dbraw/zinc/51/80/25/542518025.db2.gz SXAFPFYSQJGINT-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@H](C)C1 ZINC000348278087 542518031 /nfs/dbraw/zinc/51/80/31/542518031.db2.gz SXAFPFYSQJGINT-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)ccc2c1 ZINC000423268939 533335828 /nfs/dbraw/zinc/33/58/28/533335828.db2.gz VJFJCMJCZGJSGU-FZKQIMNGSA-N 1 3 286.419 3.482 20 0 CGADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cccc(F)c1F ZINC000423476616 533388665 /nfs/dbraw/zinc/38/86/65/533388665.db2.gz JCCUPNFVCIXFOD-VXGBXAGGSA-N 1 3 268.351 3.148 20 0 CGADHO C[C@@H]([NH2+]CC1(C)CC1)c1cccc(OCCN(C)C)c1 ZINC000358207821 533354666 /nfs/dbraw/zinc/35/46/66/533354666.db2.gz URAJNSUIYHBYAJ-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000358183154 533354852 /nfs/dbraw/zinc/35/48/52/533354852.db2.gz DQJHGZGVXRCNLE-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc2c(c1)CCCC2 ZINC000423337306 533360546 /nfs/dbraw/zinc/36/05/46/533360546.db2.gz VEZMBOFTHHQOPD-CYBMUJFWSA-N 1 3 258.409 3.097 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)[C@H]1CCCNC1 ZINC000414818936 533409611 /nfs/dbraw/zinc/40/96/11/533409611.db2.gz GGTPRDNIQQIGTJ-NFAWXSAZSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284911 533511002 /nfs/dbraw/zinc/51/10/02/533511002.db2.gz XMVWIPJWPDEAOE-PXAZEXFGSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1F)c1ccccc1)[C@H](C)N ZINC000423461027 533513720 /nfs/dbraw/zinc/51/37/20/533513720.db2.gz JFWYNQRKRMJOBG-IYOUNJFTSA-N 1 3 286.394 3.435 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@]2(C)CCCOC2)CC1 ZINC000357873978 533607003 /nfs/dbraw/zinc/60/70/03/533607003.db2.gz RYCMNZKFYKUZNT-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@]2(C)CCCOC2)CC1 ZINC000357873978 533607011 /nfs/dbraw/zinc/60/70/11/533607011.db2.gz RYCMNZKFYKUZNT-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000414919925 542639375 /nfs/dbraw/zinc/63/93/75/542639375.db2.gz WCGDAOXCRGUMGW-STQMWFEESA-N 1 3 286.341 3.373 20 0 CGADHO C[C@@H](CC[NH3+])NCc1cccc(-c2ccccc2)c1 ZINC000414888353 542639523 /nfs/dbraw/zinc/63/95/23/542639523.db2.gz RHFATMXTNSRVGO-AWEZNQCLSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@@](Cc1ccccc1)(NCCC[NH3+])c1ccccc1 ZINC000415132082 542642532 /nfs/dbraw/zinc/64/25/32/542642532.db2.gz ABVMIFJHUCJJRH-SFHVURJKSA-N 1 3 268.404 3.083 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000090720254 392230061 /nfs/dbraw/zinc/23/00/61/392230061.db2.gz NUAZCMJXSXZXQE-WMLDXEAASA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720254 392230064 /nfs/dbraw/zinc/23/00/64/392230064.db2.gz NUAZCMJXSXZXQE-WMLDXEAASA-N 1 3 260.425 3.382 20 0 CGADHO C[NH+]1CCC(CCNCc2ccccc2Cl)CC1 ZINC000105454853 392289765 /nfs/dbraw/zinc/28/97/65/392289765.db2.gz OBQNXMDMSKLBKQ-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO CC[NH+]1CCC(NCc2ccc3[nH]c(C)cc3c2)CC1 ZINC000285810975 392334126 /nfs/dbraw/zinc/33/41/26/392334126.db2.gz WLLRXZLEHWFUJM-UHFFFAOYSA-N 1 3 271.408 3.050 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000245697912 131089162 /nfs/dbraw/zinc/08/91/62/131089162.db2.gz XCZZNUXFGRJASV-HYVNUMGLSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)[C@H]1c1ccccc1 ZINC000245697912 131089163 /nfs/dbraw/zinc/08/91/63/131089163.db2.gz XCZZNUXFGRJASV-HYVNUMGLSA-N 1 3 258.409 3.164 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376807 131121020 /nfs/dbraw/zinc/12/10/20/131121020.db2.gz LKYWXHUFCHKFAR-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376807 131121021 /nfs/dbraw/zinc/12/10/21/131121021.db2.gz LKYWXHUFCHKFAR-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376807 131121022 /nfs/dbraw/zinc/12/10/22/131121022.db2.gz LKYWXHUFCHKFAR-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640277 392608153 /nfs/dbraw/zinc/60/81/53/392608153.db2.gz HAGCZVDFBPOYSR-WQVCFCJDSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(F)c1 ZINC000166640277 392608156 /nfs/dbraw/zinc/60/81/56/392608156.db2.gz HAGCZVDFBPOYSR-WQVCFCJDSA-N 1 3 264.388 3.349 20 0 CGADHO Cc1cc(F)ccc1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157470021 392550501 /nfs/dbraw/zinc/55/05/01/392550501.db2.gz FFPUWKRVWMHHGD-MSOLQXFVSA-N 1 3 284.378 3.411 20 0 CGADHO COC1(CNC2CC(C)(C)[NH2+]C(C)(C)C2)CCCCC1 ZINC000319673069 392670641 /nfs/dbraw/zinc/67/06/41/392670641.db2.gz PNIPEYYIARXOSG-UHFFFAOYSA-N 1 3 282.472 3.235 20 0 CGADHO COC1(C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCCCC1 ZINC000319673069 392670648 /nfs/dbraw/zinc/67/06/48/392670648.db2.gz PNIPEYYIARXOSG-UHFFFAOYSA-N 1 3 282.472 3.235 20 0 CGADHO C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)CN1CCCCC1 ZINC000372697048 392627712 /nfs/dbraw/zinc/62/77/12/392627712.db2.gz WEEYFMDLJZSLAV-AOCRQIFASA-N 1 3 294.483 3.190 20 0 CGADHO CC[C@H]1CN(CC(C)(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498461 392742437 /nfs/dbraw/zinc/74/24/37/392742437.db2.gz HSUGFXSZWYBZTD-HOCLYGCPSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@H]1C[N@H+](CC(C)(C)c2ccccc2)CC[C@@H]1N ZINC000647498461 392742440 /nfs/dbraw/zinc/74/24/40/392742440.db2.gz HSUGFXSZWYBZTD-HOCLYGCPSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@@H]1N ZINC000647498461 392742442 /nfs/dbraw/zinc/74/24/42/392742442.db2.gz HSUGFXSZWYBZTD-HOCLYGCPSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1CN(CC(C)(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000647498459 392743089 /nfs/dbraw/zinc/74/30/89/392743089.db2.gz HSUGFXSZWYBZTD-GDBMZVCRSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CC[C@H]1N ZINC000647498459 392743095 /nfs/dbraw/zinc/74/30/95/392743095.db2.gz HSUGFXSZWYBZTD-GDBMZVCRSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CC[C@H]1N ZINC000647498459 392743099 /nfs/dbraw/zinc/74/30/99/392743099.db2.gz HSUGFXSZWYBZTD-GDBMZVCRSA-N 1 3 260.425 3.023 20 0 CGADHO Fc1cccc(F)c1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542925 392760511 /nfs/dbraw/zinc/76/05/11/392760511.db2.gz DTFGWZDHOSLBAX-KBPBESRZSA-N 1 3 294.389 3.176 20 0 CGADHO Clc1cccc2c1SCC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000335520266 392797775 /nfs/dbraw/zinc/79/77/75/392797775.db2.gz QGBQHSVRWSDKFX-AWEZNQCLSA-N 1 3 294.851 3.386 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000647803339 392805478 /nfs/dbraw/zinc/80/54/78/392805478.db2.gz VOJXIYWOMATBBY-KRWDZBQOSA-N 1 3 288.341 3.201 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1C ZINC000647881220 392822649 /nfs/dbraw/zinc/82/26/49/392822649.db2.gz VIILFGNLIMDDHC-RDJZCZTQSA-N 1 3 258.409 3.050 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2(C3CC3)CCC2)c2ccccc21 ZINC000391478823 392927949 /nfs/dbraw/zinc/92/79/49/392927949.db2.gz YALIIBQNPQBQLR-CVEARBPZSA-N 1 3 256.393 3.301 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCO[C@H](CC)C1 ZINC000648400421 393000057 /nfs/dbraw/zinc/00/00/57/393000057.db2.gz BOXYXCJYVPAMKR-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648400421 393000061 /nfs/dbraw/zinc/00/00/61/393000061.db2.gz BOXYXCJYVPAMKR-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000415004281 393089623 /nfs/dbraw/zinc/08/96/23/393089623.db2.gz HKPYVESQIXFASU-MNOVXSKESA-N 1 3 278.396 3.380 20 0 CGADHO COc1cc(Cl)c(CN[C@H](C)CCC[NH3+])cc1Cl ZINC000415016200 393098230 /nfs/dbraw/zinc/09/82/30/393098230.db2.gz BUYNZTXZTOWKQQ-SECBINFHSA-N 1 3 291.222 3.219 20 0 CGADHO CC[C@@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)CCO1 ZINC000648470635 393041783 /nfs/dbraw/zinc/04/17/83/393041783.db2.gz MQKXVLDUQLOQOG-JKSUJKDBSA-N 1 3 270.461 3.043 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000414918619 393058609 /nfs/dbraw/zinc/05/86/09/393058609.db2.gz SLGWTXCRXGDYBO-JYJNAYRXSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC000414971484 393072855 /nfs/dbraw/zinc/07/28/55/393072855.db2.gz LJLUMGJAXNNDMZ-INIZCTEOSA-N 1 3 274.452 3.462 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000415049692 393112534 /nfs/dbraw/zinc/11/25/34/393112534.db2.gz XUNRYNTYBAMWLS-BXKDBHETSA-N 1 3 290.304 3.062 20 0 CGADHO CCc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415055851 393118244 /nfs/dbraw/zinc/11/82/44/393118244.db2.gz RKUKDZMSCARXRP-ZWKOTPCHSA-N 1 3 272.436 3.213 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1csc(-c2ccc(F)cc2)n1 ZINC000415059431 393120057 /nfs/dbraw/zinc/12/00/57/393120057.db2.gz JEMMKHCKLXDZBV-NSHDSACASA-N 1 3 293.411 3.166 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1ccccc1Cl ZINC000415081879 393136090 /nfs/dbraw/zinc/13/60/90/393136090.db2.gz CNZGSLGVWAGIAQ-TZMCWYRMSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583698 393140464 /nfs/dbraw/zinc/14/04/64/393140464.db2.gz RVUXLJKJTAGACR-HIFRSBDPSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583698 393140469 /nfs/dbraw/zinc/14/04/69/393140469.db2.gz RVUXLJKJTAGACR-HIFRSBDPSA-N 1 3 252.446 3.262 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000470256904 393235307 /nfs/dbraw/zinc/23/53/07/393235307.db2.gz INAQTIPNIUTHNM-DOTOQJQBSA-N 1 3 290.451 3.164 20 0 CGADHO CC[N@H+]1CC[C@@H](NCC(C)(C)Oc2ccccc2)[C@@H](C)C1 ZINC000470256904 393235312 /nfs/dbraw/zinc/23/53/12/393235312.db2.gz INAQTIPNIUTHNM-DOTOQJQBSA-N 1 3 290.451 3.164 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000470300760 393237954 /nfs/dbraw/zinc/23/79/54/393237954.db2.gz XFBBTINLTBVXPU-MOPGFXCFSA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000470300760 393237959 /nfs/dbraw/zinc/23/79/59/393237959.db2.gz XFBBTINLTBVXPU-MOPGFXCFSA-N 1 3 286.463 3.379 20 0 CGADHO CC1CCC(C)(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000355412055 393311237 /nfs/dbraw/zinc/31/12/37/393311237.db2.gz APWQVXXLLCVQNZ-JCCCHCCOSA-N 1 3 264.457 3.419 20 0 CGADHO CSC1(CNCCC[NH+](C(C)C)C(C)C)CCC1 ZINC000356192781 393377217 /nfs/dbraw/zinc/37/72/17/393377217.db2.gz LKJUMYNQYCLADX-UHFFFAOYSA-N 1 3 272.502 3.371 20 0 CGADHO CCc1ccccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420383607 393480988 /nfs/dbraw/zinc/48/09/88/393480988.db2.gz DLAOGNCEQWPQGA-FUHWJXTLSA-N 1 3 272.436 3.213 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425916673 393445337 /nfs/dbraw/zinc/44/53/37/393445337.db2.gz FZCRBAVEZKPQCI-YOEHRIQHSA-N 1 3 280.431 3.180 20 0 CGADHO CC[C@](C)(NCC[C@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000420309290 393459530 /nfs/dbraw/zinc/45/95/30/393459530.db2.gz DWBGGCUIVVOFLS-HIFRSBDPSA-N 1 3 281.469 3.056 20 0 CGADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1Cl ZINC000420414708 393486453 /nfs/dbraw/zinc/48/64/53/393486453.db2.gz USYHBBKYYXEGIT-QWRGUYRKSA-N 1 3 270.779 3.129 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN[C@H](C)c2ccccc2)cc1 ZINC000420421784 393486624 /nfs/dbraw/zinc/48/66/24/393486624.db2.gz YTJZVTUCNKBXSV-PBHICJAKSA-N 1 3 284.403 3.088 20 0 CGADHO COc1ccc([C@@H](CN)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000420421784 393486629 /nfs/dbraw/zinc/48/66/29/393486629.db2.gz YTJZVTUCNKBXSV-PBHICJAKSA-N 1 3 284.403 3.088 20 0 CGADHO C[C@@H]1C[C@H]1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000488408818 393502189 /nfs/dbraw/zinc/50/21/89/393502189.db2.gz IDHNZSKGETWSCG-HIFRSBDPSA-N 1 3 278.465 3.206 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663145 393531748 /nfs/dbraw/zinc/53/17/48/393531748.db2.gz ZEMVDFAKXPMUBO-ZWKOTPCHSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663145 393531751 /nfs/dbraw/zinc/53/17/51/393531751.db2.gz ZEMVDFAKXPMUBO-ZWKOTPCHSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000623657277 542780635 /nfs/dbraw/zinc/78/06/35/542780635.db2.gz MQJNDRZMAITAHE-CQSZACIVSA-N 1 3 282.378 3.446 20 0 CGADHO C[C@@H](NCc1ccccc1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000666774163 542814264 /nfs/dbraw/zinc/81/42/64/542814264.db2.gz JDFDTLDHKDXPAF-UKRRQHHQSA-N 1 3 258.409 3.042 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000360838945 393595977 /nfs/dbraw/zinc/59/59/77/393595977.db2.gz FKBZGBJFDVYVAI-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000360838945 393595979 /nfs/dbraw/zinc/59/59/79/393595979.db2.gz FKBZGBJFDVYVAI-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090766 393632112 /nfs/dbraw/zinc/63/21/12/393632112.db2.gz OHCQVQSVLFXEEO-HIFRSBDPSA-N 1 3 296.405 3.312 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000490090766 393632116 /nfs/dbraw/zinc/63/21/16/393632116.db2.gz OHCQVQSVLFXEEO-HIFRSBDPSA-N 1 3 296.405 3.312 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CCC3(CC[NH2+]3)CC2)C1 ZINC000422559976 393641154 /nfs/dbraw/zinc/64/11/54/393641154.db2.gz FLWSQYOTXXOZPH-ROUUACIJSA-N 1 3 284.447 3.325 20 0 CGADHO C(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000422846388 393644679 /nfs/dbraw/zinc/64/46/79/393644679.db2.gz PTBRAVFWOVYTQO-RCCFBDPRSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCC(C)(C)c2ccccc21)C1CNC1 ZINC000423015852 393647382 /nfs/dbraw/zinc/64/73/82/393647382.db2.gz LLYAOKPSAPSBEI-UONOGXRCSA-N 1 3 272.436 3.039 20 0 CGADHO C[C@H](NC[C@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000423015852 393647393 /nfs/dbraw/zinc/64/73/93/393647393.db2.gz LLYAOKPSAPSBEI-UONOGXRCSA-N 1 3 272.436 3.039 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423041166 393649702 /nfs/dbraw/zinc/64/97/02/393649702.db2.gz WGZPLLSFPXTPOJ-FJJYHAOUSA-N 1 3 284.831 3.131 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC(F)(F)C2)c2ccccc21 ZINC000423106323 393651791 /nfs/dbraw/zinc/65/17/91/393651791.db2.gz ZQBKKZBMZFXYBW-LERXQTSPSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCCc2ccc(Br)cc21 ZINC000423226450 393655278 /nfs/dbraw/zinc/65/52/78/393655278.db2.gz QVLXCEWSJSEGNZ-HZMBPMFUSA-N 1 3 297.240 3.153 20 0 CGADHO CC[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(C)cc1 ZINC000423325212 393661396 /nfs/dbraw/zinc/66/13/96/393661396.db2.gz JFDBMNQJMVOURK-DLBZAZTESA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)c1ccc(C)cc1 ZINC000423325212 393661401 /nfs/dbraw/zinc/66/14/01/393661401.db2.gz JFDBMNQJMVOURK-DLBZAZTESA-N 1 3 260.425 3.425 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+]CC1(N)CCC1)CCS2 ZINC000423325133 393661492 /nfs/dbraw/zinc/66/14/92/393661492.db2.gz KWVVBIWOTJDGRV-CQSZACIVSA-N 1 3 276.449 3.311 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423343115 393661997 /nfs/dbraw/zinc/66/19/97/393661997.db2.gz ZEEANNHAWMNNJT-OAHLLOKOSA-N 1 3 258.409 3.270 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CCN1 ZINC000423372375 393664262 /nfs/dbraw/zinc/66/42/62/393664262.db2.gz GDMSMXHYBNLFPU-DZUCGIPZSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@H](c3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423372375 393664268 /nfs/dbraw/zinc/66/42/68/393664268.db2.gz GDMSMXHYBNLFPU-DZUCGIPZSA-N 1 3 272.436 3.299 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423457896 393668478 /nfs/dbraw/zinc/66/84/78/393668478.db2.gz GHZLUZHMXFIVNJ-JSGCOSHPSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423463134 393669402 /nfs/dbraw/zinc/66/94/02/393669402.db2.gz LCWWBRMOUHBCMZ-BHDSKKPTSA-N 1 3 297.240 3.152 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484162 393670452 /nfs/dbraw/zinc/67/04/52/393670452.db2.gz YIYZDJRPIJLUDX-BLLLJJGKSA-N 1 3 271.408 3.181 20 0 CGADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCNC ZINC000435872246 393715907 /nfs/dbraw/zinc/71/59/07/393715907.db2.gz XQEDSKKATMRWLK-DLBZAZTESA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCNC ZINC000435872246 393715910 /nfs/dbraw/zinc/71/59/10/393715910.db2.gz XQEDSKKATMRWLK-DLBZAZTESA-N 1 3 260.425 3.254 20 0 CGADHO Clc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666950951 542828482 /nfs/dbraw/zinc/82/84/82/542828482.db2.gz SPLCDYGOLCXCJD-ZDUSSCGKSA-N 1 3 285.218 3.225 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000449499044 393883145 /nfs/dbraw/zinc/88/31/45/393883145.db2.gz SNQUOEYDNVENFK-GFCCVEGCSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC2(F)F)CC1 ZINC000449499044 393883148 /nfs/dbraw/zinc/88/31/48/393883148.db2.gz SNQUOEYDNVENFK-GFCCVEGCSA-N 1 3 274.399 3.274 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCCCC1 ZINC000666993802 542832559 /nfs/dbraw/zinc/83/25/59/542832559.db2.gz KYSJFSCGDIADKP-DZGCQCFKSA-N 1 3 250.430 3.220 20 0 CGADHO COc1ccc([C@@H](C)C[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666996770 542833901 /nfs/dbraw/zinc/83/39/01/542833901.db2.gz FGTWSTVXRWFLFO-HOCLYGCPSA-N 1 3 288.435 3.063 20 0 CGADHO COc1ccc([C@@H](C)CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666996770 542833904 /nfs/dbraw/zinc/83/39/04/542833904.db2.gz FGTWSTVXRWFLFO-HOCLYGCPSA-N 1 3 288.435 3.063 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC2(CCC2)C1)Cc1ccccc1 ZINC000666995732 542834175 /nfs/dbraw/zinc/83/41/75/542834175.db2.gz XTTZUHIKIFWPLI-RDJZCZTQSA-N 1 3 272.436 3.130 20 0 CGADHO CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000453082689 394165101 /nfs/dbraw/zinc/16/51/01/394165101.db2.gz MEXAFIKCSJUOJE-JZXOWHBKSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453411371 394238075 /nfs/dbraw/zinc/23/80/75/394238075.db2.gz VLTPLWILXFDSQT-GFCCVEGCSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1cc(F)ccc1F ZINC000453411371 394238077 /nfs/dbraw/zinc/23/80/77/394238077.db2.gz VLTPLWILXFDSQT-GFCCVEGCSA-N 1 3 282.378 3.490 20 0 CGADHO C[N@H+](CCCCNCc1csc(C(C)(C)C)n1)C1CC1 ZINC000453603304 394255359 /nfs/dbraw/zinc/25/53/59/394255359.db2.gz XHCPVUNWTPIOCN-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO C[N@@H+](CCCCNCc1csc(C(C)(C)C)n1)C1CC1 ZINC000453603304 394255361 /nfs/dbraw/zinc/25/53/61/394255361.db2.gz XHCPVUNWTPIOCN-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO COCc1csc(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000667543838 542887035 /nfs/dbraw/zinc/88/70/35/542887035.db2.gz MYCWNGJCHWGDBY-UHFFFAOYSA-N 1 3 296.480 3.058 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784533 543061718 /nfs/dbraw/zinc/06/17/18/543061718.db2.gz DXUOQMYLNFELIF-RCCFBDPRSA-N 1 3 294.483 3.021 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265172 543148007 /nfs/dbraw/zinc/14/80/07/543148007.db2.gz VMOIYDWSDLTOPL-HOCLYGCPSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1)C(C)(C)C ZINC000670265172 543148009 /nfs/dbraw/zinc/14/80/09/543148009.db2.gz VMOIYDWSDLTOPL-HOCLYGCPSA-N 1 3 266.473 3.332 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C\c1ccccc1)C2 ZINC000671724935 543181170 /nfs/dbraw/zinc/18/11/70/543181170.db2.gz RTYJYMPOEBCIQY-WXZRCZBMSA-N 1 3 270.420 3.257 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C\c1ccccc1)C2 ZINC000671724935 543181171 /nfs/dbraw/zinc/18/11/71/543181171.db2.gz RTYJYMPOEBCIQY-WXZRCZBMSA-N 1 3 270.420 3.257 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000671744499 543184604 /nfs/dbraw/zinc/18/46/04/543184604.db2.gz CVMGAJYEJVGBHM-IRXDYDNUSA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000552046097 289154529 /nfs/dbraw/zinc/15/45/29/289154529.db2.gz YDIRAPTVEUPOAU-DLBZAZTESA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@H](NCCC1(C[NH3+])CC1)c1cc(F)ccc1F ZINC000650744498 397905664 /nfs/dbraw/zinc/90/56/64/397905664.db2.gz OQWYUYIBVNYGQY-AWEZNQCLSA-N 1 3 268.351 3.135 20 0 CGADHO CCC[C@H](NCc1ccccc1C[NH2+]C)c1cccnc1 ZINC000650756471 397909823 /nfs/dbraw/zinc/90/98/23/397909823.db2.gz BMPKGGLWYWSYLU-SFHVURJKSA-N 1 3 283.419 3.432 20 0 CGADHO COC[C@@H](NCCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000650763104 397912672 /nfs/dbraw/zinc/91/26/72/397912672.db2.gz RCDCTRPOUKKKIX-MRXNPFEDSA-N 1 3 296.842 3.007 20 0 CGADHO CCc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677242391 543441420 /nfs/dbraw/zinc/44/14/20/543441420.db2.gz ZUOBAUDDJLZMNX-ROUUACIJSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677242391 543441421 /nfs/dbraw/zinc/44/14/21/543441421.db2.gz ZUOBAUDDJLZMNX-ROUUACIJSA-N 1 3 272.436 3.008 20 0 CGADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1ccc(Cl)cc1 ZINC000422792235 286014862 /nfs/dbraw/zinc/01/48/62/286014862.db2.gz VUMINMQKRRLBQF-UHOFOFEASA-N 1 3 296.842 3.005 20 0 CGADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)[C@H](C)C(C)C ZINC000678217784 543495304 /nfs/dbraw/zinc/49/53/04/543495304.db2.gz NBJHVCOFGUNKOD-MRXNPFEDSA-N 1 3 292.467 3.493 20 0 CGADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)[C@H](C)C(C)C ZINC000678217784 543495307 /nfs/dbraw/zinc/49/53/07/543495307.db2.gz NBJHVCOFGUNKOD-MRXNPFEDSA-N 1 3 292.467 3.493 20 0 CGADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)C1CCC1 ZINC000678273249 543507891 /nfs/dbraw/zinc/50/78/91/543507891.db2.gz LSQYSHHLYXZMDR-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C1CCC1 ZINC000678273249 543507893 /nfs/dbraw/zinc/50/78/93/543507893.db2.gz LSQYSHHLYXZMDR-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000415089580 296613867 /nfs/dbraw/zinc/61/38/67/296613867.db2.gz YYHSHZWAYHOJFU-FUHWJXTLSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](N[C@H]1COc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000678598509 543540748 /nfs/dbraw/zinc/54/07/48/543540748.db2.gz QIMIHXRKQGYTCK-NHYWBVRUSA-N 1 3 294.826 3.093 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCN1CCCC1 ZINC000678766969 543553933 /nfs/dbraw/zinc/55/39/33/543553933.db2.gz SITDMCMGJFBRMS-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1NCCC[NH+]1CCCC1 ZINC000678766969 543553936 /nfs/dbraw/zinc/55/39/36/543553936.db2.gz SITDMCMGJFBRMS-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO Cc1ccc([C@@H]([NH2+]CC2=CCN(C)CC2)C2CC2)cc1 ZINC000271839476 292204489 /nfs/dbraw/zinc/20/44/89/292204489.db2.gz GPXRSUGQKIKLKP-GOSISDBHSA-N 1 3 270.420 3.298 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)CC(C)(C)c1ccccc1 ZINC000678815562 543561730 /nfs/dbraw/zinc/56/17/30/543561730.db2.gz HKKCZENTRKRWEZ-MRXNPFEDSA-N 1 3 274.452 3.238 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)CC(C)(C)c1ccccc1 ZINC000678815562 543561731 /nfs/dbraw/zinc/56/17/31/543561731.db2.gz HKKCZENTRKRWEZ-MRXNPFEDSA-N 1 3 274.452 3.238 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000554072812 289255147 /nfs/dbraw/zinc/25/51/47/289255147.db2.gz UGPMZYLIPYFTSP-GBJTYRQASA-N 1 3 252.446 3.274 20 0 CGADHO CCO[C@H](CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000422803064 286446166 /nfs/dbraw/zinc/44/61/66/286446166.db2.gz CJMQHLUIODZNFR-YESZJQIVSA-N 1 3 284.488 3.338 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423465518 298399494 /nfs/dbraw/zinc/39/94/94/298399494.db2.gz WOEJHGQVKLYSEH-MNOVXSKESA-N 1 3 294.830 3.005 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@H]1CCCNC1 ZINC000415081355 287066790 /nfs/dbraw/zinc/06/67/90/287066790.db2.gz KJONVXXUZJXOOM-KBXIAJHMSA-N 1 3 252.446 3.179 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCCC2)C12CCCCC2 ZINC000087295304 165187474 /nfs/dbraw/zinc/18/74/74/165187474.db2.gz QCCXMRGSBWSWBD-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000089146130 165200000 /nfs/dbraw/zinc/20/00/00/165200000.db2.gz RMULWEORUXWTFS-FZMZJTMJSA-N 1 3 270.779 3.086 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000090586090 287102949 /nfs/dbraw/zinc/10/29/49/287102949.db2.gz WTSSXGUCNCBEAR-JYJNAYRXSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@H](c1ccccc1Cl)N(C)CC[C@@H]1CC[NH2+]C1 ZINC000089749432 165214123 /nfs/dbraw/zinc/21/41/23/165214123.db2.gz OIAHMAFEDFWVRR-OLZOCXBDSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H]([NH2+]CC1(C)CCC1)c1cccc(OCCN(C)C)c1 ZINC000090220014 165231737 /nfs/dbraw/zinc/23/17/37/165231737.db2.gz OVNRYOODPFJSCO-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO CCCOc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253767 165286587 /nfs/dbraw/zinc/28/65/87/165286587.db2.gz WDHHYLQKMHFLQO-QGZVFWFLSA-N 1 3 290.451 3.249 20 0 CGADHO CCCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253767 165286591 /nfs/dbraw/zinc/28/65/91/165286591.db2.gz WDHHYLQKMHFLQO-QGZVFWFLSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000093210125 165325545 /nfs/dbraw/zinc/32/55/45/165325545.db2.gz CNEOCOJWHVMMIL-LEWSCRJBSA-N 1 3 252.789 3.261 20 0 CGADHO CC(C)SCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261591675 165820393 /nfs/dbraw/zinc/82/03/93/165820393.db2.gz XZJJZYMYJPPCPC-RBSFLKMASA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000020188941 171054364 /nfs/dbraw/zinc/05/43/64/171054364.db2.gz PAWAKRALXCUFJA-UHFFFAOYSA-N 1 3 298.377 3.250 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502269369 287268390 /nfs/dbraw/zinc/26/83/90/287268390.db2.gz OAQRSLKBGPXSCC-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000246900733 287268664 /nfs/dbraw/zinc/26/86/64/287268664.db2.gz LKAMFEHDMJCDOT-VQHPVUNQSA-N 1 3 294.483 3.044 20 0 CGADHO Fc1ccc(/C=C/C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1F ZINC000285416736 196279040 /nfs/dbraw/zinc/27/90/40/196279040.db2.gz JJBKWCIVALQILI-MULDZMIYSA-N 1 3 292.373 3.194 20 0 CGADHO Fc1ccc(/C=C/C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1F ZINC000285416742 196279276 /nfs/dbraw/zinc/27/92/76/196279276.db2.gz JJBKWCIVALQILI-RYTMFUSVSA-N 1 3 292.373 3.194 20 0 CGADHO CC(C)Cc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038040970 174040734 /nfs/dbraw/zinc/04/07/34/174040734.db2.gz XZSLVKJWPQDELR-CQSZACIVSA-N 1 3 260.425 3.288 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc(C(C)(C)C)cc1 ZINC000038040903 174041067 /nfs/dbraw/zinc/04/10/67/174041067.db2.gz NOOYTCMOKRKHMA-CYBMUJFWSA-N 1 3 260.425 3.387 20 0 CGADHO CCN1CC[C@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043533978 175062743 /nfs/dbraw/zinc/06/27/43/175062743.db2.gz ANUWTPZFQAGCAC-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000128621827 287315034 /nfs/dbraw/zinc/31/50/34/287315034.db2.gz OCQYMRAXFZILHU-KRWDZBQOSA-N 1 3 276.399 3.279 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000129443248 287331830 /nfs/dbraw/zinc/33/18/30/287331830.db2.gz BYIJDFYPBRGJGN-HZSPNIEDSA-N 1 3 292.389 3.429 20 0 CGADHO CCC1CCC([N@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC000226436547 416522024 /nfs/dbraw/zinc/52/20/24/416522024.db2.gz WMEGXGOJVAPGKP-PCKAHOCUSA-N 1 3 264.457 3.419 20 0 CGADHO CCC1CCC([N@@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC000226436547 416522028 /nfs/dbraw/zinc/52/20/28/416522028.db2.gz WMEGXGOJVAPGKP-PCKAHOCUSA-N 1 3 264.457 3.419 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000312778255 416533610 /nfs/dbraw/zinc/53/36/10/416533610.db2.gz AFSFKCSQZOWSNN-SZMVWBNQSA-N 1 3 270.420 3.125 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+]([C@H]1CCCc3ccccc31)C2 ZINC000312778255 416533612 /nfs/dbraw/zinc/53/36/12/416533612.db2.gz AFSFKCSQZOWSNN-SZMVWBNQSA-N 1 3 270.420 3.125 20 0 CGADHO CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000314386070 416537244 /nfs/dbraw/zinc/53/72/44/416537244.db2.gz SBLFRYDPXQTZNJ-WMZOPIPTSA-N 1 3 288.435 3.035 20 0 CGADHO CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000314386070 416537247 /nfs/dbraw/zinc/53/72/47/416537247.db2.gz SBLFRYDPXQTZNJ-WMZOPIPTSA-N 1 3 288.435 3.035 20 0 CGADHO CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000314386070 416537252 /nfs/dbraw/zinc/53/72/52/416537252.db2.gz SBLFRYDPXQTZNJ-WMZOPIPTSA-N 1 3 288.435 3.035 20 0 CGADHO CC[NH2+]CC1CCN(CCOc2cc(C)cc(C)c2)CC1 ZINC000129987641 416514443 /nfs/dbraw/zinc/51/44/43/416514443.db2.gz OGGAANLZTQLEJU-UHFFFAOYSA-N 1 3 290.451 3.004 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000679092687 543591126 /nfs/dbraw/zinc/59/11/26/543591126.db2.gz QYKQRLATOWLXRN-CRAIPNDOSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000679092687 543591128 /nfs/dbraw/zinc/59/11/28/543591128.db2.gz QYKQRLATOWLXRN-CRAIPNDOSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC3CSC3)cc2)C1 ZINC000679625287 543650827 /nfs/dbraw/zinc/65/08/27/543650827.db2.gz QJWNTBWIZFPDDP-AWEZNQCLSA-N 1 3 290.476 3.124 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC3CSC3)cc2)C1 ZINC000679625287 543650831 /nfs/dbraw/zinc/65/08/31/543650831.db2.gz QJWNTBWIZFPDDP-AWEZNQCLSA-N 1 3 290.476 3.124 20 0 CGADHO Cc1cc(C)cc([C@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000130251604 287349139 /nfs/dbraw/zinc/34/91/39/287349139.db2.gz CUCLOFQYFOSMCA-INIZCTEOSA-N 1 3 260.425 3.440 20 0 CGADHO C[C@H]([NH2+]CCCOC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000680401015 543708434 /nfs/dbraw/zinc/70/84/34/543708434.db2.gz ANUKUVAQHXQANC-HOTGVXAUSA-N 1 3 296.499 3.434 20 0 CGADHO FC(F)C1CC(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000684799535 544031174 /nfs/dbraw/zinc/03/11/74/544031174.db2.gz MFUMRUCGHPVFIK-PIMMBPRGSA-N 1 3 286.410 3.417 20 0 CGADHO FC(F)C1CC(NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684799535 544031176 /nfs/dbraw/zinc/03/11/76/544031176.db2.gz MFUMRUCGHPVFIK-PIMMBPRGSA-N 1 3 286.410 3.417 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470770 544076519 /nfs/dbraw/zinc/07/65/19/544076519.db2.gz QNAXHBFDRQXUFX-YOEHRIQHSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470770 544076522 /nfs/dbraw/zinc/07/65/22/544076522.db2.gz QNAXHBFDRQXUFX-YOEHRIQHSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470770 544076524 /nfs/dbraw/zinc/07/65/24/544076524.db2.gz QNAXHBFDRQXUFX-YOEHRIQHSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470770 544076526 /nfs/dbraw/zinc/07/65/26/544076526.db2.gz QNAXHBFDRQXUFX-YOEHRIQHSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470767 544077032 /nfs/dbraw/zinc/07/70/32/544077032.db2.gz QNAXHBFDRQXUFX-WMLDXEAASA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470767 544077033 /nfs/dbraw/zinc/07/70/33/544077033.db2.gz QNAXHBFDRQXUFX-WMLDXEAASA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470767 544077036 /nfs/dbraw/zinc/07/70/36/544077036.db2.gz QNAXHBFDRQXUFX-WMLDXEAASA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470767 544077038 /nfs/dbraw/zinc/07/70/38/544077038.db2.gz QNAXHBFDRQXUFX-WMLDXEAASA-N 1 3 284.403 3.349 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740928 418935962 /nfs/dbraw/zinc/93/59/62/418935962.db2.gz UQVAZLOFZUPHKO-WMLDXEAASA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740928 418935965 /nfs/dbraw/zinc/93/59/65/418935965.db2.gz UQVAZLOFZUPHKO-WMLDXEAASA-N 1 3 290.426 3.225 20 0 CGADHO Cc1ccc([C@H](C)NCC2CC[NH+](CC3CC3)CC2)o1 ZINC000658358841 418949515 /nfs/dbraw/zinc/94/95/15/418949515.db2.gz ZDHIQHUABQVWGA-AWEZNQCLSA-N 1 3 276.424 3.361 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929249 419035887 /nfs/dbraw/zinc/03/58/87/419035887.db2.gz YHBUGMUITMGLLA-INIZCTEOSA-N 1 3 274.452 3.368 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929249 419035890 /nfs/dbraw/zinc/03/58/90/419035890.db2.gz YHBUGMUITMGLLA-INIZCTEOSA-N 1 3 274.452 3.368 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)CC2 ZINC000655769829 419091480 /nfs/dbraw/zinc/09/14/80/419091480.db2.gz PMCACXMODLLNHY-CZUORRHYSA-N 1 3 260.425 3.078 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@@H](C)C[NH+](C)C)CC2 ZINC000655769829 419091482 /nfs/dbraw/zinc/09/14/82/419091482.db2.gz PMCACXMODLLNHY-CZUORRHYSA-N 1 3 260.425 3.078 20 0 CGADHO Cc1ccc(C[C@H](NCC2([NH3+])CCCC2)C2CC2)cc1 ZINC000665248427 419092773 /nfs/dbraw/zinc/09/27/73/419092773.db2.gz WVGSLVKVMBETIH-KRWDZBQOSA-N 1 3 272.436 3.177 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1(F)F ZINC000665267603 419096911 /nfs/dbraw/zinc/09/69/11/419096911.db2.gz ZLDLTDVELRICLI-TUVASFSCSA-N 1 3 286.410 3.322 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275616 419099257 /nfs/dbraw/zinc/09/92/57/419099257.db2.gz NWTPDVFASDAMOT-WNRNVDISSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1Cl ZINC000655805281 419100992 /nfs/dbraw/zinc/10/09/92/419100992.db2.gz FNHVWUYSFWTCRT-GMXVVIOVSA-N 1 3 284.806 3.470 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283504 419103200 /nfs/dbraw/zinc/10/32/00/419103200.db2.gz OYYQWYSJIGEQBO-LYAPFXNSSA-N 1 3 264.457 3.323 20 0 CGADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000665298198 419110721 /nfs/dbraw/zinc/11/07/21/419110721.db2.gz TYKBKWHLLWILSI-JGGQBBKZSA-N 1 3 280.843 3.249 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](N[C@@H](C)CC[NH+](C)C)CC2 ZINC000655703444 419070735 /nfs/dbraw/zinc/07/07/35/419070735.db2.gz QKSVJJAAYCQQTI-HOCLYGCPSA-N 1 3 260.425 3.221 20 0 CGADHO CO[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000660542539 419159066 /nfs/dbraw/zinc/15/90/66/419159066.db2.gz SZGRNTOFKAPXJT-UJJTZGENSA-N 1 3 294.483 3.139 20 0 CGADHO CO[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000660542539 419159068 /nfs/dbraw/zinc/15/90/68/419159068.db2.gz SZGRNTOFKAPXJT-UJJTZGENSA-N 1 3 294.483 3.139 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c(C)s1 ZINC000660653825 419177403 /nfs/dbraw/zinc/17/74/03/419177403.db2.gz BKPPWUUXVIUGHQ-MRXNPFEDSA-N 1 3 278.465 3.283 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c(C)s1 ZINC000660653825 419177405 /nfs/dbraw/zinc/17/74/05/419177405.db2.gz BKPPWUUXVIUGHQ-MRXNPFEDSA-N 1 3 278.465 3.283 20 0 CGADHO C[NH+](C)CCOc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000656622930 419186446 /nfs/dbraw/zinc/18/64/46/419186446.db2.gz HYZVEDIRZQIMKL-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172168 419194526 /nfs/dbraw/zinc/19/45/26/419194526.db2.gz NBAJDFZQDDFNOY-YVEFUNNKSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172168 419194528 /nfs/dbraw/zinc/19/45/28/419194528.db2.gz NBAJDFZQDDFNOY-YVEFUNNKSA-N 1 3 294.389 3.274 20 0 CGADHO Cc1ccc2cc(C[NH2+]CCCN3CCCCC3)[nH]c2c1 ZINC000657295324 419245055 /nfs/dbraw/zinc/24/50/55/419245055.db2.gz AORVBMSERRMIHE-UHFFFAOYSA-N 1 3 285.435 3.442 20 0 CGADHO CC[C@H]1C[C@@H](NCc2ccccc2C[NH+](CC)CC)CO1 ZINC000657298995 419245577 /nfs/dbraw/zinc/24/55/77/419245577.db2.gz ZAFWFFRTJKRGRE-MSOLQXFVSA-N 1 3 290.451 3.186 20 0 CGADHO Fc1ccc(F)c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786628 419219642 /nfs/dbraw/zinc/21/96/42/419219642.db2.gz VDEGLPKEAQEQCL-CQSZACIVSA-N 1 3 294.389 3.176 20 0 CGADHO CCC[C@@H](Cc1ccccc1)NCC1([NH3+])CCCC1 ZINC000656789527 419220597 /nfs/dbraw/zinc/22/05/97/419220597.db2.gz PQOSBNRCYZRFJK-INIZCTEOSA-N 1 3 260.425 3.259 20 0 CGADHO Cc1ccc([C@H]2CCC[C@@H]2NCC2([NH3+])CCCC2)cc1 ZINC000656789148 419221105 /nfs/dbraw/zinc/22/11/05/419221105.db2.gz KQWMVGXLTYFZCS-SJORKVTESA-N 1 3 272.436 3.492 20 0 CGADHO C[C@@H]1CCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612596 419313606 /nfs/dbraw/zinc/31/36/06/419313606.db2.gz AUDQHUNDLHAIMX-CRAIPNDOSA-N 1 3 287.451 3.072 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662198918 419358183 /nfs/dbraw/zinc/35/81/83/419358183.db2.gz XNPKSPJLCQPFMZ-DLBZAZTESA-N 1 3 272.436 3.133 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662198918 419358188 /nfs/dbraw/zinc/35/81/88/419358188.db2.gz XNPKSPJLCQPFMZ-DLBZAZTESA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198918 419358193 /nfs/dbraw/zinc/35/81/93/419358193.db2.gz XNPKSPJLCQPFMZ-DLBZAZTESA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198918 419358198 /nfs/dbraw/zinc/35/81/98/419358198.db2.gz XNPKSPJLCQPFMZ-DLBZAZTESA-N 1 3 272.436 3.133 20 0 CGADHO CCCN(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000662312585 419389728 /nfs/dbraw/zinc/38/97/28/419389728.db2.gz IKTGUMUXJBPJJD-AWEZNQCLSA-N 1 3 264.388 3.037 20 0 CGADHO Fc1cccc(CNCC2CC[NH+](CC3CC3)CC2)c1F ZINC000657813228 419366402 /nfs/dbraw/zinc/36/64/02/419366402.db2.gz LATNLNDWAYPSHP-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662238745 419368425 /nfs/dbraw/zinc/36/84/25/419368425.db2.gz VIDFAPAUQYZERV-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662238745 419368430 /nfs/dbraw/zinc/36/84/30/419368430.db2.gz VIDFAPAUQYZERV-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO CO[C@H](CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265537 419375754 /nfs/dbraw/zinc/37/57/54/419375754.db2.gz QRSDKRSQIAOTNP-OKZBNKHCSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H]2CCCCC2(C)C)CC[C@H]1N ZINC000662271268 419378955 /nfs/dbraw/zinc/37/89/55/419378955.db2.gz UTHCSDDIPUXNNH-RBSFLKMASA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@H]1N ZINC000662271268 419378959 /nfs/dbraw/zinc/37/89/59/419378959.db2.gz UTHCSDDIPUXNNH-RBSFLKMASA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657838631 419380395 /nfs/dbraw/zinc/38/03/95/419380395.db2.gz DIEMGJLFZMXZLR-XHSDSOJGSA-N 1 3 284.513 3.230 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCSc1cccc(Cl)c1 ZINC000662276213 419383209 /nfs/dbraw/zinc/38/32/09/419383209.db2.gz HBCUWRMXXGLEQV-AWEZNQCLSA-N 1 3 298.883 3.410 20 0 CGADHO COc1ccc(CNCC[C@@H]([NH3+])C(C)C)c2ccccc12 ZINC000663497564 419634906 /nfs/dbraw/zinc/63/49/06/419634906.db2.gz BYMAKIXQNOOTOK-QGZVFWFLSA-N 1 3 286.419 3.311 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CCc1ccccc1F ZINC000663502675 419635239 /nfs/dbraw/zinc/63/52/39/419635239.db2.gz JUNRLTWVCDROIU-CZUORRHYSA-N 1 3 266.404 3.110 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCc1ccccc1F ZINC000663502675 419635254 /nfs/dbraw/zinc/63/52/54/419635254.db2.gz JUNRLTWVCDROIU-CZUORRHYSA-N 1 3 266.404 3.110 20 0 CGADHO CCCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167204 419636306 /nfs/dbraw/zinc/63/63/06/419636306.db2.gz MZXQPCBDZWEDDV-MRXNPFEDSA-N 1 3 289.467 3.462 20 0 CGADHO C[NH2+]C[C@@H](C)NCCCCc1cccc(C(F)(F)F)c1 ZINC000663515039 419639713 /nfs/dbraw/zinc/63/97/13/419639713.db2.gz YPIRNALQZFZKPC-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000663503347 419639754 /nfs/dbraw/zinc/63/97/54/419639754.db2.gz POFKQSVADIKSOM-XJKSGUPXSA-N 1 3 266.404 3.110 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CCc1ccc(F)cc1 ZINC000663503347 419639761 /nfs/dbraw/zinc/63/97/61/419639761.db2.gz POFKQSVADIKSOM-XJKSGUPXSA-N 1 3 266.404 3.110 20 0 CGADHO C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663466056 419615619 /nfs/dbraw/zinc/61/56/19/419615619.db2.gz NORSTSBFSWZJOZ-IRXDYDNUSA-N 1 3 276.468 3.421 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCSCC1 ZINC000663464679 419615976 /nfs/dbraw/zinc/61/59/76/419615976.db2.gz FYKLFNCLQSBQTM-HOCLYGCPSA-N 1 3 296.524 3.230 20 0 CGADHO C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663465574 419617333 /nfs/dbraw/zinc/61/73/33/419617333.db2.gz KQFUKYDNRWPECK-BPQIPLTHSA-N 1 3 276.468 3.277 20 0 CGADHO CCC[C@@H](CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164833 419629819 /nfs/dbraw/zinc/62/98/19/419629819.db2.gz FVBFGZQHXXEBMC-GOSISDBHSA-N 1 3 289.467 3.462 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000658205777 419657984 /nfs/dbraw/zinc/65/79/84/419657984.db2.gz JORRQDCZXHWCKB-OFQRWUPVSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)CN1CCCCC1 ZINC000225631298 287632949 /nfs/dbraw/zinc/63/29/49/287632949.db2.gz PPUOWDBTQKWQPY-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000390557710 262217507 /nfs/dbraw/zinc/21/75/07/262217507.db2.gz LUTBAPGXLGSVKA-KBUPBQIOSA-N 1 3 286.410 3.322 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390586581 262223539 /nfs/dbraw/zinc/22/35/39/262223539.db2.gz NJNDVCSFRVRXKP-ROUUACIJSA-N 1 3 290.451 3.091 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNc2ccnc3ccccc32)C1 ZINC000041721106 270031148 /nfs/dbraw/zinc/03/11/48/270031148.db2.gz YYLFINOTFBDIQM-CQSZACIVSA-N 1 3 269.392 3.377 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNc2ccnc3ccccc32)C1 ZINC000041721106 270031149 /nfs/dbraw/zinc/03/11/49/270031149.db2.gz YYLFINOTFBDIQM-CQSZACIVSA-N 1 3 269.392 3.377 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533764 270036161 /nfs/dbraw/zinc/03/61/61/270036161.db2.gz XVYCUXYWEMFAND-CHWSQXEVSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533764 270036163 /nfs/dbraw/zinc/03/61/63/270036163.db2.gz XVYCUXYWEMFAND-CHWSQXEVSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000186254082 270065465 /nfs/dbraw/zinc/06/54/65/270065465.db2.gz ZYPHJHAULBLNAN-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO c1ccc(CCCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000187072576 270067956 /nfs/dbraw/zinc/06/79/56/270067956.db2.gz SJXUGWXSZZQCCM-LJQANCHMSA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCCC[N@@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000187072576 270067957 /nfs/dbraw/zinc/06/79/57/270067957.db2.gz SJXUGWXSZZQCCM-LJQANCHMSA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCCC[N@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000187072576 270067958 /nfs/dbraw/zinc/06/79/58/270067958.db2.gz SJXUGWXSZZQCCM-LJQANCHMSA-N 1 3 286.463 3.427 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C1 ZINC000519779946 265590932 /nfs/dbraw/zinc/59/09/32/265590932.db2.gz SOPQQHRDJNEXBW-ZIAGYGMSSA-N 1 3 282.378 3.147 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000223360761 270086552 /nfs/dbraw/zinc/08/65/52/270086552.db2.gz KJSXBCAFCRXKFJ-ZOBUZTSGSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000223360761 270086553 /nfs/dbraw/zinc/08/65/53/270086553.db2.gz KJSXBCAFCRXKFJ-ZOBUZTSGSA-N 1 3 260.425 3.437 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305168347 270092417 /nfs/dbraw/zinc/09/24/17/270092417.db2.gz ZAYZSEQBSLBHST-WBVHZDCISA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305168347 270092418 /nfs/dbraw/zinc/09/24/18/270092418.db2.gz ZAYZSEQBSLBHST-WBVHZDCISA-N 1 3 296.499 3.170 20 0 CGADHO c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]CCCN1CCCC1 ZINC000316955715 270093136 /nfs/dbraw/zinc/09/31/36/270093136.db2.gz IKYJDFPIVSUVQK-YOFSQIOKSA-N 1 3 298.474 3.256 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530215735 270195577 /nfs/dbraw/zinc/19/55/77/270195577.db2.gz IIGUMRJTPRYIHZ-MSOLQXFVSA-N 1 3 284.447 3.190 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000132228682 274141824 /nfs/dbraw/zinc/14/18/24/274141824.db2.gz HCZZDDZMSMVNOU-DZGCQCFKSA-N 1 3 284.403 3.018 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCc2c(Br)cccc21)[C@H](C)N ZINC000423451368 274256956 /nfs/dbraw/zinc/25/69/56/274256956.db2.gz UUMXMPMHIYLIDQ-IMSIIYSGSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233312 274394262 /nfs/dbraw/zinc/39/42/62/274394262.db2.gz KBXAIXSCWMOFRL-IGCXYCKISA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233312 274394266 /nfs/dbraw/zinc/39/42/66/274394266.db2.gz KBXAIXSCWMOFRL-IGCXYCKISA-N 1 3 276.399 3.275 20 0 CGADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984729 275396165 /nfs/dbraw/zinc/39/61/65/275396165.db2.gz IBJXDJQTGZUZBO-YESZJQIVSA-N 1 3 292.467 3.085 20 0 CGADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984729 275396168 /nfs/dbraw/zinc/39/61/68/275396168.db2.gz IBJXDJQTGZUZBO-YESZJQIVSA-N 1 3 292.467 3.085 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422952955 275537190 /nfs/dbraw/zinc/53/71/90/275537190.db2.gz DMAXBORNNQDPGT-ZBFHGGJFSA-N 1 3 290.451 3.080 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422934719 275743702 /nfs/dbraw/zinc/74/37/02/275743702.db2.gz CYVFCUHCBGFXQK-MAUKXSAKSA-N 1 3 290.451 3.167 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000508193379 276096092 /nfs/dbraw/zinc/09/60/92/276096092.db2.gz IMXHTGYJUKKYKO-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000508193379 276096093 /nfs/dbraw/zinc/09/60/93/276096093.db2.gz IMXHTGYJUKKYKO-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CCOC1CC(C[NH2+][C@H]2CCCC[C@H]2CN(CC)CC)C1 ZINC000509127354 276450323 /nfs/dbraw/zinc/45/03/23/276450323.db2.gz WUKJSAKEHJDQQA-IKJBURDNSA-N 1 3 296.499 3.292 20 0 CGADHO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000459758149 276853917 /nfs/dbraw/zinc/85/39/17/276853917.db2.gz LFYDPQSYRSKYMX-IAOVAPTHSA-N 1 3 262.441 3.172 20 0 CGADHO C[NH2+]CCC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000262008743 277021472 /nfs/dbraw/zinc/02/14/72/277021472.db2.gz SJZLQKSGCMOXNF-QGZVFWFLSA-N 1 3 276.399 3.135 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCC1 ZINC000429514828 277188823 /nfs/dbraw/zinc/18/88/23/277188823.db2.gz MOJUHFPKBILPSP-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1C[C@H]1C ZINC000321084377 287945315 /nfs/dbraw/zinc/94/53/15/287945315.db2.gz MFZZGIMTDQCJAG-XBFCOCLRSA-N 1 3 252.446 3.320 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CS1 ZINC000365194149 277244751 /nfs/dbraw/zinc/24/47/51/277244751.db2.gz CDIHMSYVFLJZLA-XQLPTFJDSA-N 1 3 282.497 3.123 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000365194149 277244753 /nfs/dbraw/zinc/24/47/53/277244753.db2.gz CDIHMSYVFLJZLA-XQLPTFJDSA-N 1 3 282.497 3.123 20 0 CGADHO COc1cc(Cl)ccc1[C@@H](C)NCCCC[NH+](C)C ZINC000421827696 277379201 /nfs/dbraw/zinc/37/92/01/277379201.db2.gz ZBJMUCROCZWKPP-GFCCVEGCSA-N 1 3 284.831 3.341 20 0 CGADHO CCc1ccc(CNC(C)(C)CCC[NH+](C)C)o1 ZINC000395682927 288010274 /nfs/dbraw/zinc/01/02/74/288010274.db2.gz VILYNCLDSIVIGZ-UHFFFAOYSA-N 1 3 252.402 3.052 20 0 CGADHO C[C@H](C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000397425121 288023795 /nfs/dbraw/zinc/02/37/95/288023795.db2.gz XBCVCYFDWCYFMI-HWMZRRJGSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@H](C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000397425121 288023797 /nfs/dbraw/zinc/02/37/97/288023797.db2.gz XBCVCYFDWCYFMI-HWMZRRJGSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccncc1 ZINC000156462122 278257444 /nfs/dbraw/zinc/25/74/44/278257444.db2.gz SZJPEBFNGXBGOS-INIZCTEOSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@@H]1CC1(C)C ZINC000397756526 288029482 /nfs/dbraw/zinc/02/94/82/288029482.db2.gz QOBRTJSBDFHYDY-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH3+])[C@H](C)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415005352 278315767 /nfs/dbraw/zinc/31/57/67/278315767.db2.gz APPKXVWVYRSIEB-MXWKQRLJSA-N 1 3 274.330 3.134 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000366964246 279094021 /nfs/dbraw/zinc/09/40/21/279094021.db2.gz SPLCCFLUZJYVHD-KSZLIROESA-N 1 3 296.499 3.124 20 0 CGADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000366964246 279094023 /nfs/dbraw/zinc/09/40/23/279094023.db2.gz SPLCCFLUZJYVHD-KSZLIROESA-N 1 3 296.499 3.124 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000356694348 279121177 /nfs/dbraw/zinc/12/11/77/279121177.db2.gz JUDYZTJWDRJLFO-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@H]1CN ZINC000423265846 279272381 /nfs/dbraw/zinc/27/23/81/279272381.db2.gz DBKVZDOEKYHUDN-BFQNTYOBSA-N 1 3 282.378 3.003 20 0 CGADHO C[C@H](C[C@@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000360932875 279368432 /nfs/dbraw/zinc/36/84/32/279368432.db2.gz HEYUXXFCOPTLMD-QAPCUYQASA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C[C@@H](C)C1 ZINC000358036238 280010236 /nfs/dbraw/zinc/01/02/36/280010236.db2.gz KXUNIBYQJHATGF-ILOCAZANSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527681214 288187954 /nfs/dbraw/zinc/18/79/54/288187954.db2.gz MHWVNLBNTCLXCS-LMSBXDPUSA-N 1 3 278.484 3.379 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000414768420 280174024 /nfs/dbraw/zinc/17/40/24/280174024.db2.gz VAPPQUXJLDEGAI-GBESFXJTSA-N 1 3 284.447 3.182 20 0 CGADHO CC[C@@H](NCC1(CCOC)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423065829 280185304 /nfs/dbraw/zinc/18/53/04/280185304.db2.gz VGJBATRXDFEVOZ-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CC[C@@H]([NH2+]CC1(CCOC)CCCCC1)[C@@H]1CCCN1 ZINC000423065829 280185308 /nfs/dbraw/zinc/18/53/08/280185308.db2.gz VGJBATRXDFEVOZ-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H](C)[C@@H](C)N)CC2 ZINC000423459668 280309243 /nfs/dbraw/zinc/30/92/43/280309243.db2.gz IGEJQFAUVOKBMU-GBIKHYSHSA-N 1 3 297.240 3.070 20 0 CGADHO CC[C@H]1CC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423462687 288248508 /nfs/dbraw/zinc/24/85/08/288248508.db2.gz DTCRXEGRYFZDBD-OXXUSNJHSA-N 1 3 290.426 3.297 20 0 CGADHO Cc1ccc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000443433047 281039253 /nfs/dbraw/zinc/03/92/53/281039253.db2.gz UUMCCZLKEDVHTI-CABCVRRESA-N 1 3 281.403 3.004 20 0 CGADHO Cc1ccc2nccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000443433047 281039255 /nfs/dbraw/zinc/03/92/55/281039255.db2.gz UUMCCZLKEDVHTI-CABCVRRESA-N 1 3 281.403 3.004 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530208605 288299773 /nfs/dbraw/zinc/29/97/73/288299773.db2.gz FWTJSBFFJUADFW-DMRKSPOLSA-N 1 3 290.838 3.228 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179289 288296208 /nfs/dbraw/zinc/29/62/08/288296208.db2.gz SIDZVAJVKYNEHF-IAGOWNOFSA-N 1 3 272.436 3.272 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCNC23CCC3)c1 ZINC000530179779 288296265 /nfs/dbraw/zinc/29/62/65/288296265.db2.gz XGNDWQLFBXXFFF-DOTOQJQBSA-N 1 3 272.436 3.190 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530179991 288296642 /nfs/dbraw/zinc/29/66/42/288296642.db2.gz ZJMCYTHWMWVKJW-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179902 288296845 /nfs/dbraw/zinc/29/68/45/288296845.db2.gz YPNLHEWVMUEAET-IAGOWNOFSA-N 1 3 272.436 3.190 20 0 CGADHO C[C@@H]([NH2+]CC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000539019938 288598286 /nfs/dbraw/zinc/59/82/86/288598286.db2.gz HEQZKUNWEQEHDW-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)N1CCCCC1 ZINC000549038345 289032938 /nfs/dbraw/zinc/03/29/38/289032938.db2.gz YUHXSMQJVHBUFZ-QXSJWSMHSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000552235473 289173659 /nfs/dbraw/zinc/17/36/59/289173659.db2.gz IPNSSTNUWWSWHV-WDSOQIARSA-N 1 3 284.447 3.429 20 0 CGADHO CN1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000552250036 289175613 /nfs/dbraw/zinc/17/56/13/289175613.db2.gz STQJFMLJSDLSHB-OKZBNKHCSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@H](NCCOC2CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000552250036 289175617 /nfs/dbraw/zinc/17/56/17/289175617.db2.gz STQJFMLJSDLSHB-OKZBNKHCSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@H+]1CC[C@H](NCCOC2CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000552250036 289175620 /nfs/dbraw/zinc/17/56/20/289175620.db2.gz STQJFMLJSDLSHB-OKZBNKHCSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]1CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000554072328 289255171 /nfs/dbraw/zinc/25/51/71/289255171.db2.gz RGBIBVKCUDDMJF-XJKSGUPXSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)CC3 ZINC000562746416 289731767 /nfs/dbraw/zinc/73/17/67/289731767.db2.gz IRMLOKVHNGHDBE-JJRVBVJISA-N 1 3 297.446 3.051 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000414825077 289772286 /nfs/dbraw/zinc/77/22/86/289772286.db2.gz RWQGKYPVZUVBGJ-IMJJTQAJSA-N 1 3 252.446 3.452 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1nccc2ccccc21 ZINC000423283391 290043463 /nfs/dbraw/zinc/04/34/63/290043463.db2.gz VZLSXJAJECYTTI-LXZKKBNFSA-N 1 3 283.419 3.403 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000422728882 293261636 /nfs/dbraw/zinc/26/16/36/293261636.db2.gz JTWBPQOBWXEBBE-DETPVDSQSA-N 1 3 261.413 3.078 20 0 CGADHO [NH3+]CCOCCN1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000357075419 295234862 /nfs/dbraw/zinc/23/48/62/295234862.db2.gz HRCNRJQYEXNZES-INIZCTEOSA-N 1 3 296.842 3.232 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698834 295255465 /nfs/dbraw/zinc/25/54/65/295255465.db2.gz BGUIEWLNBJLTEO-WFASDCNBSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@H](CCN)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414893963 298426631 /nfs/dbraw/zinc/42/66/31/298426631.db2.gz KUKBBGOLMSQEKA-WDEREUQCSA-N 1 3 274.330 3.136 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)CN1CCCCC1 ZINC000510724608 298793746 /nfs/dbraw/zinc/79/37/46/298793746.db2.gz YZPNTRWMBRIJCH-PVAVHDDUSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1ccccc1[C@@H](NCC1C[NH2+]C1)C1CCCC1 ZINC000423326771 302135325 /nfs/dbraw/zinc/13/53/25/302135325.db2.gz RCSQWXCTVKKZSQ-KRWDZBQOSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccccc1[C@@H]([NH2+]CC1CNC1)C1CCCC1 ZINC000423326771 302135327 /nfs/dbraw/zinc/13/53/27/302135327.db2.gz RCSQWXCTVKKZSQ-KRWDZBQOSA-N 1 3 258.409 3.035 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423383772 303459527 /nfs/dbraw/zinc/45/95/27/303459527.db2.gz KRWOFHCTOKWLFQ-OAGGEKHMSA-N 1 3 262.372 3.136 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000152196641 321695607 /nfs/dbraw/zinc/69/56/07/321695607.db2.gz KTDFLQUCZZCSKK-OFQRWUPVSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000162537060 321884733 /nfs/dbraw/zinc/88/47/33/321884733.db2.gz AKIBAIPGBSTWBR-GJZGRUSLSA-N 1 3 278.440 3.151 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000563424311 321997003 /nfs/dbraw/zinc/99/70/03/321997003.db2.gz KYUNRMGHOLNBHW-XWTMOSNGSA-N 1 3 288.435 3.014 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)[C@@H](C)C2 ZINC000564212022 322023312 /nfs/dbraw/zinc/02/33/12/322023312.db2.gz OTFBNZGCDNIGLU-IFXJQAMLSA-N 1 3 280.415 3.477 20 0 CGADHO C[C@H](CC[NH2+]CC1Cc2ccccc2C1)N1CCCCC1 ZINC000564536278 322033773 /nfs/dbraw/zinc/03/37/73/322033773.db2.gz DNWYTBXMBIAXLT-MRXNPFEDSA-N 1 3 286.463 3.256 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)C1CCCCC1 ZINC000565226843 322068313 /nfs/dbraw/zinc/06/83/13/322068313.db2.gz OJAUTNOHKBDZNR-GJZGRUSLSA-N 1 3 252.446 3.452 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000565508401 322080347 /nfs/dbraw/zinc/08/03/47/322080347.db2.gz SZTQYYFPOQMULT-KBAYOESNSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000565508401 322080349 /nfs/dbraw/zinc/08/03/49/322080349.db2.gz SZTQYYFPOQMULT-KBAYOESNSA-N 1 3 278.484 3.476 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000565795358 322091611 /nfs/dbraw/zinc/09/16/11/322091611.db2.gz YPDPTEYIAMGOND-UHFFFAOYSA-N 1 3 286.463 3.254 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cnc2ccsc2c1 ZINC000565827598 322092834 /nfs/dbraw/zinc/09/28/34/322092834.db2.gz JJOQJIIHDLDIRO-OUCADQQQSA-N 1 3 289.448 3.464 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000565950917 322097977 /nfs/dbraw/zinc/09/79/77/322097977.db2.gz MUSXJFHMKGWJJB-QZTJIDSGSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)NCCC[NH2+]C(C)C ZINC000566088466 322103699 /nfs/dbraw/zinc/10/36/99/322103699.db2.gz RJRVFXHTSBNRSF-QGZVFWFLSA-N 1 3 262.441 3.294 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCNC(C)C ZINC000566088466 322103702 /nfs/dbraw/zinc/10/37/02/322103702.db2.gz RJRVFXHTSBNRSF-QGZVFWFLSA-N 1 3 262.441 3.294 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@@H](C)[NH3+])sc1Br ZINC000567734289 322175203 /nfs/dbraw/zinc/17/52/03/322175203.db2.gz ANSOXPZCLNXAFI-RKDXNWHRSA-N 1 3 291.258 3.034 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@H](c3cccnc3)C2)CCCCC1 ZINC000566555671 322129382 /nfs/dbraw/zinc/12/93/82/322129382.db2.gz IXUOABJFMFELQA-DOTOQJQBSA-N 1 3 287.451 3.359 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000566974393 322145186 /nfs/dbraw/zinc/14/51/86/322145186.db2.gz UOIOOAATPMJJAL-MRXNPFEDSA-N 1 3 284.428 3.472 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000567415585 322162397 /nfs/dbraw/zinc/16/23/97/322162397.db2.gz GRLGEVMBZLQPFR-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCSc2ccc(Cl)cc2)C1 ZINC000568107826 322193721 /nfs/dbraw/zinc/19/37/21/322193721.db2.gz ZMLYVIORZIOSKV-CHWSQXEVSA-N 1 3 284.856 3.292 20 0 CGADHO Cc1nsc(C)c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000568167682 322196026 /nfs/dbraw/zinc/19/60/26/322196026.db2.gz LOQIAIISNIHOBQ-UHFFFAOYSA-N 1 3 295.496 3.314 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000568412758 322208634 /nfs/dbraw/zinc/20/86/34/322208634.db2.gz ILQZGKSERVYKOC-BFQNTYOBSA-N 1 3 280.362 3.202 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000569712889 322255019 /nfs/dbraw/zinc/25/50/19/322255019.db2.gz HCEIJLIXRNVKID-ZSAKZZKXSA-N 1 3 276.468 3.308 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000569867451 322259107 /nfs/dbraw/zinc/25/91/07/322259107.db2.gz JLKRVSUCYVTQMX-DZKIICNBSA-N 1 3 262.372 3.063 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CCCC34CC4)CC2)ccn1 ZINC000570292434 322270219 /nfs/dbraw/zinc/27/02/19/322270219.db2.gz JLVFVDUREQCPPB-QGZVFWFLSA-N 1 3 285.435 3.220 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582874 322277218 /nfs/dbraw/zinc/27/72/18/322277218.db2.gz MDVDWUSWSQFPTQ-JKSUJKDBSA-N 1 3 276.399 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582874 322277220 /nfs/dbraw/zinc/27/72/20/322277220.db2.gz MDVDWUSWSQFPTQ-JKSUJKDBSA-N 1 3 276.399 3.107 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)CCc1ccsc1 ZINC000570708824 322280237 /nfs/dbraw/zinc/28/02/37/322280237.db2.gz VWFRJPBTTSNHOF-CYBMUJFWSA-N 1 3 254.443 3.047 20 0 CGADHO CCC[C@@H](NCC1CC[NH+](CC)CC1)c1ccccn1 ZINC000570705250 322280312 /nfs/dbraw/zinc/28/03/12/322280312.db2.gz CTEGRFCAIMWXQM-MRXNPFEDSA-N 1 3 275.440 3.244 20 0 CGADHO CCSCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000571335710 322296101 /nfs/dbraw/zinc/29/61/01/322296101.db2.gz COARJPSGVWHBPS-CQSZACIVSA-N 1 3 292.492 3.296 20 0 CGADHO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000571335710 322296102 /nfs/dbraw/zinc/29/61/02/322296102.db2.gz COARJPSGVWHBPS-CQSZACIVSA-N 1 3 292.492 3.296 20 0 CGADHO CC[NH+]1CCC(CN[C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000572148129 322322560 /nfs/dbraw/zinc/32/25/60/322322560.db2.gz ZYSYCYXHWPCQNF-KRWDZBQOSA-N 1 3 293.430 3.239 20 0 CGADHO CC(C)CC[C@@H]1CCCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000573249123 322377410 /nfs/dbraw/zinc/37/74/10/322377410.db2.gz VUGPYQWZUWWQJR-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CC1=C[C@H](C)C[C@H](CN2CCC([NH2+]C(C)C)CC2)C1 ZINC000582777636 329168297 /nfs/dbraw/zinc/16/82/97/329168297.db2.gz RLCPEOBGOZZZGY-HOCLYGCPSA-N 1 3 264.457 3.441 20 0 CGADHO Clc1ccc(CNCCC[NH+]2CCC2)c2ncccc12 ZINC000583033524 329305518 /nfs/dbraw/zinc/30/55/18/329305518.db2.gz DVKVSPYEAOKSAL-UHFFFAOYSA-N 1 3 289.810 3.074 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000576464780 335207068 /nfs/dbraw/zinc/20/70/68/335207068.db2.gz OSQGPOJDLRIPQP-QWRGUYRKSA-N 1 3 254.443 3.261 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178413702 335430781 /nfs/dbraw/zinc/43/07/81/335430781.db2.gz SELUQRCYBHIQJY-HOTGVXAUSA-N 1 3 290.451 3.263 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423300632 533771042 /nfs/dbraw/zinc/77/10/42/533771042.db2.gz DPHCIURAUYITGQ-IINYFYTJSA-N 1 3 286.341 3.341 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccccc1C(F)(F)F ZINC000423322385 533835677 /nfs/dbraw/zinc/83/56/77/533835677.db2.gz IINQLAAUTUPAGB-JTQLQIEISA-N 1 3 272.314 3.237 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccc(OC(F)(F)F)c1 ZINC000423325815 533836654 /nfs/dbraw/zinc/83/66/54/533836654.db2.gz LUJOKONUZZDQBU-JTQLQIEISA-N 1 3 288.313 3.117 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414800553 534002997 /nfs/dbraw/zinc/00/29/97/534002997.db2.gz LBZJTDMMDFGFSZ-BPLDGKMQSA-N 1 3 266.454 3.176 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423392637 534267136 /nfs/dbraw/zinc/26/71/36/534267136.db2.gz XXAZFRZQFFHLSY-VNHYZAJKSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423392637 534267139 /nfs/dbraw/zinc/26/71/39/534267139.db2.gz XXAZFRZQFFHLSY-VNHYZAJKSA-N 1 3 272.392 3.094 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000019914977 517640405 /nfs/dbraw/zinc/64/04/05/517640405.db2.gz KOOGQGQKMCLURA-HUUCEWRRSA-N 1 3 263.429 3.243 20 0 CGADHO c1ccc([C@H](NCCC[C@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000423480968 534501315 /nfs/dbraw/zinc/50/13/15/534501315.db2.gz NVSAOCCFUBMDCX-MJGOQNOKSA-N 1 3 295.430 3.293 20 0 CGADHO [NH3+]CCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420392456 534616338 /nfs/dbraw/zinc/61/63/38/534616338.db2.gz BMZGMGPETNABTG-CQSZACIVSA-N 1 3 252.789 3.120 20 0 CGADHO Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CC3CNC3)C2)c1 ZINC000423317290 534648359 /nfs/dbraw/zinc/64/83/59/534648359.db2.gz KGNKHFSBCCXHOU-GDBMZVCRSA-N 1 3 278.827 3.175 20 0 CGADHO Clc1cccc([C@@H]2CCC[C@@H](NCC3C[NH2+]C3)C2)c1 ZINC000423317290 534648363 /nfs/dbraw/zinc/64/83/63/534648363.db2.gz KGNKHFSBCCXHOU-GDBMZVCRSA-N 1 3 278.827 3.175 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ccccc1Br ZINC000309420919 524141220 /nfs/dbraw/zinc/14/12/20/524141220.db2.gz LIRGWVKJGCXKAV-MNOVXSKESA-N 1 3 285.229 3.227 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccsc1 ZINC000061362760 525364187 /nfs/dbraw/zinc/36/41/87/525364187.db2.gz NBRDVRRGTFNMNV-GXTWGEPZSA-N 1 3 252.427 3.273 20 0 CGADHO Cc1ccsc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163865 525857872 /nfs/dbraw/zinc/85/78/72/525857872.db2.gz XJDWZLKAIPHLJF-AGUYFDCRSA-N 1 3 264.438 3.161 20 0 CGADHO Cc1ccsc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163865 525857878 /nfs/dbraw/zinc/85/78/78/525857878.db2.gz XJDWZLKAIPHLJF-AGUYFDCRSA-N 1 3 264.438 3.161 20 0 CGADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC000423302313 526310455 /nfs/dbraw/zinc/31/04/55/526310455.db2.gz VKOIMXPXVOSIGL-UDLYIEAKSA-N 1 3 290.451 3.147 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1cccc(F)c1 ZINC000422762415 527176725 /nfs/dbraw/zinc/17/67/25/527176725.db2.gz NTVDOZIAUJUHFP-CZUORRHYSA-N 1 3 278.415 3.210 20 0 CGADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000437606885 527480587 /nfs/dbraw/zinc/48/05/87/527480587.db2.gz VREFKVZKSZFIMV-ZWKOTPCHSA-N 1 3 294.483 3.001 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423304829 527783132 /nfs/dbraw/zinc/78/31/32/527783132.db2.gz ZQUTVWPJIWRRIB-LSDHHAIUSA-N 1 3 278.440 3.357 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000436469062 528062561 /nfs/dbraw/zinc/06/25/61/528062561.db2.gz UYCBGGSGCLPWQM-CXUOOODFSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000436469062 528062567 /nfs/dbraw/zinc/06/25/67/528062567.db2.gz UYCBGGSGCLPWQM-CXUOOODFSA-N 1 3 284.447 3.323 20 0 CGADHO CC(C)COc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423349979 528162547 /nfs/dbraw/zinc/16/25/47/528162547.db2.gz YCSPYYZRTHQHFI-OAHLLOKOSA-N 1 3 288.435 3.292 20 0 CGADHO CC1CC(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000436278514 528163301 /nfs/dbraw/zinc/16/33/01/528163301.db2.gz ANUCWEVLICABLS-XUJLQICISA-N 1 3 250.430 3.172 20 0 CGADHO CC1CC(NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000436278514 528163308 /nfs/dbraw/zinc/16/33/08/528163308.db2.gz ANUCWEVLICABLS-XUJLQICISA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)CSCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000365406594 528212098 /nfs/dbraw/zinc/21/20/98/528212098.db2.gz WJFPSQKXNSDNKJ-HNNXBMFYSA-N 1 3 272.502 3.182 20 0 CGADHO CC(C)CSCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365406594 528212105 /nfs/dbraw/zinc/21/21/05/528212105.db2.gz WJFPSQKXNSDNKJ-HNNXBMFYSA-N 1 3 272.502 3.182 20 0 CGADHO CC(C)CSCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365406594 528212109 /nfs/dbraw/zinc/21/21/09/528212109.db2.gz WJFPSQKXNSDNKJ-HNNXBMFYSA-N 1 3 272.502 3.182 20 0 CGADHO CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CCSC3)C2)CC1 ZINC000365868569 528253980 /nfs/dbraw/zinc/25/39/80/528253980.db2.gz BPZWOGUZFJYTLL-IAGOWNOFSA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@H+](C[C@H]3CCSC3)C2)CC1 ZINC000365868569 528253988 /nfs/dbraw/zinc/25/39/88/528253988.db2.gz BPZWOGUZFJYTLL-IAGOWNOFSA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000365868569 528253994 /nfs/dbraw/zinc/25/39/94/528253994.db2.gz BPZWOGUZFJYTLL-IAGOWNOFSA-N 1 3 296.524 3.183 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423282868 528951031 /nfs/dbraw/zinc/95/10/31/528951031.db2.gz DEICVBIYVMDVJY-RDJZCZTQSA-N 1 3 290.451 3.261 20 0 CGADHO CCOC[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000427868988 528976291 /nfs/dbraw/zinc/97/62/91/528976291.db2.gz RLZQGSOXKCNKHR-VYDXJSESSA-N 1 3 282.472 3.044 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105459 529052153 /nfs/dbraw/zinc/05/21/53/529052153.db2.gz IAJVRBXNCGKCSQ-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO CCSc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423299677 529247692 /nfs/dbraw/zinc/24/76/92/529247692.db2.gz QKKVEXCZVUTQTE-NEPJUHHUSA-N 1 3 252.427 3.044 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C1CC1)CN1CCCC1 ZINC000477922307 535152987 /nfs/dbraw/zinc/15/29/87/535152987.db2.gz ZTSRSYRMSWFTOD-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2CN)c2ccccc2n1 ZINC000261598587 572344714 /nfs/dbraw/zinc/34/47/14/572344714.db2.gz QQTBEXJHCUTZHI-CJNGLKHVSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2CN)c2ccccc2n1 ZINC000261598587 572344718 /nfs/dbraw/zinc/34/47/18/572344718.db2.gz QQTBEXJHCUTZHI-CJNGLKHVSA-N 1 3 283.419 3.102 20 0 CGADHO CCCN1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000740898484 572467606 /nfs/dbraw/zinc/46/76/06/572467606.db2.gz VOBLQXOFLDBCOF-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000226511687 572468575 /nfs/dbraw/zinc/46/85/75/572468575.db2.gz FQRZUWSWOYWOQZ-KCPJHIHWSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226511687 572468578 /nfs/dbraw/zinc/46/85/78/572468578.db2.gz FQRZUWSWOYWOQZ-KCPJHIHWSA-N 1 3 266.816 3.131 20 0 CGADHO Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000306892515 572811597 /nfs/dbraw/zinc/81/15/97/572811597.db2.gz HEQQEWCNAHYJMB-KRWDZBQOSA-N 1 3 267.376 3.076 20 0 CGADHO CCc1ccc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000205372113 572814580 /nfs/dbraw/zinc/81/45/80/572814580.db2.gz QSPDPKATQVQRBK-QGZVFWFLSA-N 1 3 286.463 3.428 20 0 CGADHO CCc1ccc(C2CC[NH+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000205372113 572814585 /nfs/dbraw/zinc/81/45/85/572814585.db2.gz QSPDPKATQVQRBK-QGZVFWFLSA-N 1 3 286.463 3.428 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166421334 572815481 /nfs/dbraw/zinc/81/54/81/572815481.db2.gz DPDUWLTZBJKGPE-LSDHHAIUSA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166421334 572815485 /nfs/dbraw/zinc/81/54/85/572815485.db2.gz DPDUWLTZBJKGPE-LSDHHAIUSA-N 1 3 290.426 3.320 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473106 572872746 /nfs/dbraw/zinc/87/27/46/572872746.db2.gz URQUSOZIEIRQRJ-FUHWJXTLSA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473106 572872750 /nfs/dbraw/zinc/87/27/50/572872750.db2.gz URQUSOZIEIRQRJ-FUHWJXTLSA-N 1 3 290.451 3.036 20 0 CGADHO CN(C)[C@H](CNc1cc(N)[nH+]cc1Cl)c1ccsc1 ZINC000891727485 618263885 /nfs/dbraw/zinc/26/38/85/618263885.db2.gz BSASLSVNWXOEOG-GFCCVEGCSA-N 1 3 296.827 3.094 20 0 CGADHO CCCC[N@H+](C)CC1CCN(C/C=C/Cl)CC1 ZINC000052209088 618700869 /nfs/dbraw/zinc/70/08/69/618700869.db2.gz NZZZMHFKILMQQO-VMPITWQZSA-N 1 3 258.837 3.183 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(C/C=C/Cl)CC1 ZINC000052209088 618700870 /nfs/dbraw/zinc/70/08/70/618700870.db2.gz NZZZMHFKILMQQO-VMPITWQZSA-N 1 3 258.837 3.183 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000892585901 618867606 /nfs/dbraw/zinc/86/76/06/618867606.db2.gz YVCBZQREUJDTPX-AWEZNQCLSA-N 1 3 293.455 3.290 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000892585901 618867607 /nfs/dbraw/zinc/86/76/07/618867607.db2.gz YVCBZQREUJDTPX-AWEZNQCLSA-N 1 3 293.455 3.290 20 0 CGADHO COc1ccc([C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C2CC2)cc1 ZINC000925582254 619073123 /nfs/dbraw/zinc/07/31/23/619073123.db2.gz DNXKNLWXCLNWKG-BRWVUGGUSA-N 1 3 286.419 3.006 20 0 CGADHO C[C@H]([NH3+])[C@H](NC1CCC(F)(F)CC1)c1ccccc1 ZINC000925630808 619097619 /nfs/dbraw/zinc/09/76/19/619097619.db2.gz UAKYLSQYONRIRZ-FZMZJTMJSA-N 1 3 268.351 3.242 20 0 CGADHO CC1(C)[C@H]([NH2+]C2CCC3(CC3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925651776 619109375 /nfs/dbraw/zinc/10/93/75/619109375.db2.gz KRIAQACIGMDVOV-QLFBSQMISA-N 1 3 262.441 3.075 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@H](c2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000925682867 619131363 /nfs/dbraw/zinc/13/13/63/619131363.db2.gz GXJZEQXQOPONRF-MVJTYMMSSA-N 1 3 290.451 3.116 20 0 CGADHO CCSc1ccccc1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925834874 619286342 /nfs/dbraw/zinc/28/63/42/619286342.db2.gz JEESCDVBBCBRCO-HOTGVXAUSA-N 1 3 290.476 3.201 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)N)c1ccc(Br)cc1 ZINC000261588595 619290234 /nfs/dbraw/zinc/29/02/34/619290234.db2.gz SLDCBQNSDIGMRC-GFCCVEGCSA-N 1 3 285.229 3.227 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261652200 619298828 /nfs/dbraw/zinc/29/88/28/619298828.db2.gz BCCLBRCPVBKJSM-WCQYABFASA-N 1 3 286.341 3.183 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000894456813 619543984 /nfs/dbraw/zinc/54/39/84/619543984.db2.gz REVJVYYABYTSCV-WBVHZDCISA-N 1 3 272.436 3.036 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494170 619555885 /nfs/dbraw/zinc/55/58/85/619555885.db2.gz CVXLFFLITWFEHD-ZHALLVOQSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494170 619555889 /nfs/dbraw/zinc/55/58/89/619555889.db2.gz CVXLFFLITWFEHD-ZHALLVOQSA-N 1 3 284.447 3.133 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@H](C)N(C)C ZINC000895296559 619799551 /nfs/dbraw/zinc/79/95/51/619799551.db2.gz OZSYCUDURKDGED-KGLIPLIRSA-N 1 3 266.404 3.077 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2(CCCOC)CCC2)CC1 ZINC000895755460 619881524 /nfs/dbraw/zinc/88/15/24/619881524.db2.gz ZIYSZMUBRZTHPL-UHFFFAOYSA-N 1 3 296.499 3.390 20 0 CGADHO C[NH+](C)CC[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccnc1 ZINC000896716239 620051161 /nfs/dbraw/zinc/05/11/61/620051161.db2.gz GKDFZPXEPHHHRG-LMSBXDPUSA-N 1 3 287.451 3.100 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000019905679 620142181 /nfs/dbraw/zinc/14/21/81/620142181.db2.gz PEPUWLRHMPAAHD-UHFFFAOYSA-N 1 3 288.357 3.383 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144500 620180057 /nfs/dbraw/zinc/18/00/57/620180057.db2.gz UAWSVWOFQNMASN-KEYYUXOJSA-N 1 3 290.451 3.047 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144500 620180059 /nfs/dbraw/zinc/18/00/59/620180059.db2.gz UAWSVWOFQNMASN-KEYYUXOJSA-N 1 3 290.451 3.047 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC000924706863 620569344 /nfs/dbraw/zinc/56/93/44/620569344.db2.gz RFXUGVGVVMDTBM-UQPPLGOBSA-N 1 3 290.476 3.241 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC000902390906 621302082 /nfs/dbraw/zinc/30/20/82/621302082.db2.gz QYIRUNRFELSAMF-IVMMDQJWSA-N 1 3 276.399 3.049 20 0 CGADHO Clc1cccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)c1 ZINC000902462360 621337184 /nfs/dbraw/zinc/33/71/84/621337184.db2.gz VEWBLJQSFZCXJP-ZZTPXLKCSA-N 1 3 290.838 3.459 20 0 CGADHO CCO[C@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000902971599 621517886 /nfs/dbraw/zinc/51/78/86/621517886.db2.gz XFONGSPTGAGGCV-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCN(C2CCC2)C1 ZINC000903147719 621610355 /nfs/dbraw/zinc/61/03/55/621610355.db2.gz MULQKCVOURPMFD-INSJMTBZSA-N 1 3 276.468 3.418 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cccnc1 ZINC000903378220 621721363 /nfs/dbraw/zinc/72/13/63/621721363.db2.gz PHBJHUQXDWGBTB-IDCNUPLLSA-N 1 3 287.451 3.243 20 0 CGADHO C[NH+](C)CC[C@H](NC1CCC2(CC2)CC1)c1cccnc1 ZINC000903378890 621721413 /nfs/dbraw/zinc/72/14/13/621721413.db2.gz FDODMIPAZYOZEK-KRWDZBQOSA-N 1 3 287.451 3.387 20 0 CGADHO Cc1cccc([C@@H]2CCN(C[C@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345555 621910658 /nfs/dbraw/zinc/91/06/58/621910658.db2.gz KCOAGKGCPRMTTB-QZTJIDSGSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@@H]2CC[N@H+](C[C@]3(C)CCCNC3)C2)c1 ZINC000904345555 621910662 /nfs/dbraw/zinc/91/06/62/621910662.db2.gz KCOAGKGCPRMTTB-QZTJIDSGSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@@H]2CC[N@@H+](C[C@]3(C)CCCNC3)C2)c1 ZINC000904345555 621910665 /nfs/dbraw/zinc/91/06/65/621910665.db2.gz KCOAGKGCPRMTTB-QZTJIDSGSA-N 1 3 272.436 3.174 20 0 CGADHO CCN(Cc1ccccc1Br)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350363 621910944 /nfs/dbraw/zinc/91/09/44/621910944.db2.gz JQVGUDCMKFFWMB-BJHJDKERSA-N 1 3 297.240 3.008 20 0 CGADHO CC[C@H](OCCNC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904376085 621916571 /nfs/dbraw/zinc/91/65/71/621916571.db2.gz LXILQHFJFYUTOB-ZWKOTPCHSA-N 1 3 290.451 3.134 20 0 CGADHO C[C@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@H]1C[NH3+] ZINC000904410483 621919105 /nfs/dbraw/zinc/91/91/05/621919105.db2.gz FXXOVPYCMUMYLO-JSGCOSHPSA-N 1 3 293.480 3.217 20 0 CGADHO CCCCCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000157700473 622942498 /nfs/dbraw/zinc/94/24/98/622942498.db2.gz QSHLZHOCESVZLB-ROUUACIJSA-N 1 3 295.515 3.057 20 0 CGADHO C[C@H](c1ccccc1F)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198077 623306509 /nfs/dbraw/zinc/30/65/09/623306509.db2.gz FRTOLZLHPUAZAH-DYVFJYSZSA-N 1 3 276.399 3.351 20 0 CGADHO [NH3+]CCc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000071309623 625073260 /nfs/dbraw/zinc/07/32/60/625073260.db2.gz IGCPXWFSFFLKSV-UHFFFAOYSA-N 1 3 280.824 3.193 20 0 CGADHO C[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCCCO1 ZINC000922815100 626050281 /nfs/dbraw/zinc/05/02/81/626050281.db2.gz DTSVCMGESROCPP-SFHVURJKSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCCO1 ZINC000922815100 626050283 /nfs/dbraw/zinc/05/02/83/626050283.db2.gz DTSVCMGESROCPP-SFHVURJKSA-N 1 3 294.483 3.332 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000086889051 626129812 /nfs/dbraw/zinc/12/98/12/626129812.db2.gz AXNWILQCCNDEMQ-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO COc1ccc2c(c1)nccc2N(C)CC1([NH+](C)C)CCC1 ZINC000782425659 628645306 /nfs/dbraw/zinc/64/53/06/628645306.db2.gz RCXWQRAPQMVPSO-UHFFFAOYSA-N 1 3 299.418 3.164 20 0 CGADHO COC(C)(C)[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000815570614 631796524 /nfs/dbraw/zinc/79/65/24/631796524.db2.gz IFKSXMGXAYQRPY-OAHLLOKOSA-N 1 3 296.499 3.434 20 0 CGADHO COC(C)(C)[C@@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000815570614 631796531 /nfs/dbraw/zinc/79/65/31/631796531.db2.gz IFKSXMGXAYQRPY-OAHLLOKOSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000817888411 632228861 /nfs/dbraw/zinc/22/88/61/632228861.db2.gz LINOHRWKXUWDCM-SJORKVTESA-N 1 3 276.424 3.223 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCCC[C@@H]1N)CCC2 ZINC000817921777 632234995 /nfs/dbraw/zinc/23/49/95/632234995.db2.gz IGOZJQKCFZEEJU-SGMGOOAPSA-N 1 3 279.453 3.079 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC000817934988 632236093 /nfs/dbraw/zinc/23/60/93/632236093.db2.gz DKOIHWNGBGAWDM-INIZCTEOSA-N 1 3 258.409 3.234 20 0 CGADHO C[C@@H](CSC(C)(C)C)NCC1([NH3+])CCCCC1 ZINC000817938520 632238645 /nfs/dbraw/zinc/23/86/45/632238645.db2.gz MBFFSPZHKZYEDE-LBPRGKRZSA-N 1 3 258.475 3.158 20 0 CGADHO [NH3+]CCc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000817947898 632244420 /nfs/dbraw/zinc/24/44/20/632244420.db2.gz DXZLZJHFEKBWQP-GOSISDBHSA-N 1 3 296.414 3.061 20 0 CGADHO COc1c(C)cc([C@H](C)NCC[C@H](C)[NH3+])cc1Cl ZINC000817953498 632249041 /nfs/dbraw/zinc/24/90/41/632249041.db2.gz PXDMRKIHHBITSQ-QWRGUYRKSA-N 1 3 270.804 3.045 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958390 632253178 /nfs/dbraw/zinc/25/31/78/632253178.db2.gz JFPQNCCJRRRFMP-HOTGVXAUSA-N 1 3 276.424 3.036 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@H](C)O1 ZINC000823748194 633149257 /nfs/dbraw/zinc/14/92/57/633149257.db2.gz UFSJMHYRIDKYNT-VKJFTORMSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@H](C)O1 ZINC000823748194 633149260 /nfs/dbraw/zinc/14/92/60/633149260.db2.gz UFSJMHYRIDKYNT-VKJFTORMSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@H](C[C@H](C)O)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000866637626 633226744 /nfs/dbraw/zinc/22/67/44/633226744.db2.gz YAHQOMBCAILIJY-CUSZFKRNSA-N 1 3 296.499 3.169 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])nc1Cl ZINC000866669300 633229631 /nfs/dbraw/zinc/22/96/31/633229631.db2.gz WZXJKDIUNAHZEU-IUODEOHRSA-N 1 3 295.858 3.383 20 0 CGADHO CO[C@H](C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706435 633234205 /nfs/dbraw/zinc/23/42/05/633234205.db2.gz BPKJBLMIGPTRPS-AEFFLSMTSA-N 1 3 290.451 3.071 20 0 CGADHO CO[C@H](C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706435 633234210 /nfs/dbraw/zinc/23/42/10/633234210.db2.gz BPKJBLMIGPTRPS-AEFFLSMTSA-N 1 3 290.451 3.071 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(CCCCC(F)(F)F)C1 ZINC000866708996 633235851 /nfs/dbraw/zinc/23/58/51/633235851.db2.gz UJAUQRDHZYHRQS-CYBMUJFWSA-N 1 3 280.378 3.416 20 0 CGADHO C[C@@H](C1CC1)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872103418 634024195 /nfs/dbraw/zinc/02/41/95/634024195.db2.gz ZVUWYHLWLSMDBS-AWEZNQCLSA-N 1 3 250.430 3.125 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cncc3ccccc32)C1 ZINC000873223593 634291094 /nfs/dbraw/zinc/29/10/94/634291094.db2.gz OPXZRCYNFUEKEU-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)c2ccccc21 ZINC000873275390 634315772 /nfs/dbraw/zinc/31/57/72/634315772.db2.gz KUVJSOCAFLHWOF-ZACQAIPSSA-N 1 3 286.419 3.213 20 0 CGADHO Cc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)cnc1Cl ZINC000841028957 635109015 /nfs/dbraw/zinc/10/90/15/635109015.db2.gz JKOXLIULWFWTQH-LBPRGKRZSA-N 1 3 289.810 3.353 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(SC(F)F)cc2)C1 ZINC000841057003 635115245 /nfs/dbraw/zinc/11/52/45/635115245.db2.gz GTHHNGVKKQFSIP-VXGBXAGGSA-N 1 3 286.391 3.361 20 0 CGADHO C[C@@H]([NH2+]CCCC1CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000878412422 635496724 /nfs/dbraw/zinc/49/67/24/635496724.db2.gz VADIJNPDGXRMFM-GDBMZVCRSA-N 1 3 264.457 3.419 20 0 CGADHO C[NH2+]CCCN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000843359079 635653572 /nfs/dbraw/zinc/65/35/72/635653572.db2.gz GSDXTYJZDADWJU-HUUCEWRRSA-N 1 3 296.480 3.026 20 0 CGADHO CN1CC[C@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000879573475 635814407 /nfs/dbraw/zinc/81/44/07/635814407.db2.gz OPHCYQFFTPKKQO-VQTJNVASSA-N 1 3 294.442 3.408 20 0 CGADHO CN1CC[C@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@H]21 ZINC000879573475 635814411 /nfs/dbraw/zinc/81/44/11/635814411.db2.gz OPHCYQFFTPKKQO-VQTJNVASSA-N 1 3 294.442 3.408 20 0 CGADHO C1=C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000883237987 636608075 /nfs/dbraw/zinc/60/80/75/636608075.db2.gz OWRGWNFHUXBVCS-OAHLLOKOSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H](Cc1ccccn1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000848566180 636609726 /nfs/dbraw/zinc/60/97/26/636609726.db2.gz YMTUNQUQBICMBS-HNNXBMFYSA-N 1 3 287.451 3.009 20 0 CGADHO C[C@@H](Cc1ccccn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000848566180 636609731 /nfs/dbraw/zinc/60/97/31/636609731.db2.gz YMTUNQUQBICMBS-HNNXBMFYSA-N 1 3 287.451 3.009 20 0 CGADHO CCCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849027873 636721720 /nfs/dbraw/zinc/72/17/20/636721720.db2.gz MYBVFJDESFKULW-INIZCTEOSA-N 1 3 288.439 3.114 20 0 CGADHO CN(C)C1(CNC(=[NH2+])NC2CCCCC2)CCCCCC1 ZINC000849053225 636733678 /nfs/dbraw/zinc/73/36/78/636733678.db2.gz OKVWOKQIWGLWDF-UHFFFAOYSA-N 1 3 294.487 3.088 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000883439392 636756461 /nfs/dbraw/zinc/75/64/61/636756461.db2.gz QAGQJNHSMBCETG-PBHICJAKSA-N 1 3 282.472 3.031 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000883439392 636756468 /nfs/dbraw/zinc/75/64/68/636756468.db2.gz QAGQJNHSMBCETG-PBHICJAKSA-N 1 3 282.472 3.031 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617284 637609511 /nfs/dbraw/zinc/60/95/11/637609511.db2.gz JLRICEFSTKXBPC-IHRRRGAJSA-N 1 3 290.373 3.135 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617284 637609516 /nfs/dbraw/zinc/60/95/16/637609516.db2.gz JLRICEFSTKXBPC-IHRRRGAJSA-N 1 3 290.373 3.135 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCCO2)CC1 ZINC000886725809 637674188 /nfs/dbraw/zinc/67/41/88/637674188.db2.gz XOZQPIHTGWMJPI-NXHRZFHOSA-N 1 3 294.483 3.188 20 0 CGADHO Fc1ccc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925488544 638119724 /nfs/dbraw/zinc/11/97/24/638119724.db2.gz KNIFOZDNMSOQGL-MSOLQXFVSA-N 1 3 290.426 3.126 20 0 CGADHO COc1cccc([C@H](C)N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484821 638509960 /nfs/dbraw/zinc/50/99/60/638509960.db2.gz JPQMWIMWFHSMRV-NWANDNLSSA-N 1 3 276.424 3.252 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925503413 638513323 /nfs/dbraw/zinc/51/33/23/638513323.db2.gz JJNZZRNOLDWXSA-YLFCFFPRSA-N 1 3 296.524 3.419 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2(c3ccc(F)cc3)CCC2)C12CCC2 ZINC000925547447 638524712 /nfs/dbraw/zinc/52/47/12/638524712.db2.gz OENLMUNJCKLHCS-HOTGVXAUSA-N 1 3 288.410 3.107 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925609642 638544283 /nfs/dbraw/zinc/54/42/83/638544283.db2.gz AGRVMWNEJRILMV-SJORKVTESA-N 1 3 296.499 3.076 20 0 CGADHO FC1(F)CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925619718 638546234 /nfs/dbraw/zinc/54/62/34/638546234.db2.gz QYSKIEXVNLERIH-KKUMJFAQSA-N 1 3 286.410 3.322 20 0 CGADHO Cc1cncc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925642746 638554031 /nfs/dbraw/zinc/55/40/31/638554031.db2.gz BXQCCBAUKUFQOY-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO C1[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C12CCCC2 ZINC000925653775 638558388 /nfs/dbraw/zinc/55/83/88/638558388.db2.gz ZNHQCQNXALEGBU-XHSDSOJGSA-N 1 3 262.441 3.077 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925704185 638572409 /nfs/dbraw/zinc/57/24/09/638572409.db2.gz CAGHHYUCODHRHX-FHWLQOOXSA-N 1 3 299.462 3.014 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000925726034 638583858 /nfs/dbraw/zinc/58/38/58/638583858.db2.gz XNLUERQZXLUKRU-HZMVEIRTSA-N 1 3 288.435 3.012 20 0 CGADHO COCCC[C@@H](NCCC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000925738327 638589572 /nfs/dbraw/zinc/58/95/72/638589572.db2.gz QHCWRPIUHVGSRE-OAHLLOKOSA-N 1 3 282.403 3.010 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000925739947 638591853 /nfs/dbraw/zinc/59/18/53/638591853.db2.gz BZJBUAVPKNLPND-JTQLQIEISA-N 1 3 290.329 3.363 20 0 CGADHO CCC1([NH3+])CCN(C2CCC(C(F)F)CC2)CC1 ZINC000925760026 638600975 /nfs/dbraw/zinc/60/09/75/638600975.db2.gz NFQMAXHVRSFUPM-UHFFFAOYSA-N 1 3 260.372 3.014 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)c2ccccc21 ZINC000925776723 638609070 /nfs/dbraw/zinc/60/90/70/638609070.db2.gz ZYCIVGSOEPKEPN-KBRIMQKVSA-N 1 3 286.419 3.070 20 0 CGADHO CSC1CC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000926118737 638711542 /nfs/dbraw/zinc/71/15/42/638711542.db2.gz BSURXEZMSHBUEX-ILGZHXLLSA-N 1 3 282.497 3.123 20 0 CGADHO CC(C)(C[NH2+]C1CC2(C1)COC(C)(C)C2)CN1CCCC1 ZINC000926276146 638757827 /nfs/dbraw/zinc/75/78/27/638757827.db2.gz UMICEGMOHIWZEY-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1CC2CCC1CC2)c1cccnc1 ZINC000926901671 638823045 /nfs/dbraw/zinc/82/30/45/638823045.db2.gz SEACZANAKQVPJO-NANBGGJNSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1 ZINC000927131067 638845864 /nfs/dbraw/zinc/84/58/64/638845864.db2.gz VABSUZNQXFLGMP-MRXNPFEDSA-N 1 3 294.483 3.331 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2CF)[C@@H](C)C1 ZINC000930001448 638967674 /nfs/dbraw/zinc/96/76/74/638967674.db2.gz VDNVOBYICUKWLI-WMLDXEAASA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2CF)[C@@H](C)C1 ZINC000930001448 638967676 /nfs/dbraw/zinc/96/76/76/638967676.db2.gz VDNVOBYICUKWLI-WMLDXEAASA-N 1 3 278.415 3.318 20 0 CGADHO CN(C)C1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000931357351 639140633 /nfs/dbraw/zinc/14/06/33/639140633.db2.gz VVFIREQBXOIDPN-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO C[NH+](C)C1(C)CCN(CC2CCC3(CC3)CC2)CC1 ZINC000931357351 639140639 /nfs/dbraw/zinc/14/06/39/639140639.db2.gz VVFIREQBXOIDPN-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@@H+]1C[C@@H]2CN(CCCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933739740 639484392 /nfs/dbraw/zinc/48/43/92/639484392.db2.gz BZTWHWRIIXGMLC-WBVHZDCISA-N 1 3 292.854 3.156 20 0 CGADHO C[N@H+]1C[C@@H]2CN(CCCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933739740 639484397 /nfs/dbraw/zinc/48/43/97/639484397.db2.gz BZTWHWRIIXGMLC-WBVHZDCISA-N 1 3 292.854 3.156 20 0 CGADHO CN(Cc1coc(-c2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000091846552 640724568 /nfs/dbraw/zinc/72/45/68/640724568.db2.gz DJLGDCXIADQDMA-UHFFFAOYSA-N 1 3 285.391 3.043 20 0 CGADHO [NH3+]CCOc1cccc(Nc2ccnc(C3CCC3)c2)c1 ZINC001159364295 806087516 /nfs/dbraw/zinc/08/75/16/806087516.db2.gz MSAMUSUSQVULJT-UHFFFAOYSA-N 1 3 283.375 3.430 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254454626 806406987 /nfs/dbraw/zinc/40/69/87/806406987.db2.gz DXOLGDCYPBXOEN-MOPGFXCFSA-N 1 3 286.463 3.396 20 0 CGADHO CN1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC001254497786 806419283 /nfs/dbraw/zinc/41/92/83/806419283.db2.gz MTAAPPUFGOCRCK-AWEZNQCLSA-N 1 3 270.779 3.053 20 0 CGADHO CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001254497015 806419497 /nfs/dbraw/zinc/41/94/97/806419497.db2.gz DSVKZRUQMQAYGK-GFCCVEGCSA-N 1 3 270.779 3.053 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522392 806439163 /nfs/dbraw/zinc/43/91/63/806439163.db2.gz FQUVCICXJXXQOG-RHSMWYFYSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@@H]2c2ccccc2F)CC1 ZINC001254522392 806439173 /nfs/dbraw/zinc/43/91/73/806439173.db2.gz FQUVCICXJXXQOG-RHSMWYFYSA-N 1 3 276.399 3.447 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254529825 806443286 /nfs/dbraw/zinc/44/32/86/806443286.db2.gz RIYDAPKJGKBZBL-IAGOWNOFSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529825 806443289 /nfs/dbraw/zinc/44/32/89/806443289.db2.gz RIYDAPKJGKBZBL-IAGOWNOFSA-N 1 3 273.424 3.011 20 0 CGADHO C[C@@H](N)c1ccn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255393560 806633278 /nfs/dbraw/zinc/63/32/78/806633278.db2.gz OVIDAOGQIBUVCL-NVXWUHKLSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@@H](N)c1ccn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393560 806633282 /nfs/dbraw/zinc/63/32/82/806633282.db2.gz OVIDAOGQIBUVCL-NVXWUHKLSA-N 1 3 298.434 3.130 20 0 CGADHO c1cc2c(s1)[C@H](Nc1ccc([C@H]3CCC[NH2+]3)cc1)CNC2 ZINC001163227983 806730761 /nfs/dbraw/zinc/73/07/61/806730761.db2.gz GDRCCHVEBLQNJP-HZPDHXFCSA-N 1 3 299.443 3.429 20 0 CGADHO c1cc2c(s1)[C@@H](Nc1ccc([C@@H]3CCC[NH2+]3)cc1)CNC2 ZINC001163227982 806730780 /nfs/dbraw/zinc/73/07/80/806730780.db2.gz GDRCCHVEBLQNJP-HOTGVXAUSA-N 1 3 299.443 3.429 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C[C@H](C)N1 ZINC000385909280 799428987 /nfs/dbraw/zinc/42/89/87/799428987.db2.gz GBXGLACLDAURGT-HGKCTWBKSA-N 1 3 286.463 3.470 20 0 CGADHO CCOc1cccc(CC[NH2+][C@H](C)CCN(CC)CC)c1 ZINC001255944397 806791077 /nfs/dbraw/zinc/79/10/77/806791077.db2.gz VVIPHHGSDYWLDB-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCSCc1ccco1 ZINC001255943655 806791668 /nfs/dbraw/zinc/79/16/68/806791668.db2.gz PKPXDCPBWWFKPA-AWEZNQCLSA-N 1 3 284.469 3.223 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCSCc1ccco1 ZINC001255943655 806791673 /nfs/dbraw/zinc/79/16/73/806791673.db2.gz PKPXDCPBWWFKPA-AWEZNQCLSA-N 1 3 284.469 3.223 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC(C)(C)C1)C1CCCCC1 ZINC000709333516 800006827 /nfs/dbraw/zinc/00/68/27/800006827.db2.gz VEOYPBSTQQVAFL-GJZGRUSLSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850056 800020449 /nfs/dbraw/zinc/02/04/49/800020449.db2.gz MWDQSQNKOVSVRZ-BFYDXBDKSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850056 800020456 /nfs/dbraw/zinc/02/04/56/800020456.db2.gz MWDQSQNKOVSVRZ-BFYDXBDKSA-N 1 3 264.457 3.277 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000710324822 800033437 /nfs/dbraw/zinc/03/34/37/800033437.db2.gz IZADTFJFVNAJSS-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO [NH3+][C@H]1C[C@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ccccc21 ZINC000712378467 800085328 /nfs/dbraw/zinc/08/53/28/800085328.db2.gz PMRZSGJOZBCMIN-XBJNOIPFSA-N 1 3 256.393 3.300 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000715558526 800138682 /nfs/dbraw/zinc/13/86/82/800138682.db2.gz OOAUHKRULXFMHZ-STQMWFEESA-N 1 3 260.372 3.027 20 0 CGADHO CC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716718477 800179160 /nfs/dbraw/zinc/17/91/60/800179160.db2.gz OPBWCCLZCUDPOG-BZSNNMDCSA-N 1 3 284.447 3.429 20 0 CGADHO Cc1c(C)n(-c2nccc3c2CCN3)c2ccc(C[NH3+])cc12 ZINC001163755547 806817983 /nfs/dbraw/zinc/81/79/83/806817983.db2.gz GVVWUJKYWRTOOJ-UHFFFAOYSA-N 1 3 292.386 3.069 20 0 CGADHO C[C@H](N)c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521118 806908985 /nfs/dbraw/zinc/90/89/85/806908985.db2.gz ZUNCAQTVRVPOEB-VYDXJSESSA-N 1 3 298.434 3.128 20 0 CGADHO C[C@H](N)c1nccn1[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521118 806908990 /nfs/dbraw/zinc/90/89/90/806908990.db2.gz ZUNCAQTVRVPOEB-VYDXJSESSA-N 1 3 298.434 3.128 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001256616533 806926440 /nfs/dbraw/zinc/92/64/40/806926440.db2.gz UXSVYCHMRZAAFU-UCMJJCQDSA-N 1 3 286.419 3.033 20 0 CGADHO CCC[NH+]1CCC(Nc2c(C)cnc3ccccc32)CC1 ZINC001116269346 802320666 /nfs/dbraw/zinc/32/06/66/802320666.db2.gz MIYPMUDNPFEWLQ-UHFFFAOYSA-N 1 3 283.419 3.251 20 0 CGADHO CC[N@H+](CCNc1ccnc2cc(OC)ccc21)C1CC1 ZINC001116292794 802325913 /nfs/dbraw/zinc/32/59/13/802325913.db2.gz FGEGALVEQFJHFN-UHFFFAOYSA-N 1 3 285.391 3.140 20 0 CGADHO CC[N@@H+](CCNc1ccnc2cc(OC)ccc21)C1CC1 ZINC001116292794 802325921 /nfs/dbraw/zinc/32/59/21/802325921.db2.gz FGEGALVEQFJHFN-UHFFFAOYSA-N 1 3 285.391 3.140 20 0 CGADHO CCN(C)C1CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172382444 808275528 /nfs/dbraw/zinc/27/55/28/808275528.db2.gz LGKAJHCHGBBQJS-IIAWOOMASA-N 1 3 252.446 3.227 20 0 CGADHO CCOc1cccc(F)c1CNCCC1CC[NH+](C)CC1 ZINC001119028543 802628639 /nfs/dbraw/zinc/62/86/39/802628639.db2.gz OJTLBKLFLGUXLY-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO Cc1ccc2nc(C[NH+]3CCC4(CN(C)C4)CC3)ccc2c1 ZINC001137217451 803698819 /nfs/dbraw/zinc/69/88/19/803698819.db2.gz YWJUKWDCLMOXJA-UHFFFAOYSA-N 1 3 295.430 3.071 20 0 CGADHO [NH3+]Cc1cnccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001245561384 803814317 /nfs/dbraw/zinc/81/43/17/803814317.db2.gz UCSCWYPEHWXUKT-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO CN(C)Cc1cncc(-c2ccc(C(C)(C)[NH3+])cc2)c1 ZINC001245909083 804036685 /nfs/dbraw/zinc/03/66/85/804036685.db2.gz HMDDMCLHPJYBGE-UHFFFAOYSA-N 1 3 269.392 3.004 20 0 CGADHO CC(C)([NH3+])c1ccc(-c2ccc3[nH]c(N)nc3c2)cc1 ZINC001245909435 804037000 /nfs/dbraw/zinc/03/70/00/804037000.db2.gz OSBZYEVDQTUGPC-UHFFFAOYSA-N 1 3 266.348 3.006 20 0 CGADHO CC(C)([NH3+])c1ccc(-c2ccc3nc(N)[nH]c3c2)cc1 ZINC001245909435 804037010 /nfs/dbraw/zinc/03/70/10/804037010.db2.gz OSBZYEVDQTUGPC-UHFFFAOYSA-N 1 3 266.348 3.006 20 0 CGADHO Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246078840 804116146 /nfs/dbraw/zinc/11/61/46/804116146.db2.gz MZNXWTZKOWRSMP-CYBMUJFWSA-N 1 3 299.245 3.192 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2)CCN1 ZINC001246094075 804126984 /nfs/dbraw/zinc/12/69/84/804126984.db2.gz FUCBQRGVMVSVKD-ROUUACIJSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccc(C)cc2)CC[NH2+]1 ZINC001246094075 804126988 /nfs/dbraw/zinc/12/69/88/804126988.db2.gz FUCBQRGVMVSVKD-ROUUACIJSA-N 1 3 274.452 3.438 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246101814 804135082 /nfs/dbraw/zinc/13/50/82/804135082.db2.gz MMOBNHRKSAEKGX-WKPIXPDZSA-N 1 3 284.806 3.270 20 0 CGADHO C[C@H]1NCC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246102472 804135957 /nfs/dbraw/zinc/13/59/57/804135957.db2.gz OYUBDXBOPPHEEX-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)CCC[C@H](C)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107951 804140358 /nfs/dbraw/zinc/14/03/58/804140358.db2.gz BMOALPJWISUDLI-STQMWFEESA-N 1 3 280.378 3.333 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)CCN1 ZINC001246110548 804141900 /nfs/dbraw/zinc/14/19/00/804141900.db2.gz MITNXPILCFSOBY-HIFRSBDPSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@@H]1CCC[NH2+][C@H]1C ZINC001246114816 804146315 /nfs/dbraw/zinc/14/63/15/804146315.db2.gz XSSQPVKIZINBJP-RDBSUJKOSA-N 1 3 296.455 3.284 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246118285 804149481 /nfs/dbraw/zinc/14/94/81/804149481.db2.gz PHZOHSUTACKZJA-KBAYOESNSA-N 1 3 274.452 3.231 20 0 CGADHO F[C@@]1(CNC2CCCCCCC2)CCCC[NH2+]C1 ZINC001246117024 804149519 /nfs/dbraw/zinc/14/95/19/804149519.db2.gz YWLWPUDVJFWKFW-HNNXBMFYSA-N 1 3 256.409 3.171 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@H]1C[NH2+]CC[C@@H]1C ZINC001246118029 804149615 /nfs/dbraw/zinc/14/96/15/804149615.db2.gz DUBMDOVRQUFBSH-YNEHKIRRSA-N 1 3 298.833 3.245 20 0 CGADHO CCCCCC[C@H](CCCC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246137331 804160678 /nfs/dbraw/zinc/16/06/78/804160678.db2.gz IIRKQWCTUGKXCV-DLBZAZTESA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC[C@H](CCCC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246137331 804160681 /nfs/dbraw/zinc/16/06/81/804160681.db2.gz IIRKQWCTUGKXCV-DLBZAZTESA-N 1 3 296.499 3.484 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(F)CCNC1 ZINC001246138729 804162410 /nfs/dbraw/zinc/16/24/10/804162410.db2.gz BTUGIIDEWXIIGS-DLBZAZTESA-N 1 3 278.415 3.079 20 0 CGADHO Clc1ccc(C2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246148469 804169194 /nfs/dbraw/zinc/16/91/94/804169194.db2.gz NKEKXOKGFSRWKK-OEBNTDPQSA-N 1 3 290.838 3.174 20 0 CGADHO C([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)C12CC3CC(CC(C3)C1)C2 ZINC001246173230 804188074 /nfs/dbraw/zinc/18/80/74/804188074.db2.gz RKUNNABMOAZVPN-NAKGGRRYSA-N 1 3 288.479 3.466 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246220669 804215111 /nfs/dbraw/zinc/21/51/11/804215111.db2.gz LJVDYXUNOHVRQG-ZOUAZZMLSA-N 1 3 299.245 3.122 20 0 CGADHO CC[C@@H]1CC(NCCc2ccc(OC)cc2)C[C@@H](CC)[NH2+]1 ZINC001246234875 804226958 /nfs/dbraw/zinc/22/69/58/804226958.db2.gz OTTQYHQKACJEGP-HZPDHXFCSA-N 1 3 290.451 3.137 20 0 CGADHO CCCCOCCC[NH2+][C@H]1CCN[C@@H](CCCC)C1 ZINC001246236005 804228112 /nfs/dbraw/zinc/22/81/12/804228112.db2.gz UJTKAWKJBAIYJC-HOTGVXAUSA-N 1 3 270.461 3.094 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)C[C@H](C)N1 ZINC001246259070 804242977 /nfs/dbraw/zinc/24/29/77/804242977.db2.gz YXSKZBNAQUEGDS-RHJCGQNESA-N 1 3 264.457 3.464 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)C[C@H](C)N1 ZINC001246261789 804243563 /nfs/dbraw/zinc/24/35/63/804243563.db2.gz WNXAJRWFYIZHAS-YWVIFJGQSA-N 1 3 280.843 3.391 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCc3cc(F)cc(F)c3C2)CCCCC1 ZINC001246278197 804253246 /nfs/dbraw/zinc/25/32/46/804253246.db2.gz FGCMKVSUOUTXNE-CQSZACIVSA-N 1 3 294.389 3.073 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC001246333915 804289072 /nfs/dbraw/zinc/28/90/72/804289072.db2.gz RQUBCYMDKHPIMW-YHUYYLMFSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCNC(C)(C)C2)cc1 ZINC001246342419 804293692 /nfs/dbraw/zinc/29/36/92/804293692.db2.gz HYKXAGDQXLQPPQ-KRWDZBQOSA-N 1 3 274.452 3.473 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@@H]2CC[NH2+][C@H](C)C2)c1F ZINC001246342287 804294081 /nfs/dbraw/zinc/29/40/81/804294081.db2.gz HBRWPRAKFDYXOZ-VXGBXAGGSA-N 1 3 284.806 3.060 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCCCc2ccccc2)CCN1 ZINC001246341448 804295085 /nfs/dbraw/zinc/29/50/85/804295085.db2.gz LHZBIFWAXZFTDK-INIZCTEOSA-N 1 3 260.425 3.130 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC001246351023 804300292 /nfs/dbraw/zinc/30/02/92/804300292.db2.gz UCSRONRLNNCPDW-WNRNVDISSA-N 1 3 272.436 3.270 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCNCC1(C)C ZINC001246369912 804307649 /nfs/dbraw/zinc/30/76/49/804307649.db2.gz DNDGOZAMMAODTR-RRFJBIMHSA-N 1 3 254.462 3.425 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC001246376175 804311138 /nfs/dbraw/zinc/31/11/38/804311138.db2.gz MSFDNAQZIULQCR-DOTOQJQBSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCNCC2(C)C)CC1 ZINC001246375926 804311426 /nfs/dbraw/zinc/31/14/26/804311426.db2.gz KQWHNZYGQWUMTG-NRXISQOPSA-N 1 3 252.446 3.179 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246378658 804312293 /nfs/dbraw/zinc/31/22/93/804312293.db2.gz YDGUUIIUAPRPEE-CZUORRHYSA-N 1 3 292.854 3.175 20 0 CGADHO CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CCN[C@H](C)C1)C2 ZINC001246378997 804314594 /nfs/dbraw/zinc/31/45/94/804314594.db2.gz ISUSTGUURLEOBQ-FZKQIMNGSA-N 1 3 286.463 3.009 20 0 CGADHO Cc1ccc(CC2(C[NH2+][C@H]3CCNC(C)(C)C3)CC2)cc1 ZINC001246383774 804315396 /nfs/dbraw/zinc/31/53/96/804315396.db2.gz KLHQWRXBYLXXDV-KRWDZBQOSA-N 1 3 286.463 3.438 20 0 CGADHO CC(C)[C@H]1C[C@H](NC2(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246384151 804316678 /nfs/dbraw/zinc/31/66/78/804316678.db2.gz AIPPEYAHKGVTOE-IAGOWNOFSA-N 1 3 290.426 3.267 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2cccc(Cl)c2F)C[C@H](C)[NH2+]1 ZINC001246419991 804328361 /nfs/dbraw/zinc/32/83/61/804328361.db2.gz IEWYFOPWAJMGMH-PTEHBNRSSA-N 1 3 284.806 3.140 20 0 CGADHO CCC1([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCNCC1 ZINC001246425035 804330286 /nfs/dbraw/zinc/33/02/86/804330286.db2.gz VKHALBPJMXZPIK-CQSZACIVSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@H]1C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246433891 804332383 /nfs/dbraw/zinc/33/23/83/804332383.db2.gz KSJNNYZPURUTAG-DZGCQCFKSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)CCN1 ZINC001246433891 804332392 /nfs/dbraw/zinc/33/23/92/804332392.db2.gz KSJNNYZPURUTAG-DZGCQCFKSA-N 1 3 276.399 3.021 20 0 CGADHO CC[C@]1([NH2+]C2CCC(c3ccccc3)CC2)CCNC1 ZINC001246456480 804338520 /nfs/dbraw/zinc/33/85/20/804338520.db2.gz BDLJYLXDGUMEBL-ABHNRTSZSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H]1CCC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246458759 804339652 /nfs/dbraw/zinc/33/96/52/804339652.db2.gz BQOGZRMYVWZXJN-VNQPRFMTSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCNCC2)C1 ZINC001246460072 804341727 /nfs/dbraw/zinc/34/17/27/804341727.db2.gz MJJOODDVFVSAPN-RHSMWYFYSA-N 1 3 290.426 3.269 20 0 CGADHO CCCCCC(CCCCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246463620 804343767 /nfs/dbraw/zinc/34/37/67/804343767.db2.gz HFWATEBCBNDZFB-SJORKVTESA-N 1 3 284.488 3.482 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246463927 804343885 /nfs/dbraw/zinc/34/38/85/804343885.db2.gz UUAGYRHTCSJWRJ-ZJPYXAASSA-N 1 3 272.436 3.443 20 0 CGADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(F)c(C)c1 ZINC001246466804 804346564 /nfs/dbraw/zinc/34/65/64/804346564.db2.gz ACFSHXSVOJWDBC-ZBFHGGJFSA-N 1 3 264.388 3.317 20 0 CGADHO c1ccc2c(c1)NC[C@@H]2CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246472157 804348859 /nfs/dbraw/zinc/34/88/59/804348859.db2.gz DYZUKJDPTBGTCV-JKSUJKDBSA-N 1 3 299.462 3.240 20 0 CGADHO CCCCCC1CCC(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246472604 804349105 /nfs/dbraw/zinc/34/91/05/804349105.db2.gz HCHKSIYKAUBQCC-PCNFGOCFSA-N 1 3 276.468 3.489 20 0 CGADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1cc(C)cc(C)c1 ZINC001246472898 804350014 /nfs/dbraw/zinc/35/00/14/804350014.db2.gz FWNCCXMQVIPFJB-SJORKVTESA-N 1 3 260.425 3.486 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCNCC12CC2 ZINC001246474499 804350676 /nfs/dbraw/zinc/35/06/76/804350676.db2.gz QHDFBEMOIDPMIQ-XHDPSFHLSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[NH2+]CC12CC2 ZINC001246474499 804350685 /nfs/dbraw/zinc/35/06/85/804350685.db2.gz QHDFBEMOIDPMIQ-XHDPSFHLSA-N 1 3 296.817 3.142 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]C2[C@H](C)CC[C@H]2C)CCN1 ZINC001246492114 804358338 /nfs/dbraw/zinc/35/83/38/804358338.db2.gz ABAPPSJSAKSQDC-KBUPBQIOSA-N 1 3 252.446 3.321 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246493215 804359452 /nfs/dbraw/zinc/35/94/52/804359452.db2.gz AJFLYEGELCWSLP-UPJWGTAASA-N 1 3 299.245 3.191 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246493215 804359456 /nfs/dbraw/zinc/35/94/56/804359456.db2.gz AJFLYEGELCWSLP-UPJWGTAASA-N 1 3 299.245 3.191 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001246497368 804360302 /nfs/dbraw/zinc/36/03/02/804360302.db2.gz RLUAMAQLVIOOIT-GASCZTMLSA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)=CCC[C@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246496547 804360914 /nfs/dbraw/zinc/36/09/14/804360914.db2.gz UVBRDFFARPJVKH-HNNXBMFYSA-N 1 3 289.467 3.163 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCCNC1 ZINC001246496499 804361291 /nfs/dbraw/zinc/36/12/91/804361291.db2.gz JPYLDVYJDBOQQX-DOTOQJQBSA-N 1 3 258.409 3.186 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C2CCc3ccccc3CC2)CCN1 ZINC001246514726 804369028 /nfs/dbraw/zinc/36/90/28/804369028.db2.gz KRTMLJJISFDQTK-KRWDZBQOSA-N 1 3 272.436 3.054 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246544695 804394266 /nfs/dbraw/zinc/39/42/66/804394266.db2.gz RYDYRBUSHPOTDC-MXASKKJJSA-N 1 3 258.409 3.134 20 0 CGADHO C[C@@H]1CC(N2Cc3ccccc3[C@H](C)C2)C[C@@H](C)[NH2+]1 ZINC001246548742 804399317 /nfs/dbraw/zinc/39/93/17/804399317.db2.gz OIGIEGMGOVQVNV-MGPQQGTHSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CC([N@H+]2Cc3ccccc3[C@H](C)C2)C[C@@H](C)N1 ZINC001246548742 804399325 /nfs/dbraw/zinc/39/93/25/804399325.db2.gz OIGIEGMGOVQVNV-MGPQQGTHSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CC([N@@H+]2Cc3ccccc3[C@H](C)C2)C[C@@H](C)N1 ZINC001246548742 804399333 /nfs/dbraw/zinc/39/93/33/804399333.db2.gz OIGIEGMGOVQVNV-MGPQQGTHSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246551457 804400864 /nfs/dbraw/zinc/40/08/64/804400864.db2.gz RYDYRBUSHPOTDC-BSWAZPDLSA-N 1 3 258.409 3.134 20 0 CGADHO CCCCC[C@@H](CC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557017 804405753 /nfs/dbraw/zinc/40/57/53/804405753.db2.gz KJJUMQZQFQSWAX-QWHCGFSZSA-N 1 3 262.388 3.261 20 0 CGADHO CC(C)=CCC[C@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555467 804407019 /nfs/dbraw/zinc/40/70/19/804407019.db2.gz GTFLQKPCVFFXRZ-STQMWFEESA-N 1 3 260.372 3.037 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246586916 804430453 /nfs/dbraw/zinc/43/04/53/804430453.db2.gz QBSJSGXIKNDENJ-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246586916 804430457 /nfs/dbraw/zinc/43/04/57/804430457.db2.gz QBSJSGXIKNDENJ-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246605402 804441209 /nfs/dbraw/zinc/44/12/09/804441209.db2.gz BRDOFIFLMRJPNO-FQEVSTJZSA-N 1 3 298.474 3.400 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246605402 804441212 /nfs/dbraw/zinc/44/12/12/804441212.db2.gz BRDOFIFLMRJPNO-FQEVSTJZSA-N 1 3 298.474 3.400 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246608758 804443479 /nfs/dbraw/zinc/44/34/79/804443479.db2.gz JLVNASQKDLXPOB-IEBWSBKVSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246608758 804443484 /nfs/dbraw/zinc/44/34/84/804443484.db2.gz JLVNASQKDLXPOB-IEBWSBKVSA-N 1 3 284.447 3.070 20 0 CGADHO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246611378 804445205 /nfs/dbraw/zinc/44/52/05/804445205.db2.gz PFSQAQPDIRYKSY-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H](CC(C)C)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246611378 804445208 /nfs/dbraw/zinc/44/52/08/804445208.db2.gz PFSQAQPDIRYKSY-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246609803 804445713 /nfs/dbraw/zinc/44/57/13/804445713.db2.gz NLZHAUWYZBHQQM-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246609803 804445716 /nfs/dbraw/zinc/44/57/16/804445716.db2.gz NLZHAUWYZBHQQM-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](Cc1ccccc1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246612808 804446506 /nfs/dbraw/zinc/44/65/06/804446506.db2.gz XETRKIAZVWMOBQ-ZWKOTPCHSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246612808 804446512 /nfs/dbraw/zinc/44/65/12/804446512.db2.gz XETRKIAZVWMOBQ-ZWKOTPCHSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246612808 804446517 /nfs/dbraw/zinc/44/65/17/804446517.db2.gz XETRKIAZVWMOBQ-ZWKOTPCHSA-N 1 3 272.436 3.226 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCCC3(CCCC3)C2)C[C@@H](C)N1 ZINC001246615138 804450152 /nfs/dbraw/zinc/45/01/52/804450152.db2.gz QGOVDPLDWHRROG-ZIAGYGMSSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CC([N@H+]2CCCC3(CCCC3)C2)C[C@@H](C)N1 ZINC001246615138 804450154 /nfs/dbraw/zinc/45/01/54/804450154.db2.gz QGOVDPLDWHRROG-ZIAGYGMSSA-N 1 3 250.430 3.172 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629411 804461391 /nfs/dbraw/zinc/46/13/91/804461391.db2.gz ZBNGBCWFAFOUKN-INDMIFKZSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([N@H+]3CC[C@H]4CNCC[C@H]43)C2)cc1 ZINC001246629411 804461394 /nfs/dbraw/zinc/46/13/94/804461394.db2.gz ZBNGBCWFAFOUKN-INDMIFKZSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631876 804462757 /nfs/dbraw/zinc/46/27/57/804462757.db2.gz UALHDKOMPQBZKS-XMTFNYHQSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631876 804462760 /nfs/dbraw/zinc/46/27/60/804462760.db2.gz UALHDKOMPQBZKS-XMTFNYHQSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631876 804462763 /nfs/dbraw/zinc/46/27/63/804462763.db2.gz UALHDKOMPQBZKS-XMTFNYHQSA-N 1 3 270.420 3.007 20 0 CGADHO CCCCN1CCC([N@H+](C)Cc2ccc(O)c(C)c2)CC1 ZINC001140579672 804466716 /nfs/dbraw/zinc/46/67/16/804466716.db2.gz CMBZPIKRTFCIFJ-UHFFFAOYSA-N 1 3 290.451 3.397 20 0 CGADHO CCCCN1CCC([N@@H+](C)Cc2ccc(O)c(C)c2)CC1 ZINC001140579672 804466720 /nfs/dbraw/zinc/46/67/20/804466720.db2.gz CMBZPIKRTFCIFJ-UHFFFAOYSA-N 1 3 290.451 3.397 20 0 CGADHO c1ccc2c(c1)CCC21CCC(N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246643834 804470374 /nfs/dbraw/zinc/47/03/74/804470374.db2.gz DLAMKJHODISYQN-AILXTGBUSA-N 1 3 296.458 3.107 20 0 CGADHO CC1(C)CCC[C@@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246645280 804471933 /nfs/dbraw/zinc/47/19/33/804471933.db2.gz UTIUPJPHHFAMTQ-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)[C@@H]2C[C@@H](N3CCCC[C@@]34CCC[NH2+]C4)C[C@@H]21 ZINC001246653090 804479331 /nfs/dbraw/zinc/47/93/31/804479331.db2.gz QXUWEEGCWXAPQB-MPTYRVRUSA-N 1 3 262.441 3.029 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCCC[C@@]34CCCNC4)C[C@@H]21 ZINC001246653090 804479335 /nfs/dbraw/zinc/47/93/35/804479335.db2.gz QXUWEEGCWXAPQB-MPTYRVRUSA-N 1 3 262.441 3.029 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@@]34CCCNC4)C[C@@H]21 ZINC001246653090 804479337 /nfs/dbraw/zinc/47/93/37/804479337.db2.gz QXUWEEGCWXAPQB-MPTYRVRUSA-N 1 3 262.441 3.029 20 0 CGADHO C[NH+]1CCC2(CN(Cc3csc4ccccc34)C2)CC1 ZINC001140639343 804480167 /nfs/dbraw/zinc/48/01/67/804480167.db2.gz VVVDLNYNGIKNKJ-UHFFFAOYSA-N 1 3 286.444 3.429 20 0 CGADHO C[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654190 804480546 /nfs/dbraw/zinc/48/05/46/804480546.db2.gz VNXMPKVBHNJTNV-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246654190 804480550 /nfs/dbraw/zinc/48/05/50/804480550.db2.gz VNXMPKVBHNJTNV-PMPSAXMXSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@H](CCC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656830 804481880 /nfs/dbraw/zinc/48/18/80/804481880.db2.gz NWTKSPNBVRPJPW-IHRRRGAJSA-N 1 3 292.389 3.429 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656830 804481886 /nfs/dbraw/zinc/48/18/86/804481886.db2.gz NWTKSPNBVRPJPW-IHRRRGAJSA-N 1 3 292.389 3.429 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656830 804481892 /nfs/dbraw/zinc/48/18/92/804481892.db2.gz NWTKSPNBVRPJPW-IHRRRGAJSA-N 1 3 292.389 3.429 20 0 CGADHO CCCCCC[C@H](CCCC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660582 804483345 /nfs/dbraw/zinc/48/33/45/804483345.db2.gz VMROXUMCHYXIES-CAOSSQGBSA-N 1 3 252.446 3.405 20 0 CGADHO CCCCCC[C@H](CCCC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660582 804483347 /nfs/dbraw/zinc/48/33/47/804483347.db2.gz VMROXUMCHYXIES-CAOSSQGBSA-N 1 3 252.446 3.405 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@@H+](C1CCCCCCC1)C2 ZINC001246690646 804497629 /nfs/dbraw/zinc/49/76/29/804497629.db2.gz KYBIPEPOZMBTIR-JKSUJKDBSA-N 1 3 268.420 3.123 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@H+](C1CCCCCCC1)C2 ZINC001246690646 804497632 /nfs/dbraw/zinc/49/76/32/804497632.db2.gz KYBIPEPOZMBTIR-JKSUJKDBSA-N 1 3 268.420 3.123 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC2(CCc3ccc(C)cc32)CC1 ZINC001246745102 804501193 /nfs/dbraw/zinc/50/11/93/804501193.db2.gz DXFTZJPCCDFJMK-INIZCTEOSA-N 1 3 286.463 3.273 20 0 CGADHO COc1ccc([C@@H]2CCCN2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246783476 804509407 /nfs/dbraw/zinc/50/94/07/804509407.db2.gz ZAEQZBVDQVIOOH-RDJZCZTQSA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCNC(C)(C)C2)cc1 ZINC001246783476 804509413 /nfs/dbraw/zinc/50/94/13/804509413.db2.gz ZAEQZBVDQVIOOH-RDJZCZTQSA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCNC(C)(C)C2)cc1 ZINC001246783476 804509419 /nfs/dbraw/zinc/50/94/19/804509419.db2.gz ZAEQZBVDQVIOOH-RDJZCZTQSA-N 1 3 288.435 3.363 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783582 804510239 /nfs/dbraw/zinc/51/02/39/804510239.db2.gz PIJZFGRRKWDACY-CKMBUZLOSA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783582 804510248 /nfs/dbraw/zinc/51/02/48/804510248.db2.gz PIJZFGRRKWDACY-CKMBUZLOSA-N 1 3 276.468 3.418 20 0 CGADHO NC[C@@H]1CCC[N@@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246783010 804510480 /nfs/dbraw/zinc/51/04/80/804510480.db2.gz VHVPLALYZYXJLI-XBMUEBEBSA-N 1 3 286.463 3.459 20 0 CGADHO NC[C@@H]1CCC[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246783010 804510485 /nfs/dbraw/zinc/51/04/85/804510485.db2.gz VHVPLALYZYXJLI-XBMUEBEBSA-N 1 3 286.463 3.459 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCC[C@H](C)[C@@H]2C)C[C@@H](CC)N1 ZINC001246790333 804513032 /nfs/dbraw/zinc/51/30/32/804513032.db2.gz NOSVVZHEPQNIGX-BYNSBNAKSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCC[C@H](C)[C@@H]2C)C[C@@H](CC)N1 ZINC001246790333 804513039 /nfs/dbraw/zinc/51/30/39/804513039.db2.gz NOSVVZHEPQNIGX-BYNSBNAKSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C)[C@H]2C)C[C@H](CC)N1 ZINC001246790346 804513794 /nfs/dbraw/zinc/51/37/94/804513794.db2.gz NOSVVZHEPQNIGX-NPJQDHAYSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)[C@H]2C)C[C@H](CC)N1 ZINC001246790346 804513798 /nfs/dbraw/zinc/51/37/98/804513798.db2.gz NOSVVZHEPQNIGX-NPJQDHAYSA-N 1 3 252.446 3.416 20 0 CGADHO CN(Cc1cccc(Cl)c1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246809918 804526386 /nfs/dbraw/zinc/52/63/86/804526386.db2.gz JONGNZWNTPCWPZ-ITGUQSILSA-N 1 3 299.245 3.423 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246842527 804550670 /nfs/dbraw/zinc/55/06/70/804550670.db2.gz CFLHLJIRAOEZKC-XUWVNRHRSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246842527 804550674 /nfs/dbraw/zinc/55/06/74/804550674.db2.gz CFLHLJIRAOEZKC-XUWVNRHRSA-N 1 3 264.457 3.275 20 0 CGADHO C[N@H+](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246843564 804552645 /nfs/dbraw/zinc/55/26/45/804552645.db2.gz DKBIZDMKIIYNHS-ZSHCYNCHSA-N 1 3 250.430 3.172 20 0 CGADHO C[N@@H+](CC1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246843564 804552649 /nfs/dbraw/zinc/55/26/49/804552649.db2.gz DKBIZDMKIIYNHS-ZSHCYNCHSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001246844616 804553424 /nfs/dbraw/zinc/55/34/24/804553424.db2.gz ZSWJPPWMFIQCPN-ZIAGYGMSSA-N 1 3 280.843 3.202 20 0 CGADHO c1ccc([C@@H]2CCC[N@@H+](C3CCNCC3)CC2)cc1 ZINC001246848126 804558262 /nfs/dbraw/zinc/55/82/62/804558262.db2.gz WFOSAPGKMIDVAH-MRXNPFEDSA-N 1 3 258.409 3.008 20 0 CGADHO c1ccc([C@@H]2CCC[N@H+](C3CCNCC3)CC2)cc1 ZINC001246848126 804558267 /nfs/dbraw/zinc/55/82/67/804558267.db2.gz WFOSAPGKMIDVAH-MRXNPFEDSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H]1Cc2ccccc2CN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875326 804574704 /nfs/dbraw/zinc/57/47/04/804574704.db2.gz ZZMOZGIKHNQCBS-WMLDXEAASA-N 1 3 270.420 3.108 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246875326 804574711 /nfs/dbraw/zinc/57/47/11/804574711.db2.gz ZZMOZGIKHNQCBS-WMLDXEAASA-N 1 3 270.420 3.108 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246875326 804574718 /nfs/dbraw/zinc/57/47/18/804574718.db2.gz ZZMOZGIKHNQCBS-WMLDXEAASA-N 1 3 270.420 3.108 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH+]1CCCNCCC1 ZINC001246907768 804591159 /nfs/dbraw/zinc/59/11/59/804591159.db2.gz VNYXLZBPPGKCGV-GOSISDBHSA-N 1 3 274.452 3.473 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001246941414 804611132 /nfs/dbraw/zinc/61/11/32/804611132.db2.gz JVSAOFXCLZVMFG-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CSc2ccccc2C1 ZINC001246997157 804632678 /nfs/dbraw/zinc/63/26/78/804632678.db2.gz VOVFNASMBFKEPF-HOCLYGCPSA-N 1 3 290.476 3.025 20 0 CGADHO Cc1nc2ccc(NCC[C@@H]3CCC[N@@H+](C)C3)cc2[nH]1 ZINC001165279572 806986319 /nfs/dbraw/zinc/98/63/19/806986319.db2.gz WDZPPVSLXZFRLV-ZDUSSCGKSA-N 1 3 272.396 3.015 20 0 CGADHO Cc1nc2ccc(NCC[C@@H]3CCC[N@H+](C)C3)cc2[nH]1 ZINC001165279572 806986321 /nfs/dbraw/zinc/98/63/21/806986321.db2.gz WDZPPVSLXZFRLV-ZDUSSCGKSA-N 1 3 272.396 3.015 20 0 CGADHO CC(C)[NH+]1CCC(N2CC[C@H](C)C(F)(F)CC2)CC1 ZINC001257214835 807061958 /nfs/dbraw/zinc/06/19/58/807061958.db2.gz MWNCBVKGNVMIFH-ZDUSSCGKSA-N 1 3 274.399 3.226 20 0 CGADHO CCC[C@H](C)N1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001257312318 807101037 /nfs/dbraw/zinc/10/10/37/807101037.db2.gz CCTRCGCVPXDJMY-AWEZNQCLSA-N 1 3 276.424 3.134 20 0 CGADHO CCC[C@H](C)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001257312499 807101144 /nfs/dbraw/zinc/10/11/44/807101144.db2.gz XSDRCIDPMYEURW-ZDUSSCGKSA-N 1 3 264.388 3.264 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN(C[C@H]2CC=CCC2)CC1 ZINC001257436387 807155634 /nfs/dbraw/zinc/15/56/34/807155634.db2.gz OHIWCBMBZCBVAM-GJZGRUSLSA-N 1 3 250.430 3.195 20 0 CGADHO CCCCC[C@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001257519926 807192963 /nfs/dbraw/zinc/19/29/63/807192963.db2.gz PUVBUFIPOQAPRD-INIZCTEOSA-N 1 3 275.440 3.481 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1cccnc1 ZINC001258003849 807263619 /nfs/dbraw/zinc/26/36/19/807263619.db2.gz VWLUCWXKASMHCE-QGZVFWFLSA-N 1 3 275.440 3.243 20 0 CGADHO C[N@H+](CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995857 807295142 /nfs/dbraw/zinc/29/51/42/807295142.db2.gz SOPZHMLECSFSPG-XYPWUTKMSA-N 1 3 264.457 3.370 20 0 CGADHO C[N@@H+](CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995857 807295145 /nfs/dbraw/zinc/29/51/45/807295145.db2.gz SOPZHMLECSFSPG-XYPWUTKMSA-N 1 3 264.457 3.370 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2ccco2)CC1 ZINC001258197833 807358046 /nfs/dbraw/zinc/35/80/46/807358046.db2.gz SHWSECRYKDKTSK-OAHLLOKOSA-N 1 3 278.440 3.407 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(F)c1 ZINC001168356329 807392631 /nfs/dbraw/zinc/39/26/31/807392631.db2.gz OYAVSQMGAVETIU-CYBMUJFWSA-N 1 3 276.399 3.351 20 0 CGADHO c1cc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2o1 ZINC001168363369 807393485 /nfs/dbraw/zinc/39/34/85/807393485.db2.gz YVXYJIQAQCNMBR-UHFFFAOYSA-N 1 3 284.403 3.397 20 0 CGADHO CN([C@H]1CCc2ccccc21)C1CC[NH+](CC2CC2)CC1 ZINC001168398812 807404613 /nfs/dbraw/zinc/40/46/13/807404613.db2.gz WBFGVYUMYMLFCN-IBGZPJMESA-N 1 3 284.447 3.480 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@@H](N)C1 ZINC001258303660 807404865 /nfs/dbraw/zinc/40/48/65/807404865.db2.gz VZEHVNFPZQTRGX-UONOGXRCSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H](N)C1 ZINC001258303660 807404870 /nfs/dbraw/zinc/40/48/70/807404870.db2.gz VZEHVNFPZQTRGX-UONOGXRCSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001258454672 807460353 /nfs/dbraw/zinc/46/03/53/807460353.db2.gz NXQCEOADNGGLDA-HNNXBMFYSA-N 1 3 287.451 3.072 20 0 CGADHO CC[NH+](CC)C1CCN([C@H]2CCC(C)(C)C2)CC1 ZINC001258604299 807502387 /nfs/dbraw/zinc/50/23/87/807502387.db2.gz ANHVDYGTGSEEAG-HNNXBMFYSA-N 1 3 252.446 3.371 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCc3ccccc31)C2 ZINC001169077862 807567535 /nfs/dbraw/zinc/56/75/35/807567535.db2.gz AUPBXWPCZMUDAS-XLMAVXFVSA-N 1 3 270.420 3.279 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCc3ccccc31)C2 ZINC001169077862 807567541 /nfs/dbraw/zinc/56/75/41/807567541.db2.gz AUPBXWPCZMUDAS-XLMAVXFVSA-N 1 3 270.420 3.279 20 0 CGADHO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC001169091751 807570885 /nfs/dbraw/zinc/57/08/85/807570885.db2.gz UUSWFBAPFUCHNI-BTTYYORXSA-N 1 3 294.826 3.063 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1C(F)F)C2 ZINC001169096170 807573723 /nfs/dbraw/zinc/57/37/23/807573723.db2.gz VKODNOXFKHYEAW-ZSOGYDGISA-N 1 3 280.362 3.339 20 0 CGADHO C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125404 807586225 /nfs/dbraw/zinc/58/62/25/807586225.db2.gz HSYWMASORLTTRP-MXASKKJJSA-N 1 3 270.420 3.231 20 0 CGADHO C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125404 807586227 /nfs/dbraw/zinc/58/62/27/807586227.db2.gz HSYWMASORLTTRP-MXASKKJJSA-N 1 3 270.420 3.231 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001258768491 807603867 /nfs/dbraw/zinc/60/38/67/807603867.db2.gz OLDRVPYYMDGEOB-IAGOWNOFSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[NH+]1CCC(N)(CCOC)CC1 ZINC001258788017 807612877 /nfs/dbraw/zinc/61/28/77/807612877.db2.gz YFSVXEMQDVGLFN-CABCVRRESA-N 1 3 270.461 3.031 20 0 CGADHO C[C@H]1CCC[C@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001258826301 807639952 /nfs/dbraw/zinc/63/99/52/807639952.db2.gz CLAXOSGXWTYCQT-BBRMVZONSA-N 1 3 250.430 3.124 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([N@H+](C)C3CCOCC3)CC2)C1 ZINC001258825441 807640355 /nfs/dbraw/zinc/64/03/55/807640355.db2.gz CSKUGEMPKBDDNL-YJBOKZPZSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825441 807640358 /nfs/dbraw/zinc/64/03/58/807640358.db2.gz CSKUGEMPKBDDNL-YJBOKZPZSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001170113443 807761288 /nfs/dbraw/zinc/76/12/88/807761288.db2.gz PEWMGOFMURINGS-INMHGKMJSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001170113443 807761295 /nfs/dbraw/zinc/76/12/95/807761295.db2.gz PEWMGOFMURINGS-INMHGKMJSA-N 1 3 260.425 3.272 20 0 CGADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC001261836579 807793128 /nfs/dbraw/zinc/79/31/28/807793128.db2.gz GZOACQSYZJZZBD-RHSMWYFYSA-N 1 3 290.426 3.393 20 0 CGADHO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCCNC1 ZINC001261836579 807793133 /nfs/dbraw/zinc/79/31/33/807793133.db2.gz GZOACQSYZJZZBD-RHSMWYFYSA-N 1 3 290.426 3.393 20 0 CGADHO Cc1ccc(N[C@@H](N)CCC[NH3+])cc1-c1ccccc1 ZINC001170903849 807929173 /nfs/dbraw/zinc/92/91/73/807929173.db2.gz LSPLKHIQQIYVCP-QGZVFWFLSA-N 1 3 269.392 3.098 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147968 807997440 /nfs/dbraw/zinc/99/74/40/807997440.db2.gz BFIVAKRCJJFXHQ-TUKIKUTGSA-N 1 3 299.245 3.320 20 0 CGADHO CO[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171639751 808110809 /nfs/dbraw/zinc/11/08/09/808110809.db2.gz RSGIOFNCSLUCFV-HNNXBMFYSA-N 1 3 282.472 3.139 20 0 CGADHO CO[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171639751 808110815 /nfs/dbraw/zinc/11/08/15/808110815.db2.gz RSGIOFNCSLUCFV-HNNXBMFYSA-N 1 3 282.472 3.139 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171773386 808134319 /nfs/dbraw/zinc/13/43/19/808134319.db2.gz KHYPRMISHQJQDY-MRXNPFEDSA-N 1 3 290.426 3.005 20 0 CGADHO CC1CC[NH+](CCCN[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171773386 808134326 /nfs/dbraw/zinc/13/43/26/808134326.db2.gz KHYPRMISHQJQDY-MRXNPFEDSA-N 1 3 290.426 3.005 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC001172098490 808170453 /nfs/dbraw/zinc/17/04/53/808170453.db2.gz ACWZBGMDMGRZKL-BTTYYORXSA-N 1 3 280.362 3.070 20 0 CGADHO Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172099488 808171386 /nfs/dbraw/zinc/17/13/86/808171386.db2.gz IMBYAWISIQCMLH-OSYLJGHBSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172099488 808171390 /nfs/dbraw/zinc/17/13/90/808171390.db2.gz IMBYAWISIQCMLH-OSYLJGHBSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100622 808172319 /nfs/dbraw/zinc/17/23/19/808172319.db2.gz QQUPRUGPXLXQGQ-BJWYYQGGSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100622 808172323 /nfs/dbraw/zinc/17/23/23/808172323.db2.gz QQUPRUGPXLXQGQ-BJWYYQGGSA-N 1 3 258.409 3.100 20 0 CGADHO COc1cccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102820 808173935 /nfs/dbraw/zinc/17/39/35/808173935.db2.gz PDOZUUSZWOFLSB-MXASKKJJSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102820 808173937 /nfs/dbraw/zinc/17/39/37/808173937.db2.gz PDOZUUSZWOFLSB-MXASKKJJSA-N 1 3 288.435 3.361 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106509 808177354 /nfs/dbraw/zinc/17/73/54/808177354.db2.gz PTKQLDJRQGMUCL-XLMAVXFVSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106509 808177356 /nfs/dbraw/zinc/17/73/56/808177356.db2.gz PTKQLDJRQGMUCL-XLMAVXFVSA-N 1 3 288.410 3.418 20 0 CGADHO COc1ccccc1C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120890 808184365 /nfs/dbraw/zinc/18/43/65/808184365.db2.gz GXGOZDAUXXDPKB-FVQHAEBGSA-N 1 3 288.435 3.142 20 0 CGADHO COc1ccccc1C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120890 808184366 /nfs/dbraw/zinc/18/43/66/808184366.db2.gz GXGOZDAUXXDPKB-FVQHAEBGSA-N 1 3 288.435 3.142 20 0 CGADHO CN(Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123252 808187146 /nfs/dbraw/zinc/18/71/46/808187146.db2.gz YUZSCHQBGGMQQP-WDNDVIMCSA-N 1 3 264.438 3.195 20 0 CGADHO CN(Cc1cccs1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123252 808187147 /nfs/dbraw/zinc/18/71/47/808187147.db2.gz YUZSCHQBGGMQQP-WDNDVIMCSA-N 1 3 264.438 3.195 20 0 CGADHO CC(C)OCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172432447 808310561 /nfs/dbraw/zinc/31/05/61/808310561.db2.gz AZZRFPCGQSPVIQ-CVEARBPZSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537867 808370212 /nfs/dbraw/zinc/37/02/12/808370212.db2.gz WWRCZNQEESYMMS-DJIMGWMZSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537867 808370220 /nfs/dbraw/zinc/37/02/20/808370220.db2.gz WWRCZNQEESYMMS-DJIMGWMZSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H](CN)C[N@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172819698 808444875 /nfs/dbraw/zinc/44/48/75/808444875.db2.gz JXVINMVXXLGZJJ-ZLPCBKJTSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172819698 808444879 /nfs/dbraw/zinc/44/48/79/808444879.db2.gz JXVINMVXXLGZJJ-ZLPCBKJTSA-N 1 3 274.452 3.315 20 0 CGADHO C(C1CC1)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275138231 808915909 /nfs/dbraw/zinc/91/59/09/808915909.db2.gz MRQFFDQRGDSYFW-KRWDZBQOSA-N 1 3 262.441 3.127 20 0 CGADHO C(C1CC1)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275138231 808915911 /nfs/dbraw/zinc/91/59/11/808915911.db2.gz MRQFFDQRGDSYFW-KRWDZBQOSA-N 1 3 262.441 3.127 20 0 CGADHO Cc1ccccc1CN1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001275278825 808925504 /nfs/dbraw/zinc/92/55/04/808925504.db2.gz PMBRWMWSTRAPMC-GOSISDBHSA-N 1 3 272.436 3.303 20 0 CGADHO Cc1ccccc1CN1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275278825 808925511 /nfs/dbraw/zinc/92/55/11/808925511.db2.gz PMBRWMWSTRAPMC-GOSISDBHSA-N 1 3 272.436 3.303 20 0 CGADHO C[N@@H+]1CCC2(C1)CCN(Cc1cc3ccccc3cn1)CC2 ZINC001275890700 808973658 /nfs/dbraw/zinc/97/36/58/808973658.db2.gz JIZWRHKRIGDCMJ-UHFFFAOYSA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC2(C1)CCN(Cc1cc3ccccc3cn1)CC2 ZINC001275890700 808973663 /nfs/dbraw/zinc/97/36/63/808973663.db2.gz JIZWRHKRIGDCMJ-UHFFFAOYSA-N 1 3 295.430 3.153 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275957018 808979649 /nfs/dbraw/zinc/97/96/49/808979649.db2.gz SAKJMOIPXQTOBD-UHFFFAOYSA-N 1 3 297.446 3.394 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC2(CC[N@H+](C)C2)CC1 ZINC001275957018 808979651 /nfs/dbraw/zinc/97/96/51/808979651.db2.gz SAKJMOIPXQTOBD-UHFFFAOYSA-N 1 3 297.446 3.394 20 0 CGADHO Cc1cncc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001276623611 809021534 /nfs/dbraw/zinc/02/15/34/809021534.db2.gz JEYHUMXNGNZJMB-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cc4ccccc4[nH]3)(C1)CCC2 ZINC001276791077 809030570 /nfs/dbraw/zinc/03/05/70/809030570.db2.gz XQADGLHJPLNMSZ-ZWKOTPCHSA-N 1 3 283.419 3.322 20 0 CGADHO C[C@H](CN(C)CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001184197914 810182225 /nfs/dbraw/zinc/18/22/25/810182225.db2.gz SOHYTQCMKJNCIU-OAHLLOKOSA-N 1 3 262.441 3.310 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)C12CCCCC2 ZINC001194092389 811014108 /nfs/dbraw/zinc/01/41/08/811014108.db2.gz OYNXHIPIYMXBBH-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(C)cc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC001197367797 811421513 /nfs/dbraw/zinc/42/15/13/811421513.db2.gz ASKCLZKOCXCZLA-KRWDZBQOSA-N 1 3 295.430 3.409 20 0 CGADHO CC(C)CC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201623867 811922606 /nfs/dbraw/zinc/92/26/06/811922606.db2.gz CDOLPSSGPKSTHS-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201623867 811922608 /nfs/dbraw/zinc/92/26/08/811922608.db2.gz CDOLPSSGPKSTHS-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO CSCCC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201689642 811937667 /nfs/dbraw/zinc/93/76/67/811937667.db2.gz BFQUQEMEVPWVRT-OAHLLOKOSA-N 1 3 270.486 3.080 20 0 CGADHO CSCCC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201689642 811937671 /nfs/dbraw/zinc/93/76/71/811937671.db2.gz BFQUQEMEVPWVRT-OAHLLOKOSA-N 1 3 270.486 3.080 20 0 CGADHO CCCCCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC001201756981 811960642 /nfs/dbraw/zinc/96/06/42/811960642.db2.gz QUJRZPAGOWDKIZ-UHFFFAOYSA-N 1 3 261.413 3.092 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cc(C)c(OC)cc1C ZINC001203758993 812456427 /nfs/dbraw/zinc/45/64/27/812456427.db2.gz UYDBAQVJCNWXNA-UHFFFAOYSA-N 1 3 292.467 3.476 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc3ccccc3c2)CC1 ZINC001205095546 812861265 /nfs/dbraw/zinc/86/12/65/812861265.db2.gz YQUOBRQWZOMQFB-KRWDZBQOSA-N 1 3 254.377 3.153 20 0 CGADHO Cc1ccc2c(c1)CN(Cc1cccc(C[NH3+])c1)CC2 ZINC001205164257 812893878 /nfs/dbraw/zinc/89/38/78/812893878.db2.gz BRZCPTJPOFWSJR-UHFFFAOYSA-N 1 3 266.388 3.012 20 0 CGADHO CCCc1ccc(CN2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205264320 812921321 /nfs/dbraw/zinc/92/13/21/812921321.db2.gz KJJSFSJDVQOKRL-OAHLLOKOSA-N 1 3 266.454 3.404 20 0 CGADHO CCCc1ccc(CN2CCC[C@](C)([NH3+])CC2)s1 ZINC001205264319 812921617 /nfs/dbraw/zinc/92/16/17/812921617.db2.gz KJJSFSJDVQOKRL-HNNXBMFYSA-N 1 3 266.454 3.404 20 0 CGADHO CC(C)COc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205274383 812925755 /nfs/dbraw/zinc/92/57/55/812925755.db2.gz WROZVUFOIXRNEL-SFHVURJKSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@H]1CCN(Cc2cccc3sccc32)C[C@H]1C[NH3+] ZINC001205318545 812950441 /nfs/dbraw/zinc/95/04/41/812950441.db2.gz VWLNGTJRPVJFQO-GXTWGEPZSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205618498 813029287 /nfs/dbraw/zinc/02/92/87/813029287.db2.gz WQDTYBXMLYEDJL-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001205902801 813124378 /nfs/dbraw/zinc/12/43/78/813124378.db2.gz LURBVIZIIAUKPP-FZKCQIBNSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001205902801 813124381 /nfs/dbraw/zinc/12/43/81/813124381.db2.gz LURBVIZIIAUKPP-FZKCQIBNSA-N 1 3 250.430 3.038 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCCc1cccc(Cl)c1 ZINC001205904156 813126216 /nfs/dbraw/zinc/12/62/16/813126216.db2.gz SKWTWFZLTMLOOT-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCCc1cccc(Cl)c1 ZINC001205904156 813126219 /nfs/dbraw/zinc/12/62/19/813126219.db2.gz SKWTWFZLTMLOOT-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1CCCc1cccc(Cl)c1 ZINC001205904156 813126221 /nfs/dbraw/zinc/12/62/21/813126221.db2.gz SKWTWFZLTMLOOT-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205912788 813129976 /nfs/dbraw/zinc/12/99/76/813129976.db2.gz CKDOEWZGABAHER-KGLIPLIRSA-N 1 3 264.388 3.002 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc(F)c2ccoc21 ZINC001205914081 813131346 /nfs/dbraw/zinc/13/13/46/813131346.db2.gz KXESHPSYLZDMNG-NEPJUHHUSA-N 1 3 276.355 3.131 20 0 CGADHO CCSc1ccccc1CN1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923101 813135542 /nfs/dbraw/zinc/13/55/42/813135542.db2.gz IPYSTFWKHXBDEJ-UONOGXRCSA-N 1 3 278.465 3.358 20 0 CGADHO C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205993101 813155487 /nfs/dbraw/zinc/15/54/87/813155487.db2.gz GXLQGDPXUYLIOJ-YPMHNXCESA-N 1 3 284.806 3.286 20 0 CGADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)nc1C ZINC001206036371 813176382 /nfs/dbraw/zinc/17/63/82/813176382.db2.gz IWXRUHQGOCQJLI-TZMCWYRMSA-N 1 3 295.858 3.159 20 0 CGADHO Cc1cc(CN2CCC[C@](C)(C[NH3+])CC2)c(F)cc1F ZINC001206319015 813287435 /nfs/dbraw/zinc/28/74/35/813287435.db2.gz XKQJPXNHIFVGQY-INIZCTEOSA-N 1 3 282.378 3.224 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC001206549838 813348148 /nfs/dbraw/zinc/34/81/48/813348148.db2.gz QPAAJLBZGGPRPU-MRXNPFEDSA-N 1 3 298.377 3.239 20 0 CGADHO Cc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)c(C)s1 ZINC001206548808 813348443 /nfs/dbraw/zinc/34/84/43/813348443.db2.gz JHQFDCRZJZKGEY-HNNXBMFYSA-N 1 3 266.454 3.316 20 0 CGADHO CC(C)[N@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCCNCC1 ZINC001206581033 813362545 /nfs/dbraw/zinc/36/25/45/813362545.db2.gz HJHZJJCTCSFSLY-VVLHAWIVSA-N 1 3 262.441 3.051 20 0 CGADHO CC(C)[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCCNCC1 ZINC001206581033 813362551 /nfs/dbraw/zinc/36/25/51/813362551.db2.gz HJHZJJCTCSFSLY-VVLHAWIVSA-N 1 3 262.441 3.051 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCc1ccccc1Cl ZINC001206760475 813426124 /nfs/dbraw/zinc/42/61/24/813426124.db2.gz HHRDHBUZVUCFAD-KGLIPLIRSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCCCCc1ccccc1 ZINC001206761065 813426603 /nfs/dbraw/zinc/42/66/03/813426603.db2.gz SLXAXXZJYDFCAP-AEFFLSMTSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCCCCc1ccccc1 ZINC001206761065 813426606 /nfs/dbraw/zinc/42/66/06/813426606.db2.gz SLXAXXZJYDFCAP-AEFFLSMTSA-N 1 3 274.452 3.459 20 0 CGADHO CC1(C)C[C@@H](CN2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001207350640 813547198 /nfs/dbraw/zinc/54/71/98/813547198.db2.gz QGTSQLGOAAYRLX-INIZCTEOSA-N 1 3 294.483 3.142 20 0 CGADHO CC1(C)C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)CCO1 ZINC001207350640 813547203 /nfs/dbraw/zinc/54/72/03/813547203.db2.gz QGTSQLGOAAYRLX-INIZCTEOSA-N 1 3 294.483 3.142 20 0 CGADHO CCC[NH+]1C[C@@H]2CN(CCCC3CCCC3)C[C@H]2C1 ZINC001208095027 813692651 /nfs/dbraw/zinc/69/26/51/813692651.db2.gz UNKOTSVHJGNPAF-IAGOWNOFSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN1C[C@@H]2C[NH+](CCCC3CCCC3)C[C@H]2C1 ZINC001208095027 813692657 /nfs/dbraw/zinc/69/26/57/813692657.db2.gz UNKOTSVHJGNPAF-IAGOWNOFSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(C)C1CC[NH+](C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208169419 813724629 /nfs/dbraw/zinc/72/46/29/813724629.db2.gz PGTHYVJIXKNYOD-CVEARBPZSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[NH+]2CC3(C2)CCN(CC2CC2)C3)CC1 ZINC001208172649 813727500 /nfs/dbraw/zinc/72/75/00/813727500.db2.gz ZLHFAJJCJHLNOE-FUHWJXTLSA-N 1 3 288.479 3.397 20 0 CGADHO CC/C=C\CCCCCN1CCN(CCC[NH+](C)C)CC1 ZINC001208194864 813739505 /nfs/dbraw/zinc/73/95/05/813739505.db2.gz SJZQFBSWPSYVHJ-WAYWQWQTSA-N 1 3 295.515 3.082 20 0 CGADHO Cc1cc(N2CCN(CC3(C)CCCCC3)CC2)cc[nH+]1 ZINC001208907668 813893101 /nfs/dbraw/zinc/89/31/01/813893101.db2.gz MMKXJWQJDNBCOK-UHFFFAOYSA-N 1 3 287.451 3.482 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c[nH]c3ccc(C)cc23)CC1 ZINC001209498142 814065947 /nfs/dbraw/zinc/06/59/47/814065947.db2.gz ZZSFPDMAODXWIC-UHFFFAOYSA-N 1 3 285.435 3.392 20 0 CGADHO CC(C)(C)[PH+](CCCNC(=O)C1(N)CC1)C(C)(C)C ZINC001221272043 816307648 /nfs/dbraw/zinc/30/76/48/816307648.db2.gz SRROWRSBIFHETN-UHFFFAOYSA-N 1 3 286.400 3.063 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142222 816359680 /nfs/dbraw/zinc/35/96/80/816359680.db2.gz XYBIKRBFSPWCIJ-FUHWJXTLSA-N 1 3 296.499 3.029 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142222 816359687 /nfs/dbraw/zinc/35/96/87/816359687.db2.gz XYBIKRBFSPWCIJ-FUHWJXTLSA-N 1 3 296.499 3.029 20 0 CGADHO CCOc1ccccc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222453330 816448271 /nfs/dbraw/zinc/44/82/71/816448271.db2.gz WXSNUUGGEOMNMR-UHFFFAOYSA-N 1 3 288.435 3.051 20 0 CGADHO CC/C=C\CC[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595581 816475175 /nfs/dbraw/zinc/47/51/75/816475175.db2.gz DEQSMKLZQMJXHI-CWIOURORSA-N 1 3 270.420 3.032 20 0 CGADHO CC/C=C\CC[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595581 816475178 /nfs/dbraw/zinc/47/51/78/816475178.db2.gz DEQSMKLZQMJXHI-CWIOURORSA-N 1 3 270.420 3.032 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620348 816479263 /nfs/dbraw/zinc/47/92/63/816479263.db2.gz OCMQNQDGSPTHLF-ZWKOTPCHSA-N 1 3 272.436 3.069 20 0 CGADHO Cc1cc(CN(C)CC2CC[NH+](C(C)C)CC2)cnc1F ZINC001231926623 818214819 /nfs/dbraw/zinc/21/48/19/818214819.db2.gz CCYBMAXDHMDYSK-UHFFFAOYSA-N 1 3 293.430 3.081 20 0 CGADHO C[N@H+](CCc1cccc(F)c1)Cc1cc2cnccc2[nH]1 ZINC001232016733 818235248 /nfs/dbraw/zinc/23/52/48/818235248.db2.gz DMVYHINELKQPOF-UHFFFAOYSA-N 1 3 283.350 3.377 20 0 CGADHO C[N@@H+](CCc1cccc(F)c1)Cc1cc2cnccc2[nH]1 ZINC001232016733 818235257 /nfs/dbraw/zinc/23/52/57/818235257.db2.gz DMVYHINELKQPOF-UHFFFAOYSA-N 1 3 283.350 3.377 20 0 CGADHO C[N@H+](CCc1ccccc1F)Cc1cc2cnccc2[nH]1 ZINC001232017825 818236178 /nfs/dbraw/zinc/23/61/78/818236178.db2.gz ZCOFIUOKGQSUET-UHFFFAOYSA-N 1 3 283.350 3.377 20 0 CGADHO C[N@@H+](CCc1ccccc1F)Cc1cc2cnccc2[nH]1 ZINC001232017825 818236185 /nfs/dbraw/zinc/23/61/85/818236185.db2.gz ZCOFIUOKGQSUET-UHFFFAOYSA-N 1 3 283.350 3.377 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232143863 818263516 /nfs/dbraw/zinc/26/35/16/818263516.db2.gz IULYJNYOHHGXHR-ZDUSSCGKSA-N 1 3 264.388 3.119 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232143863 818263518 /nfs/dbraw/zinc/26/35/18/818263518.db2.gz IULYJNYOHHGXHR-ZDUSSCGKSA-N 1 3 264.388 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CC3CCC2CC3)c1 ZINC001232146700 818264458 /nfs/dbraw/zinc/26/44/58/818264458.db2.gz ZJVFXMFOSPYKFT-UHFFFAOYSA-N 1 3 276.399 3.262 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+]2CC3CCC2CC3)c1 ZINC001232146700 818264463 /nfs/dbraw/zinc/26/44/63/818264463.db2.gz ZJVFXMFOSPYKFT-UHFFFAOYSA-N 1 3 276.399 3.262 20 0 CGADHO Cc1c(F)cc(CN2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC001232425075 818345360 /nfs/dbraw/zinc/34/53/60/818345360.db2.gz WPZPNZBJQQBQLK-UHFFFAOYSA-N 1 3 294.389 3.191 20 0 CGADHO CC(C)=CCC[C@@H](C)CCN1CC2CC1(C[NH3+])C2 ZINC001235006089 818976765 /nfs/dbraw/zinc/97/67/65/818976765.db2.gz DNLWFFULLJFNPR-QQFBHYJXSA-N 1 3 250.430 3.182 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2CCC3(C[NH2+]C3)C2)cc1 ZINC001235025250 818982374 /nfs/dbraw/zinc/98/23/74/818982374.db2.gz YTJWREGZPSAAJU-MRXNPFEDSA-N 1 3 286.463 3.284 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC3(CNC3)C2)cc1 ZINC001235025250 818982379 /nfs/dbraw/zinc/98/23/79/818982379.db2.gz YTJWREGZPSAAJU-MRXNPFEDSA-N 1 3 286.463 3.284 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC3(CNC3)C2)cc1 ZINC001235025250 818982385 /nfs/dbraw/zinc/98/23/85/818982385.db2.gz YTJWREGZPSAAJU-MRXNPFEDSA-N 1 3 286.463 3.284 20 0 CGADHO Clc1ccc([C@@H]2C[C@H]2CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235029983 818982997 /nfs/dbraw/zinc/98/29/97/818982997.db2.gz DEYKKOQVPJXCAQ-BHYGNILZSA-N 1 3 290.838 3.129 20 0 CGADHO CCCCOc1ccc(CN2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235088554 818997336 /nfs/dbraw/zinc/99/73/36/818997336.db2.gz IVNRGXVITDKEAA-UHFFFAOYSA-N 1 3 288.435 3.051 20 0 CGADHO C(CC1CCCC1)C[N@@H+]1CCCC12CCNCC2 ZINC001235141241 819014603 /nfs/dbraw/zinc/01/46/03/819014603.db2.gz PZHAQLBOJNWWMS-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO C(CC1CCCC1)C[N@H+]1CCCC12CCNCC2 ZINC001235141241 819014611 /nfs/dbraw/zinc/01/46/11/819014611.db2.gz PZHAQLBOJNWWMS-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO C(C[N@@H+]1CCCC[C@@]12CCCNC2)C1CCCC1 ZINC001235175511 819024569 /nfs/dbraw/zinc/02/45/69/819024569.db2.gz WVYNNUQJPDCZNX-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO C(C[N@H+]1CCCC[C@@]12CCCNC2)C1CCCC1 ZINC001235175511 819024575 /nfs/dbraw/zinc/02/45/75/819024575.db2.gz WVYNNUQJPDCZNX-INIZCTEOSA-N 1 3 250.430 3.175 20 0 CGADHO Fc1cccc(CCC[N@@H+]2CCCCC23CCNCC3)c1 ZINC001235191078 819030861 /nfs/dbraw/zinc/03/08/61/819030861.db2.gz PONQWJFFXPQCMD-UHFFFAOYSA-N 1 3 290.426 3.366 20 0 CGADHO Fc1cccc(CCC[N@H+]2CCCCC23CCNCC3)c1 ZINC001235191078 819030867 /nfs/dbraw/zinc/03/08/67/819030867.db2.gz PONQWJFFXPQCMD-UHFFFAOYSA-N 1 3 290.426 3.366 20 0 CGADHO Cc1ccc(F)c(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232657 819041939 /nfs/dbraw/zinc/04/19/39/819041939.db2.gz ZDLYOEFHZHJKEE-SFHVURJKSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1 ZINC001235406826 819088173 /nfs/dbraw/zinc/08/81/73/819088173.db2.gz RBEQMXHNWXKJSS-ROUUACIJSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)c(C)c1 ZINC001235406826 819088177 /nfs/dbraw/zinc/08/81/77/819088177.db2.gz RBEQMXHNWXKJSS-ROUUACIJSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)c(C)c1 ZINC001235406826 819088182 /nfs/dbraw/zinc/08/81/82/819088182.db2.gz RBEQMXHNWXKJSS-ROUUACIJSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1csc(CN(C)CC2CC[NH2+]CC2)c1Cl ZINC001235433553 819096802 /nfs/dbraw/zinc/09/68/02/819096802.db2.gz LXTYIFBFLGRRHX-UHFFFAOYSA-N 1 3 272.845 3.141 20 0 CGADHO C[C@H](N)C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC001235664602 819131844 /nfs/dbraw/zinc/13/18/44/819131844.db2.gz JOFCNRKANFFQHH-KRWDZBQOSA-N 1 3 294.442 3.416 20 0 CGADHO C[C@@H]1CC[N@H+](Cc2cc3c(s2)CNCC3)[C@@H](C)C1 ZINC001235819217 819173795 /nfs/dbraw/zinc/17/37/95/819173795.db2.gz CAIYPASMWLEELM-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CC[N@@H+](Cc2cc3c(s2)CNCC3)[C@@H](C)C1 ZINC001235819217 819173800 /nfs/dbraw/zinc/17/38/00/819173800.db2.gz CAIYPASMWLEELM-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892241 819201700 /nfs/dbraw/zinc/20/17/00/819201700.db2.gz NIZRETJIWWZOIO-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892241 819201708 /nfs/dbraw/zinc/20/17/08/819201708.db2.gz NIZRETJIWWZOIO-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235939116 819233236 /nfs/dbraw/zinc/23/32/36/819233236.db2.gz NVCLPERFKTXERM-ROUUACIJSA-N 1 3 272.436 3.071 20 0 CGADHO COCC[N@H+](CC[C@H](C)CC(C)(C)C)C1CCNCC1 ZINC001235947006 819236135 /nfs/dbraw/zinc/23/61/35/819236135.db2.gz UJKKSKBZPZLETG-HNNXBMFYSA-N 1 3 284.488 3.149 20 0 CGADHO COCC[N@@H+](CC[C@H](C)CC(C)(C)C)C1CCNCC1 ZINC001235947006 819236140 /nfs/dbraw/zinc/23/61/40/819236140.db2.gz UJKKSKBZPZLETG-HNNXBMFYSA-N 1 3 284.488 3.149 20 0 CGADHO COCCN(CC[C@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235947006 819236144 /nfs/dbraw/zinc/23/61/44/819236144.db2.gz UJKKSKBZPZLETG-HNNXBMFYSA-N 1 3 284.488 3.149 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235959736 819248262 /nfs/dbraw/zinc/24/82/62/819248262.db2.gz NLVCOHPVMIYANT-BCDXTJNWSA-N 1 3 272.436 3.054 20 0 CGADHO CCCCc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235959582 819248321 /nfs/dbraw/zinc/24/83/21/819248321.db2.gz KDXNIXSSSPOGJZ-BCDXTJNWSA-N 1 3 272.436 3.198 20 0 CGADHO C[C@H]1Cc2ccccc2CN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236071946 819300624 /nfs/dbraw/zinc/30/06/24/819300624.db2.gz NBDUIDBCOOHRHF-ZDUSSCGKSA-N 1 3 298.455 3.341 20 0 CGADHO C[NH+](C)CCCn1cc(-c2cccc(C3=NCCC3)c2)cn1 ZINC001236156568 819349614 /nfs/dbraw/zinc/34/96/14/819349614.db2.gz XZPPSKGZEOXTGS-UHFFFAOYSA-N 1 3 296.418 3.085 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@H]1CCCC[C@@H]1N ZINC001236210332 819372973 /nfs/dbraw/zinc/37/29/73/819372973.db2.gz BNLABUBATIUOBB-RDJZCZTQSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@@H]1N ZINC001236210332 819372978 /nfs/dbraw/zinc/37/29/78/819372978.db2.gz BNLABUBATIUOBB-RDJZCZTQSA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236217388 819381916 /nfs/dbraw/zinc/38/19/16/819381916.db2.gz OSVZZEDBUGALGT-PKOBYXMFSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236217388 819381919 /nfs/dbraw/zinc/38/19/19/819381919.db2.gz OSVZZEDBUGALGT-PKOBYXMFSA-N 1 3 295.430 3.450 20 0 CGADHO CN(Cc1ccc2ccccc2c1)C1(C)CC[NH2+]CC1 ZINC001236223162 819389725 /nfs/dbraw/zinc/38/97/25/819389725.db2.gz LORFXBQVMFDIRS-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO C[N@H+](Cc1ccc2ccccc2c1)C1(C)CCNCC1 ZINC001236223162 819389732 /nfs/dbraw/zinc/38/97/32/819389732.db2.gz LORFXBQVMFDIRS-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO C[N@@H+](Cc1ccc2ccccc2c1)C1(C)CCNCC1 ZINC001236223162 819389739 /nfs/dbraw/zinc/38/97/39/819389739.db2.gz LORFXBQVMFDIRS-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO CC(C)CC[NH+](CCC(C)C)Cc1ccc2n1CCNC2 ZINC001236307109 819418288 /nfs/dbraw/zinc/41/82/88/819418288.db2.gz JFOLOJWZQDQUBO-UHFFFAOYSA-N 1 3 291.483 3.486 20 0 CGADHO Cc1cc(C)c(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236375474 819442871 /nfs/dbraw/zinc/44/28/71/819442871.db2.gz YLOOKUKXBGLXFD-INIZCTEOSA-N 1 3 289.467 3.376 20 0 CGADHO CCN(Cc1ccc2cc(OC)ccc2c1)C[C@H]1CC[NH2+]C1 ZINC001236409032 819456572 /nfs/dbraw/zinc/45/65/72/819456572.db2.gz RCKBUTSSLJLDQP-INIZCTEOSA-N 1 3 298.430 3.280 20 0 CGADHO CCN(Cc1ccc(OC)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236409187 819456729 /nfs/dbraw/zinc/45/67/29/819456729.db2.gz YJJROKNABKJPBZ-OAHLLOKOSA-N 1 3 298.430 3.280 20 0 CGADHO CCN(Cc1ccc(C2CCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236412484 819458994 /nfs/dbraw/zinc/45/89/94/819458994.db2.gz VLUGVBNEHBGAFG-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415666 819461169 /nfs/dbraw/zinc/46/11/69/819461169.db2.gz PHJSTDUNOGOZBV-UIBBOPPKSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001236415666 819461173 /nfs/dbraw/zinc/46/11/73/819461173.db2.gz PHJSTDUNOGOZBV-UIBBOPPKSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415421 819461382 /nfs/dbraw/zinc/46/13/82/819461382.db2.gz OCYUHBMZGFCIQC-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415421 819461385 /nfs/dbraw/zinc/46/13/85/819461385.db2.gz OCYUHBMZGFCIQC-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001236584893 819545804 /nfs/dbraw/zinc/54/58/04/819545804.db2.gz ZSYDCVGBRKWMEI-GVDBMIGSSA-N 1 3 276.468 3.443 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC001236584893 819545809 /nfs/dbraw/zinc/54/58/09/819545809.db2.gz ZSYDCVGBRKWMEI-GVDBMIGSSA-N 1 3 276.468 3.443 20 0 CGADHO CCCCc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236604327 819551164 /nfs/dbraw/zinc/55/11/64/819551164.db2.gz MFEOEEVEWRDVBM-QGZVFWFLSA-N 1 3 260.425 3.200 20 0 CGADHO Cc1cc(OC(C)C)cc(C)c1CN1CC[C@@](C)(C[NH3+])C1 ZINC001236616477 819553876 /nfs/dbraw/zinc/55/38/76/819553876.db2.gz NTZXVSXJWYYYHW-SFHVURJKSA-N 1 3 290.451 3.261 20 0 CGADHO CCCN(CCc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236830347 819611429 /nfs/dbraw/zinc/61/14/29/819611429.db2.gz NHEYUROESDONCS-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCCN(Cc1ccc(OCC)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236833427 819612674 /nfs/dbraw/zinc/61/26/74/819612674.db2.gz BCTCUJUULWHTFP-MRXNPFEDSA-N 1 3 290.451 3.215 20 0 CGADHO CCCN(Cc1c(C)cc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236833305 819613956 /nfs/dbraw/zinc/61/39/56/819613956.db2.gz ADZSXCJIBKQHAP-KRWDZBQOSA-N 1 3 274.452 3.433 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237080229 819661693 /nfs/dbraw/zinc/66/16/93/819661693.db2.gz FWTGDTIZPPMJOW-GOSISDBHSA-N 1 3 274.452 3.446 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC001237106257 819669265 /nfs/dbraw/zinc/66/92/65/819669265.db2.gz FBULJMVCZSBIIB-UHFFFAOYSA-N 1 3 284.447 3.482 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1C[C@@H](N)C[C@H]1C ZINC001237204629 819698351 /nfs/dbraw/zinc/69/83/51/819698351.db2.gz QSYMHJCCXHYCNE-PWSUYJOCSA-N 1 3 260.406 3.131 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1C[C@@H](N)C[C@H]1C ZINC001237204629 819698353 /nfs/dbraw/zinc/69/83/53/819698353.db2.gz QSYMHJCCXHYCNE-PWSUYJOCSA-N 1 3 260.406 3.131 20 0 CGADHO CC(C)(C)[NH2+]Cc1ccc(-c2ccnc(CN)c2)cc1 ZINC001240373423 821000727 /nfs/dbraw/zinc/00/07/27/821000727.db2.gz KFPUSJIYRQXXHV-UHFFFAOYSA-N 1 3 269.392 3.095 20 0 CGADHO Cc1cnc(C2=CCCN(Cc3ccccc3)C2)c(C[NH3+])c1 ZINC001240385634 821009540 /nfs/dbraw/zinc/00/95/40/821009540.db2.gz CFYQSQFKXDNWQI-UHFFFAOYSA-N 1 3 293.414 3.138 20 0 CGADHO CC(C)C1=[NH+]CCc2ccc(C3=CCCN(C)C3)cc21 ZINC001241569994 821954364 /nfs/dbraw/zinc/95/43/64/821954364.db2.gz FIERYOWNACAPGU-UHFFFAOYSA-N 1 3 268.404 3.407 20 0 CGADHO CC(C)C1=NCCc2ccc(C3=CCC[N@H+](C)C3)cc21 ZINC001241569994 821954370 /nfs/dbraw/zinc/95/43/70/821954370.db2.gz FIERYOWNACAPGU-UHFFFAOYSA-N 1 3 268.404 3.407 20 0 CGADHO CC(C)C1=NCCc2ccc(C3=CCC[N@@H+](C)C3)cc21 ZINC001241569994 821954376 /nfs/dbraw/zinc/95/43/76/821954376.db2.gz FIERYOWNACAPGU-UHFFFAOYSA-N 1 3 268.404 3.407 20 0 CGADHO CN1CCC=C(c2ccccc2C[NH+]2CCCCC2)C1 ZINC001241569601 821954949 /nfs/dbraw/zinc/95/49/49/821954949.db2.gz IKLZMTVLKCCKDQ-UHFFFAOYSA-N 1 3 270.420 3.391 20 0 CGADHO COc1ccc(C2=CCCN(C)C2)cc1C[NH+]1CCCC1 ZINC001241571953 821959591 /nfs/dbraw/zinc/95/95/91/821959591.db2.gz LDSBKNPYHMHNSU-UHFFFAOYSA-N 1 3 286.419 3.010 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC001345482974 936812243 /nfs/dbraw/zinc/81/22/43/936812243.db2.gz PQJSJUAOPORWRB-RHSMWYFYSA-N 1 3 260.425 3.424 20 0 CGADHO COC1(C[NH2+]C[C@H]2CCCCN(C)C2)CCCCCC1 ZINC001560933295 937238980 /nfs/dbraw/zinc/23/89/80/937238980.db2.gz JKLKAOMHXLHYTN-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO Cc1cccc([C@H](C)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001460559587 937535273 /nfs/dbraw/zinc/53/52/73/937535273.db2.gz JOQGZIOJCZYZBY-SZMVWBNQSA-N 1 3 272.436 3.330 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1(C)C ZINC001308683320 933157771 /nfs/dbraw/zinc/15/77/71/933157771.db2.gz MTJKQWNQLZJOCD-IXDOHACOSA-N 1 3 296.499 3.433 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748932 933169788 /nfs/dbraw/zinc/16/97/88/933169788.db2.gz XRAQPAUKYLZDFG-VQTJNVASSA-N 1 3 298.474 3.482 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748932 933169790 /nfs/dbraw/zinc/16/97/90/933169790.db2.gz XRAQPAUKYLZDFG-VQTJNVASSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748932 933169794 /nfs/dbraw/zinc/16/97/94/933169794.db2.gz XRAQPAUKYLZDFG-VQTJNVASSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748932 933169797 /nfs/dbraw/zinc/16/97/97/933169797.db2.gz XRAQPAUKYLZDFG-VQTJNVASSA-N 1 3 298.474 3.482 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccc2scnc2c1 ZINC001308970043 933217535 /nfs/dbraw/zinc/21/75/35/933217535.db2.gz ASHUFGCCQFWTNB-UHFFFAOYSA-N 1 3 291.464 3.316 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccc2scnc2c1 ZINC001308970043 933217542 /nfs/dbraw/zinc/21/75/42/933217542.db2.gz ASHUFGCCQFWTNB-UHFFFAOYSA-N 1 3 291.464 3.316 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC001319199296 933841740 /nfs/dbraw/zinc/84/17/40/933841740.db2.gz VIOKNQORHXIHNJ-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001319213161 933842873 /nfs/dbraw/zinc/84/28/73/933842873.db2.gz YDKNMXAHRJTVRY-OAHLLOKOSA-N 1 3 281.403 3.218 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913419 933956272 /nfs/dbraw/zinc/95/62/72/933956272.db2.gz UWIOOGXCJRACAB-RHSMWYFYSA-N 1 3 293.430 3.239 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC001322634373 934322761 /nfs/dbraw/zinc/32/27/61/934322761.db2.gz TVXSVWRLYLEUOI-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO C(C1CCC1)[C@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC001329925719 935255178 /nfs/dbraw/zinc/25/51/78/935255178.db2.gz NJLINPLWDLTQKL-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC001329925719 935255182 /nfs/dbraw/zinc/25/51/82/935255182.db2.gz NJLINPLWDLTQKL-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC001330070846 935265269 /nfs/dbraw/zinc/26/52/69/935265269.db2.gz UWQCXKNBLQTLCJ-YOEHRIQHSA-N 1 3 288.435 3.091 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC001330070844 935265530 /nfs/dbraw/zinc/26/55/30/935265530.db2.gz UWQCXKNBLQTLCJ-RHSMWYFYSA-N 1 3 288.435 3.091 20 0 CGADHO COc1cccc([C@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)c1 ZINC001334738463 936110550 /nfs/dbraw/zinc/11/05/50/936110550.db2.gz PEZMFBKWQVFITA-CRAIPNDOSA-N 1 3 288.435 3.222 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001474759663 937879133 /nfs/dbraw/zinc/87/91/33/937879133.db2.gz TWXSCFZMYLZPDR-CABCVRRESA-N 1 3 280.431 3.467 20 0 CGADHO FC(F)(F)[C@]12CCC[C@@H]1CN(C[C@H]1CCCC[NH2+]C1)C2 ZINC001550705007 938170248 /nfs/dbraw/zinc/17/02/48/938170248.db2.gz WWJXAKHPDOZIBF-MJBXVCDLSA-N 1 3 290.373 3.041 20 0 CGADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H]1C[C@@H]1C ZINC001551403763 938181830 /nfs/dbraw/zinc/18/18/30/938181830.db2.gz YRZBDIWHICCSDY-XMOBOOAESA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)OC1CCC([NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)CC1 ZINC001553027116 938196086 /nfs/dbraw/zinc/19/60/86/938196086.db2.gz VWFFJSJUDNSAMN-IRKLFDGPSA-N 1 3 294.483 3.089 20 0 CGADHO Cc1cc(C)c(/C=C\CNCCC[NH+]2CCC2)c(C)c1 ZINC001560427954 938257912 /nfs/dbraw/zinc/25/79/12/938257912.db2.gz VMTAJOHHGLIAOU-DAXSKMNVSA-N 1 3 272.436 3.310 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC001561053358 938292411 /nfs/dbraw/zinc/29/24/11/938292411.db2.gz UXWVXSAWJUPFJK-DSLXNQLJSA-N 1 3 286.463 3.246 20 0 CGADHO NC[C@@]12C[N@H+](CCC3CCCCC3)C[C@@H]1CCCC2 ZINC001580256102 960487589 /nfs/dbraw/zinc/48/75/89/960487589.db2.gz RCBDDQYNZOZHFJ-IRXDYDNUSA-N 1 3 264.457 3.408 20 0 CGADHO NC[C@@]12C[N@@H+](CCC3CCCCC3)C[C@@H]1CCCC2 ZINC001580256102 960487597 /nfs/dbraw/zinc/48/75/97/960487597.db2.gz RCBDDQYNZOZHFJ-IRXDYDNUSA-N 1 3 264.457 3.408 20 0 CGADHO CC(C)(C)c1csc(CNC2(C3CC[NH2+]CC3)CC2)n1 ZINC001575281341 962350571 /nfs/dbraw/zinc/35/05/71/962350571.db2.gz BYBRRFMQUVXYQE-UHFFFAOYSA-N 1 3 293.480 3.062 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001575423392 962373990 /nfs/dbraw/zinc/37/39/90/962373990.db2.gz TWBGNIGNLGUIMJ-BPQIPLTHSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001575423392 962374011 /nfs/dbraw/zinc/37/40/11/962374011.db2.gz TWBGNIGNLGUIMJ-BPQIPLTHSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)C(C[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1)C(C)C ZINC001575428893 962380223 /nfs/dbraw/zinc/38/02/23/962380223.db2.gz OWOIKNQYZSKBCN-WBVHZDCISA-N 1 3 266.473 3.366 20 0 CGADHO CC(C)C(C[N@H+]1C[C@H]2CCCC[C@]2(CN)C1)C(C)C ZINC001575428893 962380244 /nfs/dbraw/zinc/38/02/44/962380244.db2.gz OWOIKNQYZSKBCN-WBVHZDCISA-N 1 3 266.473 3.366 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001575546303 962385848 /nfs/dbraw/zinc/38/58/48/962385848.db2.gz VRCVBNKZGHTXQC-OAGGEKHMSA-N 1 3 280.843 3.377 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)N[C@H]1C[C@@H]([NH3+])C1 ZINC001575546303 962385873 /nfs/dbraw/zinc/38/58/73/962385873.db2.gz VRCVBNKZGHTXQC-OAGGEKHMSA-N 1 3 280.843 3.377 20 0 CGADHO CC(C)C[C@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC001575549709 962393811 /nfs/dbraw/zinc/39/38/11/962393811.db2.gz LKIKLSKFAMKKNG-ZBFHGGJFSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)C[N@H+](CCc1ccccc1)C[C@@H](CN)C(C)C ZINC001575594314 962394464 /nfs/dbraw/zinc/39/44/64/962394464.db2.gz WFXRZEMRFWWMOW-GOSISDBHSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)C[N@@H+](CCc1ccccc1)C[C@@H](CN)C(C)C ZINC001575594314 962394487 /nfs/dbraw/zinc/39/44/87/962394487.db2.gz WFXRZEMRFWWMOW-GOSISDBHSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)[C@H]([NH3+])CCNC1CC(c2cccc(F)c2)C1 ZINC001575838703 962413007 /nfs/dbraw/zinc/41/30/07/962413007.db2.gz KBVSHCTXRDJSTL-AVVWSFFYSA-N 1 3 264.388 3.035 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001576065712 962427440 /nfs/dbraw/zinc/42/74/40/962427440.db2.gz HIHYMQDSSYZVAA-RLCCDNCMSA-N 1 3 272.392 3.079 20 0 CGADHO C[C@H](C[NH2+]CC1(CN)CC1)c1ccc(C(F)(F)F)cc1 ZINC001576033918 962427583 /nfs/dbraw/zinc/42/75/83/962427583.db2.gz XUAQQJWAWMUKQM-LLVKDONJSA-N 1 3 286.341 3.137 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254556 962513618 /nfs/dbraw/zinc/51/36/18/962513618.db2.gz LVKLDSXJFNGGMJ-OCCSQVGLSA-N 1 3 279.428 3.269 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254556 962513633 /nfs/dbraw/zinc/51/36/33/962513633.db2.gz LVKLDSXJFNGGMJ-OCCSQVGLSA-N 1 3 279.428 3.269 20 0 CGADHO COc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001579198820 962613054 /nfs/dbraw/zinc/61/30/54/962613054.db2.gz CVVFOVXMCPVBEP-RDTXWAMCSA-N 1 3 288.435 3.126 20 0 CGADHO Cc1ccc(CN[C@]2(C[NH3+])CCCC[C@H]2C)c(C)c1 ZINC001579696876 962656595 /nfs/dbraw/zinc/65/65/95/962656595.db2.gz KNQPRDKSTAXIAN-WBVHZDCISA-N 1 3 260.425 3.301 20 0 CGADHO Cc1cccc(CCC[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)c1 ZINC001579759583 962674200 /nfs/dbraw/zinc/67/42/00/962674200.db2.gz NWQTZBIFXILMOL-NUJGCVRESA-N 1 3 274.452 3.233 20 0 CGADHO Cc1cccc(CCC[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)c1 ZINC001579759583 962674211 /nfs/dbraw/zinc/67/42/11/962674211.db2.gz NWQTZBIFXILMOL-NUJGCVRESA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccccc1OCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC001579804870 962679592 /nfs/dbraw/zinc/67/95/92/962679592.db2.gz PMIKBWUAGGLNKB-BBWFWOEESA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC001579804870 962679603 /nfs/dbraw/zinc/67/96/03/962679603.db2.gz PMIKBWUAGGLNKB-BBWFWOEESA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC001579804870 962679612 /nfs/dbraw/zinc/67/96/12/962679612.db2.gz PMIKBWUAGGLNKB-BBWFWOEESA-N 1 3 290.451 3.069 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069751 192036084 /nfs/dbraw/zinc/03/60/84/192036084.db2.gz NCLBJLFEKRQPAQ-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO CCc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000651725766 398276118 /nfs/dbraw/zinc/27/61/18/398276118.db2.gz OASPDODUNMMUGP-AYHJJNSGSA-N 1 3 272.436 3.354 20 0 CGADHO CCc1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000651725766 398276121 /nfs/dbraw/zinc/27/61/21/398276121.db2.gz OASPDODUNMMUGP-AYHJJNSGSA-N 1 3 272.436 3.354 20 0 CGADHO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000651808380 398290769 /nfs/dbraw/zinc/29/07/69/398290769.db2.gz PADUWRKDWCFWLZ-ARFHVFGLSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](COCC1CC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000651982867 398316181 /nfs/dbraw/zinc/31/61/81/398316181.db2.gz JLZVNDBHTMWJQU-HNNXBMFYSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467776 529453809 /nfs/dbraw/zinc/45/38/09/529453809.db2.gz OBYKFPNDTXMZIF-HIFRSBDPSA-N 1 3 264.413 3.109 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423478487 529454004 /nfs/dbraw/zinc/45/40/04/529454004.db2.gz UQRWXVFYBCBKHE-SKDRFNHKSA-N 1 3 260.303 3.093 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119307 282187598 /nfs/dbraw/zinc/18/75/98/282187598.db2.gz BPFVSVHUDSEWON-IAGOWNOFSA-N 1 3 294.483 3.284 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119307 282187600 /nfs/dbraw/zinc/18/76/00/282187600.db2.gz BPFVSVHUDSEWON-IAGOWNOFSA-N 1 3 294.483 3.284 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)CN(C)C ZINC000425943897 529539712 /nfs/dbraw/zinc/53/97/12/529539712.db2.gz KTKCEZNFUTZLLA-WBVHZDCISA-N 1 3 262.441 3.103 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459412 529569101 /nfs/dbraw/zinc/56/91/01/529569101.db2.gz HZABVGUIWSWKFV-KGLIPLIRSA-N 1 3 286.341 3.483 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@H]1C[C@H]1C ZINC000414130851 529605946 /nfs/dbraw/zinc/60/59/46/529605946.db2.gz KBRKULKOFUMKPH-UGUYLWEFSA-N 1 3 252.446 3.275 20 0 CGADHO CCc1cccnc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414184657 529623204 /nfs/dbraw/zinc/62/32/04/529623204.db2.gz OBSAXFJNEPXOMC-GJZGRUSLSA-N 1 3 275.440 3.027 20 0 CGADHO CCc1cccnc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414184657 529623209 /nfs/dbraw/zinc/62/32/09/529623209.db2.gz OBSAXFJNEPXOMC-GJZGRUSLSA-N 1 3 275.440 3.027 20 0 CGADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1C[C@H]1C ZINC000414081518 529631868 /nfs/dbraw/zinc/63/18/68/529631868.db2.gz UIFPWABXFLTUSQ-OIISXLGYSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(C)cc1 ZINC000423325216 529616840 /nfs/dbraw/zinc/61/68/40/529616840.db2.gz JFDBMNQJMVOURK-IRXDYDNUSA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccc(C)cc1 ZINC000423325216 529616845 /nfs/dbraw/zinc/61/68/45/529616845.db2.gz JFDBMNQJMVOURK-IRXDYDNUSA-N 1 3 260.425 3.425 20 0 CGADHO CN1CC=C(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000273150844 192058413 /nfs/dbraw/zinc/05/84/13/192058413.db2.gz HPRMQXMPDMZJAY-UHFFFAOYSA-N 1 3 290.838 3.438 20 0 CGADHO CCOCc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623354968 349787096 /nfs/dbraw/zinc/78/70/96/349787096.db2.gz QTWMWQJEFMMVOJ-QGZVFWFLSA-N 1 3 290.451 3.186 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423452920 529662825 /nfs/dbraw/zinc/66/28/25/529662825.db2.gz ZNOGQBNXYZFQLM-RRQGHBQHSA-N 1 3 294.389 3.394 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccc(Br)c1 ZINC000423436586 529665972 /nfs/dbraw/zinc/66/59/72/529665972.db2.gz FKBBAGGTYTVKCT-BREBYQMCSA-N 1 3 285.229 3.226 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@@H]2CCC[C@@H]21 ZINC000368611386 529806800 /nfs/dbraw/zinc/80/68/00/529806800.db2.gz CSSJKXDCWWEYIM-AVGNSLFASA-N 1 3 284.856 3.364 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)s2)[C@@H]2CCC[C@@H]21 ZINC000368611386 529806801 /nfs/dbraw/zinc/80/68/01/529806801.db2.gz CSSJKXDCWWEYIM-AVGNSLFASA-N 1 3 284.856 3.364 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]2CCC[C@@H]21 ZINC000368611386 529806802 /nfs/dbraw/zinc/80/68/02/529806802.db2.gz CSSJKXDCWWEYIM-AVGNSLFASA-N 1 3 284.856 3.364 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000623656526 349858713 /nfs/dbraw/zinc/85/87/13/349858713.db2.gz WDOWFUVUFAIYER-CQSZACIVSA-N 1 3 272.392 3.254 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000623656939 349858755 /nfs/dbraw/zinc/85/87/55/349858755.db2.gz GCJKPGNOZYTPKX-MQDFFIGUSA-N 1 3 276.399 3.160 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657741 349860159 /nfs/dbraw/zinc/86/01/59/349860159.db2.gz XUCWGMHBUARBKX-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000623657247 349857732 /nfs/dbraw/zinc/85/77/32/349857732.db2.gz MCHIHDFHLRWBEI-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO COc1ccccc1CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000351549046 219123389 /nfs/dbraw/zinc/12/33/89/219123389.db2.gz XHRBTEHTZIIUCH-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO COc1ccccc1CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000351549046 219123391 /nfs/dbraw/zinc/12/33/91/219123391.db2.gz XHRBTEHTZIIUCH-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000351590789 219138469 /nfs/dbraw/zinc/13/84/69/219138469.db2.gz YXJORWJGJHJZGS-ZDUSSCGKSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000351590789 219138471 /nfs/dbraw/zinc/13/84/71/219138471.db2.gz YXJORWJGJHJZGS-ZDUSSCGKSA-N 1 3 284.806 3.253 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255481 529985641 /nfs/dbraw/zinc/98/56/41/529985641.db2.gz AFOGPAYHFRVPCB-NOOOWODRSA-N 1 3 286.872 3.339 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255481 529985642 /nfs/dbraw/zinc/98/56/42/529985642.db2.gz AFOGPAYHFRVPCB-NOOOWODRSA-N 1 3 286.872 3.339 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000423272299 529999279 /nfs/dbraw/zinc/99/92/79/529999279.db2.gz JTQINKDQDBTEEF-YOEHRIQHSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000040623161 344964269 /nfs/dbraw/zinc/96/42/69/344964269.db2.gz IYQOCJPPJLFYOW-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO C(CNC1CC1)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313045835 260241124 /nfs/dbraw/zinc/24/11/24/260241124.db2.gz MTGJWLJORRUGAO-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccnc1 ZINC000091333258 345810673 /nfs/dbraw/zinc/81/06/73/345810673.db2.gz WWAKIAWKINDWBG-AEFFLSMTSA-N 1 3 289.467 3.489 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000125082432 346015669 /nfs/dbraw/zinc/01/56/69/346015669.db2.gz SVICTPASSCRXNV-MRXNPFEDSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc2ccccc2c1 ZINC000145106566 346119564 /nfs/dbraw/zinc/11/95/64/346119564.db2.gz CZBJMERBLZPTIB-CYBMUJFWSA-N 1 3 254.377 3.242 20 0 CGADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)COCC1CC1 ZINC000162853240 346180302 /nfs/dbraw/zinc/18/03/02/346180302.db2.gz ISKXBNJCZOSGKQ-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO C(CNC1CC[NH+](C2CCCCC2)CC1)COCC1CC1 ZINC000162853240 346180305 /nfs/dbraw/zinc/18/03/05/346180305.db2.gz ISKXBNJCZOSGKQ-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CCN(CC)CCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000236852019 346342581 /nfs/dbraw/zinc/34/25/81/346342581.db2.gz VQERYRCNYXKLLY-JQIJEIRASA-N 1 3 260.425 3.411 20 0 CGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C(C1CC1)C1CC1 ZINC000250895500 346387071 /nfs/dbraw/zinc/38/70/71/346387071.db2.gz YLWUOHKFQZPIFI-KBAYOESNSA-N 1 3 276.468 3.323 20 0 CGADHO Cc1cc(C)c([C@@H](C)N2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628059 346477566 /nfs/dbraw/zinc/47/75/66/346477566.db2.gz RPNRIBOXIUDIJB-AEFFLSMTSA-N 1 3 272.436 3.358 20 0 CGADHO C/C=C/CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658319 346555424 /nfs/dbraw/zinc/55/54/24/346555424.db2.gz WAAIRWRDMCHDDW-PIXXYMSQSA-N 1 3 258.409 3.205 20 0 CGADHO C/C=C/CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658319 346555427 /nfs/dbraw/zinc/55/54/27/346555427.db2.gz WAAIRWRDMCHDDW-PIXXYMSQSA-N 1 3 258.409 3.205 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(F)c1 ZINC000624119540 349975333 /nfs/dbraw/zinc/97/53/33/349975333.db2.gz DSJKGUJBHGBRQN-UONOGXRCSA-N 1 3 264.388 3.208 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1F ZINC000624120370 349976798 /nfs/dbraw/zinc/97/67/98/349976798.db2.gz XLPKKJUBNZFCKA-KGLIPLIRSA-N 1 3 294.414 3.217 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000624122984 349981380 /nfs/dbraw/zinc/98/13/80/349981380.db2.gz CHXXXSFOYBPITN-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CC1(C)C ZINC000624123279 349983315 /nfs/dbraw/zinc/98/33/15/349983315.db2.gz IYCDDWUBIIDWBE-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123666 349983219 /nfs/dbraw/zinc/98/32/19/349983219.db2.gz QFKLJGSKLQOHKM-AEFFLSMTSA-N 1 3 289.467 3.114 20 0 CGADHO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123597 349982836 /nfs/dbraw/zinc/98/28/36/349982836.db2.gz OTLKRZCRALSNGX-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628210061 350441335 /nfs/dbraw/zinc/44/13/35/350441335.db2.gz FOODHFTZYXQUBJ-SJORKVTESA-N 1 3 274.452 3.420 20 0 CGADHO C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)CCN1 ZINC000335641083 212357511 /nfs/dbraw/zinc/35/75/11/212357511.db2.gz QKMIINQDUAITRR-WCQYABFASA-N 1 3 260.406 3.131 20 0 CGADHO CC[C@H](N[C@H]1CC[C@H](OCCC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000629531175 350704367 /nfs/dbraw/zinc/70/43/67/350704367.db2.gz CKRBBWYFUNCXGP-XSLAGTTESA-N 1 3 296.499 3.481 20 0 CGADHO CC[C@H]([NH2+][C@H]1CC[C@H](OCCC(C)C)CC1)[C@@H]1CCCN1 ZINC000629531175 350704372 /nfs/dbraw/zinc/70/43/72/350704372.db2.gz CKRBBWYFUNCXGP-XSLAGTTESA-N 1 3 296.499 3.481 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1CC(F)(F)F ZINC000629554951 350712093 /nfs/dbraw/zinc/71/20/93/350712093.db2.gz OYZRYHWSORRZQC-JSGCOSHPSA-N 1 3 286.341 3.008 20 0 CGADHO CCC(C)(C)CCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561512 350713972 /nfs/dbraw/zinc/71/39/72/350713972.db2.gz IGEDKNXLEPNFAK-VXGBXAGGSA-N 1 3 280.378 3.272 20 0 CGADHO CCc1nc(C(C)C)ccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000629511638 350699257 /nfs/dbraw/zinc/69/92/57/350699257.db2.gz LKILFMLHWGNGHW-CQSZACIVSA-N 1 3 289.467 3.327 20 0 CGADHO C[C@H]([NH3+])c1ccc(-c2cccc(OCCN(C)C)c2)cc1 ZINC000629700781 350744309 /nfs/dbraw/zinc/74/43/09/350744309.db2.gz NTDKPPPKXVWYOU-AWEZNQCLSA-N 1 3 284.403 3.314 20 0 CGADHO CCC(C)(C)[C@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000630072475 350806628 /nfs/dbraw/zinc/80/66/28/350806628.db2.gz LYWQVDUJGQIXKD-ZDUSSCGKSA-N 1 3 260.425 3.247 20 0 CGADHO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]CC1=CCN(C)CC1 ZINC000631606475 351088189 /nfs/dbraw/zinc/08/81/89/351088189.db2.gz JPRSMEITDQJJDH-OAHLLOKOSA-N 1 3 297.446 3.341 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631891055 351152535 /nfs/dbraw/zinc/15/25/35/351152535.db2.gz VRFXBZAAHQBVNR-LMMKCTJWSA-N 1 3 284.447 3.180 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631891055 351152536 /nfs/dbraw/zinc/15/25/36/351152536.db2.gz VRFXBZAAHQBVNR-LMMKCTJWSA-N 1 3 284.447 3.180 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc3cnccc32)C1 ZINC000634733031 351578421 /nfs/dbraw/zinc/57/84/21/351578421.db2.gz VLTWGZCWKGHVBB-MRXNPFEDSA-N 1 3 283.419 3.103 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000634734191 351580028 /nfs/dbraw/zinc/58/00/28/351580028.db2.gz ZEDXYFPPBLNTSN-MRXNPFEDSA-N 1 3 290.451 3.213 20 0 CGADHO C1CC12CCC[C@H]2[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000635003045 351622006 /nfs/dbraw/zinc/62/20/06/351622006.db2.gz FMPBRYNFDJSJDO-XUWVNRHRSA-N 1 3 262.441 3.220 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000635005907 351623368 /nfs/dbraw/zinc/62/33/68/351623368.db2.gz QFOFHZZUUYWRCV-UEKVPHQBSA-N 1 3 280.362 3.059 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000635005881 351624056 /nfs/dbraw/zinc/62/40/56/351624056.db2.gz PYVBQLCYNZYOMZ-DJIMGWMZSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccsc1 ZINC000635006244 351624549 /nfs/dbraw/zinc/62/45/49/351624549.db2.gz BIGPPWHRRBLOLW-GFCCVEGCSA-N 1 3 272.417 3.245 20 0 CGADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1nc2c(s1)CCCC2 ZINC000635006820 351624719 /nfs/dbraw/zinc/62/47/19/351624719.db2.gz TUEIPNJVVTXXRI-AVGNSLFASA-N 1 3 293.480 3.190 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635008314 351626556 /nfs/dbraw/zinc/62/65/56/351626556.db2.gz RKJUTTVXRDNSFI-IKGGRYGDSA-N 1 3 260.425 3.115 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCC23CCCC3)c2c(c1)CNCC2 ZINC000635009608 351627410 /nfs/dbraw/zinc/62/74/10/351627410.db2.gz IMTXKULCWCTVLL-QGZVFWFLSA-N 1 3 270.420 3.145 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635010432 351628360 /nfs/dbraw/zinc/62/83/60/351628360.db2.gz KWJROECTQIPKQM-FQEVSTJZSA-N 1 3 292.426 3.418 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010026 351628471 /nfs/dbraw/zinc/62/84/71/351628471.db2.gz IRQJXKXTWPOWIP-STQMWFEESA-N 1 3 266.454 3.485 20 0 CGADHO N[C@@H](CC[NH2+][C@@H]1CCC12CCCC2)Cc1ccccc1 ZINC000635010217 351628608 /nfs/dbraw/zinc/62/86/08/351628608.db2.gz ZDPSEPXTHGSMHY-DLBZAZTESA-N 1 3 272.436 3.259 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)Cc1ccccc1 ZINC000635010200 351628712 /nfs/dbraw/zinc/62/87/12/351628712.db2.gz ZAKVUZDRTYEEOU-FGTMMUONSA-N 1 3 272.436 3.115 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000635013483 351631666 /nfs/dbraw/zinc/63/16/66/351631666.db2.gz YLECYCCCZMTUFV-WMLDXEAASA-N 1 3 288.435 3.050 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000365067578 234080823 /nfs/dbraw/zinc/08/08/23/234080823.db2.gz IHWQRBRQVJVYHX-IECFSIQFSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CC[C@@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108429 198166515 /nfs/dbraw/zinc/16/65/15/198166515.db2.gz ISFHUCSXZCPEBQ-QGZVFWFLSA-N 1 3 292.854 3.300 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108429 198166517 /nfs/dbraw/zinc/16/65/17/198166517.db2.gz ISFHUCSXZCPEBQ-QGZVFWFLSA-N 1 3 292.854 3.300 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1F ZINC000152788444 188043918 /nfs/dbraw/zinc/04/39/18/188043918.db2.gz SBUUFBOTMUAPGY-HEHGZKQESA-N 1 3 294.414 3.043 20 0 CGADHO COc1ccc2ccccc2c1CNCC1=CC[N@H+](C)CC1 ZINC000271837606 191359658 /nfs/dbraw/zinc/35/96/58/191359658.db2.gz QAGMVBPNWSQWLA-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO COc1ccc2ccccc2c1CNCC1=CC[N@@H+](C)CC1 ZINC000271837606 191359661 /nfs/dbraw/zinc/35/96/61/191359661.db2.gz QAGMVBPNWSQWLA-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1=CCN(C)CC1 ZINC000271891555 191394317 /nfs/dbraw/zinc/39/43/17/191394317.db2.gz SARVJMYPBSTUSC-YOEHRIQHSA-N 1 3 270.420 3.395 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271897479 191397027 /nfs/dbraw/zinc/39/70/27/191397027.db2.gz UOGRDYIJCHTQGG-AWEZNQCLSA-N 1 3 258.409 3.162 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414801856 235467435 /nfs/dbraw/zinc/46/74/35/235467435.db2.gz MIGQGLSTMXDERO-XSLAGTTESA-N 1 3 272.436 3.115 20 0 CGADHO CC1CCC(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000089577888 138343130 /nfs/dbraw/zinc/34/31/30/138343130.db2.gz FMIURBVPQAJCDM-OZEOOWDWSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000111611473 138364674 /nfs/dbraw/zinc/36/46/74/138364674.db2.gz LFZTXDXXDUNPMI-LLVKDONJSA-N 1 3 286.341 3.265 20 0 CGADHO CC(C)(C)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000123934310 138371550 /nfs/dbraw/zinc/37/15/50/138371550.db2.gz DTYZVQOPYDARPQ-UHFFFAOYSA-N 1 3 261.413 3.076 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422719034 235908826 /nfs/dbraw/zinc/90/88/26/235908826.db2.gz QQEFRTCJRCPSIX-BXUZGUMPSA-N 1 3 287.234 3.253 20 0 CGADHO Cc1ccc2ncc(C[N@H+]3CC[C@]4(CCN(C)C4)C3)cc2c1 ZINC000336279172 213116141 /nfs/dbraw/zinc/11/61/41/213116141.db2.gz UTDBRLZCGPULCZ-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccc2ncc(C[N@@H+]3CC[C@]4(CCN(C)C4)C3)cc2c1 ZINC000336279172 213116144 /nfs/dbraw/zinc/11/61/44/213116144.db2.gz UTDBRLZCGPULCZ-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO Cc1cc2cc([C@H](C)[NH2+][C@@H](CN)C3CC3)oc2cc1C ZINC000423279604 236020236 /nfs/dbraw/zinc/02/02/36/236020236.db2.gz RPXBQGKFZMWZSH-WFASDCNBSA-N 1 3 272.392 3.438 20 0 CGADHO CCOc1ccc([C@H](CC)[NH2+]CC(C)(C)N)cc1OCC ZINC000423282219 236022436 /nfs/dbraw/zinc/02/24/36/236022436.db2.gz CLFYTMNDXUVUQO-AWEZNQCLSA-N 1 3 294.439 3.262 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423294629 236027600 /nfs/dbraw/zinc/02/76/00/236027600.db2.gz CLQVXPIPQRVDRY-MNOVXSKESA-N 1 3 288.407 3.289 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423297928 236029591 /nfs/dbraw/zinc/02/95/91/236029591.db2.gz MLVILKONXSDLDF-MLGOLLRUSA-N 1 3 264.388 3.241 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1N(C)C ZINC000423265945 236014358 /nfs/dbraw/zinc/01/43/58/236014358.db2.gz BLJXNVGCCXLECX-XEZPLFJOSA-N 1 3 293.430 3.060 20 0 CGADHO CCCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000262037127 283280172 /nfs/dbraw/zinc/28/01/72/283280172.db2.gz XWCQCYQGLJYSOG-NVXWUHKLSA-N 1 3 287.451 3.171 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423308498 236033082 /nfs/dbraw/zinc/03/30/82/236033082.db2.gz OMYOOFFEGDOYHR-IAQYHMDHSA-N 1 3 266.816 3.366 20 0 CGADHO Cc1c2ccccc2oc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423348818 236045950 /nfs/dbraw/zinc/04/59/50/236045950.db2.gz VDFSYYXSIPBLQE-CYBMUJFWSA-N 1 3 270.376 3.312 20 0 CGADHO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)ccc1SC ZINC000423392442 236060436 /nfs/dbraw/zinc/06/04/36/236060436.db2.gz QEIIIHBQDXHSMF-UBHSHLNASA-N 1 3 294.464 3.338 20 0 CGADHO Cc1cc([C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C2CC2)ccc1F ZINC000423364582 236051734 /nfs/dbraw/zinc/05/17/34/236051734.db2.gz AWAGSHSTSFKNRR-ZMSDIMECSA-N 1 3 276.399 3.445 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423407423 236066170 /nfs/dbraw/zinc/06/61/70/236066170.db2.gz VTKWEJSWCGEAQZ-XIRDDKMYSA-N 1 3 272.436 3.268 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCNC[C@@H]1C ZINC000423407423 236066172 /nfs/dbraw/zinc/06/61/72/236066172.db2.gz VTKWEJSWCGEAQZ-XIRDDKMYSA-N 1 3 272.436 3.268 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)[C@H](C)N ZINC000423434612 236069937 /nfs/dbraw/zinc/06/99/37/236069937.db2.gz DBTNTEXKJQSXCW-SXMVTHIZSA-N 1 3 273.207 3.306 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000424282715 236142486 /nfs/dbraw/zinc/14/24/86/236142486.db2.gz AEPWBOSFPCAWNI-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436303519 237078191 /nfs/dbraw/zinc/07/81/91/237078191.db2.gz CTDXRUBIFDGWOT-TZMCWYRMSA-N 1 3 289.398 3.269 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)c1ccccn1 ZINC000423143135 296000403 /nfs/dbraw/zinc/00/04/03/296000403.db2.gz CKXVMYLGTNIHNX-HOTGVXAUSA-N 1 3 289.467 3.260 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1csc(C)c1 ZINC000297603640 200239578 /nfs/dbraw/zinc/23/95/78/200239578.db2.gz ICLGNVFQAVLIKX-UKRRQHHQSA-N 1 3 284.469 3.064 20 0 CGADHO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000177603050 189059301 /nfs/dbraw/zinc/05/93/01/189059301.db2.gz AIOVGIMULXIXBF-BPUTZDHNSA-N 1 3 276.424 3.219 20 0 CGADHO C[C@H](CCO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449162348 239213152 /nfs/dbraw/zinc/21/31/52/239213152.db2.gz RKPXLDIVQISZJH-CQSZACIVSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@H](CCO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449162348 239213157 /nfs/dbraw/zinc/21/31/57/239213157.db2.gz RKPXLDIVQISZJH-CQSZACIVSA-N 1 3 284.488 3.026 20 0 CGADHO CC[NH+]1CCC(Nc2ccnc3ccc(C)cc32)CC1 ZINC000302155771 201370570 /nfs/dbraw/zinc/37/05/70/201370570.db2.gz MOHYYRNKNRXVJH-UHFFFAOYSA-N 1 3 269.392 3.439 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646966 376190527 /nfs/dbraw/zinc/19/05/27/376190527.db2.gz DYLAHCJPSCYHKF-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646966 376190530 /nfs/dbraw/zinc/19/05/30/376190530.db2.gz DYLAHCJPSCYHKF-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000450727192 240054466 /nfs/dbraw/zinc/05/44/66/240054466.db2.gz LZUGZSNPSUQEGU-JSGCOSHPSA-N 1 3 286.410 3.274 20 0 CGADHO CC[C@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000120680956 370790784 /nfs/dbraw/zinc/79/07/84/370790784.db2.gz AHNRDDBBLBTPQY-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553253 242129022 /nfs/dbraw/zinc/12/90/22/242129022.db2.gz XLXJOSNHGUFSDC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC000459553253 242129026 /nfs/dbraw/zinc/12/90/26/242129026.db2.gz XLXJOSNHGUFSDC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553253 242129033 /nfs/dbraw/zinc/12/90/33/242129033.db2.gz XLXJOSNHGUFSDC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C3CC3)cc2)C1 ZINC000459553253 242129039 /nfs/dbraw/zinc/12/90/39/242129039.db2.gz XLXJOSNHGUFSDC-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360433 242089360 /nfs/dbraw/zinc/08/93/60/242089360.db2.gz FUAAJCGOLWXDKH-WDSOQIARSA-N 1 3 286.463 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360433 242089365 /nfs/dbraw/zinc/08/93/65/242089365.db2.gz FUAAJCGOLWXDKH-WDSOQIARSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360433 242089368 /nfs/dbraw/zinc/08/93/68/242089368.db2.gz FUAAJCGOLWXDKH-WDSOQIARSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360433 242089371 /nfs/dbraw/zinc/08/93/71/242089371.db2.gz FUAAJCGOLWXDKH-WDSOQIARSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[NH2+]C1CC(C(C)(C)C)C1)CN1CCCC1 ZINC000459392816 242097638 /nfs/dbraw/zinc/09/76/38/242097638.db2.gz QIYSFNHBSPLOIV-WLYUNCDWSA-N 1 3 252.446 3.133 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000459635977 242158553 /nfs/dbraw/zinc/15/85/53/242158553.db2.gz QTRWERUWMPDFER-BGTYHANMSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000459635977 242158558 /nfs/dbraw/zinc/15/85/58/242158558.db2.gz QTRWERUWMPDFER-BGTYHANMSA-N 1 3 294.483 3.187 20 0 CGADHO CC[N@@H+]1CCCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000462494450 242348405 /nfs/dbraw/zinc/34/84/05/242348405.db2.gz MDZQPEBYKFBXBC-UHFFFAOYSA-N 1 3 283.419 3.384 20 0 CGADHO CC[N@H+]1CCCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000462494450 242348408 /nfs/dbraw/zinc/34/84/08/242348408.db2.gz MDZQPEBYKFBXBC-UHFFFAOYSA-N 1 3 283.419 3.384 20 0 CGADHO CC[NH+]1CCC(NCc2cccc(C(C)C)c2)CC1 ZINC000480684678 243162166 /nfs/dbraw/zinc/16/21/66/243162166.db2.gz UTCDORIAZKPVQO-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CC1(C)C ZINC000486973716 243391324 /nfs/dbraw/zinc/39/13/24/243391324.db2.gz WASGEZSENNXZCQ-YOEHRIQHSA-N 1 3 290.451 3.151 20 0 CGADHO CCOc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000124149848 370920477 /nfs/dbraw/zinc/92/04/77/370920477.db2.gz NLABFAWUZOCNGJ-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO Fc1ccccc1C1CC([NH2+]CCCN2CCCC2)C1 ZINC000036843499 369033416 /nfs/dbraw/zinc/03/34/16/369033416.db2.gz NPFGEUYJGWTENG-UHFFFAOYSA-N 1 3 276.399 3.147 20 0 CGADHO Fc1ccccc1C1CC(NCCC[NH+]2CCCC2)C1 ZINC000036843499 369033425 /nfs/dbraw/zinc/03/34/25/369033425.db2.gz NPFGEUYJGWTENG-UHFFFAOYSA-N 1 3 276.399 3.147 20 0 CGADHO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037649308 369096892 /nfs/dbraw/zinc/09/68/92/369096892.db2.gz QPAFCKKRARPABK-LSDHHAIUSA-N 1 3 288.435 3.139 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037649527 369098171 /nfs/dbraw/zinc/09/81/71/369098171.db2.gz YOULCIPDELZFLV-STQMWFEESA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037649527 369098176 /nfs/dbraw/zinc/09/81/76/369098176.db2.gz YOULCIPDELZFLV-STQMWFEESA-N 1 3 264.438 3.191 20 0 CGADHO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357141 299397497 /nfs/dbraw/zinc/39/74/97/299397497.db2.gz HUYCBRORYJDNNY-UHIISALHSA-N 1 3 286.341 3.354 20 0 CGADHO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359225 299397568 /nfs/dbraw/zinc/39/75/68/299397568.db2.gz CYYSWAFRUPYVPG-IDGVSHLYSA-N 1 3 294.389 3.044 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000044515175 369264142 /nfs/dbraw/zinc/26/41/42/369264142.db2.gz ATPJFIAKTPOLKT-LBPRGKRZSA-N 1 3 266.816 3.332 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc3nc(C)sc3c2)C1 ZINC000494367062 244283583 /nfs/dbraw/zinc/28/35/83/244283583.db2.gz INESPPGPKLBKKR-CQSZACIVSA-N 1 3 289.448 3.036 20 0 CGADHO C[C@H](NCCCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000045664093 369283870 /nfs/dbraw/zinc/28/38/70/369283870.db2.gz XPUKKZZIQHWITJ-NSHDSACASA-N 1 3 272.795 3.472 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H]1C ZINC000127725376 370956140 /nfs/dbraw/zinc/95/61/40/370956140.db2.gz WKQHSYRVVUZZFO-QCODTGAPSA-N 1 3 250.430 3.028 20 0 CGADHO c1c2ccccc2oc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197940 369643831 /nfs/dbraw/zinc/64/38/31/369643831.db2.gz DGWWUMKSILRQJA-QGZVFWFLSA-N 1 3 284.403 3.397 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc(C)cs1 ZINC000083704628 370009800 /nfs/dbraw/zinc/00/98/00/370009800.db2.gz ZJRLJQABUHVNKV-GFCCVEGCSA-N 1 3 269.458 3.052 20 0 CGADHO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501066 296153374 /nfs/dbraw/zinc/15/33/74/296153374.db2.gz KXBSWUIINGXMSP-RISCZKNCSA-N 1 3 278.465 3.405 20 0 CGADHO CO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000513332295 245072660 /nfs/dbraw/zinc/07/26/60/245072660.db2.gz ZFSVEKYVZDMAMF-IAGOWNOFSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000513332295 245072662 /nfs/dbraw/zinc/07/26/62/245072662.db2.gz ZFSVEKYVZDMAMF-IAGOWNOFSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000131226213 371091228 /nfs/dbraw/zinc/09/12/28/371091228.db2.gz XPAWSWYWMIUQDL-OAHLLOKOSA-N 1 3 282.472 3.043 20 0 CGADHO COc1ccc2cc(CN3CC[C@@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000132215809 371159383 /nfs/dbraw/zinc/15/93/83/371159383.db2.gz LCGHGIMHCCOKCO-SUMWQHHRSA-N 1 3 284.403 3.018 20 0 CGADHO CC[C@H](CSC)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000132471650 371177962 /nfs/dbraw/zinc/17/79/62/371177962.db2.gz WUCJBOLJWDUDSW-MCIONIFRSA-N 1 3 258.475 3.028 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000537852087 376204000 /nfs/dbraw/zinc/20/40/00/376204000.db2.gz UMLHTOPBCOOWFJ-IKGGRYGDSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000537852087 376204006 /nfs/dbraw/zinc/20/40/06/376204006.db2.gz UMLHTOPBCOOWFJ-IKGGRYGDSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000134409516 371332084 /nfs/dbraw/zinc/33/20/84/371332084.db2.gz PAIOEXPHFZXEFU-PBHICJAKSA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000134409516 371332090 /nfs/dbraw/zinc/33/20/90/371332090.db2.gz PAIOEXPHFZXEFU-PBHICJAKSA-N 1 3 260.425 3.240 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(OC)cc2)C1 ZINC000151112814 371570245 /nfs/dbraw/zinc/57/02/45/371570245.db2.gz CNOHVCDNHUZSTR-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(OC)cc2)C1 ZINC000151112814 371570251 /nfs/dbraw/zinc/57/02/51/371570251.db2.gz CNOHVCDNHUZSTR-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(OC)cc2)C1 ZINC000151112814 371570257 /nfs/dbraw/zinc/57/02/57/371570257.db2.gz CNOHVCDNHUZSTR-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC)cc2)C1 ZINC000151139381 371574904 /nfs/dbraw/zinc/57/49/04/371574904.db2.gz JDNJSZLEVIXGJL-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000152165919 371679232 /nfs/dbraw/zinc/67/92/32/371679232.db2.gz SNQDUMGUGCHGKD-KGLIPLIRSA-N 1 3 264.413 3.076 20 0 CGADHO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000422560763 371749473 /nfs/dbraw/zinc/74/94/73/371749473.db2.gz YWOABTCGCVVDHN-WBVHZDCISA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000422560763 371749481 /nfs/dbraw/zinc/74/94/81/371749481.db2.gz YWOABTCGCVVDHN-WBVHZDCISA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000422565749 371753171 /nfs/dbraw/zinc/75/31/71/371753171.db2.gz ZYUHKNMVWXTUHT-YRGRVCCFSA-N 1 3 298.377 3.093 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000422763640 371791903 /nfs/dbraw/zinc/79/19/03/371791903.db2.gz UGMVBYVXBJTUKV-RDBSUJKOSA-N 1 3 294.439 3.260 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc2ccccc2c1 ZINC000422704656 371759335 /nfs/dbraw/zinc/75/93/35/371759335.db2.gz QDYJBASMNNBCFB-RDTXWAMCSA-N 1 3 268.404 3.318 20 0 CGADHO Cc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c(C)c1 ZINC000422703410 371759354 /nfs/dbraw/zinc/75/93/54/371759354.db2.gz NCYWJGRCFHWAIX-OAHLLOKOSA-N 1 3 297.446 3.359 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1Cl ZINC000422703957 371760100 /nfs/dbraw/zinc/76/01/00/371760100.db2.gz JLDGGABTHPKEDF-IUODEOHRSA-N 1 3 280.843 3.335 20 0 CGADHO Fc1ccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000422712951 371763116 /nfs/dbraw/zinc/76/31/16/371763116.db2.gz JCQRGAQVYHTDHF-DLBZAZTESA-N 1 3 276.399 3.399 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@H](CC(F)(F)F)c1ccccc1 ZINC000422709642 371763434 /nfs/dbraw/zinc/76/34/34/371763434.db2.gz KYHDMIZQNICKAV-WCQYABFASA-N 1 3 274.330 3.397 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1cccc(C(F)(F)F)c1 ZINC000422710054 371763977 /nfs/dbraw/zinc/76/39/77/371763977.db2.gz DTEABVQDNZNWEH-ZIAGYGMSSA-N 1 3 286.341 3.107 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2c1C ZINC000422720450 371768212 /nfs/dbraw/zinc/76/82/12/371768212.db2.gz MNMTYHGYGZLCLX-DOTOQJQBSA-N 1 3 285.435 3.392 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422727810 371770825 /nfs/dbraw/zinc/77/08/25/371770825.db2.gz HYZGOZJJBBKPJN-KLHDSHLOSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)cc2c1C ZINC000422726223 371771103 /nfs/dbraw/zinc/77/11/03/371771103.db2.gz ZJIVYSPBWRRCSY-YVEFUNNKSA-N 1 3 285.435 3.262 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422732761 371771628 /nfs/dbraw/zinc/77/16/28/371771628.db2.gz ALGGBLUPKZAQOA-BVPBIZIASA-N 1 3 290.426 3.440 20 0 CGADHO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCCCN1 ZINC000422743533 371779626 /nfs/dbraw/zinc/77/96/26/371779626.db2.gz RQPDTAVRDFDHIY-STQMWFEESA-N 1 3 295.496 3.103 20 0 CGADHO Fc1ccc(F)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422817116 371829182 /nfs/dbraw/zinc/82/91/82/371829182.db2.gz CGWHHCXMEWKLJS-DJIMGWMZSA-N 1 3 294.389 3.018 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000422835766 371832929 /nfs/dbraw/zinc/83/29/29/371832929.db2.gz JAVZVOMYXRSPNU-RDJZCZTQSA-N 1 3 274.452 3.244 20 0 CGADHO CCc1ccc([C@H](N[C@@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422774912 371799374 /nfs/dbraw/zinc/79/93/74/371799374.db2.gz YXHGQDRRWADTCJ-SUMWQHHRSA-N 1 3 260.425 3.144 20 0 CGADHO CCc1ccc([C@H]([NH2+][C@@H](C)C2CNC2)C(C)C)cc1 ZINC000422774912 371799378 /nfs/dbraw/zinc/79/93/78/371799378.db2.gz YXHGQDRRWADTCJ-SUMWQHHRSA-N 1 3 260.425 3.144 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422774580 371799485 /nfs/dbraw/zinc/79/94/85/371799485.db2.gz XNLKAAPHVWHPLN-LMCYLSQRSA-N 1 3 296.499 3.323 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422795156 371814068 /nfs/dbraw/zinc/81/40/68/371814068.db2.gz ZRFUESOTZPOKGO-YUELXQCFSA-N 1 3 275.440 3.468 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000422805175 371820411 /nfs/dbraw/zinc/82/04/11/371820411.db2.gz GODBJDFDAZZTKC-HKUYNNGSSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422805175 371820421 /nfs/dbraw/zinc/82/04/21/371820421.db2.gz GODBJDFDAZZTKC-HKUYNNGSSA-N 1 3 298.430 3.326 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2cc(F)ccc2F)c2ccccc21 ZINC000422808108 371822444 /nfs/dbraw/zinc/82/24/44/371822444.db2.gz AGMXIXHTXZRYBO-DLBZAZTESA-N 1 3 288.341 3.242 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422815085 371826416 /nfs/dbraw/zinc/82/64/16/371826416.db2.gz ASUWNAIDGOBKOU-WUHRBBMRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCN1 ZINC000422815085 371826421 /nfs/dbraw/zinc/82/64/21/371826421.db2.gz ASUWNAIDGOBKOU-WUHRBBMRSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422814900 371827761 /nfs/dbraw/zinc/82/77/61/371827761.db2.gz WIYKDKCHKBYRIT-RYQLBKOJSA-N 1 3 274.452 3.404 20 0 CGADHO CSCc1cc(F)ccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422866842 371844830 /nfs/dbraw/zinc/84/48/30/371844830.db2.gz RHFJQQNVBWOFSH-BLLLJJGKSA-N 1 3 296.455 3.296 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422864794 371845384 /nfs/dbraw/zinc/84/53/84/371845384.db2.gz WCJHIOLGERZVCL-NVXWUHKLSA-N 1 3 274.452 3.250 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cccc(-c2ccccc2)c1 ZINC000422883416 371852992 /nfs/dbraw/zinc/85/29/92/371852992.db2.gz BYVXOSHGKFIKRX-OALUTQOASA-N 1 3 280.415 3.366 20 0 CGADHO Clc1ccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422945628 371885400 /nfs/dbraw/zinc/88/54/00/371885400.db2.gz NLXKQWVONHBJBV-XYPWUTKMSA-N 1 3 278.827 3.145 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422895969 371859993 /nfs/dbraw/zinc/85/99/93/371859993.db2.gz GYPIYEVPSAQTJN-HIFRSBDPSA-N 1 3 296.842 3.134 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1ccccc1Cl ZINC000422918726 371870067 /nfs/dbraw/zinc/87/00/67/371870067.db2.gz IMPWEENZYQZDAG-IPYPFGDCSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1Cl ZINC000422918726 371870071 /nfs/dbraw/zinc/87/00/71/371870071.db2.gz IMPWEENZYQZDAG-IPYPFGDCSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422930075 371876154 /nfs/dbraw/zinc/87/61/54/371876154.db2.gz SAGVRIFSLZFJFM-VNHYZAJKSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422931535 371877945 /nfs/dbraw/zinc/87/79/45/371877945.db2.gz XTKYKGDBTIKYQT-HBNTYKKESA-N 1 3 290.329 3.362 20 0 CGADHO CC[C@H](CN[C@H]1CCC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000422932308 371877969 /nfs/dbraw/zinc/87/79/69/371877969.db2.gz YZNMAAFKVFFWBM-LSDHHAIUSA-N 1 3 296.842 3.229 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940631 371881380 /nfs/dbraw/zinc/88/13/80/371881380.db2.gz HHJROGKIGWKNQI-GJZGRUSLSA-N 1 3 298.377 3.080 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422941396 371882951 /nfs/dbraw/zinc/88/29/51/371882951.db2.gz HZELNGMNYXZBPB-BEFAXECRSA-N 1 3 282.431 3.360 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccc2ccccc2c1 ZINC000422941396 371882959 /nfs/dbraw/zinc/88/29/59/371882959.db2.gz HZELNGMNYXZBPB-BEFAXECRSA-N 1 3 282.431 3.360 20 0 CGADHO Clc1cccc(CCN[C@H]2CCC[NH2+]CC2)c1Cl ZINC000422941612 371883232 /nfs/dbraw/zinc/88/32/32/371883232.db2.gz JRPVNAYBVCXQAC-LBPRGKRZSA-N 1 3 287.234 3.268 20 0 CGADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422941468 371883368 /nfs/dbraw/zinc/88/33/68/371883368.db2.gz OPHZOXICESXCHW-QJPTWQEYSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](Cc1ccc(Br)cc1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422941468 371883372 /nfs/dbraw/zinc/88/33/72/371883372.db2.gz OPHZOXICESXCHW-QJPTWQEYSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422844046 371835976 /nfs/dbraw/zinc/83/59/76/371835976.db2.gz KQZSKUMCLYAYEY-YOEHRIQHSA-N 1 3 290.426 3.225 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000422849836 371838303 /nfs/dbraw/zinc/83/83/03/371838303.db2.gz MKLDJJKZZZFQRA-RFGFWPKPSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422849836 371838310 /nfs/dbraw/zinc/83/83/10/371838310.db2.gz MKLDJJKZZZFQRA-RFGFWPKPSA-N 1 3 292.389 3.475 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@@H](C)C2CNC2)CCCCC1 ZINC000422859899 371842203 /nfs/dbraw/zinc/84/22/03/371842203.db2.gz LJAWLGXVQRVFDD-INIZCTEOSA-N 1 3 286.463 3.394 20 0 CGADHO Cc1ccccc1C1(CN[C@@H](C)C2C[NH2+]C2)CCCCC1 ZINC000422859899 371842209 /nfs/dbraw/zinc/84/22/09/371842209.db2.gz LJAWLGXVQRVFDD-INIZCTEOSA-N 1 3 286.463 3.394 20 0 CGADHO Fc1ccc(CCCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423062404 371941719 /nfs/dbraw/zinc/94/17/19/371941719.db2.gz MWPYOBXDIJUNGT-JWTNVVGKSA-N 1 3 290.426 3.411 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422968206 371895318 /nfs/dbraw/zinc/89/53/18/371895318.db2.gz QQYWODCKRJBMAO-LUKYLMHMSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1cccc(C(C)(C)C)c1 ZINC000422979053 371898674 /nfs/dbraw/zinc/89/86/74/371898674.db2.gz IUOFRUUDHLEFFR-KGLIPLIRSA-N 1 3 278.440 3.078 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000422981529 371901682 /nfs/dbraw/zinc/90/16/82/371901682.db2.gz ORFKTTFJCZFFNA-CABCVRRESA-N 1 3 258.365 3.182 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422997257 371908636 /nfs/dbraw/zinc/90/86/36/371908636.db2.gz UTQCODQDOAPODP-WBVHZDCISA-N 1 3 290.426 3.256 20 0 CGADHO CC[C@@H](CSc1ccc(C)c(C)c1)N[C@H](C)C1C[NH2+]C1 ZINC000423005382 371912723 /nfs/dbraw/zinc/91/27/23/371912723.db2.gz RSEFLJRIJGUCNV-ZBFHGGJFSA-N 1 3 292.492 3.372 20 0 CGADHO CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+][C@H](C)C1CNC1 ZINC000423005382 371912727 /nfs/dbraw/zinc/91/27/27/371912727.db2.gz RSEFLJRIJGUCNV-ZBFHGGJFSA-N 1 3 292.492 3.372 20 0 CGADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCO1 ZINC000423026545 371922232 /nfs/dbraw/zinc/92/22/32/371922232.db2.gz BLXACHUPVJLBQD-HSFUPAIVSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423038635 371928335 /nfs/dbraw/zinc/92/83/35/371928335.db2.gz OSTKFIUWPCXQFN-REBRKWNGSA-N 1 3 293.480 3.065 20 0 CGADHO C[C@H](N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423093726 371958638 /nfs/dbraw/zinc/95/86/38/371958638.db2.gz AEUGQCVZNWGEGF-GAFUQQFSSA-N 1 3 299.245 3.437 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)C1CNC1 ZINC000423093726 371958643 /nfs/dbraw/zinc/95/86/43/371958643.db2.gz AEUGQCVZNWGEGF-GAFUQQFSSA-N 1 3 299.245 3.437 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000423093420 371958989 /nfs/dbraw/zinc/95/89/89/371958989.db2.gz HJRVCYOSBWXGDX-ZQDZILKHSA-N 1 3 286.410 3.322 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423096935 371960544 /nfs/dbraw/zinc/96/05/44/371960544.db2.gz QBAKUOPTEUXQNU-UWIFEVILSA-N 1 3 290.426 3.440 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000423095242 371961225 /nfs/dbraw/zinc/96/12/25/371961225.db2.gz LTDVRWGJQCZQKZ-BRWVUGGUSA-N 1 3 282.472 3.092 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000423095242 371961232 /nfs/dbraw/zinc/96/12/32/371961232.db2.gz LTDVRWGJQCZQKZ-BRWVUGGUSA-N 1 3 282.472 3.092 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423099278 371962618 /nfs/dbraw/zinc/96/26/18/371962618.db2.gz LWCAYTKBVVKXTN-JDEYZFBPSA-N 1 3 272.436 3.356 20 0 CGADHO c1cc2cc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423098733 371962636 /nfs/dbraw/zinc/96/26/36/371962636.db2.gz LCQNGDCMGIHJBD-BHIYHBOVSA-N 1 3 297.446 3.221 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099588 371963613 /nfs/dbraw/zinc/96/36/13/371963613.db2.gz FPBKZGUIEUPQAE-WCQYABFASA-N 1 3 286.872 3.441 20 0 CGADHO Cc1ccsc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000290342351 371968127 /nfs/dbraw/zinc/96/81/27/371968127.db2.gz FMMNUMFLZPTKRY-HNNXBMFYSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1ccsc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000290342351 371968134 /nfs/dbraw/zinc/96/81/34/371968134.db2.gz FMMNUMFLZPTKRY-HNNXBMFYSA-N 1 3 278.465 3.220 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423105225 371968180 /nfs/dbraw/zinc/96/81/80/371968180.db2.gz YRKNLGRMSITJKO-ASNHAOSHSA-N 1 3 284.806 3.383 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423108990 371971442 /nfs/dbraw/zinc/97/14/42/371971442.db2.gz MZIFMCHQPQZBEZ-JHJVBQTASA-N 1 3 290.373 3.229 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423108988 371971551 /nfs/dbraw/zinc/97/15/51/371971551.db2.gz MZIFMCHQPQZBEZ-FRRDWIJNSA-N 1 3 290.373 3.229 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423110272 371972170 /nfs/dbraw/zinc/97/21/70/371972170.db2.gz VKXIVOSQTVXQLU-OCLKLICZSA-N 1 3 296.817 3.442 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423114087 371972906 /nfs/dbraw/zinc/97/29/06/371972906.db2.gz LHEOYFQXHNSKSL-WCQYABFASA-N 1 3 297.393 3.325 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423115518 371974996 /nfs/dbraw/zinc/97/49/96/371974996.db2.gz YDDJEJAXVVIWKC-QXAKKESOSA-N 1 3 297.446 3.487 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2sccc2c1 ZINC000423126498 371978407 /nfs/dbraw/zinc/97/84/07/371978407.db2.gz RVZJIAFBCVTGBZ-KBPBESRZSA-N 1 3 260.406 3.118 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2sccc2c1 ZINC000423126500 371978715 /nfs/dbraw/zinc/97/87/15/371978715.db2.gz RVZJIAFBCVTGBZ-KGLIPLIRSA-N 1 3 260.406 3.118 20 0 CGADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000290397504 371980946 /nfs/dbraw/zinc/98/09/46/371980946.db2.gz JDTRGSZTIWCEFJ-HNNXBMFYSA-N 1 3 294.389 3.129 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1nccn1-c1ccccc1 ZINC000423134098 371984266 /nfs/dbraw/zinc/98/42/66/371984266.db2.gz WKQHFHFXNVCCHH-HUUCEWRRSA-N 1 3 286.423 3.040 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454539 371991311 /nfs/dbraw/zinc/99/13/11/371991311.db2.gz MMNCFCUARGXXJF-DOTOQJQBSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454539 371991315 /nfs/dbraw/zinc/99/13/15/371991315.db2.gz MMNCFCUARGXXJF-DOTOQJQBSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000423161333 371995702 /nfs/dbraw/zinc/99/57/02/371995702.db2.gz IZZMSSSLIFEMPS-RBSFLKMASA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CN)[C@@H]1c1ccccc1 ZINC000423167370 371999370 /nfs/dbraw/zinc/99/93/70/371999370.db2.gz DYMDOVYGJHIZSA-TWMKSMIVSA-N 1 3 272.436 3.143 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000423168484 371999413 /nfs/dbraw/zinc/99/94/13/371999413.db2.gz YBFUJKJTQSXHEV-OLZOCXBDSA-N 1 3 296.405 3.345 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NC1(Cc2cccc(Cl)c2)CC1 ZINC000423168497 371999762 /nfs/dbraw/zinc/99/97/62/371999762.db2.gz YCUYTGJMDUPWHM-VXGBXAGGSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000423168497 371999765 /nfs/dbraw/zinc/99/97/65/371999765.db2.gz YCUYTGJMDUPWHM-VXGBXAGGSA-N 1 3 266.816 3.131 20 0 CGADHO CCCC[C@H](COC)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000157364285 372017477 /nfs/dbraw/zinc/01/74/77/372017477.db2.gz RSIWFISPPBKQMZ-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@H](COC)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000157364285 372017481 /nfs/dbraw/zinc/01/74/81/372017481.db2.gz RSIWFISPPBKQMZ-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290588614 372024888 /nfs/dbraw/zinc/02/48/88/372024888.db2.gz VCFVYBUMCRMHMN-QUJHGWJTSA-N 1 3 272.436 3.362 20 0 CGADHO C/C(=C\c1ccccc1)CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000290588614 372024893 /nfs/dbraw/zinc/02/48/93/372024893.db2.gz VCFVYBUMCRMHMN-QUJHGWJTSA-N 1 3 272.436 3.362 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000423217838 372036496 /nfs/dbraw/zinc/03/64/96/372036496.db2.gz QPGQSPUDJXRVFE-RWMBFGLXSA-N 1 3 266.454 3.349 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@H]2CCCNC2)C[C@H]1c1ccccc1 ZINC000423220385 372040144 /nfs/dbraw/zinc/04/01/44/372040144.db2.gz YIXNYIDNIDUBEH-BHYGNILZSA-N 1 3 272.436 3.158 20 0 CGADHO CC1(C)[C@H](NC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423220385 372040148 /nfs/dbraw/zinc/04/01/48/372040148.db2.gz YIXNYIDNIDUBEH-BHYGNILZSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000423284593 372048229 /nfs/dbraw/zinc/04/82/29/372048229.db2.gz WZWQCDPCWVWEAV-KFZJALRRSA-N 1 3 258.409 3.342 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)c2ccccc21 ZINC000423284593 372048233 /nfs/dbraw/zinc/04/82/33/372048233.db2.gz WZWQCDPCWVWEAV-KFZJALRRSA-N 1 3 258.409 3.342 20 0 CGADHO CN[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384840 372058505 /nfs/dbraw/zinc/05/85/05/372058505.db2.gz IBBICYGMIGECSH-WBMJQRKESA-N 1 3 264.388 3.255 20 0 CGADHO NC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCCCC1 ZINC000423176165 372007292 /nfs/dbraw/zinc/00/72/92/372007292.db2.gz GJKPDGOPJHBUTB-INIZCTEOSA-N 1 3 258.409 3.389 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2N[C@@H]2CCC[NH2+]C2)cc1 ZINC000423181114 372008605 /nfs/dbraw/zinc/00/86/05/372008605.db2.gz FNNIAGFMGJRZDI-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO NC1(C[NH2+][C@H]2CCCc3ccccc32)CCCCC1 ZINC000423178950 372009110 /nfs/dbraw/zinc/00/91/10/372009110.db2.gz LKJKXTAJSMPESB-INIZCTEOSA-N 1 3 258.409 3.315 20 0 CGADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(C)c2)CC1 ZINC000159223571 372118177 /nfs/dbraw/zinc/11/81/77/372118177.db2.gz FVYPFJCUTLUGSM-MRXNPFEDSA-N 1 3 290.451 3.147 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000158965322 372095296 /nfs/dbraw/zinc/09/52/96/372095296.db2.gz WBUPKVAAZFBCIZ-CGTJXYLNSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000158965322 372095298 /nfs/dbraw/zinc/09/52/98/372095298.db2.gz WBUPKVAAZFBCIZ-CGTJXYLNSA-N 1 3 272.436 3.206 20 0 CGADHO Cc1nc(C(C)C)oc1CN1CCC(CC[NH+](C)C)CC1 ZINC000428447248 372202626 /nfs/dbraw/zinc/20/26/26/372202626.db2.gz NVWRRVUDQQOFMV-UHFFFAOYSA-N 1 3 293.455 3.270 20 0 CGADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344294490 217137479 /nfs/dbraw/zinc/13/74/79/217137479.db2.gz ITTZFDXHQJUKPO-DZGCQCFKSA-N 1 3 250.430 3.053 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cccn2CCC(C)C)C1 ZINC000161851044 372357144 /nfs/dbraw/zinc/35/71/44/372357144.db2.gz TVARCGONTVCSFD-KRWDZBQOSA-N 1 3 291.483 3.356 20 0 CGADHO CC(C)(C[NH2+]CCCN1CCCC1)c1ccccc1 ZINC000049332538 541875244 /nfs/dbraw/zinc/87/52/44/541875244.db2.gz LQIKFHYJBLOSRN-UHFFFAOYSA-N 1 3 260.425 3.040 20 0 CGADHO CC(C)(CNCCC[NH+]1CCCC1)c1ccccc1 ZINC000049332538 541875247 /nfs/dbraw/zinc/87/52/47/541875247.db2.gz LQIKFHYJBLOSRN-UHFFFAOYSA-N 1 3 260.425 3.040 20 0 CGADHO C[C@@H]1CC(CCN(C)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000430635270 372391885 /nfs/dbraw/zinc/39/18/85/372391885.db2.gz GLDYPERSCWYQCZ-KBPBESRZSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000162523596 372399724 /nfs/dbraw/zinc/39/97/24/372399724.db2.gz VWXOQPIVSLMSDV-GOSISDBHSA-N 1 3 290.451 3.151 20 0 CGADHO Cc1sccc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000293772441 372477246 /nfs/dbraw/zinc/47/72/46/372477246.db2.gz BGTVMPJBORWVJU-INIZCTEOSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1sccc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000293772441 372477253 /nfs/dbraw/zinc/47/72/53/372477253.db2.gz BGTVMPJBORWVJU-INIZCTEOSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1sccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000293650931 372436513 /nfs/dbraw/zinc/43/65/13/372436513.db2.gz SLBLOUNHGNHWKL-KBPBESRZSA-N 1 3 296.480 3.036 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC000163223124 372455847 /nfs/dbraw/zinc/45/58/47/372455847.db2.gz XLMTXFBPICHQCT-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432817793 372573755 /nfs/dbraw/zinc/57/37/55/372573755.db2.gz UCKSAJJDGYZPON-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432817793 372573759 /nfs/dbraw/zinc/57/37/59/372573759.db2.gz UCKSAJJDGYZPON-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432817794 372573902 /nfs/dbraw/zinc/57/39/02/372573902.db2.gz UCKSAJJDGYZPON-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432817794 372573906 /nfs/dbraw/zinc/57/39/06/372573906.db2.gz UCKSAJJDGYZPON-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(Cc1sccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435387115 372756822 /nfs/dbraw/zinc/75/68/22/372756822.db2.gz XDSQHCBEYFNWIH-CYBMUJFWSA-N 1 3 252.427 3.021 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@@H]12 ZINC000435391714 372757766 /nfs/dbraw/zinc/75/77/66/372757766.db2.gz XVCQTFGUHNOGIT-DJIMGWMZSA-N 1 3 282.387 3.116 20 0 CGADHO C[NH2+]CCCN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000435878697 372824183 /nfs/dbraw/zinc/82/41/83/372824183.db2.gz FGHBFRQDGXFIDP-OLZOCXBDSA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000435878697 372824192 /nfs/dbraw/zinc/82/41/92/372824192.db2.gz FGHBFRQDGXFIDP-OLZOCXBDSA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000435878697 372824203 /nfs/dbraw/zinc/82/42/03/372824203.db2.gz FGHBFRQDGXFIDP-OLZOCXBDSA-N 1 3 268.832 3.373 20 0 CGADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1N(C)C ZINC000295978969 372981174 /nfs/dbraw/zinc/98/11/74/372981174.db2.gz ONZNHAGGCXQCCQ-HNSVSWJLSA-N 1 3 287.451 3.028 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431911 373131387 /nfs/dbraw/zinc/13/13/87/373131387.db2.gz NGFNTXUVHRRWBG-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431911 373131391 /nfs/dbraw/zinc/13/13/91/373131391.db2.gz NGFNTXUVHRRWBG-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@H+]1CC[C@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431911 373131396 /nfs/dbraw/zinc/13/13/96/373131396.db2.gz NGFNTXUVHRRWBG-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO CC(C)(NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000444574491 373202823 /nfs/dbraw/zinc/20/28/23/373202823.db2.gz QIUFNHDZDSBQQP-UHFFFAOYSA-N 1 3 260.425 3.387 20 0 CGADHO COC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCCC1 ZINC000446940262 373385311 /nfs/dbraw/zinc/38/53/11/373385311.db2.gz DSQWCRZUFVRKHA-AEFFLSMTSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCCC1 ZINC000446940262 373385318 /nfs/dbraw/zinc/38/53/18/373385318.db2.gz DSQWCRZUFVRKHA-AEFFLSMTSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940262 373385324 /nfs/dbraw/zinc/38/53/24/373385324.db2.gz DSQWCRZUFVRKHA-AEFFLSMTSA-N 1 3 296.499 3.149 20 0 CGADHO COCC[NH+]1CCC(Nc2cc(C)nc3ccccc32)CC1 ZINC000299232271 373486848 /nfs/dbraw/zinc/48/68/48/373486848.db2.gz HCHYFVDBDWAPOR-UHFFFAOYSA-N 1 3 299.418 3.066 20 0 CGADHO CC(C)CC[NH+]1CCC(CNCc2ccco2)CC1 ZINC000175990751 373546324 /nfs/dbraw/zinc/54/63/24/373546324.db2.gz YBNBSBIJBLIJRR-UHFFFAOYSA-N 1 3 264.413 3.127 20 0 CGADHO Cc1ccccc1C[NH+]1CCC(NCc2cc[nH]c2)CC1 ZINC000176829392 373635429 /nfs/dbraw/zinc/63/54/29/373635429.db2.gz LKRVWZCNJAGHTC-UHFFFAOYSA-N 1 3 283.419 3.077 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000353649697 220224423 /nfs/dbraw/zinc/22/44/23/220224423.db2.gz TWQGLPDSRPNNCB-QGZVFWFLSA-N 1 3 285.435 3.474 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000353649697 220224427 /nfs/dbraw/zinc/22/44/27/220224427.db2.gz TWQGLPDSRPNNCB-QGZVFWFLSA-N 1 3 285.435 3.474 20 0 CGADHO Cc1cccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000353649701 220226491 /nfs/dbraw/zinc/22/64/91/220226491.db2.gz TXRGYOBBUHICMN-KRWDZBQOSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1cccc(C[N@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000353649701 220226494 /nfs/dbraw/zinc/22/64/94/220226494.db2.gz TXRGYOBBUHICMN-KRWDZBQOSA-N 1 3 260.425 3.301 20 0 CGADHO C[C@H]1CN(CCCC[NH2+]CC2CCCCC2)C[C@H](C)O1 ZINC000178894901 373815225 /nfs/dbraw/zinc/81/52/25/373815225.db2.gz CQOPADVVIRTQRQ-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C(C)(C)c1ccccc1 ZINC000181802862 374173405 /nfs/dbraw/zinc/17/34/05/374173405.db2.gz GHQREAQIQCDPKU-WBVHZDCISA-N 1 3 274.452 3.427 20 0 CGADHO C[C@@]1(C[NH2+]Cc2cccnc2)CCN(Cc2ccccc2)C1 ZINC000309694965 374193157 /nfs/dbraw/zinc/19/31/57/374193157.db2.gz DTXSQBGQRQVFBX-IBGZPJMESA-N 1 3 295.430 3.083 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000309737230 374194842 /nfs/dbraw/zinc/19/48/42/374194842.db2.gz UTKQIRJHWSHZIR-JEDBISTDSA-N 1 3 284.447 3.285 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000309893777 374201688 /nfs/dbraw/zinc/20/16/88/374201688.db2.gz FPZQVEGWYKXPFI-JQHSSLGASA-N 1 3 270.420 3.039 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](c1cccs1)C1CCCC1 ZINC000310500274 374218784 /nfs/dbraw/zinc/21/87/84/374218784.db2.gz JBUFYOWHFSRIOF-BXUZGUMPSA-N 1 3 252.427 3.164 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000310500274 374218788 /nfs/dbraw/zinc/21/87/88/374218788.db2.gz JBUFYOWHFSRIOF-BXUZGUMPSA-N 1 3 252.427 3.164 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc2ccccc21)CN(C)C ZINC000311975966 374264473 /nfs/dbraw/zinc/26/44/73/374264473.db2.gz PWVCZADSSFKFOA-AWEZNQCLSA-N 1 3 256.393 3.127 20 0 CGADHO C[C@@H](CNCc1cccc2ccccc21)C[NH+](C)C ZINC000311975966 374264478 /nfs/dbraw/zinc/26/44/78/374264478.db2.gz PWVCZADSSFKFOA-AWEZNQCLSA-N 1 3 256.393 3.127 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](c1ccco1)c1ccccc1 ZINC000312477989 374279038 /nfs/dbraw/zinc/27/90/38/374279038.db2.gz YCVARVSANBLZQB-WMLDXEAASA-N 1 3 272.392 3.476 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCSc2ccccc21 ZINC000250842848 189968234 /nfs/dbraw/zinc/96/82/34/189968234.db2.gz GLSYEOAXPLLOHU-QEJZJMRPSA-N 1 3 276.449 3.331 20 0 CGADHO c1ccc(C2CC2)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000094357688 541986811 /nfs/dbraw/zinc/98/68/11/541986811.db2.gz YDMWKXVDMAZHRQ-CQSZACIVSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc(C2CC2)c(CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000094357688 541986814 /nfs/dbraw/zinc/98/68/14/541986814.db2.gz YDMWKXVDMAZHRQ-CQSZACIVSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc(C2CC2)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000094357688 541986818 /nfs/dbraw/zinc/98/68/18/541986818.db2.gz YDMWKXVDMAZHRQ-CQSZACIVSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000186405643 374844520 /nfs/dbraw/zinc/84/45/20/374844520.db2.gz QPDWDIGUJSGOLN-KBXCAEBGSA-N 1 3 285.435 3.007 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186405643 374844523 /nfs/dbraw/zinc/84/45/23/374844523.db2.gz QPDWDIGUJSGOLN-KBXCAEBGSA-N 1 3 285.435 3.007 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCSCC1 ZINC000186945790 374943571 /nfs/dbraw/zinc/94/35/71/374943571.db2.gz OKNBJBMLYBMKMK-AWEZNQCLSA-N 1 3 292.492 3.370 20 0 CGADHO CC[C@H](CN1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020530 374993555 /nfs/dbraw/zinc/99/35/55/374993555.db2.gz JDTNUZQAVKUYPG-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000479479824 375152517 /nfs/dbraw/zinc/15/25/17/375152517.db2.gz KBNKXRYRKOPTLY-ZLIFDBKOSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000479479824 375152521 /nfs/dbraw/zinc/15/25/21/375152521.db2.gz KBNKXRYRKOPTLY-ZLIFDBKOSA-N 1 3 276.399 3.133 20 0 CGADHO CCSCC[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000482136414 375167412 /nfs/dbraw/zinc/16/74/12/375167412.db2.gz PUPJZZQHXIDAAG-GJZGRUSLSA-N 1 3 272.502 3.230 20 0 CGADHO CCSCCN[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482136414 375167416 /nfs/dbraw/zinc/16/74/16/375167416.db2.gz PUPJZZQHXIDAAG-GJZGRUSLSA-N 1 3 272.502 3.230 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000335483057 375321752 /nfs/dbraw/zinc/32/17/52/375321752.db2.gz JAGSRGRNRCLVFJ-GOEBONIOSA-N 1 3 278.827 3.318 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@H]1NC1CC[NH2+]CC1 ZINC000335483057 375321758 /nfs/dbraw/zinc/32/17/58/375321758.db2.gz JAGSRGRNRCLVFJ-GOEBONIOSA-N 1 3 278.827 3.318 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1cccc(Cl)c1)CN(C)C ZINC000491562639 375331192 /nfs/dbraw/zinc/33/11/92/375331192.db2.gz XPVWRXVHFLZHQW-CHWSQXEVSA-N 1 3 268.832 3.058 20 0 CGADHO CCN(CC)[C@@H](CNc1cc[nH+]cc1C)c1ccco1 ZINC000192539369 375762148 /nfs/dbraw/zinc/76/21/48/375762148.db2.gz VCJMARDJUXSCAJ-HNNXBMFYSA-N 1 3 273.380 3.478 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000518771005 375831244 /nfs/dbraw/zinc/83/12/44/375831244.db2.gz GZCNXLJMSJJYBC-SFHVURJKSA-N 1 3 298.455 3.266 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000537986819 376216050 /nfs/dbraw/zinc/21/60/50/376216050.db2.gz LOBPMGLTZJHDQF-GDBMZVCRSA-N 1 3 278.465 3.017 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000537986819 376216057 /nfs/dbraw/zinc/21/60/57/376216057.db2.gz LOBPMGLTZJHDQF-GDBMZVCRSA-N 1 3 278.465 3.017 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000226327180 376352540 /nfs/dbraw/zinc/35/25/40/376352540.db2.gz VJCKJRJPIFYZLG-NEPJUHHUSA-N 1 3 268.351 3.087 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CC[C@@H]2C2CC2)CC(C)(C)N1 ZINC000334275796 206295744 /nfs/dbraw/zinc/29/57/44/206295744.db2.gz CGUYPWCIEUCEOG-KGLIPLIRSA-N 1 3 250.430 3.074 20 0 CGADHO CN1CC=C(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000540608287 376385652 /nfs/dbraw/zinc/38/56/52/376385652.db2.gz XIUHLPHPBXZBPW-SFHVURJKSA-N 1 3 270.420 3.379 20 0 CGADHO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(OCCN(C)C)cc1 ZINC000540752808 376394242 /nfs/dbraw/zinc/39/42/42/376394242.db2.gz IELDDHWIXCYYII-AWEZNQCLSA-N 1 3 288.435 3.220 20 0 CGADHO Cc1cc([C@H](C)NCCC2CC[NH+](C)CC2)c(C)o1 ZINC000229937372 376478352 /nfs/dbraw/zinc/47/83/52/376478352.db2.gz IKRSNKGCLZGRDT-ZDUSSCGKSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000230411785 376517607 /nfs/dbraw/zinc/51/76/07/376517607.db2.gz JEXSLKGZJSKYCL-GJZGRUSLSA-N 1 3 273.424 3.076 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC000542549175 376558310 /nfs/dbraw/zinc/55/83/10/376558310.db2.gz AOZPZBZKDVKYRL-QZTJIDSGSA-N 1 3 292.442 3.467 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)[C@@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093559 376604758 /nfs/dbraw/zinc/60/47/58/376604758.db2.gz MGKFFKZPTIBJRY-DZKIICNBSA-N 1 3 280.481 3.484 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)[C@@H](C)Cc2ccsc2)C[C@@H]1C ZINC000543093559 376604766 /nfs/dbraw/zinc/60/47/66/376604766.db2.gz MGKFFKZPTIBJRY-DZKIICNBSA-N 1 3 280.481 3.484 20 0 CGADHO Cc1ccc([C@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000543253309 376624515 /nfs/dbraw/zinc/62/45/15/376624515.db2.gz OVVFXXMZLDPISI-ROUUACIJSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccc([C@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253309 376624526 /nfs/dbraw/zinc/62/45/26/376624526.db2.gz OVVFXXMZLDPISI-ROUUACIJSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1cccc([C@@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000543254346 376626429 /nfs/dbraw/zinc/62/64/29/376626429.db2.gz YBXASOYAEMFKAR-QZTJIDSGSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1cccc([C@@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254346 376626432 /nfs/dbraw/zinc/62/64/32/376626432.db2.gz YBXASOYAEMFKAR-QZTJIDSGSA-N 1 3 272.436 3.269 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000556762186 376875805 /nfs/dbraw/zinc/87/58/05/376875805.db2.gz KGRFVOVONBCINM-KBAYOESNSA-N 1 3 272.436 3.110 20 0 CGADHO CC1=CC[C@H]([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000556811856 376883424 /nfs/dbraw/zinc/88/34/24/376883424.db2.gz YSHDPWWTMDZPOD-CVEARBPZSA-N 1 3 250.430 3.339 20 0 CGADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000245911000 376931883 /nfs/dbraw/zinc/93/18/83/376931883.db2.gz MLAYECRCXSZDTL-IXDOHACOSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000245911000 376931888 /nfs/dbraw/zinc/93/18/88/376931888.db2.gz MLAYECRCXSZDTL-IXDOHACOSA-N 1 3 289.467 3.490 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246414397 377025983 /nfs/dbraw/zinc/02/59/83/377025983.db2.gz BTCXMKNJNRPEFQ-HKUYNNGSSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246414397 377025986 /nfs/dbraw/zinc/02/59/86/377025986.db2.gz BTCXMKNJNRPEFQ-HKUYNNGSSA-N 1 3 284.447 3.444 20 0 CGADHO C[C@H](F)CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000340468858 377081261 /nfs/dbraw/zinc/08/12/61/377081261.db2.gz UVEFTIGUTCIRKT-LEUOFYLZSA-N 1 3 290.426 3.235 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000247048891 377148418 /nfs/dbraw/zinc/14/84/18/377148418.db2.gz NCDBLVJTBYRVTA-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)s1 ZINC000560515264 377164062 /nfs/dbraw/zinc/16/40/62/377164062.db2.gz WOCVDAVKBCLRNA-OAGGEKHMSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000560515264 377164069 /nfs/dbraw/zinc/16/40/69/377164069.db2.gz WOCVDAVKBCLRNA-OAGGEKHMSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000560515264 377164077 /nfs/dbraw/zinc/16/40/77/377164077.db2.gz WOCVDAVKBCLRNA-OAGGEKHMSA-N 1 3 278.465 3.273 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000247240684 377183082 /nfs/dbraw/zinc/18/30/82/377183082.db2.gz YYBQYYVSKDYHIU-KGLIPLIRSA-N 1 3 293.480 3.150 20 0 CGADHO CC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248404210 377308028 /nfs/dbraw/zinc/30/80/28/377308028.db2.gz PRKGSEUSSDITCS-KKUMJFAQSA-N 1 3 252.446 3.275 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCc2ccccc2C1(C)C ZINC000562863100 377366513 /nfs/dbraw/zinc/36/65/13/377366513.db2.gz VWLRCXZZWJCDBO-INIZCTEOSA-N 1 3 272.436 3.264 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCc2ccccc2C1(C)C ZINC000562863100 377366518 /nfs/dbraw/zinc/36/65/18/377366518.db2.gz VWLRCXZZWJCDBO-INIZCTEOSA-N 1 3 272.436 3.264 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248544989 377342455 /nfs/dbraw/zinc/34/24/55/377342455.db2.gz DFRLLCYMQKUSOY-MJGOQNOKSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248544989 377342459 /nfs/dbraw/zinc/34/24/59/377342459.db2.gz DFRLLCYMQKUSOY-MJGOQNOKSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@H](Cc1ccccc1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248544989 377342464 /nfs/dbraw/zinc/34/24/64/377342464.db2.gz DFRLLCYMQKUSOY-MJGOQNOKSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000248987936 377438787 /nfs/dbraw/zinc/43/87/87/377438787.db2.gz KKLXOHSGNWGBRF-PMPSAXMXSA-N 1 3 282.472 3.044 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249095108 377460980 /nfs/dbraw/zinc/46/09/80/377460980.db2.gz FNFTVTDFGIBAIV-YOEHRIQHSA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249095108 377460996 /nfs/dbraw/zinc/46/09/96/377460996.db2.gz FNFTVTDFGIBAIV-YOEHRIQHSA-N 1 3 260.425 3.164 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC12CC2)CN1CCCC1 ZINC000563443364 377467955 /nfs/dbraw/zinc/46/79/55/377467955.db2.gz FPMGKCCNIHQJTN-CQSZACIVSA-N 1 3 250.430 3.031 20 0 CGADHO CCc1nc([C@@H](C)N[C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000162423823 542163968 /nfs/dbraw/zinc/16/39/68/542163968.db2.gz YUWYEJWJXQESRM-VXGBXAGGSA-N 1 3 281.469 3.086 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249175121 377474121 /nfs/dbraw/zinc/47/41/21/377474121.db2.gz DTJPJDJKIJGNAS-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249175121 377474132 /nfs/dbraw/zinc/47/41/32/377474132.db2.gz DTJPJDJKIJGNAS-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249175121 377474141 /nfs/dbraw/zinc/47/41/41/377474141.db2.gz DTJPJDJKIJGNAS-HUUCEWRRSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000249263331 377482372 /nfs/dbraw/zinc/48/23/72/377482372.db2.gz IEYNORSTSORSEM-FGTMMUONSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000249263331 377482378 /nfs/dbraw/zinc/48/23/78/377482378.db2.gz IEYNORSTSORSEM-FGTMMUONSA-N 1 3 294.483 3.142 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccccc2SC)C1 ZINC000249656597 377520371 /nfs/dbraw/zinc/52/03/71/377520371.db2.gz ZQSNQOGHTXERFL-ZIAGYGMSSA-N 1 3 278.465 3.401 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1OC ZINC000037644438 249003184 /nfs/dbraw/zinc/00/31/84/249003184.db2.gz KTSHPIOPLUFBKO-GDBMZVCRSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313069727 249085487 /nfs/dbraw/zinc/08/54/87/249085487.db2.gz IJBSKUHSBMKIJH-QLFBSQMISA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1nc(C2CCCCC2)cs1 ZINC000422907964 249127559 /nfs/dbraw/zinc/12/75/59/249127559.db2.gz CLWZATZWUALZOR-QWHCGFSZSA-N 1 3 295.496 3.449 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(F)c2)CCCCC1 ZINC000422907773 249126891 /nfs/dbraw/zinc/12/68/91/249126891.db2.gz XMAULCJZRMOWFC-SJORKVTESA-N 1 3 290.426 3.497 20 0 CGADHO CCC[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000469988530 249164408 /nfs/dbraw/zinc/16/44/08/249164408.db2.gz BWZHSDSFMRKFQY-DJIMGWMZSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000469988530 249164411 /nfs/dbraw/zinc/16/44/11/249164411.db2.gz BWZHSDSFMRKFQY-DJIMGWMZSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000469988530 249164414 /nfs/dbraw/zinc/16/44/14/249164414.db2.gz BWZHSDSFMRKFQY-DJIMGWMZSA-N 1 3 260.425 3.239 20 0 CGADHO Cc1ccccc1CCCN(C)CCC[NH+]1CCCC1 ZINC000499939093 249176897 /nfs/dbraw/zinc/17/68/97/249176897.db2.gz JMWJXECDLGWGLD-UHFFFAOYSA-N 1 3 274.452 3.345 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870500 249222754 /nfs/dbraw/zinc/22/27/54/249222754.db2.gz ZTBVJWZNAZXSRI-HNKHHVNMSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870500 249222755 /nfs/dbraw/zinc/22/27/55/249222755.db2.gz ZTBVJWZNAZXSRI-HNKHHVNMSA-N 1 3 278.827 3.446 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)cc1 ZINC000517031475 249254365 /nfs/dbraw/zinc/25/43/65/249254365.db2.gz GRCFHPOTYSPXPM-GFCCVEGCSA-N 1 3 258.340 3.135 20 0 CGADHO CC1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000251532340 377586603 /nfs/dbraw/zinc/58/66/03/377586603.db2.gz AJFZMBOWHDINTN-FJBKBRRZSA-N 1 3 250.430 3.029 20 0 CGADHO CCc1cccc(C[NH2+]C[C@H]2CCCN(CC)C2)c1 ZINC000575064702 377745433 /nfs/dbraw/zinc/74/54/33/377745433.db2.gz KEWRBLMZXJLURN-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCNCC1 ZINC000261561587 377817740 /nfs/dbraw/zinc/81/77/40/377817740.db2.gz FZJMEEAEHUWNBH-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCNCC1 ZINC000261561587 377817742 /nfs/dbraw/zinc/81/77/42/377817742.db2.gz FZJMEEAEHUWNBH-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1(C2CC2)CC1 ZINC000261564044 377818919 /nfs/dbraw/zinc/81/89/19/377818919.db2.gz CGVXAVRUIFSDDI-OAGGEKHMSA-N 1 3 262.441 3.077 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000261568999 377818978 /nfs/dbraw/zinc/81/89/78/377818978.db2.gz LMYOCCMCCXFJNI-MGPQQGTHSA-N 1 3 298.883 3.454 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000261590476 377823160 /nfs/dbraw/zinc/82/31/60/377823160.db2.gz XBWFNWGZDRMBAA-RBSFLKMASA-N 1 3 250.430 3.349 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc4ccccc34)C[C@@H]12 ZINC000261631281 377828301 /nfs/dbraw/zinc/82/83/01/377828301.db2.gz WAKUGTJNCITBMJ-KCPJHIHWSA-N 1 3 272.417 3.070 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(N(C)C)CC1 ZINC000183086611 542226836 /nfs/dbraw/zinc/22/68/36/542226836.db2.gz DDOAVVUVEXELBE-AWEZNQCLSA-N 1 3 278.415 3.173 20 0 CGADHO [NH3+]C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261871542 377863183 /nfs/dbraw/zinc/86/31/83/377863183.db2.gz XJDQYTHMVPBHTI-AEFFLSMTSA-N 1 3 284.378 3.000 20 0 CGADHO CN(C)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000262379403 377895148 /nfs/dbraw/zinc/89/51/48/377895148.db2.gz YMFLOLXTOMQGTI-GUDVDZBRSA-N 1 3 295.430 3.024 20 0 CGADHO COc1ccc2cc(CN3CCC[C@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000261823916 377857556 /nfs/dbraw/zinc/85/75/56/377857556.db2.gz AXPAQSARJLIAIV-KDOFPFPSSA-N 1 3 298.430 3.408 20 0 CGADHO [NH3+][C@@H]1CN([C@@H]2CCCc3ccccc32)C[C@H]1c1ccccc1 ZINC000261848982 377861321 /nfs/dbraw/zinc/86/13/21/377861321.db2.gz VBSAJMCTHJPJML-XUVXKRRUSA-N 1 3 292.426 3.491 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698833 295257090 /nfs/dbraw/zinc/25/70/90/295257090.db2.gz BGUIEWLNBJLTEO-SWLSCSKDSA-N 1 3 278.827 3.089 20 0 CGADHO Cc1ccoc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000343586470 378029594 /nfs/dbraw/zinc/02/95/94/378029594.db2.gz DULSFFJXBCJOOD-GJZGRUSLSA-N 1 3 278.440 3.436 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCOc2cccc3ccccc32)C1 ZINC000578549704 378080485 /nfs/dbraw/zinc/08/04/85/378080485.db2.gz XCLNGINYJKRFRH-CVEARBPZSA-N 1 3 284.403 3.078 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(COC)o1 ZINC000268787373 378111198 /nfs/dbraw/zinc/11/11/98/378111198.db2.gz KSAYVPQFBALWSL-CQSZACIVSA-N 1 3 282.428 3.026 20 0 CGADHO CC(C)Cc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000345150757 378207014 /nfs/dbraw/zinc/20/70/14/378207014.db2.gz ZATCOXTVXQFJNV-UHFFFAOYSA-N 1 3 272.436 3.237 20 0 CGADHO Cc1nsc(C)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000582189029 378291559 /nfs/dbraw/zinc/29/15/59/378291559.db2.gz DGLOKXPTGYPWDM-UHFFFAOYSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1nsc(C)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000582189029 378291563 /nfs/dbraw/zinc/29/15/63/378291563.db2.gz DGLOKXPTGYPWDM-UHFFFAOYSA-N 1 3 295.496 3.312 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@H]1c1ccccc1 ZINC000580768114 378257063 /nfs/dbraw/zinc/25/70/63/378257063.db2.gz QILYIDSQTKJZKK-IRXDYDNUSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000580768114 378257067 /nfs/dbraw/zinc/25/70/67/378257067.db2.gz QILYIDSQTKJZKK-IRXDYDNUSA-N 1 3 260.425 3.300 20 0 CGADHO COc1ccc([C@@H](NCC[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000272035617 378550686 /nfs/dbraw/zinc/55/06/86/378550686.db2.gz NVJLEEVFOVXUMK-WMZOPIPTSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@@H](NCC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035617 378550688 /nfs/dbraw/zinc/55/06/88/378550688.db2.gz NVJLEEVFOVXUMK-WMZOPIPTSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC000272035617 378550693 /nfs/dbraw/zinc/55/06/93/378550693.db2.gz NVJLEEVFOVXUMK-WMZOPIPTSA-N 1 3 288.435 3.220 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346570725 378626349 /nfs/dbraw/zinc/62/63/49/378626349.db2.gz WLPHHFPNWLBJFG-LUKYLMHMSA-N 1 3 282.472 3.044 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H]1CCCO1 ZINC000346570725 378626352 /nfs/dbraw/zinc/62/63/52/378626352.db2.gz WLPHHFPNWLBJFG-LUKYLMHMSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000346530041 378606038 /nfs/dbraw/zinc/60/60/38/378606038.db2.gz QMWUBDIWTWVQDN-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO C(C[C@H]1CCO1)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022649 378672481 /nfs/dbraw/zinc/67/24/81/378672481.db2.gz KFGQNLTUXRNLOE-MSOLQXFVSA-N 1 3 294.483 3.144 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000346677830 378672544 /nfs/dbraw/zinc/67/25/44/378672544.db2.gz LREPEBPZDHRRLS-STQMWFEESA-N 1 3 272.392 3.164 20 0 CGADHO CN(Cc1cc2ccccc2s1)CC(C)(C)C[NH3+] ZINC000346679889 378672979 /nfs/dbraw/zinc/67/29/79/378672979.db2.gz MIEYMIZDTNZLIG-UHFFFAOYSA-N 1 3 262.422 3.318 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000346849188 378694924 /nfs/dbraw/zinc/69/49/24/378694924.db2.gz RSVOWTRQOASZDP-ZBFHGGJFSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000346849188 378694931 /nfs/dbraw/zinc/69/49/31/378694931.db2.gz RSVOWTRQOASZDP-ZBFHGGJFSA-N 1 3 250.430 3.031 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181253 378725404 /nfs/dbraw/zinc/72/54/04/378725404.db2.gz YGHZXAQKFORIDT-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181253 378725411 /nfs/dbraw/zinc/72/54/11/378725411.db2.gz YGHZXAQKFORIDT-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181253 378725416 /nfs/dbraw/zinc/72/54/16/378725416.db2.gz YGHZXAQKFORIDT-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4ncccc34)CC[C@H]21 ZINC000638181253 378725420 /nfs/dbraw/zinc/72/54/20/378725420.db2.gz YGHZXAQKFORIDT-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070229 378775861 /nfs/dbraw/zinc/77/58/61/378775861.db2.gz IRQKKVZLXMBCDP-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000348070229 378775866 /nfs/dbraw/zinc/77/58/66/378775866.db2.gz IRQKKVZLXMBCDP-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414903581 296281692 /nfs/dbraw/zinc/28/16/92/296281692.db2.gz IPMDDZNSEUHINX-IIAWOOMASA-N 1 3 252.446 3.181 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346854243 218037686 /nfs/dbraw/zinc/03/76/86/218037686.db2.gz TZPLKYALOWVBHL-RCBQFDQVSA-N 1 3 278.827 3.126 20 0 CGADHO c1ccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346904475 218054724 /nfs/dbraw/zinc/05/47/24/218054724.db2.gz LVVASDQMHIXZMY-ROUUACIJSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000346904475 218054726 /nfs/dbraw/zinc/05/47/26/218054726.db2.gz LVVASDQMHIXZMY-ROUUACIJSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2([NH2+][C@H]3CCN4CCC[C@H]4C3)CCC2)cc1 ZINC000346904475 218054729 /nfs/dbraw/zinc/05/47/29/218054729.db2.gz LVVASDQMHIXZMY-ROUUACIJSA-N 1 3 284.447 3.368 20 0 CGADHO CC(C)CCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346972392 218074664 /nfs/dbraw/zinc/07/46/64/218074664.db2.gz HFQHVDPKICTTIW-MRXNPFEDSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)CCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346972392 218074666 /nfs/dbraw/zinc/07/46/66/218074666.db2.gz HFQHVDPKICTTIW-MRXNPFEDSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241383 378952857 /nfs/dbraw/zinc/95/28/57/378952857.db2.gz GWRUZEOGPRHITI-SWLSCSKDSA-N 1 3 298.377 3.060 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241383 378952860 /nfs/dbraw/zinc/95/28/60/378952860.db2.gz GWRUZEOGPRHITI-SWLSCSKDSA-N 1 3 298.377 3.060 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000347064284 218109732 /nfs/dbraw/zinc/10/97/32/218109732.db2.gz JQJDBWDUKCUFKE-ONEGZZNKSA-N 1 3 294.389 3.300 20 0 CGADHO C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000638970666 378961172 /nfs/dbraw/zinc/96/11/72/378961172.db2.gz MSKFMHXSWXKJKP-GDBMZVCRSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000638971887 378963064 /nfs/dbraw/zinc/96/30/64/378963064.db2.gz RTTHSUFWBFLLRY-BARDWOONSA-N 1 3 282.497 3.123 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000434779020 296285578 /nfs/dbraw/zinc/28/55/78/296285578.db2.gz UOCRLAVOGRSYKM-QPSCCSFWSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)Cc1ccccc1 ZINC000347320946 218190423 /nfs/dbraw/zinc/19/04/23/218190423.db2.gz JOQRUJKVWNJLHV-SJORKVTESA-N 1 3 274.452 3.187 20 0 CGADHO C[C@@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003331 379044205 /nfs/dbraw/zinc/04/42/05/379044205.db2.gz ASSAGBNZAPFWEE-YDHLFZDLSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003331 379044217 /nfs/dbraw/zinc/04/42/17/379044217.db2.gz ASSAGBNZAPFWEE-YDHLFZDLSA-N 1 3 296.842 3.180 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277103520 379070380 /nfs/dbraw/zinc/07/03/80/379070380.db2.gz GRKJWNDNNVXEPM-CVEARBPZSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277103520 379070386 /nfs/dbraw/zinc/07/03/86/379070386.db2.gz GRKJWNDNNVXEPM-CVEARBPZSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277103520 379070394 /nfs/dbraw/zinc/07/03/94/379070394.db2.gz GRKJWNDNNVXEPM-CVEARBPZSA-N 1 3 260.425 3.472 20 0 CGADHO C[C@H]1C[C@H](NC2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240476 379108455 /nfs/dbraw/zinc/10/84/55/379108455.db2.gz ZSKJMIOXEVZSRN-DZGCQCFKSA-N 1 3 294.389 3.427 20 0 CGADHO C[C@H]1C[C@H](NC2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240476 379108460 /nfs/dbraw/zinc/10/84/60/379108460.db2.gz ZSKJMIOXEVZSRN-DZGCQCFKSA-N 1 3 294.389 3.427 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(F)c(C)c1 ZINC000349403504 379267603 /nfs/dbraw/zinc/26/76/03/379267603.db2.gz BYLHUFPUHOORBZ-UHFFFAOYSA-N 1 3 278.415 3.442 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(F)c(C)c1 ZINC000349403504 379267615 /nfs/dbraw/zinc/26/76/15/379267615.db2.gz BYLHUFPUHOORBZ-UHFFFAOYSA-N 1 3 278.415 3.442 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410942 379271306 /nfs/dbraw/zinc/27/13/06/379271306.db2.gz VFWVMDIPJVLOAE-DLBZAZTESA-N 1 3 284.488 3.245 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410942 379271311 /nfs/dbraw/zinc/27/13/11/379271311.db2.gz VFWVMDIPJVLOAE-DLBZAZTESA-N 1 3 284.488 3.245 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000388821100 379889468 /nfs/dbraw/zinc/88/94/68/379889468.db2.gz WHLJRZAINDWGRE-HOTGVXAUSA-N 1 3 262.441 3.103 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000352792657 379964223 /nfs/dbraw/zinc/96/42/23/379964223.db2.gz BUZKCWYQAPEWAP-GFCCVEGCSA-N 1 3 284.494 3.292 20 0 CGADHO C[C@H]([NH2+]CCc1ccco1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000347913620 218397609 /nfs/dbraw/zinc/39/76/09/218397609.db2.gz APBKEVKQVPBPQT-WMZOPIPTSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@H](NCCc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347913620 218397612 /nfs/dbraw/zinc/39/76/12/218397612.db2.gz APBKEVKQVPBPQT-WMZOPIPTSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@H](NCCc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913620 218397617 /nfs/dbraw/zinc/39/76/17/218397617.db2.gz APBKEVKQVPBPQT-WMZOPIPTSA-N 1 3 298.430 3.322 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000410394592 380092299 /nfs/dbraw/zinc/09/22/99/380092299.db2.gz BZRHLLZNBJZJSH-CVEARBPZSA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410394592 380092305 /nfs/dbraw/zinc/09/23/05/380092305.db2.gz BZRHLLZNBJZJSH-CVEARBPZSA-N 1 3 254.462 3.332 20 0 CGADHO Cc1nc(-c2ccccc2)oc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000641797211 380111447 /nfs/dbraw/zinc/11/14/47/380111447.db2.gz XZVCXKLBONNCLT-CYBMUJFWSA-N 1 3 299.418 3.209 20 0 CGADHO CC(C)C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414189051 380200225 /nfs/dbraw/zinc/20/02/25/380200225.db2.gz QXQSNXZAQCJIJI-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189051 380200231 /nfs/dbraw/zinc/20/02/31/380200231.db2.gz QXQSNXZAQCJIJI-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCCOc3ccccc32)C1 ZINC000414200957 380202436 /nfs/dbraw/zinc/20/24/36/380202436.db2.gz XXYVIPRJLMMINX-WBVHZDCISA-N 1 3 288.435 3.222 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCCOc3ccccc32)C1 ZINC000414200957 380202439 /nfs/dbraw/zinc/20/24/39/380202439.db2.gz XXYVIPRJLMMINX-WBVHZDCISA-N 1 3 288.435 3.222 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643503548 380326129 /nfs/dbraw/zinc/32/61/29/380326129.db2.gz YRFQQSJYGLGNHT-CPUCHLNUSA-N 1 3 288.435 3.050 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000643522030 380337037 /nfs/dbraw/zinc/33/70/37/380337037.db2.gz GPFIVTGQVOIHKN-WBVHZDCISA-N 1 3 292.854 3.393 20 0 CGADHO c1ccc([C@H](CC2CC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643521989 380337324 /nfs/dbraw/zinc/33/73/24/380337324.db2.gz GEAJQOUCJMCZBC-IRXDYDNUSA-N 1 3 258.409 3.260 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)s1 ZINC000643521405 380335559 /nfs/dbraw/zinc/33/55/59/380335559.db2.gz FDOKYAXTMNTNBZ-NWDGAFQWSA-N 1 3 252.427 3.103 20 0 CGADHO NC1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CCC1 ZINC000643517989 380335782 /nfs/dbraw/zinc/33/57/82/380335782.db2.gz LRBDJLBSQNBTAL-HNNXBMFYSA-N 1 3 269.392 3.016 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc3cnccc3c2)C[C@@H]1C[NH3+] ZINC000643427671 380305043 /nfs/dbraw/zinc/30/50/43/380305043.db2.gz VFMAQCGAHWAKDQ-LBTNJELSSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCCNC1 ZINC000643458023 380310262 /nfs/dbraw/zinc/31/02/62/380310262.db2.gz QRYXJJMMQONFBJ-FIDHJVLJSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)[C@H]1CCCCO1 ZINC000643466786 380313016 /nfs/dbraw/zinc/31/30/16/380313016.db2.gz NLXCDBBYKAJUGV-IXDOHACOSA-N 1 3 296.499 3.482 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205272 380363660 /nfs/dbraw/zinc/36/36/60/380363660.db2.gz HTCVQNCREUJFAE-IRXDYDNUSA-N 1 3 290.451 3.260 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205272 380363665 /nfs/dbraw/zinc/36/36/65/380363665.db2.gz HTCVQNCREUJFAE-IRXDYDNUSA-N 1 3 290.451 3.260 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000643548472 380364402 /nfs/dbraw/zinc/36/44/02/380364402.db2.gz PYORUJKONIOFEO-GJZGRUSLSA-N 1 3 288.435 3.329 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643548656 380364463 /nfs/dbraw/zinc/36/44/63/380364463.db2.gz SSNPNJAETSGUPE-HOTGVXAUSA-N 1 3 264.457 3.466 20 0 CGADHO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643549008 380367107 /nfs/dbraw/zinc/36/71/07/380367107.db2.gz YYJNFFRTRBCABD-RRFJBIMHSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N(CCC[NH3+])C1CC1 ZINC000414701715 380380187 /nfs/dbraw/zinc/38/01/87/380380187.db2.gz KPUUUZNRJMFUCH-NSHDSACASA-N 1 3 252.789 3.214 20 0 CGADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000643522301 380339958 /nfs/dbraw/zinc/33/99/58/380339958.db2.gz LGEDGAWDDDBVAN-OCCSQVGLSA-N 1 3 278.465 3.420 20 0 CGADHO CC1(C)[C@H](N[C@H]2CCC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000643522851 380339990 /nfs/dbraw/zinc/33/99/90/380339990.db2.gz SZYGBUJRYXPYHA-GVDBMIGSSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCCNCC2)C[C@@H]1c1ccccc1 ZINC000643522851 380339994 /nfs/dbraw/zinc/33/99/94/380339994.db2.gz SZYGBUJRYXPYHA-GVDBMIGSSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000643527604 380342948 /nfs/dbraw/zinc/34/29/48/380342948.db2.gz PACZGRQSZAHXJU-ZLKJLUDKSA-N 1 3 286.341 3.278 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)NC[C@@H](C)[NH3+] ZINC000643528963 380346482 /nfs/dbraw/zinc/34/64/82/380346482.db2.gz RVDSKPGSPDUABZ-DOMZBBRYSA-N 1 3 268.832 3.234 20 0 CGADHO C[C@H](N)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529079 380346675 /nfs/dbraw/zinc/34/66/75/380346675.db2.gz ULKHSGAZLNRTNO-WCQYABFASA-N 1 3 287.432 3.124 20 0 CGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546444 380359385 /nfs/dbraw/zinc/35/93/85/380359385.db2.gz OXPDTIKRYBLKBR-MGPQQGTHSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643546662 380361589 /nfs/dbraw/zinc/36/15/89/380361589.db2.gz SOTQYVHNZVNOHI-NWDGAFQWSA-N 1 3 250.411 3.073 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc2ccccc2c1 ZINC000414814599 380426751 /nfs/dbraw/zinc/42/67/51/380426751.db2.gz ZIZXMEVUQZMELU-ZWKOTPCHSA-N 1 3 268.404 3.447 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414777227 380401199 /nfs/dbraw/zinc/40/11/99/380401199.db2.gz HUHRVXMODWJULU-CHWSQXEVSA-N 1 3 296.817 3.301 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414793584 380409184 /nfs/dbraw/zinc/40/91/84/380409184.db2.gz KTZJVLWHWFYIBO-GVDBMIGSSA-N 1 3 260.425 3.070 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(Cl)c(F)c1 ZINC000414793151 380409401 /nfs/dbraw/zinc/40/94/01/380409401.db2.gz DHFQRFOUFQVBDC-RISCZKNCSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414800554 380412593 /nfs/dbraw/zinc/41/25/93/380412593.db2.gz LBZJTDMMDFGFSZ-SNPRPXQTSA-N 1 3 266.454 3.176 20 0 CGADHO CC(C)(N)C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000414801680 380414246 /nfs/dbraw/zinc/41/42/46/380414246.db2.gz JPOSUYVXCQNXRF-UHFFFAOYSA-N 1 3 278.396 3.381 20 0 CGADHO C[C@H]([NH3+])c1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000414804472 380416389 /nfs/dbraw/zinc/41/63/89/380416389.db2.gz FENSPDGWYRNBBV-AWEZNQCLSA-N 1 3 283.419 3.062 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc(F)cc(Cl)c1 ZINC000414805374 380418380 /nfs/dbraw/zinc/41/83/80/380418380.db2.gz PPHZCWMEIMNLQB-FZMZJTMJSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2(C)CCNCC2)C1 ZINC000414932147 380493251 /nfs/dbraw/zinc/49/32/51/380493251.db2.gz CIYGJDDKVXYBSU-SJORKVTESA-N 1 3 272.436 3.229 20 0 CGADHO Cc1cc(Br)ccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414936909 380494983 /nfs/dbraw/zinc/49/49/83/380494983.db2.gz ZNKSCSKLDNTRIX-KBPBESRZSA-N 1 3 297.240 3.117 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414938235 380498069 /nfs/dbraw/zinc/49/80/69/380498069.db2.gz IDAKNMPJTOCACR-UXLLHSPISA-N 1 3 274.452 3.330 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414942447 380499612 /nfs/dbraw/zinc/49/96/12/380499612.db2.gz DLGIBAUBXDLDAF-YDHLFZDLSA-N 1 3 278.465 3.070 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414942447 380499618 /nfs/dbraw/zinc/49/96/18/380499618.db2.gz DLGIBAUBXDLDAF-YDHLFZDLSA-N 1 3 278.465 3.070 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000414942962 380499921 /nfs/dbraw/zinc/49/99/21/380499921.db2.gz DWEDMKZWWBUYPJ-OIISXLGYSA-N 1 3 260.425 3.156 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000414942959 380500832 /nfs/dbraw/zinc/50/08/32/380500832.db2.gz DWEDMKZWWBUYPJ-DJIMGWMZSA-N 1 3 260.425 3.156 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CCN1 ZINC000414949548 380502540 /nfs/dbraw/zinc/50/25/40/380502540.db2.gz NPHREYGJUNCHBR-STQMWFEESA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]CC1(N)CCCCCC1 ZINC000414858067 380459108 /nfs/dbraw/zinc/45/91/08/380459108.db2.gz HRJHXUOKKSKLFL-AWEZNQCLSA-N 1 3 278.415 3.398 20 0 CGADHO C[C@@H](Cc1ccccc1F)NCC1([NH3+])CCCCCC1 ZINC000414858067 380459118 /nfs/dbraw/zinc/45/91/18/380459118.db2.gz HRJHXUOKKSKLFL-AWEZNQCLSA-N 1 3 278.415 3.398 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C)[C@H]1CCCNC1 ZINC000414858309 380459412 /nfs/dbraw/zinc/45/94/12/380459412.db2.gz RGUQCIUWEUYSJL-PSOLEGPJSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000414874815 380470435 /nfs/dbraw/zinc/47/04/35/380470435.db2.gz ZJWWMSPBJYCGCV-HPBDAGMYSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+]CC2(N)CCC2)s1 ZINC000414880851 380472246 /nfs/dbraw/zinc/47/22/46/380472246.db2.gz KHPQGLSRUZZZFE-UHFFFAOYSA-N 1 3 252.427 3.017 20 0 CGADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCC1 ZINC000414879137 380472601 /nfs/dbraw/zinc/47/26/01/380472601.db2.gz PEJKNCXPGBMQGZ-NSHDSACASA-N 1 3 286.341 3.107 20 0 CGADHO Cc1ccccc1-c1cccc(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000414893379 380475798 /nfs/dbraw/zinc/47/57/98/380475798.db2.gz KFUOBUHSIJUMRJ-LJQANCHMSA-N 1 3 280.415 3.489 20 0 CGADHO N[C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC000414892356 380475931 /nfs/dbraw/zinc/47/59/31/380475931.db2.gz JATNXBDXWYLMTB-HNNXBMFYSA-N 1 3 290.407 3.381 20 0 CGADHO Cc1ccccc1-c1cccc(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000414893378 380476241 /nfs/dbraw/zinc/47/62/41/380476241.db2.gz KFUOBUHSIJUMRJ-IBGZPJMESA-N 1 3 280.415 3.489 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(-c2cccc(F)c2)s1 ZINC000414892685 380476262 /nfs/dbraw/zinc/47/62/62/380476262.db2.gz XKDOKCQFWNVRBP-LLVKDONJSA-N 1 3 278.396 3.381 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1 ZINC000414900670 380479593 /nfs/dbraw/zinc/47/95/93/380479593.db2.gz FCOPHSSNAYTOGL-AEFFLSMTSA-N 1 3 274.452 3.295 20 0 CGADHO CSc1ccccc1C[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000414899952 380479862 /nfs/dbraw/zinc/47/98/62/380479862.db2.gz CQSIVLVGTFACBI-UKRRQHHQSA-N 1 3 278.465 3.071 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906749 380484040 /nfs/dbraw/zinc/48/40/40/380484040.db2.gz MNPXMVVOPUHEBV-OAGGEKHMSA-N 1 3 252.446 3.325 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3ccccc3c2)C1 ZINC000414907583 380484146 /nfs/dbraw/zinc/48/41/46/380484146.db2.gz AOYFIZJZWSMUHH-DLBZAZTESA-N 1 3 254.377 3.199 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417353112 380604066 /nfs/dbraw/zinc/60/40/66/380604066.db2.gz WOELTDLUHLUPKZ-RFQIPJPRSA-N 1 3 266.454 3.027 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CC12CC2 ZINC000417374936 380613126 /nfs/dbraw/zinc/61/31/26/380613126.db2.gz ZSQWCEUOACWGRO-AWEZNQCLSA-N 1 3 262.441 3.173 20 0 CGADHO c1cnc2c(c1)CCC[C@H]2NCCCCC[NH+]1CCCC1 ZINC000645493967 380690882 /nfs/dbraw/zinc/69/08/82/380690882.db2.gz WFMGLDGWEVAKKZ-QGZVFWFLSA-N 1 3 287.451 3.315 20 0 CGADHO CCSCCNCc1cccc(C[NH+](CC)CC)c1 ZINC000355742927 380765558 /nfs/dbraw/zinc/76/55/58/380765558.db2.gz XIEKWKYYJPQDAA-UHFFFAOYSA-N 1 3 280.481 3.371 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1F ZINC000356835176 380891357 /nfs/dbraw/zinc/89/13/57/380891357.db2.gz CHIXCNADVMXZQS-UKRRQHHQSA-N 1 3 294.414 3.359 20 0 CGADHO C[NH+](C)C1CCC(NCc2cc(Cl)ccc2F)CC1 ZINC000421381426 380922594 /nfs/dbraw/zinc/92/25/94/380922594.db2.gz ZUMKTBRHSYDFQV-UHFFFAOYSA-N 1 3 284.806 3.442 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc2ncsc2c1 ZINC000362572327 382062654 /nfs/dbraw/zinc/06/26/54/382062654.db2.gz GZXPAKOCDSVBTM-OCCSQVGLSA-N 1 3 289.448 3.431 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000369222818 382386795 /nfs/dbraw/zinc/38/67/95/382386795.db2.gz BVYPGKFKZDZPBI-IAGOWNOFSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H]1CN(Cc2csc3ccccc23)CC[C@H]1[NH3+] ZINC000251609547 542346819 /nfs/dbraw/zinc/34/68/19/542346819.db2.gz DNFFFDHTWQVQQH-SWLSCSKDSA-N 1 3 274.433 3.461 20 0 CGADHO CC[C@H]1CN(CCCOc2cc(C)cc(C)c2)CC[C@H]1[NH3+] ZINC000251526911 542346838 /nfs/dbraw/zinc/34/68/38/542346838.db2.gz AENITTUPISQXLI-FUHWJXTLSA-N 1 3 290.451 3.132 20 0 CGADHO COc1ccccc1[C@H](NC[C@H](C)C[NH3+])C1CCCC1 ZINC000423302823 533020489 /nfs/dbraw/zinc/02/04/89/533020489.db2.gz VZOGZBADRVRWHE-CXAGYDPISA-N 1 3 276.424 3.111 20 0 CGADHO COc1ccc([C@@H](NC[C@@]2(C)CCC[NH2+]C2)C(C)C)cc1 ZINC000423336193 533131165 /nfs/dbraw/zinc/13/11/65/533131165.db2.gz JPBDEJACWQAFMZ-ROUUACIJSA-N 1 3 290.451 3.372 20 0 CGADHO COc1ccc([C@@H]([NH2+]C[C@@]2(C)CCCNC2)C(C)C)cc1 ZINC000423336193 533131169 /nfs/dbraw/zinc/13/11/69/533131169.db2.gz JPBDEJACWQAFMZ-ROUUACIJSA-N 1 3 290.451 3.372 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066543 542485615 /nfs/dbraw/zinc/48/56/15/542485615.db2.gz FUTTZHYREVBKNA-CABCVRRESA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066543 542485619 /nfs/dbraw/zinc/48/56/19/542485619.db2.gz FUTTZHYREVBKNA-CABCVRRESA-N 1 3 278.827 3.099 20 0 CGADHO COc1ccc2cc([C@H](C)NCC[C@H](C)[NH3+])ccc2c1 ZINC000423232440 533337233 /nfs/dbraw/zinc/33/72/33/533337233.db2.gz MNLZVRNSWIWVIM-STQMWFEESA-N 1 3 272.392 3.236 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423348617 533365857 /nfs/dbraw/zinc/36/58/57/533365857.db2.gz UNBPVFKJKFNCDI-LLVKDONJSA-N 1 3 295.224 3.019 20 0 CGADHO C(COCC1CCCC1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000313287438 533366139 /nfs/dbraw/zinc/36/61/39/533366139.db2.gz XCXRKMLINCNXKO-KZNAEPCWSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H]([NH2+][C@@H](c1ccc(Br)cc1)C1CC1)[C@H](C)N ZINC000423450344 533513280 /nfs/dbraw/zinc/51/32/80/533513280.db2.gz SQYSAUQJPBIKFJ-IMSIIYSGSA-N 1 3 297.240 3.226 20 0 CGADHO C[C@@H](CCO)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449176648 533627812 /nfs/dbraw/zinc/62/78/12/533627812.db2.gz QWAPSKQQOQHBMO-HNNXBMFYSA-N 1 3 298.515 3.274 20 0 CGADHO C[C@@H](CCO)C[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449176648 533627818 /nfs/dbraw/zinc/62/78/18/533627818.db2.gz QWAPSKQQOQHBMO-HNNXBMFYSA-N 1 3 298.515 3.274 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423220931 533653041 /nfs/dbraw/zinc/65/30/41/533653041.db2.gz YXTDEXRPRYZBGX-ICIURTGMSA-N 1 3 294.389 3.159 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)NCC[C@H]1CCC[NH2+]1 ZINC000423359439 533653292 /nfs/dbraw/zinc/65/32/92/533653292.db2.gz PFWGJORCXRSMHK-QWHCGFSZSA-N 1 3 282.378 3.018 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000414928980 542640140 /nfs/dbraw/zinc/64/01/40/542640140.db2.gz QWIASLNXVIDHNU-JYVUQVBGSA-N 1 3 252.446 3.451 20 0 CGADHO CCC[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000414930124 542641119 /nfs/dbraw/zinc/64/11/19/542641119.db2.gz SLRYUHQFGJIGDX-ZACQAIPSSA-N 1 3 260.425 3.430 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649322 391982963 /nfs/dbraw/zinc/98/29/63/391982963.db2.gz JKIIKXASMVTAQT-LSDHHAIUSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649322 391982964 /nfs/dbraw/zinc/98/29/64/391982964.db2.gz JKIIKXASMVTAQT-LSDHHAIUSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047968606 391992892 /nfs/dbraw/zinc/99/28/92/391992892.db2.gz DOHZGKQMBJFEPC-UHFFFAOYSA-N 1 3 272.436 3.303 20 0 CGADHO Cc1cc(C)c(CNC[C@@H](C)C[NH+]2CCCC2)cc1C ZINC000057994194 392111607 /nfs/dbraw/zinc/11/16/07/392111607.db2.gz KXJBPRPODBQEKY-CQSZACIVSA-N 1 3 274.452 3.433 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]CC2(C)CCC2)C1 ZINC000434764433 542655789 /nfs/dbraw/zinc/65/57/89/542655789.db2.gz OHBJZMIUJLVGLF-GASCZTMLSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]CC2(C)CCC2)C1 ZINC000434764434 542656008 /nfs/dbraw/zinc/65/60/08/542656008.db2.gz OHBJZMIUJLVGLF-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015768 131119287 /nfs/dbraw/zinc/11/92/87/131119287.db2.gz POLOAIHAZJRPTP-WMLDXEAASA-N 1 3 278.415 3.030 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2F)[C@@H](C)C1 ZINC000249015768 131119291 /nfs/dbraw/zinc/11/92/91/131119291.db2.gz POLOAIHAZJRPTP-WMLDXEAASA-N 1 3 278.415 3.030 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000423356940 285487888 /nfs/dbraw/zinc/48/78/88/285487888.db2.gz HQEGSXWMZOCRJH-FGTMMUONSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H](NCCC[NH+](C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000151932853 392489974 /nfs/dbraw/zinc/48/99/74/392489974.db2.gz KREYJMYOXMVTOY-CHWSQXEVSA-N 1 3 291.464 3.330 20 0 CGADHO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301712303 392597091 /nfs/dbraw/zinc/59/70/91/392597091.db2.gz LEFULFYKDNENOB-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301712303 392597094 /nfs/dbraw/zinc/59/70/94/392597094.db2.gz LEFULFYKDNENOB-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO CC1(C)C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000177944653 392668926 /nfs/dbraw/zinc/66/89/26/392668926.db2.gz SVLPJDIABDGMNU-RDTXWAMCSA-N 1 3 284.447 3.483 20 0 CGADHO CC1(C)C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944653 392668930 /nfs/dbraw/zinc/66/89/30/392668930.db2.gz SVLPJDIABDGMNU-RDTXWAMCSA-N 1 3 284.447 3.483 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000305109324 392630623 /nfs/dbraw/zinc/63/06/23/392630623.db2.gz FFBNZMXGUJXXAL-RDJZCZTQSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000305109324 392630627 /nfs/dbraw/zinc/63/06/27/392630627.db2.gz FFBNZMXGUJXXAL-RDJZCZTQSA-N 1 3 296.499 3.170 20 0 CGADHO CCc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375508148 392787900 /nfs/dbraw/zinc/78/79/00/392787900.db2.gz IPSNOQGPXKTRMV-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO CCc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000375508148 392787904 /nfs/dbraw/zinc/78/79/04/392787904.db2.gz IPSNOQGPXKTRMV-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO c1cc2c(ccnc2N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000647847754 392813657 /nfs/dbraw/zinc/81/36/57/392813657.db2.gz OMWLTCUXBOGMHX-OAHLLOKOSA-N 1 3 292.386 3.249 20 0 CGADHO c1cc2c(ccnc2N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000647847754 392813660 /nfs/dbraw/zinc/81/36/60/392813660.db2.gz OMWLTCUXBOGMHX-OAHLLOKOSA-N 1 3 292.386 3.249 20 0 CGADHO C[N@H+](CCCN)CCCc1cccc2ccccc21 ZINC000647848070 392813737 /nfs/dbraw/zinc/81/37/37/392813737.db2.gz BRCDPJZZCHNCLR-UHFFFAOYSA-N 1 3 256.393 3.053 20 0 CGADHO C[N@@H+](CCCN)CCCc1cccc2ccccc21 ZINC000647848070 392813740 /nfs/dbraw/zinc/81/37/40/392813740.db2.gz BRCDPJZZCHNCLR-UHFFFAOYSA-N 1 3 256.393 3.053 20 0 CGADHO COc1ccc([C@@H]2CCCCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647873533 392819153 /nfs/dbraw/zinc/81/91/53/392819153.db2.gz WPALZODPWWAILF-YJBOKZPZSA-N 1 3 288.435 3.222 20 0 CGADHO c1ccc([C@@H]2CCCCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881001 392823214 /nfs/dbraw/zinc/82/32/14/392823214.db2.gz PZKWMVBTUWUGRK-RDJZCZTQSA-N 1 3 258.409 3.213 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904155 392829075 /nfs/dbraw/zinc/82/90/75/392829075.db2.gz XWCLZEKQIWGDLH-MOPGFXCFSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1ccc(CCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647904134 392829180 /nfs/dbraw/zinc/82/91/80/392829180.db2.gz XKYJDTZFFDLKBA-QZTJIDSGSA-N 1 3 272.436 3.002 20 0 CGADHO CCN(CCOc1cc(C)cc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000647912903 392832971 /nfs/dbraw/zinc/83/29/71/392832971.db2.gz AOEZBTLMPUOJQK-KRWDZBQOSA-N 1 3 290.451 3.146 20 0 CGADHO FC1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000648073089 392904523 /nfs/dbraw/zinc/90/45/23/392904523.db2.gz BAQYKQJEXDTSSB-UHFFFAOYSA-N 1 3 291.414 3.168 20 0 CGADHO CC[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CC[C@H]1N ZINC000381011761 392905731 /nfs/dbraw/zinc/90/57/31/392905731.db2.gz MBQIWYOSDHFNNQ-LSDHHAIUSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CC[C@H]1N ZINC000381011761 392905734 /nfs/dbraw/zinc/90/57/34/392905734.db2.gz MBQIWYOSDHFNNQ-LSDHHAIUSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@H]1CN(CC2CCC(C)(C)CC2)CC[C@H]1[NH3+] ZINC000381011761 392905738 /nfs/dbraw/zinc/90/57/38/392905738.db2.gz MBQIWYOSDHFNNQ-LSDHHAIUSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000512325262 392850572 /nfs/dbraw/zinc/85/05/72/392850572.db2.gz VFXXQUBBALMKFW-UNEWFSDZSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000647990862 392858829 /nfs/dbraw/zinc/85/88/29/392858829.db2.gz ORJVOOOLTGNJQH-NVXWUHKLSA-N 1 3 287.451 3.027 20 0 CGADHO C(CC1CC[NH2+]CC1)CN1CCO[C@@H](C2CCCCC2)C1 ZINC000647990734 392859141 /nfs/dbraw/zinc/85/91/41/392859141.db2.gz ABCCSJIKNDOZPR-GOSISDBHSA-N 1 3 294.483 3.047 20 0 CGADHO c1ccc([C@@H](CC2CC2)[NH2+]CCCNC2CC2)cc1 ZINC000520394121 392922483 /nfs/dbraw/zinc/92/24/83/392922483.db2.gz KCAPHDLRLUQTSZ-QGZVFWFLSA-N 1 3 258.409 3.260 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514094420 542733860 /nfs/dbraw/zinc/73/38/60/542733860.db2.gz NCBZFHAOTOIRPA-UONOGXRCSA-N 1 3 252.446 3.320 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000525864012 392949973 /nfs/dbraw/zinc/94/99/73/392949973.db2.gz BALOZWDBWSFCKA-LSDHHAIUSA-N 1 3 278.415 3.251 20 0 CGADHO Cc1ccc(-c2nc(CN[C@H](C)CCCC[NH3+])co2)cc1 ZINC000415007668 393091796 /nfs/dbraw/zinc/09/17/96/393091796.db2.gz BPRBIMAVRWIAPB-CQSZACIVSA-N 1 3 287.407 3.257 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1nc2ccc(F)cc2s1 ZINC000415009682 393093040 /nfs/dbraw/zinc/09/30/40/393093040.db2.gz FNANTIJMQXWZCA-JTQLQIEISA-N 1 3 281.400 3.043 20 0 CGADHO CC(C)(C)c1nc(CNC(C)(C)CCC[NH3+])cs1 ZINC000415011764 393095238 /nfs/dbraw/zinc/09/52/38/393095238.db2.gz IAUBLIGBSQAISG-UHFFFAOYSA-N 1 3 269.458 3.048 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000415011552 393095522 /nfs/dbraw/zinc/09/55/22/393095522.db2.gz QRYBHKIATBRODP-VXGBXAGGSA-N 1 3 260.406 3.240 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1nc(-c2ccccc2)cs1 ZINC000415015553 393096819 /nfs/dbraw/zinc/09/68/19/393096819.db2.gz OGCFIBNRWOZBOL-CYBMUJFWSA-N 1 3 289.448 3.417 20 0 CGADHO C[C@H](C[N@H+](C)CCCN1CCCC1)c1ccc(F)cc1 ZINC000467520121 393103794 /nfs/dbraw/zinc/10/37/94/393103794.db2.gz HJSJGEYKEMYQLC-OAHLLOKOSA-N 1 3 278.415 3.347 20 0 CGADHO C[C@H](C[N@@H+](C)CCCN1CCCC1)c1ccc(F)cc1 ZINC000467520121 393103798 /nfs/dbraw/zinc/10/37/98/393103798.db2.gz HJSJGEYKEMYQLC-OAHLLOKOSA-N 1 3 278.415 3.347 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(CO)CC2)CC1 ZINC000648467308 393039548 /nfs/dbraw/zinc/03/95/48/393039548.db2.gz NKVSUQNDHLJZKS-UHFFFAOYSA-N 1 3 296.499 3.028 20 0 CGADHO CCC1(C)CCC([NH2+]CC2=CCN(C)CC2)CC1 ZINC000344301464 393041340 /nfs/dbraw/zinc/04/13/40/393041340.db2.gz JHSDNSSIMDBRMX-UHFFFAOYSA-N 1 3 250.430 3.197 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3cccs3)n2)C1 ZINC000415038833 393107520 /nfs/dbraw/zinc/10/75/20/393107520.db2.gz NPECPRBXXXOAEN-GHMZBOCLSA-N 1 3 293.461 3.089 20 0 CGADHO Cc1ccoc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000266243623 393179071 /nfs/dbraw/zinc/17/90/71/393179071.db2.gz XWVCSYAVMGPFLY-OAHLLOKOSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1ccoc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000266243623 393179074 /nfs/dbraw/zinc/17/90/74/393179074.db2.gz XWVCSYAVMGPFLY-OAHLLOKOSA-N 1 3 264.413 3.332 20 0 CGADHO [NH3+]CCC[C@H](NCc1cccc(F)c1)c1ccccc1 ZINC000415044124 393110841 /nfs/dbraw/zinc/11/08/41/393110841.db2.gz AHSVUJGBQUUPKY-KRWDZBQOSA-N 1 3 272.367 3.396 20 0 CGADHO COc1ccsc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415049438 393113274 /nfs/dbraw/zinc/11/32/74/393113274.db2.gz HGCLLDLQACTDKO-CQSZACIVSA-N 1 3 290.432 3.327 20 0 CGADHO CCc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415055843 393116641 /nfs/dbraw/zinc/11/66/41/393116641.db2.gz RKUKDZMSCARXRP-QZTJIDSGSA-N 1 3 272.436 3.213 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)Cc1ccccc1 ZINC000415054265 393117208 /nfs/dbraw/zinc/11/72/08/393117208.db2.gz PQEFFSABCQCKHH-LSTHTHJFSA-N 1 3 294.442 3.210 20 0 CGADHO COc1ccc(C[NH2+]CCCNC2CC2)c2ccccc12 ZINC000415064466 393124219 /nfs/dbraw/zinc/12/42/19/393124219.db2.gz CPMLWJPAMXFYOR-UHFFFAOYSA-N 1 3 284.403 3.080 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC(C)(C)Cc1ccccc1 ZINC000415080253 393134001 /nfs/dbraw/zinc/13/40/01/393134001.db2.gz JCRQAIMAFDKMGR-DOTOQJQBSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000468358746 393137003 /nfs/dbraw/zinc/13/70/03/393137003.db2.gz VPPRTISTRACTJJ-VGWMRTNUSA-N 1 3 250.430 3.028 20 0 CGADHO Cc1ccccc1C(C)(C)CNC[C@@H]([NH3+])CC(C)C ZINC000415090069 393140985 /nfs/dbraw/zinc/14/09/85/393140985.db2.gz OPCVIBTXRXUVKA-HNNXBMFYSA-N 1 3 262.441 3.236 20 0 CGADHO C[C@H]1CC[N@H+](CCCCCOc2ccccc2)C[C@H]1CN ZINC000415128893 393152582 /nfs/dbraw/zinc/15/25/82/393152582.db2.gz OPTDYKBMQPFFRF-DLBZAZTESA-N 1 3 290.451 3.152 20 0 CGADHO C[C@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@H]1CN ZINC000415128893 393152588 /nfs/dbraw/zinc/15/25/88/393152588.db2.gz OPTDYKBMQPFFRF-DLBZAZTESA-N 1 3 290.451 3.152 20 0 CGADHO C[C@H]1CCN(CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000415128893 393152592 /nfs/dbraw/zinc/15/25/92/393152592.db2.gz OPTDYKBMQPFFRF-DLBZAZTESA-N 1 3 290.451 3.152 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCC(F)(F)CC1 ZINC000353285188 393219299 /nfs/dbraw/zinc/21/92/99/393219299.db2.gz ATLAEDUYVVXWIB-QEJZJMRPSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@H](C[NH2+]CC1=CCN(C)CC1)c1cccc(Cl)c1 ZINC000470353642 393244311 /nfs/dbraw/zinc/24/43/11/393244311.db2.gz MWXRRCIVGUBTES-CYBMUJFWSA-N 1 3 278.827 3.295 20 0 CGADHO Cc1cc(NC[C@H](c2ccco2)N2CCCC2)cc[nH+]1 ZINC000274335516 393284874 /nfs/dbraw/zinc/28/48/74/393284874.db2.gz GUSABRJIAXNBPM-OAHLLOKOSA-N 1 3 271.364 3.232 20 0 CGADHO CCC(O)(CC)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000471791624 393305714 /nfs/dbraw/zinc/30/57/14/393305714.db2.gz XLBZJYWILQVDSP-UHFFFAOYSA-N 1 3 296.499 3.314 20 0 CGADHO CCC(O)(CC)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000471791624 393305720 /nfs/dbraw/zinc/30/57/20/393305720.db2.gz XLBZJYWILQVDSP-UHFFFAOYSA-N 1 3 296.499 3.314 20 0 CGADHO c1csc(C2(NCCCC3CC[NH2+]CC3)CCCC2)n1 ZINC000649414474 393415774 /nfs/dbraw/zinc/41/57/74/393415774.db2.gz AMPDDHSLXDQWHV-UHFFFAOYSA-N 1 3 293.480 3.282 20 0 CGADHO Cc1c2ccccc2oc1[C@H](NCCOCC[NH3+])C(C)C ZINC000420399793 393481865 /nfs/dbraw/zinc/48/18/65/393481865.db2.gz IDIZEXUTCSGYIA-MRXNPFEDSA-N 1 3 290.407 3.003 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN(C)C)CCC2 ZINC000425943393 393445960 /nfs/dbraw/zinc/44/59/60/393445960.db2.gz IQXLYZWNSAEVGH-WMLDXEAASA-N 1 3 260.425 3.160 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH+](C)C)CCC2 ZINC000425943393 393445965 /nfs/dbraw/zinc/44/59/65/393445965.db2.gz IQXLYZWNSAEVGH-WMLDXEAASA-N 1 3 260.425 3.160 20 0 CGADHO CCCCN(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420293643 393451461 /nfs/dbraw/zinc/45/14/61/393451461.db2.gz AAFUIVFSRYSRPV-HNNXBMFYSA-N 1 3 278.415 3.427 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000487532933 393452314 /nfs/dbraw/zinc/45/23/14/393452314.db2.gz FWASDUJAWYITBT-OAGGEKHMSA-N 1 3 266.473 3.379 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN2CCC(C(C)C)CC2)cc1 ZINC000420297828 393454031 /nfs/dbraw/zinc/45/40/31/393454031.db2.gz GGZHFGYTKJYUIS-KRWDZBQOSA-N 1 3 290.451 3.106 20 0 CGADHO c1csc([C@H]2CCCCN2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420310825 393459712 /nfs/dbraw/zinc/45/97/12/393459712.db2.gz GGIYZPORHYTZBW-UONOGXRCSA-N 1 3 279.453 3.060 20 0 CGADHO c1ccc(CCCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420392020 393482962 /nfs/dbraw/zinc/48/29/62/393482962.db2.gz IUEWEAQOUOVYTR-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO Cc1cc(C)cc(OCCC[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000420361792 393475583 /nfs/dbraw/zinc/47/55/83/393475583.db2.gz MSWFWLCDASELMC-QGZVFWFLSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cc(C)cc(OCCCN[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420361792 393475587 /nfs/dbraw/zinc/47/55/87/393475587.db2.gz MSWFWLCDASELMC-QGZVFWFLSA-N 1 3 290.451 3.050 20 0 CGADHO C[C@H](N)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375475 393478102 /nfs/dbraw/zinc/47/81/02/393478102.db2.gz PMLGXNWXXYXJDJ-HZMBPMFUSA-N 1 3 297.240 3.227 20 0 CGADHO Clc1ccc([C@H](NC[C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000420404556 393484145 /nfs/dbraw/zinc/48/41/45/393484145.db2.gz MDKMZWHASVPVNO-MLGOLLRUSA-N 1 3 278.827 3.380 20 0 CGADHO CC[C@H](NCC[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420421909 393486223 /nfs/dbraw/zinc/48/62/23/393486223.db2.gz YYTYRJDDBZHBPE-WBMJQRKESA-N 1 3 282.378 3.395 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)CS1 ZINC000488531552 393533640 /nfs/dbraw/zinc/53/36/40/393533640.db2.gz FFZWLTVFSDETSE-CABCVRRESA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CS1 ZINC000488531552 393533645 /nfs/dbraw/zinc/53/36/45/393533645.db2.gz FFZWLTVFSDETSE-CABCVRRESA-N 1 3 284.513 3.228 20 0 CGADHO COc1ccc(CN[C@@H]2CCC[NH2+]CC2)c2ccccc12 ZINC000666855231 542820701 /nfs/dbraw/zinc/82/07/01/542820701.db2.gz GPTZSMDWTUNWAW-OAHLLOKOSA-N 1 3 284.403 3.080 20 0 CGADHO CSc1ccccc1C[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000666857640 542821465 /nfs/dbraw/zinc/82/14/65/542821465.db2.gz CLOUHBYWQKNXSZ-HIFRSBDPSA-N 1 3 278.465 3.071 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000666857640 542821467 /nfs/dbraw/zinc/82/14/67/542821467.db2.gz CLOUHBYWQKNXSZ-HIFRSBDPSA-N 1 3 278.465 3.071 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCCNCC1 ZINC000666857835 542821538 /nfs/dbraw/zinc/82/15/38/542821538.db2.gz LLOMVXDDCUXUOW-NWDGAFQWSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)N[C@@H]1CCC[NH2+]CC1 ZINC000666857835 542821541 /nfs/dbraw/zinc/82/15/41/542821541.db2.gz LLOMVXDDCUXUOW-NWDGAFQWSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432787527 393639376 /nfs/dbraw/zinc/63/93/76/393639376.db2.gz HDIMDYTXPUOUPA-FUHWJXTLSA-N 1 3 274.452 3.281 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432787527 393639378 /nfs/dbraw/zinc/63/93/78/393639378.db2.gz HDIMDYTXPUOUPA-FUHWJXTLSA-N 1 3 274.452 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432787525 393639420 /nfs/dbraw/zinc/63/94/20/393639420.db2.gz HDIMDYTXPUOUPA-AEFFLSMTSA-N 1 3 274.452 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432787525 393639422 /nfs/dbraw/zinc/63/94/22/393639422.db2.gz HDIMDYTXPUOUPA-AEFFLSMTSA-N 1 3 274.452 3.281 20 0 CGADHO CC[C@@H](NCC1(C)CCC(OC)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423091106 393650193 /nfs/dbraw/zinc/65/01/93/393650193.db2.gz ZJPGJXUXVRPMBY-GMRIPVOYSA-N 1 3 282.472 3.092 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCCNC1)C1CCCCC1 ZINC000423202048 393655176 /nfs/dbraw/zinc/65/51/76/393655176.db2.gz AIAZBWGIXGOAIS-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423273866 393657395 /nfs/dbraw/zinc/65/73/95/393657395.db2.gz KZXVCVUGGYMGKX-XZJROXQQSA-N 1 3 264.388 3.022 20 0 CGADHO CCCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000491026342 393663101 /nfs/dbraw/zinc/66/31/01/393663101.db2.gz GDENFSNQMLGRAC-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000491026342 393663107 /nfs/dbraw/zinc/66/31/07/393663107.db2.gz GDENFSNQMLGRAC-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000491026342 393663110 /nfs/dbraw/zinc/66/31/10/393663110.db2.gz GDENFSNQMLGRAC-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423480547 393669876 /nfs/dbraw/zinc/66/98/76/393669876.db2.gz WFAOQTYILNLHSI-HOTGVXAUSA-N 1 3 264.388 3.384 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484165 393670367 /nfs/dbraw/zinc/67/03/67/393670367.db2.gz YIYZDJRPIJLUDX-MLGOLLRUSA-N 1 3 271.408 3.181 20 0 CGADHO Cc1cccc(CCCN(C)CCC[NH+]2CCCC2)c1 ZINC000499936189 393811612 /nfs/dbraw/zinc/81/16/12/393811612.db2.gz NLTSVDYJINPKHL-UHFFFAOYSA-N 1 3 274.452 3.345 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995142 542832364 /nfs/dbraw/zinc/83/23/64/542832364.db2.gz DTBBPZLVQPJJDO-RBSFLKMASA-N 1 3 264.457 3.466 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995036 542832433 /nfs/dbraw/zinc/83/24/33/542832433.db2.gz AZFJUHMNAHNTBK-IAGOWNOFSA-N 1 3 272.436 3.272 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995192 542832479 /nfs/dbraw/zinc/83/24/79/542832479.db2.gz FSFWFLLDPNQOJB-HUUCEWRRSA-N 1 3 252.446 3.466 20 0 CGADHO COc1ccc([C@H](C)C[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666996768 542833413 /nfs/dbraw/zinc/83/34/13/542833413.db2.gz FGTWSTVXRWFLFO-GDBMZVCRSA-N 1 3 288.435 3.063 20 0 CGADHO COc1ccc([C@H](C)CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666996768 542833416 /nfs/dbraw/zinc/83/34/16/542833416.db2.gz FGTWSTVXRWFLFO-GDBMZVCRSA-N 1 3 288.435 3.063 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995769 542834008 /nfs/dbraw/zinc/83/40/08/542834008.db2.gz ZSSHMVWZCPPCPA-YOEHRIQHSA-N 1 3 290.426 3.411 20 0 CGADHO COc1ccc([C@H](C)C[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666996771 542834030 /nfs/dbraw/zinc/83/40/30/542834030.db2.gz FGTWSTVXRWFLFO-ZBFHGGJFSA-N 1 3 288.435 3.063 20 0 CGADHO COc1ccc([C@H](C)CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666996771 542834032 /nfs/dbraw/zinc/83/40/32/542834032.db2.gz FGTWSTVXRWFLFO-ZBFHGGJFSA-N 1 3 288.435 3.063 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1(C2CCC2)CCC1 ZINC000453395458 394231416 /nfs/dbraw/zinc/23/14/16/394231416.db2.gz JUEHZLLZNJLTJJ-HZPDHXFCSA-N 1 3 262.441 3.173 20 0 CGADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453398260 394232189 /nfs/dbraw/zinc/23/21/89/394232189.db2.gz KKVRRCUOYDCNBP-LBPRGKRZSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000453398260 394232194 /nfs/dbraw/zinc/23/21/94/394232194.db2.gz KKVRRCUOYDCNBP-LBPRGKRZSA-N 1 3 282.378 3.490 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2O)CC1 ZINC000453405028 394235880 /nfs/dbraw/zinc/23/58/80/394235880.db2.gz IMPBGFWEVDHFAF-HZPDHXFCSA-N 1 3 296.499 3.169 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453405028 394235883 /nfs/dbraw/zinc/23/58/83/394235883.db2.gz IMPBGFWEVDHFAF-HZPDHXFCSA-N 1 3 296.499 3.169 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668165647 542978154 /nfs/dbraw/zinc/97/81/54/542978154.db2.gz AAOFMYHSRBPWBM-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668165647 542978158 /nfs/dbraw/zinc/97/81/58/542978158.db2.gz AAOFMYHSRBPWBM-UHFFFAOYSA-N 1 3 273.424 3.250 20 0 CGADHO Cc1ccc(C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C2CC2)cc1 ZINC000423363106 292110509 /nfs/dbraw/zinc/11/05/09/292110509.db2.gz AKVLDPJTQRACMC-OLMNPRSZSA-N 1 3 272.436 3.046 20 0 CGADHO CC[N@H+](CCN)C1c2ccccc2-c2ccccc21 ZINC000388616273 397690982 /nfs/dbraw/zinc/69/09/82/397690982.db2.gz DRCKTUDEZOCADL-UHFFFAOYSA-N 1 3 252.361 3.037 20 0 CGADHO CC[N@@H+](CCN)C1c2ccccc2-c2ccccc21 ZINC000388616273 397690984 /nfs/dbraw/zinc/69/09/84/397690984.db2.gz DRCKTUDEZOCADL-UHFFFAOYSA-N 1 3 252.361 3.037 20 0 CGADHO c1cc2c(c(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702893 397897745 /nfs/dbraw/zinc/89/77/45/397897745.db2.gz ZRWDVTPBUQGNDG-PKOBYXMFSA-N 1 3 284.447 3.139 20 0 CGADHO C[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000650711567 397898781 /nfs/dbraw/zinc/89/87/81/397898781.db2.gz XOGOAGUFZHVFRI-CFSAACEMSA-N 1 3 276.399 3.288 20 0 CGADHO C[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)[C@H]1CC[NH3+] ZINC000650711417 397899262 /nfs/dbraw/zinc/89/92/62/397899262.db2.gz SYZMGEZVLMPKMS-YOEHRIQHSA-N 1 3 298.434 3.026 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(F)cc1C ZINC000650718448 397901360 /nfs/dbraw/zinc/90/13/60/397901360.db2.gz MZZXWEUAVPDCMG-UHFFFAOYSA-N 1 3 272.367 3.143 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccsc1 ZINC000650758517 397910633 /nfs/dbraw/zinc/91/06/33/397910633.db2.gz RDWHBOIMEAYKPR-GFCCVEGCSA-N 1 3 260.406 3.318 20 0 CGADHO COC1([C@H](C)[NH2+]CCCN2CCCC[C@H]2C)CCCC1 ZINC000421814084 292145648 /nfs/dbraw/zinc/14/56/48/292145648.db2.gz INNUBZUJBZRHQO-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000421814084 292145651 /nfs/dbraw/zinc/14/56/51/292145651.db2.gz INNUBZUJBZRHQO-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO COC1([C@H](C)NCCC[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000421814084 292145654 /nfs/dbraw/zinc/14/56/54/292145654.db2.gz INNUBZUJBZRHQO-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271099 543506411 /nfs/dbraw/zinc/50/64/11/543506411.db2.gz NIVDKZONNVRNNV-JKSUJKDBSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271099 543506413 /nfs/dbraw/zinc/50/64/13/543506413.db2.gz NIVDKZONNVRNNV-JKSUJKDBSA-N 1 3 290.451 3.247 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(C)n1 ZINC000678413347 543521889 /nfs/dbraw/zinc/52/18/89/543521889.db2.gz HJGFOXIBTQZFQH-HOCLYGCPSA-N 1 3 289.467 3.471 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000678596656 543540128 /nfs/dbraw/zinc/54/01/28/543540128.db2.gz IDKJEARGRCVROJ-SXXASDTRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000678596656 543540130 /nfs/dbraw/zinc/54/01/30/543540130.db2.gz IDKJEARGRCVROJ-SXXASDTRSA-N 1 3 284.447 3.395 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765848 543554319 /nfs/dbraw/zinc/55/43/19/543554319.db2.gz HEHKFFOFUZYPEE-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765848 543554321 /nfs/dbraw/zinc/55/43/21/543554321.db2.gz HEHKFFOFUZYPEE-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765848 543554322 /nfs/dbraw/zinc/55/43/22/543554322.db2.gz HEHKFFOFUZYPEE-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000678774684 543556966 /nfs/dbraw/zinc/55/69/66/543556966.db2.gz BXLOPERDOBPGOC-NLWGTHIKSA-N 1 3 298.474 3.497 20 0 CGADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000678774684 543556969 /nfs/dbraw/zinc/55/69/69/543556969.db2.gz BXLOPERDOBPGOC-NLWGTHIKSA-N 1 3 298.474 3.497 20 0 CGADHO Cc1ccc([C@@H](NCC2C[NH2+]C2)C2CCCCC2)cc1 ZINC000423304467 292204505 /nfs/dbraw/zinc/20/45/05/292204505.db2.gz NXUCXKHDBULROM-SFHVURJKSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@@H]([NH2+]CC2CNC2)C2CCCCC2)cc1 ZINC000423304467 292204506 /nfs/dbraw/zinc/20/45/06/292204506.db2.gz NXUCXKHDBULROM-SFHVURJKSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@@H]([NH2+]CCOCCN(C)C)C2CCC2)cc1 ZINC000447601268 292204665 /nfs/dbraw/zinc/20/46/65/292204665.db2.gz ONTMQAMXUMKZGW-SFHVURJKSA-N 1 3 290.451 3.004 20 0 CGADHO Cc1ccc([C@@H]2C[C@@H](C)N(C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137848 292226740 /nfs/dbraw/zinc/22/67/40/292226740.db2.gz YVRSZWJOVXFUAM-NXHRZFHOSA-N 1 3 272.436 3.172 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc2ccccc21 ZINC000089150539 165198638 /nfs/dbraw/zinc/19/86/38/165198638.db2.gz YZKMVQDGKIYLDU-WMLDXEAASA-N 1 3 254.377 3.057 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089150539 165198641 /nfs/dbraw/zinc/19/86/41/165198641.db2.gz YZKMVQDGKIYLDU-WMLDXEAASA-N 1 3 254.377 3.057 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089146061 165199854 /nfs/dbraw/zinc/19/98/54/165199854.db2.gz UYQMRGPNRYRFQN-CRAIPNDOSA-N 1 3 268.404 3.447 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc2ccccc21 ZINC000089146061 165199856 /nfs/dbraw/zinc/19/98/56/165199856.db2.gz UYQMRGPNRYRFQN-CRAIPNDOSA-N 1 3 268.404 3.447 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C(C)C ZINC000090586465 287102924 /nfs/dbraw/zinc/10/29/24/287102924.db2.gz NJYHJYWDPWHNNY-HZPDHXFCSA-N 1 3 254.462 3.379 20 0 CGADHO Cc1cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000092346008 165290166 /nfs/dbraw/zinc/29/01/66/165290166.db2.gz XLHCFWZRPDSLMP-CABCVRRESA-N 1 3 283.419 3.102 20 0 CGADHO C[C@@H](c1cccc(Br)c1)N(C)CC(C)(C)C[NH3+] ZINC000093872924 165339970 /nfs/dbraw/zinc/33/99/70/165339970.db2.gz HAHLODCOUZGXLL-NSHDSACASA-N 1 3 299.256 3.427 20 0 CGADHO C[C@@H](c1cccc(Br)c1)[N@H+](C)CC(C)(C)CN ZINC000093872924 165339975 /nfs/dbraw/zinc/33/99/75/165339975.db2.gz HAHLODCOUZGXLL-NSHDSACASA-N 1 3 299.256 3.427 20 0 CGADHO C[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(C)(C)CN ZINC000093872924 165339976 /nfs/dbraw/zinc/33/99/76/165339976.db2.gz HAHLODCOUZGXLL-NSHDSACASA-N 1 3 299.256 3.427 20 0 CGADHO C[C@H](c1ccc(Br)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093873091 165340734 /nfs/dbraw/zinc/34/07/34/165340734.db2.gz YPSXBODJHROGLY-LLVKDONJSA-N 1 3 299.256 3.427 20 0 CGADHO C[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)(C)CN ZINC000093873091 165340737 /nfs/dbraw/zinc/34/07/37/165340737.db2.gz YPSXBODJHROGLY-LLVKDONJSA-N 1 3 299.256 3.427 20 0 CGADHO C[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)CN ZINC000093873091 165340739 /nfs/dbraw/zinc/34/07/39/165340739.db2.gz YPSXBODJHROGLY-LLVKDONJSA-N 1 3 299.256 3.427 20 0 CGADHO CC(C)[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CC1 ZINC000122396200 287209249 /nfs/dbraw/zinc/20/92/49/287209249.db2.gz QRYYYQAUJOPRHQ-GOSISDBHSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000124253504 287231316 /nfs/dbraw/zinc/23/13/16/287231316.db2.gz ZGFVJRRCWOKFJZ-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO CN(C)Cc1ccc(-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000006637784 170220957 /nfs/dbraw/zinc/22/09/57/170220957.db2.gz SHOGGUIWMZFVFY-UHFFFAOYSA-N 1 3 268.404 3.477 20 0 CGADHO Cc1ccsc1C[NH2+]CCCN1CCC(C)CC1 ZINC000020146248 171032777 /nfs/dbraw/zinc/03/27/77/171032777.db2.gz UMLQRLHAPZRMCJ-UHFFFAOYSA-N 1 3 266.454 3.268 20 0 CGADHO CN(CCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285486444 196299958 /nfs/dbraw/zinc/29/99/58/196299958.db2.gz LSIMEYJJINSSOV-SJPCQFCGSA-N 1 3 288.435 3.013 20 0 CGADHO CN(CCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285486444 196299960 /nfs/dbraw/zinc/29/99/60/196299960.db2.gz LSIMEYJJINSSOV-SJPCQFCGSA-N 1 3 288.435 3.013 20 0 CGADHO FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408194 173183466 /nfs/dbraw/zinc/18/34/66/173183466.db2.gz YHWIQECQHJCHQL-ZDUSSCGKSA-N 1 3 298.352 3.279 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000127751877 287295388 /nfs/dbraw/zinc/29/53/88/287295388.db2.gz MNORVTFBSXAJJO-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCNC1)c1ccc(Cl)cc1 ZINC000043326207 175007799 /nfs/dbraw/zinc/00/77/99/175007799.db2.gz JSQMSSHSUNUXLM-KBPBESRZSA-N 1 3 252.789 3.133 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@H](C[NH3+])C1 ZINC000044528000 175192929 /nfs/dbraw/zinc/19/29/29/175192929.db2.gz BIQCICBSRAHNFV-CQSZACIVSA-N 1 3 284.403 3.019 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000424340595 287311393 /nfs/dbraw/zinc/31/13/93/287311393.db2.gz CVYLORXRRRUPDB-DMHIMHRUSA-N 1 3 276.468 3.418 20 0 CGADHO C(C1CCN(C[C@@H]2CCCCO2)CC1)[NH+]1CCCCCC1 ZINC000048563694 416454552 /nfs/dbraw/zinc/45/45/52/416454552.db2.gz FQHVFNQDNOFBFG-SFHVURJKSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000315061936 416537624 /nfs/dbraw/zinc/53/76/24/416537624.db2.gz ZYYVSBGNYJTAQJ-DJIMGWMZSA-N 1 3 280.415 3.442 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000315061939 416537968 /nfs/dbraw/zinc/53/79/68/416537968.db2.gz ZYYVSBGNYJTAQJ-PVAVHDDUSA-N 1 3 280.415 3.442 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCCC2CCOCC2)[C@H]1CCN ZINC000404258718 416551616 /nfs/dbraw/zinc/55/16/16/416551616.db2.gz CJAQKKDCXDGYBR-WBVHZDCISA-N 1 3 282.472 3.033 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@H]1CCN ZINC000404258718 416551618 /nfs/dbraw/zinc/55/16/18/416551618.db2.gz CJAQKKDCXDGYBR-WBVHZDCISA-N 1 3 282.472 3.033 20 0 CGADHO C[C@@H]1CCCN(Cc2coc3ccccc23)[C@H]1CC[NH3+] ZINC000404267811 416551653 /nfs/dbraw/zinc/55/16/53/416551653.db2.gz IPAYQLGLMGSFRW-CJNGLKHVSA-N 1 3 272.392 3.382 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915778 416563233 /nfs/dbraw/zinc/56/32/33/416563233.db2.gz MUROYHULGOWWJD-ZJPYXAASSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCO1 ZINC000420915778 416563237 /nfs/dbraw/zinc/56/32/37/416563237.db2.gz MUROYHULGOWWJD-ZJPYXAASSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CN3CCCC[C@H]3C)C2)CCO1 ZINC000420915778 416563241 /nfs/dbraw/zinc/56/32/41/416563241.db2.gz MUROYHULGOWWJD-ZJPYXAASSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CN3CCCC[C@H]3C)C2)CCO1 ZINC000420915778 416563244 /nfs/dbraw/zinc/56/32/44/416563244.db2.gz MUROYHULGOWWJD-ZJPYXAASSA-N 1 3 294.483 3.140 20 0 CGADHO Cc1cccc(CC[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000130682985 287361011 /nfs/dbraw/zinc/36/10/11/287361011.db2.gz GNOYOBYSDVWZGM-UHFFFAOYSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1cccc(CCNC2CC[NH+](CC(C)C)CC2)c1 ZINC000130682985 287361013 /nfs/dbraw/zinc/36/10/13/287361013.db2.gz GNOYOBYSDVWZGM-UHFFFAOYSA-N 1 3 274.452 3.248 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000681755447 543807034 /nfs/dbraw/zinc/80/70/34/543807034.db2.gz VDUKZQYEZIZZOH-AEFFLSMTSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000681755447 543807037 /nfs/dbraw/zinc/80/70/37/543807037.db2.gz VDUKZQYEZIZZOH-AEFFLSMTSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000131128482 287371344 /nfs/dbraw/zinc/37/13/44/287371344.db2.gz VMNBIPWUXJCWEE-CZUORRHYSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1CC[C@H](CN2CCC(C[NH+]3CCCCCC3)CC2)O1 ZINC000682755276 543865144 /nfs/dbraw/zinc/86/51/44/543865144.db2.gz FBDWJVZZCBRSHA-FUHWJXTLSA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)(C[NH2+]Cc1ccc2cnccc2c1)CN1CCCC1 ZINC000683775604 543941322 /nfs/dbraw/zinc/94/13/22/543941322.db2.gz INDCSSIPVGHSHH-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000684394097 543992587 /nfs/dbraw/zinc/99/25/87/543992587.db2.gz WYOZZFNEGOSUCF-MUQADHOPSA-N 1 3 294.483 3.187 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685410744 544066450 /nfs/dbraw/zinc/06/64/50/544066450.db2.gz LAYATAWLAVHUTC-UYWPIULCSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)C/C=C\c2ccc(F)c(F)c2)C1 ZINC000685410744 544066454 /nfs/dbraw/zinc/06/64/54/544066454.db2.gz LAYATAWLAVHUTC-UYWPIULCSA-N 1 3 294.389 3.252 20 0 CGADHO CC[N@H+](CCCN[C@@H](COC)C1CC1)C1CCCCC1 ZINC000652237532 418939415 /nfs/dbraw/zinc/93/94/15/418939415.db2.gz SFBIDMJTXCRXPG-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@@H](COC)C1CC1)C1CCCCC1 ZINC000652237532 418939419 /nfs/dbraw/zinc/93/94/19/418939419.db2.gz SFBIDMJTXCRXPG-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@H+](CCCN[C@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000652238179 418940314 /nfs/dbraw/zinc/94/03/14/418940314.db2.gz WFNLJRTZLASCIU-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000652238179 418940317 /nfs/dbraw/zinc/94/03/17/418940317.db2.gz WFNLJRTZLASCIU-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)CC1CCC1 ZINC000665267608 419096314 /nfs/dbraw/zinc/09/63/14/419096314.db2.gz ZNJNKGNTGWZBOK-BBWFWOEESA-N 1 3 264.457 3.467 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000665274512 419097990 /nfs/dbraw/zinc/09/79/90/419097990.db2.gz RYMYOAUIIKOHPA-UJWQCDCRSA-N 1 3 284.447 3.443 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1nsc2ccccc21 ZINC000665275716 419099931 /nfs/dbraw/zinc/09/99/31/419099931.db2.gz PUYXEQRUWPFALH-UKRRQHHQSA-N 1 3 289.448 3.088 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)C1CCCCC1 ZINC000665283171 419103342 /nfs/dbraw/zinc/10/33/42/419103342.db2.gz ISZSZPWMIOAMGG-IIAWOOMASA-N 1 3 252.446 3.181 20 0 CGADHO COCC1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000655817215 419106669 /nfs/dbraw/zinc/10/66/69/419106669.db2.gz IVBZPHCMERDNLV-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000655847579 419118274 /nfs/dbraw/zinc/11/82/74/419118274.db2.gz BZOCNHHPIVEUMO-HOTGVXAUSA-N 1 3 282.472 3.187 20 0 CGADHO CC[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000655847580 419119473 /nfs/dbraw/zinc/11/94/73/419119473.db2.gz BZOCNHHPIVEUMO-HZPDHXFCSA-N 1 3 282.472 3.187 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](N[C@H](C)CC[NH+](C)C)CC2 ZINC000655703446 419070779 /nfs/dbraw/zinc/07/07/79/419070779.db2.gz QKSVJJAAYCQQTI-ZBFHGGJFSA-N 1 3 260.425 3.221 20 0 CGADHO Cc1ccc(CCC[NH2+][C@H]2CCC[C@H](N)C2)c(C)c1 ZINC000656196775 419148934 /nfs/dbraw/zinc/14/89/34/419148934.db2.gz FVPMFMSWVUSWPA-IRXDYDNUSA-N 1 3 260.425 3.096 20 0 CGADHO NC1(C[NH2+]Cc2cccc(C3CCCC3)c2)CCC1 ZINC000656787118 419219631 /nfs/dbraw/zinc/21/96/31/419219631.db2.gz ULGJCKZPRDPWGT-UHFFFAOYSA-N 1 3 258.409 3.315 20 0 CGADHO C[C@@H]1[C@H](NCC2([NH3+])CCCC2)C[C@H]1c1ccccc1 ZINC000656789532 419220790 /nfs/dbraw/zinc/22/07/90/419220790.db2.gz PQYBWNJIXYNJFH-NUEKZKHPSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@H]1CCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612599 419313673 /nfs/dbraw/zinc/31/36/73/419313673.db2.gz AUDQHUNDLHAIMX-YJBOKZPZSA-N 1 3 287.451 3.072 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000657626331 419315782 /nfs/dbraw/zinc/31/57/82/419315782.db2.gz JMGOTMBFUWFCOZ-MSOLQXFVSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000657626331 419315784 /nfs/dbraw/zinc/31/57/84/419315784.db2.gz JMGOTMBFUWFCOZ-MSOLQXFVSA-N 1 3 272.436 3.062 20 0 CGADHO COc1cccc(C2([NH2+]CC[C@H]3CCCN3C)CCC2)c1 ZINC000662109028 419337017 /nfs/dbraw/zinc/33/70/17/419337017.db2.gz DTEWZCCWIWZLPE-MRXNPFEDSA-N 1 3 288.435 3.148 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc2cnccc2o1 ZINC000657815651 419365798 /nfs/dbraw/zinc/36/57/98/419365798.db2.gz IXGIZKPDOAPZGH-LBPRGKRZSA-N 1 3 275.396 3.066 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C(C)(C)C(F)F ZINC000657990741 419481716 /nfs/dbraw/zinc/48/17/16/419481716.db2.gz RHHJNFOWPHFFPS-LBPRGKRZSA-N 1 3 276.415 3.378 20 0 CGADHO C[C@H](NC1CC([NH+]2CCCCC2)C1)C(C)(C)C(F)F ZINC000658000159 419484630 /nfs/dbraw/zinc/48/46/30/419484630.db2.gz UXNNKJAQHSIXIH-HIFPTAJRSA-N 1 3 274.399 3.273 20 0 CGADHO CC[C@@H](COCC1CC1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000658091214 419565168 /nfs/dbraw/zinc/56/51/68/419565168.db2.gz QJPNOYQUYCSYBK-HNNXBMFYSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000663498705 419635203 /nfs/dbraw/zinc/63/52/03/419635203.db2.gz DMGZCMDZPMWKAL-XJKSGUPXSA-N 1 3 266.404 3.110 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CCc1cccc(F)c1 ZINC000663498705 419635211 /nfs/dbraw/zinc/63/52/11/419635211.db2.gz DMGZCMDZPMWKAL-XJKSGUPXSA-N 1 3 266.404 3.110 20 0 CGADHO CCOC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663465152 419614840 /nfs/dbraw/zinc/61/48/40/419614840.db2.gz IHTFUBNKLOYNNV-WWDZGPRUSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466794 419620404 /nfs/dbraw/zinc/62/04/04/419620404.db2.gz AFWJYQKMYLASEY-HOCLYGCPSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)c1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000394262696 260378507 /nfs/dbraw/zinc/37/85/07/260378507.db2.gz KFVKWFPKWSKPDZ-RHSMWYFYSA-N 1 3 260.425 3.227 20 0 CGADHO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000394262696 260378509 /nfs/dbraw/zinc/37/85/09/260378509.db2.gz KFVKWFPKWSKPDZ-RHSMWYFYSA-N 1 3 260.425 3.227 20 0 CGADHO CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000394262696 260378510 /nfs/dbraw/zinc/37/85/10/260378510.db2.gz KFVKWFPKWSKPDZ-RHSMWYFYSA-N 1 3 260.425 3.227 20 0 CGADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000390231582 262161562 /nfs/dbraw/zinc/16/15/62/262161562.db2.gz HIIAAFPXVGXKFA-MGPQQGTHSA-N 1 3 274.399 3.322 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CC2CCN(C)CC2)s1 ZINC000044517005 270036773 /nfs/dbraw/zinc/03/67/73/270036773.db2.gz XGCSPARLVKLVLF-GFCCVEGCSA-N 1 3 266.454 3.303 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@H+](C)C[C@H]3C)ccc2c1 ZINC000105480835 270047393 /nfs/dbraw/zinc/04/73/93/270047393.db2.gz SOJGQQIRUVORKB-KUHUBIRLSA-N 1 3 298.430 3.278 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)ccc2c1 ZINC000105480835 270047394 /nfs/dbraw/zinc/04/73/94/270047394.db2.gz SOJGQQIRUVORKB-KUHUBIRLSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc2ccccc2c1 ZINC000105480816 270047417 /nfs/dbraw/zinc/04/74/17/270047417.db2.gz JDTBKFNTSCXPBX-KDOFPFPSSA-N 1 3 268.404 3.270 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc2ccccc2c1 ZINC000105480816 270047418 /nfs/dbraw/zinc/04/74/18/270047418.db2.gz JDTBKFNTSCXPBX-KDOFPFPSSA-N 1 3 268.404 3.270 20 0 CGADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183124857 270054930 /nfs/dbraw/zinc/05/49/30/270054930.db2.gz KIRUOAJBNHFFLU-OKZBNKHCSA-N 1 3 272.436 3.287 20 0 CGADHO CC(C)C[C@H]1OCCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000186833843 270067454 /nfs/dbraw/zinc/06/74/54/270067454.db2.gz ICHSGHAZQWXXEU-IAGOWNOFSA-N 1 3 296.499 3.433 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000251890006 270091472 /nfs/dbraw/zinc/09/14/72/270091472.db2.gz RTKDQNTZIOBRIS-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000525991058 270121919 /nfs/dbraw/zinc/12/19/19/270121919.db2.gz AJVXQQPYVIQVCK-CQSZACIVSA-N 1 3 282.378 3.446 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)N1CCCCC1 ZINC000527692130 270132005 /nfs/dbraw/zinc/13/20/05/270132005.db2.gz QEQFSJNLCDGMGG-JHNDHUHGSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)CN(C)C ZINC000527899834 270143094 /nfs/dbraw/zinc/14/30/94/270143094.db2.gz FZUYPBDWRKJIGD-BMIGLBTASA-N 1 3 284.806 3.254 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530219338 270196097 /nfs/dbraw/zinc/19/60/97/270196097.db2.gz LJKWGZGXANDNSC-TUVASFSCSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219338 270196098 /nfs/dbraw/zinc/19/60/98/270196098.db2.gz LJKWGZGXANDNSC-TUVASFSCSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217684 270196180 /nfs/dbraw/zinc/19/61/80/270196180.db2.gz VPUOHJVGVIVMAF-QPSCCSFWSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217684 270196181 /nfs/dbraw/zinc/19/61/81/270196181.db2.gz VPUOHJVGVIVMAF-QPSCCSFWSA-N 1 3 250.430 3.075 20 0 CGADHO FC(F)(F)c1cccc2c1CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000530232804 270196806 /nfs/dbraw/zinc/19/68/06/270196806.db2.gz BDSKMJKRFCOONX-LBPRGKRZSA-N 1 3 298.352 3.063 20 0 CGADHO CC[C@@H]1CCCN1CC(C)C[N@@H+]1CCC[C@H]1CC ZINC000533287171 270223074 /nfs/dbraw/zinc/22/30/74/270223074.db2.gz UNGKUOMOTGVBGD-HZPDHXFCSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@@H]1CCCN1CC(C)C[N@H+]1CCC[C@H]1CC ZINC000533287171 270223075 /nfs/dbraw/zinc/22/30/75/270223075.db2.gz UNGKUOMOTGVBGD-HZPDHXFCSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@@H](CNCC1([NH3+])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000414875069 274224265 /nfs/dbraw/zinc/22/42/65/274224265.db2.gz JFCGNOQZAQHMIQ-NSHDSACASA-N 1 3 286.341 3.280 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1)CN(C)C ZINC000310240917 274224807 /nfs/dbraw/zinc/22/48/07/274224807.db2.gz LTKHEJBMUDFNSG-RYUDHWBXSA-N 1 3 299.256 3.297 20 0 CGADHO C[C@@H]1CCN(Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000163490739 274303254 /nfs/dbraw/zinc/30/32/54/274303254.db2.gz QJCOAPUXAGGHGR-OLZOCXBDSA-N 1 3 274.433 3.318 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000338300270 276096773 /nfs/dbraw/zinc/09/67/73/276096773.db2.gz ZMUSECACNHYOBI-HOTGVXAUSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000338300270 276096774 /nfs/dbraw/zinc/09/67/74/276096774.db2.gz ZMUSECACNHYOBI-HOTGVXAUSA-N 1 3 252.446 3.230 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000338300270 276096775 /nfs/dbraw/zinc/09/67/75/276096775.db2.gz ZMUSECACNHYOBI-HOTGVXAUSA-N 1 3 252.446 3.230 20 0 CGADHO CC1(C)CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000311424934 276101826 /nfs/dbraw/zinc/10/18/26/276101826.db2.gz BJQZBJSCHJUVRH-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423386627 276465790 /nfs/dbraw/zinc/46/57/90/276465790.db2.gz MCEYPEHQHSBFSV-CXAGYDPISA-N 1 3 258.409 3.348 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423160030 276546479 /nfs/dbraw/zinc/54/64/79/276546479.db2.gz QHOMPIALHQCCIX-ZJIFWQFVSA-N 1 3 252.446 3.181 20 0 CGADHO CCc1ccc2nccc(N3CCC4(CC[NH2+]4)CC3)c2c1 ZINC000335022758 276673971 /nfs/dbraw/zinc/67/39/71/276673971.db2.gz MFDZCGAHELEEJQ-UHFFFAOYSA-N 1 3 281.403 3.130 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337385861 276771923 /nfs/dbraw/zinc/77/19/23/276771923.db2.gz HSEYJRLFLLJVRU-MRXNPFEDSA-N 1 3 258.409 3.171 20 0 CGADHO C[NH2+]CC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000334998973 277265149 /nfs/dbraw/zinc/26/51/49/277265149.db2.gz XUQWIIAMIHUHHR-MRXNPFEDSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H](C)c1ccccc1 ZINC000414855425 277626351 /nfs/dbraw/zinc/62/63/51/277626351.db2.gz NEERYFNSBGXNKC-AIANPOQGSA-N 1 3 260.425 3.156 20 0 CGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298597981 277702077 /nfs/dbraw/zinc/70/20/77/277702077.db2.gz YXLBWYSEHYPILT-HUUCEWRRSA-N 1 3 287.451 3.465 20 0 CGADHO C1CC[C@H]2C[C@H]([NH2+][C@@H]3CCCNCC3)CC[C@@H]2C1 ZINC000422799693 277759303 /nfs/dbraw/zinc/75/93/03/277759303.db2.gz YCHHJUFUBJYCLU-CAOSSQGBSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)=CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907491 288000806 /nfs/dbraw/zinc/00/08/06/288000806.db2.gz IZXABYHTRPTYBN-RTBURBONSA-N 1 3 284.447 3.407 20 0 CGADHO CC(C)=CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393907491 288000807 /nfs/dbraw/zinc/00/08/07/288000807.db2.gz IZXABYHTRPTYBN-RTBURBONSA-N 1 3 284.447 3.407 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](CNC)C2)C1 ZINC000394613774 288002751 /nfs/dbraw/zinc/00/27/51/288002751.db2.gz JXLZDLFGQOJKPY-PMPSAXMXSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](CNC)C2)C1 ZINC000394613774 288002753 /nfs/dbraw/zinc/00/27/53/288002753.db2.gz JXLZDLFGQOJKPY-PMPSAXMXSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@H](CN2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000394613774 288002755 /nfs/dbraw/zinc/00/27/55/288002755.db2.gz JXLZDLFGQOJKPY-PMPSAXMXSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000414805793 278034862 /nfs/dbraw/zinc/03/48/62/278034862.db2.gz PSJSWDMGHDYFNL-IRXDYDNUSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)N1CCCCC1 ZINC000338014078 278173949 /nfs/dbraw/zinc/17/39/49/278173949.db2.gz DXYVHWMQBNNKMY-OIISXLGYSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](C[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397425115 288023760 /nfs/dbraw/zinc/02/37/60/288023760.db2.gz XBCVCYFDWCYFMI-ANQUJSFKSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@H](C[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397425115 288023761 /nfs/dbraw/zinc/02/37/61/288023761.db2.gz XBCVCYFDWCYFMI-ANQUJSFKSA-N 1 3 260.425 3.095 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c2ccccc2n1 ZINC000397432808 288023772 /nfs/dbraw/zinc/02/37/72/288023772.db2.gz FOQGWAKFFUDORN-LXZKKBNFSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCC(F)(F)CC1 ZINC000353285183 278282936 /nfs/dbraw/zinc/28/29/36/278282936.db2.gz ATLAEDUYVVXWIB-AEGPPILISA-N 1 3 286.410 3.417 20 0 CGADHO CC[C@H](NCC1(CCOC)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423065830 288037088 /nfs/dbraw/zinc/03/70/88/288037088.db2.gz VGJBATRXDFEVOZ-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO CC[C@H]([NH2+]CC1(CCOC)CCCCC1)[C@@H]1CCCN1 ZINC000423065830 288037089 /nfs/dbraw/zinc/03/70/89/288037089.db2.gz VGJBATRXDFEVOZ-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ccc(F)cc1Cl ZINC000422754681 278362666 /nfs/dbraw/zinc/36/26/66/278362666.db2.gz JWQJAJQBQOJDJC-VHSXEESVSA-N 1 3 258.768 3.257 20 0 CGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000415082462 288060453 /nfs/dbraw/zinc/06/04/53/288060453.db2.gz OJSXUXYWGNUNPR-XIRDDKMYSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)c1ccc(C)cc1 ZINC000415082462 288060456 /nfs/dbraw/zinc/06/04/56/288060456.db2.gz OJSXUXYWGNUNPR-XIRDDKMYSA-N 1 3 260.425 3.424 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423054660 288063114 /nfs/dbraw/zinc/06/31/14/288063114.db2.gz BYXVSYLCJHPHRZ-MNOVXSKESA-N 1 3 274.330 3.229 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423391105 288068734 /nfs/dbraw/zinc/06/87/34/288068734.db2.gz PHYXZBDSDAPREZ-ZNMIVQPWSA-N 1 3 292.423 3.014 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000422719741 278945684 /nfs/dbraw/zinc/94/56/84/278945684.db2.gz ZEOMBZPAYZQHBM-CVEARBPZSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1csc([C@@H]2CCCCN2CCC2CC[NH2+]CC2)n1 ZINC000359227582 279045979 /nfs/dbraw/zinc/04/59/79/279045979.db2.gz WQUNENKYTSGFRK-HNNXBMFYSA-N 1 3 293.480 3.368 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000422707385 279082750 /nfs/dbraw/zinc/08/27/50/279082750.db2.gz WNQDDSSBRRWRFA-VNHYZAJKSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2sccc21 ZINC000245391205 288104614 /nfs/dbraw/zinc/10/46/14/288104614.db2.gz PBZITTRBJPIWSN-UXOAXIEHSA-N 1 3 278.465 3.444 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCCc2sccc21 ZINC000245391205 288104616 /nfs/dbraw/zinc/10/46/16/288104616.db2.gz PBZITTRBJPIWSN-UXOAXIEHSA-N 1 3 278.465 3.444 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000348306079 279122986 /nfs/dbraw/zinc/12/29/86/279122986.db2.gz XGAXZLWYALRXDQ-ZWKOTPCHSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1cccnc1 ZINC000348306079 279122990 /nfs/dbraw/zinc/12/29/90/279122990.db2.gz XGAXZLWYALRXDQ-ZWKOTPCHSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000336846527 279139020 /nfs/dbraw/zinc/13/90/20/279139020.db2.gz AQXAZDRZYKYWEM-QAPCUYQASA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423293644 279289422 /nfs/dbraw/zinc/28/94/22/279289422.db2.gz AKECKQLJFRBKPM-GBIKHYSHSA-N 1 3 297.240 3.182 20 0 CGADHO C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)CN1CCCC1 ZINC000084469383 279346776 /nfs/dbraw/zinc/34/67/76/279346776.db2.gz XEVBHHSDAWKWPL-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423133534 279636703 /nfs/dbraw/zinc/63/67/03/279636703.db2.gz QJLRHWMWLFDLKM-RDBSUJKOSA-N 1 3 274.399 3.309 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCNC1 ZINC000414919067 280159251 /nfs/dbraw/zinc/15/92/51/280159251.db2.gz VXKHTEAYBSHMLD-AGIUHOORSA-N 1 3 278.362 3.087 20 0 CGADHO CN1CCCC[C@@H]1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652732 288211773 /nfs/dbraw/zinc/21/17/73/288211773.db2.gz WHVRNUUBTSMFSZ-SJLPKXTDSA-N 1 3 287.451 3.387 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000368752912 280270322 /nfs/dbraw/zinc/27/03/22/280270322.db2.gz FSHXGMDFJDWCPU-QRVBRYPASA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368752912 280270325 /nfs/dbraw/zinc/27/03/25/280270325.db2.gz FSHXGMDFJDWCPU-QRVBRYPASA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368752912 280270328 /nfs/dbraw/zinc/27/03/28/280270328.db2.gz FSHXGMDFJDWCPU-QRVBRYPASA-N 1 3 286.463 3.470 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC(F)(F)C1 ZINC000529541423 288261796 /nfs/dbraw/zinc/26/17/96/288261796.db2.gz LBNXJOWUFDUORZ-QWHCGFSZSA-N 1 3 274.399 3.274 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CN[C@@H]1CCCC12CCC2 ZINC000423391380 281001822 /nfs/dbraw/zinc/00/18/22/281001822.db2.gz PGTPAWULJZZZHF-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)C2 ZINC000423394342 281123563 /nfs/dbraw/zinc/12/35/63/281123563.db2.gz RHQXZPRRDLCOFW-DUFGSWQCSA-N 1 3 258.409 3.088 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2CCc3ccccc3CC2)C1 ZINC000530213712 288300905 /nfs/dbraw/zinc/30/09/05/288300905.db2.gz VOFBMIMTAGWSRR-ROUUACIJSA-N 1 3 272.436 3.041 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532463478 288362851 /nfs/dbraw/zinc/36/28/51/288362851.db2.gz BDTFWIXEMPDUID-SJLPKXTDSA-N 1 3 274.452 3.432 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532463478 288362852 /nfs/dbraw/zinc/36/28/52/288362852.db2.gz BDTFWIXEMPDUID-SJLPKXTDSA-N 1 3 274.452 3.432 20 0 CGADHO CCc1nc2ccccc2c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000548791379 289022803 /nfs/dbraw/zinc/02/28/03/289022803.db2.gz JPCGFQORBVYGOY-DZGCQCFKSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1nc2ccccc2c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000548791379 289022804 /nfs/dbraw/zinc/02/28/04/289022804.db2.gz JPCGFQORBVYGOY-DZGCQCFKSA-N 1 3 297.446 3.422 20 0 CGADHO CCC[N@H+](CCCN(CC)CC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000548918425 289029068 /nfs/dbraw/zinc/02/90/68/289029068.db2.gz RIKVWKZCRWOAOI-BRWVUGGUSA-N 1 3 296.499 3.244 20 0 CGADHO CCC[N@@H+](CCCN(CC)CC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000548918425 289029072 /nfs/dbraw/zinc/02/90/72/289029072.db2.gz RIKVWKZCRWOAOI-BRWVUGGUSA-N 1 3 296.499 3.244 20 0 CGADHO CC1CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000549077414 289034558 /nfs/dbraw/zinc/03/45/58/289034558.db2.gz IIMBGWZQIKPPGP-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000550894339 289089018 /nfs/dbraw/zinc/08/90/18/289089018.db2.gz DQMLGCLUNWVEPC-OIISXLGYSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000550894339 289089022 /nfs/dbraw/zinc/08/90/22/289089022.db2.gz DQMLGCLUNWVEPC-OIISXLGYSA-N 1 3 296.499 3.169 20 0 CGADHO CC1=CC[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000550893419 289089144 /nfs/dbraw/zinc/08/91/44/289089144.db2.gz XHEXADVIXXWOBQ-QGZVFWFLSA-N 1 3 288.435 3.215 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552111345 289164389 /nfs/dbraw/zinc/16/43/89/289164389.db2.gz YOIMUVZVIRXQAM-GDBMZVCRSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552111345 289164390 /nfs/dbraw/zinc/16/43/90/289164390.db2.gz YOIMUVZVIRXQAM-GDBMZVCRSA-N 1 3 278.465 3.097 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000554384904 289280287 /nfs/dbraw/zinc/28/02/87/289280287.db2.gz NQXWFPRZDSJJFI-HYVNUMGLSA-N 1 3 264.457 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453145533 289308912 /nfs/dbraw/zinc/30/89/12/289308912.db2.gz WSPWFRZFOKHVGN-ARFHVFGLSA-N 1 3 250.430 3.028 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189145527 289380583 /nfs/dbraw/zinc/38/05/83/289380583.db2.gz VWKAWWNJCJSMAN-SOUVJXGZSA-N 1 3 250.430 3.172 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000556385500 289388900 /nfs/dbraw/zinc/38/89/00/289388900.db2.gz ITSVQLGROQTDAT-OAHLLOKOSA-N 1 3 254.462 3.236 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000559153692 289537687 /nfs/dbraw/zinc/53/76/87/289537687.db2.gz DWVLALHRJFTGEI-IGKNDFSCSA-N 1 3 296.499 3.433 20 0 CGADHO Cc1ccc(F)c(CNCCCCC[NH+]2CCCC2)c1 ZINC000559326978 289543833 /nfs/dbraw/zinc/54/38/33/289543833.db2.gz VNSYGMBIAPOGLO-UHFFFAOYSA-N 1 3 278.415 3.490 20 0 CGADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000423008631 294713196 /nfs/dbraw/zinc/71/31/96/294713196.db2.gz ASLMTXHUFOJBKJ-RRFJBIMHSA-N 1 3 286.410 3.465 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414942747 297107915 /nfs/dbraw/zinc/10/79/15/297107915.db2.gz MWXOYKZLPNMDEM-ISWURRPUSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCCSc2ccc(Cl)cc21 ZINC000423296031 298530234 /nfs/dbraw/zinc/53/02/34/298530234.db2.gz GAFODZRYTMUNQX-MFKMUULPSA-N 1 3 284.856 3.451 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422798341 303400790 /nfs/dbraw/zinc/40/07/90/303400790.db2.gz QSJZHOPAZNEQAK-HMDCTGQHSA-N 1 3 264.457 3.452 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)C1 ZINC000563425991 321997041 /nfs/dbraw/zinc/99/70/41/321997041.db2.gz RJJDPQPCUOHHDY-IRXDYDNUSA-N 1 3 272.436 3.259 20 0 CGADHO CC(C)[C@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)c1ccccc1 ZINC000564569775 322034641 /nfs/dbraw/zinc/03/46/41/322034641.db2.gz CLWLGGLEGPVZQK-INMHGKMJSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)c1ccccc1 ZINC000564569775 322034644 /nfs/dbraw/zinc/03/46/44/322034644.db2.gz CLWLGGLEGPVZQK-INMHGKMJSA-N 1 3 260.425 3.095 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@H]3CCC[C@H](N)C3)c[nH]c21 ZINC000565227271 322068114 /nfs/dbraw/zinc/06/81/14/322068114.db2.gz XGMNQDIBPXMNNA-HOTGVXAUSA-N 1 3 285.435 3.132 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000565710328 322087717 /nfs/dbraw/zinc/08/77/17/322087717.db2.gz FOGDIVAFSYXDDI-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000565710328 322087719 /nfs/dbraw/zinc/08/77/19/322087719.db2.gz FOGDIVAFSYXDDI-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO CC[C@H](Cc1ccccc1)N(CC)C[C@]1(C)CC[NH2+]C1 ZINC000565834118 322093316 /nfs/dbraw/zinc/09/33/16/322093316.db2.gz YCKZDESGDMVMLH-QZTJIDSGSA-N 1 3 274.452 3.329 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000566572669 322130156 /nfs/dbraw/zinc/13/01/56/322130156.db2.gz VPVQAHKIVUNLRK-QCQGSNGOSA-N 1 3 296.842 3.276 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000566673474 322133667 /nfs/dbraw/zinc/13/36/67/322133667.db2.gz NVAUANCSOBAGRG-UHOFOFEASA-N 1 3 287.451 3.468 20 0 CGADHO Cc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1C(F)(F)F ZINC000569103692 322234836 /nfs/dbraw/zinc/23/48/36/322234836.db2.gz QIWMEGCYGCGCTQ-WDEREUQCSA-N 1 3 274.330 3.229 20 0 CGADHO [NH3+]CCC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000571332916 322296041 /nfs/dbraw/zinc/29/60/41/322296041.db2.gz ZWJVUFJLSQGFHH-UPHRSURJSA-N 1 3 280.362 3.039 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CCC1)CNCC2 ZINC000571572398 322302340 /nfs/dbraw/zinc/30/23/40/322302340.db2.gz LGOTZPSMEZRNLW-SFHVURJKSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CCC1)CNCC2 ZINC000571572398 322302342 /nfs/dbraw/zinc/30/23/42/322302342.db2.gz LGOTZPSMEZRNLW-SFHVURJKSA-N 1 3 270.420 3.097 20 0 CGADHO C[C@H](c1cccc(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000572644064 322347852 /nfs/dbraw/zinc/34/78/52/322347852.db2.gz FVQZJTNWNRKWCA-CZUORRHYSA-N 1 3 276.399 3.208 20 0 CGADHO CCc1nc(C)c(CN2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000572937341 322361940 /nfs/dbraw/zinc/36/19/40/322361940.db2.gz YPPLJOVZEBDEGS-UHFFFAOYSA-N 1 3 293.455 3.098 20 0 CGADHO CCc1nc(C)c(CN2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000572937341 322361942 /nfs/dbraw/zinc/36/19/42/322361942.db2.gz YPPLJOVZEBDEGS-UHFFFAOYSA-N 1 3 293.455 3.098 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]CC1Cc2ccccc2C1 ZINC000573497251 322390950 /nfs/dbraw/zinc/39/09/50/322390950.db2.gz YUGNYIZQIFJFDB-MRXNPFEDSA-N 1 3 286.463 3.256 20 0 CGADHO C(COCC1CCC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000582819398 329261622 /nfs/dbraw/zinc/26/16/22/329261622.db2.gz HEWYMTZJXKLTKE-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000583138099 329325576 /nfs/dbraw/zinc/32/55/76/329325576.db2.gz QAXVFCFBMAKUNA-CQJMVSDSSA-N 1 3 250.430 3.205 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(C)(C)C)s1 ZINC000576464781 335207287 /nfs/dbraw/zinc/20/72/87/335207287.db2.gz OSQGPOJDLRIPQP-WDEREUQCSA-N 1 3 254.443 3.261 20 0 CGADHO CC(C)NCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000580767953 335501385 /nfs/dbraw/zinc/50/13/85/335501385.db2.gz BDGGYJSPPHPLEE-UHFFFAOYSA-N 1 3 282.472 3.235 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)c(C)c1 ZINC000578905442 335688355 /nfs/dbraw/zinc/68/83/55/335688355.db2.gz CIFWFTJNMJOGTA-BHYGNILZSA-N 1 3 260.425 3.094 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CCCCCC2)C[C@H](C)O1 ZINC000195250559 336050406 /nfs/dbraw/zinc/05/04/06/336050406.db2.gz MFWLWFUHEJAEOV-IYBDPMFKSA-N 1 3 282.472 3.188 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581364075 336061416 /nfs/dbraw/zinc/06/14/16/336061416.db2.gz SNVSCDABGYCZOX-CVEARBPZSA-N 1 3 264.388 3.051 20 0 CGADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000581364075 336061417 /nfs/dbraw/zinc/06/14/17/336061417.db2.gz SNVSCDABGYCZOX-CVEARBPZSA-N 1 3 264.388 3.051 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000581634821 336115278 /nfs/dbraw/zinc/11/52/78/336115278.db2.gz GXCYJZFVEPVVHI-NVXWUHKLSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000581634821 336115279 /nfs/dbraw/zinc/11/52/79/336115279.db2.gz GXCYJZFVEPVVHI-NVXWUHKLSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@@H](C[NH2+]CCCN1CCCC1)c1cc(F)cc(F)c1 ZINC000449224154 534056767 /nfs/dbraw/zinc/05/67/67/534056767.db2.gz ZZVPDPVZXWCFOC-ZDUSSCGKSA-N 1 3 282.378 3.144 20 0 CGADHO C[C@@H](CNCCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000449224154 534056772 /nfs/dbraw/zinc/05/67/72/534056772.db2.gz ZZVPDPVZXWCFOC-ZDUSSCGKSA-N 1 3 282.378 3.144 20 0 CGADHO C[C@]1(C[NH2+]CCCCCOc2ccccc2)CCCNC1 ZINC000414902296 534176281 /nfs/dbraw/zinc/17/62/81/534176281.db2.gz HEBYCGDIHKTYEW-GOSISDBHSA-N 1 3 290.451 3.215 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCC(C)(C)C1)N1CCCCC1 ZINC000346884367 518177198 /nfs/dbraw/zinc/17/71/98/518177198.db2.gz ZYCMFWWPYINQLN-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO c1cc2cccc(C[NH2+]C3CCN(CC4CC4)CC3)c2o1 ZINC000449089134 534476815 /nfs/dbraw/zinc/47/68/15/534476815.db2.gz JFNZKBICTUXVNN-UHFFFAOYSA-N 1 3 284.403 3.397 20 0 CGADHO Cc1csc(C2(NCCC3CC[NH2+]CC3)CCCC2)n1 ZINC000359228438 534794333 /nfs/dbraw/zinc/79/43/33/534794333.db2.gz XGXIOKRJQVQBRB-UHFFFAOYSA-N 1 3 293.480 3.200 20 0 CGADHO Cc1ccsc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000094875267 525856445 /nfs/dbraw/zinc/85/64/45/525856445.db2.gz HWAHURXXDSNLME-UHFFFAOYSA-N 1 3 287.432 3.210 20 0 CGADHO CC(C)(C[NH2+]C1CC(OC(C)(C)C)C1)CN1CCCC1 ZINC000357847128 527170086 /nfs/dbraw/zinc/17/00/86/527170086.db2.gz AJGIYTWOQPHZQI-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)(CNC1CC(OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000357847128 527170090 /nfs/dbraw/zinc/17/00/90/527170090.db2.gz AJGIYTWOQPHZQI-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449037714 527819774 /nfs/dbraw/zinc/81/97/74/527819774.db2.gz OJCFSURXGMYGHK-AWEZNQCLSA-N 1 3 272.392 3.206 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449037714 527819780 /nfs/dbraw/zinc/81/97/80/527819780.db2.gz OJCFSURXGMYGHK-AWEZNQCLSA-N 1 3 272.392 3.206 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000423372577 527876348 /nfs/dbraw/zinc/87/63/48/527876348.db2.gz RDIOTBYMXPQFKX-XOSAIJSUSA-N 1 3 288.435 3.092 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000359274001 528114816 /nfs/dbraw/zinc/11/48/16/528114816.db2.gz AEMHLVLQXOACOS-RHSMWYFYSA-N 1 3 260.425 3.241 20 0 CGADHO CCCN1CCC([NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000414228414 528204119 /nfs/dbraw/zinc/20/41/19/528204119.db2.gz LRALYDHEPLBQNU-UHFFFAOYSA-N 1 3 289.467 3.343 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1Cl ZINC000423299582 528207938 /nfs/dbraw/zinc/20/79/38/528207938.db2.gz BYGGXWMGYMHLLN-NEPJUHHUSA-N 1 3 284.831 3.373 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)[C@@H]2CC2(C)C)C1 ZINC000414069910 528260908 /nfs/dbraw/zinc/26/09/08/528260908.db2.gz KSWXMUHVUXWXLE-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC)C2CCCC2)C1 ZINC000449095361 528262462 /nfs/dbraw/zinc/26/24/62/528262462.db2.gz XYEYENKWIPDWTO-GDBMZVCRSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]CCCNC1CC1 ZINC000423532115 528438298 /nfs/dbraw/zinc/43/82/98/528438298.db2.gz USCDGSBZKXQPMO-GOSISDBHSA-N 1 3 274.452 3.376 20 0 CGADHO CCCOc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423338753 528725048 /nfs/dbraw/zinc/72/50/48/528725048.db2.gz INDYLCKZUVKGJD-AWEZNQCLSA-N 1 3 274.408 3.046 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424378484 528726105 /nfs/dbraw/zinc/72/61/05/528726105.db2.gz STOBALKJADOWPI-IAOVAPTHSA-N 1 3 276.424 3.396 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423259686 529068860 /nfs/dbraw/zinc/06/88/60/529068860.db2.gz FNTXMTVTFPIGTQ-GXFFZTMASA-N 1 3 285.229 3.083 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105461 529086534 /nfs/dbraw/zinc/08/65/34/529086534.db2.gz IAJVRBXNCGKCSQ-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423239676 529167831 /nfs/dbraw/zinc/16/78/31/529167831.db2.gz WHEKVQXIYOFXLF-GXFFZTMASA-N 1 3 272.339 3.066 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc(C)ccc1OC ZINC000425951459 529177500 /nfs/dbraw/zinc/17/75/00/529177500.db2.gz MTKATLOUBZLNCP-GOEBONIOSA-N 1 3 278.440 3.242 20 0 CGADHO CCSCCNC(C)(C)CC[NH+]1CCCCCC1 ZINC000437957090 529180079 /nfs/dbraw/zinc/18/00/79/529180079.db2.gz RQDGOWFSHRXUMR-UHFFFAOYSA-N 1 3 272.502 3.374 20 0 CGADHO CC[C@@H](N[C@@H](C)CCC[NH3+])c1cc(F)ccc1F ZINC000422916138 529199083 /nfs/dbraw/zinc/19/90/83/529199083.db2.gz CKNBGNXKKPQLPB-IINYFYTJSA-N 1 3 256.340 3.133 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423279488 529247634 /nfs/dbraw/zinc/24/76/34/529247634.db2.gz SAUQLMIHYKJHEG-WFASDCNBSA-N 1 3 266.454 3.433 20 0 CGADHO CCSc1ccccc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423347582 529257756 /nfs/dbraw/zinc/25/77/56/529257756.db2.gz QQISRMFJXWJSGT-ZDUSSCGKSA-N 1 3 276.449 3.369 20 0 CGADHO CC[C@H]1C[C@H](C[N@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463213 529326450 /nfs/dbraw/zinc/32/64/50/529326450.db2.gz YYZPDYFMEMPBGK-MSOLQXFVSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@H]1C[C@H](C[N@@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463213 529326454 /nfs/dbraw/zinc/32/64/54/529326454.db2.gz YYZPDYFMEMPBGK-MSOLQXFVSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@H]1C[C@H](CN(CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463213 529326456 /nfs/dbraw/zinc/32/64/56/529326456.db2.gz YYZPDYFMEMPBGK-MSOLQXFVSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449171427 529328859 /nfs/dbraw/zinc/32/88/59/529328859.db2.gz AELBPYVBSYEJKH-AEFFLSMTSA-N 1 3 294.483 3.331 20 0 CGADHO CC(C)Oc1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000110645542 535038399 /nfs/dbraw/zinc/03/83/99/535038399.db2.gz MUOHLIGZVWEOMO-CQSZACIVSA-N 1 3 276.424 3.033 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000514115093 535510794 /nfs/dbraw/zinc/51/07/94/535510794.db2.gz OHXTULXNRUMCOA-SFHVURJKSA-N 1 3 274.452 3.382 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000514115093 535510798 /nfs/dbraw/zinc/51/07/98/535510798.db2.gz OHXTULXNRUMCOA-SFHVURJKSA-N 1 3 274.452 3.382 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1OC ZINC000037648806 535804711 /nfs/dbraw/zinc/80/47/11/535804711.db2.gz INMSNIOKZLJYLC-WMLDXEAASA-N 1 3 288.435 3.220 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000157383641 618722090 /nfs/dbraw/zinc/72/20/90/618722090.db2.gz IVWDLOQFSQSIPH-HOCLYGCPSA-N 1 3 278.415 3.077 20 0 CGADHO COCCCC1(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCC1 ZINC000893094533 618994296 /nfs/dbraw/zinc/99/42/96/618994296.db2.gz LGKGDCXGMHYREG-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925512279 619007649 /nfs/dbraw/zinc/00/76/49/619007649.db2.gz BVNXUFUYXKGOFF-GJZGRUSLSA-N 1 3 290.838 3.231 20 0 CGADHO CCSc1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925647072 619105667 /nfs/dbraw/zinc/10/56/67/619105667.db2.gz XMMFSUVYNWQCOY-KBPBESRZSA-N 1 3 293.480 3.189 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1(F)F ZINC000925707374 619155154 /nfs/dbraw/zinc/15/51/54/619155154.db2.gz IBUOCGHIGDXHCQ-KFWWJZLASA-N 1 3 286.410 3.180 20 0 CGADHO Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)s1 ZINC000895379963 619817403 /nfs/dbraw/zinc/81/74/03/619817403.db2.gz WTPLAIILQOCKJG-IUODEOHRSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)CN(C)C)s1 ZINC000895379963 619817404 /nfs/dbraw/zinc/81/74/04/619817404.db2.gz WTPLAIILQOCKJG-IUODEOHRSA-N 1 3 295.496 3.312 20 0 CGADHO C[C@@H](NCCC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000925238876 620258058 /nfs/dbraw/zinc/25/80/58/620258058.db2.gz JCZBBVGESDJSNC-LLVKDONJSA-N 1 3 274.330 3.351 20 0 CGADHO Cc1cc(CNCc2ccc(CC[NH3+])cc2)ccc1Cl ZINC000841032044 620409192 /nfs/dbraw/zinc/40/91/92/620409192.db2.gz HXIMKRVGJAWDSM-UHFFFAOYSA-N 1 3 288.822 3.439 20 0 CGADHO CN(CCCCCCC[NH3+])Cc1ccccc1F ZINC000042436878 620871679 /nfs/dbraw/zinc/87/16/79/620871679.db2.gz GNLHNCHPKCSQIF-UHFFFAOYSA-N 1 3 252.377 3.167 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCCSc2ccccc2)C1 ZINC000902328027 621264696 /nfs/dbraw/zinc/26/46/96/621264696.db2.gz IJMREPKFPHOTLV-CQSZACIVSA-N 1 3 278.465 3.147 20 0 CGADHO CCO[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902375490 621278470 /nfs/dbraw/zinc/27/84/70/621278470.db2.gz IAXRRQWYZVNASY-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO FC1(F)CCC(CC[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000902455084 621332683 /nfs/dbraw/zinc/33/26/83/621332683.db2.gz ILWGRKSUGPWORV-ZDUSSCGKSA-N 1 3 272.383 3.076 20 0 CGADHO Clc1ccc([C@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)cc1 ZINC000902466891 621339031 /nfs/dbraw/zinc/33/90/31/621339031.db2.gz OLPAMWXNJPSYCF-BTYMGIQYSA-N 1 3 290.838 3.459 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902794475 621451533 /nfs/dbraw/zinc/45/15/33/621451533.db2.gz WMRBEUQWKIQIOD-PMPSAXMXSA-N 1 3 264.457 3.275 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1CCCC1(C)C)c1cccnc1 ZINC000903382734 621723537 /nfs/dbraw/zinc/72/35/37/621723537.db2.gz HLORUCKSDNRDGC-HOTGVXAUSA-N 1 3 275.440 3.243 20 0 CGADHO CCC1([NH3+])CCN(C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000903946104 621839865 /nfs/dbraw/zinc/83/98/65/621839865.db2.gz KASZNQQFUBYLMA-CYBMUJFWSA-N 1 3 264.388 3.133 20 0 CGADHO CC[C@H](OCCNC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904376084 621916724 /nfs/dbraw/zinc/91/67/24/621916724.db2.gz LXILQHFJFYUTOB-ROUUACIJSA-N 1 3 290.451 3.134 20 0 CGADHO C[C@@]1(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCC[NH2+]C1 ZINC000904385704 621917516 /nfs/dbraw/zinc/91/75/16/621917516.db2.gz CBHDXQLRRJMATN-MJBXVCDLSA-N 1 3 290.373 3.041 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000068635341 624743573 /nfs/dbraw/zinc/74/35/73/624743573.db2.gz BPUHOCPUJJFOBE-HSBZDZAISA-N 1 3 292.389 3.427 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)N1CCCCC1 ZINC000921989502 625954027 /nfs/dbraw/zinc/95/40/27/625954027.db2.gz FPEVXBYYRLUDCO-BRSBDYLESA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522296 626161055 /nfs/dbraw/zinc/16/10/55/626161055.db2.gz RTLOJUVPKQTYCT-KWCYVHTRSA-N 1 3 298.352 3.308 20 0 CGADHO COc1cc(C)c([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000753665387 626461330 /nfs/dbraw/zinc/46/13/30/626461330.db2.gz OAHWYMJUARVJOW-HZPDHXFCSA-N 1 3 290.451 3.304 20 0 CGADHO COc1cc(C)c([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000753665387 626461332 /nfs/dbraw/zinc/46/13/32/626461332.db2.gz OAHWYMJUARVJOW-HZPDHXFCSA-N 1 3 290.451 3.304 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000776252791 628184443 /nfs/dbraw/zinc/18/44/43/628184443.db2.gz ZAMAPOHTCOAKJU-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO COc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC000782160028 628618704 /nfs/dbraw/zinc/61/87/04/628618704.db2.gz GKEOCJXKDVVACP-UHFFFAOYSA-N 1 3 290.451 3.214 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCC=CO3)CC2)C1 ZINC000783307468 628701840 /nfs/dbraw/zinc/70/18/40/628701840.db2.gz IZISCNIZNQVJNY-NJAFHUGGSA-N 1 3 292.467 3.312 20 0 CGADHO Cc1nc(C)c(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000862283743 629338390 /nfs/dbraw/zinc/33/83/90/629338390.db2.gz PYHDVLSLCAPTSN-UHFFFAOYSA-N 1 3 291.439 3.178 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796832062 629843572 /nfs/dbraw/zinc/84/35/72/629843572.db2.gz LTDCHKGEJJMERX-JQHSSLGASA-N 1 3 272.436 3.266 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000796832062 629843575 /nfs/dbraw/zinc/84/35/75/629843575.db2.gz LTDCHKGEJJMERX-JQHSSLGASA-N 1 3 272.436 3.266 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000811811369 631122414 /nfs/dbraw/zinc/12/24/14/631122414.db2.gz AREXSIBFECJTLC-OLZOCXBDSA-N 1 3 297.402 3.281 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000811811369 631122417 /nfs/dbraw/zinc/12/24/17/631122417.db2.gz AREXSIBFECJTLC-OLZOCXBDSA-N 1 3 297.402 3.281 20 0 CGADHO NCCC[N@H+](CCc1cccs1)CC1CCCC1 ZINC000843384909 635656437 /nfs/dbraw/zinc/65/64/37/635656437.db2.gz HNGVUNSYCFZEDI-UHFFFAOYSA-N 1 3 266.454 3.132 20 0 CGADHO NCCC[N@@H+](CCc1cccs1)CC1CCCC1 ZINC000843384909 635656443 /nfs/dbraw/zinc/65/64/43/635656443.db2.gz HNGVUNSYCFZEDI-UHFFFAOYSA-N 1 3 266.454 3.132 20 0 CGADHO CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817892033 632228812 /nfs/dbraw/zinc/22/88/12/632228812.db2.gz JBOAUNRDQPAHIO-CHWSQXEVSA-N 1 3 263.429 3.468 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000817893899 632230839 /nfs/dbraw/zinc/23/08/39/632230839.db2.gz HQJRBVRDMQFSSK-VXGBXAGGSA-N 1 3 263.429 3.182 20 0 CGADHO COc1cc(C)ccc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817949614 632245329 /nfs/dbraw/zinc/24/53/29/632245329.db2.gz SIQMFEHGINXNEM-HNNXBMFYSA-N 1 3 298.430 3.356 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccnc(Cl)c1 ZINC000817949256 632245924 /nfs/dbraw/zinc/24/59/24/632245924.db2.gz OVMCMFKQPAWPIL-LBPRGKRZSA-N 1 3 289.810 3.087 20 0 CGADHO Cc1ccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)c(C)n1 ZINC000817949635 632246772 /nfs/dbraw/zinc/24/67/72/632246772.db2.gz SQKXOVNKYVELIO-CQSZACIVSA-N 1 3 283.419 3.050 20 0 CGADHO Fc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000866229218 633036083 /nfs/dbraw/zinc/03/60/83/633036083.db2.gz ONBPDMFJWVYMHM-SCLBCKFNSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1cccc2c1CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866229218 633036089 /nfs/dbraw/zinc/03/60/89/633036089.db2.gz ONBPDMFJWVYMHM-SCLBCKFNSA-N 1 3 288.410 3.277 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3c(F)cccc32)C1 ZINC000866262846 633050458 /nfs/dbraw/zinc/05/04/58/633050458.db2.gz HKAJPKLJSQTWPX-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3c(F)cccc32)C1 ZINC000866262846 633050460 /nfs/dbraw/zinc/05/04/60/633050460.db2.gz HKAJPKLJSQTWPX-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H](CCc1cccnc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000866347102 633091641 /nfs/dbraw/zinc/09/16/41/633091641.db2.gz PWSVZUXSVUCFAE-INIZCTEOSA-N 1 3 289.467 3.114 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(CCCCC(F)(F)F)C1 ZINC000866708997 633235401 /nfs/dbraw/zinc/23/54/01/633235401.db2.gz UJAUQRDHZYHRQS-ZDUSSCGKSA-N 1 3 280.378 3.416 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc(O)ccc1F ZINC000872067447 633989839 /nfs/dbraw/zinc/98/98/39/633989839.db2.gz QQLJYKKXZXZXDE-GFCCVEGCSA-N 1 3 292.398 3.056 20 0 CGADHO CC1([NH+]2CCCCC2)CCN(C2CCCC2)CC1 ZINC000872102642 634023561 /nfs/dbraw/zinc/02/35/61/634023561.db2.gz RZAKSLBKUHXESQ-UHFFFAOYSA-N 1 3 250.430 3.269 20 0 CGADHO Cc1ccsc1C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000873223451 634291172 /nfs/dbraw/zinc/29/11/72/634291172.db2.gz NPXJSIYWFBMHEN-OAHLLOKOSA-N 1 3 266.454 3.253 20 0 CGADHO Cc1ccsc1C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000873223451 634291174 /nfs/dbraw/zinc/29/11/74/634291174.db2.gz NPXJSIYWFBMHEN-OAHLLOKOSA-N 1 3 266.454 3.253 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)s1 ZINC000873224289 634291754 /nfs/dbraw/zinc/29/17/54/634291754.db2.gz ZVPINQXZIWXEMS-OAHLLOKOSA-N 1 3 266.454 3.253 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)s1 ZINC000873224289 634291760 /nfs/dbraw/zinc/29/17/60/634291760.db2.gz ZVPINQXZIWXEMS-OAHLLOKOSA-N 1 3 266.454 3.253 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878166930 635391053 /nfs/dbraw/zinc/39/10/53/635391053.db2.gz KCFSVWVFZGXKLP-AWEZNQCLSA-N 1 3 272.502 3.182 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878166930 635391055 /nfs/dbraw/zinc/39/10/55/635391055.db2.gz KCFSVWVFZGXKLP-AWEZNQCLSA-N 1 3 272.502 3.182 20 0 CGADHO CN(Cc1cscc1Cl)C1CCC([NH3+])CC1 ZINC000843056105 635553181 /nfs/dbraw/zinc/55/31/81/635553181.db2.gz ZHPOLQXMPGKIAH-UHFFFAOYSA-N 1 3 258.818 3.103 20 0 CGADHO Cc1cccc(C[NH+]2CCC(C)(N3CCC3)CC2)c1 ZINC000880471415 636007132 /nfs/dbraw/zinc/00/71/32/636007132.db2.gz VGTHIULYVGHUME-UHFFFAOYSA-N 1 3 258.409 3.055 20 0 CGADHO CC[C@@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)N1CCCC1 ZINC000849060787 636736282 /nfs/dbraw/zinc/73/62/82/636736282.db2.gz QBQIUSZJWKVHDB-CVEARBPZSA-N 1 3 296.503 3.190 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1CN ZINC000883433640 636753403 /nfs/dbraw/zinc/75/34/03/636753403.db2.gz VNYAAMNNIGRCGW-XJFOESAGSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1CN ZINC000883433640 636753408 /nfs/dbraw/zinc/75/34/08/636753408.db2.gz VNYAAMNNIGRCGW-XJFOESAGSA-N 1 3 274.399 3.117 20 0 CGADHO CCCN1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885902932 637309526 /nfs/dbraw/zinc/30/95/26/637309526.db2.gz CNWDFAAAZCKHBI-XQRVVYSFSA-N 1 3 276.399 3.303 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000885969159 637338091 /nfs/dbraw/zinc/33/80/91/637338091.db2.gz LQNKEYSUUWGZME-IXDOHACOSA-N 1 3 282.472 3.044 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925503901 638513350 /nfs/dbraw/zinc/51/33/50/638513350.db2.gz KWKVMVYLHDKNOU-ZSAUSMIDSA-N 1 3 282.497 3.027 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925616057 638545003 /nfs/dbraw/zinc/54/50/03/638545003.db2.gz QAXPNHSMLJITSJ-MQYQWHSLSA-N 1 3 296.480 3.056 20 0 CGADHO Cc1occc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925610390 638545438 /nfs/dbraw/zinc/54/54/38/638545438.db2.gz BHUQNWQRWLUFPF-INIZCTEOSA-N 1 3 258.365 3.158 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925653910 638558178 /nfs/dbraw/zinc/55/81/78/638558178.db2.gz CARIBLFMEMZQFX-SBLOQVJPSA-N 1 3 288.410 3.190 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925704184 638571971 /nfs/dbraw/zinc/57/19/71/638571971.db2.gz CAGHHYUCODHRHX-CEXWTWQISA-N 1 3 299.462 3.014 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cc2cnccc2o1 ZINC000925731015 638586345 /nfs/dbraw/zinc/58/63/45/638586345.db2.gz ZHLPZPAYFFBMMG-FPMFFAJLSA-N 1 3 287.407 3.384 20 0 CGADHO Cc1cc([C@@H](NCCC(C)(C)[NH3+])C2CC2)ccc1F ZINC000925742075 638593548 /nfs/dbraw/zinc/59/35/48/638593548.db2.gz OWPIGCXDXAHNDM-HNNXBMFYSA-N 1 3 264.388 3.302 20 0 CGADHO C(C[C@@H]1C[C@H]1C1CC1)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925803312 638618094 /nfs/dbraw/zinc/61/80/94/638618094.db2.gz XGCNDSOCHFFYAP-XMTFNYHQSA-N 1 3 276.468 3.181 20 0 CGADHO COc1ccc2ccccc2c1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000925833852 638626763 /nfs/dbraw/zinc/62/67/63/638626763.db2.gz KWDKHLDSLORJDQ-QAPCUYQASA-N 1 3 298.430 3.108 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCSC(C)C)CC1 ZINC000926419556 638769816 /nfs/dbraw/zinc/76/98/16/638769816.db2.gz BGTOLHDMXUTUJK-UHFFFAOYSA-N 1 3 272.502 3.228 20 0 CGADHO CC(C)CC[NH+]1CCC(NCCSC(C)C)CC1 ZINC000926419556 638769817 /nfs/dbraw/zinc/76/98/17/638769817.db2.gz BGTOLHDMXUTUJK-UHFFFAOYSA-N 1 3 272.502 3.228 20 0 CGADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCC(C)(C)O1 ZINC000859213031 639110523 /nfs/dbraw/zinc/11/05/23/639110523.db2.gz QKLWCMYMSYGWOI-KRWDZBQOSA-N 1 3 290.451 3.138 20 0 CGADHO C[C@@H]1C[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000931466650 639156012 /nfs/dbraw/zinc/15/60/12/639156012.db2.gz XBYDDWXETMQUKZ-FVQHAEBGSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)CN1CCCC1 ZINC000094372475 640796015 /nfs/dbraw/zinc/79/60/15/640796015.db2.gz OEBIZUQPOCXGAY-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO [NH3+]C1(c2ccc(F)cc2)CCN(C2CCCC2)CC1 ZINC001257346734 807117716 /nfs/dbraw/zinc/11/77/16/807117716.db2.gz UTPUQXJJQJHETI-UHFFFAOYSA-N 1 3 262.372 3.018 20 0 CGADHO Cc1cnc2ccccc2c1NC1CC[NH+](CC2CC2)CC1 ZINC001252956911 806141521 /nfs/dbraw/zinc/14/15/21/806141521.db2.gz RRUOGUOELIDAIG-UHFFFAOYSA-N 1 3 295.430 3.251 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@H]2CCCc3c(F)cccc32)CC1 ZINC001254507575 806428851 /nfs/dbraw/zinc/42/88/51/806428851.db2.gz CJOPVQDBJKSPGC-DYVFJYSZSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@H]2CCCc3c(F)cccc32)CC1 ZINC001254507575 806428856 /nfs/dbraw/zinc/42/88/56/806428856.db2.gz CJOPVQDBJKSPGC-DYVFJYSZSA-N 1 3 276.399 3.277 20 0 CGADHO COc1cccc(C(C)(C)N[C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254510016 806430549 /nfs/dbraw/zinc/43/05/49/806430549.db2.gz LHPKMXWENTZDKJ-OAHLLOKOSA-N 1 3 276.424 3.004 20 0 CGADHO COc1cccc(C(C)(C)N[C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254510016 806430560 /nfs/dbraw/zinc/43/05/60/806430560.db2.gz LHPKMXWENTZDKJ-OAHLLOKOSA-N 1 3 276.424 3.004 20 0 CGADHO Cc1nc(C)c(CNCc2cccc(C[NH+](C)C)c2)s1 ZINC000076865771 798926287 /nfs/dbraw/zinc/92/62/87/798926287.db2.gz WOGUKSBVJONSME-UHFFFAOYSA-N 1 3 289.448 3.111 20 0 CGADHO CCC[N@H+](CCCN)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689278 806706745 /nfs/dbraw/zinc/70/67/45/806706745.db2.gz IXUGJOZZBUMLJB-VXGBXAGGSA-N 1 3 266.351 3.168 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255689278 806706748 /nfs/dbraw/zinc/70/67/48/806706748.db2.gz IXUGJOZZBUMLJB-VXGBXAGGSA-N 1 3 266.351 3.168 20 0 CGADHO CN(C)C1CC[NH+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001255708714 806713239 /nfs/dbraw/zinc/71/32/39/806713239.db2.gz NPEYNKCXXKEQOB-AAEUAGOBSA-N 1 3 278.362 3.134 20 0 CGADHO CCCC1CCC([N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC000381510329 799382213 /nfs/dbraw/zinc/38/22/13/799382213.db2.gz OLRBQTFDQAKXQO-HWOWSKLDSA-N 1 3 252.446 3.406 20 0 CGADHO CCCC1CCC([N@H+]2CCCC[C@H](CN)C2)CC1 ZINC000381510329 799382223 /nfs/dbraw/zinc/38/22/23/799382223.db2.gz OLRBQTFDQAKXQO-HWOWSKLDSA-N 1 3 252.446 3.406 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC001255772726 806745036 /nfs/dbraw/zinc/74/50/36/806745036.db2.gz PYYGXUAOEBHYQP-INIZCTEOSA-N 1 3 260.425 3.002 20 0 CGADHO c1c(C[NH+](CC2CC2)CC2CC2)sc2c1CNCC2 ZINC000687987443 799743343 /nfs/dbraw/zinc/74/33/43/799743343.db2.gz NPCGAJDNWVVMSF-UHFFFAOYSA-N 1 3 276.449 3.016 20 0 CGADHO CC(C)(C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C(C)(F)F ZINC000696597145 799841841 /nfs/dbraw/zinc/84/18/41/799841841.db2.gz JLDYSWVXJPBHNK-OLZOCXBDSA-N 1 3 268.351 3.402 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC001255943546 806790849 /nfs/dbraw/zinc/79/08/49/806790849.db2.gz NXMHLTQKVMZHFZ-KRWDZBQOSA-N 1 3 291.483 3.223 20 0 CGADHO CCOC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H](C)CCN(CC)CC)C2 ZINC001255961616 806799396 /nfs/dbraw/zinc/79/93/96/806799396.db2.gz XCTKSKWTKUCGMO-KSZLIROESA-N 1 3 296.499 3.245 20 0 CGADHO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)CCN(CC)CC)C2 ZINC001255961616 806799401 /nfs/dbraw/zinc/79/94/01/806799401.db2.gz XCTKSKWTKUCGMO-KSZLIROESA-N 1 3 296.499 3.245 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N1CCCC2(CCC2)C1 ZINC001255970322 806801421 /nfs/dbraw/zinc/80/14/21/806801421.db2.gz CFAWWRMRWLKQGL-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCCC2(CCC2)C1 ZINC001255970322 806801427 /nfs/dbraw/zinc/80/14/27/806801427.db2.gz CFAWWRMRWLKQGL-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC001255970322 806801432 /nfs/dbraw/zinc/80/14/32/806801432.db2.gz CFAWWRMRWLKQGL-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@H](NC1CCC(C)([NH+](C)C)CC1)c1nccs1 ZINC000715526564 800137541 /nfs/dbraw/zinc/13/75/41/800137541.db2.gz IEJFJEITZCZNHT-DCBWTQNWSA-N 1 3 267.442 3.057 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCN1C ZINC000822123882 800459868 /nfs/dbraw/zinc/45/98/68/800459868.db2.gz GURIPYNJWOZIJQ-SJORKVTESA-N 1 3 260.425 3.082 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCOCc2ccccc2)CC1 ZINC001256558200 806914252 /nfs/dbraw/zinc/91/42/52/806914252.db2.gz KEZSOSZYOKTHIR-UHFFFAOYSA-N 1 3 290.451 3.056 20 0 CGADHO COc1ccc(C[N@H+](C)C2CCN(C(C)(C)C)CC2)cc1 ZINC001256569838 806918789 /nfs/dbraw/zinc/91/87/89/806918789.db2.gz QBGHMBKSECVXOT-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO COc1ccc(C[N@@H+](C)C2CCN(C(C)(C)C)CC2)cc1 ZINC001256569838 806918796 /nfs/dbraw/zinc/91/87/96/806918796.db2.gz QBGHMBKSECVXOT-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256572868 806918844 /nfs/dbraw/zinc/91/88/44/806918844.db2.gz ZLTSIZHOKUQOQD-KRWDZBQOSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256572868 806918851 /nfs/dbraw/zinc/91/88/51/806918851.db2.gz ZLTSIZHOKUQOQD-KRWDZBQOSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256572403 806919401 /nfs/dbraw/zinc/91/94/01/806919401.db2.gz RAMRRYYCZMEFPT-KRWDZBQOSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256572403 806919404 /nfs/dbraw/zinc/91/94/04/806919404.db2.gz RAMRRYYCZMEFPT-KRWDZBQOSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)CC(C)(C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682736 806947530 /nfs/dbraw/zinc/94/75/30/806947530.db2.gz OGYQRBOFWOYBJJ-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256782016 806976060 /nfs/dbraw/zinc/97/60/60/806976060.db2.gz KEGBSPKFQLUHGN-MSOLQXFVSA-N 1 3 290.451 3.228 20 0 CGADHO CSc1ccccc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205280690 812928873 /nfs/dbraw/zinc/92/88/73/812928873.db2.gz FZWKOKPTMGJKLJ-OAHLLOKOSA-N 1 3 264.438 3.112 20 0 CGADHO CCN(Cc1[nH]c2ccccc2c1C)C1CC[NH+](C)CC1 ZINC001138403172 803918998 /nfs/dbraw/zinc/91/89/98/803918998.db2.gz KPKBSCZSEWDUNB-UHFFFAOYSA-N 1 3 285.435 3.392 20 0 CGADHO CCCOc1ccccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001138998823 804102468 /nfs/dbraw/zinc/10/24/68/804102468.db2.gz QKDNHTZBCKTLFD-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO Fc1ccccc1CCN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246074338 804111883 /nfs/dbraw/zinc/11/18/83/804111883.db2.gz OVXFZMRAJNYIMU-MRXNPFEDSA-N 1 3 290.426 3.413 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246074318 804112285 /nfs/dbraw/zinc/11/22/85/804112285.db2.gz CPTQPAQJTGNBOW-MLGOLLRUSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C1CCNCC1 ZINC001246077683 804115886 /nfs/dbraw/zinc/11/58/86/804115886.db2.gz JQDRJXKHUKMUDM-ZDUSSCGKSA-N 1 3 296.480 3.412 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246107082 804140028 /nfs/dbraw/zinc/14/00/28/804140028.db2.gz YXSCIWZTYPZVIO-IHRRRGAJSA-N 1 3 296.455 3.142 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107392 804140654 /nfs/dbraw/zinc/14/06/54/804140654.db2.gz AWNVFEPWPPCSNH-GVDBMIGSSA-N 1 3 258.409 3.054 20 0 CGADHO CCCCCC[C@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246115670 804147647 /nfs/dbraw/zinc/14/76/47/804147647.db2.gz RYKJVGKWYSEIQN-LSDHHAIUSA-N 1 3 258.425 3.417 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246117245 804149691 /nfs/dbraw/zinc/14/96/91/804149691.db2.gz YIYNUCDGJUVXPC-MJBXVCDLSA-N 1 3 296.455 3.142 20 0 CGADHO Cc1ccc(SC[C@@H](C)NC[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246118570 804151252 /nfs/dbraw/zinc/15/12/52/804151252.db2.gz SFBCRDMVOUAFRI-HZPDHXFCSA-N 1 3 292.492 3.455 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@H](C(C)C)C2)c(C)c1 ZINC001246158480 804173493 /nfs/dbraw/zinc/17/34/93/804173493.db2.gz KBFSBYGQAGYJMO-ROUUACIJSA-N 1 3 274.452 3.212 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](NC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001246167092 804183191 /nfs/dbraw/zinc/18/31/91/804183191.db2.gz CLJVUHCKSADBCU-FGTMMUONSA-N 1 3 272.436 3.445 20 0 CGADHO CCC[C@H](Cc1ccccc1)NC[C@@H]1CCCC[NH2+]1 ZINC001246169392 804184196 /nfs/dbraw/zinc/18/41/96/804184196.db2.gz NGIFKKJOSLNDIQ-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246172693 804187882 /nfs/dbraw/zinc/18/78/82/804187882.db2.gz DLIGTYWZDLRDNQ-HZPDHXFCSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246179273 804193343 /nfs/dbraw/zinc/19/33/43/804193343.db2.gz LMBQPZOGKCOCSP-SLWVXZIISA-N 1 3 262.441 3.075 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(Cl)cc2)CCN1 ZINC001246180904 804193544 /nfs/dbraw/zinc/19/35/44/804193544.db2.gz SNGLTPKHZJEAKL-IUODEOHRSA-N 1 3 280.843 3.391 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246179270 804193765 /nfs/dbraw/zinc/19/37/65/804193765.db2.gz LMBQPZOGKCOCSP-KWXFLVIGSA-N 1 3 262.441 3.075 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246224297 804218878 /nfs/dbraw/zinc/21/88/78/804218878.db2.gz VYONIEUTQSJPTD-AJNGGQMLSA-N 1 3 258.425 3.129 20 0 CGADHO CC(C)(C)C1CCC([NH2+]C[C@@H]2CNCC[C@H]2F)CC1 ZINC001246220537 804215512 /nfs/dbraw/zinc/21/55/12/804215512.db2.gz GEYSTZBJIYTXFY-VXGQWTEUSA-N 1 3 270.436 3.129 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001246229882 804222089 /nfs/dbraw/zinc/22/20/89/804222089.db2.gz MQNDAYWVJHSERB-TUAOUCFPSA-N 1 3 284.806 3.270 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3c2)CCN1 ZINC001246230882 804223631 /nfs/dbraw/zinc/22/36/31/804223631.db2.gz AHLQCHYRGJECCW-KSSFIOAISA-N 1 3 268.404 3.112 20 0 CGADHO C[C@H]1C[C@@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246230882 804223638 /nfs/dbraw/zinc/22/36/38/804223638.db2.gz AHLQCHYRGJECCW-KSSFIOAISA-N 1 3 268.404 3.112 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CCN1 ZINC001246239184 804229868 /nfs/dbraw/zinc/22/98/68/804229868.db2.gz HLMSBQVJBSDTMA-AJNGGQMLSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCCCCC2)CCN1 ZINC001246238605 804230287 /nfs/dbraw/zinc/23/02/87/804230287.db2.gz QKTCXXCPKPEJES-GDBMZVCRSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC(C)(C)CN ZINC001246242975 804234620 /nfs/dbraw/zinc/23/46/20/804234620.db2.gz FZGMBHOPGWQNCU-JTQLQIEISA-N 1 3 289.250 3.499 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C(C)(C)C)C1)C1CCCC1 ZINC001246244868 804235398 /nfs/dbraw/zinc/23/53/98/804235398.db2.gz PQCOCPRPBJJXDL-QEJZJMRPSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CCN1 ZINC001246251661 804237940 /nfs/dbraw/zinc/23/79/40/804237940.db2.gz RVMBQRIYZVFGIW-YJNKXOJESA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)C[C@@H](C)N1 ZINC001246259072 804242051 /nfs/dbraw/zinc/24/20/51/804242051.db2.gz YXSKZBNAQUEGDS-XPLWTBFPSA-N 1 3 264.457 3.464 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246266496 804245451 /nfs/dbraw/zinc/24/54/51/804245451.db2.gz GQJAIVAJCYMUET-MWDXBVQZSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CCC[C@@H]1[NH3+] ZINC001246283087 804258342 /nfs/dbraw/zinc/25/83/42/804258342.db2.gz ZCHHYCOJIRBSAW-IIMNLJJBSA-N 1 3 287.234 3.394 20 0 CGADHO C[C@@H]1C[C@H](N[C@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246287011 804260495 /nfs/dbraw/zinc/26/04/95/804260495.db2.gz JONHIMVEJFGELH-KBRIMQKVSA-N 1 3 258.409 3.258 20 0 CGADHO C[C@H](CCN)[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246301383 804267492 /nfs/dbraw/zinc/26/74/92/804267492.db2.gz SMRVBTLUVDPKMF-VHSXEESVSA-N 1 3 290.785 3.266 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1Cl ZINC001246307013 804270035 /nfs/dbraw/zinc/27/00/35/804270035.db2.gz CMNUBCMZMXLWIB-BXUZGUMPSA-N 1 3 286.822 3.373 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246306072 804270190 /nfs/dbraw/zinc/27/01/90/804270190.db2.gz TXKQTDBNEIKRFT-IKGGRYGDSA-N 1 3 292.854 3.318 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H](C)Cc1ccc(Cl)cc1 ZINC001246306986 804270305 /nfs/dbraw/zinc/27/03/05/804270305.db2.gz CKIXCYPXLMKAKW-IUODEOHRSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@@H](C)Cc1ccccc1Br ZINC001246308848 804271714 /nfs/dbraw/zinc/27/17/14/804271714.db2.gz SHVRVHWYSVTVPA-WCQYABFASA-N 1 3 299.256 3.097 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H](C)Cc1cccc(Cl)c1 ZINC001246310868 804272662 /nfs/dbraw/zinc/27/26/62/804272662.db2.gz OGEIRTNZFPHQIZ-DOMZBBRYSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@@H](C[NH3+])N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320617 804278863 /nfs/dbraw/zinc/27/88/63/804278863.db2.gz ZLTBUDUTMZQUOE-CABZTGNLSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246331855 804285568 /nfs/dbraw/zinc/28/55/68/804285568.db2.gz KAMSBWUWYHPMOE-SUJAAXHWSA-N 1 3 252.446 3.464 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246330855 804286425 /nfs/dbraw/zinc/28/64/25/804286425.db2.gz YPVXFBGYBXALOR-HZPDHXFCSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](C)CN ZINC001246330356 804286646 /nfs/dbraw/zinc/28/66/46/804286646.db2.gz YCXKVNRVNVBLCR-VHSXEESVSA-N 1 3 275.223 3.109 20 0 CGADHO CC[C@@H]1C[C@H](N[C@@H]2CC23CCCC3)C[C@H](CC)[NH2+]1 ZINC001246333627 804288324 /nfs/dbraw/zinc/28/83/24/804288324.db2.gz KVVWRCVAVWFFQD-CBBWQLFWSA-N 1 3 250.430 3.218 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCCCc2ccccc2)CCN1 ZINC001246338645 804293390 /nfs/dbraw/zinc/29/33/90/804293390.db2.gz CDLSLKNRCICERE-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC001246349642 804298842 /nfs/dbraw/zinc/29/88/42/804298842.db2.gz VBIXIZSFJVKFOS-OAHLLOKOSA-N 1 3 287.451 3.420 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246364841 804305872 /nfs/dbraw/zinc/30/58/72/804305872.db2.gz MUAYQSFACWFERN-AEFFLSMTSA-N 1 3 285.435 3.077 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC001246362729 804306234 /nfs/dbraw/zinc/30/62/34/804306234.db2.gz HBVPEOHIRGKTJJ-HNNXBMFYSA-N 1 3 287.451 3.420 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC001246371195 804308296 /nfs/dbraw/zinc/30/82/96/804308296.db2.gz IPDSNFAKOVRATG-HOCLYGCPSA-N 1 3 292.492 3.453 20 0 CGADHO Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)CCCN(C)C ZINC001139883851 804312396 /nfs/dbraw/zinc/31/23/96/804312396.db2.gz KZOWJSMNSPCPTM-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO Cc1ccc(C(F)(F)F)cc1C[N@H+](C)CCCN(C)C ZINC001139883851 804312405 /nfs/dbraw/zinc/31/24/05/804312405.db2.gz KZOWJSMNSPCPTM-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246381336 804313457 /nfs/dbraw/zinc/31/34/57/804313457.db2.gz PFCOPVQQWQXJTP-AWEZNQCLSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246380150 804313595 /nfs/dbraw/zinc/31/35/95/804313595.db2.gz FVRLAJDOHXNUDN-ZFWWWQNUSA-N 1 3 250.430 3.077 20 0 CGADHO CCC(CC)[NH2+]C1(Cc2ccccc2F)CCNCC1 ZINC001246380103 804313875 /nfs/dbraw/zinc/31/38/75/804313875.db2.gz DOQHXSBKOVFBIJ-UHFFFAOYSA-N 1 3 278.415 3.269 20 0 CGADHO C[C@H]1CC([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[C@H](C)N1 ZINC001246385073 804315104 /nfs/dbraw/zinc/31/51/04/804315104.db2.gz BBCVHLPHCKFNGG-KBPBESRZSA-N 1 3 290.426 3.267 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246383841 804316588 /nfs/dbraw/zinc/31/65/88/804316588.db2.gz LPCCXHCSNPHEAM-QZTJIDSGSA-N 1 3 286.463 3.438 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246395530 804320521 /nfs/dbraw/zinc/32/05/21/804320521.db2.gz WXEOUHUVVSBNBT-INIZCTEOSA-N 1 3 290.426 3.269 20 0 CGADHO CCC1([NH2+][C@H]2CCN[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246409865 804323551 /nfs/dbraw/zinc/32/35/51/804323551.db2.gz CUPRQTPETFYOIZ-RYUDHWBXSA-N 1 3 260.372 3.075 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246410760 804323587 /nfs/dbraw/zinc/32/35/87/804323587.db2.gz LRBUPHOKMUKHLY-JKSUJKDBSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430084 804330419 /nfs/dbraw/zinc/33/04/19/804330419.db2.gz FXFVXSLOAKTNLV-CABCVRRESA-N 1 3 264.457 3.323 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CCN1 ZINC001246444985 804334618 /nfs/dbraw/zinc/33/46/18/804334618.db2.gz VXKKRRHCOGGKAS-KPRKPIBOSA-N 1 3 264.457 3.177 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](CC)Cc2ccccc2)CCN1 ZINC001246456645 804338312 /nfs/dbraw/zinc/33/83/12/804338312.db2.gz NPIGDDSKLQEREI-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO CCCC[C@@H](CC)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246461583 804342680 /nfs/dbraw/zinc/34/26/80/804342680.db2.gz MZZFONCUZRJEQF-HZPDHXFCSA-N 1 3 252.446 3.467 20 0 CGADHO CC1(C)CCC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246464367 804344452 /nfs/dbraw/zinc/34/44/52/804344452.db2.gz ZMJZMCAWBLMHLG-NVXWUHKLSA-N 1 3 264.457 3.467 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246467193 804345746 /nfs/dbraw/zinc/34/57/46/804345746.db2.gz SKNQOJKVUIMFDB-WNRNVDISSA-N 1 3 284.447 3.369 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCNCC12CC2 ZINC001246471229 804348510 /nfs/dbraw/zinc/34/85/10/804348510.db2.gz BSMFZGUSYCGSPP-WFASDCNBSA-N 1 3 278.827 3.003 20 0 CGADHO CCCC(CN)(CCC)[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001246494078 804361116 /nfs/dbraw/zinc/36/11/16/804361116.db2.gz CZOAWLAEMUBWFG-MRXNPFEDSA-N 1 3 295.515 3.281 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@H](C3CC3)C3CNC3)C2)cc1 ZINC001246520447 804373286 /nfs/dbraw/zinc/37/32/86/804373286.db2.gz WAFKTXPTJBMLFS-NZSAHSFTSA-N 1 3 284.447 3.300 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N1CCC[C@H]([NH3+])CC1 ZINC001246539065 804389479 /nfs/dbraw/zinc/38/94/79/804389479.db2.gz APGJRCKAYKQNCO-JSGCOSHPSA-N 1 3 282.428 3.120 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](N)CC1 ZINC001246547464 804395607 /nfs/dbraw/zinc/39/56/07/804395607.db2.gz PUYLRFZDPXSDFY-DLBZAZTESA-N 1 3 260.425 3.211 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](N)CC1 ZINC001246547464 804395613 /nfs/dbraw/zinc/39/56/13/804395613.db2.gz PUYLRFZDPXSDFY-DLBZAZTESA-N 1 3 260.425 3.211 20 0 CGADHO [NH3+]C[C@@H]1CN(C2CCC3(CCCC3)CC2)CCC1(F)F ZINC001246555478 804405950 /nfs/dbraw/zinc/40/59/50/804405950.db2.gz GVNCHRGEMKXVOF-CYBMUJFWSA-N 1 3 286.410 3.405 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@H](C)C2)CCN1 ZINC001246571156 804417927 /nfs/dbraw/zinc/41/79/27/804417927.db2.gz HRVVIWHMBZDVJX-JJXSEGSLSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H](C)C2)CCN1 ZINC001246571156 804417929 /nfs/dbraw/zinc/41/79/29/804417929.db2.gz HRVVIWHMBZDVJX-JJXSEGSLSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591945 804434227 /nfs/dbraw/zinc/43/42/27/804434227.db2.gz JYICUDLPVUFBEX-DLBZAZTESA-N 1 3 292.854 3.258 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591945 804434229 /nfs/dbraw/zinc/43/42/29/804434229.db2.gz JYICUDLPVUFBEX-DLBZAZTESA-N 1 3 292.854 3.258 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CC[C@]12CCCNC2 ZINC001246598856 804438932 /nfs/dbraw/zinc/43/89/32/804438932.db2.gz BJLJQMRQRQYZQA-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CC[C@]12CCCNC2 ZINC001246598856 804438933 /nfs/dbraw/zinc/43/89/33/804438933.db2.gz BJLJQMRQRQYZQA-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246609807 804444679 /nfs/dbraw/zinc/44/46/79/804444679.db2.gz NLZHAUWYZBHQQM-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246609807 804444682 /nfs/dbraw/zinc/44/46/82/804444682.db2.gz NLZHAUWYZBHQQM-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C1 ZINC001246610535 804444910 /nfs/dbraw/zinc/44/49/10/804444910.db2.gz BPUVHZFGAOKZQA-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@]3(CCCCN3)C2)C1 ZINC001246610535 804444913 /nfs/dbraw/zinc/44/49/13/804444913.db2.gz BPUVHZFGAOKZQA-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@]3(CCCCN3)C2)C1 ZINC001246610535 804444919 /nfs/dbraw/zinc/44/49/19/804444919.db2.gz BPUVHZFGAOKZQA-OAGGEKHMSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C[C@@H]1C ZINC001246611597 804445664 /nfs/dbraw/zinc/44/56/64/804445664.db2.gz GQTVJNMKWKMXNW-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO CCCCC(CCCC)[N@@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246624605 804457562 /nfs/dbraw/zinc/45/75/62/804457562.db2.gz VMIUGBJNGQVGRW-QGZVFWFLSA-N 1 3 282.472 3.190 20 0 CGADHO CCCCC(CCCC)[N@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246624605 804457565 /nfs/dbraw/zinc/45/75/65/804457565.db2.gz VMIUGBJNGQVGRW-QGZVFWFLSA-N 1 3 282.472 3.190 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3CCC4(CNC4)C3)CC2)cc1 ZINC001246628091 804459126 /nfs/dbraw/zinc/45/91/26/804459126.db2.gz AICATHONSGJFKZ-UHFFFAOYSA-N 1 3 284.447 3.083 20 0 CGADHO c1ccc(CC2CCC([N@H+]3CCC4(CNC4)C3)CC2)cc1 ZINC001246628091 804459127 /nfs/dbraw/zinc/45/91/27/804459127.db2.gz AICATHONSGJFKZ-UHFFFAOYSA-N 1 3 284.447 3.083 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629700 804460527 /nfs/dbraw/zinc/46/05/27/804460527.db2.gz HHYSBLJPTOHVCY-IRXDYDNUSA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629700 804460530 /nfs/dbraw/zinc/46/05/30/804460530.db2.gz HHYSBLJPTOHVCY-IRXDYDNUSA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N3CC[C@H]4[NH2+]C[C@H]4C3)C2)cc1 ZINC001246631870 804463014 /nfs/dbraw/zinc/46/30/14/804463014.db2.gz UALHDKOMPQBZKS-VSZNYVQBSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631870 804463016 /nfs/dbraw/zinc/46/30/16/804463016.db2.gz UALHDKOMPQBZKS-VSZNYVQBSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CC[C@H]4NC[C@H]4C3)C2)cc1 ZINC001246631870 804463018 /nfs/dbraw/zinc/46/30/18/804463018.db2.gz UALHDKOMPQBZKS-VSZNYVQBSA-N 1 3 270.420 3.007 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642430 804468947 /nfs/dbraw/zinc/46/89/47/804468947.db2.gz WNVRLBHAZBOSMB-IRXDYDNUSA-N 1 3 282.472 3.047 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642430 804468949 /nfs/dbraw/zinc/46/89/49/804468949.db2.gz WNVRLBHAZBOSMB-IRXDYDNUSA-N 1 3 282.472 3.047 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643713 804470858 /nfs/dbraw/zinc/47/08/58/804470858.db2.gz CPQFDSYGUNMSDN-VSZNYVQBSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc2c(c1)CCC21CCC(N2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246648103 804475318 /nfs/dbraw/zinc/47/53/18/804475318.db2.gz OKSWSIMFBRQEPD-AILXTGBUSA-N 1 3 296.458 3.107 20 0 CGADHO C[C@H]1CC([NH+]2CCC3(CCc4ccccc43)CC2)C[C@H](C)N1 ZINC001246648385 804475887 /nfs/dbraw/zinc/47/58/87/804475887.db2.gz XCFHLUPBJZMYDF-HOTGVXAUSA-N 1 3 298.474 3.495 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@]13CCCNC3)CC2 ZINC001246649531 804476636 /nfs/dbraw/zinc/47/66/36/804476636.db2.gz CMFDEMJOTVVZLQ-PMACEKPBSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@]13CCCNC3)CC2 ZINC001246649531 804476639 /nfs/dbraw/zinc/47/66/39/804476639.db2.gz CMFDEMJOTVVZLQ-PMACEKPBSA-N 1 3 298.474 3.460 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[N@@H+]1CCCC12CCNCC2 ZINC001246648830 804476710 /nfs/dbraw/zinc/47/67/10/804476710.db2.gz ZWXHDSZCMFCWFX-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[N@H+]1CCCC12CCNCC2 ZINC001246648830 804476712 /nfs/dbraw/zinc/47/67/12/804476712.db2.gz ZWXHDSZCMFCWFX-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](CC(C)C)N1CCC[C@]12CC[NH2+]C2 ZINC001246650265 804478456 /nfs/dbraw/zinc/47/84/56/804478456.db2.gz SHEDVBAKNQTFLE-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1CC[C@H]([N@@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654535 804481141 /nfs/dbraw/zinc/48/11/41/804481141.db2.gz WKLMQICMZDCVRQ-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@H]([N@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246654535 804481144 /nfs/dbraw/zinc/48/11/44/804481144.db2.gz WKLMQICMZDCVRQ-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCCC[C@]23CCC[NH2+]C3)C1 ZINC001246654535 804481148 /nfs/dbraw/zinc/48/11/48/804481148.db2.gz WKLMQICMZDCVRQ-OWCLPIDISA-N 1 3 250.430 3.173 20 0 CGADHO C1[C@H]2CC[NH2+]C[C@H]2N1[C@H]1CCCC2(CCCCC2)C1 ZINC001246664118 804486401 /nfs/dbraw/zinc/48/64/01/804486401.db2.gz OLONGJLYHMQICY-OWCLPIDISA-N 1 3 262.441 3.173 20 0 CGADHO CCCCCC[C@@H](CCCC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665966 804487197 /nfs/dbraw/zinc/48/71/97/804487197.db2.gz VMROXUMCHYXIES-LVQVYYBASA-N 1 3 252.446 3.405 20 0 CGADHO CCCCCC[C@@H](CCCC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665966 804487201 /nfs/dbraw/zinc/48/72/01/804487201.db2.gz VMROXUMCHYXIES-LVQVYYBASA-N 1 3 252.446 3.405 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC2(CCc3ccc(C)cc32)CC1 ZINC001246745103 804500680 /nfs/dbraw/zinc/50/06/80/804500680.db2.gz DXFTZJPCCDFJMK-MRXNPFEDSA-N 1 3 286.463 3.273 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCC[C@@H](c3ccccc3)C2)C[C@@H](C)N1 ZINC001246779246 804505747 /nfs/dbraw/zinc/50/57/47/804505747.db2.gz QXCSGBRPHFSCTL-BFYDXBDKSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H]1CC([N@H+]2CCC[C@@H](c3ccccc3)C2)C[C@@H](C)N1 ZINC001246779246 804505752 /nfs/dbraw/zinc/50/57/52/804505752.db2.gz QXCSGBRPHFSCTL-BFYDXBDKSA-N 1 3 272.436 3.395 20 0 CGADHO NC[C@H]1CCC[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246779840 804507747 /nfs/dbraw/zinc/50/77/47/804507747.db2.gz JGFXOSZTIXDUJC-PPDQVPDSSA-N 1 3 298.474 3.484 20 0 CGADHO NC[C@H]1CCC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246779840 804507751 /nfs/dbraw/zinc/50/77/51/804507751.db2.gz JGFXOSZTIXDUJC-PPDQVPDSSA-N 1 3 298.474 3.484 20 0 CGADHO C[N@H+](C1CCCC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246801105 804522103 /nfs/dbraw/zinc/52/21/03/804522103.db2.gz ZGTPNCHLZAVSSF-HNNXBMFYSA-N 1 3 250.430 3.316 20 0 CGADHO C[N@@H+](C1CCCC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246801105 804522107 /nfs/dbraw/zinc/52/21/07/804522107.db2.gz ZGTPNCHLZAVSSF-HNNXBMFYSA-N 1 3 250.430 3.316 20 0 CGADHO CCCCCC[C@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246838444 804546327 /nfs/dbraw/zinc/54/63/27/804546327.db2.gz XWFHYRNZTIECIG-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCCC[C@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246838444 804546334 /nfs/dbraw/zinc/54/63/34/804546334.db2.gz XWFHYRNZTIECIG-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO C[N@H+](CC1CCCC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246840712 804549742 /nfs/dbraw/zinc/54/97/42/804549742.db2.gz JKFHBBFUZAKUJX-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[N@@H+](CC1CCCC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246840712 804549744 /nfs/dbraw/zinc/54/97/44/804549744.db2.gz JKFHBBFUZAKUJX-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@H]2CCN)cc1 ZINC001246844107 804551690 /nfs/dbraw/zinc/55/16/90/804551690.db2.gz GVHJVURVPBXBEK-WBVHZDCISA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H]2CCN)cc1 ZINC001246844107 804551693 /nfs/dbraw/zinc/55/16/93/804551693.db2.gz GVHJVURVPBXBEK-WBVHZDCISA-N 1 3 260.425 3.129 20 0 CGADHO CC[C@@H]1CC([NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H](CC)N1 ZINC001246843399 804551993 /nfs/dbraw/zinc/55/19/93/804551993.db2.gz WALPZKQSMSITMD-KBUPBQIOSA-N 1 3 252.446 3.274 20 0 CGADHO c1ccc(CC2CCC([N@H+]3C[C@H]4CNCC[C@@H]4C3)CC2)cc1 ZINC001246847161 804556643 /nfs/dbraw/zinc/55/66/43/804556643.db2.gz QDKGFHLUCJPHBL-WBFXSEPVSA-N 1 3 298.474 3.329 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3C[C@H]4CNCC[C@@H]4C3)CC2)cc1 ZINC001246847161 804556647 /nfs/dbraw/zinc/55/66/47/804556647.db2.gz QDKGFHLUCJPHBL-WBFXSEPVSA-N 1 3 298.474 3.329 20 0 CGADHO C[C@@H]1C[C@H](n2c3ccccc3nc2[C@@H]2CCCCN2)CC[NH2+]1 ZINC001246847769 804558769 /nfs/dbraw/zinc/55/87/69/804558769.db2.gz MORCPVFQZSWSIV-FMKPAKJESA-N 1 3 298.434 3.164 20 0 CGADHO CC[C@H]1c2ccccc2CCN1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246861325 804565322 /nfs/dbraw/zinc/56/53/22/804565322.db2.gz AVQCRVNMAGUEID-LHHMISFZSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1CN([C@@H]2CCC[NH2+]CC2)CCc2ccc(Cl)cc21 ZINC001246871328 804573243 /nfs/dbraw/zinc/57/32/43/804573243.db2.gz QBPRBLIBSGZQRK-XJKSGUPXSA-N 1 3 292.854 3.444 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901357 804588752 /nfs/dbraw/zinc/58/87/52/804588752.db2.gz MNDHCVIKQISGAR-LBTNJELSSA-N 1 3 283.419 3.445 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901357 804588756 /nfs/dbraw/zinc/58/87/56/804588756.db2.gz MNDHCVIKQISGAR-LBTNJELSSA-N 1 3 283.419 3.445 20 0 CGADHO CC[N@H+](CCc1ccc(OC)cc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246919532 804600022 /nfs/dbraw/zinc/60/00/22/804600022.db2.gz BGVWBSVDURZIQX-SCAQPMJSSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246919532 804600028 /nfs/dbraw/zinc/60/00/28/804600028.db2.gz BGVWBSVDURZIQX-SCAQPMJSSA-N 1 3 290.451 3.089 20 0 CGADHO CCN(CCc1ccc(OC)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246919532 804600035 /nfs/dbraw/zinc/60/00/35/804600035.db2.gz BGVWBSVDURZIQX-SCAQPMJSSA-N 1 3 290.451 3.089 20 0 CGADHO CCCCCC[C@H](CCCC)[N@@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246922025 804601768 /nfs/dbraw/zinc/60/17/68/804601768.db2.gz UGSNKGHPUWIAMV-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@H](CCCC)[N@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246922025 804601773 /nfs/dbraw/zinc/60/17/73/804601773.db2.gz UGSNKGHPUWIAMV-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCCSC1 ZINC001246937382 804608455 /nfs/dbraw/zinc/60/84/55/804608455.db2.gz LZYQEIHZVBGREL-GOEBONIOSA-N 1 3 282.497 3.126 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCCSC1 ZINC001246937382 804608460 /nfs/dbraw/zinc/60/84/60/804608460.db2.gz LZYQEIHZVBGREL-GOEBONIOSA-N 1 3 282.497 3.126 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246944148 804612159 /nfs/dbraw/zinc/61/21/59/804612159.db2.gz UINBFIFKRLBYRX-UKRRQHHQSA-N 1 3 292.854 3.129 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246944150 804612198 /nfs/dbraw/zinc/61/21/98/804612198.db2.gz UINBFIFKRLBYRX-ZFWWWQNUSA-N 1 3 292.854 3.129 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246950213 804616796 /nfs/dbraw/zinc/61/67/96/804616796.db2.gz VYKYZHLMURQMNL-QWHCGFSZSA-N 1 3 298.833 3.342 20 0 CGADHO CC(C)[N@H+]([C@@H]1Cc2cccc(Cl)c2C1)[C@@H]1CCCNC1 ZINC001246954902 804617915 /nfs/dbraw/zinc/61/79/15/804617915.db2.gz NTIBAKKFFOFZRW-HUUCEWRRSA-N 1 3 292.854 3.270 20 0 CGADHO CC(C)[N@@H+]([C@@H]1Cc2cccc(Cl)c2C1)[C@@H]1CCCNC1 ZINC001246954902 804617920 /nfs/dbraw/zinc/61/79/20/804617920.db2.gz NTIBAKKFFOFZRW-HUUCEWRRSA-N 1 3 292.854 3.270 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+](C[C@@H]1CCCNC1)C1CC1)C2 ZINC001246970657 804622369 /nfs/dbraw/zinc/62/23/69/804622369.db2.gz ANIWVZCAQFPRAN-VQIMIIECSA-N 1 3 298.474 3.316 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+](C[C@@H]1CCCNC1)C1CC1)C2 ZINC001246970657 804622372 /nfs/dbraw/zinc/62/23/72/804622372.db2.gz ANIWVZCAQFPRAN-VQIMIIECSA-N 1 3 298.474 3.316 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CSc2ccccc2C1 ZINC001246997153 804632909 /nfs/dbraw/zinc/63/29/09/804632909.db2.gz VOVFNASMBFKEPF-GDBMZVCRSA-N 1 3 290.476 3.025 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNc2ccncc2-c2ccccc2)C1 ZINC001165289872 806988030 /nfs/dbraw/zinc/98/80/30/806988030.db2.gz LBFYLUYZUXLBED-INIZCTEOSA-N 1 3 295.430 3.314 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNc2ccncc2-c2ccccc2)C1 ZINC001165289872 806988036 /nfs/dbraw/zinc/98/80/36/806988036.db2.gz LBFYLUYZUXLBED-INIZCTEOSA-N 1 3 295.430 3.314 20 0 CGADHO CCC(CC)N1CCC([NH2+]C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001257084016 807047368 /nfs/dbraw/zinc/04/73/68/807047368.db2.gz LRFFHHWHEVCXQW-KBPBESRZSA-N 1 3 282.472 3.185 20 0 CGADHO FC[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995755 807295173 /nfs/dbraw/zinc/29/51/73/807295173.db2.gz PTRCGGHMKSHBCU-VPSFDDGASA-N 1 3 280.431 3.073 20 0 CGADHO FC[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995755 807295182 /nfs/dbraw/zinc/29/51/82/807295182.db2.gz PTRCGGHMKSHBCU-VPSFDDGASA-N 1 3 280.431 3.073 20 0 CGADHO FC[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995755 807295189 /nfs/dbraw/zinc/29/51/89/807295189.db2.gz PTRCGGHMKSHBCU-VPSFDDGASA-N 1 3 280.431 3.073 20 0 CGADHO FC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995755 807295194 /nfs/dbraw/zinc/29/51/94/807295194.db2.gz PTRCGGHMKSHBCU-VPSFDDGASA-N 1 3 280.431 3.073 20 0 CGADHO C[C@H]1CCN(C2CC[NH+](CC3CC3)CC2)CCC1(F)F ZINC001168372839 807396464 /nfs/dbraw/zinc/39/64/64/807396464.db2.gz LSMLDJYTTQQCII-ZDUSSCGKSA-N 1 3 286.410 3.228 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C2 ZINC001169079062 807567996 /nfs/dbraw/zinc/56/79/96/807567996.db2.gz IDJMNAPCSFADAA-BTTYYORXSA-N 1 3 298.352 3.420 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001170111780 807760757 /nfs/dbraw/zinc/76/07/57/807760757.db2.gz DRZNPIQIPADXSZ-YOEHRIQHSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001170113444 807762032 /nfs/dbraw/zinc/76/20/32/807762032.db2.gz PEWMGOFMURINGS-VYDXJSESSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC001170113444 807762035 /nfs/dbraw/zinc/76/20/35/807762035.db2.gz PEWMGOFMURINGS-VYDXJSESSA-N 1 3 260.425 3.272 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171093130 807981503 /nfs/dbraw/zinc/98/15/03/807981503.db2.gz CRWHYFBRENYMKJ-INIZCTEOSA-N 1 3 280.843 3.257 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171093130 807981510 /nfs/dbraw/zinc/98/15/10/807981510.db2.gz CRWHYFBRENYMKJ-INIZCTEOSA-N 1 3 280.843 3.257 20 0 CGADHO CC(C)N([C@H]1CCc2c(F)cc(F)cc2C1)C(C)(C)C[NH3+] ZINC001171360927 808035169 /nfs/dbraw/zinc/03/51/69/808035169.db2.gz PLHGOTPLQNXFKF-AWEZNQCLSA-N 1 3 296.405 3.270 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2CC[C@@H](F)C2)CC1(C)C ZINC001171614296 808105306 /nfs/dbraw/zinc/10/53/06/808105306.db2.gz XDNPUWRNFUHPRP-NEPJUHHUSA-N 1 3 256.409 3.118 20 0 CGADHO CN1C(C)(C)CC([NH2+]C2Cc3ccccc3C2)CC1(C)C ZINC001171616870 808105712 /nfs/dbraw/zinc/10/57/12/808105712.db2.gz DAVIJGGMQAUDLG-UHFFFAOYSA-N 1 3 286.463 3.395 20 0 CGADHO C1=CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075648 808170036 /nfs/dbraw/zinc/17/00/36/808170036.db2.gz CXLNRNKGLUCRRX-BWTSREIZSA-N 1 3 282.431 3.444 20 0 CGADHO C1=CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075648 808170040 /nfs/dbraw/zinc/17/00/40/808170040.db2.gz CXLNRNKGLUCRRX-BWTSREIZSA-N 1 3 282.431 3.444 20 0 CGADHO CCc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100212 808172651 /nfs/dbraw/zinc/17/26/51/808172651.db2.gz BFEKWCBUDYLYCR-BCDXTJNWSA-N 1 3 272.436 3.354 20 0 CGADHO CCc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100212 808172655 /nfs/dbraw/zinc/17/26/55/808172655.db2.gz BFEKWCBUDYLYCR-BCDXTJNWSA-N 1 3 272.436 3.354 20 0 CGADHO Cc1ccc(C)c(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102406 808173919 /nfs/dbraw/zinc/17/39/19/808173919.db2.gz MOOZXVRJIFUIFW-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(C)c(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102406 808173920 /nfs/dbraw/zinc/17/39/20/808173920.db2.gz MOOZXVRJIFUIFW-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cc(C)cc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172103721 808174455 /nfs/dbraw/zinc/17/44/55/808174455.db2.gz WZGCVZBCYLPWDS-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cc(C)cc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172103721 808174460 /nfs/dbraw/zinc/17/44/60/808174460.db2.gz WZGCVZBCYLPWDS-BCDXTJNWSA-N 1 3 272.436 3.408 20 0 CGADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CSc3ccccc3C2)C1 ZINC001172205379 808197860 /nfs/dbraw/zinc/19/78/60/808197860.db2.gz VUDZNAKLPXHQQN-ARFHVFGLSA-N 1 3 290.476 3.166 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172205379 808197865 /nfs/dbraw/zinc/19/78/65/808197865.db2.gz VUDZNAKLPXHQQN-ARFHVFGLSA-N 1 3 290.476 3.166 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCN(CC2CC2)C3)C[C@@H]1C ZINC001172373689 808268827 /nfs/dbraw/zinc/26/88/27/808268827.db2.gz MXDHRQUTUSKBBS-HLLBOEOZSA-N 1 3 276.468 3.229 20 0 CGADHO CC(C)COCC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001172456939 808328480 /nfs/dbraw/zinc/32/84/80/808328480.db2.gz KAEGVSPTJGWUAE-INIZCTEOSA-N 1 3 284.488 3.421 20 0 CGADHO CC(C)COCC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001172456939 808328490 /nfs/dbraw/zinc/32/84/90/808328490.db2.gz KAEGVSPTJGWUAE-INIZCTEOSA-N 1 3 284.488 3.421 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC001172827717 808449351 /nfs/dbraw/zinc/44/93/51/808449351.db2.gz DUHZPZAFXFVYGQ-IPMKNSEASA-N 1 3 286.463 3.315 20 0 CGADHO CCC[N@H+](CCCN)C1CCC(Oc2ccccc2)CC1 ZINC001173198154 808534472 /nfs/dbraw/zinc/53/44/72/808534472.db2.gz OVXXCPKVXSORBK-UHFFFAOYSA-N 1 3 290.451 3.437 20 0 CGADHO CCC[N@@H+](CCCN)C1CCC(Oc2ccccc2)CC1 ZINC001173198154 808534477 /nfs/dbraw/zinc/53/44/77/808534477.db2.gz OVXXCPKVXSORBK-UHFFFAOYSA-N 1 3 290.451 3.437 20 0 CGADHO CCc1ccc(C[C@H](C)N(C)CCC[NH+](C)C)cc1 ZINC001173252672 808558763 /nfs/dbraw/zinc/55/87/63/808558763.db2.gz NJAZLKSHBWPUFM-HNNXBMFYSA-N 1 3 262.441 3.064 20 0 CGADHO CC[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173276838 808580174 /nfs/dbraw/zinc/58/01/74/808580174.db2.gz VYOCPAVFPRXFGG-MAUKXSAKSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@H](CC)CN1CC2(C1)CCC[N@H+](CCOC)C2 ZINC001274980343 808896405 /nfs/dbraw/zinc/89/64/05/808896405.db2.gz JKKHIKMXHNKKOM-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO CCCC[C@H](CC)CN1CC2(C1)CCC[N@@H+](CCOC)C2 ZINC001274980343 808896411 /nfs/dbraw/zinc/89/64/11/808896411.db2.gz JKKHIKMXHNKKOM-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO c1cncc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001275885349 808973889 /nfs/dbraw/zinc/97/38/89/808973889.db2.gz DHRNSNZRXOZQIC-UHFFFAOYSA-N 1 3 299.462 3.312 20 0 CGADHO c1cncc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC001275885349 808973893 /nfs/dbraw/zinc/97/38/93/808973893.db2.gz DHRNSNZRXOZQIC-UHFFFAOYSA-N 1 3 299.462 3.312 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3[nH]ccc31)C2 ZINC001276233013 808994312 /nfs/dbraw/zinc/99/43/12/808994312.db2.gz PUPQJJSXZCROSJ-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3[nH]ccc31)C2 ZINC001276233013 808994316 /nfs/dbraw/zinc/99/43/16/808994316.db2.gz PUPQJJSXZCROSJ-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3c(C)cccc3C)(C1)CCC2 ZINC001276362931 809003762 /nfs/dbraw/zinc/00/37/62/809003762.db2.gz OFNUUZLKRZRRHL-ZWKOTPCHSA-N 1 3 272.436 3.458 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)cc(C)n1 ZINC001276398296 809005051 /nfs/dbraw/zinc/00/50/51/809005051.db2.gz QIYAAXDRQOTGIM-SFHVURJKSA-N 1 3 287.451 3.006 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)cc(C)n1 ZINC001276398296 809005059 /nfs/dbraw/zinc/00/50/59/809005059.db2.gz QIYAAXDRQOTGIM-SFHVURJKSA-N 1 3 287.451 3.006 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001177742478 809818062 /nfs/dbraw/zinc/81/80/62/809818062.db2.gz IVOTWUPHYQFRHK-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCN2C)C12CCCCC2 ZINC001194092397 811014139 /nfs/dbraw/zinc/01/41/39/811014139.db2.gz OYNXHIPIYMXBBH-YESZJQIVSA-N 1 3 294.483 3.188 20 0 CGADHO CCCCCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001201753936 811959317 /nfs/dbraw/zinc/95/93/17/811959317.db2.gz GBUARLCVEYZPJD-QGZVFWFLSA-N 1 3 282.472 3.142 20 0 CGADHO Cc1cc(C[NH2+]CC[C@@H](C)N(C)C)ccc1Cl ZINC001203269826 812286285 /nfs/dbraw/zinc/28/62/85/812286285.db2.gz DVUDRCRAYDERJA-GFCCVEGCSA-N 1 3 254.805 3.078 20 0 CGADHO CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001204089873 812546387 /nfs/dbraw/zinc/54/63/87/812546387.db2.gz SEGCLEKQLDIHKC-BPQIPLTHSA-N 1 3 272.436 3.240 20 0 CGADHO CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204692154 812709477 /nfs/dbraw/zinc/70/94/77/812709477.db2.gz UQQHKZBUDJBPQO-UHFFFAOYSA-N 1 3 284.378 3.103 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@@](C)(N)C1 ZINC001204937358 812785614 /nfs/dbraw/zinc/78/56/14/812785614.db2.gz COFKETNTYDAGGP-NVXWUHKLSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@](C)(N)C1 ZINC001204937358 812785618 /nfs/dbraw/zinc/78/56/18/812785618.db2.gz COFKETNTYDAGGP-NVXWUHKLSA-N 1 3 284.488 3.421 20 0 CGADHO N[C@H]1CCC[N@H+](CCCCCc2ccccc2)CC1 ZINC001205094548 812862332 /nfs/dbraw/zinc/86/23/32/812862332.db2.gz MWDSOGKOVYKBSK-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO N[C@H]1CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205094548 812862339 /nfs/dbraw/zinc/86/23/39/812862339.db2.gz MWDSOGKOVYKBSK-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001205101433 812864491 /nfs/dbraw/zinc/86/44/91/812864491.db2.gz FEBAMQPBGJLCDV-GOSISDBHSA-N 1 3 281.403 3.062 20 0 CGADHO C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)Cc2ccccc21 ZINC001205164290 812894079 /nfs/dbraw/zinc/89/40/79/812894079.db2.gz BZEQJHFORGSMPZ-AWEZNQCLSA-N 1 3 278.399 3.409 20 0 CGADHO CCCOc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205266763 812922013 /nfs/dbraw/zinc/92/20/13/812922013.db2.gz XLOQFMKBBHTLNC-QGZVFWFLSA-N 1 3 276.424 3.179 20 0 CGADHO CC(C)COc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205274382 812926235 /nfs/dbraw/zinc/92/62/35/812926235.db2.gz WROZVUFOIXRNEL-GOSISDBHSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1CN ZINC001205296836 812937433 /nfs/dbraw/zinc/93/74/33/812937433.db2.gz UPCYYJUODQALRN-JWDQPFGJSA-N 1 3 292.854 3.360 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1CN ZINC001205296836 812937437 /nfs/dbraw/zinc/93/74/37/812937437.db2.gz UPCYYJUODQALRN-JWDQPFGJSA-N 1 3 292.854 3.360 20 0 CGADHO CCn1ccc2ccc(CN3CC[C@@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205303624 812942386 /nfs/dbraw/zinc/94/23/86/812942386.db2.gz ISYKQICAVKUDSE-RHSMWYFYSA-N 1 3 285.435 3.078 20 0 CGADHO COc1cc(C)c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)c1C ZINC001205305011 812943744 /nfs/dbraw/zinc/94/37/44/812943744.db2.gz QMWBQQJKSDFAQB-MLGOLLRUSA-N 1 3 290.451 3.037 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1CCNCC[C@H]1C ZINC001205325418 812956056 /nfs/dbraw/zinc/95/60/56/812956056.db2.gz MZHGQYGDPRQIJP-GFCCVEGCSA-N 1 3 274.433 3.394 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1CCNCC[C@H]1C ZINC001205325418 812956059 /nfs/dbraw/zinc/95/60/59/812956059.db2.gz MZHGQYGDPRQIJP-GFCCVEGCSA-N 1 3 274.433 3.394 20 0 CGADHO Cc1ccc(F)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205618796 813028567 /nfs/dbraw/zinc/02/85/67/813028567.db2.gz YWKUDGQXARMDKF-WCQYABFASA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205627386 813032401 /nfs/dbraw/zinc/03/24/01/813032401.db2.gz OWQFOMMHHVEUEI-DGCLKSJQSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1cc(F)c(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)c1 ZINC001205639166 813039264 /nfs/dbraw/zinc/03/92/64/813039264.db2.gz WTAZEGKTURFEBO-QWHCGFSZSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc2ccccc2s1 ZINC001205903013 813124175 /nfs/dbraw/zinc/12/41/75/813124175.db2.gz MTIQCFLBBRIHMM-JSGCOSHPSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001205903600 813126690 /nfs/dbraw/zinc/12/66/90/813126690.db2.gz QGVYXUYZHGVCGX-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903600 813126692 /nfs/dbraw/zinc/12/66/92/813126692.db2.gz QGVYXUYZHGVCGX-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1CCCc1ccc(Cl)cc1 ZINC001205903600 813126696 /nfs/dbraw/zinc/12/66/96/813126696.db2.gz QGVYXUYZHGVCGX-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1cccc(-c2ccccn2)c1 ZINC001205913254 813129802 /nfs/dbraw/zinc/12/98/02/813129802.db2.gz IAZYATFZOQBCBH-YJBOKZPZSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1CN(Cc2ccc(F)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001205994327 813155271 /nfs/dbraw/zinc/15/52/71/813155271.db2.gz KUSGJBIKLRJGHM-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO CCCCOc1cccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206163217 813219971 /nfs/dbraw/zinc/21/99/71/813219971.db2.gz ASGKQBZZZGFTAO-IAGOWNOFSA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1cccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206163217 813219973 /nfs/dbraw/zinc/21/99/73/813219973.db2.gz ASGKQBZZZGFTAO-IAGOWNOFSA-N 1 3 294.414 3.127 20 0 CGADHO COc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1C(C)C ZINC001206172546 813224251 /nfs/dbraw/zinc/22/42/51/813224251.db2.gz APADWKBOLRCBJZ-JKSUJKDBSA-N 1 3 294.414 3.080 20 0 CGADHO COc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1C(C)C ZINC001206172546 813224256 /nfs/dbraw/zinc/22/42/56/813224256.db2.gz APADWKBOLRCBJZ-JKSUJKDBSA-N 1 3 294.414 3.080 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2ccccc2-c2cccnc2)CC[C@H]1F ZINC001206174587 813226624 /nfs/dbraw/zinc/22/66/24/813226624.db2.gz OHTVTRVLTFVUDX-QZTJIDSGSA-N 1 3 299.393 3.010 20 0 CGADHO [NH3+]C[C@H]1CCCCN(CCCc2ccccc2Cl)C1 ZINC001206606572 813373038 /nfs/dbraw/zinc/37/30/38/813373038.db2.gz PRVPVMHFRSNZGU-CQSZACIVSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccc2ccsc2c1 ZINC001206806599 813441566 /nfs/dbraw/zinc/44/15/66/813441566.db2.gz GVHUCYFHBLFGDN-OCCSQVGLSA-N 1 3 274.433 3.461 20 0 CGADHO CN(C)C1CC[NH+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001207178593 813506557 /nfs/dbraw/zinc/50/65/57/813506557.db2.gz WXQFQVNXADLTBQ-RHSMWYFYSA-N 1 3 292.854 3.470 20 0 CGADHO CC[N@H+](Cc1ccc(F)cc1)CC(C)(C)CN(C)C ZINC001207283089 813534325 /nfs/dbraw/zinc/53/43/25/813534325.db2.gz RFQVWZNFGYYQLT-UHFFFAOYSA-N 1 3 266.404 3.235 20 0 CGADHO CC[N@@H+](Cc1ccc(F)cc1)CC(C)(C)CN(C)C ZINC001207283089 813534331 /nfs/dbraw/zinc/53/43/31/813534331.db2.gz RFQVWZNFGYYQLT-UHFFFAOYSA-N 1 3 266.404 3.235 20 0 CGADHO CCN(Cc1cccc(F)c1F)CC1CC[NH+](C)CC1 ZINC001207399787 813556657 /nfs/dbraw/zinc/55/66/57/813556657.db2.gz SNFYRYVVWVDECE-UHFFFAOYSA-N 1 3 282.378 3.129 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)C2=CCOCC2)CC1 ZINC001207805951 813653376 /nfs/dbraw/zinc/65/33/76/813653376.db2.gz NLYNVFWAYSRQQX-UHFFFAOYSA-N 1 3 294.483 3.212 20 0 CGADHO CCC1(C)CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001207835350 813656067 /nfs/dbraw/zinc/65/60/67/813656067.db2.gz BEVATHDADMYHBI-TXOGFHGLSA-N 1 3 264.457 3.275 20 0 CGADHO CS[C@H](C)CC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001208152470 813710535 /nfs/dbraw/zinc/71/05/35/813710535.db2.gz HLSJSQHTDIPOIZ-PMPSAXMXSA-N 1 3 284.513 3.467 20 0 CGADHO CS[C@H](C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001208152470 813710538 /nfs/dbraw/zinc/71/05/38/813710538.db2.gz HLSJSQHTDIPOIZ-PMPSAXMXSA-N 1 3 284.513 3.467 20 0 CGADHO Cc1ccc([C@H](C)CCN2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC001208165611 813720801 /nfs/dbraw/zinc/72/08/01/813720801.db2.gz GMZVGAPXXAJALM-RHSMWYFYSA-N 1 3 276.424 3.109 20 0 CGADHO Cc1ccc([C@H](C)CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC001208165611 813720806 /nfs/dbraw/zinc/72/08/06/813720806.db2.gz GMZVGAPXXAJALM-RHSMWYFYSA-N 1 3 276.424 3.109 20 0 CGADHO COc1ccc([C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208612722 813773306 /nfs/dbraw/zinc/77/33/06/813773306.db2.gz NIRREEZOKIXFTB-LSDHHAIUSA-N 1 3 276.424 3.030 20 0 CGADHO COc1ccc([C@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612722 813773311 /nfs/dbraw/zinc/77/33/11/813773311.db2.gz NIRREEZOKIXFTB-LSDHHAIUSA-N 1 3 276.424 3.030 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614962 813773891 /nfs/dbraw/zinc/77/38/91/813773891.db2.gz FZPHIJCJJCDSBE-HNNXBMFYSA-N 1 3 272.436 3.122 20 0 CGADHO C[N@H+]1CCC[C@H](CN2Cc3ccccc3C(C)(C)C2)C1 ZINC001208614962 813773896 /nfs/dbraw/zinc/77/38/96/813773896.db2.gz FZPHIJCJJCDSBE-HNNXBMFYSA-N 1 3 272.436 3.122 20 0 CGADHO CCOC(C)(C)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209075060 813926374 /nfs/dbraw/zinc/92/63/74/813926374.db2.gz NJQKEAHHCRRSBH-MRXNPFEDSA-N 1 3 282.472 3.142 20 0 CGADHO CCOC(C)(C)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209075060 813926377 /nfs/dbraw/zinc/92/63/77/813926377.db2.gz NJQKEAHHCRRSBH-MRXNPFEDSA-N 1 3 282.472 3.142 20 0 CGADHO CCCCN1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC001209300342 813996442 /nfs/dbraw/zinc/99/64/42/813996442.db2.gz RKYYLFZSTKNFHA-UHFFFAOYSA-N 1 3 290.451 3.262 20 0 CGADHO CCCCN1CCC([N@@H+](C)CCOc2ccccc2)CC1 ZINC001209300342 813996446 /nfs/dbraw/zinc/99/64/46/813996446.db2.gz RKYYLFZSTKNFHA-UHFFFAOYSA-N 1 3 290.451 3.262 20 0 CGADHO C[C@H]1C[C@@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209421213 814022720 /nfs/dbraw/zinc/02/27/20/814022720.db2.gz JGTDNDLIHNZNSP-FUHWJXTLSA-N 1 3 284.447 3.240 20 0 CGADHO C[C@H]1C[C@H]1C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001209421217 814023006 /nfs/dbraw/zinc/02/30/06/814023006.db2.gz JGTDNDLIHNZNSP-WMZOPIPTSA-N 1 3 284.447 3.240 20 0 CGADHO CC1(C)C[N@H+](CCCN2CCCCC2)CCC1(F)F ZINC001209449985 814047225 /nfs/dbraw/zinc/04/72/25/814047225.db2.gz NQFGOQQPILRIIE-UHFFFAOYSA-N 1 3 274.399 3.230 20 0 CGADHO CC1(C)C[N@@H+](CCCN2CCCCC2)CCC1(F)F ZINC001209449985 814047232 /nfs/dbraw/zinc/04/72/32/814047232.db2.gz NQFGOQQPILRIIE-UHFFFAOYSA-N 1 3 274.399 3.230 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142224 816360307 /nfs/dbraw/zinc/36/03/07/816360307.db2.gz XYBIKRBFSPWCIJ-WMZOPIPTSA-N 1 3 296.499 3.029 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142224 816360316 /nfs/dbraw/zinc/36/03/16/816360316.db2.gz XYBIKRBFSPWCIJ-WMZOPIPTSA-N 1 3 296.499 3.029 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222230847 816379322 /nfs/dbraw/zinc/37/93/22/816379322.db2.gz FEVBOAXXUXBAFP-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CCC[C@]12CCCNC2 ZINC001222230847 816379328 /nfs/dbraw/zinc/37/93/28/816379328.db2.gz FEVBOAXXUXBAFP-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265329 816390487 /nfs/dbraw/zinc/39/04/87/816390487.db2.gz RITRKZYCXOOWMR-LJQANCHMSA-N 1 3 297.446 3.144 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001222422384 816440139 /nfs/dbraw/zinc/44/01/39/816440139.db2.gz UOJGEEVUVZJWOC-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001222422384 816440145 /nfs/dbraw/zinc/44/01/45/816440145.db2.gz UOJGEEVUVZJWOC-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCc1ccc(C[NH+]2C[C@@H]3CN(CC)C[C@H]3C2)cc1 ZINC001231784252 818174334 /nfs/dbraw/zinc/17/43/34/818174334.db2.gz TZNORJKVKRQVBY-OALUTQOASA-N 1 3 286.463 3.413 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(F)c(C)c(F)c1 ZINC001232427276 818347385 /nfs/dbraw/zinc/34/73/85/818347385.db2.gz UDEDVUVHFUAWTR-UHFFFAOYSA-N 1 3 284.394 3.437 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(F)c(C)c(F)c1 ZINC001232427276 818347392 /nfs/dbraw/zinc/34/73/92/818347392.db2.gz UDEDVUVHFUAWTR-UHFFFAOYSA-N 1 3 284.394 3.437 20 0 CGADHO Cc1ccccc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235039740 818988976 /nfs/dbraw/zinc/98/89/76/818988976.db2.gz HXMLWPFDDGWPOR-KRWDZBQOSA-N 1 3 258.409 3.103 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235046306 818990230 /nfs/dbraw/zinc/99/02/30/818990230.db2.gz PETOCFPYALFPPM-LJQANCHMSA-N 1 3 297.446 3.286 20 0 CGADHO Cc1sc2ccccc2c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193958 819032621 /nfs/dbraw/zinc/03/26/21/819032621.db2.gz SZJOQFVKBPCBAR-ZIAGYGMSSA-N 1 3 286.444 3.251 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363586 819080339 /nfs/dbraw/zinc/08/03/39/819080339.db2.gz SEZQWETUKDPHCI-IEBWSBKVSA-N 1 3 286.463 3.286 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363586 819080345 /nfs/dbraw/zinc/08/03/45/819080345.db2.gz SEZQWETUKDPHCI-IEBWSBKVSA-N 1 3 286.463 3.286 20 0 CGADHO Cc1ccc(CN(C)CCC2CC[NH2+]CC2)c(F)c1F ZINC001235716951 819150465 /nfs/dbraw/zinc/15/04/65/819150465.db2.gz OOPYVLZMPJPRCA-UHFFFAOYSA-N 1 3 282.378 3.095 20 0 CGADHO CCc1cccc(C)c1CN(CC)C1CC[NH2+]CC1 ZINC001235764958 819163278 /nfs/dbraw/zinc/16/32/78/819163278.db2.gz ULKOOGJCGDZYKC-UHFFFAOYSA-N 1 3 260.425 3.131 20 0 CGADHO CCc1cccc(C)c1C[N@@H+](CC)C1CCNCC1 ZINC001235764958 819163280 /nfs/dbraw/zinc/16/32/80/819163280.db2.gz ULKOOGJCGDZYKC-UHFFFAOYSA-N 1 3 260.425 3.131 20 0 CGADHO CCc1cccc(C)c1C[N@H+](CC)C1CCNCC1 ZINC001235764958 819163281 /nfs/dbraw/zinc/16/32/81/819163281.db2.gz ULKOOGJCGDZYKC-UHFFFAOYSA-N 1 3 260.425 3.131 20 0 CGADHO CCCCOc1cccc(CN2CCC[C@H]2CC[NH3+])c1 ZINC001235925608 819224229 /nfs/dbraw/zinc/22/42/29/819224229.db2.gz XGRHJAWUHDINSC-INIZCTEOSA-N 1 3 276.424 3.179 20 0 CGADHO FC1(CN2CC[C@@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC001235949724 819240355 /nfs/dbraw/zinc/24/03/55/819240355.db2.gz GOMCUOFJUCLRTP-CQSZACIVSA-N 1 3 296.817 3.221 20 0 CGADHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(Cc1ccc3ccccc3c1)C2 ZINC001235958244 819246256 /nfs/dbraw/zinc/24/62/56/819246256.db2.gz BNCKGHBWUPRCHF-BCDXTJNWSA-N 1 3 266.388 3.009 20 0 CGADHO Cc1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc2)o1 ZINC001235959773 819246775 /nfs/dbraw/zinc/24/67/75/819246775.db2.gz NVPQORLBZSWBAI-IZZQQSIFSA-N 1 3 296.414 3.424 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981845 819258753 /nfs/dbraw/zinc/25/87/53/819258753.db2.gz XSMKKVFZDCDQNB-YQQAZPJKSA-N 1 3 282.472 3.031 20 0 CGADHO CC(C)=CCC[C@H](C)CCN1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981855 819259466 /nfs/dbraw/zinc/25/94/66/819259466.db2.gz XUXDRFZTTIGSIU-JYJNAYRXSA-N 1 3 250.430 3.182 20 0 CGADHO Clc1ccccc1CCCN1CC2(C1)CCC[NH2+]CC2 ZINC001236009799 819273680 /nfs/dbraw/zinc/27/36/80/819273680.db2.gz WFGGCIRPYHTASX-UHFFFAOYSA-N 1 3 292.854 3.348 20 0 CGADHO C[C@H]1C[C@@H](N)C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044977 819282243 /nfs/dbraw/zinc/28/22/43/819282243.db2.gz QVGUGYXDLJKLSG-FUHWJXTLSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@H]1C[C@@H](N)C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044977 819282250 /nfs/dbraw/zinc/28/22/50/819282250.db2.gz QVGUGYXDLJKLSG-FUHWJXTLSA-N 1 3 290.451 3.043 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060373 819294109 /nfs/dbraw/zinc/29/41/09/819294109.db2.gz OVWWSGKOXQPBBK-ULQDDVLXSA-N 1 3 296.499 3.292 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060373 819294116 /nfs/dbraw/zinc/29/41/16/819294116.db2.gz OVWWSGKOXQPBBK-ULQDDVLXSA-N 1 3 296.499 3.292 20 0 CGADHO CCC[N@H+](CCc1ccc(F)cc1Cl)C1CCNCC1 ZINC001236180803 819360495 /nfs/dbraw/zinc/36/04/95/819360495.db2.gz OBUCLYAONIYCEQ-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO CCC[N@@H+](CCc1ccc(F)cc1Cl)C1CCNCC1 ZINC001236180803 819360502 /nfs/dbraw/zinc/36/05/02/819360502.db2.gz OBUCLYAONIYCEQ-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@H]1N ZINC001236212382 819373583 /nfs/dbraw/zinc/37/35/83/819373583.db2.gz KPVSTWKVDBAKBY-GDBMZVCRSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[C@H]1N ZINC001236212382 819373591 /nfs/dbraw/zinc/37/35/91/819373591.db2.gz KPVSTWKVDBAKBY-GDBMZVCRSA-N 1 3 275.371 3.009 20 0 CGADHO Cc1ccc2cc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)ccc2n1 ZINC001236214836 819378970 /nfs/dbraw/zinc/37/89/70/819378970.db2.gz FRKZZJRXTHAHIC-FUHWJXTLSA-N 1 3 283.419 3.245 20 0 CGADHO Cc1ccc2cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)ccc2n1 ZINC001236214836 819378977 /nfs/dbraw/zinc/37/89/77/819378977.db2.gz FRKZZJRXTHAHIC-FUHWJXTLSA-N 1 3 283.419 3.245 20 0 CGADHO C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@H]1N ZINC001236218072 819384521 /nfs/dbraw/zinc/38/45/21/819384521.db2.gz RIRXAVFFSWVGFX-CABCVRRESA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@H]1N ZINC001236218072 819384523 /nfs/dbraw/zinc/38/45/23/819384523.db2.gz RIRXAVFFSWVGFX-CABCVRRESA-N 1 3 275.371 3.009 20 0 CGADHO Cc1ccc(CN2CCC[NH2+]CCC2)c2ccccc12 ZINC001236240946 819399207 /nfs/dbraw/zinc/39/92/07/819399207.db2.gz VJWXAAHTJKFIQJ-UHFFFAOYSA-N 1 3 268.404 3.334 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)CC1(F)CC[NH2+]CC1 ZINC001236239362 819399477 /nfs/dbraw/zinc/39/94/77/819399477.db2.gz DXYGOQJSKSPDOO-UHFFFAOYSA-N 1 3 278.415 3.217 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372673 819441365 /nfs/dbraw/zinc/44/13/65/819441365.db2.gz SHUAMVFGVRUYEW-BSDSXHPESA-N 1 3 288.479 3.443 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372673 819441367 /nfs/dbraw/zinc/44/13/67/819441367.db2.gz SHUAMVFGVRUYEW-BSDSXHPESA-N 1 3 288.479 3.443 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372674 819441475 /nfs/dbraw/zinc/44/14/75/819441475.db2.gz SHUAMVFGVRUYEW-FJIDUMEYSA-N 1 3 288.479 3.443 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372674 819441478 /nfs/dbraw/zinc/44/14/78/819441478.db2.gz SHUAMVFGVRUYEW-FJIDUMEYSA-N 1 3 288.479 3.443 20 0 CGADHO c1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236373357 819441743 /nfs/dbraw/zinc/44/17/43/819441743.db2.gz GOFIKPRBGAAVNW-AWEZNQCLSA-N 1 3 278.465 3.492 20 0 CGADHO c1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)cs1 ZINC001236373358 819442379 /nfs/dbraw/zinc/44/23/79/819442379.db2.gz GOFIKPRBGAAVNW-CQSZACIVSA-N 1 3 278.465 3.492 20 0 CGADHO CC[C@H](C)C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236400573 819450756 /nfs/dbraw/zinc/45/07/56/819450756.db2.gz FOZVBSMQLNMYPI-AWEZNQCLSA-N 1 3 278.415 3.426 20 0 CGADHO CC[C@H](C)C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236400573 819450758 /nfs/dbraw/zinc/45/07/58/819450758.db2.gz FOZVBSMQLNMYPI-AWEZNQCLSA-N 1 3 278.415 3.426 20 0 CGADHO CC[C@H](C)CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400573 819450761 /nfs/dbraw/zinc/45/07/61/819450761.db2.gz FOZVBSMQLNMYPI-AWEZNQCLSA-N 1 3 278.415 3.426 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H](N)[C@H]2C)c2ccccc12 ZINC001236420826 819467141 /nfs/dbraw/zinc/46/71/41/819467141.db2.gz OLOUDXJNLGMPJV-RDTXWAMCSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H](N)[C@H]2C)c2ccccc12 ZINC001236420826 819467146 /nfs/dbraw/zinc/46/71/46/819467146.db2.gz OLOUDXJNLGMPJV-RDTXWAMCSA-N 1 3 268.404 3.460 20 0 CGADHO Fc1ccccc1CCCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584764 819545970 /nfs/dbraw/zinc/54/59/70/819545970.db2.gz SSBCTGGRMHTZTI-OAHLLOKOSA-N 1 3 290.426 3.222 20 0 CGADHO Cc1ccc(C)c(C[N@H+](C2CCC2)C2CCNCC2)c1 ZINC001236633321 819556755 /nfs/dbraw/zinc/55/67/55/819556755.db2.gz FWPAZDORGSYHGU-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO Cc1ccc(C)c(C[N@@H+](C2CCC2)C2CCNCC2)c1 ZINC001236633321 819556759 /nfs/dbraw/zinc/55/67/59/819556759.db2.gz FWPAZDORGSYHGU-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO CCCN(Cc1c[nH]c2ccc(C)cc12)C[C@H]1CC[NH2+]C1 ZINC001236834207 819612920 /nfs/dbraw/zinc/61/29/20/819612920.db2.gz FJVDVCSPDUCGCX-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835972 819614982 /nfs/dbraw/zinc/61/49/82/819614982.db2.gz RIPPNPTYLOXTIU-CQSZACIVSA-N 1 3 298.377 3.110 20 0 CGADHO CCCN(Cc1ccc2occc2c1)C[C@H]1CC[NH2+]C1 ZINC001236835647 819615482 /nfs/dbraw/zinc/61/54/82/819615482.db2.gz OIPSFLUICKEXKY-HNNXBMFYSA-N 1 3 272.392 3.254 20 0 CGADHO COc1ccc(CN2CCC[C@](C)(C[NH3+])C2)c2ccccc12 ZINC001237058729 819656811 /nfs/dbraw/zinc/65/68/11/819656811.db2.gz RPXCQSKPVUZLEX-LJQANCHMSA-N 1 3 298.430 3.409 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC001237081238 819662559 /nfs/dbraw/zinc/66/25/59/819662559.db2.gz JQAVLJPGFXPPAA-KRWDZBQOSA-N 1 3 258.409 3.125 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+]1CCCc1ccccc1C(F)(F)F ZINC001237205195 819697635 /nfs/dbraw/zinc/69/76/35/819697635.db2.gz XIIMWWBUNFWVBA-YPMHNXCESA-N 1 3 286.341 3.060 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+]1CCCc1ccccc1C(F)(F)F ZINC001237205195 819697639 /nfs/dbraw/zinc/69/76/39/819697639.db2.gz XIIMWWBUNFWVBA-YPMHNXCESA-N 1 3 286.341 3.060 20 0 CGADHO CC(C)(C)CN1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237277181 819715140 /nfs/dbraw/zinc/71/51/40/819715140.db2.gz WZEUQMSXQJZKDK-UHFFFAOYSA-N 1 3 272.436 3.170 20 0 CGADHO CCN(CC)Cc1ccc(C2=CCC[NH2+]CC2)cc1F ZINC001238948712 820164573 /nfs/dbraw/zinc/16/45/73/820164573.db2.gz COGAINHWOGHCRZ-UHFFFAOYSA-N 1 3 276.399 3.434 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2(C)CCCC2)C1 ZINC001474344719 937852736 /nfs/dbraw/zinc/85/27/36/937852736.db2.gz RRWOJDDBIFWULS-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC001474344719 937852737 /nfs/dbraw/zinc/85/27/37/937852737.db2.gz RRWOJDDBIFWULS-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO c1c(C[NH2+]C[C@H]2CCc3ccccc32)sc2c1CNCC2 ZINC001352179266 937038442 /nfs/dbraw/zinc/03/84/42/937038442.db2.gz XYWIQXOZESHOKS-CQSZACIVSA-N 1 3 298.455 3.213 20 0 CGADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000037771958 928691940 /nfs/dbraw/zinc/69/19/40/928691940.db2.gz YUFKSVAMRIHESE-RYUDHWBXSA-N 1 3 282.378 3.346 20 0 CGADHO C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000037771959 928692531 /nfs/dbraw/zinc/69/25/31/928692531.db2.gz YUFKSVAMRIHESE-NWDGAFQWSA-N 1 3 282.378 3.346 20 0 CGADHO C[N@@H+]1C[C@@H]2CN([C@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862769 937549902 /nfs/dbraw/zinc/54/99/02/937549902.db2.gz IKLWUDOCEZVFKF-DQYPLSBCSA-N 1 3 290.838 3.211 20 0 CGADHO C[N@H+]1C[C@@H]2CN([C@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862769 937549905 /nfs/dbraw/zinc/54/99/05/937549905.db2.gz IKLWUDOCEZVFKF-DQYPLSBCSA-N 1 3 290.838 3.211 20 0 CGADHO CC[NH+](CC)C1CCN(C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC001330662478 932044193 /nfs/dbraw/zinc/04/41/93/932044193.db2.gz WIGQEFVMKCONCA-OAHLLOKOSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1 ZINC001461830549 937600508 /nfs/dbraw/zinc/60/05/08/937600508.db2.gz PPCOXYFIXOLTMZ-CEXWTWQISA-N 1 3 286.463 3.315 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@H]2CCCC23CCOCC3)CC1 ZINC001307575612 932970892 /nfs/dbraw/zinc/97/08/92/932970892.db2.gz DRKUBPNECXYCNP-MRXNPFEDSA-N 1 3 294.483 3.046 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748930 933169555 /nfs/dbraw/zinc/16/95/55/933169555.db2.gz XRAQPAUKYLZDFG-PMACEKPBSA-N 1 3 298.474 3.482 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748930 933169558 /nfs/dbraw/zinc/16/95/58/933169558.db2.gz XRAQPAUKYLZDFG-PMACEKPBSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748930 933169560 /nfs/dbraw/zinc/16/95/60/933169560.db2.gz XRAQPAUKYLZDFG-PMACEKPBSA-N 1 3 298.474 3.482 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCCC3)C1 ZINC001308748930 933169563 /nfs/dbraw/zinc/16/95/63/933169563.db2.gz XRAQPAUKYLZDFG-PMACEKPBSA-N 1 3 298.474 3.482 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455486 933878369 /nfs/dbraw/zinc/87/83/69/933878369.db2.gz WBGOWYIGVIIBGY-SJKOYZFVSA-N 1 3 294.389 3.274 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2cccn2C2CC2)CCCC1 ZINC001324659648 934542939 /nfs/dbraw/zinc/54/29/39/934542939.db2.gz GQIPDXRJXOYXGO-UHFFFAOYSA-N 1 3 275.440 3.035 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1Cl)CN(C)C ZINC001324787417 934567635 /nfs/dbraw/zinc/56/76/35/934567635.db2.gz FWTYGXNUWSVQAG-OLZOCXBDSA-N 1 3 268.832 3.058 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1CCC2 ZINC001331819621 935412234 /nfs/dbraw/zinc/41/22/34/935412234.db2.gz CBONZZPJKLBUOH-GBESFXJTSA-N 1 3 284.447 3.186 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H]1CCCc2c(C)ccc(C)c21 ZINC001331835004 935412774 /nfs/dbraw/zinc/41/27/74/935412774.db2.gz ODESFSXSLOTIBJ-ZBFHGGJFSA-N 1 3 260.425 3.268 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cccn3C3CC3)CC2)CC1 ZINC001333001630 935503921 /nfs/dbraw/zinc/50/39/21/935503921.db2.gz ZREWPLIXRIQYPX-UHFFFAOYSA-N 1 3 287.451 3.131 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2nccc3ccccc32)CC1 ZINC001334368162 936099585 /nfs/dbraw/zinc/09/95/85/936099585.db2.gz SKUKFZJCPCIZIH-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2nccc3ccccc32)CC1 ZINC001334368162 936099590 /nfs/dbraw/zinc/09/95/90/936099590.db2.gz SKUKFZJCPCIZIH-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CC(C)[C@H](CNCCc1ccc(F)cc1)[NH+]1CCCC1 ZINC001337416008 936257374 /nfs/dbraw/zinc/25/73/74/936257374.db2.gz VXUVVFVCVZREDN-KRWDZBQOSA-N 1 3 278.415 3.078 20 0 CGADHO Cc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc2cccnc12 ZINC001473928008 937830639 /nfs/dbraw/zinc/83/06/39/937830639.db2.gz OMIZGKYSMWVVIV-OAHLLOKOSA-N 1 3 295.430 3.117 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317658 937850964 /nfs/dbraw/zinc/85/09/64/937850964.db2.gz IWKJPHRYHUMKPY-CRAIPNDOSA-N 1 3 299.462 3.340 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)[C@H](C)C1 ZINC001474317658 937850966 /nfs/dbraw/zinc/85/09/66/937850966.db2.gz IWKJPHRYHUMKPY-CRAIPNDOSA-N 1 3 299.462 3.340 20 0 CGADHO C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@@H]1CCCN(CC2CC2)C1 ZINC001474644867 937872245 /nfs/dbraw/zinc/87/22/45/937872245.db2.gz DMTLPOWBTLVBIA-XSLAGTTESA-N 1 3 276.468 3.277 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129719 938163062 /nfs/dbraw/zinc/16/30/62/938163062.db2.gz VLUMOIDXUWKFQE-MKXGPGLRSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129719 938163063 /nfs/dbraw/zinc/16/30/63/938163063.db2.gz VLUMOIDXUWKFQE-MKXGPGLRSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129719 938163064 /nfs/dbraw/zinc/16/30/64/938163064.db2.gz VLUMOIDXUWKFQE-MKXGPGLRSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC001550129719 938163065 /nfs/dbraw/zinc/16/30/65/938163065.db2.gz VLUMOIDXUWKFQE-MKXGPGLRSA-N 1 3 284.447 3.206 20 0 CGADHO C[NH2+]C1CCN(C[C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC001552412850 938191852 /nfs/dbraw/zinc/19/18/52/938191852.db2.gz ZHHGOEGXERNKDK-RDJZCZTQSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H](C[NH2+]C[C@H](C)CN(C)C)CC1CCCCC1 ZINC001560488140 938260386 /nfs/dbraw/zinc/26/03/86/938260386.db2.gz SXIKDYNKPHBWMO-CABCVRRESA-N 1 3 254.462 3.380 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001561055303 938292323 /nfs/dbraw/zinc/29/23/23/938292323.db2.gz LUONRYRWXCDJLY-FFHGMXDLSA-N 1 3 270.486 3.123 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@H]2CNCC2(C)C)CC1 ZINC001575118553 962342335 /nfs/dbraw/zinc/34/23/35/962342335.db2.gz DJILFWWMAMHKAU-RUXDESIVSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC001575549708 962390269 /nfs/dbraw/zinc/39/02/69/962390269.db2.gz LKIKLSKFAMKKNG-HOCLYGCPSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@@H]1[N@H+](C[C@@]2(C)CCCNC2)CC12CCCC2 ZINC001575521897 962391308 /nfs/dbraw/zinc/39/13/08/962391308.db2.gz VSNHBRIDVMVNQO-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@@H]1[N@@H+](C[C@@]2(C)CCCNC2)CC12CCCC2 ZINC001575521897 962391334 /nfs/dbraw/zinc/39/13/34/962391334.db2.gz VSNHBRIDVMVNQO-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@@H](CN[C@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850314 962491718 /nfs/dbraw/zinc/49/17/18/962491718.db2.gz RYLPJNMDJFHDRN-CGTJXYLNSA-N 1 3 274.452 3.089 20 0 CGADHO C[C@@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@@H]1C[NH3+] ZINC001576731206 962495815 /nfs/dbraw/zinc/49/58/15/962495815.db2.gz GMKDOSOAKFYMKK-NEPJUHHUSA-N 1 3 290.432 3.024 20 0 CGADHO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC001577375382 962534704 /nfs/dbraw/zinc/53/47/04/962534704.db2.gz YFIHPLDSIVSMGP-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC001577375382 962534707 /nfs/dbraw/zinc/53/47/07/962534707.db2.gz YFIHPLDSIVSMGP-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[N@H+](CCc1cccs1)C[C@@H](CN)C(C)C ZINC001577523922 962554404 /nfs/dbraw/zinc/55/44/04/962554404.db2.gz MPAVXOZTKJRDSA-CQSZACIVSA-N 1 3 268.470 3.234 20 0 CGADHO CCC[N@@H+](CCc1cccs1)C[C@@H](CN)C(C)C ZINC001577523922 962554421 /nfs/dbraw/zinc/55/44/21/962554421.db2.gz MPAVXOZTKJRDSA-CQSZACIVSA-N 1 3 268.470 3.234 20 0 CGADHO CCN(Cc1ccc2ccccc2c1)CC1(C[NH3+])CC1 ZINC001577738242 962567354 /nfs/dbraw/zinc/56/73/54/962567354.db2.gz QGACIINDEBXDHN-UHFFFAOYSA-N 1 3 268.404 3.401 20 0 CGADHO CS[C@@H]1CCC[C@@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC001579370756 962623796 /nfs/dbraw/zinc/62/37/96/962623796.db2.gz VYBILVNTBLRTAK-HZSPNIEDSA-N 1 3 270.486 3.028 20 0 CGADHO Cc1cc(C)cc(CC[NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)c1 ZINC001579580352 962636450 /nfs/dbraw/zinc/63/64/50/962636450.db2.gz WCTAINMVAOFXFM-RCCFBDPRSA-N 1 3 286.463 3.212 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001579580352 962636460 /nfs/dbraw/zinc/63/64/60/962636460.db2.gz WCTAINMVAOFXFM-RCCFBDPRSA-N 1 3 286.463 3.212 20 0 CGADHO Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC001579697088 962654288 /nfs/dbraw/zinc/65/42/88/962654288.db2.gz WJWOMTDRTYQJSF-HIFRSBDPSA-N 1 3 266.816 3.256 20 0 CGADHO Cc1ccc(C2CC(NCC3([NH3+])CCCC3)C2)cc1 ZINC001579677712 962658045 /nfs/dbraw/zinc/65/80/45/962658045.db2.gz AXPRCWMFRRIISF-UHFFFAOYSA-N 1 3 258.409 3.102 20 0 CGADHO Cc1cccc(C)c1CN[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC001579754881 962669786 /nfs/dbraw/zinc/66/97/86/962669786.db2.gz LTEJFDJFCIRXIR-DOTOQJQBSA-N 1 3 260.425 3.301 20 0 CGADHO FC(F)n1cccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580024551 962685478 /nfs/dbraw/zinc/68/54/78/962685478.db2.gz ZZPNGLPMRPWIRJ-UONOGXRCSA-N 1 3 297.393 3.095 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001580266008 962706976 /nfs/dbraw/zinc/70/69/76/962706976.db2.gz WDDGVFOUDSOOGN-CQSZACIVSA-N 1 3 270.420 3.222 20 0 CGADHO [NH3+]CC1(CN2CCC[C@@H]2c2cccc(F)c2)CCC1 ZINC001580244467 962708071 /nfs/dbraw/zinc/70/80/71/962708071.db2.gz YAIWBTLCZPNJIF-OAHLLOKOSA-N 1 3 262.372 3.092 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2CN[C@@H]2CCC[NH2+]C2)cc1 ZINC001580892999 962744763 /nfs/dbraw/zinc/74/47/63/962744763.db2.gz OXVODDQLZFCULN-KURKYZTESA-N 1 3 272.436 3.302 20 0 CGADHO C[N@H+](CCCN1CCCC1)CCSC1CCCCC1 ZINC000337476383 214106844 /nfs/dbraw/zinc/10/68/44/214106844.db2.gz SHRICIPSIOLPSQ-UHFFFAOYSA-N 1 3 284.513 3.470 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CCSC1CCCCC1 ZINC000337476383 214106846 /nfs/dbraw/zinc/10/68/46/214106846.db2.gz SHRICIPSIOLPSQ-UHFFFAOYSA-N 1 3 284.513 3.470 20 0 CGADHO CCN(CCOC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999407 346820782 /nfs/dbraw/zinc/82/07/82/346820782.db2.gz GGGPMFFXIKWEKS-UHFFFAOYSA-N 1 3 292.467 3.385 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000125302456 187179087 /nfs/dbraw/zinc/17/90/87/187179087.db2.gz WYVHSOIYXUBSSX-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000651865000 398298125 /nfs/dbraw/zinc/29/81/25/398298125.db2.gz KOTSJSABYVCZCI-RCCFBDPRSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CCC[C@@H](C)C1 ZINC000449764761 290019100 /nfs/dbraw/zinc/01/91/00/290019100.db2.gz DKSPGAWKLOCEAF-DRRXZNNHSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000337998563 214354067 /nfs/dbraw/zinc/35/40/67/214354067.db2.gz VHJPXHONXXYBJJ-OIISXLGYSA-N 1 3 264.457 3.275 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473167 529453748 /nfs/dbraw/zinc/45/37/48/529453748.db2.gz QOMGZYXLOOQDLT-KBPBESRZSA-N 1 3 252.789 3.118 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453145535 282190764 /nfs/dbraw/zinc/19/07/64/282190764.db2.gz WSPWFRZFOKHVGN-BZUAXINKSA-N 1 3 250.430 3.028 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453145538 282190943 /nfs/dbraw/zinc/19/09/43/282190943.db2.gz WSPWFRZFOKHVGN-OAGGEKHMSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)c1cccs1 ZINC000126091444 187215867 /nfs/dbraw/zinc/21/58/67/187215867.db2.gz MGJIHCLRUOXTNM-STQMWFEESA-N 1 3 266.454 3.133 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(CCSc3ccc(Cl)cc3)C[C@H]12 ZINC000351473283 219098737 /nfs/dbraw/zinc/09/87/37/219098737.db2.gz DHAKJGDQBBOPRL-BYCMXARLSA-N 1 3 296.867 3.101 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000423255685 290718830 /nfs/dbraw/zinc/71/88/30/290718830.db2.gz ANLDZOWJFDHRDH-LOWVWBTDSA-N 1 3 252.427 3.132 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000423267829 529998826 /nfs/dbraw/zinc/99/88/26/529998826.db2.gz FJFMOLIZPWPSDK-RYUDHWBXSA-N 1 3 266.454 3.133 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423269514 530000179 /nfs/dbraw/zinc/00/01/79/530000179.db2.gz HBOKSCIBBSWGJO-BJJXKVORSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423269514 530000180 /nfs/dbraw/zinc/00/01/80/530000180.db2.gz HBOKSCIBBSWGJO-BJJXKVORSA-N 1 3 280.843 3.421 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@H](CN)C2)c(C)c1 ZINC000044527668 345012155 /nfs/dbraw/zinc/01/21/55/345012155.db2.gz QRRSULBZKRZEJD-JKSUJKDBSA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](CN)C2)c(C)c1 ZINC000044527668 345012157 /nfs/dbraw/zinc/01/21/57/345012157.db2.gz QRRSULBZKRZEJD-JKSUJKDBSA-N 1 3 260.425 3.344 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000044534875 345013449 /nfs/dbraw/zinc/01/34/49/345013449.db2.gz YMHFVIBZFIBHSO-QWHCGFSZSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534875 345013451 /nfs/dbraw/zinc/01/34/51/345013451.db2.gz YMHFVIBZFIBHSO-QWHCGFSZSA-N 1 3 266.816 3.332 20 0 CGADHO CC/C=C/CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000295105544 199346964 /nfs/dbraw/zinc/34/69/64/199346964.db2.gz VNKXWPNZURBZRG-XVNBXDOJSA-N 1 3 272.436 3.249 20 0 CGADHO C[NH+](C)CCC1CCN(CCc2ccccc2F)CC1 ZINC000137574418 232201541 /nfs/dbraw/zinc/20/15/41/232201541.db2.gz LWRQKMVHQKTZSQ-UHFFFAOYSA-N 1 3 278.415 3.032 20 0 CGADHO c1cc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000086252203 345749042 /nfs/dbraw/zinc/74/90/42/345749042.db2.gz WLGJHLAJKMFZJY-GOSISDBHSA-N 1 3 283.419 3.017 20 0 CGADHO c1cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000086252203 345749043 /nfs/dbraw/zinc/74/90/43/345749043.db2.gz WLGJHLAJKMFZJY-GOSISDBHSA-N 1 3 283.419 3.017 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091305990 345810599 /nfs/dbraw/zinc/81/05/99/345810599.db2.gz KUMIYBWLRBKRKV-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)Oc1cccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093212339 345873000 /nfs/dbraw/zinc/87/30/00/345873000.db2.gz NKYQXIJQBRBKMX-CWRNSKLLSA-N 1 3 276.424 3.394 20 0 CGADHO Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000094952971 345899278 /nfs/dbraw/zinc/89/92/78/345899278.db2.gz LHJZJNKVBXBWEA-KWCYVHTRSA-N 1 3 250.361 3.055 20 0 CGADHO CN(C)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000131173593 346063089 /nfs/dbraw/zinc/06/30/89/346063089.db2.gz YCEHJFMVIRJRAQ-UHFFFAOYSA-N 1 3 292.492 3.336 20 0 CGADHO CC(C)CCn1cccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000161630905 346176412 /nfs/dbraw/zinc/17/64/12/346176412.db2.gz XRJHMYIXVUEALR-MRXNPFEDSA-N 1 3 289.467 3.108 20 0 CGADHO CC(C)[NH+]1CCC(N(C)CCc2ccccc2)CC1 ZINC000167787137 346189061 /nfs/dbraw/zinc/18/90/61/346189061.db2.gz CIGMRJBENJPWOO-UHFFFAOYSA-N 1 3 260.425 3.034 20 0 CGADHO [NH3+]Cc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000167984130 346189837 /nfs/dbraw/zinc/18/98/37/346189837.db2.gz LATQUSVVAAOOMZ-UHFFFAOYSA-N 1 3 294.320 3.454 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000232645710 346327264 /nfs/dbraw/zinc/32/72/64/346327264.db2.gz JCOPIRIGBYFUHA-XIRDDKMYSA-N 1 3 264.457 3.299 20 0 CGADHO C[C@@H](CSCCF)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000595011389 347256431 /nfs/dbraw/zinc/25/64/31/347256431.db2.gz HGTFJKIVJFXNNU-ZDUSSCGKSA-N 1 3 288.476 3.074 20 0 CGADHO C[C@@H](CSCCF)NC1CC[NH+](C2CCCC2)CC1 ZINC000595011389 347256434 /nfs/dbraw/zinc/25/64/34/347256434.db2.gz HGTFJKIVJFXNNU-ZDUSSCGKSA-N 1 3 288.476 3.074 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595020986 347259520 /nfs/dbraw/zinc/25/95/20/347259520.db2.gz BSHPQIWHPVZWNM-CABCVRRESA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)CSCCF)C1 ZINC000595020986 347259521 /nfs/dbraw/zinc/25/95/21/347259521.db2.gz BSHPQIWHPVZWNM-CABCVRRESA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)CSCCF)C1 ZINC000595020986 347259525 /nfs/dbraw/zinc/25/95/25/347259525.db2.gz BSHPQIWHPVZWNM-CABCVRRESA-N 1 3 290.492 3.035 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120952 349978987 /nfs/dbraw/zinc/97/89/87/349978987.db2.gz KQBYRZFKEQABIZ-KBPBESRZSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccsc1 ZINC000624121372 349979068 /nfs/dbraw/zinc/97/90/68/349979068.db2.gz UVYPJTMTQROROV-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)s1 ZINC000624120778 349978551 /nfs/dbraw/zinc/97/85/51/349978551.db2.gz GVIZGTNBWLCKDY-TZMCWYRMSA-N 1 3 295.496 3.396 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCC1 ZINC000624123025 349981225 /nfs/dbraw/zinc/98/12/25/349981225.db2.gz DKABVFPDIXUALX-GOEBONIOSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1N(C)C ZINC000624122193 349980299 /nfs/dbraw/zinc/98/02/99/349980299.db2.gz MAZRJTKKQDWAJF-CVEARBPZSA-N 1 3 289.467 3.135 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000604416903 348119566 /nfs/dbraw/zinc/11/95/66/348119566.db2.gz OCFBQKFOSBVXEU-OAHLLOKOSA-N 1 3 292.467 3.399 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123468 349983271 /nfs/dbraw/zinc/98/32/71/349983271.db2.gz MHWOIUAJFORCCD-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000624123218 349982642 /nfs/dbraw/zinc/98/26/42/349982642.db2.gz IEAVBGNIEHHVEY-WMLDXEAASA-N 1 3 288.435 3.091 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339430766 215165385 /nfs/dbraw/zinc/16/53/85/215165385.db2.gz MUBUKWLSGUZKDB-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339430766 215165386 /nfs/dbraw/zinc/16/53/86/215165386.db2.gz MUBUKWLSGUZKDB-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO CCc1ccccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339436277 215170159 /nfs/dbraw/zinc/17/01/59/215170159.db2.gz GHNKYHYRBXBCGX-SFHVURJKSA-N 1 3 272.436 3.167 20 0 CGADHO CCc1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339436277 215170162 /nfs/dbraw/zinc/17/01/62/215170162.db2.gz GHNKYHYRBXBCGX-SFHVURJKSA-N 1 3 272.436 3.167 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000128859214 187395391 /nfs/dbraw/zinc/39/53/91/187395391.db2.gz DGFJMBZQZUFRSC-CYBMUJFWSA-N 1 3 287.234 3.268 20 0 CGADHO c1ccc([C@@H](NCCC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000359224362 233281219 /nfs/dbraw/zinc/28/12/19/233281219.db2.gz SIVVYSNOAKROGE-LJQANCHMSA-N 1 3 295.430 3.150 20 0 CGADHO Cc1nc(C)c(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000628202828 350439008 /nfs/dbraw/zinc/43/90/08/350439008.db2.gz JIQAPPAPAXGOIM-ZDUSSCGKSA-N 1 3 279.428 3.036 20 0 CGADHO Cc1nc(C)c(CNCCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000628202828 350439010 /nfs/dbraw/zinc/43/90/10/350439010.db2.gz JIQAPPAPAXGOIM-ZDUSSCGKSA-N 1 3 279.428 3.036 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628208147 350440380 /nfs/dbraw/zinc/44/03/80/350440380.db2.gz AHWMMQHASVXHDI-IRXDYDNUSA-N 1 3 274.452 3.420 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000628425298 350535477 /nfs/dbraw/zinc/53/54/77/350535477.db2.gz GRTHLXQUFBHMFU-NXHRZFHOSA-N 1 3 272.436 3.112 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000628425852 350536858 /nfs/dbraw/zinc/53/68/58/350536858.db2.gz XPUUZSULCFHUSQ-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNCCc2cccc(Cl)c2)C1 ZINC000628425852 350536860 /nfs/dbraw/zinc/53/68/60/350536860.db2.gz XPUUZSULCFHUSQ-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNCCc2cccc(Cl)c2)C1 ZINC000628425852 350536863 /nfs/dbraw/zinc/53/68/63/350536863.db2.gz XPUUZSULCFHUSQ-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629564899 350713941 /nfs/dbraw/zinc/71/39/41/350713941.db2.gz VPUVZZFYBGMCAB-UONOGXRCSA-N 1 3 292.389 3.416 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000629406243 350689397 /nfs/dbraw/zinc/68/93/97/350689397.db2.gz LJCXTXRYYXYVTD-LLLHUVSDSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)(C)C ZINC000629656416 350731447 /nfs/dbraw/zinc/73/14/47/350731447.db2.gz OIEYYISJRZCUDA-IJLUTSLNSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1)C(C)(C)C ZINC000629656416 350731448 /nfs/dbraw/zinc/73/14/48/350731448.db2.gz OIEYYISJRZCUDA-IJLUTSLNSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CN)C1)C(C)(C)C ZINC000629656416 350731450 /nfs/dbraw/zinc/73/14/50/350731450.db2.gz OIEYYISJRZCUDA-IJLUTSLNSA-N 1 3 280.378 3.128 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631056308 350939339 /nfs/dbraw/zinc/93/93/39/350939339.db2.gz GILSUNXURYVIJF-AWEZNQCLSA-N 1 3 266.454 3.186 20 0 CGADHO Cc1cc(C)c(/C=C/CNC2CC[NH+](C)CC2)c(C)c1 ZINC000631035547 350931785 /nfs/dbraw/zinc/93/17/85/350931785.db2.gz LLAFDMCYFOPHHD-AATRIKPKSA-N 1 3 272.436 3.309 20 0 CGADHO CCC[NH+]1CCC(CNCc2ccc(C(F)F)nc2)CC1 ZINC000631065845 350941793 /nfs/dbraw/zinc/94/17/93/350941793.db2.gz VAFKUBKUFXGCCR-UHFFFAOYSA-N 1 3 297.393 3.231 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@@H]2CCC[C@H]21 ZINC000631685068 351118939 /nfs/dbraw/zinc/11/89/39/351118939.db2.gz WTRGNYRILODCSR-JENIJYKNSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@@H]2CCC[C@H]21 ZINC000631685068 351118943 /nfs/dbraw/zinc/11/89/43/351118943.db2.gz WTRGNYRILODCSR-JENIJYKNSA-N 1 3 295.430 3.197 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2ccc3ncccc3c2)C1 ZINC000634733177 351577948 /nfs/dbraw/zinc/57/79/48/351577948.db2.gz YWQDIDOUAGLZLB-MRXNPFEDSA-N 1 3 283.419 3.103 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733727 351579764 /nfs/dbraw/zinc/57/97/64/351579764.db2.gz MCPZTCCFCQTOKR-JKSUJKDBSA-N 1 3 292.854 3.175 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733727 351579765 /nfs/dbraw/zinc/57/97/65/351579765.db2.gz MCPZTCCFCQTOKR-JKSUJKDBSA-N 1 3 292.854 3.175 20 0 CGADHO CC(C)c1nc([C@@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000635007413 351625428 /nfs/dbraw/zinc/62/54/28/351625428.db2.gz WFLZFFKDHUMNDL-JHJVBQTASA-N 1 3 281.469 3.435 20 0 CGADHO Fc1ccc2c(c1)[C@H](NCc1cccc3c1CC[NH2+]C3)CC2 ZINC000635012504 351630915 /nfs/dbraw/zinc/63/09/15/351630915.db2.gz VIZJLGCORHVCEX-LJQANCHMSA-N 1 3 296.389 3.249 20 0 CGADHO CCc1cc(NC2CC[NH+](C)CC2)c2ccccc2n1 ZINC000123110541 187071537 /nfs/dbraw/zinc/07/15/37/187071537.db2.gz GAICVZLUPAQGCS-UHFFFAOYSA-N 1 3 269.392 3.303 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123171959 187075936 /nfs/dbraw/zinc/07/59/36/187075936.db2.gz GJJUNWGWVDVILD-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123171959 187075937 /nfs/dbraw/zinc/07/59/37/187075937.db2.gz GJJUNWGWVDVILD-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113417 198167649 /nfs/dbraw/zinc/16/76/49/198167649.db2.gz JHSZFMCRNTVZPR-YOEHRIQHSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113417 198167650 /nfs/dbraw/zinc/16/76/50/198167650.db2.gz JHSZFMCRNTVZPR-YOEHRIQHSA-N 1 3 292.854 3.471 20 0 CGADHO COc1ccccc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414176587 235354714 /nfs/dbraw/zinc/35/47/14/235354714.db2.gz JEBIKKJSKVXIMK-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO COc1ccccc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414176587 235354715 /nfs/dbraw/zinc/35/47/15/235354715.db2.gz JEBIKKJSKVXIMK-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO Cc1ccsc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414812116 235471523 /nfs/dbraw/zinc/47/15/23/235471523.db2.gz QWLNRWJJGXWABU-GFCCVEGCSA-N 1 3 260.406 3.366 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000093488703 138346215 /nfs/dbraw/zinc/34/62/15/138346215.db2.gz YCFWNQVVZOFGQK-BPKGMFCQSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000093495781 138346742 /nfs/dbraw/zinc/34/67/42/138346742.db2.gz BQVTVXVCVBALLF-YOEHRIQHSA-N 1 3 278.415 3.269 20 0 CGADHO Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000134200362 138414174 /nfs/dbraw/zinc/41/41/74/138414174.db2.gz MOHGZUCTENPVBD-UHFFFAOYSA-N 1 3 278.465 3.364 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422864793 235933115 /nfs/dbraw/zinc/93/31/15/235933115.db2.gz WCJHIOLGERZVCL-DOTOQJQBSA-N 1 3 274.452 3.250 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890205 235937831 /nfs/dbraw/zinc/93/78/31/235937831.db2.gz HWVMTSATQKEXLK-OALUTQOASA-N 1 3 296.414 3.235 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423224463 236001189 /nfs/dbraw/zinc/00/11/89/236001189.db2.gz JHAZGCRPTVEBSL-XHDPSFHLSA-N 1 3 266.816 3.434 20 0 CGADHO Cc1c([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cnn1C(C)(C)C ZINC000423283774 236022814 /nfs/dbraw/zinc/02/28/14/236022814.db2.gz WFOUIABBMLTEJA-NOLJZWGESA-N 1 3 292.471 3.115 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423294628 236027464 /nfs/dbraw/zinc/02/74/64/236027464.db2.gz CLQVXPIPQRVDRY-GHMZBOCLSA-N 1 3 288.407 3.289 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423300234 236030402 /nfs/dbraw/zinc/03/04/02/236030402.db2.gz CUAXENTYDXBGTF-UXIGCNINSA-N 1 3 266.816 3.161 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000423268063 236015628 /nfs/dbraw/zinc/01/56/28/236015628.db2.gz DKVZYPDQLLGOSG-OUCADQQQSA-N 1 3 252.427 3.225 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000423393427 236061969 /nfs/dbraw/zinc/06/19/69/236061969.db2.gz MFSAQPUKAKYWCA-VVLHAWIVSA-N 1 3 287.451 3.004 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000423357773 236048988 /nfs/dbraw/zinc/04/89/88/236048988.db2.gz ARBYQFYNLJDDMA-HQLVEWEZSA-N 1 3 288.435 3.047 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423368573 236053412 /nfs/dbraw/zinc/05/34/12/236053412.db2.gz BEOGKZIQEQSIFB-INMHGKMJSA-N 1 3 272.436 3.411 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423449745 236074610 /nfs/dbraw/zinc/07/46/10/236074610.db2.gz RZMWUYROFZVTCG-IHRRRGAJSA-N 1 3 269.392 3.135 20 0 CGADHO Cc1cc(C)c([C@@H](C)[NH2+]CCCNC2CC2)cc1C ZINC000423525371 236091780 /nfs/dbraw/zinc/09/17/80/236091780.db2.gz KLDYKVZIWIIAJB-OAHLLOKOSA-N 1 3 260.425 3.405 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCNC1CC1)CCC2 ZINC000423521232 236092581 /nfs/dbraw/zinc/09/25/81/236092581.db2.gz GDZMTOSDUMAEIF-KRWDZBQOSA-N 1 3 258.409 3.104 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccsc1 ZINC000294383119 199018997 /nfs/dbraw/zinc/01/89/97/199018997.db2.gz INBFABSEHFDDJH-JSGCOSHPSA-N 1 3 252.427 3.131 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423059763 296020865 /nfs/dbraw/zinc/02/08/65/296020865.db2.gz GLOZKWYKJHKRRY-OLZOCXBDSA-N 1 3 296.405 3.492 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000180757865 189273541 /nfs/dbraw/zinc/27/35/41/189273541.db2.gz BWVGSZDCCRRUEP-JKSUJKDBSA-N 1 3 290.451 3.261 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000180757865 189273542 /nfs/dbraw/zinc/27/35/42/189273542.db2.gz BWVGSZDCCRRUEP-JKSUJKDBSA-N 1 3 290.451 3.261 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000449176104 239222853 /nfs/dbraw/zinc/22/28/53/239222853.db2.gz RZKOFUWGHJWXOY-CVEARBPZSA-N 1 3 272.392 3.395 20 0 CGADHO Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000302210514 201399257 /nfs/dbraw/zinc/39/92/57/201399257.db2.gz CMNKKAWWGBIOPK-UHFFFAOYSA-N 1 3 299.393 3.241 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C1CCCCC1 ZINC000423391842 283940761 /nfs/dbraw/zinc/94/07/61/283940761.db2.gz LEBDZHUFDDFFTB-BPUTZDHNSA-N 1 3 252.446 3.323 20 0 CGADHO CC[NH+]1CCC(Nc2c(C)cnc3c(C)cccc32)CC1 ZINC000462440078 242344127 /nfs/dbraw/zinc/34/41/27/242344127.db2.gz JBYQONNCVPPCKZ-UHFFFAOYSA-N 1 3 283.419 3.170 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477949780 243062463 /nfs/dbraw/zinc/06/24/63/243062463.db2.gz XNEGHPMSXGMXAT-OAHLLOKOSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477949780 243062470 /nfs/dbraw/zinc/06/24/70/243062470.db2.gz XNEGHPMSXGMXAT-OAHLLOKOSA-N 1 3 292.442 3.468 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000480671480 243159346 /nfs/dbraw/zinc/15/93/46/243159346.db2.gz NAVSJFNHYYLTRQ-PBHICJAKSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000480671480 243159352 /nfs/dbraw/zinc/15/93/52/243159352.db2.gz NAVSJFNHYYLTRQ-PBHICJAKSA-N 1 3 260.425 3.382 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000423224177 296126472 /nfs/dbraw/zinc/12/64/72/296126472.db2.gz ILFRESBAESFIIQ-SDDRHHMPSA-N 1 3 277.437 3.115 20 0 CGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN(C)C ZINC000037213749 369077209 /nfs/dbraw/zinc/07/72/09/369077209.db2.gz VOSPIZSFFXIGEX-NSHDSACASA-N 1 3 283.485 3.351 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(SC)cc2)C1 ZINC000037644123 369093560 /nfs/dbraw/zinc/09/35/60/369093560.db2.gz RMYFFALFEKTQJE-UONOGXRCSA-N 1 3 278.465 3.401 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037648867 369095257 /nfs/dbraw/zinc/09/52/57/369095257.db2.gz RQRJZADIWUZDCW-HUUCEWRRSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037648867 369095264 /nfs/dbraw/zinc/09/52/64/369095264.db2.gz RQRJZADIWUZDCW-HUUCEWRRSA-N 1 3 258.409 3.130 20 0 CGADHO C[C@@H](C[NH2+]C1CCCCCC1)CN1CCCCC1 ZINC000037997605 369135802 /nfs/dbraw/zinc/13/58/02/369135802.db2.gz XORWWILFYKQEPK-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049553324 369408708 /nfs/dbraw/zinc/40/87/08/369408708.db2.gz DVZFTNWUJIGQJZ-KGLIPLIRSA-N 1 3 264.413 3.076 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNC[C@@H]2CCC=CO2)cc1 ZINC000050267690 369433625 /nfs/dbraw/zinc/43/36/25/369433625.db2.gz XKMDHHQCVKDCQB-SFHVURJKSA-N 1 3 288.435 3.311 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C[C@@H]1C ZINC000128051512 370959674 /nfs/dbraw/zinc/95/96/74/370959674.db2.gz UFGIIYXFMPRHRZ-LYYZXLFJSA-N 1 3 250.430 3.028 20 0 CGADHO Fc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000129003781 370970552 /nfs/dbraw/zinc/97/05/52/370970552.db2.gz NPPFJKJICYEAAC-LBPRGKRZSA-N 1 3 282.790 3.053 20 0 CGADHO CC(C)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000053660678 369488346 /nfs/dbraw/zinc/48/83/46/369488346.db2.gz MRAKGCNPRCFXKJ-UHFFFAOYSA-N 1 3 266.454 3.206 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000128964925 370968470 /nfs/dbraw/zinc/96/84/70/370968470.db2.gz OUDNZHOUANWPKO-RBSFLKMASA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](CNc1ccnc2ccccc21)C[NH+]1CCCC1 ZINC000062075273 369617271 /nfs/dbraw/zinc/61/72/71/369617271.db2.gz GTWXXHDSJGNERS-CQSZACIVSA-N 1 3 269.392 3.379 20 0 CGADHO CC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000062077514 369618034 /nfs/dbraw/zinc/61/80/34/369618034.db2.gz BVBFDJNAAURXCK-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccccc1 ZINC000062077514 369618037 /nfs/dbraw/zinc/61/80/37/369618037.db2.gz BVBFDJNAAURXCK-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CN(C)CCOCC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000219318185 376198314 /nfs/dbraw/zinc/19/83/14/376198314.db2.gz IZXWRCKWELSDMB-QGZVFWFLSA-N 1 3 292.467 3.332 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859560 369840418 /nfs/dbraw/zinc/84/04/18/369840418.db2.gz NKGAWFQNIYFSJW-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000072859560 369840425 /nfs/dbraw/zinc/84/04/25/369840425.db2.gz NKGAWFQNIYFSJW-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000070169363 369786292 /nfs/dbraw/zinc/78/62/92/369786292.db2.gz OPLMIYIEJRSMGU-VXGBXAGGSA-N 1 3 268.351 3.087 20 0 CGADHO C[C@@H](N[C@@H](c1ccccc1)C1CCCC1)C1C[NH2+]C1 ZINC000422788618 296154288 /nfs/dbraw/zinc/15/42/88/296154288.db2.gz SMWUWMXBBJGCAL-DYVFJYSZSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCCC1)C1CNC1 ZINC000422788618 296154289 /nfs/dbraw/zinc/15/42/89/296154289.db2.gz SMWUWMXBBJGCAL-DYVFJYSZSA-N 1 3 258.409 3.115 20 0 CGADHO CN(Cc1ccc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000110117006 370370499 /nfs/dbraw/zinc/37/04/99/370370499.db2.gz HTRHLUIOGUGPKR-UHFFFAOYSA-N 1 3 272.845 3.175 20 0 CGADHO CSCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000132478785 371177357 /nfs/dbraw/zinc/17/73/57/371177357.db2.gz UPNBIKZBDASREA-CQSZACIVSA-N 1 3 296.480 3.031 20 0 CGADHO CC[NH+](CC)CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000149221559 371527587 /nfs/dbraw/zinc/52/75/87/371527587.db2.gz VLXQLLYCKUQNGA-MRXNPFEDSA-N 1 3 280.843 3.129 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000149221559 371527592 /nfs/dbraw/zinc/52/75/92/371527592.db2.gz VLXQLLYCKUQNGA-MRXNPFEDSA-N 1 3 280.843 3.129 20 0 CGADHO CCC(CC)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000151290120 371589810 /nfs/dbraw/zinc/58/98/10/371589810.db2.gz HLYGMSQZDSGQCL-AWEZNQCLSA-N 1 3 278.440 3.466 20 0 CGADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1ccc(Cl)cn1 ZINC000421879678 371695105 /nfs/dbraw/zinc/69/51/05/371695105.db2.gz PKGCBZKIMNWVFV-LMWSTFAQSA-N 1 3 281.831 3.258 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118025 371750769 /nfs/dbraw/zinc/75/07/69/371750769.db2.gz DGMOKJQLEQOMCR-KBXCAEBGSA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118025 371750772 /nfs/dbraw/zinc/75/07/72/371750772.db2.gz DGMOKJQLEQOMCR-KBXCAEBGSA-N 1 3 297.446 3.477 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000289118025 371750776 /nfs/dbraw/zinc/75/07/76/371750776.db2.gz DGMOKJQLEQOMCR-KBXCAEBGSA-N 1 3 297.446 3.477 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000422764609 371791821 /nfs/dbraw/zinc/79/18/21/371791821.db2.gz JZKGOEUCLORDER-WFASDCNBSA-N 1 3 298.883 3.410 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422690851 371756146 /nfs/dbraw/zinc/75/61/46/371756146.db2.gz HAWDMKNUZMXFIZ-OKZBNKHCSA-N 1 3 272.436 3.314 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422752169 371783789 /nfs/dbraw/zinc/78/37/89/371783789.db2.gz APWKSFMVASMAIG-DJIMGWMZSA-N 1 3 260.425 3.206 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1cccc(Cl)c1 ZINC000422826867 371830997 /nfs/dbraw/zinc/83/09/97/371830997.db2.gz RIGWIIXVPLCBFC-DOMZBBRYSA-N 1 3 280.843 3.335 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)CCCC2 ZINC000422767913 371794932 /nfs/dbraw/zinc/79/49/32/371794932.db2.gz NFDFACWUANRERO-MELADBBJSA-N 1 3 260.425 3.342 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774913 371799390 /nfs/dbraw/zinc/79/93/90/371799390.db2.gz YXTKTYFLVRZSKY-BBRMVZONSA-N 1 3 292.854 3.479 20 0 CGADHO CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1ccc(Cl)cc1 ZINC000422785251 371806099 /nfs/dbraw/zinc/80/60/99/371806099.db2.gz NCDMZZOFNRFJKD-HRCADAONSA-N 1 3 296.842 3.277 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Sc1ccccc1 ZINC000422788872 371809396 /nfs/dbraw/zinc/80/93/96/371809396.db2.gz NTJGKHYEWXXBCM-SQWLQELKSA-N 1 3 278.465 3.145 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422806001 371820821 /nfs/dbraw/zinc/82/08/21/371820821.db2.gz HOKKURCIAUPCKS-RDJZCZTQSA-N 1 3 272.436 3.086 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)C[C@@H](C)N)cc1 ZINC000422804583 371821130 /nfs/dbraw/zinc/82/11/30/371821130.db2.gz HPFPLTMKZGNWHT-ATLSCFEFSA-N 1 3 290.451 3.178 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422804583 371821135 /nfs/dbraw/zinc/82/11/35/371821135.db2.gz HPFPLTMKZGNWHT-ATLSCFEFSA-N 1 3 290.451 3.178 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000422839362 371835008 /nfs/dbraw/zinc/83/50/08/371835008.db2.gz ZZZFXSBOAVRCQO-AWEZNQCLSA-N 1 3 297.446 3.477 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000422811693 371824908 /nfs/dbraw/zinc/82/49/08/371824908.db2.gz VEUGAKIUAUOJIX-DNVCBOLYSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000422881280 371852081 /nfs/dbraw/zinc/85/20/81/371852081.db2.gz YPXZXGUQPKGHEB-ZNMIVQPWSA-N 1 3 275.440 3.063 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cccc(-c2ccccc2)c1 ZINC000422883418 371854106 /nfs/dbraw/zinc/85/41/06/371854106.db2.gz BYVXOSHGKFIKRX-RTBURBONSA-N 1 3 280.415 3.366 20 0 CGADHO CCC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCCC1 ZINC000422889712 371855024 /nfs/dbraw/zinc/85/50/24/371855024.db2.gz QHVJQIPIUGGYFK-ZDUSSCGKSA-N 1 3 275.440 3.470 20 0 CGADHO Cc1ccc(OCCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422899034 371860726 /nfs/dbraw/zinc/86/07/26/371860726.db2.gz NJKXECXUSDLUCL-SJPCQFCGSA-N 1 3 288.435 3.027 20 0 CGADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000036952713 541860106 /nfs/dbraw/zinc/86/01/06/541860106.db2.gz PSJRNZDUXIPNBV-RYUDHWBXSA-N 1 3 282.378 3.346 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(F)c2)CCCCC1 ZINC000422907771 371862761 /nfs/dbraw/zinc/86/27/61/371862761.db2.gz XMAULCJZRMOWFC-IAGOWNOFSA-N 1 3 290.426 3.497 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1Cl ZINC000422919409 371869951 /nfs/dbraw/zinc/86/99/51/371869951.db2.gz JXQWLIWWVFELAM-NFAWXSAZSA-N 1 3 296.842 3.085 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1cccc(Cl)c1 ZINC000422921090 371870143 /nfs/dbraw/zinc/87/01/43/371870143.db2.gz OUKGXONPMVKYES-BZUAXINKSA-N 1 3 296.842 3.277 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948008 371886390 /nfs/dbraw/zinc/88/63/90/371886390.db2.gz RJQPERMHYXEGPE-QAPCUYQASA-N 1 3 288.435 3.225 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422931205 371877365 /nfs/dbraw/zinc/87/73/65/371877365.db2.gz AZZITCYRJZFMQU-FUHWJXTLSA-N 1 3 268.404 3.099 20 0 CGADHO Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422933071 371877905 /nfs/dbraw/zinc/87/79/05/371877905.db2.gz BDWPPAHJKHRNIZ-ZWKOTPCHSA-N 1 3 296.414 3.417 20 0 CGADHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000422932977 371878438 /nfs/dbraw/zinc/87/84/38/371878438.db2.gz BACLATJETLJFHW-SUNYJGFJSA-N 1 3 272.436 3.214 20 0 CGADHO Cc1ccccc1OCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422945266 371884508 /nfs/dbraw/zinc/88/45/08/371884508.db2.gz NHOTYAYKAMNQGX-DLBZAZTESA-N 1 3 282.387 3.108 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)C1=CCCCC1 ZINC000423049104 371934785 /nfs/dbraw/zinc/93/47/85/371934785.db2.gz IYUOHRVLCDSZCQ-UKRRQHHQSA-N 1 3 250.430 3.230 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423056323 371937578 /nfs/dbraw/zinc/93/75/78/371937578.db2.gz XZFFUPQAVKMVJK-QWHCGFSZSA-N 1 3 296.405 3.345 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422964840 371894345 /nfs/dbraw/zinc/89/43/45/371894345.db2.gz JWMRLZDGTIIFAZ-ZVZYQTTQSA-N 1 3 295.430 3.446 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422968207 371894377 /nfs/dbraw/zinc/89/43/77/371894377.db2.gz QQYWODCKRJBMAO-QAETUUGQSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422977399 371899094 /nfs/dbraw/zinc/89/90/94/371899094.db2.gz KAIKWLLPRPERLA-UUWFMWQGSA-N 1 3 282.387 3.058 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2Cc3ccccc3C2)c2ccccc21 ZINC000422983862 371900778 /nfs/dbraw/zinc/90/07/78/371900778.db2.gz VLUHCZXVWMNNJC-RBUKOAKNSA-N 1 3 278.399 3.136 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422982477 371900995 /nfs/dbraw/zinc/90/09/95/371900995.db2.gz QVPOGFNDCQSYOG-DAYGRLMNSA-N 1 3 290.451 3.186 20 0 CGADHO Cc1ccc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422984016 371901806 /nfs/dbraw/zinc/90/18/06/371901806.db2.gz WHIPTSQYTKMUJP-QZTJIDSGSA-N 1 3 266.388 3.272 20 0 CGADHO CCCOc1cccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422988563 371903805 /nfs/dbraw/zinc/90/38/05/371903805.db2.gz JGPDUSPFSAKWAC-ZWKOTPCHSA-N 1 3 290.451 3.268 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422986443 371904093 /nfs/dbraw/zinc/90/40/93/371904093.db2.gz GUSDIGBJDGDXSB-WMLDXEAASA-N 1 3 290.426 3.126 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)C1CCCC1 ZINC000423001034 371909586 /nfs/dbraw/zinc/90/95/86/371909586.db2.gz HKFXSFXHXPWGOO-DZGCQCFKSA-N 1 3 252.446 3.310 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)C1CCCC1 ZINC000423001035 371910671 /nfs/dbraw/zinc/91/06/71/371910671.db2.gz HKFXSFXHXPWGOO-HIFRSBDPSA-N 1 3 252.446 3.310 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423007037 371912463 /nfs/dbraw/zinc/91/24/63/371912463.db2.gz XBIRSYROBQGUBS-HZSPNIEDSA-N 1 3 266.454 3.273 20 0 CGADHO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)C[C@@H](C)N ZINC000423007037 371912472 /nfs/dbraw/zinc/91/24/72/371912472.db2.gz XBIRSYROBQGUBS-HZSPNIEDSA-N 1 3 266.454 3.273 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423020576 371918229 /nfs/dbraw/zinc/91/82/29/371918229.db2.gz CANLTWYKYHBRLO-XHDPSFHLSA-N 1 3 296.817 3.228 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423020576 371918238 /nfs/dbraw/zinc/91/82/38/371918238.db2.gz CANLTWYKYHBRLO-XHDPSFHLSA-N 1 3 296.817 3.228 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1cccc(F)c1F ZINC000423025431 371922596 /nfs/dbraw/zinc/92/25/96/371922596.db2.gz OFCKKNUICCPRQU-GHMZBOCLSA-N 1 3 256.340 3.133 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423033749 371926293 /nfs/dbraw/zinc/92/62/93/371926293.db2.gz ZWOQYSPMIGSNLI-CZUORRHYSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423033749 371926296 /nfs/dbraw/zinc/92/62/96/371926296.db2.gz ZWOQYSPMIGSNLI-CZUORRHYSA-N 1 3 292.854 3.349 20 0 CGADHO COC1CCC(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423040514 371928358 /nfs/dbraw/zinc/92/83/58/371928358.db2.gz UJNZZCZBDIZSOH-VKYMVXLJSA-N 1 3 288.435 3.316 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096918 371961443 /nfs/dbraw/zinc/96/14/43/371961443.db2.gz PZAAAUDLNMEWSR-VMUDFCTBSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096918 371961452 /nfs/dbraw/zinc/96/14/52/371961452.db2.gz PZAAAUDLNMEWSR-VMUDFCTBSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423123363 371976074 /nfs/dbraw/zinc/97/60/74/371976074.db2.gz MMNAGENLFNSPRE-OUCADQQQSA-N 1 3 288.357 3.123 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC1(C)C ZINC000423127580 371981107 /nfs/dbraw/zinc/98/11/07/371981107.db2.gz CCUWWRPUPCAQTO-TZMCWYRMSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423158267 371996054 /nfs/dbraw/zinc/99/60/54/371996054.db2.gz NTQDMUGHZRRWGL-CYDGBPFRSA-N 1 3 278.362 3.228 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCCN1 ZINC000423158267 371996058 /nfs/dbraw/zinc/99/60/58/371996058.db2.gz NTQDMUGHZRRWGL-CYDGBPFRSA-N 1 3 278.362 3.228 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423162318 371998357 /nfs/dbraw/zinc/99/83/57/371998357.db2.gz PBQMCIKYCGEPOS-STQMWFEESA-N 1 3 296.405 3.345 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@H]2CCC[C@@H]2CN)[C@@H]1c1ccccc1 ZINC000423167369 371999619 /nfs/dbraw/zinc/99/96/19/371999619.db2.gz DYMDOVYGJHIZSA-QZWWFDLISA-N 1 3 272.436 3.143 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423169347 371999630 /nfs/dbraw/zinc/99/96/30/371999630.db2.gz JGHBUZLGLIWOGM-XOYOTBSWSA-N 1 3 286.463 3.404 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CNC1 ZINC000423168953 372000642 /nfs/dbraw/zinc/00/06/42/372000642.db2.gz VNDJHNSERQMFHM-GHJWDPDVSA-N 1 3 278.827 3.174 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1ccc(Cl)cc1 ZINC000423074688 371949575 /nfs/dbraw/zinc/94/95/75/371949575.db2.gz MPHNVXYOGWEOGZ-HEHGZKQESA-N 1 3 296.842 3.214 20 0 CGADHO C[C@@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423074688 371949580 /nfs/dbraw/zinc/94/95/80/371949580.db2.gz MPHNVXYOGWEOGZ-HEHGZKQESA-N 1 3 296.842 3.214 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@@H]2CCNCC[C@@H]2C)c1C ZINC000423081326 371952265 /nfs/dbraw/zinc/95/22/65/371952265.db2.gz CUGVJQJSMDAHAR-DOTOQJQBSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(OCCCN[C@@H]2CC[NH2+]CC[C@@H]2C)c1C ZINC000423081326 371952275 /nfs/dbraw/zinc/95/22/75/371952275.db2.gz CUGVJQJSMDAHAR-DOTOQJQBSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H](C)C[C@@H](C)N)CCC2)cc1C ZINC000423084885 371954426 /nfs/dbraw/zinc/95/44/26/371954426.db2.gz IWGSSLCLYUOCLI-CVEARBPZSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C2(CN[C@@H](C)C[C@@H](C)[NH3+])CCC2)cc1C ZINC000423084885 371954428 /nfs/dbraw/zinc/95/44/28/371954428.db2.gz IWGSSLCLYUOCLI-CVEARBPZSA-N 1 3 274.452 3.441 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCc3sccc32)CCCCC1 ZINC000423187900 372014859 /nfs/dbraw/zinc/01/48/59/372014859.db2.gz YLNIOKQFSZPORH-CYBMUJFWSA-N 1 3 264.438 3.377 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423194753 372019633 /nfs/dbraw/zinc/01/96/33/372019633.db2.gz YPKOYLOHWSMUKD-AWEZNQCLSA-N 1 3 276.424 3.268 20 0 CGADHO CNCCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423198067 372022805 /nfs/dbraw/zinc/02/28/05/372022805.db2.gz CUSDKZLJBZAFEW-HIFRSBDPSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423198067 372022812 /nfs/dbraw/zinc/02/28/12/372022812.db2.gz CUSDKZLJBZAFEW-HIFRSBDPSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@@H]1CCNC1 ZINC000423201582 372024784 /nfs/dbraw/zinc/02/47/84/372024784.db2.gz JAHBAMLINKKLIW-HZPDHXFCSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCCCCC1)c1cccs1 ZINC000423200729 372025239 /nfs/dbraw/zinc/02/52/39/372025239.db2.gz MYVCFSQFBCEPAM-LBPRGKRZSA-N 1 3 252.427 3.450 20 0 CGADHO COc1ccc2cc([C@@H](C)NC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423206036 372029079 /nfs/dbraw/zinc/02/90/79/372029079.db2.gz FPXYTCXBTMZLQN-HUUCEWRRSA-N 1 3 298.430 3.499 20 0 CGADHO Cc1cc(OCCC[C@@H](C)[NH2+][C@H]2CCNC2)ccc1Cl ZINC000423209478 372032794 /nfs/dbraw/zinc/03/27/94/372032794.db2.gz GFEBNUGCISOXDE-KGLIPLIRSA-N 1 3 296.842 3.147 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1C(C)(C)C1(C)C ZINC000423216503 372035787 /nfs/dbraw/zinc/03/57/87/372035787.db2.gz OPFSEJCCZJZCRG-YNEHKIRRSA-N 1 3 252.446 3.035 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423270701 372045887 /nfs/dbraw/zinc/04/58/87/372045887.db2.gz IDAUVJOFXXSMPG-XQQFMLRXSA-N 1 3 291.464 3.233 20 0 CGADHO CCO[C@H]1C[C@@H](NCC([NH3+])(CC)CC)C12CCCCC2 ZINC000423286859 372048144 /nfs/dbraw/zinc/04/81/44/372048144.db2.gz JDHIQGYVFNNQTO-CABCVRRESA-N 1 3 282.472 3.221 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423298642 372049600 /nfs/dbraw/zinc/04/96/00/372049600.db2.gz ALYBKPKYQPRFKA-IVMMDQJWSA-N 1 3 280.843 3.236 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(-c2ccccc2)s1 ZINC000423177497 372006794 /nfs/dbraw/zinc/00/67/94/372006794.db2.gz ATWXYSNIXYFKBV-GFCCVEGCSA-N 1 3 260.406 3.415 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCCNC2CC2)c2ccccc21 ZINC000423533561 372072466 /nfs/dbraw/zinc/07/24/66/372072466.db2.gz XWJHJAXHKJCTIK-INIZCTEOSA-N 1 3 258.409 3.141 20 0 CGADHO CCCOc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292879022 372237020 /nfs/dbraw/zinc/23/70/20/372237020.db2.gz XISVGPXHIYQHDD-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO CCCOc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292879022 372237026 /nfs/dbraw/zinc/23/70/26/372237026.db2.gz XISVGPXHIYQHDD-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO CC(C)CCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429043739 372307586 /nfs/dbraw/zinc/30/75/86/372307586.db2.gz IGPRMMJKSQNYLS-CALCHBBNSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)CN(C)C ZINC000293259022 372339195 /nfs/dbraw/zinc/33/91/95/372339195.db2.gz BYOAGDDRARZSES-NEPJUHHUSA-N 1 3 286.366 3.136 20 0 CGADHO CCSc1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430898836 372401817 /nfs/dbraw/zinc/40/18/17/372401817.db2.gz FHVSBPMMXVMRCJ-UHFFFAOYSA-N 1 3 290.476 3.374 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCCC1 ZINC000162589966 372406288 /nfs/dbraw/zinc/40/62/88/372406288.db2.gz MNDQBYDEDCTOAO-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1cccs1 ZINC000162687531 372410417 /nfs/dbraw/zinc/41/04/17/372410417.db2.gz JFLFGCPVNLMBEG-UONOGXRCSA-N 1 3 264.438 3.369 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1cccs1 ZINC000162687531 372410421 /nfs/dbraw/zinc/41/04/21/372410421.db2.gz JFLFGCPVNLMBEG-UONOGXRCSA-N 1 3 264.438 3.369 20 0 CGADHO CCCN(CCOc1cccc(CC)c1)C1CC[NH2+]CC1 ZINC000431086684 372425927 /nfs/dbraw/zinc/42/59/27/372425927.db2.gz RGKKHDAQVOAESL-UHFFFAOYSA-N 1 3 290.451 3.092 20 0 CGADHO CCC[N@H+](CCOc1cccc(CC)c1)C1CCNCC1 ZINC000431086684 372425929 /nfs/dbraw/zinc/42/59/29/372425929.db2.gz RGKKHDAQVOAESL-UHFFFAOYSA-N 1 3 290.451 3.092 20 0 CGADHO CCC[N@@H+](CCOc1cccc(CC)c1)C1CCNCC1 ZINC000431086684 372425931 /nfs/dbraw/zinc/42/59/31/372425931.db2.gz RGKKHDAQVOAESL-UHFFFAOYSA-N 1 3 290.451 3.092 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000163213714 372453551 /nfs/dbraw/zinc/45/35/51/372453551.db2.gz FCAIMNZAQGAHFD-IUODEOHRSA-N 1 3 294.439 3.294 20 0 CGADHO CN(CCc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435609866 372783947 /nfs/dbraw/zinc/78/39/47/372783947.db2.gz CQUIQLJPAOQRNY-LJQANCHMSA-N 1 3 282.431 3.456 20 0 CGADHO C[N@H+](CCc1ccc2ccccc2c1)[C@@H]1CCCNCC1 ZINC000435609866 372783955 /nfs/dbraw/zinc/78/39/55/372783955.db2.gz CQUIQLJPAOQRNY-LJQANCHMSA-N 1 3 282.431 3.456 20 0 CGADHO C[N@@H+](CCc1ccc2ccccc2c1)[C@@H]1CCCNCC1 ZINC000435609866 372783961 /nfs/dbraw/zinc/78/39/61/372783961.db2.gz CQUIQLJPAOQRNY-LJQANCHMSA-N 1 3 282.431 3.456 20 0 CGADHO C[NH2+]CCCN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000435878696 372823899 /nfs/dbraw/zinc/82/38/99/372823899.db2.gz FGHBFRQDGXFIDP-CHWSQXEVSA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000435878696 372823911 /nfs/dbraw/zinc/82/39/11/372823911.db2.gz FGHBFRQDGXFIDP-CHWSQXEVSA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000435878696 372823921 /nfs/dbraw/zinc/82/39/21/372823921.db2.gz FGHBFRQDGXFIDP-CHWSQXEVSA-N 1 3 268.832 3.373 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000344613131 217248659 /nfs/dbraw/zinc/24/86/59/217248659.db2.gz FCFKHSBLZIDDTL-BEFAXECRSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613131 217248662 /nfs/dbraw/zinc/24/86/62/217248662.db2.gz FCFKHSBLZIDDTL-BEFAXECRSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000344613132 217249604 /nfs/dbraw/zinc/24/96/04/217249604.db2.gz FCFKHSBLZIDDTL-DNVCBOLYSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613132 217249606 /nfs/dbraw/zinc/24/96/06/217249606.db2.gz FCFKHSBLZIDDTL-DNVCBOLYSA-N 1 3 295.430 3.321 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(C)ccn2)CC1 ZINC000353498603 220121633 /nfs/dbraw/zinc/12/16/33/220121633.db2.gz RQHSNOXGHCPTGL-HNNXBMFYSA-N 1 3 275.440 3.163 20 0 CGADHO Cc1ccccc1CCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442770140 373074666 /nfs/dbraw/zinc/07/46/66/373074666.db2.gz OYTXGVFAVMAXJA-JWTNVVGKSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc(SCCN2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000442787072 373082191 /nfs/dbraw/zinc/08/21/91/373082191.db2.gz HELNFLPQGRYPEN-CABCVRRESA-N 1 3 278.465 3.065 20 0 CGADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)cc(C)c1O ZINC000298354635 373300619 /nfs/dbraw/zinc/30/06/19/373300619.db2.gz XEICKKCJTQHGBR-UHFFFAOYSA-N 1 3 298.430 3.360 20 0 CGADHO COC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CCCC1 ZINC000446881687 373374233 /nfs/dbraw/zinc/37/42/33/373374233.db2.gz UJZIMYBGSKLNBB-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@@H](NCC[C@@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC000446881687 373374240 /nfs/dbraw/zinc/37/42/40/373374240.db2.gz UJZIMYBGSKLNBB-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298542257 373353578 /nfs/dbraw/zinc/35/35/78/373353578.db2.gz TVQVYHSADSXNKH-INIZCTEOSA-N 1 3 295.430 3.444 20 0 CGADHO Cc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298608813 373363493 /nfs/dbraw/zinc/36/34/93/373363493.db2.gz ZVGIRFWMAAMOGY-UHFFFAOYSA-N 1 3 295.430 3.191 20 0 CGADHO Fc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1F ZINC000299311559 373503572 /nfs/dbraw/zinc/50/35/72/373503572.db2.gz DXSLOTJPXJBFOB-UHFFFAOYSA-N 1 3 280.362 3.071 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450448622 374134662 /nfs/dbraw/zinc/13/46/62/374134662.db2.gz BSQWIQBNVUFTQQ-GJZGRUSLSA-N 1 3 286.410 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450448622 374134667 /nfs/dbraw/zinc/13/46/67/374134667.db2.gz BSQWIQBNVUFTQQ-GJZGRUSLSA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448622 374134672 /nfs/dbraw/zinc/13/46/72/374134672.db2.gz BSQWIQBNVUFTQQ-GJZGRUSLSA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450448622 374134675 /nfs/dbraw/zinc/13/46/75/374134675.db2.gz BSQWIQBNVUFTQQ-GJZGRUSLSA-N 1 3 286.410 3.086 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CC2=CCCCC2)C[C@H]1C ZINC000450467786 374150500 /nfs/dbraw/zinc/15/05/00/374150500.db2.gz LYSXLGAQXMFJJA-ZBFHGGJFSA-N 1 3 250.430 3.291 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CC2=CCCCC2)C[C@H]1C ZINC000450467786 374150506 /nfs/dbraw/zinc/15/05/06/374150506.db2.gz LYSXLGAQXMFJJA-ZBFHGGJFSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000310977599 374231425 /nfs/dbraw/zinc/23/14/25/374231425.db2.gz IHSUXRKNLGZJMG-ILXRZTDVSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Cl)cc1 ZINC000310153941 374209894 /nfs/dbraw/zinc/20/98/94/374209894.db2.gz PUPVHANVHNLLMT-NWDGAFQWSA-N 1 3 254.805 3.188 20 0 CGADHO Cc1ccc(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000181904079 374187651 /nfs/dbraw/zinc/18/76/51/374187651.db2.gz AEEDNKSPBMAAJY-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000181904079 374187661 /nfs/dbraw/zinc/18/76/61/374187661.db2.gz AEEDNKSPBMAAJY-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CCC[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000181904079 374187670 /nfs/dbraw/zinc/18/76/70/374187670.db2.gz AEEDNKSPBMAAJY-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1C ZINC000311819553 374257300 /nfs/dbraw/zinc/25/73/00/374257300.db2.gz MYRXQWYOCRZPTR-BLLLJJGKSA-N 1 3 262.441 3.460 20 0 CGADHO Cc1cc(C)c([C@@H](C)NC[C@H](C)C[NH+](C)C)cc1C ZINC000311819553 374257302 /nfs/dbraw/zinc/25/73/02/374257302.db2.gz MYRXQWYOCRZPTR-BLLLJJGKSA-N 1 3 262.441 3.460 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000312512061 374282179 /nfs/dbraw/zinc/28/21/79/374282179.db2.gz JUNJFQHKGIIWLQ-ULQDDVLXSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)CN1CCCCC1 ZINC000314661660 374320714 /nfs/dbraw/zinc/32/07/14/374320714.db2.gz ULWBFJFLYSBZHJ-SJORKVTESA-N 1 3 294.483 3.047 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802637 374332411 /nfs/dbraw/zinc/33/24/11/374332411.db2.gz BCPYFMHWAJEZMQ-KSSFIOAISA-N 1 3 297.446 3.477 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802637 374332416 /nfs/dbraw/zinc/33/24/16/374332416.db2.gz BCPYFMHWAJEZMQ-KSSFIOAISA-N 1 3 297.446 3.477 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000328458520 374365846 /nfs/dbraw/zinc/36/58/46/374365846.db2.gz SSCCYYOUHOOCNF-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000328458520 374365850 /nfs/dbraw/zinc/36/58/50/374365850.db2.gz SSCCYYOUHOOCNF-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000328458520 374365854 /nfs/dbraw/zinc/36/58/54/374365854.db2.gz SSCCYYOUHOOCNF-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccc(C(C)(C)CN(C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000469987019 374994159 /nfs/dbraw/zinc/99/41/59/374994159.db2.gz JBGNGJGQBVDEPI-MRXNPFEDSA-N 1 3 274.452 3.204 20 0 CGADHO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H]2CCCNC2)cc1 ZINC000469987019 374994164 /nfs/dbraw/zinc/99/41/64/374994164.db2.gz JBGNGJGQBVDEPI-MRXNPFEDSA-N 1 3 274.452 3.204 20 0 CGADHO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H]2CCCNC2)cc1 ZINC000469987019 374994171 /nfs/dbraw/zinc/99/41/71/374994171.db2.gz JBGNGJGQBVDEPI-MRXNPFEDSA-N 1 3 274.452 3.204 20 0 CGADHO c1ccc(C2(NC[C@H]3CCC[NH2+]C3)CCCCC2)cc1 ZINC000469979266 374994729 /nfs/dbraw/zinc/99/47/29/374994729.db2.gz UDVFEWSLDGAJHB-INIZCTEOSA-N 1 3 272.436 3.435 20 0 CGADHO c1ccc(C2([NH2+]C[C@H]3CCCNC3)CCCCC2)cc1 ZINC000469979266 374994736 /nfs/dbraw/zinc/99/47/36/374994736.db2.gz UDVFEWSLDGAJHB-INIZCTEOSA-N 1 3 272.436 3.435 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000474879066 375128905 /nfs/dbraw/zinc/12/89/05/375128905.db2.gz LYTYWFJWEUKRAP-OKZBNKHCSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000188112328 375160903 /nfs/dbraw/zinc/16/09/03/375160903.db2.gz NUISFGQHJPLVNR-BMFZPTHFSA-N 1 3 278.415 3.219 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000188112328 375160906 /nfs/dbraw/zinc/16/09/06/375160906.db2.gz NUISFGQHJPLVNR-BMFZPTHFSA-N 1 3 278.415 3.219 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NC1CC(c2ccccc2)C1 ZINC000335561727 375330775 /nfs/dbraw/zinc/33/07/75/375330775.db2.gz QQYWODCKRJBMAO-GQGLESIBSA-N 1 3 258.409 3.182 20 0 CGADHO CCC[C@@H](C[NH2+]C[C@@H](C)CN(C)C)c1ccccc1 ZINC000491596116 375336077 /nfs/dbraw/zinc/33/60/77/375336077.db2.gz HLBQSPUVBIJFHZ-WBVHZDCISA-N 1 3 262.441 3.358 20 0 CGADHO CCSc1cccc(C[NH2+]C[C@H](C)CN(C)C)c1 ZINC000491595212 375336414 /nfs/dbraw/zinc/33/64/14/375336414.db2.gz XURXVGQCWZPSAL-ZDUSSCGKSA-N 1 3 266.454 3.086 20 0 CGADHO Cc1cccnc1[C@@H]([NH2+][C@H](C)C1CCN(C)CC1)C(C)C ZINC000120659603 542012484 /nfs/dbraw/zinc/01/24/84/542012484.db2.gz DXTNQGVVBVSDML-WBVHZDCISA-N 1 3 289.467 3.407 20 0 CGADHO CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000507133013 375677351 /nfs/dbraw/zinc/67/73/51/375677351.db2.gz RNAYFMCITINKRE-UHFFFAOYSA-N 1 3 260.425 3.239 20 0 CGADHO CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000507133013 375677354 /nfs/dbraw/zinc/67/73/54/375677354.db2.gz RNAYFMCITINKRE-UHFFFAOYSA-N 1 3 260.425 3.239 20 0 CGADHO CN(Cc1cccc(F)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000123890232 542030520 /nfs/dbraw/zinc/03/05/20/542030520.db2.gz VVQNAUFBSDJYEF-UHFFFAOYSA-N 1 3 284.378 3.103 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000334267850 206284355 /nfs/dbraw/zinc/28/43/55/206284355.db2.gz OBCKDFMKJQWKNM-XJKSGUPXSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NC3CCC3)CC2)C1 ZINC000334267850 206284358 /nfs/dbraw/zinc/28/43/58/206284358.db2.gz OBCKDFMKJQWKNM-XJKSGUPXSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336616974 375879178 /nfs/dbraw/zinc/87/91/78/375879178.db2.gz HJQGBNBJHHBRGV-HXSCFSKGSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336616974 375879183 /nfs/dbraw/zinc/87/91/83/375879183.db2.gz HJQGBNBJHHBRGV-HXSCFSKGSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000336616974 375879189 /nfs/dbraw/zinc/87/91/89/375879189.db2.gz HJQGBNBJHHBRGV-HXSCFSKGSA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000336684592 375903525 /nfs/dbraw/zinc/90/35/25/375903525.db2.gz SUNKMFTXVWBASF-GXFFZTMASA-N 1 3 285.229 3.085 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C)cc1Cl ZINC000520593184 375865962 /nfs/dbraw/zinc/86/59/62/375865962.db2.gz QOMCRVUHNYSALH-OAHLLOKOSA-N 1 3 298.858 3.095 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CNC[C@H]2CCC=CO2)c1 ZINC000194277398 375978133 /nfs/dbraw/zinc/97/81/33/375978133.db2.gz KAIRKCZXZUMXMP-GOSISDBHSA-N 1 3 288.435 3.309 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CNC[C@H]2CCC=CO2)c1 ZINC000194277398 375978139 /nfs/dbraw/zinc/97/81/39/375978139.db2.gz KAIRKCZXZUMXMP-GOSISDBHSA-N 1 3 288.435 3.309 20 0 CGADHO Cc1cc(C)cc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)c1 ZINC000537105592 376147758 /nfs/dbraw/zinc/14/77/58/376147758.db2.gz OCMKMSOEHSKUSV-NVXWUHKLSA-N 1 3 260.425 3.438 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)C1 ZINC000537296696 376160551 /nfs/dbraw/zinc/16/05/51/376160551.db2.gz YTVQPKUACMRTDN-HZMVEIRTSA-N 1 3 296.499 3.148 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618591 376183515 /nfs/dbraw/zinc/18/35/15/376183515.db2.gz FGLBEXVFHJFSHC-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000537618591 376183520 /nfs/dbraw/zinc/18/35/20/376183520.db2.gz FGLBEXVFHJFSHC-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2[C@H](C)CCC[C@H]2C)C[C@H](C)O1 ZINC000537969184 376214543 /nfs/dbraw/zinc/21/45/43/376214543.db2.gz OGHOKWGBBNEYJB-VQHPVUNQSA-N 1 3 296.499 3.290 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]CCCN(C)C(C)C)C12CCCC2 ZINC000224589790 376284060 /nfs/dbraw/zinc/28/40/60/376284060.db2.gz GBJUJFGQNBHVAN-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@H]1C[C@H](NCCC[N@H+](C)C(C)C)C12CCCC2 ZINC000224589790 376284065 /nfs/dbraw/zinc/28/40/65/376284065.db2.gz GBJUJFGQNBHVAN-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@H]1C[C@H](NCCC[N@@H+](C)C(C)C)C12CCCC2 ZINC000224589790 376284071 /nfs/dbraw/zinc/28/40/71/376284071.db2.gz GBJUJFGQNBHVAN-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000226313057 376350378 /nfs/dbraw/zinc/35/03/78/376350378.db2.gz DAXIHXZFSLTAHI-MRXNPFEDSA-N 1 3 262.441 3.328 20 0 CGADHO CCN(CC)CCC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000338237505 376293159 /nfs/dbraw/zinc/29/31/59/376293159.db2.gz KHNYUSPHROCRRK-UHFFFAOYSA-N 1 3 291.483 3.474 20 0 CGADHO Cc1ccc(C)c(OCCCN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227188108 376384371 /nfs/dbraw/zinc/38/43/71/376384371.db2.gz QGCBBELWFPJINO-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO Cc1oc2ccccc2c1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000228287667 376432690 /nfs/dbraw/zinc/43/26/90/376432690.db2.gz NGCLJSHQRQSYKA-JSGCOSHPSA-N 1 3 272.392 3.300 20 0 CGADHO CSCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000229209285 376459475 /nfs/dbraw/zinc/45/94/75/376459475.db2.gz WDJLDCFIEBZUBS-SOUVJXGZSA-N 1 3 270.486 3.030 20 0 CGADHO C[C@H]([NH2+]C1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541599739 376465936 /nfs/dbraw/zinc/46/59/36/376465936.db2.gz OWRLHYBVVFNCHZ-UONOGXRCSA-N 1 3 250.430 3.172 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000541986402 376499017 /nfs/dbraw/zinc/49/90/17/376499017.db2.gz PBLOILRTKTZOSC-SJORKVTESA-N 1 3 286.463 3.065 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000541986402 376499029 /nfs/dbraw/zinc/49/90/29/376499029.db2.gz PBLOILRTKTZOSC-SJORKVTESA-N 1 3 286.463 3.065 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338790890 376537627 /nfs/dbraw/zinc/53/76/27/376537627.db2.gz JIHRFMLEDBNFBV-BMGDILEWSA-N 1 3 270.420 3.030 20 0 CGADHO CC(C)(C)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868743 542085569 /nfs/dbraw/zinc/08/55/69/542085569.db2.gz YYIJCZWGMKHSLZ-GDBMZVCRSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)(C)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868743 542085571 /nfs/dbraw/zinc/08/55/71/542085571.db2.gz YYIJCZWGMKHSLZ-GDBMZVCRSA-N 1 3 264.457 3.371 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000245532879 376844438 /nfs/dbraw/zinc/84/44/38/376844438.db2.gz IMVLDMJJYGCLDP-JYJNAYRXSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000245532879 376844443 /nfs/dbraw/zinc/84/44/43/376844443.db2.gz IMVLDMJJYGCLDP-JYJNAYRXSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000556865196 376892071 /nfs/dbraw/zinc/89/20/71/376892071.db2.gz IZBGGEUSOGTURN-SJORKVTESA-N 1 3 260.425 3.272 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046873 376956652 /nfs/dbraw/zinc/95/66/52/376956652.db2.gz XRYFCPHCBKXVPO-RKVPGOIHSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046873 376956662 /nfs/dbraw/zinc/95/66/62/376956662.db2.gz XRYFCPHCBKXVPO-RKVPGOIHSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046873 376956670 /nfs/dbraw/zinc/95/66/70/376956670.db2.gz XRYFCPHCBKXVPO-RKVPGOIHSA-N 1 3 272.436 3.160 20 0 CGADHO Cc1ccccc1C[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000559972795 377112629 /nfs/dbraw/zinc/11/26/29/377112629.db2.gz ATMUSWZKJQWUEP-KRWDZBQOSA-N 1 3 274.452 3.344 20 0 CGADHO C[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)CN(C)C ZINC000559136297 377068395 /nfs/dbraw/zinc/06/83/95/377068395.db2.gz QQEBZTDWUWAMFA-WMLDXEAASA-N 1 3 260.425 3.315 20 0 CGADHO C[C@@H](CN[C@H](CC1CC1)c1ccccc1)C[NH+](C)C ZINC000559136297 377068402 /nfs/dbraw/zinc/06/84/02/377068402.db2.gz QQEBZTDWUWAMFA-WMLDXEAASA-N 1 3 260.425 3.315 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000246844739 377102839 /nfs/dbraw/zinc/10/28/39/377102839.db2.gz CHWVYIRYHLASJU-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(C)c2C)C1 ZINC000246844739 377102851 /nfs/dbraw/zinc/10/28/51/377102851.db2.gz CHWVYIRYHLASJU-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(C)c2C)C1 ZINC000246844739 377102861 /nfs/dbraw/zinc/10/28/61/377102861.db2.gz CHWVYIRYHLASJU-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CCOc1ccccc1C[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000247081964 377154133 /nfs/dbraw/zinc/15/41/33/377154133.db2.gz QLYGJKFYNIAIML-RDJZCZTQSA-N 1 3 290.451 3.247 20 0 CGADHO CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000247081964 377154137 /nfs/dbraw/zinc/15/41/37/377154137.db2.gz QLYGJKFYNIAIML-RDJZCZTQSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000247138994 377167852 /nfs/dbraw/zinc/16/78/52/377167852.db2.gz WCGYZLMVIVQTOH-YJBOKZPZSA-N 1 3 272.436 3.384 20 0 CGADHO COc1c(C)cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000561395729 377225082 /nfs/dbraw/zinc/22/50/82/377225082.db2.gz LKDQUCJKGLSCNW-WBVHZDCISA-N 1 3 290.451 3.084 20 0 CGADHO COc1c(C)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000561395729 377225091 /nfs/dbraw/zinc/22/50/91/377225091.db2.gz LKDQUCJKGLSCNW-WBVHZDCISA-N 1 3 290.451 3.084 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247983903 377252896 /nfs/dbraw/zinc/25/28/96/377252896.db2.gz IQQKWOYMQXWLAJ-UNEWFSDZSA-N 1 3 276.399 3.303 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247983903 377252899 /nfs/dbraw/zinc/25/28/99/377252899.db2.gz IQQKWOYMQXWLAJ-UNEWFSDZSA-N 1 3 276.399 3.303 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000562956224 377376280 /nfs/dbraw/zinc/37/62/80/377376280.db2.gz PCIYTSBVWWDUNO-HOTGVXAUSA-N 1 3 275.440 3.005 20 0 CGADHO CCNCCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000562956224 377376288 /nfs/dbraw/zinc/37/62/88/377376288.db2.gz PCIYTSBVWWDUNO-HOTGVXAUSA-N 1 3 275.440 3.005 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@H]1CN)CC3 ZINC000562746417 377356097 /nfs/dbraw/zinc/35/60/97/377356097.db2.gz IRMLOKVHNGHDBE-VBQJREDUSA-N 1 3 297.446 3.051 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccccc2Cl)CC1 ZINC000341196581 377441110 /nfs/dbraw/zinc/44/11/10/377441110.db2.gz WKIAXIRQUQYMRD-UHFFFAOYSA-N 1 3 266.816 3.114 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000249042046 377448876 /nfs/dbraw/zinc/44/88/76/377448876.db2.gz VFDJDHGWPARZGL-GDBMZVCRSA-N 1 3 252.446 3.275 20 0 CGADHO [NH3+]Cc1ccc(CNCc2cccc(C3CC3)c2)cc1 ZINC000563136076 377407697 /nfs/dbraw/zinc/40/76/97/377407697.db2.gz YVGMKDZYYPDMDM-UHFFFAOYSA-N 1 3 266.388 3.313 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422907215 249127659 /nfs/dbraw/zinc/12/76/59/249127659.db2.gz LBJKQBYBOMJFDH-CJNGLKHVSA-N 1 3 295.430 3.229 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@@H]3CCCC[C@@H]3CN)c[nH]c21 ZINC000422907753 249126828 /nfs/dbraw/zinc/12/68/28/249126828.db2.gz CKRMNNPRIDHCAQ-CRAIPNDOSA-N 1 3 299.462 3.380 20 0 CGADHO C[NH+](C)CCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000515775136 249220312 /nfs/dbraw/zinc/22/03/12/249220312.db2.gz BRZAXXQADGVACH-TWGQIWQCSA-N 1 3 272.436 3.364 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000515845488 249222024 /nfs/dbraw/zinc/22/20/24/249222024.db2.gz HWEGMCZAWASBAS-SRVKXCTJSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000515845488 249222027 /nfs/dbraw/zinc/22/20/27/249222027.db2.gz HWEGMCZAWASBAS-SRVKXCTJSA-N 1 3 288.357 3.352 20 0 CGADHO Cc1cc(CC[NH2+][C@H]2CCC[C@H](N)C2)ccc1Cl ZINC000516193927 249228456 /nfs/dbraw/zinc/22/84/56/249228456.db2.gz SYFSSCXZBOUGBC-KBPBESRZSA-N 1 3 266.816 3.050 20 0 CGADHO Cc1cc(CCN[C@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000516193927 249228457 /nfs/dbraw/zinc/22/84/57/249228457.db2.gz SYFSSCXZBOUGBC-KBPBESRZSA-N 1 3 266.816 3.050 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CC[C@H]1C1CC1 ZINC000573858391 377585330 /nfs/dbraw/zinc/58/53/30/377585330.db2.gz WANXIVUCPGEDQP-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000573858391 377585343 /nfs/dbraw/zinc/58/53/43/377585343.db2.gz WANXIVUCPGEDQP-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000574039756 377610804 /nfs/dbraw/zinc/61/08/04/377610804.db2.gz PWRRNRDNZKDKIJ-WOPDTQHZSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](C)c1cccc(Cl)c1 ZINC000574039756 377610815 /nfs/dbraw/zinc/61/08/15/377610815.db2.gz PWRRNRDNZKDKIJ-WOPDTQHZSA-N 1 3 254.805 3.159 20 0 CGADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252696247 377652709 /nfs/dbraw/zinc/65/27/09/377652709.db2.gz XPNNCCJRQKSMAK-BQFCYCMXSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252696247 377652712 /nfs/dbraw/zinc/65/27/12/377652712.db2.gz XPNNCCJRQKSMAK-BQFCYCMXSA-N 1 3 272.436 3.472 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000252893655 377669401 /nfs/dbraw/zinc/66/94/01/377669401.db2.gz RFVZMEFQLGEEDO-SMDDNHRTSA-N 1 3 286.341 3.135 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000252893655 377669408 /nfs/dbraw/zinc/66/94/08/377669408.db2.gz RFVZMEFQLGEEDO-SMDDNHRTSA-N 1 3 286.341 3.135 20 0 CGADHO C[C@@]1(CN2CC[C@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681794 377840231 /nfs/dbraw/zinc/84/02/31/377840231.db2.gz AHOMJCLNZLWRNG-DOTOQJQBSA-N 1 3 290.476 3.100 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCc1ccc2ccccc2c1 ZINC000261592613 377823198 /nfs/dbraw/zinc/82/31/98/377823198.db2.gz MLOIRPJBQJZIAM-KRWDZBQOSA-N 1 3 256.393 3.303 20 0 CGADHO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCCNC2)cc1 ZINC000261630970 377829811 /nfs/dbraw/zinc/82/98/11/377829811.db2.gz CNLPRNWHKLNVFI-KANFNMMFSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCNC2)cc1 ZINC000261630970 377829818 /nfs/dbraw/zinc/82/98/18/377829818.db2.gz CNLPRNWHKLNVFI-KANFNMMFSA-N 1 3 284.447 3.397 20 0 CGADHO COc1cccc([C@@H]2C[C@@H](C)CN2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261904891 377864983 /nfs/dbraw/zinc/86/49/83/377864983.db2.gz WTOSGEFEAQRCOI-FHLIZLRMSA-N 1 3 288.435 3.078 20 0 CGADHO Fc1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000261922966 377868064 /nfs/dbraw/zinc/86/80/64/377868064.db2.gz KSDMTMMCYWXYNZ-JKSUJKDBSA-N 1 3 290.426 3.395 20 0 CGADHO Fc1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000261922966 377868071 /nfs/dbraw/zinc/86/80/71/377868071.db2.gz KSDMTMMCYWXYNZ-JKSUJKDBSA-N 1 3 290.426 3.395 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)N ZINC000261950790 377870886 /nfs/dbraw/zinc/87/08/86/377870886.db2.gz NYNLEOOMUHWUNW-AWEZNQCLSA-N 1 3 252.377 3.192 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)N ZINC000261950790 377870891 /nfs/dbraw/zinc/87/08/91/377870891.db2.gz NYNLEOOMUHWUNW-AWEZNQCLSA-N 1 3 252.377 3.192 20 0 CGADHO C[C@H](C[N@H+](C)C1CCNCC1)c1cccc(Cl)c1 ZINC000261948550 377871211 /nfs/dbraw/zinc/87/12/11/377871211.db2.gz NOOHXQLLXOJDNI-GFCCVEGCSA-N 1 3 266.816 3.127 20 0 CGADHO C[C@H](C[N@@H+](C)C1CCNCC1)c1cccc(Cl)c1 ZINC000261948550 377871214 /nfs/dbraw/zinc/87/12/14/377871214.db2.gz NOOHXQLLXOJDNI-GFCCVEGCSA-N 1 3 266.816 3.127 20 0 CGADHO C[C@H](CN(C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000261948550 377871215 /nfs/dbraw/zinc/87/12/15/377871215.db2.gz NOOHXQLLXOJDNI-GFCCVEGCSA-N 1 3 266.816 3.127 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000261992541 377876508 /nfs/dbraw/zinc/87/65/08/377876508.db2.gz SOMFXAIBTRNGPV-CQSZACIVSA-N 1 3 288.435 3.035 20 0 CGADHO COc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC000262405580 377896665 /nfs/dbraw/zinc/89/66/65/377896665.db2.gz CRBSJWLWMNDRKQ-GOEBONIOSA-N 1 3 298.430 3.265 20 0 CGADHO Cc1nc2ccc(CN3CCC([C@@H](C)[NH3+])CC3)cc2s1 ZINC000261753373 377850197 /nfs/dbraw/zinc/85/01/97/377850197.db2.gz CHCZOBFAMPHJFO-LLVKDONJSA-N 1 3 289.448 3.164 20 0 CGADHO CC(C)CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000564974809 322052267 /nfs/dbraw/zinc/05/22/67/322052267.db2.gz SNACCCNUVALFFC-MRXNPFEDSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000578313985 378056994 /nfs/dbraw/zinc/05/69/94/378056994.db2.gz LWOSATNMXSMTQJ-IAGOWNOFSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000578313985 378057001 /nfs/dbraw/zinc/05/70/01/378057001.db2.gz LWOSATNMXSMTQJ-IAGOWNOFSA-N 1 3 260.425 3.300 20 0 CGADHO Cc1nc(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)sc1C ZINC000578348219 378060130 /nfs/dbraw/zinc/06/01/30/378060130.db2.gz ZFCMHFWUFRLMSO-GJZGRUSLSA-N 1 3 287.432 3.037 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC000268849360 378130395 /nfs/dbraw/zinc/13/03/95/378130395.db2.gz PMAYDWQDAUHSEV-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]([NH2+]CCCCCOC1CCCCC1)[C@@H]1CCCNC1 ZINC000579825071 378198460 /nfs/dbraw/zinc/19/84/60/378198460.db2.gz HGPVXTMUFZEXSP-IAGOWNOFSA-N 1 3 296.499 3.484 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000580963181 378272471 /nfs/dbraw/zinc/27/24/71/378272471.db2.gz OTRYBWKLYLJOGC-MXASKKJJSA-N 1 3 276.399 3.321 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000582214902 378293504 /nfs/dbraw/zinc/29/35/04/378293504.db2.gz MIGZCESGBQOZAA-OAHLLOKOSA-N 1 3 295.430 3.170 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000582214902 378293509 /nfs/dbraw/zinc/29/35/09/378293509.db2.gz MIGZCESGBQOZAA-OAHLLOKOSA-N 1 3 295.430 3.170 20 0 CGADHO C[C@@H](Cc1ccsc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580363742 378245272 /nfs/dbraw/zinc/24/52/72/378245272.db2.gz LXNIHYWPBFLQIZ-NTQSIJHJSA-N 1 3 278.465 3.236 20 0 CGADHO C[C@@H](Cc1ccsc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580363742 378245276 /nfs/dbraw/zinc/24/52/76/378245276.db2.gz LXNIHYWPBFLQIZ-NTQSIJHJSA-N 1 3 278.465 3.236 20 0 CGADHO NC[C@H]([NH2+]Cc1cnc(C2CC2)s1)C1CCCCC1 ZINC000584517225 378391561 /nfs/dbraw/zinc/39/15/61/378391561.db2.gz BBQGRUKWBWTDNI-AWEZNQCLSA-N 1 3 279.453 3.018 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346849978 378695251 /nfs/dbraw/zinc/69/52/51/378695251.db2.gz HIOSRQXLPQAOPN-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346849978 378695255 /nfs/dbraw/zinc/69/52/55/378695255.db2.gz HIOSRQXLPQAOPN-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346849978 378695257 /nfs/dbraw/zinc/69/52/57/378695257.db2.gz HIOSRQXLPQAOPN-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181246 378724514 /nfs/dbraw/zinc/72/45/14/378724514.db2.gz YGHZXAQKFORIDT-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181246 378724519 /nfs/dbraw/zinc/72/45/19/378724519.db2.gz YGHZXAQKFORIDT-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181246 378724523 /nfs/dbraw/zinc/72/45/23/378724523.db2.gz YGHZXAQKFORIDT-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181246 378724524 /nfs/dbraw/zinc/72/45/24/378724524.db2.gz YGHZXAQKFORIDT-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO CC(C)C[N@H+](CCc1ccccc1)C[C@H]1CCCNC1 ZINC000346825912 218026999 /nfs/dbraw/zinc/02/69/99/218026999.db2.gz HAOMQZHOEDFDAZ-SFHVURJKSA-N 1 3 274.452 3.187 20 0 CGADHO CC(C)C[N@@H+](CCc1ccccc1)C[C@H]1CCCNC1 ZINC000346825912 218027002 /nfs/dbraw/zinc/02/70/02/218027002.db2.gz HAOMQZHOEDFDAZ-SFHVURJKSA-N 1 3 274.452 3.187 20 0 CGADHO CC(C)CCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346972390 218074553 /nfs/dbraw/zinc/07/45/53/218074553.db2.gz HFQHVDPKICTTIW-INIZCTEOSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)CCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346972390 218074555 /nfs/dbraw/zinc/07/45/55/218074555.db2.gz HFQHVDPKICTTIW-INIZCTEOSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)c1 ZINC000346996296 218085884 /nfs/dbraw/zinc/08/58/84/218085884.db2.gz WKAGDAWXFVLJLP-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)c1 ZINC000346996296 218085886 /nfs/dbraw/zinc/08/58/86/218085886.db2.gz WKAGDAWXFVLJLP-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000347060946 218107969 /nfs/dbraw/zinc/10/79/69/218107969.db2.gz YGOPFXCQJNFDSO-OCCSQVGLSA-N 1 3 274.433 3.461 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584403 194055397 /nfs/dbraw/zinc/05/53/97/194055397.db2.gz QEUIAFDRUDMISM-ZFWWWQNUSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000278584403 194055399 /nfs/dbraw/zinc/05/53/99/194055399.db2.gz QEUIAFDRUDMISM-ZFWWWQNUSA-N 1 3 296.480 3.208 20 0 CGADHO C[C@H]1CCCC[C@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132761 218132643 /nfs/dbraw/zinc/13/26/43/218132643.db2.gz RNKNLJDDVAUXKO-WDFJATGCSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132778 218132937 /nfs/dbraw/zinc/13/29/37/218132937.db2.gz RNKNLJDDVAUXKO-YFVFXCHESA-N 1 3 250.430 3.028 20 0 CGADHO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000370670551 379049063 /nfs/dbraw/zinc/04/90/63/379049063.db2.gz DRVXAVGPFMJIDJ-JONQDZQNSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639169594 379089751 /nfs/dbraw/zinc/08/97/51/379089751.db2.gz GQFHJDMJOSCETD-NEPXVJNWSA-N 1 3 286.463 3.499 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(Cc2cccc3cc[nH]c32)CC1 ZINC000277553732 379187112 /nfs/dbraw/zinc/18/71/12/379187112.db2.gz RESJYVOMTNLKHQ-MRXNPFEDSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000277553732 379187117 /nfs/dbraw/zinc/18/71/17/379187117.db2.gz RESJYVOMTNLKHQ-MRXNPFEDSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC000277553732 379187123 /nfs/dbraw/zinc/18/71/23/379187123.db2.gz RESJYVOMTNLKHQ-MRXNPFEDSA-N 1 3 271.408 3.084 20 0 CGADHO CC(C)[C@@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000569039530 322232638 /nfs/dbraw/zinc/23/26/38/322232638.db2.gz ZYJPGXYGSOIJEU-QGZVFWFLSA-N 1 3 262.441 3.310 20 0 CGADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccsc1 ZINC000373520131 379292806 /nfs/dbraw/zinc/29/28/06/379292806.db2.gz HHEQCYZKDSCPSP-GRTSSRMGSA-N 1 3 264.438 3.416 20 0 CGADHO C[N@H+](CCCN[C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318467 379418141 /nfs/dbraw/zinc/41/81/41/379418141.db2.gz XYZYMEDIMADQPS-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO C[N@@H+](CCCN[C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318467 379418148 /nfs/dbraw/zinc/41/81/48/379418148.db2.gz XYZYMEDIMADQPS-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO CN(CCC[NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318467 379418155 /nfs/dbraw/zinc/41/81/55/379418155.db2.gz XYZYMEDIMADQPS-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO c1ccc(CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000266759680 190279225 /nfs/dbraw/zinc/27/92/25/190279225.db2.gz SNYJPBQUBYUAQW-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO c1ccc(CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000266759680 190279226 /nfs/dbraw/zinc/27/92/26/190279226.db2.gz SNYJPBQUBYUAQW-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO Cc1ccncc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000279840804 379531696 /nfs/dbraw/zinc/53/16/96/379531696.db2.gz HOTMCAZSDVVGOF-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1ccncc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000279840804 379531701 /nfs/dbraw/zinc/53/17/01/379531701.db2.gz HOTMCAZSDVVGOF-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO CCCN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCCO1 ZINC000351595441 379729806 /nfs/dbraw/zinc/72/98/06/379729806.db2.gz KSVPQSKQGCZIIZ-IRXDYDNUSA-N 1 3 282.472 3.142 20 0 CGADHO CCCN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCCO1 ZINC000351595441 379729811 /nfs/dbraw/zinc/72/98/11/379729811.db2.gz KSVPQSKQGCZIIZ-IRXDYDNUSA-N 1 3 282.472 3.142 20 0 CGADHO C[C@H](C[N@@H+]1CCCC[C@@H]1CCN)c1ccc(F)cc1 ZINC000352527339 379845076 /nfs/dbraw/zinc/84/50/76/379845076.db2.gz ZBNKTMDHKOAMOU-CZUORRHYSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@H](C[N@H+]1CCCC[C@@H]1CCN)c1ccc(F)cc1 ZINC000352527339 379845081 /nfs/dbraw/zinc/84/50/81/379845081.db2.gz ZBNKTMDHKOAMOU-CZUORRHYSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@H](CN1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527339 379845084 /nfs/dbraw/zinc/84/50/84/379845084.db2.gz ZBNKTMDHKOAMOU-CZUORRHYSA-N 1 3 264.388 3.133 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000379291521 379860050 /nfs/dbraw/zinc/86/00/50/379860050.db2.gz VMZOFQDZMHRMCN-OWCLPIDISA-N 1 3 278.465 3.457 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000394470015 379919318 /nfs/dbraw/zinc/91/93/18/379919318.db2.gz DVLUKFLPZJCGPL-MGPQQGTHSA-N 1 3 272.383 3.028 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000394470015 379919325 /nfs/dbraw/zinc/91/93/25/379919325.db2.gz DVLUKFLPZJCGPL-MGPQQGTHSA-N 1 3 272.383 3.028 20 0 CGADHO C[C@H](F)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821297 379981041 /nfs/dbraw/zinc/98/10/41/379981041.db2.gz ANPWQYDESYJACZ-WMZOPIPTSA-N 1 3 290.426 3.333 20 0 CGADHO C[C@H](F)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821297 379981047 /nfs/dbraw/zinc/98/10/47/379981047.db2.gz ANPWQYDESYJACZ-WMZOPIPTSA-N 1 3 290.426 3.333 20 0 CGADHO c1coc([C@@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)c1 ZINC000401066475 379957345 /nfs/dbraw/zinc/95/73/45/379957345.db2.gz ZGUBYGWMRAFACJ-FAJBIJEISA-N 1 3 296.414 3.347 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000410389515 380091126 /nfs/dbraw/zinc/09/11/26/380091126.db2.gz MODFDLHLLBDUGL-HZPDHXFCSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410389515 380091131 /nfs/dbraw/zinc/09/11/31/380091131.db2.gz MODFDLHLLBDUGL-HZPDHXFCSA-N 1 3 254.462 3.332 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@H](C)CC(C)C)C1 ZINC000410389515 380091138 /nfs/dbraw/zinc/09/11/38/380091138.db2.gz MODFDLHLLBDUGL-HZPDHXFCSA-N 1 3 254.462 3.332 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000283936190 380107670 /nfs/dbraw/zinc/10/76/70/380107670.db2.gz JLRZWYAYRZLZIS-AWEZNQCLSA-N 1 3 288.435 3.048 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCCOc3ccccc32)C1 ZINC000414200952 380202020 /nfs/dbraw/zinc/20/20/20/380202020.db2.gz XXYVIPRJLMMINX-NVXWUHKLSA-N 1 3 288.435 3.222 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCCOc3ccccc32)C1 ZINC000414200952 380202023 /nfs/dbraw/zinc/20/20/23/380202023.db2.gz XXYVIPRJLMMINX-NVXWUHKLSA-N 1 3 288.435 3.222 20 0 CGADHO c1ccc([C@@H](CC2CC2)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000643500326 380321192 /nfs/dbraw/zinc/32/11/92/380321192.db2.gz CTNLGSBDNWBNHJ-UJJTZGENSA-N 1 3 270.420 3.400 20 0 CGADHO CCCc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643521542 380335546 /nfs/dbraw/zinc/33/55/46/380335546.db2.gz PKQGUODOWBFHMK-YOEHRIQHSA-N 1 3 260.425 3.432 20 0 CGADHO Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2CN)c(C)c1 ZINC000643457026 380308314 /nfs/dbraw/zinc/30/83/14/380308314.db2.gz CYCXBSXRODNNRP-ZWKOTPCHSA-N 1 3 274.452 3.343 20 0 CGADHO C[C@@H](NCCCCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000643458408 380310308 /nfs/dbraw/zinc/31/03/08/380310308.db2.gz VRMUHQHFFGVWKU-NVXWUHKLSA-N 1 3 260.425 3.130 20 0 CGADHO CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCCCO1 ZINC000643466735 380314127 /nfs/dbraw/zinc/31/41/27/380314127.db2.gz LWQQGEMNQJPAQJ-BBWFWOEESA-N 1 3 288.435 3.316 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643548919 380364529 /nfs/dbraw/zinc/36/45/29/380364529.db2.gz XLGJXGFPXQFPLM-HUUCEWRRSA-N 1 3 250.430 3.220 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548733 380364851 /nfs/dbraw/zinc/36/48/51/380364851.db2.gz UIWQIYOFKNEZCE-ARFHVFGLSA-N 1 3 294.483 3.235 20 0 CGADHO CCCCO[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548733 380364855 /nfs/dbraw/zinc/36/48/55/380364855.db2.gz UIWQIYOFKNEZCE-ARFHVFGLSA-N 1 3 294.483 3.235 20 0 CGADHO CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643549010 380366978 /nfs/dbraw/zinc/36/69/78/380366978.db2.gz YYJNFFRTRBCABD-ZNMIVQPWSA-N 1 3 252.446 3.466 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(OC)cc2)C[C@@H]1C ZINC000354226448 380369518 /nfs/dbraw/zinc/36/95/18/380369518.db2.gz WDRGZNXFHQNMOI-RDJZCZTQSA-N 1 3 290.451 3.042 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(OC)cc2)C[C@@H]1C ZINC000354226448 380369526 /nfs/dbraw/zinc/36/95/26/380369526.db2.gz WDRGZNXFHQNMOI-RDJZCZTQSA-N 1 3 290.451 3.042 20 0 CGADHO NCCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000414696902 380378965 /nfs/dbraw/zinc/37/89/65/380378965.db2.gz WENDYTXXFSOFLW-KRWDZBQOSA-N 1 3 254.377 3.326 20 0 CGADHO NCCC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000414696902 380378971 /nfs/dbraw/zinc/37/89/71/380378971.db2.gz WENDYTXXFSOFLW-KRWDZBQOSA-N 1 3 254.377 3.326 20 0 CGADHO C[C@@H]([NH3+])CN[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000643527090 380343181 /nfs/dbraw/zinc/34/31/81/380343181.db2.gz CVXLEVQMJWELAH-HUUCEWRRSA-N 1 3 268.404 3.144 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526872 380343444 /nfs/dbraw/zinc/34/34/44/380343444.db2.gz BCZMSFCCGKICSN-ISVAXAHUSA-N 1 3 273.207 3.381 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000643527930 380344541 /nfs/dbraw/zinc/34/45/41/380344541.db2.gz VSWDIGHGZQZUBM-JKOKRWQUSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1Cl ZINC000643533854 380348467 /nfs/dbraw/zinc/34/84/67/380348467.db2.gz FZIDSRLSJJZZKQ-RISCZKNCSA-N 1 3 264.800 3.133 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000643546043 380358022 /nfs/dbraw/zinc/35/80/22/380358022.db2.gz HHKVTVWLCKQANU-ZBFHGGJFSA-N 1 3 258.409 3.320 20 0 CGADHO Cc1ccc(F)cc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815609 380427665 /nfs/dbraw/zinc/42/76/65/380427665.db2.gz XUAYAVYUZKXZAY-CYBMUJFWSA-N 1 3 272.367 3.444 20 0 CGADHO CC(C)C[C@@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000414822506 380431547 /nfs/dbraw/zinc/43/15/47/380431547.db2.gz AIZFZEZBTWXWCL-WMZOPIPTSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000414825892 380436092 /nfs/dbraw/zinc/43/60/92/380436092.db2.gz UOYPVESQJSSVQB-ISARSNTHSA-N 1 3 286.463 3.475 20 0 CGADHO Cc1ccccc1C[C@@H](C)NCC1([NH3+])CCCCC1 ZINC000414837332 380443437 /nfs/dbraw/zinc/44/34/37/380443437.db2.gz GTPPUOLCMXVBQU-OAHLLOKOSA-N 1 3 260.425 3.177 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414838398 380446049 /nfs/dbraw/zinc/44/60/49/380446049.db2.gz KRQOLFATUYVGRJ-AWEZNQCLSA-N 1 3 289.448 3.273 20 0 CGADHO Cc1ccc(CCC[NH2+]C[C@@H]2CCCN(C(C)C)C2)cn1 ZINC000354328902 380401336 /nfs/dbraw/zinc/40/13/36/380401336.db2.gz JUHCXMPHKKYNSF-SFHVURJKSA-N 1 3 289.467 3.033 20 0 CGADHO Clc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414785596 380403280 /nfs/dbraw/zinc/40/32/80/380403280.db2.gz SVLMUOUZPNHIID-NWDGAFQWSA-N 1 3 284.856 3.223 20 0 CGADHO C[C@H]1CC2(CN1Cc1cscc1Cl)CC[NH2+]CC2 ZINC000643973745 380403791 /nfs/dbraw/zinc/40/37/91/380403791.db2.gz BAEBEAKJUZDJEB-NSHDSACASA-N 1 3 284.856 3.366 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cc2ccccc2s1 ZINC000414791298 380406624 /nfs/dbraw/zinc/40/66/24/380406624.db2.gz HNWMVRXZMGZOQK-OCCSQVGLSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414791298 380406629 /nfs/dbraw/zinc/40/66/29/380406629.db2.gz HNWMVRXZMGZOQK-OCCSQVGLSA-N 1 3 260.406 3.118 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2ccccc2c1 ZINC000414793627 380408474 /nfs/dbraw/zinc/40/84/74/380408474.db2.gz KZFNHFSVKJSMJF-SJORKVTESA-N 1 3 254.377 3.057 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000414793152 380409323 /nfs/dbraw/zinc/40/93/23/380409323.db2.gz DHFQRFOUFQVBDC-SMDDNHRTSA-N 1 3 270.779 3.086 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000414796229 380410820 /nfs/dbraw/zinc/41/08/20/380410820.db2.gz NYAGEDLTVBVBPK-JQWIXIFHSA-N 1 3 274.861 3.296 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000414800111 380412927 /nfs/dbraw/zinc/41/29/27/380412927.db2.gz KSNMPXHNPKQQEN-HKUYNNGSSA-N 1 3 295.430 3.356 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414801860 380414319 /nfs/dbraw/zinc/41/43/19/380414319.db2.gz ATJPZUWOMPZBAM-FVQBIDKESA-N 1 3 260.425 3.286 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414801619 380414499 /nfs/dbraw/zinc/41/44/99/380414499.db2.gz LZGZWICSAJFVRD-VNQPRFMTSA-N 1 3 252.446 3.452 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C(F)(F)F)s1 ZINC000414806429 380418194 /nfs/dbraw/zinc/41/81/94/380418194.db2.gz QGOXRKFZOLFHRL-ONGXEEELSA-N 1 3 292.370 3.374 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000414808928 380420354 /nfs/dbraw/zinc/42/03/54/380420354.db2.gz SULWZPYQZMJUQA-RYQLBKOJSA-N 1 3 274.452 3.423 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919487 380489832 /nfs/dbraw/zinc/48/98/32/380489832.db2.gz XDDFUYFKADQGRL-MSOLQXFVSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCNC1 ZINC000414919071 380490145 /nfs/dbraw/zinc/49/01/45/380490145.db2.gz VXKHTEAYBSHMLD-UPJWGTAASA-N 1 3 278.362 3.087 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414925138 380491077 /nfs/dbraw/zinc/49/10/77/380491077.db2.gz LASVNBAOVKOAFV-UHOFOFEASA-N 1 3 264.388 3.006 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cc3ccccc3s2)C1 ZINC000414925210 380491973 /nfs/dbraw/zinc/49/19/73/380491973.db2.gz LNBGHWGUWSKFER-STQMWFEESA-N 1 3 260.406 3.261 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414926850 380492102 /nfs/dbraw/zinc/49/21/02/380492102.db2.gz NTETZJUACLFZHP-QWHCGFSZSA-N 1 3 258.365 3.101 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CNCC[C@@H]1C ZINC000414930620 380492843 /nfs/dbraw/zinc/49/28/43/380492843.db2.gz PAXJRPHQUSTKPT-IINYFYTJSA-N 1 3 286.341 3.101 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CNCC[C@H]1C ZINC000414930624 380493996 /nfs/dbraw/zinc/49/39/96/380493996.db2.gz PAXJRPHQUSTKPT-QMTHXVAHSA-N 1 3 286.341 3.101 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000414861779 380461835 /nfs/dbraw/zinc/46/18/35/380461835.db2.gz WTZBOMKQEBJCHX-FZKCQIBNSA-N 1 3 252.446 3.181 20 0 CGADHO CCC[NH2+]CCNC1CCC(c2ccccc2)CC1 ZINC000414869879 380466930 /nfs/dbraw/zinc/46/69/30/380466930.db2.gz LUNMYMHIRUXCRK-UHFFFAOYSA-N 1 3 260.425 3.302 20 0 CGADHO Cc1ccccc1-c1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000414875673 380470642 /nfs/dbraw/zinc/47/06/42/380470642.db2.gz KFBLKGLMGJJRTI-CQSZACIVSA-N 1 3 268.404 3.346 20 0 CGADHO NC1(C[NH2+]Cc2cc(-c3ccccc3)cs2)CCC1 ZINC000414886324 380473827 /nfs/dbraw/zinc/47/38/27/380473827.db2.gz PKTCPHDKUQRXFG-UHFFFAOYSA-N 1 3 272.417 3.386 20 0 CGADHO CC(C)[C@@H](CNCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000414900618 380479811 /nfs/dbraw/zinc/47/98/11/380479811.db2.gz DTHWAXFUQWLPRR-IAGOWNOFSA-N 1 3 260.425 3.158 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899544 380479874 /nfs/dbraw/zinc/47/98/74/380479874.db2.gz CMCCJKVXJNCXNF-PBHICJAKSA-N 1 3 292.492 3.319 20 0 CGADHO CSc1ccccc1C[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414899544 380479884 /nfs/dbraw/zinc/47/98/84/380479884.db2.gz CMCCJKVXJNCXNF-PBHICJAKSA-N 1 3 292.492 3.319 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906812 380484429 /nfs/dbraw/zinc/48/44/29/380484429.db2.gz MTCOTFSBKDBAPZ-ZOBUZTSGSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358366664 381306663 /nfs/dbraw/zinc/30/66/63/381306663.db2.gz IWEYWEJIWYPGOA-XYJFISCASA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CO)CCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358366664 381306668 /nfs/dbraw/zinc/30/66/68/381306668.db2.gz IWEYWEJIWYPGOA-XYJFISCASA-N 1 3 296.499 3.028 20 0 CGADHO Cc1ccc(C[NH2+]CC(C)(C)CN2CCCC2)s1 ZINC000360167489 381465080 /nfs/dbraw/zinc/46/50/80/381465080.db2.gz YUDYLMXZYCVURJ-UHFFFAOYSA-N 1 3 266.454 3.268 20 0 CGADHO Cc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334866789 207212565 /nfs/dbraw/zinc/21/25/65/207212565.db2.gz CJFWQTPOHXKRRU-ZFWWWQNUSA-N 1 3 264.438 3.021 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000334884642 207241208 /nfs/dbraw/zinc/24/12/08/207241208.db2.gz KUEHHOPQECMZQN-WBMJQRKESA-N 1 3 285.435 3.357 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000334884642 207241213 /nfs/dbraw/zinc/24/12/13/207241213.db2.gz KUEHHOPQECMZQN-WBMJQRKESA-N 1 3 285.435 3.357 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362925169 382150212 /nfs/dbraw/zinc/15/02/12/382150212.db2.gz RMQLPKWMENTNEV-HOCLYGCPSA-N 1 3 289.398 3.269 20 0 CGADHO Cc1cccc2c(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000246717102 542328016 /nfs/dbraw/zinc/32/80/16/542328016.db2.gz NNRKQIOCZRNHGM-IRXDYDNUSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2c(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c21 ZINC000246717102 542328021 /nfs/dbraw/zinc/32/80/21/542328021.db2.gz NNRKQIOCZRNHGM-IRXDYDNUSA-N 1 3 297.446 3.235 20 0 CGADHO CC[C@@H]1CN(Cc2ccccc2C2CC2)CC[C@H]1[NH3+] ZINC000251599985 542346657 /nfs/dbraw/zinc/34/66/57/542346657.db2.gz DBRZLOWNGJDLAF-CXAGYDPISA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@H]1CN(Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251772864 542347790 /nfs/dbraw/zinc/34/77/90/542347790.db2.gz MOVAJHWARFJCDX-KBXCAEBGSA-N 1 3 268.404 3.399 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2Cc3ccccc32)c2ccccc21 ZINC000252793400 542351086 /nfs/dbraw/zinc/35/10/86/542351086.db2.gz XCWSSBMZUFMOAI-XWIAVFTESA-N 1 3 264.372 3.061 20 0 CGADHO CSc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000280928405 195032876 /nfs/dbraw/zinc/03/28/76/195032876.db2.gz UVLAVEOWJFNCEV-HOTGVXAUSA-N 1 3 290.476 3.167 20 0 CGADHO CSc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000280928405 195032878 /nfs/dbraw/zinc/03/28/78/195032878.db2.gz UVLAVEOWJFNCEV-HOTGVXAUSA-N 1 3 290.476 3.167 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143136 296356897 /nfs/dbraw/zinc/35/68/97/296356897.db2.gz DUNRMBZNRRMVCX-TZMCWYRMSA-N 1 3 252.446 3.464 20 0 CGADHO CCN(Cc1cc(C)c(OC)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414709114 285094959 /nfs/dbraw/zinc/09/49/59/285094959.db2.gz DTKVUTJKQSNPIM-QGZVFWFLSA-N 1 3 290.451 3.276 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423360561 533060511 /nfs/dbraw/zinc/06/05/11/533060511.db2.gz FTFIIBLVZZGPJL-RWMBFGLXSA-N 1 3 264.438 3.329 20 0 CGADHO COCC[C@@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000414204905 285127903 /nfs/dbraw/zinc/12/79/03/285127903.db2.gz ORFNNVLOFVWFKH-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2cccnc21 ZINC000281162751 195131141 /nfs/dbraw/zinc/13/11/41/195131141.db2.gz GIOJRBMUIVLDLL-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2cccnc21 ZINC000281162751 195131143 /nfs/dbraw/zinc/13/11/43/195131143.db2.gz GIOJRBMUIVLDLL-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@H]2NCC(C)(C)[NH3+])cc1F ZINC000423286890 533138903 /nfs/dbraw/zinc/13/89/03/533138903.db2.gz JHXDKJYPWJLYFV-DZGCQCFKSA-N 1 3 294.414 3.187 20 0 CGADHO Cc1c[nH+]ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000306473757 542421141 /nfs/dbraw/zinc/42/11/41/542421141.db2.gz VFYAAIOKKUSPKX-MRXNPFEDSA-N 1 3 267.376 3.076 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348077729 542514143 /nfs/dbraw/zinc/51/41/43/542514143.db2.gz DZAMDNMFNHGDKI-FVQBIDKESA-N 1 3 250.430 3.029 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000312011983 285365035 /nfs/dbraw/zinc/36/50/35/285365035.db2.gz WRLJFUCSVXFQQD-JKSUJKDBSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423421481 533540605 /nfs/dbraw/zinc/54/06/05/533540605.db2.gz CEORQCMULGFMES-ZFWWWQNUSA-N 1 3 278.444 3.138 20 0 CGADHO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389241999 542606639 /nfs/dbraw/zinc/60/66/39/542606639.db2.gz KYFLZYHCSTZMMO-RDJZCZTQSA-N 1 3 298.434 3.007 20 0 CGADHO CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389241999 542606643 /nfs/dbraw/zinc/60/66/43/542606643.db2.gz KYFLZYHCSTZMMO-RDJZCZTQSA-N 1 3 298.434 3.007 20 0 CGADHO Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414910499 542639462 /nfs/dbraw/zinc/63/94/62/542639462.db2.gz CYEAKIJZXUPUMV-OLZOCXBDSA-N 1 3 252.789 3.008 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414933403 542640164 /nfs/dbraw/zinc/64/01/64/542640164.db2.gz WVQNFSHFDJTREK-WQVCFCJDSA-N 1 3 264.388 3.006 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000414928881 542640343 /nfs/dbraw/zinc/64/03/43/542640343.db2.gz QOMPYFUWPKENEY-BDXSIMOUSA-N 1 3 272.436 3.491 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1cccc(Cl)c1 ZINC000414923578 542641128 /nfs/dbraw/zinc/64/11/28/542641128.db2.gz IOPCASWBNYKKMR-BYCMXARLSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000414923578 542641130 /nfs/dbraw/zinc/64/11/30/542641130.db2.gz IOPCASWBNYKKMR-BYCMXARLSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414922842 542641228 /nfs/dbraw/zinc/64/12/28/542641228.db2.gz HJMHHHOPOOINEE-PVAVHDDUSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414931712 542641340 /nfs/dbraw/zinc/64/13/40/542641340.db2.gz UWNOOUBBBFKRMX-SNPRPXQTSA-N 1 3 264.388 3.006 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414935204 542641827 /nfs/dbraw/zinc/64/18/27/542641827.db2.gz AWPWHTGDKXZFHD-HNAYVOBHSA-N 1 3 280.415 3.441 20 0 CGADHO C[NH+](C)CCCN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000020525652 391940217 /nfs/dbraw/zinc/94/02/17/391940217.db2.gz ZAAGMXJSKJXGFP-MRXNPFEDSA-N 1 3 260.425 3.340 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358797 392182445 /nfs/dbraw/zinc/18/24/45/392182445.db2.gz KEPMZGIOWOKLKM-SJLPKXTDSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000070358797 392182448 /nfs/dbraw/zinc/18/24/48/392182448.db2.gz KEPMZGIOWOKLKM-SJLPKXTDSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)CCO1 ZINC000070358797 392182450 /nfs/dbraw/zinc/18/24/50/392182450.db2.gz KEPMZGIOWOKLKM-SJLPKXTDSA-N 1 3 296.499 3.434 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C12CCC2 ZINC000087708665 392225886 /nfs/dbraw/zinc/22/58/86/392225886.db2.gz HPVBCDSJWYEWFU-YESZJQIVSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000087708665 392225891 /nfs/dbraw/zinc/22/58/91/392225891.db2.gz HPVBCDSJWYEWFU-YESZJQIVSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000087708665 392225893 /nfs/dbraw/zinc/22/58/93/392225893.db2.gz HPVBCDSJWYEWFU-YESZJQIVSA-N 1 3 294.483 3.188 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250521926 131125921 /nfs/dbraw/zinc/12/59/21/131125921.db2.gz CQWVOHZCQYNDEC-KURKYZTESA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250521926 131125923 /nfs/dbraw/zinc/12/59/23/131125923.db2.gz CQWVOHZCQYNDEC-KURKYZTESA-N 1 3 284.447 3.323 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251129466 131128247 /nfs/dbraw/zinc/12/82/47/131128247.db2.gz TXHBPYKKRBYRIG-NXHRZFHOSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251129466 131128249 /nfs/dbraw/zinc/12/82/49/131128249.db2.gz TXHBPYKKRBYRIG-NXHRZFHOSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251129466 131128250 /nfs/dbraw/zinc/12/82/50/131128250.db2.gz TXHBPYKKRBYRIG-NXHRZFHOSA-N 1 3 272.436 3.224 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130253651 392453239 /nfs/dbraw/zinc/45/32/39/392453239.db2.gz SMVZLGNVZAKXRW-KFWWJZLASA-N 1 3 250.430 3.172 20 0 CGADHO COCC[N@H+](C)CCCN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000153800363 392529792 /nfs/dbraw/zinc/52/97/92/392529792.db2.gz PCYMSDVBVHJLJU-OAHLLOKOSA-N 1 3 296.430 3.061 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000153800363 392529795 /nfs/dbraw/zinc/52/97/95/392529795.db2.gz PCYMSDVBVHJLJU-OAHLLOKOSA-N 1 3 296.430 3.061 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398824 392507441 /nfs/dbraw/zinc/50/74/41/392507441.db2.gz WZZLPHPVKTZSLD-KDOFPFPSSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398824 392507447 /nfs/dbraw/zinc/50/74/47/392507447.db2.gz WZZLPHPVKTZSLD-KDOFPFPSSA-N 1 3 288.435 3.220 20 0 CGADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCN(CC)C1)CCC2 ZINC000163265406 392604988 /nfs/dbraw/zinc/60/49/88/392604988.db2.gz WBWHLHBOHQYVNR-OLZOCXBDSA-N 1 3 293.480 3.014 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000647344809 392694686 /nfs/dbraw/zinc/69/46/86/392694686.db2.gz ZQQOKJNFBPKFCA-NXHRZFHOSA-N 1 3 295.430 3.078 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647284567 392636831 /nfs/dbraw/zinc/63/68/31/392636831.db2.gz WIYSPEMVNRDQCE-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCCC12CCCC2)CN(C)C ZINC000310791303 392660190 /nfs/dbraw/zinc/66/01/90/392660190.db2.gz UUXMZXBHKAYIDU-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418150 392725077 /nfs/dbraw/zinc/72/50/77/392725077.db2.gz RNGYBYSUWUXOTK-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418150 392725084 /nfs/dbraw/zinc/72/50/84/392725084.db2.gz RNGYBYSUWUXOTK-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000334418150 392725090 /nfs/dbraw/zinc/72/50/90/392725090.db2.gz RNGYBYSUWUXOTK-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO C[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CNC1 ZINC000335059336 392768096 /nfs/dbraw/zinc/76/80/96/392768096.db2.gz KVCRCXDCIPEDPN-ZDUSSCGKSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH3+] ZINC000647498674 392742639 /nfs/dbraw/zinc/74/26/39/392742639.db2.gz MSOBQYGCXWPSRG-QFBILLFUSA-N 1 3 295.430 3.308 20 0 CGADHO c1ccc2oc([C@H]3CCCN(C[C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513613 392745639 /nfs/dbraw/zinc/74/56/39/392745639.db2.gz PLRQGKWFQYEOFZ-CABCVRRESA-N 1 3 299.418 3.007 20 0 CGADHO CC[C@@H]1CN(CCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647937136 392839678 /nfs/dbraw/zinc/83/96/78/392839678.db2.gz RHHDLCKPPXOYOD-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO [NH3+]CC1CCC(NC2(c3ccccc3Cl)CC2)CC1 ZINC000647801629 392803692 /nfs/dbraw/zinc/80/36/92/392803692.db2.gz ZVDFYGBLZWSAHQ-UHFFFAOYSA-N 1 3 278.827 3.436 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)CN1CCCCC1 ZINC000510724606 392811507 /nfs/dbraw/zinc/81/15/07/392811507.db2.gz YZPNTRWMBRIJCH-HYVNUMGLSA-N 1 3 264.457 3.277 20 0 CGADHO C([C@@H]1CC[NH2+]C1)N1CCCC2(C1)CCCCCC2 ZINC000647890006 392828404 /nfs/dbraw/zinc/82/84/04/392828404.db2.gz FIWRHQKRTHNIJI-OAHLLOKOSA-N 1 3 250.430 3.032 20 0 CGADHO CC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000647890820 392829138 /nfs/dbraw/zinc/82/91/38/392829138.db2.gz YZHIJKTUTONOIA-JZXOWHBKSA-N 1 3 272.436 3.112 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513208143 392853731 /nfs/dbraw/zinc/85/37/31/392853731.db2.gz NIUISFGEEFEILV-NJAFHUGGSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000513208143 392853740 /nfs/dbraw/zinc/85/37/40/392853740.db2.gz NIUISFGEEFEILV-NJAFHUGGSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H](NCCCC1CC[NH2+]CC1)c1c(C)noc1C ZINC000647992066 392860148 /nfs/dbraw/zinc/86/01/48/392860148.db2.gz ANOBHOJWQXPHPY-OAHLLOKOSA-N 1 3 279.428 3.112 20 0 CGADHO Cc1cccc([C@H](NC[C@H]2CC[NH2+]C2)C(C)(C)C)c1 ZINC000647992269 392860367 /nfs/dbraw/zinc/86/03/67/392860367.db2.gz YMYGSSFDQMAXNU-HOCLYGCPSA-N 1 3 260.425 3.281 20 0 CGADHO c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCN4CCC[C@H]4C3)C2)c1 ZINC000337344826 392880479 /nfs/dbraw/zinc/88/04/79/392880479.db2.gz ULQWGNNLUUCSJF-LULLPPNCSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000337344826 392880485 /nfs/dbraw/zinc/88/04/85/392880485.db2.gz ULQWGNNLUUCSJF-LULLPPNCSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000337344826 392880495 /nfs/dbraw/zinc/88/04/95/392880495.db2.gz ULQWGNNLUUCSJF-LULLPPNCSA-N 1 3 299.462 3.324 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCO[C@@H](CC)C1 ZINC000648400419 392998176 /nfs/dbraw/zinc/99/81/76/392998176.db2.gz BOXYXCJYVPAMKR-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648400419 392998184 /nfs/dbraw/zinc/99/81/84/392998184.db2.gz BOXYXCJYVPAMKR-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CCC[C@H]1C1CC1 ZINC000414184450 393042293 /nfs/dbraw/zinc/04/22/93/393042293.db2.gz FUUVJKXYVHILKC-NCOADZHNSA-N 1 3 262.441 3.029 20 0 CGADHO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000414822503 393054301 /nfs/dbraw/zinc/05/43/01/393054301.db2.gz AIZFZEZBTWXWCL-AEFFLSMTSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@H]1C1CCCCC1 ZINC000414825073 393054516 /nfs/dbraw/zinc/05/45/16/393054516.db2.gz RWQGKYPVZUVBGJ-BPUTZDHNSA-N 1 3 252.446 3.452 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414945776 393057957 /nfs/dbraw/zinc/05/79/57/393057957.db2.gz IVVPKAVOVZRXNT-RHSMWYFYSA-N 1 3 260.425 3.083 20 0 CGADHO CC(C)c1ccc(CCN[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414945776 393057961 /nfs/dbraw/zinc/05/79/61/393057961.db2.gz IVVPKAVOVZRXNT-RHSMWYFYSA-N 1 3 260.425 3.083 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)C[C@@H]1C ZINC000414944346 393058875 /nfs/dbraw/zinc/05/88/75/393058875.db2.gz GUKIGOBTONJZNQ-GCSSGZNBSA-N 1 3 252.446 3.177 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H]1c1ccccc1 ZINC000414954433 393063640 /nfs/dbraw/zinc/06/36/40/393063640.db2.gz MWPUTMABIJNEEB-HJWJTTGWSA-N 1 3 258.409 3.053 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414970936 393073886 /nfs/dbraw/zinc/07/38/86/393073886.db2.gz KYJYIVPGVPZUGR-QGZVFWFLSA-N 1 3 290.451 3.213 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000415045457 393111061 /nfs/dbraw/zinc/11/10/61/393111061.db2.gz UAZPJAWAERSEIL-PWSUYJOCSA-N 1 3 293.461 3.089 20 0 CGADHO CC(C)n1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415059653 393122195 /nfs/dbraw/zinc/12/21/95/393122195.db2.gz VFYRACJTADSKJS-KRWDZBQOSA-N 1 3 286.423 3.034 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000415067731 393125672 /nfs/dbraw/zinc/12/56/72/393125672.db2.gz LGQOXOZCHGKWPJ-QZTJIDSGSA-N 1 3 272.436 3.229 20 0 CGADHO [NH3+]CCCN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000415086053 393138713 /nfs/dbraw/zinc/13/87/13/393138713.db2.gz ROSLMBTVCWNTRN-CQSZACIVSA-N 1 3 297.240 3.229 20 0 CGADHO C[C@H](CN[C@@H](C)C[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000415089868 393140287 /nfs/dbraw/zinc/14/02/87/393140287.db2.gz YICKNQUDOKMGNU-MELADBBJSA-N 1 3 266.454 3.047 20 0 CGADHO CCC[C@@H](NCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000415110107 393146933 /nfs/dbraw/zinc/14/69/33/393146933.db2.gz QAHRUONCYCAWSA-CYBMUJFWSA-N 1 3 274.330 3.485 20 0 CGADHO C[C@H]1C[C@@H](CNCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000415110761 393147448 /nfs/dbraw/zinc/14/74/48/393147448.db2.gz QOFCTLHELHCXPC-QWRGUYRKSA-N 1 3 287.234 3.471 20 0 CGADHO C[C@H]1C[C@H](CN2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116116 393149321 /nfs/dbraw/zinc/14/93/21/393149321.db2.gz VSDSAZYIBWZEKQ-QWHCGFSZSA-N 1 3 278.827 3.086 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000271919907 393257068 /nfs/dbraw/zinc/25/70/68/393257068.db2.gz ZVWRXXARUASTHV-KBXCAEBGSA-N 1 3 270.420 3.477 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000475159438 393379695 /nfs/dbraw/zinc/37/96/95/393379695.db2.gz YDUWFZHPLTVWRK-JYJNAYRXSA-N 1 3 252.446 3.275 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420265458 393446106 /nfs/dbraw/zinc/44/61/06/393446106.db2.gz VHORIEOYLDOSBE-HUUCEWRRSA-N 1 3 295.430 3.151 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(C)Cc2ccc(C)cc2)cc1 ZINC000420295983 393453041 /nfs/dbraw/zinc/45/30/41/393453041.db2.gz BHYZXPLNBGNBRS-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2ccc(C)cc2)cc1 ZINC000420295983 393453045 /nfs/dbraw/zinc/45/30/45/393453045.db2.gz BHYZXPLNBGNBRS-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2ccc(C)cc2)cc1 ZINC000420295983 393453049 /nfs/dbraw/zinc/45/30/49/393453049.db2.gz BHYZXPLNBGNBRS-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(CCC(C)C)C2CC2)cc1 ZINC000420299493 393453822 /nfs/dbraw/zinc/45/38/22/393453822.db2.gz GQSOIGDNXHJNQE-MRXNPFEDSA-N 1 3 290.451 3.248 20 0 CGADHO CC[C@H](NCC[C@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000420391415 393482944 /nfs/dbraw/zinc/48/29/44/393482944.db2.gz AVMKYUFKHQQFEA-ABAIWWIYSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420396471 393483105 /nfs/dbraw/zinc/48/31/05/393483105.db2.gz FHRROTFGQGKQEL-VHRBIJSZSA-N 1 3 286.341 3.278 20 0 CGADHO Clc1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420365195 393474745 /nfs/dbraw/zinc/47/47/45/393474745.db2.gz DTKGITHMAPJJMM-LRDDRELGSA-N 1 3 278.827 3.380 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)CS1 ZINC000488563014 393539132 /nfs/dbraw/zinc/53/91/32/393539132.db2.gz SYJNZMRWKLYTSI-XHSDSOJGSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCC[C@H](C)[NH+]2CCCCC2)CS1 ZINC000488563014 393539140 /nfs/dbraw/zinc/53/91/40/393539140.db2.gz SYJNZMRWKLYTSI-XHSDSOJGSA-N 1 3 284.513 3.371 20 0 CGADHO c1ccc(C2CC2)c(CNCCC[NH2+]Cc2cccnc2)c1 ZINC000666805507 542816785 /nfs/dbraw/zinc/81/67/85/542816785.db2.gz IJGSGBYUXYACBO-UHFFFAOYSA-N 1 3 295.430 3.229 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCCNCC1 ZINC000666857834 542821667 /nfs/dbraw/zinc/82/16/67/542821667.db2.gz LLOMVXDDCUXUOW-NEPJUHHUSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)N[C@H]1CCC[NH2+]CC1 ZINC000666857834 542821672 /nfs/dbraw/zinc/82/16/72/542821672.db2.gz LLOMVXDDCUXUOW-NEPJUHHUSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCNCC1)c1cccc(Cl)c1 ZINC000666857632 542822159 /nfs/dbraw/zinc/82/21/59/542822159.db2.gz BSZFKISCVVVVQF-WFASDCNBSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)c1cccc(Cl)c1 ZINC000666857632 542822160 /nfs/dbraw/zinc/82/21/60/542822160.db2.gz BSZFKISCVVVVQF-WFASDCNBSA-N 1 3 266.816 3.175 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000432789542 393639536 /nfs/dbraw/zinc/63/95/36/393639536.db2.gz STWMLTSHRAFRSR-QZTJIDSGSA-N 1 3 296.499 3.293 20 0 CGADHO Cc1cccc(C2(C[NH2+][C@@H](C)C3CNC3)CCCCC2)c1 ZINC000422900120 393645620 /nfs/dbraw/zinc/64/56/20/393645620.db2.gz PWXHKBFLSWFEFK-INIZCTEOSA-N 1 3 286.463 3.394 20 0 CGADHO Cc1cccc(C2(CN[C@@H](C)C3C[NH2+]C3)CCCCC2)c1 ZINC000422900120 393645625 /nfs/dbraw/zinc/64/56/25/393645625.db2.gz PWXHKBFLSWFEFK-INIZCTEOSA-N 1 3 286.463 3.394 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OC ZINC000423000299 393647752 /nfs/dbraw/zinc/64/77/52/393647752.db2.gz UYTKTYPRAHXBGW-TVFCKZIOSA-N 1 3 296.499 3.338 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000423265756 393657695 /nfs/dbraw/zinc/65/76/95/393657695.db2.gz CYNORPXNCQKDHP-LESCRADOSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(-n2ccnc2)cc1 ZINC000423265756 393657701 /nfs/dbraw/zinc/65/77/01/393657701.db2.gz CYNORPXNCQKDHP-LESCRADOSA-N 1 3 298.434 3.040 20 0 CGADHO CC(C)(N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423282975 393659169 /nfs/dbraw/zinc/65/91/69/393659169.db2.gz DQSMFUOOLVHTJT-ZDUSSCGKSA-N 1 3 252.789 3.118 20 0 CGADHO C[C@@H](CN)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000423302319 393659985 /nfs/dbraw/zinc/65/99/85/393659985.db2.gz VLOSQABUNWUNIK-MAUKXSAKSA-N 1 3 274.452 3.362 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](N)C1CC1)CCS2 ZINC000423313357 393661533 /nfs/dbraw/zinc/66/15/33/393661533.db2.gz FOYIUTCFMRAKNM-HUUCEWRRSA-N 1 3 276.449 3.167 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000423333504 393662245 /nfs/dbraw/zinc/66/22/45/393662245.db2.gz HQFQVMJPGAUVKK-ZWKOTPCHSA-N 1 3 272.436 3.352 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(C)CCCNC1)CCC2 ZINC000423333504 393662247 /nfs/dbraw/zinc/66/22/47/393662247.db2.gz HQFQVMJPGAUVKK-ZWKOTPCHSA-N 1 3 272.436 3.352 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423383774 393665329 /nfs/dbraw/zinc/66/53/29/393665329.db2.gz KRWOFHCTOKWLFQ-PMPSAXMXSA-N 1 3 262.372 3.136 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000423456910 393668592 /nfs/dbraw/zinc/66/85/92/393668592.db2.gz DXARJNYVXVXBBU-GDBMZVCRSA-N 1 3 260.425 3.214 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000435374251 393714619 /nfs/dbraw/zinc/71/46/19/393714619.db2.gz PNGWEGKCASRUJE-YOEHRIQHSA-N 1 3 260.425 3.022 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCc2ccccc2C1 ZINC000499951169 393811745 /nfs/dbraw/zinc/81/17/45/393811745.db2.gz RPRNQJDJUQOGAC-KRWDZBQOSA-N 1 3 286.463 3.209 20 0 CGADHO CC(C)CCn1cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449556165 393900999 /nfs/dbraw/zinc/90/09/99/393900999.db2.gz LCBUXCXEBZBMCN-ALOPSCKCSA-N 1 3 289.467 3.249 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+]CCCN1CCCCC1 ZINC000501473535 393854056 /nfs/dbraw/zinc/85/40/56/393854056.db2.gz OUSNTJYQJXMDBD-UHFFFAOYSA-N 1 3 290.451 3.223 20 0 CGADHO COC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCCC1 ZINC000446750208 393862642 /nfs/dbraw/zinc/86/26/42/393862642.db2.gz FWSWJRNSBYZCBN-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446750208 393862644 /nfs/dbraw/zinc/86/26/44/393862644.db2.gz FWSWJRNSBYZCBN-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446750208 393862647 /nfs/dbraw/zinc/86/26/47/393862647.db2.gz FWSWJRNSBYZCBN-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993885 542832629 /nfs/dbraw/zinc/83/26/29/542832629.db2.gz QSGQFXQMXNMZDM-RDJZCZTQSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H](CCN[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666993885 542832632 /nfs/dbraw/zinc/83/26/32/542832632.db2.gz QSGQFXQMXNMZDM-RDJZCZTQSA-N 1 3 272.436 3.445 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993711 542832712 /nfs/dbraw/zinc/83/27/12/542832712.db2.gz GBQWQARLOXMPPI-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000666995519 542833699 /nfs/dbraw/zinc/83/36/99/542833699.db2.gz QCIAAASIPPAYAZ-HZPDHXFCSA-N 1 3 290.838 3.072 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666995519 542833702 /nfs/dbraw/zinc/83/37/02/542833702.db2.gz QCIAAASIPPAYAZ-HZPDHXFCSA-N 1 3 290.838 3.072 20 0 CGADHO CCc1ccc(C[NH2+][C@H]2CCNC3(CCC3)C2)s1 ZINC000666998227 542835231 /nfs/dbraw/zinc/83/52/31/542835231.db2.gz ISGKSSDBULBQLG-LBPRGKRZSA-N 1 3 264.438 3.075 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCCc2cccnc2)C1 ZINC000453103937 394172411 /nfs/dbraw/zinc/17/24/11/394172411.db2.gz YEOMNZMXBDWQHX-FUHWJXTLSA-N 1 3 289.467 3.114 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453104358 394172690 /nfs/dbraw/zinc/17/26/90/394172690.db2.gz ZIGPCIOBZQGOLW-WMLDXEAASA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1coc2ccccc12)CN(C)C ZINC000453227980 394212396 /nfs/dbraw/zinc/21/23/96/394212396.db2.gz DAUNUYISTWZLHV-ZIAGYGMSSA-N 1 3 274.408 3.151 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000453256677 394222813 /nfs/dbraw/zinc/22/28/13/394222813.db2.gz MHKUPBLUQOOMCI-GUTXKFCHSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000453256677 394222817 /nfs/dbraw/zinc/22/28/17/394222817.db2.gz MHKUPBLUQOOMCI-GUTXKFCHSA-N 1 3 264.388 3.267 20 0 CGADHO CC1=C[C@H](C)C[C@@H](CN2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668785434 543061344 /nfs/dbraw/zinc/06/13/44/543061344.db2.gz QCSLFQGFCNYTFE-JQHSSLGASA-N 1 3 294.483 3.021 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CS1 ZINC000668818756 543066250 /nfs/dbraw/zinc/06/62/50/543066250.db2.gz KSTMLWKBWSAMHS-ZACQAIPSSA-N 1 3 296.524 3.228 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000668818175 543066548 /nfs/dbraw/zinc/06/65/48/543066548.db2.gz FRGNQVWAPOQULU-ZBFHGGJFSA-N 1 3 266.473 3.380 20 0 CGADHO C[C@H](C[NH2+]CC(C)(C)CN1CCCC1)C(C)(C)C ZINC000670269929 543150195 /nfs/dbraw/zinc/15/01/95/543150195.db2.gz AKGLSADUFWMQSH-CQSZACIVSA-N 1 3 254.462 3.380 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917712 397609972 /nfs/dbraw/zinc/60/99/72/397609972.db2.gz TYQQYKCGJCYVPT-ROUUACIJSA-N 1 3 272.436 3.267 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000062077696 397638330 /nfs/dbraw/zinc/63/83/30/397638330.db2.gz XCYLZJGHXAADPO-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H](C[NH2+]C1CC(c2cccc(F)c2)C1)CN1CCCC1 ZINC000062078461 397638457 /nfs/dbraw/zinc/63/84/57/397638457.db2.gz YVUHGWAUWBYKJI-NXVRBGIVSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@@H](CNC1CC(c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000062078461 397638459 /nfs/dbraw/zinc/63/84/59/397638459.db2.gz YVUHGWAUWBYKJI-NXVRBGIVSA-N 1 3 290.426 3.393 20 0 CGADHO CC(C)C[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000575452526 397713135 /nfs/dbraw/zinc/71/31/35/397713135.db2.gz GVAXBXSOSBVRFM-OAHLLOKOSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000575452526 397713136 /nfs/dbraw/zinc/71/31/36/397713136.db2.gz GVAXBXSOSBVRFM-OAHLLOKOSA-N 1 3 252.446 3.371 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc2cccnc12 ZINC000650709281 397898256 /nfs/dbraw/zinc/89/82/56/397898256.db2.gz ORHNQSPAYZBKSP-HKUYNNGSSA-N 1 3 295.430 3.104 20 0 CGADHO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc2cccnc12 ZINC000650709281 397898258 /nfs/dbraw/zinc/89/82/58/397898258.db2.gz ORHNQSPAYZBKSP-HKUYNNGSSA-N 1 3 295.430 3.104 20 0 CGADHO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc2cccnc12 ZINC000650709281 397898262 /nfs/dbraw/zinc/89/82/62/397898262.db2.gz ORHNQSPAYZBKSP-HKUYNNGSSA-N 1 3 295.430 3.104 20 0 CGADHO CCc1ccc(CNCc2ccccc2C[NH2+]C)cc1 ZINC000650718863 397901573 /nfs/dbraw/zinc/90/15/73/397901573.db2.gz YPOPATJUVACBSS-UHFFFAOYSA-N 1 3 268.404 3.258 20 0 CGADHO CCC[NH+]1CCC(N[C@H](C)COc2cccc(F)c2)CC1 ZINC000675763104 543361578 /nfs/dbraw/zinc/36/15/78/543361578.db2.gz DJOKSYFAZWLMTA-CQSZACIVSA-N 1 3 294.414 3.057 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000675751918 543361060 /nfs/dbraw/zinc/36/10/60/543361060.db2.gz GJZFTJOSYGKVPU-ARFHVFGLSA-N 1 3 250.430 3.338 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](C)c1ccccc1 ZINC000675752121 543361102 /nfs/dbraw/zinc/36/11/02/543361102.db2.gz KWODFYLHHKAMDQ-ATLSCFEFSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](C)c1ccccc1 ZINC000675752121 543361104 /nfs/dbraw/zinc/36/11/04/543361104.db2.gz KWODFYLHHKAMDQ-ATLSCFEFSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H](C)c1ccccc1 ZINC000675752121 543361106 /nfs/dbraw/zinc/36/11/06/543361106.db2.gz KWODFYLHHKAMDQ-ATLSCFEFSA-N 1 3 272.436 3.395 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)c(C)n1 ZINC000678412210 543521841 /nfs/dbraw/zinc/52/18/41/543521841.db2.gz TUGLIJDDJFJAKS-HNNXBMFYSA-N 1 3 275.440 3.225 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000423356943 296616543 /nfs/dbraw/zinc/61/65/43/296616543.db2.gz HQEGSXWMZOCRJH-SQNIBIBYSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H](N[C@H]1COc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000678598002 543541254 /nfs/dbraw/zinc/54/12/54/543541254.db2.gz OJSAETNDKOAZBT-ABAIWWIYSA-N 1 3 294.826 3.093 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000678728844 543550785 /nfs/dbraw/zinc/55/07/85/543550785.db2.gz PXMJXFFOWOIFJS-MRXNPFEDSA-N 1 3 274.452 3.284 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCSCC1 ZINC000249783889 287024478 /nfs/dbraw/zinc/02/44/78/287024478.db2.gz DFIOPYPSZDUZHJ-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000246939934 287022422 /nfs/dbraw/zinc/02/24/22/287022422.db2.gz HPFRONQENDRDMN-HUUCEWRRSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000246939934 287022426 /nfs/dbraw/zinc/02/24/26/287022426.db2.gz HPFRONQENDRDMN-HUUCEWRRSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000245925452 287022529 /nfs/dbraw/zinc/02/25/29/287022529.db2.gz OMANFNMRQUXBCS-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccn1 ZINC000245925452 287022530 /nfs/dbraw/zinc/02/25/30/287022530.db2.gz OMANFNMRQUXBCS-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000245604861 287022976 /nfs/dbraw/zinc/02/29/76/287022976.db2.gz LYCCBXFHIPHDIQ-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000245604861 287022977 /nfs/dbraw/zinc/02/29/77/287022977.db2.gz LYCCBXFHIPHDIQ-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)CN1CCCC1 ZINC000079979204 287061975 /nfs/dbraw/zinc/06/19/75/287061975.db2.gz GFBPDHKPRKJLFV-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461039 165146794 /nfs/dbraw/zinc/14/67/94/165146794.db2.gz AWHXLLDYEJNJDU-WBVHZDCISA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C)c2)[C@H](C)C1 ZINC000079461039 165146797 /nfs/dbraw/zinc/14/67/97/165146797.db2.gz AWHXLLDYEJNJDU-WBVHZDCISA-N 1 3 260.425 3.157 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000093215509 165326997 /nfs/dbraw/zinc/32/69/97/165326997.db2.gz LLDBEDBLOOXQFK-LEWSCRJBSA-N 1 3 297.240 3.370 20 0 CGADHO c1cc(C2CC2)ccc1C[NH2+]CCCN1CCCC1 ZINC000094518042 165352350 /nfs/dbraw/zinc/35/23/50/165352350.db2.gz OCANBAJJOVMUCJ-UHFFFAOYSA-N 1 3 258.409 3.140 20 0 CGADHO CC[C@H](C)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000093067051 287114693 /nfs/dbraw/zinc/11/46/93/287114693.db2.gz PZZUGLBGEDLWAN-FUHWJXTLSA-N 1 3 274.452 3.187 20 0 CGADHO Cc1ccc(SCC[N@H+]2CC[C@@H](CN(C)C)C2)cc1C ZINC000114478826 287151613 /nfs/dbraw/zinc/15/16/13/287151613.db2.gz YBTYCWKOUGSFGE-INIZCTEOSA-N 1 3 292.492 3.279 20 0 CGADHO Cc1ccc(SCC[N@@H+]2CC[C@@H](CN(C)C)C2)cc1C ZINC000114478826 287151615 /nfs/dbraw/zinc/15/16/15/287151615.db2.gz YBTYCWKOUGSFGE-INIZCTEOSA-N 1 3 292.492 3.279 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000124823068 287237559 /nfs/dbraw/zinc/23/75/59/287237559.db2.gz YMIOQLITNLXOLZ-GOSISDBHSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000124823068 287237560 /nfs/dbraw/zinc/23/75/60/287237560.db2.gz YMIOQLITNLXOLZ-GOSISDBHSA-N 1 3 272.436 3.350 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCC1CC[NH+](C)CC1 ZINC000126370065 287262703 /nfs/dbraw/zinc/26/27/03/287262703.db2.gz BTSZLTQGAKSPRD-LBPRGKRZSA-N 1 3 296.842 3.341 20 0 CGADHO CCCN(CCOc1cc(C)ccc1C)C1CC[NH2+]CC1 ZINC000037539182 173260258 /nfs/dbraw/zinc/26/02/58/173260258.db2.gz NKCFSYBTHWDHPW-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CCC[N@H+](CCOc1cc(C)ccc1C)C1CCNCC1 ZINC000037539182 173260261 /nfs/dbraw/zinc/26/02/61/173260261.db2.gz NKCFSYBTHWDHPW-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CCC[N@@H+](CCOc1cc(C)ccc1C)C1CCNCC1 ZINC000037539182 173260263 /nfs/dbraw/zinc/26/02/63/173260263.db2.gz NKCFSYBTHWDHPW-UHFFFAOYSA-N 1 3 290.451 3.146 20 0 CGADHO CCCN(Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000037539260 173260541 /nfs/dbraw/zinc/26/05/41/173260541.db2.gz OJROJHDSFLVTLM-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO CCC[N@H+](Cc1cccc(Cl)c1)C1CCNCC1 ZINC000037539260 173260543 /nfs/dbraw/zinc/26/05/43/173260543.db2.gz OJROJHDSFLVTLM-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO CCC[N@@H+](Cc1cccc(Cl)c1)C1CCNCC1 ZINC000037539260 173260544 /nfs/dbraw/zinc/26/05/44/173260544.db2.gz OJROJHDSFLVTLM-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCc2ccccc21)CN1CCCCC1 ZINC000038041789 174043021 /nfs/dbraw/zinc/04/30/21/174043021.db2.gz VEROZPDJAQSQDH-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252173339 287287434 /nfs/dbraw/zinc/28/74/34/287287434.db2.gz OLEPUPMWEUYMOK-WCVJEAGWSA-N 1 3 250.430 3.029 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(Cc2c(C)cc(C)cc2C)C1 ZINC000040591823 174347358 /nfs/dbraw/zinc/34/73/58/174347358.db2.gz QNBXCDOHEJQSHY-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1CCC(C[NH3+])CC1 ZINC000044512082 175188524 /nfs/dbraw/zinc/18/85/24/175188524.db2.gz YPRPSSGJDXARKV-LLVKDONJSA-N 1 3 252.789 3.072 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCSC2)CC1 ZINC000358191941 287311210 /nfs/dbraw/zinc/31/12/10/287311210.db2.gz POCIMYMHSLPQNM-VNQPRFMTSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000358191941 287311212 /nfs/dbraw/zinc/31/12/12/287311212.db2.gz POCIMYMHSLPQNM-VNQPRFMTSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1ccc(Cl)s1 ZINC000226350933 416522138 /nfs/dbraw/zinc/52/21/38/416522138.db2.gz XJFCCFKPPHSVJJ-QWRGUYRKSA-N 1 3 272.845 3.064 20 0 CGADHO CSc1ccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404343483 416551893 /nfs/dbraw/zinc/55/18/93/416551893.db2.gz GAFHRGNKGSFILH-CJNGLKHVSA-N 1 3 278.465 3.358 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)CN1CCCCC1 ZINC000129492322 287333250 /nfs/dbraw/zinc/33/32/50/287333250.db2.gz FRYRXRZDMQEAAP-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000679536495 543644187 /nfs/dbraw/zinc/64/41/87/543644187.db2.gz LZQRSHZMZAXJNP-QGZVFWFLSA-N 1 3 274.452 3.380 20 0 CGADHO CCN(CC)CCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000679536495 543644188 /nfs/dbraw/zinc/64/41/88/543644188.db2.gz LZQRSHZMZAXJNP-QGZVFWFLSA-N 1 3 274.452 3.380 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2occc2c1 ZINC000334749404 225272345 /nfs/dbraw/zinc/27/23/45/225272345.db2.gz JXLQFQCXGGZNRU-CZUORRHYSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2occc2c1 ZINC000334749404 225272348 /nfs/dbraw/zinc/27/23/48/225272348.db2.gz JXLQFQCXGGZNRU-CZUORRHYSA-N 1 3 272.392 3.205 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000132165589 287398503 /nfs/dbraw/zinc/39/85/03/287398503.db2.gz YDEKCKGCDKTIJU-INIZCTEOSA-N 1 3 292.492 3.194 20 0 CGADHO C(=C\c1ccccc1)\C[NH2+]C1CC(N2CCCCC2)C1 ZINC000684425737 543998765 /nfs/dbraw/zinc/99/87/65/543998765.db2.gz NEGJBYFAGGZZLO-YFHOEESVSA-N 1 3 270.420 3.306 20 0 CGADHO c1ccc2c(c1)CC(C[N@H+]1CC[C@H](CN3CCCCC3)C1)C2 ZINC000685838124 544100473 /nfs/dbraw/zinc/10/04/73/544100473.db2.gz NKMMVIARRLGQKL-QGZVFWFLSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC(C[N@@H+]1CC[C@H](CN3CCCCC3)C1)C2 ZINC000685838124 544100476 /nfs/dbraw/zinc/10/04/76/544100476.db2.gz NKMMVIARRLGQKL-QGZVFWFLSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC(CN1CC[C@H](C[NH+]3CCCCC3)C1)C2 ZINC000685838124 544100479 /nfs/dbraw/zinc/10/04/79/544100479.db2.gz NKMMVIARRLGQKL-QGZVFWFLSA-N 1 3 298.474 3.209 20 0 CGADHO c1cc2c(o1)CCC[C@H]2NCC1CC[NH+](CC2CC2)CC1 ZINC000658356918 418950699 /nfs/dbraw/zinc/95/06/99/418950699.db2.gz QDWKEVGCICGVJH-QGZVFWFLSA-N 1 3 288.435 3.369 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000652306791 418951091 /nfs/dbraw/zinc/95/10/91/418951091.db2.gz CWNGRINUFUSHCY-KURKYZTESA-N 1 3 272.436 3.211 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000652306791 418951093 /nfs/dbraw/zinc/95/10/93/418951093.db2.gz CWNGRINUFUSHCY-KURKYZTESA-N 1 3 272.436 3.211 20 0 CGADHO C[N@H+](CCc1ccc(F)cc1)Cc1ccc2c(c1)CNCC2 ZINC000652337021 418954328 /nfs/dbraw/zinc/95/43/28/418954328.db2.gz AYDRTUNQXZCIQF-UHFFFAOYSA-N 1 3 298.405 3.146 20 0 CGADHO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc2c(c1)CNCC2 ZINC000652337021 418954332 /nfs/dbraw/zinc/95/43/32/418954332.db2.gz AYDRTUNQXZCIQF-UHFFFAOYSA-N 1 3 298.405 3.146 20 0 CGADHO CC[C@H](COCC1CC1)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665236036 419086934 /nfs/dbraw/zinc/08/69/34/419086934.db2.gz FVWGCVHBXSCUGN-USXIJHARSA-N 1 3 282.472 3.092 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCCc3ccccc32)CCCC1 ZINC000665249710 419093049 /nfs/dbraw/zinc/09/30/49/419093049.db2.gz XJMOYLWKQXRDLE-MRXNPFEDSA-N 1 3 258.409 3.315 20 0 CGADHO NC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CCCC1 ZINC000665249226 419093096 /nfs/dbraw/zinc/09/30/96/419093096.db2.gz LSQQURHRSGQBOP-CQSZACIVSA-N 1 3 264.800 3.188 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665273659 419097767 /nfs/dbraw/zinc/09/77/67/419097767.db2.gz AXYHSLMLXXLIOY-TWMKSMIVSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1C(C)(C)C1(F)F ZINC000665274422 419098899 /nfs/dbraw/zinc/09/88/99/419098899.db2.gz PWSOPKYPEDWXNY-UPJWGTAASA-N 1 3 274.399 3.178 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc(Cl)c1 ZINC000665280309 419102060 /nfs/dbraw/zinc/10/20/60/419102060.db2.gz YEQRTBSFRGWUBU-BXUZGUMPSA-N 1 3 254.805 3.364 20 0 CGADHO COCCC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(F)cc1 ZINC000665282151 419102514 /nfs/dbraw/zinc/10/25/14/419102514.db2.gz RWANOKLROHZWJN-IAGOWNOFSA-N 1 3 296.430 3.256 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1CC1 ZINC000665281693 419102612 /nfs/dbraw/zinc/10/26/12/419102612.db2.gz JJVZXPSNUJGMEA-QZTJIDSGSA-N 1 3 274.452 3.279 20 0 CGADHO Cc1ccccc1C[C@@H](NCC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000665281693 419102613 /nfs/dbraw/zinc/10/26/13/419102613.db2.gz JJVZXPSNUJGMEA-QZTJIDSGSA-N 1 3 274.452 3.279 20 0 CGADHO C[C@@H](NCC(C)(C)CC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665301187 419112690 /nfs/dbraw/zinc/11/26/90/419112690.db2.gz QVOCOAFKLRCBBE-MNOVXSKESA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H](NCC(C)(C)CC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000665301188 419112774 /nfs/dbraw/zinc/11/27/74/419112774.db2.gz QVOCOAFKLRCBBE-QWRGUYRKSA-N 1 3 266.351 3.085 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](OC)C2CCCCC2)C1 ZINC000659975450 419050891 /nfs/dbraw/zinc/05/08/91/419050891.db2.gz LOOXXPABHIBOIR-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659975450 419050895 /nfs/dbraw/zinc/05/08/95/419050895.db2.gz LOOXXPABHIBOIR-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659975450 419050896 /nfs/dbraw/zinc/05/08/96/419050896.db2.gz LOOXXPABHIBOIR-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CS1 ZINC000655683663 419063834 /nfs/dbraw/zinc/06/38/34/419063834.db2.gz UGRFMMGLDRKPQR-NEPJUHHUSA-N 1 3 270.486 3.169 20 0 CGADHO C[C@@H]1CC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CS1 ZINC000655683663 419063837 /nfs/dbraw/zinc/06/38/37/419063837.db2.gz UGRFMMGLDRKPQR-NEPJUHHUSA-N 1 3 270.486 3.169 20 0 CGADHO CSc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198733 419148649 /nfs/dbraw/zinc/14/86/49/419148649.db2.gz FTFIIBLVZZGPJL-JHJVBQTASA-N 1 3 264.438 3.329 20 0 CGADHO CC(C)NC1(CO)CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000660673681 419180930 /nfs/dbraw/zinc/18/09/30/419180930.db2.gz BMRQQSYNJKIUSE-MRXNPFEDSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)[NH2+]C1(CO)CCN(C[C@H]2CCCCC2(C)C)CC1 ZINC000660673681 419180932 /nfs/dbraw/zinc/18/09/32/419180932.db2.gz BMRQQSYNJKIUSE-MRXNPFEDSA-N 1 3 296.499 3.028 20 0 CGADHO c1ccc(C[NH2+]C2CCN(CCC3CC3)CC2)cc1 ZINC000660679952 419182185 /nfs/dbraw/zinc/18/21/85/419182185.db2.gz UVKYOGUVYLRWDO-UHFFFAOYSA-N 1 3 258.409 3.041 20 0 CGADHO Cc1cc(F)ccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785999 419219258 /nfs/dbraw/zinc/21/92/58/419219258.db2.gz PJQNTCWEMGBXML-MRXNPFEDSA-N 1 3 290.426 3.346 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)NCC1([NH3+])CCCC1 ZINC000656789664 419220749 /nfs/dbraw/zinc/22/07/49/419220749.db2.gz VABXVPHJINOLIP-CYBMUJFWSA-N 1 3 264.388 3.008 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2nccc3ccccc32)C1 ZINC000657182826 419230058 /nfs/dbraw/zinc/23/00/58/419230058.db2.gz GMUAZIKGTFJKCF-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2nccc3ccccc32)C1 ZINC000657182826 419230062 /nfs/dbraw/zinc/23/00/62/419230062.db2.gz GMUAZIKGTFJKCF-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CC1(C)OCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657785834 419349914 /nfs/dbraw/zinc/34/99/14/419349914.db2.gz ICOXTFWLWDSJBN-OAHLLOKOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cc2ccncc2s1 ZINC000657857816 419390058 /nfs/dbraw/zinc/39/00/58/419390058.db2.gz CTCQOJULWQPEMB-NWDGAFQWSA-N 1 3 277.437 3.287 20 0 CGADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662272504 419380431 /nfs/dbraw/zinc/38/04/31/419380431.db2.gz FVQMIGHYVPOTAZ-IRXDYDNUSA-N 1 3 272.436 3.310 20 0 CGADHO NCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662272504 419380436 /nfs/dbraw/zinc/38/04/36/419380436.db2.gz FVQMIGHYVPOTAZ-IRXDYDNUSA-N 1 3 272.436 3.310 20 0 CGADHO CC1(C)CCCC[C@@H]1C[NH2+][C@H]1CCNCC1(C)C ZINC000662276577 419383291 /nfs/dbraw/zinc/38/32/91/419383291.db2.gz KPDKUZLWROMJAM-KGLIPLIRSA-N 1 3 252.446 3.181 20 0 CGADHO [NH3+]CCC1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000662285173 419384644 /nfs/dbraw/zinc/38/46/44/419384644.db2.gz YWRYGTBHMFLIJZ-UHFFFAOYSA-N 1 3 298.883 3.493 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663347882 419568481 /nfs/dbraw/zinc/56/84/81/419568481.db2.gz ZECBHVLKFSQIHO-HYVNUMGLSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1ccc(C(F)F)cc1 ZINC000663502108 419634851 /nfs/dbraw/zinc/63/48/51/419634851.db2.gz FSVLVHMNJDTFIA-CYBMUJFWSA-N 1 3 256.340 3.087 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467734 419621564 /nfs/dbraw/zinc/62/15/64/419621564.db2.gz HQCKVIUNGGHQLG-RDJZCZTQSA-N 1 3 290.451 3.312 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469527 419626721 /nfs/dbraw/zinc/62/67/21/419626721.db2.gz QCFMYRIELZWCEJ-WMLDXEAASA-N 1 3 264.457 3.277 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCC34CCC4)CC2)ccn1 ZINC000658163716 419627484 /nfs/dbraw/zinc/62/74/84/419627484.db2.gz AEOMFRUYUWGCPE-GOSISDBHSA-N 1 3 299.462 3.216 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)C ZINC000658165746 419629796 /nfs/dbraw/zinc/62/97/96/419629796.db2.gz GCEKLJXDBLSENX-SFHVURJKSA-N 1 3 289.467 3.318 20 0 CGADHO CC(F)(F)CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000390113763 262128827 /nfs/dbraw/zinc/12/88/27/262128827.db2.gz YRDXLLYXONZVQB-QWHCGFSZSA-N 1 3 254.324 3.156 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000390557709 262217576 /nfs/dbraw/zinc/21/75/76/262217576.db2.gz LUTBAPGXLGSVKA-CBBWQLFWSA-N 1 3 286.410 3.322 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000347966528 265138995 /nfs/dbraw/zinc/13/89/95/265138995.db2.gz GXNAPYPPTIVDGR-UHFFFAOYSA-N 1 3 282.378 3.398 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305168341 270092393 /nfs/dbraw/zinc/09/23/93/270092393.db2.gz ZAYZSEQBSLBHST-NVXWUHKLSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000305168341 270092394 /nfs/dbraw/zinc/09/23/94/270092394.db2.gz ZAYZSEQBSLBHST-NVXWUHKLSA-N 1 3 296.499 3.170 20 0 CGADHO c1cc([C@@H]2CCCN2Cc2ccc3c(c2)C[NH2+]CC3)ccn1 ZINC000522007163 270103737 /nfs/dbraw/zinc/10/37/37/270103737.db2.gz BUYNOBJTLXYFKE-IBGZPJMESA-N 1 3 293.414 3.064 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527868223 270140908 /nfs/dbraw/zinc/14/09/08/270140908.db2.gz CPCZMLDFPUAXKK-OAGGEKHMSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000527929464 270144987 /nfs/dbraw/zinc/14/49/87/270144987.db2.gz SCPCFAVWRNRNKA-KFWWJZLASA-N 1 3 264.457 3.275 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568540 270185287 /nfs/dbraw/zinc/18/52/87/270185287.db2.gz BEBVYMZBJPIWRZ-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568540 270185288 /nfs/dbraw/zinc/18/52/88/270185288.db2.gz BEBVYMZBJPIWRZ-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568540 270185289 /nfs/dbraw/zinc/18/52/89/270185289.db2.gz BEBVYMZBJPIWRZ-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568540 270185290 /nfs/dbraw/zinc/18/52/90/270185290.db2.gz BEBVYMZBJPIWRZ-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000530217348 270196165 /nfs/dbraw/zinc/19/61/65/270196165.db2.gz GQBWOAYSZNLNRU-BRWVUGGUSA-N 1 3 260.425 3.257 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530217725 270196206 /nfs/dbraw/zinc/19/62/06/270196206.db2.gz HFLSRNBCLHBYAE-IAGOWNOFSA-N 1 3 290.426 3.267 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000530242748 270197365 /nfs/dbraw/zinc/19/73/65/270197365.db2.gz CXFSDMIHMRMDIP-ZFWWWQNUSA-N 1 3 266.816 3.290 20 0 CGADHO C[C@@H](CN(C)C[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249277 270197522 /nfs/dbraw/zinc/19/75/22/270197522.db2.gz UOVSZMRYFASFNP-GOEBONIOSA-N 1 3 252.446 3.134 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517588 270200667 /nfs/dbraw/zinc/20/06/67/270200667.db2.gz DEGXIAXWMAGFKY-IRXDYDNUSA-N 1 3 294.483 3.284 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530517588 270200668 /nfs/dbraw/zinc/20/06/68/270200668.db2.gz DEGXIAXWMAGFKY-IRXDYDNUSA-N 1 3 294.483 3.284 20 0 CGADHO Cc1ccoc1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000531430126 270206673 /nfs/dbraw/zinc/20/66/73/270206673.db2.gz FIHXUNZAIRKRBO-UHFFFAOYSA-N 1 3 278.440 3.436 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000132234690 274239075 /nfs/dbraw/zinc/23/90/75/274239075.db2.gz JYYBJENSKNJXOG-ZIAGYGMSSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407903 274377680 /nfs/dbraw/zinc/37/76/80/274377680.db2.gz WMPYUZJAMSXLLN-PVUWLOKVSA-N 1 3 283.419 3.133 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407903 274377681 /nfs/dbraw/zinc/37/76/81/274377681.db2.gz WMPYUZJAMSXLLN-PVUWLOKVSA-N 1 3 283.419 3.133 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1Cc1cccc2ccccc21 ZINC000131596776 274385079 /nfs/dbraw/zinc/38/50/79/274385079.db2.gz AISCJTVHJQCOIY-KGLIPLIRSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1Cc1cccc2ccccc21 ZINC000131596776 274385080 /nfs/dbraw/zinc/38/50/80/274385080.db2.gz AISCJTVHJQCOIY-KGLIPLIRSA-N 1 3 254.377 3.009 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3c(F)cc(F)cc3[C@@H]2C)CC[NH2+]1 ZINC000414708358 274385661 /nfs/dbraw/zinc/38/56/61/274385661.db2.gz NSZUBWSADXGODJ-AGIUHOORSA-N 1 3 294.389 3.272 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414926526 275565106 /nfs/dbraw/zinc/56/51/06/275565106.db2.gz NJQLNCKXRCYTCO-JJXSEGSLSA-N 1 3 252.446 3.451 20 0 CGADHO CC(C)[NH2+]C1CCN(CC2CCC(C)CC2)CC1 ZINC000179838288 275656590 /nfs/dbraw/zinc/65/65/90/275656590.db2.gz ZCTBRHYKKXLIPB-UHFFFAOYSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000422718168 275678904 /nfs/dbraw/zinc/67/89/04/275678904.db2.gz PFWCQJLIFDCXBC-JJXSEGSLSA-N 1 3 252.446 3.179 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCOCC1 ZINC000261672101 275964222 /nfs/dbraw/zinc/96/42/22/275964222.db2.gz LLYVLRCHGUWGEU-GVDBMIGSSA-N 1 3 294.483 3.094 20 0 CGADHO CCCC[C@H](COC)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422762133 275985388 /nfs/dbraw/zinc/98/53/88/275985388.db2.gz RSYAKFCKZCIKHU-ARFHVFGLSA-N 1 3 270.461 3.092 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422691734 276019148 /nfs/dbraw/zinc/01/91/48/276019148.db2.gz IWCOOIASXRMZKA-MAUKXSAKSA-N 1 3 290.451 3.091 20 0 CGADHO CC1(C)CC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423527398 276118114 /nfs/dbraw/zinc/11/81/14/276118114.db2.gz MHSFGUNNARETSW-STWSTGMMSA-N 1 3 276.468 3.308 20 0 CGADHO CCN(CC)CCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352189624 276324132 /nfs/dbraw/zinc/32/41/32/276324132.db2.gz NCJZMPIGTBYZHZ-UHFFFAOYSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000131226415 277386661 /nfs/dbraw/zinc/38/66/61/277386661.db2.gz XPAWSWYWMIUQDL-HNNXBMFYSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H](CC[NH2+][C@H](C1CC1)C1CCC1)N1CCCCC1 ZINC000453189216 277565075 /nfs/dbraw/zinc/56/50/75/277565075.db2.gz CNRCXFWYTNAUOE-YOEHRIQHSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC([NH2+]Cc2ccc3c(c2)CNC3)C[C@@H](C)C1 ZINC000423369608 277666674 /nfs/dbraw/zinc/66/66/74/277666674.db2.gz FFASFAVJHSXBPW-STQMWFEESA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H]1C ZINC000423395905 277710571 /nfs/dbraw/zinc/71/05/71/277710571.db2.gz SABYTMXUHVNIDD-PBFPGSCMSA-N 1 3 258.409 3.204 20 0 CGADHO C[N@H+](CCC1CCCCCC1)[C@@H]1CCCNCC1 ZINC000394537166 288002427 /nfs/dbraw/zinc/00/24/27/288002427.db2.gz PPKRLTNZHKFICB-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCNCC1 ZINC000394537166 288002430 /nfs/dbraw/zinc/00/24/30/288002430.db2.gz PPKRLTNZHKFICB-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO CSC1(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCC1 ZINC000368218213 278123732 /nfs/dbraw/zinc/12/37/32/278123732.db2.gz WGXJLVLJIRYXIL-OAHLLOKOSA-N 1 3 282.497 3.080 20 0 CGADHO CSC1(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CCC1 ZINC000368218213 278123734 /nfs/dbraw/zinc/12/37/34/278123734.db2.gz WGXJLVLJIRYXIL-OAHLLOKOSA-N 1 3 282.497 3.080 20 0 CGADHO CSC1(CN2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000368218213 278123737 /nfs/dbraw/zinc/12/37/37/278123737.db2.gz WGXJLVLJIRYXIL-OAHLLOKOSA-N 1 3 282.497 3.080 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1COC(C)(C)C1 ZINC000396779037 288016500 /nfs/dbraw/zinc/01/65/00/288016500.db2.gz FFDVPZURIIDTJN-KRWDZBQOSA-N 1 3 290.451 3.186 20 0 CGADHO CC1(C)CCC(C[NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000414905362 278197251 /nfs/dbraw/zinc/19/72/51/278197251.db2.gz OODSTTZLIYJFRO-MRXNPFEDSA-N 1 3 252.446 3.182 20 0 CGADHO C[C@H](CN[C@@H]1c2ccccc2C[C@@H]1C)C[NH+]1CCCC1 ZINC000481313650 278210119 /nfs/dbraw/zinc/21/01/19/278210119.db2.gz OIEKSGWDUJBXJV-VKJFTORMSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1C)CN1CCCC1 ZINC000481313650 278210120 /nfs/dbraw/zinc/21/01/20/278210120.db2.gz OIEKSGWDUJBXJV-VKJFTORMSA-N 1 3 272.436 3.241 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@H]1CC1(C)C ZINC000397595860 288024725 /nfs/dbraw/zinc/02/47/25/288024725.db2.gz DJOWIGBMBXCHOV-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1C ZINC000414110469 278254128 /nfs/dbraw/zinc/25/41/28/278254128.db2.gz LUONVIBSNHWWNS-DVOMOZLQSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1C[C@H]1C ZINC000414118009 278254235 /nfs/dbraw/zinc/25/42/35/278254235.db2.gz UDMKJJVSOFOYJH-KEYYUXOJSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000347938377 278256334 /nfs/dbraw/zinc/25/63/34/278256334.db2.gz SGVIZSOGXNJOGT-ZFWWWQNUSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(C)C1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000414841883 278301848 /nfs/dbraw/zinc/30/18/48/278301848.db2.gz ZNEBAEZKFKNMQC-WLYUNCDWSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000042857990 278336903 /nfs/dbraw/zinc/33/69/03/278336903.db2.gz XOAHSQRMMZQHIA-HOTGVXAUSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cccc(CO)c1 ZINC000245637567 278344746 /nfs/dbraw/zinc/34/47/46/278344746.db2.gz WEWXKGWDNIKOLU-JKSUJKDBSA-N 1 3 290.451 3.094 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129711764 288069522 /nfs/dbraw/zinc/06/95/22/288069522.db2.gz GGLIUTLUCSLARH-UNEWFSDZSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129711764 288069525 /nfs/dbraw/zinc/06/95/25/288069525.db2.gz GGLIUTLUCSLARH-UNEWFSDZSA-N 1 3 276.424 3.219 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000422945688 278733894 /nfs/dbraw/zinc/73/38/94/278733894.db2.gz NRKOBJZKCCZXPW-LSDHHAIUSA-N 1 3 254.462 3.425 20 0 CGADHO c1cc(N2CCC([NH2+]CC34CCC(CC3)C4)CC2)ccn1 ZINC000459445592 288093174 /nfs/dbraw/zinc/09/31/74/288093174.db2.gz DNJMBXHHIXVPKH-UHFFFAOYSA-N 1 3 285.435 3.220 20 0 CGADHO CC[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459577969 288098347 /nfs/dbraw/zinc/09/83/47/288098347.db2.gz MSYAPMLYVLQGNU-CVEARBPZSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@H](CCC[NH3+])NCc1c(Cl)cccc1Cl ZINC000415023675 279255886 /nfs/dbraw/zinc/25/58/86/279255886.db2.gz NHZFRHFIHWUTEJ-SECBINFHSA-N 1 3 261.196 3.210 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC(C)(C)Cc2occc21)CN(C)C ZINC000425936141 279351876 /nfs/dbraw/zinc/35/18/76/279351876.db2.gz HFKXFASLDJHBAB-OCCSQVGLSA-N 1 3 264.413 3.080 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1Cc2ccccc2C1 ZINC000235476538 279371926 /nfs/dbraw/zinc/37/19/26/279371926.db2.gz LRIGUANLWDXEJF-RHSMWYFYSA-N 1 3 272.436 3.054 20 0 CGADHO C[C@H](NC1CCC([NH3+])CC1)c1c(F)cccc1Cl ZINC000261592922 279453016 /nfs/dbraw/zinc/45/30/16/279453016.db2.gz YVTIOYDJTQBHJD-WHXUTIOJSA-N 1 3 270.779 3.400 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089148265 279728921 /nfs/dbraw/zinc/72/89/21/279728921.db2.gz ABUIOGBQXFLYJU-LXZKKBNFSA-N 1 3 276.424 3.252 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000290163848 280009672 /nfs/dbraw/zinc/00/96/72/280009672.db2.gz DKKFKXVOSDNKRQ-GUYCJALGSA-N 1 3 256.393 3.086 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537788 288260363 /nfs/dbraw/zinc/26/03/63/288260363.db2.gz VIZWWWARSOCHPS-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537788 288260365 /nfs/dbraw/zinc/26/03/65/288260365.db2.gz VIZWWWARSOCHPS-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537788 288260367 /nfs/dbraw/zinc/26/03/67/288260367.db2.gz VIZWWWARSOCHPS-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@H]21 ZINC000529537788 288260369 /nfs/dbraw/zinc/26/03/69/288260369.db2.gz VIZWWWARSOCHPS-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179288 288296189 /nfs/dbraw/zinc/29/61/89/288296189.db2.gz SIDZVAJVKYNEHF-DLBZAZTESA-N 1 3 272.436 3.272 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422986671 281894205 /nfs/dbraw/zinc/89/42/05/281894205.db2.gz DDUDVISDSPFKEM-CMPLNLGQSA-N 1 3 283.366 3.077 20 0 CGADHO CCc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422740174 288561640 /nfs/dbraw/zinc/56/16/40/288561640.db2.gz AXNWYTGCDRUWDY-JJRVBVJISA-N 1 3 260.425 3.288 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CC[C@H]3C3CC3)C2)cc1 ZINC000554364284 289276001 /nfs/dbraw/zinc/27/60/01/289276001.db2.gz XJZXWZDVURQEFS-YZGWKJHDSA-N 1 3 298.474 3.329 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449168777 289308851 /nfs/dbraw/zinc/30/88/51/289308851.db2.gz FGMDAXPVRARHBV-RRFJBIMHSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000556583735 289398316 /nfs/dbraw/zinc/39/83/16/289398316.db2.gz KWKFBROJHFESPD-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO CCC(C)(C)[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000562564450 289715561 /nfs/dbraw/zinc/71/55/61/289715561.db2.gz IZVHJPAVTFYCAI-OAGGEKHMSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000422806179 289773243 /nfs/dbraw/zinc/77/32/43/289773243.db2.gz MVXIDBMINFDIHM-DCAQKATOSA-N 1 3 274.330 3.482 20 0 CGADHO Cn1cccc1[C@@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000189093600 294388238 /nfs/dbraw/zinc/38/82/38/294388238.db2.gz ZLCAGNHLTSQGKV-KRWDZBQOSA-N 1 3 275.440 3.038 20 0 CGADHO Cn1cccc1[C@@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000189093600 294388241 /nfs/dbraw/zinc/38/82/41/294388241.db2.gz ZLCAGNHLTSQGKV-KRWDZBQOSA-N 1 3 275.440 3.038 20 0 CGADHO COc1ccc([C@H](N[C@H]2CCC[NH2+]CC2)C(C)C)cc1 ZINC000422781795 295246086 /nfs/dbraw/zinc/24/60/86/295246086.db2.gz JHQNULITECFALF-DOTOQJQBSA-N 1 3 276.424 3.124 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089143490 295267474 /nfs/dbraw/zinc/26/74/74/295267474.db2.gz RJMWSFFGOSIMAT-XVSSEFHLSA-N 1 3 278.362 3.215 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CCO)C1CCCCC1 ZINC000423001955 298893185 /nfs/dbraw/zinc/89/31/85/298893185.db2.gz FKLBGWFWODUSTO-NXHRZFHOSA-N 1 3 296.499 3.218 20 0 CGADHO NC1(C[NH2+][C@H]2CCC[C@H]2CCF)C2CC3CC(C2)CC1C3 ZINC000423517293 303360183 /nfs/dbraw/zinc/36/01/83/303360183.db2.gz BMGLWWCIZBMUIB-ZSAKZZKXSA-N 1 3 294.458 3.258 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000582861623 329278015 /nfs/dbraw/zinc/27/80/15/329278015.db2.gz PFQQFDUQKZRKNV-JYJNAYRXSA-N 1 3 252.446 3.131 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000563951253 322016291 /nfs/dbraw/zinc/01/62/91/322016291.db2.gz UAAOTBFFXCLYOT-RDJZCZTQSA-N 1 3 258.409 3.186 20 0 CGADHO Cc1cccc([C@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000564989414 322052769 /nfs/dbraw/zinc/05/27/69/322052769.db2.gz YWRATDIDWKWFIU-AWEZNQCLSA-N 1 3 254.377 3.305 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000565783521 322091213 /nfs/dbraw/zinc/09/12/13/322091213.db2.gz BFKCTGRDVLKRLX-DLBZAZTESA-N 1 3 290.451 3.268 20 0 CGADHO CCCCOc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000565783521 322091216 /nfs/dbraw/zinc/09/12/16/322091216.db2.gz BFKCTGRDVLKRLX-DLBZAZTESA-N 1 3 290.451 3.268 20 0 CGADHO CC(C)Oc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000565951456 322098041 /nfs/dbraw/zinc/09/80/41/322098041.db2.gz QQIHAKUKYJWVFZ-UHFFFAOYSA-N 1 3 284.403 3.222 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000566483993 322126231 /nfs/dbraw/zinc/12/62/31/322126231.db2.gz ZBUPMDBOJAMMPY-HZPDHXFCSA-N 1 3 285.435 3.453 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)C1 ZINC000567429731 322163012 /nfs/dbraw/zinc/16/30/12/322163012.db2.gz ZTNCJDWPIZPTRQ-NEPJUHHUSA-N 1 3 266.351 3.037 20 0 CGADHO CCCC[C@@H](CC)C[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000568659553 322217724 /nfs/dbraw/zinc/21/77/24/322217724.db2.gz CXBAKBIFPUVYKH-MRXNPFEDSA-N 1 3 284.488 3.028 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000570972512 322286659 /nfs/dbraw/zinc/28/66/59/322286659.db2.gz FLJWOOMMLLYFSW-QGZVFWFLSA-N 1 3 290.451 3.166 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000571431564 322298745 /nfs/dbraw/zinc/29/87/45/322298745.db2.gz SNECFJHXDVCMQT-MOPGFXCFSA-N 1 3 295.430 3.356 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000572272380 322328732 /nfs/dbraw/zinc/32/87/32/322328732.db2.gz LKEYNNZJCBKTRG-ROUUACIJSA-N 1 3 274.452 3.475 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000572272380 322328734 /nfs/dbraw/zinc/32/87/34/322328734.db2.gz LKEYNNZJCBKTRG-ROUUACIJSA-N 1 3 274.452 3.475 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1C ZINC000573385824 322385387 /nfs/dbraw/zinc/38/53/87/322385387.db2.gz KEERVZXBOQSLEJ-BZUAXINKSA-N 1 3 276.424 3.012 20 0 CGADHO Cc1nc2c(s1)[C@H](NCc1ccc(C[NH3+])cc1)CCC2 ZINC000574040203 322420960 /nfs/dbraw/zinc/42/09/60/322420960.db2.gz AYKCMCPGOMWEBD-CQSZACIVSA-N 1 3 287.432 3.077 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3c(F)cccc32)C1 ZINC000574290111 322433134 /nfs/dbraw/zinc/43/31/34/322433134.db2.gz GSYOVVGUTJODIR-XHBSWPGZSA-N 1 3 262.372 3.063 20 0 CGADHO CC[NH2+]CCCN[C@@H](c1ccc(C)cc1)C1CCC1 ZINC000575172853 322476948 /nfs/dbraw/zinc/47/69/48/322476948.db2.gz MJDCCOORAISGCK-QGZVFWFLSA-N 1 3 260.425 3.425 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCC[C@H]1C)[C@H]1CCCNC1 ZINC000584166830 327054364 /nfs/dbraw/zinc/05/43/64/327054364.db2.gz GEYHWWFRUFFPMX-FPCVCCKLSA-N 1 3 252.446 3.181 20 0 CGADHO CCN1CC[C@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395167382 329277992 /nfs/dbraw/zinc/27/79/92/329277992.db2.gz XLBBZVSTFILALN-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccoc1 ZINC000178106437 335415734 /nfs/dbraw/zinc/41/57/34/335415734.db2.gz QEKXKGPRHCTJTH-HNNXBMFYSA-N 1 3 264.413 3.442 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)C2CC2)C1 ZINC000579613496 335822805 /nfs/dbraw/zinc/82/28/05/335822805.db2.gz RNJXMJYLUTVFGL-BRWVUGGUSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H]1CC2CCC1CC2 ZINC000382159858 336083187 /nfs/dbraw/zinc/08/31/87/336083187.db2.gz PAQXTXJYWGYGSN-MRCRIXNTSA-N 1 3 250.430 3.061 20 0 CGADHO CCC[NH2+]CCN[C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423312378 500667132 /nfs/dbraw/zinc/66/71/32/500667132.db2.gz RROZCRHSBZACJQ-PNESKVBLSA-N 1 3 280.378 3.333 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000037643755 521717402 /nfs/dbraw/zinc/71/74/02/521717402.db2.gz VLNJRQTTZKWMPL-GFCCVEGCSA-N 1 3 286.341 3.137 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000423463303 533885189 /nfs/dbraw/zinc/88/51/89/533885189.db2.gz FLXZEXQNSMAXOV-TUAOUCFPSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310705 533898069 /nfs/dbraw/zinc/89/80/69/533898069.db2.gz AUXASQXUJSQIMD-LRDDRELGSA-N 1 3 260.425 3.372 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423370307 533982629 /nfs/dbraw/zinc/98/26/29/533982629.db2.gz PKJQJZGFQYPTLY-BYCMXARLSA-N 1 3 282.378 3.145 20 0 CGADHO CS[C@@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000425359754 533983140 /nfs/dbraw/zinc/98/31/40/533983140.db2.gz SGDAQDXKRWVLAN-JKSUJKDBSA-N 1 3 282.497 3.125 20 0 CGADHO CS[C@@H]1CC[C@@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000425359754 533983143 /nfs/dbraw/zinc/98/31/43/533983143.db2.gz SGDAQDXKRWVLAN-JKSUJKDBSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc2c(s1)CCCC2 ZINC000423399065 534007363 /nfs/dbraw/zinc/00/73/63/534007363.db2.gz PIMUVBUGNGUZRE-DYEKYZERSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1F)CN(C)C ZINC000425929814 534077550 /nfs/dbraw/zinc/07/75/50/534077550.db2.gz GWVQWGLYGFJTST-STQMWFEESA-N 1 3 284.394 3.073 20 0 CGADHO CCCCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746667251 572888997 /nfs/dbraw/zinc/88/89/97/572888997.db2.gz FMEUZLKXBLVWIE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000746667251 572889003 /nfs/dbraw/zinc/88/90/03/572889003.db2.gz FMEUZLKXBLVWIE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCCCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000746667251 572889011 /nfs/dbraw/zinc/88/90/11/572889011.db2.gz FMEUZLKXBLVWIE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCCCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000746667251 572889014 /nfs/dbraw/zinc/88/90/14/572889014.db2.gz FMEUZLKXBLVWIE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO Cc1ccncc1[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292456 534429801 /nfs/dbraw/zinc/42/98/01/534429801.db2.gz NCQDRLIWPLXYRQ-KGLIPLIRSA-N 1 3 269.392 3.261 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000151132461 519862342 /nfs/dbraw/zinc/86/23/42/519862342.db2.gz JYYPVGHCVZSCFT-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000151132461 519862343 /nfs/dbraw/zinc/86/23/43/519862343.db2.gz JYYPVGHCVZSCFT-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000151132461 519862344 /nfs/dbraw/zinc/86/23/44/519862344.db2.gz JYYPVGHCVZSCFT-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(C)cc(Cl)c1 ZINC000339293624 520503338 /nfs/dbraw/zinc/50/33/38/520503338.db2.gz JFIQQSPEOYNIKR-MRXNPFEDSA-N 1 3 298.858 3.095 20 0 CGADHO Fc1ccc2c(c1)[C@H](N1CCC([C@@H]3CCC[NH2+]3)CC1)CC2 ZINC000420331193 534503462 /nfs/dbraw/zinc/50/34/62/534503462.db2.gz DAPLWGUWHGEWPD-ZWKOTPCHSA-N 1 3 288.410 3.277 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215198 521820631 /nfs/dbraw/zinc/82/06/31/521820631.db2.gz LUYBSVOYKYWJAU-LSDHHAIUSA-N 1 3 275.440 3.322 20 0 CGADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000049553320 522933628 /nfs/dbraw/zinc/93/36/28/522933628.db2.gz UVSURQGWMNOLKM-CZUORRHYSA-N 1 3 264.413 3.076 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccccc2Cl)C1 ZINC000459721817 536384174 /nfs/dbraw/zinc/38/41/74/536384174.db2.gz AZBMXZBXIPNOMM-CYBMUJFWSA-N 1 3 266.816 3.162 20 0 CGADHO C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)NC1CCCCCC1 ZINC000423275579 527484374 /nfs/dbraw/zinc/48/43/74/527484374.db2.gz LUNRVIUECZPQRH-HZPDHXFCSA-N 1 3 250.430 3.077 20 0 CGADHO CCC1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)COC1 ZINC000449599722 527746463 /nfs/dbraw/zinc/74/64/63/527746463.db2.gz LMBZPZCVIZXJCM-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO CCC1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)COC1 ZINC000449599722 527746471 /nfs/dbraw/zinc/74/64/71/527746471.db2.gz LMBZPZCVIZXJCM-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449374782 528151403 /nfs/dbraw/zinc/15/14/03/528151403.db2.gz GGVSQIUBWDPUBF-BPQIPLTHSA-N 1 3 296.499 3.434 20 0 CGADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC[C@@H]1CC[NH2+]C1 ZINC000423254489 528473806 /nfs/dbraw/zinc/47/38/06/528473806.db2.gz YENQJEWLXFRPFT-OLZOCXBDSA-N 1 3 296.842 3.389 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H](N)C1CC1)c1cc2ccccc2o1 ZINC000423338444 528588229 /nfs/dbraw/zinc/58/82/29/528588229.db2.gz ZEVSGOUJQSOARM-WMLDXEAASA-N 1 3 272.392 3.457 20 0 CGADHO CC(C)[C@@H](NC[C@H](C)C[NH3+])c1cc2ccccc2o1 ZINC000423301352 528589474 /nfs/dbraw/zinc/58/94/74/528589474.db2.gz FSOSOFYPUGIICR-MLGOLLRUSA-N 1 3 260.381 3.314 20 0 CGADHO CCCc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000420254743 528601311 /nfs/dbraw/zinc/60/13/11/528601311.db2.gz GXJTUFCKQPYMSQ-GJZGRUSLSA-N 1 3 295.430 3.233 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000423382417 528629733 /nfs/dbraw/zinc/62/97/33/528629733.db2.gz OXGMIRXMFWXYJO-KEYYUXOJSA-N 1 3 260.425 3.430 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423373477 528726294 /nfs/dbraw/zinc/72/62/94/528726294.db2.gz HMVOBYXPMVBBTN-CWRNSKLLSA-N 1 3 276.424 3.396 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423278857 529070196 /nfs/dbraw/zinc/07/01/96/529070196.db2.gz REDOMVOLOSBZAB-RAIGVLPGSA-N 1 3 252.427 3.259 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OC(F)F)cc1 ZINC000423317809 529173658 /nfs/dbraw/zinc/17/36/58/529173658.db2.gz KPVIVNOUPCPTBZ-ZIAGYGMSSA-N 1 3 284.350 3.066 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423462689 529337991 /nfs/dbraw/zinc/33/79/91/529337991.db2.gz DTCRXEGRYFZDBD-SIUPPRGNSA-N 1 3 290.426 3.297 20 0 CGADHO CC(C)C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000414936992 535312810 /nfs/dbraw/zinc/31/28/10/535312810.db2.gz HHLKRUUBGWOMBH-CGTJXYLNSA-N 1 3 274.452 3.404 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccccc2Cl)C1 ZINC000459721817 536384172 /nfs/dbraw/zinc/38/41/72/536384172.db2.gz AZBMXZBXIPNOMM-CYBMUJFWSA-N 1 3 266.816 3.162 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000166132130 572459785 /nfs/dbraw/zinc/45/97/85/572459785.db2.gz PVXCCYWYKCCJLP-KXBFYZLASA-N 1 3 284.447 3.446 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132130 572459791 /nfs/dbraw/zinc/45/97/91/572459791.db2.gz PVXCCYWYKCCJLP-KXBFYZLASA-N 1 3 284.447 3.446 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000892668829 618894464 /nfs/dbraw/zinc/89/44/64/618894464.db2.gz REARDEJILLLZMH-DOTOQJQBSA-N 1 3 272.436 3.038 20 0 CGADHO CCSc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000925733441 619208099 /nfs/dbraw/zinc/20/80/99/619208099.db2.gz UOSQHGGEWTXVAG-ZFWWWQNUSA-N 1 3 264.438 3.016 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1C ZINC000925777250 619240367 /nfs/dbraw/zinc/24/03/67/619240367.db2.gz CVCLXYNNOBPSBH-ZFWWWQNUSA-N 1 3 282.378 3.199 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261930339 619484115 /nfs/dbraw/zinc/48/41/15/619484115.db2.gz JMURKNBBXRXSAU-ZBFHGGJFSA-N 1 3 298.430 3.408 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783878 619635555 /nfs/dbraw/zinc/63/55/55/619635555.db2.gz ZJGZIMKBWSCOJY-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783878 619635557 /nfs/dbraw/zinc/63/55/57/619635557.db2.gz ZJGZIMKBWSCOJY-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccccc2C(F)(F)F)C1 ZINC000093215963 619718978 /nfs/dbraw/zinc/71/89/78/619718978.db2.gz XKIPEHQDGBVGBA-RYUDHWBXSA-N 1 3 272.314 3.065 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)N(C)C ZINC000895294478 619797577 /nfs/dbraw/zinc/79/75/77/619797577.db2.gz QEKWMCPYDDPHIK-HYVNUMGLSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@@H](CC[NH2+]Cc1cccc(-c2ccccn2)c1)N(C)C ZINC000895297189 619799529 /nfs/dbraw/zinc/79/95/29/619799529.db2.gz JEPFWYPRHZUCGE-HNNXBMFYSA-N 1 3 283.419 3.178 20 0 CGADHO CCCSC[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000895479548 619836250 /nfs/dbraw/zinc/83/62/50/619836250.db2.gz PXHATTGWKXZHRG-GDBMZVCRSA-N 1 3 284.513 3.230 20 0 CGADHO CC1(C)Cc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])ccc2O1 ZINC000841031474 620408590 /nfs/dbraw/zinc/40/85/90/620408590.db2.gz SJOTXQVLXMAQMK-GDBMZVCRSA-N 1 3 288.435 3.007 20 0 CGADHO C/C=C/CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902398472 621305150 /nfs/dbraw/zinc/30/51/50/621305150.db2.gz PWTZXPCMCCPGCY-XYBNCVKDSA-N 1 3 268.351 3.301 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452571 621330944 /nfs/dbraw/zinc/33/09/44/621330944.db2.gz LGZDDZLQHOVKKU-LGIULTMTSA-N 1 3 294.389 3.318 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCNC3)CC2)cc1 ZINC000902455764 621334267 /nfs/dbraw/zinc/33/42/67/621334267.db2.gz YYBATSJQGQYMRT-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H](c2ccncc2)C2CC2)C1 ZINC000902515472 621359667 /nfs/dbraw/zinc/35/96/67/621359667.db2.gz VVNVTOWRKSDEBQ-OAGGEKHMSA-N 1 3 273.424 3.028 20 0 CGADHO CC(C)C[C@H]([NH2+]CCCN(C)C(C)C)C1CCOCC1 ZINC000902735313 621418156 /nfs/dbraw/zinc/41/81/56/621418156.db2.gz BYOJKKSUARKLDX-KRWDZBQOSA-N 1 3 284.488 3.148 20 0 CGADHO CC(C)CSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903127818 621590206 /nfs/dbraw/zinc/59/02/06/621590206.db2.gz LWMNLXHGWSWAGA-VHRNVKJDSA-N 1 3 282.497 3.123 20 0 CGADHO CC(C)CSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903127818 621590212 /nfs/dbraw/zinc/59/02/12/621590212.db2.gz LWMNLXHGWSWAGA-VHRNVKJDSA-N 1 3 282.497 3.123 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@H]1C[C@H]1C ZINC000903377294 621721299 /nfs/dbraw/zinc/72/12/99/621721299.db2.gz KEPRBDGUTMYWCR-BSWAZPDLSA-N 1 3 275.440 3.099 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379981 621722808 /nfs/dbraw/zinc/72/28/08/621722808.db2.gz JKRCUAZOYJODJJ-HYVNUMGLSA-N 1 3 289.467 3.489 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000903383972 621724614 /nfs/dbraw/zinc/72/46/14/621724614.db2.gz OYWDPGXXOPQFJD-JKSUJKDBSA-N 1 3 263.429 3.099 20 0 CGADHO CC[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)C(C)C ZINC000903383968 621724899 /nfs/dbraw/zinc/72/48/99/621724899.db2.gz OYWDPGXXOPQFJD-HZPDHXFCSA-N 1 3 263.429 3.099 20 0 CGADHO C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CCCC1 ZINC000903383549 621725330 /nfs/dbraw/zinc/72/53/30/621725330.db2.gz NLASTNOFNZJNAB-PBHICJAKSA-N 1 3 275.440 3.243 20 0 CGADHO CC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1[NH3+] ZINC000903450301 621760328 /nfs/dbraw/zinc/76/03/28/621760328.db2.gz SWJQYMLEMXUXHQ-LCGIIJARSA-N 1 3 294.389 3.095 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCCC(C)(F)F)C1 ZINC000903476099 621763569 /nfs/dbraw/zinc/76/35/69/621763569.db2.gz NMAYAVDGNQQWDU-CQSZACIVSA-N 1 3 262.388 3.119 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCCC(C)(F)F)C1 ZINC000903476099 621763576 /nfs/dbraw/zinc/76/35/76/621763576.db2.gz NMAYAVDGNQQWDU-CQSZACIVSA-N 1 3 262.388 3.119 20 0 CGADHO Cc1cc(C)cc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000903874557 621824715 /nfs/dbraw/zinc/82/47/15/621824715.db2.gz DBVXQJUXRWQVCS-MRXNPFEDSA-N 1 3 272.436 3.092 20 0 CGADHO COc1ccc([C@@H]2CCCN2C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904301243 621901724 /nfs/dbraw/zinc/90/17/24/621901724.db2.gz JFFNYWOSEATOJW-ROUUACIJSA-N 1 3 288.435 3.222 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904315471 621904094 /nfs/dbraw/zinc/90/40/94/621904094.db2.gz AZSVBWUUIHOPDA-FUHWJXTLSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904315471 621904097 /nfs/dbraw/zinc/90/40/97/621904097.db2.gz AZSVBWUUIHOPDA-FUHWJXTLSA-N 1 3 272.436 3.174 20 0 CGADHO C[C@H]1CN(Cc2cnc(C3CCCC3)s2)CC[C@@H]1C[NH3+] ZINC000904410482 621919525 /nfs/dbraw/zinc/91/95/25/621919525.db2.gz FXXOVPYCMUMYLO-GXTWGEPZSA-N 1 3 293.480 3.217 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)CN1CCCC1 ZINC000062077917 623198427 /nfs/dbraw/zinc/19/84/27/623198427.db2.gz JWTLLPGHYWNTJJ-IRXDYDNUSA-N 1 3 274.452 3.329 20 0 CGADHO C[NH+](C)CC[C@H](NC[C@H]1CC=CCC1)c1cccnc1 ZINC000922629071 626022303 /nfs/dbraw/zinc/02/23/03/626022303.db2.gz HSBASWYPWWPDBR-RDJZCZTQSA-N 1 3 273.424 3.020 20 0 CGADHO c1ccc([C@H](NCCC[NH2+]C2CC2)C2CCC2)cc1 ZINC000923318194 626144638 /nfs/dbraw/zinc/14/46/38/626144638.db2.gz JPBUEIGUFYCOQB-KRWDZBQOSA-N 1 3 258.409 3.260 20 0 CGADHO Fc1cccc([C@@H]2CCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923316005 626144761 /nfs/dbraw/zinc/14/47/61/626144761.db2.gz CBKKAKRUPKITEP-ZKVVCRCRSA-N 1 3 288.410 3.493 20 0 CGADHO CC[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@H]1N ZINC000923344978 626148801 /nfs/dbraw/zinc/14/88/01/626148801.db2.gz LPPPYUJKNNQLNJ-LSDHHAIUSA-N 1 3 250.430 3.016 20 0 CGADHO CC[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@H]1N ZINC000923344978 626148805 /nfs/dbraw/zinc/14/88/05/626148805.db2.gz LPPPYUJKNNQLNJ-LSDHHAIUSA-N 1 3 250.430 3.016 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(CCc2cccc(F)c2)C1 ZINC000923414317 626151555 /nfs/dbraw/zinc/15/15/55/626151555.db2.gz LGMKBHCQZWMJNJ-KRWDZBQOSA-N 1 3 278.415 3.065 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cccnc2Cl)CC1 ZINC000765766971 627269261 /nfs/dbraw/zinc/26/92/61/627269261.db2.gz CXXRUZGCAFPPQC-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO c1ccc(-c2ccccc2CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770393144 627617025 /nfs/dbraw/zinc/61/70/25/627617025.db2.gz AVJMXUUQMWWQIY-ROUUACIJSA-N 1 3 278.399 3.005 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630314 628115751 /nfs/dbraw/zinc/11/57/51/628115751.db2.gz YPMNYCUHTPBMAI-ZIAGYGMSSA-N 1 3 271.408 3.160 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2[nH]1 ZINC000775630314 628115753 /nfs/dbraw/zinc/11/57/53/628115753.db2.gz YPMNYCUHTPBMAI-ZIAGYGMSSA-N 1 3 271.408 3.160 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1CCCCC1)c1ccccn1 ZINC000781902679 628604263 /nfs/dbraw/zinc/60/42/63/628604263.db2.gz IIXSRQDJKSWWBF-KRWDZBQOSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)CN(C)C ZINC000813877508 631476370 /nfs/dbraw/zinc/47/63/70/631476370.db2.gz YAIOMBWGPZPKCV-PVAVHDDUSA-N 1 3 274.452 3.356 20 0 CGADHO C[C@]1(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1(Cl)Cl ZINC000817935749 632237403 /nfs/dbraw/zinc/23/74/03/632237403.db2.gz DEKPIJWVCTUWBL-SRVKXCTJSA-N 1 3 279.255 3.068 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817977867 632268987 /nfs/dbraw/zinc/26/89/87/632268987.db2.gz QWCRGTBUEJCPGS-BBBLOLIVSA-N 1 3 274.380 3.388 20 0 CGADHO Cc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cnc1Cl ZINC000818431370 632318481 /nfs/dbraw/zinc/31/84/81/632318481.db2.gz JYISLPYKMHRXPQ-CYBMUJFWSA-N 1 3 293.842 3.007 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@]1(C)CC1(Cl)Cl)C2 ZINC000829720148 633769554 /nfs/dbraw/zinc/76/95/54/633769554.db2.gz OXJXVNLHABHBQY-ZGVCCVRISA-N 1 3 291.266 3.127 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@]1(C)CC1(Cl)Cl)C2 ZINC000829720148 633769557 /nfs/dbraw/zinc/76/95/57/633769557.db2.gz OXJXVNLHABHBQY-ZGVCCVRISA-N 1 3 291.266 3.127 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000873243742 634298342 /nfs/dbraw/zinc/29/83/42/634298342.db2.gz CXJBPLOEFZCYAB-XJKSGUPXSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)C(C)(F)F ZINC000873249978 634301453 /nfs/dbraw/zinc/30/14/53/634301453.db2.gz DRYRPFMLYKBEQS-GXTWGEPZSA-N 1 3 284.394 3.216 20 0 CGADHO Cc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1Cl ZINC000841033126 635110121 /nfs/dbraw/zinc/11/01/21/635110121.db2.gz KZUJUHGWWZFMJA-UHFFFAOYSA-N 1 3 288.822 3.439 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C2CC2)cc1 ZINC000843053699 635551192 /nfs/dbraw/zinc/55/11/92/635551192.db2.gz RGLOTHDSEFTMDB-AYHJJNSGSA-N 1 3 270.420 3.408 20 0 CGADHO CC[C@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259393 635959383 /nfs/dbraw/zinc/95/93/83/635959383.db2.gz RSOZHYJAQPYTBS-ZIAGYGMSSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259393 635959385 /nfs/dbraw/zinc/95/93/85/635959385.db2.gz RSOZHYJAQPYTBS-ZIAGYGMSSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259393 635959390 /nfs/dbraw/zinc/95/93/90/635959390.db2.gz RSOZHYJAQPYTBS-ZIAGYGMSSA-N 1 3 297.393 3.274 20 0 CGADHO CC(C)[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000128993133 636106854 /nfs/dbraw/zinc/10/68/54/636106854.db2.gz VEWLVDIBENBIEH-HOTGVXAUSA-N 1 3 264.388 3.255 20 0 CGADHO COC[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000883320793 636672866 /nfs/dbraw/zinc/67/28/66/636672866.db2.gz VUSRCINCEWWNSX-ONIAQPFYSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@](C[NH3+])(NC[C@H]1CCC[C@@H](c2ccccc2)O1)C1CC1 ZINC000883418365 636749505 /nfs/dbraw/zinc/74/95/05/636749505.db2.gz GATHJTVOYGFTTC-FGTMMUONSA-N 1 3 288.435 3.014 20 0 CGADHO N[C@@H]1CCCCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438431 636756256 /nfs/dbraw/zinc/75/62/56/636756256.db2.gz SJRGSZRXUWBAED-SQNIBIBYSA-N 1 3 288.435 3.110 20 0 CGADHO N[C@@H]1CCCCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438431 636756262 /nfs/dbraw/zinc/75/62/62/636756262.db2.gz SJRGSZRXUWBAED-SQNIBIBYSA-N 1 3 288.435 3.110 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853242038 637792236 /nfs/dbraw/zinc/79/22/36/637792236.db2.gz ZNKVUCLDYBBYKP-ULQDDVLXSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000924958748 638430662 /nfs/dbraw/zinc/43/06/62/638430662.db2.gz HHTWKGKQULAEBI-SQNIBIBYSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000857064934 638448525 /nfs/dbraw/zinc/44/85/25/638448525.db2.gz GTUGXFLGGRTMCZ-NSHDSACASA-N 1 3 293.282 3.423 20 0 CGADHO COc1cccc([C@H](C)N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925484822 638510028 /nfs/dbraw/zinc/51/00/28/638510028.db2.gz JPQMWIMWFHSMRV-QEJZJMRPSA-N 1 3 276.424 3.252 20 0 CGADHO CC[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925523857 638519194 /nfs/dbraw/zinc/51/91/94/638519194.db2.gz VOPMVKFIVKAENK-ILXRZTDVSA-N 1 3 261.413 3.028 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2ccc3ccccc3c2)C12CCC2 ZINC000925599456 638541715 /nfs/dbraw/zinc/54/17/15/638541715.db2.gz AUHWRUPBNCXKHJ-ZWKOTPCHSA-N 1 3 280.415 3.242 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccccc3)C1)[NH2+]2 ZINC000925605799 638543591 /nfs/dbraw/zinc/54/35/91/638543591.db2.gz STSPOKBNTAZCNF-KFROQNRCSA-N 1 3 270.420 3.051 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H](c2cccnc2)C2CC2)C1 ZINC000925632089 638550151 /nfs/dbraw/zinc/55/01/51/638550151.db2.gz ZTZOVXWFPNQDHZ-OAGGEKHMSA-N 1 3 273.424 3.028 20 0 CGADHO CCSc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000925733075 638588756 /nfs/dbraw/zinc/58/87/56/638588756.db2.gz SAJFMMAOSHJHBF-KBPBESRZSA-N 1 3 264.438 3.158 20 0 CGADHO CCC1(CC)[C@H](N2CCC([NH3+])(CC)CC2)[C@@H](C)[C@@H]1OC ZINC000925755572 638597784 /nfs/dbraw/zinc/59/77/84/638597784.db2.gz GINPBPMAHWPJGL-KFWWJZLASA-N 1 3 282.472 3.029 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CSCCc3ccccc32)CC1 ZINC000925755357 638598691 /nfs/dbraw/zinc/59/86/91/638598691.db2.gz DWVRXQJCEIXKFH-INIZCTEOSA-N 1 3 290.476 3.220 20 0 CGADHO CCC1(N)CC[NH+]([C@@H](C2CC2)C2CCCC2)CC1 ZINC000925761762 638600777 /nfs/dbraw/zinc/60/07/77/638600777.db2.gz YUMQOPNYWHWILJ-OAHLLOKOSA-N 1 3 250.430 3.159 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000926124238 638714312 /nfs/dbraw/zinc/71/43/12/638714312.db2.gz ZVRPDKRSJKUXSQ-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000926130986 638716645 /nfs/dbraw/zinc/71/66/45/638716645.db2.gz TUFVCGKPBUSSOQ-MRXNPFEDSA-N 1 3 284.513 3.372 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000926571957 638786818 /nfs/dbraw/zinc/78/68/18/638786818.db2.gz APVJCHQRPYSCHO-SWLSCSKDSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2nccc3Cl)C1 ZINC000926571957 638786821 /nfs/dbraw/zinc/78/68/21/638786821.db2.gz APVJCHQRPYSCHO-SWLSCSKDSA-N 1 3 293.842 3.044 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H](C)c2ccccn2)CC1 ZINC000926678187 638797789 /nfs/dbraw/zinc/79/77/89/638797789.db2.gz SRVIPAVYJGXPJB-MRXNPFEDSA-N 1 3 289.467 3.285 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H](C)c2ccccn2)CC1 ZINC000926678187 638797791 /nfs/dbraw/zinc/79/77/91/638797791.db2.gz SRVIPAVYJGXPJB-MRXNPFEDSA-N 1 3 289.467 3.285 20 0 CGADHO C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000926736860 638805371 /nfs/dbraw/zinc/80/53/71/638805371.db2.gz BPPQPGBHXRYLJN-OWLYRPNTSA-N 1 3 274.452 3.053 20 0 CGADHO CCC[C@H](CNC1CC[NH+](CCC(C)C)CC1)OCC ZINC000926741342 638805625 /nfs/dbraw/zinc/80/56/25/638805625.db2.gz DUYIKKOYLVFVFY-QGZVFWFLSA-N 1 3 284.488 3.292 20 0 CGADHO Cc1nc2c(o1)CCC[C@@H]2NC1CCC(C)([NH+](C)C)CC1 ZINC000926794994 638812869 /nfs/dbraw/zinc/81/28/69/638812869.db2.gz CVYXMVINTAKNJQ-UUCFBXCCSA-N 1 3 291.439 3.213 20 0 CGADHO Cc1cnccc1Nc1cnccc1[C@@H]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001159383520 806094083 /nfs/dbraw/zinc/09/40/83/806094083.db2.gz JDBKCLHGMFELDM-CFVMTHIKSA-N 1 3 296.418 3.181 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC001253095762 806166865 /nfs/dbraw/zinc/16/68/65/806166865.db2.gz MGPZTBYRYBFVCW-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC001253095762 806166870 /nfs/dbraw/zinc/16/68/70/806166870.db2.gz MGPZTBYRYBFVCW-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+](C)C[C@@H](C)CN ZINC001254491282 806416400 /nfs/dbraw/zinc/41/64/00/806416400.db2.gz SVTSZTGCYQKHAX-RDJZCZTQSA-N 1 3 262.441 3.315 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+](C)C[C@@H](C)CN ZINC001254491282 806416402 /nfs/dbraw/zinc/41/64/02/806416402.db2.gz SVTSZTGCYQKHAX-RDJZCZTQSA-N 1 3 262.441 3.315 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C3CCC(C)(C)CC3)C[C@H]2C1 ZINC001255307789 806603092 /nfs/dbraw/zinc/60/30/92/806603092.db2.gz GQPTULDNCFQXLV-HUUCEWRRSA-N 1 3 264.457 3.229 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC001255532788 806666237 /nfs/dbraw/zinc/66/62/37/806666237.db2.gz JCWSRSOIROXCAT-HNNXBMFYSA-N 1 3 282.472 3.187 20 0 CGADHO Cc1cnccc1[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001255671874 806701709 /nfs/dbraw/zinc/70/17/09/806701709.db2.gz WQCUXQSEZAGAGE-PHSGOXPASA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cnccc1[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001255671874 806701713 /nfs/dbraw/zinc/70/17/13/806701713.db2.gz WQCUXQSEZAGAGE-PHSGOXPASA-N 1 3 299.462 3.446 20 0 CGADHO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN)c2ccccc12 ZINC000094692733 798970412 /nfs/dbraw/zinc/97/04/12/798970412.db2.gz SNYJUDYVNZBABS-OAHLLOKOSA-N 1 3 284.403 3.162 20 0 CGADHO COc1ccc(C[N@H+]2CCCC[C@@H]2CN)c2ccccc12 ZINC000094692733 798970415 /nfs/dbraw/zinc/97/04/15/798970415.db2.gz SNYJUDYVNZBABS-OAHLLOKOSA-N 1 3 284.403 3.162 20 0 CGADHO COc1ccc(CCCN(C)CCC[NH+]2CCCC2)cc1 ZINC000193477710 799128841 /nfs/dbraw/zinc/12/88/41/799128841.db2.gz BPXUUJCVMUIAGC-UHFFFAOYSA-N 1 3 290.451 3.046 20 0 CGADHO CCCOc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC000312945854 799229903 /nfs/dbraw/zinc/22/99/03/799229903.db2.gz QPVHIARZCDWDMH-MRXNPFEDSA-N 1 3 276.424 3.036 20 0 CGADHO Cc1ccc(SC[C@@H](C)NCCC[NH+](C)C)cc1 ZINC001255750998 806735004 /nfs/dbraw/zinc/73/50/04/806735004.db2.gz LHKBIQHSEHAMNC-CQSZACIVSA-N 1 3 266.454 3.017 20 0 CGADHO COC1CCC(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000358777762 799337127 /nfs/dbraw/zinc/33/71/27/799337127.db2.gz RXDYNEVTRBHXPE-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H](CN)C2)c(C)c1 ZINC000389184929 799461018 /nfs/dbraw/zinc/46/10/18/799461018.db2.gz ZHFDFFHEIFMJMH-INIZCTEOSA-N 1 3 260.425 3.173 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CCCC[C@@H](CN)C2)c(C)c1 ZINC000389184929 799461019 /nfs/dbraw/zinc/46/10/19/799461019.db2.gz ZHFDFFHEIFMJMH-INIZCTEOSA-N 1 3 260.425 3.173 20 0 CGADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)CN1CCCCC1 ZINC000403665975 799569905 /nfs/dbraw/zinc/56/99/05/799569905.db2.gz MVKWWPIYQQFMNF-HNSVSWJLSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC000404451772 799577283 /nfs/dbraw/zinc/57/72/83/799577283.db2.gz ZDHJZUBYNKOJOM-UTUOFQBUSA-N 1 3 279.255 3.020 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1(Cl)CC1 ZINC000695634704 799829645 /nfs/dbraw/zinc/82/96/45/799829645.db2.gz BGIRCOHNGVIJAR-CHWSQXEVSA-N 1 3 258.837 3.000 20 0 CGADHO c1c(C[N@@H+]2CCCC3(CC3)CC2)sc2c1CNCC2 ZINC000702564387 799910678 /nfs/dbraw/zinc/91/06/78/799910678.db2.gz GUPDCCVBVZYEBW-UHFFFAOYSA-N 1 3 276.449 3.160 20 0 CGADHO c1c(C[N@H+]2CCCC3(CC3)CC2)sc2c1CNCC2 ZINC000702564387 799910684 /nfs/dbraw/zinc/91/06/84/799910684.db2.gz GUPDCCVBVZYEBW-UHFFFAOYSA-N 1 3 276.449 3.160 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NC1(Cc2ccccc2)CC1 ZINC001255943554 806790910 /nfs/dbraw/zinc/79/09/10/806790910.db2.gz NZCUIUQKEJTWFM-INIZCTEOSA-N 1 3 274.452 3.472 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC001255943554 806790915 /nfs/dbraw/zinc/79/09/15/806790915.db2.gz NZCUIUQKEJTWFM-INIZCTEOSA-N 1 3 274.452 3.472 20 0 CGADHO CCOc1cccc(CC[NH2+][C@@H](C)CCN(CC)CC)c1 ZINC001255944396 806791873 /nfs/dbraw/zinc/79/18/73/806791873.db2.gz VVIPHHGSDYWLDB-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@@H]1c1ccccc1 ZINC001255946184 806793094 /nfs/dbraw/zinc/79/30/94/806793094.db2.gz RUQBSFRTRLQFEX-UAGQMJEPSA-N 1 3 260.425 3.253 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(Cc2cccnc2)CC1 ZINC001255950833 806795804 /nfs/dbraw/zinc/79/58/04/806795804.db2.gz CQYZHDOGNIQQGR-MRXNPFEDSA-N 1 3 289.467 3.114 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)[C@@H]1CCN ZINC000709756510 800016562 /nfs/dbraw/zinc/01/65/62/800016562.db2.gz UZIHMCIWONSPBU-RBSFLKMASA-N 1 3 282.472 3.029 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)[C@@H]1CCN ZINC000709756510 800016565 /nfs/dbraw/zinc/01/65/65/800016565.db2.gz UZIHMCIWONSPBU-RBSFLKMASA-N 1 3 282.472 3.029 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1ccc(F)cc1F ZINC001255952633 806796905 /nfs/dbraw/zinc/79/69/05/806796905.db2.gz VQEOTAJTQQIGKJ-ZDUSSCGKSA-N 1 3 284.394 3.217 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)c1cc(C)ccn1 ZINC001255952591 806796951 /nfs/dbraw/zinc/79/69/51/806796951.db2.gz FSZQDUDHQBQUOJ-INIZCTEOSA-N 1 3 291.483 3.378 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCCC12CCC2 ZINC001255955969 806798060 /nfs/dbraw/zinc/79/80/60/806798060.db2.gz YGHTUUXTDFLCBZ-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001255963330 806799379 /nfs/dbraw/zinc/79/93/79/806799379.db2.gz FRTAOOWGMKCVMO-AEFFLSMTSA-N 1 3 289.467 3.209 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001255963330 806799383 /nfs/dbraw/zinc/79/93/83/806799383.db2.gz FRTAOOWGMKCVMO-AEFFLSMTSA-N 1 3 289.467 3.209 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000715255013 800132049 /nfs/dbraw/zinc/13/20/49/800132049.db2.gz JDGKTFJFZXBWJO-BYNSBNAKSA-N 1 3 270.486 3.123 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715582072 800140213 /nfs/dbraw/zinc/14/02/13/800140213.db2.gz WSXRBPWOULMDLX-XOKHGSTOSA-N 1 3 278.415 3.219 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000926559804 800640450 /nfs/dbraw/zinc/64/04/50/800640450.db2.gz XCMBOUPYVRNASY-INIZCTEOSA-N 1 3 296.499 3.292 20 0 CGADHO C1=C(CC[NH2+]C2CCC(N3CCOCC3)CC2)CCCC1 ZINC001256681939 806947204 /nfs/dbraw/zinc/94/72/04/806947204.db2.gz FBTCUFWPVVDSSD-UHFFFAOYSA-N 1 3 292.467 3.110 20 0 CGADHO CC(C)OC(=O)CC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001172755517 808431395 /nfs/dbraw/zinc/43/13/95/808431395.db2.gz IGXPYAITWXODQK-HNNXBMFYSA-N 1 3 298.471 3.090 20 0 CGADHO CC(C)OC(=O)CC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001172755517 808431400 /nfs/dbraw/zinc/43/14/00/808431400.db2.gz IGXPYAITWXODQK-HNNXBMFYSA-N 1 3 298.471 3.090 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991888 802625914 /nfs/dbraw/zinc/62/59/14/802625914.db2.gz ROSMJOVCLRFIKS-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991888 802625918 /nfs/dbraw/zinc/62/59/18/802625918.db2.gz ROSMJOVCLRFIKS-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991888 802625921 /nfs/dbraw/zinc/62/59/21/802625921.db2.gz ROSMJOVCLRFIKS-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CCCCc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205136106 812883005 /nfs/dbraw/zinc/88/30/05/812883005.db2.gz ONGUCODERLSLMQ-QWHCGFSZSA-N 1 3 266.454 3.117 20 0 CGADHO Cc1cccc(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246070730 804108226 /nfs/dbraw/zinc/10/82/26/804108226.db2.gz DYIWMUBJUXLFCF-WOJBJXKFSA-N 1 3 294.442 3.448 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2c(F)cccc2Cl)C[C@H](C)[NH2+]1 ZINC001246075173 804114732 /nfs/dbraw/zinc/11/47/32/804114732.db2.gz HXVZOZCTMWLGLS-ZSBIGDGJSA-N 1 3 284.806 3.140 20 0 CGADHO c1ccc(OC2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246090900 804122174 /nfs/dbraw/zinc/12/21/74/804122174.db2.gz MPONZIDUXFDWHJ-PQUAAJSLSA-N 1 3 288.435 3.108 20 0 CGADHO C[C@@H]1CC[C@@H](CNC2CCC3(CCCC3)CC2)[NH2+]C1 ZINC001246105439 804139215 /nfs/dbraw/zinc/13/92/15/804139215.db2.gz MNLDFCHYLCJKFD-ZBFHGGJFSA-N 1 3 264.457 3.467 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@H]2CNC[C@@H]2C)CC1 ZINC001246110064 804141469 /nfs/dbraw/zinc/14/14/69/804141469.db2.gz QJFFWFUMVUCDGJ-PPWQZUPISA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@H]1C ZINC001246112455 804143641 /nfs/dbraw/zinc/14/36/41/804143641.db2.gz UYDRLYOYTFZQOB-JHJVBQTASA-N 1 3 298.883 3.266 20 0 CGADHO c1ccc2c(c1)CCC21CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246132870 804157484 /nfs/dbraw/zinc/15/74/84/804157484.db2.gz MUNJUJMQNSXTJZ-AVAKVYKDSA-N 1 3 296.458 3.155 20 0 CGADHO Cc1cccc2[nH]cc(CN3CCC4(C[NH+](C)C4)CC3)c21 ZINC001139199933 804159681 /nfs/dbraw/zinc/15/96/81/804159681.db2.gz VIPBYACKOKLXTA-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc3cc(O)ccc3c1)CC2 ZINC001139341583 804177360 /nfs/dbraw/zinc/17/73/60/804177360.db2.gz JEURIWBQKSROFB-UHFFFAOYSA-N 1 3 296.414 3.073 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@]1(C)CC[NH2+]C1 ZINC001246216554 804211716 /nfs/dbraw/zinc/21/17/16/804211716.db2.gz NGJBCYCGABUJEE-IUODEOHRSA-N 1 3 298.883 3.410 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246223641 804217824 /nfs/dbraw/zinc/21/78/24/804217824.db2.gz SKCXMHXTYHIBLB-RBSFLKMASA-N 1 3 258.425 3.129 20 0 CGADHO CC[C@@H]1C[C@H](N[C@H](CO)CC2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246229504 804221976 /nfs/dbraw/zinc/22/19/76/804221976.db2.gz JUPGOJQTSNMHBI-MLHJIOFPSA-N 1 3 296.499 3.217 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232416 804224891 /nfs/dbraw/zinc/22/48/91/804224891.db2.gz WZNAPUPEFMCTOB-WOYTXXSLSA-N 1 3 264.457 3.466 20 0 CGADHO CC[C@@H]1C[C@H](NCCCOc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246239494 804231970 /nfs/dbraw/zinc/23/19/70/804231970.db2.gz RROSRAUEULDBSC-FVQHAEBGSA-N 1 3 290.451 3.354 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H](C)C2CCCC2)CCN1 ZINC001246242417 804233576 /nfs/dbraw/zinc/23/35/76/804233576.db2.gz IDIVIWKFAMDIPA-FVQBIDKESA-N 1 3 252.446 3.466 20 0 CGADHO C1C[C@@H]2C[C@H]([NH2+]C3CCCCCCC3)C[C@H](C1)N2 ZINC001246247105 804236218 /nfs/dbraw/zinc/23/62/18/804236218.db2.gz WKYSGZKOIRLWGS-ZSHCYNCHSA-N 1 3 250.430 3.362 20 0 CGADHO C[C@H]1C[C@H](NCCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246262286 804244206 /nfs/dbraw/zinc/24/42/06/804244206.db2.gz BWUCBWIZXRACEC-IINYFYTJSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CCN1 ZINC001246262286 804244213 /nfs/dbraw/zinc/24/42/13/804244213.db2.gz BWUCBWIZXRACEC-IINYFYTJSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246266871 804246209 /nfs/dbraw/zinc/24/62/09/804246209.db2.gz SWXOOJLKZHZMJM-TUVASFSCSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H](C)CCN ZINC001246301385 804268061 /nfs/dbraw/zinc/26/80/61/804268061.db2.gz SMRVBTLUVDPKMF-ZJUUUORDSA-N 1 3 290.785 3.266 20 0 CGADHO CC[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246304552 804269345 /nfs/dbraw/zinc/26/93/45/804269345.db2.gz DXZDBUIZFQNJJV-GWCFXTLKSA-N 1 3 272.795 3.127 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246307021 804269845 /nfs/dbraw/zinc/26/98/45/804269845.db2.gz CMNUBCMZMXLWIB-FZMZJTMJSA-N 1 3 286.822 3.373 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)C[C@@H](C)N1 ZINC001246307738 804271962 /nfs/dbraw/zinc/27/19/62/804271962.db2.gz FXYFAMGWKOEASI-XHBSWPGZSA-N 1 3 292.854 3.316 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001246316404 804277097 /nfs/dbraw/zinc/27/70/97/804277097.db2.gz ZIOPRQOLPWVCPQ-JQWIXIFHSA-N 1 3 272.845 3.148 20 0 CGADHO CC[C@H]1CC(NCCc2ccc(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246321086 804280531 /nfs/dbraw/zinc/28/05/31/804280531.db2.gz BQRJUXOIRSGKFU-GJZGRUSLSA-N 1 3 296.405 3.406 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246329309 804283811 /nfs/dbraw/zinc/28/38/11/804283811.db2.gz UYDCZWSITUNRMI-GOEBONIOSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246331540 804286101 /nfs/dbraw/zinc/28/61/01/804286101.db2.gz CLAYCBNHEGIMRI-GVLSGGHMSA-N 1 3 276.468 3.466 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCCCc2ccccc2)CCN1 ZINC001246341449 804293655 /nfs/dbraw/zinc/29/36/55/804293655.db2.gz LHZBIFWAXZFTDK-MRXNPFEDSA-N 1 3 260.425 3.130 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@H]2CC[NH2+][C@@H](C)C2)c1F ZINC001246342285 804294796 /nfs/dbraw/zinc/29/47/96/804294796.db2.gz HBRWPRAKFDYXOZ-RYUDHWBXSA-N 1 3 284.806 3.060 20 0 CGADHO C[C@@H]1CC(NCCc2ccc(F)cc2Cl)C[C@@H](C)[NH2+]1 ZINC001246344626 804295895 /nfs/dbraw/zinc/29/58/95/804295895.db2.gz CAILADSIPRZCIT-GHMZBOCLSA-N 1 3 284.806 3.140 20 0 CGADHO C[C@@H]1CC([NH2+]CCc2ccc(F)cc2Cl)C[C@@H](C)N1 ZINC001246344626 804295900 /nfs/dbraw/zinc/29/59/00/804295900.db2.gz CAILADSIPRZCIT-GHMZBOCLSA-N 1 3 284.806 3.140 20 0 CGADHO CC[C@H]1C[C@@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246346788 804298218 /nfs/dbraw/zinc/29/82/18/804298218.db2.gz JAIBHHDPRJXRHE-KBPBESRZSA-N 1 3 284.806 3.142 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C(C)(C)CCN ZINC001246358687 804303473 /nfs/dbraw/zinc/30/34/73/804303473.db2.gz GIARHAWIYWJGTF-MRXNPFEDSA-N 1 3 262.441 3.361 20 0 CGADHO CCCCC[C@@H](CCC)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246369234 804307541 /nfs/dbraw/zinc/30/75/41/804307541.db2.gz ZAANGEYHZHFHGR-OAHLLOKOSA-N 1 3 298.471 3.010 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC001246375743 804309089 /nfs/dbraw/zinc/30/90/89/804309089.db2.gz KGPMXKVRNHFISN-YOEHRIQHSA-N 1 3 274.452 3.158 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246387458 804317375 /nfs/dbraw/zinc/31/73/75/804317375.db2.gz FHLNNERITGHOAU-CABCVRRESA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1CC[C@@H](NCCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246413230 804326191 /nfs/dbraw/zinc/32/61/91/804326191.db2.gz OOWIZDNBZIVAIY-CZUORRHYSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1CC[C@@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246430778 804329834 /nfs/dbraw/zinc/32/98/34/804329834.db2.gz SGOZVUKQTWZEBU-GOEBONIOSA-N 1 3 258.409 3.044 20 0 CGADHO CC1(C)CC[C@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC001246432841 804331948 /nfs/dbraw/zinc/33/19/48/804331948.db2.gz HYTOKQHADGSHCA-BYNSBNAKSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246447136 804335789 /nfs/dbraw/zinc/33/57/89/804335789.db2.gz OWHOMIOCEMBDSY-CVEARBPZSA-N 1 3 296.499 3.482 20 0 CGADHO CCC[C@@]1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246459872 804339477 /nfs/dbraw/zinc/33/94/77/804339477.db2.gz HQKYWPHCJCJOKT-UPJWGTAASA-N 1 3 278.362 3.229 20 0 CGADHO C[C@@H]1CC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[C@H]1C ZINC001246463438 804343633 /nfs/dbraw/zinc/34/36/33/804343633.db2.gz VOZALEQGSPJSLY-TXCZRRACSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCNCC12CC2 ZINC001246474495 804350049 /nfs/dbraw/zinc/35/00/49/804350049.db2.gz QHDFBEMOIDPMIQ-IAQYHMDHSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[NH2+]CC12CC2 ZINC001246474495 804350058 /nfs/dbraw/zinc/35/00/58/804350058.db2.gz QHDFBEMOIDPMIQ-IAQYHMDHSA-N 1 3 296.817 3.142 20 0 CGADHO c1ccc(C2CCC([NH2+][C@@H]3CCNCC34CC4)CC2)cc1 ZINC001246473594 804351388 /nfs/dbraw/zinc/35/13/88/804351388.db2.gz LWVCLVATIIGQQB-DAWZGUTISA-N 1 3 284.447 3.445 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246515107 804369690 /nfs/dbraw/zinc/36/96/90/804369690.db2.gz JNDQLYWHMUYWMK-MRXNPFEDSA-N 1 3 252.446 3.035 20 0 CGADHO CC[C@@H]([NH2+]C1CCC2(CCc3ccccc32)CC1)C1CNC1 ZINC001246514558 804369873 /nfs/dbraw/zinc/36/98/73/804369873.db2.gz IEMSOKWFKXUQTB-SKINQDTJSA-N 1 3 298.474 3.401 20 0 CGADHO CCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246523147 804378444 /nfs/dbraw/zinc/37/84/44/804378444.db2.gz WUHFZWYQVLKVKU-DLBZAZTESA-N 1 3 260.425 3.285 20 0 CGADHO CCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246523149 804379608 /nfs/dbraw/zinc/37/96/08/804379608.db2.gz WUHFZWYQVLKVKU-IRXDYDNUSA-N 1 3 260.425 3.285 20 0 CGADHO CCCCCC[C@@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557501 804405872 /nfs/dbraw/zinc/40/58/72/804405872.db2.gz LXEDHWJOXLHDAE-CHWSQXEVSA-N 1 3 262.388 3.261 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CCC[C@](C)([NH3+])CC1 ZINC001246548492 804398410 /nfs/dbraw/zinc/39/84/10/804398410.db2.gz GPWYCXMFWOTOFN-BBRMVZONSA-N 1 3 280.843 3.474 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC001246547964 804398580 /nfs/dbraw/zinc/39/85/80/804398580.db2.gz DGYZZMREPWVBSO-XYJFISCASA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC001246547964 804398589 /nfs/dbraw/zinc/39/85/89/804398589.db2.gz DGYZZMREPWVBSO-XYJFISCASA-N 1 3 274.452 3.233 20 0 CGADHO CC[C@@H]1C[C@H](N2CCC(C)(F)CC2)C[C@H](CC)[NH2+]1 ZINC001246553745 804404808 /nfs/dbraw/zinc/40/48/08/804404808.db2.gz UJTLJWSCVPJPLL-WDNDVIMCSA-N 1 3 256.409 3.120 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001246563765 804412246 /nfs/dbraw/zinc/41/22/46/804412246.db2.gz LTECQEWKQGDRFU-MGPQQGTHSA-N 1 3 296.455 3.366 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570680 804417762 /nfs/dbraw/zinc/41/77/62/804417762.db2.gz SGOCRKZYYGFYGJ-SNPRPXQTSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570680 804417768 /nfs/dbraw/zinc/41/77/68/804417768.db2.gz SGOCRKZYYGFYGJ-SNPRPXQTSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1C[C@H](C[NH3+])CC[C@H]1C ZINC001246593890 804434964 /nfs/dbraw/zinc/43/49/64/804434964.db2.gz UEEROQFADGYONO-IPYPFGDCSA-N 1 3 280.843 3.330 20 0 CGADHO CC(C)COCC[C@@H](C)[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246594295 804435718 /nfs/dbraw/zinc/43/57/18/804435718.db2.gz PUUIJEGDYCPDHQ-IAGOWNOFSA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)COCC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246594295 804435721 /nfs/dbraw/zinc/43/57/21/804435721.db2.gz PUUIJEGDYCPDHQ-IAGOWNOFSA-N 1 3 284.488 3.290 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246605403 804441910 /nfs/dbraw/zinc/44/19/10/804441910.db2.gz BRDOFIFLMRJPNO-HXUWFJFHSA-N 1 3 298.474 3.400 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246605403 804441912 /nfs/dbraw/zinc/44/19/12/804441912.db2.gz BRDOFIFLMRJPNO-HXUWFJFHSA-N 1 3 298.474 3.400 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246611533 804444615 /nfs/dbraw/zinc/44/46/15/804444615.db2.gz UHUBIIMOMNDMPC-HLLBOEOZSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246611533 804444617 /nfs/dbraw/zinc/44/46/17/804444617.db2.gz UHUBIIMOMNDMPC-HLLBOEOZSA-N 1 3 264.457 3.419 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246618430 804451835 /nfs/dbraw/zinc/45/18/35/804451835.db2.gz FNBGNILBCIRMAK-ZFWWWQNUSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246618430 804451837 /nfs/dbraw/zinc/45/18/37/804451837.db2.gz FNBGNILBCIRMAK-ZFWWWQNUSA-N 1 3 270.486 3.125 20 0 CGADHO C1C[C@@H]2[C@H](CCN2[C@@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246640912 804467482 /nfs/dbraw/zinc/46/74/82/804467482.db2.gz HPDCCPKOPMDTGP-OWCLPIDISA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@H](CC[N@@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246640912 804467483 /nfs/dbraw/zinc/46/74/83/804467483.db2.gz HPDCCPKOPMDTGP-OWCLPIDISA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCCC3(CCCCC3)C2)N1 ZINC001246640912 804467488 /nfs/dbraw/zinc/46/74/88/804467488.db2.gz HPDCCPKOPMDTGP-OWCLPIDISA-N 1 3 262.441 3.316 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCCC13CCNCC3)C2 ZINC001246648126 804475285 /nfs/dbraw/zinc/47/52/85/804475285.db2.gz OOTIBRYYDHDCEY-GOSISDBHSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+]1CCCCC13CCNCC3)C2 ZINC001246648126 804475287 /nfs/dbraw/zinc/47/52/87/804475287.db2.gz OOTIBRYYDHDCEY-GOSISDBHSA-N 1 3 298.474 3.460 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246651750 804479283 /nfs/dbraw/zinc/47/92/83/804479283.db2.gz ZDAIZRUUDUTFDO-YCPHGPKFSA-N 1 3 250.430 3.029 20 0 CGADHO CCC(CC)[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674638 804490568 /nfs/dbraw/zinc/49/05/68/804490568.db2.gz VIZMXXBMWPCYET-PKOBYXMFSA-N 1 3 286.463 3.428 20 0 CGADHO CCC(CC)[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674638 804490571 /nfs/dbraw/zinc/49/05/71/804490571.db2.gz VIZMXXBMWPCYET-PKOBYXMFSA-N 1 3 286.463 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246685707 804495724 /nfs/dbraw/zinc/49/57/24/804495724.db2.gz AWPVIYJBSCYYHJ-ARFHVFGLSA-N 1 3 268.420 3.145 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246685707 804495730 /nfs/dbraw/zinc/49/57/30/804495730.db2.gz AWPVIYJBSCYYHJ-ARFHVFGLSA-N 1 3 268.420 3.145 20 0 CGADHO Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 ZINC001246747225 804501512 /nfs/dbraw/zinc/50/15/12/804501512.db2.gz KTUVZWMRNDQKLX-AEFFLSMTSA-N 1 3 298.474 3.415 20 0 CGADHO CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246773380 804503883 /nfs/dbraw/zinc/50/38/83/804503883.db2.gz BUQBEVJMTWUQOJ-SCAQPMJSSA-N 1 3 260.425 3.428 20 0 CGADHO CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246773380 804503884 /nfs/dbraw/zinc/50/38/84/804503884.db2.gz BUQBEVJMTWUQOJ-SCAQPMJSSA-N 1 3 260.425 3.428 20 0 CGADHO CCCN(Cc1ccccc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246773380 804503887 /nfs/dbraw/zinc/50/38/87/804503887.db2.gz BUQBEVJMTWUQOJ-SCAQPMJSSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773621 804504583 /nfs/dbraw/zinc/50/45/83/804504583.db2.gz BVVVPSIVUFGVFK-BPQIPLTHSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773621 804504586 /nfs/dbraw/zinc/50/45/86/804504586.db2.gz BVVVPSIVUFGVFK-BPQIPLTHSA-N 1 3 272.436 3.082 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246780254 804507724 /nfs/dbraw/zinc/50/77/24/804507724.db2.gz BJQIQQUZMVKWQH-ROUUACIJSA-N 1 3 286.463 3.254 20 0 CGADHO CCCC[C@H]1C[C@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246781385 804508380 /nfs/dbraw/zinc/50/83/80/804508380.db2.gz FYIPXUDRNAPRIY-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO COc1ccc([C@H]2CCCN2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246779911 804508655 /nfs/dbraw/zinc/50/86/55/804508655.db2.gz JPLOPUYHTKLCNO-CXHZTBPHSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@H]2CCC[N@@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC001246779911 804508658 /nfs/dbraw/zinc/50/86/58/804508658.db2.gz JPLOPUYHTKLCNO-CXHZTBPHSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC001246779911 804508662 /nfs/dbraw/zinc/50/86/62/804508662.db2.gz JPLOPUYHTKLCNO-CXHZTBPHSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@H]2CCCN2[C@@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246783475 804509530 /nfs/dbraw/zinc/50/95/30/804509530.db2.gz ZAEQZBVDQVIOOH-NVXWUHKLSA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCNC(C)(C)C2)cc1 ZINC001246783475 804509533 /nfs/dbraw/zinc/50/95/33/804509533.db2.gz ZAEQZBVDQVIOOH-NVXWUHKLSA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCNC(C)(C)C2)cc1 ZINC001246783475 804509537 /nfs/dbraw/zinc/50/95/37/804509537.db2.gz ZAEQZBVDQVIOOH-NVXWUHKLSA-N 1 3 288.435 3.363 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790810 804513660 /nfs/dbraw/zinc/51/36/60/804513660.db2.gz MZCCSWTXCITKCK-QKPAOTATSA-N 1 3 250.430 3.314 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790810 804513663 /nfs/dbraw/zinc/51/36/63/804513663.db2.gz MZCCSWTXCITKCK-QKPAOTATSA-N 1 3 250.430 3.314 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+](C)C[C@H]2CCCNC2)cc1 ZINC001246841608 804550580 /nfs/dbraw/zinc/55/05/80/804550580.db2.gz NNTOQVILEWNLNE-WMZOPIPTSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+](C)C[C@H]2CCCNC2)cc1 ZINC001246841608 804550584 /nfs/dbraw/zinc/55/05/84/804550584.db2.gz NNTOQVILEWNLNE-WMZOPIPTSA-N 1 3 274.452 3.248 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CC)C2)CCN1 ZINC001246844881 804554899 /nfs/dbraw/zinc/55/48/99/804554899.db2.gz DEENXWXYVVLXQA-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](CC)C2)CCN1 ZINC001246844881 804554903 /nfs/dbraw/zinc/55/49/03/804554903.db2.gz DEENXWXYVVLXQA-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1CN(C2CCC(Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246879496 804576863 /nfs/dbraw/zinc/57/68/63/804576863.db2.gz FDHIWXZMCCGTTB-LTDKPHRXSA-N 1 3 272.436 3.067 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCC[C@@H]2C(C)C)C[C@@H](CC)N1 ZINC001246884294 804579740 /nfs/dbraw/zinc/57/97/40/804579740.db2.gz AETAUADIVKTDPM-IIAWOOMASA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCC[C@@H]2C(C)C)C[C@@H](CC)N1 ZINC001246884294 804579745 /nfs/dbraw/zinc/57/97/45/804579745.db2.gz AETAUADIVKTDPM-IIAWOOMASA-N 1 3 252.446 3.416 20 0 CGADHO C[N@H+]([C@@H]1CCNC(C)(C)C1)C(C)(C)Cc1ccccc1 ZINC001246892854 804583334 /nfs/dbraw/zinc/58/33/34/804583334.db2.gz ORWDNOHDUOEXDK-MRXNPFEDSA-N 1 3 274.452 3.470 20 0 CGADHO C[N@@H+]([C@@H]1CCNC(C)(C)C1)C(C)(C)Cc1ccccc1 ZINC001246892854 804583338 /nfs/dbraw/zinc/58/33/38/804583338.db2.gz ORWDNOHDUOEXDK-MRXNPFEDSA-N 1 3 274.452 3.470 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901355 804588582 /nfs/dbraw/zinc/58/85/82/804588582.db2.gz MNDHCVIKQISGAR-HBUWYVDXSA-N 1 3 283.419 3.445 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901355 804588586 /nfs/dbraw/zinc/58/85/86/804588586.db2.gz MNDHCVIKQISGAR-HBUWYVDXSA-N 1 3 283.419 3.445 20 0 CGADHO CCCN(C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccccc1F ZINC001246977652 804626367 /nfs/dbraw/zinc/62/63/67/804626367.db2.gz SRVGSQCELNNYHK-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H]1CC([NH+]2CCC3(Cc4ccccc4N3)CC2)C[C@@H](C)N1 ZINC001247003427 804636012 /nfs/dbraw/zinc/63/60/12/804636012.db2.gz SATUGOIDAPOABS-HUUCEWRRSA-N 1 3 299.462 3.018 20 0 CGADHO C[C@@H]1CC(N2CCC3(Cc4ccccc4N3)CC2)C[C@@H](C)[NH2+]1 ZINC001247003427 804636015 /nfs/dbraw/zinc/63/60/15/804636015.db2.gz SATUGOIDAPOABS-HUUCEWRRSA-N 1 3 299.462 3.018 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1coc3ccc(F)cc13)CC2 ZINC001141856744 804675298 /nfs/dbraw/zinc/67/52/98/804675298.db2.gz OQMSSRBREBOHSD-UHFFFAOYSA-N 1 3 288.366 3.100 20 0 CGADHO C[NH+]1CC2(C1)CCN(Cc1coc3ccc(F)cc13)CC2 ZINC001141856744 804675300 /nfs/dbraw/zinc/67/53/00/804675300.db2.gz OQMSSRBREBOHSD-UHFFFAOYSA-N 1 3 288.366 3.100 20 0 CGADHO C[NH+]1CC2(C1)CCN(Cc1c3ccoc3ccc1F)CC2 ZINC001248542115 804947356 /nfs/dbraw/zinc/94/73/56/804947356.db2.gz YADGVANQABVTNZ-UHFFFAOYSA-N 1 3 288.366 3.100 20 0 CGADHO Cc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1N ZINC001166887836 807111624 /nfs/dbraw/zinc/11/16/24/807111624.db2.gz ADYDSTKZFWLCNT-INIZCTEOSA-N 1 3 296.418 3.221 20 0 CGADHO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257505495 807184435 /nfs/dbraw/zinc/18/44/35/807184435.db2.gz FHDAYVJDHDBGHJ-ULQDDVLXSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC001258005768 807263998 /nfs/dbraw/zinc/26/39/98/807263998.db2.gz WESYSZXTFWJBGP-GOSISDBHSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)CN1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC001258014564 807266497 /nfs/dbraw/zinc/26/64/97/807266497.db2.gz NOBBEMZXWPOPQI-UHFFFAOYSA-N 1 3 290.451 3.118 20 0 CGADHO CC(C)CN1CCC([N@@H+](C)CCOc2ccccc2)CC1 ZINC001258014564 807266504 /nfs/dbraw/zinc/26/65/04/807266504.db2.gz NOBBEMZXWPOPQI-UHFFFAOYSA-N 1 3 290.451 3.118 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001258014278 807267160 /nfs/dbraw/zinc/26/71/60/807267160.db2.gz IAHWDIFADPEMDZ-SFHVURJKSA-N 1 3 287.451 3.339 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001258014278 807267163 /nfs/dbraw/zinc/26/71/63/807267163.db2.gz IAHWDIFADPEMDZ-SFHVURJKSA-N 1 3 287.451 3.339 20 0 CGADHO CC[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995327 807294275 /nfs/dbraw/zinc/29/42/75/807294275.db2.gz ARJCARCKVPLMBT-VPSFDDGASA-N 1 3 262.441 3.266 20 0 CGADHO CC[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995327 807294277 /nfs/dbraw/zinc/29/42/77/807294277.db2.gz ARJCARCKVPLMBT-VPSFDDGASA-N 1 3 262.441 3.266 20 0 CGADHO C[N@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995699 807295106 /nfs/dbraw/zinc/29/51/06/807295106.db2.gz OJUCXHOJGLLFIB-SJPCQFCGSA-N 1 3 262.441 3.266 20 0 CGADHO C[N@@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167995699 807295111 /nfs/dbraw/zinc/29/51/11/807295111.db2.gz OJUCXHOJGLLFIB-SJPCQFCGSA-N 1 3 262.441 3.266 20 0 CGADHO FC1(F)C[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995695 807295493 /nfs/dbraw/zinc/29/54/93/807295493.db2.gz OHQSTXJXMATKLO-QXULXFAOSA-N 1 3 296.405 3.123 20 0 CGADHO FC1(F)C[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995695 807295497 /nfs/dbraw/zinc/29/54/97/807295497.db2.gz OHQSTXJXMATKLO-QXULXFAOSA-N 1 3 296.405 3.123 20 0 CGADHO C[C@@H]1CC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@@H](C)C1 ZINC001258161700 807329635 /nfs/dbraw/zinc/32/96/35/807329635.db2.gz SZMMUZRBDXLMGJ-OVWQWFNUSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](Cc1ccco1)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001258181226 807344741 /nfs/dbraw/zinc/34/47/41/807344741.db2.gz KQGQGJHIPPMSGR-AWEZNQCLSA-N 1 3 276.424 3.065 20 0 CGADHO C[C@@H](Cc1ccco1)NC1CC[NH+](CC2CCC2)CC1 ZINC001258181226 807344748 /nfs/dbraw/zinc/34/47/48/807344748.db2.gz KQGQGJHIPPMSGR-AWEZNQCLSA-N 1 3 276.424 3.065 20 0 CGADHO CSCC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258205359 807363040 /nfs/dbraw/zinc/36/30/40/807363040.db2.gz HWIPHQVWTBOCLY-LBPRGKRZSA-N 1 3 272.502 3.369 20 0 CGADHO FC1(C[NH2+]C2CCN(CC3CC3)CC2)CCCCC1 ZINC001168351307 807390512 /nfs/dbraw/zinc/39/05/12/807390512.db2.gz PXWRDJXBROKOIG-UHFFFAOYSA-N 1 3 268.420 3.123 20 0 CGADHO CN([C@@H]1CCc2ccccc21)C1CC[NH+](CC2CC2)CC1 ZINC001168398813 807404569 /nfs/dbraw/zinc/40/45/69/807404569.db2.gz WBFGVYUMYMLFCN-LJQANCHMSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141450 807588445 /nfs/dbraw/zinc/58/84/45/807588445.db2.gz QNOCENJGTBCCAY-LVQVYYBASA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H](c3ccccc3F)C1)C2 ZINC001169141450 807588448 /nfs/dbraw/zinc/58/84/48/807588448.db2.gz QNOCENJGTBCCAY-LVQVYYBASA-N 1 3 288.410 3.240 20 0 CGADHO CN(CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142623 807590379 /nfs/dbraw/zinc/59/03/79/807590379.db2.gz DRSKQWRIBOLRMO-FVQHAEBGSA-N 1 3 292.854 3.440 20 0 CGADHO CN(CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142623 807590387 /nfs/dbraw/zinc/59/03/87/807590387.db2.gz DRSKQWRIBOLRMO-FVQHAEBGSA-N 1 3 292.854 3.440 20 0 CGADHO CC[NH+](CC)C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC001258825160 807640213 /nfs/dbraw/zinc/64/02/13/807640213.db2.gz ZWHWYQMALUDNMV-ZBFHGGJFSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258831496 807647391 /nfs/dbraw/zinc/64/73/91/807647391.db2.gz USHXVYSNPXHFMG-UHFFFAOYSA-N 1 3 297.531 3.063 20 0 CGADHO CC(C)CCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001170073702 807748032 /nfs/dbraw/zinc/74/80/32/807748032.db2.gz MBYXGNAOFFTIMI-MRXNPFEDSA-N 1 3 275.440 3.418 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1CC2(C1)CC[NH+](C)CC2 ZINC001170283937 807812971 /nfs/dbraw/zinc/81/29/71/807812971.db2.gz CEZBQPKJEUGZOD-AWEZNQCLSA-N 1 3 292.854 3.299 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([NH+]3C(C)(C)CC(N)CC3(C)C)C[C@@H]21 ZINC001170720836 807884690 /nfs/dbraw/zinc/88/46/90/807884690.db2.gz NSVVUNXGPILGEO-ZSOGYDGISA-N 1 3 264.457 3.401 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171411654 808050304 /nfs/dbraw/zinc/05/03/04/808050304.db2.gz LDTIKQZCAJPXHN-ARFHVFGLSA-N 1 3 290.426 3.145 20 0 CGADHO CN1C(C)(C)CC([NH2+]C(C2CC2)C2CC2)CC1(C)C ZINC001171623076 808106152 /nfs/dbraw/zinc/10/61/52/808106152.db2.gz JPGGDPLCCYQQGM-UHFFFAOYSA-N 1 3 264.457 3.416 20 0 CGADHO CN1C(C)(C)CC([NH2+]CC2(C)CCOCC2)CC1(C)C ZINC001171623247 808106834 /nfs/dbraw/zinc/10/68/34/808106834.db2.gz QDMNASOZDBTUFA-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+](CCCN)C(C)C)cc1 ZINC001171657282 808112625 /nfs/dbraw/zinc/11/26/25/808112625.db2.gz DGTDSFSXIBVLCJ-INIZCTEOSA-N 1 3 262.441 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+](CCCN)C(C)C)cc1 ZINC001171657282 808112629 /nfs/dbraw/zinc/11/26/29/808112629.db2.gz DGTDSFSXIBVLCJ-INIZCTEOSA-N 1 3 262.441 3.375 20 0 CGADHO Cc1cnccc1[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112508 808179365 /nfs/dbraw/zinc/17/93/65/808179365.db2.gz WQCUXQSEZAGAGE-SFNKJDCFSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cnccc1[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112508 808179367 /nfs/dbraw/zinc/17/93/67/808179367.db2.gz WQCUXQSEZAGAGE-SFNKJDCFSA-N 1 3 299.462 3.446 20 0 CGADHO CCCCCC[C@@H](CCC)[NH+]1CCN(CCN(C)C)CC1 ZINC001172389237 808280067 /nfs/dbraw/zinc/28/00/67/808280067.db2.gz VONLYOBHTMEMNB-GOSISDBHSA-N 1 3 297.531 3.305 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@H]1CCCN1C ZINC001172842555 808457601 /nfs/dbraw/zinc/45/76/01/808457601.db2.gz RGBRTBDKUPTHCA-QWHCGFSZSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NCC[C@H]1CCC[N@@H+]1C ZINC001172842555 808457604 /nfs/dbraw/zinc/45/76/04/808457604.db2.gz RGBRTBDKUPTHCA-QWHCGFSZSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NCC[C@H]1CCC[N@H+]1C ZINC001172842555 808457606 /nfs/dbraw/zinc/45/76/06/808457606.db2.gz RGBRTBDKUPTHCA-QWHCGFSZSA-N 1 3 298.833 3.484 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3c[nH]c4ccc(O)cc34)(C1)CCC2 ZINC001275590676 808950204 /nfs/dbraw/zinc/95/02/04/808950204.db2.gz GJPBAYORDYVOPT-ZWKOTPCHSA-N 1 3 299.418 3.028 20 0 CGADHO c1c[nH]c(CN[C@]23CC[C@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c1 ZINC001275854108 808971486 /nfs/dbraw/zinc/97/14/86/808971486.db2.gz YUUFVUNKZIYKIK-HDICACEKSA-N 1 3 298.434 3.068 20 0 CGADHO c1c[nH]c(CN[C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c1 ZINC001275854108 808971490 /nfs/dbraw/zinc/97/14/90/808971490.db2.gz YUUFVUNKZIYKIK-HDICACEKSA-N 1 3 298.434 3.068 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001275955923 808979933 /nfs/dbraw/zinc/97/99/33/808979933.db2.gz AEEOAUOLDHBVAL-LJQANCHMSA-N 1 3 297.446 3.394 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001275955923 808979938 /nfs/dbraw/zinc/97/99/38/808979938.db2.gz AEEOAUOLDHBVAL-LJQANCHMSA-N 1 3 297.446 3.394 20 0 CGADHO Cc1cccc(F)c1CN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001276688938 809024565 /nfs/dbraw/zinc/02/45/65/809024565.db2.gz VMKBGPXMNDVMGB-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cccc(F)c1CN1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276688938 809024572 /nfs/dbraw/zinc/02/45/72/809024572.db2.gz VMKBGPXMNDVMGB-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC001182910835 810130783 /nfs/dbraw/zinc/13/07/83/810130783.db2.gz QYEBDUFRAVXALM-SJORKVTESA-N 1 3 286.463 3.113 20 0 CGADHO CCc1ccccc1CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001196630980 811356347 /nfs/dbraw/zinc/35/63/47/811356347.db2.gz BZVNOSVZSLFYMK-KDURUIRLSA-N 1 3 286.463 3.065 20 0 CGADHO CCc1ccccc1CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001196630980 811356355 /nfs/dbraw/zinc/35/63/55/811356355.db2.gz BZVNOSVZSLFYMK-KDURUIRLSA-N 1 3 286.463 3.065 20 0 CGADHO CC[C@H](C)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201511383 811877160 /nfs/dbraw/zinc/87/71/60/811877160.db2.gz LDCMOWZDSZMBTD-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@H](C)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201511383 811877166 /nfs/dbraw/zinc/87/71/66/811877166.db2.gz LDCMOWZDSZMBTD-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC001201558204 811903273 /nfs/dbraw/zinc/90/32/73/811903273.db2.gz QXXOIMAXTGXHRO-XHSDSOJGSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cc(N2CCN(CCCc3ccccc3)CC2)cc[nH+]1 ZINC001201671260 811932733 /nfs/dbraw/zinc/93/27/33/811932733.db2.gz FAZNHLHZKONQFZ-UHFFFAOYSA-N 1 3 295.430 3.145 20 0 CGADHO C[C@H](CC[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2)N(C)C ZINC001203269797 812285813 /nfs/dbraw/zinc/28/58/13/812285813.db2.gz DHILZBJURLXGLP-CQSZACIVSA-N 1 3 290.451 3.220 20 0 CGADHO Cc1c(F)ccc(CN2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204741822 812722488 /nfs/dbraw/zinc/72/24/88/812722488.db2.gz CKNFRHSVACPREY-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@H](N)C1 ZINC001204877391 812759834 /nfs/dbraw/zinc/75/98/34/812759834.db2.gz IGMUBPCDMASGRU-GJZGRUSLSA-N 1 3 270.461 3.031 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H](N)C1 ZINC001204877391 812759839 /nfs/dbraw/zinc/75/98/39/812759839.db2.gz IGMUBPCDMASGRU-GJZGRUSLSA-N 1 3 270.461 3.031 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC2(c3ccccc3)CCCC2)C1 ZINC001205001335 812818787 /nfs/dbraw/zinc/81/87/87/812818787.db2.gz QATFJJGPRMCGFY-KRWDZBQOSA-N 1 3 286.463 3.430 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001205110637 812870259 /nfs/dbraw/zinc/87/02/59/812870259.db2.gz XKXCWLCQYRDVFU-SFHVURJKSA-N 1 3 281.403 3.062 20 0 CGADHO CCOc1ccc(CN2CCC[C@@](C)([NH3+])CC2)c(C)c1 ZINC001205265637 812921480 /nfs/dbraw/zinc/92/14/80/812921480.db2.gz QFRDRRPUIUHYAW-QGZVFWFLSA-N 1 3 276.424 3.097 20 0 CGADHO C[C@H]1CCN(Cc2cc(-c3ccccc3)on2)CC[C@@H]1C[NH3+] ZINC001205601961 813017443 /nfs/dbraw/zinc/01/74/43/813017443.db2.gz HEROAGWYNRFSMC-GOEBONIOSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@H]1CCN(Cc2cc(F)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205618582 813028023 /nfs/dbraw/zinc/02/80/23/813028023.db2.gz XIJBBVWKYNKEJO-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@@H](CN)[C@@H]2C)C1(C)C ZINC001205904136 813126026 /nfs/dbraw/zinc/12/60/26/813126026.db2.gz SHSFXMKHINFBBT-HRCADAONSA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@@H](CN)[C@@H]2C)C1(C)C ZINC001205904136 813126029 /nfs/dbraw/zinc/12/60/29/813126029.db2.gz SHSFXMKHINFBBT-HRCADAONSA-N 1 3 264.457 3.428 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205912787 813129752 /nfs/dbraw/zinc/12/97/52/813129752.db2.gz CKDOEWZGABAHER-KBPBESRZSA-N 1 3 264.388 3.002 20 0 CGADHO N[C@@H]1CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923302 813136013 /nfs/dbraw/zinc/13/60/13/813136013.db2.gz MOQHPHDZKFGNSI-OAHLLOKOSA-N 1 3 266.816 3.086 20 0 CGADHO N[C@@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001205923302 813136017 /nfs/dbraw/zinc/13/60/17/813136017.db2.gz MOQHPHDZKFGNSI-OAHLLOKOSA-N 1 3 266.816 3.086 20 0 CGADHO C[C@@H]1CN(Cc2cccc(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206004563 813160637 /nfs/dbraw/zinc/16/06/37/813160637.db2.gz UBGPBVOQEWPIBH-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CN(Cc2cccc(F)c2Cl)CCC[C@H]1C[NH3+] ZINC001206004560 813160829 /nfs/dbraw/zinc/16/08/29/813160829.db2.gz UBGPBVOQEWPIBH-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206043667 813179165 /nfs/dbraw/zinc/17/91/65/813179165.db2.gz QLDHHMSSOZLUMZ-RDTXWAMCSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206043667 813179169 /nfs/dbraw/zinc/17/91/69/813179169.db2.gz QLDHHMSSOZLUMZ-RDTXWAMCSA-N 1 3 268.404 3.317 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206184605 813229922 /nfs/dbraw/zinc/22/99/22/813229922.db2.gz JBLYVKKWLKHMGM-CVEARBPZSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206184605 813229925 /nfs/dbraw/zinc/22/99/25/813229925.db2.gz JBLYVKKWLKHMGM-CVEARBPZSA-N 1 3 294.414 3.125 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cccc(F)c2Cl)CC1 ZINC001206311402 813284503 /nfs/dbraw/zinc/28/45/03/813284503.db2.gz NVDAHNUQNYONMU-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@@]1(F)CCCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206405608 813315273 /nfs/dbraw/zinc/31/52/73/813315273.db2.gz QQUOJXBHYYYBDD-QGZVFWFLSA-N 1 3 276.399 3.046 20 0 CGADHO COc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)c(C)c1C ZINC001206541859 813345800 /nfs/dbraw/zinc/34/58/00/813345800.db2.gz LZUARDSUFRHHRH-SFHVURJKSA-N 1 3 290.451 3.263 20 0 CGADHO CC(C)Oc1cccc(CN2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206547590 813346295 /nfs/dbraw/zinc/34/62/95/813346295.db2.gz CSNWCVMZPKMNHT-SFHVURJKSA-N 1 3 290.451 3.425 20 0 CGADHO NC[C@@H]1CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001206606870 813372085 /nfs/dbraw/zinc/37/20/85/813372085.db2.gz VKLNAXNNIRFOFV-HNNXBMFYSA-N 1 3 280.843 3.333 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001206606870 813372091 /nfs/dbraw/zinc/37/20/91/813372091.db2.gz VKLNAXNNIRFOFV-HNNXBMFYSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606342 813372728 /nfs/dbraw/zinc/37/27/28/813372728.db2.gz LJJARFOIODCCTJ-HOTGVXAUSA-N 1 3 284.488 3.015 20 0 CGADHO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606342 813372732 /nfs/dbraw/zinc/37/27/32/813372732.db2.gz LJJARFOIODCCTJ-HOTGVXAUSA-N 1 3 284.488 3.015 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206646451 813385642 /nfs/dbraw/zinc/38/56/42/813385642.db2.gz CIIAIBCCFDZLKN-MRXNPFEDSA-N 1 3 290.451 3.343 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H](CN)CC[C@@H]2C)CC1 ZINC001206760713 813426421 /nfs/dbraw/zinc/42/64/21/813426421.db2.gz KLPCVBWMXUACEU-JONQDZQNSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H](CN)CC[C@@H]2C)CC1 ZINC001206760713 813426424 /nfs/dbraw/zinc/42/64/24/813426424.db2.gz KLPCVBWMXUACEU-JONQDZQNSA-N 1 3 250.430 3.038 20 0 CGADHO CC(C)COc1ccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767621 813430482 /nfs/dbraw/zinc/43/04/82/813430482.db2.gz CNPSOOUHUFIKCW-DOTOQJQBSA-N 1 3 290.451 3.281 20 0 CGADHO CN(C[C@@H]1CCc2ccccc21)CC(C)(C)C[NH+](C)C ZINC001207738938 813643226 /nfs/dbraw/zinc/64/32/26/813643226.db2.gz QZJHLCCLGRORHB-INIZCTEOSA-N 1 3 274.452 3.236 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC001207914463 813672163 /nfs/dbraw/zinc/67/21/63/813672163.db2.gz URSNYRCPMFZWQA-QGZVFWFLSA-N 1 3 295.430 3.316 20 0 CGADHO CN1CC=C(Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001208844195 813864266 /nfs/dbraw/zinc/86/42/66/813864266.db2.gz NYCPFGHRJPHNSY-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC001208882094 813880177 /nfs/dbraw/zinc/88/01/77/813880177.db2.gz HSVOHSNUDUCCPY-YESZJQIVSA-N 1 3 278.440 3.018 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC001208882094 813880188 /nfs/dbraw/zinc/88/01/88/813880188.db2.gz HSVOHSNUDUCCPY-YESZJQIVSA-N 1 3 278.440 3.018 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(CC2(C)CCCCC2)CC1 ZINC001208907068 813894089 /nfs/dbraw/zinc/89/40/89/813894089.db2.gz DMHHBRGQMNYCBE-UHFFFAOYSA-N 1 3 287.451 3.482 20 0 CGADHO C[C@]1(F)CCCN(CCC[NH+]2CCCCC2)CC1 ZINC001209448022 814045418 /nfs/dbraw/zinc/04/54/18/814045418.db2.gz LBQUJLLUTACBBF-HNNXBMFYSA-N 1 3 256.409 3.077 20 0 CGADHO C[C@@H]1CC[C@@H](Oc2ccc3ccccc3c2CN(C)C)C[NH2+]1 ZINC001218409580 816200650 /nfs/dbraw/zinc/20/06/50/816200650.db2.gz ZCSXKPBGZAPJNN-GDBMZVCRSA-N 1 3 298.430 3.421 20 0 CGADHO CCc1cccc(C)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222154426 816362563 /nfs/dbraw/zinc/36/25/63/816362563.db2.gz LSFLAAIDONHWDM-SFHVURJKSA-N 1 3 272.436 3.133 20 0 CGADHO Cc1ccc(CN2CCC3(CC([NH3+])C3)CC2)c(Cl)c1 ZINC001222212247 816375443 /nfs/dbraw/zinc/37/54/43/816375443.db2.gz YNGZNYPGYZOTFM-UHFFFAOYSA-N 1 3 278.827 3.352 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878316 818198086 /nfs/dbraw/zinc/19/80/86/818198086.db2.gz IAQISKMDBPDGDW-IRXDYDNUSA-N 1 3 272.436 3.194 20 0 CGADHO C[N@H+](CCc1ccc(F)cc1)Cc1cc2cnccc2[nH]1 ZINC001232014205 818233802 /nfs/dbraw/zinc/23/38/02/818233802.db2.gz KSERSOBUWWHMNF-UHFFFAOYSA-N 1 3 283.350 3.377 20 0 CGADHO C[N@@H+](CCc1ccc(F)cc1)Cc1cc2cnccc2[nH]1 ZINC001232014205 818233805 /nfs/dbraw/zinc/23/38/05/818233805.db2.gz KSERSOBUWWHMNF-UHFFFAOYSA-N 1 3 283.350 3.377 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232145459 818263434 /nfs/dbraw/zinc/26/34/34/818263434.db2.gz UFOPQOJHOGMTGK-CYBMUJFWSA-N 1 3 264.388 3.262 20 0 CGADHO C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(CN(C)C)c1 ZINC001232145459 818263439 /nfs/dbraw/zinc/26/34/39/818263439.db2.gz UFOPQOJHOGMTGK-CYBMUJFWSA-N 1 3 264.388 3.262 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001232145112 818264280 /nfs/dbraw/zinc/26/42/80/818264280.db2.gz VPSXKEQIVUWUDM-IYBDPMFKSA-N 1 3 276.399 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001232145112 818264286 /nfs/dbraw/zinc/26/42/86/818264286.db2.gz VPSXKEQIVUWUDM-IYBDPMFKSA-N 1 3 276.399 3.119 20 0 CGADHO Fc1cccc(F)c1CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160783 819019629 /nfs/dbraw/zinc/01/96/29/819019629.db2.gz ZGMUIAQDLKJWFD-KRWDZBQOSA-N 1 3 294.389 3.319 20 0 CGADHO Fc1ccccc1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232067 819041843 /nfs/dbraw/zinc/04/18/43/819041843.db2.gz GUVJMPAEGVYFBV-QGZVFWFLSA-N 1 3 276.399 3.180 20 0 CGADHO Cc1csc(CN2CCC(C3C[NH2+]C3)CC2)c1Cl ZINC001235334361 819068508 /nfs/dbraw/zinc/06/85/08/819068508.db2.gz DAARKULZCDNWIF-UHFFFAOYSA-N 1 3 284.856 3.141 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@H+](CCCCc1ccccc1)C2 ZINC001235399393 819084593 /nfs/dbraw/zinc/08/45/93/819084593.db2.gz AYINTRYTRGQBOH-MSOLQXFVSA-N 1 3 290.426 3.033 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235399393 819084594 /nfs/dbraw/zinc/08/45/94/819084594.db2.gz AYINTRYTRGQBOH-MSOLQXFVSA-N 1 3 290.426 3.033 20 0 CGADHO CC(C)c1ccc(C[C@H](C)C[N@H+](C)CCCN)cc1 ZINC001235435192 819097612 /nfs/dbraw/zinc/09/76/12/819097612.db2.gz CBZCYIAVBTXYIW-HNNXBMFYSA-N 1 3 262.441 3.269 20 0 CGADHO CC(C)c1ccc(C[C@H](C)C[N@@H+](C)CCCN)cc1 ZINC001235435192 819097619 /nfs/dbraw/zinc/09/76/19/819097619.db2.gz CBZCYIAVBTXYIW-HNNXBMFYSA-N 1 3 262.441 3.269 20 0 CGADHO CC(C)c1ccc(C[C@H](C)CN(C)CCC[NH3+])cc1 ZINC001235435192 819097624 /nfs/dbraw/zinc/09/76/24/819097624.db2.gz CBZCYIAVBTXYIW-HNNXBMFYSA-N 1 3 262.441 3.269 20 0 CGADHO CCCc1ccc(CN(CC)C2CC[NH2+]CC2)cc1 ZINC001235762962 819163380 /nfs/dbraw/zinc/16/33/80/819163380.db2.gz XUIJSQODAMQQRL-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(C[N@H+](CC)C2CCNCC2)cc1 ZINC001235762962 819163381 /nfs/dbraw/zinc/16/33/81/819163381.db2.gz XUIJSQODAMQQRL-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(C[N@@H+](CC)C2CCNCC2)cc1 ZINC001235762962 819163384 /nfs/dbraw/zinc/16/33/84/819163384.db2.gz XUIJSQODAMQQRL-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO C[NH2+]C1CCN(CC[C@@H](C)CCC=C(C)C)CC1 ZINC001235789514 819167989 /nfs/dbraw/zinc/16/79/89/819167989.db2.gz TZTRNANIKJYRRD-HNNXBMFYSA-N 1 3 252.446 3.443 20 0 CGADHO C[NH2+]C1CCN(CC[C@@H]2CC=C(C)C2(C)C)CC1 ZINC001235789517 819168943 /nfs/dbraw/zinc/16/89/43/819168943.db2.gz UAKJBBVQKQHQRM-AWEZNQCLSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)(C)c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235809766 819172494 /nfs/dbraw/zinc/17/24/94/819172494.db2.gz IWPDYANEXWJPNW-BJWYYQGGSA-N 1 3 272.436 3.438 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)[nH]1 ZINC001235883241 819194923 /nfs/dbraw/zinc/19/49/23/819194923.db2.gz BXOYOQIXAWTWDB-MRXNPFEDSA-N 1 3 289.467 3.276 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892243 819202515 /nfs/dbraw/zinc/20/25/15/819202515.db2.gz NIZRETJIWWZOIO-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892243 819202522 /nfs/dbraw/zinc/20/25/22/819202522.db2.gz NIZRETJIWWZOIO-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO CC[C@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001235949885 819240004 /nfs/dbraw/zinc/24/00/04/819240004.db2.gz WSEDGBIBWCHMSF-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO CC[C@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001235949885 819240025 /nfs/dbraw/zinc/24/00/25/819240025.db2.gz WSEDGBIBWCHMSF-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO CC/C=C\CCCCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958262 819245468 /nfs/dbraw/zinc/24/54/68/819245468.db2.gz CDDALCNTBLDILI-NATGHXJUSA-N 1 3 250.430 3.182 20 0 CGADHO CN(Cc1ccc(F)c2ccccc12)C[C@@H]1CCC[NH2+]C1 ZINC001235957792 819245533 /nfs/dbraw/zinc/24/55/33/819245533.db2.gz UHGUILLLMHPZSS-CQSZACIVSA-N 1 3 286.394 3.410 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235985624 819260664 /nfs/dbraw/zinc/26/06/64/819260664.db2.gz BRHOXBVHLAEFLZ-LRDDRELGSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235985624 819260669 /nfs/dbraw/zinc/26/06/69/819260669.db2.gz BRHOXBVHLAEFLZ-LRDDRELGSA-N 1 3 272.417 3.133 20 0 CGADHO FC1CC2(C1)CCC[N@H+](Cc1ccc3c(c1)CNC3)CC2 ZINC001235991746 819262037 /nfs/dbraw/zinc/26/20/37/819262037.db2.gz HHVCXXOCVQCLNX-UHFFFAOYSA-N 1 3 288.410 3.394 20 0 CGADHO FC1CC2(C1)CCC[N@@H+](Cc1ccc3c(c1)CNC3)CC2 ZINC001235991746 819262043 /nfs/dbraw/zinc/26/20/43/819262043.db2.gz HHVCXXOCVQCLNX-UHFFFAOYSA-N 1 3 288.410 3.394 20 0 CGADHO CCC[N@H+](Cc1cc(C)c(OC)cc1C)C1CCNCC1 ZINC001236180270 819357831 /nfs/dbraw/zinc/35/78/31/819357831.db2.gz FRNXHTFWPXDLIS-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCC[N@@H+](Cc1cc(C)c(OC)cc1C)C1CCNCC1 ZINC001236180270 819357833 /nfs/dbraw/zinc/35/78/33/819357833.db2.gz FRNXHTFWPXDLIS-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCCN(Cc1cc(C)c(OC)cc1C)C1CC[NH2+]CC1 ZINC001236180270 819357836 /nfs/dbraw/zinc/35/78/36/819357836.db2.gz FRNXHTFWPXDLIS-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO C[N@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@@H]1N ZINC001236215397 819378061 /nfs/dbraw/zinc/37/80/61/819378061.db2.gz HTRUKEUTEWOYTD-FUHWJXTLSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@@H]1N ZINC001236215397 819378069 /nfs/dbraw/zinc/37/80/69/819378069.db2.gz HTRUKEUTEWOYTD-FUHWJXTLSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@@H]1N ZINC001236218073 819383573 /nfs/dbraw/zinc/38/35/73/819383573.db2.gz RIRXAVFFSWVGFX-GJZGRUSLSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@H]1CCCC[C@@H]1N ZINC001236218073 819383579 /nfs/dbraw/zinc/38/35/79/819383579.db2.gz RIRXAVFFSWVGFX-GJZGRUSLSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@H+](Cc1ccccc1-n1cccc1)C1(C)CCNCC1 ZINC001236226817 819391373 /nfs/dbraw/zinc/39/13/73/819391373.db2.gz ULJIOABAXFGPRD-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO C[N@@H+](Cc1ccccc1-n1cccc1)C1(C)CCNCC1 ZINC001236226817 819391379 /nfs/dbraw/zinc/39/13/79/819391379.db2.gz ULJIOABAXFGPRD-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO CN(Cc1ccccc1-n1cccc1)C1(C)CC[NH2+]CC1 ZINC001236226817 819391383 /nfs/dbraw/zinc/39/13/83/819391383.db2.gz ULJIOABAXFGPRD-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO Cc1ccc2ccccc2c1CN1CCC[NH2+]CCC1 ZINC001236238763 819397912 /nfs/dbraw/zinc/39/79/12/819397912.db2.gz AUNHJHZYESOPBV-UHFFFAOYSA-N 1 3 268.404 3.334 20 0 CGADHO CCN(Cc1ccc2ccn(CC)c2c1)C[C@H]1CC[NH2+]C1 ZINC001236408894 819456487 /nfs/dbraw/zinc/45/64/87/819456487.db2.gz QDBZFOORGWUEIU-INIZCTEOSA-N 1 3 285.435 3.093 20 0 CGADHO NC[C@@]1(F)CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435802 819478228 /nfs/dbraw/zinc/47/82/28/819478228.db2.gz VZRIWHTZISJWGV-SFHVURJKSA-N 1 3 284.378 3.226 20 0 CGADHO NC[C@@]1(F)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001236435802 819478230 /nfs/dbraw/zinc/47/82/30/819478230.db2.gz VZRIWHTZISJWGV-SFHVURJKSA-N 1 3 284.378 3.226 20 0 CGADHO Cc1ccc2c(c1)CCN(Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001236607165 819551976 /nfs/dbraw/zinc/55/19/76/819551976.db2.gz ZNCAOSKIUIUGHQ-UHFFFAOYSA-N 1 3 292.426 3.199 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1cccc3sccc31)CC2 ZINC001236684679 819572105 /nfs/dbraw/zinc/57/21/05/819572105.db2.gz UPNHINPBSDRPCC-UHFFFAOYSA-N 1 3 286.444 3.429 20 0 CGADHO CCCN(Cc1ccccc1CC)C[C@H]1CC[NH2+]C1 ZINC001236833770 819612994 /nfs/dbraw/zinc/61/29/94/819612994.db2.gz CJDRMDBUTWHFDN-HNNXBMFYSA-N 1 3 260.425 3.071 20 0 CGADHO CCCN(Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836002 819615646 /nfs/dbraw/zinc/61/56/46/819615646.db2.gz SIFQMIOGJWSLMT-CQSZACIVSA-N 1 3 266.816 3.162 20 0 CGADHO CCCN(Cc1ccc(C)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236844162 819620739 /nfs/dbraw/zinc/62/07/39/819620739.db2.gz ULWRVDHVNKFDQH-HNNXBMFYSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@@]1(CN)CCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001237058376 819656190 /nfs/dbraw/zinc/65/61/90/819656190.db2.gz PLSPCGSGFAHIRI-INIZCTEOSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@]1(CN)CCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001237058376 819656197 /nfs/dbraw/zinc/65/61/97/819656197.db2.gz PLSPCGSGFAHIRI-INIZCTEOSA-N 1 3 280.843 3.333 20 0 CGADHO Clc1ccc(CCCN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384371 819739630 /nfs/dbraw/zinc/73/96/30/819739630.db2.gz VVJWPQFCXFGDJL-WBVHZDCISA-N 1 3 292.854 3.347 20 0 CGADHO CCc1cc(CN2CCC3(C[NH+](C)C3)CC2)ccc1Cl ZINC001237738256 819827976 /nfs/dbraw/zinc/82/79/76/819827976.db2.gz BSZZIVBPXAFFDS-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CC(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237889882 819872839 /nfs/dbraw/zinc/87/28/39/819872839.db2.gz PMPPDJIYXFEXLZ-KRWDZBQOSA-N 1 3 298.430 3.099 20 0 CGADHO CC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237889882 819872847 /nfs/dbraw/zinc/87/28/47/819872847.db2.gz PMPPDJIYXFEXLZ-KRWDZBQOSA-N 1 3 298.430 3.099 20 0 CGADHO Cc1cnc(-c2ccccc2)c(C[N@@H+](C)CCCN(C)C)c1 ZINC001238620008 820063744 /nfs/dbraw/zinc/06/37/44/820063744.db2.gz VACFEOXJUVZQPI-UHFFFAOYSA-N 1 3 297.446 3.441 20 0 CGADHO Cc1cnc(-c2ccccc2)c(C[N@H+](C)CCCN(C)C)c1 ZINC001238620008 820063754 /nfs/dbraw/zinc/06/37/54/820063754.db2.gz VACFEOXJUVZQPI-UHFFFAOYSA-N 1 3 297.446 3.441 20 0 CGADHO CN1CC=C(c2cccc3c2C2(C=C3)CC[NH2+]CC2)CC1 ZINC001241319317 821729762 /nfs/dbraw/zinc/72/97/62/821729762.db2.gz HPRIIIIPCISYFG-UHFFFAOYSA-N 1 3 280.415 3.054 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001351282264 937013535 /nfs/dbraw/zinc/01/35/35/937013535.db2.gz BYAZBMAYABEPDS-FPCVCCKLSA-N 1 3 264.457 3.275 20 0 CGADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC001352759815 937048570 /nfs/dbraw/zinc/04/85/70/937048570.db2.gz GNFUIRHJSFQQJN-JLYLLQBASA-N 1 3 284.447 3.285 20 0 CGADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC001352759815 937048573 /nfs/dbraw/zinc/04/85/73/937048573.db2.gz GNFUIRHJSFQQJN-JLYLLQBASA-N 1 3 284.447 3.285 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001459925741 937506569 /nfs/dbraw/zinc/50/65/69/937506569.db2.gz SRXBHPAGBDNSQW-QBPKDAKJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(c3ccncc3)C[C@H]2C)C1 ZINC001460799571 937545872 /nfs/dbraw/zinc/54/58/72/937545872.db2.gz FHWHNGXBQSHQGC-BRWVUGGUSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3ccncc3)C[C@H]2C)C1 ZINC001460799571 937545874 /nfs/dbraw/zinc/54/58/74/937545874.db2.gz FHWHNGXBQSHQGC-BRWVUGGUSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C[C@@H]1C ZINC001461773000 937596733 /nfs/dbraw/zinc/59/67/33/937596733.db2.gz AHWBRUQDIVMUTP-FZCLSBEQSA-N 1 3 289.467 3.489 20 0 CGADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC001462188304 937622713 /nfs/dbraw/zinc/62/27/13/937622713.db2.gz BWFSHEMWVGDFID-STQMWFEESA-N 1 3 280.378 3.427 20 0 CGADHO CC[C@H](C[NH2+]C[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC001462633288 937655547 /nfs/dbraw/zinc/65/55/47/937655547.db2.gz GKVZHSKGAXHSAR-CRAIPNDOSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308554334 933131757 /nfs/dbraw/zinc/13/17/57/933131757.db2.gz OGWOHJQVQZEZOB-QXCFHYIPSA-N 1 3 286.463 3.185 20 0 CGADHO Cc1ccc(CC[NH2+]CC[C@H](C)N2CCCCC2)cc1 ZINC001308683203 933157197 /nfs/dbraw/zinc/15/71/97/933157197.db2.gz KTLFVWSTNSIIOA-KRWDZBQOSA-N 1 3 274.452 3.392 20 0 CGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1(C)C ZINC001308683315 933157667 /nfs/dbraw/zinc/15/76/67/933157667.db2.gz MTJKQWNQLZJOCD-BRWVUGGUSA-N 1 3 296.499 3.433 20 0 CGADHO CC[N@H+](CCCN[C@H]1CSC[C@H]1C)C1CCCCC1 ZINC001308850740 933189114 /nfs/dbraw/zinc/18/91/14/933189114.db2.gz KAHHLAODZLSPHH-ZBFHGGJFSA-N 1 3 284.513 3.372 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CSC[C@H]1C)C1CCCCC1 ZINC001308850740 933189118 /nfs/dbraw/zinc/18/91/18/933189118.db2.gz KAHHLAODZLSPHH-ZBFHGGJFSA-N 1 3 284.513 3.372 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cccc2c1CCC2 ZINC001308970010 933218090 /nfs/dbraw/zinc/21/80/90/933218090.db2.gz ZKMITVBPWGHLMF-UHFFFAOYSA-N 1 3 274.452 3.195 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cccc2c1CCC2 ZINC001308970010 933218094 /nfs/dbraw/zinc/21/80/94/933218094.db2.gz ZKMITVBPWGHLMF-UHFFFAOYSA-N 1 3 274.452 3.195 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCC34CCCCC4)[C@H]2C1 ZINC001308985034 933222865 /nfs/dbraw/zinc/22/28/65/933222865.db2.gz VYGZNAREOZFYRV-LUKYLMHMSA-N 1 3 276.468 3.419 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC001326036632 934945604 /nfs/dbraw/zinc/94/56/04/934945604.db2.gz RTOCUBWBOUXAOM-YSVLISHTSA-N 1 3 276.424 3.253 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604016 934993583 /nfs/dbraw/zinc/99/35/83/934993583.db2.gz BJYZZWWXQUEJPP-TZMCWYRMSA-N 1 3 293.842 3.044 20 0 CGADHO c1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327537786 935067082 /nfs/dbraw/zinc/06/70/82/935067082.db2.gz INECWWKDMXFOCK-PBHICJAKSA-N 1 3 258.409 3.117 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC001335972806 936170201 /nfs/dbraw/zinc/17/02/01/936170201.db2.gz OTWWTZHDTNWENJ-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC001474320527 937851478 /nfs/dbraw/zinc/85/14/78/937851478.db2.gz IKYOXVIFSJHPMW-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC001474320527 937851480 /nfs/dbraw/zinc/85/14/80/937851480.db2.gz IKYOXVIFSJHPMW-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC001474320527 937851482 /nfs/dbraw/zinc/85/14/82/937851482.db2.gz IKYOXVIFSJHPMW-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC001474320527 937851484 /nfs/dbraw/zinc/85/14/84/937851484.db2.gz IKYOXVIFSJHPMW-RTBURBONSA-N 1 3 286.463 3.262 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1(C)C ZINC001474628195 937871592 /nfs/dbraw/zinc/87/15/92/937871592.db2.gz AOTXAPIVHPYUOQ-BRWVUGGUSA-N 1 3 296.499 3.292 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCc3ccsc32)C1 ZINC001549546926 938157845 /nfs/dbraw/zinc/15/78/45/938157845.db2.gz OAGQTRQGLRETEQ-OCCSQVGLSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCc3ccsc32)C1 ZINC001549546926 938157846 /nfs/dbraw/zinc/15/78/46/938157846.db2.gz OAGQTRQGLRETEQ-OCCSQVGLSA-N 1 3 264.438 3.057 20 0 CGADHO CC1(N2CCOCC2)CCC([NH2+]C2CCCCCC2)CC1 ZINC001551237618 938178463 /nfs/dbraw/zinc/17/84/63/938178463.db2.gz ZMADWBZYLGWDMW-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO Fc1ccc(/C=C/C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001560274977 938250757 /nfs/dbraw/zinc/25/07/57/938250757.db2.gz VDOYHOHITFSMDI-OWOJBTEDSA-N 1 3 288.410 3.303 20 0 CGADHO Cc1cc(F)cc(C)c1C[NH2+]C1CCN(C(C)C)CC1 ZINC001257206171 960427127 /nfs/dbraw/zinc/42/71/27/960427127.db2.gz UNYBIICOPJHSCF-UHFFFAOYSA-N 1 3 278.415 3.405 20 0 CGADHO CS[C@@H]1CCC[C@@H](NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC001579370758 960484220 /nfs/dbraw/zinc/48/42/20/960484220.db2.gz VYBILVNTBLRTAK-MGPQQGTHSA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)(CN)C[NH2+]CC1CC(C)(C)CC(C)(C)C1 ZINC001575315158 962367120 /nfs/dbraw/zinc/36/71/20/962367120.db2.gz KFZXPMKDLOHEHW-UHFFFAOYSA-N 1 3 254.462 3.413 20 0 CGADHO CC(C)CCn1cccc1CNCc1ccccc1C[NH3+] ZINC001575587098 962399956 /nfs/dbraw/zinc/39/99/56/962399956.db2.gz MQEYOFWGMNJFNB-UHFFFAOYSA-N 1 3 285.435 3.283 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC001575941062 962419922 /nfs/dbraw/zinc/41/99/22/962419922.db2.gz IEGJWAMUNMOSQI-KCQAQPDRSA-N 1 3 296.842 3.228 20 0 CGADHO C[C@]1(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503094 962467518 /nfs/dbraw/zinc/46/75/18/962467518.db2.gz LSSBMXKZJWKUPP-MSOLQXFVSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@]1(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503094 962467532 /nfs/dbraw/zinc/46/75/32/962467532.db2.gz LSSBMXKZJWKUPP-MSOLQXFVSA-N 1 3 290.426 3.222 20 0 CGADHO CCC(C)(C)CC[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001576941356 962502193 /nfs/dbraw/zinc/50/21/93/962502193.db2.gz FXWDOJZJXNVYSK-HOCLYGCPSA-N 1 3 252.446 3.264 20 0 CGADHO CCC(C)(C)CC[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001576941356 962502203 /nfs/dbraw/zinc/50/22/03/962502203.db2.gz FXWDOJZJXNVYSK-HOCLYGCPSA-N 1 3 252.446 3.264 20 0 CGADHO CCC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001577345034 962527172 /nfs/dbraw/zinc/52/71/72/962527172.db2.gz KISNUFLBMYXFPP-NOLJZWGESA-N 1 3 294.414 3.058 20 0 CGADHO CCCCO[C@@H]1C[C@H](N(C)C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463073 962548459 /nfs/dbraw/zinc/54/84/59/962548459.db2.gz JIIBWDIDGFPDKP-LZLYRXPVSA-N 1 3 296.499 3.292 20 0 CGADHO CCc1cccc2c1OCC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC001578268575 962584909 /nfs/dbraw/zinc/58/49/09/962584909.db2.gz MOGOJTYUKUMVDQ-SFHVURJKSA-N 1 3 296.414 3.321 20 0 CGADHO Cc1ccc([C@H](C)C[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)cc1 ZINC001579665605 962649765 /nfs/dbraw/zinc/64/97/65/962649765.db2.gz CZHKXWINYSNURK-CBZIJGRNSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1ccc([C@H](C)C[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)cc1 ZINC001579665605 962649770 /nfs/dbraw/zinc/64/97/70/962649770.db2.gz CZHKXWINYSNURK-CBZIJGRNSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1nc(CN2CCC3(CCC[C@@H]3C[NH3+])CC2)sc1C ZINC001579856977 962677760 /nfs/dbraw/zinc/67/77/60/962677760.db2.gz DVSGAEJZSYAXIC-CQSZACIVSA-N 1 3 293.480 3.101 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCSC1CCCCC1 ZINC001580261774 962709512 /nfs/dbraw/zinc/70/95/12/962709512.db2.gz JOVBKOCVPJCRMY-UKRRQHHQSA-N 1 3 270.486 3.159 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2cc3c(ccnc3Cl)o2)C1 ZINC001580287408 962711066 /nfs/dbraw/zinc/71/10/66/962711066.db2.gz UIIFJAGCRBSXSQ-NSHDSACASA-N 1 3 293.798 3.042 20 0 CGADHO NCCC[N@H+](CC1CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001580297724 962717585 /nfs/dbraw/zinc/71/75/85/962717585.db2.gz YWOPNQUNGOJPKQ-ZACQAIPSSA-N 1 3 264.457 3.264 20 0 CGADHO NCCC[N@@H+](CC1CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001580297724 962717600 /nfs/dbraw/zinc/71/76/00/962717600.db2.gz YWOPNQUNGOJPKQ-ZACQAIPSSA-N 1 3 264.457 3.264 20 0 CGADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1Cl ZINC000651468049 398249903 /nfs/dbraw/zinc/24/99/03/398249903.db2.gz UBCZXWCJVIKNCU-AGUYFDCRSA-N 1 3 294.826 3.063 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000651683642 398268312 /nfs/dbraw/zinc/26/83/12/398268312.db2.gz HWKOZXFTCZYRCR-OAHLLOKOSA-N 1 3 284.488 3.290 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000651686260 398268903 /nfs/dbraw/zinc/26/89/03/398268903.db2.gz VYMITGKQJZLFKE-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000651706243 398272455 /nfs/dbraw/zinc/27/24/55/398272455.db2.gz XYWBWFFDKBFPIA-JKSUJKDBSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000651706243 398272456 /nfs/dbraw/zinc/27/24/56/398272456.db2.gz XYWBWFFDKBFPIA-JKSUJKDBSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000651706243 398272459 /nfs/dbraw/zinc/27/24/59/398272459.db2.gz XYWBWFFDKBFPIA-JKSUJKDBSA-N 1 3 284.488 3.148 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651911497 398305957 /nfs/dbraw/zinc/30/59/57/398305957.db2.gz BUUJJNVUWCGIGB-GBJTYRQASA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651911497 398305959 /nfs/dbraw/zinc/30/59/59/398305959.db2.gz BUUJJNVUWCGIGB-GBJTYRQASA-N 1 3 250.430 3.028 20 0 CGADHO CCC(CC)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512181384 282162295 /nfs/dbraw/zinc/16/22/95/282162295.db2.gz BKCMBCRVPOGQJD-HZPDHXFCSA-N 1 3 296.499 3.244 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459409 529453824 /nfs/dbraw/zinc/45/38/24/529453824.db2.gz HZABVGUIWSWKFV-KBPBESRZSA-N 1 3 286.341 3.483 20 0 CGADHO CC[C@H](NC[C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423300617 529610917 /nfs/dbraw/zinc/61/09/17/529610917.db2.gz SBVGLEFIWNLTQN-GWCFXTLKSA-N 1 3 285.229 3.085 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623354497 349786579 /nfs/dbraw/zinc/78/65/79/349786579.db2.gz XHMAUGHQYJKLGL-MRXNPFEDSA-N 1 3 290.451 3.436 20 0 CGADHO CN1CC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387467 349795890 /nfs/dbraw/zinc/79/58/90/349795890.db2.gz DVDVHWXRZYMMGJ-GDBMZVCRSA-N 1 3 288.435 3.363 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405860 349800499 /nfs/dbraw/zinc/80/04/99/349800499.db2.gz AQBQVNFBKDQBPQ-WMLDXEAASA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405860 349800501 /nfs/dbraw/zinc/80/05/01/349800501.db2.gz AQBQVNFBKDQBPQ-WMLDXEAASA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432331 349808254 /nfs/dbraw/zinc/80/82/54/349808254.db2.gz NICWUMDXCMHQTB-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623432331 349808256 /nfs/dbraw/zinc/80/82/56/349808256.db2.gz NICWUMDXCMHQTB-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO C[N@@H+]1CC[C@H](NCC(C)(C)C(F)(F)F)CC1(C)C ZINC000623515994 349825284 /nfs/dbraw/zinc/82/52/84/349825284.db2.gz ZCDPMQKMDLSFBR-JTQLQIEISA-N 1 3 266.351 3.037 20 0 CGADHO C[N@H+]1CC[C@H](NCC(C)(C)C(F)(F)F)CC1(C)C ZINC000623515994 349825286 /nfs/dbraw/zinc/82/52/86/349825286.db2.gz ZCDPMQKMDLSFBR-JTQLQIEISA-N 1 3 266.351 3.037 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657349 349859954 /nfs/dbraw/zinc/85/99/54/349859954.db2.gz OJSVMKIYSVTGKD-YESZJQIVSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CCCCO1 ZINC000623855681 349897091 /nfs/dbraw/zinc/89/70/91/349897091.db2.gz FQYLFOWJZRKZQX-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCCCO1 ZINC000623855681 349897094 /nfs/dbraw/zinc/89/70/94/349897094.db2.gz FQYLFOWJZRKZQX-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C(C1CC1)C1CC1 ZINC000036984058 344946268 /nfs/dbraw/zinc/94/62/68/344946268.db2.gz LUFRDZBFADBCTE-CYBMUJFWSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000089597320 345771631 /nfs/dbraw/zinc/77/16/31/345771631.db2.gz NQVWGORUHZCVSV-WBVHZDCISA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000089597320 345771634 /nfs/dbraw/zinc/77/16/34/345771634.db2.gz NQVWGORUHZCVSV-WBVHZDCISA-N 1 3 290.451 3.119 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000113514902 345960940 /nfs/dbraw/zinc/96/09/40/345960940.db2.gz RTAPLQBITWJEJQ-MRXNPFEDSA-N 1 3 274.452 3.368 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000113514902 345960941 /nfs/dbraw/zinc/96/09/41/345960941.db2.gz RTAPLQBITWJEJQ-MRXNPFEDSA-N 1 3 274.452 3.368 20 0 CGADHO CC[N@H+](C)Cc1cccc(CNCc2ccncc2C)c1 ZINC000295142713 199369228 /nfs/dbraw/zinc/36/92/28/199369228.db2.gz IYIDUWTXUSSAON-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CNCc2ccncc2C)c1 ZINC000295142713 199369230 /nfs/dbraw/zinc/36/92/30/199369230.db2.gz IYIDUWTXUSSAON-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250487084 346385558 /nfs/dbraw/zinc/38/55/58/346385558.db2.gz FDFFPLXVIIHZTI-HOTGVXAUSA-N 1 3 260.425 3.110 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000311466003 346473871 /nfs/dbraw/zinc/47/38/71/346473871.db2.gz XDCYMLZKKZPPML-JKIFEVAISA-N 1 3 258.409 3.166 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466003 346473875 /nfs/dbraw/zinc/47/38/75/346473875.db2.gz XDCYMLZKKZPPML-JKIFEVAISA-N 1 3 258.409 3.166 20 0 CGADHO Clc1cccc(Cl)c1CNCC[C@H]1CC[NH2+]C1 ZINC000414840970 282528730 /nfs/dbraw/zinc/52/87/30/282528730.db2.gz XMPHWHIWGFWFNO-SNVBAGLBSA-N 1 3 273.207 3.083 20 0 CGADHO Cc1ccc(SCCN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351852275 219226118 /nfs/dbraw/zinc/22/61/18/219226118.db2.gz MHMDJICSMHYCNV-HUUCEWRRSA-N 1 3 278.465 3.065 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CC2 ZINC000624120642 349976395 /nfs/dbraw/zinc/97/63/95/349976395.db2.gz DDOREPXJCYBIKI-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)COC2 ZINC000624121432 349978649 /nfs/dbraw/zinc/97/86/49/349978649.db2.gz WHIHHVGYWJONSB-LSDHHAIUSA-N 1 3 288.435 3.099 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C12CCCC2 ZINC000624122256 349979742 /nfs/dbraw/zinc/97/97/42/349979742.db2.gz NFLOSRGQJSEXNH-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)s1 ZINC000624120777 349978401 /nfs/dbraw/zinc/97/84/01/349978401.db2.gz GVIZGTNBWLCKDY-OCCSQVGLSA-N 1 3 295.496 3.396 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122132 349980696 /nfs/dbraw/zinc/98/06/96/349980696.db2.gz KMHHNGCTFATZLI-JYJNAYRXSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cs1 ZINC000624123236 349982785 /nfs/dbraw/zinc/98/27/85/349982785.db2.gz IHQSVDGZAAKHKE-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000629531205 350703753 /nfs/dbraw/zinc/70/37/53/350703753.db2.gz DFSWLCJYIKTUFF-QKPAOTATSA-N 1 3 270.461 3.076 20 0 CGADHO Cc1ccccc1C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000629536864 350705845 /nfs/dbraw/zinc/70/58/45/350705845.db2.gz GRSVUFJKTCXSOE-JLSDUUJJSA-N 1 3 272.436 3.046 20 0 CGADHO CC(C)[C@@H](NCCOCCC[NH3+])c1cc2ccccc2o1 ZINC000629538047 350706125 /nfs/dbraw/zinc/70/61/25/350706125.db2.gz LUAOEEZKOJOBMG-QGZVFWFLSA-N 1 3 290.407 3.085 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629550349 350711345 /nfs/dbraw/zinc/71/13/45/350711345.db2.gz LXDLVTXDYYAGPM-VXGBXAGGSA-N 1 3 278.362 3.359 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccccc1CC(F)(F)F ZINC000629554705 350711989 /nfs/dbraw/zinc/71/19/89/350711989.db2.gz OBESNXHHTGZFPY-QWRGUYRKSA-N 1 3 274.330 3.007 20 0 CGADHO CCC[C@@H](C)CCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516362 350699673 /nfs/dbraw/zinc/69/96/73/350699673.db2.gz BPDPTKHXWPWZBD-JZWPEALZSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631566676 351068804 /nfs/dbraw/zinc/06/88/04/351068804.db2.gz RPRKOVUQIFMQMN-SFHVURJKSA-N 1 3 287.451 3.169 20 0 CGADHO C[C@@H](Cc1ccsc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733078 351578153 /nfs/dbraw/zinc/57/81/53/351578153.db2.gz WWTSYCNJKSGAOY-GXTWGEPZSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733078 351578159 /nfs/dbraw/zinc/57/81/59/351578159.db2.gz WWTSYCNJKSGAOY-GXTWGEPZSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006000 351623732 /nfs/dbraw/zinc/62/37/32/351623732.db2.gz KOLNUJJSSWVZLO-RHSMWYFYSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@H](Cc1ccsc1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635006000 351623737 /nfs/dbraw/zinc/62/37/37/351623737.db2.gz KOLNUJJSSWVZLO-RHSMWYFYSA-N 1 3 288.460 3.229 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635006195 351624617 /nfs/dbraw/zinc/62/46/17/351624617.db2.gz LFAMXBSRKQSJBG-CVEARBPZSA-N 1 3 260.425 3.115 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CCC[C@H]1CCCF)Cc1ccccc1 ZINC000635006533 351624772 /nfs/dbraw/zinc/62/47/72/351624772.db2.gz LTORMOHTHWOFLJ-KSZLIROESA-N 1 3 292.442 3.455 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000635012471 351630665 /nfs/dbraw/zinc/63/06/65/351630665.db2.gz UDQCARYYPNJMMZ-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155689 198184778 /nfs/dbraw/zinc/18/47/78/198184778.db2.gz OCAYZTHIMZAZLI-INIZCTEOSA-N 1 3 280.362 3.152 20 0 CGADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155689 198184780 /nfs/dbraw/zinc/18/47/80/198184780.db2.gz OCAYZTHIMZAZLI-INIZCTEOSA-N 1 3 280.362 3.152 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367613451 234232054 /nfs/dbraw/zinc/23/20/54/234232054.db2.gz COOYERNALZIKMO-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367613451 234232057 /nfs/dbraw/zinc/23/20/57/234232057.db2.gz COOYERNALZIKMO-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367613451 234232060 /nfs/dbraw/zinc/23/20/60/234232060.db2.gz COOYERNALZIKMO-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Fc1ccccc1[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000423096028 283030487 /nfs/dbraw/zinc/03/04/87/283030487.db2.gz NTAUSVPSWFPNKP-RBSFLKMASA-N 1 3 276.399 3.194 20 0 CGADHO COCC(C)(C)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411234723 235039987 /nfs/dbraw/zinc/03/99/87/235039987.db2.gz ZGMWJRXKOBKXSZ-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000271822981 191348802 /nfs/dbraw/zinc/34/88/02/191348802.db2.gz NEAKOELSHGYBLG-UHFFFAOYSA-N 1 3 278.465 3.397 20 0 CGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(F)cc1 ZINC000271877946 191384360 /nfs/dbraw/zinc/38/43/60/191384360.db2.gz OPIJEKLUUHECHG-INIZCTEOSA-N 1 3 262.372 3.128 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000271890301 191393779 /nfs/dbraw/zinc/39/37/79/191393779.db2.gz VSCXNABHMALWET-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415063624 235522328 /nfs/dbraw/zinc/52/23/28/235522328.db2.gz AQHLYSYMBOFKPQ-SJORKVTESA-N 1 3 258.409 3.054 20 0 CGADHO CCC[N@H+](CC1CCCCC1)C[C@@H]1CCCNC1 ZINC000226436986 283195567 /nfs/dbraw/zinc/19/55/67/283195567.db2.gz JDADURAMPAQKGL-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO CCC[N@@H+](CC1CCCCC1)C[C@@H]1CCCNC1 ZINC000226436986 283195571 /nfs/dbraw/zinc/19/55/71/283195571.db2.gz JDADURAMPAQKGL-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO C[NH+]1CCC(CNCc2ccc(-c3ccccc3)o2)CC1 ZINC000105459217 138352882 /nfs/dbraw/zinc/35/28/82/138352882.db2.gz ARRSZAKTEJZLLE-UHFFFAOYSA-N 1 3 284.403 3.378 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000110920465 138363684 /nfs/dbraw/zinc/36/36/84/138363684.db2.gz WSBMSILNTCYHSK-NSHDSACASA-N 1 3 286.341 3.265 20 0 CGADHO COc1ccccc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000125348353 138381468 /nfs/dbraw/zinc/38/14/68/138381468.db2.gz CWBIJTAANQJBQL-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(-c3ccccn3)c2)CC[N@@H+]1C ZINC000128380845 138393137 /nfs/dbraw/zinc/39/31/37/138393137.db2.gz IBHCHTPZXUEHDZ-MAUKXSAKSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128380845 138393138 /nfs/dbraw/zinc/39/31/38/138393138.db2.gz IBHCHTPZXUEHDZ-MAUKXSAKSA-N 1 3 295.430 3.321 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423085752 235970200 /nfs/dbraw/zinc/97/02/00/235970200.db2.gz LHOXZWCATBASIP-WTTBNOFXSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423227214 236002683 /nfs/dbraw/zinc/00/26/83/236002683.db2.gz UWKPMNGZYQMXEH-UONOGXRCSA-N 1 3 269.392 3.137 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000423319179 236036649 /nfs/dbraw/zinc/03/66/49/236036649.db2.gz DAVYSDKHDCFPHI-IIDMSEBBSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@]1(CN[C@@H](c2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423350296 236047118 /nfs/dbraw/zinc/04/71/18/236047118.db2.gz XGJUVMQZSZJRIX-DLBZAZTESA-N 1 3 258.409 3.117 20 0 CGADHO C[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCCNC1 ZINC000423350296 236047121 /nfs/dbraw/zinc/04/71/21/236047121.db2.gz XGJUVMQZSZJRIX-DLBZAZTESA-N 1 3 258.409 3.117 20 0 CGADHO Cc1nccn1-c1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423364427 236051303 /nfs/dbraw/zinc/05/13/03/236051303.db2.gz AQHJLXXKVSBCOO-JQFCIGGWSA-N 1 3 298.434 3.101 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000423400468 236064825 /nfs/dbraw/zinc/06/48/25/236064825.db2.gz VMHMAUUXIZOOAF-WCQGTBRESA-N 1 3 270.779 3.400 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423436865 236071662 /nfs/dbraw/zinc/07/16/62/236071662.db2.gz LXOUGBLMNCPUEO-VBNZEHGJSA-N 1 3 284.403 3.472 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423442402 236072531 /nfs/dbraw/zinc/07/25/31/236072531.db2.gz BRXHODTVEMNZFV-SUNYJGFJSA-N 1 3 286.394 3.435 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1Cl ZINC000423452224 236074348 /nfs/dbraw/zinc/07/43/48/236074348.db2.gz YWOMINWXKJZMPU-DIOULYMOSA-N 1 3 278.827 3.379 20 0 CGADHO COC[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423469621 236078202 /nfs/dbraw/zinc/07/82/02/236078202.db2.gz CVFCQBJCUYTRTF-CVEARBPZSA-N 1 3 296.842 3.149 20 0 CGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000423499267 236086990 /nfs/dbraw/zinc/08/69/90/236086990.db2.gz JGZFKLLLDNXISE-WMLDXEAASA-N 1 3 269.392 3.212 20 0 CGADHO C[C@H](Cc1coc2ccccc12)NCCC[NH2+]C1CC1 ZINC000423568628 236099120 /nfs/dbraw/zinc/09/91/20/236099120.db2.gz VSQWSTOCJDLBTK-CYBMUJFWSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]CCCNC1CC1 ZINC000423568628 236099121 /nfs/dbraw/zinc/09/91/21/236099121.db2.gz VSQWSTOCJDLBTK-CYBMUJFWSA-N 1 3 272.392 3.096 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000424378493 236158772 /nfs/dbraw/zinc/15/87/72/236158772.db2.gz SUIKVWIKWWMXET-HZSPNIEDSA-N 1 3 262.422 3.083 20 0 CGADHO C[C@@H]1CC2(CN1Cc1cc(F)cc(Cl)c1)CC[NH2+]CC2 ZINC000424378507 236159189 /nfs/dbraw/zinc/15/91/89/236159189.db2.gz NHOXXHYLQRRDHE-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCCO2 ZINC000425924516 236273386 /nfs/dbraw/zinc/27/33/86/236273386.db2.gz PNXBCPDPVUMMNZ-DYVFJYSZSA-N 1 3 290.451 3.304 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425941133 236274574 /nfs/dbraw/zinc/27/45/74/236274574.db2.gz CUCZXBDJZLZRCW-ZIAGYGMSSA-N 1 3 280.481 3.127 20 0 CGADHO COCC(C)(C)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000426413031 236293822 /nfs/dbraw/zinc/29/38/22/236293822.db2.gz QUPAIRYJMFVZEQ-QGZVFWFLSA-N 1 3 296.499 3.103 20 0 CGADHO COCC(C)(C)C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000426413031 236293823 /nfs/dbraw/zinc/29/38/23/236293823.db2.gz QUPAIRYJMFVZEQ-QGZVFWFLSA-N 1 3 296.499 3.103 20 0 CGADHO COCC(C)(C)C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000426413031 236293825 /nfs/dbraw/zinc/29/38/25/236293825.db2.gz QUPAIRYJMFVZEQ-QGZVFWFLSA-N 1 3 296.499 3.103 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc3ccoc32)CC[N@@H+]1C ZINC000336221993 213048638 /nfs/dbraw/zinc/04/86/38/213048638.db2.gz CUKPKBNVWFYAHM-WFASDCNBSA-N 1 3 258.365 3.005 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc3ccoc32)CC[N@H+]1C ZINC000336221993 213048642 /nfs/dbraw/zinc/04/86/42/213048642.db2.gz CUKPKBNVWFYAHM-WFASDCNBSA-N 1 3 258.365 3.005 20 0 CGADHO [NH3+]CC1CCC(N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000335182138 283427266 /nfs/dbraw/zinc/42/72/66/283427266.db2.gz YKOBLHCWKNXIMN-OCTTZUBCSA-N 1 3 298.352 3.198 20 0 CGADHO NC1(C[NH2+]Cc2ccc(-c3ccccc3)cc2)CCC1 ZINC000342141340 216235711 /nfs/dbraw/zinc/23/57/11/216235711.db2.gz ULOMGYNFDGWGQG-UHFFFAOYSA-N 1 3 266.388 3.325 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C(C)(C)c1ccccc1 ZINC000423330417 299321965 /nfs/dbraw/zinc/32/19/65/299321965.db2.gz NRTZQOWBKRDSJX-MAUKXSAKSA-N 1 3 274.452 3.332 20 0 CGADHO Cc1ccc2nccc(NC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000302149574 201367352 /nfs/dbraw/zinc/36/73/52/201367352.db2.gz JSMDSDJTVQYFRS-AWEZNQCLSA-N 1 3 269.392 3.297 20 0 CGADHO Cc1ccc2nccc(NC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000302149574 201367356 /nfs/dbraw/zinc/36/73/56/201367356.db2.gz JSMDSDJTVQYFRS-AWEZNQCLSA-N 1 3 269.392 3.297 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000449176106 239222586 /nfs/dbraw/zinc/22/25/86/239222586.db2.gz RZKOFUWGHJWXOY-HZPDHXFCSA-N 1 3 272.392 3.395 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449379338 239366380 /nfs/dbraw/zinc/36/63/80/239366380.db2.gz SVXWXDDRCRCBPJ-KURKYZTESA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449379338 239366386 /nfs/dbraw/zinc/36/63/86/239366386.db2.gz SVXWXDDRCRCBPJ-KURKYZTESA-N 1 3 284.447 3.323 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000247138694 296121907 /nfs/dbraw/zinc/12/19/07/296121907.db2.gz VZRYPVDUXWITHF-QLFBSQMISA-N 1 3 296.480 3.288 20 0 CGADHO CC(C)N(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000124779362 370927008 /nfs/dbraw/zinc/92/70/08/370927008.db2.gz KZVNYJBEPIUGHP-QGZVFWFLSA-N 1 3 260.425 3.381 20 0 CGADHO CC(C)N(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000124779362 370927014 /nfs/dbraw/zinc/92/70/14/370927014.db2.gz KZVNYJBEPIUGHP-QGZVFWFLSA-N 1 3 260.425 3.381 20 0 CGADHO COCc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000125545506 370936893 /nfs/dbraw/zinc/93/68/93/370936893.db2.gz XTTIINFRBNHPRK-HNNXBMFYSA-N 1 3 294.439 3.170 20 0 CGADHO COCc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000125545506 370936901 /nfs/dbraw/zinc/93/69/01/370936901.db2.gz XTTIINFRBNHPRK-HNNXBMFYSA-N 1 3 294.439 3.170 20 0 CGADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000032181733 368929346 /nfs/dbraw/zinc/92/93/46/368929346.db2.gz NORPBYZOXAMNJV-MRXNPFEDSA-N 1 3 298.430 3.478 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649171 369095051 /nfs/dbraw/zinc/09/50/51/369095051.db2.gz OSAGBIACIPGEEJ-DYVFJYSZSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649171 369095056 /nfs/dbraw/zinc/09/50/56/369095056.db2.gz OSAGBIACIPGEEJ-DYVFJYSZSA-N 1 3 276.399 3.351 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644262 369095854 /nfs/dbraw/zinc/09/58/54/369095854.db2.gz SZJNJDOJTGUOHN-GJZGRUSLSA-N 1 3 272.436 3.168 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644262 369095858 /nfs/dbraw/zinc/09/58/58/369095858.db2.gz SZJNJDOJTGUOHN-GJZGRUSLSA-N 1 3 272.436 3.168 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000037644262 369095860 /nfs/dbraw/zinc/09/58/60/369095860.db2.gz SZJNJDOJTGUOHN-GJZGRUSLSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649228 369097443 /nfs/dbraw/zinc/09/74/43/369097443.db2.gz SYESUSDOPHKDRA-VXGBXAGGSA-N 1 3 280.362 3.100 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C)CN1CCCCC1 ZINC000037997622 369135762 /nfs/dbraw/zinc/13/57/62/369135762.db2.gz MGZVZTGDCCEDEC-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CC[NH+](CC)CCCNc1ccnc2ccccc21 ZINC000041720355 369196478 /nfs/dbraw/zinc/19/64/78/369196478.db2.gz RFSFFVMXAWIPCO-UHFFFAOYSA-N 1 3 257.381 3.379 20 0 CGADHO CC(C)Oc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228470933 189792218 /nfs/dbraw/zinc/79/22/18/189792218.db2.gz VBXSSWSUWOEOPH-CGTJXYLNSA-N 1 3 288.435 3.033 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCNC(C)(C)COCc1ccccc1 ZINC000337291925 376196904 /nfs/dbraw/zinc/19/69/04/376196904.db2.gz FNMQRJSRVVKXDH-KRWDZBQOSA-N 1 3 290.451 3.056 20 0 CGADHO C[N@H+]1CCC[C@H]1CCNC(C)(C)COCc1ccccc1 ZINC000337291925 376196910 /nfs/dbraw/zinc/19/69/10/376196910.db2.gz FNMQRJSRVVKXDH-KRWDZBQOSA-N 1 3 290.451 3.056 20 0 CGADHO Cc1cc(NCC[N@@H+](C)C2CC2)c2ccccc2n1 ZINC000062010315 369614144 /nfs/dbraw/zinc/61/41/44/369614144.db2.gz DVJHQZZAQQYVNV-UHFFFAOYSA-N 1 3 255.365 3.049 20 0 CGADHO Cc1cc(NCC[N@H+](C)C2CC2)c2ccccc2n1 ZINC000062010315 369614149 /nfs/dbraw/zinc/61/41/49/369614149.db2.gz DVJHQZZAQQYVNV-UHFFFAOYSA-N 1 3 255.365 3.049 20 0 CGADHO Cc1cc(C)cc(OCCCN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173913 369786574 /nfs/dbraw/zinc/78/65/74/369786574.db2.gz NUBBPBXOYBYXHJ-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO C[NH2+]CCC1CCN(c2ccnc3ccccc32)CC1 ZINC000070190064 369788879 /nfs/dbraw/zinc/78/88/79/369788879.db2.gz GTWITLFHBQAQJF-UHFFFAOYSA-N 1 3 269.392 3.061 20 0 CGADHO Cc1ccccc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163761 370031460 /nfs/dbraw/zinc/03/14/60/370031460.db2.gz CXDHLTUHRKQTHF-ALOPSCKCSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1ccccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163761 370031470 /nfs/dbraw/zinc/03/14/70/370031470.db2.gz CXDHLTUHRKQTHF-ALOPSCKCSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000104420020 370345095 /nfs/dbraw/zinc/34/50/95/370345095.db2.gz MWPBOZIIABZAET-HZPDHXFCSA-N 1 3 260.425 3.171 20 0 CGADHO C/C(=C/c1ccc(Cl)cc1)CNC1CC[NH+](C)CC1 ZINC000513015390 245061823 /nfs/dbraw/zinc/06/18/23/245061823.db2.gz VIMIRTVIUYSMDV-QBFSEMIESA-N 1 3 278.827 3.427 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000113512597 370475905 /nfs/dbraw/zinc/47/59/05/370475905.db2.gz ZWLJCPSSVUCPSC-QGZVFWFLSA-N 1 3 260.425 3.023 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000113512597 370475907 /nfs/dbraw/zinc/47/59/07/370475907.db2.gz ZWLJCPSSVUCPSC-QGZVFWFLSA-N 1 3 260.425 3.023 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000513654495 245087496 /nfs/dbraw/zinc/08/74/96/245087496.db2.gz IUACPNHKQYUDCU-JYJNAYRXSA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000513654495 245087500 /nfs/dbraw/zinc/08/75/00/245087500.db2.gz IUACPNHKQYUDCU-JYJNAYRXSA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000513654495 245087503 /nfs/dbraw/zinc/08/75/03/245087503.db2.gz IUACPNHKQYUDCU-JYJNAYRXSA-N 1 3 278.827 3.302 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130196858 371016978 /nfs/dbraw/zinc/01/69/78/371016978.db2.gz HXMLXLXGTLRYRP-RYQLBKOJSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130196858 371016983 /nfs/dbraw/zinc/01/69/83/371016983.db2.gz HXMLXLXGTLRYRP-RYQLBKOJSA-N 1 3 272.436 3.142 20 0 CGADHO COCc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)o1 ZINC000131062676 371080757 /nfs/dbraw/zinc/08/07/57/371080757.db2.gz KAEUIMJVWFGURF-GOEBONIOSA-N 1 3 292.423 3.047 20 0 CGADHO COCc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)o1 ZINC000131062676 371080763 /nfs/dbraw/zinc/08/07/63/371080763.db2.gz KAEUIMJVWFGURF-GOEBONIOSA-N 1 3 292.423 3.047 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000152173129 371681889 /nfs/dbraw/zinc/68/18/89/371681889.db2.gz REILDGIYZNZLHM-DZKIICNBSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000422708528 371760981 /nfs/dbraw/zinc/76/09/81/371760981.db2.gz JAJWLNBDXHZMQX-XEZPLFJOSA-N 1 3 296.430 3.335 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000422706187 371761445 /nfs/dbraw/zinc/76/14/45/371761445.db2.gz SXRJIEFIENPNNU-GNNTXSLPSA-N 1 3 275.440 3.324 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422764633 371792293 /nfs/dbraw/zinc/79/22/93/371792293.db2.gz KCIKNJHOKVJJLI-DLBZAZTESA-N 1 3 292.492 3.335 20 0 CGADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)c1ccccc1 ZINC000422716464 371766108 /nfs/dbraw/zinc/76/61/08/371766108.db2.gz UGTODAWIWUDQMM-JTUUTPGSSA-N 1 3 272.436 3.225 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422766070 371792914 /nfs/dbraw/zinc/79/29/14/371792914.db2.gz RKUNWXVTRXIJNR-UONOGXRCSA-N 1 3 297.240 3.199 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(COc2ccccc2)c1 ZINC000422730858 371773147 /nfs/dbraw/zinc/77/31/47/371773147.db2.gz KOPGTXVLIFDIJE-HOTGVXAUSA-N 1 3 298.430 3.481 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc(Cl)c1 ZINC000422739074 371776593 /nfs/dbraw/zinc/77/65/93/371776593.db2.gz ZVJJHYDEWRWAEK-LLVKDONJSA-N 1 3 289.810 3.353 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1ccc(F)cc1Cl ZINC000422737771 371777607 /nfs/dbraw/zinc/77/76/07/371777607.db2.gz XXWRKDSGBRZTDQ-GHMZBOCLSA-N 1 3 286.822 3.472 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)COC1CCCC1 ZINC000422823492 371831531 /nfs/dbraw/zinc/83/15/31/371831531.db2.gz DKGPAXVPXITMDH-KZNAEPCWSA-N 1 3 294.483 3.236 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422828653 371831603 /nfs/dbraw/zinc/83/16/03/371831603.db2.gz ORZAKSRJHZIHDB-RBSFLKMASA-N 1 3 296.361 3.135 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422835601 371832896 /nfs/dbraw/zinc/83/28/96/371832896.db2.gz PREWIDYALOZZQX-WMLDXEAASA-N 1 3 294.414 3.092 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000422805176 371820062 /nfs/dbraw/zinc/82/00/62/371820062.db2.gz GODBJDFDAZZTKC-IEBWSBKVSA-N 1 3 298.430 3.326 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422805176 371820073 /nfs/dbraw/zinc/82/00/73/371820073.db2.gz GODBJDFDAZZTKC-IEBWSBKVSA-N 1 3 298.430 3.326 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2cc(F)ccc2F)c2ccccc21 ZINC000422808111 371823433 /nfs/dbraw/zinc/82/34/33/371823433.db2.gz AGMXIXHTXZRYBO-SJORKVTESA-N 1 3 288.341 3.242 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000422814331 371827677 /nfs/dbraw/zinc/82/76/77/371827677.db2.gz UJQQKBGUWALYMJ-BEFAXECRSA-N 1 3 298.430 3.196 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1ccccc1F ZINC000422817615 371828631 /nfs/dbraw/zinc/82/86/31/371828631.db2.gz IAHBFERWNNFSIH-SQWLQELKSA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1F ZINC000422817615 371828639 /nfs/dbraw/zinc/82/86/39/371828639.db2.gz IAHBFERWNNFSIH-SQWLQELKSA-N 1 3 294.414 3.090 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867344 371845242 /nfs/dbraw/zinc/84/52/42/371845242.db2.gz RYIAMIOMVKVFOV-ROUUACIJSA-N 1 3 282.387 3.448 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCC1 ZINC000422872157 371847331 /nfs/dbraw/zinc/84/73/31/371847331.db2.gz FYOTXOHHRIHDCU-HUUCEWRRSA-N 1 3 252.446 3.181 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882841 371851643 /nfs/dbraw/zinc/85/16/43/371851643.db2.gz BDBYSSBHOVXUAI-WMLDXEAASA-N 1 3 285.435 3.208 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCOc3ccccc32)c2ccccc21 ZINC000422884715 371853095 /nfs/dbraw/zinc/85/30/95/371853095.db2.gz FLCFPWVYAJHZMS-FSPWUOQZSA-N 1 3 294.398 3.287 20 0 CGADHO Cc1nc(C)c(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000422885243 371853908 /nfs/dbraw/zinc/85/39/08/371853908.db2.gz GOJVNTAWCOAJLM-GJZGRUSLSA-N 1 3 287.432 3.037 20 0 CGADHO Cc1nc(C)c(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)s1 ZINC000422885243 371853912 /nfs/dbraw/zinc/85/39/12/371853912.db2.gz GOJVNTAWCOAJLM-GJZGRUSLSA-N 1 3 287.432 3.037 20 0 CGADHO Cc1nc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)sc1C ZINC000422893701 371857000 /nfs/dbraw/zinc/85/70/00/371857000.db2.gz RADKIRXDXCTGEH-IUODEOHRSA-N 1 3 295.496 3.203 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289937261 371857764 /nfs/dbraw/zinc/85/77/64/371857764.db2.gz VYKSMNHZOMRNPI-HUUCEWRRSA-N 1 3 283.419 3.227 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422891825 371858102 /nfs/dbraw/zinc/85/81/02/371858102.db2.gz LOUYSKHMEHQOHQ-IHRRRGAJSA-N 1 3 264.413 3.250 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000422895568 371859648 /nfs/dbraw/zinc/85/96/48/371859648.db2.gz GEAKEKWQQPKMEI-SJLPKXTDSA-N 1 3 290.451 3.132 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCCc2cccc(F)c2)c2ccccc21 ZINC000422909670 371863822 /nfs/dbraw/zinc/86/38/22/371863822.db2.gz OQFSDTAJKATDIM-MSOLQXFVSA-N 1 3 284.378 3.493 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000422912444 371863850 /nfs/dbraw/zinc/86/38/50/371863850.db2.gz WCVQMFMGSYTZEH-GDIGMMSISA-N 1 3 278.399 3.451 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H](C)CCCC[NH3+])cs1 ZINC000422914932 371865947 /nfs/dbraw/zinc/86/59/47/371865947.db2.gz WSKZXFLHZDSBLY-RYUDHWBXSA-N 1 3 269.458 3.435 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1cccc(Cl)c1 ZINC000422919133 371870407 /nfs/dbraw/zinc/87/04/07/371870407.db2.gz JNEQQEQNGWLMSX-DVOMOZLQSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422919133 371870415 /nfs/dbraw/zinc/87/04/15/371870415.db2.gz JNEQQEQNGWLMSX-DVOMOZLQSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccccc1C(F)(F)F ZINC000422922165 371872339 /nfs/dbraw/zinc/87/23/39/371872339.db2.gz PRJNDGODUDUFGH-AXFHLTTASA-N 1 3 274.330 3.482 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422929914 371875481 /nfs/dbraw/zinc/87/54/81/371875481.db2.gz RWJKONRVQYNDNZ-IRXDYDNUSA-N 1 3 272.436 3.116 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422944430 371882993 /nfs/dbraw/zinc/88/29/93/371882993.db2.gz MGPDMWFUXPAFLB-DLBZAZTESA-N 1 3 290.451 3.179 20 0 CGADHO CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])Oc1ccccc1Cl ZINC000422842751 371836150 /nfs/dbraw/zinc/83/61/50/371836150.db2.gz ZHQOUCOILYKUNN-JHJVBQTASA-N 1 3 284.831 3.213 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422850671 371841050 /nfs/dbraw/zinc/84/10/50/371841050.db2.gz NYRWJLRUCSWPFP-SYQHCUMBSA-N 1 3 292.389 3.333 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000423056023 371937597 /nfs/dbraw/zinc/93/75/97/371937597.db2.gz XPPYEDJSWCCDMF-VXGBXAGGSA-N 1 3 261.413 3.078 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948006 371887294 /nfs/dbraw/zinc/88/72/94/371887294.db2.gz RJQPERMHYXEGPE-CRAIPNDOSA-N 1 3 288.435 3.225 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(c2ccccc2)C1 ZINC000422966610 371895938 /nfs/dbraw/zinc/89/59/38/371895938.db2.gz NWBMFSNRMXORJB-GRCLEANCSA-N 1 3 294.442 3.481 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C)Oc1ccccc1 ZINC000422982527 371901983 /nfs/dbraw/zinc/90/19/83/371901983.db2.gz QZQCNEHCKDDVQG-GPMSIDNRSA-N 1 3 298.430 3.002 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423016046 371916213 /nfs/dbraw/zinc/91/62/13/371916213.db2.gz SEUMSAJCBMOJMM-HZPDHXFCSA-N 1 3 294.389 3.246 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423016048 371917123 /nfs/dbraw/zinc/91/71/23/371917123.db2.gz SEUMSAJCBMOJMM-JKSUJKDBSA-N 1 3 294.389 3.246 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423064307 371944009 /nfs/dbraw/zinc/94/40/09/371944009.db2.gz QXBJMMQXIOXZMH-VXGBXAGGSA-N 1 3 293.842 3.090 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(F)(F)F ZINC000423046420 371931142 /nfs/dbraw/zinc/93/11/42/371931142.db2.gz DPCBNDFGWODYNV-BNOWGMLFSA-N 1 3 286.341 3.268 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423093391 371958103 /nfs/dbraw/zinc/95/81/03/371958103.db2.gz HINBQYPCZPGMJP-CAVOSLQRSA-N 1 3 264.388 3.177 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096790 371960084 /nfs/dbraw/zinc/96/00/84/371960084.db2.gz PVNSSIMSDSHVHI-KFZJALRRSA-N 1 3 276.399 3.321 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNCC[C@H]2C)[C@H]1C ZINC000423096729 371961014 /nfs/dbraw/zinc/96/10/14/371961014.db2.gz PRJFZRADYMRADT-OWYFMNJBSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099241 371964115 /nfs/dbraw/zinc/96/41/15/371964115.db2.gz FFXWMODSOIHDST-QWRGUYRKSA-N 1 3 274.861 3.440 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423105227 371967587 /nfs/dbraw/zinc/96/75/87/371967587.db2.gz YRKNLGRMSITJKO-VWXOLTIFSA-N 1 3 284.806 3.383 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423103186 371968013 /nfs/dbraw/zinc/96/80/13/371968013.db2.gz KWVGSHJLCNJTDU-DZGCQCFKSA-N 1 3 291.826 3.012 20 0 CGADHO C[C@@H](NC1CC(c2ccc(F)c(Cl)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423107482 371970265 /nfs/dbraw/zinc/97/02/65/371970265.db2.gz SCQIWDLFYOEMKD-IKMSWONJSA-N 1 3 296.817 3.313 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423106952 371970970 /nfs/dbraw/zinc/97/09/70/371970970.db2.gz RWLUTQMFRAGAFW-NBOOPKSLSA-N 1 3 272.436 3.348 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423115516 371974958 /nfs/dbraw/zinc/97/49/58/371974958.db2.gz YDDJEJAXVVIWKC-BHIYHBOVSA-N 1 3 297.446 3.487 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423125320 371978778 /nfs/dbraw/zinc/97/87/78/371978778.db2.gz QIYCPLNAPXMRNZ-TVFCKZIOSA-N 1 3 288.435 3.014 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423132738 371982473 /nfs/dbraw/zinc/98/24/73/371982473.db2.gz CCEPCQCIEFHQOW-IPMKNSEASA-N 1 3 284.447 3.382 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423133440 371984714 /nfs/dbraw/zinc/98/47/14/371984714.db2.gz KMGRHAYBUSWEOE-ZWJWXYIHSA-N 1 3 284.447 3.300 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCNCC2)c(C)c1 ZINC000423139410 371986342 /nfs/dbraw/zinc/98/63/42/371986342.db2.gz ZVBLYMYWXWUBKI-MRXNPFEDSA-N 1 3 274.452 3.313 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000423139410 371986348 /nfs/dbraw/zinc/98/63/48/371986348.db2.gz ZVBLYMYWXWUBKI-MRXNPFEDSA-N 1 3 274.452 3.313 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000423161618 371995593 /nfs/dbraw/zinc/99/55/93/371995593.db2.gz JJWUKFZIZGHWQQ-RYUDHWBXSA-N 1 3 263.429 3.324 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000423164417 371997682 /nfs/dbraw/zinc/99/76/82/371997682.db2.gz ONFRBEUIVHAUFE-UKRRQHHQSA-N 1 3 250.430 3.101 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000423167817 372000274 /nfs/dbraw/zinc/00/02/74/372000274.db2.gz XHEVFDDWKMXOHR-CHWSQXEVSA-N 1 3 296.405 3.345 20 0 CGADHO [NH3+][C@@H]1C[C@H](N2CCC[C@@]3(CCSC3)C2)c2ccccc21 ZINC000423168193 372000297 /nfs/dbraw/zinc/00/02/97/372000297.db2.gz XOQMNSFIUOSGHF-IXDOHACOSA-N 1 3 288.460 3.350 20 0 CGADHO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423166406 372000320 /nfs/dbraw/zinc/00/03/20/372000320.db2.gz ZDLFCKYWZFAIOE-YUELXQCFSA-N 1 3 275.440 3.326 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@@H]2CCNCC[C@H]2C)c1C ZINC000423081327 371952094 /nfs/dbraw/zinc/95/20/94/371952094.db2.gz CUGVJQJSMDAHAR-NVXWUHKLSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(OCCCN[C@@H]2CC[NH2+]CC[C@H]2C)c1C ZINC000423081327 371952099 /nfs/dbraw/zinc/95/20/99/371952099.db2.gz CUGVJQJSMDAHAR-NVXWUHKLSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(OCCCN[C@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000423080111 371952533 /nfs/dbraw/zinc/95/25/33/371952533.db2.gz BLHNLVVXBGTJLT-IRXDYDNUSA-N 1 3 290.451 3.322 20 0 CGADHO Cc1ccc(C2(CN[C@H]3CCC[C@@H]3[NH3+])CCC2)cc1C ZINC000423088524 371955723 /nfs/dbraw/zinc/95/57/23/371955723.db2.gz QJXPRBSOWDMQKX-IRXDYDNUSA-N 1 3 272.436 3.195 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000423090104 371955785 /nfs/dbraw/zinc/95/57/85/371955785.db2.gz WVNQQFGYDCAVEP-ZLIFDBKOSA-N 1 3 276.399 3.181 20 0 CGADHO CC(C)Sc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000423186546 372015393 /nfs/dbraw/zinc/01/53/93/372015393.db2.gz KIHBDYDESDULAG-LBPRGKRZSA-N 1 3 252.427 3.187 20 0 CGADHO COCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000423190962 372016565 /nfs/dbraw/zinc/01/65/65/372016565.db2.gz SFOWGSUPBOKAPG-NUUXYWTLSA-N 1 3 294.483 3.092 20 0 CGADHO CCCCOc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000423194754 372019658 /nfs/dbraw/zinc/01/96/58/372019658.db2.gz YPKOYLOHWSMUKD-CQSZACIVSA-N 1 3 276.424 3.268 20 0 CGADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423198684 372023857 /nfs/dbraw/zinc/02/38/57/372023857.db2.gz HFRAAZFIPLSSSD-DOTOQJQBSA-N 1 3 290.451 3.404 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000423203053 372026861 /nfs/dbraw/zinc/02/68/61/372026861.db2.gz BUOKBLNPVIPTFK-ZWKOTPCHSA-N 1 3 274.452 3.233 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423211711 372031740 /nfs/dbraw/zinc/03/17/40/372031740.db2.gz LFWSNMGZZMORMF-OWCLPIDISA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CC[NH2+]C[C@H]2C)C2CCC2)cc1 ZINC000423406794 372060930 /nfs/dbraw/zinc/06/09/30/372060930.db2.gz VANBMPRIIPPVGK-FHLIZLRMSA-N 1 3 272.436 3.424 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@H]2CCNC[C@H]2C)C2CCC2)cc1 ZINC000423406794 372060933 /nfs/dbraw/zinc/06/09/33/372060933.db2.gz VANBMPRIIPPVGK-FHLIZLRMSA-N 1 3 272.436 3.424 20 0 CGADHO CCC[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000423220310 372039573 /nfs/dbraw/zinc/03/95/73/372039573.db2.gz XZSJTPDVKFSEKR-WMLDXEAASA-N 1 3 276.424 3.126 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000423279382 372047928 /nfs/dbraw/zinc/04/79/28/372047928.db2.gz SHIBLCGVYBLDLM-XIRDDKMYSA-N 1 3 260.425 3.158 20 0 CGADHO Cc1cc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000158266046 372061767 /nfs/dbraw/zinc/06/17/67/372061767.db2.gz LRNPVKLQOUKFDH-LSDHHAIUSA-N 1 3 278.415 3.435 20 0 CGADHO Cc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158266046 372061773 /nfs/dbraw/zinc/06/17/73/372061773.db2.gz LRNPVKLQOUKFDH-LSDHHAIUSA-N 1 3 278.415 3.435 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2N[C@H]2CCC[NH2+]C2)cc1 ZINC000423300776 372049579 /nfs/dbraw/zinc/04/95/79/372049579.db2.gz FNNIAGFMGJRZDI-GVDBMIGSSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423297929 372049623 /nfs/dbraw/zinc/04/96/23/372049623.db2.gz MLVILKONXSDLDF-WBMJQRKESA-N 1 3 264.388 3.241 20 0 CGADHO CCc1nc2c(s1)[C@H](NC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000158180479 372057876 /nfs/dbraw/zinc/05/78/76/372057876.db2.gz RGJVYERGSRAJMI-QWHCGFSZSA-N 1 3 293.480 3.014 20 0 CGADHO CCc1nc2c(s1)[C@H](NC[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000158180479 372057880 /nfs/dbraw/zinc/05/78/80/372057880.db2.gz RGJVYERGSRAJMI-QWHCGFSZSA-N 1 3 293.480 3.014 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CN)c2ccccc12 ZINC000423173598 372004478 /nfs/dbraw/zinc/00/44/78/372004478.db2.gz ZHJVQDXMRGGFJO-RDTXWAMCSA-N 1 3 268.404 3.365 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc12 ZINC000423173598 372004485 /nfs/dbraw/zinc/00/44/85/372004485.db2.gz ZHJVQDXMRGGFJO-RDTXWAMCSA-N 1 3 268.404 3.365 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000423179279 372009454 /nfs/dbraw/zinc/00/94/54/372009454.db2.gz LQFGFQHLQCJUIA-OAHLLOKOSA-N 1 3 298.434 3.185 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1ccccc1C(C)(C)C ZINC000423183594 372011000 /nfs/dbraw/zinc/01/10/00/372011000.db2.gz LFDVKGUSNWYILC-CYBMUJFWSA-N 1 3 260.425 3.387 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000159973710 372200800 /nfs/dbraw/zinc/20/08/00/372200800.db2.gz MDNCYCABCKXXLX-ZLKJLUDKSA-N 1 3 252.789 3.261 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(Cc3cccc4ccccc43)C2)C1 ZINC000428998691 372301923 /nfs/dbraw/zinc/30/19/23/372301923.db2.gz DEYHPLIIQCRRHD-IBGZPJMESA-N 1 3 280.415 3.367 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(Cc3cccc4ccccc43)C2)C1 ZINC000428998691 372301926 /nfs/dbraw/zinc/30/19/26/372301926.db2.gz DEYHPLIIQCRRHD-IBGZPJMESA-N 1 3 280.415 3.367 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000429530568 372373894 /nfs/dbraw/zinc/37/38/94/372373894.db2.gz SQKDMFCNNBLEGV-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000429530568 372373899 /nfs/dbraw/zinc/37/38/99/372373899.db2.gz SQKDMFCNNBLEGV-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO Cc1sccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000293443012 372384493 /nfs/dbraw/zinc/38/44/93/372384493.db2.gz BZOTWANXUDENKP-GOOCMWNKSA-N 1 3 264.438 3.161 20 0 CGADHO Cc1sccc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000293443012 372384497 /nfs/dbraw/zinc/38/44/97/372384497.db2.gz BZOTWANXUDENKP-GOOCMWNKSA-N 1 3 264.438 3.161 20 0 CGADHO Cc1sccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000293443012 372384504 /nfs/dbraw/zinc/38/45/04/372384504.db2.gz BZOTWANXUDENKP-GOOCMWNKSA-N 1 3 264.438 3.161 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431025985 372418247 /nfs/dbraw/zinc/41/82/47/372418247.db2.gz VJKOXLJHQUHKCO-ZDUSSCGKSA-N 1 3 278.827 3.477 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163487902 372473077 /nfs/dbraw/zinc/47/30/77/372473077.db2.gz MNBFTEZNVQLQNR-DYEKYZERSA-N 1 3 298.377 3.266 20 0 CGADHO CCCC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000162857379 372428884 /nfs/dbraw/zinc/42/88/84/372428884.db2.gz SMOHHQODRKQEIR-ARFHVFGLSA-N 1 3 270.461 3.044 20 0 CGADHO Cc1cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cs1 ZINC000294083543 372575516 /nfs/dbraw/zinc/57/55/16/372575516.db2.gz ALQSNPUXOGCQJC-LBPRGKRZSA-N 1 3 254.443 3.295 20 0 CGADHO c1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000294118264 372586242 /nfs/dbraw/zinc/58/62/42/372586242.db2.gz KLZBDCJOIBKKLF-OTWHNJEPSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000294118264 372586248 /nfs/dbraw/zinc/58/62/48/372586248.db2.gz KLZBDCJOIBKKLF-OTWHNJEPSA-N 1 3 284.447 3.397 20 0 CGADHO CCN(CCSc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626389 372787237 /nfs/dbraw/zinc/78/72/37/372787237.db2.gz OGARCHMSBMRVCH-OAHLLOKOSA-N 1 3 278.465 3.243 20 0 CGADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000296458359 373140644 /nfs/dbraw/zinc/14/06/44/373140644.db2.gz NCBAASGWWMRHKP-LTTJGMOWSA-N 1 3 270.420 3.450 20 0 CGADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000296458359 373140650 /nfs/dbraw/zinc/14/06/50/373140650.db2.gz NCBAASGWWMRHKP-LTTJGMOWSA-N 1 3 270.420 3.450 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2c1 ZINC000174515206 373331602 /nfs/dbraw/zinc/33/16/02/373331602.db2.gz ZTTLCTXGUUDIQL-KBXCAEBGSA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000174515206 373331606 /nfs/dbraw/zinc/33/16/06/373331606.db2.gz ZTTLCTXGUUDIQL-KBXCAEBGSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@H](CCCCO)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449430092 373706689 /nfs/dbraw/zinc/70/66/89/373706689.db2.gz WHOKBVQVGQWRGS-JFIYKMOQSA-N 1 3 296.499 3.170 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000178411000 373774000 /nfs/dbraw/zinc/77/40/00/373774000.db2.gz VGSKIWNXUSEUEB-CQSZACIVSA-N 1 3 293.480 3.295 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449477864 373765422 /nfs/dbraw/zinc/76/54/22/373765422.db2.gz QJHMWEAGHTVLQO-KBAYOESNSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)OC ZINC000449477864 373765429 /nfs/dbraw/zinc/76/54/29/373765429.db2.gz QJHMWEAGHTVLQO-KBAYOESNSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)n1cc(CN2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000179948691 373944985 /nfs/dbraw/zinc/94/49/85/373944985.db2.gz ZXNAWNZTSQRLBR-UHFFFAOYSA-N 1 3 292.471 3.018 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](CC)c1ccccc1F ZINC000180735952 374041230 /nfs/dbraw/zinc/04/12/30/374041230.db2.gz MEENXSDUEZRMNG-YOEHRIQHSA-N 1 3 296.430 3.223 20 0 CGADHO CC[C@H](C)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000181122043 374083020 /nfs/dbraw/zinc/08/30/20/374083020.db2.gz RQSNDNGVOCDJAJ-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430497 374123221 /nfs/dbraw/zinc/12/32/21/374123221.db2.gz SELKPGHPLPQVIB-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430497 374123226 /nfs/dbraw/zinc/12/32/26/374123226.db2.gz SELKPGHPLPQVIB-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450462537 374145694 /nfs/dbraw/zinc/14/56/94/374145694.db2.gz HEXJMMLWLJIHHX-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450462537 374145703 /nfs/dbraw/zinc/14/57/03/374145703.db2.gz HEXJMMLWLJIHHX-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462537 374145708 /nfs/dbraw/zinc/14/57/08/374145708.db2.gz HEXJMMLWLJIHHX-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450462537 374145719 /nfs/dbraw/zinc/14/57/19/374145719.db2.gz HEXJMMLWLJIHHX-HUUCEWRRSA-N 1 3 288.426 3.476 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000181880607 374185761 /nfs/dbraw/zinc/18/57/61/374185761.db2.gz MLFXMQDZHBHVGU-AWEZNQCLSA-N 1 3 280.843 3.156 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000181880607 374185775 /nfs/dbraw/zinc/18/57/75/374185775.db2.gz MLFXMQDZHBHVGU-AWEZNQCLSA-N 1 3 280.843 3.156 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@@H+]2CC[C@@](C)(CN)C2)c(C)c1 ZINC000311573074 374247217 /nfs/dbraw/zinc/24/72/17/374247217.db2.gz AWZQCVGAAYNTDR-RDJZCZTQSA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@](C)(CN)C2)c(C)c1 ZINC000311573074 374247222 /nfs/dbraw/zinc/24/72/22/374247222.db2.gz AWZQCVGAAYNTDR-RDJZCZTQSA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc(C)c([C@@H](C)[N@@H+]2CC[C@](C)(CN)C2)c(C)c1 ZINC000311573073 374247384 /nfs/dbraw/zinc/24/73/84/374247384.db2.gz AWZQCVGAAYNTDR-NVXWUHKLSA-N 1 3 260.425 3.344 20 0 CGADHO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@](C)(CN)C2)c(C)c1 ZINC000311573073 374247389 /nfs/dbraw/zinc/24/73/89/374247389.db2.gz AWZQCVGAAYNTDR-NVXWUHKLSA-N 1 3 260.425 3.344 20 0 CGADHO CC[C@@H](C)[C@H](C)NCC1(C[NH2+][C@@H](C)[C@@H](C)CC)COC1 ZINC000183064217 374365357 /nfs/dbraw/zinc/36/53/57/374365357.db2.gz XLUGZRQRZGWLSR-FZKCQIBNSA-N 1 3 284.488 3.051 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH2+]CC1(CN[C@@H](C)[C@@H](C)CC)COC1 ZINC000183064217 374365363 /nfs/dbraw/zinc/36/53/63/374365363.db2.gz XLUGZRQRZGWLSR-FZKCQIBNSA-N 1 3 284.488 3.051 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453304215 374406431 /nfs/dbraw/zinc/40/64/31/374406431.db2.gz FMKAKDNHUSBPEX-UXLLHSPISA-N 1 3 290.451 3.324 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183387116 374409810 /nfs/dbraw/zinc/40/98/10/374409810.db2.gz TYLNHFDHVPGMSW-MSOLQXFVSA-N 1 3 272.436 3.082 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250859717 189967890 /nfs/dbraw/zinc/96/78/90/189967890.db2.gz AZTJXRFTXXUDEU-BFHYXJOUSA-N 1 3 264.438 3.067 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000090858983 541965040 /nfs/dbraw/zinc/96/50/40/541965040.db2.gz ICVJVVBFOCLUIF-ROUUACIJSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000090858983 541965043 /nfs/dbraw/zinc/96/50/43/541965043.db2.gz ICVJVVBFOCLUIF-ROUUACIJSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]([N@H+](C)Cc1ccc(OCCN(C)C)cc1)C1(C)CC1 ZINC000091900305 541971653 /nfs/dbraw/zinc/97/16/53/541971653.db2.gz LMNSJPKJQWTSTP-OAHLLOKOSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]([N@@H+](C)Cc1ccc(OCCN(C)C)cc1)C1(C)CC1 ZINC000091900305 541971657 /nfs/dbraw/zinc/97/16/57/541971657.db2.gz LMNSJPKJQWTSTP-OAHLLOKOSA-N 1 3 290.451 3.247 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000474797464 375127017 /nfs/dbraw/zinc/12/70/17/375127017.db2.gz SIMMBQJEAQESTB-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]1CN(Cc2ccc3nc(C)ccc3c2)CC[C@@H]1[NH3+] ZINC000097862685 541995190 /nfs/dbraw/zinc/99/51/90/541995190.db2.gz CXEXDYYURLASDV-RDJZCZTQSA-N 1 3 283.419 3.102 20 0 CGADHO CC1(CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000335570517 375331473 /nfs/dbraw/zinc/33/14/73/375331473.db2.gz VWCAFBRASUPIPY-LBPRGKRZSA-N 1 3 298.352 3.071 20 0 CGADHO Cc1ccc2[nH]c(C[NH2+]C[C@@H](C)CN(C)C)cc2c1C ZINC000491594145 375336953 /nfs/dbraw/zinc/33/69/53/375336953.db2.gz NDGMZBVRVZYQCR-GFCCVEGCSA-N 1 3 273.424 3.072 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@H]1C ZINC000494905230 375493499 /nfs/dbraw/zinc/49/34/99/375493499.db2.gz BAYLZFWOMZYTEU-JKIFEVAISA-N 1 3 264.457 3.275 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119309 375700581 /nfs/dbraw/zinc/70/05/81/375700581.db2.gz BPFVSVHUDSEWON-SJORKVTESA-N 1 3 294.483 3.284 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119309 375700587 /nfs/dbraw/zinc/70/05/87/375700587.db2.gz BPFVSVHUDSEWON-SJORKVTESA-N 1 3 294.483 3.284 20 0 CGADHO CC[C@@H](C)C[N@H+](CC)Cc1cccc2c1CCNC2 ZINC000123999368 542030304 /nfs/dbraw/zinc/03/03/04/542030304.db2.gz JHNITIMIALTKDN-CQSZACIVSA-N 1 3 260.425 3.200 20 0 CGADHO CC[C@@H](C)C[N@@H+](CC)Cc1cccc2c1CCNC2 ZINC000123999368 542030307 /nfs/dbraw/zinc/03/03/07/542030307.db2.gz JHNITIMIALTKDN-CQSZACIVSA-N 1 3 260.425 3.200 20 0 CGADHO CC(C)C[N@H+](Cc1cccc2c1CCNC2)C(C)C ZINC000123939594 542030571 /nfs/dbraw/zinc/03/05/71/542030571.db2.gz BBGCOHHJDIPJPF-UHFFFAOYSA-N 1 3 260.425 3.199 20 0 CGADHO CC(C)C[N@@H+](Cc1cccc2c1CCNC2)C(C)C ZINC000123939594 542030574 /nfs/dbraw/zinc/03/05/74/542030574.db2.gz BBGCOHHJDIPJPF-UHFFFAOYSA-N 1 3 260.425 3.199 20 0 CGADHO CC(CN1CCCC1(C)C)C[N@@H+]1CCCC1(C)C ZINC000516893226 375823515 /nfs/dbraw/zinc/82/35/15/375823515.db2.gz ZJILNPMPFINWOF-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(CN1CCCC1(C)C)C[N@H+]1CCCC1(C)C ZINC000516893226 375823521 /nfs/dbraw/zinc/82/35/21/375823521.db2.gz ZJILNPMPFINWOF-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)OCc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000520564842 375864511 /nfs/dbraw/zinc/86/45/11/375864511.db2.gz DDVCHNGNQWSTBL-QZTJIDSGSA-N 1 3 290.451 3.361 20 0 CGADHO CC(C)(C)C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000336616976 375879207 /nfs/dbraw/zinc/87/92/07/375879207.db2.gz HJQGBNBJHHBRGV-OOJKYFRXSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000336616976 375879214 /nfs/dbraw/zinc/87/92/14/375879214.db2.gz HJQGBNBJHHBRGV-OOJKYFRXSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C1CC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000336616976 375879220 /nfs/dbraw/zinc/87/92/20/375879220.db2.gz HJQGBNBJHHBRGV-OOJKYFRXSA-N 1 3 250.430 3.028 20 0 CGADHO CSC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000193826955 375927492 /nfs/dbraw/zinc/92/74/92/375927492.db2.gz DXYJPGGORSPGGL-UHFFFAOYSA-N 1 3 282.497 3.269 20 0 CGADHO CSC1(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000193826955 375927497 /nfs/dbraw/zinc/92/74/97/375927497.db2.gz DXYJPGGORSPGGL-UHFFFAOYSA-N 1 3 282.497 3.269 20 0 CGADHO c1sc2ccccc2c1CNCCC[NH+]1CCC1 ZINC000535047625 376016933 /nfs/dbraw/zinc/01/69/33/376016933.db2.gz QFFMTFWLSHTNTD-UHFFFAOYSA-N 1 3 260.406 3.087 20 0 CGADHO C1CCC2(C1)CCC[C@H]2[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000336886060 376018578 /nfs/dbraw/zinc/01/85/78/376018578.db2.gz BJBQPURLGJEFNP-ARFHVFGLSA-N 1 3 262.441 3.316 20 0 CGADHO CC[C@H](Cc1ccccc1)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000535468153 376038418 /nfs/dbraw/zinc/03/84/18/376038418.db2.gz HTYNGEXWEJWRDY-MSOLQXFVSA-N 1 3 274.452 3.424 20 0 CGADHO CC[C@H](Cc1ccccc1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000535468153 376038424 /nfs/dbraw/zinc/03/84/24/376038424.db2.gz HTYNGEXWEJWRDY-MSOLQXFVSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1cccc2ccccc21 ZINC000536879593 376141588 /nfs/dbraw/zinc/14/15/88/376141588.db2.gz XGBSTUNFEDFERW-YJBOKZPZSA-N 1 3 298.430 3.148 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1cccc2ccccc21 ZINC000536879593 376141593 /nfs/dbraw/zinc/14/15/93/376141593.db2.gz XGBSTUNFEDFERW-YJBOKZPZSA-N 1 3 298.430 3.148 20 0 CGADHO COc1ccc2cc(CN3C[C@H](C[NH3+])C[C@@H]3C)ccc2c1 ZINC000215977223 376155441 /nfs/dbraw/zinc/15/54/41/376155441.db2.gz DKIPQNIHRMVCEG-ZFWWWQNUSA-N 1 3 284.403 3.018 20 0 CGADHO CCC[NH+]1CCC(Nc2ccc(C)cc2CN(C)C)CC1 ZINC000132320526 542075440 /nfs/dbraw/zinc/07/54/40/542075440.db2.gz DHKSQNZCYUXSGG-UHFFFAOYSA-N 1 3 289.467 3.343 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C2(CC)CC)C1 ZINC000537296790 376160341 /nfs/dbraw/zinc/16/03/41/376160341.db2.gz ZZIQGQNJPLUODU-ZACQAIPSSA-N 1 3 296.499 3.292 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000537294555 376161464 /nfs/dbraw/zinc/16/14/64/376161464.db2.gz FBAQPGDDMCCMTG-BRWVUGGUSA-N 1 3 296.499 3.148 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCC12CCC2)N1CCCCC1 ZINC000337364029 376215824 /nfs/dbraw/zinc/21/58/24/376215824.db2.gz ANEDZRYGQDJVGI-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCCNC1 ZINC000226436232 376359779 /nfs/dbraw/zinc/35/97/79/376359779.db2.gz PSRCWPGJXGSCDW-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H]1CCCNC1 ZINC000226436232 376359781 /nfs/dbraw/zinc/35/97/81/376359781.db2.gz PSRCWPGJXGSCDW-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](c1ccccc1)N(CC)C[C@@H]1CCC[NH2+]C1 ZINC000226436232 376359782 /nfs/dbraw/zinc/35/97/82/376359782.db2.gz PSRCWPGJXGSCDW-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CCCC(CCC)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000540173472 376363130 /nfs/dbraw/zinc/36/31/30/376363130.db2.gz GCWNUIAWCJHBFL-HZPDHXFCSA-N 1 3 284.488 3.434 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCC)C2)C1(C)C ZINC000540597301 376384123 /nfs/dbraw/zinc/38/41/23/376384123.db2.gz LDLPINMBNDAJAR-GVDBMIGSSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)[NH+]1CCC(N(C)[C@@H](C)Cc2ccsc2)CC1 ZINC000541202639 376426735 /nfs/dbraw/zinc/42/67/35/376426735.db2.gz HUCDXNHUVSKUSB-AWEZNQCLSA-N 1 3 280.481 3.484 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000227496100 376395983 /nfs/dbraw/zinc/39/59/83/376395983.db2.gz QNXFSCUVUWLEST-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO C1=C(CC[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000228587513 376444003 /nfs/dbraw/zinc/44/40/03/376444003.db2.gz VDLDYCBGTKBFGG-UHFFFAOYSA-N 1 3 271.408 3.140 20 0 CGADHO C[C@@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000541602934 376466005 /nfs/dbraw/zinc/46/60/05/376466005.db2.gz DJNYPEKVENBGPZ-AVGNSLFASA-N 1 3 292.389 3.427 20 0 CGADHO C[C@@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(F)(F)F ZINC000541602934 376466014 /nfs/dbraw/zinc/46/60/14/376466014.db2.gz DJNYPEKVENBGPZ-AVGNSLFASA-N 1 3 292.389 3.427 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000541602934 376466020 /nfs/dbraw/zinc/46/60/20/376466020.db2.gz DJNYPEKVENBGPZ-AVGNSLFASA-N 1 3 292.389 3.427 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)CN1CCCCC1 ZINC000229640527 376467391 /nfs/dbraw/zinc/46/73/91/376467391.db2.gz BYUDTKXLMVYHDD-OAHLLOKOSA-N 1 3 285.435 3.380 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000230047694 376482197 /nfs/dbraw/zinc/48/21/97/376482197.db2.gz DIFAGWRYTWNVEK-VHDGCEQUSA-N 1 3 298.352 3.265 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338778919 376528792 /nfs/dbraw/zinc/52/87/92/376528792.db2.gz FUGYJKGNHYYSNU-CVEARBPZSA-N 1 3 264.457 3.418 20 0 CGADHO CCN(CC)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442649917 284603941 /nfs/dbraw/zinc/60/39/41/284603941.db2.gz OJXSVPNKPKEPHB-UHFFFAOYSA-N 1 3 262.388 3.132 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000245878604 376925281 /nfs/dbraw/zinc/92/52/81/376925281.db2.gz KLQHBTSBRGGRDZ-GVDBMIGSSA-N 1 3 296.499 3.289 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420206 377027593 /nfs/dbraw/zinc/02/75/93/377027593.db2.gz IGIOJJDBFZJUHI-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420206 377027603 /nfs/dbraw/zinc/02/76/03/377027603.db2.gz IGIOJJDBFZJUHI-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420206 377027614 /nfs/dbraw/zinc/02/76/14/377027614.db2.gz IGIOJJDBFZJUHI-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420216 377029052 /nfs/dbraw/zinc/02/90/52/377029052.db2.gz IGIOJJDBFZJUHI-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420216 377029060 /nfs/dbraw/zinc/02/90/60/377029060.db2.gz IGIOJJDBFZJUHI-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccc(C)cc32)C1 ZINC000246420216 377029065 /nfs/dbraw/zinc/02/90/65/377029065.db2.gz IGIOJJDBFZJUHI-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H](F)CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000340458618 377072789 /nfs/dbraw/zinc/07/27/89/377072789.db2.gz BIMCFDGPLBTLFQ-ZIAGYGMSSA-N 1 3 282.403 3.026 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000246970721 377129806 /nfs/dbraw/zinc/12/98/06/377129806.db2.gz JDNJSZLEVIXGJL-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2cccc3cccnc32)[C@@H](C)C1 ZINC000247184056 377171914 /nfs/dbraw/zinc/17/19/14/377171914.db2.gz SIQNWLJEWSGOQF-YOEHRIQHSA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2cccc3cccnc32)[C@@H](C)C1 ZINC000247184056 377171919 /nfs/dbraw/zinc/17/19/19/377171919.db2.gz SIQNWLJEWSGOQF-YOEHRIQHSA-N 1 3 283.419 3.055 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000560559568 377173785 /nfs/dbraw/zinc/17/37/85/377173785.db2.gz YOTNTYQISADXGU-JHNDHUHGSA-N 1 3 264.457 3.418 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000247240662 377184459 /nfs/dbraw/zinc/18/44/59/377184459.db2.gz YYBQYYVSKDYHIU-KBPBESRZSA-N 1 3 293.480 3.150 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000562019662 377267212 /nfs/dbraw/zinc/26/72/12/377267212.db2.gz NVWZIDSMIWOJMT-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247983898 377251830 /nfs/dbraw/zinc/25/18/30/377251830.db2.gz IQQKWOYMQXWLAJ-KMFMINBZSA-N 1 3 276.399 3.303 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247983898 377251839 /nfs/dbraw/zinc/25/18/39/377251839.db2.gz IQQKWOYMQXWLAJ-KMFMINBZSA-N 1 3 276.399 3.303 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248155180 377272307 /nfs/dbraw/zinc/27/23/07/377272307.db2.gz RHQDHZSOXILJPM-PVAVHDDUSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248155180 377272310 /nfs/dbraw/zinc/27/23/10/377272310.db2.gz RHQDHZSOXILJPM-PVAVHDDUSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248155180 377272314 /nfs/dbraw/zinc/27/23/14/377272314.db2.gz RHQDHZSOXILJPM-PVAVHDDUSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248155180 377272318 /nfs/dbraw/zinc/27/23/18/377272318.db2.gz RHQDHZSOXILJPM-PVAVHDDUSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000248179051 377276727 /nfs/dbraw/zinc/27/67/27/377276727.db2.gz WBUPKVAAZFBCIZ-BPQIPLTHSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000248179051 377276729 /nfs/dbraw/zinc/27/67/29/377276729.db2.gz WBUPKVAAZFBCIZ-BPQIPLTHSA-N 1 3 272.436 3.206 20 0 CGADHO CCCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248402114 377308990 /nfs/dbraw/zinc/30/89/90/377308990.db2.gz MSMDXHSXOVDRHZ-YESZJQIVSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402114 377308994 /nfs/dbraw/zinc/30/89/94/377308994.db2.gz MSMDXHSXOVDRHZ-YESZJQIVSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@H](COC)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402114 377309000 /nfs/dbraw/zinc/30/90/00/377309000.db2.gz MSMDXHSXOVDRHZ-YESZJQIVSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249714127 377523675 /nfs/dbraw/zinc/52/36/75/377523675.db2.gz HCMARDYPQODIDQ-OBMMGQTPSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249714127 377523684 /nfs/dbraw/zinc/52/36/84/377523684.db2.gz HCMARDYPQODIDQ-OBMMGQTPSA-N 1 3 250.430 3.006 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649081 249003211 /nfs/dbraw/zinc/00/32/11/249003211.db2.gz VWKGOVFTEDGLHF-JSGCOSHPSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649081 249003212 /nfs/dbraw/zinc/00/32/12/249003212.db2.gz VWKGOVFTEDGLHF-JSGCOSHPSA-N 1 3 264.438 3.273 20 0 CGADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000313230893 249089023 /nfs/dbraw/zinc/08/90/23/249089023.db2.gz SNUXTDAHJGTBQI-FPMFFAJLSA-N 1 3 296.817 3.472 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOCC1CCCC1 ZINC000313272766 249089827 /nfs/dbraw/zinc/08/98/27/249089827.db2.gz RCCAWXCZEKUKHX-DOTOQJQBSA-N 1 3 282.472 3.094 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@H]3CCCC[C@@H]3CN)c[nH]c21 ZINC000422907955 249127186 /nfs/dbraw/zinc/12/71/86/249127186.db2.gz CKRMNNPRIDHCAQ-QAPCUYQASA-N 1 3 299.462 3.380 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422906817 249127373 /nfs/dbraw/zinc/12/73/73/249127373.db2.gz VUMSSLTZHJXJCY-NVXWUHKLSA-N 1 3 272.436 3.134 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422904448 249127694 /nfs/dbraw/zinc/12/76/94/249127694.db2.gz QATNTQHBJAFEFF-FZMZJTMJSA-N 1 3 276.355 3.097 20 0 CGADHO C[C@@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477717 249168061 /nfs/dbraw/zinc/16/80/61/249168061.db2.gz QUDKKKPVUTTXRY-WMZOPIPTSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477717 249168064 /nfs/dbraw/zinc/16/80/64/249168064.db2.gz QUDKKKPVUTTXRY-WMZOPIPTSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477717 249168067 /nfs/dbraw/zinc/16/80/67/249168067.db2.gz QUDKKKPVUTTXRY-WMZOPIPTSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477717 249168070 /nfs/dbraw/zinc/16/80/70/249168070.db2.gz QUDKKKPVUTTXRY-WMZOPIPTSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251424112 377582698 /nfs/dbraw/zinc/58/26/98/377582698.db2.gz HUYFFULLRLBEAO-SCRDCRAPSA-N 1 3 298.377 3.408 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000251690874 377595128 /nfs/dbraw/zinc/59/51/28/377595128.db2.gz AUXYUDVOQPNKPQ-IBEHDNSVSA-N 1 3 252.446 3.307 20 0 CGADHO C[C@@H]1CCC[C@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859879 377600152 /nfs/dbraw/zinc/60/01/52/377600152.db2.gz PTMSPQZMIRBYLN-AFLMIKJESA-N 1 3 250.430 3.028 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574066892 377613862 /nfs/dbraw/zinc/61/38/62/377613862.db2.gz XAEQCCXYTFCUGC-ZBFHGGJFSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574066892 377613869 /nfs/dbraw/zinc/61/38/69/377613869.db2.gz XAEQCCXYTFCUGC-ZBFHGGJFSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@]1(CN2CC[C@@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681798 377840271 /nfs/dbraw/zinc/84/02/71/377840271.db2.gz AHOMJCLNZLWRNG-NVXWUHKLSA-N 1 3 290.476 3.100 20 0 CGADHO Fc1ccc([C@H]2CCC[N@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000261922957 377867607 /nfs/dbraw/zinc/86/76/07/377867607.db2.gz KSDMTMMCYWXYNZ-CVEARBPZSA-N 1 3 290.426 3.395 20 0 CGADHO Fc1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000261922957 377867609 /nfs/dbraw/zinc/86/76/09/377867609.db2.gz KSDMTMMCYWXYNZ-CVEARBPZSA-N 1 3 290.426 3.395 20 0 CGADHO Cc1ccc(-c2cc(CN3CCC[C@H](CC[NH3+])C3)on2)cc1 ZINC000261996619 377878651 /nfs/dbraw/zinc/87/86/51/377878651.db2.gz UPDPUEREOFLKPS-OAHLLOKOSA-N 1 3 299.418 3.211 20 0 CGADHO CCO[C@@H]1C[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033410 377882966 /nfs/dbraw/zinc/88/29/66/377882966.db2.gz OGZZFUWLTOEPDZ-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CCCN(CCc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000262050784 377884506 /nfs/dbraw/zinc/88/45/06/377884506.db2.gz QEHKBXNIDPNAHW-HNNXBMFYSA-N 1 3 266.454 3.002 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000262117696 377888101 /nfs/dbraw/zinc/88/81/01/377888101.db2.gz KIEUEACCZNHYLJ-WBAXXEDZSA-N 1 3 295.430 3.102 20 0 CGADHO C[C@@]1(CN2CCC[C@@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146761 377889693 /nfs/dbraw/zinc/88/96/93/377889693.db2.gz ZPGLVIPAUQZZKP-QZTJIDSGSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@]1(CN2CCC[C@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146748 377890452 /nfs/dbraw/zinc/89/04/52/377890452.db2.gz ZPGLVIPAUQZZKP-MSOLQXFVSA-N 1 3 272.436 3.040 20 0 CGADHO Cc1nc2ccc(CN3CCC([C@H](C)[NH3+])CC3)cc2s1 ZINC000261753376 377849313 /nfs/dbraw/zinc/84/93/13/377849313.db2.gz CHCZOBFAMPHJFO-NSHDSACASA-N 1 3 289.448 3.164 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC000268849362 378130478 /nfs/dbraw/zinc/13/04/78/378130478.db2.gz PMAYDWQDAUHSEV-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000578738382 378096333 /nfs/dbraw/zinc/09/63/33/378096333.db2.gz PHAWIEJPRIXNBZ-BHYGNILZSA-N 1 3 260.425 3.156 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)[C@@H](C)OC)c1 ZINC000268757691 378103464 /nfs/dbraw/zinc/10/34/64/378103464.db2.gz FUJMTMZTSAGCJW-HUUCEWRRSA-N 1 3 278.440 3.041 20 0 CGADHO CCN(CCCOc1ccccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345206157 378222897 /nfs/dbraw/zinc/22/28/97/378222897.db2.gz OPQIQXJMAGCJCI-KRWDZBQOSA-N 1 3 290.451 3.228 20 0 CGADHO CC[N@H+](CCCOc1ccccc1C)[C@H]1CCCNCC1 ZINC000345206157 378222899 /nfs/dbraw/zinc/22/28/99/378222899.db2.gz OPQIQXJMAGCJCI-KRWDZBQOSA-N 1 3 290.451 3.228 20 0 CGADHO CC[N@@H+](CCCOc1ccccc1C)[C@H]1CCCNCC1 ZINC000345206157 378222902 /nfs/dbraw/zinc/22/29/02/378222902.db2.gz OPQIQXJMAGCJCI-KRWDZBQOSA-N 1 3 290.451 3.228 20 0 CGADHO CC[C@@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000345178734 378214551 /nfs/dbraw/zinc/21/45/51/378214551.db2.gz VEGLZXCPGQYGHQ-INIZCTEOSA-N 1 3 258.409 3.032 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346652734 378662755 /nfs/dbraw/zinc/66/27/55/378662755.db2.gz HXVHCTLQULUKIY-CHWSQXEVSA-N 1 3 272.392 3.164 20 0 CGADHO [NH3+]CC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000346673241 378671709 /nfs/dbraw/zinc/67/17/09/378671709.db2.gz WGTJECWSYQUGSS-UHFFFAOYSA-N 1 3 293.461 3.042 20 0 CGADHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1ccccc1F ZINC000272694474 378690356 /nfs/dbraw/zinc/69/03/56/378690356.db2.gz XOMIAFDJVGCIPQ-INIZCTEOSA-N 1 3 262.372 3.128 20 0 CGADHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1ccccc1F ZINC000272694474 378690361 /nfs/dbraw/zinc/69/03/61/378690361.db2.gz XOMIAFDJVGCIPQ-INIZCTEOSA-N 1 3 262.372 3.128 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346833856 378692481 /nfs/dbraw/zinc/69/24/81/378692481.db2.gz MRVALYQGEBMEDZ-QGZVFWFLSA-N 1 3 260.425 3.144 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346833856 378692488 /nfs/dbraw/zinc/69/24/88/378692488.db2.gz MRVALYQGEBMEDZ-QGZVFWFLSA-N 1 3 260.425 3.144 20 0 CGADHO CC(C)CN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346833856 378692495 /nfs/dbraw/zinc/69/24/95/378692495.db2.gz MRVALYQGEBMEDZ-QGZVFWFLSA-N 1 3 260.425 3.144 20 0 CGADHO C(C1CC1)[N@H+](C[C@@H]1CCCNC1)C1CCCCC1 ZINC000346848729 378695154 /nfs/dbraw/zinc/69/51/54/378695154.db2.gz QPSPAIYRXAPDDL-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CC1)[N@@H+](C[C@@H]1CCCNC1)C1CCCCC1 ZINC000346848729 378695157 /nfs/dbraw/zinc/69/51/57/378695157.db2.gz QPSPAIYRXAPDDL-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2(C(C)C)CC2)C1 ZINC000638128597 378710545 /nfs/dbraw/zinc/71/05/45/378710545.db2.gz UZDUYBJMQCQNQP-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638128597 378710548 /nfs/dbraw/zinc/71/05/48/378710548.db2.gz UZDUYBJMQCQNQP-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CC2(C(C)C)CC2)C1 ZINC000638128597 378710556 /nfs/dbraw/zinc/71/05/56/378710556.db2.gz UZDUYBJMQCQNQP-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2(C(C)C)CC2)C1 ZINC000638128597 378710561 /nfs/dbraw/zinc/71/05/61/378710561.db2.gz UZDUYBJMQCQNQP-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133958 378713478 /nfs/dbraw/zinc/71/34/78/378713478.db2.gz MBEIVSOWFYUKNB-INIZCTEOSA-N 1 3 290.451 3.118 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638133958 378713483 /nfs/dbraw/zinc/71/34/83/378713483.db2.gz MBEIVSOWFYUKNB-INIZCTEOSA-N 1 3 290.451 3.118 20 0 CGADHO Cc1ccncc1CCC[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000347925778 378731837 /nfs/dbraw/zinc/73/18/37/378731837.db2.gz RVKIVQLOIMISGP-UHFFFAOYSA-N 1 3 297.446 3.174 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348249175 378864190 /nfs/dbraw/zinc/86/41/90/378864190.db2.gz UTMVYOBHTQCNKS-IRXDYDNUSA-N 1 3 260.425 3.110 20 0 CGADHO CCC[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)OC ZINC000638968495 378961706 /nfs/dbraw/zinc/96/17/06/378961706.db2.gz AXEXMBOZDQBPLX-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638968495 378961712 /nfs/dbraw/zinc/96/17/12/378961712.db2.gz AXEXMBOZDQBPLX-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968495 378961718 /nfs/dbraw/zinc/96/17/18/378961718.db2.gz AXEXMBOZDQBPLX-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000347097755 218121734 /nfs/dbraw/zinc/12/17/34/218121734.db2.gz JYEBOEYGSFMTNR-UHFFFAOYSA-N 1 3 276.355 3.003 20 0 CGADHO Cc1cc(C[N@@H+](C)C2CCNCC2)cc(C)c1OC(F)F ZINC000347109935 218124217 /nfs/dbraw/zinc/12/42/17/218124217.db2.gz PRZFPBAPCULZAZ-UHFFFAOYSA-N 1 3 298.377 3.089 20 0 CGADHO Cc1cc(C[N@H+](C)C2CCNCC2)cc(C)c1OC(F)F ZINC000347109935 218124219 /nfs/dbraw/zinc/12/42/19/218124219.db2.gz PRZFPBAPCULZAZ-UHFFFAOYSA-N 1 3 298.377 3.089 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370671712 379049824 /nfs/dbraw/zinc/04/98/24/379049824.db2.gz WWFHHOQODRXWLJ-MGPQQGTHSA-N 1 3 270.486 3.123 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370671712 379049833 /nfs/dbraw/zinc/04/98/33/379049833.db2.gz WWFHHOQODRXWLJ-MGPQQGTHSA-N 1 3 270.486 3.123 20 0 CGADHO Cc1cc(Br)ccc1C[N@@H+](C)CCCN(C)C ZINC000348919794 379112706 /nfs/dbraw/zinc/11/27/06/379112706.db2.gz HNBWJPCVGRCGPC-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO Cc1cc(Br)ccc1C[N@H+](C)CCCN(C)C ZINC000348919794 379112710 /nfs/dbraw/zinc/11/27/10/379112710.db2.gz HNBWJPCVGRCGPC-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000349194149 379185317 /nfs/dbraw/zinc/18/53/17/379185317.db2.gz RFICZPLGTPMYHX-DOTOQJQBSA-N 1 3 262.441 3.006 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000349194149 379185321 /nfs/dbraw/zinc/18/53/21/379185321.db2.gz RFICZPLGTPMYHX-DOTOQJQBSA-N 1 3 262.441 3.006 20 0 CGADHO CC[C@@H](C)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000376729992 379595417 /nfs/dbraw/zinc/59/54/17/379595417.db2.gz UWZLTAFNFJTBJD-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO CSc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760439 379572876 /nfs/dbraw/zinc/57/28/76/379572876.db2.gz YCJACMWZNKHQTP-UHFFFAOYSA-N 1 3 290.476 3.326 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000267197220 190310420 /nfs/dbraw/zinc/31/04/20/190310420.db2.gz FGFZSNXEAQFTGJ-CQSZACIVSA-N 1 3 269.392 3.013 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000267197220 190310421 /nfs/dbraw/zinc/31/04/21/190310421.db2.gz FGFZSNXEAQFTGJ-CQSZACIVSA-N 1 3 269.392 3.013 20 0 CGADHO C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CN1CCCC1 ZINC000280765160 379784068 /nfs/dbraw/zinc/78/40/68/379784068.db2.gz FTLSAVFVOPEIEV-MAUKXSAKSA-N 1 3 287.451 3.244 20 0 CGADHO [NH3+]CCCN(Cc1ccsc1)CC1CCCC1 ZINC000352525603 379844931 /nfs/dbraw/zinc/84/49/31/379844931.db2.gz HLEZQGGISIKWJZ-UHFFFAOYSA-N 1 3 252.427 3.089 20 0 CGADHO CC(C)[C@@H](CNC1CC(OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000352568300 379861299 /nfs/dbraw/zinc/86/12/99/379861299.db2.gz XQYBVNZLMKDUNI-UYSNPLJNSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)C1CCC([NH2+]CC2=CCN(C)CC2)CC1 ZINC000392214181 379911701 /nfs/dbraw/zinc/91/17/01/379911701.db2.gz UEXBTFHUYJUDCX-UHFFFAOYSA-N 1 3 250.430 3.053 20 0 CGADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCCC1 ZINC000394532734 379919676 /nfs/dbraw/zinc/91/96/76/379919676.db2.gz LSBFCOKSGDRVTF-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000388699422 379890262 /nfs/dbraw/zinc/89/02/62/379890262.db2.gz MTWGCVSATWBYFI-PBHICJAKSA-N 1 3 273.424 3.219 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)CC(F)(F)F ZINC000402720811 379971533 /nfs/dbraw/zinc/97/15/33/379971533.db2.gz XWJVACGAPHAUJZ-SRVKXCTJSA-N 1 3 266.351 3.072 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000643474079 380316877 /nfs/dbraw/zinc/31/68/77/380316877.db2.gz UJEWCVZBFLQOKP-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643522143 380337338 /nfs/dbraw/zinc/33/73/38/380337338.db2.gz IVVHHBTXFGFHTA-BRWVUGGUSA-N 1 3 287.451 3.148 20 0 CGADHO CCc1ccc([C@H](CC)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521441 380335231 /nfs/dbraw/zinc/33/52/31/380335231.db2.gz IDSPSMXMXFEBBX-SJORKVTESA-N 1 3 260.425 3.432 20 0 CGADHO Cc1ccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000643457127 380310267 /nfs/dbraw/zinc/31/02/67/380310267.db2.gz YVJLRXHBACQKPT-JWTNVVGKSA-N 1 3 272.436 3.109 20 0 CGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547608 380363596 /nfs/dbraw/zinc/36/35/96/380363596.db2.gz HXEQRBSLQQWEDR-ZIAGYGMSSA-N 1 3 252.446 3.466 20 0 CGADHO c1ccc([C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C2CC2)cc1 ZINC000643548499 380364717 /nfs/dbraw/zinc/36/47/17/380364717.db2.gz QFHCVGILONPAGV-DLBZAZTESA-N 1 3 270.420 3.402 20 0 CGADHO c1ccc([C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643548499 380364724 /nfs/dbraw/zinc/36/47/24/380364724.db2.gz QFHCVGILONPAGV-DLBZAZTESA-N 1 3 270.420 3.402 20 0 CGADHO COc1ccc(Cl)cc1CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673146 380365250 /nfs/dbraw/zinc/36/52/50/380365250.db2.gz BVWSYZYPWRGVKB-OLZOCXBDSA-N 1 3 296.842 3.169 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1(CC)CC ZINC000643548433 380365635 /nfs/dbraw/zinc/36/56/35/380365635.db2.gz PIWNSPMRZXTQDV-HRCADAONSA-N 1 3 294.483 3.235 20 0 CGADHO CCO[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C1(CC)CC ZINC000643548433 380365640 /nfs/dbraw/zinc/36/56/40/380365640.db2.gz PIWNSPMRZXTQDV-HRCADAONSA-N 1 3 294.483 3.235 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682628 380371181 /nfs/dbraw/zinc/37/11/81/380371181.db2.gz YRUUORMOVRZLIN-JHJVBQTASA-N 1 3 282.378 3.346 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643522145 380337627 /nfs/dbraw/zinc/33/76/27/380337627.db2.gz IVVHHBTXFGFHTA-IXDOHACOSA-N 1 3 287.451 3.148 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+][C@H]2CCCNCC2)C2CC2)cc1 ZINC000643521954 380338043 /nfs/dbraw/zinc/33/80/43/380338043.db2.gz FTDPQFAKZQNUOW-ZWKOTPCHSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000643525958 380341328 /nfs/dbraw/zinc/34/13/28/380341328.db2.gz KINXAGORNJEXLP-CABCVRRESA-N 1 3 284.403 3.263 20 0 CGADHO CC(C)=CCOc1ccc(CC[C@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643528134 380344320 /nfs/dbraw/zinc/34/43/20/380344320.db2.gz DGHNVXFIALSGSH-CVEARBPZSA-N 1 3 290.451 3.290 20 0 CGADHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547605 380363344 /nfs/dbraw/zinc/36/33/44/380363344.db2.gz HXEQRBSLQQWEDR-KGLIPLIRSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1cc(F)ccc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414813901 380426546 /nfs/dbraw/zinc/42/65/46/380426546.db2.gz USJVJQKDUHEYEG-CYBMUJFWSA-N 1 3 272.367 3.444 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414825401 380434648 /nfs/dbraw/zinc/43/46/48/380434648.db2.gz SNXSZAZIKIIINQ-YCPHGPKFSA-N 1 3 278.415 3.125 20 0 CGADHO Fc1cccc(Cl)c1CCC[NH2+]C[C@@H]1CCCNC1 ZINC000414856153 380457623 /nfs/dbraw/zinc/45/76/23/380457623.db2.gz NZNUUYOXNXRAMW-GFCCVEGCSA-N 1 3 284.806 3.001 20 0 CGADHO Fc1cccc(Cl)c1CCCNC[C@@H]1CCC[NH2+]C1 ZINC000414856153 380457629 /nfs/dbraw/zinc/45/76/29/380457629.db2.gz NZNUUYOXNXRAMW-GFCCVEGCSA-N 1 3 284.806 3.001 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000414827850 380438662 /nfs/dbraw/zinc/43/86/62/380438662.db2.gz YOPIINFBNIINCR-BHYGNILZSA-N 1 3 260.425 3.115 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414841291 380448298 /nfs/dbraw/zinc/44/82/98/380448298.db2.gz ZEPAMNCSIXJUFB-XNHLSEOASA-N 1 3 272.436 3.189 20 0 CGADHO Clc1ccc(CNCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414846825 380452047 /nfs/dbraw/zinc/45/20/47/380452047.db2.gz IEZUKKIBYUOXSC-NSHDSACASA-N 1 3 287.234 3.473 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780322 380401273 /nfs/dbraw/zinc/40/12/73/380401273.db2.gz LIINAJDPQBUQAL-KGLIPLIRSA-N 1 3 296.817 3.301 20 0 CGADHO CC(C)[C@H](N)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414787737 380404385 /nfs/dbraw/zinc/40/43/85/380404385.db2.gz CMFSYQBUDZVHIR-OAHLLOKOSA-N 1 3 274.433 3.488 20 0 CGADHO COc1ccc2cc(CN[C@H]3CCCC[C@H]3C[NH3+])ccc2c1 ZINC000414791482 380406542 /nfs/dbraw/zinc/40/65/42/380406542.db2.gz BHVFNKYAOJLKFP-HKUYNNGSSA-N 1 3 298.430 3.456 20 0 CGADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414791674 380407248 /nfs/dbraw/zinc/40/72/48/380407248.db2.gz IEOGSQTVRPZRCV-LBPRGKRZSA-N 1 3 254.443 3.119 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H](N)C(C)C ZINC000414796123 380410939 /nfs/dbraw/zinc/41/09/39/380410939.db2.gz NNTTXKDNQITORE-AWEZNQCLSA-N 1 3 254.805 3.030 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414801612 380414431 /nfs/dbraw/zinc/41/44/31/380414431.db2.gz LZGZWICSAJFVRD-FVQBIDKESA-N 1 3 252.446 3.452 20 0 CGADHO CC(C)C[C@H](CNC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000414801152 380414673 /nfs/dbraw/zinc/41/46/73/380414673.db2.gz TWVVMBSNVOUUDK-SJORKVTESA-N 1 3 262.441 3.389 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414809862 380422407 /nfs/dbraw/zinc/42/24/07/380422407.db2.gz USRGBZVISBCPHJ-KZNAEPCWSA-N 1 3 274.452 3.423 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000414926867 380491478 /nfs/dbraw/zinc/49/14/78/380491478.db2.gz NXTHHUYQMMLDRD-STQMWFEESA-N 1 3 252.789 3.008 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000414926261 380491778 /nfs/dbraw/zinc/49/17/78/380491778.db2.gz NDFOIICMQOMILC-YYIAUSFCSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@@H]1c1ccccc1 ZINC000414931750 380493620 /nfs/dbraw/zinc/49/36/20/380493620.db2.gz UXUMFAKKRKPXQT-BYHHXJKWSA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000414931750 380493625 /nfs/dbraw/zinc/49/36/25/380493625.db2.gz UXUMFAKKRKPXQT-BYHHXJKWSA-N 1 3 258.409 3.038 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000414948795 380502940 /nfs/dbraw/zinc/50/29/40/380502940.db2.gz MNTFBDJLXLCMMM-YQQAZPJKSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414948795 380502946 /nfs/dbraw/zinc/50/29/46/380502946.db2.gz MNTFBDJLXLCMMM-YQQAZPJKSA-N 1 3 260.425 3.046 20 0 CGADHO Cc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000415053986 380506534 /nfs/dbraw/zinc/50/65/34/380506534.db2.gz PHYVFVBCOGSABY-HOCLYGCPSA-N 1 3 278.465 3.329 20 0 CGADHO CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000414860802 380460951 /nfs/dbraw/zinc/46/09/51/380460951.db2.gz VUHLFTFRTKTZNF-UXLLHSPISA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](NCc1cccc(-c2ccncc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414861344 380461511 /nfs/dbraw/zinc/46/15/11/380461511.db2.gz WLRINZNNVCRVNA-BEFAXECRSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414875299 380470899 /nfs/dbraw/zinc/47/08/99/380470899.db2.gz JULPTEMDIQAIJW-KYOSRNDESA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(F)c(-c2cccs2)c1 ZINC000414883772 380473908 /nfs/dbraw/zinc/47/39/08/380473908.db2.gz NLXRPGCJWJFCKH-LLVKDONJSA-N 1 3 278.396 3.381 20 0 CGADHO CCC[C@@H](CNCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000414899390 380480900 /nfs/dbraw/zinc/48/09/00/380480900.db2.gz BRNSPRBIHPEAGA-DLBZAZTESA-N 1 3 260.425 3.302 20 0 CGADHO CC1(CNCc2cc(Cl)ccc2Cl)CC[NH2+]CC1 ZINC000414904172 380482468 /nfs/dbraw/zinc/48/24/68/380482468.db2.gz MZRLFCAKBIFUTD-UHFFFAOYSA-N 1 3 287.234 3.473 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414903616 380482481 /nfs/dbraw/zinc/48/24/81/380482481.db2.gz IQPROOKEXJSTSQ-ZFWWWQNUSA-N 1 3 266.454 3.049 20 0 CGADHO CC[C@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000414903917 380482607 /nfs/dbraw/zinc/48/26/07/380482607.db2.gz MRYWXDYUJNBGMG-NVXWUHKLSA-N 1 3 260.425 3.160 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)c1 ZINC000414900675 380482694 /nfs/dbraw/zinc/48/26/94/380482694.db2.gz FCOPHSSNAYTOGL-WMZOPIPTSA-N 1 3 274.452 3.295 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201506 380623000 /nfs/dbraw/zinc/62/30/00/380623000.db2.gz BDQRYQOSQXAMHY-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201506 380623005 /nfs/dbraw/zinc/62/30/05/380623005.db2.gz BDQRYQOSQXAMHY-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201506 380623009 /nfs/dbraw/zinc/62/30/09/380623009.db2.gz BDQRYQOSQXAMHY-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000355201506 380623011 /nfs/dbraw/zinc/62/30/11/380623011.db2.gz BDQRYQOSQXAMHY-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO Cc1ccc(C[N@H+](CC[C@H]2CCCN2C)CC2CC2)cn1 ZINC000646019882 380800463 /nfs/dbraw/zinc/80/04/63/380800463.db2.gz LXQHGDOMBSDZTQ-GOSISDBHSA-N 1 3 287.451 3.086 20 0 CGADHO Cc1ccc(C[N@@H+](CC[C@H]2CCCN2C)CC2CC2)cn1 ZINC000646019882 380800468 /nfs/dbraw/zinc/80/04/68/380800468.db2.gz LXQHGDOMBSDZTQ-GOSISDBHSA-N 1 3 287.451 3.086 20 0 CGADHO C[NH+](C)C1CCC(NCc2ccc(F)cc2Cl)CC1 ZINC000421378823 380920014 /nfs/dbraw/zinc/92/00/14/380920014.db2.gz WFMBCKUMUVAESR-UHFFFAOYSA-N 1 3 284.806 3.442 20 0 CGADHO CC[NH+](CC)CCSCCN(C)Cc1ccc(F)cc1 ZINC000357735000 381269845 /nfs/dbraw/zinc/26/98/45/381269845.db2.gz XPEJPPDAYIALPF-UHFFFAOYSA-N 1 3 298.471 3.333 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@]3(C)CCOC3)CC2)C1 ZINC000358712561 381324295 /nfs/dbraw/zinc/32/42/95/381324295.db2.gz INKOJAVCXDUBPS-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@]3(C)CCOC3)CC2)C1 ZINC000358712561 381324297 /nfs/dbraw/zinc/32/42/97/381324297.db2.gz INKOJAVCXDUBPS-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397948 381730571 /nfs/dbraw/zinc/73/05/71/381730571.db2.gz ZOJFFAMYRPJRIB-KURKYZTESA-N 1 3 272.436 3.206 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397948 381730576 /nfs/dbraw/zinc/73/05/76/381730576.db2.gz ZOJFFAMYRPJRIB-KURKYZTESA-N 1 3 272.436 3.206 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361397948 381730583 /nfs/dbraw/zinc/73/05/83/381730583.db2.gz ZOJFFAMYRPJRIB-KURKYZTESA-N 1 3 272.436 3.206 20 0 CGADHO Oc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000237971535 542318615 /nfs/dbraw/zinc/31/86/15/542318615.db2.gz IFGLFBPGYMAXPT-UHFFFAOYSA-N 1 3 296.414 3.278 20 0 CGADHO c1cncc([C@@H]2CCC[C@H]([NH2+]CCCN3CCCC3)C2)c1 ZINC000367042909 382331345 /nfs/dbraw/zinc/33/13/45/382331345.db2.gz LNHWJSNPQWQSFB-AEFFLSMTSA-N 1 3 287.451 3.183 20 0 CGADHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367710794 382354874 /nfs/dbraw/zinc/35/48/74/382354874.db2.gz YZJLNOUASDBWCV-PBHICJAKSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000367710794 382354879 /nfs/dbraw/zinc/35/48/79/382354879.db2.gz YZJLNOUASDBWCV-PBHICJAKSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@H]1CN ZINC000252708301 542351115 /nfs/dbraw/zinc/35/11/15/542351115.db2.gz ZTBBXOMAIFAGDW-FZMZJTMJSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1CN ZINC000252708301 542351117 /nfs/dbraw/zinc/35/11/17/542351117.db2.gz ZTBBXOMAIFAGDW-FZMZJTMJSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443436 532992950 /nfs/dbraw/zinc/99/29/50/532992950.db2.gz KKNCPEDIFDNLDN-VWYCJHECSA-N 1 3 288.407 3.430 20 0 CGADHO COc1ccccc1[C@H](NC[C@@H](C)C[NH3+])C1CCCC1 ZINC000423302826 533019715 /nfs/dbraw/zinc/01/97/15/533019715.db2.gz VZOGZBADRVRWHE-SUMWQHHRSA-N 1 3 276.424 3.111 20 0 CGADHO COC1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000358768233 533040110 /nfs/dbraw/zinc/04/01/10/533040110.db2.gz GBCPRNFKEORPGA-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743215 220292748 /nfs/dbraw/zinc/29/27/48/220292748.db2.gz BOGOFHHWTYOZHZ-WMLDXEAASA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743215 220292750 /nfs/dbraw/zinc/29/27/50/220292750.db2.gz BOGOFHHWTYOZHZ-WMLDXEAASA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745335 220295129 /nfs/dbraw/zinc/29/51/29/220295129.db2.gz JCFIHWPFSFKPIL-DNVCBOLYSA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)CCC3)[C@H](C)C1 ZINC000353745335 220295131 /nfs/dbraw/zinc/29/51/31/220295131.db2.gz JCFIHWPFSFKPIL-DNVCBOLYSA-N 1 3 286.463 3.337 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000423277518 533176758 /nfs/dbraw/zinc/17/67/58/533176758.db2.gz OIVYKZXDMZUKGM-OAOQPFQOSA-N 1 3 290.451 3.294 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000423277516 533176870 /nfs/dbraw/zinc/17/68/70/533176870.db2.gz OIVYKZXDMZUKGM-CXHZTBPHSA-N 1 3 290.451 3.294 20 0 CGADHO COc1ccc([C@H](CCC(C)C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423438631 533177251 /nfs/dbraw/zinc/17/72/51/533177251.db2.gz HCVJYRLVGROYJY-ZQIUZPCESA-N 1 3 278.440 3.498 20 0 CGADHO CC[C@@H]1CN(Cc2ccc3cc(OC)ccc3c2)CC[C@@H]1[NH3+] ZINC000317641522 542438764 /nfs/dbraw/zinc/43/87/64/542438764.db2.gz YJGGEIAUITYFEP-BEFAXECRSA-N 1 3 298.430 3.408 20 0 CGADHO CCN(CC[C@@H](C)[N@H+](CC)CC1CC1)CC1CC1 ZINC000343748343 542501633 /nfs/dbraw/zinc/50/16/33/542501633.db2.gz WPOBDNQCYQUULI-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC[C@@H](C)[N@@H+](CC)CC1CC1)CC1CC1 ZINC000343748343 542501636 /nfs/dbraw/zinc/50/16/36/542501636.db2.gz WPOBDNQCYQUULI-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000423295528 533409044 /nfs/dbraw/zinc/40/90/44/533409044.db2.gz FAIYPNVYEYOUAQ-DTWKUNHWSA-N 1 3 261.196 3.239 20 0 CGADHO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391115 533508591 /nfs/dbraw/zinc/50/85/91/533508591.db2.gz PIMZKEYJZYDEPD-ZDUSSCGKSA-N 1 3 258.409 3.348 20 0 CGADHO C[C@@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402631 533536941 /nfs/dbraw/zinc/53/69/41/533536941.db2.gz RLPMHDVKAXLOHJ-SJKOYZFVSA-N 1 3 254.377 3.228 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000414925785 542640653 /nfs/dbraw/zinc/64/06/53/542640653.db2.gz MDCPFZOPVNVZCU-CVEARBPZSA-N 1 3 276.424 3.095 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(-c2ccccc2)c1)[C@H](C)N ZINC000415006657 542641776 /nfs/dbraw/zinc/64/17/76/542641776.db2.gz KUTDBTOBMNXPAG-UONOGXRCSA-N 1 3 254.377 3.179 20 0 CGADHO C1=CC[C@H](C[N@@H+]2CCC[C@H](N3CCCC3)CC2)CC1 ZINC000093563687 392239081 /nfs/dbraw/zinc/23/90/81/392239081.db2.gz YZDLRESFPMTBSL-IRXDYDNUSA-N 1 3 262.441 3.293 20 0 CGADHO C1=CC[C@H](C[N@H+]2CCC[C@H](N3CCCC3)CC2)CC1 ZINC000093563687 392239086 /nfs/dbraw/zinc/23/90/86/392239086.db2.gz YZDLRESFPMTBSL-IRXDYDNUSA-N 1 3 262.441 3.293 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)C12CCC2 ZINC000087709146 392225865 /nfs/dbraw/zinc/22/58/65/392225865.db2.gz ZFZDPYCLYWTUHW-SJORKVTESA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000087709146 392225868 /nfs/dbraw/zinc/22/58/68/392225868.db2.gz ZFZDPYCLYWTUHW-SJORKVTESA-N 1 3 294.483 3.046 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249373224 131120989 /nfs/dbraw/zinc/12/09/89/131120989.db2.gz FODKIXACEAEKKB-OCCSQVGLSA-N 1 3 266.454 3.357 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236040 542701661 /nfs/dbraw/zinc/70/16/61/542701661.db2.gz IDVNQKUDKCCIOS-SJLPKXTDSA-N 1 3 296.499 3.388 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236040 542701663 /nfs/dbraw/zinc/70/16/63/542701663.db2.gz IDVNQKUDKCCIOS-SJLPKXTDSA-N 1 3 296.499 3.388 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@H]1CCCc2n[nH]cc21 ZINC000367633559 392479419 /nfs/dbraw/zinc/47/94/19/392479419.db2.gz IJGRYJOJTSDBHR-HOCLYGCPSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCN[C@H]1CCCc2n[nH]cc21 ZINC000367633559 392479427 /nfs/dbraw/zinc/47/94/27/392479427.db2.gz IJGRYJOJTSDBHR-HOCLYGCPSA-N 1 3 290.455 3.031 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000371337772 392513832 /nfs/dbraw/zinc/51/38/32/392513832.db2.gz WFBTTZVBNIYCHW-MTSZKFMLSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000302555020 392616065 /nfs/dbraw/zinc/61/60/65/392616065.db2.gz JKTMPFPUKSRMHD-SJORKVTESA-N 1 3 287.451 3.481 20 0 CGADHO Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccn1 ZINC000302555020 392616067 /nfs/dbraw/zinc/61/60/67/392616067.db2.gz JKTMPFPUKSRMHD-SJORKVTESA-N 1 3 287.451 3.481 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccco1 ZINC000647343027 392690866 /nfs/dbraw/zinc/69/08/66/392690866.db2.gz AMHBQVNORAURMU-OIISXLGYSA-N 1 3 284.403 3.276 20 0 CGADHO c1cc2cnccc2c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479314 392734413 /nfs/dbraw/zinc/73/44/13/392734413.db2.gz BXJBYRTYZAOTJK-PKOBYXMFSA-N 1 3 295.430 3.199 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000647485287 392739022 /nfs/dbraw/zinc/73/90/22/392739022.db2.gz MEWOGGZGXGSIFF-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000647485287 392739024 /nfs/dbraw/zinc/73/90/24/392739024.db2.gz MEWOGGZGXGSIFF-CABCVRRESA-N 1 3 252.446 3.134 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000182376398 392744487 /nfs/dbraw/zinc/74/44/87/392744487.db2.gz SEJLIUBJAMVQGT-UGSOOPFHSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182376398 392744491 /nfs/dbraw/zinc/74/44/91/392744491.db2.gz SEJLIUBJAMVQGT-UGSOOPFHSA-N 1 3 288.410 3.277 20 0 CGADHO CC1([NH3+])CCN(CCCCCOc2ccccc2)CC1 ZINC000647530968 392752424 /nfs/dbraw/zinc/75/24/24/392752424.db2.gz RVUPULHONZBIHN-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO Fc1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542833 392761099 /nfs/dbraw/zinc/76/10/99/392761099.db2.gz COKGDFHPNRDVOW-CVEARBPZSA-N 1 3 276.399 3.037 20 0 CGADHO Clc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647550975 392764011 /nfs/dbraw/zinc/76/40/11/392764011.db2.gz RBBZCKVCHVWCLE-VHRBIJSZSA-N 1 3 299.245 3.471 20 0 CGADHO FC1(F)CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000336252938 392844438 /nfs/dbraw/zinc/84/44/38/392844438.db2.gz DEPDNIOEKBWBQZ-KBPBESRZSA-N 1 3 272.383 3.028 20 0 CGADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CCNCC1)CC2 ZINC000335568793 392799215 /nfs/dbraw/zinc/79/92/15/392799215.db2.gz SLBORZWODHXODK-QGZVFWFLSA-N 1 3 258.409 3.139 20 0 CGADHO CSc1cccc(F)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796890 392800442 /nfs/dbraw/zinc/80/04/42/392800442.db2.gz QSUXKKXSMQKVHP-FRRDWIJNSA-N 1 3 294.439 3.025 20 0 CGADHO Cc1cccc2c1CC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000647803263 392804375 /nfs/dbraw/zinc/80/43/75/392804375.db2.gz QGRNHSZETYZUAL-GOSISDBHSA-N 1 3 266.388 3.231 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904158 392829048 /nfs/dbraw/zinc/82/90/48/392829048.db2.gz XWCLZEKQIWGDLH-RTBURBONSA-N 1 3 286.463 3.392 20 0 CGADHO CC(C)CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000647990864 392858500 /nfs/dbraw/zinc/85/85/00/392858500.db2.gz ORJVOOOLTGNJQH-WBVHZDCISA-N 1 3 287.451 3.027 20 0 CGADHO CC(C)(C)[C@H](NC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000647991957 392858518 /nfs/dbraw/zinc/85/85/18/392858518.db2.gz JGJTXFAYCDRMCE-SWLSCSKDSA-N 1 3 264.388 3.112 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]CCCN1CCC(C)CC1 ZINC000513754936 542733037 /nfs/dbraw/zinc/73/30/37/542733037.db2.gz OIERQAJTWXFSRW-HZPDHXFCSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000521292571 542739009 /nfs/dbraw/zinc/73/90/09/542739009.db2.gz PWOMIDQQEVXNCG-WTTBNOFXSA-N 1 3 264.457 3.133 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000415041510 393108301 /nfs/dbraw/zinc/10/83/01/393108301.db2.gz PYNIACRPHQFSJX-ZJUUUORDSA-N 1 3 273.207 3.210 20 0 CGADHO CCCCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000415014006 393097223 /nfs/dbraw/zinc/09/72/23/393097223.db2.gz WDSMYPGWSQYLJV-KBPBESRZSA-N 1 3 264.413 3.081 20 0 CGADHO C[C@H]1CCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000467439981 393100319 /nfs/dbraw/zinc/10/03/19/393100319.db2.gz OZFHMKTVWMAYHA-KBPBESRZSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2COc3ccccc32)CC1 ZINC000343934799 393036121 /nfs/dbraw/zinc/03/61/21/393036121.db2.gz OKPZMTVUEIFBFI-CQSZACIVSA-N 1 3 288.435 3.015 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000343934799 393036130 /nfs/dbraw/zinc/03/61/30/393036130.db2.gz OKPZMTVUEIFBFI-CQSZACIVSA-N 1 3 288.435 3.015 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000414851375 393056644 /nfs/dbraw/zinc/05/66/44/393056644.db2.gz JCAAMAZUGGMYFP-UIDBIOKJSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCNCC1(C)C ZINC000414967212 393071347 /nfs/dbraw/zinc/07/13/47/393071347.db2.gz HCRPZOVPVPWMJM-WBVHZDCISA-N 1 3 274.452 3.233 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000414976535 393075433 /nfs/dbraw/zinc/07/54/33/393075433.db2.gz ICXGKHUEKKSGSD-INIZCTEOSA-N 1 3 284.403 3.189 20 0 CGADHO CC(C)(C)c1ncc(CNCCC[C@H]2CCC[NH2+]2)s1 ZINC000414982107 393079497 /nfs/dbraw/zinc/07/94/97/393079497.db2.gz YJAUUCYDPHOQEW-LBPRGKRZSA-N 1 3 281.469 3.062 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000414986143 393080336 /nfs/dbraw/zinc/08/03/36/393080336.db2.gz XJGXVPNOWUGRJD-QGZVFWFLSA-N 1 3 268.404 3.489 20 0 CGADHO CCCCCOc1ccc(C[NH2+]C[C@@H](N)CC)cc1 ZINC000414988339 393080654 /nfs/dbraw/zinc/08/06/54/393080654.db2.gz ZQUZUZZIXSORIB-HNNXBMFYSA-N 1 3 264.413 3.083 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000415049695 393112591 /nfs/dbraw/zinc/11/25/91/393112591.db2.gz XUNRYNTYBAMWLS-SKDRFNHKSA-N 1 3 290.304 3.062 20 0 CGADHO C[C@H](NCC1CC[NH2+]CC1)c1nc(C(C)(C)C)cs1 ZINC000415089271 393140175 /nfs/dbraw/zinc/14/01/75/393140175.db2.gz YRRVLDZWXWQRQL-NSHDSACASA-N 1 3 281.469 3.091 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000415103217 393145256 /nfs/dbraw/zinc/14/52/56/393145256.db2.gz CULRSVAJNQFTBO-QAPCUYQASA-N 1 3 295.430 3.165 20 0 CGADHO COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000273088682 393272253 /nfs/dbraw/zinc/27/22/53/393272253.db2.gz QWKICKGDJHFVCK-LSDHHAIUSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273088682 393272264 /nfs/dbraw/zinc/27/22/64/393272264.db2.gz QWKICKGDJHFVCK-LSDHHAIUSA-N 1 3 288.435 3.139 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCCC1 ZINC000475207292 393382938 /nfs/dbraw/zinc/38/29/38/393382938.db2.gz GTKHUKACOVMELJ-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1cccc(F)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000475233007 393384500 /nfs/dbraw/zinc/38/45/00/393384500.db2.gz KVRVURGTAZPIJH-UHFFFAOYSA-N 1 3 290.426 3.352 20 0 CGADHO CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000356233648 393391143 /nfs/dbraw/zinc/39/11/43/393391143.db2.gz RMHAGYSOZPSAFX-WBVHZDCISA-N 1 3 294.483 3.021 20 0 CGADHO Clc1ccc(CCCN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420390599 393480108 /nfs/dbraw/zinc/48/01/08/393480108.db2.gz YMEAZVZTPOYHPZ-QGZVFWFLSA-N 1 3 292.854 3.348 20 0 CGADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)c(F)c1 ZINC000420370000 393476622 /nfs/dbraw/zinc/47/66/22/393476622.db2.gz JHRVOVXJPBGVLZ-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cccc(F)c1F ZINC000420405383 393484402 /nfs/dbraw/zinc/48/44/02/393484402.db2.gz MSNOJTPINKIINL-VXGBXAGGSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1cccc(F)c1F ZINC000420405381 393484628 /nfs/dbraw/zinc/48/46/28/393484628.db2.gz MSNOJTPINKIINL-NWDGAFQWSA-N 1 3 268.351 3.005 20 0 CGADHO Cc1cccc(C)c1OCCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430560008 393574682 /nfs/dbraw/zinc/57/46/82/393574682.db2.gz YFECTLWEYYFRMR-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO COc1ccc(C[NH2+]C[C@H]2CCCCN2)c2ccccc12 ZINC000666768548 542814488 /nfs/dbraw/zinc/81/44/88/542814488.db2.gz JVFNPMQBDYRDPG-OAHLLOKOSA-N 1 3 284.403 3.080 20 0 CGADHO CC(C)(CNCC1([NH3+])CCCCC1)c1ccccc1 ZINC000666802264 542816930 /nfs/dbraw/zinc/81/69/30/542816930.db2.gz SJKYKNTYPNRZKK-UHFFFAOYSA-N 1 3 260.425 3.215 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000666857636 542821473 /nfs/dbraw/zinc/82/14/73/542821473.db2.gz CJLUSACQPSIMMT-IAGOWNOFSA-N 1 3 260.425 3.048 20 0 CGADHO CC[C@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013125 393625479 /nfs/dbraw/zinc/62/54/79/393625479.db2.gz LROWEAZRVLHAER-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@H]2CCNCC[C@H]2C)c1 ZINC000422791097 393641827 /nfs/dbraw/zinc/64/18/27/393641827.db2.gz YDUUQDRALSPVCG-WBVHZDCISA-N 1 3 274.452 3.250 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1csc(-c2ccccc2)n1 ZINC000422776933 393642071 /nfs/dbraw/zinc/64/20/71/393642071.db2.gz BHGIFVONCVNCQW-OLZOCXBDSA-N 1 3 289.448 3.068 20 0 CGADHO CCC(CC)[C@@H]1C[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423050609 393649026 /nfs/dbraw/zinc/64/90/26/393649026.db2.gz YYPVAQYIIZWGPX-HJWJTTGWSA-N 1 3 282.472 3.090 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000423077030 393650361 /nfs/dbraw/zinc/65/03/61/393650361.db2.gz LCKWGUOMQXZGDM-IAGOWNOFSA-N 1 3 258.409 3.171 20 0 CGADHO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)C2CNC2)c2ccccc21 ZINC000423086786 393650821 /nfs/dbraw/zinc/65/08/21/393650821.db2.gz OCVQXBVQXMRPFF-DEYYWGMASA-N 1 3 272.436 3.111 20 0 CGADHO CC(C)[C@@H]1C[C@@H](CN[C@@H](C)C2C[NH2+]C2)c2ccccc21 ZINC000423086786 393650827 /nfs/dbraw/zinc/65/08/27/393650827.db2.gz OCVQXBVQXMRPFF-DEYYWGMASA-N 1 3 272.436 3.111 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423111285 393652281 /nfs/dbraw/zinc/65/22/81/393652281.db2.gz IQSXHNATBOXADN-XYQBIQKZSA-N 1 3 272.436 3.287 20 0 CGADHO [NH3+]CCCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423176645 393653619 /nfs/dbraw/zinc/65/36/19/393653619.db2.gz HNTJRUYCBPZRTH-ZDUSSCGKSA-N 1 3 287.432 3.126 20 0 CGADHO Cc1cc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC000423204757 393654741 /nfs/dbraw/zinc/65/47/41/393654741.db2.gz DSHNGFWSICHGEM-DYVFJYSZSA-N 1 3 276.399 3.174 20 0 CGADHO Cc1cc2c(cc1C)[C@H](NCC[C@H](C)[NH3+])CCS2 ZINC000423227655 393654820 /nfs/dbraw/zinc/65/48/20/393654820.db2.gz WNMYXRDTSGMQCZ-GXTWGEPZSA-N 1 3 264.438 3.167 20 0 CGADHO CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423258831 393655875 /nfs/dbraw/zinc/65/58/75/393655875.db2.gz CPAHVLJSHKJCJJ-GXTWGEPZSA-N 1 3 260.381 3.457 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423319134 393661019 /nfs/dbraw/zinc/66/10/19/393661019.db2.gz CXJZERCAGPWVJQ-MRXNPFEDSA-N 1 3 254.462 3.427 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000423321073 393661591 /nfs/dbraw/zinc/66/15/91/393661591.db2.gz GBCAZZCPQPBVMQ-GXTWGEPZSA-N 1 3 252.427 3.097 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423321073 393661597 /nfs/dbraw/zinc/66/15/97/393661597.db2.gz GBCAZZCPQPBVMQ-GXTWGEPZSA-N 1 3 252.427 3.097 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C(C)C)cc1 ZINC000423372920 393664232 /nfs/dbraw/zinc/66/42/32/393664232.db2.gz HKMONQOWIOFBBZ-BZSNNMDCSA-N 1 3 274.452 3.422 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C1CCCCC1 ZINC000423391843 393665102 /nfs/dbraw/zinc/66/51/02/393665102.db2.gz LEBDZHUFDDFFTB-IMJJTQAJSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423378684 393665237 /nfs/dbraw/zinc/66/52/37/393665237.db2.gz MOHJKZJNDCKGSC-XOKHGSTOSA-N 1 3 278.415 3.123 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)C2CCC2)cc1 ZINC000423406793 393666560 /nfs/dbraw/zinc/66/65/60/393666560.db2.gz VANBMPRIIPPVGK-BMGDILEWSA-N 1 3 272.436 3.424 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C2CCC2)cc1 ZINC000423406793 393666564 /nfs/dbraw/zinc/66/65/64/393666564.db2.gz VANBMPRIIPPVGK-BMGDILEWSA-N 1 3 272.436 3.424 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423471558 393669945 /nfs/dbraw/zinc/66/99/45/393669945.db2.gz PRQMYEBOVOJXAA-OFQRWUPVSA-N 1 3 294.414 3.187 20 0 CGADHO Cc1ccc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000443433053 393757304 /nfs/dbraw/zinc/75/73/04/393757304.db2.gz UUMCCZLKEDVHTI-HUUCEWRRSA-N 1 3 281.403 3.004 20 0 CGADHO Cc1ccc2nccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000443433053 393757308 /nfs/dbraw/zinc/75/73/08/393757308.db2.gz UUMCCZLKEDVHTI-HUUCEWRRSA-N 1 3 281.403 3.004 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000433234995 393701413 /nfs/dbraw/zinc/70/14/13/393701413.db2.gz UIQDFLCXZQPVRV-ZIAGYGMSSA-N 1 3 264.457 3.418 20 0 CGADHO CCc1cccc(Cl)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666955505 542829290 /nfs/dbraw/zinc/82/92/90/542829290.db2.gz RSMNRHKNHFFZAS-HNNXBMFYSA-N 1 3 278.827 3.134 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092705 393816792 /nfs/dbraw/zinc/81/67/92/393816792.db2.gz PVHICFPFJNVZCH-HUUCEWRRSA-N 1 3 284.513 3.467 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092705 393816794 /nfs/dbraw/zinc/81/67/94/393816794.db2.gz PVHICFPFJNVZCH-HUUCEWRRSA-N 1 3 284.513 3.467 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993861 542832301 /nfs/dbraw/zinc/83/23/01/542832301.db2.gz PCIIPYHLTCXTBX-UKRRQHHQSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993861 542832304 /nfs/dbraw/zinc/83/23/04/542832304.db2.gz PCIIPYHLTCXTBX-UKRRQHHQSA-N 1 3 276.399 3.021 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@@H]3CCNC4(CCC4)C3)ccc2n1 ZINC000666993783 542833006 /nfs/dbraw/zinc/83/30/06/542833006.db2.gz JHMIZOVTLPKZRW-QGZVFWFLSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC000666995737 542833966 /nfs/dbraw/zinc/83/39/66/542833966.db2.gz YEAARHJOOAUDBU-QPSCCSFWSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@H+](C)C2CC2)o1 ZINC000453590751 394252516 /nfs/dbraw/zinc/25/25/16/394252516.db2.gz BESQLAIAVDIDIU-CZUORRHYSA-N 1 3 276.424 3.367 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCCCC[N@@H+](C)C2CC2)o1 ZINC000453590751 394252519 /nfs/dbraw/zinc/25/25/19/394252519.db2.gz BESQLAIAVDIDIU-CZUORRHYSA-N 1 3 276.424 3.367 20 0 CGADHO CC1=CC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000668817826 543066487 /nfs/dbraw/zinc/06/64/87/543066487.db2.gz AIGPJZNOZTXNCT-SJORKVTESA-N 1 3 262.441 3.197 20 0 CGADHO CCCN(Cc1ccc(CC)s1)C1CC[NH2+]CC1 ZINC000037538886 397608534 /nfs/dbraw/zinc/60/85/34/397608534.db2.gz CFJJERWTUFNYPQ-UHFFFAOYSA-N 1 3 266.454 3.275 20 0 CGADHO CCC[N@H+](Cc1ccc(CC)s1)C1CCNCC1 ZINC000037538886 397608537 /nfs/dbraw/zinc/60/85/37/397608537.db2.gz CFJJERWTUFNYPQ-UHFFFAOYSA-N 1 3 266.454 3.275 20 0 CGADHO CCC[N@@H+](Cc1ccc(CC)s1)C1CCNCC1 ZINC000037538886 397608539 /nfs/dbraw/zinc/60/85/39/397608539.db2.gz CFJJERWTUFNYPQ-UHFFFAOYSA-N 1 3 266.454 3.275 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916011 397609631 /nfs/dbraw/zinc/60/96/31/397609631.db2.gz DPILZLPNGPPYMI-PVAVHDDUSA-N 1 3 258.409 3.212 20 0 CGADHO CC[C@H]1C[N@H+](CCCC2CCCCC2)CC[C@H]1N ZINC000395100142 397696816 /nfs/dbraw/zinc/69/68/16/397696816.db2.gz HKEGMONQTVRMIH-JKSUJKDBSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@H]1CN(CCCC2CCCCC2)CC[C@H]1[NH3+] ZINC000395100142 397696811 /nfs/dbraw/zinc/69/68/11/397696811.db2.gz HKEGMONQTVRMIH-JKSUJKDBSA-N 1 3 252.446 3.406 20 0 CGADHO CC[C@H]1C[N@@H+](CCCC2CCCCC2)CC[C@H]1N ZINC000395100142 397696818 /nfs/dbraw/zinc/69/68/18/397696818.db2.gz HKEGMONQTVRMIH-JKSUJKDBSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H]1CCCN(C/C=C\c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000650711566 397899345 /nfs/dbraw/zinc/89/93/45/397899345.db2.gz XOGOAGUFZHVFRI-APFCUJBGSA-N 1 3 276.399 3.288 20 0 CGADHO Cc1cc(F)c(CNCCC2(C[NH3+])CC2)c(Cl)c1 ZINC000650713907 397900130 /nfs/dbraw/zinc/90/01/30/397900130.db2.gz IOJAGARDKKDOMW-UHFFFAOYSA-N 1 3 270.779 3.006 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000650757489 397910647 /nfs/dbraw/zinc/91/06/47/397910647.db2.gz YFFZDSMMLUPCBT-GOSISDBHSA-N 1 3 296.414 3.279 20 0 CGADHO CC(C)C1(C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000674677898 543293270 /nfs/dbraw/zinc/29/32/70/543293270.db2.gz SWKLRAWBAXARIW-UHFFFAOYSA-N 1 3 290.451 3.153 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423123198 296576180 /nfs/dbraw/zinc/57/61/80/296576180.db2.gz DKSSHZGLOMQEBF-RDBSUJKOSA-N 1 3 274.399 3.180 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422812861 296576976 /nfs/dbraw/zinc/57/69/76/296576976.db2.gz RCDSTIJGZFATOS-SJLPKXTDSA-N 1 3 286.463 3.476 20 0 CGADHO C[C@@H](NCc1coc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000675904115 543372352 /nfs/dbraw/zinc/37/23/52/543372352.db2.gz PIVATZRDDHUQQL-CQSZACIVSA-N 1 3 299.418 3.162 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677238039 543440743 /nfs/dbraw/zinc/44/07/43/543440743.db2.gz VBFYZUNPSVOTBA-IRXDYDNUSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677238039 543440745 /nfs/dbraw/zinc/44/07/45/543440745.db2.gz VBFYZUNPSVOTBA-IRXDYDNUSA-N 1 3 286.463 3.489 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000677237165 543440799 /nfs/dbraw/zinc/44/07/99/543440799.db2.gz DPDUWLTZBJKGPE-CABCVRRESA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000677237165 543440801 /nfs/dbraw/zinc/44/08/01/543440801.db2.gz DPDUWLTZBJKGPE-CABCVRRESA-N 1 3 290.426 3.320 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@@H](N)CC(C)C ZINC000415088792 286018498 /nfs/dbraw/zinc/01/84/98/286018498.db2.gz MLWOPZVSDFETOJ-KCXAZCMYSA-N 1 3 298.858 3.379 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678217362 543495387 /nfs/dbraw/zinc/49/53/87/543495387.db2.gz SKIRBBWZKPXALL-MRXNPFEDSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678217362 543495389 /nfs/dbraw/zinc/49/53/89/543495389.db2.gz SKIRBBWZKPXALL-MRXNPFEDSA-N 1 3 290.451 3.249 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000678239422 543499295 /nfs/dbraw/zinc/49/92/95/543499295.db2.gz CDYOQGDWPRZXGT-SFHVURJKSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000678239422 543499297 /nfs/dbraw/zinc/49/92/97/543499297.db2.gz CDYOQGDWPRZXGT-SFHVURJKSA-N 1 3 288.435 3.001 20 0 CGADHO CC[C@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678210546 543492815 /nfs/dbraw/zinc/49/28/15/543492815.db2.gz NQSHYMWNSQHIGB-INIZCTEOSA-N 1 3 276.424 3.001 20 0 CGADHO CC[C@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678210546 543492817 /nfs/dbraw/zinc/49/28/17/543492817.db2.gz NQSHYMWNSQHIGB-INIZCTEOSA-N 1 3 276.424 3.001 20 0 CGADHO CCC1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678196233 543493378 /nfs/dbraw/zinc/49/33/78/543493378.db2.gz YBSFPMCLCJSOAR-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c(C)n1 ZINC000678412447 543521338 /nfs/dbraw/zinc/52/13/38/543521338.db2.gz WVNGQXPQSUHWFG-MRXNPFEDSA-N 1 3 289.467 3.471 20 0 CGADHO COCC1CCC([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000449215372 292264005 /nfs/dbraw/zinc/26/40/05/292264005.db2.gz XXEOBCOBKGGCDX-ADKAHSJRSA-N 1 3 296.499 3.149 20 0 CGADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCCC(C)(C)C)cc1 ZINC000414877445 286378756 /nfs/dbraw/zinc/37/87/56/286378756.db2.gz FXESEEWWVPXIOL-SJORKVTESA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)CN1CCCC1 ZINC000062077987 286959868 /nfs/dbraw/zinc/95/98/68/286959868.db2.gz XJLOKIZKDIPDDS-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO CCCCOc1ccc(CN2CCC(C[NH2+]C)CC2)cc1 ZINC000066152265 286969732 /nfs/dbraw/zinc/96/97/32/286969732.db2.gz LATPFVAIYDROAI-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cccnc1 ZINC000092739380 287022497 /nfs/dbraw/zinc/02/24/97/287022497.db2.gz AJGIYYLVLCBQTO-MRXNPFEDSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCCC1 ZINC000123709766 287041135 /nfs/dbraw/zinc/04/11/35/287041135.db2.gz KRKYRHDPPNZHGQ-CQSZACIVSA-N 1 3 260.425 3.417 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@H]1CCCN(C2CCC2)C1 ZINC000494995962 287072438 /nfs/dbraw/zinc/07/24/38/287072438.db2.gz MXHXGQICCFWSIT-NMNMXBMNSA-N 1 3 264.457 3.274 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000070091554 165055768 /nfs/dbraw/zinc/05/57/68/165055768.db2.gz GBZGKSGTLFLUSF-OLZOCXBDSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000070091554 165055770 /nfs/dbraw/zinc/05/57/70/165055770.db2.gz GBZGKSGTLFLUSF-OLZOCXBDSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1c[nH+]ccc1NC1CCN(Cc2ccccc2)CC1 ZINC000070489452 165061129 /nfs/dbraw/zinc/06/11/29/165061129.db2.gz GOQRTJWXNJQFMF-UHFFFAOYSA-N 1 3 281.403 3.467 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000089141416 165201147 /nfs/dbraw/zinc/20/11/47/165201147.db2.gz KHYOFTBBNFVQOG-LNSITVRQSA-N 1 3 298.377 3.456 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccnc2ccccc21 ZINC000089109059 165201258 /nfs/dbraw/zinc/20/12/58/165201258.db2.gz IQIOYGAHXMYKAE-GXTWGEPZSA-N 1 3 255.365 3.164 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093873170 165338081 /nfs/dbraw/zinc/33/80/81/165338081.db2.gz NPTKLWMKTHNJMB-LLVKDONJSA-N 1 3 286.366 3.266 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(C)CN ZINC000093873170 165338082 /nfs/dbraw/zinc/33/80/82/165338082.db2.gz NPTKLWMKTHNJMB-LLVKDONJSA-N 1 3 286.366 3.266 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)CN ZINC000093873170 165338084 /nfs/dbraw/zinc/33/80/84/165338084.db2.gz NPTKLWMKTHNJMB-LLVKDONJSA-N 1 3 286.366 3.266 20 0 CGADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000261571513 165818159 /nfs/dbraw/zinc/81/81/59/165818159.db2.gz RHWOAIIMTHMQOC-UHDSXZAQSA-N 1 3 264.457 3.323 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000120098018 287178000 /nfs/dbraw/zinc/17/80/00/287178000.db2.gz YDSFTGIOXBVFMK-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000120098018 287178003 /nfs/dbraw/zinc/17/80/03/287178003.db2.gz YDSFTGIOXBVFMK-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO CC1CC[NH+](C[C@H]2CCCN(C3CCCC3)C2)CC1 ZINC000120098018 287178006 /nfs/dbraw/zinc/17/80/06/287178006.db2.gz YDSFTGIOXBVFMK-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000121203964 287194371 /nfs/dbraw/zinc/19/43/71/287194371.db2.gz QHWGXRKHENLXEB-XYJFISCASA-N 1 3 274.452 3.430 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121203964 287194377 /nfs/dbraw/zinc/19/43/77/287194377.db2.gz QHWGXRKHENLXEB-XYJFISCASA-N 1 3 274.452 3.430 20 0 CGADHO C[C@@H]1CSC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000370580787 297188120 /nfs/dbraw/zinc/18/81/20/297188120.db2.gz XNGOQUJYKOYFSK-HDEZJCGLSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@@H]1CSC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000370580787 297188123 /nfs/dbraw/zinc/18/81/23/297188123.db2.gz XNGOQUJYKOYFSK-HDEZJCGLSA-N 1 3 296.524 3.371 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000038097993 174112329 /nfs/dbraw/zinc/11/23/29/174112329.db2.gz SAYWTFIGMBYTFZ-GFCCVEGCSA-N 1 3 298.377 3.423 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(C)CC2)CC1 ZINC000358180582 287287749 /nfs/dbraw/zinc/28/77/49/287287749.db2.gz AQCVDAVGVXVFAO-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(C)CC2)CC1 ZINC000358180582 287287751 /nfs/dbraw/zinc/28/77/51/287287751.db2.gz AQCVDAVGVXVFAO-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC23CC3)CC1 ZINC000424315219 287289369 /nfs/dbraw/zinc/28/93/69/287289369.db2.gz DHEWZJZCXQCRPY-KBMXLJTQSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000424315219 287289370 /nfs/dbraw/zinc/28/93/70/287289370.db2.gz DHEWZJZCXQCRPY-KBMXLJTQSA-N 1 3 262.441 3.172 20 0 CGADHO C(CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)CC1CCOCC1 ZINC000313814418 416536549 /nfs/dbraw/zinc/53/65/49/416536549.db2.gz SEIWGASVYRLTGF-ROUUACIJSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCc2ccccc2)[C@H]1CCN ZINC000404412397 416554468 /nfs/dbraw/zinc/55/44/68/416554468.db2.gz YQQVUUPGUVIRHF-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCc2ccccc2)[C@H]1CCN ZINC000404412397 416554472 /nfs/dbraw/zinc/55/44/72/416554472.db2.gz YQQVUUPGUVIRHF-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1CCC[N@H+](CCCOCc2ccccc2)[C@@H]1CCN ZINC000404411883 416555093 /nfs/dbraw/zinc/55/50/93/416555093.db2.gz YIZAFGAFBCOAOS-FUHWJXTLSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCOCc2ccccc2)[C@@H]1CCN ZINC000404411883 416555095 /nfs/dbraw/zinc/55/50/95/416555095.db2.gz YIZAFGAFBCOAOS-FUHWJXTLSA-N 1 3 290.451 3.043 20 0 CGADHO CCOc1cccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404443642 416555414 /nfs/dbraw/zinc/55/54/14/416555414.db2.gz WCCDLMLGJKLSKX-RHSMWYFYSA-N 1 3 276.424 3.035 20 0 CGADHO CC[C@@H]1CN(Cc2ccccc2C2CC2)CC[C@@H]1[NH3+] ZINC000122401494 416504797 /nfs/dbraw/zinc/50/47/97/416504797.db2.gz DBRZLOWNGJDLAF-DYVFJYSZSA-N 1 3 258.409 3.123 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682073949 543820409 /nfs/dbraw/zinc/82/04/09/543820409.db2.gz POZDIENGYDUADV-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682073949 543820410 /nfs/dbraw/zinc/82/04/10/543820410.db2.gz POZDIENGYDUADV-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470072 544076583 /nfs/dbraw/zinc/07/65/83/544076583.db2.gz OWJXFOUXACAFFC-DOMZBBRYSA-N 1 3 282.378 3.396 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(C(F)F)cc1 ZINC000685470072 544076586 /nfs/dbraw/zinc/07/65/86/544076586.db2.gz OWJXFOUXACAFFC-DOMZBBRYSA-N 1 3 282.378 3.396 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650741621 418936372 /nfs/dbraw/zinc/93/63/72/418936372.db2.gz HVDNLCRIAKWXTL-RHQZKXFESA-N 1 3 284.447 3.361 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000650741533 418936452 /nfs/dbraw/zinc/93/64/52/418936452.db2.gz GADNRBUEOFMOJN-KCUHQSDYSA-N 1 3 294.442 3.399 20 0 CGADHO C[C@H]1CCCN(CCCCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000652356271 418956049 /nfs/dbraw/zinc/95/60/49/418956049.db2.gz ZEJZSPJGCYLMGG-NWDGAFQWSA-N 1 3 266.351 3.168 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653560949 419047439 /nfs/dbraw/zinc/04/74/39/419047439.db2.gz NBJYIRNVNRROBT-HNNXBMFYSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653560949 419047443 /nfs/dbraw/zinc/04/74/43/419047443.db2.gz NBJYIRNVNRROBT-HNNXBMFYSA-N 1 3 266.473 3.476 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000659847138 419009729 /nfs/dbraw/zinc/00/97/29/419009729.db2.gz UGRHHHDYEFBCAS-IXDOHACOSA-N 1 3 276.468 3.373 20 0 CGADHO C([C@@H]1CC[C@H]2C[C@H]2C1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000659847138 419009736 /nfs/dbraw/zinc/00/97/36/419009736.db2.gz UGRHHHDYEFBCAS-IXDOHACOSA-N 1 3 276.468 3.373 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2noc3ccccc32)c2ccccc21 ZINC000665232962 419086531 /nfs/dbraw/zinc/08/65/31/419086531.db2.gz YMDLGDDQAJJJIF-RDJZCZTQSA-N 1 3 293.370 3.105 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc2occc2c1 ZINC000665238494 419089422 /nfs/dbraw/zinc/08/94/22/419089422.db2.gz ZNDGCAGEOYJDLA-LSDHHAIUSA-N 1 3 258.365 3.040 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H](C)CN(C)C)CC2 ZINC000655769830 419091668 /nfs/dbraw/zinc/09/16/68/419091668.db2.gz PMCACXMODLLNHY-XJKSGUPXSA-N 1 3 260.425 3.078 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@H](C)C[NH+](C)C)CC2 ZINC000655769830 419091669 /nfs/dbraw/zinc/09/16/69/419091669.db2.gz PMCACXMODLLNHY-XJKSGUPXSA-N 1 3 260.425 3.078 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000665282050 419103103 /nfs/dbraw/zinc/10/31/03/419103103.db2.gz POANIENTCCHKAY-USXIJHARSA-N 1 3 275.440 3.071 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000665282050 419103106 /nfs/dbraw/zinc/10/31/06/419103106.db2.gz POANIENTCCHKAY-USXIJHARSA-N 1 3 275.440 3.071 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(Cl)sc2Cl)C1 ZINC000655825123 419109277 /nfs/dbraw/zinc/10/92/77/419109277.db2.gz XQQJYNJWCCTKIW-WAAGHKOSSA-N 1 3 293.263 3.485 20 0 CGADHO CCC(CC)(CN[C@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000665300563 419112150 /nfs/dbraw/zinc/11/21/50/419112150.db2.gz FCLPEVFHGRQAHM-CVEARBPZSA-N 1 3 278.415 3.353 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(N)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660256163 419114782 /nfs/dbraw/zinc/11/47/82/419114782.db2.gz IURZBBYRENYOAD-GOEBONIOSA-N 1 3 287.451 3.011 20 0 CGADHO CCC(CC)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000151290174 287510576 /nfs/dbraw/zinc/51/05/76/287510576.db2.gz HLYGMSQZDSGQCL-CQSZACIVSA-N 1 3 278.440 3.466 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983486 419053078 /nfs/dbraw/zinc/05/30/78/419053078.db2.gz NOFGZDYQFIRYLX-RYQLBKOJSA-N 1 3 296.499 3.386 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983486 419053080 /nfs/dbraw/zinc/05/30/80/419053080.db2.gz NOFGZDYQFIRYLX-RYQLBKOJSA-N 1 3 296.499 3.386 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655688283 419065218 /nfs/dbraw/zinc/06/52/18/419065218.db2.gz UZTMHKFXOYSGEU-QAPCUYQASA-N 1 3 284.447 3.365 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688283 419065221 /nfs/dbraw/zinc/06/52/21/419065221.db2.gz UZTMHKFXOYSGEU-QAPCUYQASA-N 1 3 284.447 3.365 20 0 CGADHO CC[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)[C@@H]1CCCCO1 ZINC000656202117 419149428 /nfs/dbraw/zinc/14/94/28/419149428.db2.gz YZLJROCWFZZZJT-NCOADZHNSA-N 1 3 282.472 3.235 20 0 CGADHO FC1(F)CCC(CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000656456464 419173018 /nfs/dbraw/zinc/17/30/18/419173018.db2.gz IWFCDOYRIAEEJV-UHFFFAOYSA-N 1 3 295.377 3.029 20 0 CGADHO CC(C)C([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000656507376 419179500 /nfs/dbraw/zinc/17/95/00/419179500.db2.gz VBFBLANSDHAXBT-UHFFFAOYSA-N 1 3 275.440 3.321 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172167 419193979 /nfs/dbraw/zinc/19/39/79/419193979.db2.gz NBAJDFZQDDFNOY-SJKOYZFVSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172167 419193981 /nfs/dbraw/zinc/19/39/81/419193981.db2.gz NBAJDFZQDDFNOY-SJKOYZFVSA-N 1 3 294.389 3.274 20 0 CGADHO CC[C@@H]1C[C@@H](NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CO1 ZINC000657384540 419266241 /nfs/dbraw/zinc/26/62/41/419266241.db2.gz UFWSQSXUCIGABL-KBAYOESNSA-N 1 3 290.451 3.054 20 0 CGADHO CC[C@@H]1C[C@@H](NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384540 419266245 /nfs/dbraw/zinc/26/62/45/419266245.db2.gz UFWSQSXUCIGABL-KBAYOESNSA-N 1 3 290.451 3.054 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000661516776 419269619 /nfs/dbraw/zinc/26/96/19/419269619.db2.gz FNTLCHUGGNTIIB-WMLDXEAASA-N 1 3 260.425 3.036 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCC(F)CC1 ZINC000657742823 419335778 /nfs/dbraw/zinc/33/57/78/419335778.db2.gz AYLZFEQMWOYGDZ-WVTZPBJPSA-N 1 3 268.420 3.120 20 0 CGADHO C[C@H]([NH2+]CCCC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000536864034 288507926 /nfs/dbraw/zinc/50/79/26/288507926.db2.gz PRMQUNYRZQRESN-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCCSCC1 ZINC000657867628 419394001 /nfs/dbraw/zinc/39/40/01/419394001.db2.gz IIRGYACXSQWRCB-HNNXBMFYSA-N 1 3 272.502 3.374 20 0 CGADHO CCOC1CCC([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000657874037 419399425 /nfs/dbraw/zinc/39/94/25/419399425.db2.gz XWQIVUDIQGZVOX-GTPINHCMSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662244477 419372319 /nfs/dbraw/zinc/37/23/19/419372319.db2.gz HEBCUIPYKTTWSW-XIRDDKMYSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662244477 419372323 /nfs/dbraw/zinc/37/23/23/419372323.db2.gz HEBCUIPYKTTWSW-XIRDDKMYSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000662244477 419372328 /nfs/dbraw/zinc/37/23/28/419372328.db2.gz HEBCUIPYKTTWSW-XIRDDKMYSA-N 1 3 272.436 3.166 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CCCCC1(C)C ZINC000662276579 419381981 /nfs/dbraw/zinc/38/19/81/419381981.db2.gz KPDKUZLWROMJAM-ZIAGYGMSSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccccc1[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000662279632 419382985 /nfs/dbraw/zinc/38/29/85/419382985.db2.gz ANFYNWYTJJCWEM-HNNXBMFYSA-N 1 3 280.415 3.492 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840827 419383930 /nfs/dbraw/zinc/38/39/30/419383930.db2.gz KUPSSDLYYIIZHH-VXGBXAGGSA-N 1 3 283.366 3.012 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034221 419512179 /nfs/dbraw/zinc/51/21/79/419512179.db2.gz DZNUIOLKSHVUPH-CHWSQXEVSA-N 1 3 297.393 3.402 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034221 419512185 /nfs/dbraw/zinc/51/21/85/419512185.db2.gz DZNUIOLKSHVUPH-CHWSQXEVSA-N 1 3 297.393 3.402 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC34CC4)CC2)ccn1 ZINC000658165890 419632507 /nfs/dbraw/zinc/63/25/07/419632507.db2.gz SLVUAQFVCYRMFP-SFHVURJKSA-N 1 3 299.462 3.216 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccco1 ZINC000658169173 419635878 /nfs/dbraw/zinc/63/58/78/419635878.db2.gz ZSPHSXHPEQGIOX-OAHLLOKOSA-N 1 3 299.418 3.237 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CN3)C[C@H](c2ccccc2)C1 ZINC000663497132 419636790 /nfs/dbraw/zinc/63/67/90/419636790.db2.gz CHSBABVYHSWIPT-QSTVPMLBSA-N 1 3 284.447 3.300 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@H]1C[C@@H]1C ZINC000663466377 419616815 /nfs/dbraw/zinc/61/68/15/419616815.db2.gz RYKKIRQBCYCZCE-HJWJTTGWSA-N 1 3 264.457 3.133 20 0 CGADHO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663465203 419618011 /nfs/dbraw/zinc/61/80/11/419618011.db2.gz IQCIYYKLEUQKKO-IKGGRYGDSA-N 1 3 282.447 3.226 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467583 419621269 /nfs/dbraw/zinc/62/12/69/419621269.db2.gz GURDRTIXGFJTOB-LPHOPBHVSA-N 1 3 284.447 3.386 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000663470671 419626999 /nfs/dbraw/zinc/62/69/99/419626999.db2.gz WGMXPNVBUCNNHC-HIFRSBDPSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658179086 419645308 /nfs/dbraw/zinc/64/53/08/419645308.db2.gz DXEIDGJUUCHUPE-SZMVWBNQSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000658179086 419645315 /nfs/dbraw/zinc/64/53/15/419645315.db2.gz DXEIDGJUUCHUPE-SZMVWBNQSA-N 1 3 296.499 3.026 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000085386169 260203339 /nfs/dbraw/zinc/20/33/39/260203339.db2.gz UFTAORSVOZSVSD-CABCVRRESA-N 1 3 282.472 3.043 20 0 CGADHO CCc1ccc(CCN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000525517808 260230639 /nfs/dbraw/zinc/23/06/39/260230639.db2.gz GKFACRJJVNJMJN-SFHVURJKSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccc(CCN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000525517808 260230638 /nfs/dbraw/zinc/23/06/38/260230638.db2.gz GKFACRJJVNJMJN-SFHVURJKSA-N 1 3 274.452 3.065 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000423296042 274213974 /nfs/dbraw/zinc/21/39/74/274213974.db2.gz GBVZFCFNAYZARX-NHYWBVRUSA-N 1 3 266.816 3.292 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390586582 262223327 /nfs/dbraw/zinc/22/33/27/262223327.db2.gz NJNDVCSFRVRXKP-ZWKOTPCHSA-N 1 3 290.451 3.091 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)CN1CCCC1 ZINC000222068895 262317498 /nfs/dbraw/zinc/31/74/98/262317498.db2.gz DGLOHPLPSBYPPO-LVQVYYBASA-N 1 3 252.446 3.133 20 0 CGADHO COCCCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103228982 270045659 /nfs/dbraw/zinc/04/56/59/270045659.db2.gz SKDIKXTXTFJRPU-GOSISDBHSA-N 1 3 296.499 3.391 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000227911195 270087628 /nfs/dbraw/zinc/08/76/28/270087628.db2.gz KOBWNALZDHYNLB-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000227911195 270087629 /nfs/dbraw/zinc/08/76/29/270087629.db2.gz KOBWNALZDHYNLB-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO Cc1ccsc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000521045481 270100142 /nfs/dbraw/zinc/10/01/42/270100142.db2.gz SQYUKRUFXIKQHW-GFCCVEGCSA-N 1 3 260.406 3.366 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527692128 270132111 /nfs/dbraw/zinc/13/21/11/270132111.db2.gz QEQFSJNLCDGMGG-FSDCSDTHSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1CC12CC2 ZINC000527866150 270140818 /nfs/dbraw/zinc/14/08/18/270140818.db2.gz OFWXORHHHDZQTK-CZUORRHYSA-N 1 3 262.441 3.172 20 0 CGADHO CC1(C)CC(CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000528385488 270163073 /nfs/dbraw/zinc/16/30/73/270163073.db2.gz ADHNVMCRWSGCME-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO CC1(C)CC(C[N@@H+]2CCC[C@H](N3CCCC3)CC2)C1 ZINC000528385488 270163074 /nfs/dbraw/zinc/16/30/74/270163074.db2.gz ADHNVMCRWSGCME-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO CC1(C)CC(C[N@H+]2CCC[C@H](N3CCCC3)CC2)C1 ZINC000528385488 270163075 /nfs/dbraw/zinc/16/30/75/270163075.db2.gz ADHNVMCRWSGCME-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO C/C(Cl)=C\CN1CCC(CCC[NH+](C)C)CC1 ZINC000528434065 270165557 /nfs/dbraw/zinc/16/55/57/270165557.db2.gz UOADIENEFMYEKG-AWNIVKPZSA-N 1 3 258.837 3.183 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000530215757 270195846 /nfs/dbraw/zinc/19/58/46/270195846.db2.gz IRAOHOYSEUFNBC-IWCQGFGOSA-N 1 3 270.420 3.053 20 0 CGADHO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217683 270196247 /nfs/dbraw/zinc/19/62/47/270196247.db2.gz VPUOHJVGVIVMAF-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217683 270196248 /nfs/dbraw/zinc/19/62/48/270196248.db2.gz VPUOHJVGVIVMAF-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000530223329 270196592 /nfs/dbraw/zinc/19/65/92/270196592.db2.gz UAZOZHIVGAEOEN-GUTXKFCHSA-N 1 3 264.800 3.187 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000531699336 270209025 /nfs/dbraw/zinc/20/90/25/270209025.db2.gz MGDVXZXHPIUPED-SJLPKXTDSA-N 1 3 290.451 3.295 20 0 CGADHO COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCCC[C@@H]3CN)C2)c1 ZINC000423154049 274149532 /nfs/dbraw/zinc/14/95/32/274149532.db2.gz IOIUFFNBLHTGNX-YFHUEUNASA-N 1 3 288.435 3.048 20 0 CGADHO C[C@@H](CCN)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414895189 274209538 /nfs/dbraw/zinc/20/95/38/274209538.db2.gz MUBIKPLKQQHRKQ-JTQLQIEISA-N 1 3 275.223 3.253 20 0 CGADHO C[C@@H](CC[NH3+])NCCCc1c(Cl)cccc1Cl ZINC000414895189 274209542 /nfs/dbraw/zinc/20/95/42/274209542.db2.gz MUBIKPLKQQHRKQ-JTQLQIEISA-N 1 3 275.223 3.253 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423452053 274239953 /nfs/dbraw/zinc/23/99/53/274239953.db2.gz VVUHMFHANVBRLD-VWYCJHECSA-N 1 3 252.427 3.013 20 0 CGADHO C[C@@H](N[C@@H](C)Cc1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000423009273 274255014 /nfs/dbraw/zinc/25/50/14/274255014.db2.gz CKZHMGDONKTCJH-VHSXEESVSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)Cc1c(Cl)cccc1Cl)C1CNC1 ZINC000423009273 274255015 /nfs/dbraw/zinc/25/50/15/274255015.db2.gz CKZHMGDONKTCJH-VHSXEESVSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H](N)C2CC2)c2sccc21 ZINC000423310684 274318078 /nfs/dbraw/zinc/31/80/78/274318078.db2.gz ARNVIZYWUUNPPY-WQAKAFBOSA-N 1 3 250.411 3.013 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000474879065 276331184 /nfs/dbraw/zinc/33/11/84/276331184.db2.gz LYTYWFJWEUKRAP-FGTMMUONSA-N 1 3 296.499 3.149 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422740176 276672134 /nfs/dbraw/zinc/67/21/34/276672134.db2.gz AXNWYTGCDRUWDY-ZQIUZPCESA-N 1 3 260.425 3.288 20 0 CGADHO CCc1nc2c(s1)[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000331867551 276702116 /nfs/dbraw/zinc/70/21/16/276702116.db2.gz ZTSCBPLOGSXWLK-JHJVBQTASA-N 1 3 293.480 3.190 20 0 CGADHO COC1(C[C@@H](C)[NH2+]CCCN2CCC(C)CC2)CCC1 ZINC000429361656 277188817 /nfs/dbraw/zinc/18/88/17/277188817.db2.gz KOXZAWLFRGCIEJ-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000414851373 277341308 /nfs/dbraw/zinc/34/13/08/277341308.db2.gz JCAAMAZUGGMYFP-JWMHWRSXSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000422909382 278227581 /nfs/dbraw/zinc/22/75/81/278227581.db2.gz FTECFAHZIVZSGK-RYUDHWBXSA-N 1 3 281.469 3.190 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1CN ZINC000397427469 288023782 /nfs/dbraw/zinc/02/37/82/288023782.db2.gz YGSNDVLQIDDYQW-XJFOESAGSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1CN ZINC000397427469 288023783 /nfs/dbraw/zinc/02/37/83/288023783.db2.gz YGSNDVLQIDDYQW-XJFOESAGSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H](CC[NH2+]C1CC2(CCC2)C1)N1CCCCC1 ZINC000459472087 278233488 /nfs/dbraw/zinc/23/34/88/278233488.db2.gz CJAGKTPDCOMRJP-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1CC1(C)C ZINC000397561278 288024390 /nfs/dbraw/zinc/02/43/90/288024390.db2.gz ARQIPDMHCQOHSJ-QPSCCSFWSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C1CC1 ZINC000449438783 278336185 /nfs/dbraw/zinc/33/61/85/278336185.db2.gz DYDAXLFWEGVKJR-JJRVBVJISA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cc2c(s1)CCCC2 ZINC000423330662 278340637 /nfs/dbraw/zinc/34/06/37/278340637.db2.gz PPDUSLNCBDQWNK-LLVKDONJSA-N 1 3 264.438 3.159 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000294889885 279137507 /nfs/dbraw/zinc/13/75/07/279137507.db2.gz YIBRLZJLHQPJCO-HDMKZQKVSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000422799575 279349242 /nfs/dbraw/zinc/34/92/42/279349242.db2.gz XKBKNRAGGKUEEK-XFBWCDHKSA-N 1 3 282.378 3.318 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000344127079 288159915 /nfs/dbraw/zinc/15/99/15/288159915.db2.gz YSJZRYIDOWHNDQ-FJIDUMEYSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000344127083 288160278 /nfs/dbraw/zinc/16/02/78/288160278.db2.gz YSJZRYIDOWHNDQ-TVFCKZIOSA-N 1 3 296.499 3.292 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527325347 288166604 /nfs/dbraw/zinc/16/66/04/288166604.db2.gz XXEDOHMBGNMJHY-MAUKXSAKSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccccc1CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527325347 288166608 /nfs/dbraw/zinc/16/66/08/288166608.db2.gz XXEDOHMBGNMJHY-MAUKXSAKSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527325350 288166715 /nfs/dbraw/zinc/16/67/15/288166715.db2.gz XXEDOHMBGNMJHY-YJBOKZPZSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527325350 288166717 /nfs/dbraw/zinc/16/67/17/288166717.db2.gz XXEDOHMBGNMJHY-YJBOKZPZSA-N 1 3 274.452 3.411 20 0 CGADHO COc1ccc(C(C)(C)[NH2+]CC[C@@H]2CCCN2C)cc1F ZINC000528676684 288215890 /nfs/dbraw/zinc/21/58/90/288215890.db2.gz VSYZBDFFQYKQSL-AWEZNQCLSA-N 1 3 294.414 3.143 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000262022068 280376733 /nfs/dbraw/zinc/37/67/33/280376733.db2.gz WHAFCPPNAQABMI-RYUDHWBXSA-N 1 3 286.341 3.183 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CN[C@H]1CCCC12CCC2 ZINC000423391379 281001632 /nfs/dbraw/zinc/00/16/32/281001632.db2.gz PGTPAWULJZZZHF-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530210356 288300094 /nfs/dbraw/zinc/30/00/94/288300094.db2.gz JZKKUHBMKRDRMB-WBVHZDCISA-N 1 3 264.457 3.310 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCCC1(C)C ZINC000530209380 288300147 /nfs/dbraw/zinc/30/01/47/288300147.db2.gz JESWFFQSEFLPJA-KFWWJZLASA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530178331 288295306 /nfs/dbraw/zinc/29/53/06/288295306.db2.gz KFHDBHHDQCAYMQ-HIFRSBDPSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530178335 288295504 /nfs/dbraw/zinc/29/55/04/288295504.db2.gz KFHDBHHDQCAYMQ-ZFWWWQNUSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2n1 ZINC000262456419 281142577 /nfs/dbraw/zinc/14/25/77/281142577.db2.gz IDNNBJNBDWFDCQ-BZSNNMDCSA-N 1 3 295.430 3.102 20 0 CGADHO CC1(C)CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530179823 288296824 /nfs/dbraw/zinc/29/68/24/288296824.db2.gz YCSRTYBJPWADLD-AWEZNQCLSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000333243527 281417430 /nfs/dbraw/zinc/41/74/30/281417430.db2.gz FHEWQLJOEIKBIY-NCOADZHNSA-N 1 3 287.451 3.276 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCOCC1 ZINC000532442737 288361151 /nfs/dbraw/zinc/36/11/51/288361151.db2.gz IFUJRZAHBRPZIA-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCc2c1cccc2F ZINC000422760662 281894127 /nfs/dbraw/zinc/89/41/27/281894127.db2.gz LBIJRNFFNXFUJI-SGTLLEGYSA-N 1 3 299.393 3.326 20 0 CGADHO CCn1cc([C@@H](C)NCCCC[NH+]2CCC(C)CC2)cn1 ZINC000158158908 288704075 /nfs/dbraw/zinc/70/40/75/288704075.db2.gz NSAOWOLTWBLNFC-MRXNPFEDSA-N 1 3 292.471 3.066 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCCC1 ZINC000541557771 288707427 /nfs/dbraw/zinc/70/74/27/288707427.db2.gz UGTHHOHKVWJXHD-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000549550363 289046296 /nfs/dbraw/zinc/04/62/96/289046296.db2.gz GZBCSFFYIAJYDP-MUMAZLPKSA-N 1 3 272.436 3.410 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000549550363 289046298 /nfs/dbraw/zinc/04/62/98/289046298.db2.gz GZBCSFFYIAJYDP-MUMAZLPKSA-N 1 3 272.436 3.410 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000554385497 289280302 /nfs/dbraw/zinc/28/03/02/289280302.db2.gz ALRKSSLAOFNRDG-AIANPOQGSA-N 1 3 264.457 3.418 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000449168775 289303969 /nfs/dbraw/zinc/30/39/69/289303969.db2.gz FGMDAXPVRARHBV-KFWWJZLASA-N 1 3 250.430 3.172 20 0 CGADHO C1CC1[C@H]1CC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000562040826 289669894 /nfs/dbraw/zinc/66/98/94/289669894.db2.gz BVYGSXXGQAMOHX-IAGOWNOFSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1N(C)C ZINC000423374982 289981810 /nfs/dbraw/zinc/98/18/10/289981810.db2.gz IMOMGYBYKGNFFB-AWEZNQCLSA-N 1 3 295.430 3.207 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423406854 533693764 /nfs/dbraw/zinc/69/37/64/533693764.db2.gz ZGLXDIADTRKDFL-ZDUSSCGKSA-N 1 3 286.444 3.462 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCSc2ccc(F)cc21 ZINC000227131133 295257546 /nfs/dbraw/zinc/25/75/46/295257546.db2.gz XEUQCHLLNOBGMD-ZLKJLUDKSA-N 1 3 280.412 3.080 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000093215978 295313779 /nfs/dbraw/zinc/31/37/79/295313779.db2.gz MCBAEONAQKFKOT-OLZOCXBDSA-N 1 3 272.314 3.065 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000261562957 297108196 /nfs/dbraw/zinc/10/81/96/297108196.db2.gz GQNHQAVWYVXBFS-ILXRZTDVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](CC(=O)OC(C)(C)C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000183676149 298315998 /nfs/dbraw/zinc/31/59/98/298315998.db2.gz XLJWJXQPLZKEHZ-GFCCVEGCSA-N 1 3 298.471 3.006 20 0 CGADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000183676149 298316001 /nfs/dbraw/zinc/31/60/01/298316001.db2.gz XLJWJXQPLZKEHZ-GFCCVEGCSA-N 1 3 298.471 3.006 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000414825079 298959950 /nfs/dbraw/zinc/95/99/50/298959950.db2.gz RWQGKYPVZUVBGJ-NUEKZKHPSA-N 1 3 252.446 3.452 20 0 CGADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](C)CN(C)C)CCCO2 ZINC000425944612 301210168 /nfs/dbraw/zinc/21/01/68/301210168.db2.gz NNPJRNDYCPJPIZ-YOEHRIQHSA-N 1 3 290.451 3.304 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346852721 302150848 /nfs/dbraw/zinc/15/08/48/302150848.db2.gz XGBZPWUQSCQDKO-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346852721 302150851 /nfs/dbraw/zinc/15/08/51/302150851.db2.gz XGBZPWUQSCQDKO-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO CCNCCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000563616462 322003855 /nfs/dbraw/zinc/00/38/55/322003855.db2.gz NNOWSEAUYYPZIG-UHFFFAOYSA-N 1 3 260.425 3.302 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000563880376 322014209 /nfs/dbraw/zinc/01/42/09/322014209.db2.gz HENFUIXSFMLSMH-NWDGAFQWSA-N 1 3 289.448 3.192 20 0 CGADHO Cc1ccccc1C[C@H](C)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000564097928 322020773 /nfs/dbraw/zinc/02/07/73/322020773.db2.gz FSBFDBXJNTZKHH-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccccc1C[C@H](C)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000564097928 322020775 /nfs/dbraw/zinc/02/07/75/322020775.db2.gz FSBFDBXJNTZKHH-WMZOPIPTSA-N 1 3 274.452 3.342 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000565487366 322080016 /nfs/dbraw/zinc/08/00/16/322080016.db2.gz UBNNTORHRXYBEL-CQSZACIVSA-N 1 3 266.388 3.183 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C[C@@H](C)O1 ZINC000566355610 322117298 /nfs/dbraw/zinc/11/72/98/322117298.db2.gz HPDCRJDFKNASRR-QBPKDAKJSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(C)c1 ZINC000566529517 322128605 /nfs/dbraw/zinc/12/86/05/322128605.db2.gz MAKLEFZMWGMWKF-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(C)c1 ZINC000566529517 322128608 /nfs/dbraw/zinc/12/86/08/322128608.db2.gz MAKLEFZMWGMWKF-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000567167246 322152870 /nfs/dbraw/zinc/15/28/70/322152870.db2.gz JZADTFFCESUJLK-DGADGQDISA-N 1 3 268.420 3.168 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000567198842 322153816 /nfs/dbraw/zinc/15/38/16/322153816.db2.gz FQHBMUDXOFFDNG-BRWVUGGUSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000567198842 322153817 /nfs/dbraw/zinc/15/38/17/322153817.db2.gz FQHBMUDXOFFDNG-BRWVUGGUSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCC(F)(F)F)C1 ZINC000567429734 322163090 /nfs/dbraw/zinc/16/30/90/322163090.db2.gz ZTNCJDWPIZPTRQ-VXGBXAGGSA-N 1 3 266.351 3.037 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1C(F)(F)F ZINC000569103691 322234822 /nfs/dbraw/zinc/23/48/22/322234822.db2.gz QIWMEGCYGCGCTQ-QWRGUYRKSA-N 1 3 274.330 3.229 20 0 CGADHO CCN1CCN(CCCC[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000573227107 322377107 /nfs/dbraw/zinc/37/71/07/322377107.db2.gz FZPQWMHNXRJKBS-KRWDZBQOSA-N 1 3 297.531 3.209 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCC[C@@H](N)C3)CC2)c(C)c1 ZINC000573505778 322391793 /nfs/dbraw/zinc/39/17/93/322391793.db2.gz MCPPMJGZEOEFMD-CVEARBPZSA-N 1 3 272.436 3.195 20 0 CGADHO Cc1ccc(C2(CN[C@H]3CCC[C@@H]([NH3+])C3)CC2)c(C)c1 ZINC000573505778 322391794 /nfs/dbraw/zinc/39/17/94/322391794.db2.gz MCPPMJGZEOEFMD-CVEARBPZSA-N 1 3 272.436 3.195 20 0 CGADHO C[C@H](OCCC[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000574170170 322427559 /nfs/dbraw/zinc/42/75/59/322427559.db2.gz LGRHOBOOLKOXRW-BHYGNILZSA-N 1 3 276.424 3.014 20 0 CGADHO C[C@H](OCCC[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000574170181 322427566 /nfs/dbraw/zinc/42/75/66/322427566.db2.gz LGRHOBOOLKOXRW-XIRDDKMYSA-N 1 3 276.424 3.014 20 0 CGADHO [NH3+]CCC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000574577788 322447950 /nfs/dbraw/zinc/44/79/50/322447950.db2.gz IIDDGWNVOTYNEN-MRXNPFEDSA-N 1 3 278.827 3.388 20 0 CGADHO Cc1nc2ccccc2c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000582749661 329140259 /nfs/dbraw/zinc/14/02/59/329140259.db2.gz YRCGQFSSEVGHPL-OAHLLOKOSA-N 1 3 295.430 3.170 20 0 CGADHO Cc1nc2ccccc2c(NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000582749661 329140260 /nfs/dbraw/zinc/14/02/60/329140260.db2.gz YRCGQFSSEVGHPL-OAHLLOKOSA-N 1 3 295.430 3.170 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1ccc(F)cc1F ZINC000395656266 329293857 /nfs/dbraw/zinc/29/38/57/329293857.db2.gz VQHALCPCRBFTBU-UHFFFAOYSA-N 1 3 270.367 3.175 20 0 CGADHO CC(F)(F)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000582975971 329297784 /nfs/dbraw/zinc/29/77/84/329297784.db2.gz SQTNSHFYXVZNBU-KBPBESRZSA-N 1 3 268.351 3.158 20 0 CGADHO C1=C(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000379575136 330135021 /nfs/dbraw/zinc/13/50/21/330135021.db2.gz XLONEACCUKSRJC-IXDOHACOSA-N 1 3 262.441 3.387 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000578750022 335669716 /nfs/dbraw/zinc/66/97/16/335669716.db2.gz XNMIJKTYRXUJIF-KDOFPFPSSA-N 1 3 284.403 3.011 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCC(C)(C)C ZINC000581245510 336030921 /nfs/dbraw/zinc/03/09/21/336030921.db2.gz FVMJSBWSUWQGJO-GFCCVEGCSA-N 1 3 263.429 3.326 20 0 CGADHO C(C1CCCCCC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000581489276 336088357 /nfs/dbraw/zinc/08/83/57/336088357.db2.gz SSJJTVFYNPNTHR-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO C(C1CCCCCC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000581489276 336088358 /nfs/dbraw/zinc/08/83/58/336088358.db2.gz SSJJTVFYNPNTHR-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO CCCCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000383380158 336108208 /nfs/dbraw/zinc/10/82/08/336108208.db2.gz MNLMKZSQPYTWPE-HNNXBMFYSA-N 1 3 278.440 3.153 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180164 533897855 /nfs/dbraw/zinc/89/78/55/533897855.db2.gz LIYCBDKGFNGZGZ-IDTSFGKNSA-N 1 3 296.817 3.265 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180164 533897861 /nfs/dbraw/zinc/89/78/61/533897861.db2.gz LIYCBDKGFNGZGZ-IDTSFGKNSA-N 1 3 296.817 3.265 20 0 CGADHO CS[C@@H]1CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358768639 533997628 /nfs/dbraw/zinc/99/76/28/533997628.db2.gz GCWYCYZHGUPPKH-HZPDHXFCSA-N 1 3 282.497 3.267 20 0 CGADHO CS[C@@H]1CC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358768639 533997638 /nfs/dbraw/zinc/99/76/38/533997638.db2.gz GCWYCYZHGUPPKH-HZPDHXFCSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000423392232 534007128 /nfs/dbraw/zinc/00/71/28/534007128.db2.gz LMHKPAIFDWZMHZ-VCBZYWHSSA-N 1 3 295.430 3.397 20 0 CGADHO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423358810 534102997 /nfs/dbraw/zinc/10/29/97/534102997.db2.gz NWWBLZOKNXLGQY-CQSZACIVSA-N 1 3 296.414 3.019 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)CN(C)C ZINC000425945497 534124242 /nfs/dbraw/zinc/12/42/42/534124242.db2.gz RCVOXWHCFDXESS-KBAYOESNSA-N 1 3 274.452 3.284 20 0 CGADHO C[C@@H](CO)[C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449165739 534141094 /nfs/dbraw/zinc/14/10/94/534141094.db2.gz XLJUXCHFERMCQQ-LSDHHAIUSA-N 1 3 298.515 3.272 20 0 CGADHO CCCCN1CCC([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184326989 520578416 /nfs/dbraw/zinc/57/84/16/520578416.db2.gz WOHBEMFLRHBGLJ-OAHLLOKOSA-N 1 3 275.440 3.305 20 0 CGADHO Cc1cccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c1F ZINC000449323715 534712130 /nfs/dbraw/zinc/71/21/30/534712130.db2.gz AUCDMSSELUNXBA-MRXNPFEDSA-N 1 3 290.426 3.298 20 0 CGADHO Cc1ncc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000423511960 534750527 /nfs/dbraw/zinc/75/05/27/534750527.db2.gz UEWWTDFRZWKGFU-RDTXWAMCSA-N 1 3 298.434 3.224 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643693 524024981 /nfs/dbraw/zinc/02/49/81/524024981.db2.gz ZDWVWMCGGBVJDX-ZBFHGGJFSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000037643693 524024985 /nfs/dbraw/zinc/02/49/85/524024985.db2.gz ZDWVWMCGGBVJDX-ZBFHGGJFSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000037643693 524024989 /nfs/dbraw/zinc/02/49/89/524024989.db2.gz ZDWVWMCGGBVJDX-ZBFHGGJFSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc2ccccc2o1 ZINC000049553465 525597014 /nfs/dbraw/zinc/59/70/14/525597014.db2.gz LORALXNFWPYGIS-QWHCGFSZSA-N 1 3 260.381 3.424 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000414290633 526661444 /nfs/dbraw/zinc/66/14/44/526661444.db2.gz AFJVSVUAIQXDKS-JONQDZQNSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423383656 526733244 /nfs/dbraw/zinc/73/32/44/526733244.db2.gz KNHFEHFLNJIQJQ-HOTGVXAUSA-N 1 3 258.409 3.204 20 0 CGADHO C(CC1CCOCC1)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000368650720 527477364 /nfs/dbraw/zinc/47/73/64/527477364.db2.gz RERUQGVOIQWAGA-SFHVURJKSA-N 1 3 294.483 3.144 20 0 CGADHO C(CCN1CC[C@H](C[NH+]2CCCC2)C1)CC1CCOCC1 ZINC000369204504 527478817 /nfs/dbraw/zinc/47/88/17/527478817.db2.gz OSCVVCDDZSJSEJ-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC[N@@H+]1CC[C@H](CN2CCCC2)C1)CC1CCOCC1 ZINC000369204504 527478822 /nfs/dbraw/zinc/47/88/22/527478822.db2.gz OSCVVCDDZSJSEJ-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC[N@H+]1CC[C@H](CN2CCCC2)C1)CC1CCOCC1 ZINC000369204504 527478826 /nfs/dbraw/zinc/47/88/26/527478826.db2.gz OSCVVCDDZSJSEJ-GOSISDBHSA-N 1 3 294.483 3.001 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000367127855 527849013 /nfs/dbraw/zinc/84/90/13/527849013.db2.gz VSTSYQGHGCKNLO-ZACQAIPSSA-N 1 3 264.457 3.418 20 0 CGADHO CC1(C)[C@H]([NH2+]CCCNC2CC2)C[C@H]1c1ccccc1 ZINC000423561686 527868872 /nfs/dbraw/zinc/86/88/72/527868872.db2.gz PYBIBYQUAAENOG-DLBZAZTESA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H](NCCC[NH2+]C2CC2)C[C@H]1c1ccccc1 ZINC000423561686 527868878 /nfs/dbraw/zinc/86/88/78/527868878.db2.gz PYBIBYQUAAENOG-DLBZAZTESA-N 1 3 272.436 3.300 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000436469064 528062533 /nfs/dbraw/zinc/06/25/33/528062533.db2.gz UYCBGGSGCLPWQM-QGLXBCBXSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000436469064 528062537 /nfs/dbraw/zinc/06/25/37/528062537.db2.gz UYCBGGSGCLPWQM-QGLXBCBXSA-N 1 3 284.447 3.323 20 0 CGADHO CCC[C@H](CCO)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305174084 528124168 /nfs/dbraw/zinc/12/41/68/528124168.db2.gz UXWHMGWIBCRQRY-MRXNPFEDSA-N 1 3 296.499 3.172 20 0 CGADHO CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000423252332 528144524 /nfs/dbraw/zinc/14/45/24/528144524.db2.gz XOSHNUPMSOGYDR-RCCFBDPRSA-N 1 3 289.467 3.059 20 0 CGADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423252332 528144527 /nfs/dbraw/zinc/14/45/27/528144527.db2.gz XOSHNUPMSOGYDR-RCCFBDPRSA-N 1 3 289.467 3.059 20 0 CGADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423265345 528161226 /nfs/dbraw/zinc/16/12/26/528161226.db2.gz CVOZRFUJOCJDBE-RHSMWYFYSA-N 1 3 278.440 3.355 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1cncs1 ZINC000411552265 528182067 /nfs/dbraw/zinc/18/20/67/528182067.db2.gz PEBNEFNCHIBRRF-GDBMZVCRSA-N 1 3 295.496 3.176 20 0 CGADHO CC(C)CSCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365406595 528211250 /nfs/dbraw/zinc/21/12/50/528211250.db2.gz WJFPSQKXNSDNKJ-OAHLLOKOSA-N 1 3 272.502 3.182 20 0 CGADHO CC(C)CSCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365406595 528211254 /nfs/dbraw/zinc/21/12/54/528211254.db2.gz WJFPSQKXNSDNKJ-OAHLLOKOSA-N 1 3 272.502 3.182 20 0 CGADHO CC(C)CSCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365406595 528211255 /nfs/dbraw/zinc/21/12/55/528211255.db2.gz WJFPSQKXNSDNKJ-OAHLLOKOSA-N 1 3 272.502 3.182 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000449090023 528261819 /nfs/dbraw/zinc/26/18/19/528261819.db2.gz FYWJHRXIXZQIRS-QKPAOTATSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000359646062 528819223 /nfs/dbraw/zinc/81/92/23/528819223.db2.gz TXLTUFATTNRLCA-YOEHRIQHSA-N 1 3 260.425 3.240 20 0 CGADHO CCC(CC)[C@H](CNc1ccnc(C)c1)[NH+]1CCCC1 ZINC000358140693 528851959 /nfs/dbraw/zinc/85/19/59/528851959.db2.gz VHIFXYUHJPQHPT-KRWDZBQOSA-N 1 3 275.440 3.124 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423287153 528953517 /nfs/dbraw/zinc/95/35/17/528953517.db2.gz KQCAFCZGMWWVGA-ABAIWWIYSA-N 1 3 264.388 3.166 20 0 CGADHO CCCC[C@H](CN)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423297168 528957080 /nfs/dbraw/zinc/95/70/80/528957080.db2.gz JASDXEAQBIGILX-BXUZGUMPSA-N 1 3 282.428 3.470 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000414931115 529017153 /nfs/dbraw/zinc/01/71/53/529017153.db2.gz UCDXQHRXPRYNTN-ULQDDVLXSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422814899 529017801 /nfs/dbraw/zinc/01/78/01/529017801.db2.gz WIYKDKCHKBYRIT-NJAFHUGGSA-N 1 3 274.452 3.404 20 0 CGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1cccc(OC)c1 ZINC000423289586 529156259 /nfs/dbraw/zinc/15/62/59/529156259.db2.gz XTQXKIXBVIWYJQ-OAHLLOKOSA-N 1 3 264.413 3.253 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc(Br)cc1 ZINC000423276844 529178874 /nfs/dbraw/zinc/17/88/74/529178874.db2.gz OYDUDQRACVGBIO-UONOGXRCSA-N 1 3 299.256 3.473 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423314417 529247485 /nfs/dbraw/zinc/24/74/85/529247485.db2.gz HCMZGORPXSZWRX-NHYWBVRUSA-N 1 3 264.438 3.187 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411192 536390377 /nfs/dbraw/zinc/39/03/77/536390377.db2.gz DGGAVEFIFMKWBP-ROUUACIJSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411192 536390379 /nfs/dbraw/zinc/39/03/79/536390379.db2.gz DGGAVEFIFMKWBP-ROUUACIJSA-N 1 3 290.426 3.273 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000924529546 618782242 /nfs/dbraw/zinc/78/22/42/618782242.db2.gz VRCMCQCGFYHEHD-CABCVRRESA-N 1 3 295.475 3.020 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@@H]2C[C@H](N)C23CCC3)cc1 ZINC000925516490 619010519 /nfs/dbraw/zinc/01/05/19/619010519.db2.gz UZJSJXLFYHZROC-JKSUJKDBSA-N 1 3 290.476 3.088 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925516490 619010522 /nfs/dbraw/zinc/01/05/22/619010522.db2.gz UZJSJXLFYHZROC-JKSUJKDBSA-N 1 3 290.476 3.088 20 0 CGADHO c1cc(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)cs1 ZINC000925528640 619025984 /nfs/dbraw/zinc/02/59/84/619025984.db2.gz UDTWTJXYDTZBHF-JKSUJKDBSA-N 1 3 278.465 3.049 20 0 CGADHO CC(F)(F)CCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000930805298 619077219 /nfs/dbraw/zinc/07/72/19/619077219.db2.gz FGZQNRROXKJSOM-UHFFFAOYSA-N 1 3 283.366 3.029 20 0 CGADHO CC(F)(F)CCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000930805298 619077221 /nfs/dbraw/zinc/07/72/21/619077221.db2.gz FGZQNRROXKJSOM-UHFFFAOYSA-N 1 3 283.366 3.029 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925639085 619100755 /nfs/dbraw/zinc/10/07/55/619100755.db2.gz JSLLIMOLYKYXFB-IRXDYDNUSA-N 1 3 284.403 3.143 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C12CCC2 ZINC000925658762 619113827 /nfs/dbraw/zinc/11/38/27/619113827.db2.gz ZYHLGYDHCVPUMM-DTZQCDIJSA-N 1 3 290.838 3.446 20 0 CGADHO FC1(F)CC(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925683968 619132433 /nfs/dbraw/zinc/13/24/33/619132433.db2.gz CHWCZVUOYCXFMR-CABCVRRESA-N 1 3 286.410 3.180 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000925708991 619156585 /nfs/dbraw/zinc/15/65/85/619156585.db2.gz MVKRVMFEUVVMCU-DWBZUHSKSA-N 1 3 258.409 3.101 20 0 CGADHO CC[C@H](OCCN[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925714386 619160058 /nfs/dbraw/zinc/16/00/58/619160058.db2.gz XYWAYFVZADRCHS-YESZJQIVSA-N 1 3 288.435 3.014 20 0 CGADHO COc1ccc2nccc(N3CCC[C@@H]([NH+](C)C)CC3)c2c1 ZINC000893493389 619192127 /nfs/dbraw/zinc/19/21/27/619192127.db2.gz YHCPGPYWIGEWER-CQSZACIVSA-N 1 3 299.418 3.164 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2(CC3CC3)CC2)c2ccccc21 ZINC000925733340 619208118 /nfs/dbraw/zinc/20/81/18/619208118.db2.gz GZVDXUPQUFJMIQ-JKSUJKDBSA-N 1 3 256.393 3.301 20 0 CGADHO CC(C)([NH3+])CCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000925739332 619212577 /nfs/dbraw/zinc/21/25/77/619212577.db2.gz WBSNGNYOSIVKRR-XJKSGUPXSA-N 1 3 294.414 3.010 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925779202 619241616 /nfs/dbraw/zinc/24/16/16/619241616.db2.gz MFTCOKRRXYXDGW-SWLSCSKDSA-N 1 3 282.378 3.144 20 0 CGADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCC(C)(F)F ZINC000931765411 619250971 /nfs/dbraw/zinc/25/09/71/619250971.db2.gz XCTAGMXEAVSMGK-CYBMUJFWSA-N 1 3 283.366 3.028 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000925828790 619281300 /nfs/dbraw/zinc/28/13/00/619281300.db2.gz ZYUSPCMNJQDDGX-KWCYVHTRSA-N 1 3 250.361 3.055 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000261559547 619289144 /nfs/dbraw/zinc/28/91/44/619289144.db2.gz DRSOZXUJUWDONS-UTLUCORTSA-N 1 3 260.303 3.092 20 0 CGADHO CC(C)c1nc([C@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000925881498 619306573 /nfs/dbraw/zinc/30/65/73/619306573.db2.gz BWRBJYQDUXERDT-TUAOUCFPSA-N 1 3 267.442 3.045 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000924959694 619462148 /nfs/dbraw/zinc/46/21/48/619462148.db2.gz LISIZWTWXVMVIK-HNSVSWJLSA-N 1 3 282.497 3.123 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@H](C)N(C)C ZINC000895293742 619798717 /nfs/dbraw/zinc/79/87/17/619798717.db2.gz KYNODSXQOKASFN-KGLIPLIRSA-N 1 3 266.404 3.077 20 0 CGADHO CSC(C)(C)C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925186266 620220789 /nfs/dbraw/zinc/22/07/89/620220789.db2.gz AYJWPVJNDUQFJD-UHFFFAOYSA-N 1 3 272.502 3.228 20 0 CGADHO CC1(CN2CCC([NH2+]C3CCC3)CC2)CCCC1 ZINC000897978435 620461709 /nfs/dbraw/zinc/46/17/09/620461709.db2.gz PHVBOTRJTSPIMY-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898322604 620506386 /nfs/dbraw/zinc/50/63/86/620506386.db2.gz NZDYQWGDUSEPPG-QGZVFWFLSA-N 1 3 287.451 3.385 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCCOC2CCCCCC2)C1 ZINC000902331607 621267296 /nfs/dbraw/zinc/26/72/96/621267296.db2.gz UYGWBUVITNHRGF-HNNXBMFYSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392817 621302675 /nfs/dbraw/zinc/30/26/75/621302675.db2.gz NHZUDGDSLHUORZ-HYVNUMGLSA-N 1 3 272.436 3.219 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCc3cc(N)ccc32)C1 ZINC000902394899 621303798 /nfs/dbraw/zinc/30/37/98/621303798.db2.gz XPWDRABKSMHWEG-WBVHZDCISA-N 1 3 287.451 3.014 20 0 CGADHO CC1(C)C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCS1 ZINC000902451077 621330132 /nfs/dbraw/zinc/33/01/32/621330132.db2.gz FJVMQDFENYJAIN-KCPJHIHWSA-N 1 3 276.449 3.395 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([NH2+]C3CCNCC3)CC2)cc1 ZINC000902452581 621330785 /nfs/dbraw/zinc/33/07/85/621330785.db2.gz LNWJJLYYJKJACB-IRXDYDNUSA-N 1 3 272.436 3.445 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452850 621331357 /nfs/dbraw/zinc/33/13/57/621331357.db2.gz MRGPIQNQGGETCY-WGGXSYPISA-N 1 3 294.389 3.460 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2C[C@H](N)c3ccccc32)O1 ZINC000902459544 621335575 /nfs/dbraw/zinc/33/55/75/621335575.db2.gz BYWVVLQPUZTEPG-UHOFOFEASA-N 1 3 274.408 3.069 20 0 CGADHO CN(C)CC1(C[NH2+][C@H](c2ccccn2)C2CC2)CCCC1 ZINC000903151323 621611328 /nfs/dbraw/zinc/61/13/28/621611328.db2.gz DUUOVBTUBSIVEY-KRWDZBQOSA-N 1 3 287.451 3.244 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCCO1 ZINC000903196802 621621809 /nfs/dbraw/zinc/62/18/09/621621809.db2.gz RNPIQUKSFBETCU-MOUFXGFKSA-N 1 3 292.467 3.082 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCCO1 ZINC000903196802 621621812 /nfs/dbraw/zinc/62/18/12/621621812.db2.gz RNPIQUKSFBETCU-MOUFXGFKSA-N 1 3 292.467 3.082 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000903329663 621703473 /nfs/dbraw/zinc/70/34/73/621703473.db2.gz CLNXBURMKVVGRL-YQQAZPJKSA-N 1 3 296.499 3.433 20 0 CGADHO COC(C)(C)[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000903329663 621703475 /nfs/dbraw/zinc/70/34/75/621703475.db2.gz CLNXBURMKVVGRL-YQQAZPJKSA-N 1 3 296.499 3.433 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](N)CC(F)F)c1C ZINC000903895391 621828305 /nfs/dbraw/zinc/82/83/05/621828305.db2.gz NBURHBLZJZDZPH-UKRRQHHQSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](N)CC(F)F)c1C ZINC000903895391 621828307 /nfs/dbraw/zinc/82/83/07/621828307.db2.gz NBURHBLZJZDZPH-UKRRQHHQSA-N 1 3 282.378 3.423 20 0 CGADHO C[C@]1(CN2CCC[C@H]2c2cccs2)CCC[NH2+]C1 ZINC000904303824 621901990 /nfs/dbraw/zinc/90/19/90/621901990.db2.gz IKQUAQXRVAAHEN-ZFWWWQNUSA-N 1 3 264.438 3.275 20 0 CGADHO COc1ccc(CN2CCC(C(C)(C)C[NH3+])CC2)c(F)c1 ZINC000904445263 621924222 /nfs/dbraw/zinc/92/42/22/621924222.db2.gz QNASWEIYDYIJMY-UHFFFAOYSA-N 1 3 294.414 3.031 20 0 CGADHO Cc1cccc(C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000221809316 622807476 /nfs/dbraw/zinc/80/74/76/622807476.db2.gz WURUSEWACPKODO-UHFFFAOYSA-N 1 3 260.425 3.205 20 0 CGADHO C[NH+](C)CC[C@@H](NC[C@H]1CC=CCC1)c1cccnc1 ZINC000922629066 626022366 /nfs/dbraw/zinc/02/23/66/626022366.db2.gz HSBASWYPWWPDBR-DOTOQJQBSA-N 1 3 273.424 3.020 20 0 CGADHO COc1ccc(Cl)cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000839182206 626326484 /nfs/dbraw/zinc/32/64/84/626326484.db2.gz LJTHNOYHHMHKCJ-CYBMUJFWSA-N 1 3 296.842 3.170 20 0 CGADHO COc1ccc(Cl)cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000839182206 626326486 /nfs/dbraw/zinc/32/64/86/626326486.db2.gz LJTHNOYHHMHKCJ-CYBMUJFWSA-N 1 3 296.842 3.170 20 0 CGADHO C[C@H]([NH2+]CCCCCCCO)[C@H]1CCCN(C2CCC2)C1 ZINC000754463357 626572752 /nfs/dbraw/zinc/57/27/52/626572752.db2.gz AEPITNCKFHGPAV-IRXDYDNUSA-N 1 3 296.499 3.172 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@H](C)CSC(C)(C)C ZINC000764807471 627225906 /nfs/dbraw/zinc/22/59/06/627225906.db2.gz WETAGQWIJBIECV-CYBMUJFWSA-N 1 3 260.491 3.227 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@H](C)CSC(C)(C)C ZINC000764807471 627225910 /nfs/dbraw/zinc/22/59/10/627225910.db2.gz WETAGQWIJBIECV-CYBMUJFWSA-N 1 3 260.491 3.227 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000764807471 627225911 /nfs/dbraw/zinc/22/59/11/627225911.db2.gz WETAGQWIJBIECV-CYBMUJFWSA-N 1 3 260.491 3.227 20 0 CGADHO CC[N@@H+]1C[C@H](C)N(c2ccnc3cc(OC)ccc32)C[C@H]1C ZINC000765640854 627264799 /nfs/dbraw/zinc/26/47/99/627264799.db2.gz HPERGHUKTSLCKA-KGLIPLIRSA-N 1 3 299.418 3.162 20 0 CGADHO CC[N@H+]1C[C@H](C)N(c2ccnc3cc(OC)ccc32)C[C@H]1C ZINC000765640854 627264802 /nfs/dbraw/zinc/26/48/02/627264802.db2.gz HPERGHUKTSLCKA-KGLIPLIRSA-N 1 3 299.418 3.162 20 0 CGADHO CCC(CC)(CN[C@H](C)CCO)[NH2+][C@@H](C)c1ccccc1 ZINC000779349057 628409615 /nfs/dbraw/zinc/40/96/15/628409615.db2.gz VEZZDQMSMPRQBO-CVEARBPZSA-N 1 3 292.467 3.257 20 0 CGADHO C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000782181818 628620384 /nfs/dbraw/zinc/62/03/84/628620384.db2.gz YNNHVSQQZNAMKX-HOTGVXAUSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000782181818 628620386 /nfs/dbraw/zinc/62/03/86/628620386.db2.gz YNNHVSQQZNAMKX-HOTGVXAUSA-N 1 3 264.457 3.229 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cncc3ccccc32)CC1 ZINC000789558750 629144901 /nfs/dbraw/zinc/14/49/01/629144901.db2.gz BDRUIJVCKMKCNR-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cncc3ccccc32)CC1 ZINC000789558750 629144903 /nfs/dbraw/zinc/14/49/03/629144903.db2.gz BDRUIJVCKMKCNR-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CC(C)[NH+]1CCC(CCNCc2ccncc2Cl)CC1 ZINC000865717597 630454440 /nfs/dbraw/zinc/45/44/40/630454440.db2.gz FWVKDZFKOKYKFS-UHFFFAOYSA-N 1 3 295.858 3.335 20 0 CGADHO C[C@H](C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)CN(C)C ZINC000813877507 631476619 /nfs/dbraw/zinc/47/66/19/631476619.db2.gz YAIOMBWGPZPKCV-OIISXLGYSA-N 1 3 274.452 3.356 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000817888408 632228897 /nfs/dbraw/zinc/22/88/97/632228897.db2.gz LINOHRWKXUWDCM-DLBZAZTESA-N 1 3 276.424 3.223 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(Cl)nc1 ZINC000817902344 632232858 /nfs/dbraw/zinc/23/28/58/632232858.db2.gz OKYQSQSWPSIQND-UKRRQHHQSA-N 1 3 295.858 3.178 20 0 CGADHO C[C@H](N[C@H](CO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820811042 632680776 /nfs/dbraw/zinc/68/07/76/632680776.db2.gz JTSZEVLQJPGOQU-HNAYVOBHSA-N 1 3 298.430 3.132 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583652 633203850 /nfs/dbraw/zinc/20/38/50/633203850.db2.gz DECZILSMMXVGSR-HFTRVMKXSA-N 1 3 290.426 3.173 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583652 633203855 /nfs/dbraw/zinc/20/38/55/633203855.db2.gz DECZILSMMXVGSR-HFTRVMKXSA-N 1 3 290.426 3.173 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584157 633204059 /nfs/dbraw/zinc/20/40/59/633204059.db2.gz NAYCBOTYGTZYQY-BRWVUGGUSA-N 1 3 258.409 3.164 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584157 633204061 /nfs/dbraw/zinc/20/40/61/633204061.db2.gz NAYCBOTYGTZYQY-BRWVUGGUSA-N 1 3 258.409 3.164 20 0 CGADHO CC1(C)CCNCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000866699987 633232456 /nfs/dbraw/zinc/23/24/56/633232456.db2.gz YCRHTCDEGZGUQR-UHFFFAOYSA-N 1 3 268.351 3.198 20 0 CGADHO CC1(C)CCNCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000866699987 633232461 /nfs/dbraw/zinc/23/24/61/633232461.db2.gz YCRHTCDEGZGUQR-UHFFFAOYSA-N 1 3 268.351 3.198 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)CCC(F)(F)F)C1 ZINC000872023345 633943765 /nfs/dbraw/zinc/94/37/65/633943765.db2.gz GCKYULMXHMYBJA-QWHCGFSZSA-N 1 3 280.378 3.429 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000872124283 634046644 /nfs/dbraw/zinc/04/66/44/634046644.db2.gz ISFUMKKUCASIDG-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO C[C@H]1c2c(F)cccc2CCN1CCCCCC[NH3+] ZINC000846218617 636161368 /nfs/dbraw/zinc/16/13/68/636161368.db2.gz TZAWKTVAMAJTSL-ZDUSSCGKSA-N 1 3 264.388 3.264 20 0 CGADHO c1c[nH]c([C@@H]2CCCN2Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873200980 634284453 /nfs/dbraw/zinc/28/44/53/634284453.db2.gz QNQHDIHHFZGUHI-HNNXBMFYSA-N 1 3 287.432 3.059 20 0 CGADHO C[N@H+](Cc1cc2c(s1)CCNC2)C(C1CC1)C1CC1 ZINC000873204365 634284743 /nfs/dbraw/zinc/28/47/43/634284743.db2.gz BYWQMXZGADKMBA-UHFFFAOYSA-N 1 3 276.449 3.014 20 0 CGADHO C[N@@H+](Cc1cc2c(s1)CCNC2)C(C1CC1)C1CC1 ZINC000873204365 634284746 /nfs/dbraw/zinc/28/47/46/634284746.db2.gz BYWQMXZGADKMBA-UHFFFAOYSA-N 1 3 276.449 3.014 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC[C@H]1C=CCC1 ZINC000873280864 634316570 /nfs/dbraw/zinc/31/65/70/634316570.db2.gz CWWQGXVNRWQAKY-ZFWWWQNUSA-N 1 3 273.424 3.246 20 0 CGADHO c1cnc2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000873285207 634317414 /nfs/dbraw/zinc/31/74/14/634317414.db2.gz ZRTHOXNOLYUGRV-BHIYHBOVSA-N 1 3 295.430 3.245 20 0 CGADHO C(C[NH2+]C1CCN(CC2CCCCC2)CC1)C[C@@H]1CCO1 ZINC000876993306 634945748 /nfs/dbraw/zinc/94/57/48/634945748.db2.gz BUGZMEIGPFKDGP-GOSISDBHSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccnc1Cl ZINC000840807859 635055942 /nfs/dbraw/zinc/05/59/42/635055942.db2.gz HETQRPNAHYKONF-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807859 635055946 /nfs/dbraw/zinc/05/59/46/635055946.db2.gz HETQRPNAHYKONF-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO CN(CCCCCCC[NH3+])Cc1ccc(Cl)nc1 ZINC000842471620 635375543 /nfs/dbraw/zinc/37/55/43/635375543.db2.gz MSOWBSRKJPCNPT-UHFFFAOYSA-N 1 3 269.820 3.076 20 0 CGADHO C=C/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000878411781 635495355 /nfs/dbraw/zinc/49/53/55/635495355.db2.gz NUDQYKBFSGXUGP-SGFLJFKBSA-N 1 3 262.441 3.361 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513058 635538069 /nfs/dbraw/zinc/53/80/69/635538069.db2.gz UEWXJMHJGYDFEW-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513058 635538079 /nfs/dbraw/zinc/53/80/79/635538079.db2.gz UEWXJMHJGYDFEW-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513058 635538083 /nfs/dbraw/zinc/53/80/83/635538083.db2.gz UEWXJMHJGYDFEW-KBPBESRZSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH2+]CCCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000843359077 635653916 /nfs/dbraw/zinc/65/39/16/635653916.db2.gz GSDXTYJZDADWJU-CABCVRRESA-N 1 3 296.480 3.026 20 0 CGADHO Cc1cncc([C@H]2CCC[N@H+]2CC[C@@H]2CCCN2C)c1 ZINC000879749746 635853261 /nfs/dbraw/zinc/85/32/61/635853261.db2.gz KYCNBXLUCWEOKG-DLBZAZTESA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cncc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCN2C)c1 ZINC000879749746 635853262 /nfs/dbraw/zinc/85/32/62/635853262.db2.gz KYCNBXLUCWEOKG-DLBZAZTESA-N 1 3 273.424 3.011 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@H](CF)C1)N1CCC[C@H](CF)C1 ZINC000880233909 635945261 /nfs/dbraw/zinc/94/52/61/635945261.db2.gz AORPDEXHMZSZEU-BZUAXINKSA-N 1 3 288.426 3.128 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@H](CF)C1)N1CCC[C@H](CF)C1 ZINC000880233909 635945265 /nfs/dbraw/zinc/94/52/65/635945265.db2.gz AORPDEXHMZSZEU-BZUAXINKSA-N 1 3 288.426 3.128 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccnc(Cl)c1 ZINC000844924329 635986181 /nfs/dbraw/zinc/98/61/81/635986181.db2.gz KHJDLLCSMLRFQE-LBPRGKRZSA-N 1 3 289.810 3.305 20 0 CGADHO CC1([NH+]2CCC2)CCN(CC2CC3(CCC3)C2)CC1 ZINC000880476548 636008147 /nfs/dbraw/zinc/00/81/47/636008147.db2.gz YWHOJNNQGCFGKK-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883185618 636570514 /nfs/dbraw/zinc/57/05/14/636570514.db2.gz AVLLVEXJSPTVEO-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883434316 636754382 /nfs/dbraw/zinc/75/43/82/636754382.db2.gz NFLCMIFNFDCKOH-TVFCKZIOSA-N 1 3 288.435 3.156 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850422498 637055603 /nfs/dbraw/zinc/05/56/03/637055603.db2.gz SDOJIZKMJWRQGF-AWEZNQCLSA-N 1 3 288.435 3.147 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885953689 637329734 /nfs/dbraw/zinc/32/97/34/637329734.db2.gz CWWWPTQUXBWXIT-IEXSPKMKSA-N 1 3 276.399 3.160 20 0 CGADHO Cc1coc(CNCCCCC[NH+]2CCCCC2)c1 ZINC000885981381 637341156 /nfs/dbraw/zinc/34/11/56/637341156.db2.gz DWWNPXYQTFYHPR-UHFFFAOYSA-N 1 3 264.413 3.334 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169884 637446444 /nfs/dbraw/zinc/44/64/44/637446444.db2.gz KQLJYJAQHPPYRO-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO FC1(F)CC(C[NH+]2CCC(NCc3ccccc3)CC2)C1 ZINC000852117455 637600191 /nfs/dbraw/zinc/60/01/91/637600191.db2.gz ZUQSGPGBGNYRIF-UHFFFAOYSA-N 1 3 294.389 3.286 20 0 CGADHO Cc1cc(Cl)ccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000220350442 637658722 /nfs/dbraw/zinc/65/87/22/637658722.db2.gz SECRUWDOIWAGHY-NUEKZKHPSA-N 1 3 278.827 3.208 20 0 CGADHO C[C@@H](c1ccccc1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867224 637716125 /nfs/dbraw/zinc/71/61/25/637716125.db2.gz AGCPAHPHKGLRAE-DOTOQJQBSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000222224048 637781248 /nfs/dbraw/zinc/78/12/48/637781248.db2.gz NVNJCZILMPECGO-JKSUJKDBSA-N 1 3 292.442 3.468 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1ccc(SC(F)F)cc1 ZINC000853247551 637793770 /nfs/dbraw/zinc/79/37/70/637793770.db2.gz TYATYDXHNGUGBI-CYBMUJFWSA-N 1 3 288.407 3.464 20 0 CGADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000854224755 638027318 /nfs/dbraw/zinc/02/73/18/638027318.db2.gz QVVMEXMLWHFTTO-XDNAFOTISA-N 1 3 288.410 3.049 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2ccccc2C(F)(F)F)C12CCC2 ZINC000925489910 638316581 /nfs/dbraw/zinc/31/65/81/638316581.db2.gz AWMJJXLVFQBNGE-KBPBESRZSA-N 1 3 298.352 3.107 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924570796 638364061 /nfs/dbraw/zinc/36/40/61/638364061.db2.gz CEMOMROEOVSRPH-KZNAEPCWSA-N 1 3 296.499 3.172 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC000924611253 638374940 /nfs/dbraw/zinc/37/49/40/638374940.db2.gz ZZNUSOOFSBIIKV-OAHLLOKOSA-N 1 3 278.440 3.311 20 0 CGADHO CC(C)CC[NH+]1CCC(N[C@H](C)Cc2ccco2)CC1 ZINC000924611253 638374945 /nfs/dbraw/zinc/37/49/45/638374945.db2.gz ZZNUSOOFSBIIKV-OAHLLOKOSA-N 1 3 278.440 3.311 20 0 CGADHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000925152717 638461510 /nfs/dbraw/zinc/46/15/10/638461510.db2.gz SMRJHLHSTOWFLF-CYBMUJFWSA-N 1 3 294.414 3.304 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925222847 638478868 /nfs/dbraw/zinc/47/88/68/638478868.db2.gz UDAWLJCZJFPULN-HIFRSBDPSA-N 1 3 250.430 3.172 20 0 CGADHO Fc1cccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925521799 638517363 /nfs/dbraw/zinc/51/73/63/638517363.db2.gz WPXPFIBGYOWEQT-QZTJIDSGSA-N 1 3 290.426 3.126 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925655213 638558101 /nfs/dbraw/zinc/55/81/01/638558101.db2.gz RDMCDOURJLRISO-MUIFIZLQSA-N 1 3 270.420 3.101 20 0 CGADHO C[C@@H]([NH3+])[C@H](NCC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659763 638561200 /nfs/dbraw/zinc/56/12/00/638561200.db2.gz GOOLOIUCNHLKFM-DOMZBBRYSA-N 1 3 282.378 3.490 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC(F)F ZINC000925734277 638587394 /nfs/dbraw/zinc/58/73/94/638587394.db2.gz PUJSIIDOJUQAAO-ZIAGYGMSSA-N 1 3 288.426 3.426 20 0 CGADHO C[C@H]1CC[C@H](NCCC(C)(C)[NH3+])c2sccc21 ZINC000925738654 638591092 /nfs/dbraw/zinc/59/10/92/638591092.db2.gz RVBIDFKFYLSSSL-JQWIXIFHSA-N 1 3 252.427 3.404 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCc2cc(Br)ccc21 ZINC000925764259 638601528 /nfs/dbraw/zinc/60/15/28/638601528.db2.gz FRVCONOUPQZNEX-GPCCPHFNSA-N 1 3 297.240 3.152 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000925882330 638641209 /nfs/dbraw/zinc/64/12/09/638641209.db2.gz KUKTVIBZLLWIQV-XCRHUMRWSA-N 1 3 299.393 3.027 20 0 CGADHO OCc1cc(NCCCCCCC[NH+]2CCCC2)ccn1 ZINC000858361789 638693661 /nfs/dbraw/zinc/69/36/61/638693661.db2.gz CLJKSLIZQHJYIB-UHFFFAOYSA-N 1 3 291.439 3.032 20 0 CGADHO C[C@H](N[C@@H](C)C1(Cl)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119889 638712972 /nfs/dbraw/zinc/71/29/72/638712972.db2.gz RKOAFUYVGCZRLR-MELADBBJSA-N 1 3 284.875 3.389 20 0 CGADHO C[C@H](N[C@@H](C)C1(Cl)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119889 638712977 /nfs/dbraw/zinc/71/29/77/638712977.db2.gz RKOAFUYVGCZRLR-MELADBBJSA-N 1 3 284.875 3.389 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1(Cl)CC1 ZINC000926119890 638713076 /nfs/dbraw/zinc/71/30/76/638713076.db2.gz RKOAFUYVGCZRLR-MJBXVCDLSA-N 1 3 284.875 3.389 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1(Cl)CC1 ZINC000926119890 638713082 /nfs/dbraw/zinc/71/30/82/638713082.db2.gz RKOAFUYVGCZRLR-MJBXVCDLSA-N 1 3 284.875 3.389 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000926354945 638765328 /nfs/dbraw/zinc/76/53/28/638765328.db2.gz LFRPSXVQABXTLF-HZPDHXFCSA-N 1 3 296.499 3.290 20 0 CGADHO COC1(CC[NH2+]C2CCN(CCC(C)C)CC2)CCC1 ZINC000926482816 638775694 /nfs/dbraw/zinc/77/56/94/638775694.db2.gz QJZIDBCIAWXEJM-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H](C1CC1)C(C)(C)C)c1cccnc1 ZINC000926895977 638822469 /nfs/dbraw/zinc/82/24/69/638822469.db2.gz CBTOKTCTSZFEBA-IAGOWNOFSA-N 1 3 289.467 3.489 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000926897267 638822736 /nfs/dbraw/zinc/82/27/36/638822736.db2.gz HEGCTHZODXBNMS-NFAWXSAZSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000926897267 638822737 /nfs/dbraw/zinc/82/27/37/638822737.db2.gz HEGCTHZODXBNMS-NFAWXSAZSA-N 1 3 264.388 3.267 20 0 CGADHO C[C@H](c1ccc(F)nc1)N(C)CCCC[NH+]1CCCCC1 ZINC000931702268 639193079 /nfs/dbraw/zinc/19/30/79/639193079.db2.gz AHCIPUQLCMXFJV-OAHLLOKOSA-N 1 3 293.430 3.480 20 0 CGADHO c1coc(CNC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000080347834 640468720 /nfs/dbraw/zinc/46/87/20/640468720.db2.gz KWGNWHXRJPKCEQ-UHFFFAOYSA-N 1 3 262.397 3.166 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089146066 640630642 /nfs/dbraw/zinc/63/06/42/640630642.db2.gz UYQMRGPNRYRFQN-YJBOKZPZSA-N 1 3 268.404 3.447 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc2ccccc21 ZINC000089146066 640630646 /nfs/dbraw/zinc/63/06/46/640630646.db2.gz UYQMRGPNRYRFQN-YJBOKZPZSA-N 1 3 268.404 3.447 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000304663752 640865938 /nfs/dbraw/zinc/86/59/38/640865938.db2.gz WLQNYLAHPWEHCW-SNVBAGLBSA-N 1 3 285.229 3.227 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC001253095761 806166427 /nfs/dbraw/zinc/16/64/27/806166427.db2.gz MGPZTBYRYBFVCW-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC001253095761 806166434 /nfs/dbraw/zinc/16/64/34/806166434.db2.gz MGPZTBYRYBFVCW-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO CCCCC[C@@H](O)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001253552488 806251293 /nfs/dbraw/zinc/25/12/93/806251293.db2.gz AOMRMZIMKMUHAF-OAHLLOKOSA-N 1 3 284.488 3.169 20 0 CGADHO CCCCC[C@@H](O)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001253552488 806251295 /nfs/dbraw/zinc/25/12/95/806251295.db2.gz AOMRMZIMKMUHAF-OAHLLOKOSA-N 1 3 284.488 3.169 20 0 CGADHO CCCCC[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC001253558880 806256350 /nfs/dbraw/zinc/25/63/50/806256350.db2.gz GJVLXJOXEMZQHB-SFHVURJKSA-N 1 3 296.499 3.314 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522391 806438098 /nfs/dbraw/zinc/43/80/98/806438098.db2.gz FQUVCICXJXXQOG-PBHICJAKSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@H]2c2ccccc2F)CC1 ZINC001254522391 806438099 /nfs/dbraw/zinc/43/80/99/806438099.db2.gz FQUVCICXJXXQOG-PBHICJAKSA-N 1 3 276.399 3.447 20 0 CGADHO CCC(CC)N1CCC([NH2+]C2CCSCC2)CC1 ZINC001255084586 806538740 /nfs/dbraw/zinc/53/87/40/806538740.db2.gz UWFGDDYKGDQNMX-UHFFFAOYSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H](N)c1nccn1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255382902 806630233 /nfs/dbraw/zinc/63/02/33/806630233.db2.gz YKSHLDYDMYKTCM-WBVHZDCISA-N 1 3 298.434 3.130 20 0 CGADHO C[C@@H](N)c1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382902 806630238 /nfs/dbraw/zinc/63/02/38/806630238.db2.gz YKSHLDYDMYKTCM-WBVHZDCISA-N 1 3 298.434 3.130 20 0 CGADHO Cc1cc(-n2c3ccccc3nc2[C@H](C)N)cc(C)[nH+]1 ZINC001162765426 806660785 /nfs/dbraw/zinc/66/07/85/806660785.db2.gz FYXCYTUWQMWMQK-LBPRGKRZSA-N 1 3 266.348 3.057 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000037786584 798874783 /nfs/dbraw/zinc/87/47/83/798874783.db2.gz CYYHMQUAOYHMMZ-AWEZNQCLSA-N 1 3 250.430 3.195 20 0 CGADHO CN(Cc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255674342 806702780 /nfs/dbraw/zinc/70/27/80/806702780.db2.gz QIIFYUIAVHFRRN-SJPCQFCGSA-N 1 3 276.399 3.273 20 0 CGADHO CN(Cc1ccc(F)cc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255674342 806702783 /nfs/dbraw/zinc/70/27/83/806702783.db2.gz QIIFYUIAVHFRRN-SJPCQFCGSA-N 1 3 276.399 3.273 20 0 CGADHO CN(C)C1CC[NH+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001255708717 806712936 /nfs/dbraw/zinc/71/29/36/806712936.db2.gz NPEYNKCXXKEQOB-YPMHNXCESA-N 1 3 278.362 3.134 20 0 CGADHO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381799688 799387757 /nfs/dbraw/zinc/38/77/57/799387757.db2.gz RSDGXOVFPVMQFX-SJIIUEBRSA-N 1 3 278.827 3.239 20 0 CGADHO COc1ccc2cc(CN3C[C@H](C[NH3+])CC[C@@H]3C)ccc2c1 ZINC000387250880 799444350 /nfs/dbraw/zinc/44/43/50/799444350.db2.gz LYLMKVFEEFGCSW-HOCLYGCPSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@]1(N)CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000405834278 799587661 /nfs/dbraw/zinc/58/76/61/799587661.db2.gz UTRRBHLJDUBRKG-IBGZPJMESA-N 1 3 280.415 3.242 20 0 CGADHO C[C@]1(N)CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000405834278 799587666 /nfs/dbraw/zinc/58/76/66/799587666.db2.gz UTRRBHLJDUBRKG-IBGZPJMESA-N 1 3 280.415 3.242 20 0 CGADHO CCC(C)(C)[N@H+](C)Cc1cc2c(s1)CCNC2 ZINC000687951970 799741137 /nfs/dbraw/zinc/74/11/37/799741137.db2.gz VJIBMMDTQXWAPS-UHFFFAOYSA-N 1 3 252.427 3.014 20 0 CGADHO CCC(C)(C)[N@@H+](C)Cc1cc2c(s1)CCNC2 ZINC000687951970 799741141 /nfs/dbraw/zinc/74/11/41/799741141.db2.gz VJIBMMDTQXWAPS-UHFFFAOYSA-N 1 3 252.427 3.014 20 0 CGADHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687969384 799743656 /nfs/dbraw/zinc/74/36/56/799743656.db2.gz SSKAPWNLIMAMBJ-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687969384 799743660 /nfs/dbraw/zinc/74/36/60/799743660.db2.gz SSKAPWNLIMAMBJ-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)(C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C(C)(F)F ZINC000696597151 799841572 /nfs/dbraw/zinc/84/15/72/799841572.db2.gz JLDYSWVXJPBHNK-QWHCGFSZSA-N 1 3 268.351 3.402 20 0 CGADHO C[C@@H](CC[NH2+]C1CC(c2ccccc2F)C1)N(C)C ZINC000697907678 799850284 /nfs/dbraw/zinc/85/02/84/799850284.db2.gz FHXSXKZECYIKOJ-HSBZDZAISA-N 1 3 264.388 3.002 20 0 CGADHO C[C@@H](CC[NH2+]C1CC(c2cccc(F)c2)C1)N(C)C ZINC000697909893 799851459 /nfs/dbraw/zinc/85/14/59/799851459.db2.gz QGRWSJXXIQDNQZ-YGONEPDPSA-N 1 3 264.388 3.002 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001255940907 806790377 /nfs/dbraw/zinc/79/03/77/806790377.db2.gz IOFCXHHOIMHPGL-OLZOCXBDSA-N 1 3 262.388 3.132 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOc1ccccc1C ZINC001255943154 806791799 /nfs/dbraw/zinc/79/17/99/806791799.db2.gz JHOGXUXESYJRMZ-QGZVFWFLSA-N 1 3 292.467 3.474 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC001255945664 806792423 /nfs/dbraw/zinc/79/24/23/806792423.db2.gz HRKILRZSAPDODM-MRXNPFEDSA-N 1 3 277.456 3.033 20 0 CGADHO CCCC[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708544220 799991056 /nfs/dbraw/zinc/99/10/56/799991056.db2.gz PINGJNNTRNPLIL-DOTOQJQBSA-N 1 3 260.425 3.144 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001255953106 806796569 /nfs/dbraw/zinc/79/65/69/806796569.db2.gz WXFJJICHAWRZDY-GJZGRUSLSA-N 1 3 278.440 3.033 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)c1ncccc1F ZINC001255953002 806796972 /nfs/dbraw/zinc/79/69/72/806796972.db2.gz HNQMHVCUVQEBFF-CQSZACIVSA-N 1 3 295.446 3.208 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)c1ncccc1F ZINC001255953001 806797144 /nfs/dbraw/zinc/79/71/44/806797144.db2.gz HNQMHVCUVQEBFF-AWEZNQCLSA-N 1 3 295.446 3.208 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001255963769 806802767 /nfs/dbraw/zinc/80/27/67/806802767.db2.gz KFFZNKQDBPFMND-GFCCVEGCSA-N 1 3 262.388 3.084 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001255963769 806802772 /nfs/dbraw/zinc/80/27/72/806802772.db2.gz KFFZNKQDBPFMND-GFCCVEGCSA-N 1 3 262.388 3.084 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2ccccn2)CC1 ZINC001256406016 806884441 /nfs/dbraw/zinc/88/44/41/806884441.db2.gz RJWOLJGDEOBKJB-OAHLLOKOSA-N 1 3 289.467 3.255 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2ccccn2)CC1 ZINC001256406016 806884448 /nfs/dbraw/zinc/88/44/48/806884448.db2.gz RJWOLJGDEOBKJB-OAHLLOKOSA-N 1 3 289.467 3.255 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C3CCC(CC)CC3)C[C@H]2C1 ZINC001256876232 806999054 /nfs/dbraw/zinc/99/90/54/806999054.db2.gz JXPBMGAWDYZDTJ-JCCCHCCOSA-N 1 3 264.457 3.229 20 0 CGADHO c1nc2cc(C3=CNCCC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001243952279 803097712 /nfs/dbraw/zinc/09/77/12/803097712.db2.gz IWAPDYKHWJXXKA-INIZCTEOSA-N 1 3 296.418 3.075 20 0 CGADHO C[NH2+]Cc1cccc(-c2ccc3c(c2)CN(C)CC3)c1F ZINC001244862330 803553645 /nfs/dbraw/zinc/55/36/45/803553645.db2.gz DAQBUWANYTWBFG-UHFFFAOYSA-N 1 3 284.378 3.200 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CCN1 ZINC001246063380 804106752 /nfs/dbraw/zinc/10/67/52/804106752.db2.gz BSKGREAOTYFDFM-GJZGRUSLSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246071750 804110272 /nfs/dbraw/zinc/11/02/72/804110272.db2.gz DNDXJZBAXFYNMV-HOCLYGCPSA-N 1 3 278.415 3.125 20 0 CGADHO CC(C)=CCC[C@H](C)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246115275 804146730 /nfs/dbraw/zinc/14/67/30/804146730.db2.gz RIUKJGPMCOEARF-GJZGRUSLSA-N 1 3 256.409 3.193 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246100940 804133317 /nfs/dbraw/zinc/13/33/17/804133317.db2.gz UPLNYYGCCZOHDQ-UPJWGTAASA-N 1 3 298.833 3.388 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+][C@@H]1CNCC12CC2 ZINC001246128920 804156132 /nfs/dbraw/zinc/15/61/32/804156132.db2.gz FPIBXZPOFRUSOO-HUUCEWRRSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@@H]1CCC[NH2+][C@@H]1C ZINC001246113270 804145218 /nfs/dbraw/zinc/14/52/18/804145218.db2.gz TVQBXKZOFWJERV-UPJWGTAASA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@H]1CCC[NH2+][C@H]1C ZINC001246114807 804146242 /nfs/dbraw/zinc/14/62/42/804146242.db2.gz XSSQPVKIZINBJP-HZSPNIEDSA-N 1 3 296.455 3.284 20 0 CGADHO CC(C)C1CCC(NC[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116964 804147511 /nfs/dbraw/zinc/14/75/11/804147511.db2.gz XZHHONGYNWKHQJ-GPANFISMSA-N 1 3 270.436 3.273 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001246117534 804149269 /nfs/dbraw/zinc/14/92/69/804149269.db2.gz JUGWAWKJWLFWKY-ZOBUZTSGSA-N 1 3 292.492 3.453 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2c(ccn2C)c1 ZINC001139193116 804155996 /nfs/dbraw/zinc/15/59/96/804155996.db2.gz XKUDWOBROGKZKJ-UHFFFAOYSA-N 1 3 287.451 3.342 20 0 CGADHO C1CC12CNC[C@H]2[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246135355 804160631 /nfs/dbraw/zinc/16/06/31/804160631.db2.gz UJKQMTZHHQRWQU-HUUCEWRRSA-N 1 3 262.441 3.221 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(F)CCNC1 ZINC001246150287 804169304 /nfs/dbraw/zinc/16/93/04/804169304.db2.gz VWDSRYSUAYPAKS-IAGOWNOFSA-N 1 3 278.415 3.079 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246211115 804208433 /nfs/dbraw/zinc/20/84/33/804208433.db2.gz LVXWEZCHVYNMFU-OWSLCNJRSA-N 1 3 272.436 3.443 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246224300 804218861 /nfs/dbraw/zinc/21/88/61/804218861.db2.gz VYONIEUTQSJPTD-ZQDZILKHSA-N 1 3 258.425 3.129 20 0 CGADHO CCCC[C@@H](CC)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246233410 804225939 /nfs/dbraw/zinc/22/59/39/804225939.db2.gz RJOXISDYTXRIOQ-WCVJEAGWSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246237011 804227854 /nfs/dbraw/zinc/22/78/54/804227854.db2.gz FRFUHUVGMGFENA-WFASDCNBSA-N 1 3 278.827 3.102 20 0 CGADHO C[C@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246237011 804227864 /nfs/dbraw/zinc/22/78/64/804227864.db2.gz FRFUHUVGMGFENA-WFASDCNBSA-N 1 3 278.827 3.102 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CN ZINC001246250007 804238004 /nfs/dbraw/zinc/23/80/04/804238004.db2.gz NTKLBIMSJKSBIB-INIZCTEOSA-N 1 3 262.441 3.218 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CCN1 ZINC001246258393 804242443 /nfs/dbraw/zinc/24/24/43/804242443.db2.gz XBAWRFLZCSKPSA-WRQOLXDDSA-N 1 3 264.457 3.466 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC2(C)C)CCN1 ZINC001246285091 804259209 /nfs/dbraw/zinc/25/92/09/804259209.db2.gz FZHYXLNSCPGYPV-MJBXVCDLSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246299460 804266952 /nfs/dbraw/zinc/26/69/52/804266952.db2.gz IRXMZYTXXKAFTQ-QWRGUYRKSA-N 1 3 272.845 3.148 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246311620 804273246 /nfs/dbraw/zinc/27/32/46/804273246.db2.gz QGSZUWGTQAURRU-HZPDHXFCSA-N 1 3 280.843 3.160 20 0 CGADHO CCC[C@H](Cc1ccccc1)N[C@H]1C[NH2+]CCC1(C)C ZINC001246329066 804284203 /nfs/dbraw/zinc/28/42/03/804284203.db2.gz LIMUHHQDMWDTKU-SJORKVTESA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246335674 804291610 /nfs/dbraw/zinc/29/16/10/804291610.db2.gz LMBQPZOGKCOCSP-LTAJLKHCSA-N 1 3 262.441 3.075 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N[C@@H](C[NH3+])C(C)(C)C ZINC001246344899 804296044 /nfs/dbraw/zinc/29/60/44/804296044.db2.gz KTBFOWOYQHWFSQ-FZMZJTMJSA-N 1 3 284.444 3.269 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246381885 804313366 /nfs/dbraw/zinc/31/33/66/804313366.db2.gz TZMBNMWGOKYHCW-AWEZNQCLSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246380124 804314345 /nfs/dbraw/zinc/31/43/45/804314345.db2.gz FJIQEZYMGHWHKC-CQSZACIVSA-N 1 3 290.426 3.269 20 0 CGADHO Clc1ccccc1CC1(C[NH2+][C@@H]2CCCCNC2)CC1 ZINC001246386577 804315453 /nfs/dbraw/zinc/31/54/53/804315453.db2.gz WYWLBOSSPDRCJF-OAHLLOKOSA-N 1 3 292.854 3.394 20 0 CGADHO CC[C@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246392900 804317139 /nfs/dbraw/zinc/31/71/39/804317139.db2.gz OSXSXBWKVMBYRC-DLBZAZTESA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246392900 804317148 /nfs/dbraw/zinc/31/71/48/804317148.db2.gz OSXSXBWKVMBYRC-DLBZAZTESA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)CCN1 ZINC001246403416 804322447 /nfs/dbraw/zinc/32/24/47/804322447.db2.gz DUAJLQBZRXUPRL-JSGCOSHPSA-N 1 3 286.410 3.465 20 0 CGADHO C[C@@H]1CC[C@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246430880 804328920 /nfs/dbraw/zinc/32/89/20/804328920.db2.gz SGOZVUKQTWZEBU-ZBFHGGJFSA-N 1 3 258.409 3.044 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246435411 804332697 /nfs/dbraw/zinc/33/26/97/804332697.db2.gz NKGUPKHKAAAPNY-BBRMVZONSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1CCNC3(CCC3)C1)C2(C)C ZINC001246441695 804333019 /nfs/dbraw/zinc/33/30/19/804333019.db2.gz FLBATFCJTQHFEW-AALSBFMBSA-N 1 3 276.468 3.321 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([NH2+]C3(CC4CCC4)CCNCC3)C[C@@H]21 ZINC001246446028 804333717 /nfs/dbraw/zinc/33/37/17/804333717.db2.gz JWAXBFWLLXYJMZ-MUJYYYPQSA-N 1 3 276.468 3.323 20 0 CGADHO CC[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CCN1 ZINC001246445200 804334602 /nfs/dbraw/zinc/33/46/02/804334602.db2.gz VXKKRRHCOGGKAS-YZXKGSGOSA-N 1 3 264.457 3.177 20 0 CGADHO CC(C)[NH2+]CCNC1CCC2(CCc3ccccc32)CC1 ZINC001246458983 804339836 /nfs/dbraw/zinc/33/98/36/804339836.db2.gz IGKOLZNDWPCCBM-UHFFFAOYSA-N 1 3 286.463 3.401 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CCNCC2)C1 ZINC001246460056 804340946 /nfs/dbraw/zinc/34/09/46/804340946.db2.gz MBJMYCDQWQXBGO-NVXWUHKLSA-N 1 3 272.436 3.130 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246463004 804343511 /nfs/dbraw/zinc/34/35/11/804343511.db2.gz UIMDLWKHXVXFJV-QBPKDAKJSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246463004 804343518 /nfs/dbraw/zinc/34/35/18/804343518.db2.gz UIMDLWKHXVXFJV-QBPKDAKJSA-N 1 3 258.409 3.053 20 0 CGADHO CCCCCC1CCC(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246472606 804349922 /nfs/dbraw/zinc/34/99/22/804349922.db2.gz HCHKSIYKAUBQCC-YVZBVZGPSA-N 1 3 276.468 3.489 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001246476572 804352974 /nfs/dbraw/zinc/35/29/74/804352974.db2.gz XSONGMKUBULGFU-VHPHOLNESA-N 1 3 282.431 3.076 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)CCN1 ZINC001246487823 804357561 /nfs/dbraw/zinc/35/75/61/804357561.db2.gz HLMSBQVJBSDTMA-APIJFGDWSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)[C@@H]([NH2+]C1CCC2(CCCC2)CC1)C1CNC1 ZINC001246518739 804371068 /nfs/dbraw/zinc/37/10/68/804371068.db2.gz PKERULASAUVIBB-MRXNPFEDSA-N 1 3 264.457 3.323 20 0 CGADHO CC(C)[C@@H]([NH2+]C1CCC(C(C)C)CC1)C1CNC1 ZINC001246518121 804371571 /nfs/dbraw/zinc/37/15/71/804371571.db2.gz OIRLKXOIXCBWHQ-AVVWSFFYSA-N 1 3 252.446 3.035 20 0 CGADHO CC[C@H]1CC(N(C)CCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246519437 804374382 /nfs/dbraw/zinc/37/43/82/804374382.db2.gz OAPYRJMFMRQGPG-IRXDYDNUSA-N 1 3 274.452 3.470 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@H](C2CC2)C2CNC2)CC1 ZINC001246520522 804375092 /nfs/dbraw/zinc/37/50/92/804375092.db2.gz WVMUOMHLFIDTPE-UYSNPLJNSA-N 1 3 264.457 3.179 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246521364 804377106 /nfs/dbraw/zinc/37/71/06/804377106.db2.gz ZTRGAXWDBIJEHI-WOSRLPQWSA-N 1 3 252.446 3.035 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N1CCC[C@@H]([NH3+])CC1 ZINC001246539064 804387412 /nfs/dbraw/zinc/38/74/12/804387412.db2.gz APGJRCKAYKQNCO-GXTWGEPZSA-N 1 3 282.428 3.120 20 0 CGADHO C[NH2+]C[C@@H]1CCCN([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538341 804387439 /nfs/dbraw/zinc/38/74/39/804387439.db2.gz BOBHYYGEAUQOFU-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1CN ZINC001246553200 804402606 /nfs/dbraw/zinc/40/26/06/804402606.db2.gz SGDDFYUOLASPOW-NRSFXHEJSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1CN ZINC001246553200 804402610 /nfs/dbraw/zinc/40/26/10/804402610.db2.gz SGDDFYUOLASPOW-NRSFXHEJSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246561914 804409376 /nfs/dbraw/zinc/40/93/76/804409376.db2.gz HEHYAXYKTMCUIP-BPLDGKMQSA-N 1 3 292.854 3.257 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001246565781 804413995 /nfs/dbraw/zinc/41/39/95/804413995.db2.gz PUAYTLPKPVEUAQ-XYJFISCASA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001246565781 804413999 /nfs/dbraw/zinc/41/39/99/804413999.db2.gz PUAYTLPKPVEUAQ-XYJFISCASA-N 1 3 274.452 3.375 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC001246571292 804418965 /nfs/dbraw/zinc/41/89/65/804418965.db2.gz IIHRSRFQHOBQCP-QLFBSQMISA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCNC3(CCC3)C2)C[C@@H]1C ZINC001246571292 804418968 /nfs/dbraw/zinc/41/89/68/804418968.db2.gz IIHRSRFQHOBQCP-QLFBSQMISA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)=CCC[C@@H](C)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246573413 804420736 /nfs/dbraw/zinc/42/07/36/804420736.db2.gz CERLKFDGIOPZOB-CABCVRRESA-N 1 3 256.409 3.274 20 0 CGADHO [NH3+]C[C@H]1CCCCN([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246579577 804424700 /nfs/dbraw/zinc/42/47/00/804424700.db2.gz CGCNIZZDTFKIGD-HIFRSBDPSA-N 1 3 292.854 3.258 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579964 804424907 /nfs/dbraw/zinc/42/49/07/804424907.db2.gz DOQCCFQSEZRVNQ-YJBOKZPZSA-N 1 3 274.452 3.241 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246579964 804424912 /nfs/dbraw/zinc/42/49/12/804424912.db2.gz DOQCCFQSEZRVNQ-YJBOKZPZSA-N 1 3 274.452 3.241 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589750 804432362 /nfs/dbraw/zinc/43/23/62/804432362.db2.gz FMKFCMJPKPWYPB-YJBOKZPZSA-N 1 3 290.426 3.134 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589750 804432365 /nfs/dbraw/zinc/43/23/65/804432365.db2.gz FMKFCMJPKPWYPB-YJBOKZPZSA-N 1 3 290.426 3.134 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246589750 804432368 /nfs/dbraw/zinc/43/23/68/804432368.db2.gz FMKFCMJPKPWYPB-YJBOKZPZSA-N 1 3 290.426 3.134 20 0 CGADHO CCC1CC[NH+]([C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246589979 804432449 /nfs/dbraw/zinc/43/24/49/804432449.db2.gz QRYALOGSEGKKQD-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@H](CC(C)C)N1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246606810 804441889 /nfs/dbraw/zinc/44/18/89/804441889.db2.gz BXUJUPNVSXJARF-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO C1C[N@H+](C2CCCCCCC2)[C@]2(C1)CCCNC2 ZINC001246610291 804444329 /nfs/dbraw/zinc/44/43/29/804444329.db2.gz PBRWIFAYYRMHCA-INIZCTEOSA-N 1 3 250.430 3.317 20 0 CGADHO C1C[N@@H+](C2CCCCCCC2)[C@]2(C1)CCCNC2 ZINC001246610291 804444332 /nfs/dbraw/zinc/44/43/32/804444332.db2.gz PBRWIFAYYRMHCA-INIZCTEOSA-N 1 3 250.430 3.317 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246618427 804452507 /nfs/dbraw/zinc/45/25/07/804452507.db2.gz FNBGNILBCIRMAK-HIFRSBDPSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246618427 804452519 /nfs/dbraw/zinc/45/25/19/804452519.db2.gz FNBGNILBCIRMAK-HIFRSBDPSA-N 1 3 270.486 3.125 20 0 CGADHO CCCCC[C@@H](CCC)[N@@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246621800 804456214 /nfs/dbraw/zinc/45/62/14/804456214.db2.gz QAISVIRDMSQMET-IAGOWNOFSA-N 1 3 282.472 3.190 20 0 CGADHO CCCCC[C@@H](CCC)[N@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246621800 804456218 /nfs/dbraw/zinc/45/62/18/804456218.db2.gz QAISVIRDMSQMET-IAGOWNOFSA-N 1 3 282.472 3.190 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624269 804457325 /nfs/dbraw/zinc/45/73/25/804457325.db2.gz ONASVWNWANAWFC-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624269 804457328 /nfs/dbraw/zinc/45/73/28/804457328.db2.gz ONASVWNWANAWFC-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246626463 804457378 /nfs/dbraw/zinc/45/73/78/804457378.db2.gz UNBFAOKONFXNOX-GBESFXJTSA-N 1 3 286.463 3.472 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246626463 804457380 /nfs/dbraw/zinc/45/73/80/804457380.db2.gz UNBFAOKONFXNOX-GBESFXJTSA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC2(CNC2)C1 ZINC001246631006 804460977 /nfs/dbraw/zinc/46/09/77/804460977.db2.gz NLMXNOZJDGOZMF-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC2(CNC2)C1 ZINC001246631006 804460980 /nfs/dbraw/zinc/46/09/80/804460980.db2.gz NLMXNOZJDGOZMF-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629703 804461109 /nfs/dbraw/zinc/46/11/09/804461109.db2.gz HHYSBLJPTOHVCY-SJORKVTESA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CCC4(CNC4)C3)C2)cc1 ZINC001246629703 804461114 /nfs/dbraw/zinc/46/11/14/804461114.db2.gz HHYSBLJPTOHVCY-SJORKVTESA-N 1 3 270.420 3.008 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643917 804470289 /nfs/dbraw/zinc/47/02/89/804470289.db2.gz HXIAQFAIFJTRPQ-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643917 804470293 /nfs/dbraw/zinc/47/02/93/804470293.db2.gz HXIAQFAIFJTRPQ-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H](N2CCCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644619 804471895 /nfs/dbraw/zinc/47/18/95/804471895.db2.gz RQFIGOUERITJIA-HLLBOEOZSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC[C@@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649571 804477701 /nfs/dbraw/zinc/47/77/01/804477701.db2.gz CXVCLWFDIGIKEX-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@@H](C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246649571 804477706 /nfs/dbraw/zinc/47/77/06/804477706.db2.gz CXVCLWFDIGIKEX-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@@H](C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246649571 804477711 /nfs/dbraw/zinc/47/77/11/804477711.db2.gz CXVCLWFDIGIKEX-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660462 804484281 /nfs/dbraw/zinc/48/42/81/804484281.db2.gz UGRKFDSBGJDEFN-QXSJWSMHSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660462 804484284 /nfs/dbraw/zinc/48/42/84/804484284.db2.gz UGRKFDSBGJDEFN-QXSJWSMHSA-N 1 3 252.446 3.275 20 0 CGADHO CCCCCC[C@H](CCCC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665965 804487146 /nfs/dbraw/zinc/48/71/46/804487146.db2.gz VMROXUMCHYXIES-JONQDZQNSA-N 1 3 252.446 3.405 20 0 CGADHO CCCCCC[C@H](CCCC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665965 804487150 /nfs/dbraw/zinc/48/71/50/804487150.db2.gz VMROXUMCHYXIES-JONQDZQNSA-N 1 3 252.446 3.405 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CNCC[C@H]21 ZINC001246675666 804490595 /nfs/dbraw/zinc/49/05/95/804490595.db2.gz QOWNTMSTFYYKJV-KZNAEPCWSA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CNCC[C@H]21 ZINC001246675666 804490598 /nfs/dbraw/zinc/49/05/98/804490598.db2.gz QOWNTMSTFYYKJV-KZNAEPCWSA-N 1 3 272.436 3.082 20 0 CGADHO CCCCC1CC[NH+]([C@@H]2CCN[C@H](CC)C2)CC1 ZINC001246681822 804494561 /nfs/dbraw/zinc/49/45/61/804494561.db2.gz QYILBVHCBMGNOY-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246688715 804497361 /nfs/dbraw/zinc/49/73/61/804497361.db2.gz HIAIOMDKRRJFCH-HRCADAONSA-N 1 3 270.436 3.369 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246688715 804497367 /nfs/dbraw/zinc/49/73/67/804497367.db2.gz HIAIOMDKRRJFCH-HRCADAONSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC001246773667 804504729 /nfs/dbraw/zinc/50/47/29/804504729.db2.gz BDMMAVOJWVSGMF-STQMWFEESA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(CCc3ccccc3)CC2)CCN1 ZINC001246779472 804506730 /nfs/dbraw/zinc/50/67/30/804506730.db2.gz HSGDPFNAOSFWKK-LPHOPBHVSA-N 1 3 286.463 3.472 20 0 CGADHO COc1ccc([C@@H]2CCCN2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246779939 804507654 /nfs/dbraw/zinc/50/76/54/804507654.db2.gz JPLOPUYHTKLCNO-KPEUIFRASA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC001246779939 804507659 /nfs/dbraw/zinc/50/76/59/804507659.db2.gz JPLOPUYHTKLCNO-KPEUIFRASA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC001246779939 804507662 /nfs/dbraw/zinc/50/76/62/804507662.db2.gz JPLOPUYHTKLCNO-KPEUIFRASA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779676 804508719 /nfs/dbraw/zinc/50/87/19/804508719.db2.gz SWXKUPJMZYJPMQ-KZNAEPCWSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246779676 804508721 /nfs/dbraw/zinc/50/87/21/804508721.db2.gz SWXKUPJMZYJPMQ-KZNAEPCWSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@H](N2CCC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779676 804508724 /nfs/dbraw/zinc/50/87/24/804508724.db2.gz SWXKUPJMZYJPMQ-KZNAEPCWSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1CC([N@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](C)N1 ZINC001246784019 804510101 /nfs/dbraw/zinc/51/01/01/804510101.db2.gz SVNXRHVGTJXGQQ-ZAOZSLGCSA-N 1 3 276.468 3.416 20 0 CGADHO C[C@H]1CC([N@@H+](C)C23CC4CC(CC(C4)C2)C3)C[C@H](C)N1 ZINC001246784019 804510106 /nfs/dbraw/zinc/51/01/06/804510106.db2.gz SVNXRHVGTJXGQQ-ZAOZSLGCSA-N 1 3 276.468 3.416 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246789692 804513539 /nfs/dbraw/zinc/51/35/39/804513539.db2.gz FEAKJLKUBHZHAF-UHFFFAOYSA-N 1 3 298.474 3.473 20 0 CGADHO c1ccc(CC2CCC([N@H+]3CCCC4(CNC4)C3)CC2)cc1 ZINC001246789692 804513544 /nfs/dbraw/zinc/51/35/44/804513544.db2.gz FEAKJLKUBHZHAF-UHFFFAOYSA-N 1 3 298.474 3.473 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN)C1 ZINC001246799210 804520868 /nfs/dbraw/zinc/52/08/68/804520868.db2.gz WNGYGJVECIIPJG-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN)C1 ZINC001246799210 804520872 /nfs/dbraw/zinc/52/08/72/804520872.db2.gz WNGYGJVECIIPJG-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN)C1 ZINC001246799211 804521211 /nfs/dbraw/zinc/52/12/11/804521211.db2.gz WNGYGJVECIIPJG-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](CN)C1 ZINC001246799211 804521215 /nfs/dbraw/zinc/52/12/15/804521215.db2.gz WNGYGJVECIIPJG-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO Cc1cccc(CCN(C)[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001246811956 804529270 /nfs/dbraw/zinc/52/92/70/804529270.db2.gz AYAWNKOGCOVZOK-KRWDZBQOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1cccc(CC[N@@H+](C)[C@H]2CCNC3(CCC3)C2)c1 ZINC001246811956 804529273 /nfs/dbraw/zinc/52/92/73/804529273.db2.gz AYAWNKOGCOVZOK-KRWDZBQOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1cccc(CC[N@H+](C)[C@H]2CCNC3(CCC3)C2)c1 ZINC001246811956 804529276 /nfs/dbraw/zinc/52/92/76/804529276.db2.gz AYAWNKOGCOVZOK-KRWDZBQOSA-N 1 3 272.436 3.144 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3C[C@@H]4CCNC[C@H]4C3)C2)cc1 ZINC001246845023 804554120 /nfs/dbraw/zinc/55/41/20/804554120.db2.gz KHPIQVJGQZJIEO-XWSJACJDSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@@H]4CCNC[C@H]4C3)C2)cc1 ZINC001246845023 804554124 /nfs/dbraw/zinc/55/41/24/804554124.db2.gz KHPIQVJGQZJIEO-XWSJACJDSA-N 1 3 284.447 3.254 20 0 CGADHO CCc1ccc(C[C@@H](C)N(C)C[C@H]2CCC[NH2+]C2)cc1 ZINC001246844585 804554468 /nfs/dbraw/zinc/55/44/68/804554468.db2.gz ZJQYUJFPYIZOQI-QAPCUYQASA-N 1 3 274.452 3.111 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246849331 804560560 /nfs/dbraw/zinc/56/05/60/804560560.db2.gz ZRFLEKQFVOYWLT-ARFHVFGLSA-N 1 3 252.446 3.133 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246849331 804560567 /nfs/dbraw/zinc/56/05/67/804560567.db2.gz ZRFLEKQFVOYWLT-ARFHVFGLSA-N 1 3 252.446 3.133 20 0 CGADHO COc1cccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246851666 804561379 /nfs/dbraw/zinc/56/13/79/804561379.db2.gz ZQQLCYHOTSIWSP-IXEWLPCDSA-N 1 3 286.419 3.115 20 0 CGADHO CC(C)CC[C@@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246878338 804576170 /nfs/dbraw/zinc/57/61/70/804576170.db2.gz KQEZPLREIZVHRS-QRQLOZEOSA-N 1 3 286.463 3.284 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246917726 804598334 /nfs/dbraw/zinc/59/83/34/804598334.db2.gz SMBIXBWNCUTSCM-FZKCQIBNSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246917726 804598341 /nfs/dbraw/zinc/59/83/41/804598341.db2.gz SMBIXBWNCUTSCM-FZKCQIBNSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)c(F)c1 ZINC001141195212 804608090 /nfs/dbraw/zinc/60/80/90/804608090.db2.gz FTHLCHQZLQGLSP-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO CC1(c2ccccc2)CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246943955 804612166 /nfs/dbraw/zinc/61/21/66/804612166.db2.gz GOVUUSUOQQIMPP-JWTNVVGKSA-N 1 3 284.447 3.323 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccccc1F ZINC001246977654 804625263 /nfs/dbraw/zinc/62/52/63/804625263.db2.gz SRVGSQCELNNYHK-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977995 804625958 /nfs/dbraw/zinc/62/59/58/804625958.db2.gz GTQXCROGIQCHIM-QRQLOZEOSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977995 804625961 /nfs/dbraw/zinc/62/59/61/804625961.db2.gz GTQXCROGIQCHIM-QRQLOZEOSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H](CC[NH+](C)C)c2ccccc2)C[C@H](C)O1 ZINC001257073802 807041804 /nfs/dbraw/zinc/04/18/04/807041804.db2.gz VOHHOYKTJLIGHD-CYGHRXIMSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)N1CCC([N@@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001257222209 807066295 /nfs/dbraw/zinc/06/62/95/807066295.db2.gz WXNZTCIROAFJRC-UHFFFAOYSA-N 1 3 282.447 3.463 20 0 CGADHO CC(C)N1CCC([N@H+]2CCCC3(CC(F)C3)CC2)CC1 ZINC001257222209 807066303 /nfs/dbraw/zinc/06/63/03/807066303.db2.gz WXNZTCIROAFJRC-UHFFFAOYSA-N 1 3 282.447 3.463 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC001257664318 807207794 /nfs/dbraw/zinc/20/77/94/807207794.db2.gz OBIWSOSILONEFM-AWEZNQCLSA-N 1 3 270.486 3.125 20 0 CGADHO CC1(C)CC([NH3+])CC(C)(C)N1c1c[nH]cc2ccnc1-2 ZINC001167625443 807218963 /nfs/dbraw/zinc/21/89/63/807218963.db2.gz SSDCQMGLDPUTAR-UHFFFAOYSA-N 1 3 272.396 3.048 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC001258002522 807262522 /nfs/dbraw/zinc/26/25/22/807262522.db2.gz PGHLCKHVNGGLBO-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC001258005773 807264898 /nfs/dbraw/zinc/26/48/98/807264898.db2.gz WESYSZXTFWJBGP-SFHVURJKSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H](c2ccncc2)C(C)C)CC1 ZINC001258012360 807265825 /nfs/dbraw/zinc/26/58/25/807265825.db2.gz WGHMCICZTLERGR-GOSISDBHSA-N 1 3 289.467 3.489 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001258016971 807267363 /nfs/dbraw/zinc/26/73/63/807267363.db2.gz PEQPSRODDKWLMF-CYBMUJFWSA-N 1 3 274.399 3.084 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001258016971 807267367 /nfs/dbraw/zinc/26/73/67/807267367.db2.gz PEQPSRODDKWLMF-CYBMUJFWSA-N 1 3 274.399 3.084 20 0 CGADHO CC(C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167964082 807288143 /nfs/dbraw/zinc/28/81/43/807288143.db2.gz NAEMKEMSWVIPMU-LNRIEFBSSA-N 1 3 264.457 3.416 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258073715 807290365 /nfs/dbraw/zinc/29/03/65/807290365.db2.gz FLQJLLSPLUWJKQ-HZPDHXFCSA-N 1 3 266.473 3.475 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCC3(CCC3)C1)C2 ZINC001167994953 807294074 /nfs/dbraw/zinc/29/40/74/807294074.db2.gz RLJHZTWNFPJUPW-SJPCQFCGSA-N 1 3 274.452 3.268 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCC3(CCC3)C1)C2 ZINC001167994953 807294082 /nfs/dbraw/zinc/29/40/82/807294082.db2.gz RLJHZTWNFPJUPW-SJPCQFCGSA-N 1 3 274.452 3.268 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CCC=C(C)C)C[C@H]2C1 ZINC001258095387 807303579 /nfs/dbraw/zinc/30/35/79/807303579.db2.gz FPAXRQFSIPLZIH-BRWVUGGUSA-N 1 3 264.457 3.395 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCO1 ZINC001168091922 807309149 /nfs/dbraw/zinc/30/91/49/807309149.db2.gz CPIPIRBZERXSHI-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC(N(C)C)CC1 ZINC001168171924 807333328 /nfs/dbraw/zinc/33/33/28/807333328.db2.gz YTPJCQABIOPVSG-ZDUSSCGKSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@H](Cc1ccco1)NC1CC[NH+](CC(C)(C)C)CC1 ZINC001258181635 807346553 /nfs/dbraw/zinc/34/65/53/807346553.db2.gz RDNHYEDWGCIHMH-CQSZACIVSA-N 1 3 278.440 3.311 20 0 CGADHO CSCC[C@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258199952 807359298 /nfs/dbraw/zinc/35/92/98/807359298.db2.gz LSGYQRUJEYQOOH-HOCLYGCPSA-N 1 3 280.481 3.411 20 0 CGADHO CSCC[C@H](C)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001258222229 807372903 /nfs/dbraw/zinc/37/29/03/807372903.db2.gz MBJYDXMYFOVLRZ-ZDUSSCGKSA-N 1 3 288.476 3.026 20 0 CGADHO Fc1ccc([C@@H]2C[C@@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168360343 807391398 /nfs/dbraw/zinc/39/13/98/807391398.db2.gz OKUGNOMVLWIEFR-ROUUACIJSA-N 1 3 288.410 3.146 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CC(C)(C)SC)C[C@H]2C1 ZINC001258349036 807422978 /nfs/dbraw/zinc/42/29/78/807422978.db2.gz KQUJLIVIKOPDEJ-RBSFLKMASA-N 1 3 284.513 3.180 20 0 CGADHO CCC[N@H+](CCCN)[C@H](C)CCc1ccc(OC)cc1 ZINC001258389691 807437132 /nfs/dbraw/zinc/43/71/32/807437132.db2.gz VHHOSEBILAMYCE-OAHLLOKOSA-N 1 3 278.440 3.077 20 0 CGADHO CCC[N@@H+](CCCN)[C@H](C)CCc1ccc(OC)cc1 ZINC001258389691 807437135 /nfs/dbraw/zinc/43/71/35/807437135.db2.gz VHHOSEBILAMYCE-OAHLLOKOSA-N 1 3 278.440 3.077 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCN1C ZINC001258651248 807523466 /nfs/dbraw/zinc/52/34/66/807523466.db2.gz LSQJDSNQZGPOLV-QZTJIDSGSA-N 1 3 274.452 3.472 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697506 807552272 /nfs/dbraw/zinc/55/22/72/807552272.db2.gz QUTFVZCAHJRCQE-FZKCQIBNSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697506 807552273 /nfs/dbraw/zinc/55/22/73/807552273.db2.gz QUTFVZCAHJRCQE-FZKCQIBNSA-N 1 3 264.457 3.085 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169100248 807576845 /nfs/dbraw/zinc/57/68/45/807576845.db2.gz HIXSCWOEUTUUIN-DFGXFYAUSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100248 807576847 /nfs/dbraw/zinc/57/68/47/807576847.db2.gz HIXSCWOEUTUUIN-DFGXFYAUSA-N 1 3 270.420 3.197 20 0 CGADHO COc1ccc([C@H](C)N(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145925 807591819 /nfs/dbraw/zinc/59/18/19/807591819.db2.gz NIPAJVMDSHSRFC-QMCVQRASSA-N 1 3 288.435 3.313 20 0 CGADHO COc1ccc([C@H](C)N(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145925 807591828 /nfs/dbraw/zinc/59/18/28/807591828.db2.gz NIPAJVMDSHSRFC-QMCVQRASSA-N 1 3 288.435 3.313 20 0 CGADHO CCCN1CCC([NH2+]CC2(F)CCCCC2)CC1 ZINC001258767893 807602588 /nfs/dbraw/zinc/60/25/88/807602588.db2.gz NTSGNUYGQDVLTP-UHFFFAOYSA-N 1 3 256.409 3.123 20 0 CGADHO CCCN1CCC([N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001258775651 807606112 /nfs/dbraw/zinc/60/61/12/807606112.db2.gz XSIIYSARBVOMHX-GDBMZVCRSA-N 1 3 250.430 3.125 20 0 CGADHO CCCN1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001258775651 807606114 /nfs/dbraw/zinc/60/61/14/807606114.db2.gz XSIIYSARBVOMHX-GDBMZVCRSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C[C@H](C)CN)CCO1 ZINC001170183427 807788399 /nfs/dbraw/zinc/78/83/99/807788399.db2.gz SASPOBOGRIERST-BPQIPLTHSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)CN)CCO1 ZINC001170183427 807788402 /nfs/dbraw/zinc/78/84/02/807788402.db2.gz SASPOBOGRIERST-BPQIPLTHSA-N 1 3 290.451 3.041 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([N@H+](CCCN)C3CCCCC3)C[C@@H]21 ZINC001170715356 807882635 /nfs/dbraw/zinc/88/26/35/807882635.db2.gz GSWQMRYLFBCELT-PHZGNYQRSA-N 1 3 264.457 3.405 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([N@@H+](CCCN)C3CCCCC3)C[C@@H]21 ZINC001170715356 807882643 /nfs/dbraw/zinc/88/26/43/807882643.db2.gz GSWQMRYLFBCELT-PHZGNYQRSA-N 1 3 264.457 3.405 20 0 CGADHO Cc1ccc(-c2ccc(N[C@H](N)CCC[NH3+])cc2)cc1 ZINC001170899019 807928702 /nfs/dbraw/zinc/92/87/02/807928702.db2.gz GWJBXXWBRHLZCU-KRWDZBQOSA-N 1 3 269.392 3.098 20 0 CGADHO CN(CCC[NH+](C)C)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171115462 807987189 /nfs/dbraw/zinc/98/71/89/807987189.db2.gz DDLDQHGVEFOMGN-MRXNPFEDSA-N 1 3 280.843 3.081 20 0 CGADHO C[C@H]1CCC[C@H]1[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171613630 808105685 /nfs/dbraw/zinc/10/56/85/808105685.db2.gz NCKSHSJSOXYKSQ-GXTWGEPZSA-N 1 3 252.446 3.416 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@](C)(CO)CC2)CC1(C)C ZINC001171632131 808109948 /nfs/dbraw/zinc/10/99/48/808109948.db2.gz VRETXBPHYKLWDH-SFHVURJKSA-N 1 3 296.499 3.122 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@](C)(CO)CC2)CC1(C)C ZINC001171632131 808109951 /nfs/dbraw/zinc/10/99/51/808109951.db2.gz VRETXBPHYKLWDH-SFHVURJKSA-N 1 3 296.499 3.122 20 0 CGADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172100239 808172365 /nfs/dbraw/zinc/17/23/65/808172365.db2.gz BWQZHLVHRYGUDL-MXASKKJJSA-N 1 3 258.409 3.353 20 0 CGADHO C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172100239 808172368 /nfs/dbraw/zinc/17/23/68/808172368.db2.gz BWQZHLVHRYGUDL-MXASKKJJSA-N 1 3 258.409 3.353 20 0 CGADHO CC(C)[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107194 808176213 /nfs/dbraw/zinc/17/62/13/808176213.db2.gz UNQZLSOLYDWLNU-FJIDUMEYSA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107194 808176216 /nfs/dbraw/zinc/17/62/16/808176216.db2.gz UNQZLSOLYDWLNU-FJIDUMEYSA-N 1 3 287.451 3.384 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123338 808186525 /nfs/dbraw/zinc/18/65/25/808186525.db2.gz CIJBQRIHWHJBHF-PIIMJCKOSA-N 1 3 288.410 3.199 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123338 808186530 /nfs/dbraw/zinc/18/65/30/808186530.db2.gz CIJBQRIHWHJBHF-PIIMJCKOSA-N 1 3 288.410 3.199 20 0 CGADHO CCOCC[C@H](C)[NH2+]C1CCN(C(CC)CC)CC1 ZINC001172413259 808298716 /nfs/dbraw/zinc/29/87/16/808298716.db2.gz AEHKSPKMIZWLAH-AWEZNQCLSA-N 1 3 270.461 3.044 20 0 CGADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564635 808390713 /nfs/dbraw/zinc/39/07/13/808390713.db2.gz XKTDOIASEUBDKF-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001172564635 808390716 /nfs/dbraw/zinc/39/07/16/808390716.db2.gz XKTDOIASEUBDKF-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172570010 808395897 /nfs/dbraw/zinc/39/58/97/808395897.db2.gz CNKBDYURYGGMTE-NXEZZACHSA-N 1 3 290.785 3.124 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCN1CCCC1 ZINC001172836694 808452224 /nfs/dbraw/zinc/45/22/24/808452224.db2.gz CDIBVMIWDZHJCN-ZDUSSCGKSA-N 1 3 298.833 3.486 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NCCC[NH+]1CCCC1 ZINC001172836694 808452227 /nfs/dbraw/zinc/45/22/27/808452227.db2.gz CDIBVMIWDZHJCN-ZDUSSCGKSA-N 1 3 298.833 3.486 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3c(F)cccc3Cl)C[C@H]2CC1 ZINC001275251954 808923702 /nfs/dbraw/zinc/92/37/02/808923702.db2.gz BRWPBQPYCQYEAB-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3c(F)cccc3Cl)C[C@H]2CC1 ZINC001275251954 808923709 /nfs/dbraw/zinc/92/37/09/808923709.db2.gz BRWPBQPYCQYEAB-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO CCc1ccc(CN[C@@]23CC[C@@]([NH2+]C)(C2)CCC3)s1 ZINC001276043144 808986501 /nfs/dbraw/zinc/98/65/01/808986501.db2.gz VGRPEWFAVYEPRH-CVEARBPZSA-N 1 3 278.465 3.465 20 0 CGADHO COC1(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)CCCCCC1 ZINC001179918581 809958145 /nfs/dbraw/zinc/95/81/45/809958145.db2.gz CTYXDVFKXXYCJG-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO COC1(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)CCCCCC1 ZINC001179918581 809958149 /nfs/dbraw/zinc/95/81/49/809958149.db2.gz CTYXDVFKXXYCJG-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO Cc1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001184134244 810177918 /nfs/dbraw/zinc/17/79/18/810177918.db2.gz BWJJSIUXDWRXRO-OAHLLOKOSA-N 1 3 278.827 3.080 20 0 CGADHO c1cc(N2CCC[N@@H+](CC3CCCCC3)CC2)ccn1 ZINC001195536883 811265365 /nfs/dbraw/zinc/26/53/65/811265365.db2.gz SMXRRGPBWKMPJG-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO c1cc(N2CCC[N@H+](CC3CCCCC3)CC2)ccn1 ZINC001195536883 811265372 /nfs/dbraw/zinc/26/53/72/811265372.db2.gz SMXRRGPBWKMPJG-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO CCCOc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001204306806 812606317 /nfs/dbraw/zinc/60/63/17/812606317.db2.gz AJHKNIOBNLZPMS-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO c1ccc2c(c1)oc1c2cccc1C[N@@H+]1CCCNCC1 ZINC001204668595 812704552 /nfs/dbraw/zinc/70/45/52/812704552.db2.gz ZFPWVNBZMOIWFN-UHFFFAOYSA-N 1 3 280.371 3.381 20 0 CGADHO c1ccc2c(c1)oc1c2cccc1C[N@H+]1CCCNCC1 ZINC001204668595 812704555 /nfs/dbraw/zinc/70/45/55/812704555.db2.gz ZFPWVNBZMOIWFN-UHFFFAOYSA-N 1 3 280.371 3.381 20 0 CGADHO C[N@H+](CCN)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001204699864 812712339 /nfs/dbraw/zinc/71/23/39/812712339.db2.gz SPMGPXSYIKHWTQ-UHFFFAOYSA-N 1 3 279.387 3.225 20 0 CGADHO C[N@@H+](CCN)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC001204699864 812712343 /nfs/dbraw/zinc/71/23/43/812712343.db2.gz SPMGPXSYIKHWTQ-UHFFFAOYSA-N 1 3 279.387 3.225 20 0 CGADHO Cc1cc(CN2CCCC3(CC[NH2+]CC3)C2)cc(F)c1F ZINC001204735143 812720687 /nfs/dbraw/zinc/72/06/87/812720687.db2.gz LMLAWSYZVQGKMP-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@](C)(N)C1)c1cccc2ccccc21 ZINC001204763428 812728957 /nfs/dbraw/zinc/72/89/57/812728957.db2.gz JYLLLUUAPLNDFM-KDOFPFPSSA-N 1 3 268.404 3.366 20 0 CGADHO C[C@H](C[N@H+]1CC[C@](C)(N)C1)c1cccc2ccccc21 ZINC001204763428 812728961 /nfs/dbraw/zinc/72/89/61/812728961.db2.gz JYLLLUUAPLNDFM-KDOFPFPSSA-N 1 3 268.404 3.366 20 0 CGADHO CC1(CN2CCc3ccc(Cl)cc3C2)CC[NH2+]CC1 ZINC001204855054 812755249 /nfs/dbraw/zinc/75/52/49/812755249.db2.gz YMXREEANNOXHHO-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO C[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1CN ZINC001205130920 812880380 /nfs/dbraw/zinc/88/03/80/812880380.db2.gz QATSVMSCRWLZMP-QFBILLFUSA-N 1 3 294.442 3.345 20 0 CGADHO C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1CN ZINC001205130920 812880388 /nfs/dbraw/zinc/88/03/88/812880388.db2.gz QATSVMSCRWLZMP-QFBILLFUSA-N 1 3 294.442 3.345 20 0 CGADHO Cc1ccc2c(c1)CN(Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001205164303 812894021 /nfs/dbraw/zinc/89/40/21/812894021.db2.gz CEIITUCFMYFDKO-UHFFFAOYSA-N 1 3 292.426 3.199 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC001205266446 812922090 /nfs/dbraw/zinc/92/20/90/812922090.db2.gz UUWMEIJXHUMWSH-MRXNPFEDSA-N 1 3 298.377 3.034 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@](C)([NH3+])CC3)ccc2n1 ZINC001205273121 812924849 /nfs/dbraw/zinc/92/48/49/812924849.db2.gz FLSJRPUDFGLPTD-SFHVURJKSA-N 1 3 283.419 3.247 20 0 CGADHO C[C@@H]1CCN(Cc2cccc3c(F)cccc23)C[C@H]1C[NH3+] ZINC001205319093 812951917 /nfs/dbraw/zinc/95/19/17/812951917.db2.gz YRFHOWIGBGEIOT-UKRRQHHQSA-N 1 3 286.394 3.396 20 0 CGADHO CC(C)=CCC[C@H](C)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205734638 813063780 /nfs/dbraw/zinc/06/37/80/813063780.db2.gz GBYZWJMFTQTQDC-UONOGXRCSA-N 1 3 274.399 3.285 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C2CC2)cc1 ZINC001205912735 813129401 /nfs/dbraw/zinc/12/94/01/813129401.db2.gz BWMMFIFMWTVPBL-CXAGYDPISA-N 1 3 258.409 3.123 20 0 CGADHO CCSc1ccccc1CN1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923100 813135188 /nfs/dbraw/zinc/13/51/88/813135188.db2.gz IPYSTFWKHXBDEJ-KGLIPLIRSA-N 1 3 278.465 3.358 20 0 CGADHO C[C@@H]1CN(Cc2c(F)cccc2Cl)CCC[C@H]1C[NH3+] ZINC001205984730 813152976 /nfs/dbraw/zinc/15/29/76/813152976.db2.gz UPUOVHIIYPICJG-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CN(Cc2cc(Cl)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205995333 813156527 /nfs/dbraw/zinc/15/65/27/813156527.db2.gz NQMNZPDWSYAQJA-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2cccc(F)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206004561 813161703 /nfs/dbraw/zinc/16/17/03/813161703.db2.gz UBGPBVOQEWPIBH-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO CCCCc1ccc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206189819 813233708 /nfs/dbraw/zinc/23/37/08/813233708.db2.gz XQWYINRZJIEQFJ-DLBZAZTESA-N 1 3 278.415 3.290 20 0 CGADHO Cc1ccc(C[N@H+]2CCNC[C@H](C)C2)c2ccccc12 ZINC001206269083 813264397 /nfs/dbraw/zinc/26/43/97/813264397.db2.gz AFUYRSCCIRRNEM-AWEZNQCLSA-N 1 3 268.404 3.190 20 0 CGADHO Cc1ccc(C[N@@H+]2CCNC[C@H](C)C2)c2ccccc12 ZINC001206269083 813264401 /nfs/dbraw/zinc/26/44/01/813264401.db2.gz AFUYRSCCIRRNEM-AWEZNQCLSA-N 1 3 268.404 3.190 20 0 CGADHO C[C@H]1CNCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001206276029 813267129 /nfs/dbraw/zinc/26/71/29/813267129.db2.gz ANUVKSKRGVKABZ-INIZCTEOSA-N 1 3 280.415 3.395 20 0 CGADHO C[C@H]1CNCC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC001206276029 813267133 /nfs/dbraw/zinc/26/71/33/813267133.db2.gz ANUVKSKRGVKABZ-INIZCTEOSA-N 1 3 280.415 3.395 20 0 CGADHO Cc1cc(CN2CCC[C@](C)(C[NH3+])CC2)c(Cl)nc1C ZINC001206334917 813293187 /nfs/dbraw/zinc/29/31/87/813293187.db2.gz ASVFJTPZGYRMMD-INIZCTEOSA-N 1 3 295.858 3.303 20 0 CGADHO C[C@]1(CN)CCCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC001206541783 813343657 /nfs/dbraw/zinc/34/36/57/813343657.db2.gz KGCVVEUERXTIKH-GOSISDBHSA-N 1 3 283.419 3.186 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001206541783 813343662 /nfs/dbraw/zinc/34/36/62/813343662.db2.gz KGCVVEUERXTIKH-GOSISDBHSA-N 1 3 283.419 3.186 20 0 CGADHO CC(C)N(Cc1cccc2c1NCC2)[C@@H]1CCC[NH2+]CC1 ZINC001206599063 813370277 /nfs/dbraw/zinc/37/02/77/813370277.db2.gz NBOISCGNXQJGAD-QGZVFWFLSA-N 1 3 287.451 3.007 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCCC[C@H](C[NH3+])C1 ZINC001206640855 813384667 /nfs/dbraw/zinc/38/46/67/813384667.db2.gz OBUBFPITPLIWGD-CQSZACIVSA-N 1 3 264.388 3.003 20 0 CGADHO CCSc1ccccc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206646890 813385439 /nfs/dbraw/zinc/38/54/39/813385439.db2.gz DXKMXMQVQKRGHT-CQSZACIVSA-N 1 3 278.465 3.359 20 0 CGADHO CC(C)COc1ccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767623 813430698 /nfs/dbraw/zinc/43/06/98/813430698.db2.gz CNPSOOUHUFIKCW-RDJZCZTQSA-N 1 3 290.451 3.281 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@@H]2C1 ZINC001208172095 813725887 /nfs/dbraw/zinc/72/58/87/813725887.db2.gz YOKKARSYJCYZMK-XDNAFOTISA-N 1 3 276.468 3.252 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@@H]2C1 ZINC001208172095 813725889 /nfs/dbraw/zinc/72/58/89/813725889.db2.gz YOKKARSYJCYZMK-XDNAFOTISA-N 1 3 276.468 3.252 20 0 CGADHO CC[N@H+](C)C1CCN(CC2(C)CCCCC2)CC1 ZINC001208907491 813894988 /nfs/dbraw/zinc/89/49/88/813894988.db2.gz JXADBUMRGPJNID-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CC[N@@H+](C)C1CCN(CC2(C)CCCCC2)CC1 ZINC001208907491 813894999 /nfs/dbraw/zinc/89/49/99/813894999.db2.gz JXADBUMRGPJNID-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(C)C1CC[NH+](CC2(C)CCCCC2)CC1 ZINC001208907491 813895007 /nfs/dbraw/zinc/89/50/07/813895007.db2.gz JXADBUMRGPJNID-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO C(CN1CCCCC1)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001209451385 814047115 /nfs/dbraw/zinc/04/71/15/814047115.db2.gz XBNJRFIVKXHMBY-SJORKVTESA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CCCCC1)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001209451385 814047121 /nfs/dbraw/zinc/04/71/21/814047121.db2.gz XBNJRFIVKXHMBY-SJORKVTESA-N 1 3 264.457 3.375 20 0 CGADHO c1cc2c(c(C3=CC[C@@H]([NH+]4CCCC4)CC3)n1)CCN2 ZINC001242688272 823100383 /nfs/dbraw/zinc/10/03/83/823100383.db2.gz GSZAIGCRFHFECA-CQSZACIVSA-N 1 3 269.392 3.081 20 0 CGADHO CN(C)Cc1ccnc(C2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001242690827 823101314 /nfs/dbraw/zinc/10/13/14/823101314.db2.gz JEVMIBDXZDVWHM-KRWDZBQOSA-N 1 3 285.435 3.175 20 0 CGADHO Cc1cc(C[C@@H](C)NC2=CC[C@@H]([NH+]3CCCC3)CC2)on1 ZINC001210705823 814589736 /nfs/dbraw/zinc/58/97/36/814589736.db2.gz WYSRCSOZQYREMK-CZUORRHYSA-N 1 3 289.423 3.036 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC001222141419 816358287 /nfs/dbraw/zinc/35/82/87/816358287.db2.gz KWCSWMPYDLTJDN-YESZJQIVSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC001222141419 816358291 /nfs/dbraw/zinc/35/82/91/816358291.db2.gz KWCSWMPYDLTJDN-YESZJQIVSA-N 1 3 262.441 3.054 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142223 816360174 /nfs/dbraw/zinc/36/01/74/816360174.db2.gz XYBIKRBFSPWCIJ-SJLPKXTDSA-N 1 3 296.499 3.029 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142223 816360181 /nfs/dbraw/zinc/36/01/81/816360181.db2.gz XYBIKRBFSPWCIJ-SJLPKXTDSA-N 1 3 296.499 3.029 20 0 CGADHO Nc1cccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167749 816367363 /nfs/dbraw/zinc/36/73/63/816367363.db2.gz QBLGTGPCBATONF-SFHVURJKSA-N 1 3 287.451 3.015 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)s1 ZINC001222595990 816475315 /nfs/dbraw/zinc/47/53/15/816475315.db2.gz NMQIESCPMDWWGP-QGZVFWFLSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)s1 ZINC001222595990 816475319 /nfs/dbraw/zinc/47/53/19/816475319.db2.gz NMQIESCPMDWWGP-QGZVFWFLSA-N 1 3 298.455 3.246 20 0 CGADHO COc1ccc(CN2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc12 ZINC001222620461 816480729 /nfs/dbraw/zinc/48/07/29/816480729.db2.gz TXFLTZPCWHCVSW-KBXCAEBGSA-N 1 3 296.414 3.032 20 0 CGADHO COc1ccc(C[N@@H+]2CC[C@H]3CNCC[C@H]32)c2ccccc12 ZINC001222620461 816480732 /nfs/dbraw/zinc/48/07/32/816480732.db2.gz TXFLTZPCWHCVSW-KBXCAEBGSA-N 1 3 296.414 3.032 20 0 CGADHO COc1ccc(C[N@H+]2CC[C@H]3CNCC[C@H]32)c2ccccc12 ZINC001222620461 816480735 /nfs/dbraw/zinc/48/07/35/816480735.db2.gz TXFLTZPCWHCVSW-KBXCAEBGSA-N 1 3 296.414 3.032 20 0 CGADHO C[NH2+]Cc1cccc(-c2nc(C)cc3[nH]ccc32)c1 ZINC001242995107 823203374 /nfs/dbraw/zinc/20/33/74/823203374.db2.gz ZUQUQFAVXQGXMF-UHFFFAOYSA-N 1 3 251.333 3.258 20 0 CGADHO c1c2c[nH]ccc-2nc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001232015029 818232060 /nfs/dbraw/zinc/23/20/60/818232060.db2.gz ZVELZIDWSLKGRE-QGZVFWFLSA-N 1 3 298.434 3.013 20 0 CGADHO c1c2cnccc2[nH]c1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001232015029 818232066 /nfs/dbraw/zinc/23/20/66/818232066.db2.gz ZVELZIDWSLKGRE-QGZVFWFLSA-N 1 3 298.434 3.013 20 0 CGADHO c1c2cnccc2[nH]c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001232014924 818232708 /nfs/dbraw/zinc/23/27/08/818232708.db2.gz YHEWSXIKFHJKEA-QGZVFWFLSA-N 1 3 292.386 3.165 20 0 CGADHO c1c2cnccc2[nH]c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001232014924 818232716 /nfs/dbraw/zinc/23/27/16/818232716.db2.gz YHEWSXIKFHJKEA-QGZVFWFLSA-N 1 3 292.386 3.165 20 0 CGADHO C[C@H]1C[N@H+](Cc2cc(F)cc(CN(C)C)c2)C2(CC2)C1 ZINC001232148364 818263647 /nfs/dbraw/zinc/26/36/47/818263647.db2.gz CGHXGLSLMWEHOS-CYBMUJFWSA-N 1 3 276.399 3.262 20 0 CGADHO C[C@H]1C[N@@H+](Cc2cc(F)cc(CN(C)C)c2)C2(CC2)C1 ZINC001232148364 818263653 /nfs/dbraw/zinc/26/36/53/818263653.db2.gz CGHXGLSLMWEHOS-CYBMUJFWSA-N 1 3 276.399 3.262 20 0 CGADHO CC1CC([N@H+](C)Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232144943 818264350 /nfs/dbraw/zinc/26/43/50/818264350.db2.gz PATYVWVPXLPQBA-UHFFFAOYSA-N 1 3 264.388 3.118 20 0 CGADHO CC1CC([N@@H+](C)Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232144943 818264355 /nfs/dbraw/zinc/26/43/55/818264355.db2.gz PATYVWVPXLPQBA-UHFFFAOYSA-N 1 3 264.388 3.118 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1CC2CC1(CN)C2 ZINC001235007907 818977817 /nfs/dbraw/zinc/97/78/17/818977817.db2.gz OGNMYFNHXMHQOA-UHFFFAOYSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1CC2CC1(CN)C2 ZINC001235007907 818977821 /nfs/dbraw/zinc/97/78/21/818977821.db2.gz OGNMYFNHXMHQOA-UHFFFAOYSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CCCC12CCNCC2 ZINC001235139877 819014885 /nfs/dbraw/zinc/01/48/85/819014885.db2.gz FBSSOYLXKKRYOS-UHFFFAOYSA-N 1 3 258.409 3.021 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CCCC12CCNCC2 ZINC001235139877 819014888 /nfs/dbraw/zinc/01/48/88/819014888.db2.gz FBSSOYLXKKRYOS-UHFFFAOYSA-N 1 3 258.409 3.021 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@H+](CCCc1cccc(Cl)c1)C2 ZINC001235238851 819045049 /nfs/dbraw/zinc/04/50/49/819045049.db2.gz BCXOCQRLTPEZJV-GDBMZVCRSA-N 1 3 278.827 3.086 20 0 CGADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001235238851 819045056 /nfs/dbraw/zinc/04/50/56/819045056.db2.gz BCXOCQRLTPEZJV-GDBMZVCRSA-N 1 3 278.827 3.086 20 0 CGADHO Cc1ccc(-c2ccc(CN3C[C@@H]4C[C@H]3C[C@@H]4[NH3+])cc2)o1 ZINC001235257192 819053653 /nfs/dbraw/zinc/05/36/53/819053653.db2.gz WQRGZFWXHTVHKY-ULQDDVLXSA-N 1 3 282.387 3.177 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]3CNCC[C@H]32)cc1 ZINC001235260981 819056357 /nfs/dbraw/zinc/05/63/57/819056357.db2.gz OQSZIKGRLXMBOI-AYOQOUSVSA-N 1 3 286.463 3.282 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CNCC[C@H]32)cc1 ZINC001235260981 819056362 /nfs/dbraw/zinc/05/63/62/819056362.db2.gz OQSZIKGRLXMBOI-AYOQOUSVSA-N 1 3 286.463 3.282 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@H+](CC2CCC2)CC3)cc1 ZINC001235362807 819079345 /nfs/dbraw/zinc/07/93/45/819079345.db2.gz NVKCPVORPRLNPT-MOPGFXCFSA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362807 819079351 /nfs/dbraw/zinc/07/93/51/819079351.db2.gz NVKCPVORPRLNPT-MOPGFXCFSA-N 1 3 284.447 3.040 20 0 CGADHO F[C@@H]1CC[NH2+]C[C@@]12CCN(Cc1cccc3ccccc31)C2 ZINC001235400432 819084316 /nfs/dbraw/zinc/08/43/16/819084316.db2.gz CXOVVLLSYMHSOZ-RTBURBONSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@H+](Cc1cccc3ccccc31)C2 ZINC001235400432 819084320 /nfs/dbraw/zinc/08/43/20/819084320.db2.gz CXOVVLLSYMHSOZ-RTBURBONSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235400432 819084324 /nfs/dbraw/zinc/08/43/24/819084324.db2.gz CXOVVLLSYMHSOZ-RTBURBONSA-N 1 3 298.405 3.363 20 0 CGADHO Cc1ccc(-c2cccc(CN(C)CCC[NH3+])c2)cc1 ZINC001235435807 819099416 /nfs/dbraw/zinc/09/94/16/819099416.db2.gz ZOGHADYQMWHREA-UHFFFAOYSA-N 1 3 268.404 3.443 20 0 CGADHO CC[C@@H](N)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001235676683 819137560 /nfs/dbraw/zinc/13/75/60/819137560.db2.gz UHYKIGAODMMOLV-QGZVFWFLSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001235695654 819144970 /nfs/dbraw/zinc/14/49/70/819144970.db2.gz YHKVUQWOXFISGF-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001235695654 819144973 /nfs/dbraw/zinc/14/49/73/819144973.db2.gz YHKVUQWOXFISGF-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO [NH3+]CCCCCCN1CCSC[C@H]1c1ccc(F)cc1 ZINC001235864468 819189781 /nfs/dbraw/zinc/18/97/81/819189781.db2.gz HQWDAYGOHIDWKM-INIZCTEOSA-N 1 3 296.455 3.435 20 0 CGADHO CC(C)(C)c1c[nH]c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001235888327 819198290 /nfs/dbraw/zinc/19/82/90/819198290.db2.gz NEFGDJBDVRERPW-QGZVFWFLSA-N 1 3 289.467 3.276 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1Cc1ccc2ccsc2c1 ZINC001235925118 819222841 /nfs/dbraw/zinc/22/28/41/819222841.db2.gz BCFHGZGVCUCZQX-AWEZNQCLSA-N 1 3 260.406 3.215 20 0 CGADHO Clc1ccc2c(c1)CCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC001235939481 819234024 /nfs/dbraw/zinc/23/40/24/819234024.db2.gz DTJKRXDAYBWESL-ZDUSSCGKSA-N 1 3 278.827 3.088 20 0 CGADHO COCC[N@H+](CCCC1CCCCC1)C1CCNCC1 ZINC001235947231 819236205 /nfs/dbraw/zinc/23/62/05/819236205.db2.gz ZBRXVODFMGLMHB-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO COCC[N@@H+](CCCC1CCCCC1)C1CCNCC1 ZINC001235947231 819236211 /nfs/dbraw/zinc/23/62/11/819236211.db2.gz ZBRXVODFMGLMHB-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO COCCN(CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC001235947231 819236215 /nfs/dbraw/zinc/23/62/15/819236215.db2.gz ZBRXVODFMGLMHB-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+](C)C[C@@H]1CCCNC1 ZINC001235951369 819241910 /nfs/dbraw/zinc/24/19/10/819241910.db2.gz RLLGNBPJUWVWAW-JKSUJKDBSA-N 1 3 252.446 3.300 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC001235951369 819241912 /nfs/dbraw/zinc/24/19/12/819241912.db2.gz RLLGNBPJUWVWAW-JKSUJKDBSA-N 1 3 252.446 3.300 20 0 CGADHO CCN(Cc1ccc2c(c1)C[NH2+]C2)Cc1cccc(F)c1 ZINC001236043287 819280904 /nfs/dbraw/zinc/28/09/04/819280904.db2.gz YMCHVRGNWOQVLP-UHFFFAOYSA-N 1 3 284.378 3.451 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@H]1CCCC[C@H]1N ZINC001236210333 819371671 /nfs/dbraw/zinc/37/16/71/819371671.db2.gz BNLABUBATIUOBB-WBVHZDCISA-N 1 3 271.408 3.178 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@H+](C)[C@H]1CCCC[C@H]1N ZINC001236210333 819371678 /nfs/dbraw/zinc/37/16/78/819371678.db2.gz BNLABUBATIUOBB-WBVHZDCISA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@H]1N ZINC001236213663 819375536 /nfs/dbraw/zinc/37/55/36/819375536.db2.gz OJCCMGOOJSFMFH-RTBURBONSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@H]1N ZINC001236213663 819375543 /nfs/dbraw/zinc/37/55/43/819375543.db2.gz OJCCMGOOJSFMFH-RTBURBONSA-N 1 3 295.430 3.450 20 0 CGADHO COc1cc(C)c(CN(C)C2(C)CC[NH2+]CC2)c(C)c1C ZINC001236225691 819392350 /nfs/dbraw/zinc/39/23/50/819392350.db2.gz BVJQMCHOMBZLGN-UHFFFAOYSA-N 1 3 290.451 3.194 20 0 CGADHO COc1cc(C)c(C[N@H+](C)C2(C)CCNCC2)c(C)c1C ZINC001236225691 819392359 /nfs/dbraw/zinc/39/23/59/819392359.db2.gz BVJQMCHOMBZLGN-UHFFFAOYSA-N 1 3 290.451 3.194 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)C2(C)CCNCC2)c(C)c1C ZINC001236225691 819392364 /nfs/dbraw/zinc/39/23/64/819392364.db2.gz BVJQMCHOMBZLGN-UHFFFAOYSA-N 1 3 290.451 3.194 20 0 CGADHO Cc1cc(C)c(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)[nH]1 ZINC001236375475 819442980 /nfs/dbraw/zinc/44/29/80/819442980.db2.gz YLOOKUKXBGLXFD-MRXNPFEDSA-N 1 3 289.467 3.376 20 0 CGADHO CCc1cccc2c(CN(CC)C[C@@H]3CC[NH2+]C3)c[nH]c21 ZINC001236408050 819455572 /nfs/dbraw/zinc/45/55/72/819455572.db2.gz KLRBHRIGNFIINL-CQSZACIVSA-N 1 3 285.435 3.162 20 0 CGADHO CCN(Cc1c(C)cc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236407991 819455952 /nfs/dbraw/zinc/45/59/52/819455952.db2.gz LLPXYNDKYCYIRK-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO NCC[N@H+](CCc1cccc(Cl)c1)Cc1ccccc1 ZINC001236522054 819515178 /nfs/dbraw/zinc/51/51/78/819515178.db2.gz KHFMKLVNSWRUDF-UHFFFAOYSA-N 1 3 288.822 3.343 20 0 CGADHO NCC[N@@H+](CCc1cccc(Cl)c1)Cc1ccccc1 ZINC001236522054 819515184 /nfs/dbraw/zinc/51/51/84/819515184.db2.gz KHFMKLVNSWRUDF-UHFFFAOYSA-N 1 3 288.822 3.343 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001236584895 819546261 /nfs/dbraw/zinc/54/62/61/819546261.db2.gz ZSYDCVGBRKWMEI-YESZJQIVSA-N 1 3 276.468 3.443 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC001236584895 819546270 /nfs/dbraw/zinc/54/62/70/819546270.db2.gz ZSYDCVGBRKWMEI-YESZJQIVSA-N 1 3 276.468 3.443 20 0 CGADHO CCc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)s1 ZINC001236636841 819556774 /nfs/dbraw/zinc/55/67/74/819556774.db2.gz KEJAEHICXYBXBQ-UHFFFAOYSA-N 1 3 278.465 3.417 20 0 CGADHO CCc1ccccc1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236638291 819556951 /nfs/dbraw/zinc/55/69/51/819556951.db2.gz YCYJDKZUMLONQS-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCc1ccccc1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236638291 819556956 /nfs/dbraw/zinc/55/69/56/819556956.db2.gz YCYJDKZUMLONQS-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCc1ccccc1CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236638291 819556961 /nfs/dbraw/zinc/55/69/61/819556961.db2.gz YCYJDKZUMLONQS-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236680741 819569678 /nfs/dbraw/zinc/56/96/78/819569678.db2.gz BYCMMMBAADAIDB-GJZGRUSLSA-N 1 3 286.444 3.285 20 0 CGADHO CCCN(Cc1cc(C)c(OC)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236833301 819613438 /nfs/dbraw/zinc/61/34/38/819613438.db2.gz ADHBJDOLFQFFHT-INIZCTEOSA-N 1 3 290.451 3.134 20 0 CGADHO CCCc1ccc(CN(CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236836976 819617441 /nfs/dbraw/zinc/61/74/41/819617441.db2.gz ZTXUFAWVDRYUJP-SFHVURJKSA-N 1 3 274.452 3.461 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@@H+](C)C[C@H](C)N ZINC001236898910 819633594 /nfs/dbraw/zinc/63/35/94/819633594.db2.gz AQRRBTIFQJJBCT-HNNXBMFYSA-N 1 3 268.404 3.441 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@H+](C)C[C@H](C)N ZINC001236898910 819633597 /nfs/dbraw/zinc/63/35/97/819633597.db2.gz AQRRBTIFQJJBCT-HNNXBMFYSA-N 1 3 268.404 3.441 20 0 CGADHO Fc1ccc(CN2CCC(CC3CC[NH2+]CC3)CC2)cc1 ZINC001236949375 819637765 /nfs/dbraw/zinc/63/77/65/819637765.db2.gz UZNNHCMYICTDPM-UHFFFAOYSA-N 1 3 290.426 3.427 20 0 CGADHO C[NH+]1CCC(c2ccc(-c3cccc(CN)n3)cc2)CC1 ZINC001243653697 823475977 /nfs/dbraw/zinc/47/59/77/823475977.db2.gz SJGSIFNRXCACSN-UHFFFAOYSA-N 1 3 281.403 3.017 20 0 CGADHO NCc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC001241388240 821787845 /nfs/dbraw/zinc/78/78/45/821787845.db2.gz CWZQJPLMCFNKIR-UHFFFAOYSA-N 1 3 281.403 3.193 20 0 CGADHO Cc1cnc(C2=CCN(Cc3ccccc3)CC2)c(C[NH3+])c1 ZINC001241502597 821904256 /nfs/dbraw/zinc/90/42/56/821904256.db2.gz NQVOVWGUZOLUDN-UHFFFAOYSA-N 1 3 293.414 3.138 20 0 CGADHO Cc1cnc2ccccc2c1NC1CC[NH+](C2CC2)CC1 ZINC001340375800 936403834 /nfs/dbraw/zinc/40/38/34/936403834.db2.gz KXDKJKGQJVUSPN-UHFFFAOYSA-N 1 3 281.403 3.004 20 0 CGADHO COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C(C)C ZINC001351284979 937013588 /nfs/dbraw/zinc/01/35/88/937013588.db2.gz YMJFSRUABREPEP-BBWFWOEESA-N 1 3 296.499 3.148 20 0 CGADHO CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(F)cc1 ZINC000399002608 926753401 /nfs/dbraw/zinc/75/34/01/926753401.db2.gz DREDYKAFTUXFIG-DAXOMENPSA-N 1 3 264.388 3.253 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163446119 928261245 /nfs/dbraw/zinc/26/12/45/928261245.db2.gz NTNLMXPNEJHTPT-QAPCUYQASA-N 1 3 274.452 3.302 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@H]1CCC[C@@H](C)C1 ZINC001460254644 937522545 /nfs/dbraw/zinc/52/25/45/937522545.db2.gz SOEMLMCSPQNERV-UGUYLWEFSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC001460799573 937546108 /nfs/dbraw/zinc/54/61/08/937546108.db2.gz FHWHNGXBQSHQGC-IXDOHACOSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC001460799573 937546111 /nfs/dbraw/zinc/54/61/11/937546111.db2.gz FHWHNGXBQSHQGC-IXDOHACOSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC001460799572 937546295 /nfs/dbraw/zinc/54/62/95/937546295.db2.gz FHWHNGXBQSHQGC-IKGGRYGDSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3ccncc3)C[C@@H]2C)C1 ZINC001460799572 937546297 /nfs/dbraw/zinc/54/62/97/937546297.db2.gz FHWHNGXBQSHQGC-IKGGRYGDSA-N 1 3 287.451 3.418 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC001461123684 937565275 /nfs/dbraw/zinc/56/52/75/937565275.db2.gz YVRBRHXYOPKLDI-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)c1ccccc1 ZINC001461832099 937600570 /nfs/dbraw/zinc/60/05/70/937600570.db2.gz RXBRAYRBPCYRMV-FCGDIQPGSA-N 1 3 286.463 3.356 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001308966026 933214634 /nfs/dbraw/zinc/21/46/34/933214634.db2.gz LDXFOMVEDCRSAG-HYVNUMGLSA-N 1 3 264.457 3.134 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001319127598 933829935 /nfs/dbraw/zinc/82/99/35/933829935.db2.gz KCURFJCSHVZILH-LSDHHAIUSA-N 1 3 281.403 3.004 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001319127598 933829948 /nfs/dbraw/zinc/82/99/48/933829948.db2.gz KCURFJCSHVZILH-LSDHHAIUSA-N 1 3 281.403 3.004 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454702 934505784 /nfs/dbraw/zinc/50/57/84/934505784.db2.gz GJBASNUSIJVFPX-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454702 934505788 /nfs/dbraw/zinc/50/57/88/934505788.db2.gz GJBASNUSIJVFPX-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454702 934505792 /nfs/dbraw/zinc/50/57/92/934505792.db2.gz GJBASNUSIJVFPX-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454702 934505796 /nfs/dbraw/zinc/50/57/96/934505796.db2.gz GJBASNUSIJVFPX-MOPGFXCFSA-N 1 3 284.447 3.091 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@H](C)c1cccc2ccccc21 ZINC001326034831 934945683 /nfs/dbraw/zinc/94/56/83/934945683.db2.gz AJSWYKQVNDLFFI-UONOGXRCSA-N 1 3 256.393 3.488 20 0 CGADHO CC[NH+](CC)C1CCN(C[C@@H](C)C(C)(C)C)CC1 ZINC001327189970 935038434 /nfs/dbraw/zinc/03/84/34/935038434.db2.gz YQCUWEAXRMXADS-CQSZACIVSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)C1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC001327189970 935038441 /nfs/dbraw/zinc/03/84/41/935038441.db2.gz YQCUWEAXRMXADS-CQSZACIVSA-N 1 3 254.462 3.475 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC001329172393 935192807 /nfs/dbraw/zinc/19/28/07/935192807.db2.gz FSVVRSSQDVLLSA-CQSZACIVSA-N 1 3 272.392 3.254 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c2ccccc21 ZINC001330705967 935315676 /nfs/dbraw/zinc/31/56/76/935315676.db2.gz YJBTYQXFKCFOSW-VILKCFAHSA-N 1 3 278.346 3.155 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cnn(-c2ccccc2)c1 ZINC001331835549 935413585 /nfs/dbraw/zinc/41/35/85/935413585.db2.gz QYBSPXLPXICTGN-RLFYNMQTSA-N 1 3 298.434 3.040 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2sccc2C)C1 ZINC001333419748 935535099 /nfs/dbraw/zinc/53/50/99/935535099.db2.gz AXVDKBUFQFLBIW-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2sccc2C)C1 ZINC001333419748 935535102 /nfs/dbraw/zinc/53/51/02/935535102.db2.gz AXVDKBUFQFLBIW-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCCCC1 ZINC001473809787 937822817 /nfs/dbraw/zinc/82/28/17/937822817.db2.gz QWPUMXFRWIMRRJ-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC1CCCCC1 ZINC001473809787 937822820 /nfs/dbraw/zinc/82/28/20/937822820.db2.gz QWPUMXFRWIMRRJ-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO CN(C)CC1(C[NH2+]C/C=C/c2ccccc2)CCCC1 ZINC001474106782 937840655 /nfs/dbraw/zinc/84/06/55/937840655.db2.gz ONCNWFKVLXFBSR-DHZHZOJOSA-N 1 3 272.436 3.411 20 0 CGADHO CCCSC[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC001474498075 937863143 /nfs/dbraw/zinc/86/31/43/937863143.db2.gz OIWGPXNSXZOFNZ-CQSZACIVSA-N 1 3 272.502 3.230 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC001549711934 938158784 /nfs/dbraw/zinc/15/87/84/938158784.db2.gz ZUZBVTFPOGUCLD-LVQVYYBASA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1[C@H](c3ccccc3)C1(C)C)[NH2+]2 ZINC001550474646 938166784 /nfs/dbraw/zinc/16/67/84/938166784.db2.gz LCDVGJIJCZRQRQ-WMVAYQGLSA-N 1 3 284.447 3.297 20 0 CGADHO FC(F)(F)[C@]12CCC[C@@H]1CN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC001550705005 938170274 /nfs/dbraw/zinc/17/02/74/938170274.db2.gz WWJXAKHPDOZIBF-MCIONIFRSA-N 1 3 290.373 3.041 20 0 CGADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C(C)(C)C ZINC001551389138 938181088 /nfs/dbraw/zinc/18/10/88/938181088.db2.gz IXSRWSLGQAAYHR-UQPPLGOBSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CC[C@@H](C)C1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551401212 938181413 /nfs/dbraw/zinc/18/14/13/938181413.db2.gz QYBVRWWKICVVOL-RSIVFMTNSA-N 1 3 294.483 3.044 20 0 CGADHO NC[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001552412696 938191822 /nfs/dbraw/zinc/19/18/22/938191822.db2.gz UOKDTZUGVGSBCC-XYJFISCASA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001552412696 938191823 /nfs/dbraw/zinc/19/18/23/938191823.db2.gz UOKDTZUGVGSBCC-XYJFISCASA-N 1 3 272.436 3.241 20 0 CGADHO CNc1ccccc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC001560810654 938277057 /nfs/dbraw/zinc/27/70/57/938277057.db2.gz IBYXUSQZPFCJDZ-UHFFFAOYSA-N 1 3 297.446 3.422 20 0 CGADHO CC(C)(c1ccccc1)C1(NC[C@@]2(C)CC[NH2+]C2)CC1 ZINC001576518740 960479787 /nfs/dbraw/zinc/47/97/87/960479787.db2.gz GBUXXEPYDKSKKW-KRWDZBQOSA-N 1 3 272.436 3.086 20 0 CGADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001579467544 960483699 /nfs/dbraw/zinc/48/36/99/960483699.db2.gz NLUWXAGLLRSPKU-KBUPBQIOSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCN1 ZINC001575546039 962388843 /nfs/dbraw/zinc/38/88/43/962388843.db2.gz SCZAJIRODLHGCL-JKSUJKDBSA-N 1 3 280.843 3.249 20 0 CGADHO CC1(C)CC[C@H](CN[C@H]2CCOC3(CCCCC3)C2)[NH2+]C1 ZINC001576422175 962455202 /nfs/dbraw/zinc/45/52/02/962455202.db2.gz TYNCVOWWSOLNOI-JKSUJKDBSA-N 1 3 294.483 3.236 20 0 CGADHO CC1(C)CC[C@@H](CN[C@H]2CCC23CCCC3)[NH2+]C1 ZINC001576421297 962459782 /nfs/dbraw/zinc/45/97/82/962459782.db2.gz LPNOKNMKZTWNIJ-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO CC1([NH3+])CCN(CCCSCc2ccccc2)CC1 ZINC001576530778 962464960 /nfs/dbraw/zinc/46/49/60/962464960.db2.gz OMUBBIIRHAMCHK-UHFFFAOYSA-N 1 3 278.465 3.123 20 0 CGADHO C[C@]1(C[NH2+]CCC2CCCCCC2)CCCNC1 ZINC001576526110 962466693 /nfs/dbraw/zinc/46/66/93/962466693.db2.gz NRWAFOMWHCSNAL-INIZCTEOSA-N 1 3 252.446 3.326 20 0 CGADHO CC(C)(C[NH2+]C[C@@]1(C)CCCNC1)C1=CCCC1 ZINC001576519588 962469096 /nfs/dbraw/zinc/46/90/96/962469096.db2.gz SAMUDGCLOAIWBF-INIZCTEOSA-N 1 3 250.430 3.102 20 0 CGADHO C[C@@H]1CCCN(CCc2ccccc2Cl)[C@H]1CC[NH3+] ZINC001576708415 962481534 /nfs/dbraw/zinc/48/15/34/962481534.db2.gz DBCXOTZNQRXVHA-CJNGLKHVSA-N 1 3 280.843 3.332 20 0 CGADHO CCC[C@@H](C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001577341197 962529629 /nfs/dbraw/zinc/52/96/29/962529629.db2.gz UTKUSRHDOAEAEQ-PMPSAXMXSA-N 1 3 252.446 3.264 20 0 CGADHO CCC[C@@H](C)CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001577341197 962529643 /nfs/dbraw/zinc/52/96/43/962529643.db2.gz UTKUSRHDOAEAEQ-PMPSAXMXSA-N 1 3 252.446 3.264 20 0 CGADHO CCOc1ccc(CN2CCC3(CCC[C@@H]3C[NH3+])CC2)o1 ZINC001578179660 962574717 /nfs/dbraw/zinc/57/47/17/962574717.db2.gz VXVFGNBVIXYDRT-CQSZACIVSA-N 1 3 292.423 3.019 20 0 CGADHO Cc1cc(F)ccc1CNCC[C@H]([NH3+])Cc1ccccc1 ZINC001579613772 962643094 /nfs/dbraw/zinc/64/30/94/962643094.db2.gz LNCDYWNPSLYBDP-SFHVURJKSA-N 1 3 286.394 3.184 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CCCCN1)[C@H](C)C2 ZINC001579738355 962664254 /nfs/dbraw/zinc/66/42/54/962664254.db2.gz ZEZPFCZOEFJZTD-NONVJHHQSA-N 1 3 272.436 3.349 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](CN)C(C)C)C1 ZINC001579795335 962672926 /nfs/dbraw/zinc/67/29/26/962672926.db2.gz NPYWMHAQYQIBIC-HOTGVXAUSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@H+](C[C@H](CN)C(C)C)C1 ZINC001579795335 962672937 /nfs/dbraw/zinc/67/29/37/962672937.db2.gz NPYWMHAQYQIBIC-HOTGVXAUSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1cccnc1CCCNC[C@H]([NH3+])CCC(C)(C)C ZINC001579807837 962677254 /nfs/dbraw/zinc/67/72/54/962677254.db2.gz PWEQOXGLDBAVSI-OAHLLOKOSA-N 1 3 277.456 3.066 20 0 CGADHO Cc1scc(CNCC[C@@H]([NH3+])Cc2ccccc2)c1C ZINC001579937587 962681936 /nfs/dbraw/zinc/68/19/36/962681936.db2.gz ZBIYZINKRKWTFL-QGZVFWFLSA-N 1 3 288.460 3.415 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)s1 ZINC000621717235 349562342 /nfs/dbraw/zinc/56/23/42/349562342.db2.gz ZWOPJWYPJGISAH-ZDUSSCGKSA-N 1 3 266.454 3.084 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)s1 ZINC000621717235 349562345 /nfs/dbraw/zinc/56/23/45/349562345.db2.gz ZWOPJWYPJGISAH-ZDUSSCGKSA-N 1 3 266.454 3.084 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C(C)(C)c1ccccc1 ZINC000423366672 290011799 /nfs/dbraw/zinc/01/17/99/290011799.db2.gz BZTJSNPYFVPWDQ-CWRNSKLLSA-N 1 3 260.425 3.212 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000651680697 398268638 /nfs/dbraw/zinc/26/86/38/398268638.db2.gz OHQUEWKWWUYTJS-FXUDXRNXSA-N 1 3 250.430 3.172 20 0 CGADHO COC[C@H](CC(C)(C)C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000651749867 398281808 /nfs/dbraw/zinc/28/18/08/398281808.db2.gz LYFPYKSVRULYJX-AWEZNQCLSA-N 1 3 284.488 3.336 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000651749867 398281813 /nfs/dbraw/zinc/28/18/13/398281813.db2.gz LYFPYKSVRULYJX-AWEZNQCLSA-N 1 3 284.488 3.336 20 0 CGADHO CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000651808381 398290676 /nfs/dbraw/zinc/29/06/76/398290676.db2.gz PADUWRKDWCFWLZ-BZUAXINKSA-N 1 3 252.446 3.275 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000337380611 282148761 /nfs/dbraw/zinc/14/87/61/282148761.db2.gz DAHWNBBFOVGZNU-KURKYZTESA-N 1 3 272.436 3.417 20 0 CGADHO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC[C@H](C)N)cc1 ZINC000622045629 349623065 /nfs/dbraw/zinc/62/30/65/349623065.db2.gz HQNSBARSSZAJPV-CGFBPQRUSA-N 1 3 290.451 3.290 20 0 CGADHO C/C=C/COc1ccc(CC[C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000622045629 349623068 /nfs/dbraw/zinc/62/30/68/349623068.db2.gz HQNSBARSSZAJPV-CGFBPQRUSA-N 1 3 290.451 3.290 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000125524889 187189558 /nfs/dbraw/zinc/18/95/58/187189558.db2.gz WSBZPFIZWNNPOA-KRWDZBQOSA-N 1 3 295.430 3.132 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000125524889 187189559 /nfs/dbraw/zinc/18/95/59/187189559.db2.gz WSBZPFIZWNNPOA-KRWDZBQOSA-N 1 3 295.430 3.132 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)CC1 ZINC000334555368 282187520 /nfs/dbraw/zinc/18/75/20/282187520.db2.gz DLRDHMZKWGSMAW-CQSZACIVSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC000334555368 282187522 /nfs/dbraw/zinc/18/75/22/282187522.db2.gz DLRDHMZKWGSMAW-CQSZACIVSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CC2CCC(F)(F)CC2)CC1 ZINC000334555368 282187523 /nfs/dbraw/zinc/18/75/23/282187523.db2.gz DLRDHMZKWGSMAW-CQSZACIVSA-N 1 3 274.399 3.228 20 0 CGADHO CC[C@@H](F)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000440784226 529551420 /nfs/dbraw/zinc/55/14/20/529551420.db2.gz MLLSTHSHPOPZMB-MRXNPFEDSA-N 1 3 270.436 3.323 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)N)c1ccc(OC(F)(F)F)cc1 ZINC000423287991 529589424 /nfs/dbraw/zinc/58/94/24/529589424.db2.gz PVCULBFRYDUTLU-LBPRGKRZSA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(Cl)cc1 ZINC000423257925 529611397 /nfs/dbraw/zinc/61/13/97/529611397.db2.gz ASQIDMQYGZGHAK-KGLIPLIRSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000449104681 529596124 /nfs/dbraw/zinc/59/61/24/529596124.db2.gz WLXPKCAKYKPOAL-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(OC(F)(F)F)cc1 ZINC000423468543 529665952 /nfs/dbraw/zinc/66/59/52/529665952.db2.gz OMFJPPRDLAATMC-BREBYQMCSA-N 1 3 290.329 3.362 20 0 CGADHO Cc1cccc(O[C@@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432501 349807879 /nfs/dbraw/zinc/80/78/79/349807879.db2.gz VASNTQRLUVMSQL-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(O[C@@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432501 349807882 /nfs/dbraw/zinc/80/78/82/349807882.db2.gz VASNTQRLUVMSQL-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccsc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000126821696 187265158 /nfs/dbraw/zinc/26/51/58/187265158.db2.gz FJGZVASHGJIHGC-HUUCEWRRSA-N 1 3 296.480 3.036 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073104 529799881 /nfs/dbraw/zinc/79/98/81/529799881.db2.gz WHUPDEJGMXRPBX-YDZRNGNQSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073104 529799882 /nfs/dbraw/zinc/79/98/82/529799882.db2.gz WHUPDEJGMXRPBX-YDZRNGNQSA-N 1 3 284.447 3.206 20 0 CGADHO CO[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573519 349839191 /nfs/dbraw/zinc/83/91/91/349839191.db2.gz LSAIJGBJLMCUTE-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573519 349839194 /nfs/dbraw/zinc/83/91/94/349839194.db2.gz LSAIJGBJLMCUTE-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C[C@@H]1C ZINC000623657211 349858245 /nfs/dbraw/zinc/85/82/45/349858245.db2.gz LGZICMFVYKNUHJ-UGUYLWEFSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC000302151972 136448903 /nfs/dbraw/zinc/44/89/03/136448903.db2.gz KXIVKGZOSKAGOP-AWEZNQCLSA-N 1 3 269.392 3.074 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)c1cccc2ccccc21 ZINC000423279696 529999379 /nfs/dbraw/zinc/99/93/79/529999379.db2.gz SUNBMZVWSNODCT-KBPBESRZSA-N 1 3 256.393 3.346 20 0 CGADHO Cc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000040620625 344964094 /nfs/dbraw/zinc/96/40/94/344964094.db2.gz IMCFRBJCBANGBK-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620625 344964095 /nfs/dbraw/zinc/96/40/95/344964095.db2.gz IMCFRBJCBANGBK-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cc(F)ccc2F)CC1 ZINC000044517458 345012031 /nfs/dbraw/zinc/01/20/31/345012031.db2.gz USBOHFYMQGKDNL-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO CCc1ccc(CN2CCCC[C@@H]2CC[NH3+])s1 ZINC000070148513 345388554 /nfs/dbraw/zinc/38/85/54/345388554.db2.gz HFWWZXJMJOHBLC-GFCCVEGCSA-N 1 3 252.427 3.014 20 0 CGADHO Cc1ccc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000075206861 345497183 /nfs/dbraw/zinc/49/71/83/345497183.db2.gz QOILWXKVRHBTTI-ALOPSCKCSA-N 1 3 258.409 3.018 20 0 CGADHO CC[NH+](CC)CCOC1CCN(Cc2ccccc2)CC1 ZINC000080650836 345681598 /nfs/dbraw/zinc/68/15/98/345681598.db2.gz CRLNMAMATYGVJN-UHFFFAOYSA-N 1 3 290.451 3.009 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000089551747 345771028 /nfs/dbraw/zinc/77/10/28/345771028.db2.gz QRMYRMPJEMNXMS-MPGHIAIKSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H](c1cccc2ccccc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119957 345940336 /nfs/dbraw/zinc/94/03/36/345940336.db2.gz IFXHWACCFBICPY-CWRNSKLLSA-N 1 3 266.388 3.052 20 0 CGADHO CCC[C@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000125340577 346016480 /nfs/dbraw/zinc/01/64/80/346016480.db2.gz NRWNRLUZPDFWLR-OAGGEKHMSA-N 1 3 270.461 3.044 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227871610 346311509 /nfs/dbraw/zinc/31/15/09/346311509.db2.gz OVQQFLWKHBTETD-DJIMGWMZSA-N 1 3 264.457 3.275 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248886177 346379536 /nfs/dbraw/zinc/37/95/36/346379536.db2.gz MDAKJRQMGYKNMI-IIDMSEBBSA-N 1 3 289.467 3.327 20 0 CGADHO CCCNc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000248886177 346379542 /nfs/dbraw/zinc/37/95/42/346379542.db2.gz MDAKJRQMGYKNMI-IIDMSEBBSA-N 1 3 289.467 3.327 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1 ZINC000624119705 349975771 /nfs/dbraw/zinc/97/57/71/349975771.db2.gz HNENKWPLUYQBRA-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000624119705 349975775 /nfs/dbraw/zinc/97/57/75/349975775.db2.gz HNENKWPLUYQBRA-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000624119705 349975778 /nfs/dbraw/zinc/97/57/78/349975778.db2.gz HNENKWPLUYQBRA-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(CCSc2ccc(Cl)cc2)C1 ZINC000351851278 219225420 /nfs/dbraw/zinc/22/54/20/219225420.db2.gz KZJVQYFHKLQJHX-RYUDHWBXSA-N 1 3 284.856 3.101 20 0 CGADHO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCC2 ZINC000624120623 349977300 /nfs/dbraw/zinc/97/73/00/349977300.db2.gz CQRZJHOIQIKEAN-KBPBESRZSA-N 1 3 293.480 3.150 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120697 349978718 /nfs/dbraw/zinc/97/87/18/349978718.db2.gz FIYFIXCUQHBGJA-DOTOQJQBSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121891 349979822 /nfs/dbraw/zinc/97/98/22/349979822.db2.gz FTPWGMIEDPOFPU-GOEBONIOSA-N 1 3 280.481 3.391 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121229 349978483 /nfs/dbraw/zinc/97/84/83/349978483.db2.gz QNEGJVCMDXZCPZ-GJZGRUSLSA-N 1 3 280.481 3.391 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000624122497 349981591 /nfs/dbraw/zinc/98/15/91/349981591.db2.gz SRLMNRKFRBHTBA-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000624122497 349981595 /nfs/dbraw/zinc/98/15/95/349981595.db2.gz SRLMNRKFRBHTBA-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000624122497 349981600 /nfs/dbraw/zinc/98/16/00/349981600.db2.gz SRLMNRKFRBHTBA-QAPCUYQASA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000339408239 215152638 /nfs/dbraw/zinc/15/26/38/215152638.db2.gz WJPZFUBVCSQVHK-UAGQMJEPSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000339408239 215152640 /nfs/dbraw/zinc/15/26/40/215152640.db2.gz WJPZFUBVCSQVHK-UAGQMJEPSA-N 1 3 260.425 3.095 20 0 CGADHO C/C=C\CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000624198887 349999750 /nfs/dbraw/zinc/99/97/50/349999750.db2.gz AWGXFNRBAGSVSL-QGZUEGPWSA-N 1 3 272.436 3.248 20 0 CGADHO C[C@H](F)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014681 219290077 /nfs/dbraw/zinc/29/00/77/219290077.db2.gz NUQFSGUKRJGAAK-RDJZCZTQSA-N 1 3 278.415 3.188 20 0 CGADHO C[C@H](F)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014681 219290079 /nfs/dbraw/zinc/29/00/79/219290079.db2.gz NUQFSGUKRJGAAK-RDJZCZTQSA-N 1 3 278.415 3.188 20 0 CGADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@H](C)C1(F)F ZINC000625652163 350190151 /nfs/dbraw/zinc/19/01/51/350190151.db2.gz BXCPZWHHKGNUEY-OKILXGFUSA-N 1 3 274.399 3.086 20 0 CGADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@H](C)C1(F)F ZINC000625652163 350190152 /nfs/dbraw/zinc/19/01/52/350190152.db2.gz BXCPZWHHKGNUEY-OKILXGFUSA-N 1 3 274.399 3.086 20 0 CGADHO CC1(C2CC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000352176960 219347025 /nfs/dbraw/zinc/34/70/25/219347025.db2.gz WLIYTGJVLZWRJD-UHFFFAOYSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1cc(F)cc(F)c1 ZINC000628425886 350536525 /nfs/dbraw/zinc/53/65/25/350536525.db2.gz YKKXTEUQBRZMCC-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H](CNC[C@H]1CCCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425886 350536528 /nfs/dbraw/zinc/53/65/28/350536528.db2.gz YKKXTEUQBRZMCC-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H](CNC[C@H]1CCCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000628425886 350536533 /nfs/dbraw/zinc/53/65/33/350536533.db2.gz YKKXTEUQBRZMCC-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000629527027 350703089 /nfs/dbraw/zinc/70/30/89/350703089.db2.gz IFLRADRKAVDTTA-XLAORIBOSA-N 1 3 272.436 3.128 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000629531197 350703900 /nfs/dbraw/zinc/70/39/00/350703900.db2.gz CZQCAKZGKCBXDB-XSLAGTTESA-N 1 3 296.499 3.338 20 0 CGADHO C[NH2+]CCOCCN[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000629529196 350704425 /nfs/dbraw/zinc/70/44/25/350704425.db2.gz UYPXLWKICPFJRH-MRXNPFEDSA-N 1 3 298.430 3.240 20 0 CGADHO CC(C)[C@H](NCCOCCC[NH3+])c1cc2ccccc2o1 ZINC000629538045 350705872 /nfs/dbraw/zinc/70/58/72/350705872.db2.gz LUAOEEZKOJOBMG-KRWDZBQOSA-N 1 3 290.407 3.085 20 0 CGADHO CCc1c2ccccc2oc1[C@H](C)NCCOCCC[NH3+] ZINC000629538973 350706516 /nfs/dbraw/zinc/70/65/16/350706516.db2.gz OJLNCIQAOOJWJY-ZDUSSCGKSA-N 1 3 290.407 3.011 20 0 CGADHO C[C@@H]1CC2(CN1Cc1cc(O)ccc1Cl)CC[NH2+]CC2 ZINC000629539247 350706949 /nfs/dbraw/zinc/70/69/49/350706949.db2.gz PBMZSRDIGBMQMU-GFCCVEGCSA-N 1 3 294.826 3.010 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@H](Cc3ccccc3)C2)C[NH2+]1 ZINC000629542669 350707471 /nfs/dbraw/zinc/70/74/71/350707471.db2.gz INYQOLHNTMSZPV-DDBAPUKQSA-N 1 3 272.436 3.128 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000629554649 350712232 /nfs/dbraw/zinc/71/22/32/350712232.db2.gz LVWFWHDRFAFVHZ-GXTWGEPZSA-N 1 3 273.424 3.080 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000629556467 350713123 /nfs/dbraw/zinc/71/31/23/350713123.db2.gz QCNGDPOLYXBSSL-UHOFOFEASA-N 1 3 278.827 3.434 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565457 350714197 /nfs/dbraw/zinc/71/41/97/350714197.db2.gz VTJFSVCHZZQKJU-SYQHCUMBSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1 ZINC000629565457 350714199 /nfs/dbraw/zinc/71/41/99/350714199.db2.gz VTJFSVCHZZQKJU-SYQHCUMBSA-N 1 3 292.389 3.272 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1 ZINC000629565457 350714202 /nfs/dbraw/zinc/71/42/02/350714202.db2.gz VTJFSVCHZZQKJU-SYQHCUMBSA-N 1 3 292.389 3.272 20 0 CGADHO CC(C)(CCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000629566083 350714245 /nfs/dbraw/zinc/71/42/45/350714245.db2.gz YDAZZFZIXVCNTD-WCQYABFASA-N 1 3 292.389 3.272 20 0 CGADHO Cc1ccc2ncc(CN3CCC([C@H](C)[NH3+])CC3)cc2c1 ZINC000629511875 350698616 /nfs/dbraw/zinc/69/86/16/350698616.db2.gz NBXCKPIOGODZDW-AWEZNQCLSA-N 1 3 283.419 3.102 20 0 CGADHO CN(C)Cc1ccc(F)c(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC000629737695 350759701 /nfs/dbraw/zinc/75/97/01/350759701.db2.gz XRWOTGJXWFUESN-UHFFFAOYSA-N 1 3 284.378 3.200 20 0 CGADHO CN(C)CCOc1cccc(-c2cccc3c2CC[C@H]3[NH3+])c1 ZINC000629699878 350743251 /nfs/dbraw/zinc/74/32/51/350743251.db2.gz CJBMHEHUJQLSOX-LJQANCHMSA-N 1 3 296.414 3.240 20 0 CGADHO Cc1scc(C[NH2+]C[C@H]2CCCCN(C)C2)c1C ZINC000631181501 350981014 /nfs/dbraw/zinc/98/10/14/350981014.db2.gz QHVLIDYXRKDVIQ-CQSZACIVSA-N 1 3 266.454 3.186 20 0 CGADHO FC(F)(F)c1ccc2c(c1)CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000631834567 351149507 /nfs/dbraw/zinc/14/95/07/351149507.db2.gz ADKVQZFRERZSLX-GFCCVEGCSA-N 1 3 298.352 3.063 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635008315 351626586 /nfs/dbraw/zinc/62/65/86/351626586.db2.gz RKJUTTVXRDNSFI-IXDOHACOSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)c(C)n1 ZINC000635012979 351630513 /nfs/dbraw/zinc/63/05/13/351630513.db2.gz XZRKEOXTAKUALX-AWEZNQCLSA-N 1 3 295.430 3.195 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000122059030 187012562 /nfs/dbraw/zinc/01/25/62/187012562.db2.gz VKZNZLYAZJPMSV-JKSUJKDBSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@H](c1ccco1)c1ccccc1 ZINC000312477990 295852808 /nfs/dbraw/zinc/85/28/08/295852808.db2.gz YCVARVSANBLZQB-YOEHRIQHSA-N 1 3 272.392 3.476 20 0 CGADHO C[NH+](C)C[C@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000158149054 188360806 /nfs/dbraw/zinc/36/08/06/188360806.db2.gz BZWVRSFAGJQZBE-OAHLLOKOSA-N 1 3 280.843 3.156 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000271877030 191384058 /nfs/dbraw/zinc/38/40/58/191384058.db2.gz OLKCHMNXNQCKPD-IBGZPJMESA-N 1 3 286.463 3.495 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271904011 191399923 /nfs/dbraw/zinc/39/99/23/191399923.db2.gz WCOCRAHNXACUOF-LSDHHAIUSA-N 1 3 288.435 3.039 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191352 235359131 /nfs/dbraw/zinc/35/91/31/235359131.db2.gz SKLVSIFFRAWFAO-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191352 235359132 /nfs/dbraw/zinc/35/91/32/235359132.db2.gz SKLVSIFFRAWFAO-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000414170421 235352798 /nfs/dbraw/zinc/35/27/98/235352798.db2.gz BZEYJEOWXUNNDO-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170421 235352800 /nfs/dbraw/zinc/35/28/00/235352800.db2.gz BZEYJEOWXUNNDO-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2(C)CCNCC2)C1 ZINC000414932145 235496890 /nfs/dbraw/zinc/49/68/90/235496890.db2.gz CIYGJDDKVXYBSU-IRXDYDNUSA-N 1 3 272.436 3.229 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000093491350 138346786 /nfs/dbraw/zinc/34/67/86/138346786.db2.gz XUPYNFDYDDOXTK-HRCADAONSA-N 1 3 278.465 3.457 20 0 CGADHO Cc1ccc2cc(C[NH2+]CCCN3CCCC3)ccc2n1 ZINC000097861317 138349201 /nfs/dbraw/zinc/34/92/01/138349201.db2.gz QRINRJLDDKQLBT-UHFFFAOYSA-N 1 3 283.419 3.119 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000126571845 138386111 /nfs/dbraw/zinc/38/61/11/138386111.db2.gz YMXVQENWXDMUDW-HOTGVXAUSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000126571845 138386112 /nfs/dbraw/zinc/38/61/12/138386112.db2.gz YMXVQENWXDMUDW-HOTGVXAUSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000126571845 138386113 /nfs/dbraw/zinc/38/61/13/138386113.db2.gz YMXVQENWXDMUDW-HOTGVXAUSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423228250 236003106 /nfs/dbraw/zinc/00/31/06/236003106.db2.gz YXBRJEOMQBISBJ-WHOFXGATSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423228250 236003108 /nfs/dbraw/zinc/00/31/08/236003108.db2.gz YXBRJEOMQBISBJ-WHOFXGATSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1ccncc1[C@@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423292457 236027240 /nfs/dbraw/zinc/02/72/40/236027240.db2.gz NCQDRLIWPLXYRQ-UONOGXRCSA-N 1 3 269.392 3.261 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000423294085 236027283 /nfs/dbraw/zinc/02/72/83/236027283.db2.gz BGFSEGPODBNRSL-MLGOLLRUSA-N 1 3 264.388 3.241 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc(C)c1F ZINC000423273067 236016945 /nfs/dbraw/zinc/01/69/45/236016945.db2.gz KGXAOJUTXGKVBW-TZMCWYRMSA-N 1 3 252.377 3.076 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc(C)c1F ZINC000423273065 236017874 /nfs/dbraw/zinc/01/78/74/236017874.db2.gz KGXAOJUTXGKVBW-JSGCOSHPSA-N 1 3 252.377 3.076 20 0 CGADHO Cc1cc([C@H](C)NCC2=CC[NH2+]CC2)cc(C)c1F ZINC000423344507 236045289 /nfs/dbraw/zinc/04/52/89/236045289.db2.gz NAFNDIPHIPYAAR-ZDUSSCGKSA-N 1 3 262.372 3.013 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(F)c2ccccc21 ZINC000423303279 236032490 /nfs/dbraw/zinc/03/24/90/236032490.db2.gz ISWCOIDRIBRPGX-VXGBXAGGSA-N 1 3 260.356 3.224 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000423388223 236059522 /nfs/dbraw/zinc/05/95/22/236059522.db2.gz IIJICJGGNPEDIT-LAVFITLUSA-N 1 3 272.436 3.300 20 0 CGADHO COCCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423364100 236050228 /nfs/dbraw/zinc/05/02/28/236050228.db2.gz JKOIQDDXWHSWSF-ZACQAIPSSA-N 1 3 294.414 3.153 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423366108 236052106 /nfs/dbraw/zinc/05/21/06/236052106.db2.gz BNACDVKVRNQAJH-KOFHJDLBSA-N 1 3 276.399 3.309 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423370308 236052350 /nfs/dbraw/zinc/05/23/50/236052350.db2.gz PKJQJZGFQYPTLY-DFBGVHRSSA-N 1 3 282.378 3.145 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423371391 236053032 /nfs/dbraw/zinc/05/30/32/236053032.db2.gz QGGZHKOQDBFIBW-GJEMEMOUSA-N 1 3 280.456 3.116 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)cc1 ZINC000423373299 236053898 /nfs/dbraw/zinc/05/38/98/236053898.db2.gz JDMPZERSZUNKGI-XKQJLSEDSA-N 1 3 258.409 3.176 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C2CC2)cc1 ZINC000423373299 236053901 /nfs/dbraw/zinc/05/39/01/236053901.db2.gz JDMPZERSZUNKGI-XKQJLSEDSA-N 1 3 258.409 3.176 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CCN1 ZINC000423380587 236056053 /nfs/dbraw/zinc/05/60/53/236056053.db2.gz NBFSQTFSAIZRSK-VMGRFDJRSA-N 1 3 292.854 3.391 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2Cl)C2CC2)CC[NH2+]1 ZINC000423380587 236056055 /nfs/dbraw/zinc/05/60/55/236056055.db2.gz NBFSQTFSAIZRSK-VMGRFDJRSA-N 1 3 292.854 3.391 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423380154 236056581 /nfs/dbraw/zinc/05/65/81/236056581.db2.gz GZLXRMACKWHCHR-STQMWFEESA-N 1 3 266.454 3.485 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1F ZINC000423463299 236076704 /nfs/dbraw/zinc/07/67/04/236076704.db2.gz FLXZEXQNSMAXOV-SDDRHHMPSA-N 1 3 268.351 3.133 20 0 CGADHO COc1ccc([C@@H](C)NCCC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000423477170 236080952 /nfs/dbraw/zinc/08/09/52/236080952.db2.gz JRPGZDVWCYXLPF-CHWSQXEVSA-N 1 3 280.387 3.017 20 0 CGADHO C[C@H](N[C@H]1CCCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423559199 236099070 /nfs/dbraw/zinc/09/90/70/236099070.db2.gz ORTSONCUCZEKHJ-ABXWRUBCSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H]1CC2(CN1Cc1cc(Cl)cs1)CC[NH2+]CC2 ZINC000424369376 236157649 /nfs/dbraw/zinc/15/76/49/236157649.db2.gz BHWMNRJCRCZVSQ-NSHDSACASA-N 1 3 284.856 3.366 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)CN(C)C ZINC000425922164 236273038 /nfs/dbraw/zinc/27/30/38/236273038.db2.gz MRECDIQFPYWVPZ-KBAYOESNSA-N 1 3 274.452 3.185 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)C1(c2ccccc2)CCCC1 ZINC000423046411 299273542 /nfs/dbraw/zinc/27/35/42/299273542.db2.gz DNRUUERICSKILL-HNNXBMFYSA-N 1 3 272.436 3.229 20 0 CGADHO C[C@H](NC1CC[NH2+]CC1)C1(c2ccccc2)CCCC1 ZINC000423046411 299273545 /nfs/dbraw/zinc/27/35/45/299273545.db2.gz DNRUUERICSKILL-HNNXBMFYSA-N 1 3 272.436 3.229 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437782844 283433816 /nfs/dbraw/zinc/43/38/16/283433816.db2.gz ZJZGUTMWMHPJHT-UONOGXRCSA-N 1 3 286.341 3.280 20 0 CGADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000156462637 299289818 /nfs/dbraw/zinc/28/98/18/299289818.db2.gz ZZSFAQZFMDMBNY-ZACQAIPSSA-N 1 3 289.467 3.490 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](c1ccccc1)C1CCCC1 ZINC000423272297 283543064 /nfs/dbraw/zinc/54/30/64/283543064.db2.gz JTQINKDQDBTEEF-RHSMWYFYSA-N 1 3 260.425 3.363 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182491667 189325754 /nfs/dbraw/zinc/32/57/54/189325754.db2.gz QKOQUINOHAKEMN-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182491667 189325755 /nfs/dbraw/zinc/32/57/55/189325755.db2.gz QKOQUINOHAKEMN-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182491667 189325756 /nfs/dbraw/zinc/32/57/56/189325756.db2.gz QKOQUINOHAKEMN-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182827558 189336183 /nfs/dbraw/zinc/33/61/83/189336183.db2.gz SKYIQOYFTSCESP-MRXNPFEDSA-N 1 3 278.415 3.032 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182827558 189336184 /nfs/dbraw/zinc/33/61/84/189336184.db2.gz SKYIQOYFTSCESP-MRXNPFEDSA-N 1 3 278.415 3.032 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258332 189352354 /nfs/dbraw/zinc/35/23/54/189352354.db2.gz IYQBBGZSDUYXKT-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO c1ccc(CN2C[C@H]3CCC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000183124967 189347407 /nfs/dbraw/zinc/34/74/07/189347407.db2.gz AKCJIEKWGFMIIR-NXHRZFHOSA-N 1 3 270.420 3.039 20 0 CGADHO Cc1ccc2nccc(NC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000302149575 201367795 /nfs/dbraw/zinc/36/77/95/201367795.db2.gz JSMDSDJTVQYFRS-CQSZACIVSA-N 1 3 269.392 3.297 20 0 CGADHO Cc1ccc2nccc(NC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000302149575 201367798 /nfs/dbraw/zinc/36/77/98/201367798.db2.gz JSMDSDJTVQYFRS-CQSZACIVSA-N 1 3 269.392 3.297 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275869334 193151019 /nfs/dbraw/zinc/15/10/19/193151019.db2.gz NYSJWAXHKCQVMQ-RBUKOAKNSA-N 1 3 284.447 3.348 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459629291 242154004 /nfs/dbraw/zinc/15/40/04/242154004.db2.gz GZCWCZFTWDCWLH-BGTYHANMSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459629291 242154007 /nfs/dbraw/zinc/15/40/07/242154007.db2.gz GZCWCZFTWDCWLH-BGTYHANMSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2sccc2Cl)C1 ZINC000459785622 242231833 /nfs/dbraw/zinc/23/18/33/242231833.db2.gz OYCVZLAVZODADS-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2sccc2Cl)C1 ZINC000459785622 242231840 /nfs/dbraw/zinc/23/18/40/242231840.db2.gz OYCVZLAVZODADS-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477919809 243060929 /nfs/dbraw/zinc/06/09/29/243060929.db2.gz XNBROIRQJWMPSN-OAHLLOKOSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](Cc1ccccc1F)NCC(C)(C)C[NH+]1CCCC1 ZINC000477919809 243060931 /nfs/dbraw/zinc/06/09/31/243060931.db2.gz XNBROIRQJWMPSN-OAHLLOKOSA-N 1 3 292.442 3.468 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000480660662 243160483 /nfs/dbraw/zinc/16/04/83/243160483.db2.gz GLWRQMGFSJHGMP-PBHICJAKSA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480660662 243160485 /nfs/dbraw/zinc/16/04/85/243160485.db2.gz GLWRQMGFSJHGMP-PBHICJAKSA-N 1 3 260.425 3.240 20 0 CGADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(F)c1 ZINC000034958918 368984173 /nfs/dbraw/zinc/98/41/73/368984173.db2.gz NDXBELWPQBDHHO-GVZPALNKSA-N 1 3 262.372 3.102 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000037644156 369093717 /nfs/dbraw/zinc/09/37/17/369093717.db2.gz KQLUNVXWSMHONR-KBPBESRZSA-N 1 3 272.392 3.425 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037649164 369094899 /nfs/dbraw/zinc/09/48/99/369094899.db2.gz TVKMVNGKZIYISZ-RHSMWYFYSA-N 1 3 258.409 3.212 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000037649164 369094903 /nfs/dbraw/zinc/09/49/03/369094903.db2.gz TVKMVNGKZIYISZ-RHSMWYFYSA-N 1 3 258.409 3.212 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000037644369 369095329 /nfs/dbraw/zinc/09/53/29/369095329.db2.gz LEQXGMDLGTZQDD-FAEJEUNOSA-N 1 3 272.436 3.172 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCSc1ccccc1 ZINC000037904184 369124095 /nfs/dbraw/zinc/12/40/95/369124095.db2.gz ZQDVNFBKQYNNDW-YCPHGPKFSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCSc1ccccc1 ZINC000037904184 369124099 /nfs/dbraw/zinc/12/40/99/369124099.db2.gz ZQDVNFBKQYNNDW-YCPHGPKFSA-N 1 3 278.465 3.097 20 0 CGADHO C[NH+](C)CCCCNCc1ccc(Cl)cc1Cl ZINC000045598334 369281441 /nfs/dbraw/zinc/28/14/41/369281441.db2.gz RBEYNSGVPCJCLD-UHFFFAOYSA-N 1 3 275.223 3.425 20 0 CGADHO CCC[N@H+](Cc1cc(C)ccc1C)C1CCNCC1 ZINC000049257377 369394785 /nfs/dbraw/zinc/39/47/85/369394785.db2.gz HMWSOUOTAVONIR-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CCC[N@@H+](Cc1cc(C)ccc1C)C1CCNCC1 ZINC000049257377 369394787 /nfs/dbraw/zinc/39/47/87/369394787.db2.gz HMWSOUOTAVONIR-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO CCCN(Cc1cc(C)ccc1C)C1CC[NH2+]CC1 ZINC000049257377 369394788 /nfs/dbraw/zinc/39/47/88/369394788.db2.gz HMWSOUOTAVONIR-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CCN2C1 ZINC000128111599 370959373 /nfs/dbraw/zinc/95/93/73/370959373.db2.gz CCDYGIJDJUPNKJ-BRWVUGGUSA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@@H]2C[C@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000128111599 370959386 /nfs/dbraw/zinc/95/93/86/370959386.db2.gz CCDYGIJDJUPNKJ-BRWVUGGUSA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@@H]2C[C@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000128111599 370959392 /nfs/dbraw/zinc/95/93/92/370959392.db2.gz CCDYGIJDJUPNKJ-BRWVUGGUSA-N 1 3 292.467 3.085 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000230047703 189804360 /nfs/dbraw/zinc/80/43/60/189804360.db2.gz DIFAGWRYTWNVEK-AEGPPILISA-N 1 3 298.352 3.265 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCCCCC1)[C@@H]1CCCNC1 ZINC000423212909 296144878 /nfs/dbraw/zinc/14/48/78/296144878.db2.gz JEKOZINYYHWDDR-SQWLQELKSA-N 1 3 252.446 3.323 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000063158914 369642244 /nfs/dbraw/zinc/64/22/44/369642244.db2.gz OEOMNCPIEMPABK-UHFFFAOYSA-N 1 3 286.341 3.137 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1csc(Cl)c1 ZINC000276480750 193349279 /nfs/dbraw/zinc/34/92/79/193349279.db2.gz GCHUZXKOAQKZMH-SNVBAGLBSA-N 1 3 270.829 3.314 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1csc(Cl)c1 ZINC000276480750 193349280 /nfs/dbraw/zinc/34/92/80/193349280.db2.gz GCHUZXKOAQKZMH-SNVBAGLBSA-N 1 3 270.829 3.314 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000070188820 369787494 /nfs/dbraw/zinc/78/74/94/369787494.db2.gz GNEUNPUQCZGZIQ-UHFFFAOYSA-N 1 3 272.392 3.254 20 0 CGADHO C[NH2+]CCC1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000070189877 369788973 /nfs/dbraw/zinc/78/89/73/369788973.db2.gz PAGSJBBBQBGKDL-UHFFFAOYSA-N 1 3 290.451 3.004 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000507483239 244838479 /nfs/dbraw/zinc/83/84/79/244838479.db2.gz RFEYMNXUFPPRKF-HZPDHXFCSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000089146246 370037648 /nfs/dbraw/zinc/03/76/48/370037648.db2.gz VBWFOTALJVJSHD-GXTWGEPZSA-N 1 3 286.341 3.313 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043194 370089075 /nfs/dbraw/zinc/08/90/75/370089075.db2.gz IGTQYYLVRYTKTJ-YOEHRIQHSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@@H]21 ZINC000092043194 370089079 /nfs/dbraw/zinc/08/90/79/370089079.db2.gz IGTQYYLVRYTKTJ-YOEHRIQHSA-N 1 3 284.403 3.349 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644421 370151263 /nfs/dbraw/zinc/15/12/63/370151263.db2.gz ZHPXPRPTPKXCAX-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644421 370151266 /nfs/dbraw/zinc/15/12/66/370151266.db2.gz ZHPXPRPTPKXCAX-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO CCCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130623658 371046640 /nfs/dbraw/zinc/04/66/40/371046640.db2.gz UKHWHEZEZJEBLL-JQHSSLGASA-N 1 3 288.435 3.035 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)CN(C)C)CCCO2 ZINC000132141690 371155087 /nfs/dbraw/zinc/15/50/87/371155087.db2.gz KXCUVJQXKQCHIY-INIZCTEOSA-N 1 3 290.451 3.386 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCCC(F)(F)F)c2ccccc21 ZINC000132211506 371159094 /nfs/dbraw/zinc/15/90/94/371159094.db2.gz OVFPDNKQESNJMF-NEPJUHHUSA-N 1 3 258.287 3.063 20 0 CGADHO C[C@@H](CC[NH3+])NCc1cccc(OCc2ccccc2)c1 ZINC000136135817 371463199 /nfs/dbraw/zinc/46/31/99/371463199.db2.gz XMAQKWKLPSHSAO-HNNXBMFYSA-N 1 3 284.403 3.093 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC000421821852 371643243 /nfs/dbraw/zinc/64/32/43/371643243.db2.gz ULROTYRKTMLGKJ-OLZOCXBDSA-N 1 3 298.833 3.342 20 0 CGADHO COc1cc(Cl)ccc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000421839587 371663074 /nfs/dbraw/zinc/66/30/74/371663074.db2.gz XUAKYIGVCSMPDW-GFCCVEGCSA-N 1 3 294.826 3.261 20 0 CGADHO COc1cc(Cl)ccc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000421839587 371663082 /nfs/dbraw/zinc/66/30/82/371663082.db2.gz XUAKYIGVCSMPDW-GFCCVEGCSA-N 1 3 294.826 3.261 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152489540 371697872 /nfs/dbraw/zinc/69/78/72/371697872.db2.gz MRRSMNWOHVTOGO-LXIYXOSZSA-N 1 3 288.410 3.133 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489540 371697877 /nfs/dbraw/zinc/69/78/77/371697877.db2.gz MRRSMNWOHVTOGO-LXIYXOSZSA-N 1 3 288.410 3.133 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C/c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000422562656 371752097 /nfs/dbraw/zinc/75/20/97/371752097.db2.gz QPCXBTPGFWRGPP-YTFPOELNSA-N 1 3 276.399 3.144 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000422708753 371761982 /nfs/dbraw/zinc/76/19/82/371761982.db2.gz YDGNQBYECQNMDE-IAGOWNOFSA-N 1 3 260.425 3.116 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCCOC1CCCCC1 ZINC000422712444 371763604 /nfs/dbraw/zinc/76/36/04/371763604.db2.gz OFLSYEYRYOVUKN-HUUCEWRRSA-N 1 3 270.461 3.221 20 0 CGADHO CCC(CC)[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422717079 371764805 /nfs/dbraw/zinc/76/48/05/371764805.db2.gz OEFANDGVZQYCEI-CXAGYDPISA-N 1 3 260.425 3.361 20 0 CGADHO CCC(CC)[C@@H]([NH2+][C@H](C)C1CNC1)c1ccccc1 ZINC000422717079 371764816 /nfs/dbraw/zinc/76/48/16/371764816.db2.gz OEFANDGVZQYCEI-CXAGYDPISA-N 1 3 260.425 3.361 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422732765 371772567 /nfs/dbraw/zinc/77/25/67/371772567.db2.gz ALGGBLUPKZAQOA-XFKAJCMBSA-N 1 3 290.426 3.440 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422736190 371775709 /nfs/dbraw/zinc/77/57/09/371775709.db2.gz FTKFOLYCEJRQNJ-GJZGRUSLSA-N 1 3 297.446 3.439 20 0 CGADHO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)[C@@H]1CCCCN1 ZINC000422743530 371779574 /nfs/dbraw/zinc/77/95/74/371779574.db2.gz RQPDTAVRDFDHIY-OLZOCXBDSA-N 1 3 295.496 3.103 20 0 CGADHO c1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000422748998 371782112 /nfs/dbraw/zinc/78/21/12/371782112.db2.gz WZEWWBKPEBGOAD-ROUUACIJSA-N 1 3 266.388 3.270 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325670 214009260 /nfs/dbraw/zinc/00/92/60/214009260.db2.gz CBVRCNDHVGEDID-AEFFLSMTSA-N 1 3 289.467 3.428 20 0 CGADHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000422755955 371787552 /nfs/dbraw/zinc/78/75/52/371787552.db2.gz IHQAJMDQMCYKOO-FRRDWIJNSA-N 1 3 252.427 3.095 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1cccc(Cl)c1 ZINC000422761165 371789180 /nfs/dbraw/zinc/78/91/80/371789180.db2.gz LNZUEAZSLHWXJP-LSDHHAIUSA-N 1 3 266.816 3.132 20 0 CGADHO CCc1ccc([C@@H](N[C@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422774910 371799555 /nfs/dbraw/zinc/79/95/55/371799555.db2.gz YXHGQDRRWADTCJ-DYVFJYSZSA-N 1 3 260.425 3.144 20 0 CGADHO CCc1ccc([C@@H]([NH2+][C@H](C)C2CNC2)C(C)C)cc1 ZINC000422774910 371799557 /nfs/dbraw/zinc/79/95/57/371799557.db2.gz YXHGQDRRWADTCJ-DYVFJYSZSA-N 1 3 260.425 3.144 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422778680 371801036 /nfs/dbraw/zinc/80/10/36/371801036.db2.gz HWXUZBSNVVKSKQ-MCIONIFRSA-N 1 3 264.413 3.252 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Cc1cccs1 ZINC000422785101 371805333 /nfs/dbraw/zinc/80/53/33/371805333.db2.gz QTTYHCXNZNBOLU-GUTXKFCHSA-N 1 3 266.454 3.034 20 0 CGADHO COc1ccc2cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc2c1 ZINC000422794436 371814112 /nfs/dbraw/zinc/81/41/12/371814112.db2.gz GPGIWIDQOGCKCV-OLZOCXBDSA-N 1 3 272.392 3.064 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000422802887 371817372 /nfs/dbraw/zinc/81/73/72/371817372.db2.gz HUSUHHOQHZFWPZ-GFCCVEGCSA-N 1 3 261.413 3.080 20 0 CGADHO CC(C)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000422803341 371818365 /nfs/dbraw/zinc/81/83/65/371818365.db2.gz CSBLEALFMGHWQT-XIRDDKMYSA-N 1 3 260.425 3.014 20 0 CGADHO CC(C)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422812818 371824580 /nfs/dbraw/zinc/82/45/80/371824580.db2.gz RATUGTSPZKTQQW-HYVNUMGLSA-N 1 3 260.425 3.014 20 0 CGADHO CCCCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422863612 371845355 /nfs/dbraw/zinc/84/53/55/371845355.db2.gz PCVBBNNWDNIBLY-KGLIPLIRSA-N 1 3 294.439 3.090 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422864796 371845488 /nfs/dbraw/zinc/84/54/88/371845488.db2.gz WCJHIOLGERZVCL-WBVHZDCISA-N 1 3 274.452 3.250 20 0 CGADHO CCN1CCN(CCCC[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000154472281 371848439 /nfs/dbraw/zinc/84/84/39/371848439.db2.gz YDAWMMYQGVCUBZ-SFHVURJKSA-N 1 3 295.515 3.129 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422946610 371885138 /nfs/dbraw/zinc/88/51/38/371885138.db2.gz PGNCLDMQYBEFCI-OALUTQOASA-N 1 3 282.431 3.489 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000422945687 371885276 /nfs/dbraw/zinc/88/52/76/371885276.db2.gz NRKOBJZKCCZXPW-HUUCEWRRSA-N 1 3 254.462 3.425 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882840 371851551 /nfs/dbraw/zinc/85/15/51/371851551.db2.gz BDBYSSBHOVXUAI-RHSMWYFYSA-N 1 3 285.435 3.208 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(OCc2ccccc2)c1 ZINC000422894108 371857476 /nfs/dbraw/zinc/85/74/76/371857476.db2.gz SAVUABFMSRIWOJ-CVEARBPZSA-N 1 3 298.430 3.481 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422917098 371868029 /nfs/dbraw/zinc/86/80/29/371868029.db2.gz FNGOMSKQUGJUIZ-HOCLYGCPSA-N 1 3 272.392 3.082 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1cc2ccccc2o1 ZINC000422917098 371868040 /nfs/dbraw/zinc/86/80/40/371868040.db2.gz FNGOMSKQUGJUIZ-HOCLYGCPSA-N 1 3 272.392 3.082 20 0 CGADHO CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1cccc(Cl)c1 ZINC000422921091 371869263 /nfs/dbraw/zinc/86/92/63/371869263.db2.gz OUKGXONPMVKYES-HRCADAONSA-N 1 3 296.842 3.277 20 0 CGADHO C[C@@H](NCC(C)(C)c1c(F)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000422922227 371871677 /nfs/dbraw/zinc/87/16/77/371871677.db2.gz SGMMEYMDVJGZKI-NEPJUHHUSA-N 1 3 298.833 3.344 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422948498 371886517 /nfs/dbraw/zinc/88/65/17/371886517.db2.gz SAHDAXXBJMGFBH-UONOGXRCSA-N 1 3 284.350 3.038 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422931656 371878620 /nfs/dbraw/zinc/87/86/20/371878620.db2.gz CFXILVHGBIYASE-CJNGLKHVSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1csc2ccccc12 ZINC000422931656 371878625 /nfs/dbraw/zinc/87/86/25/371878625.db2.gz CFXILVHGBIYASE-CJNGLKHVSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@@H](NCCc1cccc(Cl)c1Cl)[C@@H]1CC[NH2+]C1 ZINC000422936694 371880317 /nfs/dbraw/zinc/88/03/17/371880317.db2.gz FQWUDDGKPCTLFQ-ZYHUDNBSSA-N 1 3 287.234 3.124 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937332 371881656 /nfs/dbraw/zinc/88/16/56/371881656.db2.gz JMJAWVCSWJGHGV-RTBURBONSA-N 1 3 296.414 3.235 20 0 CGADHO Cc1nc(-c2ccc(CN[C@H](C)CCCC[NH3+])o2)cs1 ZINC000422938594 371881677 /nfs/dbraw/zinc/88/16/77/371881677.db2.gz HHYYZZZONBZGRQ-LLVKDONJSA-N 1 3 293.436 3.319 20 0 CGADHO CCc1ccc(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422842729 371836093 /nfs/dbraw/zinc/83/60/93/371836093.db2.gz ZEMHRXRABRZRMN-JWTNVVGKSA-N 1 3 286.463 3.399 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@@H]3CCCC[C@H]3CN)cn(C)c2c1 ZINC000423057915 371939802 /nfs/dbraw/zinc/93/98/02/371939802.db2.gz ILSDWIFRARNXLB-MAUKXSAKSA-N 1 3 299.462 3.136 20 0 CGADHO CC(C)(C)c1cccc(OCCN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422975203 371897861 /nfs/dbraw/zinc/89/78/61/371897861.db2.gz BILJAKBIHHXTOX-WMLDXEAASA-N 1 3 290.451 3.080 20 0 CGADHO Cc1cc([C@H](N[C@H]2CCC[NH2+]CC2)C2CC2)ccc1F ZINC000423017162 371916673 /nfs/dbraw/zinc/91/66/73/371916673.db2.gz VQGOWAJGEJCVCT-DOTOQJQBSA-N 1 3 276.399 3.317 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[C@@H]1CCCCO1 ZINC000423039541 371927915 /nfs/dbraw/zinc/92/79/15/371927915.db2.gz QUCDWXREWFJJHO-IKGGRYGDSA-N 1 3 282.472 3.236 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[C@@H]1CCCCO1 ZINC000423039543 371928230 /nfs/dbraw/zinc/92/82/30/371928230.db2.gz QUCDWXREWFJJHO-ZACQAIPSSA-N 1 3 282.472 3.236 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000423037641 371928320 /nfs/dbraw/zinc/92/83/20/371928320.db2.gz NFISQWZXTDCIAP-IPYPFGDCSA-N 1 3 295.496 3.455 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423041261 371928443 /nfs/dbraw/zinc/92/84/43/371928443.db2.gz WTKXAMMBEDQHLE-FAAHXZRKSA-N 1 3 293.480 3.065 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092745 371957921 /nfs/dbraw/zinc/95/79/21/371957921.db2.gz DFZUTJULKPLZSB-CSFVBSKPSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092745 371957939 /nfs/dbraw/zinc/95/79/39/371957939.db2.gz DFZUTJULKPLZSB-CSFVBSKPSA-N 1 3 276.399 3.049 20 0 CGADHO CSc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423097279 371960857 /nfs/dbraw/zinc/96/08/57/371960857.db2.gz QPMRYWWELROJSB-JKSUJKDBSA-N 1 3 278.465 3.201 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423099280 371963353 /nfs/dbraw/zinc/96/33/53/371963353.db2.gz LWCAYTKBVVKXTN-SAGYGOJTSA-N 1 3 272.436 3.356 20 0 CGADHO CCOc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000423100351 371963755 /nfs/dbraw/zinc/96/37/55/371963755.db2.gz GTGHTZVTEFHANN-UKRRQHHQSA-N 1 3 296.842 3.346 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423101280 371966190 /nfs/dbraw/zinc/96/61/90/371966190.db2.gz VTXKQHATMYKMBY-XDQVBPFNSA-N 1 3 264.388 3.177 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CO)CCC(C)(C)C ZINC000423105250 371967982 /nfs/dbraw/zinc/96/79/82/371967982.db2.gz YTLUQFAWKWLPDB-PMPSAXMXSA-N 1 3 284.488 3.074 20 0 CGADHO CSc1ccc([C@@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423108115 371971206 /nfs/dbraw/zinc/97/12/06/371971206.db2.gz STALQMWPZPFJRV-IJLUTSLNSA-N 1 3 252.427 3.185 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])ccc2[nH]1 ZINC000423110151 371972818 /nfs/dbraw/zinc/97/28/18/371972818.db2.gz ORGRGPIBFXDGOU-GOEBONIOSA-N 1 3 271.408 3.083 20 0 CGADHO C[C@H](NCC1CC(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423117044 371974904 /nfs/dbraw/zinc/97/49/04/371974904.db2.gz SPXVGUYWBCVDRF-OBHHBEAMSA-N 1 3 272.436 3.300 20 0 CGADHO Cc1ccncc1CCC[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000290376346 371976014 /nfs/dbraw/zinc/97/60/14/371976014.db2.gz NRWJOTZIQRGGRI-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccncc1CCCNCC[C@@H](C)[NH+]1CCCCC1 ZINC000290376346 371976017 /nfs/dbraw/zinc/97/60/17/371976017.db2.gz NRWJOTZIQRGGRI-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423172038 372002483 /nfs/dbraw/zinc/00/24/83/372002483.db2.gz QYULAERCJBKJEM-ZHCJQAHYSA-N 1 3 264.457 3.321 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423172038 372002492 /nfs/dbraw/zinc/00/24/92/372002492.db2.gz QYULAERCJBKJEM-ZHCJQAHYSA-N 1 3 264.457 3.321 20 0 CGADHO COCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423136756 371984702 /nfs/dbraw/zinc/98/47/02/371984702.db2.gz HLNUJYUYTUQEBW-IRXDYDNUSA-N 1 3 288.435 3.318 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000423133867 371985307 /nfs/dbraw/zinc/98/53/07/371985307.db2.gz LCOMCAWNCZNRJX-IUODEOHRSA-N 1 3 282.378 3.276 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCCc2sc(Cl)cc21 ZINC000423137018 371986130 /nfs/dbraw/zinc/98/61/30/371986130.db2.gz VUKPIXQDQWHAQY-WCQGTBRESA-N 1 3 284.856 3.496 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000156576121 371986659 /nfs/dbraw/zinc/98/66/59/371986659.db2.gz SORGABBTIRHDGD-DDUZABMNSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000156576121 371986665 /nfs/dbraw/zinc/98/66/65/371986665.db2.gz SORGABBTIRHDGD-DDUZABMNSA-N 1 3 288.435 3.145 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423142603 371989602 /nfs/dbraw/zinc/98/96/02/371989602.db2.gz ARMGDNHSQDCQLK-GVARAGBVSA-N 1 3 264.800 3.055 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423146709 371990282 /nfs/dbraw/zinc/99/02/82/371990282.db2.gz QANWTXBVSNTCMM-RYRKJORJSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000423151505 371993953 /nfs/dbraw/zinc/99/39/53/371993953.db2.gz CLIJTONDTHNUKN-DIECFANBSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423157236 371995573 /nfs/dbraw/zinc/99/55/73/371995573.db2.gz VBCHMRDHMKOHPA-PILAGYSTSA-N 1 3 288.435 3.172 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC/C=C\c1ccc(Br)cc1 ZINC000423160318 371996315 /nfs/dbraw/zinc/99/63/15/371996315.db2.gz QJDMRUVSHUEVRL-RRNNCXACSA-N 1 3 297.240 3.178 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423166405 371997754 /nfs/dbraw/zinc/99/77/54/371997754.db2.gz CNECVHYJJMDFQW-DCJFZGGZSA-N 1 3 270.779 3.050 20 0 CGADHO COc1c2ccccc2oc1CNC1CCC(C[NH3+])CC1 ZINC000423074054 371947873 /nfs/dbraw/zinc/94/78/73/371947873.db2.gz SZPSHMQFLQKVGW-UHFFFAOYSA-N 1 3 288.391 3.049 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CC12CCCC2 ZINC000423075065 371949415 /nfs/dbraw/zinc/94/94/15/371949415.db2.gz NKLCJBDRGJEJFR-KVSKMBFKSA-N 1 3 298.430 3.165 20 0 CGADHO Cc1cccc(OCCCN[C@@H]2CCCCC[C@H]2[NH3+])c1C ZINC000423080110 371951625 /nfs/dbraw/zinc/95/16/25/371951625.db2.gz BLHNLVVXBGTJLT-IAGOWNOFSA-N 1 3 290.451 3.322 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@@H]2CCCC[C@H]2CN)c1C ZINC000423090420 371956707 /nfs/dbraw/zinc/95/67/07/371956707.db2.gz VNFQDPXMUYTGJG-DLBZAZTESA-N 1 3 290.451 3.179 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423214701 372034253 /nfs/dbraw/zinc/03/42/53/372034253.db2.gz PHJNZTFKOJTWQR-CHWSQXEVSA-N 1 3 278.465 3.277 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000423219416 372038636 /nfs/dbraw/zinc/03/86/36/372038636.db2.gz WOUBHFNOCMEWIO-PBHICJAKSA-N 1 3 258.409 3.043 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCCNC1 ZINC000423219416 372038640 /nfs/dbraw/zinc/03/86/40/372038640.db2.gz WOUBHFNOCMEWIO-PBHICJAKSA-N 1 3 258.409 3.043 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2N[C@H]2CCC[NH2+]C2)cc1 ZINC000423300775 372049841 /nfs/dbraw/zinc/04/98/41/372049841.db2.gz FNNIAGFMGJRZDI-BBWFWOEESA-N 1 3 258.409 3.054 20 0 CGADHO Cc1cc([C@H](C)NCCC[NH2+]Cc2cccnc2)cs1 ZINC000423184039 372011448 /nfs/dbraw/zinc/01/14/48/372011448.db2.gz HMBBFBLVIHNHCW-AWEZNQCLSA-N 1 3 289.448 3.282 20 0 CGADHO FC(F)(F)c1cccc([C@H]([NH2+][C@H]2CCCNC2)C2CC2)c1 ZINC000423185421 372013790 /nfs/dbraw/zinc/01/37/90/372013790.db2.gz JHWWXVISHRDFKA-LSDHHAIUSA-N 1 3 298.352 3.498 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423442397 372064180 /nfs/dbraw/zinc/06/41/80/372064180.db2.gz BRXHODTVEMNZFV-DEYYWGMASA-N 1 3 286.394 3.435 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423478906 372068469 /nfs/dbraw/zinc/06/84/69/372068469.db2.gz UWDNXMFFAVSMKP-QMTHXVAHSA-N 1 3 252.789 3.044 20 0 CGADHO [NH3+]C[C@@H](N[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531468 372071981 /nfs/dbraw/zinc/07/19/81/372071981.db2.gz QKSSURRZOQKKCR-IAGOWNOFSA-N 1 3 258.409 3.171 20 0 CGADHO COC1(C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)CCC1 ZINC000429435620 372366322 /nfs/dbraw/zinc/36/63/22/372366322.db2.gz UNPZMNRMJRSUHX-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]1CCN(Cc2csc3ccccc23)C[C@@H]1C[NH3+] ZINC000163490866 372472963 /nfs/dbraw/zinc/47/29/63/372472963.db2.gz QJCOAPUXAGGHGR-STQMWFEESA-N 1 3 274.433 3.318 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccccc1Cl ZINC000166036802 372562038 /nfs/dbraw/zinc/56/20/38/372562038.db2.gz PDMHTBSWECKKIA-ZIAGYGMSSA-N 1 3 298.858 3.347 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000344489147 217208091 /nfs/dbraw/zinc/20/80/91/217208091.db2.gz XGAFGEHTOIIPTB-BMFZPTHFSA-N 1 3 250.430 3.172 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000435395818 372758158 /nfs/dbraw/zinc/75/81/58/372758158.db2.gz SKMXYECLAFXMRI-UHFFFAOYSA-N 1 3 284.403 3.378 20 0 CGADHO C[NH2+]CCCN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000435885357 372823732 /nfs/dbraw/zinc/82/37/32/372823732.db2.gz IZKMGOHNTCNINN-KRWDZBQOSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CNC2CCC([NH+](C)C)CC2)o1 ZINC000353456258 220093761 /nfs/dbraw/zinc/09/37/61/220093761.db2.gz URSFBFWJQYSWCN-WLIAPVHPSA-N 1 3 276.424 3.365 20 0 CGADHO Cc1ccsc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353500192 220121103 /nfs/dbraw/zinc/12/11/03/220121103.db2.gz WTVQLNBLNHFJGW-MJBXVCDLSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353500192 220121106 /nfs/dbraw/zinc/12/11/06/220121106.db2.gz WTVQLNBLNHFJGW-MJBXVCDLSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353500192 220121107 /nfs/dbraw/zinc/12/11/07/220121107.db2.gz WTVQLNBLNHFJGW-MJBXVCDLSA-N 1 3 264.438 3.019 20 0 CGADHO C[C@H](C[NH2+]C1CCC(C(F)F)CC1)CN1CCCC1 ZINC000442710678 373068430 /nfs/dbraw/zinc/06/84/30/373068430.db2.gz QLOXJRQODYLWMU-IYXRBSQSSA-N 1 3 274.399 3.132 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918301 373215495 /nfs/dbraw/zinc/21/54/95/373215495.db2.gz OBKFDVINGAWUTB-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918301 373215500 /nfs/dbraw/zinc/21/55/00/373215500.db2.gz OBKFDVINGAWUTB-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@@H]2CCCc3ccccc32)C1 ZINC000173918301 373215504 /nfs/dbraw/zinc/21/55/04/373215504.db2.gz OBKFDVINGAWUTB-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@@H]2CCCc3ccccc32)C1 ZINC000173918301 373215510 /nfs/dbraw/zinc/21/55/10/373215510.db2.gz OBKFDVINGAWUTB-CRAIPNDOSA-N 1 3 272.436 3.338 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000444202327 373176180 /nfs/dbraw/zinc/17/61/80/373176180.db2.gz DCORUKOJPQCQPH-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000444202327 373176188 /nfs/dbraw/zinc/17/61/88/373176188.db2.gz DCORUKOJPQCQPH-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO C[C@@H](NC1CCC([NH+](C)C)CC1)c1cccc(F)c1F ZINC000353614751 220194112 /nfs/dbraw/zinc/19/41/12/220194112.db2.gz UIODBZAIGWXCTA-PNESKVBLSA-N 1 3 282.378 3.488 20 0 CGADHO Cc1cc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000447548689 373450713 /nfs/dbraw/zinc/45/07/13/373450713.db2.gz BSHGIBWYQGXKAW-CYBMUJFWSA-N 1 3 276.424 3.421 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)C2CCCC2)C1 ZINC000449095364 373661748 /nfs/dbraw/zinc/66/17/48/373661748.db2.gz XYEYENKWIPDWTO-ZBFHGGJFSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1CC1 ZINC000449441884 373717681 /nfs/dbraw/zinc/71/76/81/373717681.db2.gz UTKQIRJHWSHZIR-DQEVTTJGSA-N 1 3 284.447 3.285 20 0 CGADHO CC1(C)C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000177944621 373727588 /nfs/dbraw/zinc/72/75/88/373727588.db2.gz SVLPJDIABDGMNU-KSSFIOAISA-N 1 3 284.447 3.483 20 0 CGADHO CC1(C)C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000177944621 373727592 /nfs/dbraw/zinc/72/75/92/373727592.db2.gz SVLPJDIABDGMNU-KSSFIOAISA-N 1 3 284.447 3.483 20 0 CGADHO CC(C)[C@H](N)CC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000302380994 373859845 /nfs/dbraw/zinc/85/98/45/373859845.db2.gz IHIDUNZUMDJHSF-QWHCGFSZSA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@H](N)CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000302380994 373859852 /nfs/dbraw/zinc/85/98/52/373859852.db2.gz IHIDUNZUMDJHSF-QWHCGFSZSA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCCC(F)(F)C1 ZINC000302380994 373859860 /nfs/dbraw/zinc/85/98/60/373859860.db2.gz IHIDUNZUMDJHSF-QWHCGFSZSA-N 1 3 262.388 3.117 20 0 CGADHO COc1cc([C@H](C)[NH2+]CCCN2CCCCC2)ccc1F ZINC000179394508 373867255 /nfs/dbraw/zinc/86/72/55/373867255.db2.gz KXCZITNGRBYMAS-AWEZNQCLSA-N 1 3 294.414 3.361 20 0 CGADHO COC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000180201890 373976246 /nfs/dbraw/zinc/97/62/46/373976246.db2.gz DGMSAVPRFJBPBE-RDJZCZTQSA-N 1 3 294.483 3.188 20 0 CGADHO COC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000180201890 373976254 /nfs/dbraw/zinc/97/62/54/373976254.db2.gz DGMSAVPRFJBPBE-RDJZCZTQSA-N 1 3 294.483 3.188 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448771 374138083 /nfs/dbraw/zinc/13/80/83/374138083.db2.gz DKZXDDGUTJWBQV-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448771 374138089 /nfs/dbraw/zinc/13/80/89/374138089.db2.gz DKZXDDGUTJWBQV-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448771 374138094 /nfs/dbraw/zinc/13/80/94/374138094.db2.gz DKZXDDGUTJWBQV-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)CN(C)C ZINC000312466178 374279886 /nfs/dbraw/zinc/27/98/86/374279886.db2.gz FYUNUYZWMUNFQD-JTQLQIEISA-N 1 3 292.320 3.132 20 0 CGADHO Clc1ccc(Cl)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311590810 374249156 /nfs/dbraw/zinc/24/91/56/374249156.db2.gz AJZXCNLVIJKWTH-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700411 374336740 /nfs/dbraw/zinc/33/67/40/374336740.db2.gz BWPSWVCYQAQEKX-HLLBOEOZSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000316700411 374336744 /nfs/dbraw/zinc/33/67/44/374336744.db2.gz BWPSWVCYQAQEKX-HLLBOEOZSA-N 1 3 298.434 3.006 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185194483 374609316 /nfs/dbraw/zinc/60/93/16/374609316.db2.gz ZQSJLQUNRWFAAH-DLBZAZTESA-N 1 3 296.499 3.289 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000185468329 374667223 /nfs/dbraw/zinc/66/72/23/374667223.db2.gz UFMQBNWWRMFPHU-CQSZACIVSA-N 1 3 294.414 3.133 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000185468329 374667232 /nfs/dbraw/zinc/66/72/32/374667232.db2.gz UFMQBNWWRMFPHU-CQSZACIVSA-N 1 3 294.414 3.133 20 0 CGADHO C[C@H](NCCOC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680763 374711523 /nfs/dbraw/zinc/71/15/23/374711523.db2.gz VCXPCWAEVQOVJH-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](NCCOC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680763 374711532 /nfs/dbraw/zinc/71/15/32/374711532.db2.gz VCXPCWAEVQOVJH-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]([NH2+]CCOC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185680763 374711538 /nfs/dbraw/zinc/71/15/38/374711538.db2.gz VCXPCWAEVQOVJH-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(CCc1cccs1)CC[C@H]1CCCC[N@@H+]1C ZINC000472763213 375033890 /nfs/dbraw/zinc/03/38/90/375033890.db2.gz GDMUWJFFWDOKPK-OAHLLOKOSA-N 1 3 280.481 3.487 20 0 CGADHO CCN(CCc1cccs1)CC[C@H]1CCCC[N@H+]1C ZINC000472763213 375033897 /nfs/dbraw/zinc/03/38/97/375033897.db2.gz GDMUWJFFWDOKPK-OAHLLOKOSA-N 1 3 280.481 3.487 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C[NH3+])C1 ZINC000224197623 296226337 /nfs/dbraw/zinc/22/63/37/296226337.db2.gz NRRPSGBCPCNJRP-QWRGUYRKSA-N 1 3 272.314 3.047 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189080112 375322758 /nfs/dbraw/zinc/32/27/58/375322758.db2.gz PCTGEVFIESGASP-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000189145494 375331950 /nfs/dbraw/zinc/33/19/50/375331950.db2.gz VWKAWWNJCJSMAN-RRFJBIMHSA-N 1 3 250.430 3.172 20 0 CGADHO FC1(F)CCCC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000495015297 375495785 /nfs/dbraw/zinc/49/57/85/375495785.db2.gz FYFAPZJBPQKHNS-SOUVJXGZSA-N 1 3 286.410 3.418 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000191465260 375631918 /nfs/dbraw/zinc/63/19/18/375631918.db2.gz OFCUXHUQDKVJBR-KRWDZBQOSA-N 1 3 260.425 3.208 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000191465260 375631926 /nfs/dbraw/zinc/63/19/26/375631926.db2.gz OFCUXHUQDKVJBR-KRWDZBQOSA-N 1 3 260.425 3.208 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000507483243 375707001 /nfs/dbraw/zinc/70/70/01/375707001.db2.gz RFEYMNXUFPPRKF-JKSUJKDBSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(CN2CCC3(CC[NH2+]C3)CC2)c2ccccc2n1 ZINC000336128593 375708440 /nfs/dbraw/zinc/70/84/40/375708440.db2.gz FGPWILOVUSKJEG-UHFFFAOYSA-N 1 3 295.430 3.119 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1 ZINC000507878915 375727763 /nfs/dbraw/zinc/72/77/63/375727763.db2.gz PQERGQYEQMJPDU-QXSJWSMHSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000507878914 375727821 /nfs/dbraw/zinc/72/78/21/375727821.db2.gz PQERGQYEQMJPDU-QKPAOTATSA-N 1 3 252.446 3.275 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H](c2ccccc2)C2CC2)cc1 ZINC000517937256 375826796 /nfs/dbraw/zinc/82/67/96/375826796.db2.gz RGZNVEXLARPVRD-GOSISDBHSA-N 1 3 266.388 3.386 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccccc2)CCCCC1 ZINC000517730878 375827446 /nfs/dbraw/zinc/82/74/46/375827446.db2.gz FSKHKKIAZWLBGI-DLBZAZTESA-N 1 3 272.436 3.358 20 0 CGADHO CSC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCC1 ZINC000193800426 375924977 /nfs/dbraw/zinc/92/49/77/375924977.db2.gz AUZZJKMIUODIRS-UHFFFAOYSA-N 1 3 270.486 3.125 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccnc3ccccc23)[C@H](C)C1 ZINC000537615475 376181581 /nfs/dbraw/zinc/18/15/81/376181581.db2.gz VOUDYIBEAUZBPL-BEFAXECRSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccnc3ccccc23)[C@H](C)C1 ZINC000537615475 376181588 /nfs/dbraw/zinc/18/15/88/376181588.db2.gz VOUDYIBEAUZBPL-BEFAXECRSA-N 1 3 297.446 3.397 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cc2c(s1)CCCC2 ZINC000537966096 376213334 /nfs/dbraw/zinc/21/33/34/376213334.db2.gz UJXILNGSNNSPFD-XJKCOSOUSA-N 1 3 292.492 3.445 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cc2c(s1)CCCC2 ZINC000537966096 376213338 /nfs/dbraw/zinc/21/33/38/376213338.db2.gz UJXILNGSNNSPFD-XJKCOSOUSA-N 1 3 292.492 3.445 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCSc3ccccc32)C1 ZINC000222955738 376244462 /nfs/dbraw/zinc/24/44/62/376244462.db2.gz XMVNLNVWOJXCDK-YRGRVCCFSA-N 1 3 262.422 3.083 20 0 CGADHO C[C@@H](c1ccc(F)c(F)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325970 376351367 /nfs/dbraw/zinc/35/13/67/376351367.db2.gz JXYJWVRPGMRXJU-RYUDHWBXSA-N 1 3 268.351 3.087 20 0 CGADHO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCN(C)C(C)C)C1 ZINC000226339317 376353561 /nfs/dbraw/zinc/35/35/61/376353561.db2.gz HFHKMMPPWWQGIH-GDBMZVCRSA-N 1 3 252.446 3.299 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000540180948 376362692 /nfs/dbraw/zinc/36/26/92/376362692.db2.gz KBSBIDGMXFRIBX-HOCLYGCPSA-N 1 3 290.451 3.324 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000226918654 376375572 /nfs/dbraw/zinc/37/55/72/376375572.db2.gz LYSAKBWPPCRDND-WBVHZDCISA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccccc2)C(C)C)C1 ZINC000226918654 376375576 /nfs/dbraw/zinc/37/55/76/376375576.db2.gz LYSAKBWPPCRDND-WBVHZDCISA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccccc2)C(C)C)C1 ZINC000226918654 376375578 /nfs/dbraw/zinc/37/55/78/376375578.db2.gz LYSAKBWPPCRDND-WBVHZDCISA-N 1 3 260.425 3.315 20 0 CGADHO C[C@H](CCc1ccco1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227535528 376396961 /nfs/dbraw/zinc/39/69/61/376396961.db2.gz FKSHXAHPWFMWEE-CSMYWGQOSA-N 1 3 270.376 3.335 20 0 CGADHO CC(C)[C@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000230986882 376549973 /nfs/dbraw/zinc/54/99/73/376549973.db2.gz VLXLJUIROCTAAZ-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338790891 376537363 /nfs/dbraw/zinc/53/73/63/376537363.db2.gz JIHRFMLEDBNFBV-JCGIZDLHSA-N 1 3 270.420 3.030 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000543091494 376605418 /nfs/dbraw/zinc/60/54/18/376605418.db2.gz LXOZJDRPCQBSBB-NVXWUHKLSA-N 1 3 292.492 3.487 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000543091494 376605424 /nfs/dbraw/zinc/60/54/24/376605424.db2.gz LXOZJDRPCQBSBB-NVXWUHKLSA-N 1 3 292.492 3.487 20 0 CGADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1Cl ZINC000234253092 376612240 /nfs/dbraw/zinc/61/22/40/376612240.db2.gz JUGPEZVGFMAXMH-UHFFFAOYSA-N 1 3 268.832 3.326 20 0 CGADHO Cc1cccc(C)c1[C@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000545518358 376827781 /nfs/dbraw/zinc/82/77/81/376827781.db2.gz IVJSQIBKARHDQC-JKSUJKDBSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@H](C)NCC[C@H]1CCC[N@H+]1C ZINC000545518358 376827785 /nfs/dbraw/zinc/82/77/85/376827785.db2.gz IVJSQIBKARHDQC-JKSUJKDBSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000545518358 376827794 /nfs/dbraw/zinc/82/77/94/376827794.db2.gz IVJSQIBKARHDQC-JKSUJKDBSA-N 1 3 260.425 3.438 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245425019 376812746 /nfs/dbraw/zinc/81/27/46/376812746.db2.gz KJZFYMPRYZPMMZ-DOTOQJQBSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245425019 376812755 /nfs/dbraw/zinc/81/27/55/376812755.db2.gz KJZFYMPRYZPMMZ-DOTOQJQBSA-N 1 3 260.425 3.157 20 0 CGADHO CC(C)C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)C(C)C ZINC000556600064 376864279 /nfs/dbraw/zinc/86/42/79/376864279.db2.gz DNHDTMAOALGGQL-MRXNPFEDSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C(C[N@H+]1CC[C@H](CN2CCCC2)C1)C(C)C ZINC000556600064 376864287 /nfs/dbraw/zinc/86/42/87/376864287.db2.gz DNHDTMAOALGGQL-MRXNPFEDSA-N 1 3 266.473 3.332 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857646 376921379 /nfs/dbraw/zinc/92/13/79/376921379.db2.gz NVSGPPWYHJEQSM-JKSUJKDBSA-N 1 3 290.451 3.072 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857646 376921384 /nfs/dbraw/zinc/92/13/84/376921384.db2.gz NVSGPPWYHJEQSM-JKSUJKDBSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857646 376921390 /nfs/dbraw/zinc/92/13/90/376921390.db2.gz NVSGPPWYHJEQSM-JKSUJKDBSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000245857646 376921396 /nfs/dbraw/zinc/92/13/96/376921396.db2.gz NVSGPPWYHJEQSM-JKSUJKDBSA-N 1 3 290.451 3.072 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117052 376969500 /nfs/dbraw/zinc/96/95/00/376969500.db2.gz KCEISXRDGHJTGC-IAGOWNOFSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117052 376969504 /nfs/dbraw/zinc/96/95/04/376969504.db2.gz KCEISXRDGHJTGC-IAGOWNOFSA-N 1 3 264.457 3.373 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000340293382 376990344 /nfs/dbraw/zinc/99/03/44/376990344.db2.gz WTARXLWDBFXITI-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000340293382 376990351 /nfs/dbraw/zinc/99/03/51/376990351.db2.gz WTARXLWDBFXITI-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340293382 376990357 /nfs/dbraw/zinc/99/03/57/376990357.db2.gz WTARXLWDBFXITI-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340293382 376990361 /nfs/dbraw/zinc/99/03/61/376990361.db2.gz WTARXLWDBFXITI-UONOGXRCSA-N 1 3 274.399 3.086 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000246883274 377111695 /nfs/dbraw/zinc/11/16/95/377111695.db2.gz FCAIMNZAQGAHFD-WFASDCNBSA-N 1 3 294.439 3.294 20 0 CGADHO c1ccc(CCN2CC[C@@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000246926475 377121963 /nfs/dbraw/zinc/12/19/63/377121963.db2.gz YRKVXXXGLHJBAD-UXHICEINSA-N 1 3 298.474 3.497 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2coc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000340453986 377068129 /nfs/dbraw/zinc/06/81/29/377068129.db2.gz SSSBPILBOPBSFK-ULQDDVLXSA-N 1 3 284.403 3.395 20 0 CGADHO C[N@H+]1CC[C@H](NCc2coc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000340453986 377068143 /nfs/dbraw/zinc/06/81/43/377068143.db2.gz SSSBPILBOPBSFK-ULQDDVLXSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000340453986 377068155 /nfs/dbraw/zinc/06/81/55/377068155.db2.gz SSSBPILBOPBSFK-ULQDDVLXSA-N 1 3 284.403 3.395 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246820528 377097553 /nfs/dbraw/zinc/09/75/53/377097553.db2.gz AOMKSEAUDMVMCK-YYIAUSFCSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246820528 377097565 /nfs/dbraw/zinc/09/75/65/377097565.db2.gz AOMKSEAUDMVMCK-YYIAUSFCSA-N 1 3 290.451 3.081 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000247375629 377198777 /nfs/dbraw/zinc/19/87/77/377198777.db2.gz DWVPNXLAINNPFB-JKSUJKDBSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000247375629 377198786 /nfs/dbraw/zinc/19/87/86/377198786.db2.gz DWVPNXLAINNPFB-JKSUJKDBSA-N 1 3 290.451 3.043 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3sccc32)[C@@H](C)C1 ZINC000246955955 377127423 /nfs/dbraw/zinc/12/74/23/377127423.db2.gz HPKOHOORHOCNHI-QEJZJMRPSA-N 1 3 278.465 3.445 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3sccc32)[C@@H](C)C1 ZINC000246955955 377127431 /nfs/dbraw/zinc/12/74/31/377127431.db2.gz HPKOHOORHOCNHI-QEJZJMRPSA-N 1 3 278.465 3.445 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000247019443 377139349 /nfs/dbraw/zinc/13/93/49/377139349.db2.gz MTMKKPAJVSBCBM-WCQYABFASA-N 1 3 286.872 3.264 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000247019443 377139356 /nfs/dbraw/zinc/13/93/56/377139356.db2.gz MTMKKPAJVSBCBM-WCQYABFASA-N 1 3 286.872 3.264 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000247154139 377169680 /nfs/dbraw/zinc/16/96/80/377169680.db2.gz RSAOBSSNCRNSLX-NUEKZKHPSA-N 1 3 276.424 3.219 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000247213584 377177229 /nfs/dbraw/zinc/17/72/29/377177229.db2.gz VXGODTAGULUNAT-UXLLHSPISA-N 1 3 276.399 3.275 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCSc2ccc(C)cc2)[C@@H](C)C1 ZINC000247980448 377253092 /nfs/dbraw/zinc/25/30/92/377253092.db2.gz MHRAXRNYFQJSES-DOTOQJQBSA-N 1 3 292.492 3.407 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCSc2ccc(C)cc2)[C@@H](C)C1 ZINC000247980448 377253100 /nfs/dbraw/zinc/25/31/00/377253100.db2.gz MHRAXRNYFQJSES-DOTOQJQBSA-N 1 3 292.492 3.407 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248992512 377440602 /nfs/dbraw/zinc/44/06/02/377440602.db2.gz NWVCKQVOJBVKJY-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000248861382 377414577 /nfs/dbraw/zinc/41/45/77/377414577.db2.gz MDBJXOAXSAVUEY-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120567 377465745 /nfs/dbraw/zinc/46/57/45/377465745.db2.gz TYEUSVXVDMQPCM-ULQDDVLXSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249120567 377465751 /nfs/dbraw/zinc/46/57/51/377465751.db2.gz TYEUSVXVDMQPCM-ULQDDVLXSA-N 1 3 264.457 3.252 20 0 CGADHO CCc1nc([C@H](C)N[C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000162423918 542164060 /nfs/dbraw/zinc/16/40/60/542164060.db2.gz YUWYEJWJXQESRM-NEPJUHHUSA-N 1 3 281.469 3.086 20 0 CGADHO CCC[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249258502 377483161 /nfs/dbraw/zinc/48/31/61/377483161.db2.gz GYCQMIXVMRDTKK-OFQRWUPVSA-N 1 3 250.430 3.124 20 0 CGADHO CCC[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249258502 377483167 /nfs/dbraw/zinc/48/31/67/377483167.db2.gz GYCQMIXVMRDTKK-OFQRWUPVSA-N 1 3 250.430 3.124 20 0 CGADHO C(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COC1CCCCC1 ZINC000093451429 249037400 /nfs/dbraw/zinc/03/74/00/249037400.db2.gz PCBTXIGUWCSRNI-KSZLIROESA-N 1 3 294.483 3.236 20 0 CGADHO CCO[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000166764227 542175319 /nfs/dbraw/zinc/17/53/19/542175319.db2.gz AZWYLKKABWWSLJ-KZNAEPCWSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000166764227 542175325 /nfs/dbraw/zinc/17/53/25/542175325.db2.gz AZWYLKKABWWSLJ-KZNAEPCWSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166678295 542176117 /nfs/dbraw/zinc/17/61/17/542176117.db2.gz HQLSGMHRVLPHNK-QZTJIDSGSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166678295 542176119 /nfs/dbraw/zinc/17/61/19/542176119.db2.gz HQLSGMHRVLPHNK-QZTJIDSGSA-N 1 3 272.436 3.062 20 0 CGADHO CC(C)c1nc([C@@H](C)N[C@H](C)CCC[NH3+])cs1 ZINC000422908942 249127308 /nfs/dbraw/zinc/12/73/08/249127308.db2.gz DYAIQEDLHQBNJJ-GHMZBOCLSA-N 1 3 255.431 3.045 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250124438 377552872 /nfs/dbraw/zinc/55/28/72/377552872.db2.gz VVXBZOIYDDZALW-RCCFBDPRSA-N 1 3 290.426 3.269 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@H](C)CCC[NH3+])cs1 ZINC000422908944 249127338 /nfs/dbraw/zinc/12/73/38/249127338.db2.gz DYAIQEDLHQBNJJ-MNOVXSKESA-N 1 3 255.431 3.045 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1nc(C2CCCCC2)cs1 ZINC000422907963 249127411 /nfs/dbraw/zinc/12/74/11/249127411.db2.gz CLWZATZWUALZOR-OLZOCXBDSA-N 1 3 295.496 3.449 20 0 CGADHO FC(F)(F)c1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000315297950 249099139 /nfs/dbraw/zinc/09/91/39/249099139.db2.gz XMSQHJMXXOQLDC-OKILXGFUSA-N 1 3 298.352 3.137 20 0 CGADHO CCCC1CCC(C[N@@H+]2CC[C@H](CNC)C2)CC1 ZINC000469989517 249165308 /nfs/dbraw/zinc/16/53/08/249165308.db2.gz GAALMVWTDPXKSF-UYSNPLJNSA-N 1 3 252.446 3.134 20 0 CGADHO CCCC1CCC(C[N@H+]2CC[C@H](CNC)C2)CC1 ZINC000469989517 249165311 /nfs/dbraw/zinc/16/53/11/249165311.db2.gz GAALMVWTDPXKSF-UYSNPLJNSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C1CCN(C[C@H](C)CC2CCCCC2)CC1 ZINC000470013571 249165831 /nfs/dbraw/zinc/16/58/31/249165831.db2.gz YIZDHGHLEPHGPO-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CNC1CC[NH+](C[C@H](C)CC2CCCCC2)CC1 ZINC000470013571 249165835 /nfs/dbraw/zinc/16/58/35/249165835.db2.gz YIZDHGHLEPHGPO-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251007178 377570657 /nfs/dbraw/zinc/57/06/57/377570657.db2.gz SFVOGFLYWSTHQO-XYPHTWIQSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007178 377570664 /nfs/dbraw/zinc/57/06/64/377570664.db2.gz SFVOGFLYWSTHQO-XYPHTWIQSA-N 1 3 292.854 3.487 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccs1 ZINC000251315104 377580159 /nfs/dbraw/zinc/58/01/59/377580159.db2.gz VWJSVDSLWQVDGL-RWMBFGLXSA-N 1 3 252.427 3.306 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1cccs1 ZINC000251315104 377580163 /nfs/dbraw/zinc/58/01/63/377580163.db2.gz VWJSVDSLWQVDGL-RWMBFGLXSA-N 1 3 252.427 3.306 20 0 CGADHO C(CC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000251419430 377582413 /nfs/dbraw/zinc/58/24/13/377582413.db2.gz SBAKFFGPGBZUEX-BRWVUGGUSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1ccccc1[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000251187913 377576591 /nfs/dbraw/zinc/57/65/91/377576591.db2.gz YHHWHCDHNCEDAZ-YHUYYLMFSA-N 1 3 258.409 3.271 20 0 CGADHO Cc1ccccc1[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251187913 377576594 /nfs/dbraw/zinc/57/65/94/377576594.db2.gz YHHWHCDHNCEDAZ-YHUYYLMFSA-N 1 3 258.409 3.271 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCC2 ZINC000518375804 249279724 /nfs/dbraw/zinc/27/97/24/249279724.db2.gz HEHVRYFJNLLAGZ-CQSZACIVSA-N 1 3 280.415 3.485 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000517446732 249265532 /nfs/dbraw/zinc/26/55/32/249265532.db2.gz PHGNBAHZLSWJOB-INIZCTEOSA-N 1 3 286.463 3.111 20 0 CGADHO Cc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1C ZINC000574678777 377694293 /nfs/dbraw/zinc/69/42/93/377694293.db2.gz XEZCVHNQBAOAEQ-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1C ZINC000574678777 377694300 /nfs/dbraw/zinc/69/43/00/377694300.db2.gz XEZCVHNQBAOAEQ-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000574771123 377707343 /nfs/dbraw/zinc/70/73/43/377707343.db2.gz RTSBGHJRXVHPCG-MRXNPFEDSA-N 1 3 258.409 3.171 20 0 CGADHO CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000261573191 377820461 /nfs/dbraw/zinc/82/04/61/377820461.db2.gz VAOZEADIJPKRRH-RDJZCZTQSA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261573191 377820469 /nfs/dbraw/zinc/82/04/69/377820469.db2.gz VAOZEADIJPKRRH-RDJZCZTQSA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@@H](c1ccccc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261573191 377820475 /nfs/dbraw/zinc/82/04/75/377820475.db2.gz VAOZEADIJPKRRH-RDJZCZTQSA-N 1 3 260.425 3.315 20 0 CGADHO Cc1cc(CN[C@@](C)(C[NH3+])C(C)C)c2ccccc2n1 ZINC000261646109 377831159 /nfs/dbraw/zinc/83/11/59/377831159.db2.gz CVDVXPXXRMIYBY-KRWDZBQOSA-N 1 3 271.408 3.006 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257645699 377797727 /nfs/dbraw/zinc/79/77/27/377797727.db2.gz CBEPCJIWLXHQHS-GOSISDBHSA-N 1 3 272.436 3.003 20 0 CGADHO CCCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261976406 377872990 /nfs/dbraw/zinc/87/29/90/377872990.db2.gz ITDJPHTUPZPCRA-RBUKOAKNSA-N 1 3 286.463 3.256 20 0 CGADHO C[C@@]1(CN2CCC(C)(c3ccccc3)CC2)CC[NH2+]C1 ZINC000261981733 377875698 /nfs/dbraw/zinc/87/56/98/377875698.db2.gz JGCNFMVNKUUZNY-QGZVFWFLSA-N 1 3 272.436 3.040 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12 ZINC000261723531 377843874 /nfs/dbraw/zinc/84/38/74/377843874.db2.gz KLXHXMMAWVCJQT-KZNAEPCWSA-N 1 3 266.388 3.009 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261714599 377845518 /nfs/dbraw/zinc/84/55/18/377845518.db2.gz FAWGBOBDWASKNQ-DLBZAZTESA-N 1 3 258.409 3.132 20 0 CGADHO C[C@@]1(CN2CCCC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751361 377849331 /nfs/dbraw/zinc/84/93/31/377849331.db2.gz JWEGKZWNGNXXPO-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO CCCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000575935959 378001407 /nfs/dbraw/zinc/00/14/07/378001407.db2.gz WOXXOPSWDYOIPW-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO CCCOc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000575935959 378001411 /nfs/dbraw/zinc/00/14/11/378001411.db2.gz WOXXOPSWDYOIPW-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C)C1 ZINC000467745435 284683192 /nfs/dbraw/zinc/68/31/92/284683192.db2.gz XPPYIULMKIZFLH-GRAKBVBRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000577899294 378020848 /nfs/dbraw/zinc/02/08/48/378020848.db2.gz OTBCCJXBHZJIIQ-ZBFHGGJFSA-N 1 3 290.451 3.324 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC000268849361 378130716 /nfs/dbraw/zinc/13/07/16/378130716.db2.gz PMAYDWQDAUHSEV-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011552 378152114 /nfs/dbraw/zinc/15/21/14/378152114.db2.gz DSVMXJQVZRRLNH-HZPDHXFCSA-N 1 3 294.487 3.105 20 0 CGADHO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011552 378152121 /nfs/dbraw/zinc/15/21/21/378152121.db2.gz DSVMXJQVZRRLNH-HZPDHXFCSA-N 1 3 294.487 3.105 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000578738383 378096198 /nfs/dbraw/zinc/09/61/98/378096198.db2.gz PHAWIEJPRIXNBZ-DJIMGWMZSA-N 1 3 260.425 3.156 20 0 CGADHO CCN(CCOc1c(C)cccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345210222 378223964 /nfs/dbraw/zinc/22/39/64/378223964.db2.gz QZXHDPQPBLUSLD-KRWDZBQOSA-N 1 3 290.451 3.146 20 0 CGADHO CC1CC[NH+](C[C@@H]2CCCN(CC3(C)CC3)C2)CC1 ZINC000579679728 378183043 /nfs/dbraw/zinc/18/30/43/378183043.db2.gz UPFREZTYKOVWDQ-INIZCTEOSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@H+](CC3(C)CC3)C2)CC1 ZINC000579679728 378183050 /nfs/dbraw/zinc/18/30/50/378183050.db2.gz UPFREZTYKOVWDQ-INIZCTEOSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000579679728 378183055 /nfs/dbraw/zinc/18/30/55/378183055.db2.gz UPFREZTYKOVWDQ-INIZCTEOSA-N 1 3 264.457 3.230 20 0 CGADHO [NH3+]CCCCNCc1cnc(C2CCCCC2)s1 ZINC000580168727 378229521 /nfs/dbraw/zinc/22/95/21/378229521.db2.gz QWJCKQYKATWDLM-UHFFFAOYSA-N 1 3 267.442 3.019 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175555 378470835 /nfs/dbraw/zinc/47/08/35/378470835.db2.gz FTZFMBDZFKFALK-XJKSGUPXSA-N 1 3 271.408 3.082 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175555 378470840 /nfs/dbraw/zinc/47/08/40/378470840.db2.gz FTZFMBDZFKFALK-XJKSGUPXSA-N 1 3 271.408 3.082 20 0 CGADHO CC(C)[NH+]1CCC(N(C)Cc2cccc3[nH]ccc32)CC1 ZINC000271028185 378431754 /nfs/dbraw/zinc/43/17/54/378431754.db2.gz FPMBSBCMACUZBO-UHFFFAOYSA-N 1 3 285.435 3.473 20 0 CGADHO C[C@@H]([NH2+]Cc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272252858 378595648 /nfs/dbraw/zinc/59/56/48/378595648.db2.gz YORKZKRLCWIIMJ-VQIMIIECSA-N 1 3 295.430 3.082 20 0 CGADHO CC(C)CCOc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346648259 378660686 /nfs/dbraw/zinc/66/06/86/378660686.db2.gz PDEIPAINBYCVKU-WBVHZDCISA-N 1 3 290.451 3.281 20 0 CGADHO [NH3+]CC1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000346674691 378671480 /nfs/dbraw/zinc/67/14/80/378671480.db2.gz XMFRMMGCKZDICO-UHFFFAOYSA-N 1 3 278.783 3.257 20 0 CGADHO CSC1(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000347847690 378726761 /nfs/dbraw/zinc/72/67/61/378726761.db2.gz PIHUKCCSTYSRDK-CVEARBPZSA-N 1 3 296.524 3.468 20 0 CGADHO CSC1(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000347847690 378726767 /nfs/dbraw/zinc/72/67/67/378726767.db2.gz PIHUKCCSTYSRDK-CVEARBPZSA-N 1 3 296.524 3.468 20 0 CGADHO CCC[C@H](CNC1CC[NH+](CC2CCCC2)CC1)OC ZINC000638454669 378809693 /nfs/dbraw/zinc/80/96/93/378809693.db2.gz MIPVDDUHXQLMKT-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[C@H](C[NH2+]C1CCN(CC2CCCC2)CC1)OC ZINC000638454669 378809699 /nfs/dbraw/zinc/80/96/99/378809699.db2.gz MIPVDDUHXQLMKT-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@](C)(c2ccccc2)C1 ZINC000348254451 378866097 /nfs/dbraw/zinc/86/60/97/378866097.db2.gz DYZUJMMSFREYDG-ROUUACIJSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CC[C@](C)(c2ccccc2)C1 ZINC000348254451 378866101 /nfs/dbraw/zinc/86/61/01/378866101.db2.gz DYZUJMMSFREYDG-ROUUACIJSA-N 1 3 272.436 3.134 20 0 CGADHO CCCN(Cc1coc2ccccc12)C1CC[NH2+]CC1 ZINC000346995711 218084138 /nfs/dbraw/zinc/08/41/38/218084138.db2.gz CJADPEWSKATRSA-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO CCC[N@H+](Cc1coc2ccccc12)C1CCNCC1 ZINC000346995711 218084140 /nfs/dbraw/zinc/08/41/40/218084140.db2.gz CJADPEWSKATRSA-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO CCC[N@@H+](Cc1coc2ccccc12)C1CCNCC1 ZINC000346995711 218084142 /nfs/dbraw/zinc/08/41/42/218084142.db2.gz CJADPEWSKATRSA-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000347016834 218092390 /nfs/dbraw/zinc/09/23/90/218092390.db2.gz ZFLGLNOCRXUWFX-IIAWOOMASA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCCNC1 ZINC000347016834 218092393 /nfs/dbraw/zinc/09/23/93/218092393.db2.gz ZFLGLNOCRXUWFX-IIAWOOMASA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@@H]1CCC[NH2+]C1 ZINC000347016834 218092395 /nfs/dbraw/zinc/09/23/95/218092395.db2.gz ZFLGLNOCRXUWFX-IIAWOOMASA-N 1 3 276.399 3.003 20 0 CGADHO CC[C@H](C)[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)OC ZINC000638971049 378961119 /nfs/dbraw/zinc/96/11/19/378961119.db2.gz PIIGAQYTXXFWGA-DFGXFYAUSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638971049 378961121 /nfs/dbraw/zinc/96/11/21/378961121.db2.gz PIIGAQYTXXFWGA-DFGXFYAUSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](C)[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638971049 378961123 /nfs/dbraw/zinc/96/11/23/378961123.db2.gz PIIGAQYTXXFWGA-DFGXFYAUSA-N 1 3 296.499 3.290 20 0 CGADHO CCCCOc1ccccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000347213249 218156732 /nfs/dbraw/zinc/15/67/32/218156732.db2.gz PIQADSHXMBUZTF-HNNXBMFYSA-N 1 3 290.451 3.425 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246316408 804277849 /nfs/dbraw/zinc/27/78/49/804277849.db2.gz ZIOPRQOLPWVCPQ-PWSUYJOCSA-N 1 3 272.845 3.148 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277350461 379138455 /nfs/dbraw/zinc/13/84/55/379138455.db2.gz WRIJPZAJUJRPDM-NVXWUHKLSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277350461 379138461 /nfs/dbraw/zinc/13/84/61/379138461.db2.gz WRIJPZAJUJRPDM-NVXWUHKLSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277350461 379138469 /nfs/dbraw/zinc/13/84/69/379138469.db2.gz WRIJPZAJUJRPDM-NVXWUHKLSA-N 1 3 260.425 3.472 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000373314665 379261529 /nfs/dbraw/zinc/26/15/29/379261529.db2.gz ZNNZWIAXOGKHRV-AWEZNQCLSA-N 1 3 282.497 3.126 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2Cc3ccccc3C2)CC1 ZINC000639380142 379339673 /nfs/dbraw/zinc/33/96/73/379339673.db2.gz WBLROBQYWUXKJR-UHFFFAOYSA-N 1 3 286.463 3.208 20 0 CGADHO CCC1(N(C)C)CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000639380142 379339680 /nfs/dbraw/zinc/33/96/80/379339680.db2.gz WBLROBQYWUXKJR-UHFFFAOYSA-N 1 3 286.463 3.208 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000278116252 379296036 /nfs/dbraw/zinc/29/60/36/379296036.db2.gz SECYZFMZQJEHDW-GFCCVEGCSA-N 1 3 294.389 3.490 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000278433578 379384085 /nfs/dbraw/zinc/38/40/85/379384085.db2.gz SHUFZVOGCGJVQM-CQSZACIVSA-N 1 3 293.430 3.273 20 0 CGADHO Cc1nc(F)ccc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000278433578 379384092 /nfs/dbraw/zinc/38/40/92/379384092.db2.gz SHUFZVOGCGJVQM-CQSZACIVSA-N 1 3 293.430 3.273 20 0 CGADHO c1cc(N2CCC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)ccn1 ZINC000639684567 379545513 /nfs/dbraw/zinc/54/55/13/379545513.db2.gz WPETYMLNFIFDEQ-ZACQAIPSSA-N 1 3 285.435 3.030 20 0 CGADHO c1cc(N2CCC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)ccn1 ZINC000639684567 379545519 /nfs/dbraw/zinc/54/55/19/379545519.db2.gz WPETYMLNFIFDEQ-ZACQAIPSSA-N 1 3 285.435 3.030 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3ccc(Cl)s3)C2)CC1 ZINC000639757385 379571747 /nfs/dbraw/zinc/57/17/47/379571747.db2.gz KJOUNAKQGRTQEQ-UHFFFAOYSA-N 1 3 284.856 3.319 20 0 CGADHO C[C@H](c1ccccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639759034 379572857 /nfs/dbraw/zinc/57/28/57/379572857.db2.gz ZYOXWISHXCGFRD-CQSZACIVSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccn1C ZINC000267208554 190312066 /nfs/dbraw/zinc/31/20/66/190312066.db2.gz BFUDLRNPCVTBCJ-LPHOPBHVSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccn1C ZINC000267208554 190312067 /nfs/dbraw/zinc/31/20/67/190312067.db2.gz BFUDLRNPCVTBCJ-LPHOPBHVSA-N 1 3 297.446 3.025 20 0 CGADHO Cc1nc(C)c(CN(CCC[NH3+])CC2CCCC2)s1 ZINC000352503418 379837457 /nfs/dbraw/zinc/83/74/57/379837457.db2.gz GAZXQUZMRJITCL-UHFFFAOYSA-N 1 3 281.469 3.101 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352721217 379923047 /nfs/dbraw/zinc/92/30/47/379923047.db2.gz QPGPTNRJULTFNW-QQFBHYJXSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCNC1CC(OC(C)(C)C)C1 ZINC000352721217 379923051 /nfs/dbraw/zinc/92/30/51/379923051.db2.gz QPGPTNRJULTFNW-QQFBHYJXSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCNC1CC(OC(C)(C)C)C1 ZINC000352721217 379923054 /nfs/dbraw/zinc/92/30/54/379923054.db2.gz QPGPTNRJULTFNW-QQFBHYJXSA-N 1 3 282.472 3.187 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2conc2C)CC1 ZINC000352855023 380007663 /nfs/dbraw/zinc/00/76/63/380007663.db2.gz VPDGITMUTFTWOQ-UHFFFAOYSA-N 1 3 293.455 3.317 20 0 CGADHO CCC(CC)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000409445276 380030723 /nfs/dbraw/zinc/03/07/23/380030723.db2.gz QTZAIIJULALWKJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO CCC(CC)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000409445276 380030731 /nfs/dbraw/zinc/03/07/31/380030731.db2.gz QTZAIIJULALWKJ-MRXNPFEDSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](CN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000642338816 380167155 /nfs/dbraw/zinc/16/71/55/380167155.db2.gz OAODADDTQTZLSK-INIZCTEOSA-N 1 3 281.403 3.007 20 0 CGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(C)c1 ZINC000286347577 380200020 /nfs/dbraw/zinc/20/00/20/380200020.db2.gz ZDDSVWSOMLETMU-KRWDZBQOSA-N 1 3 258.409 3.298 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353953590 380252680 /nfs/dbraw/zinc/25/26/80/380252680.db2.gz GHLCHKNANUOYKJ-VXGBXAGGSA-N 1 3 278.362 3.039 20 0 CGADHO CC[N@H+]1CC[C@@H](NCC2(C(F)(F)F)CCC2)[C@H](C)C1 ZINC000353953590 380252683 /nfs/dbraw/zinc/25/26/83/380252683.db2.gz GHLCHKNANUOYKJ-VXGBXAGGSA-N 1 3 278.362 3.039 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353462807 380208551 /nfs/dbraw/zinc/20/85/51/380208551.db2.gz PIAHMSWPJKOFRC-UAGQMJEPSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353462807 380208554 /nfs/dbraw/zinc/20/85/54/380208554.db2.gz PIAHMSWPJKOFRC-UAGQMJEPSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1F ZINC000353462807 380208558 /nfs/dbraw/zinc/20/85/58/380208558.db2.gz PIAHMSWPJKOFRC-UAGQMJEPSA-N 1 3 276.399 3.097 20 0 CGADHO FC(F)(F)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000643456533 380308640 /nfs/dbraw/zinc/30/86/40/380308640.db2.gz BIRFOHIDDNUFKI-YIONKMFJSA-N 1 3 298.352 3.121 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463535 380311313 /nfs/dbraw/zinc/31/13/13/380311313.db2.gz CFCBXGVVTQCQSK-DOTOQJQBSA-N 1 3 274.452 3.332 20 0 CGADHO CC(C)(CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000643463586 380312393 /nfs/dbraw/zinc/31/23/93/380312393.db2.gz KOXAUGGCFQWYOF-SJPCQFCGSA-N 1 3 272.436 3.227 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCCC[C@H]1C ZINC000643547542 380363536 /nfs/dbraw/zinc/36/35/36/380363536.db2.gz GSEAFFDQIWUDAC-UGUYLWEFSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H](N)[C@@H]3C2)C1 ZINC000414671532 380363633 /nfs/dbraw/zinc/36/36/33/380363633.db2.gz NXJSNXDVOCTRAX-NLNMYJFZSA-N 1 3 284.447 3.166 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@@H](N)[C@@H]3C2)C1 ZINC000414671532 380363639 /nfs/dbraw/zinc/36/36/39/380363639.db2.gz NXJSNXDVOCTRAX-NLNMYJFZSA-N 1 3 284.447 3.166 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C[C@@H]1C ZINC000354224839 380369891 /nfs/dbraw/zinc/36/98/91/380369891.db2.gz TUVQHYGZLNNEBZ-DOTOQJQBSA-N 1 3 260.425 3.034 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C[C@@H]1C ZINC000354224839 380369895 /nfs/dbraw/zinc/36/98/95/380369895.db2.gz TUVQHYGZLNNEBZ-DOTOQJQBSA-N 1 3 260.425 3.034 20 0 CGADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](N)CC(C)C ZINC000414693965 380376357 /nfs/dbraw/zinc/37/63/57/380376357.db2.gz SIQZKZYEEIURPG-IRXDYDNUSA-N 1 3 290.451 3.076 20 0 CGADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](N)CC(C)C ZINC000414693965 380376362 /nfs/dbraw/zinc/37/63/62/380376362.db2.gz SIQZKZYEEIURPG-IRXDYDNUSA-N 1 3 290.451 3.076 20 0 CGADHO C[C@H]1C[C@H](CN2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699299 380380168 /nfs/dbraw/zinc/38/01/68/380380168.db2.gz FBKRGROYUVMCGS-LSDHHAIUSA-N 1 3 282.497 3.126 20 0 CGADHO C[C@@H]1C[C@@H](CNC2(c3ccc(F)cc3F)CCC2)CC[NH2+]1 ZINC000414710694 380383074 /nfs/dbraw/zinc/38/30/74/380383074.db2.gz QGWSVBSPWCITPT-OLZOCXBDSA-N 1 3 294.389 3.322 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643522357 380339099 /nfs/dbraw/zinc/33/90/99/380339099.db2.gz LZMJYUWNEVNIHQ-DOTOQJQBSA-N 1 3 272.436 3.413 20 0 CGADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000643522299 380339601 /nfs/dbraw/zinc/33/96/01/380339601.db2.gz LGEDGAWDDDBVAN-GXTWGEPZSA-N 1 3 278.465 3.420 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)N)c1ccc(Cl)c(Cl)c1 ZINC000643525914 380341266 /nfs/dbraw/zinc/34/12/66/380341266.db2.gz IGHJWYHQOVYGTJ-QPUJVOFHSA-N 1 3 261.196 3.381 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643534083 380348273 /nfs/dbraw/zinc/34/82/73/380348273.db2.gz LGWDUVDXYJCVMN-IAQYHMDHSA-N 1 3 294.826 3.141 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc2ccccc2o1 ZINC000643534432 380349287 /nfs/dbraw/zinc/34/92/87/380349287.db2.gz VEFLAYSRVUSDAH-BLLLJJGKSA-N 1 3 270.376 3.226 20 0 CGADHO CC(C)[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643536911 380353908 /nfs/dbraw/zinc/35/39/08/380353908.db2.gz YPFBOBMBBHXOPG-HOTGVXAUSA-N 1 3 294.389 3.394 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546441 380359843 /nfs/dbraw/zinc/35/98/43/380359843.db2.gz OXPDTIKRYBLKBR-BARDWOONSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643546661 380361085 /nfs/dbraw/zinc/36/10/85/380361085.db2.gz SOTQYVHNZVNOHI-NEPJUHHUSA-N 1 3 250.411 3.073 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccc(OC)cc1 ZINC000643547068 380361138 /nfs/dbraw/zinc/36/11/38/380361138.db2.gz ZGRWQMIEVDQBBE-DOTOQJQBSA-N 1 3 288.435 3.411 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@H](C)[C@H]1OC ZINC000643547908 380362743 /nfs/dbraw/zinc/36/27/43/380362743.db2.gz KRCPUMKQIZWGRA-ZJIFWQFVSA-N 1 3 294.483 3.090 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414824133 380434272 /nfs/dbraw/zinc/43/42/72/380434272.db2.gz QBKJMDZMAUUODD-NILFDRSVSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](CCc1ccccc1F)NCC1([NH3+])CCCCC1 ZINC000414839772 380445953 /nfs/dbraw/zinc/44/59/53/380445953.db2.gz JJANIVDWXKAEIK-CQSZACIVSA-N 1 3 278.415 3.398 20 0 CGADHO Clc1cccc(CNCC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000414850765 380454237 /nfs/dbraw/zinc/45/42/37/380454237.db2.gz NEGOCWQECDLQTA-NSHDSACASA-N 1 3 287.234 3.473 20 0 CGADHO Fc1cc(Cl)ccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780846 380400826 /nfs/dbraw/zinc/40/08/26/380400826.db2.gz MBGKBPKTWJNYAF-CHWSQXEVSA-N 1 3 296.817 3.301 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(OCC2CC2)cc1 ZINC000414793424 380408922 /nfs/dbraw/zinc/40/89/22/380408922.db2.gz DIUWRMBEUPPWHU-SJLPKXTDSA-N 1 3 288.435 3.083 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414800556 380412528 /nfs/dbraw/zinc/41/25/28/380412528.db2.gz LBZJTDMMDFGFSZ-YUELXQCFSA-N 1 3 266.454 3.176 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414801857 380414334 /nfs/dbraw/zinc/41/43/34/380414334.db2.gz ATJPZUWOMPZBAM-CWRNSKLLSA-N 1 3 260.425 3.286 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414801609 380415024 /nfs/dbraw/zinc/41/50/24/380415024.db2.gz LZGZWICSAJFVRD-BMFZPTHFSA-N 1 3 252.446 3.452 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000414803847 380416195 /nfs/dbraw/zinc/41/61/95/380416195.db2.gz OIJXPKIIEJCUAB-IAQYHMDHSA-N 1 3 276.355 3.179 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000414804845 380418805 /nfs/dbraw/zinc/41/88/05/380418805.db2.gz PDNKLLXYBGJUOZ-WFASDCNBSA-N 1 3 266.816 3.256 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H](C[NH3+])C1CC1 ZINC000414807262 380419735 /nfs/dbraw/zinc/41/97/35/380419735.db2.gz NUHRJQHPBSVMOX-YMTOWFKASA-N 1 3 287.234 3.251 20 0 CGADHO COc1ccc(CNC[C@]2(C)CCC[NH2+]C2)c2ccccc12 ZINC000414911503 380486006 /nfs/dbraw/zinc/48/60/06/380486006.db2.gz UGWYVQCMWMIKBQ-LJQANCHMSA-N 1 3 298.430 3.328 20 0 CGADHO COc1ccc(C[NH2+]C[C@]2(C)CCCNC2)c2ccccc12 ZINC000414911503 380486012 /nfs/dbraw/zinc/48/60/12/380486012.db2.gz UGWYVQCMWMIKBQ-LJQANCHMSA-N 1 3 298.430 3.328 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+]C2(C)CCNCC2)s1 ZINC000414942330 380500683 /nfs/dbraw/zinc/50/06/83/380500683.db2.gz MMSNHNSDOSJVDI-UHFFFAOYSA-N 1 3 266.454 3.277 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CCN1 ZINC000414948505 380502134 /nfs/dbraw/zinc/50/21/34/380502134.db2.gz MEKBTLAMNTZNCW-SPUZQDLCSA-N 1 3 272.436 3.128 20 0 CGADHO c1ccc(C[C@H](C[NH2+]C2CCNCC2)c2ccccc2)cc1 ZINC000415121629 380508587 /nfs/dbraw/zinc/50/85/87/380508587.db2.gz MZXLFRJHKMGDSA-LJQANCHMSA-N 1 3 294.442 3.355 20 0 CGADHO c1ccc(C[C@H](CNC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000415121629 380508595 /nfs/dbraw/zinc/50/85/95/380508595.db2.gz MZXLFRJHKMGDSA-LJQANCHMSA-N 1 3 294.442 3.355 20 0 CGADHO C[NH2+]CCCNCCCc1c(Cl)cccc1Cl ZINC000414857704 380459739 /nfs/dbraw/zinc/45/97/39/380459739.db2.gz FIQPRVMPQLEHKW-UHFFFAOYSA-N 1 3 275.223 3.125 20 0 CGADHO Cc1ccc(C[NH2+]CC2(N)CCCCCC2)s1 ZINC000414862034 380461274 /nfs/dbraw/zinc/46/12/74/380461274.db2.gz UJBKZMOOZBQHBX-UHFFFAOYSA-N 1 3 252.427 3.198 20 0 CGADHO Cc1ccc(COc2ccc(CN[C@@H](C)CC[NH3+])cc2)cc1 ZINC000414889235 380475430 /nfs/dbraw/zinc/47/54/30/380475430.db2.gz GCSWJJSUOARWSI-INIZCTEOSA-N 1 3 298.430 3.401 20 0 CGADHO N[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414896986 380478729 /nfs/dbraw/zinc/47/87/29/380478729.db2.gz QLALFWVZWPXTMA-IBGZPJMESA-N 1 3 296.414 3.093 20 0 CGADHO c1ccc(C[C@H]2CC[C@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000414900193 380480724 /nfs/dbraw/zinc/48/07/24/380480724.db2.gz DETFFIJSRLAICH-KURKYZTESA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](NCCOCC1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419253273 380789120 /nfs/dbraw/zinc/78/91/20/380789120.db2.gz WNQFAIXLLHLJGK-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](NCCOCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253273 380789125 /nfs/dbraw/zinc/78/91/25/380789125.db2.gz WNQFAIXLLHLJGK-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]([NH2+]CCOCC1CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000419253273 380789130 /nfs/dbraw/zinc/78/91/30/380789130.db2.gz WNQFAIXLLHLJGK-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO C1C(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334102 380879996 /nfs/dbraw/zinc/87/99/96/380879996.db2.gz PILYYDTVOYTYBI-HOCLYGCPSA-N 1 3 262.441 3.316 20 0 CGADHO C1C(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334102 380880012 /nfs/dbraw/zinc/88/00/12/380880012.db2.gz PILYYDTVOYTYBI-HOCLYGCPSA-N 1 3 262.441 3.316 20 0 CGADHO C1C([NH2+][C@H]2CCN3CCC[C@H]3C2)CC12CCCCC2 ZINC000421334102 380880024 /nfs/dbraw/zinc/88/00/24/380880024.db2.gz PILYYDTVOYTYBI-HOCLYGCPSA-N 1 3 262.441 3.316 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362922453 382148193 /nfs/dbraw/zinc/14/81/93/382148193.db2.gz NVHVOYOHRSMHBG-UHFFFAOYSA-N 1 3 289.398 3.271 20 0 CGADHO c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c2c(c1)CNCC2 ZINC000228553704 542298842 /nfs/dbraw/zinc/29/88/42/542298842.db2.gz NKZSTHQYELHOGP-KBXCAEBGSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c2c(c1)CNCC2 ZINC000228553704 542298844 /nfs/dbraw/zinc/29/88/44/542298844.db2.gz NKZSTHQYELHOGP-KBXCAEBGSA-N 1 3 270.420 3.097 20 0 CGADHO CC1(F)CC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335375239 208310087 /nfs/dbraw/zinc/31/00/87/208310087.db2.gz YPQROINDJGTOIQ-UHFFFAOYSA-N 1 3 268.420 3.264 20 0 CGADHO CC1(F)CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000335375239 208310092 /nfs/dbraw/zinc/31/00/92/208310092.db2.gz YPQROINDJGTOIQ-UHFFFAOYSA-N 1 3 268.420 3.264 20 0 CGADHO CC[N@@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420317772 285112394 /nfs/dbraw/zinc/11/23/94/285112394.db2.gz NYKKTMVIOFPMNL-GOSISDBHSA-N 1 3 298.430 3.260 20 0 CGADHO CC[N@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420317772 285112395 /nfs/dbraw/zinc/11/23/95/285112395.db2.gz NYKKTMVIOFPMNL-GOSISDBHSA-N 1 3 298.430 3.260 20 0 CGADHO CCN(Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420317772 285112396 /nfs/dbraw/zinc/11/23/96/285112396.db2.gz NYKKTMVIOFPMNL-GOSISDBHSA-N 1 3 298.430 3.260 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765995 220313976 /nfs/dbraw/zinc/31/39/76/220313976.db2.gz FVRBILNOYBJMCW-UKRRQHHQSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(F)c2)C[C@H]1C ZINC000353765995 220313980 /nfs/dbraw/zinc/31/39/80/220313980.db2.gz FVRBILNOYBJMCW-UKRRQHHQSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000289300031 197289189 /nfs/dbraw/zinc/28/91/89/197289189.db2.gz RYOQBIOMNFVGKM-CKEIUWERSA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000289300031 197289191 /nfs/dbraw/zinc/28/91/91/197289191.db2.gz RYOQBIOMNFVGKM-CKEIUWERSA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000289300031 197289194 /nfs/dbraw/zinc/28/91/94/197289194.db2.gz RYOQBIOMNFVGKM-CKEIUWERSA-N 1 3 258.409 3.166 20 0 CGADHO CC[C@H]1CN(Cc2ccc3cc(OC)ccc3c2)CC[C@@H]1[NH3+] ZINC000317641529 542438223 /nfs/dbraw/zinc/43/82/23/542438223.db2.gz YJGGEIAUITYFEP-KXBFYZLASA-N 1 3 298.430 3.408 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000423327321 533360988 /nfs/dbraw/zinc/36/09/88/533360988.db2.gz MVQPPIYZSJXOFU-SNVBAGLBSA-N 1 3 272.314 3.237 20 0 CGADHO CO[C@@H](C)CN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411718369 533331201 /nfs/dbraw/zinc/33/12/01/533331201.db2.gz CBOFOGPGMXDHTI-INIZCTEOSA-N 1 3 290.451 3.139 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccs1 ZINC000423361902 533449898 /nfs/dbraw/zinc/44/98/98/533449898.db2.gz SOZWRLZWKLEEDZ-LLVKDONJSA-N 1 3 258.390 3.202 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000423370518 533524271 /nfs/dbraw/zinc/52/42/71/533524271.db2.gz GXMGWEYMDQZAEX-HBUWYVDXSA-N 1 3 272.436 3.357 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423323252 533653007 /nfs/dbraw/zinc/65/30/07/533653007.db2.gz AETZKOUIKIZXNM-GUYCJALGSA-N 1 3 296.405 3.265 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC000380652197 542595691 /nfs/dbraw/zinc/59/56/91/542595691.db2.gz QNRZIFLVMTYVLZ-YOEHRIQHSA-N 1 3 286.444 3.462 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1csc3ccccc13)C2 ZINC000380652197 542595692 /nfs/dbraw/zinc/59/56/92/542595692.db2.gz QNRZIFLVMTYVLZ-YOEHRIQHSA-N 1 3 286.444 3.462 20 0 CGADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1csc3ccccc13)C2 ZINC000380652197 542595695 /nfs/dbraw/zinc/59/56/95/542595695.db2.gz QNRZIFLVMTYVLZ-YOEHRIQHSA-N 1 3 286.444 3.462 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000386105756 542603197 /nfs/dbraw/zinc/60/31/97/542603197.db2.gz SIVIROZLUZENEK-WCVJEAGWSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414922841 542640405 /nfs/dbraw/zinc/64/04/05/542640405.db2.gz HJMHHHOPOOINEE-OIISXLGYSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414924770 542641180 /nfs/dbraw/zinc/64/11/80/542641180.db2.gz KRYKJYNXIVOBJL-UONOGXRCSA-N 1 3 252.789 3.008 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649320 391982946 /nfs/dbraw/zinc/98/29/46/391982946.db2.gz JKIIKXASMVTAQT-GJZGRUSLSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649320 391982949 /nfs/dbraw/zinc/98/29/49/391982949.db2.gz JKIIKXASMVTAQT-GJZGRUSLSA-N 1 3 258.409 3.130 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000423083646 542647113 /nfs/dbraw/zinc/64/71/13/542647113.db2.gz ZDTKMUVVLHXZLU-KSSFIOAISA-N 1 3 272.436 3.432 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000423083644 542647116 /nfs/dbraw/zinc/64/71/16/542647116.db2.gz ZDTKMUVVLHXZLU-KDOFPFPSSA-N 1 3 272.436 3.432 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061329114 392127348 /nfs/dbraw/zinc/12/73/48/392127348.db2.gz LEGGIUXQRSYDTC-GXTWGEPZSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061329114 392127353 /nfs/dbraw/zinc/12/73/53/392127353.db2.gz LEGGIUXQRSYDTC-GXTWGEPZSA-N 1 3 264.438 3.057 20 0 CGADHO C1C[C@@H]([NH2+]C2CCCCC2)[C@H]([C@@H]2CCCCN2)C1 ZINC000093487983 392237454 /nfs/dbraw/zinc/23/74/54/392237454.db2.gz XIUQWAQEYRALSZ-HRCADAONSA-N 1 3 250.430 3.220 20 0 CGADHO CC[N@H+](CC[C@H]1CCCN1C)[C@H](C)c1cccc(O)c1 ZINC000245684977 131087391 /nfs/dbraw/zinc/08/73/91/131087391.db2.gz UYTBBSRFNVVALI-GDBMZVCRSA-N 1 3 276.424 3.259 20 0 CGADHO CC[N@@H+](CC[C@H]1CCCN1C)[C@H](C)c1cccc(O)c1 ZINC000245684977 131087392 /nfs/dbraw/zinc/08/73/92/131087392.db2.gz UYTBBSRFNVVALI-GDBMZVCRSA-N 1 3 276.424 3.259 20 0 CGADHO CCOc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000263770619 131326556 /nfs/dbraw/zinc/32/65/56/131326556.db2.gz ZRBUCSFNUBYZNQ-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO CCOc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000263770619 131326558 /nfs/dbraw/zinc/32/65/58/131326558.db2.gz ZRBUCSFNUBYZNQ-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO COc1ccccc1C1(N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000647329281 392672344 /nfs/dbraw/zinc/67/23/44/392672344.db2.gz KVVZZORKQZFBOI-CQSZACIVSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174315937 392639199 /nfs/dbraw/zinc/63/91/99/392639199.db2.gz GUBFQSNTIZARNP-WCXIOVBPSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(Cl)c1 ZINC000181422681 392730140 /nfs/dbraw/zinc/73/01/40/392730140.db2.gz XERYSADKMKRDSL-IUODEOHRSA-N 1 3 266.816 3.475 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647479321 392734729 /nfs/dbraw/zinc/73/47/29/392734729.db2.gz CBWJVBURKATOEM-XWSJACJDSA-N 1 3 284.447 3.254 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H](c2ccccc2)C(C)C)CC[C@H]1N ZINC000647497481 392740585 /nfs/dbraw/zinc/74/05/85/392740585.db2.gz JHEIURBFCNZBIJ-BPQIPLTHSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H](c2ccccc2)C(C)C)CC[C@H]1N ZINC000647497481 392740587 /nfs/dbraw/zinc/74/05/87/392740587.db2.gz JHEIURBFCNZBIJ-BPQIPLTHSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1CN(C[C@H](c2ccccc2)C(C)C)CC[C@H]1[NH3+] ZINC000647497481 392740591 /nfs/dbraw/zinc/74/05/91/392740591.db2.gz JHEIURBFCNZBIJ-BPQIPLTHSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@H]1CN(CCCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497366 392740674 /nfs/dbraw/zinc/74/06/74/392740674.db2.gz FAMPRRXWWXKCAC-WMZOPIPTSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498982 392742373 /nfs/dbraw/zinc/74/23/73/392742373.db2.gz WHCGYCGEOVACEM-SJLPKXTDSA-N 1 3 295.430 3.308 20 0 CGADHO CCC(CC)c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000647786801 392795920 /nfs/dbraw/zinc/79/59/20/392795920.db2.gz YXTYNSYWQZFWIY-SOUVJXGZSA-N 1 3 291.439 3.056 20 0 CGADHO CSc1cccc(F)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796893 392800358 /nfs/dbraw/zinc/80/03/58/392800358.db2.gz QSUXKKXSMQKVHP-YNEHKIRRSA-N 1 3 294.439 3.025 20 0 CGADHO Cc1cccc(C2(N[C@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000647802877 392805253 /nfs/dbraw/zinc/80/52/53/392805253.db2.gz WORUVYJACLXUND-INIZCTEOSA-N 1 3 258.409 3.106 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2CCC(F)CC2)c2ccccc21 ZINC000647803746 392805405 /nfs/dbraw/zinc/80/54/05/392805405.db2.gz AKGMMONELOEHBR-UQZDFYISSA-N 1 3 262.372 3.249 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@H]2CC23CCCC3)CC1 ZINC000336528128 392860600 /nfs/dbraw/zinc/86/06/00/392860600.db2.gz DTNWGJICPBYRRE-AWEZNQCLSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000337272580 392878273 /nfs/dbraw/zinc/87/82/73/392878273.db2.gz CFNACMXGAHDZEP-PMPSAXMXSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337272580 392878278 /nfs/dbraw/zinc/87/82/78/392878278.db2.gz CFNACMXGAHDZEP-PMPSAXMXSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)OC[C@@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337272580 392878282 /nfs/dbraw/zinc/87/82/82/392878282.db2.gz CFNACMXGAHDZEP-PMPSAXMXSA-N 1 3 282.472 3.043 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000525864009 392949361 /nfs/dbraw/zinc/94/93/61/392949361.db2.gz BALOZWDBWSFCKA-CABCVRRESA-N 1 3 278.415 3.251 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000459741763 392954112 /nfs/dbraw/zinc/95/41/12/392954112.db2.gz NQYJZJPDXOGMSU-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000459741763 392954118 /nfs/dbraw/zinc/95/41/18/392954118.db2.gz NQYJZJPDXOGMSU-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]([NH3+])[C@@H](C)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415005349 393089130 /nfs/dbraw/zinc/08/91/30/393089130.db2.gz APPKXVWVYRSIEB-GMTAPVOTSA-N 1 3 274.330 3.134 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccc(Cl)cc1F ZINC000415015630 393097054 /nfs/dbraw/zinc/09/70/54/393097054.db2.gz OMACDAQACHLKDM-SNVBAGLBSA-N 1 3 258.768 3.086 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415017312 393098678 /nfs/dbraw/zinc/09/86/78/393098678.db2.gz POUWZWZIGGGCOC-CHWSQXEVSA-N 1 3 288.366 3.443 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC000414954641 393063341 /nfs/dbraw/zinc/06/33/41/393063341.db2.gz SUKWDCFBTYTACV-KUQKPQIMSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC000414966533 393071314 /nfs/dbraw/zinc/07/13/14/393071314.db2.gz GNVUHUOIJLOORA-QGZVFWFLSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)c1ccc(CCN[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414966533 393071325 /nfs/dbraw/zinc/07/13/25/393071325.db2.gz GNVUHUOIJLOORA-QGZVFWFLSA-N 1 3 274.452 3.330 20 0 CGADHO c1ccc(C[C@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415065949 393124809 /nfs/dbraw/zinc/12/48/09/393124809.db2.gz IABYLFPGLRRDIO-SJLPKXTDSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252881473 393126961 /nfs/dbraw/zinc/12/69/61/393126961.db2.gz YSTFKWFSSWBTEG-XTBFLFJDSA-N 1 3 278.827 3.460 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@H]2N[C@H]2CCC[NH2+]C2)cc1 ZINC000415083346 393137265 /nfs/dbraw/zinc/13/72/65/393137265.db2.gz PUDYRELFTZSBQY-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000415100785 393144989 /nfs/dbraw/zinc/14/49/89/393144989.db2.gz IASWVAXVZIYYNH-YSVLISHTSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)[C@@H]1CCCNC1 ZINC000415100785 393144992 /nfs/dbraw/zinc/14/49/92/393144992.db2.gz IASWVAXVZIYYNH-YSVLISHTSA-N 1 3 258.409 3.042 20 0 CGADHO FC(F)(F)c1cccc(C2(C[NH2+]C3CCNCC3)CC2)c1 ZINC000415115708 393148533 /nfs/dbraw/zinc/14/85/33/393148533.db2.gz ULOARVFZNFDWQM-UHFFFAOYSA-N 1 3 298.352 3.079 20 0 CGADHO FC(F)(F)c1cccc(C2(CNC3CC[NH2+]CC3)CC2)c1 ZINC000415115708 393148540 /nfs/dbraw/zinc/14/85/40/393148540.db2.gz ULOARVFZNFDWQM-UHFFFAOYSA-N 1 3 298.352 3.079 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H](C)c1ccc(F)cc1F ZINC000415116711 393149221 /nfs/dbraw/zinc/14/92/21/393149221.db2.gz VCBGIQOTURVEIO-BZPMIXESSA-N 1 3 282.378 3.189 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000470300761 393238700 /nfs/dbraw/zinc/23/87/00/393238700.db2.gz XFBBTINLTBVXPU-OALUTQOASA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000470300761 393238704 /nfs/dbraw/zinc/23/87/04/393238704.db2.gz XFBBTINLTBVXPU-OALUTQOASA-N 1 3 286.463 3.379 20 0 CGADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000424374018 285522762 /nfs/dbraw/zinc/52/27/62/285522762.db2.gz KOULSRBNSPFJFQ-ZMMAXQRCSA-N 1 3 298.430 3.021 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000277305595 393308321 /nfs/dbraw/zinc/30/83/21/393308321.db2.gz UJLFENLQMCEMHN-RDJZCZTQSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)c1ccccc1 ZINC000277305595 393308327 /nfs/dbraw/zinc/30/83/27/393308327.db2.gz UJLFENLQMCEMHN-RDJZCZTQSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@@H](CN1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305595 393308332 /nfs/dbraw/zinc/30/83/32/393308332.db2.gz UJLFENLQMCEMHN-RDJZCZTQSA-N 1 3 260.425 3.206 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000355215387 393262406 /nfs/dbraw/zinc/26/24/06/393262406.db2.gz CMOSIRFOGVVQDX-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000355215387 393262410 /nfs/dbraw/zinc/26/24/10/393262410.db2.gz CMOSIRFOGVVQDX-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000355215387 393262415 /nfs/dbraw/zinc/26/24/15/393262415.db2.gz CMOSIRFOGVVQDX-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000355215387 393262418 /nfs/dbraw/zinc/26/24/18/393262418.db2.gz CMOSIRFOGVVQDX-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO CCCC[C@@H](COC)[NH2+]CCCN1CCCC[C@H]1C ZINC000479900757 393434220 /nfs/dbraw/zinc/43/42/20/393434220.db2.gz KXVVWERHAKJBID-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@@H](COC)NCCC[N@@H+]1CCCC[C@H]1C ZINC000479900757 393434223 /nfs/dbraw/zinc/43/42/23/393434223.db2.gz KXVVWERHAKJBID-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@@H](COC)NCCC[N@H+]1CCCC[C@H]1C ZINC000479900757 393434226 /nfs/dbraw/zinc/43/42/26/393434226.db2.gz KXVVWERHAKJBID-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN(C)C)CCC2 ZINC000425943394 393445919 /nfs/dbraw/zinc/44/59/19/393445919.db2.gz IQXLYZWNSAEVGH-YOEHRIQHSA-N 1 3 260.425 3.160 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H](C)C[NH+](C)C)CCC2 ZINC000425943394 393445923 /nfs/dbraw/zinc/44/59/23/393445923.db2.gz IQXLYZWNSAEVGH-YOEHRIQHSA-N 1 3 260.425 3.160 20 0 CGADHO CCCCN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420293646 393451414 /nfs/dbraw/zinc/45/14/14/393451414.db2.gz AAFUIVFSRYSRPV-OAHLLOKOSA-N 1 3 278.415 3.427 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(C)Cc2ccc(C)cc2)cc1 ZINC000420295985 393454259 /nfs/dbraw/zinc/45/42/59/393454259.db2.gz BHYZXPLNBGNBRS-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2ccc(C)cc2)cc1 ZINC000420295985 393454265 /nfs/dbraw/zinc/45/42/65/393454265.db2.gz BHYZXPLNBGNBRS-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2ccc(C)cc2)cc1 ZINC000420295985 393454268 /nfs/dbraw/zinc/45/42/68/393454268.db2.gz BHYZXPLNBGNBRS-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO CCc1cccc(CN(CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420316997 393463607 /nfs/dbraw/zinc/46/36/07/393463607.db2.gz UDKROPQWQAOXFW-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO CC[C@@H](C)C[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000647245008 393409770 /nfs/dbraw/zinc/40/97/70/393409770.db2.gz NAAABACEFFXGHL-NVXWUHKLSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H](C)C[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000647245008 393409775 /nfs/dbraw/zinc/40/97/75/393409775.db2.gz NAAABACEFFXGHL-NVXWUHKLSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000420412748 393486191 /nfs/dbraw/zinc/48/61/91/393486191.db2.gz SPTHZGQJDQWAON-SUYBPPKGSA-N 1 3 276.399 3.120 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488466546 393524961 /nfs/dbraw/zinc/52/49/61/393524961.db2.gz VXIZKMJKXVTFFP-ZIAGYGMSSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488466546 393524963 /nfs/dbraw/zinc/52/49/63/393524963.db2.gz VXIZKMJKXVTFFP-ZIAGYGMSSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488466546 393524968 /nfs/dbraw/zinc/52/49/68/393524968.db2.gz VXIZKMJKXVTFFP-ZIAGYGMSSA-N 1 3 272.502 3.227 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663143 393532047 /nfs/dbraw/zinc/53/20/47/393532047.db2.gz ZEMVDFAKXPMUBO-QZTJIDSGSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663143 393532048 /nfs/dbraw/zinc/53/20/48/393532048.db2.gz ZEMVDFAKXPMUBO-QZTJIDSGSA-N 1 3 290.426 3.273 20 0 CGADHO Cc1ccc(SCCN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000430552830 393574753 /nfs/dbraw/zinc/57/47/53/393574753.db2.gz BUUUHIYTDBQACH-JKSUJKDBSA-N 1 3 292.492 3.455 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1C1CC1 ZINC000666743435 542812332 /nfs/dbraw/zinc/81/23/32/542812332.db2.gz ILHJLCTXPBIHIA-RHSMWYFYSA-N 1 3 258.409 3.171 20 0 CGADHO CCC[C@@H](C[NH2+][C@@H]1CCCNCC1)c1ccccc1 ZINC000666856404 542820461 /nfs/dbraw/zinc/82/04/61/542820461.db2.gz GXLZPQDAWUKQHM-DLBZAZTESA-N 1 3 260.425 3.302 20 0 CGADHO C[C@H](NCCc1c(Cl)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422731500 393640771 /nfs/dbraw/zinc/64/07/71/393640771.db2.gz HEBAJTPHQCSABN-WDEREUQCSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000422759859 393641780 /nfs/dbraw/zinc/64/17/80/393641780.db2.gz KGQJWOCIZZDXKX-OTRWWLKZSA-N 1 3 260.425 3.113 20 0 CGADHO Clc1cccc(Cl)c1CCN[C@H]1CCC[NH2+]CC1 ZINC000422746580 393641883 /nfs/dbraw/zinc/64/18/83/393641883.db2.gz ZWIRAKPRSCGNMP-NSHDSACASA-N 1 3 287.234 3.268 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423050613 393649354 /nfs/dbraw/zinc/64/93/54/393649354.db2.gz YYPVAQYIIZWGPX-ORQFMDKSSA-N 1 3 282.472 3.090 20 0 CGADHO CC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(C)cc1 ZINC000423325217 393661666 /nfs/dbraw/zinc/66/16/66/393661666.db2.gz JFDBMNQJMVOURK-SJORKVTESA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccc(C)cc1 ZINC000423325217 393661673 /nfs/dbraw/zinc/66/16/73/393661673.db2.gz JFDBMNQJMVOURK-SJORKVTESA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423469340 393669369 /nfs/dbraw/zinc/66/93/69/393669369.db2.gz OUJZNCKNFSHDSV-OUJBWJOFSA-N 1 3 297.240 3.324 20 0 CGADHO CC[C@H](N)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423478902 393669987 /nfs/dbraw/zinc/66/99/87/393669987.db2.gz UWDNXMFFAVSMKP-HZMBPMFUSA-N 1 3 252.789 3.044 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)NCCC[NH+](C)C ZINC000491411522 393687164 /nfs/dbraw/zinc/68/71/64/393687164.db2.gz XXEJQHJAWZNIRI-INIZCTEOSA-N 1 3 280.481 3.345 20 0 CGADHO CC1(C)CC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000433164584 393691677 /nfs/dbraw/zinc/69/16/77/393691677.db2.gz RUZPGTNSYGDMDL-QGZVFWFLSA-N 1 3 286.463 3.329 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000502284698 393872403 /nfs/dbraw/zinc/87/24/03/393872403.db2.gz HMMJFCLBJSLZOG-VQHPVUNQSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666995183 542832380 /nfs/dbraw/zinc/83/23/80/542832380.db2.gz FNRNSAMOSXDPOF-GOEBONIOSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666995183 542832383 /nfs/dbraw/zinc/83/23/83/542832383.db2.gz FNRNSAMOSXDPOF-GOEBONIOSA-N 1 3 258.409 3.054 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995035 542832413 /nfs/dbraw/zinc/83/24/13/542832413.db2.gz AZFJUHMNAHNTBK-DLBZAZTESA-N 1 3 272.436 3.272 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666996704 542833550 /nfs/dbraw/zinc/83/35/50/542833550.db2.gz AKNJYHDHSBIDKD-OAGGEKHMSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995544 542833709 /nfs/dbraw/zinc/83/37/09/542833709.db2.gz QWIQFNJWYISVRY-DOTOQJQBSA-N 1 3 272.436 3.190 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995544 542833712 /nfs/dbraw/zinc/83/37/12/542833712.db2.gz QWIQFNJWYISVRY-DOTOQJQBSA-N 1 3 272.436 3.190 20 0 CGADHO CC[C@@H](C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666996998 542833915 /nfs/dbraw/zinc/83/39/15/542833915.db2.gz QRILTBDHPGOLFD-RDJZCZTQSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)Cc1ccccc1 ZINC000666995730 542834077 /nfs/dbraw/zinc/83/40/77/542834077.db2.gz XTTZUHIKIFWPLI-DOTOQJQBSA-N 1 3 272.436 3.130 20 0 CGADHO CCC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)COC1 ZINC000449599726 393917937 /nfs/dbraw/zinc/91/79/37/393917937.db2.gz LMBZPZCVIZXJCM-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CCC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)COC1 ZINC000449599726 393917940 /nfs/dbraw/zinc/91/79/40/393917940.db2.gz LMBZPZCVIZXJCM-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449642722 393932633 /nfs/dbraw/zinc/93/26/33/393932633.db2.gz XRQKESNTMHCIRM-OWLYRPNTSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449642722 393932636 /nfs/dbraw/zinc/93/26/36/393932636.db2.gz XRQKESNTMHCIRM-OWLYRPNTSA-N 1 3 296.499 3.169 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000453080411 394164313 /nfs/dbraw/zinc/16/43/13/394164313.db2.gz LTZNZXSWBBITNQ-DZGCQCFKSA-N 1 3 296.480 3.244 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000453080411 394164315 /nfs/dbraw/zinc/16/43/15/394164315.db2.gz LTZNZXSWBBITNQ-DZGCQCFKSA-N 1 3 296.480 3.244 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccncc1 ZINC000453099522 394170608 /nfs/dbraw/zinc/17/06/08/394170608.db2.gz WFZIKPHUPSGGHY-KRWDZBQOSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(OCCN(C)C)cc1 ZINC000453226768 394211474 /nfs/dbraw/zinc/21/14/74/394211474.db2.gz AHWWDPSKRKTZOR-KTAKPFMOSA-N 1 3 294.414 3.168 20 0 CGADHO COC1(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCCCC1 ZINC000483283777 292112520 /nfs/dbraw/zinc/11/25/20/292112520.db2.gz ZHMJCROHNGHDGU-KRWDZBQOSA-N 1 3 294.483 3.144 20 0 CGADHO COC1(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCCCC1 ZINC000483283777 292112522 /nfs/dbraw/zinc/11/25/22/292112522.db2.gz ZHMJCROHNGHDGU-KRWDZBQOSA-N 1 3 294.483 3.144 20 0 CGADHO COC1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000483283777 292112525 /nfs/dbraw/zinc/11/25/25/292112525.db2.gz ZHMJCROHNGHDGU-KRWDZBQOSA-N 1 3 294.483 3.144 20 0 CGADHO CC[C@H]1CN(Cc2c(OC)ccc3ccccc32)CC[C@H]1[NH3+] ZINC000387608337 397690377 /nfs/dbraw/zinc/69/03/77/397690377.db2.gz XRIAYCHREZGTET-KBXCAEBGSA-N 1 3 298.430 3.408 20 0 CGADHO c1cc2c(c(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702891 397897500 /nfs/dbraw/zinc/89/75/00/397897500.db2.gz ZRWDVTPBUQGNDG-IEBWSBKVSA-N 1 3 284.447 3.139 20 0 CGADHO CC[C@H](OCCN[C@@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000650710521 397898320 /nfs/dbraw/zinc/89/83/20/397898320.db2.gz QOVFQFVIVXZRET-SZMVWBNQSA-N 1 3 290.451 3.275 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](c1cccnc1)C(C)C ZINC000650756510 397909915 /nfs/dbraw/zinc/90/99/15/397909915.db2.gz CEUGGPFWUAKMLJ-GOSISDBHSA-N 1 3 283.419 3.288 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(F)cc1 ZINC000650760259 397911141 /nfs/dbraw/zinc/91/11/41/397911141.db2.gz ZHBULMMSWQHYRW-CYBMUJFWSA-N 1 3 272.367 3.396 20 0 CGADHO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000675723186 543358148 /nfs/dbraw/zinc/35/81/48/543358148.db2.gz ZDUYAYWUGTTXOR-CABCVRRESA-N 1 3 278.440 3.466 20 0 CGADHO CCOC1CC(C[NH2+][C@@H]2CCCC[C@@H]2CN(CC)CC)C1 ZINC000509127350 286012538 /nfs/dbraw/zinc/01/25/38/286012538.db2.gz WUKJSAKEHJDQQA-GPQLOAJWSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678121062 543485061 /nfs/dbraw/zinc/48/50/61/543485061.db2.gz YOAYWUJOQJQNPJ-HZPDHXFCSA-N 1 3 290.451 3.105 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1CC[C@H]1CCC[N@@H+]1C ZINC000678077543 543481299 /nfs/dbraw/zinc/48/12/99/543481299.db2.gz UQZBGHKKPSVCRD-SJLPKXTDSA-N 1 3 272.436 3.480 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1CC[C@H]1CCC[N@H+]1C ZINC000678077543 543481301 /nfs/dbraw/zinc/48/13/01/543481301.db2.gz UQZBGHKKPSVCRD-SJLPKXTDSA-N 1 3 272.436 3.480 20 0 CGADHO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271129 543506568 /nfs/dbraw/zinc/50/65/68/543506568.db2.gz OREGHIHWWPMZKS-RDJZCZTQSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271129 543506570 /nfs/dbraw/zinc/50/65/70/543506570.db2.gz OREGHIHWWPMZKS-RDJZCZTQSA-N 1 3 290.451 3.247 20 0 CGADHO Clc1ccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000678582554 543537661 /nfs/dbraw/zinc/53/76/61/543537661.db2.gz KRUICSIBRYOJBE-SJORKVTESA-N 1 3 292.854 3.489 20 0 CGADHO Clc1ccc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678582554 543537662 /nfs/dbraw/zinc/53/76/62/543537662.db2.gz KRUICSIBRYOJBE-SJORKVTESA-N 1 3 292.854 3.489 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000678773322 543556565 /nfs/dbraw/zinc/55/65/65/543556565.db2.gz MSCQDTPMEIIFJZ-UHFFFAOYSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1ccc(CCNC2CC[NH+](CC(C)C)CC2)cc1 ZINC000678773322 543556567 /nfs/dbraw/zinc/55/65/67/543556567.db2.gz MSCQDTPMEIIFJZ-UHFFFAOYSA-N 1 3 274.452 3.248 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423170788 286206093 /nfs/dbraw/zinc/20/60/93/286206093.db2.gz YWKDBRXLHKMWSG-MWDXBVQZSA-N 1 3 282.472 3.235 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCC[C@H](C)[NH3+] ZINC000423226193 292298262 /nfs/dbraw/zinc/29/82/62/292298262.db2.gz PSBAPTRESASIKX-BLLLJJGKSA-N 1 3 271.408 3.181 20 0 CGADHO C[C@@H](N[C@@H]1CCCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423559200 287056941 /nfs/dbraw/zinc/05/69/41/287056941.db2.gz ORTSONCUCZEKHJ-BLYZHGLHSA-N 1 3 292.389 3.475 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425706 287089682 /nfs/dbraw/zinc/08/96/82/287089682.db2.gz ARMMIZLYUJKYSV-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425706 287089683 /nfs/dbraw/zinc/08/96/83/287089683.db2.gz ARMMIZLYUJKYSV-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000089146127 165201119 /nfs/dbraw/zinc/20/11/19/165201119.db2.gz RMULWEORUXWTFS-RISCZKNCSA-N 1 3 270.779 3.086 20 0 CGADHO C[C@H](c1cccc(Br)c1)N(C)CC(C)(C)C[NH3+] ZINC000093872925 165340928 /nfs/dbraw/zinc/34/09/28/165340928.db2.gz HAHLODCOUZGXLL-LLVKDONJSA-N 1 3 299.256 3.427 20 0 CGADHO C[C@H](c1cccc(Br)c1)[N@H+](C)CC(C)(C)CN ZINC000093872925 165340930 /nfs/dbraw/zinc/34/09/30/165340930.db2.gz HAHLODCOUZGXLL-LLVKDONJSA-N 1 3 299.256 3.427 20 0 CGADHO C[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)(C)CN ZINC000093872925 165340935 /nfs/dbraw/zinc/34/09/35/165340935.db2.gz HAHLODCOUZGXLL-LLVKDONJSA-N 1 3 299.256 3.427 20 0 CGADHO C[C@@H]([C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1)C1CCCCC1 ZINC000423371562 287126764 /nfs/dbraw/zinc/12/67/64/287126764.db2.gz GPFIDCFEHWXOEV-DARAHFNDSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261701385 287133372 /nfs/dbraw/zinc/13/33/72/287133372.db2.gz ILVCRJZBHSOYKE-SMDDNHRTSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@](C)(CN)C1 ZINC000261701385 287133373 /nfs/dbraw/zinc/13/33/73/287133373.db2.gz ILVCRJZBHSOYKE-SMDDNHRTSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](C)(CN)C1 ZINC000261701385 287133374 /nfs/dbraw/zinc/13/33/74/287133374.db2.gz ILVCRJZBHSOYKE-SMDDNHRTSA-N 1 3 286.341 3.437 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344294492 287213939 /nfs/dbraw/zinc/21/39/39/287213939.db2.gz ITTZFDXHQJUKPO-UKRRQHHQSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC1 ZINC000123717246 287224351 /nfs/dbraw/zinc/22/43/51/287224351.db2.gz KWFPBYJDWWFVGT-QGZVFWFLSA-N 1 3 260.425 3.272 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000124253857 287231376 /nfs/dbraw/zinc/23/13/76/287231376.db2.gz ZGFVJRRCWOKFJZ-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CC1 ZINC000125975246 287254286 /nfs/dbraw/zinc/25/42/86/287254286.db2.gz OBYZWQJEVJJLQQ-GOEBONIOSA-N 1 3 252.446 3.131 20 0 CGADHO Clc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000021812032 171329748 /nfs/dbraw/zinc/32/97/48/171329748.db2.gz JTWKQUSAQIBXGQ-UHFFFAOYSA-N 1 3 266.816 3.306 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCSc1ccccc1)C2 ZINC000285350486 196257917 /nfs/dbraw/zinc/25/79/17/196257917.db2.gz AWBJPFONCIILOY-XYPWUTKMSA-N 1 3 290.476 3.336 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCSc1ccccc1)C2 ZINC000285350486 196257918 /nfs/dbraw/zinc/25/79/18/196257918.db2.gz AWBJPFONCIILOY-XYPWUTKMSA-N 1 3 290.476 3.336 20 0 CGADHO C[NH2+]C[C@H]1CCCN(Cc2c(C)cc(C)cc2C)C1 ZINC000040591820 174347541 /nfs/dbraw/zinc/34/75/41/174347541.db2.gz QNBXCDOHEJQSHY-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO C[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)c1ccc(F)cc1 ZINC000127612096 287291890 /nfs/dbraw/zinc/29/18/90/287291890.db2.gz AYKIYUKCWHOENR-GJZGRUSLSA-N 1 3 278.415 3.251 20 0 CGADHO Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc2n1 ZINC000050163790 175510699 /nfs/dbraw/zinc/51/06/99/175510699.db2.gz VGISTXQNDOFPIJ-ZIAGYGMSSA-N 1 3 269.392 3.343 20 0 CGADHO C[C@H](CC1CC1)[NH2+]CCCN(C)C1CCCCC1 ZINC000128763132 287318006 /nfs/dbraw/zinc/31/80/06/287318006.db2.gz LBWDXGLWXVCKLT-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[NH+](C)CCC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000077172885 177230213 /nfs/dbraw/zinc/23/02/13/177230213.db2.gz XIVNEKZTEPDAHL-UHFFFAOYSA-N 1 3 297.446 3.399 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049257385 416470075 /nfs/dbraw/zinc/47/00/75/416470075.db2.gz GEINXAMACOBKQG-AEFFLSMTSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1ccc(Cl)s1 ZINC000226350940 416522214 /nfs/dbraw/zinc/52/22/14/416522214.db2.gz XJFCCFKPPHSVJJ-MNOVXSKESA-N 1 3 272.845 3.064 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000315061938 416537844 /nfs/dbraw/zinc/53/78/44/416537844.db2.gz ZYYVSBGNYJTAQJ-OIISXLGYSA-N 1 3 280.415 3.442 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)[C@@H]1CC[NH3+] ZINC000404330064 416551861 /nfs/dbraw/zinc/55/18/61/416551861.db2.gz YLUOAALQVXZPRI-IUODEOHRSA-N 1 3 298.377 3.237 20 0 CGADHO C[C@H]1CCCN(Cc2ccnc3ccccc23)[C@@H]1CC[NH3+] ZINC000404319552 416552001 /nfs/dbraw/zinc/55/20/01/416552001.db2.gz IOVCTCWEVNOUGG-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)[C@@H]1CCN ZINC000404319552 416552006 /nfs/dbraw/zinc/55/20/06/416552006.db2.gz IOVCTCWEVNOUGG-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@@H]1CCN ZINC000404319552 416552011 /nfs/dbraw/zinc/55/20/11/416552011.db2.gz IOVCTCWEVNOUGG-KBXCAEBGSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc3ncccc3c2)[C@H]1CC[NH3+] ZINC000404369255 416553111 /nfs/dbraw/zinc/55/31/11/416553111.db2.gz IFOOAHKCLMEYEI-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)[C@H]1CCN ZINC000404369255 416553114 /nfs/dbraw/zinc/55/31/14/416553114.db2.gz IFOOAHKCLMEYEI-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)[C@H]1CCN ZINC000404369255 416553117 /nfs/dbraw/zinc/55/31/17/416553117.db2.gz IFOOAHKCLMEYEI-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000129812893 287339431 /nfs/dbraw/zinc/33/94/31/287339431.db2.gz GAPQOWHNGLQMFY-INIZCTEOSA-N 1 3 278.827 3.403 20 0 CGADHO Oc1cccc2c(N3CCC[C@@H]([NH+]4CCCC4)C3)ccnc12 ZINC000682239848 543836403 /nfs/dbraw/zinc/83/64/03/543836403.db2.gz ZVMJCEOTPTVPGR-CQSZACIVSA-N 1 3 297.402 3.005 20 0 CGADHO C[C@H]([NH2+]CCC[C@H]1CCOC1)[C@H]1CCCN(C2CCC2)C1 ZINC000683888807 543949794 /nfs/dbraw/zinc/94/97/94/543949794.db2.gz KXWGCBACJOVPFG-ULQDDVLXSA-N 1 3 294.483 3.046 20 0 CGADHO FC(F)C1CC(NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000684799536 544031258 /nfs/dbraw/zinc/03/12/58/544031258.db2.gz MFUMRUCGHPVFIK-SSDMNJCBSA-N 1 3 286.410 3.417 20 0 CGADHO FC(F)C1CC(NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000684799536 544031260 /nfs/dbraw/zinc/03/12/60/544031260.db2.gz MFUMRUCGHPVFIK-SSDMNJCBSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462826 544076317 /nfs/dbraw/zinc/07/63/17/544076317.db2.gz NWCUSFDJZZBNCH-HOCLYGCPSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462826 544076319 /nfs/dbraw/zinc/07/63/19/544076319.db2.gz NWCUSFDJZZBNCH-HOCLYGCPSA-N 1 3 266.473 3.332 20 0 CGADHO CCC[NH+]1CCC(NC[C@@H](OC)C2CCCCC2)CC1 ZINC000658330784 418938230 /nfs/dbraw/zinc/93/82/30/418938230.db2.gz VBUMWIZYDNDDGC-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](OCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000652236372 418939774 /nfs/dbraw/zinc/93/97/74/418939774.db2.gz KOAOGHKQHLJWOB-JQHSSLGASA-N 1 3 290.451 3.227 20 0 CGADHO CC[C@H](OCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000652236372 418939775 /nfs/dbraw/zinc/93/97/75/418939775.db2.gz KOAOGHKQHLJWOB-JQHSSLGASA-N 1 3 290.451 3.227 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000659977397 419049024 /nfs/dbraw/zinc/04/90/24/419049024.db2.gz XRJVCFCJWOENSC-KGLIPLIRSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000659977397 419049028 /nfs/dbraw/zinc/04/90/28/419049028.db2.gz XRJVCFCJWOENSC-KGLIPLIRSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000659977397 419049030 /nfs/dbraw/zinc/04/90/30/419049030.db2.gz XRJVCFCJWOENSC-KGLIPLIRSA-N 1 3 276.415 3.332 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)c2ccccc21 ZINC000665232960 419087390 /nfs/dbraw/zinc/08/73/90/419087390.db2.gz YMDLGDDQAJJJIF-DOTOQJQBSA-N 1 3 293.370 3.105 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CC[C@@H](C)SC1)N1CCCCC1 ZINC000655754690 419088276 /nfs/dbraw/zinc/08/82/76/419088276.db2.gz VCZXZTHPKAFSOI-ZNMIVQPWSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H](CCN[C@H]1CC[C@@H](C)SC1)[NH+]1CCCCC1 ZINC000655754690 419088278 /nfs/dbraw/zinc/08/82/78/419088278.db2.gz VCZXZTHPKAFSOI-ZNMIVQPWSA-N 1 3 270.486 3.125 20 0 CGADHO Cc1cccc(C[C@@H](NCC2([NH3+])CCCC2)C2CC2)c1 ZINC000665248008 419089840 /nfs/dbraw/zinc/08/98/40/419089840.db2.gz NKEFSCOZUADONS-QGZVFWFLSA-N 1 3 272.436 3.177 20 0 CGADHO NC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCCC1 ZINC000665247915 419089853 /nfs/dbraw/zinc/08/98/53/419089853.db2.gz LQNYRRSFCMAOFA-WBVHZDCISA-N 1 3 288.435 3.015 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000665274219 419098254 /nfs/dbraw/zinc/09/82/54/419098254.db2.gz LYTJQZCFLMHDTO-XOEAPDPESA-N 1 3 293.430 3.416 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CCC(F)(F)CC1 ZINC000653872090 419100275 /nfs/dbraw/zinc/10/02/75/419100275.db2.gz OPHPXUNNXUFQBP-TZMCWYRMSA-N 1 3 274.399 3.274 20 0 CGADHO CCC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000665281263 419102598 /nfs/dbraw/zinc/10/25/98/419102598.db2.gz YRYOAZYAFVANIH-SJORKVTESA-N 1 3 278.440 3.499 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000665283284 419103791 /nfs/dbraw/zinc/10/37/91/419103791.db2.gz KQHZTVOZVGJNMX-XYPHTWIQSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1CN ZINC000665283284 419103795 /nfs/dbraw/zinc/10/37/95/419103795.db2.gz KQHZTVOZVGJNMX-XYPHTWIQSA-N 1 3 258.409 3.089 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665282023 419103871 /nfs/dbraw/zinc/10/38/71/419103871.db2.gz PBVYIFFRVAZWCO-BSWAZPDLSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000665282023 419103874 /nfs/dbraw/zinc/10/38/74/419103874.db2.gz PBVYIFFRVAZWCO-BSWAZPDLSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000656197668 419148735 /nfs/dbraw/zinc/14/87/35/419148735.db2.gz WILZJZMZOLQWTP-JKSUJKDBSA-N 1 3 260.425 3.214 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@@H]1CCCCO1 ZINC000656202200 419149459 /nfs/dbraw/zinc/14/94/59/419149459.db2.gz ZYUKYOCOHSZGCE-NXOAAHMSSA-N 1 3 274.408 3.069 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000656201119 419150047 /nfs/dbraw/zinc/15/00/47/419150047.db2.gz KDSXYPZGMBNTNB-MAZHCROVSA-N 1 3 276.424 3.172 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656211583 419152290 /nfs/dbraw/zinc/15/22/90/419152290.db2.gz FYQBKWKHAXMNKU-GASCZTMLSA-N 1 3 283.419 3.026 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656493815 419178108 /nfs/dbraw/zinc/17/81/08/419178108.db2.gz ZXZALPRMDZRGRV-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+]CC2(N)CCCC2)s1 ZINC000656788483 419219714 /nfs/dbraw/zinc/21/97/14/419219714.db2.gz RHTVXSWOUMGOBX-UHFFFAOYSA-N 1 3 266.454 3.407 20 0 CGADHO C[C@@H](CNCC1([NH3+])CCCC1)c1cccc(Cl)c1 ZINC000656789160 419221083 /nfs/dbraw/zinc/22/10/83/419221083.db2.gz KSZUQEWKJWHWJP-LBPRGKRZSA-N 1 3 266.816 3.305 20 0 CGADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000656789531 419221517 /nfs/dbraw/zinc/22/15/17/419221517.db2.gz PQYBWNJIXYNJFH-IMJJTQAJSA-N 1 3 258.409 3.040 20 0 CGADHO CCC[C@H](CNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656789761 419221565 /nfs/dbraw/zinc/22/15/65/419221565.db2.gz XNTGBULHMHOTFF-MRXNPFEDSA-N 1 3 260.425 3.431 20 0 CGADHO c1cc(CN2CCC(C[NH2+]C3CCCCC3)CC2)ccn1 ZINC000657612023 419313256 /nfs/dbraw/zinc/31/32/56/419313256.db2.gz JAMIDTPNIQLMKJ-UHFFFAOYSA-N 1 3 287.451 3.216 20 0 CGADHO CCCc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000662208361 419361873 /nfs/dbraw/zinc/36/18/73/419361873.db2.gz VQMBCSGFFKTNBT-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO Fc1ccc(F)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657811802 419363981 /nfs/dbraw/zinc/36/39/81/419363981.db2.gz GXJBOSQMEBQEOE-UHFFFAOYSA-N 1 3 294.389 3.176 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCCSc1cccc(Cl)c1 ZINC000662247817 419373117 /nfs/dbraw/zinc/37/31/17/419373117.db2.gz LQXQOELVUOEARH-CQSZACIVSA-N 1 3 286.872 3.395 20 0 CGADHO CCC[N@H+](C[C@H](OC)C1CCCCC1)C1CCNCC1 ZINC000662264976 419377456 /nfs/dbraw/zinc/37/74/56/419377456.db2.gz SUCNTJRUICWKFB-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[N@@H+](C[C@H](OC)C1CCCCC1)C1CCNCC1 ZINC000662264976 419377461 /nfs/dbraw/zinc/37/74/61/419377461.db2.gz SUCNTJRUICWKFB-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@H](CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662275467 419383072 /nfs/dbraw/zinc/38/30/72/419383072.db2.gz CZQWPRVFMYXJSQ-FGTMMUONSA-N 1 3 294.483 3.046 20 0 CGADHO COc1cccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000662283891 419385281 /nfs/dbraw/zinc/38/52/81/419385281.db2.gz DGZOPXMXGBGVGK-CQSZACIVSA-N 1 3 296.414 3.192 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1cccc(-c2cccnc2)c1 ZINC000663497832 419636115 /nfs/dbraw/zinc/63/61/15/419636115.db2.gz GYXPREGXQGORHP-GOSISDBHSA-N 1 3 283.419 3.212 20 0 CGADHO C[C@H](CNc1nccc2[nH]ccc21)[N@@H+]1CCC[C@H](C)C1 ZINC000663389958 419587392 /nfs/dbraw/zinc/58/73/92/419587392.db2.gz ZZKYWDPIWPAMBW-QWHCGFSZSA-N 1 3 272.396 3.095 20 0 CGADHO C[C@H](CNc1nccc2[nH]ccc21)[N@H+]1CCC[C@H](C)C1 ZINC000663389958 419587401 /nfs/dbraw/zinc/58/74/01/419587401.db2.gz ZZKYWDPIWPAMBW-QWHCGFSZSA-N 1 3 272.396 3.095 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C(C)(C)O1 ZINC000663468819 419618575 /nfs/dbraw/zinc/61/85/75/419618575.db2.gz MWOYJXXHMAEHIK-HZPDHXFCSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468819 419618585 /nfs/dbraw/zinc/61/85/85/419618585.db2.gz MWOYJXXHMAEHIK-HZPDHXFCSA-N 1 3 294.483 3.044 20 0 CGADHO CC1(C)C[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C(C)(C)O1 ZINC000663468819 419618592 /nfs/dbraw/zinc/61/85/92/419618592.db2.gz MWOYJXXHMAEHIK-HZPDHXFCSA-N 1 3 294.483 3.044 20 0 CGADHO CCCC[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468857 419622193 /nfs/dbraw/zinc/62/21/93/419622193.db2.gz NBSWXPPKSVWXNQ-GDBMZVCRSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663469526 419625029 /nfs/dbraw/zinc/62/50/29/419625029.db2.gz QCFMYRIELZWCEJ-RHSMWYFYSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]1CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164688 419630325 /nfs/dbraw/zinc/63/03/25/419630325.db2.gz OHDSZOLPXAFQIM-ROUUACIJSA-N 1 3 287.451 3.072 20 0 CGADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000658237394 419693674 /nfs/dbraw/zinc/69/36/74/419693674.db2.gz ZRYNPCZKJARRDC-KBXCAEBGSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)c1ccc(CCNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663504292 419641357 /nfs/dbraw/zinc/64/13/57/419641357.db2.gz YLCJBWWPDJTSGY-QGZVFWFLSA-N 1 3 262.441 3.316 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000663504518 419641410 /nfs/dbraw/zinc/64/14/10/419641410.db2.gz ZMFBLXMBMGDEGT-ZQIUZPCESA-N 1 3 258.409 3.232 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041075251 270030167 /nfs/dbraw/zinc/03/01/67/270030167.db2.gz GUODJPKUIMXWDL-KRWDZBQOSA-N 1 3 260.425 3.459 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000044534828 270036307 /nfs/dbraw/zinc/03/63/07/270036307.db2.gz SHAGQVUDTPNONF-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535379 270036414 /nfs/dbraw/zinc/03/64/14/270036414.db2.gz CEODWPWPNURTDA-QWHCGFSZSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044535379 270036415 /nfs/dbraw/zinc/03/64/15/270036415.db2.gz CEODWPWPNURTDA-QWHCGFSZSA-N 1 3 266.816 3.332 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000044534826 270036873 /nfs/dbraw/zinc/03/68/73/270036873.db2.gz SHAGQVUDTPNONF-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1CC1 ZINC000092820922 270044244 /nfs/dbraw/zinc/04/42/44/270044244.db2.gz KMDPBEOBCZECNW-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1CC1 ZINC000092820922 270044245 /nfs/dbraw/zinc/04/42/45/270044245.db2.gz KMDPBEOBCZECNW-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO C1C[C@@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CCN2C1 ZINC000106868894 270049439 /nfs/dbraw/zinc/04/94/39/270049439.db2.gz VJOLCHNHPKZXQB-RFIAZXKJSA-N 1 3 274.452 3.028 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CC(F)(F)C1 ZINC000529547228 270183741 /nfs/dbraw/zinc/18/37/41/270183741.db2.gz WAQUUWQMBUTKKI-GFCCVEGCSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530215806 270195567 /nfs/dbraw/zinc/19/55/67/270195567.db2.gz JDRNFEQRSQUPEW-KURKYZTESA-N 1 3 284.447 3.371 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530217729 270196343 /nfs/dbraw/zinc/19/63/43/270196343.db2.gz HFLSRNBCLHBYAE-SJORKVTESA-N 1 3 290.426 3.267 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000530221242 270196408 /nfs/dbraw/zinc/19/64/08/270196408.db2.gz OMZDAZBLIVRBJQ-ISTVAULSSA-N 1 3 252.789 3.043 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517586 270200762 /nfs/dbraw/zinc/20/07/62/270200762.db2.gz DEGXIAXWMAGFKY-DLBZAZTESA-N 1 3 294.483 3.284 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000530517586 270200763 /nfs/dbraw/zinc/20/07/63/270200763.db2.gz DEGXIAXWMAGFKY-DLBZAZTESA-N 1 3 294.483 3.284 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309949 270223095 /nfs/dbraw/zinc/22/30/95/270223095.db2.gz LAYIEXDTEFEXGE-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309949 270223096 /nfs/dbraw/zinc/22/30/96/270223096.db2.gz LAYIEXDTEFEXGE-SJLPKXTDSA-N 1 3 274.452 3.342 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000422919400 274208683 /nfs/dbraw/zinc/20/86/83/274208683.db2.gz JUCBZETUINEQPC-KWQFWETISA-N 1 3 289.206 3.144 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423227467 274502934 /nfs/dbraw/zinc/50/29/34/274502934.db2.gz VXYPSJBDGOZPKL-DUVNUKRYSA-N 1 3 280.843 3.378 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCC12CCC2 ZINC000337514785 275997034 /nfs/dbraw/zinc/99/70/34/275997034.db2.gz LBHZBEYNRPAISO-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCC[C@H](C[N@H+](C)C1CCNCC1)c1ccccc1 ZINC000469988246 276042148 /nfs/dbraw/zinc/04/21/48/276042148.db2.gz AYOZHHLSSSWJEC-MRXNPFEDSA-N 1 3 260.425 3.254 20 0 CGADHO CCC[C@H](C[N@@H+](C)C1CCNCC1)c1ccccc1 ZINC000469988246 276042149 /nfs/dbraw/zinc/04/21/49/276042149.db2.gz AYOZHHLSSSWJEC-MRXNPFEDSA-N 1 3 260.425 3.254 20 0 CGADHO CCC[C@H](CN(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000469988246 276042151 /nfs/dbraw/zinc/04/21/51/276042151.db2.gz AYOZHHLSSSWJEC-MRXNPFEDSA-N 1 3 260.425 3.254 20 0 CGADHO CC1(C)SC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000374791535 276157896 /nfs/dbraw/zinc/15/78/96/276157896.db2.gz GUCRHWQPZZHBID-HNNXBMFYSA-N 1 3 282.497 3.267 20 0 CGADHO CCOCCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000422936497 276314390 /nfs/dbraw/zinc/31/43/90/276314390.db2.gz IJSUHTNUKQIVJH-IRXDYDNUSA-N 1 3 288.435 3.318 20 0 CGADHO CCS[C@@H]1CC[C@@H](N(C)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125298528 276398820 /nfs/dbraw/zinc/39/88/20/276398820.db2.gz FQEXQGKETLWJOH-RRFJBIMHSA-N 1 3 270.486 3.077 20 0 CGADHO CCS[C@@H]1CC[C@@H](N(C)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125298528 276398822 /nfs/dbraw/zinc/39/88/22/276398822.db2.gz FQEXQGKETLWJOH-RRFJBIMHSA-N 1 3 270.486 3.077 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@]2(CCSC2)C1 ZINC000334627023 277044389 /nfs/dbraw/zinc/04/43/89/277044389.db2.gz OGOYEDPTGKRHEW-HZPDHXFCSA-N 1 3 282.497 3.080 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@]2(CCSC2)C1 ZINC000334627023 277044390 /nfs/dbraw/zinc/04/43/90/277044390.db2.gz OGOYEDPTGKRHEW-HZPDHXFCSA-N 1 3 282.497 3.080 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@@]1(C)CCCc2ccccc21 ZINC000503052108 277062027 /nfs/dbraw/zinc/06/20/27/277062027.db2.gz JRZWHNJEGAAABS-AEFFLSMTSA-N 1 3 272.436 3.312 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@@]1(C)CCCc2ccccc21 ZINC000503052108 277062030 /nfs/dbraw/zinc/06/20/30/277062030.db2.gz JRZWHNJEGAAABS-AEFFLSMTSA-N 1 3 272.436 3.312 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@@H]2CCC[C@H]21 ZINC000423436694 277172268 /nfs/dbraw/zinc/17/22/68/277172268.db2.gz FPQJZIDHJHHKNR-YTQUADARSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCCN3)[C@@H]2CCC[C@H]21 ZINC000423436694 277172269 /nfs/dbraw/zinc/17/22/69/277172269.db2.gz FPQJZIDHJHHKNR-YTQUADARSA-N 1 3 299.462 3.007 20 0 CGADHO C[NH2+]C1CCN([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000335268248 277263310 /nfs/dbraw/zinc/26/33/10/277263310.db2.gz FARFOVYEIZYBQH-ROUUACIJSA-N 1 3 272.436 3.181 20 0 CGADHO CNC1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000335268248 277263311 /nfs/dbraw/zinc/26/33/11/277263311.db2.gz FARFOVYEIZYBQH-ROUUACIJSA-N 1 3 272.436 3.181 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767065 277303045 /nfs/dbraw/zinc/30/30/45/277303045.db2.gz GAOWNEWIZWZQNJ-HZPDHXFCSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767065 277303048 /nfs/dbraw/zinc/30/30/48/277303048.db2.gz GAOWNEWIZWZQNJ-HZPDHXFCSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767065 277303050 /nfs/dbraw/zinc/30/30/50/277303050.db2.gz GAOWNEWIZWZQNJ-HZPDHXFCSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)CN1CCCCC1 ZINC000037997559 277587385 /nfs/dbraw/zinc/58/73/85/277587385.db2.gz HTSFPURPAXBKFS-HOTGVXAUSA-N 1 3 250.430 3.054 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1ncc(C)s1 ZINC000394731009 288003447 /nfs/dbraw/zinc/00/34/47/288003447.db2.gz MYYGRFAGHZIAIK-LBPRGKRZSA-N 1 3 269.458 3.052 20 0 CGADHO Cc1cc(Br)ccc1C[NH2+]C[C@H](C)CN(C)C ZINC000395229840 288007535 /nfs/dbraw/zinc/00/75/35/288007535.db2.gz PGMDXQPWAAVGGN-NSHDSACASA-N 1 3 299.256 3.045 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccc(F)cc1Cl ZINC000422754679 278169586 /nfs/dbraw/zinc/16/95/86/278169586.db2.gz JWQJAJQBQOJDJC-NXEZZACHSA-N 1 3 258.768 3.257 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397258910 288022151 /nfs/dbraw/zinc/02/21/51/288022151.db2.gz JHEJDPZSKOSZAL-JMSVASOKSA-N 1 3 282.378 3.429 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000397287182 288022575 /nfs/dbraw/zinc/02/25/75/288022575.db2.gz VCFQPDSKNBXRPM-JKIFEVAISA-N 1 3 283.419 3.040 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)CN1CCCCC1 ZINC000397685932 288027316 /nfs/dbraw/zinc/02/73/16/288027316.db2.gz KANHGICEGHCCHZ-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000422787456 278275998 /nfs/dbraw/zinc/27/59/98/278275998.db2.gz MBYYUFJSPUGTPU-ZVDSWSACSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H](NCC1(C)CCC(OC)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423091109 288037026 /nfs/dbraw/zinc/03/70/26/288037026.db2.gz ZJPGJXUXVRPMBY-YZUHTNEWSA-N 1 3 282.472 3.092 20 0 CGADHO C[C@@H](NC[C@@H]1CCCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423127592 278350405 /nfs/dbraw/zinc/35/04/05/278350405.db2.gz JSNXGUQYXRCQRI-MGPQQGTHSA-N 1 3 274.399 3.322 20 0 CGADHO CC[C@H](NCCCC[NH3+])c1ccccc1Br ZINC000423335965 288039414 /nfs/dbraw/zinc/03/94/14/288039414.db2.gz UKZNKXQVVYKSRH-ZDUSSCGKSA-N 1 3 285.229 3.229 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000423368024 279027205 /nfs/dbraw/zinc/02/72/05/279027205.db2.gz MUTSKZQVJAGKSZ-VGWMRTNUSA-N 1 3 252.446 3.451 20 0 CGADHO CN1CCC2(CCC[N@@H+]2CCc2ccc(Cl)cc2)CC1 ZINC000459514308 288095658 /nfs/dbraw/zinc/09/56/58/288095658.db2.gz OSYIFVOGAKMOKS-UHFFFAOYSA-N 1 3 292.854 3.443 20 0 CGADHO CN1CCC2(CCC[N@H+]2CCc2ccc(Cl)cc2)CC1 ZINC000459514308 288095659 /nfs/dbraw/zinc/09/56/59/288095659.db2.gz OSYIFVOGAKMOKS-UHFFFAOYSA-N 1 3 292.854 3.443 20 0 CGADHO Clc1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000335502789 279293189 /nfs/dbraw/zinc/29/31/89/279293189.db2.gz ZLHRMYIRSWWYMX-OAHLLOKOSA-N 1 3 292.810 3.063 20 0 CGADHO C[C@H](CN)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423333222 279297917 /nfs/dbraw/zinc/29/79/17/279297917.db2.gz RFHWAFONEOASOQ-BXKDBHETSA-N 1 3 270.829 3.204 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000521899457 288142954 /nfs/dbraw/zinc/14/29/54/288142954.db2.gz XFJDIQSPJKDXBW-KSYCFECVSA-N 1 3 296.842 3.276 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843184 279650426 /nfs/dbraw/zinc/65/04/26/279650426.db2.gz HHQWEPRIVBYCFD-RHSMWYFYSA-N 1 3 290.426 3.355 20 0 CGADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000423052696 279699444 /nfs/dbraw/zinc/69/94/44/279699444.db2.gz RBHZKDUHFQFIBU-JZAWBGDQSA-N 1 3 294.483 3.089 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)CC3 ZINC000333156835 281035504 /nfs/dbraw/zinc/03/55/04/281035504.db2.gz NDFANRZPQLZHBL-RBSFLKMASA-N 1 3 297.446 3.193 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)CC3 ZINC000333156837 281035509 /nfs/dbraw/zinc/03/55/09/281035509.db2.gz NDFANRZPQLZHBL-RRFJBIMHSA-N 1 3 297.446 3.193 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CCC[NH2+][C@H]1C)CC3 ZINC000414936409 281036540 /nfs/dbraw/zinc/03/65/40/281036540.db2.gz CTAIVKPRJJQSAL-VBQJREDUSA-N 1 3 297.446 3.064 20 0 CGADHO CCC1(C)CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530177806 288294809 /nfs/dbraw/zinc/29/48/09/288294809.db2.gz HXDYBHXADQZIBZ-SHARSMKWSA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000530179989 288296633 /nfs/dbraw/zinc/29/66/33/288296633.db2.gz ZJMCYTHWMWVKJW-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000532198146 288354779 /nfs/dbraw/zinc/35/47/79/288354779.db2.gz GRKXFGIWIVDEAV-DLBZAZTESA-N 1 3 260.425 3.417 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000422954942 281893709 /nfs/dbraw/zinc/89/37/09/281893709.db2.gz IPWVDVVKMYEQBS-PTAUBWNISA-N 1 3 295.430 3.433 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000550621116 289079171 /nfs/dbraw/zinc/07/91/71/289079171.db2.gz CLKWRFZJIMSLMC-JKSUJKDBSA-N 1 3 264.457 3.421 20 0 CGADHO CC(C)=CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551176800 289100795 /nfs/dbraw/zinc/10/07/95/289100795.db2.gz FVDMZILAUQAXBK-IRXDYDNUSA-N 1 3 258.409 3.378 20 0 CGADHO CC(C)=CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551176800 289100796 /nfs/dbraw/zinc/10/07/96/289100796.db2.gz FVDMZILAUQAXBK-IRXDYDNUSA-N 1 3 258.409 3.378 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000551309492 289110755 /nfs/dbraw/zinc/11/07/55/289110755.db2.gz UWXHHIHWECVUMS-XOYOTBSWSA-N 1 3 290.426 3.377 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000552281253 289177847 /nfs/dbraw/zinc/17/78/47/289177847.db2.gz NWQZOQJOBAOPSK-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000552281253 289177848 /nfs/dbraw/zinc/17/78/48/289177848.db2.gz NWQZOQJOBAOPSK-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CN(C)Cc1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000553457282 289225067 /nfs/dbraw/zinc/22/50/67/289225067.db2.gz NUOGTJNRTYOMHT-UHFFFAOYSA-N 1 3 294.442 3.253 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000554657989 289298614 /nfs/dbraw/zinc/29/86/14/289298614.db2.gz MOOWNBLNOPBGST-GVDBMIGSSA-N 1 3 258.409 3.026 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338778923 289308784 /nfs/dbraw/zinc/30/87/84/289308784.db2.gz FUGYJKGNHYYSNU-JKSUJKDBSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424369696 289728720 /nfs/dbraw/zinc/72/87/20/289728720.db2.gz CBXVKUFDPHEZBG-SYAUCNOPSA-N 1 3 250.430 3.075 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2ncc(-c3ccccc3)s2)C1 ZINC000562748093 289732307 /nfs/dbraw/zinc/73/23/07/289732307.db2.gz NKQRYRURMOTVQV-OCCSQVGLSA-N 1 3 287.432 3.027 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000342588278 290003084 /nfs/dbraw/zinc/00/30/84/290003084.db2.gz CUTLZSFYWVWPIY-OFQRWUPVSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](N[C@H]1CC(C)(C)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000422994171 290039503 /nfs/dbraw/zinc/03/95/03/290039503.db2.gz USRRENNXOPMLTG-VBQJREDUSA-N 1 3 272.436 3.387 20 0 CGADHO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)[C@@H]1CCCNC1 ZINC000422994171 290039506 /nfs/dbraw/zinc/03/95/06/290039506.db2.gz USRRENNXOPMLTG-VBQJREDUSA-N 1 3 272.436 3.387 20 0 CGADHO COC[C@H](CC(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000484491159 293090714 /nfs/dbraw/zinc/09/07/14/293090714.db2.gz RKJIDSCHSHWORB-KRWDZBQOSA-N 1 3 296.499 3.434 20 0 CGADHO COC[C@H](CC(C)C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484491159 293090719 /nfs/dbraw/zinc/09/07/19/293090719.db2.gz RKJIDSCHSHWORB-KRWDZBQOSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000422836224 293260877 /nfs/dbraw/zinc/26/08/77/293260877.db2.gz JQCKIYPUGIJUBY-IUODEOHRSA-N 1 3 261.413 3.078 20 0 CGADHO COc1ccc(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000036961220 295109222 /nfs/dbraw/zinc/10/92/22/295109222.db2.gz QTNBSNOMEBKZGT-HNSVSWJLSA-N 1 3 288.435 3.279 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000226352407 295250902 /nfs/dbraw/zinc/25/09/02/295250902.db2.gz TUGYYYVCOZOPJJ-CMPLNLGQSA-N 1 3 272.845 3.051 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422804466 295251032 /nfs/dbraw/zinc/25/10/32/295251032.db2.gz KUTBAGRICGQPFR-LZLYRXPVSA-N 1 3 272.436 3.214 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424387851 295251309 /nfs/dbraw/zinc/25/13/09/295251309.db2.gz YVOZYRXLGSHGJU-CAOSSQGBSA-N 1 3 250.430 3.062 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423132036 295270720 /nfs/dbraw/zinc/27/07/20/295270720.db2.gz ISSRTRJTUKRCKM-HIFRSBDPSA-N 1 3 274.433 3.161 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1cc2ccccc2s1 ZINC000423132036 295270723 /nfs/dbraw/zinc/27/07/23/295270723.db2.gz ISSRTRJTUKRCKM-HIFRSBDPSA-N 1 3 274.433 3.161 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC1 ZINC000423385922 302102932 /nfs/dbraw/zinc/10/29/32/302102932.db2.gz RKVCILPKBKSMIB-JLSDUUJJSA-N 1 3 272.436 3.046 20 0 CGADHO FC(F)(F)c1cccc([C@@H]([NH2+][C@@H]2CCCNC2)C2CC2)c1 ZINC000423185418 303118840 /nfs/dbraw/zinc/11/88/40/303118840.db2.gz JHWWXVISHRDFKA-CABCVRRESA-N 1 3 298.352 3.498 20 0 CGADHO NC1(C[NH2+][C@@H]2CCC23CCCC3)C2CC3CC(C2)CC1C3 ZINC000423530330 303359858 /nfs/dbraw/zinc/35/98/58/303359858.db2.gz RBMSPCSNWUDVCX-CMPFZWEDSA-N 1 3 288.479 3.452 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422821746 303406733 /nfs/dbraw/zinc/40/67/33/303406733.db2.gz YFMIJKOFBXQSRO-CYDGBPFRSA-N 1 3 278.362 3.072 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000582116256 327876702 /nfs/dbraw/zinc/87/67/02/327876702.db2.gz KWDADBSBOGZVGQ-QAPCUYQASA-N 1 3 290.451 3.219 20 0 CGADHO CCCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000152216340 321695376 /nfs/dbraw/zinc/69/53/76/321695376.db2.gz DZAIVQDZZJWXJC-OAHLLOKOSA-N 1 3 278.440 3.468 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000563880379 322014003 /nfs/dbraw/zinc/01/40/03/322014003.db2.gz HENFUIXSFMLSMH-RYUDHWBXSA-N 1 3 289.448 3.192 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2sccc2OC)CC1 ZINC000564751756 322041432 /nfs/dbraw/zinc/04/14/32/322041432.db2.gz AWHWHUWHZMALFC-GFCCVEGCSA-N 1 3 282.453 3.139 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000564791876 322043061 /nfs/dbraw/zinc/04/30/61/322043061.db2.gz SLWWVCNCMZTRIZ-SJORKVTESA-N 1 3 260.425 3.086 20 0 CGADHO CCNCCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000564791876 322043064 /nfs/dbraw/zinc/04/30/64/322043064.db2.gz SLWWVCNCMZTRIZ-SJORKVTESA-N 1 3 260.425 3.086 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000564973567 322052321 /nfs/dbraw/zinc/05/23/21/322052321.db2.gz LSDAUTQGUVAPMG-ROUUACIJSA-N 1 3 292.442 3.324 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000565226574 322067837 /nfs/dbraw/zinc/06/78/37/322067837.db2.gz OGIIIOUUJNFWOD-LSDHHAIUSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226574 322067839 /nfs/dbraw/zinc/06/78/39/322067839.db2.gz OGIIIOUUJNFWOD-LSDHHAIUSA-N 1 3 260.425 3.132 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000565742384 322089259 /nfs/dbraw/zinc/08/92/59/322089259.db2.gz BKJQJHFMPDWSKM-BHIYHBOVSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000565742384 322089260 /nfs/dbraw/zinc/08/92/60/322089260.db2.gz BKJQJHFMPDWSKM-BHIYHBOVSA-N 1 3 286.463 3.281 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]CCCNC(C)C)c1 ZINC000566088250 322103650 /nfs/dbraw/zinc/10/36/50/322103650.db2.gz DJSSCSVZRXQCKP-INIZCTEOSA-N 1 3 262.441 3.294 20 0 CGADHO Cc1cccc(CC[C@H](C)NCCC[NH2+]C(C)C)c1 ZINC000566088250 322103647 /nfs/dbraw/zinc/10/36/47/322103647.db2.gz DJSSCSVZRXQCKP-INIZCTEOSA-N 1 3 262.441 3.294 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000566089571 322103987 /nfs/dbraw/zinc/10/39/87/322103987.db2.gz QNCWTCXWMNYNRV-LCGIIJARSA-N 1 3 287.451 3.468 20 0 CGADHO CC(C)C[C@H](CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000566229876 322110540 /nfs/dbraw/zinc/11/05/40/322110540.db2.gz QZCLAGILAWSCIL-GUDVDZBRSA-N 1 3 286.463 3.358 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000567613627 322170344 /nfs/dbraw/zinc/17/03/44/322170344.db2.gz FVTXDULZMUGAIO-KRWDZBQOSA-N 1 3 282.387 3.149 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](CN)CC(C)C ZINC000567639141 322171880 /nfs/dbraw/zinc/17/18/80/322171880.db2.gz YJIXEFLHYCTISR-KGLIPLIRSA-N 1 3 264.413 3.028 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](CC1CC1)c1ccccc1 ZINC000569713232 322255135 /nfs/dbraw/zinc/25/51/35/322255135.db2.gz UVVXGYBDSCRZHL-XOKHGSTOSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000569713232 322255136 /nfs/dbraw/zinc/25/51/36/322255136.db2.gz UVVXGYBDSCRZHL-XOKHGSTOSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271898 322269471 /nfs/dbraw/zinc/26/94/71/322269471.db2.gz NHGUZYJSWMDXQM-ACJLOTCBSA-N 1 3 281.403 3.137 20 0 CGADHO CC(C)c1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000572224058 322325572 /nfs/dbraw/zinc/32/55/72/322325572.db2.gz GKNUNWAUMYLODL-QGZVFWFLSA-N 1 3 260.425 3.084 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000572224058 322325575 /nfs/dbraw/zinc/32/55/75/322325575.db2.gz GKNUNWAUMYLODL-QGZVFWFLSA-N 1 3 260.425 3.084 20 0 CGADHO CCC[C@H](Cc1ccccc1)NCCC[NH2+]C(C)C ZINC000572234366 322326599 /nfs/dbraw/zinc/32/65/99/322326599.db2.gz WVLCWECDTDDNHC-QGZVFWFLSA-N 1 3 262.441 3.376 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]CCCNC(C)C ZINC000572234366 322326602 /nfs/dbraw/zinc/32/66/02/322326602.db2.gz WVLCWECDTDDNHC-QGZVFWFLSA-N 1 3 262.441 3.376 20 0 CGADHO Cc1cnc([C@H](C)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)s1 ZINC000573108109 322370994 /nfs/dbraw/zinc/37/09/94/322370994.db2.gz FITZMHXCAREISK-KMUNFCNLSA-N 1 3 287.432 3.289 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000573178544 322374174 /nfs/dbraw/zinc/37/41/74/322374174.db2.gz QNUSIAXDNHPEFI-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1C ZINC000573385825 322385683 /nfs/dbraw/zinc/38/56/83/322385683.db2.gz KEERVZXBOQSLEJ-HRCADAONSA-N 1 3 276.424 3.012 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)CCc1ccccc1F ZINC000575172876 322476936 /nfs/dbraw/zinc/47/69/36/322476936.db2.gz PYFBHUICJIPKTR-CQSZACIVSA-N 1 3 266.404 3.125 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000583333476 326807097 /nfs/dbraw/zinc/80/70/97/326807097.db2.gz QPMZTXJWVRNGIG-CQSZACIVSA-N 1 3 290.451 3.466 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CCCC1 ZINC000395688356 329294474 /nfs/dbraw/zinc/29/44/74/329294474.db2.gz YQEGTUCXWOUDJZ-ZBFHGGJFSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C1([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000576093995 335152417 /nfs/dbraw/zinc/15/24/17/335152417.db2.gz IGNPXHQZHWLCNV-OAHLLOKOSA-N 1 3 290.451 3.466 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2cccn2C)CC1 ZINC000180791913 335624349 /nfs/dbraw/zinc/62/43/49/335624349.db2.gz SEYJAFJDFIQZCF-UHFFFAOYSA-N 1 3 291.483 3.359 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CCCNC1 ZINC000581191145 336021939 /nfs/dbraw/zinc/02/19/39/336021939.db2.gz MLRPKSBGDUOAMV-WMZOPIPTSA-N 1 3 292.442 3.324 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCNC1 ZINC000581191145 336021941 /nfs/dbraw/zinc/02/19/41/336021941.db2.gz MLRPKSBGDUOAMV-WMZOPIPTSA-N 1 3 292.442 3.324 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1C ZINC000581397224 336068205 /nfs/dbraw/zinc/06/82/05/336068205.db2.gz MBIOUYOLWWRBSH-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1C ZINC000581397224 336068207 /nfs/dbraw/zinc/06/82/07/336068207.db2.gz MBIOUYOLWWRBSH-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1CC2CCC1CC2 ZINC000382159857 336083152 /nfs/dbraw/zinc/08/31/52/336083152.db2.gz PAQXTXJYWGYGSN-HOCIEZSPSA-N 1 3 250.430 3.061 20 0 CGADHO C[C@H](CC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000384483875 336124917 /nfs/dbraw/zinc/12/49/17/336124917.db2.gz CEPDLZWBODUWRM-CQSZACIVSA-N 1 3 275.440 3.465 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCCF)C2)s1 ZINC000581946922 336174782 /nfs/dbraw/zinc/17/47/82/336174782.db2.gz HLGYPJMXGQJRNP-CQSZACIVSA-N 1 3 284.444 3.170 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCCF)C2)s1 ZINC000581946922 336174783 /nfs/dbraw/zinc/17/47/83/336174783.db2.gz HLGYPJMXGQJRNP-CQSZACIVSA-N 1 3 284.444 3.170 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000582003226 336188959 /nfs/dbraw/zinc/18/89/59/336188959.db2.gz BEXWJWZNHYXFRC-RBUKOAKNSA-N 1 3 294.442 3.314 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423308500 533774176 /nfs/dbraw/zinc/77/41/76/533774176.db2.gz OMYOOFFEGDOYHR-XHDPSFHLSA-N 1 3 266.816 3.366 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322296 533846732 /nfs/dbraw/zinc/84/67/32/533846732.db2.gz MPDIBNJHLRRIFC-SOUVJXGZSA-N 1 3 278.465 3.316 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449359446 533960159 /nfs/dbraw/zinc/96/01/59/533960159.db2.gz QGTMXWKKOGYBCW-BQFCYCMXSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000423357138 533991156 /nfs/dbraw/zinc/99/11/56/533991156.db2.gz HUYCBRORYJDNNY-COPLHBTASA-N 1 3 286.341 3.354 20 0 CGADHO C[C@@H](Cc1ccoc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083065 534259078 /nfs/dbraw/zinc/25/90/78/534259078.db2.gz RUUQPVSRVLVVBK-XHSDSOJGSA-N 1 3 278.440 3.168 20 0 CGADHO C[C@@H](Cc1ccoc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083065 534259081 /nfs/dbraw/zinc/25/90/81/534259081.db2.gz RUUQPVSRVLVVBK-XHSDSOJGSA-N 1 3 278.440 3.168 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000449083065 534259086 /nfs/dbraw/zinc/25/90/86/534259086.db2.gz RUUQPVSRVLVVBK-XHSDSOJGSA-N 1 3 278.440 3.168 20 0 CGADHO CCCCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746667250 572889689 /nfs/dbraw/zinc/88/96/89/572889689.db2.gz FMEUZLKXBLVWIE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000746667250 572889694 /nfs/dbraw/zinc/88/96/94/572889694.db2.gz FMEUZLKXBLVWIE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCCCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000746667250 572889699 /nfs/dbraw/zinc/88/96/99/572889699.db2.gz FMEUZLKXBLVWIE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCCCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000746667250 572889705 /nfs/dbraw/zinc/88/97/05/572889705.db2.gz FMEUZLKXBLVWIE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054972 534447805 /nfs/dbraw/zinc/44/78/05/534447805.db2.gz BIJOWRVEUMPBEW-GLJUWKHASA-N 1 3 283.419 3.053 20 0 CGADHO [NH3+]CCCCN[C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423332149 534606535 /nfs/dbraw/zinc/60/65/35/534606535.db2.gz QQBJEQMLIAHDNQ-SFHVURJKSA-N 1 3 295.386 3.246 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215201 522360072 /nfs/dbraw/zinc/36/00/72/522360072.db2.gz LUYBSVOYKYWJAU-CABCVRRESA-N 1 3 275.440 3.322 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000049554229 524168525 /nfs/dbraw/zinc/16/85/25/524168525.db2.gz YXVNSVDDKWTOOF-BXUZGUMPSA-N 1 3 282.428 3.292 20 0 CGADHO CC(C)(C)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000037786335 526287363 /nfs/dbraw/zinc/28/73/63/526287363.db2.gz TYKCTGPBOMTCGF-UHFFFAOYSA-N 1 3 252.427 3.101 20 0 CGADHO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC000414787852 526723366 /nfs/dbraw/zinc/72/33/66/526723366.db2.gz LSUCLMJNPIBYKF-UONOGXRCSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(N)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423281369 527257036 /nfs/dbraw/zinc/25/70/36/527257036.db2.gz BDCWFYJJDAGLBR-KRWDZBQOSA-N 1 3 268.404 3.297 20 0 CGADHO CC(C)(N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423282974 527257511 /nfs/dbraw/zinc/25/75/11/527257511.db2.gz DQSMFUOOLVHTJT-CYBMUJFWSA-N 1 3 252.789 3.118 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000449246247 527828577 /nfs/dbraw/zinc/82/85/77/527828577.db2.gz DAWVPDFLQZOBME-WBVHZDCISA-N 1 3 264.457 3.443 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354848403 527835558 /nfs/dbraw/zinc/83/55/58/527835558.db2.gz KXCKRVYWYDXWTQ-INIZCTEOSA-N 1 3 284.488 3.245 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354848403 527835566 /nfs/dbraw/zinc/83/55/66/527835566.db2.gz KXCKRVYWYDXWTQ-INIZCTEOSA-N 1 3 284.488 3.245 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354848403 527835574 /nfs/dbraw/zinc/83/55/74/527835574.db2.gz KXCKRVYWYDXWTQ-INIZCTEOSA-N 1 3 284.488 3.245 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354848403 527835578 /nfs/dbraw/zinc/83/55/78/527835578.db2.gz KXCKRVYWYDXWTQ-INIZCTEOSA-N 1 3 284.488 3.245 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000423372574 527875401 /nfs/dbraw/zinc/87/54/01/527875401.db2.gz RDIOTBYMXPQFKX-MUIFIZLQSA-N 1 3 288.435 3.092 20 0 CGADHO CCC[C@H](CN1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427119205 528132029 /nfs/dbraw/zinc/13/20/29/528132029.db2.gz GUWKGIXFWKQRPW-FGTMMUONSA-N 1 3 272.436 3.254 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000449090876 528261076 /nfs/dbraw/zinc/26/10/76/528261076.db2.gz HWNSQMFUIFCJKP-HWOWSKLDSA-N 1 3 284.513 3.230 20 0 CGADHO CC[NH2+]CC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000131490398 528289703 /nfs/dbraw/zinc/28/97/03/528289703.db2.gz OKDNOTYJTMNOTR-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO CC(C)[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414170678 528587937 /nfs/dbraw/zinc/58/79/37/528587937.db2.gz CCGDHDYOPQBROE-WMLDXEAASA-N 1 3 293.430 3.239 20 0 CGADHO CC(C)[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170678 528587941 /nfs/dbraw/zinc/58/79/41/528587941.db2.gz CCGDHDYOPQBROE-WMLDXEAASA-N 1 3 293.430 3.239 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367590721 528656527 /nfs/dbraw/zinc/65/65/27/528656527.db2.gz VTBYDAMALSHEMT-KURKYZTESA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367590721 528656532 /nfs/dbraw/zinc/65/65/32/528656532.db2.gz VTBYDAMALSHEMT-KURKYZTESA-N 1 3 288.435 3.048 20 0 CGADHO CCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000367590721 528656535 /nfs/dbraw/zinc/65/65/35/528656535.db2.gz VTBYDAMALSHEMT-KURKYZTESA-N 1 3 288.435 3.048 20 0 CGADHO CCCCOc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423315256 528689611 /nfs/dbraw/zinc/68/96/11/528689611.db2.gz ZJDMCSXJJQYQHT-ZIAGYGMSSA-N 1 3 264.413 3.111 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423332035 528691431 /nfs/dbraw/zinc/69/14/31/528691431.db2.gz QMUJODMFYMYQTE-AWEZNQCLSA-N 1 3 276.424 3.398 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423283282 528951687 /nfs/dbraw/zinc/95/16/87/528951687.db2.gz FDVKQVOVMSWUDM-HZPDHXFCSA-N 1 3 260.425 3.430 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000423286495 528951987 /nfs/dbraw/zinc/95/19/87/528951987.db2.gz HQPLCFFYZMXEFD-INIZCTEOSA-N 1 3 260.425 3.115 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423288882 528955005 /nfs/dbraw/zinc/95/50/05/528955005.db2.gz VOBXBRRHRXKNHG-AWEZNQCLSA-N 1 3 266.816 3.434 20 0 CGADHO CC[NH+]1CCC(CCNCc2ccc(C)cc2OC)CC1 ZINC000449167751 528968936 /nfs/dbraw/zinc/96/89/36/528968936.db2.gz KXZLYPFJFAWQCT-UHFFFAOYSA-N 1 3 290.451 3.215 20 0 CGADHO CC[NH+]1CCC(NCc2cccc3ccoc32)CC1 ZINC000449063573 528987087 /nfs/dbraw/zinc/98/70/87/528987087.db2.gz MYMVHBSDIXKKGZ-UHFFFAOYSA-N 1 3 258.365 3.007 20 0 CGADHO CCC1(CC)CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000423074774 529039391 /nfs/dbraw/zinc/03/93/91/529039391.db2.gz VFPGBZSCGICCPA-FVQBIDKESA-N 1 3 282.472 3.077 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261520 529070484 /nfs/dbraw/zinc/07/04/84/529070484.db2.gz JZMLHQCKRFSASI-GXFFZTMASA-N 1 3 274.330 3.339 20 0 CGADHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc(OC)cc1 ZINC000423287274 529156060 /nfs/dbraw/zinc/15/60/60/529156060.db2.gz LEYBJMKGNWWZAC-OAHLLOKOSA-N 1 3 264.413 3.253 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(OC(F)F)cc1 ZINC000423332272 529157466 /nfs/dbraw/zinc/15/74/66/529157466.db2.gz QRDFRGQYXWYBIA-CYBMUJFWSA-N 1 3 284.350 3.210 20 0 CGADHO CC[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1OC ZINC000414172519 529168366 /nfs/dbraw/zinc/16/83/66/529168366.db2.gz FJYGDUYSPAOEAU-NVXWUHKLSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172519 529168368 /nfs/dbraw/zinc/16/83/68/529168368.db2.gz FJYGDUYSPAOEAU-NVXWUHKLSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc(OC(F)F)cc1 ZINC000423283709 529178512 /nfs/dbraw/zinc/17/85/12/529178512.db2.gz XIXVEXOUPJHRFY-UONOGXRCSA-N 1 3 286.366 3.312 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000727469584 571750141 /nfs/dbraw/zinc/75/01/41/571750141.db2.gz ZUGIQYUZXIEVLX-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1CC[NH+](C)CC1 ZINC000396446140 572485251 /nfs/dbraw/zinc/48/52/51/572485251.db2.gz POCWRURLKUANGV-DVOMOZLQSA-N 1 3 276.424 3.223 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166389009 572814550 /nfs/dbraw/zinc/81/45/50/572814550.db2.gz RBZLKMOKODUTNZ-QZTJIDSGSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166389009 572814557 /nfs/dbraw/zinc/81/45/57/572814557.db2.gz RBZLKMOKODUTNZ-QZTJIDSGSA-N 1 3 286.463 3.489 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000261578986 618088925 /nfs/dbraw/zinc/08/89/25/618088925.db2.gz PHHRTSMIRWTPSB-RBSFLKMASA-N 1 3 252.446 3.181 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261652198 618107173 /nfs/dbraw/zinc/10/71/73/618107173.db2.gz BCCLBRCPVBKJSM-DGCLKSJQSA-N 1 3 286.341 3.183 20 0 CGADHO Cc1cc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000926502215 618713644 /nfs/dbraw/zinc/71/36/44/618713644.db2.gz DAVATLCARPJVBC-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000924527968 618776396 /nfs/dbraw/zinc/77/63/96/618776396.db2.gz XURLJLMRRCQDMD-MRXNPFEDSA-N 1 3 275.440 3.100 20 0 CGADHO Cc1nc(CNCCCC[N@H+]2CCC[C@H](C)C2)sc1C ZINC000892584337 618867577 /nfs/dbraw/zinc/86/75/77/618867577.db2.gz JEOVGXFMWUZQSC-ZDUSSCGKSA-N 1 3 295.496 3.362 20 0 CGADHO Cc1nc(CNCCCC[N@@H+]2CCC[C@H](C)C2)sc1C ZINC000892584337 618867578 /nfs/dbraw/zinc/86/75/78/618867578.db2.gz JEOVGXFMWUZQSC-ZDUSSCGKSA-N 1 3 295.496 3.362 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCCS1 ZINC000925553928 619053635 /nfs/dbraw/zinc/05/36/35/619053635.db2.gz WGIWNKBVDAYUMJ-OWCLPIDISA-N 1 3 282.497 3.030 20 0 CGADHO COc1ccc([C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C2CC2)cc1 ZINC000925582255 619072838 /nfs/dbraw/zinc/07/28/38/619072838.db2.gz DNXKNLWXCLNWKG-GVDBMIGSSA-N 1 3 286.419 3.006 20 0 CGADHO C1CC12CCC([NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC2 ZINC000925651462 619109146 /nfs/dbraw/zinc/10/91/46/619109146.db2.gz DCKFBAYRLUIRHE-IRXDYDNUSA-N 1 3 276.468 3.467 20 0 CGADHO CC1(C)[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925661487 619116900 /nfs/dbraw/zinc/11/69/00/619116900.db2.gz VGUSNWSYLXIDIE-HZSPNIEDSA-N 1 3 286.410 3.178 20 0 CGADHO Cc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)nc1C ZINC000925693977 619142871 /nfs/dbraw/zinc/14/28/71/619142871.db2.gz NTHSGJPFJDXOJF-SFHVURJKSA-N 1 3 283.419 3.268 20 0 CGADHO C[C@H](CCc1ccccc1)N1CCC(C)([NH+](C)C)CC1 ZINC000931350417 619150550 /nfs/dbraw/zinc/15/05/50/619150550.db2.gz JNEOQUAKMFGTPG-MRXNPFEDSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@H](CCc1ccccc1)[NH+]1CCC(C)(N(C)C)CC1 ZINC000931350417 619150552 /nfs/dbraw/zinc/15/05/52/619150552.db2.gz JNEOQUAKMFGTPG-MRXNPFEDSA-N 1 3 274.452 3.424 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000925736303 619210545 /nfs/dbraw/zinc/21/05/45/619210545.db2.gz LSKNLGAXOCPXQB-MQYQWHSLSA-N 1 3 286.410 3.178 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924961472 619462762 /nfs/dbraw/zinc/46/27/62/619462762.db2.gz WEXLYQSPFKPNRO-OAHLLOKOSA-N 1 3 264.457 3.419 20 0 CGADHO CCc1onc(C)c1CNCCC1CC[NH+](C(C)C)CC1 ZINC000895765719 619882533 /nfs/dbraw/zinc/88/25/33/619882533.db2.gz RAISXOYGAFGNOJ-UHFFFAOYSA-N 1 3 293.455 3.146 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000925266787 620296853 /nfs/dbraw/zinc/29/68/53/620296853.db2.gz GHYRBRUICYDGKK-INIZCTEOSA-N 1 3 284.513 3.372 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000897500282 620355063 /nfs/dbraw/zinc/35/50/63/620355063.db2.gz DPCQYIHKMRKVJX-QZTJIDSGSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC(C)(C)O2)CC1 ZINC000898049022 620464580 /nfs/dbraw/zinc/46/45/80/620464580.db2.gz URYLPIFQNUXMRD-OAHLLOKOSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902466278 621338172 /nfs/dbraw/zinc/33/81/72/621338172.db2.gz MFDYJHKJKWVLGY-HTXLXMOSSA-N 1 3 296.867 3.376 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)cc1 ZINC000902471790 621342383 /nfs/dbraw/zinc/34/23/83/621342383.db2.gz SOAJTFSLHTWSNZ-QXDIGNSFSA-N 1 3 270.420 3.114 20 0 CGADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CCOCC1 ZINC000902833141 621465729 /nfs/dbraw/zinc/46/57/29/621465729.db2.gz WQTUPRQEECLATD-BZSNNMDCSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903126721 621590705 /nfs/dbraw/zinc/59/07/05/621590705.db2.gz UQBIWGDWRQFKHA-DLBZAZTESA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccsc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903130887 621592557 /nfs/dbraw/zinc/59/25/57/621592557.db2.gz FPKVOEWERNDECD-VHRNVKJDSA-N 1 3 290.476 3.346 20 0 CGADHO Cc1ccsc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903130887 621592562 /nfs/dbraw/zinc/59/25/62/621592562.db2.gz FPKVOEWERNDECD-VHRNVKJDSA-N 1 3 290.476 3.346 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCN(C2CCC2)C1 ZINC000903147721 621610324 /nfs/dbraw/zinc/61/03/24/621610324.db2.gz MULQKCVOURPMFD-UXDQUXDASA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1C[C@@H]1C ZINC000903377296 621721503 /nfs/dbraw/zinc/72/15/03/621721503.db2.gz KEPRBDGUTMYWCR-PQEBFOHHSA-N 1 3 275.440 3.099 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCSC[C@H]1c1ccccc1 ZINC000903481765 621764935 /nfs/dbraw/zinc/76/49/35/621764935.db2.gz MCJMFQOZOOBHCW-PVAVHDDUSA-N 1 3 290.476 3.022 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](N)CC(F)F ZINC000903883026 621825921 /nfs/dbraw/zinc/82/59/21/621825921.db2.gz DLWCOSGJAYGIDX-TZMCWYRMSA-N 1 3 268.351 3.114 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](N)CC(F)F ZINC000903883026 621825924 /nfs/dbraw/zinc/82/59/24/621825924.db2.gz DLWCOSGJAYGIDX-TZMCWYRMSA-N 1 3 268.351 3.114 20 0 CGADHO c1ccc2c(CN3CCCC[C@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000903959619 621836815 /nfs/dbraw/zinc/83/68/15/621836815.db2.gz LAOOHXRNOWBROP-LJQANCHMSA-N 1 3 295.430 3.200 20 0 CGADHO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904322049 621905721 /nfs/dbraw/zinc/90/57/21/621905721.db2.gz NINDYLDMWGDDGB-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@]1(C)CCCNC1 ZINC000904322049 621905725 /nfs/dbraw/zinc/90/57/25/621905725.db2.gz NINDYLDMWGDDGB-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(C)o1 ZINC000152679481 623700830 /nfs/dbraw/zinc/70/08/30/623700830.db2.gz NNLAZPNBQNVUMX-UHFFFAOYSA-N 1 3 276.424 3.204 20 0 CGADHO C[NH+](C)CCCNCc1ccccc1-c1ccccc1 ZINC000917392786 624264556 /nfs/dbraw/zinc/26/45/56/624264556.db2.gz MHUPBJKRSUPZDL-UHFFFAOYSA-N 1 3 268.404 3.395 20 0 CGADHO CC[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@@H]1N ZINC000923344967 626148485 /nfs/dbraw/zinc/14/84/85/626148485.db2.gz LPPPYUJKNNQLNJ-CABCVRRESA-N 1 3 250.430 3.016 20 0 CGADHO CC[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@@H]1N ZINC000923344967 626148488 /nfs/dbraw/zinc/14/84/88/626148488.db2.gz LPPPYUJKNNQLNJ-CABCVRRESA-N 1 3 250.430 3.016 20 0 CGADHO Cc1ncc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923509009 626160236 /nfs/dbraw/zinc/16/02/36/626160236.db2.gz YHQLVRIPCLQDBS-CQSZACIVSA-N 1 3 293.480 3.053 20 0 CGADHO FC(F)C1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000769535875 627563507 /nfs/dbraw/zinc/56/35/07/627563507.db2.gz WGKPJXOJGZWBSD-UHFFFAOYSA-N 1 3 286.410 3.417 20 0 CGADHO C[NH+]1CCC(CN(Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000788477679 629057252 /nfs/dbraw/zinc/05/72/52/629057252.db2.gz DWKWWKKQZVYMDN-UHFFFAOYSA-N 1 3 294.389 3.271 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790047647 629179690 /nfs/dbraw/zinc/17/96/90/629179690.db2.gz ANXNEISTSJZVQI-AEFFLSMTSA-N 1 3 286.463 3.426 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1cn(C(F)F)c2ccccc12 ZINC000863545841 629603993 /nfs/dbraw/zinc/60/39/93/629603993.db2.gz IAZAPDHOLHJQNZ-WDEREUQCSA-N 1 3 281.350 3.252 20 0 CGADHO CC[C@@H](C)[N@H+](C)CCNc1ccnc2cc(OC)ccc21 ZINC000811803822 631120215 /nfs/dbraw/zinc/12/02/15/631120215.db2.gz SUPOHJZWDQZOBS-CYBMUJFWSA-N 1 3 287.407 3.386 20 0 CGADHO CC[C@@H](C)[N@@H+](C)CCNc1ccnc2cc(OC)ccc21 ZINC000811803822 631120217 /nfs/dbraw/zinc/12/02/17/631120217.db2.gz SUPOHJZWDQZOBS-CYBMUJFWSA-N 1 3 287.407 3.386 20 0 CGADHO C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)CN(C)C ZINC000813877505 631476136 /nfs/dbraw/zinc/47/61/36/631476136.db2.gz YAIOMBWGPZPKCV-DJIMGWMZSA-N 1 3 274.452 3.356 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2C)CC1 ZINC000815553802 631794091 /nfs/dbraw/zinc/79/40/91/631794091.db2.gz KDCVTJNADOBUDF-ZDUSSCGKSA-N 1 3 264.388 3.269 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCCC1)c1ccc2c(c1)CCO2 ZINC000817937104 632237727 /nfs/dbraw/zinc/23/77/27/632237727.db2.gz SXUXRXIMMIHRAK-INIZCTEOSA-N 1 3 288.435 3.324 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]([NH3+])c1ccccc1 ZINC000817955135 632250097 /nfs/dbraw/zinc/25/00/97/632250097.db2.gz QUUFKJAWUAUVFY-QZTJIDSGSA-N 1 3 266.388 3.272 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000817962842 632258678 /nfs/dbraw/zinc/25/86/78/632258678.db2.gz LXQSDSYGIVUBTQ-ZIAGYGMSSA-N 1 3 296.414 3.492 20 0 CGADHO COc1c(C)cc([C@@H](C)[NH2+]CC2(N)CCC2)cc1Cl ZINC000817964391 632259059 /nfs/dbraw/zinc/25/90/59/632259059.db2.gz AYJLJVFDBJNOIW-LLVKDONJSA-N 1 3 282.815 3.189 20 0 CGADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc1 ZINC000820806555 632679662 /nfs/dbraw/zinc/67/96/62/632679662.db2.gz KWQBQPKPVANZJN-JLYLLQBASA-N 1 3 296.458 3.466 20 0 CGADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000820806555 632679666 /nfs/dbraw/zinc/67/96/66/632679666.db2.gz KWQBQPKPVANZJN-JLYLLQBASA-N 1 3 296.458 3.466 20 0 CGADHO CO[C@H](C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706439 633234547 /nfs/dbraw/zinc/23/45/47/633234547.db2.gz BPKJBLMIGPTRPS-SJLPKXTDSA-N 1 3 290.451 3.071 20 0 CGADHO CO[C@H](C[N@H+]1CC[C@](CN)(C(C)(C)C)C1)c1ccccc1 ZINC000866706439 633234551 /nfs/dbraw/zinc/23/45/51/633234551.db2.gz BPKJBLMIGPTRPS-SJLPKXTDSA-N 1 3 290.451 3.071 20 0 CGADHO CC(C)[NH+]1CCC(NC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824772956 633286603 /nfs/dbraw/zinc/28/66/03/633286603.db2.gz IMFFERAQZBKHQJ-GFCCVEGCSA-N 1 3 279.255 3.033 20 0 CGADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000872025827 633946112 /nfs/dbraw/zinc/94/61/12/633946112.db2.gz UKEOSRQQERUQAK-CHWSQXEVSA-N 1 3 280.378 3.429 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)N1CCCCC1 ZINC000872062983 633985401 /nfs/dbraw/zinc/98/54/01/633985401.db2.gz RVVCWIYHANPEPA-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1cc(O)ccc1F ZINC000872071999 633992899 /nfs/dbraw/zinc/99/28/99/633992899.db2.gz BLXJSBQOEICHOJ-AWEZNQCLSA-N 1 3 294.414 3.448 20 0 CGADHO Cc1nocc1CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158300 634069850 /nfs/dbraw/zinc/06/98/50/634069850.db2.gz UUKRWRVIVCRFPB-RHSMWYFYSA-N 1 3 291.439 3.103 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000873223726 634290619 /nfs/dbraw/zinc/29/06/19/634290619.db2.gz RPOYCPARCMKLTP-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000873223726 634290622 /nfs/dbraw/zinc/29/06/22/634290622.db2.gz RPOYCPARCMKLTP-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000873243733 634297869 /nfs/dbraw/zinc/29/78/69/634297869.db2.gz CXJBPLOEFZCYAB-CJNGLKHVSA-N 1 3 288.435 3.050 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCC1CC1 ZINC000873253139 634302344 /nfs/dbraw/zinc/30/23/44/634302344.db2.gz UGUOZUCRIFQKGE-LBPRGKRZSA-N 1 3 261.413 3.080 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000873274225 634315783 /nfs/dbraw/zinc/31/57/83/634315783.db2.gz SUHNFKORPZCWBF-OJDYBEQGSA-N 1 3 296.842 3.276 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccnc1Cl ZINC000840807861 635055981 /nfs/dbraw/zinc/05/59/81/635055981.db2.gz HETQRPNAHYKONF-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807861 635055983 /nfs/dbraw/zinc/05/59/83/635055983.db2.gz HETQRPNAHYKONF-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO CCCOc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1 ZINC000841036259 635111454 /nfs/dbraw/zinc/11/14/54/635111454.db2.gz PUGVHTAQGDDBON-UHFFFAOYSA-N 1 3 298.430 3.266 20 0 CGADHO c1ccc2c(c1)cncc2CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841087474 635119846 /nfs/dbraw/zinc/11/98/46/635119846.db2.gz OFOZKAGJPBCRTR-APWZRJJASA-N 1 3 295.430 3.199 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000843344374 635652564 /nfs/dbraw/zinc/65/25/64/635652564.db2.gz YBMSSUZZPWSPDY-CYBMUJFWSA-N 1 3 272.367 3.444 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccnc(Cl)c1 ZINC000844924327 635986471 /nfs/dbraw/zinc/98/64/71/635986471.db2.gz KHJDLLCSMLRFQE-GFCCVEGCSA-N 1 3 289.810 3.305 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539329 636018213 /nfs/dbraw/zinc/01/82/13/636018213.db2.gz VMHCPMWRSQMZTB-DAYGRLMNSA-N 1 3 270.420 3.405 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539329 636018219 /nfs/dbraw/zinc/01/82/19/636018219.db2.gz VMHCPMWRSQMZTB-DAYGRLMNSA-N 1 3 270.420 3.405 20 0 CGADHO Cc1cc(C)cc(NC(=[NH2+])NCCN2CCCC2(C)C)c1 ZINC000849039016 636727468 /nfs/dbraw/zinc/72/74/68/636727468.db2.gz CYMMSPVXUAKYAF-UHFFFAOYSA-N 1 3 288.439 3.114 20 0 CGADHO Cc1coc(CNCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000885922299 637313692 /nfs/dbraw/zinc/31/36/92/637313692.db2.gz ACXJZSOHIZMPRN-HNNXBMFYSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1coc(CNCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000885922299 637313698 /nfs/dbraw/zinc/31/36/98/637313698.db2.gz ACXJZSOHIZMPRN-HNNXBMFYSA-N 1 3 264.413 3.332 20 0 CGADHO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000886693479 637658650 /nfs/dbraw/zinc/65/86/50/637658650.db2.gz BRRCBKBBWIOVSD-VDERGJSUSA-N 1 3 264.457 3.131 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000221675480 637739959 /nfs/dbraw/zinc/73/99/59/637739959.db2.gz PTRGJGBEIDTATL-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)CN1CCCC1 ZINC000222057308 637773919 /nfs/dbraw/zinc/77/39/19/637773919.db2.gz VQTQRHRSSQJKCM-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853248408 637793504 /nfs/dbraw/zinc/79/35/04/637793504.db2.gz GACMFEJKBSRRMW-BBRMVZONSA-N 1 3 276.424 3.036 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000924577671 638365275 /nfs/dbraw/zinc/36/52/75/638365275.db2.gz LWOPSXIPVYTBMR-ZWKOTPCHSA-N 1 3 296.499 3.029 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857064933 638448796 /nfs/dbraw/zinc/44/87/96/638448796.db2.gz GTUGXFLGGRTMCZ-LLVKDONJSA-N 1 3 293.282 3.423 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CC3(C2)CCCC3)C[C@H](C)O1 ZINC000925439010 638503346 /nfs/dbraw/zinc/50/33/46/638503346.db2.gz HCUPSXHVTPLWIJ-IYBDPMFKSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000925612389 638545263 /nfs/dbraw/zinc/54/52/63/638545263.db2.gz KRUYWEISLMQMTB-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO C1=CC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925618728 638546476 /nfs/dbraw/zinc/54/64/76/638546476.db2.gz XTUHWFGMAPLQED-BHYGNILZSA-N 1 3 262.441 3.101 20 0 CGADHO CCC(C)(C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925650659 638556063 /nfs/dbraw/zinc/55/60/63/638556063.db2.gz QLDPQAQWSQSAII-GJZGRUSLSA-N 1 3 252.446 3.181 20 0 CGADHO CSCCCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925646095 638556957 /nfs/dbraw/zinc/55/69/57/638556957.db2.gz UILWHXLTVAPAQE-CVEARBPZSA-N 1 3 284.513 3.278 20 0 CGADHO C[C@H]([NH3+])[C@H](NCC1CCC(F)(F)CC1)c1ccccc1 ZINC000925659973 638560507 /nfs/dbraw/zinc/56/05/07/638560507.db2.gz GOOLOIUCNHLKFM-WFASDCNBSA-N 1 3 282.378 3.490 20 0 CGADHO c1cc2c(cccc2CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)[nH]1 ZINC000925731246 638585403 /nfs/dbraw/zinc/58/54/03/638585403.db2.gz ZOWKNGRMXJZCLT-HKUYNNGSSA-N 1 3 297.446 3.426 20 0 CGADHO CCSc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000925733076 638588298 /nfs/dbraw/zinc/58/82/98/638588298.db2.gz SAJFMMAOSHJHBF-KGLIPLIRSA-N 1 3 264.438 3.158 20 0 CGADHO CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CNCCC2(F)F)C1 ZINC000925781002 638612619 /nfs/dbraw/zinc/61/26/19/638612619.db2.gz HAHSUMLHDQKBNJ-YPMHNXCESA-N 1 3 298.377 3.128 20 0 CGADHO Fc1ccc([C@@H]([NH2+]C[C@@H]2CNCCC2(F)F)C2CC2)cc1 ZINC000925786647 638614955 /nfs/dbraw/zinc/61/49/55/638614955.db2.gz XNRMYUYHWYKYCE-ZFWWWQNUSA-N 1 3 298.352 3.111 20 0 CGADHO C1=CCC(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925830844 638625596 /nfs/dbraw/zinc/62/55/96/638625596.db2.gz GBAQTARRABXNET-DLBZAZTESA-N 1 3 262.441 3.101 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842370 638630216 /nfs/dbraw/zinc/63/02/16/638630216.db2.gz MMDACLGEIQQFIV-GZBFAFLISA-N 1 3 264.438 3.239 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)C1(Cl)CC1)N1CCCCC1 ZINC000926146868 638722381 /nfs/dbraw/zinc/72/23/81/638722381.db2.gz XHPDVZKZTFMKFZ-CHWSQXEVSA-N 1 3 258.837 3.000 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CCCO)CN1CCCC1 ZINC000926276593 638757983 /nfs/dbraw/zinc/75/79/83/638757983.db2.gz YJAMTOAOPAOGFP-SJORKVTESA-N 1 3 296.499 3.029 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CCC[C@H](C)O2)CC1 ZINC000926704305 638801422 /nfs/dbraw/zinc/80/14/22/638801422.db2.gz JHKLHKOYCSZIAH-DOTOQJQBSA-N 1 3 282.472 3.044 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000926755199 638807366 /nfs/dbraw/zinc/80/73/66/638807366.db2.gz VFBNKWVOXAUBNR-HIFRSBDPSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](N[C@H]1CCCn2nccc21)c1cccc(C[NH+](C)C)c1 ZINC000926816025 638815177 /nfs/dbraw/zinc/81/51/77/638815177.db2.gz JYRKRRIVFJQRSD-PBHICJAKSA-N 1 3 298.434 3.130 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H](C1CC1)C(C)(C)C)c1cccnc1 ZINC000926895978 638822413 /nfs/dbraw/zinc/82/24/13/638822413.db2.gz CBTOKTCTSZFEBA-IRXDYDNUSA-N 1 3 289.467 3.489 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000926903017 638823303 /nfs/dbraw/zinc/82/33/03/638823303.db2.gz CYAQHXXCEKLBDE-YCPHGPKFSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000926903017 638823305 /nfs/dbraw/zinc/82/33/05/638823305.db2.gz CYAQHXXCEKLBDE-YCPHGPKFSA-N 1 3 276.424 3.137 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000927025310 638833252 /nfs/dbraw/zinc/83/32/52/638833252.db2.gz HHKAQNINDJLXQQ-NXHRZFHOSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)CSCCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931310342 639133539 /nfs/dbraw/zinc/13/35/39/639133539.db2.gz DGVKHYQVIDFMLX-IYBDPMFKSA-N 1 3 284.513 3.039 20 0 CGADHO CC(C)CSCCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931310342 639133541 /nfs/dbraw/zinc/13/35/41/639133541.db2.gz DGVKHYQVIDFMLX-IYBDPMFKSA-N 1 3 284.513 3.039 20 0 CGADHO CCC[NH+]1CCC(N[C@H](C)COc2ccc(C)cc2)CC1 ZINC000040496143 639894426 /nfs/dbraw/zinc/89/44/26/639894426.db2.gz GCRYJKJOLPEURV-MRXNPFEDSA-N 1 3 290.451 3.226 20 0 CGADHO CN(Cc1cc(-c2ccccc2)on1)C1CCC([NH3+])CC1 ZINC000091847765 640725086 /nfs/dbraw/zinc/72/50/86/640725086.db2.gz NMASEBFCJDLYSJ-UHFFFAOYSA-N 1 3 285.391 3.043 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000250324198 640812427 /nfs/dbraw/zinc/81/24/27/640812427.db2.gz NQEXJIJDAQQBDR-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cc(C)nc(NCc2cccc(C[NH+](C)C)c2)c1 ZINC001156043766 805644597 /nfs/dbraw/zinc/64/45/97/805644597.db2.gz COSJMYLMDPTIDT-UHFFFAOYSA-N 1 3 269.392 3.372 20 0 CGADHO CC(C)(C)c1cc(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001159241052 806064141 /nfs/dbraw/zinc/06/41/41/806064141.db2.gz PRJZBAPXGPIBKW-NEPJUHHUSA-N 1 3 257.381 3.199 20 0 CGADHO CCCC(CCC)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257339063 807115161 /nfs/dbraw/zinc/11/51/61/807115161.db2.gz HMHQKVQQOKTNKQ-GASCZTMLSA-N 1 3 252.446 3.229 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453585 806406114 /nfs/dbraw/zinc/40/61/14/806406114.db2.gz JWRRHKMZCIVYOY-CXAGYDPISA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453585 806406120 /nfs/dbraw/zinc/40/61/20/806406120.db2.gz JWRRHKMZCIVYOY-CXAGYDPISA-N 1 3 296.405 3.169 20 0 CGADHO CC[C@H](N[C@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC001254500115 806421653 /nfs/dbraw/zinc/42/16/53/806421653.db2.gz FLGGGLYTUSHCKI-HOTGVXAUSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500115 806421656 /nfs/dbraw/zinc/42/16/56/806421656.db2.gz FLGGGLYTUSHCKI-HOTGVXAUSA-N 1 3 264.388 3.351 20 0 CGADHO CN1CCC[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001254505255 806425570 /nfs/dbraw/zinc/42/55/70/806425570.db2.gz DPEYGPWYZKICPY-BLLLJJGKSA-N 1 3 280.362 3.026 20 0 CGADHO C[N@@H+]1CCC[C@H](NC2(c3ccccc3)CCC2)CC1 ZINC001254507820 806426896 /nfs/dbraw/zinc/42/68/96/806426896.db2.gz NFMWUGSWCGFRJE-INIZCTEOSA-N 1 3 258.409 3.140 20 0 CGADHO C[N@H+]1CCC[C@H](NC2(c3ccccc3)CCC2)CC1 ZINC001254507820 806426901 /nfs/dbraw/zinc/42/69/01/806426901.db2.gz NFMWUGSWCGFRJE-INIZCTEOSA-N 1 3 258.409 3.140 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525467 806439296 /nfs/dbraw/zinc/43/92/96/806439296.db2.gz JHDAQFNRNMGISC-RDJZCZTQSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@H](N2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001254525467 806439300 /nfs/dbraw/zinc/43/93/00/806439300.db2.gz JHDAQFNRNMGISC-RDJZCZTQSA-N 1 3 276.399 3.099 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1Cc2ccccc2C1 ZINC001255014602 806526369 /nfs/dbraw/zinc/52/63/69/806526369.db2.gz BCULACMGHQBFKQ-INIZCTEOSA-N 1 3 294.442 3.251 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1Cc2ccccc2C1 ZINC001255014602 806526372 /nfs/dbraw/zinc/52/63/72/806526372.db2.gz BCULACMGHQBFKQ-INIZCTEOSA-N 1 3 294.442 3.251 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2sccc2OC)C1 ZINC001255059242 806534502 /nfs/dbraw/zinc/53/45/02/806534502.db2.gz UVTQENSTBMXJDB-OLZOCXBDSA-N 1 3 282.453 3.139 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)nc1 ZINC001255668235 806700433 /nfs/dbraw/zinc/70/04/33/806700433.db2.gz HXJZOPYEELMTDS-HNSVSWJLSA-N 1 3 273.424 3.056 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451578 799380001 /nfs/dbraw/zinc/38/00/01/799380001.db2.gz GZWYOEYCBRKULK-DYVFJYSZSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451578 799380009 /nfs/dbraw/zinc/38/00/09/799380009.db2.gz GZWYOEYCBRKULK-DYVFJYSZSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000382138423 799393176 /nfs/dbraw/zinc/39/31/76/799393176.db2.gz BYKJOLPNWMXMAK-SNVBAGLBSA-N 1 3 274.330 3.483 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CCCC[C@H](CN)C2)c(C)c1 ZINC000389184930 799461144 /nfs/dbraw/zinc/46/11/44/799461144.db2.gz ZHFDFFHEIFMJMH-MRXNPFEDSA-N 1 3 260.425 3.173 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CCCC[C@H](CN)C2)c(C)c1 ZINC000389184930 799461147 /nfs/dbraw/zinc/46/11/47/799461147.db2.gz ZHFDFFHEIFMJMH-MRXNPFEDSA-N 1 3 260.425 3.173 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@H+](C)CCCN1CCCC1 ZINC001255851724 806769146 /nfs/dbraw/zinc/76/91/46/806769146.db2.gz VJAJZUVEGSRLFE-HNNXBMFYSA-N 1 3 278.415 3.174 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@@H+](C)CCCN1CCCC1 ZINC001255851724 806769151 /nfs/dbraw/zinc/76/91/51/806769151.db2.gz VJAJZUVEGSRLFE-HNNXBMFYSA-N 1 3 278.415 3.174 20 0 CGADHO CN(Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000687979653 799743085 /nfs/dbraw/zinc/74/30/85/799743085.db2.gz BVXTYCUMXPYHNK-UHFFFAOYSA-N 1 3 272.417 3.026 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](CO)CC1CCCCC1 ZINC001255946850 806792602 /nfs/dbraw/zinc/79/26/02/806792602.db2.gz JVTNCQIZUBYYQZ-WBVHZDCISA-N 1 3 284.488 3.028 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@H](CO)CC1CCCCC1 ZINC001255946850 806792608 /nfs/dbraw/zinc/79/26/08/806792608.db2.gz JVTNCQIZUBYYQZ-WBVHZDCISA-N 1 3 284.488 3.028 20 0 CGADHO Cc1cc(C)[nH+]c(NCC2CN(Cc3ccccc3)C2)c1 ZINC000707973151 799981599 /nfs/dbraw/zinc/98/15/99/799981599.db2.gz HXWIMRADROVPNA-UHFFFAOYSA-N 1 3 281.403 3.242 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]Cc1cccc2ccncc21 ZINC001255948025 806794291 /nfs/dbraw/zinc/79/42/91/806794291.db2.gz CROSUACLQHNZBS-HNNXBMFYSA-N 1 3 285.435 3.445 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC1(CC2CC2)CC1 ZINC001255951332 806795705 /nfs/dbraw/zinc/79/57/05/806795705.db2.gz IUNSLGKSPNKIFI-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850058 800020851 /nfs/dbraw/zinc/02/08/51/800020851.db2.gz MWDQSQNKOVSVRZ-INMHGKMJSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCNC3)CC(C)(C)C1 ZINC000709850058 800020858 /nfs/dbraw/zinc/02/08/58/800020858.db2.gz MWDQSQNKOVSVRZ-INMHGKMJSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000710294210 800031964 /nfs/dbraw/zinc/03/19/64/800031964.db2.gz ZMZMHZLWVZUBOD-NSHDSACASA-N 1 3 264.438 3.062 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc2C1 ZINC001255952709 806797248 /nfs/dbraw/zinc/79/72/48/806797248.db2.gz GUHHWLDYZXLMGG-KDOFPFPSSA-N 1 3 292.442 3.393 20 0 CGADHO CCCN(CCc1ccccn1)[C@@H](C)CC[NH+](CC)CC ZINC001255965076 806802831 /nfs/dbraw/zinc/80/28/31/806802831.db2.gz DKBNEHUVIKVUHB-KRWDZBQOSA-N 1 3 291.483 3.457 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000715253386 800132527 /nfs/dbraw/zinc/13/25/27/800132527.db2.gz BONJWNHSRIRUQE-QLFBSQMISA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716720977 800179491 /nfs/dbraw/zinc/17/94/91/800179491.db2.gz ZDMHTRKGAJWCDY-WQCNXYOZSA-N 1 3 284.447 3.428 20 0 CGADHO COc1cc(C)c(CNC2CC[NH+](C3CC3)CC2)cc1C ZINC001256070985 806811716 /nfs/dbraw/zinc/81/17/16/806811716.db2.gz KMMSDXIYBQGBDF-UHFFFAOYSA-N 1 3 288.435 3.028 20 0 CGADHO C[C@H](c1ccc(Br)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000723675257 800336821 /nfs/dbraw/zinc/33/68/21/800336821.db2.gz VZZUWCZDYJTNEV-NEPJUHHUSA-N 1 3 297.240 3.181 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCN1C ZINC000822123879 800459606 /nfs/dbraw/zinc/45/96/06/800459606.db2.gz GURIPYNJWOZIJQ-IAGOWNOFSA-N 1 3 260.425 3.082 20 0 CGADHO Cc1[nH+]ccn1CCNc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001163928355 806852386 /nfs/dbraw/zinc/85/23/86/806852386.db2.gz IAUDFWMOZWJPBS-UHFFFAOYSA-N 1 3 291.358 3.333 20 0 CGADHO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001256358162 806865610 /nfs/dbraw/zinc/86/56/10/806865610.db2.gz CMZSDAJWCIWNFS-ULQDDVLXSA-N 1 3 282.472 3.044 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CCC(OCC)CC1 ZINC001256429189 806896174 /nfs/dbraw/zinc/89/61/74/806896174.db2.gz GERZTOUETKUCAH-UHFFFAOYSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1cc2cc(N(CCC[NH3+])C(C)C)ccc2cn1 ZINC001164128971 806897415 /nfs/dbraw/zinc/89/74/15/806897415.db2.gz RHLYQIWCBKGQRE-UHFFFAOYSA-N 1 3 257.381 3.107 20 0 CGADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001256622374 806928165 /nfs/dbraw/zinc/92/81/65/806928165.db2.gz HSYWMASORLTTRP-KTFSGNIMSA-N 1 3 270.420 3.231 20 0 CGADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001256622374 806928173 /nfs/dbraw/zinc/92/81/73/806928173.db2.gz HSYWMASORLTTRP-KTFSGNIMSA-N 1 3 270.420 3.231 20 0 CGADHO Cc1ccc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2n1 ZINC001256621011 806928362 /nfs/dbraw/zinc/92/83/62/806928362.db2.gz IIFRYXQGPXRCIC-AYHJJNSGSA-N 1 3 295.430 3.258 20 0 CGADHO CC(C)(CC1CCC1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687224 806948194 /nfs/dbraw/zinc/94/81/94/806948194.db2.gz QMJABRHVHJXOFH-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811892 813442985 /nfs/dbraw/zinc/44/29/85/813442985.db2.gz WOZVGGNYGAUDMM-JKSUJKDBSA-N 1 3 290.451 3.341 20 0 CGADHO CN(C)Cc1cccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)n1 ZINC001245347429 803707208 /nfs/dbraw/zinc/70/72/08/803707208.db2.gz BJYKVTNYKMEZBM-KRWDZBQOSA-N 1 3 281.403 3.235 20 0 CGADHO CCCCC[C@@H]([NH2+]C[C@@]1(O)CCCNC1)c1ccccc1 ZINC001246016070 804097750 /nfs/dbraw/zinc/09/77/50/804097750.db2.gz FHULXMMTSCBSPH-QZTJIDSGSA-N 1 3 290.451 3.012 20 0 CGADHO CC[C@@H]1C[C@H](NC2Cc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246073876 804111692 /nfs/dbraw/zinc/11/16/92/804111692.db2.gz LDAWDTVNNKBKNI-VQFNDLOPSA-N 1 3 272.436 3.053 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246073535 804112323 /nfs/dbraw/zinc/11/23/23/804112323.db2.gz FXYLSBGYBAOYFN-QGZVFWFLSA-N 1 3 290.426 3.413 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001246095446 804128251 /nfs/dbraw/zinc/12/82/51/804128251.db2.gz GFGQZZWZFXIHCE-YQQAZPJKSA-N 1 3 292.492 3.453 20 0 CGADHO c1ccc(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246097716 804130095 /nfs/dbraw/zinc/13/00/95/804130095.db2.gz MFVRISLNUUBBJB-VQTJNVASSA-N 1 3 294.442 3.182 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097561 804130416 /nfs/dbraw/zinc/13/04/16/804130416.db2.gz YSYVUQRISJXTQR-DGXTUMSLSA-N 1 3 250.430 3.075 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107389 804139949 /nfs/dbraw/zinc/13/99/49/804139949.db2.gz AWNVFEPWPPCSNH-BRWVUGGUSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246107079 804140088 /nfs/dbraw/zinc/14/00/88/804140088.db2.gz YXSCIWZTYPZVIO-BFHYXJOUSA-N 1 3 296.455 3.142 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCC3(CCCC3)CC2)CCN1 ZINC001246110549 804141553 /nfs/dbraw/zinc/14/15/53/804141553.db2.gz MITNXPILCFSOBY-UKRRQHHQSA-N 1 3 250.430 3.220 20 0 CGADHO CCCCCC[C@@H](C)NC[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116128 804147484 /nfs/dbraw/zinc/14/74/84/804147484.db2.gz VBRRXWQDTSENHK-CHWSQXEVSA-N 1 3 280.378 3.477 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC[C@@H]1CCCC[NH2+]C1 ZINC001246115545 804147834 /nfs/dbraw/zinc/14/78/34/804147834.db2.gz YSBBQCXBUCBPDH-QWHCGFSZSA-N 1 3 298.833 3.389 20 0 CGADHO CC(C)C1CCC(NC[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246116347 804148519 /nfs/dbraw/zinc/14/85/19/804148519.db2.gz VMKFBUZUZIVGET-RUXDESIVSA-N 1 3 292.389 3.333 20 0 CGADHO C1[C@@H]2CNC[C@H]1[C@H]2[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246148265 804168022 /nfs/dbraw/zinc/16/80/22/804168022.db2.gz LIOWLYCXNQEZRD-QXSJWSMHSA-N 1 3 262.441 3.077 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246172979 804187613 /nfs/dbraw/zinc/18/76/13/804187613.db2.gz FNONPXVBCNDBRI-HOTGVXAUSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@@H]1C[C@@H](NCCSCc2ccc(F)cc2)CC[NH2+]1 ZINC001246173029 804187903 /nfs/dbraw/zinc/18/79/03/804187903.db2.gz JQFNGYXAIJCOPT-CVEARBPZSA-N 1 3 296.455 3.179 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CC1 ZINC001246208091 804206388 /nfs/dbraw/zinc/20/63/88/804206388.db2.gz BPSRKZUSRHEMDJ-VIFPVBQESA-N 1 3 273.207 3.005 20 0 CGADHO COc1ccc2cc(CC[C@H](C)[NH2+][C@H]3C[C@@H](N)C3)ccc2c1 ZINC001246189568 804199864 /nfs/dbraw/zinc/19/98/64/804199864.db2.gz NVZQTDRKVHPIMR-DOPJRALCSA-N 1 3 298.430 3.249 20 0 CGADHO COc1ccc2cc(CC[C@H](C)N[C@H]3C[C@@H]([NH3+])C3)ccc2c1 ZINC001246189568 804199870 /nfs/dbraw/zinc/19/98/70/804199870.db2.gz NVZQTDRKVHPIMR-DOPJRALCSA-N 1 3 298.430 3.249 20 0 CGADHO COc1ccc2cc(CC[C@H](C)[NH2+][C@H]3C[C@H](N)C3)ccc2c1 ZINC001246189571 804200270 /nfs/dbraw/zinc/20/02/70/804200270.db2.gz NVZQTDRKVHPIMR-KKXDTOCCSA-N 1 3 298.430 3.249 20 0 CGADHO COc1ccc2cc(CC[C@H](C)N[C@H]3C[C@H]([NH3+])C3)ccc2c1 ZINC001246189571 804200273 /nfs/dbraw/zinc/20/02/73/804200273.db2.gz NVZQTDRKVHPIMR-KKXDTOCCSA-N 1 3 298.430 3.249 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](N[C@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246209271 804207945 /nfs/dbraw/zinc/20/79/45/804207945.db2.gz GQJAIVAJCYMUET-QAETUUGQSA-N 1 3 272.436 3.299 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246233864 804226900 /nfs/dbraw/zinc/22/69/00/804226900.db2.gz BULJYDYBOCAVQZ-IRXDYDNUSA-N 1 3 290.451 3.356 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246236499 804229045 /nfs/dbraw/zinc/22/90/45/804229045.db2.gz LTRFUXJJGQDDTF-KSZLIROESA-N 1 3 286.463 3.300 20 0 CGADHO CC[C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241078 804233984 /nfs/dbraw/zinc/23/39/84/804233984.db2.gz WPWVOYXXPHFTGE-CVEARBPZSA-N 1 3 292.854 3.492 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC(C)(C)CN ZINC001246249637 804237753 /nfs/dbraw/zinc/23/77/53/804237753.db2.gz LTIPXHWGTBVCNJ-NSHDSACASA-N 1 3 286.872 3.395 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NCC(C)(C)C[NH3+] ZINC001246249637 804237760 /nfs/dbraw/zinc/23/77/60/804237760.db2.gz LTIPXHWGTBVCNJ-NSHDSACASA-N 1 3 286.872 3.395 20 0 CGADHO CC(C)(CN)C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246249691 804238509 /nfs/dbraw/zinc/23/85/09/804238509.db2.gz MLFMIDRAALLKTL-JKSUJKDBSA-N 1 3 260.425 3.287 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)CC2)CCN1 ZINC001246261385 804241993 /nfs/dbraw/zinc/24/19/93/804241993.db2.gz CVXULYMIJVHFNZ-YHUYYLMFSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCN1 ZINC001246258387 804242911 /nfs/dbraw/zinc/24/29/11/804242911.db2.gz XBAWRFLZCSKPSA-MZBWOGCUSA-N 1 3 264.457 3.466 20 0 CGADHO Fc1cccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC001246275264 804251258 /nfs/dbraw/zinc/25/12/58/804251258.db2.gz QOPYINKCPMXPDR-DLBZAZTESA-N 1 3 276.399 3.399 20 0 CGADHO Fc1cccc([C@@H]([NH2+][C@H]2CCCNC2)C2CCC2)c1 ZINC001246275867 804252083 /nfs/dbraw/zinc/25/20/83/804252083.db2.gz XVLCKLKFUMGWED-HOTGVXAUSA-N 1 3 262.372 3.009 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC2(C)C)CCN1 ZINC001246292233 804261625 /nfs/dbraw/zinc/26/16/25/804261625.db2.gz WQHIJXLOLLBSNA-QLFBSQMISA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H](CCN)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246301274 804267824 /nfs/dbraw/zinc/26/78/24/804267824.db2.gz QZRULHOZJDJPPQ-CABZTGNLSA-N 1 3 287.234 3.178 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H](C)Cc1ccccc1Cl ZINC001246304515 804269664 /nfs/dbraw/zinc/26/96/64/804269664.db2.gz AGXJPTZAGDOTCY-JSGCOSHPSA-N 1 3 268.832 3.234 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246325672 804282581 /nfs/dbraw/zinc/28/25/81/804282581.db2.gz KQWYBOJUSRZUBX-IAGOWNOFSA-N 1 3 296.405 3.408 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CCN1 ZINC001246324327 804282985 /nfs/dbraw/zinc/28/29/85/804282985.db2.gz GWRKTALGQGZNLC-OHWFHFMLSA-N 1 3 284.447 3.299 20 0 CGADHO c1ccc([C@@H]2[C@H](N[C@@H]3CCCC[NH2+]C3)[C@@H]3CC[C@H]2C3)cc1 ZINC001246328249 804284886 /nfs/dbraw/zinc/28/48/86/804284886.db2.gz WNIWFJVZBALOGQ-BRIYLRKRSA-N 1 3 284.447 3.300 20 0 CGADHO C1[C@@H](N[C@@H]2CC[NH2+]C3(CCCCC3)C2)C12CCCC2 ZINC001246331559 804285652 /nfs/dbraw/zinc/28/56/52/804285652.db2.gz CNFSPRAKWQAKJC-HUUCEWRRSA-N 1 3 262.441 3.364 20 0 CGADHO CC(C)C[C@@H](N)c1nc2ccccc2n1C1CC[NH2+]CC1 ZINC001246330213 804285813 /nfs/dbraw/zinc/28/58/13/804285813.db2.gz BPNDDCFCEKFMFR-CQSZACIVSA-N 1 3 286.423 3.007 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C2CCC(C(C)C)CC2)CCN1 ZINC001246336923 804290893 /nfs/dbraw/zinc/29/08/93/804290893.db2.gz RPJUIJMSVRCGLS-GRAKBVBRSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246335670 804291469 /nfs/dbraw/zinc/29/14/69/804291469.db2.gz LMBQPZOGKCOCSP-HAEOWDPNSA-N 1 3 262.441 3.075 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC001246349641 804298485 /nfs/dbraw/zinc/29/84/85/804298485.db2.gz VBIXIZSFJVKFOS-HNNXBMFYSA-N 1 3 287.451 3.420 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C(C)(C)CCN ZINC001246363141 804305598 /nfs/dbraw/zinc/30/55/98/804305598.db2.gz PTDOGNIEXXOIPO-JTQLQIEISA-N 1 3 272.795 3.127 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC(C)(C)CC[NH3+] ZINC001246363141 804305607 /nfs/dbraw/zinc/30/56/07/804305607.db2.gz PTDOGNIEXXOIPO-JTQLQIEISA-N 1 3 272.795 3.127 20 0 CGADHO Cc1ccc(SC[C@H](C)NC(C)(C)CC[NH3+])cc1 ZINC001246364048 804306428 /nfs/dbraw/zinc/30/64/28/804306428.db2.gz SEERQGPNVFEYRV-ZDUSSCGKSA-N 1 3 266.454 3.193 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+]C(C)(C)CCN)cc1 ZINC001246364048 804306438 /nfs/dbraw/zinc/30/64/38/804306438.db2.gz SEERQGPNVFEYRV-ZDUSSCGKSA-N 1 3 266.454 3.193 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246376164 804312523 /nfs/dbraw/zinc/31/25/23/804312523.db2.gz MOGBTCIZVSTDFD-MOPGFXCFSA-N 1 3 286.463 3.302 20 0 CGADHO CCc1cc2c(cc1CC)CC(N[C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246380194 804313326 /nfs/dbraw/zinc/31/33/26/804313326.db2.gz SZGZNPUUPMLZGI-OPVJXMOQSA-N 1 3 298.474 3.151 20 0 CGADHO Cc1ccc(CC2(C[NH2+][C@H]3CCN[C@H](C)C3)CC2)cc1 ZINC001246384578 804315488 /nfs/dbraw/zinc/31/54/88/804315488.db2.gz QFYSYVOYPXWAOG-WBVHZDCISA-N 1 3 272.436 3.048 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246396395 804320155 /nfs/dbraw/zinc/32/01/55/804320155.db2.gz ZHXKJWOVBQMEPY-KBPBESRZSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246395568 804320584 /nfs/dbraw/zinc/32/05/84/804320584.db2.gz WHNBMTPKWMOCLZ-HIFRSBDPSA-N 1 3 250.430 3.077 20 0 CGADHO Fc1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCCNC2)cc1 ZINC001246401424 804321488 /nfs/dbraw/zinc/32/14/88/804321488.db2.gz DLLSYWFQGNIMER-JKSUJKDBSA-N 1 3 262.372 3.009 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246410758 804323252 /nfs/dbraw/zinc/32/32/52/804323252.db2.gz LRBUPHOKMUKHLY-HOTGVXAUSA-N 1 3 278.415 3.267 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)CN1 ZINC001246406932 804324192 /nfs/dbraw/zinc/32/41/92/804324192.db2.gz QLAZQPBEBCVKTO-TZMCWYRMSA-N 1 3 286.410 3.465 20 0 CGADHO CC[C@@H]1C[C@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246438535 804333468 /nfs/dbraw/zinc/33/34/68/804333468.db2.gz JJGNBHADGVZBTL-HZPDHXFCSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246438535 804333477 /nfs/dbraw/zinc/33/34/77/804333477.db2.gz JJGNBHADGVZBTL-HZPDHXFCSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@H]1C[C@@H](NCC2(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246438532 804334786 /nfs/dbraw/zinc/33/47/86/804334786.db2.gz JJGNBHADGVZBTL-HOTGVXAUSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC2)CCN1 ZINC001246438532 804334796 /nfs/dbraw/zinc/33/47/96/804334796.db2.gz JJGNBHADGVZBTL-HOTGVXAUSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@]1([NH2+]C2CCC(Oc3ccccc3)CC2)CCNC1 ZINC001246467924 804346424 /nfs/dbraw/zinc/34/64/24/804346424.db2.gz ZTBXEJQXGDFKEX-VMWRSERWSA-N 1 3 288.435 3.108 20 0 CGADHO CC(C)P(CC[NH2+][C@H]1CC[C@@H](C)NC1)C(C)C ZINC001246470659 804348110 /nfs/dbraw/zinc/34/81/10/804348110.db2.gz QQGOOLWSVPYDJP-KGLIPLIRSA-N 1 3 258.390 3.015 20 0 CGADHO c1ccc2c(c1)NC[C@H]2CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246472118 804348626 /nfs/dbraw/zinc/34/86/26/804348626.db2.gz DYZUKJDPTBGTCV-CVEARBPZSA-N 1 3 299.462 3.240 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCNCC12CC2 ZINC001246472783 804348935 /nfs/dbraw/zinc/34/89/35/804348935.db2.gz IWCJYQZWGGMNDD-ZNMIVQPWSA-N 1 3 252.446 3.179 20 0 CGADHO c1ccc2c(c1)NC[C@H]2CN[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246472122 804349701 /nfs/dbraw/zinc/34/97/01/804349701.db2.gz DYZUKJDPTBGTCV-HZPDHXFCSA-N 1 3 299.462 3.240 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246493593 804358660 /nfs/dbraw/zinc/35/86/60/804358660.db2.gz IJCGCPHTHXVVRL-PBHICJAKSA-N 1 3 291.483 3.243 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCCNC1 ZINC001246496511 804360063 /nfs/dbraw/zinc/36/00/63/804360063.db2.gz JPYLDVYJDBOQQX-WBVHZDCISA-N 1 3 258.409 3.186 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246512134 804367752 /nfs/dbraw/zinc/36/77/52/804367752.db2.gz ASUXABTZZOJOIH-JJRVBVJISA-N 1 3 266.473 3.425 20 0 CGADHO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)CC(C)C)C1CNC1 ZINC001246513364 804368170 /nfs/dbraw/zinc/36/81/70/804368170.db2.gz DLMRGNLIHYGQCZ-QZTJIDSGSA-N 1 3 274.452 3.231 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246515208 804369350 /nfs/dbraw/zinc/36/93/50/804369350.db2.gz KHXIUFBQCOONBC-OFQRWUPVSA-N 1 3 254.462 3.425 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)C1CNC1 ZINC001246514366 804370446 /nfs/dbraw/zinc/37/04/46/804370446.db2.gz GPAQQVUTCNZIAS-PBHICJAKSA-N 1 3 292.854 3.031 20 0 CGADHO CC(C)[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)C1CNC1 ZINC001246517507 804372124 /nfs/dbraw/zinc/37/21/24/804372124.db2.gz LUZADCVASGUYSO-DLBZAZTESA-N 1 3 292.854 3.031 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246519758 804373119 /nfs/dbraw/zinc/37/31/19/804373119.db2.gz UGDQPDRRCUTHHR-ROUUACIJSA-N 1 3 274.452 3.231 20 0 CGADHO C1CC1[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CNC1 ZINC001246519360 804374396 /nfs/dbraw/zinc/37/43/96/804374396.db2.gz RZPUSCSYQKKFJW-KRWDZBQOSA-N 1 3 276.468 3.467 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246519754 804374587 /nfs/dbraw/zinc/37/45/87/804374587.db2.gz UGDQPDRRCUTHHR-MSOLQXFVSA-N 1 3 274.452 3.231 20 0 CGADHO C[C@@H]1C[C@@H](N2Cc3ccccc3[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC001246547806 804396412 /nfs/dbraw/zinc/39/64/12/804396412.db2.gz OIGIEGMGOVQVNV-AYDFFVQHSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3[C@@H](C)C2)C[C@H](C)N1 ZINC001246547806 804396420 /nfs/dbraw/zinc/39/64/20/804396420.db2.gz OIGIEGMGOVQVNV-AYDFFVQHSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)C[C@H](C)N1 ZINC001246547806 804396426 /nfs/dbraw/zinc/39/64/26/804396426.db2.gz OIGIEGMGOVQVNV-AYDFFVQHSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1CN ZINC001246553791 804404742 /nfs/dbraw/zinc/40/47/42/804404742.db2.gz UUAWKRSODNVYIZ-PVUWLOKVSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C[C@@H]1CN ZINC001246553791 804404748 /nfs/dbraw/zinc/40/47/48/804404748.db2.gz UUAWKRSODNVYIZ-PVUWLOKVSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246562038 804412167 /nfs/dbraw/zinc/41/21/67/804412167.db2.gz HONYSSMVOGMCRK-VNHYZAJKSA-N 1 3 280.843 3.330 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001246565778 804413647 /nfs/dbraw/zinc/41/36/47/804413647.db2.gz PUAYTLPKPVEUAQ-JZXOWHBKSA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](CN)[C@H]2C)cc1 ZINC001246565778 804413650 /nfs/dbraw/zinc/41/36/50/804413650.db2.gz PUAYTLPKPVEUAQ-JZXOWHBKSA-N 1 3 274.452 3.375 20 0 CGADHO CCCC[C@H](CC(C)C)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001246615004 804449056 /nfs/dbraw/zinc/44/90/56/804449056.db2.gz QQFWRRDSJYHEOE-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC3(CCCC3)C2)C[C@H](C)N1 ZINC001246615137 804450685 /nfs/dbraw/zinc/45/06/85/804450685.db2.gz QGOVDPLDWHRROG-QDMKHBRRSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)C[C@H](C)N1 ZINC001246615137 804450690 /nfs/dbraw/zinc/45/06/90/804450690.db2.gz QGOVDPLDWHRROG-QDMKHBRRSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246622259 804455683 /nfs/dbraw/zinc/45/56/83/804455683.db2.gz QIQUYVADRXSXOO-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC(CCCC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246633213 804463980 /nfs/dbraw/zinc/46/39/80/804463980.db2.gz FCYNGOFZGHQGFD-GOSISDBHSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCC(CCCC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246633213 804463981 /nfs/dbraw/zinc/46/39/81/804463981.db2.gz FCYNGOFZGHQGFD-GOSISDBHSA-N 1 3 296.499 3.437 20 0 CGADHO C[C@@H](Cc1ccccc1F)N1CCCCC12CC[NH2+]CC2 ZINC001246645931 804473295 /nfs/dbraw/zinc/47/32/95/804473295.db2.gz FATCXXQHDQGTCX-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCCC12CCNCC2 ZINC001246645931 804473300 /nfs/dbraw/zinc/47/33/00/804473300.db2.gz FATCXXQHDQGTCX-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO C[C@@H](Cc1ccccc1F)[N@H+]1CCCCC12CCNCC2 ZINC001246645931 804473304 /nfs/dbraw/zinc/47/33/04/804473304.db2.gz FATCXXQHDQGTCX-HNNXBMFYSA-N 1 3 290.426 3.365 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CCCC12CCNCC2 ZINC001246649985 804477666 /nfs/dbraw/zinc/47/76/66/804477666.db2.gz AMYJYCKJIXGPFK-HNNXBMFYSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CCCC12CCNCC2 ZINC001246649985 804477670 /nfs/dbraw/zinc/47/76/70/804477670.db2.gz AMYJYCKJIXGPFK-HNNXBMFYSA-N 1 3 250.430 3.339 20 0 CGADHO N[C@H]1[C@H]2C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]12 ZINC001246665968 804486970 /nfs/dbraw/zinc/48/69/70/804486970.db2.gz VNAXQAKWLHPPQU-JWEAOGIISA-N 1 3 290.838 3.255 20 0 CGADHO N[C@H]1[C@H]2C[N@@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@@H]12 ZINC001246665968 804486974 /nfs/dbraw/zinc/48/69/74/804486974.db2.gz VNAXQAKWLHPPQU-JWEAOGIISA-N 1 3 290.838 3.255 20 0 CGADHO C[C@@H](CCc1ccc(Br)cc1)[N@H+](C)CCCN ZINC001246678017 804492794 /nfs/dbraw/zinc/49/27/94/804492794.db2.gz CSRMMOLRWOILQS-LBPRGKRZSA-N 1 3 299.256 3.051 20 0 CGADHO C[C@@H](CCc1ccc(Br)cc1)[N@@H+](C)CCCN ZINC001246678017 804492802 /nfs/dbraw/zinc/49/28/02/804492802.db2.gz CSRMMOLRWOILQS-LBPRGKRZSA-N 1 3 299.256 3.051 20 0 CGADHO C[C@@H](CCc1ccc(Br)cc1)N(C)CCC[NH3+] ZINC001246678017 804492806 /nfs/dbraw/zinc/49/28/06/804492806.db2.gz CSRMMOLRWOILQS-LBPRGKRZSA-N 1 3 299.256 3.051 20 0 CGADHO CCCCC1CC[NH+](C2C[C@H](C)N[C@@H](C)C2)CC1 ZINC001246680111 804494289 /nfs/dbraw/zinc/49/42/89/804494289.db2.gz HXOUUTRTRUGOSI-KBPBESRZSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246777684 804505820 /nfs/dbraw/zinc/50/58/20/804505820.db2.gz RYHPUKVHQYDNTD-IAGOWNOFSA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246777684 804505823 /nfs/dbraw/zinc/50/58/23/804505823.db2.gz RYHPUKVHQYDNTD-IAGOWNOFSA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@@H]1C[C@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777684 804505826 /nfs/dbraw/zinc/50/58/26/804505826.db2.gz RYHPUKVHQYDNTD-IAGOWNOFSA-N 1 3 260.425 3.082 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246778347 804506566 /nfs/dbraw/zinc/50/65/66/804506566.db2.gz ULSVZWNJBXBLJK-ROUUACIJSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246778347 804506570 /nfs/dbraw/zinc/50/65/70/804506570.db2.gz ULSVZWNJBXBLJK-ROUUACIJSA-N 1 3 274.452 3.459 20 0 CGADHO CC[C@H]1C[C@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783583 804510015 /nfs/dbraw/zinc/51/00/15/804510015.db2.gz PIJZFGRRKWDACY-PVGHXWSTSA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783583 804510021 /nfs/dbraw/zinc/51/00/21/804510021.db2.gz PIJZFGRRKWDACY-PVGHXWSTSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@H]1C ZINC001246788066 804512055 /nfs/dbraw/zinc/51/20/55/804512055.db2.gz HCVWPLYSEUPBOM-BARDWOONSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@H]1C ZINC001246788066 804512058 /nfs/dbraw/zinc/51/20/58/804512058.db2.gz HCVWPLYSEUPBOM-BARDWOONSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@H]2c2cccs2)CC[NH2+]1 ZINC001246790994 804513304 /nfs/dbraw/zinc/51/33/04/804513304.db2.gz WWAMKYWBYJTWHK-UPJWGTAASA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2c2cccs2)CCN1 ZINC001246790994 804513311 /nfs/dbraw/zinc/51/33/11/804513311.db2.gz WWAMKYWBYJTWHK-UPJWGTAASA-N 1 3 250.411 3.026 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2c2cccs2)CCN1 ZINC001246790994 804513317 /nfs/dbraw/zinc/51/33/17/804513317.db2.gz WWAMKYWBYJTWHK-UPJWGTAASA-N 1 3 250.411 3.026 20 0 CGADHO c1ccc(C[C@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791493 804516160 /nfs/dbraw/zinc/51/61/60/804516160.db2.gz JWWQRMSYILSYDN-AKHDSKFASA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791493 804516165 /nfs/dbraw/zinc/51/61/65/804516165.db2.gz JWWQRMSYILSYDN-AKHDSKFASA-N 1 3 284.447 3.224 20 0 CGADHO C[NH2+]C1CCN([C@@H](Cc2ccccc2)CC(C)C)CC1 ZINC001246808476 804525003 /nfs/dbraw/zinc/52/50/03/804525003.db2.gz XJYNFIRZAMMDCC-GOSISDBHSA-N 1 3 274.452 3.328 20 0 CGADHO Cc1ccc(CCN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001246813374 804530044 /nfs/dbraw/zinc/53/00/44/804530044.db2.gz JAUNLTMUWNXMBU-BCDXTJNWSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc(CC[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246813374 804530051 /nfs/dbraw/zinc/53/00/51/804530051.db2.gz JAUNLTMUWNXMBU-BCDXTJNWSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc(CC[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246813374 804530057 /nfs/dbraw/zinc/53/00/57/804530057.db2.gz JAUNLTMUWNXMBU-BCDXTJNWSA-N 1 3 272.436 3.142 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@H+](CCOC)C1CCNCC1 ZINC001246837500 804546730 /nfs/dbraw/zinc/54/67/30/804546730.db2.gz USYFTDKTVQYIAM-CVEARBPZSA-N 1 3 284.488 3.292 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@@H+](CCOC)C1CCNCC1 ZINC001246837500 804546732 /nfs/dbraw/zinc/54/67/32/804546732.db2.gz USYFTDKTVQYIAM-CVEARBPZSA-N 1 3 284.488 3.292 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC001246840104 804548591 /nfs/dbraw/zinc/54/85/91/804548591.db2.gz FDSNMUXPQIPMIA-ARFHVFGLSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC001246840104 804548593 /nfs/dbraw/zinc/54/85/93/804548593.db2.gz FDSNMUXPQIPMIA-ARFHVFGLSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([N@H+](C)CC2CCCCC2)CCN1 ZINC001246847310 804556183 /nfs/dbraw/zinc/55/61/83/804556183.db2.gz SPCDBMWUYXFDPU-HOTGVXAUSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([N@@H+](C)CC2CCCCC2)CCN1 ZINC001246847310 804556188 /nfs/dbraw/zinc/55/61/88/804556188.db2.gz SPCDBMWUYXFDPU-HOTGVXAUSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CC[C@@H](n2c3ccccc3nc2[C@H]2CCCCN2)C[NH2+]1 ZINC001246847203 804556941 /nfs/dbraw/zinc/55/69/41/804556941.db2.gz JQAIBBOZKOLMMH-IIAWOOMASA-N 1 3 298.434 3.164 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C2CCCCC2)CCN1 ZINC001246861372 804565409 /nfs/dbraw/zinc/56/54/09/804565409.db2.gz JMNLGYSHVZOFMK-CWRNSKLLSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2C2CCCCC2)CCN1 ZINC001246861372 804565412 /nfs/dbraw/zinc/56/54/12/804565412.db2.gz JMNLGYSHVZOFMK-CWRNSKLLSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875322 804574212 /nfs/dbraw/zinc/57/42/12/804574212.db2.gz ZZMOZGIKHNQCBS-RHSMWYFYSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246875322 804574216 /nfs/dbraw/zinc/57/42/16/804574216.db2.gz ZZMOZGIKHNQCBS-RHSMWYFYSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246875322 804574218 /nfs/dbraw/zinc/57/42/18/804574218.db2.gz ZZMOZGIKHNQCBS-RHSMWYFYSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1CC2(C1)CCC[NH2+]CC2 ZINC001246882199 804577600 /nfs/dbraw/zinc/57/76/00/804577600.db2.gz XMUUGDUXRCDFCB-AWEZNQCLSA-N 1 3 292.854 3.347 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901360 804588351 /nfs/dbraw/zinc/58/83/51/804588351.db2.gz MNDHCVIKQISGAR-SUNYJGFJSA-N 1 3 283.419 3.445 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901360 804588355 /nfs/dbraw/zinc/58/83/55/804588355.db2.gz MNDHCVIKQISGAR-SUNYJGFJSA-N 1 3 283.419 3.445 20 0 CGADHO C[C@H](c1ccccc1Cl)N(C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246912618 804594453 /nfs/dbraw/zinc/59/44/53/804594453.db2.gz ZNEKKKRLSDKQJN-NEPJUHHUSA-N 1 3 296.867 3.180 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC001246915927 804599366 /nfs/dbraw/zinc/59/93/66/804599366.db2.gz ZHPHRXAHDRRLDD-GOEBONIOSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC001246915927 804599372 /nfs/dbraw/zinc/59/93/72/804599372.db2.gz ZHPHRXAHDRRLDD-GOEBONIOSA-N 1 3 250.430 3.172 20 0 CGADHO [NH3+]C[C@@]1(F)CCN(C2CCC3(CCCCC3)CC2)C1 ZINC001246943398 804612463 /nfs/dbraw/zinc/61/24/63/804612463.db2.gz BAGRNKXXSFXCBW-INIZCTEOSA-N 1 3 268.420 3.252 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC001246964234 804619836 /nfs/dbraw/zinc/61/98/36/804619836.db2.gz BXKXUSOBZOWSIJ-GOEBONIOSA-N 1 3 278.465 3.146 20 0 CGADHO C[C@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966330 804621180 /nfs/dbraw/zinc/62/11/80/804621180.db2.gz RLUMIMGTKOJIJY-WMLDXEAASA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966330 804621182 /nfs/dbraw/zinc/62/11/82/804621182.db2.gz RLUMIMGTKOJIJY-WMLDXEAASA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H]1C[C@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966330 804621185 /nfs/dbraw/zinc/62/11/85/804621185.db2.gz RLUMIMGTKOJIJY-WMLDXEAASA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)N1C[C@@H]([NH3+])C[C@H]1C ZINC001246999695 804634675 /nfs/dbraw/zinc/63/46/75/804634675.db2.gz SRWVDJUDALNWLL-RDBSUJKOSA-N 1 3 296.480 3.492 20 0 CGADHO CCCc1ccc(C[NH+]2C[C@H]3CN(CC)C[C@@H]3C2)cc1 ZINC001142367589 804718811 /nfs/dbraw/zinc/71/88/11/804718811.db2.gz RZJVCSXAQVASIX-QZTJIDSGSA-N 1 3 272.436 3.023 20 0 CGADHO Cc1c2[nH]cnc2ccc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165279851 806986297 /nfs/dbraw/zinc/98/62/97/806986297.db2.gz ZWAQJEBRLSQLTB-ZDUSSCGKSA-N 1 3 272.396 3.015 20 0 CGADHO Cc1c2[nH]cnc2ccc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165279851 806986302 /nfs/dbraw/zinc/98/63/02/806986302.db2.gz ZWAQJEBRLSQLTB-ZDUSSCGKSA-N 1 3 272.396 3.015 20 0 CGADHO CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001257310526 807100371 /nfs/dbraw/zinc/10/03/71/807100371.db2.gz GFWHBVIJXGOGCF-OAHLLOKOSA-N 1 3 275.440 3.072 20 0 CGADHO CCCC(CCC)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257339063 807115159 /nfs/dbraw/zinc/11/51/59/807115159.db2.gz HMHQKVQQOKTNKQ-GASCZTMLSA-N 1 3 252.446 3.229 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001257467193 807170140 /nfs/dbraw/zinc/17/01/40/807170140.db2.gz HLEQGUBQZQUNHY-ZWKOTPCHSA-N 1 3 297.531 3.207 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001258006029 807264990 /nfs/dbraw/zinc/26/49/90/807264990.db2.gz DAMLIWWHYREWPC-MSOLQXFVSA-N 1 3 290.426 3.392 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)cc1 ZINC001167897591 807269753 /nfs/dbraw/zinc/26/97/53/807269753.db2.gz KMDNHIMWJMQBCP-XHHHBCLVSA-N 1 3 296.458 3.285 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258055976 807280697 /nfs/dbraw/zinc/28/06/97/807280697.db2.gz NUBLHSPYFWDNDY-QZTJIDSGSA-N 1 3 297.531 3.063 20 0 CGADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1)C(C)(C)C ZINC001167964733 807288116 /nfs/dbraw/zinc/28/81/16/807288116.db2.gz WYRCDUYRKCAKGW-OHRKKDJYSA-N 1 3 264.457 3.416 20 0 CGADHO C[C@@H](Cc1ccco1)[N@H+](CCCN)C1CCCCC1 ZINC001258176250 807342660 /nfs/dbraw/zinc/34/26/60/807342660.db2.gz NIWRMDJRMUDSGI-AWEZNQCLSA-N 1 3 264.413 3.194 20 0 CGADHO C[C@@H](Cc1ccco1)[N@@H+](CCCN)C1CCCCC1 ZINC001258176250 807342668 /nfs/dbraw/zinc/34/26/68/807342668.db2.gz NIWRMDJRMUDSGI-AWEZNQCLSA-N 1 3 264.413 3.194 20 0 CGADHO C[C@H](Cc1ccco1)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001258184284 807349064 /nfs/dbraw/zinc/34/90/64/807349064.db2.gz XUXGSTAZFQRLAG-OAHLLOKOSA-N 1 3 284.403 3.161 20 0 CGADHO CSCC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258213418 807369851 /nfs/dbraw/zinc/36/98/51/807369851.db2.gz PAQDCGMZGVACDX-CQSZACIVSA-N 1 3 270.486 3.078 20 0 CGADHO Cn1ccc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc21 ZINC001168351088 807390955 /nfs/dbraw/zinc/39/09/55/807390955.db2.gz CDJLRATUKCHNHH-UHFFFAOYSA-N 1 3 297.446 3.142 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168396730 807403835 /nfs/dbraw/zinc/40/38/35/807403835.db2.gz IFNRFNUIGACCDH-QGZVFWFLSA-N 1 3 278.415 3.005 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001258330425 807413442 /nfs/dbraw/zinc/41/34/42/807413442.db2.gz AMYRDQATZJAOIE-AWEZNQCLSA-N 1 3 293.480 3.124 20 0 CGADHO CC[NH+](CC)CCCN[C@H]1Cc2cccc(Cl)c2C1 ZINC001168676617 807472432 /nfs/dbraw/zinc/47/24/32/807472432.db2.gz NZUHSUHODFYCQH-AWEZNQCLSA-N 1 3 280.843 3.129 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169096746 807573303 /nfs/dbraw/zinc/57/33/03/807573303.db2.gz YCAIUNXZXGBYCR-OSYLJGHBSA-N 1 3 288.435 3.189 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169101555 807577920 /nfs/dbraw/zinc/57/79/20/807577920.db2.gz UFIKJFKVXWAGGZ-KYHPRHEASA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101555 807577925 /nfs/dbraw/zinc/57/79/25/807577925.db2.gz UFIKJFKVXWAGGZ-KYHPRHEASA-N 1 3 270.420 3.197 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](C)C/C=C/c1ccccc1)C2 ZINC001169147045 807593111 /nfs/dbraw/zinc/59/31/11/807593111.db2.gz RTYJYMPOEBCIQY-RGKVLUKRSA-N 1 3 270.420 3.257 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C/C=C/c1ccccc1)C2 ZINC001169147045 807593114 /nfs/dbraw/zinc/59/31/14/807593114.db2.gz RTYJYMPOEBCIQY-RGKVLUKRSA-N 1 3 270.420 3.257 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCC(N2CCC2)CC1 ZINC001258752740 807593752 /nfs/dbraw/zinc/59/37/52/807593752.db2.gz GRMGIYHZWDJIDR-AWEZNQCLSA-N 1 3 292.854 3.441 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001258768514 807604370 /nfs/dbraw/zinc/60/43/70/807604370.db2.gz OLDRVPYYMDGEOB-IRXDYDNUSA-N 1 3 276.399 3.146 20 0 CGADHO CC[NH+](CC)C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC001258825158 807639822 /nfs/dbraw/zinc/63/98/22/807639822.db2.gz ZWHWYQMALUDNMV-GOEBONIOSA-N 1 3 252.446 3.371 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCC(=O)c1ccc(C)cc1 ZINC001258901909 807670276 /nfs/dbraw/zinc/67/02/76/807670276.db2.gz PRYJSGYYYHYOPZ-MRXNPFEDSA-N 1 3 290.451 3.278 20 0 CGADHO COCCC1([NH3+])CCN([C@@H](C)CCCC(C)C)CC1 ZINC001170070105 807746775 /nfs/dbraw/zinc/74/67/75/807746775.db2.gz CPWGFIMKJFPSAG-HNNXBMFYSA-N 1 3 270.461 3.031 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090505 807754384 /nfs/dbraw/zinc/75/43/84/807754384.db2.gz LVDJSYYDHXJEBG-ZACQAIPSSA-N 1 3 266.473 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CCCC(C)C)C[C@@H]2C1 ZINC001170090505 807754387 /nfs/dbraw/zinc/75/43/87/807754387.db2.gz LVDJSYYDHXJEBG-ZACQAIPSSA-N 1 3 266.473 3.475 20 0 CGADHO C[C@H]1CC[C@@H](N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001170116365 807762861 /nfs/dbraw/zinc/76/28/61/807762861.db2.gz FFGLITKSVYGKRJ-XJKSGUPXSA-N 1 3 276.399 3.264 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCO1 ZINC001170179552 807787376 /nfs/dbraw/zinc/78/73/76/807787376.db2.gz WNAHFDIFLOTOCS-ZFWWWQNUSA-N 1 3 282.472 3.185 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccccc1Cl ZINC001170250643 807804466 /nfs/dbraw/zinc/80/44/66/807804466.db2.gz QIGZOLJFRXORTR-CYBMUJFWSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccccc1Cl ZINC001170250643 807804474 /nfs/dbraw/zinc/80/44/74/807804474.db2.gz QIGZOLJFRXORTR-CYBMUJFWSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)N(CCC[NH3+])[C@H](C)Cc1ccccc1Cl ZINC001170250643 807804483 /nfs/dbraw/zinc/80/44/83/807804483.db2.gz QIGZOLJFRXORTR-CYBMUJFWSA-N 1 3 268.832 3.330 20 0 CGADHO Cc1ccc(N[C@H](N)CCC[NH3+])cc1OCc1ccccc1 ZINC001170903716 807930080 /nfs/dbraw/zinc/93/00/80/807930080.db2.gz KJYJCKBIFGYQHR-SFHVURJKSA-N 1 3 299.418 3.010 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCc2cccc(O)c2)CC1(C)C ZINC001171620185 808106757 /nfs/dbraw/zinc/10/67/57/808106757.db2.gz XTCJJIBHIHDVNR-UHFFFAOYSA-N 1 3 290.451 3.176 20 0 CGADHO CC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171629189 808107882 /nfs/dbraw/zinc/10/78/82/808107882.db2.gz PANHKLIMAIVOSG-UHFFFAOYSA-N 1 3 252.446 3.370 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCCOC(C)(C)C)CC1(C)C ZINC001171627229 808108294 /nfs/dbraw/zinc/10/82/94/808108294.db2.gz NMYMMIXSWXBYOP-UHFFFAOYSA-N 1 3 284.488 3.433 20 0 CGADHO CC(C)O[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641629 808111871 /nfs/dbraw/zinc/11/18/71/808111871.db2.gz RBNVRHGAZBUOKS-OAHLLOKOSA-N 1 3 282.472 3.137 20 0 CGADHO CC(C)O[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641629 808111873 /nfs/dbraw/zinc/11/18/73/808111873.db2.gz RBNVRHGAZBUOKS-OAHLLOKOSA-N 1 3 282.472 3.137 20 0 CGADHO CCCC[N@H+](C)CCCN[C@H]1Cc2cccc(F)c2C1 ZINC001171774747 808135504 /nfs/dbraw/zinc/13/55/04/808135504.db2.gz DEBFCRIWOMLYFB-HNNXBMFYSA-N 1 3 278.415 3.005 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@H]1Cc2cccc(F)c2C1 ZINC001171774747 808135508 /nfs/dbraw/zinc/13/55/08/808135508.db2.gz DEBFCRIWOMLYFB-HNNXBMFYSA-N 1 3 278.415 3.005 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3ncccc13)C2 ZINC001172104417 808174203 /nfs/dbraw/zinc/17/42/03/808174203.db2.gz FSRTZFHEVOKYFC-BJWYYQGGSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3ncccc13)C2 ZINC001172104417 808174205 /nfs/dbraw/zinc/17/42/05/808174205.db2.gz FSRTZFHEVOKYFC-BJWYYQGGSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106508 808175600 /nfs/dbraw/zinc/17/56/00/808175600.db2.gz PTKQLDJRQGMUCL-KYHPRHEASA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3ccc(F)cc31)C2 ZINC001172106508 808175604 /nfs/dbraw/zinc/17/56/04/808175604.db2.gz PTKQLDJRQGMUCL-KYHPRHEASA-N 1 3 288.410 3.418 20 0 CGADHO Cc1ncccc1[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108498 808176135 /nfs/dbraw/zinc/17/61/35/808176135.db2.gz AQCZHYGAJPYFOF-SFNKJDCFSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1ncccc1[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108498 808176136 /nfs/dbraw/zinc/17/61/36/808176136.db2.gz AQCZHYGAJPYFOF-SFNKJDCFSA-N 1 3 299.462 3.446 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2CSc3ccccc3C2)CC1 ZINC001172190758 808192825 /nfs/dbraw/zinc/19/28/25/808192825.db2.gz NAUIYFBJXDSQEM-MRXNPFEDSA-N 1 3 290.476 3.167 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172314837 808225210 /nfs/dbraw/zinc/22/52/10/808225210.db2.gz FFVMKTQUYVFGJT-HZPDHXFCSA-N 1 3 272.477 3.292 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](CC)CC(C)C)C[C@H]2C1 ZINC001172404895 808293175 /nfs/dbraw/zinc/29/31/75/808293175.db2.gz NRUDJOIYZNRWAV-BZUAXINKSA-N 1 3 252.446 3.085 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2)C[C@H](C)CN)C1 ZINC001172925990 808483628 /nfs/dbraw/zinc/48/36/28/808483628.db2.gz MSONWMXUFMZYIZ-BPQIPLTHSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)C[C@H](C)CN)C1 ZINC001172925990 808483635 /nfs/dbraw/zinc/48/36/35/808483635.db2.gz MSONWMXUFMZYIZ-BPQIPLTHSA-N 1 3 290.451 3.041 20 0 CGADHO COC(=O)CCCC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001173437034 808634538 /nfs/dbraw/zinc/63/45/38/808634538.db2.gz HVYXNJOWXGFSRX-HNNXBMFYSA-N 1 3 298.471 3.092 20 0 CGADHO COC(=O)CCCC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001173437034 808634541 /nfs/dbraw/zinc/63/45/41/808634541.db2.gz HVYXNJOWXGFSRX-HNNXBMFYSA-N 1 3 298.471 3.092 20 0 CGADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061129 808903519 /nfs/dbraw/zinc/90/35/19/808903519.db2.gz CQPYYZJDZBSCIG-ZACQAIPSSA-N 1 3 289.467 3.205 20 0 CGADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061129 808903524 /nfs/dbraw/zinc/90/35/24/808903524.db2.gz CQPYYZJDZBSCIG-ZACQAIPSSA-N 1 3 289.467 3.205 20 0 CGADHO c1cc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)co1 ZINC001275945361 808979348 /nfs/dbraw/zinc/97/93/48/808979348.db2.gz IYFBKYXBUSSINA-UHFFFAOYSA-N 1 3 274.408 3.120 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001276031393 808984728 /nfs/dbraw/zinc/98/47/28/808984728.db2.gz IOLUBEUFXXSAIW-SOLBZPMBSA-N 1 3 276.468 3.373 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001276031393 808984729 /nfs/dbraw/zinc/98/47/29/808984729.db2.gz IOLUBEUFXXSAIW-SOLBZPMBSA-N 1 3 276.468 3.373 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc3[nH]ccc31)C2 ZINC001276233015 808994171 /nfs/dbraw/zinc/99/41/71/808994171.db2.gz PUPQJJSXZCROSJ-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc3[nH]ccc31)C2 ZINC001276233015 808994175 /nfs/dbraw/zinc/99/41/75/808994175.db2.gz PUPQJJSXZCROSJ-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO CC[NH+]1CCC(CN2CCc3cccc(F)c3[C@H]2C)CC1 ZINC001180238798 809985593 /nfs/dbraw/zinc/98/55/93/809985593.db2.gz BTANTIUASNRODI-CQSZACIVSA-N 1 3 290.426 3.477 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCN(CC)CC)C1 ZINC001184418921 810199069 /nfs/dbraw/zinc/19/90/69/810199069.db2.gz VDVFKPKAQUMRGR-ARFHVFGLSA-N 1 3 270.461 3.044 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001201442213 811850098 /nfs/dbraw/zinc/85/00/98/811850098.db2.gz UVHSDMXTVUJLOT-ROUUACIJSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001201442213 811850105 /nfs/dbraw/zinc/85/01/05/811850105.db2.gz UVHSDMXTVUJLOT-ROUUACIJSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC001201558201 811903664 /nfs/dbraw/zinc/90/36/64/811903664.db2.gz QXXOIMAXTGXHRO-ARFHVFGLSA-N 1 3 252.446 3.133 20 0 CGADHO CSCCCN(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001201697496 811939570 /nfs/dbraw/zinc/93/95/70/811939570.db2.gz FWQPIHJNXBDJGJ-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO CSCCC[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001201697496 811939574 /nfs/dbraw/zinc/93/95/74/811939574.db2.gz FWQPIHJNXBDJGJ-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO CSCCC[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001201697496 811939578 /nfs/dbraw/zinc/93/95/78/811939578.db2.gz FWQPIHJNXBDJGJ-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO CCCCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717255 811946163 /nfs/dbraw/zinc/94/61/63/811946163.db2.gz IPSQGVJEGRFBFL-ZWKOTPCHSA-N 1 3 272.436 3.240 20 0 CGADHO CCCCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717255 811946168 /nfs/dbraw/zinc/94/61/68/811946168.db2.gz IPSQGVJEGRFBFL-ZWKOTPCHSA-N 1 3 272.436 3.240 20 0 CGADHO Cn1ccnc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204087044 812545791 /nfs/dbraw/zinc/54/57/91/812545791.db2.gz KGALOAVKJNXQMW-UHFFFAOYSA-N 1 3 270.380 3.150 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001204165588 812560715 /nfs/dbraw/zinc/56/07/15/812560715.db2.gz GZNFJVRBXGNXDF-UHFFFAOYSA-N 1 3 298.352 3.233 20 0 CGADHO C[N@H+](CCN)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001204698595 812711510 /nfs/dbraw/zinc/71/15/10/812711510.db2.gz AISHTIQJQITABD-UHFFFAOYSA-N 1 3 274.795 3.398 20 0 CGADHO C[N@@H+](CCN)Cc1ccccc1-c1ccc(Cl)cc1 ZINC001204698595 812711513 /nfs/dbraw/zinc/71/15/13/812711513.db2.gz AISHTIQJQITABD-UHFFFAOYSA-N 1 3 274.795 3.398 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1CCCCCOCc1ccccc1 ZINC001205058180 812840979 /nfs/dbraw/zinc/84/09/79/812840979.db2.gz FUSGYFDMLXHVBG-WMZOPIPTSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1CCCc1ccc(Cl)cc1 ZINC001205057940 812841623 /nfs/dbraw/zinc/84/16/23/812841623.db2.gz AJHSALWBTQKSSJ-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO CCCOc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205266761 812922309 /nfs/dbraw/zinc/92/23/09/812922309.db2.gz XLOQFMKBBHTLNC-KRWDZBQOSA-N 1 3 276.424 3.179 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205296099 812936205 /nfs/dbraw/zinc/93/62/05/812936205.db2.gz GREPWKSLYJYLCB-YJBOKZPZSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC001205296099 812936207 /nfs/dbraw/zinc/93/62/07/812936207.db2.gz GREPWKSLYJYLCB-YJBOKZPZSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC001205296099 812936213 /nfs/dbraw/zinc/93/62/13/812936213.db2.gz GREPWKSLYJYLCB-YJBOKZPZSA-N 1 3 274.452 3.269 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@@H](C)[C@H](CN)C2)C1(C)C ZINC001205297139 812937364 /nfs/dbraw/zinc/93/73/64/812937364.db2.gz ZWGQXLTZAQUGMF-FVQBIDKESA-N 1 3 264.457 3.286 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C)[C@H](CN)C2)C1(C)C ZINC001205297139 812937368 /nfs/dbraw/zinc/93/73/68/812937368.db2.gz ZWGQXLTZAQUGMF-FVQBIDKESA-N 1 3 264.457 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205602662 813019015 /nfs/dbraw/zinc/01/90/15/813019015.db2.gz LDYQIQFKFHQVLW-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(F)c2Cl)CC[C@H]1C[NH3+] ZINC001205626300 813031468 /nfs/dbraw/zinc/03/14/68/813031468.db2.gz FNWSESLJMPCTPG-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO COc1cc(Cl)ccc1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205636118 813036600 /nfs/dbraw/zinc/03/66/00/813036600.db2.gz CGVZLUNDHXHKFZ-QWHCGFSZSA-N 1 3 296.842 3.155 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)C[C@@]1(C)CCCS1 ZINC001205684179 813052250 /nfs/dbraw/zinc/05/22/50/813052250.db2.gz DLEOYCVHYFWHQO-OAHLLOKOSA-N 1 3 272.502 3.326 20 0 CGADHO CCN(CCC[NH+](CC)CC)C[C@@]1(C)CCCS1 ZINC001205684179 813052259 /nfs/dbraw/zinc/05/22/59/813052259.db2.gz DLEOYCVHYFWHQO-OAHLLOKOSA-N 1 3 272.502 3.326 20 0 CGADHO CCN(CC)CCC[N@H+](CC)C[C@@]1(C)CCCS1 ZINC001205684179 813052241 /nfs/dbraw/zinc/05/22/41/813052241.db2.gz DLEOYCVHYFWHQO-OAHLLOKOSA-N 1 3 272.502 3.326 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205916098 813132629 /nfs/dbraw/zinc/13/26/29/813132629.db2.gz RTDOJPXYWJTNPA-RHSMWYFYSA-N 1 3 260.425 3.369 20 0 CGADHO C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206004801 813162083 /nfs/dbraw/zinc/16/20/83/813162083.db2.gz VPFCYLDVLZMGEN-WCQYABFASA-N 1 3 284.806 3.286 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2csc3ccccc23)CC[C@H]1F ZINC001206174082 813226722 /nfs/dbraw/zinc/22/67/22/813226722.db2.gz LVGAPIJHEBHISO-ZIAGYGMSSA-N 1 3 278.396 3.163 20 0 CGADHO CCCCc1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206189822 813233286 /nfs/dbraw/zinc/23/32/86/813233286.db2.gz XQWYINRZJIEQFJ-IAGOWNOFSA-N 1 3 278.415 3.290 20 0 CGADHO CCSc1ccccc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206212953 813242980 /nfs/dbraw/zinc/24/29/80/813242980.db2.gz TZUGEFSGJXRBIE-KBPBESRZSA-N 1 3 282.428 3.060 20 0 CGADHO CCSc1ccccc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206212953 813242983 /nfs/dbraw/zinc/24/29/83/813242983.db2.gz TZUGEFSGJXRBIE-KBPBESRZSA-N 1 3 282.428 3.060 20 0 CGADHO [NH3+]CCC1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001206507036 813339591 /nfs/dbraw/zinc/33/95/91/813339591.db2.gz XVEOXJXYCBKMPP-UHFFFAOYSA-N 1 3 276.399 3.264 20 0 CGADHO COc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)c(C)c1C ZINC001206541858 813345121 /nfs/dbraw/zinc/34/51/21/813345121.db2.gz LZUARDSUFRHHRH-GOSISDBHSA-N 1 3 290.451 3.263 20 0 CGADHO Cc1cc(CN2CCCC[C@](C)(C[NH3+])C2)c(C)s1 ZINC001206548811 813349126 /nfs/dbraw/zinc/34/91/26/813349126.db2.gz JHQFDCRZJZKGEY-OAHLLOKOSA-N 1 3 266.454 3.316 20 0 CGADHO CC(C)Oc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206549833 813349805 /nfs/dbraw/zinc/34/98/05/813349805.db2.gz QNSUKEQMIBQMDA-GOSISDBHSA-N 1 3 290.451 3.425 20 0 CGADHO CC(C)N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206582981 813362131 /nfs/dbraw/zinc/36/21/31/813362131.db2.gz RBVXJXWXFXLCAK-MRXNPFEDSA-N 1 3 264.388 3.178 20 0 CGADHO CC(C)[N@H+](C[C@H]1CC=CCC1)[C@H]1CCCNCC1 ZINC001206583737 813363861 /nfs/dbraw/zinc/36/38/61/813363861.db2.gz VYHBNIJTUIHCAN-HOTGVXAUSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)[N@@H+](C[C@H]1CC=CCC1)[C@H]1CCCNCC1 ZINC001206583737 813363868 /nfs/dbraw/zinc/36/38/68/813363868.db2.gz VYHBNIJTUIHCAN-HOTGVXAUSA-N 1 3 250.430 3.195 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(CCCc2ccccc2Cl)C1 ZINC001206606571 813372498 /nfs/dbraw/zinc/37/24/98/813372498.db2.gz PRVPVMHFRSNZGU-AWEZNQCLSA-N 1 3 280.843 3.333 20 0 CGADHO CCCCOc1cccc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206617013 813375434 /nfs/dbraw/zinc/37/54/34/813375434.db2.gz XTNQKJDCEFYVFX-KRWDZBQOSA-N 1 3 290.451 3.426 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001206760746 813425434 /nfs/dbraw/zinc/42/54/34/813425434.db2.gz LCNKYGVRAXSDCJ-NVXWUHKLSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001206760746 813425439 /nfs/dbraw/zinc/42/54/39/813425439.db2.gz LCNKYGVRAXSDCJ-NVXWUHKLSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206760746 813425443 /nfs/dbraw/zinc/42/54/43/813425443.db2.gz LCNKYGVRAXSDCJ-NVXWUHKLSA-N 1 3 274.452 3.412 20 0 CGADHO C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccc2ccsc2c1 ZINC001206806596 813442411 /nfs/dbraw/zinc/44/24/11/813442411.db2.gz GVHUCYFHBLFGDN-GXTWGEPZSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)N(C)C ZINC001206827232 813446800 /nfs/dbraw/zinc/44/68/00/813446800.db2.gz KPOCIKXJDVRDAY-BPQIPLTHSA-N 1 3 274.452 3.427 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)CCc1ccccc1Cl ZINC001207285229 813535396 /nfs/dbraw/zinc/53/53/96/813535396.db2.gz DNROBLQZPBGMRM-UHFFFAOYSA-N 1 3 282.859 3.402 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)CCc1ccccc1Cl ZINC001207285229 813535400 /nfs/dbraw/zinc/53/54/00/813535400.db2.gz DNROBLQZPBGMRM-UHFFFAOYSA-N 1 3 282.859 3.402 20 0 CGADHO CC[C@H]1CO[C@](C)(CCC(C)C)N1CC1CC[NH2+]CC1 ZINC001207439636 813565615 /nfs/dbraw/zinc/56/56/15/813565615.db2.gz WQBGHEQJWXFYFD-DLBZAZTESA-N 1 3 282.472 3.249 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001207522243 813586116 /nfs/dbraw/zinc/58/61/16/813586116.db2.gz CBPJYPCCQMYWEN-RTBURBONSA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001207522243 813586118 /nfs/dbraw/zinc/58/61/18/813586118.db2.gz CBPJYPCCQMYWEN-RTBURBONSA-N 1 3 286.463 3.379 20 0 CGADHO CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001208172275 813726411 /nfs/dbraw/zinc/72/64/11/813726411.db2.gz AISRTGPRHFCKCE-HZPDHXFCSA-N 1 3 262.441 3.006 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CCC(c3ccccc3F)CC2)C1 ZINC001208607834 813774296 /nfs/dbraw/zinc/77/42/96/813774296.db2.gz NQNHJMFQSJQJGD-HNNXBMFYSA-N 1 3 290.426 3.347 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CCC(c3ccccc3F)CC2)C1 ZINC001208607834 813774298 /nfs/dbraw/zinc/77/42/98/813774298.db2.gz NQNHJMFQSJQJGD-HNNXBMFYSA-N 1 3 290.426 3.347 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CC=C(c3ccccc3)CC2)C1 ZINC001208617545 813777049 /nfs/dbraw/zinc/77/70/49/813777049.db2.gz PWIQCAMWTWCPFJ-MRXNPFEDSA-N 1 3 270.420 3.118 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CC=C(c3ccccc3)CC2)C1 ZINC001208617545 813777056 /nfs/dbraw/zinc/77/70/56/813777056.db2.gz PWIQCAMWTWCPFJ-MRXNPFEDSA-N 1 3 270.420 3.118 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209422851 814024777 /nfs/dbraw/zinc/02/47/77/814024777.db2.gz YUINEPFXBXHUJL-QAPCUYQASA-N 1 3 284.447 3.165 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422851 814024783 /nfs/dbraw/zinc/02/47/83/814024783.db2.gz YUINEPFXBXHUJL-QAPCUYQASA-N 1 3 284.447 3.165 20 0 CGADHO CC1(C)OCCC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209454718 814048179 /nfs/dbraw/zinc/04/81/79/814048179.db2.gz SKPUVDJFFHDSNN-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO Cc1cc(N)[nH+]cc1Nc1ccncc1Oc1ccccc1 ZINC001209962548 814214907 /nfs/dbraw/zinc/21/49/07/814214907.db2.gz WVRIBJOFPUQTLS-UHFFFAOYSA-N 1 3 292.342 3.325 20 0 CGADHO CC(C)P(CCNC(=O)c1ccccc1C[NH3+])C(C)C ZINC001221257131 816308116 /nfs/dbraw/zinc/30/81/16/816308116.db2.gz YYHROKAXEBDVIJ-UHFFFAOYSA-N 1 3 294.379 3.174 20 0 CGADHO Cc1c(F)cccc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222310441 816404999 /nfs/dbraw/zinc/40/49/99/816404999.db2.gz VOJIPRWCFQSLOT-QGZVFWFLSA-N 1 3 276.399 3.242 20 0 CGADHO Cc1csc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222601934 816476762 /nfs/dbraw/zinc/47/67/62/816476762.db2.gz DLTQKFLQTHJDEE-QGZVFWFLSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1csc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222601934 816476769 /nfs/dbraw/zinc/47/67/69/816476769.db2.gz DLTQKFLQTHJDEE-QGZVFWFLSA-N 1 3 298.455 3.246 20 0 CGADHO CC(C)Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001231790022 818176435 /nfs/dbraw/zinc/17/64/35/818176435.db2.gz OCWHXWKBYYXWOD-UHFFFAOYSA-N 1 3 286.463 3.413 20 0 CGADHO CC(C)Cc1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001231790309 818177373 /nfs/dbraw/zinc/17/73/73/818177373.db2.gz QOQJNPHUTWYKDQ-UHFFFAOYSA-N 1 3 286.463 3.413 20 0 CGADHO Cc1ccc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)cc1C ZINC001235042574 818988030 /nfs/dbraw/zinc/98/80/30/818988030.db2.gz XQZSDYBAPFYKFX-SFHVURJKSA-N 1 3 272.436 3.412 20 0 CGADHO CCCC[C@@H](CC)CN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225920 819039818 /nfs/dbraw/zinc/03/98/18/819039818.db2.gz WGWKZSVLGRQEHK-RDBSUJKOSA-N 1 3 292.389 3.287 20 0 CGADHO c1ccc(C(C[N@@H+]2C[C@@H]3CNCC[C@H]32)c2ccccc2)cc1 ZINC001235254455 819051216 /nfs/dbraw/zinc/05/12/16/819051216.db2.gz BSFHRGKEDYGQOM-AZUAARDMSA-N 1 3 292.426 3.112 20 0 CGADHO c1ccc(C(C[N@H+]2C[C@@H]3CNCC[C@H]32)c2ccccc2)cc1 ZINC001235254455 819051224 /nfs/dbraw/zinc/05/12/24/819051224.db2.gz BSFHRGKEDYGQOM-AZUAARDMSA-N 1 3 292.426 3.112 20 0 CGADHO Cc1cccc(CN2CCC(C3C[NH2+]C3)CC2)c1Cl ZINC001235338233 819070536 /nfs/dbraw/zinc/07/05/36/819070536.db2.gz DYVWRMIBCDLUEZ-UHFFFAOYSA-N 1 3 278.827 3.080 20 0 CGADHO Cc1ccc(Cl)c(CN2CC[C@H](C3C[NH2+]C3)C2)c1Cl ZINC001235342147 819072709 /nfs/dbraw/zinc/07/27/09/819072709.db2.gz TXMMMFMISMPNPR-NSHDSACASA-N 1 3 299.245 3.343 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F)CC(C)(C)C ZINC001235402346 819086471 /nfs/dbraw/zinc/08/64/71/819086471.db2.gz IYGIUFZEOUNFOZ-VYDXJSESSA-N 1 3 284.463 3.472 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F)CC(C)(C)C ZINC001235402346 819086479 /nfs/dbraw/zinc/08/64/79/819086479.db2.gz IYGIUFZEOUNFOZ-VYDXJSESSA-N 1 3 284.463 3.472 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406475 819087222 /nfs/dbraw/zinc/08/72/22/819087222.db2.gz PUWIRBAGKNJQDL-OALUTQOASA-N 1 3 298.405 3.315 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406475 819087226 /nfs/dbraw/zinc/08/72/26/819087226.db2.gz PUWIRBAGKNJQDL-OALUTQOASA-N 1 3 298.405 3.315 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@H+](CCCC1CCCCC1)C2 ZINC001235405461 819087797 /nfs/dbraw/zinc/08/77/97/819087797.db2.gz PAEFYELEXMDTCH-DLBZAZTESA-N 1 3 282.447 3.370 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405461 819087803 /nfs/dbraw/zinc/08/78/03/819087803.db2.gz PAEFYELEXMDTCH-DLBZAZTESA-N 1 3 282.447 3.370 20 0 CGADHO F[C@H]1CC[NH2+]C[C@@]12CCN(CCCC1CCCCC1)C2 ZINC001235405461 819087806 /nfs/dbraw/zinc/08/78/06/819087806.db2.gz PAEFYELEXMDTCH-DLBZAZTESA-N 1 3 282.447 3.370 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407690 819088611 /nfs/dbraw/zinc/08/86/11/819088611.db2.gz SWRBFEGFCRDPPA-OALUTQOASA-N 1 3 298.405 3.363 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407690 819088616 /nfs/dbraw/zinc/08/86/16/819088616.db2.gz SWRBFEGFCRDPPA-OALUTQOASA-N 1 3 298.405 3.363 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@@H](CN)C2)C1(C)C ZINC001235673581 819134199 /nfs/dbraw/zinc/13/41/99/819134199.db2.gz OVNGKRSZORJFKC-LSDHHAIUSA-N 1 3 250.430 3.040 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@@H](CN)C2)C1(C)C ZINC001235673581 819134204 /nfs/dbraw/zinc/13/42/04/819134204.db2.gz OVNGKRSZORJFKC-LSDHHAIUSA-N 1 3 250.430 3.040 20 0 CGADHO Cc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)cc1F ZINC001235700998 819146060 /nfs/dbraw/zinc/14/60/60/819146060.db2.gz BHFKWTZBNKAYQY-UHFFFAOYSA-N 1 3 290.426 3.346 20 0 CGADHO COc1c(Cl)cccc1CN(C)CCC1CC[NH2+]CC1 ZINC001235716907 819150345 /nfs/dbraw/zinc/15/03/45/819150345.db2.gz MGCLQMIGXLSHCR-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO [NH3+]Cc1cccc(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC001235813505 819173732 /nfs/dbraw/zinc/17/37/32/819173732.db2.gz XFOKEJHXBYBFLE-GOSISDBHSA-N 1 3 298.455 3.435 20 0 CGADHO COc1cc(C)c(CN2CCC[C@H]2CC[NH3+])cc1C(C)C ZINC001235925308 819224407 /nfs/dbraw/zinc/22/44/07/819224407.db2.gz GZMSSVIZJVESDM-INIZCTEOSA-N 1 3 290.451 3.440 20 0 CGADHO CC(C)[N@H+](CCN)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235947315 819235942 /nfs/dbraw/zinc/23/59/42/819235942.db2.gz JUROZTFWUVFIKV-UHFFFAOYSA-N 1 3 280.415 3.427 20 0 CGADHO CC(C)[N@@H+](CCN)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235947315 819235947 /nfs/dbraw/zinc/23/59/47/819235947.db2.gz JUROZTFWUVFIKV-UHFFFAOYSA-N 1 3 280.415 3.427 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N(C)CC1(F)CC[NH2+]CC1 ZINC001235949544 819240547 /nfs/dbraw/zinc/24/05/47/819240547.db2.gz OMINNSUZNBFVDV-GFCCVEGCSA-N 1 3 284.806 3.425 20 0 CGADHO CC/C=C\CCCCC[N@H+](C)C[C@H]1CCCNC1 ZINC001235951374 819241127 /nfs/dbraw/zinc/24/11/27/819241127.db2.gz RPKGWROZJUNNQV-AWFCHZOYSA-N 1 3 252.446 3.444 20 0 CGADHO CC/C=C\CCCCC[N@@H+](C)C[C@H]1CCCNC1 ZINC001235951374 819241133 /nfs/dbraw/zinc/24/11/33/819241133.db2.gz RPKGWROZJUNNQV-AWFCHZOYSA-N 1 3 252.446 3.444 20 0 CGADHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(Cc1cccc3sccc31)C2 ZINC001235960716 819248825 /nfs/dbraw/zinc/24/88/25/819248825.db2.gz XPIDCKGJPZGIRU-YWVIFJGQSA-N 1 3 272.417 3.070 20 0 CGADHO CCN(Cc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235964023 819252478 /nfs/dbraw/zinc/25/24/78/819252478.db2.gz XGCDRAQTKVGIGJ-UHFFFAOYSA-N 1 3 284.378 3.451 20 0 CGADHO Cc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)o1 ZINC001235974397 819254707 /nfs/dbraw/zinc/25/47/07/819254707.db2.gz LBJGPCZGGJSIAQ-UHFFFAOYSA-N 1 3 296.414 3.225 20 0 CGADHO Cc1cc(C)c(Cl)c(CN(C)CCCC[NH3+])c1 ZINC001236141036 819340600 /nfs/dbraw/zinc/34/06/00/819340600.db2.gz DFKCUQZOELVPBQ-UHFFFAOYSA-N 1 3 254.805 3.128 20 0 CGADHO Cc1ccc2c(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c[nH]c2c1 ZINC001236210490 819371461 /nfs/dbraw/zinc/37/14/61/819371461.db2.gz CWSVIIAKVIBUGP-WBVHZDCISA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2c(C[N@H+](C)[C@H]3CCCC[C@H]3N)c[nH]c2c1 ZINC001236210490 819371465 /nfs/dbraw/zinc/37/14/65/819371465.db2.gz CWSVIIAKVIBUGP-WBVHZDCISA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@H]1N ZINC001236213653 819375357 /nfs/dbraw/zinc/37/53/57/819375357.db2.gz OJCCMGOOJSFMFH-MOPGFXCFSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@H]1N ZINC001236213653 819375364 /nfs/dbraw/zinc/37/53/64/819375364.db2.gz OJCCMGOOJSFMFH-MOPGFXCFSA-N 1 3 295.430 3.450 20 0 CGADHO CC[C@@H](N)C[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268218 819410325 /nfs/dbraw/zinc/41/03/25/819410325.db2.gz BOSWHDDIGBQXIN-OAHLLOKOSA-N 1 3 278.465 3.122 20 0 CGADHO CC[C@@H](N)C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268218 819410330 /nfs/dbraw/zinc/41/03/30/819410330.db2.gz BOSWHDDIGBQXIN-OAHLLOKOSA-N 1 3 278.465 3.122 20 0 CGADHO Cc1c(Cl)ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236322352 819424762 /nfs/dbraw/zinc/42/47/62/819424762.db2.gz YWROMKJIXBDQQI-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO C[C@]1(CN)CC[N@H+](CCCCCc2ccccc2)C1 ZINC001236603690 819551103 /nfs/dbraw/zinc/55/11/03/819551103.db2.gz CJTUKHALCHMHPJ-QGZVFWFLSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@]1(CN)CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001236603690 819551107 /nfs/dbraw/zinc/55/11/07/819551107.db2.gz CJTUKHALCHMHPJ-QGZVFWFLSA-N 1 3 260.425 3.070 20 0 CGADHO Cc1ccc(-c2ccc(CN3CC[C@](C)(C[NH3+])C3)cc2)o1 ZINC001236603625 819551199 /nfs/dbraw/zinc/55/11/99/819551199.db2.gz BDEQCTRKZQWEKV-GOSISDBHSA-N 1 3 284.403 3.426 20 0 CGADHO c1ccc(CC[N@@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001237300997 819721072 /nfs/dbraw/zinc/72/10/72/819721072.db2.gz SBTCMXUXMXBXKI-UHFFFAOYSA-N 1 3 292.426 3.324 20 0 CGADHO c1ccc(CC[N@H+]2Cc3ccccc3C23CCNCC3)cc1 ZINC001237300997 819721075 /nfs/dbraw/zinc/72/10/75/819721075.db2.gz SBTCMXUXMXBXKI-UHFFFAOYSA-N 1 3 292.426 3.324 20 0 CGADHO CN(Cc1ccc(-c2ccccc2C[NH+](C)C)nc1)C1CC1 ZINC001239682497 820519155 /nfs/dbraw/zinc/51/91/55/820519155.db2.gz LSRJNUZFDIENSI-UHFFFAOYSA-N 1 3 295.430 3.404 20 0 CGADHO CCN(CC)Cc1cccc(-c2cncc(C[NH3+])c2)c1F ZINC001239809089 820624903 /nfs/dbraw/zinc/62/49/03/820624903.db2.gz OQDGTYLRVBDKJI-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO Nc1ccnc(-c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001240163209 820868375 /nfs/dbraw/zinc/86/83/75/820868375.db2.gz YKHNQKVUOVXAHH-UHFFFAOYSA-N 1 3 267.376 3.317 20 0 CGADHO CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCCNC1 ZINC001330187030 935274740 /nfs/dbraw/zinc/27/47/40/935274740.db2.gz WHNFJMVWWOZFET-KRWDZBQOSA-N 1 3 292.442 3.326 20 0 CGADHO CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H]1CCCNC1 ZINC001330187030 935274746 /nfs/dbraw/zinc/27/47/46/935274746.db2.gz WHNFJMVWWOZFET-KRWDZBQOSA-N 1 3 292.442 3.326 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852401 936936599 /nfs/dbraw/zinc/93/65/99/936936599.db2.gz LNXXWFCUMAVPRU-KGLIPLIRSA-N 1 3 268.351 3.374 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC001349911892 936968409 /nfs/dbraw/zinc/96/84/09/936968409.db2.gz SCJKGLKRQDNKMB-HIFRSBDPSA-N 1 3 288.439 3.052 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)CC(C)(C)C ZINC001459949123 928727599 /nfs/dbraw/zinc/72/75/99/928727599.db2.gz DXRYTIKYDBIMPJ-GJZGRUSLSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)CC(C)(C)C ZINC001459949123 928727604 /nfs/dbraw/zinc/72/76/04/928727604.db2.gz DXRYTIKYDBIMPJ-GJZGRUSLSA-N 1 3 254.462 3.475 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001459925743 937506668 /nfs/dbraw/zinc/50/66/68/937506668.db2.gz SRXBHPAGBDNSQW-TWMKSMIVSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ccccc1C1([NH2+]CC[C@H]2CCCN2C)CCC1 ZINC001460331090 937526959 /nfs/dbraw/zinc/52/69/59/937526959.db2.gz KQAFQMDSUDTHIX-MRXNPFEDSA-N 1 3 272.436 3.448 20 0 CGADHO Cc1cccc([C@H](C)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC001460559571 937534531 /nfs/dbraw/zinc/53/45/31/937534531.db2.gz JOQGZIOJCZYZBY-RYQLBKOJSA-N 1 3 272.436 3.330 20 0 CGADHO Cc1cccc([C@H](C)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1 ZINC001460559571 937534532 /nfs/dbraw/zinc/53/45/32/937534532.db2.gz JOQGZIOJCZYZBY-RYQLBKOJSA-N 1 3 272.436 3.330 20 0 CGADHO C[C@H]1CCN(Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000163474622 932002791 /nfs/dbraw/zinc/00/27/91/932002791.db2.gz AECGHRUSPWOPGX-KSSFIOAISA-N 1 3 268.404 3.257 20 0 CGADHO C[NH+]1CCC(NCc2cccc(CC3CCC3)c2)CC1 ZINC001461004040 937559116 /nfs/dbraw/zinc/55/91/16/937559116.db2.gz DXHPWHXVQOXIPI-UHFFFAOYSA-N 1 3 272.436 3.213 20 0 CGADHO Fc1ccc(/C=C\C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC001461049548 937561206 /nfs/dbraw/zinc/56/12/06/937561206.db2.gz FWFXQYWPQCWGFI-DSLCMKTCSA-N 1 3 274.383 3.055 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)Cc1coc2ccccc12)N(C)C ZINC001462464390 937643283 /nfs/dbraw/zinc/64/32/83/937643283.db2.gz CGXZNFICOIFSLH-UONOGXRCSA-N 1 3 274.408 3.294 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001462670004 937658293 /nfs/dbraw/zinc/65/82/93/937658293.db2.gz PGORSIXYBOFRGR-FDYHWXHSSA-N 1 3 278.362 3.037 20 0 CGADHO CCCCCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473759419 937820147 /nfs/dbraw/zinc/82/01/47/937820147.db2.gz FYXLOGMMLOBGQX-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001473759419 937820148 /nfs/dbraw/zinc/82/01/48/937820148.db2.gz FYXLOGMMLOBGQX-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC001473759419 937820150 /nfs/dbraw/zinc/82/01/50/937820150.db2.gz FYXLOGMMLOBGQX-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC001320689462 934089435 /nfs/dbraw/zinc/08/94/35/934089435.db2.gz FMMSIDIEGFLELX-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)(CNCCc1ccc(F)cc1F)C[NH+]1CCCC1 ZINC001320723863 934092825 /nfs/dbraw/zinc/09/28/25/934092825.db2.gz ZUCIUQBNSQQBTQ-UHFFFAOYSA-N 1 3 296.405 3.219 20 0 CGADHO CC(C)(C[NH2+]CCc1ccc(F)cc1F)CN1CCCC1 ZINC001320723863 934092835 /nfs/dbraw/zinc/09/28/35/934092835.db2.gz ZUCIUQBNSQQBTQ-UHFFFAOYSA-N 1 3 296.405 3.219 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001323904342 934437110 /nfs/dbraw/zinc/43/71/10/934437110.db2.gz NWHGHVQLUJWXMJ-GVDBMIGSSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001323904342 934437116 /nfs/dbraw/zinc/43/71/16/934437116.db2.gz NWHGHVQLUJWXMJ-GVDBMIGSSA-N 1 3 264.457 3.373 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1c(F)cccc1Cl ZINC001325743063 934925623 /nfs/dbraw/zinc/92/56/23/934925623.db2.gz JCIUWCPCCKPLGC-NHYWBVRUSA-N 1 3 284.806 3.129 20 0 CGADHO c1ccc([C@@H]2CSCCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC001333159935 935515460 /nfs/dbraw/zinc/51/54/60/935515460.db2.gz BGNKIZLYNPPIKD-WBVHZDCISA-N 1 3 290.476 3.166 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390485 936143055 /nfs/dbraw/zinc/14/30/55/936143055.db2.gz JYOKNBSPCNYTLA-PBHICJAKSA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390485 936143059 /nfs/dbraw/zinc/14/30/59/936143059.db2.gz JYOKNBSPCNYTLA-PBHICJAKSA-N 1 3 278.415 3.173 20 0 CGADHO CN(c1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001336397127 936191769 /nfs/dbraw/zinc/19/17/69/936191769.db2.gz WIKGDKZSTGYTNA-SFHVURJKSA-N 1 3 281.403 3.182 20 0 CGADHO CN(c1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001336397127 936191771 /nfs/dbraw/zinc/19/17/71/936191771.db2.gz WIKGDKZSTGYTNA-SFHVURJKSA-N 1 3 281.403 3.182 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C[C@H](C)O1 ZINC001474016109 937835511 /nfs/dbraw/zinc/83/55/11/937835511.db2.gz MHOBFHYWIWADSP-MEWRGDBZSA-N 1 3 294.483 3.044 20 0 CGADHO C1[C@H]2CCCC[C@H]2[C@H]1[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC001550475019 938166822 /nfs/dbraw/zinc/16/68/22/938166822.db2.gz PJHSDKRTGFITOQ-ZBRFXRBCSA-N 1 3 276.468 3.323 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001550540796 938167699 /nfs/dbraw/zinc/16/76/99/938167699.db2.gz LDARGUOFYMNUMT-IXDOHACOSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001550540796 938167700 /nfs/dbraw/zinc/16/77/00/938167700.db2.gz LDARGUOFYMNUMT-IXDOHACOSA-N 1 3 258.409 3.021 20 0 CGADHO Cc1nocc1[C@@H](C)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001550953012 938173110 /nfs/dbraw/zinc/17/31/10/938173110.db2.gz RZGFISBDDQTCSE-XEBKBJJBSA-N 1 3 277.412 3.041 20 0 CGADHO CC[N@H+](CCOc1ccccc1C)CC[C@@H]1CCCN1C ZINC001559927409 938239211 /nfs/dbraw/zinc/23/92/11/938239211.db2.gz RLJPFGHQMSJXAG-KRWDZBQOSA-N 1 3 290.451 3.180 20 0 CGADHO CC[N@@H+](CCOc1ccccc1C)CC[C@@H]1CCCN1C ZINC001559927409 938239212 /nfs/dbraw/zinc/23/92/12/938239212.db2.gz RLJPFGHQMSJXAG-KRWDZBQOSA-N 1 3 290.451 3.180 20 0 CGADHO CC[C@H](C)[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155928 938245581 /nfs/dbraw/zinc/24/55/81/938245581.db2.gz YCHNZZQKKKUNJD-SOUVJXGZSA-N 1 3 261.413 3.027 20 0 CGADHO CC[C@H](C)[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155928 938245582 /nfs/dbraw/zinc/24/55/82/938245582.db2.gz YCHNZZQKKKUNJD-SOUVJXGZSA-N 1 3 261.413 3.027 20 0 CGADHO CCC1(CC)[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C[C@@H]1OC ZINC001560751167 938273839 /nfs/dbraw/zinc/27/38/39/938273839.db2.gz PENVKXUMCDEAPZ-BBWFWOEESA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)C1(C[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC1 ZINC001560986860 938288123 /nfs/dbraw/zinc/28/81/23/938288123.db2.gz HBMUMWQUMKYNHP-HNNXBMFYSA-N 1 3 273.424 3.028 20 0 CGADHO CC(C)C1(C[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC1 ZINC001560986860 938288124 /nfs/dbraw/zinc/28/81/24/938288124.db2.gz HBMUMWQUMKYNHP-HNNXBMFYSA-N 1 3 273.424 3.028 20 0 CGADHO [NH3+][C@H]1CC[C@H](NCc2csc(-c3cccs3)n2)CC1 ZINC001580419339 960487841 /nfs/dbraw/zinc/48/78/41/960487841.db2.gz ADJVMYWPOUQVOY-XYPYZODXSA-N 1 3 293.461 3.231 20 0 CGADHO CC(C)C(C[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1)C(C)C ZINC001575428890 962376362 /nfs/dbraw/zinc/37/63/62/962376362.db2.gz OWOIKNQYZSKBCN-DOTOQJQBSA-N 1 3 266.473 3.366 20 0 CGADHO CC(C)C(C[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1)C(C)C ZINC001575428890 962376373 /nfs/dbraw/zinc/37/63/73/962376373.db2.gz OWOIKNQYZSKBCN-DOTOQJQBSA-N 1 3 266.473 3.366 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC001575423098 962376433 /nfs/dbraw/zinc/37/64/33/962376433.db2.gz PKBKMZRGYHXCEA-CVEARBPZSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001575423098 962376449 /nfs/dbraw/zinc/37/64/49/962376449.db2.gz PKBKMZRGYHXCEA-CVEARBPZSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)C[N@H+](CCc1ccccc1)C[C@H](CN)C(C)C ZINC001575594315 962400054 /nfs/dbraw/zinc/40/00/54/962400054.db2.gz WFXRZEMRFWWMOW-SFHVURJKSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)C[N@@H+](CCc1ccccc1)C[C@H](CN)C(C)C ZINC001575594315 962400072 /nfs/dbraw/zinc/40/00/72/962400072.db2.gz WFXRZEMRFWWMOW-SFHVURJKSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001575940959 962423047 /nfs/dbraw/zinc/42/30/47/962423047.db2.gz FTKLVTFSWGPKEF-YVECIDJPSA-N 1 3 276.346 3.004 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(C2CC2)c(C2CC2)c1 ZINC001576104526 962434048 /nfs/dbraw/zinc/43/40/48/962434048.db2.gz ZZOLMBYMYLKNIG-NEPJUHHUSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001576850873 962491140 /nfs/dbraw/zinc/49/11/40/962491140.db2.gz WXPXEMUAMYALBW-LEUOFYLZSA-N 1 3 272.436 3.300 20 0 CGADHO CCCCO[C@@H]1C[C@H](N(C)C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC001577463072 962540778 /nfs/dbraw/zinc/54/07/78/962540778.db2.gz JIIBWDIDGFPDKP-JZXOWHBKSA-N 1 3 296.499 3.292 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32CN)s1 ZINC001577608631 962552774 /nfs/dbraw/zinc/55/27/74/962552774.db2.gz JNSYDNGUVAQATQ-SWLSCSKDSA-N 1 3 264.438 3.014 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32CN)s1 ZINC001577608631 962552782 /nfs/dbraw/zinc/55/27/82/962552782.db2.gz JNSYDNGUVAQATQ-SWLSCSKDSA-N 1 3 264.438 3.014 20 0 CGADHO CCNc1ccccc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC001577901967 962566936 /nfs/dbraw/zinc/56/69/36/962566936.db2.gz FIZIWKXTNOZTTP-CQSZACIVSA-N 1 3 283.419 3.428 20 0 CGADHO CCOc1cccc(Cl)c1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001578194126 962571701 /nfs/dbraw/zinc/57/17/01/962571701.db2.gz IRQGNWCREVXLAJ-QWHCGFSZSA-N 1 3 296.842 3.155 20 0 CGADHO CCOc1cccc(Cl)c1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001578194127 962576656 /nfs/dbraw/zinc/57/66/56/962576656.db2.gz IRQGNWCREVXLAJ-STQMWFEESA-N 1 3 296.842 3.155 20 0 CGADHO CO[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1CCN)C1CCCCC1 ZINC001578909327 962600013 /nfs/dbraw/zinc/60/00/13/962600013.db2.gz VDWMMNGMTNZCBY-USXIJHARSA-N 1 3 282.472 3.031 20 0 CGADHO CO[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CCN)C1CCCCC1 ZINC001578909327 962600024 /nfs/dbraw/zinc/60/00/24/962600024.db2.gz VDWMMNGMTNZCBY-USXIJHARSA-N 1 3 282.472 3.031 20 0 CGADHO COc1cccc(CCC[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)c1 ZINC001579273894 962616873 /nfs/dbraw/zinc/61/68/73/962616873.db2.gz ILBCASUWOIAIBI-QAPCUYQASA-N 1 3 290.451 3.077 20 0 CGADHO COc1cccc(CCC[N@H+]2CCC[C@@H](C)[C@@H]2CCN)c1 ZINC001579273894 962616888 /nfs/dbraw/zinc/61/68/88/962616888.db2.gz ILBCASUWOIAIBI-QAPCUYQASA-N 1 3 290.451 3.077 20 0 CGADHO Cc1ccc(CN[C@@]2(C[NH3+])CCCC[C@H]2C)c(C)c1 ZINC001579696874 962653557 /nfs/dbraw/zinc/65/35/57/962653557.db2.gz KNQPRDKSTAXIAN-NVXWUHKLSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC001579738282 962663669 /nfs/dbraw/zinc/66/36/69/962663669.db2.gz LUIQPJBPAGGVRG-DOTOQJQBSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1cccc(NC2CCN(C[C@@H](C[NH3+])C(C)C)CC2)c1 ZINC001579767863 962671491 /nfs/dbraw/zinc/67/14/91/962671491.db2.gz LASIBGRMUOYSHJ-MRXNPFEDSA-N 1 3 289.467 3.102 20 0 CGADHO Cc1cccc(NC2CC[NH+](C[C@@H](CN)C(C)C)CC2)c1 ZINC001579767863 962671496 /nfs/dbraw/zinc/67/14/96/962671496.db2.gz LASIBGRMUOYSHJ-MRXNPFEDSA-N 1 3 289.467 3.102 20 0 CGADHO Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCCCN2)c1 ZINC001579759813 962672642 /nfs/dbraw/zinc/67/26/42/962672642.db2.gz YQDUFGWSGGSAHN-DOTOQJQBSA-N 1 3 260.425 3.048 20 0 CGADHO Fc1cccc(CCN2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC001580033156 962684865 /nfs/dbraw/zinc/68/48/65/962684865.db2.gz ABRHNXJIHVVSEG-FUHWJXTLSA-N 1 3 290.426 3.222 20 0 CGADHO NC[C@@]12C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]1CCCC2 ZINC001580254195 962709115 /nfs/dbraw/zinc/70/91/15/962709115.db2.gz ARYZLQHLDQMWFJ-HKUYNNGSSA-N 1 3 295.430 3.186 20 0 CGADHO NC[C@@]12C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]1CCCC2 ZINC001580254195 962709124 /nfs/dbraw/zinc/70/91/24/962709124.db2.gz ARYZLQHLDQMWFJ-HKUYNNGSSA-N 1 3 295.430 3.186 20 0 CGADHO [NH3+]CCCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC001580297035 962712458 /nfs/dbraw/zinc/71/24/58/962712458.db2.gz DJWBXMAXMXWSFF-UHFFFAOYSA-N 1 3 281.403 3.062 20 0 CGADHO C[NH2+]CC1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000063159021 290640826 /nfs/dbraw/zinc/64/08/26/290640826.db2.gz ZNSSCYBXEIDULF-GFCCVEGCSA-N 1 3 266.816 3.332 20 0 CGADHO C[NH2+]CC1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000063159012 290640861 /nfs/dbraw/zinc/64/08/61/290640861.db2.gz SNYJNUQMBYVRLV-GFCCVEGCSA-N 1 3 266.816 3.332 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[C@@H](C)N ZINC000422974758 529425632 /nfs/dbraw/zinc/42/56/32/529425632.db2.gz AHDBPNDPSQMYPU-TYNCELHUSA-N 1 3 268.832 3.377 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423476978 529453874 /nfs/dbraw/zinc/45/38/74/529453874.db2.gz SZFATZQUGLOATA-PWSUYJOCSA-N 1 3 290.329 3.016 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000125717892 187197256 /nfs/dbraw/zinc/19/72/56/187197256.db2.gz AOMKSEAUDMVMCK-MWDXBVQZSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccccc1O[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000125717892 187197257 /nfs/dbraw/zinc/19/72/57/187197257.db2.gz AOMKSEAUDMVMCK-MWDXBVQZSA-N 1 3 290.451 3.081 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142526 192056068 /nfs/dbraw/zinc/05/60/68/192056068.db2.gz FHEAETDQJVKMCW-CVEARBPZSA-N 1 3 290.451 3.304 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142526 192056070 /nfs/dbraw/zinc/05/60/70/192056070.db2.gz FHEAETDQJVKMCW-CVEARBPZSA-N 1 3 290.451 3.304 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142526 192056072 /nfs/dbraw/zinc/05/60/72/192056072.db2.gz FHEAETDQJVKMCW-CVEARBPZSA-N 1 3 290.451 3.304 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484021 529569448 /nfs/dbraw/zinc/56/94/48/529569448.db2.gz YDERNTLWFILGNZ-QZTJIDSGSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423226546 529605891 /nfs/dbraw/zinc/60/58/91/529605891.db2.gz RCZHHNPPOOEFCD-GWCFXTLKSA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@H](NC[C@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423300619 529617703 /nfs/dbraw/zinc/61/77/03/529617703.db2.gz SBVGLEFIWNLTQN-MFKMUULPSA-N 1 3 285.229 3.085 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2CCCC[C@H]2C)ccn1 ZINC000623357990 349788490 /nfs/dbraw/zinc/78/84/90/349788490.db2.gz KSKUTBVPODIQLP-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)ccn1 ZINC000623357990 349788491 /nfs/dbraw/zinc/78/84/91/349788491.db2.gz KSKUTBVPODIQLP-MRXNPFEDSA-N 1 3 275.440 3.134 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2ccccc2Cl)CC1(C)C ZINC000623383460 349795559 /nfs/dbraw/zinc/79/55/59/349795559.db2.gz VNOAAJPUCZFJFT-AWEZNQCLSA-N 1 3 280.843 3.345 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2ccccc2Cl)CC1(C)C ZINC000623383460 349795564 /nfs/dbraw/zinc/79/55/64/349795564.db2.gz VNOAAJPUCZFJFT-AWEZNQCLSA-N 1 3 280.843 3.345 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000126541512 187246982 /nfs/dbraw/zinc/24/69/82/187246982.db2.gz GUCGDTRULUMNKI-KSSFIOAISA-N 1 3 270.420 3.056 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000126541512 187246984 /nfs/dbraw/zinc/24/69/84/187246984.db2.gz GUCGDTRULUMNKI-KSSFIOAISA-N 1 3 270.420 3.056 20 0 CGADHO CCC(CC)[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000358336036 282274058 /nfs/dbraw/zinc/27/40/58/282274058.db2.gz BLENGVRJKKHEMO-BBWFWOEESA-N 1 3 282.472 3.044 20 0 CGADHO CCC(CC)[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000358336036 282274063 /nfs/dbraw/zinc/27/40/63/282274063.db2.gz BLENGVRJKKHEMO-BBWFWOEESA-N 1 3 282.472 3.044 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423270263 529722472 /nfs/dbraw/zinc/72/24/72/529722472.db2.gz HZTMZSAVHMXNPI-SCRDCRAPSA-N 1 3 266.454 3.479 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)s1 ZINC000423270263 529722474 /nfs/dbraw/zinc/72/24/74/529722474.db2.gz HZTMZSAVHMXNPI-SCRDCRAPSA-N 1 3 266.454 3.479 20 0 CGADHO CO[C@@](C)(CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538703 349829567 /nfs/dbraw/zinc/82/95/67/349829567.db2.gz QSJIIYSPYNBXLE-WMZOPIPTSA-N 1 3 290.451 3.011 20 0 CGADHO CO[C@@](C)(CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538703 349829571 /nfs/dbraw/zinc/82/95/71/349829571.db2.gz QSJIIYSPYNBXLE-WMZOPIPTSA-N 1 3 290.451 3.011 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623575325 349839916 /nfs/dbraw/zinc/83/99/16/349839916.db2.gz VNXRBQOFMOZAPY-KCMWZYNZSA-N 1 3 276.468 3.133 20 0 CGADHO Cc1cccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000351565923 219129146 /nfs/dbraw/zinc/12/91/46/219129146.db2.gz ATWVONFSSDZGOZ-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1cccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000351565923 219129147 /nfs/dbraw/zinc/12/91/47/219129147.db2.gz ATWVONFSSDZGOZ-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CCCCO1 ZINC000623879794 349904401 /nfs/dbraw/zinc/90/44/01/349904401.db2.gz OJFGDIIVIJTTKT-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCCO1 ZINC000623879794 349904404 /nfs/dbraw/zinc/90/44/04/349904404.db2.gz OJFGDIIVIJTTKT-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H]2CCCc3scnc32)CC1 ZINC000623899788 349910080 /nfs/dbraw/zinc/91/00/80/349910080.db2.gz SGRDIBOTARIXDW-CQSZACIVSA-N 1 3 293.480 3.232 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437589697 529980591 /nfs/dbraw/zinc/98/05/91/529980591.db2.gz LAXYOVKAYFMKNQ-CYBMUJFWSA-N 1 3 289.398 3.081 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437589697 529980593 /nfs/dbraw/zinc/98/05/93/529980593.db2.gz LAXYOVKAYFMKNQ-CYBMUJFWSA-N 1 3 289.398 3.081 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000423281886 529986260 /nfs/dbraw/zinc/98/62/60/529986260.db2.gz VWCVEAZBBQUTRY-NVXWUHKLSA-N 1 3 262.441 3.007 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cccc3ccoc32)CC1 ZINC000449264374 530051145 /nfs/dbraw/zinc/05/11/45/530051145.db2.gz LWGNVWRZDSPHFP-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cccc3ccoc32)CC1 ZINC000449264374 530051146 /nfs/dbraw/zinc/05/11/46/530051146.db2.gz LWGNVWRZDSPHFP-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO COc1ccc([C@H](NC[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000044533374 345012698 /nfs/dbraw/zinc/01/26/98/345012698.db2.gz LGHUHRRNRCXRIY-KBXCAEBGSA-N 1 3 288.435 3.078 20 0 CGADHO COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C)C2)C2CC2)cc1 ZINC000044533374 345012700 /nfs/dbraw/zinc/01/27/00/345012700.db2.gz LGHUHRRNRCXRIY-KBXCAEBGSA-N 1 3 288.435 3.078 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccccc2F)CC1 ZINC000047977870 345058177 /nfs/dbraw/zinc/05/81/77/345058177.db2.gz IOFWPGBWDONLPT-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c2ccccc2n1 ZINC000091481473 345816360 /nfs/dbraw/zinc/81/63/60/345816360.db2.gz LZNMTXLFPKUEOO-KRWDZBQOSA-N 1 3 269.392 3.295 20 0 CGADHO Cc1csc([C@H](C)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000624017377 349948111 /nfs/dbraw/zinc/94/81/11/349948111.db2.gz YVNDUQWYBOWUFP-ZDUSSCGKSA-N 1 3 293.480 3.224 20 0 CGADHO C[C@H](F)CCN1CCC[C@@H]([N@H+](C)CC[C@H](C)F)CC1 ZINC000351729058 219188602 /nfs/dbraw/zinc/18/86/02/219188602.db2.gz CFGFJYGINBKDMA-SOUVJXGZSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@H](F)CCN1CCC[C@@H]([N@@H+](C)CC[C@H](C)F)CC1 ZINC000351729058 219188604 /nfs/dbraw/zinc/18/86/04/219188604.db2.gz CFGFJYGINBKDMA-SOUVJXGZSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@H](F)CCN(C)[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729058 219188605 /nfs/dbraw/zinc/18/86/05/219188605.db2.gz CFGFJYGINBKDMA-SOUVJXGZSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@H](F)CCN(C)[C@@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729058 219188608 /nfs/dbraw/zinc/18/86/08/219188608.db2.gz CFGFJYGINBKDMA-SOUVJXGZSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1CCN(C)CC1 ZINC000624104479 349970661 /nfs/dbraw/zinc/97/06/61/349970661.db2.gz UUCGFTBJMSXJAK-KDOFPFPSSA-N 1 3 287.451 3.243 20 0 CGADHO Cc1ccc(C(C)(C)CNC2CC[NH+](C(C)C)CC2)nc1 ZINC000624114048 349975525 /nfs/dbraw/zinc/97/55/25/349975525.db2.gz RXYFANDFTFASCN-UHFFFAOYSA-N 1 3 289.467 3.130 20 0 CGADHO CSCC1(CC[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000595064412 347275241 /nfs/dbraw/zinc/27/52/41/347275241.db2.gz AEZLLNMIEXGTAA-UHFFFAOYSA-N 1 3 284.513 3.372 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000624119647 349975662 /nfs/dbraw/zinc/97/56/62/349975662.db2.gz GPYLKNAGVGEABR-UKRRQHHQSA-N 1 3 278.465 3.447 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000351831813 219218861 /nfs/dbraw/zinc/21/88/61/219218861.db2.gz SRROOLCKINFZNA-GJZGRUSLSA-N 1 3 258.425 3.226 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000351831814 219219503 /nfs/dbraw/zinc/21/95/03/219219503.db2.gz SRROOLCKINFZNA-HUUCEWRRSA-N 1 3 258.425 3.226 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1F ZINC000624120372 349976627 /nfs/dbraw/zinc/97/66/27/349976627.db2.gz XLPKKJUBNZFCKA-ZIAGYGMSSA-N 1 3 294.414 3.217 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CCC2 ZINC000624120625 349976695 /nfs/dbraw/zinc/97/66/95/349976695.db2.gz CQRZJHOIQIKEAN-UONOGXRCSA-N 1 3 293.480 3.150 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624119767 349977558 /nfs/dbraw/zinc/97/75/58/349977558.db2.gz JBHQBYMFBVPJPT-ZIAGYGMSSA-N 1 3 264.388 3.208 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000624121357 349978233 /nfs/dbraw/zinc/97/82/33/349978233.db2.gz ULZFMXJQAVHLTQ-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120831 349978414 /nfs/dbraw/zinc/97/84/14/349978414.db2.gz HWVGLBYSWUOJBU-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120831 349978419 /nfs/dbraw/zinc/97/84/19/349978419.db2.gz HWVGLBYSWUOJBU-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000624120831 349978423 /nfs/dbraw/zinc/97/84/23/349978423.db2.gz HWVGLBYSWUOJBU-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339440692 215172313 /nfs/dbraw/zinc/17/23/13/215172313.db2.gz YZRUSNSMKLWOAG-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339440692 215172316 /nfs/dbraw/zinc/17/23/16/215172316.db2.gz YZRUSNSMKLWOAG-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N(C)CCC1CC[NH2+]CC1 ZINC000359228654 233283777 /nfs/dbraw/zinc/28/37/77/233283777.db2.gz XDMXUWWBXVBINU-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@]1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCCS1 ZINC000628181437 350426477 /nfs/dbraw/zinc/42/64/77/350426477.db2.gz CKICFSGXQZWQQQ-CVEARBPZSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@@]1(C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)CCCS1 ZINC000628181437 350426481 /nfs/dbraw/zinc/42/64/81/350426481.db2.gz CKICFSGXQZWQQQ-CVEARBPZSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@@]1(C[N@H+]2CCC[C@@H](N3CCCC3)CC2)CCCS1 ZINC000628181437 350426485 /nfs/dbraw/zinc/42/64/85/350426485.db2.gz CKICFSGXQZWQQQ-CVEARBPZSA-N 1 3 282.497 3.222 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186737 350430223 /nfs/dbraw/zinc/43/02/23/350430223.db2.gz UYGDVODOVVTSAD-IRXDYDNUSA-N 1 3 274.452 3.372 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186737 350430225 /nfs/dbraw/zinc/43/02/25/350430225.db2.gz UYGDVODOVVTSAD-IRXDYDNUSA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186737 350430229 /nfs/dbraw/zinc/43/02/29/350430229.db2.gz UYGDVODOVVTSAD-IRXDYDNUSA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccc(C)cc2)C1 ZINC000628186737 350430231 /nfs/dbraw/zinc/43/02/31/350430231.db2.gz UYGDVODOVVTSAD-IRXDYDNUSA-N 1 3 274.452 3.372 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)Cc1ccccc1 ZINC000628425378 350535642 /nfs/dbraw/zinc/53/56/42/350535642.db2.gz IYOAVKWDZRCRAM-SJLPKXTDSA-N 1 3 274.452 3.187 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000629531622 350704194 /nfs/dbraw/zinc/70/41/94/350704194.db2.gz RMNBUSNSKPFFOX-QBPKDAKJSA-N 1 3 282.472 3.077 20 0 CGADHO Cc1ccc2ncc(CN3CCC[C@H](C)[C@H]3CC[NH3+])cc2c1 ZINC000629537845 350705927 /nfs/dbraw/zinc/70/59/27/350705927.db2.gz LSQIGFKMPIUOCJ-HNAYVOBHSA-N 1 3 297.446 3.493 20 0 CGADHO C[C@@H](NCCOCCC[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000629542184 350707533 /nfs/dbraw/zinc/70/75/33/350707533.db2.gz WLCYDXUZVZXPRK-SNVBAGLBSA-N 1 3 291.222 3.009 20 0 CGADHO CCC(C)(C)CCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561511 350713526 /nfs/dbraw/zinc/71/35/26/350713526.db2.gz IGEDKNXLEPNFAK-RYUDHWBXSA-N 1 3 280.378 3.272 20 0 CGADHO Cc1ccc(-c2cccc(CNCCOCCC[NH3+])c2)cc1 ZINC000629399340 350689461 /nfs/dbraw/zinc/68/94/61/350689461.db2.gz PXGRUOZLBQHSHZ-UHFFFAOYSA-N 1 3 298.430 3.117 20 0 CGADHO C[C@@H]1CCC[C@H](CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629656765 350731493 /nfs/dbraw/zinc/73/14/93/350731493.db2.gz QHFBEXMGUSCDLE-XJFOESAGSA-N 1 3 292.389 3.272 20 0 CGADHO Cc1cc(C)c(/C=C\CNC2CC[NH+](C)CC2)cc1C ZINC000631035646 350933056 /nfs/dbraw/zinc/93/30/56/350933056.db2.gz NNFMAJAEWFBQJD-WAYWQWQTSA-N 1 3 272.436 3.309 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNCc2ccc(F)c3ccccc23)C1 ZINC000631045850 350935398 /nfs/dbraw/zinc/93/53/98/350935398.db2.gz WCGOWOWZBUWOTL-AWEZNQCLSA-N 1 3 286.394 3.410 20 0 CGADHO CC[N@H+]1CC[C@@H](CNCc2ccc(F)c3ccccc23)C1 ZINC000631045850 350935402 /nfs/dbraw/zinc/93/54/02/350935402.db2.gz WCGOWOWZBUWOTL-AWEZNQCLSA-N 1 3 286.394 3.410 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631045850 350935406 /nfs/dbraw/zinc/93/54/06/350935406.db2.gz WCGOWOWZBUWOTL-AWEZNQCLSA-N 1 3 286.394 3.410 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631107579 350956343 /nfs/dbraw/zinc/95/63/43/350956343.db2.gz DMMKJXCROZTRFD-UHFFFAOYSA-N 1 3 298.352 3.143 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(c2ccnc(C)c2)CC1 ZINC000631450349 351043211 /nfs/dbraw/zinc/04/32/11/351043211.db2.gz VDIHQRWPBBAECJ-UHFFFAOYSA-N 1 3 273.424 3.235 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000631651527 351106427 /nfs/dbraw/zinc/10/64/27/351106427.db2.gz KTUCEEDWIFCKCS-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCc2ncccc21)CN1CCCCC1 ZINC000631570083 351070645 /nfs/dbraw/zinc/07/06/45/351070645.db2.gz PUMJITFIKWADJI-CRAIPNDOSA-N 1 3 287.451 3.171 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631576422 351074246 /nfs/dbraw/zinc/07/42/46/351074246.db2.gz AECHUKNJKOMSIF-QAPCUYQASA-N 1 3 287.451 3.169 20 0 CGADHO Cc1cc(C[N@@H+]2CCCCC[C@H](N)C2)c2ccccc2n1 ZINC000631833665 351149779 /nfs/dbraw/zinc/14/97/79/351149779.db2.gz FSZPBPXXYSZCAP-INIZCTEOSA-N 1 3 283.419 3.247 20 0 CGADHO Cc1cc(C[N@H+]2CCCCC[C@H](N)C2)c2ccccc2n1 ZINC000631833665 351149784 /nfs/dbraw/zinc/14/97/84/351149784.db2.gz FSZPBPXXYSZCAP-INIZCTEOSA-N 1 3 283.419 3.247 20 0 CGADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccc(F)c1 ZINC000635018656 351632697 /nfs/dbraw/zinc/63/26/97/351632697.db2.gz GFVXEAOFECGZMD-ZDUSSCGKSA-N 1 3 284.378 3.322 20 0 CGADHO COc1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635023843 351633661 /nfs/dbraw/zinc/63/36/61/351633661.db2.gz SQYXCTZEAKZYOM-AWEZNQCLSA-N 1 3 296.414 3.192 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000635008616 351626405 /nfs/dbraw/zinc/62/64/05/351626405.db2.gz RVZVXPFRYDNCDR-HZPDHXFCSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635009851 351628451 /nfs/dbraw/zinc/62/84/51/351628451.db2.gz WPLRDVHEBCABDJ-RHSMWYFYSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1ccccc1[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011806 351629724 /nfs/dbraw/zinc/62/97/24/351629724.db2.gz PFWMTMUHQHKHQD-HUUCEWRRSA-N 1 3 260.425 3.424 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262933 198222635 /nfs/dbraw/zinc/22/26/35/198222635.db2.gz YWBKYDDOOWIDRV-KRWDZBQOSA-N 1 3 292.854 3.300 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262933 198222637 /nfs/dbraw/zinc/22/26/37/198222637.db2.gz YWBKYDDOOWIDRV-KRWDZBQOSA-N 1 3 292.854 3.300 20 0 CGADHO CC(C)Oc1cccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000152435082 188018365 /nfs/dbraw/zinc/01/83/65/188018365.db2.gz PBJHFZGLIOYHAA-KRWDZBQOSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)Oc1cccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000152435082 188018366 /nfs/dbraw/zinc/01/83/66/188018366.db2.gz PBJHFZGLIOYHAA-KRWDZBQOSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000155044299 188177960 /nfs/dbraw/zinc/17/79/60/188177960.db2.gz UXUKUIOPRARSND-CJNGLKHVSA-N 1 3 264.388 3.160 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000155044299 188177961 /nfs/dbraw/zinc/17/79/61/188177961.db2.gz UXUKUIOPRARSND-CJNGLKHVSA-N 1 3 264.388 3.160 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccn(C)c1 ZINC000158464828 188377679 /nfs/dbraw/zinc/37/76/79/188377679.db2.gz YWZQBNUIDBCTHS-APWZRJJASA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccn(C)c1 ZINC000158464828 188377680 /nfs/dbraw/zinc/37/76/80/188377680.db2.gz YWZQBNUIDBCTHS-APWZRJJASA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000158656106 188387144 /nfs/dbraw/zinc/38/71/44/188387144.db2.gz MLAYECRCXSZDTL-BBWFWOEESA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000158656106 188387145 /nfs/dbraw/zinc/38/71/45/188387145.db2.gz MLAYECRCXSZDTL-BBWFWOEESA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000246467094 290388145 /nfs/dbraw/zinc/38/81/45/290388145.db2.gz KAHDOHGXOFXVEV-GJZGRUSLSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CC(C)(C)OC1(C)C ZINC000246467094 290388146 /nfs/dbraw/zinc/38/81/46/290388146.db2.gz KAHDOHGXOFXVEV-GJZGRUSLSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCN[C@H]1CC(C)(C)OC1(C)C ZINC000246467094 290388147 /nfs/dbraw/zinc/38/81/47/290388147.db2.gz KAHDOHGXOFXVEV-GJZGRUSLSA-N 1 3 282.472 3.187 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)s1 ZINC000271833263 191355835 /nfs/dbraw/zinc/35/58/35/191355835.db2.gz FGIVDNPUBBFPQL-GFCCVEGCSA-N 1 3 264.438 3.223 20 0 CGADHO CC(C)C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000271874997 191381797 /nfs/dbraw/zinc/38/17/97/191381797.db2.gz NSCGFSPVWVDDTC-QGZVFWFLSA-N 1 3 273.424 3.020 20 0 CGADHO CC(C)C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000271874997 191381799 /nfs/dbraw/zinc/38/17/99/191381799.db2.gz NSCGFSPVWVDDTC-QGZVFWFLSA-N 1 3 273.424 3.020 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)c(C)o1 ZINC000414176014 235354576 /nfs/dbraw/zinc/35/45/76/235354576.db2.gz IUTSQUAMPHBAEQ-UKRRQHHQSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000414176014 235354579 /nfs/dbraw/zinc/35/45/79/235354579.db2.gz IUTSQUAMPHBAEQ-UKRRQHHQSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180161 235355709 /nfs/dbraw/zinc/35/57/09/235355709.db2.gz LIYCBDKGFNGZGZ-HKCMKHECSA-N 1 3 296.817 3.265 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180161 235355711 /nfs/dbraw/zinc/35/57/11/235355711.db2.gz LIYCBDKGFNGZGZ-HKCMKHECSA-N 1 3 296.817 3.265 20 0 CGADHO Cc1ccc(C2CC([NH2+]CC3=CCN(C)CC3)C2)cc1 ZINC000272999422 192014090 /nfs/dbraw/zinc/01/40/90/192014090.db2.gz YXEVKSUSEHOFBB-UHFFFAOYSA-N 1 3 270.420 3.093 20 0 CGADHO C[C@H](NCc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000414855667 235483578 /nfs/dbraw/zinc/48/35/78/235483578.db2.gz NFTXGSIEVCMJLW-KBXCAEBGSA-N 1 3 268.404 3.318 20 0 CGADHO C[C@@H]1C[C@@H](CNCc2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000415110759 235530645 /nfs/dbraw/zinc/53/06/45/235530645.db2.gz QOFCTLHELHCXPC-MNOVXSKESA-N 1 3 287.234 3.471 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccccc1F ZINC000093495900 138346656 /nfs/dbraw/zinc/34/66/56/138346656.db2.gz SQLWZMNQBXBWMJ-HOCLYGCPSA-N 1 3 278.415 3.269 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000423037644 235960533 /nfs/dbraw/zinc/96/05/33/235960533.db2.gz NFISQWZXTDCIAP-VNHYZAJKSA-N 1 3 295.496 3.455 20 0 CGADHO Cc1cc(C)c([C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1C ZINC000423218407 235999095 /nfs/dbraw/zinc/99/90/95/235999095.db2.gz VJTVHUMPWYELCJ-CVEARBPZSA-N 1 3 260.425 3.262 20 0 CGADHO COC[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423279734 236020302 /nfs/dbraw/zinc/02/03/02/236020302.db2.gz SYLAISVQFFPKPZ-XJKSGUPXSA-N 1 3 296.842 3.007 20 0 CGADHO Cc1cncc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423292572 236026662 /nfs/dbraw/zinc/02/66/62/236026662.db2.gz NIUIRMKMEOJTST-UONOGXRCSA-N 1 3 269.392 3.261 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423300232 236030949 /nfs/dbraw/zinc/03/09/49/236030949.db2.gz CUAXENTYDXBGTF-KYOSRNDESA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423270161 236016165 /nfs/dbraw/zinc/01/61/65/236016165.db2.gz GFPVDIYVQIGZPD-MRRJBJDNSA-N 1 3 296.405 3.393 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423308497 236033400 /nfs/dbraw/zinc/03/34/00/236033400.db2.gz OMYOOFFEGDOYHR-ABAIWWIYSA-N 1 3 266.816 3.366 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423349766 236047553 /nfs/dbraw/zinc/04/75/53/236047553.db2.gz XKECTYGPRSXBIS-NSHDSACASA-N 1 3 295.224 3.019 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423360259 236049432 /nfs/dbraw/zinc/04/94/32/236049432.db2.gz QGADXEFUURTJSW-SFHVURJKSA-N 1 3 264.372 3.067 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C2CC2)c1 ZINC000423366973 236051907 /nfs/dbraw/zinc/05/19/07/236051907.db2.gz MBHBCAGXLWPMBC-JCURWCKSSA-N 1 3 258.409 3.485 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCN1 ZINC000423380469 236056499 /nfs/dbraw/zinc/05/64/99/236056499.db2.gz MRUWBOKNCHPHBX-MXASKKJJSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(CO)c1 ZINC000423495367 236085893 /nfs/dbraw/zinc/08/58/93/236085893.db2.gz CAPLSMLIJLDKSC-HNAYVOBHSA-N 1 3 298.430 3.310 20 0 CGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000423499268 236086814 /nfs/dbraw/zinc/08/68/14/236086814.db2.gz JGZFKLLLDNXISE-YOEHRIQHSA-N 1 3 269.392 3.212 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2C[C@H]2C2CCC2)c2ccccc21 ZINC000424387946 236159128 /nfs/dbraw/zinc/15/91/28/236159128.db2.gz YYWYICODOGMWGR-SJWGOKEGSA-N 1 3 256.393 3.157 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000424298346 236144327 /nfs/dbraw/zinc/14/43/27/236144327.db2.gz ULXXYORGDRFYLS-OWCLPIDISA-N 1 3 262.372 3.063 20 0 CGADHO COCC(C)(C)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000426416602 236294061 /nfs/dbraw/zinc/29/40/61/236294061.db2.gz KHGKPXSYSCTISH-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc3ccoc32)CC[N@@H+]1C ZINC000336221991 213050217 /nfs/dbraw/zinc/05/02/17/213050217.db2.gz CUKPKBNVWFYAHM-IUODEOHRSA-N 1 3 258.365 3.005 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc3ccoc32)CC[N@H+]1C ZINC000336221991 213050219 /nfs/dbraw/zinc/05/02/19/213050219.db2.gz CUKPKBNVWFYAHM-IUODEOHRSA-N 1 3 258.365 3.005 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423070137 296020590 /nfs/dbraw/zinc/02/05/90/296020590.db2.gz MVXIDBMINFDIHM-GMTAPVOTSA-N 1 3 274.330 3.482 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)c1 ZINC000180719069 189271780 /nfs/dbraw/zinc/27/17/80/189271780.db2.gz GYIXUKVYSFTEAX-GDBMZVCRSA-N 1 3 276.424 3.220 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(Cl)nc1 ZINC000181384826 189295794 /nfs/dbraw/zinc/29/57/94/189295794.db2.gz QRJAVFISPDGDJH-GFCCVEGCSA-N 1 3 293.842 3.260 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000120535148 370777971 /nfs/dbraw/zinc/77/79/71/370777971.db2.gz XINHXVPKVOBNPD-MRXNPFEDSA-N 1 3 288.435 3.073 20 0 CGADHO C[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000450727191 240055209 /nfs/dbraw/zinc/05/52/09/240055209.db2.gz LZUGZSNPSUQEGU-GXTWGEPZSA-N 1 3 286.410 3.274 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453304214 240833068 /nfs/dbraw/zinc/83/30/68/240833068.db2.gz FMKAKDNHUSBPEX-INMHGKMJSA-N 1 3 290.451 3.324 20 0 CGADHO Fc1ccccc1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000121321956 370852227 /nfs/dbraw/zinc/85/22/27/370852227.db2.gz OHBFEUPNDVOGSD-UHFFFAOYSA-N 1 3 290.426 3.176 20 0 CGADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000459738051 242201308 /nfs/dbraw/zinc/20/13/08/242201308.db2.gz XIGNKXNLFRMDKS-JWZBEHFJSA-N 1 3 276.399 3.002 20 0 CGADHO CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2ccccc2F)[C@H](C)C1 ZINC000459738051 242201316 /nfs/dbraw/zinc/20/13/16/242201316.db2.gz XIGNKXNLFRMDKS-JWZBEHFJSA-N 1 3 276.399 3.002 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Cl)cc2F)C1 ZINC000459772270 242223818 /nfs/dbraw/zinc/22/38/18/242223818.db2.gz IIQWDXCELFTCSW-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Cl)cc2F)C1 ZINC000459772270 242223823 /nfs/dbraw/zinc/22/38/23/242223823.db2.gz IIQWDXCELFTCSW-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1(C)C ZINC000477915034 243061392 /nfs/dbraw/zinc/06/13/92/243061392.db2.gz HLJSFSLLMRKZOS-HZPDHXFCSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)O[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000477915034 243061396 /nfs/dbraw/zinc/06/13/96/243061396.db2.gz HLJSFSLLMRKZOS-HZPDHXFCSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C1CC([NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000486899398 243377545 /nfs/dbraw/zinc/37/75/45/243377545.db2.gz GAJUQHWRPKKZFG-UHFFFAOYSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@@H]1CC1(C)C ZINC000486973713 243390409 /nfs/dbraw/zinc/39/04/09/243390409.db2.gz WASGEZSENNXZCQ-PBHICJAKSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422799409 299394265 /nfs/dbraw/zinc/39/42/65/299394265.db2.gz WPGQOHSOLXXULD-RFBLXINOSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CCCN1 ZINC000422799409 299394268 /nfs/dbraw/zinc/39/42/68/299394268.db2.gz WPGQOHSOLXXULD-RFBLXINOSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)Oc1cccc([C@@H](C)NC2CC[NH+](C)CC2)c1 ZINC000036997311 369048633 /nfs/dbraw/zinc/04/86/33/369048633.db2.gz SIMIPRXBNHEBSO-CQSZACIVSA-N 1 3 276.424 3.219 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000037374203 369083033 /nfs/dbraw/zinc/08/30/33/369083033.db2.gz RZIYEKPPXHXSLU-UHFFFAOYSA-N 1 3 281.403 3.149 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccccc2COCC)CC1 ZINC000037762185 369104442 /nfs/dbraw/zinc/10/44/42/369104442.db2.gz ILHOYMPAIAFPCQ-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000037649227 369098150 /nfs/dbraw/zinc/09/81/50/369098150.db2.gz SYESUSDOPHKDRA-NWDGAFQWSA-N 1 3 280.362 3.100 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000050225217 369433533 /nfs/dbraw/zinc/43/35/33/369433533.db2.gz ZKYUOVMNDKAVNB-UHFFFAOYSA-N 1 3 287.432 3.210 20 0 CGADHO c1cc2c(s1)CCC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061328133 369598572 /nfs/dbraw/zinc/59/85/72/369598572.db2.gz RONVZYJODIUQJS-IUODEOHRSA-N 1 3 276.449 3.199 20 0 CGADHO c1cc2c(s1)CCC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000061328133 369598577 /nfs/dbraw/zinc/59/85/77/369598577.db2.gz RONVZYJODIUQJS-IUODEOHRSA-N 1 3 276.449 3.199 20 0 CGADHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000067452903 369718305 /nfs/dbraw/zinc/71/83/05/369718305.db2.gz OFPWCTROADHBLD-ZIAGYGMSSA-N 1 3 296.480 3.036 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CCO1 ZINC000070344087 369795633 /nfs/dbraw/zinc/79/56/33/369795633.db2.gz LAEJBKBIACCVOW-BBWFWOEESA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451103 370132057 /nfs/dbraw/zinc/13/20/57/370132057.db2.gz HJGPMGQOBSVQME-YESZJQIVSA-N 1 3 258.409 3.005 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000093770264 370158354 /nfs/dbraw/zinc/15/83/54/370158354.db2.gz LVFSNVROQIKKND-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000093770264 370158357 /nfs/dbraw/zinc/15/83/57/370158357.db2.gz LVFSNVROQIKKND-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512004149 245015491 /nfs/dbraw/zinc/01/54/91/245015491.db2.gz ADVYMOYGWXQEOR-ZYDHHDLOSA-N 1 3 294.389 3.440 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000513654498 245087360 /nfs/dbraw/zinc/08/73/60/245087360.db2.gz IUACPNHKQYUDCU-PMPSAXMXSA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000513654498 245087366 /nfs/dbraw/zinc/08/73/66/245087366.db2.gz IUACPNHKQYUDCU-PMPSAXMXSA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000513654498 245087369 /nfs/dbraw/zinc/08/73/69/245087369.db2.gz IUACPNHKQYUDCU-PMPSAXMXSA-N 1 3 278.827 3.302 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000118842843 370628841 /nfs/dbraw/zinc/62/88/41/370628841.db2.gz SELDAJNTYLFITC-CQSZACIVSA-N 1 3 266.816 3.114 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000118842843 370628848 /nfs/dbraw/zinc/62/88/48/370628848.db2.gz SELDAJNTYLFITC-CQSZACIVSA-N 1 3 266.816 3.114 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2C)C1 ZINC000151126441 371571773 /nfs/dbraw/zinc/57/17/73/371571773.db2.gz BAEDUZSEQOJLHP-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccccc2C)C1 ZINC000151126441 371571776 /nfs/dbraw/zinc/57/17/76/371571776.db2.gz BAEDUZSEQOJLHP-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000151126441 371571779 /nfs/dbraw/zinc/57/17/79/371571779.db2.gz BAEDUZSEQOJLHP-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO Clc1ccc([C@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000422764400 371791840 /nfs/dbraw/zinc/79/18/40/371791840.db2.gz OKZLXDQCCVVLQS-OAHLLOKOSA-N 1 3 264.800 3.133 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)N[C@H](C)C1C[NH2+]C1 ZINC000422706728 371761536 /nfs/dbraw/zinc/76/15/36/371761536.db2.gz FSMQJPLCLDADPY-PBHICJAKSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+][C@H](C)C1CNC1 ZINC000422706728 371761541 /nfs/dbraw/zinc/76/15/41/371761541.db2.gz FSMQJPLCLDADPY-PBHICJAKSA-N 1 3 260.425 3.280 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422711677 371763225 /nfs/dbraw/zinc/76/32/25/371763225.db2.gz NIEDEDFOUFOYCY-RDJZCZTQSA-N 1 3 282.472 3.223 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422762956 371792524 /nfs/dbraw/zinc/79/25/24/371792524.db2.gz IOAGFSWKOCSOQX-GOEBONIOSA-N 1 3 278.465 3.194 20 0 CGADHO Cc1ccc(SCC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422762956 371792527 /nfs/dbraw/zinc/79/25/27/371792527.db2.gz IOAGFSWKOCSOQX-GOEBONIOSA-N 1 3 278.465 3.194 20 0 CGADHO COc1cc(F)c([C@H](C)N[C@@H](C)CCCC[NH3+])cc1OC ZINC000422736004 371775257 /nfs/dbraw/zinc/77/52/57/371775257.db2.gz VLPIPFKTNWBRAR-RYUDHWBXSA-N 1 3 298.402 3.011 20 0 CGADHO Cc1cccc(OC[C@H](C)[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422744915 371780591 /nfs/dbraw/zinc/78/05/91/371780591.db2.gz WTSQQVLIKXAWOD-KYNGSXCRSA-N 1 3 296.414 3.497 20 0 CGADHO Cc1c2ccccc2oc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422748578 371783068 /nfs/dbraw/zinc/78/30/68/371783068.db2.gz VEPLSUMDPVSEBX-UKRRQHHQSA-N 1 3 272.392 3.348 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000422751486 371784388 /nfs/dbraw/zinc/78/43/88/371784388.db2.gz CUCBTMBYUMXGMJ-UONOGXRCSA-N 1 3 283.419 3.303 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000422749835 371785041 /nfs/dbraw/zinc/78/50/41/371785041.db2.gz BCPQSXAZOFMMHP-DYVFJYSZSA-N 1 3 295.430 3.057 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422751445 371785156 /nfs/dbraw/zinc/78/51/56/371785156.db2.gz CPMKICKXJZSCBS-SWLSCSKDSA-N 1 3 282.428 3.025 20 0 CGADHO Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000422761748 371789575 /nfs/dbraw/zinc/78/95/75/371789575.db2.gz RNOXDNKTMRIGMJ-QZTJIDSGSA-N 1 3 282.387 3.108 20 0 CGADHO CCS[C@@H]1CCC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422820987 371829582 /nfs/dbraw/zinc/82/95/82/371829582.db2.gz TXVVZBGYBJQGJQ-LXTVHRRPSA-N 1 3 270.486 3.171 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422831387 371833311 /nfs/dbraw/zinc/83/33/11/371833311.db2.gz SOKRNBYUDBJEKA-DLBZAZTESA-N 1 3 276.424 3.223 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775957 371799312 /nfs/dbraw/zinc/79/93/12/371799312.db2.gz CRMAWECRQSYSHF-IHRRRGAJSA-N 1 3 295.858 3.024 20 0 CGADHO COc1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)c1 ZINC000422784958 371806954 /nfs/dbraw/zinc/80/69/54/371806954.db2.gz JDDVSNJFMBVSTK-MOPGFXCFSA-N 1 3 296.414 3.332 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(Br)cc1 ZINC000422788643 371807970 /nfs/dbraw/zinc/80/79/70/371807970.db2.gz VVVUHKIXGIXQFW-AXFHLTTASA-N 1 3 285.229 3.226 20 0 CGADHO CCC(CC)(C[NH2+][C@@H](C)C[C@@H](C)N)c1ccccc1 ZINC000422796078 371815949 /nfs/dbraw/zinc/81/59/49/371815949.db2.gz IMTXYQPKGRXRFO-CABCVRRESA-N 1 3 262.441 3.460 20 0 CGADHO CCC(CC)(CN[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422796078 371815957 /nfs/dbraw/zinc/81/59/57/371815957.db2.gz IMTXYQPKGRXRFO-CABCVRRESA-N 1 3 262.441 3.460 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422815083 371827428 /nfs/dbraw/zinc/82/74/28/371827428.db2.gz ASUWNAIDGOBKOU-RVMXOQNASA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422815083 371827433 /nfs/dbraw/zinc/82/74/33/371827433.db2.gz ASUWNAIDGOBKOU-RVMXOQNASA-N 1 3 278.362 3.085 20 0 CGADHO CCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)s1 ZINC000422858723 371843598 /nfs/dbraw/zinc/84/35/98/371843598.db2.gz JBRFCPSBKPOHKB-KGLIPLIRSA-N 1 3 252.427 3.060 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)C1(CC)CC ZINC000344088050 217044507 /nfs/dbraw/zinc/04/45/07/217044507.db2.gz NHDOUSNQBBJRLD-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)c1c(Cl)cccc1Cl ZINC000422882490 371852065 /nfs/dbraw/zinc/85/20/65/371852065.db2.gz SKTGHCPZCZACRJ-ZJUUUORDSA-N 1 3 287.234 3.294 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)c1c(Cl)cccc1Cl ZINC000422882490 371852067 /nfs/dbraw/zinc/85/20/67/371852067.db2.gz SKTGHCPZCZACRJ-ZJUUUORDSA-N 1 3 287.234 3.294 20 0 CGADHO COc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])c(Cl)c1 ZINC000422886437 371853661 /nfs/dbraw/zinc/85/36/61/371853661.db2.gz IZHNFRREWGFNOW-JKSUJKDBSA-N 1 3 296.842 3.141 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422898679 371859239 /nfs/dbraw/zinc/85/92/39/371859239.db2.gz MOTXJXYOCLWMAV-FUHWJXTLSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc2ccccc21 ZINC000422917380 371867068 /nfs/dbraw/zinc/86/70/68/371867068.db2.gz DNZOZZIMSRJUHC-RDTXWAMCSA-N 1 3 268.404 3.318 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCNC2)C12CCCCC2 ZINC000422917420 371867279 /nfs/dbraw/zinc/86/72/79/371867279.db2.gz DTQOJVRQXFIDNO-LTIDMASMSA-N 1 3 294.483 3.092 20 0 CGADHO CC[C@@H](N[C@H](C)CCC[NH3+])c1cc(F)ccc1F ZINC000422916139 371867393 /nfs/dbraw/zinc/86/73/93/371867393.db2.gz CKNBGNXKKPQLPB-QMTHXVAHSA-N 1 3 256.340 3.133 20 0 CGADHO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422917015 371868177 /nfs/dbraw/zinc/86/81/77/371868177.db2.gz FFZSLOSNIKTWCZ-AVGNSLFASA-N 1 3 263.429 3.324 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1c(F)cccc1Cl ZINC000422918396 371869836 /nfs/dbraw/zinc/86/98/36/371869836.db2.gz HKCWPERCBQFMNI-MNOVXSKESA-N 1 3 286.822 3.472 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422918396 371869838 /nfs/dbraw/zinc/86/98/38/371869838.db2.gz HKCWPERCBQFMNI-MNOVXSKESA-N 1 3 286.822 3.472 20 0 CGADHO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)cc1 ZINC000422925421 371874241 /nfs/dbraw/zinc/87/42/41/371874241.db2.gz VCXZYYAWEKNRRQ-MOPGFXCFSA-N 1 3 296.414 3.332 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422932563 371877311 /nfs/dbraw/zinc/87/73/11/371877311.db2.gz ZNKZPOCRZWURSS-FUHWJXTLSA-N 1 3 286.463 3.377 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847654 371837995 /nfs/dbraw/zinc/83/79/95/371837995.db2.gz IPPSEKRLNGZHMY-QZTJIDSGSA-N 1 3 288.435 3.368 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423056322 371938191 /nfs/dbraw/zinc/93/81/91/371938191.db2.gz XZFFUPQAVKMVJK-OLZOCXBDSA-N 1 3 296.405 3.345 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422968209 371895428 /nfs/dbraw/zinc/89/54/28/371895428.db2.gz QQYWODCKRJBMAO-VQHPVUNQSA-N 1 3 258.409 3.182 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422972835 371896919 /nfs/dbraw/zinc/89/69/19/371896919.db2.gz AMWLMJYDAZGDOS-TVFCKZIOSA-N 1 3 296.499 3.074 20 0 CGADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422972835 371896926 /nfs/dbraw/zinc/89/69/26/371896926.db2.gz AMWLMJYDAZGDOS-TVFCKZIOSA-N 1 3 296.499 3.074 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422977397 371899588 /nfs/dbraw/zinc/89/95/88/371899588.db2.gz KAIKWLLPRPERLA-OCBCSQNSSA-N 1 3 282.387 3.058 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000422998231 371908311 /nfs/dbraw/zinc/90/83/11/371908311.db2.gz WABTUJXAMUOWED-XSLAGTTESA-N 1 3 272.436 3.430 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000423000683 371910536 /nfs/dbraw/zinc/91/05/36/371910536.db2.gz HDFVZFHUGYXICS-CPUCHLNUSA-N 1 3 258.409 3.357 20 0 CGADHO Cc1cc([C@H](N[C@@H](C)C[C@H](C)[NH3+])C2CC2)ccc1F ZINC000423009349 371914586 /nfs/dbraw/zinc/91/45/86/371914586.db2.gz CUXXEFNFXKAJGH-MQIPJXDCSA-N 1 3 264.388 3.301 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423015897 371917031 /nfs/dbraw/zinc/91/70/31/371917031.db2.gz LSDCKJPNZMTSAG-HRCADAONSA-N 1 3 292.492 3.499 20 0 CGADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423015897 371917035 /nfs/dbraw/zinc/91/70/35/371917035.db2.gz LSDCKJPNZMTSAG-HRCADAONSA-N 1 3 292.492 3.499 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000423029305 371924803 /nfs/dbraw/zinc/92/48/03/371924803.db2.gz UOMCYZORHAWUOS-BHYGNILZSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1CN)CCC2 ZINC000423029305 371924810 /nfs/dbraw/zinc/92/48/10/371924810.db2.gz UOMCYZORHAWUOS-BHYGNILZSA-N 1 3 258.409 3.089 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCC[C@H]2CCCCO2)c2ccccc21 ZINC000423037099 371928207 /nfs/dbraw/zinc/92/82/07/371928207.db2.gz MIQVXUWGXGSXGG-KBRIMQKVSA-N 1 3 274.408 3.070 20 0 CGADHO CC(C)c1ccc(O[C@@H](C)CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423105864 371969612 /nfs/dbraw/zinc/96/96/12/371969612.db2.gz IXWXGXMLTVTEDO-ZNMIVQPWSA-N 1 3 278.440 3.293 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(C(F)(F)F)CC1 ZINC000423115659 371974648 /nfs/dbraw/zinc/97/46/48/371974648.db2.gz YFXGMGIKFAWDOI-VXGBXAGGSA-N 1 3 278.362 3.229 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cc2ccccc2s1 ZINC000423126958 371980708 /nfs/dbraw/zinc/98/07/08/371980708.db2.gz BIRTZRUURLFXDZ-CJNGLKHVSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423126958 371980718 /nfs/dbraw/zinc/98/07/18/371980718.db2.gz BIRTZRUURLFXDZ-CJNGLKHVSA-N 1 3 288.460 3.422 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423130393 371982882 /nfs/dbraw/zinc/98/28/82/371982882.db2.gz SCNKZURMGUIATQ-BRWVUGGUSA-N 1 3 296.499 3.340 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423135118 371984234 /nfs/dbraw/zinc/98/42/34/371984234.db2.gz SQQGTCQWODNVKG-HJWJTTGWSA-N 1 3 276.399 3.321 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]CC[C@H]1C)CCC2 ZINC000423134139 371984825 /nfs/dbraw/zinc/98/48/25/371984825.db2.gz WTFSYHOGKFIHCK-OLMNPRSZSA-N 1 3 272.436 3.350 20 0 CGADHO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000423134337 371985374 /nfs/dbraw/zinc/98/53/74/371985374.db2.gz LZDHRYPUQXXSLR-GUYCJALGSA-N 1 3 294.870 3.495 20 0 CGADHO COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCCC[C@H]3CN)C2)c1 ZINC000423154048 371994030 /nfs/dbraw/zinc/99/40/30/371994030.db2.gz IOIUFFNBLHTGNX-OVWQWFNUSA-N 1 3 288.435 3.048 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423157238 371995999 /nfs/dbraw/zinc/99/59/99/371995999.db2.gz VBCHMRDHMKOHPA-RNJTYBCJSA-N 1 3 288.435 3.172 20 0 CGADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423168434 372000436 /nfs/dbraw/zinc/00/04/36/372000436.db2.gz HKGOQBWXBABIRP-WSWKGWCUSA-N 1 3 288.410 3.192 20 0 CGADHO CC(C)N(CCC[NH2+]C(C1CC1)C1CC1)C(C)C ZINC000155820210 371947177 /nfs/dbraw/zinc/94/71/77/371947177.db2.gz IDWSMMTVZIFJSH-UHFFFAOYSA-N 1 3 252.446 3.274 20 0 CGADHO CC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000423080484 371951708 /nfs/dbraw/zinc/95/17/08/371951708.db2.gz AHEHWLYLTRNPPC-QLFBSQMISA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423190976 372017097 /nfs/dbraw/zinc/01/70/97/372017097.db2.gz TXDVXOMBGTUXJV-VXGBXAGGSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@@H](NC1CC[NH2+]CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423190976 372017100 /nfs/dbraw/zinc/01/71/00/372017100.db2.gz TXDVXOMBGTUXJV-VXGBXAGGSA-N 1 3 266.816 3.174 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423196386 372022141 /nfs/dbraw/zinc/02/21/41/372022141.db2.gz VDCKMQIOHZWVKO-DZGCQCFKSA-N 1 3 266.816 3.305 20 0 CGADHO CC(C)[C@H]([NH2+]CC1(N)CCCCCC1)c1cccnc1 ZINC000423204018 372026516 /nfs/dbraw/zinc/02/65/16/372026516.db2.gz TVPSTUDAAYDXND-INIZCTEOSA-N 1 3 275.440 3.420 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423207937 372030869 /nfs/dbraw/zinc/03/08/69/372030869.db2.gz HKGDZIRMPKVZHH-HZSPNIEDSA-N 1 3 280.843 3.421 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423211710 372031976 /nfs/dbraw/zinc/03/19/76/372031976.db2.gz LFWSNMGZZMORMF-OAGGEKHMSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000423219408 372038711 /nfs/dbraw/zinc/03/87/11/372038711.db2.gz WMJHMROCRKVTPN-ZIAGYGMSSA-N 1 3 266.454 3.425 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H]1CCCNC1)c1cccs1 ZINC000423219408 372038715 /nfs/dbraw/zinc/03/87/15/372038715.db2.gz WMJHMROCRKVTPN-ZIAGYGMSSA-N 1 3 266.454 3.425 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000423271306 372045663 /nfs/dbraw/zinc/04/56/63/372045663.db2.gz IWCJWRMZBMECGX-ZTFGCOKTSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)CCC2 ZINC000423271306 372045668 /nfs/dbraw/zinc/04/56/68/372045668.db2.gz IWCJWRMZBMECGX-ZTFGCOKTSA-N 1 3 288.435 3.180 20 0 CGADHO N[C@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311583 372049553 /nfs/dbraw/zinc/04/95/53/372049553.db2.gz CBIMUFKJRNJYHN-CVEARBPZSA-N 1 3 278.827 3.434 20 0 CGADHO CCCC[C@H](CN)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423297673 372049867 /nfs/dbraw/zinc/04/98/67/372049867.db2.gz LHORTLNYUHBVJV-OCCSQVGLSA-N 1 3 282.428 3.470 20 0 CGADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCC[NH3+] ZINC000423179974 372009255 /nfs/dbraw/zinc/00/92/55/372009255.db2.gz DPDBFWRGAFABPD-LLVKDONJSA-N 1 3 275.421 3.118 20 0 CGADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC000159080908 372105542 /nfs/dbraw/zinc/10/55/42/372105542.db2.gz QASBJAYIYIWVOQ-GOSISDBHSA-N 1 3 290.451 3.228 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423461886 372066291 /nfs/dbraw/zinc/06/62/91/372066291.db2.gz CYFFBSMCPLLVEH-XWIASGKRSA-N 1 3 298.352 3.198 20 0 CGADHO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292788487 372211192 /nfs/dbraw/zinc/21/11/92/372211192.db2.gz MEYBECYZGOOQHH-FXFXYLOPSA-N 1 3 270.420 3.118 20 0 CGADHO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292788487 372211196 /nfs/dbraw/zinc/21/11/96/372211196.db2.gz MEYBECYZGOOQHH-FXFXYLOPSA-N 1 3 270.420 3.118 20 0 CGADHO COc1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000292886008 372237812 /nfs/dbraw/zinc/23/78/12/372237812.db2.gz CLBDMHRULWZKBR-UHFFFAOYSA-N 1 3 276.424 3.051 20 0 CGADHO CC(C)CCn1cccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000161558173 372334907 /nfs/dbraw/zinc/33/49/07/372334907.db2.gz HXDXWGDKGCKRCS-UHFFFAOYSA-N 1 3 291.483 3.497 20 0 CGADHO Cc1ccc(C)c(C[N@@H+](C)CC[C@H]2CCCN2C)c1 ZINC000429296217 372346679 /nfs/dbraw/zinc/34/66/79/372346679.db2.gz RKYJVRRFWONWBT-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+](C)CC[C@H]2CCCN2C)c1 ZINC000429296217 372346686 /nfs/dbraw/zinc/34/66/86/372346686.db2.gz RKYJVRRFWONWBT-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000293778900 372479217 /nfs/dbraw/zinc/47/92/17/372479217.db2.gz SSXCQMKPBNBIBT-FJIDUMEYSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000293778900 372479226 /nfs/dbraw/zinc/47/92/26/372479226.db2.gz SSXCQMKPBNBIBT-FJIDUMEYSA-N 1 3 270.420 3.007 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2csc3ccccc23)C1 ZINC000163233704 372455113 /nfs/dbraw/zinc/45/51/13/372455113.db2.gz JTVWMZZQXRSGSX-NWDGAFQWSA-N 1 3 260.406 3.070 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211364 372566008 /nfs/dbraw/zinc/56/60/08/372566008.db2.gz IGIOJJDBFZJUHI-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211364 372566013 /nfs/dbraw/zinc/56/60/13/372566013.db2.gz IGIOJJDBFZJUHI-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211364 372566018 /nfs/dbraw/zinc/56/60/18/372566018.db2.gz IGIOJJDBFZJUHI-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(F)c1 ZINC000166514728 372577284 /nfs/dbraw/zinc/57/72/84/372577284.db2.gz VSBSLRVLCNRHGN-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO CCC(C)(C)C1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000344546808 217226729 /nfs/dbraw/zinc/22/67/29/217226729.db2.gz HJQCUXWMZUGJJC-UHFFFAOYSA-N 1 3 296.499 3.028 20 0 CGADHO CCN(C/C=C\c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389366 372755790 /nfs/dbraw/zinc/75/57/90/372755790.db2.gz KMJBFZDZDUKFRY-CGQZWFTASA-N 1 3 258.409 3.164 20 0 CGADHO COc1ccc2oc(CN3CCC([C@@H](C)[NH3+])CC3)cc2c1 ZINC000435390541 372758004 /nfs/dbraw/zinc/75/80/04/372758004.db2.gz BLGHLIUQWOLXPX-GFCCVEGCSA-N 1 3 288.391 3.001 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCF)cc1 ZINC000353433292 220080810 /nfs/dbraw/zinc/08/08/10/220080810.db2.gz FKTBWDWPUMWYGL-SJORKVTESA-N 1 3 278.415 3.366 20 0 CGADHO CC[NH+]1CCC(CCNCc2ccc(Cl)o2)CC1 ZINC000344602228 217244589 /nfs/dbraw/zinc/24/45/89/217244589.db2.gz IAWJUMZKFAWWQB-UHFFFAOYSA-N 1 3 270.804 3.145 20 0 CGADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1cc(F)ccc1F ZINC000353450560 220090447 /nfs/dbraw/zinc/09/04/47/220090447.db2.gz UHRUWLXRRCQBEY-XGNXJENSSA-N 1 3 282.378 3.488 20 0 CGADHO C[C@@H](C[NH2+]C1CCC(C(F)F)CC1)CN1CCCC1 ZINC000442710676 373067735 /nfs/dbraw/zinc/06/77/35/373067735.db2.gz QLOXJRQODYLWMU-HSBZDZAISA-N 1 3 274.399 3.132 20 0 CGADHO Cc1ccc(-c2cnc(CN3CCC[C@@H](CC[NH3+])C3)o2)cc1 ZINC000443060378 373146158 /nfs/dbraw/zinc/14/61/58/373146158.db2.gz OYYXVZXRBSFBLS-HNNXBMFYSA-N 1 3 299.418 3.211 20 0 CGADHO Cc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC000296557794 373176500 /nfs/dbraw/zinc/17/65/00/373176500.db2.gz UCJWONDRFKATTP-ZFWWWQNUSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1cc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC000296557794 373176501 /nfs/dbraw/zinc/17/65/01/373176501.db2.gz UCJWONDRFKATTP-ZFWWWQNUSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC000296557781 373176584 /nfs/dbraw/zinc/17/65/84/373176584.db2.gz UCJWONDRFKATTP-DZGCQCFKSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC000296557781 373176594 /nfs/dbraw/zinc/17/65/94/373176594.db2.gz UCJWONDRFKATTP-DZGCQCFKSA-N 1 3 296.480 3.208 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000174628319 373346273 /nfs/dbraw/zinc/34/62/73/373346273.db2.gz SGFNWHFWGFJJGS-IUODEOHRSA-N 1 3 266.816 3.160 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000446884671 373372938 /nfs/dbraw/zinc/37/29/38/373372938.db2.gz QAKXRIBFVKLAEM-CXAGYDPISA-N 1 3 288.435 3.367 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449088705 373660439 /nfs/dbraw/zinc/66/04/39/373660439.db2.gz BUQGBRLYNBOXNY-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449359770 373684774 /nfs/dbraw/zinc/68/47/74/373684774.db2.gz RGUBFZVSCYXEDK-XYJFISCASA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CCO)CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449359770 373684778 /nfs/dbraw/zinc/68/47/78/373684778.db2.gz RGUBFZVSCYXEDK-XYJFISCASA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CCCCO)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449427793 373704300 /nfs/dbraw/zinc/70/43/00/373704300.db2.gz PHOTYJMEWRNFPA-JFIYKMOQSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H](CC(C)(C)O)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449449246 373732337 /nfs/dbraw/zinc/73/23/37/373732337.db2.gz KZKBNUNARMBWQA-INMHGKMJSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](CC(C)(C)O)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449449246 373732350 /nfs/dbraw/zinc/73/23/50/373732350.db2.gz KZKBNUNARMBWQA-INMHGKMJSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccoc1 ZINC000178099177 373743554 /nfs/dbraw/zinc/74/35/54/373743554.db2.gz YGCYMBLFNNMFDW-GJZGRUSLSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccoc1 ZINC000178099177 373743564 /nfs/dbraw/zinc/74/35/64/373743564.db2.gz YGCYMBLFNNMFDW-GJZGRUSLSA-N 1 3 264.413 3.442 20 0 CGADHO CC/C=C/C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449462146 373744221 /nfs/dbraw/zinc/74/42/21/373744221.db2.gz UOIJEXPPYCWTTK-XVNBXDOJSA-N 1 3 250.430 3.339 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCC4)[C@H]3C2)cc1 ZINC000309893778 374201879 /nfs/dbraw/zinc/20/18/79/374201879.db2.gz FPZQVEGWYKXPFI-RYQLBKOJSA-N 1 3 270.420 3.039 20 0 CGADHO c1cc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c[nH]1 ZINC000310000718 374206049 /nfs/dbraw/zinc/20/60/49/374206049.db2.gz DVGVKIDDPPYFCF-LJQANCHMSA-N 1 3 297.446 3.407 20 0 CGADHO c1cc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c[nH]1 ZINC000310000717 374206630 /nfs/dbraw/zinc/20/66/30/374206630.db2.gz DVGVKIDDPPYFCF-IBGZPJMESA-N 1 3 297.446 3.407 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)CN(C)C ZINC000310912826 374227468 /nfs/dbraw/zinc/22/74/68/374227468.db2.gz YLVHQTZCKMZLQU-XHDPSFHLSA-N 1 3 266.816 3.115 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)CN(C)C ZINC000311834567 374257245 /nfs/dbraw/zinc/25/72/45/374257245.db2.gz POQSJWLHTOKTOR-RHSMWYFYSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@H](CN[C@@H]1CCCCc2ccccc21)C[NH+](C)C ZINC000311834567 374257254 /nfs/dbraw/zinc/25/72/54/374257254.db2.gz POQSJWLHTOKTOR-RHSMWYFYSA-N 1 3 260.425 3.241 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000312512059 374281501 /nfs/dbraw/zinc/28/15/01/374281501.db2.gz JUNJFQHKGIIWLQ-BBWFWOEESA-N 1 3 272.436 3.214 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000090858989 541965647 /nfs/dbraw/zinc/96/56/47/541965647.db2.gz ICVJVVBFOCLUIF-QZTJIDSGSA-N 1 3 294.483 3.331 20 0 CGADHO CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000090858989 541965652 /nfs/dbraw/zinc/96/56/52/541965652.db2.gz ICVJVVBFOCLUIF-QZTJIDSGSA-N 1 3 294.483 3.331 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000090798180 541964246 /nfs/dbraw/zinc/96/42/46/541964246.db2.gz QGQNSTOHVZFKJU-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000090963721 541965188 /nfs/dbraw/zinc/96/51/88/541965188.db2.gz WMIFFCKPDAQBJI-VXGBXAGGSA-N 1 3 282.378 3.346 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCC1 ZINC000094874476 541989477 /nfs/dbraw/zinc/98/94/77/541989477.db2.gz QFDJJUIBTMIOSZ-CABCVRRESA-N 1 3 252.446 3.452 20 0 CGADHO C[C@H](CN[C@H]1c2ccccc2C[C@H]1C)C[NH+]1CCCC1 ZINC000481313642 375163470 /nfs/dbraw/zinc/16/34/70/375163470.db2.gz OIEKSGWDUJBXJV-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)CN1CCCC1 ZINC000481313642 375163471 /nfs/dbraw/zinc/16/34/71/375163471.db2.gz OIEKSGWDUJBXJV-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000189069835 375318064 /nfs/dbraw/zinc/31/80/64/375318064.db2.gz FNFTVTDFGIBAIV-PBHICJAKSA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000189069835 375318069 /nfs/dbraw/zinc/31/80/69/375318069.db2.gz FNFTVTDFGIBAIV-PBHICJAKSA-N 1 3 260.425 3.164 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000335691949 375351425 /nfs/dbraw/zinc/35/14/25/375351425.db2.gz ILULCKYEFSXFGG-SFHVURJKSA-N 1 3 270.420 3.280 20 0 CGADHO CC(C)OC1CC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000189567921 375413515 /nfs/dbraw/zinc/41/35/15/375413515.db2.gz IKABMNMGDYRSCD-RSIVFMTNSA-N 1 3 294.483 3.185 20 0 CGADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000507523275 375712404 /nfs/dbraw/zinc/71/24/04/375712404.db2.gz IJHHARMBTRZRJT-MWDXBVQZSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000507878908 375728548 /nfs/dbraw/zinc/72/85/48/375728548.db2.gz PQERGQYEQMJPDU-FXUDXRNXSA-N 1 3 252.446 3.275 20 0 CGADHO FC1(F)CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000336252940 375764550 /nfs/dbraw/zinc/76/45/50/375764550.db2.gz DEPDNIOEKBWBQZ-UONOGXRCSA-N 1 3 272.383 3.028 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000510698954 375788159 /nfs/dbraw/zinc/78/81/59/375788159.db2.gz ANHNYXKMLSDCTR-PMPSAXMXSA-N 1 3 270.436 3.226 20 0 CGADHO C[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)CN(C)C ZINC000336791644 375942280 /nfs/dbraw/zinc/94/22/80/375942280.db2.gz OIBYNEQAPKLMQB-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000336797374 375945335 /nfs/dbraw/zinc/94/53/35/375945335.db2.gz ZQSMOVOURQWKFU-MJBXVCDLSA-N 1 3 272.383 3.028 20 0 CGADHO C(=C\c1ccccc1)\CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000214377351 376143333 /nfs/dbraw/zinc/14/33/33/376143333.db2.gz NYDBRIQLBMMRFS-MTIYJEKLSA-N 1 3 270.420 3.164 20 0 CGADHO COCC[C@@H](c1ccccc1)[N@H+](C)CCCN1CCCC1 ZINC000337267421 376178372 /nfs/dbraw/zinc/17/83/72/376178372.db2.gz IVZIEIRRRISAIL-SFHVURJKSA-N 1 3 290.451 3.182 20 0 CGADHO COCC[C@@H](c1ccccc1)[N@@H+](C)CCCN1CCCC1 ZINC000337267421 376178376 /nfs/dbraw/zinc/17/83/76/376178376.db2.gz IVZIEIRRRISAIL-SFHVURJKSA-N 1 3 290.451 3.182 20 0 CGADHO Cc1ccccc1OCCC[N@@H+](C)CCCN1CCCC1 ZINC000337278562 376187388 /nfs/dbraw/zinc/18/73/88/376187388.db2.gz SVPJSABSRNYTKO-UHFFFAOYSA-N 1 3 290.451 3.182 20 0 CGADHO Cc1ccccc1OCCC[N@H+](C)CCCN1CCCC1 ZINC000337278562 376187393 /nfs/dbraw/zinc/18/73/93/376187393.db2.gz SVPJSABSRNYTKO-UHFFFAOYSA-N 1 3 290.451 3.182 20 0 CGADHO CCC[C@@H](C)C[NH+]1CCC(N2CCCCC2)CC1 ZINC000538307510 376231430 /nfs/dbraw/zinc/23/14/30/376231430.db2.gz AMEMNKZUFZFVQD-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000338340629 376339015 /nfs/dbraw/zinc/33/90/15/376339015.db2.gz CZLFEMNWWUHPLS-LBPRGKRZSA-N 1 3 268.367 3.285 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000226918649 376374745 /nfs/dbraw/zinc/37/47/45/376374745.db2.gz LYSAKBWPPCRDND-RDJZCZTQSA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccccc2)C(C)C)C1 ZINC000226918649 376374751 /nfs/dbraw/zinc/37/47/51/376374751.db2.gz LYSAKBWPPCRDND-RDJZCZTQSA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccccc2)C(C)C)C1 ZINC000226918649 376374755 /nfs/dbraw/zinc/37/47/55/376374755.db2.gz LYSAKBWPPCRDND-RDJZCZTQSA-N 1 3 260.425 3.315 20 0 CGADHO C[C@@H](C[NH2+]CC1=CCN(C)CC1)CC1CCCCC1 ZINC000541774090 376480985 /nfs/dbraw/zinc/48/09/85/376480985.db2.gz CDQCRKFESPSQKL-OAHLLOKOSA-N 1 3 264.457 3.444 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](CN(C)CC)C2)C1 ZINC000541536098 376455981 /nfs/dbraw/zinc/45/59/81/376455981.db2.gz YAJHHHDRQUZRAX-IXDOHACOSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](CN(C)CC)C2)C1 ZINC000541536098 376455985 /nfs/dbraw/zinc/45/59/85/376455985.db2.gz YAJHHHDRQUZRAX-IXDOHACOSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000541602933 376466718 /nfs/dbraw/zinc/46/67/18/376466718.db2.gz DJNYPEKVENBGPZ-AGIUHOORSA-N 1 3 292.389 3.427 20 0 CGADHO C[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(F)(F)F ZINC000541602933 376466725 /nfs/dbraw/zinc/46/67/25/376466725.db2.gz DJNYPEKVENBGPZ-AGIUHOORSA-N 1 3 292.389 3.427 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000541602933 376466732 /nfs/dbraw/zinc/46/67/32/376466732.db2.gz DJNYPEKVENBGPZ-AGIUHOORSA-N 1 3 292.389 3.427 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670821 376567020 /nfs/dbraw/zinc/56/70/20/376567020.db2.gz NTDCAIDNNCQKSZ-PBHICJAKSA-N 1 3 276.424 3.361 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338778921 376528807 /nfs/dbraw/zinc/52/88/07/376528807.db2.gz FUGYJKGNHYYSNU-HZPDHXFCSA-N 1 3 264.457 3.418 20 0 CGADHO CCCN1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000233016765 376594245 /nfs/dbraw/zinc/59/42/45/376594245.db2.gz BZKANMBVJABISY-GOSISDBHSA-N 1 3 288.435 3.234 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137993 376612083 /nfs/dbraw/zinc/61/20/83/376612083.db2.gz CSPKEYDLJYEUSF-CJNGLKHVSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccc(F)c2F)[C@H](C)C1 ZINC000543137993 376612093 /nfs/dbraw/zinc/61/20/93/376612093.db2.gz CSPKEYDLJYEUSF-CJNGLKHVSA-N 1 3 296.405 3.169 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)CN1CCCC1 ZINC000235459870 376642028 /nfs/dbraw/zinc/64/20/28/376642028.db2.gz BWWWSSYJFVZFIV-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000339086060 376672968 /nfs/dbraw/zinc/67/29/68/376672968.db2.gz VVSGEMHFNWTVBZ-FPCVCCKLSA-N 1 3 294.483 3.185 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000545519929 376829602 /nfs/dbraw/zinc/82/96/02/376829602.db2.gz VCIWIZORWHTNMY-JYJNAYRXSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000545519929 376829609 /nfs/dbraw/zinc/82/96/09/376829609.db2.gz VCIWIZORWHTNMY-JYJNAYRXSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc2nccc(N3CCC(C[NH+](C)C)CC3)c2c1 ZINC000545483738 376825853 /nfs/dbraw/zinc/82/58/53/376825853.db2.gz LGDHLLGQCMHQIK-UHFFFAOYSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2CC[C@H]2CCCN2C)n1 ZINC000245576277 376859998 /nfs/dbraw/zinc/85/99/98/376859998.db2.gz BAWMATYNPSTDES-NVXWUHKLSA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)n1 ZINC000245576277 376860003 /nfs/dbraw/zinc/86/00/03/376860003.db2.gz BAWMATYNPSTDES-NVXWUHKLSA-N 1 3 273.424 3.011 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000556939318 376908036 /nfs/dbraw/zinc/90/80/36/376908036.db2.gz TZZRHSXODMAHBC-WCVJEAGWSA-N 1 3 252.446 3.451 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1Cl ZINC000246561678 377053542 /nfs/dbraw/zinc/05/35/42/377053542.db2.gz XEGXUMWIIHOYCX-SLEUVZQESA-N 1 3 296.842 3.167 20 0 CGADHO C[C@H](F)CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000340458613 377071828 /nfs/dbraw/zinc/07/18/28/377071828.db2.gz BIMCFDGPLBTLFQ-KBPBESRZSA-N 1 3 282.403 3.026 20 0 CGADHO CCc1ccccc1CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559312384 377078028 /nfs/dbraw/zinc/07/80/28/377078028.db2.gz SWHMWJCYENBIBV-IBGZPJMESA-N 1 3 286.463 3.209 20 0 CGADHO CCc1ccccc1CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559312384 377078037 /nfs/dbraw/zinc/07/80/37/377078037.db2.gz SWHMWJCYENBIBV-IBGZPJMESA-N 1 3 286.463 3.209 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246870283 377107488 /nfs/dbraw/zinc/10/74/88/377107488.db2.gz COGSYQCGEFQBHU-DZKIICNBSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246870283 377107493 /nfs/dbraw/zinc/10/74/93/377107493.db2.gz COGSYQCGEFQBHU-DZKIICNBSA-N 1 3 276.424 3.219 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC)cc2)C1 ZINC000246970744 377129345 /nfs/dbraw/zinc/12/93/45/377129345.db2.gz JDNJSZLEVIXGJL-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@]3(C)CCCO3)CC2)C1 ZINC000247027705 377142459 /nfs/dbraw/zinc/14/24/59/377142459.db2.gz LDVGJYILTBBHST-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@]3(C)CCCO3)CC2)C1 ZINC000247027705 377142472 /nfs/dbraw/zinc/14/24/72/377142472.db2.gz LDVGJYILTBBHST-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120763 377162648 /nfs/dbraw/zinc/16/26/48/377162648.db2.gz RDCSXWXZYVBURK-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120763 377162656 /nfs/dbraw/zinc/16/26/56/377162656.db2.gz RDCSXWXZYVBURK-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000247120763 377162664 /nfs/dbraw/zinc/16/26/64/377162664.db2.gz RDCSXWXZYVBURK-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H]2CCC[C@H]21 ZINC000560521861 377163452 /nfs/dbraw/zinc/16/34/52/377163452.db2.gz GXJMSZIROJUDKX-IXDOHACOSA-N 1 3 284.403 3.395 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000247202497 377177881 /nfs/dbraw/zinc/17/78/81/377177881.db2.gz WLXAEYKGBRTJOA-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO COc1c(C)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000561395726 377223827 /nfs/dbraw/zinc/22/38/27/377223827.db2.gz LKDQUCJKGLSCNW-DOTOQJQBSA-N 1 3 290.451 3.084 20 0 CGADHO COc1c(C)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000561395726 377223835 /nfs/dbraw/zinc/22/38/35/377223835.db2.gz LKDQUCJKGLSCNW-DOTOQJQBSA-N 1 3 290.451 3.084 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248064449 377264688 /nfs/dbraw/zinc/26/46/88/377264688.db2.gz MBCWPKOMHSPMTF-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248064449 377264699 /nfs/dbraw/zinc/26/46/99/377264699.db2.gz MBCWPKOMHSPMTF-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000249434012 377503535 /nfs/dbraw/zinc/50/35/35/377503535.db2.gz KJJKHZJBQPXQSX-QRQLOZEOSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000249434012 377503541 /nfs/dbraw/zinc/50/35/41/377503541.db2.gz KJJKHZJBQPXQSX-QRQLOZEOSA-N 1 3 286.463 3.281 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3)CCC2)C1 ZINC000563425989 377462802 /nfs/dbraw/zinc/46/28/02/377462802.db2.gz RJJDPQPCUOHHDY-IAGOWNOFSA-N 1 3 272.436 3.259 20 0 CGADHO COC1CCC([NH2+]CCCN(C)C2CCCCC2)CC1 ZINC000130021027 249046229 /nfs/dbraw/zinc/04/62/29/249046229.db2.gz FEMXWAPMQJMDAM-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000165993578 542174025 /nfs/dbraw/zinc/17/40/25/542174025.db2.gz PJPJBJRBCURSBE-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000165993578 542174030 /nfs/dbraw/zinc/17/40/30/542174030.db2.gz PJPJBJRBCURSBE-JKSUJKDBSA-N 1 3 278.827 3.099 20 0 CGADHO CSCc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000459522611 249154486 /nfs/dbraw/zinc/15/44/86/249154486.db2.gz UPMZBMLCHLSHAM-UHFFFAOYSA-N 1 3 290.476 3.266 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CCCCCOc2ccccc2)C1 ZINC000573844545 377583340 /nfs/dbraw/zinc/58/33/40/377583340.db2.gz AYWRBEGVKVJUCB-QGZVFWFLSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000518514622 249282372 /nfs/dbraw/zinc/28/23/72/249282372.db2.gz BOIXXDZHCWPSCR-BZPMIXESSA-N 1 3 250.386 3.010 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1CCCC1 ZINC000251473650 377584705 /nfs/dbraw/zinc/58/47/05/377584705.db2.gz WBSSPXSHBCTTQT-XHSDSOJGSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CN(Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251553671 377586554 /nfs/dbraw/zinc/58/65/54/377586554.db2.gz BJFHWNWKXLXISE-CXAGYDPISA-N 1 3 254.377 3.009 20 0 CGADHO CC(C)(CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000180392539 542209712 /nfs/dbraw/zinc/20/97/12/542209712.db2.gz YETSTUCVTOKFLE-QGZVFWFLSA-N 1 3 286.463 3.382 20 0 CGADHO CC(C)(C[N@@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000180392539 542209716 /nfs/dbraw/zinc/20/97/16/542209716.db2.gz YETSTUCVTOKFLE-QGZVFWFLSA-N 1 3 286.463 3.382 20 0 CGADHO CC(C)(C[N@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000180392539 542209720 /nfs/dbraw/zinc/20/97/20/542209720.db2.gz YETSTUCVTOKFLE-QGZVFWFLSA-N 1 3 286.463 3.382 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000251828416 377599772 /nfs/dbraw/zinc/59/97/72/377599772.db2.gz YTOHVPHYKFYNIO-CORIIIEPSA-N 1 3 280.387 3.002 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252133520 377615492 /nfs/dbraw/zinc/61/54/92/377615492.db2.gz MHEZRUHVIUQLMS-UGUYLWEFSA-N 1 3 264.457 3.418 20 0 CGADHO CC1CCN(C/C=C\C[NH+]2CCC(C)CC2)CC1 ZINC000255229867 377743889 /nfs/dbraw/zinc/74/38/89/377743889.db2.gz XNZCFXTWZZYKIT-ARJAWSKDSA-N 1 3 250.430 3.006 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000259035019 377802288 /nfs/dbraw/zinc/80/22/88/377802288.db2.gz OXVDCCMTNJCMKR-HOTGVXAUSA-N 1 3 260.425 3.050 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000261562963 377818567 /nfs/dbraw/zinc/81/85/67/377818567.db2.gz GQNHQAVWYVXBFS-RBSFLKMASA-N 1 3 250.430 3.077 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000261597261 377823376 /nfs/dbraw/zinc/82/33/76/377823376.db2.gz NDYONGCEHPUWLK-UHFFFAOYSA-N 1 3 283.419 3.056 20 0 CGADHO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261587679 377823501 /nfs/dbraw/zinc/82/35/01/377823501.db2.gz VCEYABINVFWZMW-QCODTGAPSA-N 1 3 250.430 3.075 20 0 CGADHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000261587679 377823513 /nfs/dbraw/zinc/82/35/13/377823513.db2.gz VCEYABINVFWZMW-QCODTGAPSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261929393 377869295 /nfs/dbraw/zinc/86/92/95/377869295.db2.gz LHQPXEXBVLFUOC-QIXHYMPYSA-N 1 3 276.399 3.144 20 0 CGADHO CC(C)[C@H](c1ccccc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261971082 377873660 /nfs/dbraw/zinc/87/36/60/377873660.db2.gz IGUKBIXNGSSHBW-SJORKVTESA-N 1 3 260.425 3.315 20 0 CGADHO C[C@H](CN1C[C@H](C[NH3+])C[C@H]1C)c1cccc(Cl)c1 ZINC000262016344 377880167 /nfs/dbraw/zinc/88/01/67/377880167.db2.gz VSXGYHBEDNKXFT-UPJWGTAASA-N 1 3 266.816 3.113 20 0 CGADHO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C2 ZINC000262044259 377883057 /nfs/dbraw/zinc/88/30/57/377883057.db2.gz CDOHSDGRQSNNTN-LWYYNNOASA-N 1 3 298.474 3.444 20 0 CGADHO C[NH2+]CCC1CCN(CCOc2c(C)cccc2C)CC1 ZINC000262083033 377884478 /nfs/dbraw/zinc/88/44/78/377884478.db2.gz KUIIRVSAXHKXJN-UHFFFAOYSA-N 1 3 290.451 3.004 20 0 CGADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000262117691 377888650 /nfs/dbraw/zinc/88/86/50/377888650.db2.gz KIEUEACCZNHYLJ-QGTPRVQTSA-N 1 3 295.430 3.102 20 0 CGADHO c1ccc2nc(CN3CCC([C@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261862142 377861057 /nfs/dbraw/zinc/86/10/57/377861057.db2.gz GBTCIEUMLWEGGO-GOSISDBHSA-N 1 3 295.430 3.199 20 0 CGADHO COc1ccc2oc([C@@H](C)[NH2+]CCCN(C)C)c(C)c2c1 ZINC000268726923 378097054 /nfs/dbraw/zinc/09/70/54/378097054.db2.gz RDLLFGSFOMMHDV-CYBMUJFWSA-N 1 3 290.407 3.352 20 0 CGADHO C[C@H](CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353652 378152708 /nfs/dbraw/zinc/15/27/08/378152708.db2.gz GUCFIQQEAYZMCM-PBHICJAKSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353652 378152711 /nfs/dbraw/zinc/15/27/11/378152711.db2.gz GUCFIQQEAYZMCM-PBHICJAKSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353652 378152714 /nfs/dbraw/zinc/15/27/14/378152714.db2.gz GUCFIQQEAYZMCM-PBHICJAKSA-N 1 3 276.399 3.005 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000578834237 378104221 /nfs/dbraw/zinc/10/42/21/378104221.db2.gz KKZJQTZSWIODTH-CQSZACIVSA-N 1 3 272.392 3.253 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@H]1OC ZINC000344079088 378157139 /nfs/dbraw/zinc/15/71/39/378157139.db2.gz SEGMAHGZAQUARF-KLHDSHLOSA-N 1 3 282.472 3.043 20 0 CGADHO CCCCOc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000583763682 378346240 /nfs/dbraw/zinc/34/62/40/378346240.db2.gz HUUIFZBMZPCQCF-JKSUJKDBSA-N 1 3 276.424 3.225 20 0 CGADHO C[N@H+]1CC=C(CN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271877903 378509585 /nfs/dbraw/zinc/50/95/85/378509585.db2.gz OMYMHVBBGWTGOB-QGZVFWFLSA-N 1 3 298.430 3.284 20 0 CGADHO C[N@@H+]1CC=C(CN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271877903 378509594 /nfs/dbraw/zinc/50/95/94/378509594.db2.gz OMYMHVBBGWTGOB-QGZVFWFLSA-N 1 3 298.430 3.284 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271866924 378510745 /nfs/dbraw/zinc/51/07/45/378510745.db2.gz LPFAEONRHYPZQW-MRXNPFEDSA-N 1 3 276.811 3.179 20 0 CGADHO COc1ccc([C@H](NCC[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000272035616 378549971 /nfs/dbraw/zinc/54/99/71/378549971.db2.gz NVJLEEVFOVXUMK-SJLPKXTDSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@H](NCC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035616 378549976 /nfs/dbraw/zinc/54/99/76/378549976.db2.gz NVJLEEVFOVXUMK-SJLPKXTDSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@H]([NH2+]CC[C@H]2CCCN2C)C2CC2)cc1 ZINC000272035616 378549980 /nfs/dbraw/zinc/54/99/80/378549980.db2.gz NVJLEEVFOVXUMK-SJLPKXTDSA-N 1 3 288.435 3.220 20 0 CGADHO C[C@@H]([NH2+]Cc1cccn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272188302 378580415 /nfs/dbraw/zinc/58/04/15/378580415.db2.gz LQDQXARFWVQFEC-SJLPKXTDSA-N 1 3 297.446 3.025 20 0 CGADHO CN(C)Cc1cccc(C[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000272343770 378617033 /nfs/dbraw/zinc/61/70/33/378617033.db2.gz ZFHZBBMHMIQASF-UHFFFAOYSA-N 1 3 290.451 3.184 20 0 CGADHO COc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000273019892 378734840 /nfs/dbraw/zinc/73/48/40/378734840.db2.gz CLBWQVYKTAVHOA-CQSZACIVSA-N 1 3 288.435 3.281 20 0 CGADHO CC[C@](C)(CNC1CC[NH+](CC2CCCC2)CC1)OC ZINC000638455030 378810524 /nfs/dbraw/zinc/81/05/24/378810524.db2.gz QTAJDZOZAWNNMM-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN(CC2CCCC2)CC1)OC ZINC000638455030 378810532 /nfs/dbraw/zinc/81/05/32/378810532.db2.gz QTAJDZOZAWNNMM-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)oc2cc1C ZINC000346827931 218026080 /nfs/dbraw/zinc/02/60/80/218026080.db2.gz MXXANCRAONFCQA-IAOVAPTHSA-N 1 3 284.403 3.219 20 0 CGADHO CO[C@@H](C[NH2+]Cc1cccc(CN(C)C)c1)C1CCCC1 ZINC000638849922 378935986 /nfs/dbraw/zinc/93/59/86/378935986.db2.gz DHKPEFGXVARWMS-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO CCO[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000347000867 218087830 /nfs/dbraw/zinc/08/78/30/218087830.db2.gz ZQPDVCOULCLAOH-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCNC2)C12CCCCC2 ZINC000347000867 218087833 /nfs/dbraw/zinc/08/78/33/218087833.db2.gz ZQPDVCOULCLAOH-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCNC2)C12CCCCC2 ZINC000347000867 218087835 /nfs/dbraw/zinc/08/78/35/218087835.db2.gz ZQPDVCOULCLAOH-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000351831812 284728605 /nfs/dbraw/zinc/72/86/05/284728605.db2.gz SRROOLCKINFZNA-CABCVRRESA-N 1 3 258.425 3.226 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CC[C@H]1c1ccccc1 ZINC000347014307 218093718 /nfs/dbraw/zinc/09/37/18/218093718.db2.gz WRINDRNSLODMLG-JFIYKMOQSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CC[C@H]1c1ccccc1 ZINC000347014307 218093720 /nfs/dbraw/zinc/09/37/20/218093720.db2.gz WRINDRNSLODMLG-JFIYKMOQSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000347014307 218093722 /nfs/dbraw/zinc/09/37/22/218093722.db2.gz WRINDRNSLODMLG-JFIYKMOQSA-N 1 3 272.436 3.112 20 0 CGADHO CCC[N@H+](Cc1cc2ccccc2o1)C1CCNCC1 ZINC000347166940 218143035 /nfs/dbraw/zinc/14/30/35/218143035.db2.gz LHRYGSLMIXEUSX-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO CCC[N@@H+](Cc1cc2ccccc2o1)C1CCNCC1 ZINC000347166940 218143037 /nfs/dbraw/zinc/14/30/37/218143037.db2.gz LHRYGSLMIXEUSX-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO Cc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ccc1Cl ZINC000347175468 218145369 /nfs/dbraw/zinc/14/53/69/218145369.db2.gz POSIVGZPMGJWQF-GFCCVEGCSA-N 1 3 266.816 3.208 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(c2ccnc3ccccc32)CC1 ZINC000277135298 379079023 /nfs/dbraw/zinc/07/90/23/379079023.db2.gz JNBVAFRWMIJTLV-CQSZACIVSA-N 1 3 269.392 3.155 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(OC)c(C)c1 ZINC000349407316 379271462 /nfs/dbraw/zinc/27/14/62/379271462.db2.gz NNDGEQFWIFPWMB-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(OC)c(C)c1 ZINC000349407316 379271466 /nfs/dbraw/zinc/27/14/66/379271466.db2.gz NNDGEQFWIFPWMB-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO CCSc1cccc(C[NH2+][C@@H](C)CCN(C)C)c1 ZINC000349663102 379336474 /nfs/dbraw/zinc/33/64/74/379336474.db2.gz CCEFFMZHQZQXOP-ZDUSSCGKSA-N 1 3 266.454 3.228 20 0 CGADHO C[C@H](c1ccc(F)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682606 379545933 /nfs/dbraw/zinc/54/59/33/379545933.db2.gz ZIJJIQYAMDUKTP-OAHLLOKOSA-N 1 3 299.393 3.494 20 0 CGADHO c1cncc([C@@H]2CCC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000639689950 379546642 /nfs/dbraw/zinc/54/66/42/379546642.db2.gz BVWCLPABLWUCDR-GOSISDBHSA-N 1 3 287.451 3.137 20 0 CGADHO c1cncc([C@@H]2CCC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000639689950 379546651 /nfs/dbraw/zinc/54/66/51/379546651.db2.gz BVWCLPABLWUCDR-GOSISDBHSA-N 1 3 287.451 3.137 20 0 CGADHO CC(C)Cc1ncc(CN2CCC(C[NH+](C)C)CC2)s1 ZINC000350174548 379522783 /nfs/dbraw/zinc/52/27/83/379522783.db2.gz CJXXZJJVERMHJE-UHFFFAOYSA-N 1 3 295.496 3.115 20 0 CGADHO CN1CCCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000351331698 379714317 /nfs/dbraw/zinc/71/43/17/379714317.db2.gz SFBKINOAWPZYEC-ZDUSSCGKSA-N 1 3 278.362 3.135 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502639 322274942 /nfs/dbraw/zinc/27/49/42/322274942.db2.gz HOGSHRXCCKSWIN-HZPDHXFCSA-N 1 3 250.430 3.149 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502639 322274943 /nfs/dbraw/zinc/27/49/43/322274943.db2.gz HOGSHRXCCKSWIN-HZPDHXFCSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@@H]2C=CCCCCC2)C1 ZINC000570502639 322274945 /nfs/dbraw/zinc/27/49/45/322274945.db2.gz HOGSHRXCCKSWIN-HZPDHXFCSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@@H]2C=CCCCCC2)C1 ZINC000570502639 322274947 /nfs/dbraw/zinc/27/49/47/322274947.db2.gz HOGSHRXCCKSWIN-HZPDHXFCSA-N 1 3 250.430 3.149 20 0 CGADHO C[C@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534852 379846370 /nfs/dbraw/zinc/84/63/70/379846370.db2.gz JVSRJYOBCNQWQI-PBHICJAKSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1CCN ZINC000352540136 379849431 /nfs/dbraw/zinc/84/94/31/379849431.db2.gz HNZRSYZOGUGHNL-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1CCN ZINC000352540136 379849435 /nfs/dbraw/zinc/84/94/35/379849435.db2.gz HNZRSYZOGUGHNL-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000380246364 379864133 /nfs/dbraw/zinc/86/41/33/379864133.db2.gz NIWFGZLEMQUEOE-BXUZGUMPSA-N 1 3 286.341 3.122 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@]1(C)CN ZINC000380246364 379864141 /nfs/dbraw/zinc/86/41/41/379864141.db2.gz NIWFGZLEMQUEOE-BXUZGUMPSA-N 1 3 286.341 3.122 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@]1(C)CN ZINC000380246364 379864147 /nfs/dbraw/zinc/86/41/47/379864147.db2.gz NIWFGZLEMQUEOE-BXUZGUMPSA-N 1 3 286.341 3.122 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392214195 379910083 /nfs/dbraw/zinc/91/00/83/379910083.db2.gz UGDRHWZHYKGDSF-HOTGVXAUSA-N 1 3 250.430 3.053 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)[C@@H]1CC1(C)C ZINC000397669796 379924634 /nfs/dbraw/zinc/92/46/34/379924634.db2.gz FLMUPEJFSXZCDY-ILXRZTDVSA-N 1 3 252.446 3.131 20 0 CGADHO CC[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402710544 379972052 /nfs/dbraw/zinc/97/20/52/379972052.db2.gz ULLPAICRKOFUBK-GRYCIOLGSA-N 1 3 266.351 3.085 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403339877 379974075 /nfs/dbraw/zinc/97/40/75/379974075.db2.gz GBMRALSOQUWPLR-LMMHAMTPSA-N 1 3 276.468 3.323 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)ccn1 ZINC000403315690 379974096 /nfs/dbraw/zinc/97/40/96/379974096.db2.gz BRDLQVWRKDDCTA-OWCLPIDISA-N 1 3 285.435 3.076 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1=CCN(C)CC1 ZINC000282796307 379991079 /nfs/dbraw/zinc/99/10/79/379991079.db2.gz ZARTZLFWFNDGML-CYBMUJFWSA-N 1 3 278.827 3.123 20 0 CGADHO Cc1ccnc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000286321283 380194754 /nfs/dbraw/zinc/19/47/54/380194754.db2.gz XOEGNFDXHMAAON-GOEBONIOSA-N 1 3 277.456 3.407 20 0 CGADHO Cc1ccnc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000286321289 380195500 /nfs/dbraw/zinc/19/55/00/380195500.db2.gz XOEGNFDXHMAAON-ZBFHGGJFSA-N 1 3 277.456 3.407 20 0 CGADHO CC(C)[NH+]1CCC(NCC2(C(F)(F)F)CCC2)CC1 ZINC000353953539 380252353 /nfs/dbraw/zinc/25/23/53/380252353.db2.gz FSOWQQBJPURAGE-UHFFFAOYSA-N 1 3 278.362 3.181 20 0 CGADHO Cc1ccc2nccc(N3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC000643038530 380207386 /nfs/dbraw/zinc/20/73/86/380207386.db2.gz XPTJXRNSKDDHKE-GOSISDBHSA-N 1 3 281.403 3.123 20 0 CGADHO CCCc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc2n1 ZINC000643034418 380207771 /nfs/dbraw/zinc/20/77/71/380207771.db2.gz ZHSYXYGJRRAIRW-RDTXWAMCSA-N 1 3 295.430 3.376 20 0 CGADHO Cc1cc(C[NH2+]CC2=CCN(C)CC2)ccc1C(F)(F)F ZINC000414425730 380229930 /nfs/dbraw/zinc/22/99/30/380229930.db2.gz FVEGYJHWBIOYIX-UHFFFAOYSA-N 1 3 298.352 3.365 20 0 CGADHO C[C@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@@H]1CCCNC1 ZINC000643482084 380318685 /nfs/dbraw/zinc/31/86/85/380318685.db2.gz ALPKGRFRIUMJRB-DZGCQCFKSA-N 1 3 296.405 3.265 20 0 CGADHO Cc1ccccc1C[C@H](NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643502413 380324288 /nfs/dbraw/zinc/32/42/88/380324288.db2.gz FQUWQQGYDIVECP-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO c1c[nH]c([C@H](NCC[C@H]2CCC[NH2+]C2)C2CCCCC2)n1 ZINC000643510695 380332675 /nfs/dbraw/zinc/33/26/75/380332675.db2.gz RUSQBDXVAWGHRP-GDBMZVCRSA-N 1 3 290.455 3.010 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000643512062 380334283 /nfs/dbraw/zinc/33/42/83/380334283.db2.gz GHVDLYGTCHBFGS-HNHYXYPQSA-N 1 3 280.362 3.059 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457456 380310316 /nfs/dbraw/zinc/31/03/16/380310316.db2.gz CYUVSTTZQLYNPV-GHMZBOCLSA-N 1 3 279.815 3.079 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460322 380311847 /nfs/dbraw/zinc/31/18/47/380311847.db2.gz PWFZFKNTPUHVIM-LAVFITLUSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)c1ccncc1 ZINC000643460322 380311852 /nfs/dbraw/zinc/31/18/52/380311852.db2.gz PWFZFKNTPUHVIM-LAVFITLUSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)[C@H]1CCCCO1 ZINC000643466782 380313053 /nfs/dbraw/zinc/31/30/53/380313053.db2.gz NLXCDBBYKAJUGV-BRWVUGGUSA-N 1 3 296.499 3.482 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548887 380364656 /nfs/dbraw/zinc/36/46/56/380364656.db2.gz WZOZGNPRFXQYOE-KKUMJFAQSA-N 1 3 268.420 3.169 20 0 CGADHO COc1cccc(C2CC[NH+](C[C@H](N)CC(C)C)CC2)c1 ZINC000414689085 380374468 /nfs/dbraw/zinc/37/44/68/380374468.db2.gz FOIKOJQOSBRRCB-QGZVFWFLSA-N 1 3 290.451 3.248 20 0 CGADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000643522487 380339049 /nfs/dbraw/zinc/33/90/49/380339049.db2.gz NXBQAYCLVJCVMW-AAEUAGOBSA-N 1 3 264.438 3.030 20 0 CGADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000643522490 380339271 /nfs/dbraw/zinc/33/92/71/380339271.db2.gz NXBQAYCLVJCVMW-YPMHNXCESA-N 1 3 264.438 3.030 20 0 CGADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643522305 380339532 /nfs/dbraw/zinc/33/95/32/380339532.db2.gz LHIMNKRTXPBNHO-ARFHVFGLSA-N 1 3 252.446 3.323 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000643524203 380340315 /nfs/dbraw/zinc/34/03/15/380340315.db2.gz VKCBXNRCALADNZ-ORQFMDKSSA-N 1 3 276.399 3.321 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000643527602 380343420 /nfs/dbraw/zinc/34/34/20/380343420.db2.gz PACZGRQSZAHXJU-GDLCADMTSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000643528347 380345293 /nfs/dbraw/zinc/34/52/93/380345293.db2.gz HJSPFGIJXXXQKE-NEPJUHHUSA-N 1 3 260.406 3.413 20 0 CGADHO C[C@@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529080 380347034 /nfs/dbraw/zinc/34/70/34/380347034.db2.gz ULKHSGAZLNRTNO-YPMHNXCESA-N 1 3 287.432 3.124 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1csc(Cl)c1 ZINC000643534904 380350799 /nfs/dbraw/zinc/35/07/99/380350799.db2.gz FMVRMUNECBQNIN-KOLCDFICSA-N 1 3 270.829 3.194 20 0 CGADHO CC(C)[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643536912 380353489 /nfs/dbraw/zinc/35/34/89/380353489.db2.gz YPFBOBMBBHXOPG-HZPDHXFCSA-N 1 3 294.389 3.394 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000643546609 380359300 /nfs/dbraw/zinc/35/93/00/380359300.db2.gz RPDDMXCFVSMGOI-GDBMZVCRSA-N 1 3 258.409 3.320 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414818483 380430922 /nfs/dbraw/zinc/43/09/22/380430922.db2.gz FDWIHVHAAMTTJV-WHOFXGATSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414818483 380430924 /nfs/dbraw/zinc/43/09/24/380430924.db2.gz FDWIHVHAAMTTJV-WHOFXGATSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414825974 380435615 /nfs/dbraw/zinc/43/56/15/380435615.db2.gz UWRBGQOVNSOVIZ-VNHYZAJKSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@@H]1[C@H](NCC2([NH3+])CCCCC2)C[C@@H]1c1ccccc1 ZINC000414836172 380444467 /nfs/dbraw/zinc/44/44/67/380444467.db2.gz FLXNQRQFNWBACF-BHYGNILZSA-N 1 3 272.436 3.430 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000414844409 380450084 /nfs/dbraw/zinc/45/00/84/380450084.db2.gz REFSXCGNJLESEJ-RYQLBKOJSA-N 1 3 274.452 3.233 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)CCc1ccc(Cl)s1 ZINC000414850592 380453833 /nfs/dbraw/zinc/45/38/33/380453833.db2.gz ZHRUVCZTOHESKJ-GHMZBOCLSA-N 1 3 274.861 3.168 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414850592 380453838 /nfs/dbraw/zinc/45/38/38/380453838.db2.gz ZHRUVCZTOHESKJ-GHMZBOCLSA-N 1 3 274.861 3.168 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000414854016 380455526 /nfs/dbraw/zinc/45/55/26/380455526.db2.gz LSXNDUADGOKMBP-JQHSSLGASA-N 1 3 272.436 3.086 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)CC(C)(C)c1ccccc1 ZINC000414787795 380404867 /nfs/dbraw/zinc/40/48/67/380404867.db2.gz CRDDBCGTPOGFFG-GDBMZVCRSA-N 1 3 262.441 3.316 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC000414787854 380405242 /nfs/dbraw/zinc/40/52/42/380405242.db2.gz LSUCLMJNPIBYKF-ZIAGYGMSSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000414790554 380406900 /nfs/dbraw/zinc/40/69/00/380406900.db2.gz AHTHUTYSNGFICQ-BXUZGUMPSA-N 1 3 286.341 3.231 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(OCC2CC2)cc1 ZINC000414793420 380408575 /nfs/dbraw/zinc/40/85/75/380408575.db2.gz DIUWRMBEUPPWHU-AEFFLSMTSA-N 1 3 288.435 3.083 20 0 CGADHO Cc1ccc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])ccc2n1 ZINC000414796823 380410651 /nfs/dbraw/zinc/41/06/51/380410651.db2.gz IBQLJRONADAEON-DLBZAZTESA-N 1 3 283.419 3.150 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000414797236 380411250 /nfs/dbraw/zinc/41/12/50/380411250.db2.gz IKQQCKJRTPIXNG-NJAFHUGGSA-N 1 3 274.452 3.362 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000414914577 380488174 /nfs/dbraw/zinc/48/81/74/380488174.db2.gz KTAUYPSEHOIBMU-NVXWUHKLSA-N 1 3 274.452 3.475 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(-c3ccccn3)c2)C1 ZINC000414927266 380492390 /nfs/dbraw/zinc/49/23/90/380492390.db2.gz ONUOILBDJNNKTP-IAGOWNOFSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2(C)CCNCC2)C1 ZINC000414932142 380493450 /nfs/dbraw/zinc/49/34/50/380493450.db2.gz CIYGJDDKVXYBSU-IAGOWNOFSA-N 1 3 272.436 3.229 20 0 CGADHO COc1ccc2cc(C[NH2+][C@@H]3CCCN[C@H]3C)ccc2c1 ZINC000414937290 380495092 /nfs/dbraw/zinc/49/50/92/380495092.db2.gz DHKZNAWCNHZXST-SCLBCKFNSA-N 1 3 284.403 3.079 20 0 CGADHO COCc1cccc(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415048839 380506904 /nfs/dbraw/zinc/50/69/04/380506904.db2.gz GHCKGXVYLFQZBY-LJQANCHMSA-N 1 3 298.430 3.403 20 0 CGADHO CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000414860803 380461288 /nfs/dbraw/zinc/46/12/88/380461288.db2.gz VUHLFTFRTKTZNF-ZMSDIMECSA-N 1 3 260.425 3.158 20 0 CGADHO CCOC[C@H]1CCC[C@H]1NCCC[NH+](C(C)C)C(C)C ZINC000354507702 380463860 /nfs/dbraw/zinc/46/38/60/380463860.db2.gz JBOKIXHWDBXXAD-IAGOWNOFSA-N 1 3 284.488 3.290 20 0 CGADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000354507702 380463867 /nfs/dbraw/zinc/46/38/67/380463867.db2.gz JBOKIXHWDBXXAD-IAGOWNOFSA-N 1 3 284.488 3.290 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000414872927 380468829 /nfs/dbraw/zinc/46/88/29/380468829.db2.gz GOXXWYQXYHBPBB-UHFFFAOYSA-N 1 3 296.414 3.333 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000414900344 380480255 /nfs/dbraw/zinc/48/02/55/380480255.db2.gz DETFFIJSRLAICH-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414901568 380481385 /nfs/dbraw/zinc/48/13/85/380481385.db2.gz GFCYMYNYTSQZGG-PBHICJAKSA-N 1 3 278.415 3.126 20 0 CGADHO C[N@H+](CCC1CC1)CC1CCN(c2ccncc2)CC1 ZINC000354876522 380563142 /nfs/dbraw/zinc/56/31/42/380563142.db2.gz GEEAIAPKXJTQLF-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO C[N@@H+](CCC1CC1)CC1CCN(c2ccncc2)CC1 ZINC000354876522 380563147 /nfs/dbraw/zinc/56/31/47/380563147.db2.gz GEEAIAPKXJTQLF-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO Cc1ccc(CCC[NH2+]CC(C)(C)CN2CCCC2)cn1 ZINC000355129989 380588751 /nfs/dbraw/zinc/58/87/51/380588751.db2.gz JRIYOADOQNZWFS-UHFFFAOYSA-N 1 3 289.467 3.034 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC45CC5)[C@H]3C2)cc1 ZINC000417345276 380601632 /nfs/dbraw/zinc/60/16/32/380601632.db2.gz XLTOFLZBPIBJBM-RDGPPVDQSA-N 1 3 296.458 3.287 20 0 CGADHO C[C@@H]1c2cc(F)cc(F)c2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420301624 380843892 /nfs/dbraw/zinc/84/38/92/380843892.db2.gz LSEWHNBGSMWUMQ-CHWSQXEVSA-N 1 3 294.389 3.274 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340001 380852900 /nfs/dbraw/zinc/85/29/00/380852900.db2.gz RTDQRPOXECBWRS-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCCC1 ZINC000359623282 381357197 /nfs/dbraw/zinc/35/71/97/381357197.db2.gz UPNBSPXYHRKCJC-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2c(c1)CNCC2 ZINC000211952741 542284930 /nfs/dbraw/zinc/28/49/30/542284930.db2.gz AKOAKUSNXLBGSU-ZIAGYGMSSA-N 1 3 258.409 3.095 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000360275444 381504054 /nfs/dbraw/zinc/50/40/54/381504054.db2.gz RHWMKJQAECRZTE-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252723138 542350924 /nfs/dbraw/zinc/35/09/24/542350924.db2.gz STTWAAKSLLRSKK-FUHWJXTLSA-N 1 3 272.436 3.267 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770428 220319618 /nfs/dbraw/zinc/31/96/18/220319618.db2.gz UQXLFBPVCRVMMA-HOCLYGCPSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770428 220319622 /nfs/dbraw/zinc/31/96/22/220319622.db2.gz UQXLFBPVCRVMMA-HOCLYGCPSA-N 1 3 285.435 3.473 20 0 CGADHO COC[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423275204 533086869 /nfs/dbraw/zinc/08/68/69/533086869.db2.gz MWFFMNQPSYUXHW-CJNGLKHVSA-N 1 3 296.842 3.007 20 0 CGADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](C)C[NH3+])cc1 ZINC000423316161 533129478 /nfs/dbraw/zinc/12/94/78/533129478.db2.gz ZPCKXORYULDRDY-HNAYVOBHSA-N 1 3 298.430 3.163 20 0 CGADHO COC[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCCC1 ZINC000446750209 285234943 /nfs/dbraw/zinc/23/49/43/285234943.db2.gz FWSWJRNSBYZCBN-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446750209 285234944 /nfs/dbraw/zinc/23/49/44/285234944.db2.gz FWSWJRNSBYZCBN-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@@H](NCCC[N@H+]1CCCC[C@H]1C)C1CCCC1 ZINC000446750209 285234947 /nfs/dbraw/zinc/23/49/47/285234947.db2.gz FWSWJRNSBYZCBN-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305108768 542416738 /nfs/dbraw/zinc/41/67/38/542416738.db2.gz DXEIDGJUUCHUPE-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305108768 542416741 /nfs/dbraw/zinc/41/67/41/542416741.db2.gz DXEIDGJUUCHUPE-NXHRZFHOSA-N 1 3 296.499 3.026 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423457101 533189323 /nfs/dbraw/zinc/18/93/23/533189323.db2.gz FJBJXSMSLQVEKR-CLCXKQKWSA-N 1 3 298.430 3.304 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348108664 542514911 /nfs/dbraw/zinc/51/49/11/542514911.db2.gz SHIURCKNIQAXBM-IAGOWNOFSA-N 1 3 258.409 3.026 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451101 224579529 /nfs/dbraw/zinc/57/95/29/224579529.db2.gz HJGPMGQOBSVQME-IXDOHACOSA-N 1 3 258.409 3.005 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000282055163 195490563 /nfs/dbraw/zinc/49/05/63/195490563.db2.gz GOJWYQDOHZBALZ-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CCS2 ZINC000423399745 533300356 /nfs/dbraw/zinc/30/03/56/533300356.db2.gz UXYDVHYTYQQTRZ-TYNCELHUSA-N 1 3 292.448 3.092 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365001536 533439239 /nfs/dbraw/zinc/43/92/39/533439239.db2.gz MYPLUORZGVIJKP-BZZMCLGOSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000365001536 533439242 /nfs/dbraw/zinc/43/92/42/533439242.db2.gz MYPLUORZGVIJKP-BZZMCLGOSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]([NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H](C)N ZINC000423446141 533537713 /nfs/dbraw/zinc/53/77/13/533537713.db2.gz NZZLZTJDVYGDLP-RBZYPMLTSA-N 1 3 286.341 3.482 20 0 CGADHO CC(C)(C)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414922884 542641156 /nfs/dbraw/zinc/64/11/56/542641156.db2.gz HQDHLFRIKZJVJS-NWDGAFQWSA-N 1 3 266.454 3.405 20 0 CGADHO CC(C)(CNCCC[NH3+])c1c(Cl)cccc1Cl ZINC000415119188 542642419 /nfs/dbraw/zinc/64/24/19/542642419.db2.gz XDGPLRDNOIGLOK-UHFFFAOYSA-N 1 3 275.223 3.209 20 0 CGADHO CC(C)(C[NH2+]CCCN)c1c(Cl)cccc1Cl ZINC000415119188 542642421 /nfs/dbraw/zinc/64/24/21/542642421.db2.gz XDGPLRDNOIGLOK-UHFFFAOYSA-N 1 3 275.223 3.209 20 0 CGADHO CC1(C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000415003496 542642059 /nfs/dbraw/zinc/64/20/59/542642059.db2.gz NFHFZRMHMNVPDC-DOTOQJQBSA-N 1 3 290.426 3.299 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649319 391982584 /nfs/dbraw/zinc/98/25/84/391982584.db2.gz JKIIKXASMVTAQT-CABCVRRESA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649319 391982588 /nfs/dbraw/zinc/98/25/88/391982588.db2.gz JKIIKXASMVTAQT-CABCVRRESA-N 1 3 258.409 3.130 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)CN1CCCC1 ZINC000069382896 392172631 /nfs/dbraw/zinc/17/26/31/392172631.db2.gz RWQXXFGBTXTZNS-HZSPNIEDSA-N 1 3 292.389 3.429 20 0 CGADHO CC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CCC1 ZINC000434779375 542656696 /nfs/dbraw/zinc/65/66/96/542656696.db2.gz UZQPREGIKXIKLJ-UHFFFAOYSA-N 1 3 264.457 3.421 20 0 CGADHO Cc1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285505273 392324296 /nfs/dbraw/zinc/32/42/96/392324296.db2.gz NAFRSGWXYLHKPO-JWTNVVGKSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285505273 392324301 /nfs/dbraw/zinc/32/43/01/392324301.db2.gz NAFRSGWXYLHKPO-JWTNVVGKSA-N 1 3 272.436 3.095 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC000249372146 131122000 /nfs/dbraw/zinc/12/20/00/131122000.db2.gz DBNLRYKVXFWCIJ-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC000249372146 131121999 /nfs/dbraw/zinc/12/19/99/131121999.db2.gz DBNLRYKVXFWCIJ-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000249374732 131121689 /nfs/dbraw/zinc/12/16/89/131121689.db2.gz HUOZIXJNPNZSRC-WFASDCNBSA-N 1 3 294.439 3.294 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000249372146 131121997 /nfs/dbraw/zinc/12/19/97/131121997.db2.gz DBNLRYKVXFWCIJ-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCN(C)C ZINC000151917846 392489701 /nfs/dbraw/zinc/48/97/01/392489701.db2.gz MZKLIDHCJIBSDM-NSHDSACASA-N 1 3 269.458 3.177 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393245 392608783 /nfs/dbraw/zinc/60/87/83/392608783.db2.gz IAUWAJQRCDQRFA-JKIFEVAISA-N 1 3 272.436 3.481 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393245 392608786 /nfs/dbraw/zinc/60/87/86/392608786.db2.gz IAUWAJQRCDQRFA-JKIFEVAISA-N 1 3 272.436 3.481 20 0 CGADHO CC(C)C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647282313 392635367 /nfs/dbraw/zinc/63/53/67/392635367.db2.gz NPHOOVNRFXPTEE-QAPCUYQASA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282313 392635375 /nfs/dbraw/zinc/63/53/75/392635375.db2.gz NPHOOVNRFXPTEE-QAPCUYQASA-N 1 3 287.451 3.243 20 0 CGADHO C[C@H](CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479692 392735457 /nfs/dbraw/zinc/73/54/57/392735457.db2.gz PVEXZQXAWFTLQV-UWWQBHOKSA-N 1 3 290.426 3.393 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)C2)CC[C@H]1N ZINC000647498265 392742473 /nfs/dbraw/zinc/74/24/73/392742473.db2.gz DHUBAMACWOOYBM-RRFJBIMHSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CC[C@H]1N ZINC000647498265 392742476 /nfs/dbraw/zinc/74/24/76/392742476.db2.gz DHUBAMACWOOYBM-RRFJBIMHSA-N 1 3 252.446 3.262 20 0 CGADHO c1ccc2oc([C@H]3CCCN(C[C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000647513614 392745928 /nfs/dbraw/zinc/74/59/28/392745928.db2.gz PLRQGKWFQYEOFZ-GJZGRUSLSA-N 1 3 299.418 3.007 20 0 CGADHO Fc1ccc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000647515832 392747741 /nfs/dbraw/zinc/74/77/41/392747741.db2.gz SGWWITUMAZCNOF-ZDUSSCGKSA-N 1 3 294.389 3.144 20 0 CGADHO Fc1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542834 392760232 /nfs/dbraw/zinc/76/02/32/392760232.db2.gz COKGDFHPNRDVOW-HOTGVXAUSA-N 1 3 276.399 3.037 20 0 CGADHO CC[C@@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000181117917 392720146 /nfs/dbraw/zinc/72/01/46/392720146.db2.gz JDJGZGYEJXBGTH-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H](C)[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000181117917 392720151 /nfs/dbraw/zinc/72/01/51/392720151.db2.gz JDJGZGYEJXBGTH-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H](C)[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000181117917 392720157 /nfs/dbraw/zinc/72/01/57/392720157.db2.gz JDJGZGYEJXBGTH-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO COc1ccc([C@H]2CCCCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647873531 392818812 /nfs/dbraw/zinc/81/88/12/392818812.db2.gz WPALZODPWWAILF-MAUKXSAKSA-N 1 3 288.435 3.222 20 0 CGADHO Cc1ccc([C@H]2CCCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884939 392827134 /nfs/dbraw/zinc/82/71/34/392827134.db2.gz OFPZVMJLNUQYRI-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Fc1cccc(CCN(C[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647891623 392828684 /nfs/dbraw/zinc/82/86/84/392828684.db2.gz YNVWWKKJYWYZAK-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@H]1CC[NH2+]C1 ZINC000647990199 392858405 /nfs/dbraw/zinc/85/84/05/392858405.db2.gz FAFROCONCXZGIY-ZOBUZTSGSA-N 1 3 288.435 3.078 20 0 CGADHO C[C@H](CCc1ccccc1)[NH+]1CCC(N(C)C)CC1 ZINC000193413294 392876287 /nfs/dbraw/zinc/87/62/87/392876287.db2.gz ZKDKGRMYMWXNTL-OAHLLOKOSA-N 1 3 260.425 3.034 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000415011550 393095300 /nfs/dbraw/zinc/09/53/00/393095300.db2.gz QRYBHKIATBRODP-RYUDHWBXSA-N 1 3 260.406 3.240 20 0 CGADHO Fc1ccc2oc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2c1 ZINC000415013009 393095508 /nfs/dbraw/zinc/09/55/08/393095508.db2.gz UHKUDAPRKQAENB-JKSUJKDBSA-N 1 3 288.366 3.050 20 0 CGADHO C(C1CC1)[N@H+](C[C@H]1CCCNC1)C1CCCCC1 ZINC000346848728 393096705 /nfs/dbraw/zinc/09/67/05/393096705.db2.gz QPSPAIYRXAPDDL-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CC1)[N@@H+](C[C@H]1CCCNC1)C1CCCCC1 ZINC000346848728 393096711 /nfs/dbraw/zinc/09/67/11/393096711.db2.gz QPSPAIYRXAPDDL-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@H]1C[C@@H](CN2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692207 393052383 /nfs/dbraw/zinc/05/23/83/393052383.db2.gz KJBYCBFNRNBWEU-STQMWFEESA-N 1 3 278.827 3.086 20 0 CGADHO C[C@H]1C[C@H](CN2CCc3cc(Cl)ccc3C2)CC[NH2+]1 ZINC000414748083 393054972 /nfs/dbraw/zinc/05/49/72/393054972.db2.gz VYHZZGIQXNABNF-QWHCGFSZSA-N 1 3 278.827 3.086 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC000414952083 393061391 /nfs/dbraw/zinc/06/13/91/393061391.db2.gz QLSZZOCPWKQYBL-UBDQQSCGSA-N 1 3 272.436 3.361 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCNC[C@H]1C ZINC000414955196 393063521 /nfs/dbraw/zinc/06/35/21/393063521.db2.gz LUTBTZIQMYFCNS-DOMZBBRYSA-N 1 3 266.816 3.044 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(Cl)c2Cl)C1 ZINC000415035604 393107629 /nfs/dbraw/zinc/10/76/29/393107629.db2.gz KXVXLGNAFFPIJQ-CBAPKCEASA-N 1 3 279.236 3.272 20 0 CGADHO CC(C)(C)c1ncc(CNCCC[C@@H]2CCC[NH2+]2)s1 ZINC000414982106 393079079 /nfs/dbraw/zinc/07/90/79/393079079.db2.gz YJAUUCYDPHOQEW-GFCCVEGCSA-N 1 3 281.469 3.062 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCNC1CC1)CC3 ZINC000415064293 393123404 /nfs/dbraw/zinc/12/34/04/393123404.db2.gz CHQLFVIVFUKPGP-OAHLLOKOSA-N 1 3 297.446 3.065 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCCNC1 ZINC000415073207 393130072 /nfs/dbraw/zinc/13/00/72/393130072.db2.gz NFJOKTAAJQTTRP-WFASDCNBSA-N 1 3 266.816 3.003 20 0 CGADHO Cc1cccc(C)c1OCCCNC[C@@H]([NH3+])CC(C)C ZINC000415088762 393140455 /nfs/dbraw/zinc/14/04/55/393140455.db2.gz XWNWYQINZWKIEA-INIZCTEOSA-N 1 3 278.440 3.035 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1cc2ccccc2o1 ZINC000415092926 393142612 /nfs/dbraw/zinc/14/26/12/393142612.db2.gz UIZJMQNCIPKXTH-DZGCQCFKSA-N 1 3 272.392 3.096 20 0 CGADHO CC(C)([NH3+])CNCCc1cccc(-c2ccccc2)c1 ZINC000415091525 393142937 /nfs/dbraw/zinc/14/29/37/393142937.db2.gz QOKLMLVZLUFOJC-UHFFFAOYSA-N 1 3 268.404 3.223 20 0 CGADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415104073 393147067 /nfs/dbraw/zinc/14/70/67/393147067.db2.gz DMJAPKDXDGGKPG-RCCFBDPRSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](C)c1ccc(F)cc1F ZINC000415116718 393148896 /nfs/dbraw/zinc/14/88/96/393148896.db2.gz VCBGIQOTURVEIO-SCRDCRAPSA-N 1 3 282.378 3.189 20 0 CGADHO C[C@@H]1CCN(Cc2cc3ccccc3s2)C[C@H]1C[NH3+] ZINC000415124441 393151627 /nfs/dbraw/zinc/15/16/27/393151627.db2.gz KFCPDGOWVAIWSX-TZMCWYRMSA-N 1 3 274.433 3.318 20 0 CGADHO CCSc1cccc(C[NH2+]CC(C)(C)CN(C)C)c1 ZINC000471962898 393322699 /nfs/dbraw/zinc/32/26/99/393322699.db2.gz AWNQCEQODRFATK-UHFFFAOYSA-N 1 3 280.481 3.476 20 0 CGADHO CC[C@](C)(NCCCC1CC[NH2+]CC1)c1nc(C)cs1 ZINC000649414732 393415561 /nfs/dbraw/zinc/41/55/61/393415561.db2.gz UHMXPHPEPVNLMX-INIZCTEOSA-N 1 3 295.496 3.446 20 0 CGADHO CC[N@H+](CCCc1ccsc1)[C@H]1CCCNCC1 ZINC000420305194 393457701 /nfs/dbraw/zinc/45/77/01/393457701.db2.gz GEVQUAKSTQEPLB-HNNXBMFYSA-N 1 3 266.454 3.145 20 0 CGADHO CC[N@@H+](CCCc1ccsc1)[C@H]1CCCNCC1 ZINC000420305194 393457705 /nfs/dbraw/zinc/45/77/05/393457705.db2.gz GEVQUAKSTQEPLB-HNNXBMFYSA-N 1 3 266.454 3.145 20 0 CGADHO Cc1nc(C)c([C@H](C)N(C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420311418 393458865 /nfs/dbraw/zinc/45/88/65/393458865.db2.gz HBVLPPMTQVBABH-GXTWGEPZSA-N 1 3 281.469 3.142 20 0 CGADHO CCc1nc(C)c([C@H](C)N(C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420316822 393464045 /nfs/dbraw/zinc/46/40/45/393464045.db2.gz MJOFPHIOCWGNGZ-STQMWFEESA-N 1 3 281.469 3.006 20 0 CGADHO CC[C@H](OCC[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000649530716 393467534 /nfs/dbraw/zinc/46/75/34/393467534.db2.gz GDXYGZRQNQCKLE-AEFFLSMTSA-N 1 3 290.451 3.038 20 0 CGADHO CC[C@H](OCC[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000649530716 393467540 /nfs/dbraw/zinc/46/75/40/393467540.db2.gz GDXYGZRQNQCKLE-AEFFLSMTSA-N 1 3 290.451 3.038 20 0 CGADHO CSc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420339067 393469595 /nfs/dbraw/zinc/46/95/95/393469595.db2.gz QDIURZYMJIWXSH-INIZCTEOSA-N 1 3 290.476 3.373 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346703 393472821 /nfs/dbraw/zinc/47/28/21/393472821.db2.gz XFROIECMWBWMCR-IIYDPXPESA-N 1 3 294.389 3.347 20 0 CGADHO Cc1ccc(OCCC[NH2+][C@@H]2CCNCC2(C)C)cc1C ZINC000420356801 393473007 /nfs/dbraw/zinc/47/30/07/393473007.db2.gz GNEZKEODUVHGPW-QGZVFWFLSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1ccc(OCCCN[C@@H]2CC[NH2+]CC2(C)C)cc1C ZINC000420356801 393473013 /nfs/dbraw/zinc/47/30/13/393473013.db2.gz GNEZKEODUVHGPW-QGZVFWFLSA-N 1 3 290.451 3.050 20 0 CGADHO C[C@H]([NH2+][C@@H]1[C@H](C)CCN[C@@H]1C)c1cccc(Cl)c1 ZINC000420376163 393478609 /nfs/dbraw/zinc/47/86/09/393478609.db2.gz UUNQTBSFZCLTKI-NWJSVONSSA-N 1 3 266.816 3.377 20 0 CGADHO Cc1cccc([C@@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420381001 393479574 /nfs/dbraw/zinc/47/95/74/393479574.db2.gz ROOCRCZHNISRGJ-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO c1cc(CCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420404364 393484783 /nfs/dbraw/zinc/48/47/83/393484783.db2.gz RYIYLGVYYWXFPK-JKSUJKDBSA-N 1 3 278.465 3.145 20 0 CGADHO c1ccc([C@H](CC2CCC2)NC[C@H]2CC[NH2+]C2)cc1 ZINC000420421335 393486786 /nfs/dbraw/zinc/48/67/86/393486786.db2.gz YRTXTIBJEBUWEU-RDJZCZTQSA-N 1 3 258.409 3.117 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000430147236 393530126 /nfs/dbraw/zinc/53/01/26/393530126.db2.gz KVVLZUGKMXIICB-GOSISDBHSA-N 1 3 272.436 3.139 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000430147236 393530130 /nfs/dbraw/zinc/53/01/30/393530130.db2.gz KVVLZUGKMXIICB-GOSISDBHSA-N 1 3 272.436 3.139 20 0 CGADHO Cc1ccc(SCCN[C@@](C)(C[NH3+])C2CC2)cc1C ZINC000430569414 393577316 /nfs/dbraw/zinc/57/73/16/393577316.db2.gz IRLYMTLGBPOYLZ-INIZCTEOSA-N 1 3 278.465 3.113 20 0 CGADHO NC1(C[NH2+]Cc2cccc3cnccc32)CCCCCC1 ZINC000666808154 542817330 /nfs/dbraw/zinc/81/73/30/542817330.db2.gz BLOZYJVCXLCZPU-UHFFFAOYSA-N 1 3 283.419 3.376 20 0 CGADHO CCc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422752858 393642013 /nfs/dbraw/zinc/64/20/13/393642013.db2.gz HQAVXENVQDXIOO-DLBZAZTESA-N 1 3 260.425 3.041 20 0 CGADHO CCc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422751500 393642856 /nfs/dbraw/zinc/64/28/56/393642856.db2.gz GCRKTTKLEIKJBG-AWEZNQCLSA-N 1 3 297.446 3.304 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423059765 393650721 /nfs/dbraw/zinc/65/07/21/393650721.db2.gz GLOZKWYKJHKRRY-STQMWFEESA-N 1 3 296.405 3.492 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CCC(F)(F)CC1 ZINC000423285518 393659487 /nfs/dbraw/zinc/65/94/87/393659487.db2.gz YLXRJYHHDHQZFM-YUTCNCBUSA-N 1 3 274.399 3.308 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CCN1 ZINC000423368428 393663311 /nfs/dbraw/zinc/66/33/11/393663311.db2.gz AXIMLHVSICIJFT-BYNQJWBRSA-N 1 3 264.438 3.417 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCCc3ccccc32)C1 ZINC000423364561 393663878 /nfs/dbraw/zinc/66/38/78/393663878.db2.gz AVFSGTRFXRWJQE-INMHGKMJSA-N 1 3 258.409 3.314 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CCCCC1 ZINC000423380811 393665000 /nfs/dbraw/zinc/66/50/00/393665000.db2.gz OCKNVRALUQURFC-IMJJTQAJSA-N 1 3 252.446 3.466 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000441452542 393736816 /nfs/dbraw/zinc/73/68/16/393736816.db2.gz WRIDOXOZUPCXQM-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000441452542 393736818 /nfs/dbraw/zinc/73/68/18/393736818.db2.gz WRIDOXOZUPCXQM-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[C@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000500100607 393817625 /nfs/dbraw/zinc/81/76/25/393817625.db2.gz YPTMGBOYAJEUTH-YESZJQIVSA-N 1 3 296.499 3.386 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000449444534 393881656 /nfs/dbraw/zinc/88/16/56/393881656.db2.gz BNPXGKITCCZSGD-JKIFEVAISA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H](C)O ZINC000449538041 393888482 /nfs/dbraw/zinc/88/84/82/393888482.db2.gz GUPSLFABTVTSOO-HOCLYGCPSA-N 1 3 298.515 3.415 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[C@H](C)O ZINC000449538041 393888484 /nfs/dbraw/zinc/88/84/84/393888484.db2.gz GUPSLFABTVTSOO-HOCLYGCPSA-N 1 3 298.515 3.415 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000501471435 393854381 /nfs/dbraw/zinc/85/43/81/393854381.db2.gz ZFWXBDXOGGVPJI-IAGOWNOFSA-N 1 3 290.451 3.220 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@@H](C)C1 ZINC000666995101 542832856 /nfs/dbraw/zinc/83/28/56/542832856.db2.gz DIKVCNUJNAELRY-BARDWOONSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995767 542833641 /nfs/dbraw/zinc/83/36/41/542833641.db2.gz ZSSHMVWZCPPCPA-RHSMWYFYSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995694 542833997 /nfs/dbraw/zinc/83/39/97/542833997.db2.gz WRMVYUOODLCQPH-DOTOQJQBSA-N 1 3 272.436 3.272 20 0 CGADHO CCc1ccc2nccc(N3CC[C@@]4(CC[N@H+](C)C4)C3)c2c1 ZINC000450537674 394012024 /nfs/dbraw/zinc/01/20/24/394012024.db2.gz DILVFNRIDMIUQO-LJQANCHMSA-N 1 3 295.430 3.329 20 0 CGADHO CCc1ccc2nccc(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000450537674 394012029 /nfs/dbraw/zinc/01/20/29/394012029.db2.gz DILVFNRIDMIUQO-LJQANCHMSA-N 1 3 295.430 3.329 20 0 CGADHO CCC[C@H]([NH2+]CCCCN1CCN(CC)CC1)C(C)(C)C ZINC000453062951 394157229 /nfs/dbraw/zinc/15/72/29/394157229.db2.gz RGOQJLLRLBIMFM-KRWDZBQOSA-N 1 3 297.531 3.209 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453089548 394167678 /nfs/dbraw/zinc/16/76/78/394167678.db2.gz KHUHBFUZOBZFAO-MRXNPFEDSA-N 1 3 286.463 3.256 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CCN(CCC)C1)C1CCC1 ZINC000453102886 394171622 /nfs/dbraw/zinc/17/16/22/394171622.db2.gz VXKQERQOPQGNNM-GOEBONIOSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cccc(CNCCCC[N@@H+](C)C2CC2)c1F ZINC000453603352 394255304 /nfs/dbraw/zinc/25/53/04/394255304.db2.gz XTJMQPGBXDKLNE-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO Cc1cccc(CNCCCC[N@H+](C)C2CC2)c1F ZINC000453603352 394255307 /nfs/dbraw/zinc/25/53/07/394255307.db2.gz XTJMQPGBXDKLNE-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO Cc1ccc2cc(C[N@@H+](C)C[C@H]3CCCN(C)C3)[nH]c2c1 ZINC000667517853 542883071 /nfs/dbraw/zinc/88/30/71/542883071.db2.gz HPMGSRPHCLABNR-HNNXBMFYSA-N 1 3 285.435 3.250 20 0 CGADHO Cc1ccc2cc(C[N@H+](C)C[C@H]3CCCN(C)C3)[nH]c2c1 ZINC000667517853 542883073 /nfs/dbraw/zinc/88/30/73/542883073.db2.gz HPMGSRPHCLABNR-HNNXBMFYSA-N 1 3 285.435 3.250 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)C(C)(C)C ZINC000670265735 543148261 /nfs/dbraw/zinc/14/82/61/543148261.db2.gz ZIZYOUULFOXRKA-RBSFLKMASA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)C(C)(C)C ZINC000670265735 543148263 /nfs/dbraw/zinc/14/82/63/543148263.db2.gz ZIZYOUULFOXRKA-RBSFLKMASA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000670267247 543148912 /nfs/dbraw/zinc/14/89/12/543148912.db2.gz WXWIRQQJWBJCFS-CABCVRRESA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176799 289100819 /nfs/dbraw/zinc/10/08/19/289100819.db2.gz FVDMZILAUQAXBK-IAGOWNOFSA-N 1 3 258.409 3.378 20 0 CGADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551176799 289100820 /nfs/dbraw/zinc/10/08/20/289100820.db2.gz FVDMZILAUQAXBK-IAGOWNOFSA-N 1 3 258.409 3.378 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3CCC[C@@H]3[NH3+])CCC2)cc1C ZINC000423088522 292089881 /nfs/dbraw/zinc/08/98/81/292089881.db2.gz QJXPRBSOWDMQKX-DLBZAZTESA-N 1 3 272.436 3.195 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)CN1CCCC1 ZINC000062078661 397638148 /nfs/dbraw/zinc/63/81/48/397638148.db2.gz IYWPXJZAYJPPJO-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000301679393 397675264 /nfs/dbraw/zinc/67/52/64/397675264.db2.gz OPGVLVAVLUWFCT-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@@H](OCC[NH2+]C[C@@H](N)CC(C)C)c1ccccc1 ZINC000650710383 397898233 /nfs/dbraw/zinc/89/82/33/397898233.db2.gz OJCCNVAQPYCSLD-DLBZAZTESA-N 1 3 278.440 3.117 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc2cccnc12 ZINC000650711120 397898821 /nfs/dbraw/zinc/89/88/21/397898821.db2.gz JFIOAQBRTHPYIJ-RDTXWAMCSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCN)cc2cccnc12 ZINC000650711120 397898823 /nfs/dbraw/zinc/89/88/23/397898823.db2.gz JFIOAQBRTHPYIJ-RDTXWAMCSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)cc2cccnc12 ZINC000650711120 397898824 /nfs/dbraw/zinc/89/88/24/397898824.db2.gz JFIOAQBRTHPYIJ-RDTXWAMCSA-N 1 3 297.446 3.493 20 0 CGADHO C[C@@H](Cc1ccccc1F)NCc1ccc(C[NH3+])cc1F ZINC000650717211 397901200 /nfs/dbraw/zinc/90/12/00/397901200.db2.gz UYFUJNBTIYXESG-LBPRGKRZSA-N 1 3 290.357 3.144 20 0 CGADHO [NH3+]CC1(CCN[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000650747228 397906709 /nfs/dbraw/zinc/90/67/09/397906709.db2.gz VDDBGHXMHUQOIE-KRWDZBQOSA-N 1 3 299.393 3.029 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](c1cccnc1)C1CCC1 ZINC000650757317 397910548 /nfs/dbraw/zinc/91/05/48/397910548.db2.gz UNSQWGKGCARDSA-IBGZPJMESA-N 1 3 295.430 3.432 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1cccc2F ZINC000650758029 397910707 /nfs/dbraw/zinc/91/07/07/397910707.db2.gz HHYDJYCQIKJPOA-SFHVURJKSA-N 1 3 284.378 3.322 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1cccc2C ZINC000650758704 397911029 /nfs/dbraw/zinc/91/10/29/397911029.db2.gz WBFVMXHQCCLQHI-IBGZPJMESA-N 1 3 280.415 3.492 20 0 CGADHO C[C@@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000675779200 543364609 /nfs/dbraw/zinc/36/46/09/543364609.db2.gz RMSRTKTXEWTKGS-LSDHHAIUSA-N 1 3 290.451 3.324 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000675779197 543364646 /nfs/dbraw/zinc/36/46/46/543364646.db2.gz RMSRTKTXEWTKGS-CABCVRRESA-N 1 3 290.451 3.324 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000675894775 543371296 /nfs/dbraw/zinc/37/12/96/543371296.db2.gz ZAHWJZKUKKKPGP-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000675894775 543371299 /nfs/dbraw/zinc/37/12/99/543371299.db2.gz ZAHWJZKUKKKPGP-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000676901207 543423193 /nfs/dbraw/zinc/42/31/93/543423193.db2.gz UERQBKMQAPJJGC-ARFHVFGLSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc([C@H](C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677239957 543440498 /nfs/dbraw/zinc/44/04/98/543440498.db2.gz ANRJAXNMGSKHBP-NJAFHUGGSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1ccc([C@H](C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677239957 543440500 /nfs/dbraw/zinc/44/05/00/543440500.db2.gz ANRJAXNMGSKHBP-NJAFHUGGSA-N 1 3 272.436 3.315 20 0 CGADHO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000677129301 543434379 /nfs/dbraw/zinc/43/43/79/543434379.db2.gz JELLDMAACMZMTR-KRWDZBQOSA-N 1 3 294.389 3.418 20 0 CGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678120902 543484808 /nfs/dbraw/zinc/48/48/08/543484808.db2.gz KUOGMSDUSKKFOT-HNNXBMFYSA-N 1 3 276.424 3.001 20 0 CGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678120902 543484810 /nfs/dbraw/zinc/48/48/10/543484810.db2.gz KUOGMSDUSKKFOT-HNNXBMFYSA-N 1 3 276.424 3.001 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423182648 286023111 /nfs/dbraw/zinc/02/31/11/286023111.db2.gz QURQODADFKCYEE-ZBFHGGJFSA-N 1 3 276.424 3.014 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678238909 543499741 /nfs/dbraw/zinc/49/97/41/543499741.db2.gz LMRKTBQJKLVGOG-UHFFFAOYSA-N 1 3 283.419 3.008 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2nccc3ccccc32)CC1 ZINC000678238909 543499742 /nfs/dbraw/zinc/49/97/42/543499742.db2.gz LMRKTBQJKLVGOG-UHFFFAOYSA-N 1 3 283.419 3.008 20 0 CGADHO CC[C@@]1(C)CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678285514 543511392 /nfs/dbraw/zinc/51/13/92/543511392.db2.gz JYKIZCVKIMUZOT-SFHVURJKSA-N 1 3 290.451 3.249 20 0 CGADHO CC[C@@]1(C)CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000678285514 543511394 /nfs/dbraw/zinc/51/13/94/543511394.db2.gz JYKIZCVKIMUZOT-SFHVURJKSA-N 1 3 290.451 3.249 20 0 CGADHO c1cc(N2CCC([NH2+]C3CCCCCC3)CC2)ccn1 ZINC000036961219 296604666 /nfs/dbraw/zinc/60/46/66/296604666.db2.gz AUMGNJJTVLMZEZ-UHFFFAOYSA-N 1 3 273.424 3.363 20 0 CGADHO Clc1cccc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000678581112 543537370 /nfs/dbraw/zinc/53/73/70/543537370.db2.gz RWHMBTWVIYASFK-DLBZAZTESA-N 1 3 292.854 3.489 20 0 CGADHO Clc1cccc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000678581112 543537373 /nfs/dbraw/zinc/53/73/73/543537373.db2.gz RWHMBTWVIYASFK-DLBZAZTESA-N 1 3 292.854 3.489 20 0 CGADHO Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)C1CC[NH+](C)CC1 ZINC000678582470 543538146 /nfs/dbraw/zinc/53/81/46/543538146.db2.gz LSCNQGPHQYTMEU-WMLDXEAASA-N 1 3 288.435 3.057 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765846 543553838 /nfs/dbraw/zinc/55/38/38/543553838.db2.gz HEHKFFOFUZYPEE-HDMKZQKVSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765846 543553841 /nfs/dbraw/zinc/55/38/41/543553841.db2.gz HEHKFFOFUZYPEE-HDMKZQKVSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765846 543553844 /nfs/dbraw/zinc/55/38/44/543553844.db2.gz HEHKFFOFUZYPEE-HDMKZQKVSA-N 1 3 272.436 3.241 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422812557 292261051 /nfs/dbraw/zinc/26/10/51/292261051.db2.gz QRMVRADKQFSRSX-IRXDYDNUSA-N 1 3 258.409 3.178 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1(c2ccccc2)CCCC1 ZINC000423204786 287033326 /nfs/dbraw/zinc/03/33/26/287033326.db2.gz DVOVRUBUCACCKW-IAGOWNOFSA-N 1 3 286.463 3.476 20 0 CGADHO CCCCOc1ccccc1CN1CCC(C[NH3+])CC1 ZINC000066152251 165035646 /nfs/dbraw/zinc/03/56/46/165035646.db2.gz AUSRNDNCGMFKBO-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1nccs1 ZINC000086507841 165184027 /nfs/dbraw/zinc/18/40/27/165184027.db2.gz CXDAGLFDTUUQOD-QWHCGFSZSA-N 1 3 269.458 3.304 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089140304 165200650 /nfs/dbraw/zinc/20/06/50/165200650.db2.gz LKFNZKMDZUZWSE-DJIMGWMZSA-N 1 3 260.425 3.115 20 0 CGADHO CCCC[C@H](COC)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090586003 287102894 /nfs/dbraw/zinc/10/28/94/287102894.db2.gz LMAXYEKGPNCFIN-IAGOWNOFSA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@H](COC)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586003 287102896 /nfs/dbraw/zinc/10/28/96/287102896.db2.gz LMAXYEKGPNCFIN-IAGOWNOFSA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@H](COC)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000090586003 287102898 /nfs/dbraw/zinc/10/28/98/287102898.db2.gz LMAXYEKGPNCFIN-IAGOWNOFSA-N 1 3 284.488 3.149 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092195058 165286229 /nfs/dbraw/zinc/28/62/29/165286229.db2.gz RFYOYYQKMZCSTL-KBPBESRZSA-N 1 3 281.419 3.382 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423348947 287108176 /nfs/dbraw/zinc/10/81/76/287108176.db2.gz UYASIIZYNQFYRQ-ZJIFWQFVSA-N 1 3 252.446 3.181 20 0 CGADHO COc1ccc2cc(CN(C)CC(C)(C)C[NH3+])ccc2c1 ZINC000093873059 165339815 /nfs/dbraw/zinc/33/98/15/165339815.db2.gz ITVAWYVDXRERPY-UHFFFAOYSA-N 1 3 286.419 3.265 20 0 CGADHO COc1ccc2cc(C[N@H+](C)CC(C)(C)CN)ccc2c1 ZINC000093873059 165339817 /nfs/dbraw/zinc/33/98/17/165339817.db2.gz ITVAWYVDXRERPY-UHFFFAOYSA-N 1 3 286.419 3.265 20 0 CGADHO COc1ccc2cc(C[N@@H+](C)CC(C)(C)CN)ccc2c1 ZINC000093873059 165339822 /nfs/dbraw/zinc/33/98/22/165339822.db2.gz ITVAWYVDXRERPY-UHFFFAOYSA-N 1 3 286.419 3.265 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(OCCC[NH3+])CC1 ZINC000094070418 165346701 /nfs/dbraw/zinc/34/67/01/165346701.db2.gz RGYQEGAIZWYWAA-ZDUSSCGKSA-N 1 3 296.842 3.231 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094423970 165350547 /nfs/dbraw/zinc/35/05/47/165350547.db2.gz XXDRVYWSTGSYIK-CQSZACIVSA-N 1 3 282.472 3.185 20 0 CGADHO c1cc(C2CC2)ccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000094519073 165352012 /nfs/dbraw/zinc/35/20/12/165352012.db2.gz UIHGNDSTMUXBET-OAHLLOKOSA-N 1 3 270.420 3.138 20 0 CGADHO c1cc(C2CC2)ccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000094519073 165352014 /nfs/dbraw/zinc/35/20/14/165352014.db2.gz UIHGNDSTMUXBET-OAHLLOKOSA-N 1 3 270.420 3.138 20 0 CGADHO c1cc(C2CC2)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000094519073 165352018 /nfs/dbraw/zinc/35/20/18/165352018.db2.gz UIHGNDSTMUXBET-OAHLLOKOSA-N 1 3 270.420 3.138 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000094522166 165353443 /nfs/dbraw/zinc/35/34/43/165353443.db2.gz MWPVAGNCZMTLJW-CXAGYDPISA-N 1 3 258.409 3.123 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc(F)cc(F)c1 ZINC000094825952 165354603 /nfs/dbraw/zinc/35/46/03/165354603.db2.gz RFWHCPPACWKBQE-LLVKDONJSA-N 1 3 270.367 3.203 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000159973840 165472611 /nfs/dbraw/zinc/47/26/11/165472611.db2.gz MDNCYCABCKXXLX-GDLCADMTSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000261719466 165828121 /nfs/dbraw/zinc/82/81/21/165828121.db2.gz KDPKTLGATVXFMB-AGERRDQYSA-N 1 3 272.436 3.300 20 0 CGADHO CO[C@H]1CCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000123063637 287215721 /nfs/dbraw/zinc/21/57/21/287215721.db2.gz CPOBAPDGKJRDQM-MSOLQXFVSA-N 1 3 294.483 3.331 20 0 CGADHO CO[C@H]1CCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000123063637 287215722 /nfs/dbraw/zinc/21/57/22/287215722.db2.gz CPOBAPDGKJRDQM-MSOLQXFVSA-N 1 3 294.483 3.331 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000020121878 171001188 /nfs/dbraw/zinc/00/11/88/171001188.db2.gz POKAESZVAVORQA-GFCCVEGCSA-N 1 3 266.816 3.475 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OC)cc1 ZINC000020129087 171015997 /nfs/dbraw/zinc/01/59/97/171015997.db2.gz GGJPXFKEYPYWSI-QGZVFWFLSA-N 1 3 276.424 3.222 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000020129190 171017071 /nfs/dbraw/zinc/01/70/71/171017071.db2.gz YZNPNIKSXDXQAU-CYBMUJFWSA-N 1 3 298.377 3.425 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C/c1ccccc1)C2 ZINC000285562747 196328599 /nfs/dbraw/zinc/32/85/99/196328599.db2.gz RTYJYMPOEBCIQY-WYRUZUNFSA-N 1 3 270.420 3.257 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C/c1ccccc1)C2 ZINC000285562747 196328600 /nfs/dbraw/zinc/32/86/00/196328600.db2.gz RTYJYMPOEBCIQY-WYRUZUNFSA-N 1 3 270.420 3.257 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000038041785 174043515 /nfs/dbraw/zinc/04/35/15/174043515.db2.gz JCJDAMXPLFOORA-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN(CCSc1ccccc1)C1CC[NH2+]CC1 ZINC000038078698 174088658 /nfs/dbraw/zinc/08/86/58/174088658.db2.gz CDDPYTXAXYRZCY-UHFFFAOYSA-N 1 3 278.465 3.243 20 0 CGADHO CCC[N@H+](CCSc1ccccc1)C1CCNCC1 ZINC000038078698 174088660 /nfs/dbraw/zinc/08/86/60/174088660.db2.gz CDDPYTXAXYRZCY-UHFFFAOYSA-N 1 3 278.465 3.243 20 0 CGADHO CCC[N@@H+](CCSc1ccccc1)C1CCNCC1 ZINC000038078698 174088661 /nfs/dbraw/zinc/08/86/61/174088661.db2.gz CDDPYTXAXYRZCY-UHFFFAOYSA-N 1 3 278.465 3.243 20 0 CGADHO CCc1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000052204640 416479583 /nfs/dbraw/zinc/47/95/83/416479583.db2.gz SDJGVTHCICPYLD-MSOLQXFVSA-N 1 3 272.436 3.213 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCO1 ZINC000420901961 416562511 /nfs/dbraw/zinc/56/25/11/416562511.db2.gz LTDSHJZOFZEBOW-FGTMMUONSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H]1CCC[N@H+](CCCc2ccccc2)[C@H]1CCN ZINC000404412394 416554339 /nfs/dbraw/zinc/55/43/39/416554339.db2.gz YQQVUUPGUVIRHF-RDJZCZTQSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCc2ccccc2)[C@H]1CCN ZINC000404412394 416554344 /nfs/dbraw/zinc/55/43/44/416554344.db2.gz YQQVUUPGUVIRHF-RDJZCZTQSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000679092688 543591141 /nfs/dbraw/zinc/59/11/41/543591141.db2.gz QYKQRLATOWLXRN-MAUKXSAKSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000679092688 543591142 /nfs/dbraw/zinc/59/11/42/543591142.db2.gz QYKQRLATOWLXRN-MAUKXSAKSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000680401017 543708513 /nfs/dbraw/zinc/70/85/13/543708513.db2.gz ANUKUVAQHXQANC-JKSUJKDBSA-N 1 3 296.499 3.434 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071778 543820806 /nfs/dbraw/zinc/82/08/06/543820806.db2.gz IZQSCRBYZWVIGI-RDTXWAMCSA-N 1 3 285.435 3.330 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@H](C)C1 ZINC000682071778 543820808 /nfs/dbraw/zinc/82/08/08/543820808.db2.gz IZQSCRBYZWVIGI-RDTXWAMCSA-N 1 3 285.435 3.330 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2C2CC2)CC1 ZINC000683358867 543910653 /nfs/dbraw/zinc/91/06/53/543910653.db2.gz NBWPMVNMPGBVOL-QGZVFWFLSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)CC1 ZINC000683358867 543910656 /nfs/dbraw/zinc/91/06/56/543910656.db2.gz NBWPMVNMPGBVOL-QGZVFWFLSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417968068 227273270 /nfs/dbraw/zinc/27/32/70/227273270.db2.gz WGGOBKOYTXDYEG-MLHJIOFPSA-N 1 3 272.436 3.253 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000659977396 419050314 /nfs/dbraw/zinc/05/03/14/419050314.db2.gz XRJVCFCJWOENSC-KBPBESRZSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000659977396 419050317 /nfs/dbraw/zinc/05/03/17/419050317.db2.gz XRJVCFCJWOENSC-KBPBESRZSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000659977396 419050319 /nfs/dbraw/zinc/05/03/19/419050319.db2.gz XRJVCFCJWOENSC-KBPBESRZSA-N 1 3 276.415 3.332 20 0 CGADHO C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115415 419080766 /nfs/dbraw/zinc/08/07/66/419080766.db2.gz MYFJVBSNORWRHP-DOTOQJQBSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115415 419080770 /nfs/dbraw/zinc/08/07/70/419080770.db2.gz MYFJVBSNORWRHP-DOTOQJQBSA-N 1 3 262.441 3.125 20 0 CGADHO C[C@H]1c2ccccc2C[C@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665244619 419091058 /nfs/dbraw/zinc/09/10/58/419091058.db2.gz RYRSXEPMKGRKND-VEFTVXKRSA-N 1 3 278.399 3.449 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC1CCC1 ZINC000665266542 419096654 /nfs/dbraw/zinc/09/66/54/419096654.db2.gz DTNHBLAAZOZCTO-LBPRGKRZSA-N 1 3 261.413 3.080 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665273661 419097931 /nfs/dbraw/zinc/09/79/31/419097931.db2.gz AXYHSLMLXXLIOY-YYIAUSFCSA-N 1 3 258.409 3.182 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000665279524 419101477 /nfs/dbraw/zinc/10/14/77/419101477.db2.gz FOPPDIVPWSKPJM-BXUZGUMPSA-N 1 3 254.443 3.389 20 0 CGADHO COc1cc([C@H](C)NCC[C@@H]([NH3+])C(C)C)ccc1SC ZINC000665280574 419101564 /nfs/dbraw/zinc/10/15/64/419101564.db2.gz GPIHAGAEQINDAP-GXTWGEPZSA-N 1 3 296.480 3.441 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000665283181 419102604 /nfs/dbraw/zinc/10/26/04/419102604.db2.gz IYKROODOWJDZEF-KNIAUWFNSA-N 1 3 250.430 3.205 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C1CCCCC1 ZINC000665283977 419104971 /nfs/dbraw/zinc/10/49/71/419104971.db2.gz YDFONVIRFCPJTB-RCCFBDPRSA-N 1 3 288.435 3.316 20 0 CGADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000665298196 419109978 /nfs/dbraw/zinc/10/99/78/419109978.db2.gz TYKBKWHLLWILSI-BJJXKVORSA-N 1 3 280.843 3.249 20 0 CGADHO C[NH2+]C[C@H](C)N[C@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297635 419110692 /nfs/dbraw/zinc/11/06/92/419110692.db2.gz JBTZWIQHZDSGAF-KGLIPLIRSA-N 1 3 298.858 3.393 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000665299393 419111027 /nfs/dbraw/zinc/11/10/27/419111027.db2.gz MIBNBBTUZIWVAT-NUJGCVRESA-N 1 3 272.436 3.214 20 0 CGADHO CC1(C)C[C@]1(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000665299393 419111028 /nfs/dbraw/zinc/11/10/28/419111028.db2.gz MIBNBBTUZIWVAT-NUJGCVRESA-N 1 3 272.436 3.214 20 0 CGADHO COc1ccc(C(C)C)cc1CN1CCC(CC[NH3+])CC1 ZINC000655941784 419129432 /nfs/dbraw/zinc/12/94/32/419129432.db2.gz BJQPGMKTHIFGAX-UHFFFAOYSA-N 1 3 290.451 3.379 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCCCOC2CCCCC2)C1 ZINC000656196017 419148038 /nfs/dbraw/zinc/14/80/38/419148038.db2.gz SUBTXQLGZDVGRC-JKSUJKDBSA-N 1 3 282.472 3.366 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000656196894 419148826 /nfs/dbraw/zinc/14/88/26/419148826.db2.gz SJIQUJIGFBVOGT-KGLIPLIRSA-N 1 3 291.826 3.223 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H]1CCCCO1 ZINC000656202199 419150039 /nfs/dbraw/zinc/15/00/39/419150039.db2.gz ZYUKYOCOHSZGCE-MWDXBVQZSA-N 1 3 274.408 3.069 20 0 CGADHO Cc1ccccc1C1(N[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000656200225 419150060 /nfs/dbraw/zinc/15/00/60/419150060.db2.gz IIXAFJFSDOXJBD-LSDHHAIUSA-N 1 3 258.409 3.234 20 0 CGADHO CCc1ccc(CCN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660660946 419176103 /nfs/dbraw/zinc/17/61/03/419176103.db2.gz XQRNKGGHWVXFGN-LJQANCHMSA-N 1 3 286.463 3.209 20 0 CGADHO CCc1ccc(CCN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660660946 419176104 /nfs/dbraw/zinc/17/61/04/419176104.db2.gz XQRNKGGHWVXFGN-LJQANCHMSA-N 1 3 286.463 3.209 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656091 419177826 /nfs/dbraw/zinc/17/78/26/419177826.db2.gz PRBUSNYZFPJBAT-WBVHZDCISA-N 1 3 258.409 3.165 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656091 419177829 /nfs/dbraw/zinc/17/78/29/419177829.db2.gz PRBUSNYZFPJBAT-WBVHZDCISA-N 1 3 258.409 3.165 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)CCCc1c(F)cccc1F ZINC000655938628 419128738 /nfs/dbraw/zinc/12/87/38/419128738.db2.gz ZFCVPKLUKRSOHR-MRXNPFEDSA-N 1 3 284.394 3.203 20 0 CGADHO COCc1csc(C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000657303909 419246697 /nfs/dbraw/zinc/24/66/97/419246697.db2.gz IFQUSTYWMYJWSP-UHFFFAOYSA-N 1 3 296.480 3.105 20 0 CGADHO C(=C\C[N@@H+]1C[C@@H]2CCCC[C@@H]21)\CN1C[C@@H]2CCCC[C@@H]21 ZINC000660933327 419216413 /nfs/dbraw/zinc/21/64/13/419216413.db2.gz PBQIWQWFUCKPKV-BJMLIQPHSA-N 1 3 274.452 3.291 20 0 CGADHO C(=C\C[N@H+]1C[C@@H]2CCCC[C@@H]21)\CN1C[C@@H]2CCCC[C@@H]21 ZINC000660933327 419216416 /nfs/dbraw/zinc/21/64/16/419216416.db2.gz PBQIWQWFUCKPKV-BJMLIQPHSA-N 1 3 274.452 3.291 20 0 CGADHO CCN(CC)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657285938 419242277 /nfs/dbraw/zinc/24/22/77/419242277.db2.gz QVMNRXIMNFIKFU-UHFFFAOYSA-N 1 3 277.437 3.118 20 0 CGADHO CC(C)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151763920 287521816 /nfs/dbraw/zinc/52/18/16/287521816.db2.gz YANYUVNNYKPUMD-OAHLLOKOSA-N 1 3 278.440 3.324 20 0 CGADHO C[C@@H]1CCCN(Cc2cccc(F)c2F)[C@@H]1CCC[NH3+] ZINC000662314067 419389295 /nfs/dbraw/zinc/38/92/95/419389295.db2.gz MFRSPTWBNPXWKP-IUODEOHRSA-N 1 3 282.378 3.304 20 0 CGADHO Clc1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000657812591 419363897 /nfs/dbraw/zinc/36/38/97/419363897.db2.gz UFKUGOSXGVUADN-UHFFFAOYSA-N 1 3 282.815 3.145 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)CN1CCCCC1 ZINC000657844695 419386036 /nfs/dbraw/zinc/38/60/36/419386036.db2.gz RKYFJMCHZYBDRV-OLZOCXBDSA-N 1 3 276.415 3.378 20 0 CGADHO C1=CC[C@H](C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663346614 419566679 /nfs/dbraw/zinc/56/66/79/419566679.db2.gz AUNYIEJYGDRDTO-RDJZCZTQSA-N 1 3 262.441 3.054 20 0 CGADHO Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663498623 419637409 /nfs/dbraw/zinc/63/74/09/419637409.db2.gz RHDCZJLZLJSMHJ-KDFVVIITSA-N 1 3 290.838 3.318 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000663503685 419638608 /nfs/dbraw/zinc/63/86/08/419638608.db2.gz SDVWYUKIUYIKPJ-RCCFBDPRSA-N 1 3 274.452 3.460 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000663503685 419638620 /nfs/dbraw/zinc/63/86/20/419638620.db2.gz SDVWYUKIUYIKPJ-RCCFBDPRSA-N 1 3 274.452 3.460 20 0 CGADHO CCC[C@@H](C)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663346246 419569992 /nfs/dbraw/zinc/56/99/92/419569992.db2.gz RPOGIVSTZCDQLO-GDBMZVCRSA-N 1 3 252.446 3.134 20 0 CGADHO C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663466032 419617817 /nfs/dbraw/zinc/61/78/17/419617817.db2.gz NFNQJOKUIWKTCS-CRAIPNDOSA-N 1 3 276.468 3.277 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCCC1 ZINC000663468891 419620462 /nfs/dbraw/zinc/62/04/62/419620462.db2.gz NFANOQCNVXILIB-ZBFHGGJFSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)C ZINC000663468924 419622595 /nfs/dbraw/zinc/62/25/95/419622595.db2.gz NIKTVCPPCOKZNO-JKSUJKDBSA-N 1 3 252.446 3.133 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663471781 419624677 /nfs/dbraw/zinc/62/46/77/419624677.db2.gz YCYRMAGDCQXIPN-HZPDHXFCSA-N 1 3 264.457 3.277 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC(C(C)(C)C)CC1 ZINC000179441573 260049043 /nfs/dbraw/zinc/04/90/43/260049043.db2.gz NDDQQNPBLXVSFE-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC(C(C)(C)C)CC1 ZINC000179441573 260049044 /nfs/dbraw/zinc/04/90/44/260049044.db2.gz NDDQQNPBLXVSFE-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534298 270036493 /nfs/dbraw/zinc/03/64/93/270036493.db2.gz QUHAYZKDGFIYND-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534298 270036494 /nfs/dbraw/zinc/03/64/94/270036494.db2.gz QUHAYZKDGFIYND-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO C1C[C@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CCN2C1 ZINC000106868897 270049326 /nfs/dbraw/zinc/04/93/26/270049326.db2.gz VJOLCHNHPKZXQB-LXWWYSJOSA-N 1 3 274.452 3.028 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CCC([NH+](C)C)CC1 ZINC000185271726 270062384 /nfs/dbraw/zinc/06/23/84/270062384.db2.gz HNBWLSVRCPQANC-UHFFFAOYSA-N 1 3 283.419 3.382 20 0 CGADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000192721479 270077460 /nfs/dbraw/zinc/07/74/60/270077460.db2.gz OAZUSMLNYQQKNO-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CCCCC1 ZINC000192721479 270077461 /nfs/dbraw/zinc/07/74/61/270077461.db2.gz OAZUSMLNYQQKNO-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252103501 270091481 /nfs/dbraw/zinc/09/14/81/270091481.db2.gz GQJVWERTCQMYNO-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CCOc1cccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000521609951 270102705 /nfs/dbraw/zinc/10/27/05/270102705.db2.gz SJQHOMTZJFKRBP-AEGPPILISA-N 1 3 262.397 3.006 20 0 CGADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527805003 270137174 /nfs/dbraw/zinc/13/71/74/270137174.db2.gz TXIUSWZLFGQTET-FSZRXZPDSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000527805003 270137175 /nfs/dbraw/zinc/13/71/75/270137175.db2.gz TXIUSWZLFGQTET-FSZRXZPDSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC12CC2)N1CCCCC1 ZINC000527884536 270141988 /nfs/dbraw/zinc/14/19/88/270141988.db2.gz GJNKSXPLCCBSIB-ILXRZTDVSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000527921239 270144229 /nfs/dbraw/zinc/14/42/29/270144229.db2.gz QNSZCTMHGQXQFW-YJBOKZPZSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527921239 270144230 /nfs/dbraw/zinc/14/42/30/270144230.db2.gz QNSZCTMHGQXQFW-YJBOKZPZSA-N 1 3 274.452 3.457 20 0 CGADHO CC[NH+](CC)CC1CCN(C/C=C(\C)Cl)CC1 ZINC000528357549 270161888 /nfs/dbraw/zinc/16/18/88/270161888.db2.gz UTMOINWXLUDSNF-AWNIVKPZSA-N 1 3 258.837 3.183 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530215481 270195770 /nfs/dbraw/zinc/19/57/70/270195770.db2.gz GPJQELJQTSNZMB-IKGGRYGDSA-N 1 3 299.462 3.290 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217682 270195980 /nfs/dbraw/zinc/19/59/80/270195980.db2.gz VPUOHJVGVIVMAF-CBBWQLFWSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCCC[C@H]1C ZINC000530217682 270195981 /nfs/dbraw/zinc/19/59/81/270195981.db2.gz VPUOHJVGVIVMAF-CBBWQLFWSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000531694022 270208725 /nfs/dbraw/zinc/20/87/25/270208725.db2.gz UARJWLCCZPMXNC-CRAIPNDOSA-N 1 3 290.451 3.041 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000531694022 270208726 /nfs/dbraw/zinc/20/87/26/270208726.db2.gz UARJWLCCZPMXNC-CRAIPNDOSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000531699334 270208900 /nfs/dbraw/zinc/20/89/00/270208900.db2.gz MGDVXZXHPIUPED-AEFFLSMTSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@H]1CCCCN1 ZINC000422827974 274249465 /nfs/dbraw/zinc/24/94/65/274249465.db2.gz AHFYZOZGYMNODQ-XYPHTWIQSA-N 1 3 290.476 3.137 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000358250382 274335521 /nfs/dbraw/zinc/33/55/21/274335521.db2.gz PATYQPRJYZELIN-DQYPLSBCSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000358250382 274335522 /nfs/dbraw/zinc/33/55/22/274335522.db2.gz PATYQPRJYZELIN-DQYPLSBCSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1csc2ccccc12 ZINC000131713671 274385189 /nfs/dbraw/zinc/38/51/89/274385189.db2.gz LROOWQLGUCRAIK-NEPJUHHUSA-N 1 3 260.406 3.070 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000245601298 274394282 /nfs/dbraw/zinc/39/42/82/274394282.db2.gz OZYVKTMQOZFZBM-PVUWLOKVSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000245601298 274394284 /nfs/dbraw/zinc/39/42/84/274394284.db2.gz OZYVKTMQOZFZBM-PVUWLOKVSA-N 1 3 276.399 3.275 20 0 CGADHO C(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC1CCCCC1 ZINC000422846386 275393882 /nfs/dbraw/zinc/39/38/82/275393882.db2.gz PTBRAVFWOVYTQO-KZNAEPCWSA-N 1 3 294.483 3.094 20 0 CGADHO C([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CCCNC1 ZINC000313087306 275395784 /nfs/dbraw/zinc/39/57/84/275395784.db2.gz WICUAUVKOZCXAR-CABCVRRESA-N 1 3 250.430 3.079 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000464882271 276072875 /nfs/dbraw/zinc/07/28/75/276072875.db2.gz GHIAUHSQSXSWOE-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000464882271 276072876 /nfs/dbraw/zinc/07/28/76/276072876.db2.gz GHIAUHSQSXSWOE-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000464882271 276072877 /nfs/dbraw/zinc/07/28/77/276072877.db2.gz GHIAUHSQSXSWOE-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000464882271 276072878 /nfs/dbraw/zinc/07/28/78/276072878.db2.gz GHIAUHSQSXSWOE-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CN[C@H]1CCC12CCCC2 ZINC000423381155 276107294 /nfs/dbraw/zinc/10/72/94/276107294.db2.gz HTJFEMVHCBSERU-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO CC[NH+]1CCC(CCN[C@H]2CCCc3occc32)CC1 ZINC000192904098 276148833 /nfs/dbraw/zinc/14/88/33/276148833.db2.gz SBNBXTUMBYQOGH-INIZCTEOSA-N 1 3 276.424 3.369 20 0 CGADHO CC[NH+]1CCC(NCc2c(C)cc(C)cc2C)CC1 ZINC000037976745 276150985 /nfs/dbraw/zinc/15/09/85/276150985.db2.gz YKRXDXWJANMEAH-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000300415239 276168454 /nfs/dbraw/zinc/16/84/54/276168454.db2.gz UAXCSPUKPMZAEY-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000443647323 276179490 /nfs/dbraw/zinc/17/94/90/276179490.db2.gz XOXNTXSOHLCENW-FUHWJXTLSA-N 1 3 294.483 3.021 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572563 276225495 /nfs/dbraw/zinc/22/54/95/276225495.db2.gz UZWYOUDUBFMRKG-KFWWJZLASA-N 1 3 288.426 3.474 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCCC2(F)F)[C@H](C)C1 ZINC000450572563 276225496 /nfs/dbraw/zinc/22/54/96/276225496.db2.gz UZWYOUDUBFMRKG-KFWWJZLASA-N 1 3 288.426 3.474 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000294889896 276334860 /nfs/dbraw/zinc/33/48/60/276334860.db2.gz YIBRLZJLHQPJCO-RLFYNMQTSA-N 1 3 290.451 3.184 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000423279379 277031248 /nfs/dbraw/zinc/03/12/48/277031248.db2.gz SHIBLCGVYBLDLM-BHYGNILZSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000453428269 277151457 /nfs/dbraw/zinc/15/14/57/277151457.db2.gz PQLCTWCIRMJNTJ-CQSZACIVSA-N 1 3 282.472 3.044 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@@H]2CCC[C@H]21 ZINC000423422875 277172386 /nfs/dbraw/zinc/17/23/86/277172386.db2.gz ZJNBJUWESFBKCU-YTQUADARSA-N 1 3 299.462 3.007 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3c2CCCN3)[C@@H]2CCC[C@H]21 ZINC000423422875 277172387 /nfs/dbraw/zinc/17/23/87/277172387.db2.gz ZJNBJUWESFBKCU-YTQUADARSA-N 1 3 299.462 3.007 20 0 CGADHO CNCCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414861659 277268445 /nfs/dbraw/zinc/26/84/45/277268445.db2.gz SRKSWBMNXWXEAB-IAGOWNOFSA-N 1 3 260.425 3.302 20 0 CGADHO CNC[C@@H](C)C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000414831238 277274616 /nfs/dbraw/zinc/27/46/16/277274616.db2.gz CTLAGTXYMSIBHI-HPUBIQBYSA-N 1 3 290.451 3.167 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423276366 277282710 /nfs/dbraw/zinc/28/27/10/277282710.db2.gz OHDNMPSQCRPJIV-SUMWQHHRSA-N 1 3 285.435 3.299 20 0 CGADHO CN[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384837 277293945 /nfs/dbraw/zinc/29/39/45/277293945.db2.gz IBBICYGMIGECSH-LRDDRELGSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCC(C)(C)C1)N1CCCCC1 ZINC000346884369 277565070 /nfs/dbraw/zinc/56/50/70/277565070.db2.gz ZYCMFWWPYINQLN-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[C@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000414904388 277897448 /nfs/dbraw/zinc/89/74/48/277897448.db2.gz JWLSQQJPIHOSRW-ZWKOTPCHSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@@H](CCN[C@@H]1COC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000396853017 288017196 /nfs/dbraw/zinc/01/71/96/288017196.db2.gz NCZOOKVBLLKSCR-RDJZCZTQSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@@H](CCN[C@@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853017 288017199 /nfs/dbraw/zinc/01/71/99/288017199.db2.gz NCZOOKVBLLKSCR-RDJZCZTQSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@H]([NH2+]CC1(C)CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000432860625 278255674 /nfs/dbraw/zinc/25/56/74/278255674.db2.gz TVBMDBHSLWQIHM-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422853050 278261872 /nfs/dbraw/zinc/26/18/72/278261872.db2.gz RUKMMMUCHQOYCL-RNJOBUHISA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](CN1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653807 278265702 /nfs/dbraw/zinc/26/57/02/278265702.db2.gz IJAVNKCMUFJXPD-RYUDHWBXSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653807 278265704 /nfs/dbraw/zinc/26/57/04/278265704.db2.gz IJAVNKCMUFJXPD-RYUDHWBXSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653807 278265705 /nfs/dbraw/zinc/26/57/05/278265705.db2.gz IJAVNKCMUFJXPD-RYUDHWBXSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Br ZINC000423494915 278276037 /nfs/dbraw/zinc/27/60/37/278276037.db2.gz SSTXITZDALAMMI-QJPTWQEYSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767073 278308683 /nfs/dbraw/zinc/30/86/83/278308683.db2.gz JHIBRCCIWZLGFL-DMDPSCGWSA-N 1 3 284.350 3.018 20 0 CGADHO C[C@@H](NC[C@H]([NH3+])C1CC1)C1(c2ccccc2)CCCC1 ZINC000423321696 278353584 /nfs/dbraw/zinc/35/35/84/278353584.db2.gz NNJLWUWOXBURQC-PBHICJAKSA-N 1 3 272.436 3.214 20 0 CGADHO CC[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422816291 288049034 /nfs/dbraw/zinc/04/90/34/288049034.db2.gz DYLZXVLKTSLGBR-MQYQWHSLSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422816291 288049036 /nfs/dbraw/zinc/04/90/36/288049036.db2.gz DYLZXVLKTSLGBR-MQYQWHSLSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000423276569 288066342 /nfs/dbraw/zinc/06/63/42/288066342.db2.gz OPHKFBRLSZZGHB-CWRNSKLLSA-N 1 3 264.388 3.384 20 0 CGADHO C1=C(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423054048 288062824 /nfs/dbraw/zinc/06/28/24/288062824.db2.gz UCTCSLSBPWRFMZ-FGTMMUONSA-N 1 3 292.467 3.014 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422693556 278845171 /nfs/dbraw/zinc/84/51/71/278845171.db2.gz MGIRRTVKEBOAOZ-CRAIPNDOSA-N 1 3 290.451 3.220 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCc2ccc(F)cc21 ZINC000515164997 279082351 /nfs/dbraw/zinc/08/23/51/279082351.db2.gz HOVZSTQHQBUDHD-KZULUSFZSA-N 1 3 299.393 3.326 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H](C)c2ccccc21)CN(C)C ZINC000336819233 279350424 /nfs/dbraw/zinc/35/04/24/279350424.db2.gz YZLRNNMBVQIJPZ-JKIFEVAISA-N 1 3 260.425 3.412 20 0 CGADHO C[C@H](CN[C@@H]1CC[C@H](C)c2ccccc21)C[NH+](C)C ZINC000336819233 279350426 /nfs/dbraw/zinc/35/04/26/279350426.db2.gz YZLRNNMBVQIJPZ-JKIFEVAISA-N 1 3 260.425 3.412 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442718100 279354728 /nfs/dbraw/zinc/35/47/28/279354728.db2.gz PVXFQAZASPWNDQ-UHFFFAOYSA-N 1 3 262.388 3.130 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2cc(Br)ccc21 ZINC000422932421 279370829 /nfs/dbraw/zinc/37/08/29/279370829.db2.gz FRVCONOUPQZNEX-IMSIIYSGSA-N 1 3 297.240 3.152 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000312011981 279396069 /nfs/dbraw/zinc/39/60/69/279396069.db2.gz WRLJFUCSVXFQQD-HOTGVXAUSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000423214704 279476454 /nfs/dbraw/zinc/47/64/54/279476454.db2.gz PHJNZTFKOJTWQR-QWHCGFSZSA-N 1 3 278.465 3.277 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CCC(F)(F)CC1 ZINC000423215277 279497766 /nfs/dbraw/zinc/49/77/66/279497766.db2.gz MVXHNSQGBOFXGU-OBJOEFQTSA-N 1 3 274.399 3.178 20 0 CGADHO C[C@H](N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423025074 279509721 /nfs/dbraw/zinc/50/97/21/279509721.db2.gz NKHVGPWISDOSEY-DXCKQFNASA-N 1 3 276.399 3.181 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cc2c(s1)CCCC2 ZINC000517553743 279734924 /nfs/dbraw/zinc/73/49/24/279734924.db2.gz QJUISNOIGPSRPJ-SWLSCSKDSA-N 1 3 278.465 3.105 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CC3)CC2)C[C@@H](C)O1 ZINC000362923557 288159652 /nfs/dbraw/zinc/15/96/52/288159652.db2.gz KINKEKQOLLNONW-HZPDHXFCSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC23CCC3)C[C@H](C)O1 ZINC000449103912 288160399 /nfs/dbraw/zinc/16/03/99/288160399.db2.gz SNHSLYNMYGSFTD-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423202330 280020677 /nfs/dbraw/zinc/02/06/77/280020677.db2.gz ARNYOQPJGUJELE-FHLIZLRMSA-N 1 3 272.436 3.460 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000339408203 280239100 /nfs/dbraw/zinc/23/91/00/280239100.db2.gz RJTRQPQCDQGJQY-HYVNUMGLSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000339408203 280239101 /nfs/dbraw/zinc/23/91/01/280239101.db2.gz RJTRQPQCDQGJQY-HYVNUMGLSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000339408203 280239102 /nfs/dbraw/zinc/23/91/02/280239102.db2.gz RJTRQPQCDQGJQY-HYVNUMGLSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)c1ccc([C@H](C)N[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422687613 280623039 /nfs/dbraw/zinc/62/30/39/280623039.db2.gz BOVXPDVZUMHLQC-DFEHZGFQSA-N 1 3 290.451 3.213 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530176866 288294397 /nfs/dbraw/zinc/29/43/97/288294397.db2.gz DSOGJAIMPSVQOU-GVDBMIGSSA-N 1 3 270.420 3.197 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000541559116 288707418 /nfs/dbraw/zinc/70/74/18/288707418.db2.gz SLYMMOKRFKUFEM-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000549226568 289038298 /nfs/dbraw/zinc/03/82/98/289038298.db2.gz JTSBFSFLCHLVKK-MUJYYYPQSA-N 1 3 296.499 3.433 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866500 289057853 /nfs/dbraw/zinc/05/78/53/289057853.db2.gz ZZVCAQCUBGIFEN-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)C2CCCCC2)C1 ZINC000549866500 289057855 /nfs/dbraw/zinc/05/78/55/289057855.db2.gz ZZVCAQCUBGIFEN-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)C1(NCC[C@H](C)[NH2+]C2(C(C)C)CC2)CC1 ZINC000555618324 289352716 /nfs/dbraw/zinc/35/27/16/289352716.db2.gz CKVPIYRDGQDQKO-AWEZNQCLSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)C1(N[C@@H](C)CC[NH2+]C2(C(C)C)CC2)CC1 ZINC000555618324 289352718 /nfs/dbraw/zinc/35/27/18/289352718.db2.gz CKVPIYRDGQDQKO-AWEZNQCLSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCNC1 ZINC000414822961 290011337 /nfs/dbraw/zinc/01/13/37/290011337.db2.gz NPPWKAKNABPNAZ-QNWHQSFQSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]1CC([NH2+]C2CCN(c3ccncc3)CC2)C[C@H](C)C1 ZINC000084974190 290353684 /nfs/dbraw/zinc/35/36/84/290353684.db2.gz XVBPZJKQLFITQS-HUUCEWRRSA-N 1 3 287.451 3.465 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422847301 295255785 /nfs/dbraw/zinc/25/57/85/295255785.db2.gz IASZVNQHKROYCF-CYDGBPFRSA-N 1 3 278.362 3.072 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423064256 295315810 /nfs/dbraw/zinc/31/58/10/295315810.db2.gz YPSVFYXBFOVYHD-ZIAGYGMSSA-N 1 3 298.352 3.206 20 0 CGADHO CSC(C)(C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000134039395 295564722 /nfs/dbraw/zinc/56/47/22/295564722.db2.gz USSNZOXKOSSWBX-STQMWFEESA-N 1 3 258.475 3.028 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000423462680 297442265 /nfs/dbraw/zinc/44/22/65/297442265.db2.gz DSYYTCIUJZLOOD-OGSMBTDCSA-N 1 3 290.426 3.153 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]CC2CNC2)c1 ZINC000423328922 303118640 /nfs/dbraw/zinc/11/86/40/303118640.db2.gz SSAUJTDPRMBKCI-GJZGRUSLSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2NCC2C[NH2+]C2)c1 ZINC000423328922 303118645 /nfs/dbraw/zinc/11/86/45/303118645.db2.gz SSAUJTDPRMBKCI-GJZGRUSLSA-N 1 3 298.352 3.151 20 0 CGADHO Fc1cccc([C@@H]([NH2+]C2CCNCC2)C2CCCC2)c1 ZINC000422881830 303134942 /nfs/dbraw/zinc/13/49/42/303134942.db2.gz ZFPGNDXKULACPM-KRWDZBQOSA-N 1 3 276.399 3.399 20 0 CGADHO NC1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423521217 303359700 /nfs/dbraw/zinc/35/97/00/303359700.db2.gz GDESUDDDXJVZIE-ODXQQMLLSA-N 1 3 288.479 3.308 20 0 CGADHO NC1(C[NH2+][C@H]2CCC[C@@H]2CCF)C2CC3CC(C2)CC1C3 ZINC000423517288 303359734 /nfs/dbraw/zinc/35/97/34/303359734.db2.gz BMGLWWCIZBMUIB-OUGKCBKLSA-N 1 3 294.458 3.258 20 0 CGADHO CC(C)CCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000582965838 329294828 /nfs/dbraw/zinc/29/48/28/329294828.db2.gz XYKFCGWJUBXLAY-GJZGRUSLSA-N 1 3 278.440 3.327 20 0 CGADHO CCCCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000152209625 321695267 /nfs/dbraw/zinc/69/52/67/321695267.db2.gz QDGSUXIVNRDRON-OAHLLOKOSA-N 1 3 278.440 3.468 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000162536814 321884790 /nfs/dbraw/zinc/88/47/90/321884790.db2.gz AKIBAIPGBSTWBR-LSDHHAIUSA-N 1 3 278.440 3.151 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3cccc(F)c3[C@@H]2C)CC[NH2+]1 ZINC000563796192 322010402 /nfs/dbraw/zinc/01/04/02/322010402.db2.gz UQFKTKWZUBQLFI-HZSPNIEDSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000565508441 322080220 /nfs/dbraw/zinc/08/02/20/322080220.db2.gz SZTQYYFPOQMULT-NXHRZFHOSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000565508441 322080222 /nfs/dbraw/zinc/08/02/22/322080222.db2.gz SZTQYYFPOQMULT-NXHRZFHOSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000565508440 322080453 /nfs/dbraw/zinc/08/04/53/322080453.db2.gz SZTQYYFPOQMULT-NJAFHUGGSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000565508440 322080455 /nfs/dbraw/zinc/08/04/55/322080455.db2.gz SZTQYYFPOQMULT-NJAFHUGGSA-N 1 3 278.484 3.476 20 0 CGADHO C(OC1CCN(C[C@@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000566068515 322102536 /nfs/dbraw/zinc/10/25/36/322102536.db2.gz NJUUHRLFWGILLY-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO C(OC1CC[NH+](C[C@@H]2CCCNC2)CC1)C1CCCCC1 ZINC000566068515 322102538 /nfs/dbraw/zinc/10/25/38/322102538.db2.gz NJUUHRLFWGILLY-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000566331531 322116451 /nfs/dbraw/zinc/11/64/51/322116451.db2.gz UWXHHIHWECVUMS-SPUZQDLCSA-N 1 3 290.426 3.377 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2F)c2ccccc21 ZINC000567642443 322171493 /nfs/dbraw/zinc/17/14/93/322171493.db2.gz BHHWGKDRAABRLK-DLBZAZTESA-N 1 3 288.341 3.242 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(-c3ccncc3)cc2)C1 ZINC000568248473 322200754 /nfs/dbraw/zinc/20/07/54/322200754.db2.gz SDKAARSZPUGUNU-QZTJIDSGSA-N 1 3 281.403 3.108 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000569447644 322247495 /nfs/dbraw/zinc/24/74/95/322247495.db2.gz JXNKLVNQPGXQIW-MAUKXSAKSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570192829 322267216 /nfs/dbraw/zinc/26/72/16/322267216.db2.gz NEWCEBVYXJTDNA-KFWWJZLASA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570192829 322267218 /nfs/dbraw/zinc/26/72/18/322267218.db2.gz NEWCEBVYXJTDNA-KFWWJZLASA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570192829 322267219 /nfs/dbraw/zinc/26/72/19/322267219.db2.gz NEWCEBVYXJTDNA-KFWWJZLASA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)C(C)(C)c1ccccc1 ZINC000571073350 322289074 /nfs/dbraw/zinc/28/90/74/322289074.db2.gz WEMGYQIBJOVEOO-OAHLLOKOSA-N 1 3 262.441 3.330 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC(CC[NH3+])CC1 ZINC000573257677 322378736 /nfs/dbraw/zinc/37/87/36/322378736.db2.gz JTQGMCNDSRJNMW-MRXNPFEDSA-N 1 3 282.378 3.477 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CCCC1 ZINC000395688353 329294482 /nfs/dbraw/zinc/29/44/82/329294482.db2.gz YQEGTUCXWOUDJZ-GOEBONIOSA-N 1 3 252.446 3.275 20 0 CGADHO C/C(=C/c1ccccc1)CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000580483875 330256931 /nfs/dbraw/zinc/25/69/31/330256931.db2.gz VCFVYBUMCRMHMN-JQUKHEMZSA-N 1 3 272.436 3.362 20 0 CGADHO C/C(=C/c1ccccc1)CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000580483875 330256932 /nfs/dbraw/zinc/25/69/32/330256932.db2.gz VCFVYBUMCRMHMN-JQUKHEMZSA-N 1 3 272.436 3.362 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000577600774 335376322 /nfs/dbraw/zinc/37/63/22/335376322.db2.gz GTZAXEHXFDYOHW-OIISXLGYSA-N 1 3 294.389 3.018 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000578738384 335668071 /nfs/dbraw/zinc/66/80/71/335668071.db2.gz PHAWIEJPRIXNBZ-HYVNUMGLSA-N 1 3 260.425 3.156 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000579973003 335941333 /nfs/dbraw/zinc/94/13/33/335941333.db2.gz RWTOXTYSQPOIEX-PVAVHDDUSA-N 1 3 290.451 3.437 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000380686553 336016709 /nfs/dbraw/zinc/01/67/09/336016709.db2.gz DLJXTAAUZBUAOH-GJZGRUSLSA-N 1 3 278.440 3.324 20 0 CGADHO C=Cc1ccc(CCNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000581344030 336053502 /nfs/dbraw/zinc/05/35/02/336053502.db2.gz CLTJEXZWVMOCCV-UHFFFAOYSA-N 1 3 284.447 3.336 20 0 CGADHO C[C@H](NCC[NH2+]C(C)(C)C)[C@@H]1CC2CCC1CC2 ZINC000382215570 336084738 /nfs/dbraw/zinc/08/47/38/336084738.db2.gz TVZHHPCBRMZFKU-PPWQZUPISA-N 1 3 252.446 3.179 20 0 CGADHO CS[C@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000425359750 534110166 /nfs/dbraw/zinc/11/01/66/534110166.db2.gz SGDAQDXKRWVLAN-HOTGVXAUSA-N 1 3 282.497 3.125 20 0 CGADHO CS[C@H]1CC[C@@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000425359750 534110172 /nfs/dbraw/zinc/11/01/72/534110172.db2.gz SGDAQDXKRWVLAN-HOTGVXAUSA-N 1 3 282.497 3.125 20 0 CGADHO FCCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000367451275 534428575 /nfs/dbraw/zinc/42/85/75/534428575.db2.gz QJDAGPQZKKIIIF-HNNXBMFYSA-N 1 3 256.409 3.077 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000157593198 519760693 /nfs/dbraw/zinc/76/06/93/519760693.db2.gz WUOKBHYDZNKHLS-WCXIOVBPSA-N 1 3 294.483 3.043 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000157593198 519760695 /nfs/dbraw/zinc/76/06/95/519760695.db2.gz WUOKBHYDZNKHLS-WCXIOVBPSA-N 1 3 294.483 3.043 20 0 CGADHO c1ccc(CCCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173872109 534485345 /nfs/dbraw/zinc/48/53/45/534485345.db2.gz IMRNQLSCFNFXKP-IBGZPJMESA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000173872109 534485349 /nfs/dbraw/zinc/48/53/49/534485349.db2.gz IMRNQLSCFNFXKP-IBGZPJMESA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCC[N@H+]2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000173872109 534485353 /nfs/dbraw/zinc/48/53/53/534485353.db2.gz IMRNQLSCFNFXKP-IBGZPJMESA-N 1 3 286.463 3.427 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1cc(Cl)cs1 ZINC000086332034 524046567 /nfs/dbraw/zinc/04/65/67/524046567.db2.gz DGBXYWDCJZOFOQ-UHFFFAOYSA-N 1 3 260.834 3.079 20 0 CGADHO Cc1cccc(OCC[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000157427086 524750548 /nfs/dbraw/zinc/75/05/48/524750548.db2.gz RPHZRCGWZVPREX-ROUUACIJSA-N 1 3 282.387 3.108 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423348245 534879408 /nfs/dbraw/zinc/87/94/08/534879408.db2.gz SLHZMPBGEJSQOM-NSHDSACASA-N 1 3 279.453 3.145 20 0 CGADHO Fc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157563516 526409342 /nfs/dbraw/zinc/40/93/42/526409342.db2.gz KADSILHLKRHGRK-GYTBAZASSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157563516 526409346 /nfs/dbraw/zinc/40/93/46/526409346.db2.gz KADSILHLKRHGRK-GYTBAZASSA-N 1 3 288.410 3.288 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2cccc(C(F)F)c2)C1 ZINC000156091494 527192418 /nfs/dbraw/zinc/19/24/18/527192418.db2.gz JVNHJORMHGZQGH-LBPRGKRZSA-N 1 3 268.351 3.185 20 0 CGADHO CCC1CCC([NH2+]Cc2ccc3c(c2)CNC3)CC1 ZINC000423367822 527857590 /nfs/dbraw/zinc/85/75/90/527857590.db2.gz YXCKGNZGXNTBBI-UHFFFAOYSA-N 1 3 258.409 3.348 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424375188 528208886 /nfs/dbraw/zinc/20/88/86/528208886.db2.gz MORNYFMHRCFDHX-IAOVAPTHSA-N 1 3 276.424 3.394 20 0 CGADHO CC(C)c1nc([C@H](C)NC[C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423482511 528313582 /nfs/dbraw/zinc/31/35/82/528313582.db2.gz XXCCRDDGAHZEQW-RWMBFGLXSA-N 1 3 281.469 3.435 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423326114 528588799 /nfs/dbraw/zinc/58/87/99/528588799.db2.gz QMYKFZADVUSUJH-HUUCEWRRSA-N 1 3 266.816 3.364 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423287517 528952791 /nfs/dbraw/zinc/95/27/91/528952791.db2.gz MTBACHNCBNGQAW-CQSZACIVSA-N 1 3 286.423 3.040 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423283887 528954569 /nfs/dbraw/zinc/95/45/69/528954569.db2.gz FTTYKZGICMOLFX-INIZCTEOSA-N 1 3 276.424 3.180 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000414234868 529001330 /nfs/dbraw/zinc/00/13/30/529001330.db2.gz STVBEPPAZWWUOU-UHFFFAOYSA-N 1 3 289.467 3.342 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(OC)cc1 ZINC000423270624 529009609 /nfs/dbraw/zinc/00/96/09/529009609.db2.gz IEXDLFLKKOEYDR-HZPDHXFCSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275398 529069179 /nfs/dbraw/zinc/06/91/79/529069179.db2.gz NDDDEUPJLAQVDB-GXFFZTMASA-N 1 3 290.329 3.219 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423432192 529204417 /nfs/dbraw/zinc/20/44/17/529204417.db2.gz JDAKXOPKKXBRRR-USXIJHARSA-N 1 3 294.389 3.394 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459598857 535892536 /nfs/dbraw/zinc/89/25/36/535892536.db2.gz QPPLXYRYHCJOCC-ZWKOTPCHSA-N 1 3 287.451 3.465 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccsc2Cl)C1 ZINC000459726887 536384217 /nfs/dbraw/zinc/38/42/17/536384217.db2.gz CASVVMMFDRIJDO-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccsc2Cl)C1 ZINC000459726887 536384221 /nfs/dbraw/zinc/38/42/21/536384221.db2.gz CASVVMMFDRIJDO-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO COc1ccc(C[N@H+](CC[C@H]2CCCN2C)C2CC2)cc1 ZINC000124737254 536857862 /nfs/dbraw/zinc/85/78/62/536857862.db2.gz PAPRQOQLLSWKCX-MRXNPFEDSA-N 1 3 288.435 3.144 20 0 CGADHO COc1ccc(C[N@@H+](CC[C@H]2CCCN2C)C2CC2)cc1 ZINC000124737254 536857863 /nfs/dbraw/zinc/85/78/63/536857863.db2.gz PAPRQOQLLSWKCX-MRXNPFEDSA-N 1 3 288.435 3.144 20 0 CGADHO c1cc(CNCCCCC[NH+]2CCCCC2)co1 ZINC000733326751 572556593 /nfs/dbraw/zinc/55/65/93/572556593.db2.gz XSGMSTDWQJEMRX-UHFFFAOYSA-N 1 3 250.386 3.025 20 0 CGADHO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000749922602 573058657 /nfs/dbraw/zinc/05/86/57/573058657.db2.gz BXCHDFSSFGBKRM-GJZGRUSLSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000161071515 618258107 /nfs/dbraw/zinc/25/81/07/618258107.db2.gz BFGJYGUOGTUVLG-MCIONIFRSA-N 1 3 272.502 3.369 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CC2(CCCOC)CCC2)C1 ZINC000892132970 618551514 /nfs/dbraw/zinc/55/15/14/618551514.db2.gz DOKONORKLBYQKN-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2(CCCOC)CCC2)C1 ZINC000892132970 618551516 /nfs/dbraw/zinc/55/15/16/618551516.db2.gz DOKONORKLBYQKN-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC000892132970 618551518 /nfs/dbraw/zinc/55/15/18/618551518.db2.gz DOKONORKLBYQKN-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2(CCCOC)CCC2)C1 ZINC000892132970 618551521 /nfs/dbraw/zinc/55/15/21/618551521.db2.gz DOKONORKLBYQKN-KRWDZBQOSA-N 1 3 296.499 3.247 20 0 CGADHO Cc1ccc(CNCCCC[NH+]2CCC(C)CC2)o1 ZINC000236698687 618818545 /nfs/dbraw/zinc/81/85/45/618818545.db2.gz YSEMYZWRQJFYEH-UHFFFAOYSA-N 1 3 264.413 3.190 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925522764 619016755 /nfs/dbraw/zinc/01/67/55/619016755.db2.gz UFJKOLHKHXAZHQ-CFVMTHIKSA-N 1 3 276.424 3.252 20 0 CGADHO CCSc1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925647074 619105867 /nfs/dbraw/zinc/10/58/67/619105867.db2.gz XMMFSUVYNWQCOY-UONOGXRCSA-N 1 3 293.480 3.189 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C12CCC2 ZINC000925658763 619114130 /nfs/dbraw/zinc/11/41/30/619114130.db2.gz ZYHLGYDHCVPUMM-MIGQKNRLSA-N 1 3 290.838 3.446 20 0 CGADHO CSCC1(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925707072 619155778 /nfs/dbraw/zinc/15/57/78/619155778.db2.gz OLVRAJGMLLAHJB-CVEARBPZSA-N 1 3 296.524 3.278 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCc1c[nH]c2c1cccc2Cl ZINC000925724910 619181658 /nfs/dbraw/zinc/18/16/58/619181658.db2.gz NXCAYIJPAXFDKJ-NHYWBVRUSA-N 1 3 291.826 3.094 20 0 CGADHO C[C@H]1CCN(Cc2csc3ccccc23)C[C@H]1C[NH3+] ZINC000253194599 619192335 /nfs/dbraw/zinc/19/23/35/619192335.db2.gz QJCOAPUXAGGHGR-QWHCGFSZSA-N 1 3 274.433 3.318 20 0 CGADHO CC[C@H](C)N(Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767648 619403880 /nfs/dbraw/zinc/40/38/80/619403880.db2.gz MBNSNYLIXQZOSE-RDJZCZTQSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000924958701 619461558 /nfs/dbraw/zinc/46/15/58/619461558.db2.gz GIVHWVLKVAJIBC-ZACQAIPSSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC[C@H](C)N(C)C ZINC000895290279 619796886 /nfs/dbraw/zinc/79/68/86/619796886.db2.gz FXRFYNGSPYEBJL-GJZGRUSLSA-N 1 3 287.451 3.419 20 0 CGADHO C[C@H](CC[NH2+]Cc1cc2nc(Cl)ccc2s1)N(C)C ZINC000895293247 619798434 /nfs/dbraw/zinc/79/84/34/619798434.db2.gz WQGWAJWUBTUBCO-SNVBAGLBSA-N 1 3 297.855 3.380 20 0 CGADHO C[C@@H](N[C@@H](CO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925274148 620340395 /nfs/dbraw/zinc/34/03/95/620340395.db2.gz JTSZEVLQJPGOQU-BEFAXECRSA-N 1 3 298.430 3.132 20 0 CGADHO CC1(C)C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CCS1 ZINC000902451078 621330284 /nfs/dbraw/zinc/33/02/84/621330284.db2.gz FJVMQDFENYJAIN-UGFHNGPFSA-N 1 3 276.449 3.395 20 0 CGADHO C1CC12CCC[C@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C2 ZINC000902455271 621333115 /nfs/dbraw/zinc/33/31/15/621333115.db2.gz XTDNWTDBNSVPFU-ULQDDVLXSA-N 1 3 276.468 3.467 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000902793597 621450216 /nfs/dbraw/zinc/45/02/16/621450216.db2.gz LCOUAQFJPRZEEL-IXDOHACOSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000902872006 621475084 /nfs/dbraw/zinc/47/50/84/621475084.db2.gz WAXQRDIFIFVOSZ-YVSFHVDLSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)O[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903196406 621622371 /nfs/dbraw/zinc/62/23/71/621622371.db2.gz NRPNVONZNOIVTP-SBLRLLDBSA-N 1 3 292.467 3.080 20 0 CGADHO CC(C)(C)O[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903196406 621622372 /nfs/dbraw/zinc/62/23/72/621622372.db2.gz NRPNVONZNOIVTP-SBLRLLDBSA-N 1 3 292.467 3.080 20 0 CGADHO C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CCCC1 ZINC000903383551 621724975 /nfs/dbraw/zinc/72/49/75/621724975.db2.gz NLASTNOFNZJNAB-WMLDXEAASA-N 1 3 275.440 3.243 20 0 CGADHO COc1ccc([C@H]2CCCN2C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903718588 621796245 /nfs/dbraw/zinc/79/62/45/621796245.db2.gz PFTJHPKMNLWVAF-MAUKXSAKSA-N 1 3 288.435 3.222 20 0 CGADHO CC[N@H+](C[C@@H](N)CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884902 621826647 /nfs/dbraw/zinc/82/66/47/621826647.db2.gz HVGVXMYUDMQQRW-YPMHNXCESA-N 1 3 286.366 3.061 20 0 CGADHO CC[N@@H+](C[C@@H](N)CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000903884902 621826649 /nfs/dbraw/zinc/82/66/49/621826649.db2.gz HVGVXMYUDMQQRW-YPMHNXCESA-N 1 3 286.366 3.061 20 0 CGADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904322050 621905785 /nfs/dbraw/zinc/90/57/85/621905785.db2.gz NINDYLDMWGDDGB-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@]1(C)CCCNC1 ZINC000904322050 621905788 /nfs/dbraw/zinc/90/57/88/621905788.db2.gz NINDYLDMWGDDGB-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCNC1)c1csc2ccccc12 ZINC000904484915 621926639 /nfs/dbraw/zinc/92/66/39/621926639.db2.gz QKAGSRKOXTYTCD-VXGBXAGGSA-N 1 3 260.406 3.304 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000165301216 622858637 /nfs/dbraw/zinc/85/86/37/622858637.db2.gz KZSXQEWSFPFLJN-UONOGXRCSA-N 1 3 272.502 3.228 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCSc2ccccc21 ZINC000227125191 623009110 /nfs/dbraw/zinc/00/91/10/623009110.db2.gz GLSYEOAXPLLOHU-NWANDNLSSA-N 1 3 276.449 3.331 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000070074224 624947321 /nfs/dbraw/zinc/94/73/21/624947321.db2.gz YLARAFHCNUKWMW-LBPRGKRZSA-N 1 3 286.341 3.266 20 0 CGADHO CC[N@@H+]1C[C@H](C)N(c2ccnc3cc(OC)ccc32)C[C@@H]1C ZINC000765640853 627264883 /nfs/dbraw/zinc/26/48/83/627264883.db2.gz HPERGHUKTSLCKA-KBPBESRZSA-N 1 3 299.418 3.162 20 0 CGADHO CC[N@H+]1C[C@H](C)N(c2ccnc3cc(OC)ccc32)C[C@@H]1C ZINC000765640853 627264886 /nfs/dbraw/zinc/26/48/86/627264886.db2.gz HPERGHUKTSLCKA-KBPBESRZSA-N 1 3 299.418 3.162 20 0 CGADHO COc1ccc2c(c1)[C@H](NCC[N@@H+]1CCC[C@H]1C)CCC2 ZINC000766267715 627307731 /nfs/dbraw/zinc/30/77/31/627307731.db2.gz ILFBTQZKSCJIAP-RDTXWAMCSA-N 1 3 288.435 3.147 20 0 CGADHO COc1ccc2c(c1)[C@H](NCC[N@H+]1CCC[C@H]1C)CCC2 ZINC000766267715 627307737 /nfs/dbraw/zinc/30/77/37/627307737.db2.gz ILFBTQZKSCJIAP-RDTXWAMCSA-N 1 3 288.435 3.147 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)Cc2ccccc21 ZINC000767355790 627401195 /nfs/dbraw/zinc/40/11/95/627401195.db2.gz VHJKHYVMSWJLIJ-ZBFHGGJFSA-N 1 3 258.409 3.090 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)Cc2ccccc21 ZINC000767355790 627401197 /nfs/dbraw/zinc/40/11/97/627401197.db2.gz VHJKHYVMSWJLIJ-ZBFHGGJFSA-N 1 3 258.409 3.090 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299378 628480570 /nfs/dbraw/zinc/48/05/70/628480570.db2.gz RVWVTTWEZHDNMA-ZHALLVOQSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000780299378 628480572 /nfs/dbraw/zinc/48/05/72/628480572.db2.gz RVWVTTWEZHDNMA-ZHALLVOQSA-N 1 3 284.447 3.133 20 0 CGADHO C[C@H](Cc1cccc(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000793335220 629444725 /nfs/dbraw/zinc/44/47/25/629444725.db2.gz DWHQPHZNNOKTEC-RWBZWWBESA-N 1 3 290.426 3.363 20 0 CGADHO CC(C)(C)c1nc(CNCCCCCC[NH3+])cs1 ZINC000843127410 630564596 /nfs/dbraw/zinc/56/45/96/630564596.db2.gz OZKGIBHJZWUMDX-UHFFFAOYSA-N 1 3 269.458 3.049 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000815578750 631798979 /nfs/dbraw/zinc/79/89/79/631798979.db2.gz VMYLHBMIFXIYDM-ZIAGYGMSSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000815578750 631798982 /nfs/dbraw/zinc/79/89/82/631798982.db2.gz VMYLHBMIFXIYDM-ZIAGYGMSSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817908597 632234094 /nfs/dbraw/zinc/23/40/94/632234094.db2.gz SYNIVQZSPJZVJV-BPQIPLTHSA-N 1 3 272.436 3.314 20 0 CGADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000817932357 632236036 /nfs/dbraw/zinc/23/60/36/632236036.db2.gz VWGWCIUMAQTDOF-CEXWTWQISA-N 1 3 296.414 3.071 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817963658 632259078 /nfs/dbraw/zinc/25/90/78/632259078.db2.gz WWNHRSGGBHIRMQ-UWVGGRQHSA-N 1 3 274.380 3.247 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865829601 632903986 /nfs/dbraw/zinc/90/39/86/632903986.db2.gz CWHZHMSTOWYKLX-REWJHTLYSA-N 1 3 288.357 3.100 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865829601 632903992 /nfs/dbraw/zinc/90/39/92/632903992.db2.gz CWHZHMSTOWYKLX-REWJHTLYSA-N 1 3 288.357 3.100 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3c(F)cccc32)C1 ZINC000866262845 633050230 /nfs/dbraw/zinc/05/02/30/633050230.db2.gz HKAJPKLJSQTWPX-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3c(F)cccc32)C1 ZINC000866262845 633050233 /nfs/dbraw/zinc/05/02/33/633050233.db2.gz HKAJPKLJSQTWPX-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCc1cccnc1)N1CCCCC1 ZINC000866338886 633086981 /nfs/dbraw/zinc/08/69/81/633086981.db2.gz ZNAFEQUAFYPDLA-DLBZAZTESA-N 1 3 289.467 3.257 20 0 CGADHO Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000866396642 633122567 /nfs/dbraw/zinc/12/25/67/633122567.db2.gz AUPNJYJGOBGWQG-SJLPKXTDSA-N 1 3 274.452 3.248 20 0 CGADHO Fc1cnccc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000823966578 633176650 /nfs/dbraw/zinc/17/66/50/633176650.db2.gz VBTGECZCLFIMSO-UHFFFAOYSA-N 1 3 291.414 3.107 20 0 CGADHO COCc1cccc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708970 633235578 /nfs/dbraw/zinc/23/55/78/633235578.db2.gz UCVSHQHKHSECSO-SFHVURJKSA-N 1 3 290.451 3.030 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872019563 633939374 /nfs/dbraw/zinc/93/93/74/633939374.db2.gz WSFGTRDPOJJBTF-SJORKVTESA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc([O-])c1F ZINC000872090438 634016001 /nfs/dbraw/zinc/01/60/01/634016001.db2.gz BMAOUICSJWEDES-POZPTJLLSA-N 1 3 294.414 3.445 20 0 CGADHO CC(C)N1CCN(CCC[NH+]2CCCCCCCC2)CC1 ZINC000831937780 634017289 /nfs/dbraw/zinc/01/72/89/634017289.db2.gz WOGVYTHILCANHF-UHFFFAOYSA-N 1 3 295.515 3.059 20 0 CGADHO C[C@@H](CCC(F)(F)F)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873238416 634296322 /nfs/dbraw/zinc/29/63/22/634296322.db2.gz ZSQTZIYBKIIZCA-QWRGUYRKSA-N 1 3 266.351 3.085 20 0 CGADHO CC[C@@H](NC[C@@H]1CC=CC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873253665 634302580 /nfs/dbraw/zinc/30/25/80/634302580.db2.gz ZWSSOHXRGAHCAP-DGAVXFQQSA-N 1 3 290.373 3.251 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000876948033 634935297 /nfs/dbraw/zinc/93/52/97/634935297.db2.gz JDQDRIXXAXEXTM-SNVBAGLBSA-N 1 3 279.255 3.033 20 0 CGADHO Cc1cc(C)cc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000877516891 635066845 /nfs/dbraw/zinc/06/68/45/635066845.db2.gz FYZXDLZWAGDVCN-DFNIBXOVSA-N 1 3 286.463 3.403 20 0 CGADHO Cc1cc(C)cc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000877516891 635066848 /nfs/dbraw/zinc/06/68/48/635066848.db2.gz FYZXDLZWAGDVCN-DFNIBXOVSA-N 1 3 286.463 3.403 20 0 CGADHO C[C@@H]1C[C@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795043 635204754 /nfs/dbraw/zinc/20/47/54/635204754.db2.gz WWZMGEFKMMSQIN-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO C(CC1CC1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878120396 635366938 /nfs/dbraw/zinc/36/69/38/635366938.db2.gz HMFYHKSUYBRRSV-MRXNPFEDSA-N 1 3 250.430 3.127 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc2ncccc2c1 ZINC000843054266 635551538 /nfs/dbraw/zinc/55/15/38/635551538.db2.gz TXUYGOXWWILRAP-ALOPSCKCSA-N 1 3 281.403 3.079 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCSC(C)(C)C)C2 ZINC000878661351 635595326 /nfs/dbraw/zinc/59/53/26/635595326.db2.gz BNXWOCYHLLOUDF-MRXNPFEDSA-N 1 3 284.513 3.326 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCSC(C)(C)C)C2 ZINC000878661351 635595331 /nfs/dbraw/zinc/59/53/31/635595331.db2.gz BNXWOCYHLLOUDF-MRXNPFEDSA-N 1 3 284.513 3.326 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)nc1 ZINC000843343675 635651247 /nfs/dbraw/zinc/65/12/47/635651247.db2.gz CLQHGMNVGSFIHI-LLVKDONJSA-N 1 3 275.783 3.045 20 0 CGADHO CN(Cc1csc(-c2ccoc2)n1)C1CCC([NH3+])CC1 ZINC000844221090 635832966 /nfs/dbraw/zinc/83/29/66/635832966.db2.gz UFGNNXVHSHUARE-UHFFFAOYSA-N 1 3 291.420 3.105 20 0 CGADHO CC[C@@H]1COC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000850540593 637114593 /nfs/dbraw/zinc/11/45/93/637114593.db2.gz NQPNPVUPTYAKQC-SJLPKXTDSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1COC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000850540593 637114600 /nfs/dbraw/zinc/11/46/00/637114600.db2.gz NQPNPVUPTYAKQC-SJLPKXTDSA-N 1 3 294.483 3.046 20 0 CGADHO Fc1cccc(/C=C/C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000885924083 637314304 /nfs/dbraw/zinc/31/43/04/637314304.db2.gz GVGNYVFUICBTAC-TZNLOLHFSA-N 1 3 274.383 3.055 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000886089692 637404096 /nfs/dbraw/zinc/40/40/96/637404096.db2.gz HJFDJRJSLPPODI-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO NC[C@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000852744169 637702916 /nfs/dbraw/zinc/70/29/16/637702916.db2.gz UOKDTZUGVGSBCC-JFIYKMOQSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000852744169 637702918 /nfs/dbraw/zinc/70/29/18/637702918.db2.gz UOKDTZUGVGSBCC-JFIYKMOQSA-N 1 3 272.436 3.241 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108769 637905825 /nfs/dbraw/zinc/90/58/25/637905825.db2.gz BVFGGNHATYMYNR-XKQJLSEDSA-N 1 3 288.435 3.145 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000224108769 637905829 /nfs/dbraw/zinc/90/58/29/637905829.db2.gz BVFGGNHATYMYNR-XKQJLSEDSA-N 1 3 288.435 3.145 20 0 CGADHO COc1cc(C)c([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1C ZINC000854230309 638028740 /nfs/dbraw/zinc/02/87/40/638028740.db2.gz MLUGBFWVRFONDU-GOEBONIOSA-N 1 3 278.440 3.336 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924958280 638431164 /nfs/dbraw/zinc/43/11/64/638431164.db2.gz DSRKXWZPVKDMOJ-HJOIGYKYSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000924963515 638432048 /nfs/dbraw/zinc/43/20/48/638432048.db2.gz KCNMPVZJPVSMLQ-CQSZACIVSA-N 1 3 299.418 3.334 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H](c2cccs2)C2CC2)C12CCC2 ZINC000925513470 638515672 /nfs/dbraw/zinc/51/56/72/638515672.db2.gz GSWLDISEFHPOHR-RDBSUJKOSA-N 1 3 262.422 3.059 20 0 CGADHO Fc1cccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925521800 638518126 /nfs/dbraw/zinc/51/81/26/638518126.db2.gz WPXPFIBGYOWEQT-ROUUACIJSA-N 1 3 290.426 3.126 20 0 CGADHO CC1(C)C[C@@H](NCCc2cc(F)ccc2F)C[C@@H]([NH3+])C1 ZINC000925529692 638520427 /nfs/dbraw/zinc/52/04/27/638520427.db2.gz LKPARSJXRYJGMF-KGLIPLIRSA-N 1 3 282.378 3.003 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC(C)(C)[C@H](O)C(C)C)CC1 ZINC000925617293 638546426 /nfs/dbraw/zinc/54/64/26/638546426.db2.gz PIFDDGOTBXUKDR-QGZVFWFLSA-N 1 3 298.515 3.130 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857847819 638576830 /nfs/dbraw/zinc/57/68/30/638576830.db2.gz ZCDJXPBWXQFIMY-HOCLYGCPSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857847819 638576836 /nfs/dbraw/zinc/57/68/36/638576836.db2.gz ZCDJXPBWXQFIMY-HOCLYGCPSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@H]1CCCC12CC2)c1ccccc1 ZINC000925719883 638578718 /nfs/dbraw/zinc/57/87/18/638578718.db2.gz VVBVNCRSJXJEGZ-IMJJTQAJSA-N 1 3 258.409 3.245 20 0 CGADHO CC1(C)C[C@@H](N[C@@H](c2ccccn2)C2CCC2)C[C@@H]([NH3+])C1 ZINC000925724234 638582189 /nfs/dbraw/zinc/58/21/89/638582189.db2.gz XNAAOKDJNYUCLM-HLLBOEOZSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1[C@@H](c3ccccc3)C1(C)C)[NH2+]2 ZINC000925722761 638582573 /nfs/dbraw/zinc/58/25/73/638582573.db2.gz LCDVGJIJCZRQRQ-PCCLBNHKSA-N 1 3 284.447 3.297 20 0 CGADHO CC(C)([NH3+])CCN[C@H]1CCc2ccc(Cl)cc21 ZINC000925740686 638593107 /nfs/dbraw/zinc/59/31/07/638593107.db2.gz KOJUDKOQBAZBJL-ZDUSSCGKSA-N 1 3 252.789 3.044 20 0 CGADHO CCC1(CC)[C@H](OC)[C@@H](C)[C@H]1N1CCC([NH3+])(CC)CC1 ZINC000925755574 638598374 /nfs/dbraw/zinc/59/83/74/638598374.db2.gz GINPBPMAHWPJGL-RRFJBIMHSA-N 1 3 282.472 3.029 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925780063 638611015 /nfs/dbraw/zinc/61/10/15/638611015.db2.gz RKKOYYSWAPFAGP-GXTWGEPZSA-N 1 3 286.341 3.111 20 0 CGADHO CCN(C)c1ccccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000858131527 638638635 /nfs/dbraw/zinc/63/86/35/638638635.db2.gz XXAJYLXKDFSUNR-MRXNPFEDSA-N 1 3 289.467 3.105 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNc1ccnc(CO)c1 ZINC000858327339 638683455 /nfs/dbraw/zinc/68/34/55/638683455.db2.gz OXYPGXVCFRUETA-UHFFFAOYSA-N 1 3 299.418 3.028 20 0 CGADHO C[C@@H](CC[NH2+][C@H](C1CC1)C1CCOCC1)N1CCCCC1 ZINC000926140116 638719834 /nfs/dbraw/zinc/71/98/34/638719834.db2.gz BEFORFXHLNAEIL-MAUKXSAKSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000927099167 638841975 /nfs/dbraw/zinc/84/19/75/638841975.db2.gz AJZCMGSFSMOKNQ-AWEZNQCLSA-N 1 3 296.499 3.433 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780142 638950750 /nfs/dbraw/zinc/95/07/50/638950750.db2.gz LCGXGIKBCCPBTB-WMLDXEAASA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccc(F)c2)C[C@@H]1C ZINC000929780142 638950751 /nfs/dbraw/zinc/95/07/51/638950751.db2.gz LCGXGIKBCCPBTB-WMLDXEAASA-N 1 3 278.415 3.173 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000932563580 639354922 /nfs/dbraw/zinc/35/49/22/639354922.db2.gz IBSLOSUGZRHOQR-DZGCQCFKSA-N 1 3 264.388 3.269 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])c(C)s1 ZINC000251094199 640820824 /nfs/dbraw/zinc/82/08/24/640820824.db2.gz YYYKMVUIORPXKE-VHRBIJSZSA-N 1 3 252.427 3.143 20 0 CGADHO CN1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC001254501814 806423068 /nfs/dbraw/zinc/42/30/68/806423068.db2.gz YLMJXEJXLSFYLZ-GOSISDBHSA-N 1 3 268.404 3.414 20 0 CGADHO C[N@@H+]1CCC[C@@H](NCc2ccc3ccccc3c2)CC1 ZINC001254501814 806423074 /nfs/dbraw/zinc/42/30/74/806423074.db2.gz YLMJXEJXLSFYLZ-GOSISDBHSA-N 1 3 268.404 3.414 20 0 CGADHO C[N@H+]1CCC[C@@H](NCc2ccc3ccccc3c2)CC1 ZINC001254501814 806423082 /nfs/dbraw/zinc/42/30/82/806423082.db2.gz YLMJXEJXLSFYLZ-GOSISDBHSA-N 1 3 268.404 3.414 20 0 CGADHO CN1CCC[C@H]([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507335 806427875 /nfs/dbraw/zinc/42/78/75/806427875.db2.gz AUXFWXVFFMKHRP-XJKSGUPXSA-N 1 3 293.842 3.260 20 0 CGADHO CN1CCC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001254507161 806428198 /nfs/dbraw/zinc/42/81/98/806428198.db2.gz IEZXOMQGFSSNTC-RHSMWYFYSA-N 1 3 276.399 3.351 20 0 CGADHO COc1ccc(C2(N[C@@H]3CCC[N@H+](C)CC3)CCC2)cc1 ZINC001254510974 806430444 /nfs/dbraw/zinc/43/04/44/806430444.db2.gz SLNSYFRBJHMTND-MRXNPFEDSA-N 1 3 288.435 3.148 20 0 CGADHO COc1ccc(C2(N[C@@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254510974 806430452 /nfs/dbraw/zinc/43/04/52/806430452.db2.gz SLNSYFRBJHMTND-MRXNPFEDSA-N 1 3 288.435 3.148 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254526218 806441891 /nfs/dbraw/zinc/44/18/91/806441891.db2.gz PXUUXFIZDDMQNU-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254526218 806441894 /nfs/dbraw/zinc/44/18/94/806441894.db2.gz PXUUXFIZDDMQNU-KRWDZBQOSA-N 1 3 260.425 3.165 20 0 CGADHO CCCC[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001255317078 806609328 /nfs/dbraw/zinc/60/93/28/806609328.db2.gz JUIUNJXSJNHEEW-INIZCTEOSA-N 1 3 289.467 3.462 20 0 CGADHO C[C@@H](N)c1ccn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001255393562 806632028 /nfs/dbraw/zinc/63/20/28/806632028.db2.gz OVIDAOGQIBUVCL-WBVHZDCISA-N 1 3 298.434 3.130 20 0 CGADHO C[C@@H](N)c1ccn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255393562 806632032 /nfs/dbraw/zinc/63/20/32/806632032.db2.gz OVIDAOGQIBUVCL-WBVHZDCISA-N 1 3 298.434 3.130 20 0 CGADHO CSCCN(C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255410569 806635593 /nfs/dbraw/zinc/63/55/93/806635593.db2.gz ZEWIQWJQUZEOEV-KRWDZBQOSA-N 1 3 292.492 3.336 20 0 CGADHO CSCCN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410569 806635598 /nfs/dbraw/zinc/63/55/98/806635598.db2.gz ZEWIQWJQUZEOEV-KRWDZBQOSA-N 1 3 292.492 3.336 20 0 CGADHO C[N@@H+]1CCC[C@@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001255489539 806651047 /nfs/dbraw/zinc/65/10/47/806651047.db2.gz OWXMOLHGDUNKID-ZBFHGGJFSA-N 1 3 298.434 3.118 20 0 CGADHO C[N@H+]1CCC[C@@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001255489539 806651049 /nfs/dbraw/zinc/65/10/49/806651049.db2.gz OWXMOLHGDUNKID-ZBFHGGJFSA-N 1 3 298.434 3.118 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(OCC)cc2)CC1 ZINC000037149934 798860406 /nfs/dbraw/zinc/86/04/06/798860406.db2.gz YTTCHKYXEZZKFX-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cccc(OCC)c2)CC1 ZINC000037678940 798873094 /nfs/dbraw/zinc/87/30/94/798873094.db2.gz CDRKCTWFKVUTED-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cnc2ccccn21 ZINC001255664217 806699207 /nfs/dbraw/zinc/69/92/07/806699207.db2.gz XPAGHMLMXVJYPZ-WZYMTQMTSA-N 1 3 298.434 3.000 20 0 CGADHO C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnc2ccccn21 ZINC001255664217 806699211 /nfs/dbraw/zinc/69/92/11/806699211.db2.gz XPAGHMLMXVJYPZ-WZYMTQMTSA-N 1 3 298.434 3.000 20 0 CGADHO C(C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)CN1CCCC1 ZINC000216406615 799134148 /nfs/dbraw/zinc/13/41/48/799134148.db2.gz ISOYSJCLUIEMAA-BRWVUGGUSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000382138421 799392361 /nfs/dbraw/zinc/39/23/61/799392361.db2.gz BYKJOLPNWMXMAK-JTQLQIEISA-N 1 3 274.330 3.483 20 0 CGADHO Cc1ccc(C[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001255783903 806749159 /nfs/dbraw/zinc/74/91/59/806749159.db2.gz JVYBXBAFIBDFRM-KRWDZBQOSA-N 1 3 295.430 3.143 20 0 CGADHO CSCCCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395104933 799502300 /nfs/dbraw/zinc/50/23/00/799502300.db2.gz BWHATEXESOMICN-KBPBESRZSA-N 1 3 258.475 3.030 20 0 CGADHO C[C@H](CC[NH2+]Cc1ccc(Cl)c2cccnc12)N(C)C ZINC000697853605 799850159 /nfs/dbraw/zinc/85/01/59/799850159.db2.gz UNCOFOYOLZRBRV-GFCCVEGCSA-N 1 3 291.826 3.318 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1cccs1 ZINC001255939349 806789701 /nfs/dbraw/zinc/78/97/01/806789701.db2.gz CFHRWRCPWPGWDL-ZDUSSCGKSA-N 1 3 254.443 3.001 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255943802 806791142 /nfs/dbraw/zinc/79/11/42/806791142.db2.gz PVQHBTIBEDSSOA-HUUCEWRRSA-N 1 3 280.431 3.467 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC001255945075 806791176 /nfs/dbraw/zinc/79/11/76/806791176.db2.gz DKBZZLSYRRSATI-QWHCGFSZSA-N 1 3 262.388 3.274 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CN1 ZINC000708850891 799998107 /nfs/dbraw/zinc/99/81/07/799998107.db2.gz ROKNWKIJNZYFNQ-KBMXLJTQSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CN1 ZINC000708850891 799998110 /nfs/dbraw/zinc/99/81/10/799998110.db2.gz ROKNWKIJNZYFNQ-KBMXLJTQSA-N 1 3 250.430 3.029 20 0 CGADHO CCOC[C@@]12CCC[C@@H]1C[N@@H+]([C@H](C)CCN(CC)CC)C2 ZINC001255961617 806800885 /nfs/dbraw/zinc/80/08/85/806800885.db2.gz XCTKSKWTKUCGMO-KURKYZTESA-N 1 3 296.499 3.245 20 0 CGADHO Cc1ccc(F)c(CN(C)CCCCCC[NH3+])c1 ZINC000710730541 800038365 /nfs/dbraw/zinc/03/83/65/800038365.db2.gz UJVVXIRTFFRMQU-UHFFFAOYSA-N 1 3 252.377 3.085 20 0 CGADHO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)CCN(CC)CC)C2 ZINC001255961617 806800894 /nfs/dbraw/zinc/80/08/94/806800894.db2.gz XCTKSKWTKUCGMO-KURKYZTESA-N 1 3 296.499 3.245 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC000711051373 800046459 /nfs/dbraw/zinc/04/64/59/800046459.db2.gz UPJOOASKNOMCAI-INIZCTEOSA-N 1 3 260.425 3.348 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@@H]1C ZINC000715509608 800137337 /nfs/dbraw/zinc/13/73/37/800137337.db2.gz NFJNMSVBJYKBLP-LEOABGAYSA-N 1 3 252.446 3.274 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716265779 800166616 /nfs/dbraw/zinc/16/66/16/800166616.db2.gz BRNZRNUFOOZCOC-SMDDNHRTSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000716333029 800169025 /nfs/dbraw/zinc/16/90/25/800169025.db2.gz BWINWUKRISMXQG-CMPLNLGQSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@H](NCCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716333029 800169030 /nfs/dbraw/zinc/16/90/30/800169030.db2.gz BWINWUKRISMXQG-CMPLNLGQSA-N 1 3 287.234 3.266 20 0 CGADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716711539 800178390 /nfs/dbraw/zinc/17/83/90/800178390.db2.gz IFOZHAVJQNLKEZ-BZSNNMDCSA-N 1 3 272.436 3.285 20 0 CGADHO CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716709503 800179082 /nfs/dbraw/zinc/17/90/82/800179082.db2.gz AAKNUJSVYUBVLJ-ULQDDVLXSA-N 1 3 258.409 3.038 20 0 CGADHO CSC1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000720597491 800263063 /nfs/dbraw/zinc/26/30/63/800263063.db2.gz XBPBKBMGAJRCAC-HXSCFSKGSA-N 1 3 270.486 3.015 20 0 CGADHO CSCc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000724725659 800366133 /nfs/dbraw/zinc/36/61/33/800366133.db2.gz ZDYKZOQUEAFGGG-QGZVFWFLSA-N 1 3 292.492 3.371 20 0 CGADHO Cc1cccc2c1[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001256612706 806926529 /nfs/dbraw/zinc/92/65/29/806926529.db2.gz PUSWMLUQFRNZNW-WTXIUTQJSA-N 1 3 286.419 3.033 20 0 CGADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccs1 ZINC001256676422 806946031 /nfs/dbraw/zinc/94/60/31/806946031.db2.gz COLBXHMTONVRGA-WLYUNCDWSA-N 1 3 294.464 3.042 20 0 CGADHO CC1(C)CCCC[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687213 806948167 /nfs/dbraw/zinc/94/81/67/806948167.db2.gz QEXNPTAOCKPEHQ-OFLPRAFFSA-N 1 3 294.483 3.188 20 0 CGADHO CCN(C)C1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172382446 808275890 /nfs/dbraw/zinc/27/58/90/808275890.db2.gz LGKAJHCHGBBQJS-OFQRWUPVSA-N 1 3 252.446 3.227 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC001119623578 802686259 /nfs/dbraw/zinc/68/62/59/802686259.db2.gz IZPASPIKNQLSMS-YJBOKZPZSA-N 1 3 287.451 3.244 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3ccc(Cl)o3)C[C@@H]2C1 ZINC001119988139 802720565 /nfs/dbraw/zinc/72/05/65/802720565.db2.gz FUBNPOGDZKLQMR-FRRDWIJNSA-N 1 3 282.815 3.095 20 0 CGADHO Fc1ccc(C2=C[NH2+]CCC2)cc1CN1CCCC1 ZINC001243951253 803096840 /nfs/dbraw/zinc/09/68/40/803096840.db2.gz FMPFELHHYNYNBZ-UHFFFAOYSA-N 1 3 260.356 3.146 20 0 CGADHO Nc1nc2cc(-c3ccc(C4CC[NH2+]CC4)cc3)ccc2[nH]1 ZINC001245527063 803790600 /nfs/dbraw/zinc/79/06/00/803790600.db2.gz SPXCEDSYDSHCAP-UHFFFAOYSA-N 1 3 292.386 3.279 20 0 CGADHO Nc1nc2ccc(-c3ccc(C4CC[NH2+]CC4)cc3)cc2[nH]1 ZINC001245527063 803790605 /nfs/dbraw/zinc/79/06/05/803790605.db2.gz SPXCEDSYDSHCAP-UHFFFAOYSA-N 1 3 292.386 3.279 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246065123 804106294 /nfs/dbraw/zinc/10/62/94/804106294.db2.gz JQDJIHOBGHLXNP-CABCVRRESA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccccc2C)C[C@H](CC)[NH2+]1 ZINC001246076446 804114126 /nfs/dbraw/zinc/11/41/26/804114126.db2.gz OYGBBQQHPQWDLV-PIIMJCKOSA-N 1 3 274.452 3.436 20 0 CGADHO C[C@]1(CN[C@H]2Cc3ccc(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246096773 804128926 /nfs/dbraw/zinc/12/89/26/804128926.db2.gz FYLLNRRPYYIUOU-IRXDYDNUSA-N 1 3 292.854 3.177 20 0 CGADHO CCCCCC1CCC([NH2+][C@@H]2CCN[C@@H]2C)CC1 ZINC001246101360 804133433 /nfs/dbraw/zinc/13/34/33/804133433.db2.gz KWIJRTSEKZJQIT-PRLABOORSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246103403 804137062 /nfs/dbraw/zinc/13/70/62/804137062.db2.gz ZEUSJNQYXCDMJR-SJORKVTESA-N 1 3 290.451 3.138 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246103398 804137590 /nfs/dbraw/zinc/13/75/90/804137590.db2.gz ZEUSJNQYXCDMJR-DLBZAZTESA-N 1 3 290.451 3.138 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246118284 804149848 /nfs/dbraw/zinc/14/98/48/804149848.db2.gz PHZOHSUTACKZJA-BPQIPLTHSA-N 1 3 274.452 3.231 20 0 CGADHO Cc1cccc2[nH]cc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c21 ZINC001139200502 804159075 /nfs/dbraw/zinc/15/90/75/804159075.db2.gz ZFPXKIIHDGUPFY-SFHVURJKSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1cccc2[nH]cc(CN3CC[C@]4(CC[N@H+](C)C4)C3)c21 ZINC001139200502 804159079 /nfs/dbraw/zinc/15/90/79/804159079.db2.gz ZFPXKIIHDGUPFY-SFHVURJKSA-N 1 3 283.419 3.004 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246145780 804166820 /nfs/dbraw/zinc/16/68/20/804166820.db2.gz DVDXQNGRJOJBGY-NYMYIZQJSA-N 1 3 299.245 3.122 20 0 CGADHO Cc1ccccc1OCCCN[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246173127 804187238 /nfs/dbraw/zinc/18/72/38/804187238.db2.gz ZTQVZJGWTVCXLM-SJORKVTESA-N 1 3 290.451 3.130 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246172984 804187842 /nfs/dbraw/zinc/18/78/42/804187842.db2.gz FNONPXVBCNDBRI-JKSUJKDBSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@@H]1C[C@H](NCCSCc2ccc(F)cc2)CC[NH2+]1 ZINC001246173033 804187920 /nfs/dbraw/zinc/18/79/20/804187920.db2.gz JQFNGYXAIJCOPT-HZPDHXFCSA-N 1 3 296.455 3.179 20 0 CGADHO c1ccc(C2([NH2+][C@@H]3CCCCNC3)CCCC2)cc1 ZINC001246174848 804189127 /nfs/dbraw/zinc/18/91/27/804189127.db2.gz FMZKUJAQAKFNHR-MRXNPFEDSA-N 1 3 258.409 3.188 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246175929 804190698 /nfs/dbraw/zinc/19/06/98/804190698.db2.gz JGTWZBSXCSRKEX-HNNXBMFYSA-N 1 3 280.843 3.393 20 0 CGADHO CCC[C@H](Cc1ccccc1)N[C@]1(C)CCC[NH2+]C1 ZINC001246192038 804199942 /nfs/dbraw/zinc/19/99/42/804199942.db2.gz YBCXDQJCIUFJIS-IAGOWNOFSA-N 1 3 260.425 3.130 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246192046 804200930 /nfs/dbraw/zinc/20/09/30/804200930.db2.gz YGOWKTYFYDGXFN-ZMLRMANQSA-N 1 3 287.234 3.394 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]([NH3+])C1 ZINC001246192046 804200940 /nfs/dbraw/zinc/20/09/40/804200940.db2.gz YGOWKTYFYDGXFN-ZMLRMANQSA-N 1 3 287.234 3.394 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282922 804258009 /nfs/dbraw/zinc/25/80/09/804258009.db2.gz ZCCDAVISOCTSPM-HUUCEWRRSA-N 1 3 296.405 3.408 20 0 CGADHO c1ccc([C@H]([NH2+][C@@H]2CCCCNC2)C2CCC2)cc1 ZINC001246286976 804260111 /nfs/dbraw/zinc/26/01/11/804260111.db2.gz JBMCMQNHPOHJRG-SJORKVTESA-N 1 3 258.409 3.260 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@H](C)CSc1ccc(F)cc1 ZINC001246300771 804266519 /nfs/dbraw/zinc/26/65/19/804266519.db2.gz OORBAXWTUJGHHR-TZMCWYRMSA-N 1 3 284.444 3.269 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@H](C)Cc1ccccc1Br ZINC001246308846 804270967 /nfs/dbraw/zinc/27/09/67/804270967.db2.gz SHVRVHWYSVTVPA-DGCLKSJQSA-N 1 3 299.256 3.097 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246310796 804273302 /nfs/dbraw/zinc/27/33/02/804273302.db2.gz QUCCPNNANWJAFJ-IXDOHACOSA-N 1 3 292.854 3.318 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001246329748 804284635 /nfs/dbraw/zinc/28/46/35/804284635.db2.gz SMWALYZWBSEJDG-BPQIPLTHSA-N 1 3 274.452 3.374 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246330421 804286439 /nfs/dbraw/zinc/28/64/39/804286439.db2.gz ZFIMZZMQAFELIL-JKSUJKDBSA-N 1 3 296.405 3.408 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246332596 804288337 /nfs/dbraw/zinc/28/83/37/804288337.db2.gz HUJCANBJSTWVQH-SOUVJXGZSA-N 1 3 264.457 3.466 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246332582 804288506 /nfs/dbraw/zinc/28/85/06/804288506.db2.gz HUJCANBJSTWVQH-KKUMJFAQSA-N 1 3 264.457 3.466 20 0 CGADHO Cc1ccc(Cl)c(CC[NH2+][C@H]2CCCCNC2)c1F ZINC001246342146 804294162 /nfs/dbraw/zinc/29/41/62/804294162.db2.gz FSBZYKVXHNYMIB-LBPRGKRZSA-N 1 3 284.806 3.062 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246373920 804309503 /nfs/dbraw/zinc/30/95/03/804309503.db2.gz RUCRMWVPMYKBEM-HOCLYGCPSA-N 1 3 260.425 3.046 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883175 804312264 /nfs/dbraw/zinc/31/22/64/804312264.db2.gz FWLZHFSSLAUKLJ-WMZOPIPTSA-N 1 3 270.420 3.090 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)C[C@@H]21 ZINC001139883175 804312272 /nfs/dbraw/zinc/31/22/72/804312272.db2.gz FWLZHFSSLAUKLJ-WMZOPIPTSA-N 1 3 270.420 3.090 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246394081 804320706 /nfs/dbraw/zinc/32/07/06/804320706.db2.gz QWUQSRUACILWJQ-IAGOWNOFSA-N 1 3 290.426 3.411 20 0 CGADHO CC1(C)C[C@@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246420569 804327393 /nfs/dbraw/zinc/32/73/93/804327393.db2.gz JTXPNEUSFXQSFH-LBPRGKRZSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246431046 804328837 /nfs/dbraw/zinc/32/88/37/804328837.db2.gz INULDZZTJGHIQS-XJKSGUPXSA-N 1 3 278.415 3.125 20 0 CGADHO CC1(C)C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246441276 804333083 /nfs/dbraw/zinc/33/30/83/804333083.db2.gz ZTLSPZFSHYAZBF-MRXNPFEDSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246447138 804335116 /nfs/dbraw/zinc/33/51/16/804335116.db2.gz OWHOMIOCEMBDSY-HZPDHXFCSA-N 1 3 296.499 3.482 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H]1CC12CNC2 ZINC001246453945 804335773 /nfs/dbraw/zinc/33/57/73/804335773.db2.gz YKFPKQFRGPFKNS-QMTHXVAHSA-N 1 3 299.245 3.266 20 0 CGADHO CC[C@@H]1C[C@H](N[C@@H]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246452689 804336906 /nfs/dbraw/zinc/33/69/06/804336906.db2.gz LTICBXBUOVAPJC-XDNAFOTISA-N 1 3 290.426 3.192 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246458622 804340137 /nfs/dbraw/zinc/34/01/37/804340137.db2.gz HKILQCCAOZMBTM-IUPBHXKESA-N 1 3 287.234 3.394 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cc3ccccc3cn2)CC1 ZINC001139997671 804347421 /nfs/dbraw/zinc/34/74/21/804347421.db2.gz IEMGRSBFGFAZCS-UHFFFAOYSA-N 1 3 283.419 3.008 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246472781 804349080 /nfs/dbraw/zinc/34/90/80/804349080.db2.gz IWCJYQZWGGMNDD-SOUVJXGZSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@@H]1C[C@H](NC[C@@H]2CNc3ccccc32)C[C@H](CC)[NH2+]1 ZINC001246476145 804352290 /nfs/dbraw/zinc/35/22/90/804352290.db2.gz WLEHNSRURIYLBF-WCVJEAGWSA-N 1 3 287.451 3.095 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246476248 804353393 /nfs/dbraw/zinc/35/33/93/804353393.db2.gz YGFQBVMNPZGDIA-SWLSCSKDSA-N 1 3 278.827 3.003 20 0 CGADHO CCCC(CN)(CCC)[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001246494076 804360324 /nfs/dbraw/zinc/36/03/24/804360324.db2.gz CZOAWLAEMUBWFG-INIZCTEOSA-N 1 3 295.515 3.281 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246498755 804362613 /nfs/dbraw/zinc/36/26/13/804362613.db2.gz IVRYIQZPCHJZID-ZIAGYGMSSA-N 1 3 252.446 3.179 20 0 CGADHO [NH3+]C[C@@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506739 804365806 /nfs/dbraw/zinc/36/58/06/804365806.db2.gz JKUVCSRRTPBRHR-MELADBBJSA-N 1 3 286.341 3.397 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)C2CNC2)CC(C)(C)C1 ZINC001246513857 804369705 /nfs/dbraw/zinc/36/97/05/804369705.db2.gz FLKGIOBNEJKASA-KCXAZCMYSA-N 1 3 264.457 3.179 20 0 CGADHO CCCCC[C@H](CCC)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246513851 804369841 /nfs/dbraw/zinc/36/98/41/804369841.db2.gz FHWYJESLINRPRR-JKSUJKDBSA-N 1 3 252.446 3.323 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+][C@H](C2CCC2)C2CNC2)cc1 ZINC001246513907 804370536 /nfs/dbraw/zinc/37/05/36/804370536.db2.gz FYPHDQXCQXHIPR-IFXJQAMLSA-N 1 3 286.463 3.158 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H](C(C)C)C2C[NH2+]C2)cc1 ZINC001246519251 804371711 /nfs/dbraw/zinc/37/17/11/804371711.db2.gz RHPLUAUKBPCHFV-YOEHRIQHSA-N 1 3 292.492 3.309 20 0 CGADHO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)C1CNC1 ZINC001246521030 804376340 /nfs/dbraw/zinc/37/63/40/804376340.db2.gz YJEVCSMRJRKWMR-RHSMWYFYSA-N 1 3 292.854 3.031 20 0 CGADHO C[C@]1([NH3+])CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531400 804384616 /nfs/dbraw/zinc/38/46/16/804384616.db2.gz QQGBQIQIILJVAI-ZACQAIPSSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2c2ccccc2)CCN1 ZINC001246549927 804400407 /nfs/dbraw/zinc/40/04/07/804400407.db2.gz MKVWBNLMABDUDA-HYVNUMGLSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2c2ccccc2)CCN1 ZINC001246549927 804400411 /nfs/dbraw/zinc/40/04/11/804400411.db2.gz MKVWBNLMABDUDA-HYVNUMGLSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@]1([NH3+])CCCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553398 804402054 /nfs/dbraw/zinc/40/20/54/804402054.db2.gz RMJYCMDFSZIAFX-PBHICJAKSA-N 1 3 292.854 3.401 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246563030 804411783 /nfs/dbraw/zinc/41/17/83/804411783.db2.gz ISDKGSUUNORDPI-UIDBIOKJSA-N 1 3 252.446 3.260 20 0 CGADHO CC(C)C1CCC([N@H+]2CCC[C@@H](CN)[C@@H]2C)CC1 ZINC001246563030 804411788 /nfs/dbraw/zinc/41/17/88/804411788.db2.gz ISDKGSUUNORDPI-UIDBIOKJSA-N 1 3 252.446 3.260 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001246565779 804413533 /nfs/dbraw/zinc/41/35/33/804413533.db2.gz PUAYTLPKPVEUAQ-LZLYRXPVSA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](CN)[C@H]2C)cc1 ZINC001246565779 804413537 /nfs/dbraw/zinc/41/35/37/804413537.db2.gz PUAYTLPKPVEUAQ-LZLYRXPVSA-N 1 3 274.452 3.375 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CC[NH2+]C[C@@H](C)C1 ZINC001246570449 804417126 /nfs/dbraw/zinc/41/71/26/804417126.db2.gz INXOKRBKCFUTSV-AEFFLSMTSA-N 1 3 274.452 3.329 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001246590056 804430988 /nfs/dbraw/zinc/43/09/88/804430988.db2.gz IBHZXSZNIMBMST-LZLYRXPVSA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2C[C@@H](CN)CC[C@H]2C)cc1 ZINC001246590056 804430992 /nfs/dbraw/zinc/43/09/92/804430992.db2.gz IBHZXSZNIMBMST-LZLYRXPVSA-N 1 3 274.452 3.375 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591952 804433990 /nfs/dbraw/zinc/43/39/90/804433990.db2.gz JYICUDLPVUFBEX-IRXDYDNUSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591952 804433994 /nfs/dbraw/zinc/43/39/94/804433994.db2.gz JYICUDLPVUFBEX-IRXDYDNUSA-N 1 3 292.854 3.258 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246604401 804440030 /nfs/dbraw/zinc/44/00/30/804440030.db2.gz LROUFACGMQHNDA-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246604401 804440033 /nfs/dbraw/zinc/44/00/33/804440033.db2.gz LROUFACGMQHNDA-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1C[C@@H](N2CC[C@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246612394 804446246 /nfs/dbraw/zinc/44/62/46/804446246.db2.gz GTCUXSOLLAAFEA-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246613356 804447239 /nfs/dbraw/zinc/44/72/39/804447239.db2.gz YFLPTOAVGXQNPY-MOPGFXCFSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246613356 804447245 /nfs/dbraw/zinc/44/72/45/804447245.db2.gz YFLPTOAVGXQNPY-MOPGFXCFSA-N 1 3 284.447 3.070 20 0 CGADHO CC(C)=CCC[C@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246611993 804447407 /nfs/dbraw/zinc/44/74/07/804447407.db2.gz VXWWPJWRDOIRPJ-JKSUJKDBSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246611993 804447411 /nfs/dbraw/zinc/44/74/11/804447411.db2.gz VXWWPJWRDOIRPJ-JKSUJKDBSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246611993 804447413 /nfs/dbraw/zinc/44/74/13/804447413.db2.gz VXWWPJWRDOIRPJ-JKSUJKDBSA-N 1 3 250.430 3.339 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001246623346 804455760 /nfs/dbraw/zinc/45/57/60/804455760.db2.gz PVMMUYGHQYDIKK-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001246623346 804455764 /nfs/dbraw/zinc/45/57/64/804455764.db2.gz PVMMUYGHQYDIKK-MSOLQXFVSA-N 1 3 272.436 3.226 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CCC(F)(C[NH3+])CC1 ZINC001246630095 804460855 /nfs/dbraw/zinc/46/08/55/804460855.db2.gz RQGSCXIVWWHPOH-LBPRGKRZSA-N 1 3 284.806 3.034 20 0 CGADHO CCCCCC[C@@H](CCC)[N@@H+]1CCC2(CNC2)C1 ZINC001246632558 804462118 /nfs/dbraw/zinc/46/21/18/804462118.db2.gz XHMUHRGZKTZJGM-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@@H](CCC)[N@H+]1CCC2(CNC2)C1 ZINC001246632558 804462122 /nfs/dbraw/zinc/46/21/22/804462122.db2.gz XHMUHRGZKTZJGM-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[C@H](CC)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246637237 804465506 /nfs/dbraw/zinc/46/55/06/804465506.db2.gz MRDIPYFZQKGYFC-DLBZAZTESA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246637237 804465508 /nfs/dbraw/zinc/46/55/08/804465508.db2.gz MRDIPYFZQKGYFC-DLBZAZTESA-N 1 3 282.472 3.047 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246637237 804465513 /nfs/dbraw/zinc/46/55/13/804465513.db2.gz MRDIPYFZQKGYFC-DLBZAZTESA-N 1 3 282.472 3.047 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CCCC[C@]12CC[NH2+]C2 ZINC001246642994 804470520 /nfs/dbraw/zinc/47/05/20/804470520.db2.gz LDOLQKUHSMNAOS-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@]13CCCNC3)CC2 ZINC001246649533 804477530 /nfs/dbraw/zinc/47/75/30/804477530.db2.gz CMFDEMJOTVVZLQ-VQTJNVASSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@]13CCCNC3)CC2 ZINC001246649533 804477534 /nfs/dbraw/zinc/47/75/34/804477534.db2.gz CMFDEMJOTVVZLQ-VQTJNVASSA-N 1 3 298.474 3.460 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246653778 804480196 /nfs/dbraw/zinc/48/01/96/804480196.db2.gz JGAOOYUEEHKALK-RCCFBDPRSA-N 1 3 272.436 3.211 20 0 CGADHO CCCCC1CC[NH+]([C@H]2CCN[C@H](CC)C2)CC1 ZINC001246681819 804494761 /nfs/dbraw/zinc/49/47/61/804494761.db2.gz QYILBVHCBMGNOY-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1C[C@H](C2(N)CC2)[C@H](CF)C1 ZINC001246687026 804495766 /nfs/dbraw/zinc/49/57/66/804495766.db2.gz CNFNCBTZZDKXNH-ZBFHGGJFSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@H](C2(N)CC2)[C@H](CF)C1 ZINC001246687026 804495770 /nfs/dbraw/zinc/49/57/70/804495770.db2.gz CNFNCBTZZDKXNH-ZBFHGGJFSA-N 1 3 284.463 3.456 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246779476 804505766 /nfs/dbraw/zinc/50/57/66/804505766.db2.gz HUXWDHPWTQIVER-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246779476 804505769 /nfs/dbraw/zinc/50/57/69/804505769.db2.gz HUXWDHPWTQIVER-IAGOWNOFSA-N 1 3 260.425 3.069 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC001246775946 804505880 /nfs/dbraw/zinc/50/58/80/804505880.db2.gz LIOQJRHBIHANGP-GJZGRUSLSA-N 1 3 278.465 3.146 20 0 CGADHO Cc1ccc(SC[C@H](C)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001246839235 804547985 /nfs/dbraw/zinc/54/79/85/804547985.db2.gz CDHMLNNWFIHGLA-MPTYRVRUSA-N 1 3 290.476 3.145 20 0 CGADHO CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001246842307 804549772 /nfs/dbraw/zinc/54/97/72/804549772.db2.gz PHHVPFNXLFLUDB-ZFWWWQNUSA-N 1 3 292.854 3.129 20 0 CGADHO CC[C@H](C)N(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246934444 804607155 /nfs/dbraw/zinc/60/71/55/804607155.db2.gz FEHSUQMHIRMICC-ZDUSSCGKSA-N 1 3 264.388 3.178 20 0 CGADHO CC[C@H](C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246934444 804607157 /nfs/dbraw/zinc/60/71/57/804607157.db2.gz FEHSUQMHIRMICC-ZDUSSCGKSA-N 1 3 264.388 3.178 20 0 CGADHO CC[C@H](C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246934444 804607159 /nfs/dbraw/zinc/60/71/59/804607159.db2.gz FEHSUQMHIRMICC-ZDUSSCGKSA-N 1 3 264.388 3.178 20 0 CGADHO CCC[C@@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246935611 804608801 /nfs/dbraw/zinc/60/88/01/804608801.db2.gz GPHMWAJSLBZXRL-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246935611 804608803 /nfs/dbraw/zinc/60/88/03/804608803.db2.gz GPHMWAJSLBZXRL-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246938315 804611101 /nfs/dbraw/zinc/61/11/01/804611101.db2.gz LXSRINKTYKMMLS-ZNMIVQPWSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246938315 804611098 /nfs/dbraw/zinc/61/10/98/804611098.db2.gz LXSRINKTYKMMLS-ZNMIVQPWSA-N 1 3 252.446 3.418 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(F)cc1 ZINC001246942163 804612934 /nfs/dbraw/zinc/61/29/34/804612934.db2.gz NIRXKTCSAUXADG-KBPBESRZSA-N 1 3 296.455 3.238 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)N1CC[C@](C)(C[NH3+])C1 ZINC001246970396 804623153 /nfs/dbraw/zinc/62/31/53/804623153.db2.gz YRHWRPALZKZJCH-SWLSCSKDSA-N 1 3 298.883 3.491 20 0 CGADHO Cc1ccc(C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973026 804623193 /nfs/dbraw/zinc/62/31/93/804623193.db2.gz LLQPQESKKPCFKA-WMZOPIPTSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@H](C)[N@H+](C[C@H]2CCCNC2)C2CC2)cc1 ZINC001246973026 804623196 /nfs/dbraw/zinc/62/31/96/804623196.db2.gz LLQPQESKKPCFKA-WMZOPIPTSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@H](C)[N@@H+](C[C@H]2CCCNC2)C2CC2)cc1 ZINC001246973026 804623200 /nfs/dbraw/zinc/62/32/00/804623200.db2.gz LLQPQESKKPCFKA-WMZOPIPTSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+](C[C@@H]1CCCNC1)C1CC1)CC2 ZINC001246975066 804624521 /nfs/dbraw/zinc/62/45/21/804624521.db2.gz RZBMJXPNKDRFQV-UZLBHIALSA-N 1 3 298.474 3.316 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+](C[C@@H]1CCCNC1)C1CC1)CC2 ZINC001246975066 804624524 /nfs/dbraw/zinc/62/45/24/804624524.db2.gz RZBMJXPNKDRFQV-UZLBHIALSA-N 1 3 298.474 3.316 20 0 CGADHO c1ccc2c(c1)CCC([N@H+](C[C@@H]1CCCNC1)C1CC1)CC2 ZINC001246975004 804624639 /nfs/dbraw/zinc/62/46/39/804624639.db2.gz RGYCKSDOPCJLQY-MRXNPFEDSA-N 1 3 298.474 3.398 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+](C[C@@H]1CCCNC1)C1CC1)CC2 ZINC001246975004 804624642 /nfs/dbraw/zinc/62/46/42/804624642.db2.gz RGYCKSDOPCJLQY-MRXNPFEDSA-N 1 3 298.474 3.398 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977997 804626322 /nfs/dbraw/zinc/62/63/22/804626322.db2.gz GTQXCROGIQCHIM-UHOSZYNNSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977997 804626326 /nfs/dbraw/zinc/62/63/26/804626326.db2.gz GTQXCROGIQCHIM-UHOSZYNNSA-N 1 3 286.463 3.472 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005524 804637042 /nfs/dbraw/zinc/63/70/42/804637042.db2.gz SDRJQBIBVYVWCI-FGTMMUONSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247005524 804637044 /nfs/dbraw/zinc/63/70/44/804637044.db2.gz SDRJQBIBVYVWCI-FGTMMUONSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015255 804643515 /nfs/dbraw/zinc/64/35/15/804643515.db2.gz NQLWBJCUBVLSMJ-WDSOQIARSA-N 1 3 286.463 3.390 20 0 CGADHO CCC1CCC([NH+]2CC3(C2)CCN(CC2CC2)C3)CC1 ZINC001256872425 806997228 /nfs/dbraw/zinc/99/72/28/806997228.db2.gz KMZFCQDFUKCRRP-UHFFFAOYSA-N 1 3 276.468 3.373 20 0 CGADHO CCCC(CCC)[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001257339064 807114504 /nfs/dbraw/zinc/11/45/04/807114504.db2.gz HMHQKVQQOKTNKQ-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CCCC[C@@H](CC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257415129 807144963 /nfs/dbraw/zinc/14/49/63/807144963.db2.gz WRJPNKRFTANXKG-QGZVFWFLSA-N 1 3 296.499 3.436 20 0 CGADHO CCCC[C@@H](CC)[NH+](CCCN(C)C)CCCN(C)C ZINC001257425603 807149578 /nfs/dbraw/zinc/14/95/78/807149578.db2.gz VLBYOXWGGCTSHO-QGZVFWFLSA-N 1 3 285.520 3.161 20 0 CGADHO CC(C)CN1CCC([NH2+]CCSCc2ccco2)CC1 ZINC001258002266 807263323 /nfs/dbraw/zinc/26/33/23/807263323.db2.gz GJXIBXGWSUYABF-UHFFFAOYSA-N 1 3 296.480 3.223 20 0 CGADHO CC(C)C[NH+]1CCC(NCCSCc2ccco2)CC1 ZINC001258002266 807263330 /nfs/dbraw/zinc/26/33/30/807263330.db2.gz GJXIBXGWSUYABF-UHFFFAOYSA-N 1 3 296.480 3.223 20 0 CGADHO CCC(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167960141 807286891 /nfs/dbraw/zinc/28/68/91/807286891.db2.gz WKZJBCQCGZTCDM-MQVJKMGUSA-N 1 3 250.430 3.170 20 0 CGADHO CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167969085 807287474 /nfs/dbraw/zinc/28/74/74/807287474.db2.gz ZWOCUWMYOYYBTB-WWTUQBGBSA-N 1 3 250.430 3.170 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258073713 807290521 /nfs/dbraw/zinc/29/05/21/807290521.db2.gz FLQJLLSPLUWJKQ-CVEARBPZSA-N 1 3 266.473 3.475 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258093315 807302773 /nfs/dbraw/zinc/30/27/73/807302773.db2.gz QFQGSQAEKCHJOI-OAGGEKHMSA-N 1 3 250.430 3.005 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258093315 807302780 /nfs/dbraw/zinc/30/27/80/807302780.db2.gz QFQGSQAEKCHJOI-OAGGEKHMSA-N 1 3 250.430 3.005 20 0 CGADHO c1ccc([C@@H]2CC[N@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168387422 807399050 /nfs/dbraw/zinc/39/90/50/807399050.db2.gz IJBPFWYJAGQFBK-SFHVURJKSA-N 1 3 270.420 3.308 20 0 CGADHO c1ccc([C@@H]2CC[N@@H+]2C2CCN(CC3CC3)CC2)cc1 ZINC001168387422 807399056 /nfs/dbraw/zinc/39/90/56/807399056.db2.gz IJBPFWYJAGQFBK-SFHVURJKSA-N 1 3 270.420 3.308 20 0 CGADHO CCCCC[C@H](CC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258443322 807452941 /nfs/dbraw/zinc/45/29/41/807452941.db2.gz LCHVSNLEBMZLIV-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO Cc1nc2ccc(N[C@H]3CCCC[C@@H]3[NH+](C)C)cc2[nH]1 ZINC001168601605 807454228 /nfs/dbraw/zinc/45/42/28/807454228.db2.gz QJTDGFNNHMRBNM-HOCLYGCPSA-N 1 3 272.396 3.156 20 0 CGADHO C[C@H](CC1CC1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001258447712 807455599 /nfs/dbraw/zinc/45/55/99/807455599.db2.gz VYEBKAHNROVSMC-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001258447708 807455783 /nfs/dbraw/zinc/45/57/83/807455783.db2.gz VYEBKAHNROVSMC-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCN(c3ccncc3)CC2)CC(C)(C)C1 ZINC001258694347 807549215 /nfs/dbraw/zinc/54/92/15/807549215.db2.gz PQLXCVFEXWSUPU-NVXWUHKLSA-N 1 3 287.451 3.418 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258705215 807560263 /nfs/dbraw/zinc/56/02/63/807560263.db2.gz VRGHLFSLHKLIFE-WCXIOVBPSA-N 1 3 278.484 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258705215 807560266 /nfs/dbraw/zinc/56/02/66/807560266.db2.gz VRGHLFSLHKLIFE-WCXIOVBPSA-N 1 3 278.484 3.475 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ncccc1C ZINC001169090640 807572061 /nfs/dbraw/zinc/57/20/61/807572061.db2.gz JYSJKXKCPZFKLP-LVQVYYBASA-N 1 3 273.424 3.056 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C2 ZINC001169096189 807574388 /nfs/dbraw/zinc/57/43/88/807574388.db2.gz VOMWFYICLSZREA-QDMKHBRRSA-N 1 3 280.362 3.339 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)C2 ZINC001169112889 807580674 /nfs/dbraw/zinc/58/06/74/807580674.db2.gz ULFVEIIEDFVACV-MUJYYYPQSA-N 1 3 274.383 3.030 20 0 CGADHO COc1ccccc1C(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169114964 807581849 /nfs/dbraw/zinc/58/18/49/807581849.db2.gz FVXNWZSCKXPRMF-QDMKHBRRSA-N 1 3 288.435 3.145 20 0 CGADHO Cc1ccc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)c2n1 ZINC001169123055 807584041 /nfs/dbraw/zinc/58/40/41/807584041.db2.gz IIFRYXQGPXRCIC-NNZMDNLPSA-N 1 3 295.430 3.258 20 0 CGADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001169123852 807584818 /nfs/dbraw/zinc/58/48/18/807584818.db2.gz KVKIHOKUWBMKHH-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC001169125403 807586099 /nfs/dbraw/zinc/58/60/99/807586099.db2.gz HSYWMASORLTTRP-LLLHUVSDSA-N 1 3 270.420 3.231 20 0 CGADHO C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc21 ZINC001169125403 807586104 /nfs/dbraw/zinc/58/61/04/807586104.db2.gz HSYWMASORLTTRP-LLLHUVSDSA-N 1 3 270.420 3.231 20 0 CGADHO CC[NH+]1CCC(n2c(-c3ccccc3)cnc2[C@H](C)N)CC1 ZINC001169232768 807611216 /nfs/dbraw/zinc/61/12/16/807611216.db2.gz ABGNPPRLAUKMCM-AWEZNQCLSA-N 1 3 298.434 3.227 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789712 807614687 /nfs/dbraw/zinc/61/46/87/807614687.db2.gz DFHYGASUYVKIAI-LVQVYYBASA-N 1 3 252.446 3.085 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789712 807614690 /nfs/dbraw/zinc/61/46/90/807614690.db2.gz DFHYGASUYVKIAI-LVQVYYBASA-N 1 3 252.446 3.085 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C3CCC(C(C)C)CC3)C[C@H]2C1 ZINC001258805882 807624997 /nfs/dbraw/zinc/62/49/97/807624997.db2.gz AGEZEOLIBHJTRQ-QLOLRVAOSA-N 1 3 278.484 3.475 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001170579100 807859238 /nfs/dbraw/zinc/85/92/38/807859238.db2.gz PQYHBFKGCGKLIP-GOSISDBHSA-N 1 3 297.531 3.351 20 0 CGADHO Cc1ccc(-c2ccccc2)c(N[C@@H](N)CCC[NH3+])c1 ZINC001170901340 807928355 /nfs/dbraw/zinc/92/83/55/807928355.db2.gz ZMUZSFUBFHWTOR-QGZVFWFLSA-N 1 3 269.392 3.098 20 0 CGADHO CC1([NH3+])CCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171105163 807985499 /nfs/dbraw/zinc/98/54/99/807985499.db2.gz PFCQMDQABHNIOQ-HNNXBMFYSA-N 1 3 278.827 3.011 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCCc2ccccn2)CC1(C)C ZINC001171623456 808106115 /nfs/dbraw/zinc/10/61/15/808106115.db2.gz ZRLKERILRHQTGI-UHFFFAOYSA-N 1 3 289.467 3.255 20 0 CGADHO CCCCC(=O)[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623361 808106876 /nfs/dbraw/zinc/10/68/76/808106876.db2.gz VNEFXYZNVXVKER-ZDUSSCGKSA-N 1 3 282.472 3.375 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CCC1 ZINC001171629642 808108030 /nfs/dbraw/zinc/10/80/30/808108030.db2.gz AISFVNMPPJFGPR-LBPRGKRZSA-N 1 3 252.446 3.416 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1(C)C ZINC001171631229 808108390 /nfs/dbraw/zinc/10/83/90/808108390.db2.gz GJNOPDBTJIFMFL-HOCLYGCPSA-N 1 3 294.483 3.139 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1(C)C ZINC001171631229 808108395 /nfs/dbraw/zinc/10/83/95/808108395.db2.gz GJNOPDBTJIFMFL-HOCLYGCPSA-N 1 3 294.483 3.139 20 0 CGADHO C[C@@H]1C[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@]1(C)O ZINC001171631753 808108892 /nfs/dbraw/zinc/10/88/92/808108892.db2.gz NIIGDAKBDWISKR-KDOFPFPSSA-N 1 3 296.499 3.121 20 0 CGADHO C[C@@H]1C[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@]1(C)O ZINC001171631753 808108895 /nfs/dbraw/zinc/10/88/95/808108895.db2.gz NIIGDAKBDWISKR-KDOFPFPSSA-N 1 3 296.499 3.121 20 0 CGADHO CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172079763 808169891 /nfs/dbraw/zinc/16/98/91/808169891.db2.gz QXHZGXDSZZHWGZ-FVQHAEBGSA-N 1 3 258.409 3.134 20 0 CGADHO CN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079763 808169896 /nfs/dbraw/zinc/16/98/96/808169896.db2.gz QXHZGXDSZZHWGZ-FVQHAEBGSA-N 1 3 258.409 3.134 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172100530 808172405 /nfs/dbraw/zinc/17/24/05/808172405.db2.gz DOWUSDUHXSLLPF-MXASKKJJSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172100530 808172411 /nfs/dbraw/zinc/17/24/11/808172411.db2.gz DOWUSDUHXSLLPF-MXASKKJJSA-N 1 3 288.435 3.361 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3F)C2 ZINC001172106503 808176769 /nfs/dbraw/zinc/17/67/69/808176769.db2.gz PPSKXYBXLQOCCK-ZUMXRPEOSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCc3c1cccc3F)C2 ZINC001172106503 808176771 /nfs/dbraw/zinc/17/67/71/808176771.db2.gz PPSKXYBXLQOCCK-ZUMXRPEOSA-N 1 3 288.410 3.418 20 0 CGADHO CC[C@H](CC(C)C)[NH+]1CCC(N2CCCC2)CC1 ZINC001172398582 808287835 /nfs/dbraw/zinc/28/78/35/808287835.db2.gz GDDMTZDGNLKCGQ-OAHLLOKOSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545492 808375214 /nfs/dbraw/zinc/37/52/14/808375214.db2.gz CEEVNSVOZCPNAE-IAGOWNOFSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545492 808375221 /nfs/dbraw/zinc/37/52/21/808375221.db2.gz CEEVNSVOZCPNAE-IAGOWNOFSA-N 1 3 260.425 3.382 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644272 808406243 /nfs/dbraw/zinc/40/62/43/808406243.db2.gz LZLVQRQVSJTKKK-UHFFFAOYSA-N 1 3 284.488 3.434 20 0 CGADHO CC1CCN(CCC[NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172643757 808406690 /nfs/dbraw/zinc/40/66/90/808406690.db2.gz AWDCWYGVRUJMPS-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCN1CCCC1 ZINC001172836693 808452458 /nfs/dbraw/zinc/45/24/58/808452458.db2.gz CDIBVMIWDZHJCN-CYBMUJFWSA-N 1 3 298.833 3.486 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NCCC[NH+]1CCCC1 ZINC001172836693 808452460 /nfs/dbraw/zinc/45/24/60/808452460.db2.gz CDIBVMIWDZHJCN-CYBMUJFWSA-N 1 3 298.833 3.486 20 0 CGADHO CC[NH+](CC)C1CCC(N2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001173110344 808513182 /nfs/dbraw/zinc/51/31/82/808513182.db2.gz RVEVRJIGFSSACZ-SSHXOBKSSA-N 1 3 288.426 3.411 20 0 CGADHO CCc1ccc(C[C@H](C)N2CCC([NH+]3CCC3)CC2)cc1 ZINC001173248302 808554607 /nfs/dbraw/zinc/55/46/07/808554607.db2.gz UBAVKHPNKCKUDT-INIZCTEOSA-N 1 3 286.463 3.350 20 0 CGADHO CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173276837 808580231 /nfs/dbraw/zinc/58/02/31/808580231.db2.gz VYOCPAVFPRXFGG-CRAIPNDOSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)C1 ZINC001173288559 808588823 /nfs/dbraw/zinc/58/88/23/808588823.db2.gz NNGHIBYERAICQA-BPQIPLTHSA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)C1 ZINC001173288559 808588829 /nfs/dbraw/zinc/58/88/29/808588829.db2.gz NNGHIBYERAICQA-BPQIPLTHSA-N 1 3 294.483 3.140 20 0 CGADHO CCSC[C@H](C)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001173304201 808602422 /nfs/dbraw/zinc/60/24/22/808602422.db2.gz GBIGFKPMWGTHPX-HOTGVXAUSA-N 1 3 284.513 3.468 20 0 CGADHO CCSC[C@H](C)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001173304201 808602427 /nfs/dbraw/zinc/60/24/27/808602427.db2.gz GBIGFKPMWGTHPX-HOTGVXAUSA-N 1 3 284.513 3.468 20 0 CGADHO c1c[nH]c(C[N@H+]2CCC3(C2)CCN(Cc2ccco2)CC3)c1 ZINC001275236724 808922181 /nfs/dbraw/zinc/92/21/81/808922181.db2.gz YXRMXWDRGJVYTI-UHFFFAOYSA-N 1 3 299.418 3.096 20 0 CGADHO c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(Cc2ccco2)CC3)c1 ZINC001275236724 808922186 /nfs/dbraw/zinc/92/21/86/808922186.db2.gz YXRMXWDRGJVYTI-UHFFFAOYSA-N 1 3 299.418 3.096 20 0 CGADHO Cc1cc(O)cc(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)c1 ZINC001275593756 808951079 /nfs/dbraw/zinc/95/10/79/808951079.db2.gz GPMBAZOYSDENEA-SFHVURJKSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1cc(O)cc(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)c1 ZINC001275593756 808951084 /nfs/dbraw/zinc/95/10/84/808951084.db2.gz GPMBAZOYSDENEA-SFHVURJKSA-N 1 3 288.435 3.008 20 0 CGADHO c1ccc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)nc1 ZINC001275873770 808972429 /nfs/dbraw/zinc/97/24/29/808972429.db2.gz PKDDXVMISLGGKH-UHFFFAOYSA-N 1 3 299.462 3.312 20 0 CGADHO c1ccc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)nc1 ZINC001275873770 808972433 /nfs/dbraw/zinc/97/24/33/808972433.db2.gz PKDDXVMISLGGKH-UHFFFAOYSA-N 1 3 299.462 3.312 20 0 CGADHO Cc1cnccc1CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276255772 808997106 /nfs/dbraw/zinc/99/71/06/808997106.db2.gz DLCXYUKSNXUKKQ-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO Cc1cccc(CCN2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276739362 809028271 /nfs/dbraw/zinc/02/82/71/809028271.db2.gz ROMKGRLBNAHQQG-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCN2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276739362 809028279 /nfs/dbraw/zinc/02/82/79/809028279.db2.gz ROMKGRLBNAHQQG-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817672 809948288 /nfs/dbraw/zinc/94/82/88/809948288.db2.gz RHWREYAXVVBKSA-NUEKZKHPSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817672 809948295 /nfs/dbraw/zinc/94/82/95/809948295.db2.gz RHWREYAXVVBKSA-NUEKZKHPSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817672 809948298 /nfs/dbraw/zinc/94/82/98/809948298.db2.gz RHWREYAXVVBKSA-NUEKZKHPSA-N 1 3 286.444 3.331 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@H]2C1 ZINC001184388759 810196621 /nfs/dbraw/zinc/19/66/21/810196621.db2.gz SQXQSLGUWNLLSK-HPNWABTKSA-N 1 3 284.447 3.037 20 0 CGADHO CCCC[N@H+](C[C@@H](O)C1CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544778 811351602 /nfs/dbraw/zinc/35/16/02/811351602.db2.gz IJMVRDIPMAIDNC-MRXNPFEDSA-N 1 3 296.499 3.169 20 0 CGADHO CCCC[N@@H+](C[C@@H](O)C1CC1)C1CC(C)(C)NC(C)(C)C1 ZINC001196544778 811351612 /nfs/dbraw/zinc/35/16/12/811351612.db2.gz IJMVRDIPMAIDNC-MRXNPFEDSA-N 1 3 296.499 3.169 20 0 CGADHO CCC[C@H](C)CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001201552656 811900398 /nfs/dbraw/zinc/90/03/98/811900398.db2.gz PUHJFJLELZNBJX-AWEZNQCLSA-N 1 3 270.436 3.321 20 0 CGADHO CCC[C@H](C)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC001201552523 811900602 /nfs/dbraw/zinc/90/06/02/811900602.db2.gz DZWQDWQENNBJOZ-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO c1ccc(C[N@H+]2C[C@@H]3CCN(CC4CCC4)C[C@@H]3C2)cc1 ZINC001202775244 812171066 /nfs/dbraw/zinc/17/10/66/812171066.db2.gz AURLBNKVPZCGNG-RBUKOAKNSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2C[C@@H]3CCN(CC4CCC4)C[C@@H]3C2)cc1 ZINC001202775244 812171071 /nfs/dbraw/zinc/17/10/71/812171071.db2.gz AURLBNKVPZCGNG-RBUKOAKNSA-N 1 3 284.447 3.240 20 0 CGADHO CC[NH+]1C[C@H]2CN(Cc3cccc4ccccc43)C[C@@H]2C1 ZINC001203987634 812509515 /nfs/dbraw/zinc/50/95/15/812509515.db2.gz ACTRNSBIQIATAC-ROUUACIJSA-N 1 3 280.415 3.223 20 0 CGADHO Cn1ccnc1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204670797 812704221 /nfs/dbraw/zinc/70/42/21/812704221.db2.gz MFEIDQVNZNMDMS-UHFFFAOYSA-N 1 3 258.369 3.052 20 0 CGADHO CC(C)(O)CCCC1=CC[C@H](CN2CC[C@@](C)([NH3+])C2)CC1 ZINC001204764378 812728817 /nfs/dbraw/zinc/72/88/17/812728817.db2.gz YFTIDNLKGHNJLM-FUHWJXTLSA-N 1 3 294.483 3.077 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@](C)(N)C1 ZINC001204937368 812784750 /nfs/dbraw/zinc/78/47/50/812784750.db2.gz COFKETNTYDAGGP-WBVHZDCISA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@](C)(N)C1 ZINC001204937368 812784756 /nfs/dbraw/zinc/78/47/56/812784756.db2.gz COFKETNTYDAGGP-WBVHZDCISA-N 1 3 284.488 3.421 20 0 CGADHO Cc1cc(C)c(Cl)c(CN2CCC(C[NH3+])CC2)c1 ZINC001205053943 812841535 /nfs/dbraw/zinc/84/15/35/812841535.db2.gz WMPRTMOATWOVTF-UHFFFAOYSA-N 1 3 266.816 3.128 20 0 CGADHO CCn1ccc2ccc(CN3CC[C@@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205303623 812941905 /nfs/dbraw/zinc/94/19/05/812941905.db2.gz ISYKQICAVKUDSE-PBHICJAKSA-N 1 3 285.435 3.078 20 0 CGADHO Cc1csc(CN2CCC[C@@](F)(C[NH3+])CC2)c1Cl ZINC001205545406 812999915 /nfs/dbraw/zinc/99/99/15/812999915.db2.gz GPWDESGPEAOEOM-ZDUSSCGKSA-N 1 3 290.835 3.363 20 0 CGADHO C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205601356 813018139 /nfs/dbraw/zinc/01/81/39/813018139.db2.gz DTVFJGMQAREDPX-AAEUAGOBSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2cccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205616591 813025821 /nfs/dbraw/zinc/02/58/21/813025821.db2.gz GJCDLWAKGRDBBW-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205904519 813125881 /nfs/dbraw/zinc/12/58/81/813125881.db2.gz VSTXOYVAANXKOO-PBHICJAKSA-N 1 3 260.425 3.369 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCCC1CCCCC1 ZINC001205904742 813128260 /nfs/dbraw/zinc/12/82/60/813128260.db2.gz XCBYCVYGUIFEIL-HOCLYGCPSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCCC1CCCCC1 ZINC001205904742 813128262 /nfs/dbraw/zinc/12/82/62/813128262.db2.gz XCBYCVYGUIFEIL-HOCLYGCPSA-N 1 3 252.446 3.406 20 0 CGADHO N[C@@H]1CCCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922785 813133829 /nfs/dbraw/zinc/13/38/29/813133829.db2.gz ALZARNKHVGJLQJ-OAHLLOKOSA-N 1 3 266.816 3.086 20 0 CGADHO N[C@@H]1CCCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001205922785 813133836 /nfs/dbraw/zinc/13/38/36/813133836.db2.gz ALZARNKHVGJLQJ-OAHLLOKOSA-N 1 3 266.816 3.086 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923037 813135306 /nfs/dbraw/zinc/13/53/06/813135306.db2.gz GYDFSWVJZRQTHX-JKSUJKDBSA-N 1 3 290.451 3.341 20 0 CGADHO CCCCOc1cccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206163216 813219764 /nfs/dbraw/zinc/21/97/64/813219764.db2.gz ASGKQBZZZGFTAO-DLBZAZTESA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1cccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206163216 813219769 /nfs/dbraw/zinc/21/97/69/813219769.db2.gz ASGKQBZZZGFTAO-DLBZAZTESA-N 1 3 294.414 3.127 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1OC(C)C ZINC001206183724 813230437 /nfs/dbraw/zinc/23/04/37/813230437.db2.gz HADFOTBWPFDDPS-HZPDHXFCSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1OC(C)C ZINC001206183724 813230441 /nfs/dbraw/zinc/23/04/41/813230441.db2.gz HADFOTBWPFDDPS-HZPDHXFCSA-N 1 3 294.414 3.043 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2coc3ccccc23)C1 ZINC001206556639 813352520 /nfs/dbraw/zinc/35/25/20/813352520.db2.gz UNWYYNIZUMAZCD-KRWDZBQOSA-N 1 3 272.392 3.384 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606589 813372332 /nfs/dbraw/zinc/37/23/32/813372332.db2.gz QQXAYHPXTFHVMN-HZPDHXFCSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@H](CN)C1 ZINC001206606589 813372338 /nfs/dbraw/zinc/37/23/38/813372338.db2.gz QQXAYHPXTFHVMN-HZPDHXFCSA-N 1 3 252.446 3.430 20 0 CGADHO Cc1ccc2nc(CN3CCCC[C@H](C[NH3+])C3)ccc2c1 ZINC001206615881 813375942 /nfs/dbraw/zinc/37/59/42/813375942.db2.gz JMWTYVPMWBWEHJ-OAHLLOKOSA-N 1 3 283.419 3.104 20 0 CGADHO Cc1cc(CN2CCCC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC001206641579 813384302 /nfs/dbraw/zinc/38/43/02/813384302.db2.gz ZBMUZDUNSQEVDF-QGZVFWFLSA-N 1 3 290.451 3.343 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001206760835 813425464 /nfs/dbraw/zinc/42/54/64/813425464.db2.gz MQYKZHAHECVKLO-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760835 813425468 /nfs/dbraw/zinc/42/54/68/813425468.db2.gz MQYKZHAHECVKLO-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCc1ccc(Cl)cc1 ZINC001206760835 813425473 /nfs/dbraw/zinc/42/54/73/813425473.db2.gz MQYKZHAHECVKLO-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1CCCc1ccccc1Cl ZINC001206760477 813425523 /nfs/dbraw/zinc/42/55/23/813425523.db2.gz HHRDHBUZVUCFAD-ZIAGYGMSSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767452 813430717 /nfs/dbraw/zinc/43/07/17/813430717.db2.gz BPJMZVXHKMBOJJ-ZBFHGGJFSA-N 1 3 290.451 3.423 20 0 CGADHO CC(C)CN(Cc1ncccc1F)CC1CC[NH+](C)CC1 ZINC001207252419 813521705 /nfs/dbraw/zinc/52/17/05/813521705.db2.gz HXLCNVKJTQEBLZ-UHFFFAOYSA-N 1 3 293.430 3.021 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001207282073 813534067 /nfs/dbraw/zinc/53/40/67/813534067.db2.gz LPMXPVDLUAGVDM-UHFFFAOYSA-N 1 3 268.832 3.360 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001207282073 813534069 /nfs/dbraw/zinc/53/40/69/813534069.db2.gz LPMXPVDLUAGVDM-UHFFFAOYSA-N 1 3 268.832 3.360 20 0 CGADHO CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001207838141 813658116 /nfs/dbraw/zinc/65/81/16/813658116.db2.gz WIQITCZOEIIEMI-FLXSYLCISA-N 1 3 276.468 3.441 20 0 CGADHO CCCN(CCC[NH+](C)C)C[C@H](C)OCc1ccccc1 ZINC001208704546 813806859 /nfs/dbraw/zinc/80/68/59/813806859.db2.gz MZEAYBJCZMSRDM-KRWDZBQOSA-N 1 3 292.467 3.255 20 0 CGADHO c1ccc(CN2CC[C@H](C[NH+]3CCC4(CC4)CC3)C2)cc1 ZINC001208940160 813904762 /nfs/dbraw/zinc/90/47/62/813904762.db2.gz ANXSWNPSTRSACS-GOSISDBHSA-N 1 3 284.447 3.385 20 0 CGADHO c1ccc(C[N@H+]2CC[C@H](CN3CCC4(CC4)CC3)C2)cc1 ZINC001208940160 813904764 /nfs/dbraw/zinc/90/47/64/813904764.db2.gz ANXSWNPSTRSACS-GOSISDBHSA-N 1 3 284.447 3.385 20 0 CGADHO c1ccc(C[N@@H+]2CC[C@H](CN3CCC4(CC4)CC3)C2)cc1 ZINC001208940160 813904768 /nfs/dbraw/zinc/90/47/68/813904768.db2.gz ANXSWNPSTRSACS-GOSISDBHSA-N 1 3 284.447 3.385 20 0 CGADHO Cc1cc(N2CC[NH+](C[C@H]3C[C@H]3C)CC2)c2ccccc2n1 ZINC001209411704 814019358 /nfs/dbraw/zinc/01/93/58/814019358.db2.gz UFILEMCKAFMGON-GDBMZVCRSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434497 814034892 /nfs/dbraw/zinc/03/48/92/814034892.db2.gz YYBSQOJEAKQPAX-NXWXRZEISA-N 1 3 284.447 3.096 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209434497 814034894 /nfs/dbraw/zinc/03/48/94/814034894.db2.gz YYBSQOJEAKQPAX-NXWXRZEISA-N 1 3 284.447 3.096 20 0 CGADHO Cc1cc(C[C@@H](C)NC2=CC[C@H]([NH+]3CCCC3)CC2)on1 ZINC001210705820 814590135 /nfs/dbraw/zinc/59/01/35/814590135.db2.gz WYSRCSOZQYREMK-CJNGLKHVSA-N 1 3 289.423 3.036 20 0 CGADHO CCn1ccc2c1cccc2CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148703 816359223 /nfs/dbraw/zinc/35/92/23/816359223.db2.gz RETCNJXSMZBVNA-IBGZPJMESA-N 1 3 297.446 3.237 20 0 CGADHO c1ccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222161079 816365342 /nfs/dbraw/zinc/36/53/42/816365342.db2.gz KQBFBTNYMONLNJ-SFHVURJKSA-N 1 3 272.436 3.432 20 0 CGADHO Fc1ccc(CCCN2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222258898 816389430 /nfs/dbraw/zinc/38/94/30/816389430.db2.gz INDYTVQNKOFKHD-GOSISDBHSA-N 1 3 290.426 3.224 20 0 CGADHO Cc1c(F)cc(F)cc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222457461 816448774 /nfs/dbraw/zinc/44/87/74/816448774.db2.gz KXVNYAZOCIYYAS-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO CC(C)(C)Oc1ccccc1CN1CCC(F)(C[NH3+])CC1 ZINC001222548371 816464851 /nfs/dbraw/zinc/46/48/51/816464851.db2.gz IUJFUOAMTWOJLR-UHFFFAOYSA-N 1 3 294.414 3.127 20 0 CGADHO Cc1cc(C)c(C[NH+]2CCC3(CN(C)C3)CC2)cc1C ZINC001231485292 818109520 /nfs/dbraw/zinc/10/95/20/818109520.db2.gz JRKVQQQVQFYSSQ-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](C)CCC2CC2)c1 ZINC001232149306 818264620 /nfs/dbraw/zinc/26/46/20/818264620.db2.gz LVWCZROOSPCNNL-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)CCC2CC2)c1 ZINC001232149306 818264626 /nfs/dbraw/zinc/26/46/26/818264626.db2.gz LVWCZROOSPCNNL-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(Cc3cccc4c3CCCC4)C2)C1 ZINC001232639031 818409247 /nfs/dbraw/zinc/40/92/47/818409247.db2.gz RXAUVXFNPKQCRU-LJQANCHMSA-N 1 3 284.447 3.093 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(Cc3cccc4c3CCCC4)C2)C1 ZINC001232639031 818409251 /nfs/dbraw/zinc/40/92/51/818409251.db2.gz RXAUVXFNPKQCRU-LJQANCHMSA-N 1 3 284.447 3.093 20 0 CGADHO c1ccc(CCCCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234994912 818971409 /nfs/dbraw/zinc/97/14/09/818971409.db2.gz UELVFMJLCBYERL-SFHVURJKSA-N 1 3 272.436 3.085 20 0 CGADHO C[C@@H](CN1CCC2(C[NH2+]C2)C1)c1cccc2ccccc21 ZINC001235024515 818980741 /nfs/dbraw/zinc/98/07/41/818980741.db2.gz NFLFRTVECRGSCT-HNNXBMFYSA-N 1 3 280.415 3.239 20 0 CGADHO C[C@H](CCN1CC[C@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032576 818985220 /nfs/dbraw/zinc/98/52/20/818985220.db2.gz RGLBLOHHUJMGQF-ZBFHGGJFSA-N 1 3 252.446 3.134 20 0 CGADHO CCc1cccc2c(C[N@@H+]3CCCC34CCNCC4)c[nH]c21 ZINC001235140325 819015676 /nfs/dbraw/zinc/01/56/76/819015676.db2.gz JIOVBESOBNRPJT-UHFFFAOYSA-N 1 3 297.446 3.448 20 0 CGADHO CCc1cccc2c(C[N@H+]3CCCC34CCNCC4)c[nH]c21 ZINC001235140325 819015682 /nfs/dbraw/zinc/01/56/82/819015682.db2.gz JIOVBESOBNRPJT-UHFFFAOYSA-N 1 3 297.446 3.448 20 0 CGADHO Cc1cccc(C[N@@H+]2CCCCC23CCNCC3)c1C ZINC001235191067 819029308 /nfs/dbraw/zinc/02/93/08/819029308.db2.gz PFQRZXJJYJYCJM-UHFFFAOYSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1cccc(C[N@H+]2CCCCC23CCNCC3)c1C ZINC001235191067 819029310 /nfs/dbraw/zinc/02/93/10/819029310.db2.gz PFQRZXJJYJYCJM-UHFFFAOYSA-N 1 3 272.436 3.412 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209389 819036950 /nfs/dbraw/zinc/03/69/50/819036950.db2.gz NSTJYUIMPHQMMQ-XHSDSOJGSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209389 819036957 /nfs/dbraw/zinc/03/69/57/819036957.db2.gz NSTJYUIMPHQMMQ-XHSDSOJGSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235282786 819061047 /nfs/dbraw/zinc/06/10/47/819061047.db2.gz JIQDJXMARNSBFG-NKGKWGDASA-N 1 3 286.463 3.052 20 0 CGADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235282786 819061056 /nfs/dbraw/zinc/06/10/56/819061056.db2.gz JIQDJXMARNSBFG-NKGKWGDASA-N 1 3 286.463 3.052 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@H+](CC2CCC2)CC3)cc1 ZINC001235362810 819080254 /nfs/dbraw/zinc/08/02/54/819080254.db2.gz NVKCPVORPRLNPT-RTBURBONSA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362810 819080264 /nfs/dbraw/zinc/08/02/64/819080264.db2.gz NVKCPVORPRLNPT-RTBURBONSA-N 1 3 284.447 3.040 20 0 CGADHO COc1ccc(-c2cccc(CN(C)CCC[NH3+])c2)cc1 ZINC001235435233 819098706 /nfs/dbraw/zinc/09/87/06/819098706.db2.gz DLNRJYDWKVUTMW-UHFFFAOYSA-N 1 3 284.403 3.143 20 0 CGADHO CCOc1ccc(CN(C)CCC2CC[NH2+]CC2)c(F)c1 ZINC001235717810 819151336 /nfs/dbraw/zinc/15/13/36/819151336.db2.gz MTLBKZFDFBLHMQ-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC/C=C\CCCCCCN(C)C[C@H]1CC[NH2+]C1 ZINC001235841456 819183515 /nfs/dbraw/zinc/18/35/15/819183515.db2.gz GBAHZOBBGSBFHT-AWFCHZOYSA-N 1 3 252.446 3.444 20 0 CGADHO CC[C@H](N)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918721 819220026 /nfs/dbraw/zinc/22/00/26/819220026.db2.gz JPTSVKLZTXRSCC-JSGCOSHPSA-N 1 3 286.341 3.232 20 0 CGADHO CC[C@H](N)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001235918721 819220031 /nfs/dbraw/zinc/22/00/31/819220031.db2.gz JPTSVKLZTXRSCC-JSGCOSHPSA-N 1 3 286.341 3.232 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235925251 819225292 /nfs/dbraw/zinc/22/52/92/819225292.db2.gz MZAQMFNHMAGXRH-CWRNSKLLSA-N 1 3 278.827 3.257 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001235925251 819225297 /nfs/dbraw/zinc/22/52/97/819225297.db2.gz MZAQMFNHMAGXRH-CWRNSKLLSA-N 1 3 278.827 3.257 20 0 CGADHO c1ccc(-c2cccc(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)c2)cc1 ZINC001235938880 819233039 /nfs/dbraw/zinc/23/30/39/819233039.db2.gz MECHKJLAKXMLLQ-WOJBJXKFSA-N 1 3 292.426 3.395 20 0 CGADHO Fc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc12 ZINC001235942855 819233898 /nfs/dbraw/zinc/23/38/98/819233898.db2.gz YHKIQNIWMOUQKY-DZGCQCFKSA-N 1 3 284.378 3.020 20 0 CGADHO N[C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985855 819261212 /nfs/dbraw/zinc/26/12/12/819261212.db2.gz DFZZOMZTEYTJLW-MJGOQNOKSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985855 819261218 /nfs/dbraw/zinc/26/12/18/819261218.db2.gz DFZZOMZTEYTJLW-MJGOQNOKSA-N 1 3 296.389 3.416 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[NH+]1CCCNCCC1 ZINC001236240057 819399318 /nfs/dbraw/zinc/39/93/18/819399318.db2.gz LAFUWLQBATVSGR-INIZCTEOSA-N 1 3 284.488 3.293 20 0 CGADHO CCN(Cc1cccc(C(C)(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407493 819454258 /nfs/dbraw/zinc/45/42/58/819454258.db2.gz GFRFHUMZMVPWND-MRXNPFEDSA-N 1 3 274.452 3.416 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H](N)[C@@H]2C)c2ccccc12 ZINC001236420825 819466771 /nfs/dbraw/zinc/46/67/71/819466771.db2.gz OLOUDXJNLGMPJV-KSSFIOAISA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H](N)[C@@H]2C)c2ccccc12 ZINC001236420825 819466776 /nfs/dbraw/zinc/46/67/76/819466776.db2.gz OLOUDXJNLGMPJV-KSSFIOAISA-N 1 3 268.404 3.460 20 0 CGADHO CC(C)C[NH2+]Cc1ccc(-c2ccc3c(n2)CNCC3)cc1 ZINC001236428669 819474766 /nfs/dbraw/zinc/47/47/66/819474766.db2.gz SYWRWMOVCYZWNR-UHFFFAOYSA-N 1 3 295.430 3.140 20 0 CGADHO Cc1cccc(C)c1C[N@H+](C1CCC1)C1CCNCC1 ZINC001236634112 819557376 /nfs/dbraw/zinc/55/73/76/819557376.db2.gz RBBCKKCUJDARIB-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO Cc1cccc(C)c1C[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634112 819557380 /nfs/dbraw/zinc/55/73/80/819557380.db2.gz RBBCKKCUJDARIB-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO CCCN(Cc1cc(C)c(F)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236836556 819616425 /nfs/dbraw/zinc/61/64/25/819616425.db2.gz XJZQGPVPQLWLKV-HNNXBMFYSA-N 1 3 278.415 3.264 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237080230 819662027 /nfs/dbraw/zinc/66/20/27/819662027.db2.gz FWTGDTIZPPMJOW-SFHVURJKSA-N 1 3 274.452 3.446 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@H]4[C@H](C3)CCC[N@H+]4C)c12 ZINC001237636825 819795143 /nfs/dbraw/zinc/79/51/43/819795143.db2.gz QRSWIWRMWGXBNF-YJBOKZPZSA-N 1 3 295.430 3.069 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c12 ZINC001237636825 819795146 /nfs/dbraw/zinc/79/51/46/819795146.db2.gz QRSWIWRMWGXBNF-YJBOKZPZSA-N 1 3 295.430 3.069 20 0 CGADHO Cc1nc(CN(C)CC2CC[NH+](C(C)C)CC2)ccc1F ZINC001237818939 819850777 /nfs/dbraw/zinc/85/07/77/819850777.db2.gz YLOXJHZKDUSSTJ-UHFFFAOYSA-N 1 3 293.430 3.081 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001340375243 936403716 /nfs/dbraw/zinc/40/37/16/936403716.db2.gz HRAHWIFTHBQPPD-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001340375243 936403720 /nfs/dbraw/zinc/40/37/20/936403720.db2.gz HRAHWIFTHBQPPD-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO C[C@@H](COCC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001343265676 936493356 /nfs/dbraw/zinc/49/33/56/936493356.db2.gz GYEMXDKSMKSACA-MIGBEJBISA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](COCC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001343265676 936493357 /nfs/dbraw/zinc/49/33/57/936493357.db2.gz GYEMXDKSMKSACA-MIGBEJBISA-N 1 3 294.483 3.187 20 0 CGADHO CC[NH+](CC)CCCN1CC(C)(C)CC(C)(C)C1 ZINC001459900915 937505707 /nfs/dbraw/zinc/50/57/07/937505707.db2.gz YZEPUMXXGCLVHU-UHFFFAOYSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H]1CCC[C@@H](C)C1 ZINC001460254641 937522958 /nfs/dbraw/zinc/52/29/58/937522958.db2.gz SOEMLMCSPQNERV-QXSJWSMHSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](COCC1CCCCC1)[NH2+]CC[C@@H]1CCCN1C ZINC001308092084 933047846 /nfs/dbraw/zinc/04/78/46/933047846.db2.gz FFLNPCPRTFLMBU-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](COCC1CCCCC1)NCC[C@@H]1CCC[N@@H+]1C ZINC001308092084 933047851 /nfs/dbraw/zinc/04/78/51/933047851.db2.gz FFLNPCPRTFLMBU-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](COCC1CCCCC1)NCC[C@@H]1CCC[N@H+]1C ZINC001308092084 933047858 /nfs/dbraw/zinc/04/78/58/933047858.db2.gz FFLNPCPRTFLMBU-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H]1C[C@H](C[NH2+]CC[C@H](C)N2CCCCC2)CCO1 ZINC001308365818 933101788 /nfs/dbraw/zinc/10/17/88/933101788.db2.gz HQKDNSQZFCMISJ-GVDBMIGSSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001308987701 933222480 /nfs/dbraw/zinc/22/24/80/933222480.db2.gz LRBUUKQDJPZSRN-HPUBIQBYSA-N 1 3 282.472 3.044 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2sc(C)nc2C)C1 ZINC001319190501 933839086 /nfs/dbraw/zinc/83/90/86/933839086.db2.gz QHLUEQCBTWKGAE-BXUZGUMPSA-N 1 3 281.469 3.142 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294238 933854286 /nfs/dbraw/zinc/85/42/86/933854286.db2.gz PPKINIWNRAJTTA-XWIAVFTESA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294238 933854292 /nfs/dbraw/zinc/85/42/92/933854292.db2.gz PPKINIWNRAJTTA-XWIAVFTESA-N 1 3 288.410 3.229 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNc2c(C)cnc3ccccc32)C1 ZINC001319798795 933932324 /nfs/dbraw/zinc/93/23/24/933932324.db2.gz MSJLTHZZZDMWKA-HNNXBMFYSA-N 1 3 283.419 3.109 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNc2c(C)cnc3ccccc32)C1 ZINC001319798795 933932328 /nfs/dbraw/zinc/93/23/28/933932328.db2.gz MSJLTHZZZDMWKA-HNNXBMFYSA-N 1 3 283.419 3.109 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2(C)CC2)CC1 ZINC001320094806 934000160 /nfs/dbraw/zinc/00/01/60/934000160.db2.gz MSHFJXKALZRHHN-HIFRSBDPSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2(C)CC2)CC1 ZINC001320094806 934000162 /nfs/dbraw/zinc/00/01/62/934000162.db2.gz MSHFJXKALZRHHN-HIFRSBDPSA-N 1 3 250.430 3.172 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407009 934497841 /nfs/dbraw/zinc/49/78/41/934497841.db2.gz HQKNXLIPVPFJIQ-ZBFHGGJFSA-N 1 3 292.471 3.155 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC001324444633 934504840 /nfs/dbraw/zinc/50/48/40/934504840.db2.gz XACGJQZPPBDSGH-FUHWJXTLSA-N 1 3 274.452 3.246 20 0 CGADHO C[C@H](C[C@@H](O)c1cccs1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001328764597 935167898 /nfs/dbraw/zinc/16/78/98/935167898.db2.gz OMJOAERUURJCCX-HZSPNIEDSA-N 1 3 296.480 3.023 20 0 CGADHO C[C@H](C[C@@H](O)c1cccs1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764597 935167901 /nfs/dbraw/zinc/16/79/01/935167901.db2.gz OMJOAERUURJCCX-HZSPNIEDSA-N 1 3 296.480 3.023 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC001329564108 935228568 /nfs/dbraw/zinc/22/85/68/935228568.db2.gz DUSHWQSWRUNLTD-OLZOCXBDSA-N 1 3 297.393 3.402 20 0 CGADHO CCCN(CC[NH+]1CCCCCC1)c1ccncc1 ZINC001336397064 936191608 /nfs/dbraw/zinc/19/16/08/936191608.db2.gz ZOONTRZFWJCFMK-UHFFFAOYSA-N 1 3 261.413 3.174 20 0 CGADHO CCc1ccccc1CC[NH+]1CCC(C)(N2CCC2)CC1 ZINC001473746297 937820189 /nfs/dbraw/zinc/82/01/89/937820189.db2.gz GEUPXOTWTTUAEV-UHFFFAOYSA-N 1 3 286.463 3.352 20 0 CGADHO C[N@@H+]1C[C@@H]2CN(Cc3cccc4ccccc43)C[C@]2(C)C1 ZINC001473842100 937824340 /nfs/dbraw/zinc/82/43/40/937824340.db2.gz JDUZYYSJGCWAEQ-MJGOQNOKSA-N 1 3 280.415 3.223 20 0 CGADHO C[N@H+]1C[C@@H]2CN(Cc3cccc4ccccc43)C[C@]2(C)C1 ZINC001473842100 937824342 /nfs/dbraw/zinc/82/43/42/937824342.db2.gz JDUZYYSJGCWAEQ-MJGOQNOKSA-N 1 3 280.415 3.223 20 0 CGADHO Cc1occc1C[N@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001474647321 937872715 /nfs/dbraw/zinc/87/27/15/937872715.db2.gz NEDGNFOJQQITRR-CJNGLKHVSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1occc1C[N@@H+]1CCCC[C@H]1[C@H](C)CN(C)C ZINC001474647321 937872716 /nfs/dbraw/zinc/87/27/16/937872716.db2.gz NEDGNFOJQQITRR-CJNGLKHVSA-N 1 3 264.413 3.140 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CCN1 ZINC001549042188 938154565 /nfs/dbraw/zinc/15/45/65/938154565.db2.gz XBLBDGWJVASZCX-BZZMCLGOSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H](N[C@@H]1[C@H](c2ccccc2)C1(C)C)[C@@H]1CCC[NH2+]C1 ZINC001549711906 938158807 /nfs/dbraw/zinc/15/88/07/938158807.db2.gz YECZYNIDZPZGGY-PQEBFOHHSA-N 1 3 272.436 3.156 20 0 CGADHO c1cc2c(cccc2C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC001550351764 938166263 /nfs/dbraw/zinc/16/62/63/938166263.db2.gz CJVFTTWREXVWQQ-OAHLLOKOSA-N 1 3 297.446 3.347 20 0 CGADHO C1[C@H]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC001550475020 938166770 /nfs/dbraw/zinc/16/67/70/938166770.db2.gz PJHSDKRTGFITOQ-ZKXLYKBJSA-N 1 3 276.468 3.323 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@H]2CC[N@H+](C)C[C@@H]2C1 ZINC001550540378 938167490 /nfs/dbraw/zinc/16/74/90/938167490.db2.gz CJZYXKXWYVHFES-BFYDXBDKSA-N 1 3 276.399 3.160 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC001550540378 938167491 /nfs/dbraw/zinc/16/74/91/938167491.db2.gz CJZYXKXWYVHFES-BFYDXBDKSA-N 1 3 276.399 3.160 20 0 CGADHO Cc1nocc1[C@@H](C)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001550955642 938173261 /nfs/dbraw/zinc/17/32/61/938173261.db2.gz YFYLEAXECAIGKA-BZOOQXSSSA-N 1 3 291.439 3.431 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238074 938178423 /nfs/dbraw/zinc/17/84/23/938178423.db2.gz ILXAXPBGSWKLJG-NALMEZQBSA-N 1 3 294.483 3.188 20 0 CGADHO c1coc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC001551377578 938180333 /nfs/dbraw/zinc/18/03/33/938180333.db2.gz GEJDAALFGJGYGI-QBPKDAKJSA-N 1 3 288.435 3.141 20 0 CGADHO C(C[N@@H+]1CC[C@H](CN2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547128 938229238 /nfs/dbraw/zinc/22/92/38/938229238.db2.gz OJXVSMSYRHKBJC-NXHRZFHOSA-N 1 3 276.468 3.230 20 0 CGADHO C(C[N@H+]1CC[C@H](CN2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547128 938229239 /nfs/dbraw/zinc/22/92/39/938229239.db2.gz OJXVSMSYRHKBJC-NXHRZFHOSA-N 1 3 276.468 3.230 20 0 CGADHO C(CN1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001559547128 938229240 /nfs/dbraw/zinc/22/92/40/938229240.db2.gz OJXVSMSYRHKBJC-NXHRZFHOSA-N 1 3 276.468 3.230 20 0 CGADHO CC(C)C(C[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1)C(C)C ZINC001575428891 962380832 /nfs/dbraw/zinc/38/08/32/962380832.db2.gz OWOIKNQYZSKBCN-NVXWUHKLSA-N 1 3 266.473 3.366 20 0 CGADHO CC(C)C(C[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1)C(C)C ZINC001575428891 962380851 /nfs/dbraw/zinc/38/08/51/962380851.db2.gz OWOIKNQYZSKBCN-NVXWUHKLSA-N 1 3 266.473 3.366 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC001575940979 962414450 /nfs/dbraw/zinc/41/44/50/962414450.db2.gz GBHGKTUMSDEDFI-KBUPBQIOSA-N 1 3 294.464 3.088 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCC(=O)OC(C)(C)C ZINC001575934391 962420981 /nfs/dbraw/zinc/42/09/81/962420981.db2.gz PMHXBGKMCOISON-CABCVRRESA-N 1 3 298.471 3.009 20 0 CGADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CCCC[C@@H]1CCN ZINC001576435228 962460362 /nfs/dbraw/zinc/46/03/62/962460362.db2.gz SQYCHPNWEIONHF-HUUCEWRRSA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1CCN ZINC001576435228 962460371 /nfs/dbraw/zinc/46/03/71/962460371.db2.gz SQYCHPNWEIONHF-HUUCEWRRSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@]1(CN2CCCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502637 962466886 /nfs/dbraw/zinc/46/68/86/962466886.db2.gz DNGIJYBMPIYSDJ-MSOLQXFVSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(C[NH3+])c1 ZINC001576584045 962473459 /nfs/dbraw/zinc/47/34/59/962473459.db2.gz SRTBVCOSQRHDEF-BXUZGUMPSA-N 1 3 286.341 3.308 20 0 CGADHO CCC(CC)(C[NH3+])CN1C[C@H](C)OC2(CCCCC2)C1 ZINC001577051559 962511121 /nfs/dbraw/zinc/51/11/21/962511121.db2.gz VMXHMWLMUQTSQQ-HNNXBMFYSA-N 1 3 282.472 3.175 20 0 CGADHO CSCCCCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC001579371732 962622542 /nfs/dbraw/zinc/62/25/42/962622542.db2.gz SZADFVBNNLCZEH-UHFFFAOYSA-N 1 3 284.494 3.017 20 0 CGADHO C[C@]1(C[N@@H+]2CCCC[C@@H]2CCN)C[C@@H]1c1ccccc1 ZINC001579509272 962628940 /nfs/dbraw/zinc/62/89/40/962628940.db2.gz DAIMZYWBICQRBP-KZNAEPCWSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@]1(C[N@H+]2CCCC[C@@H]2CCN)C[C@@H]1c1ccccc1 ZINC001579509272 962628954 /nfs/dbraw/zinc/62/89/54/962628954.db2.gz DAIMZYWBICQRBP-KZNAEPCWSA-N 1 3 272.436 3.384 20 0 CGADHO Cc1ccc(CC[N@@H+]2C[C@H]3CCCC[C@]3(CN)C2)cc1C ZINC001579688171 962654997 /nfs/dbraw/zinc/65/49/97/962654997.db2.gz UKSIMFUORCJSKL-MOPGFXCFSA-N 1 3 286.463 3.297 20 0 CGADHO Cc1ccc(CC[N@H+]2C[C@H]3CCCC[C@]3(CN)C2)cc1C ZINC001579688171 962655010 /nfs/dbraw/zinc/65/50/10/962655010.db2.gz UKSIMFUORCJSKL-MOPGFXCFSA-N 1 3 286.463 3.297 20 0 CGADHO Cc1ccc([C@H](C)N(C)CCC2([NH3+])CCOCC2)c(C)c1 ZINC001579667781 962657367 /nfs/dbraw/zinc/65/73/67/962657367.db2.gz RUXGLPKBUQESDS-INIZCTEOSA-N 1 3 290.451 3.194 20 0 CGADHO Cc1scc(CNCC[C@H]([NH3+])Cc2ccccc2)c1C ZINC001579937586 962677499 /nfs/dbraw/zinc/67/74/99/962677499.db2.gz ZBIYZINKRKWTFL-KRWDZBQOSA-N 1 3 288.460 3.415 20 0 CGADHO NC[C@]12C[N@H+](Cc3ccc4ncccc4c3)C[C@H]1CCCC2 ZINC001580254196 962703686 /nfs/dbraw/zinc/70/36/86/962703686.db2.gz ARYZLQHLDQMWFJ-IEBWSBKVSA-N 1 3 295.430 3.186 20 0 CGADHO NC[C@]12C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]1CCCC2 ZINC001580254196 962703696 /nfs/dbraw/zinc/70/36/96/962703696.db2.gz ARYZLQHLDQMWFJ-IEBWSBKVSA-N 1 3 295.430 3.186 20 0 CGADHO [NH3+]CCCN(C[C@H]1CC1(Cl)Cl)CC1CCCC1 ZINC001580297458 962713958 /nfs/dbraw/zinc/71/39/58/962713958.db2.gz STCNIRSQBBBOQY-GFCCVEGCSA-N 1 3 279.255 3.021 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(CC)C2)s1 ZINC000621329886 349497342 /nfs/dbraw/zinc/49/73/42/349497342.db2.gz RRKWJXGOOASGFL-ZDUSSCGKSA-N 1 3 266.454 3.132 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000651706242 398272618 /nfs/dbraw/zinc/27/26/18/398272618.db2.gz XYWBWFFDKBFPIA-HZPDHXFCSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000651706242 398272619 /nfs/dbraw/zinc/27/26/19/398272619.db2.gz XYWBWFFDKBFPIA-HZPDHXFCSA-N 1 3 284.488 3.148 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000651706242 398272620 /nfs/dbraw/zinc/27/26/20/398272620.db2.gz XYWBWFFDKBFPIA-HZPDHXFCSA-N 1 3 284.488 3.148 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000125475865 187186925 /nfs/dbraw/zinc/18/69/25/187186925.db2.gz ZBDZEKCTMLIRNE-CYBMUJFWSA-N 1 3 274.433 3.285 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000125475865 187186926 /nfs/dbraw/zinc/18/69/26/187186926.db2.gz ZBDZEKCTMLIRNE-CYBMUJFWSA-N 1 3 274.433 3.285 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651911019 398305165 /nfs/dbraw/zinc/30/51/65/398305165.db2.gz XUFFAHRVGVEEIG-MXSMSXNCSA-N 1 3 270.420 3.067 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911019 398305168 /nfs/dbraw/zinc/30/51/68/398305168.db2.gz XUFFAHRVGVEEIG-MXSMSXNCSA-N 1 3 270.420 3.067 20 0 CGADHO CC[C@H](F)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000440784225 529436372 /nfs/dbraw/zinc/43/63/72/529436372.db2.gz MLLSTHSHPOPZMB-INIZCTEOSA-N 1 3 270.436 3.323 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142530 192056576 /nfs/dbraw/zinc/05/65/76/192056576.db2.gz FHEAETDQJVKMCW-HZPDHXFCSA-N 1 3 290.451 3.304 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142530 192056578 /nfs/dbraw/zinc/05/65/78/192056578.db2.gz FHEAETDQJVKMCW-HZPDHXFCSA-N 1 3 290.451 3.304 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142530 192056579 /nfs/dbraw/zinc/05/65/79/192056579.db2.gz FHEAETDQJVKMCW-HZPDHXFCSA-N 1 3 290.451 3.304 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000423477352 529569039 /nfs/dbraw/zinc/56/90/39/529569039.db2.gz TVAOZWFWNGKCBF-CZUORRHYSA-N 1 3 260.381 3.457 20 0 CGADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000418104193 529585791 /nfs/dbraw/zinc/58/57/91/529585791.db2.gz KAHUVIRMEUIACO-IRXDYDNUSA-N 1 3 287.451 3.465 20 0 CGADHO CCc1cccnc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414184660 529622098 /nfs/dbraw/zinc/62/20/98/529622098.db2.gz OBSAXFJNEPXOMC-HUUCEWRRSA-N 1 3 275.440 3.027 20 0 CGADHO CCc1cccnc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414184660 529622100 /nfs/dbraw/zinc/62/21/00/529622100.db2.gz OBSAXFJNEPXOMC-HUUCEWRRSA-N 1 3 275.440 3.027 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000423408281 529671495 /nfs/dbraw/zinc/67/14/95/529671495.db2.gz XEMGOKKWVNXIED-CQDKDKBSSA-N 1 3 298.377 3.327 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273156719 192059998 /nfs/dbraw/zinc/05/99/98/192059998.db2.gz JIKHNPNEAHTSLR-OAHLLOKOSA-N 1 3 290.451 3.447 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000093210066 290049359 /nfs/dbraw/zinc/04/93/59/290049359.db2.gz MDNCYCABCKXXLX-BPNCWPANSA-N 1 3 252.789 3.261 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)s1 ZINC000423378625 529722219 /nfs/dbraw/zinc/72/22/19/529722219.db2.gz MIIQHGUHMRPEQF-SDDRHHMPSA-N 1 3 252.427 3.102 20 0 CGADHO CCN(CC)CCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000351408250 219095197 /nfs/dbraw/zinc/09/51/97/219095197.db2.gz HBTHIDOWJBADCK-KRWDZBQOSA-N 1 3 282.472 3.142 20 0 CGADHO CCN(CC)CCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000351408250 219095198 /nfs/dbraw/zinc/09/51/98/219095198.db2.gz HBTHIDOWJBADCK-KRWDZBQOSA-N 1 3 282.472 3.142 20 0 CGADHO CC[NH+](CC)CCCN(C[C@@H]1CCCO1)C1CCCC1 ZINC000351408250 219095201 /nfs/dbraw/zinc/09/52/01/219095201.db2.gz HBTHIDOWJBADCK-KRWDZBQOSA-N 1 3 282.472 3.142 20 0 CGADHO CCSc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)ccn1 ZINC000623497079 349821047 /nfs/dbraw/zinc/82/10/47/349821047.db2.gz WDQKEQJWASUHAV-CQSZACIVSA-N 1 3 293.480 3.156 20 0 CGADHO CC[C@H](CC(F)(F)F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492880 349819955 /nfs/dbraw/zinc/81/99/55/349819955.db2.gz MYIUIKZZGDXLHX-MNOVXSKESA-N 1 3 266.351 3.180 20 0 CGADHO CC[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492880 349819957 /nfs/dbraw/zinc/81/99/57/349819957.db2.gz MYIUIKZZGDXLHX-MNOVXSKESA-N 1 3 266.351 3.180 20 0 CGADHO CC(C)C(C[NH2+]C[C@H]1CCCCN(C)C1)C(C)C ZINC000623657536 349859725 /nfs/dbraw/zinc/85/97/25/349859725.db2.gz TYHJQRFFIKUEJY-OAHLLOKOSA-N 1 3 254.462 3.236 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000623654564 349856251 /nfs/dbraw/zinc/85/62/51/349856251.db2.gz COORDLRYRQBYJL-AWEZNQCLSA-N 1 3 266.816 3.162 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000623655038 349857224 /nfs/dbraw/zinc/85/72/24/349857224.db2.gz MSIFLHIWPAURID-AWEZNQCLSA-N 1 3 266.816 3.162 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@H]1C ZINC000623657209 349858038 /nfs/dbraw/zinc/85/80/38/349858038.db2.gz LGZICMFVYKNUHJ-FPCVCCKLSA-N 1 3 252.446 3.133 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000423282721 529999494 /nfs/dbraw/zinc/99/94/94/529999494.db2.gz WUNIJRHTLPEBTI-SWLSCSKDSA-N 1 3 268.832 3.482 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)c1cccc2ccccc21 ZINC000423279698 529999655 /nfs/dbraw/zinc/99/96/55/529999655.db2.gz SUNBMZVWSNODCT-UONOGXRCSA-N 1 3 256.393 3.346 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000423273688 530000115 /nfs/dbraw/zinc/00/01/15/530000115.db2.gz LIAKHHYXLQSEKZ-LRDDRELGSA-N 1 3 260.425 3.126 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040622195 344964148 /nfs/dbraw/zinc/96/41/48/344964148.db2.gz FDFFPLXVIIHZTI-CVEARBPZSA-N 1 3 260.425 3.110 20 0 CGADHO Cc1cccc([C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000075766442 232176255 /nfs/dbraw/zinc/17/62/55/232176255.db2.gz ICZMDLXGUOHABO-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO Cc1cccc([C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000075766442 232176257 /nfs/dbraw/zinc/17/62/57/232176257.db2.gz ICZMDLXGUOHABO-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081630101 345716414 /nfs/dbraw/zinc/71/64/14/345716414.db2.gz DMHIREVKWLFHPC-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000081630101 345716416 /nfs/dbraw/zinc/71/64/16/345716416.db2.gz DMHIREVKWLFHPC-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1cccnc1 ZINC000091333259 345810507 /nfs/dbraw/zinc/81/05/07/345810507.db2.gz WWAKIAWKINDWBG-SJLPKXTDSA-N 1 3 289.467 3.489 20 0 CGADHO CC1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000093116634 345870918 /nfs/dbraw/zinc/87/09/18/345870918.db2.gz SDEPXFHVNHNQAK-UHFFFAOYSA-N 1 3 287.451 3.466 20 0 CGADHO CSc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093212215 345872725 /nfs/dbraw/zinc/87/27/25/345872725.db2.gz GGXUGXYDTGTVSD-KWCYVHTRSA-N 1 3 264.438 3.329 20 0 CGADHO CCCOc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000110645430 345946212 /nfs/dbraw/zinc/94/62/12/345946212.db2.gz PSIFPDOSDKHWEF-CQSZACIVSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@@H]1C ZINC000132668741 346073119 /nfs/dbraw/zinc/07/31/19/346073119.db2.gz DYQIWAYNOSOMIZ-COAGQGPPSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@@H]1C ZINC000132668741 346073120 /nfs/dbraw/zinc/07/31/20/346073120.db2.gz DYQIWAYNOSOMIZ-COAGQGPPSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C/C=C/CN1CCCC[C@@H]1C ZINC000132668741 346073121 /nfs/dbraw/zinc/07/31/21/346073121.db2.gz DYQIWAYNOSOMIZ-COAGQGPPSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C/C=C/CN1CCCC[C@@H]1C ZINC000132668741 346073122 /nfs/dbraw/zinc/07/31/22/346073122.db2.gz DYQIWAYNOSOMIZ-COAGQGPPSA-N 1 3 250.430 3.291 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000174206986 346239239 /nfs/dbraw/zinc/23/92/39/346239239.db2.gz FXNRNJCWQTZMCW-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000174206986 346239242 /nfs/dbraw/zinc/23/92/42/346239242.db2.gz FXNRNJCWQTZMCW-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC[C@@H](C)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248374586 346375554 /nfs/dbraw/zinc/37/55/54/346375554.db2.gz RQSNDNGVOCDJAJ-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO COc1cccc2c1CCC[C@@H]2NC[C@H]1CCC[N@H+](C)C1 ZINC000249554934 346382406 /nfs/dbraw/zinc/38/24/06/346382406.db2.gz LSAXQBBSVRMZHP-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO COc1cccc2c1CCC[C@@H]2NC[C@H]1CCC[N@@H+](C)C1 ZINC000249554934 346382408 /nfs/dbraw/zinc/38/24/08/346382408.db2.gz LSAXQBBSVRMZHP-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(F)c1 ZINC000624119538 349975320 /nfs/dbraw/zinc/97/53/20/349975320.db2.gz DSJKGUJBHGBRQN-KBPBESRZSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)c(F)c1 ZINC000624119605 349975622 /nfs/dbraw/zinc/97/56/22/349975622.db2.gz FWMFLGRGRGZTIK-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119430 349975868 /nfs/dbraw/zinc/97/58/68/349975868.db2.gz BCFITTDXJRJYSF-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCSC1(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000596652882 347498426 /nfs/dbraw/zinc/49/84/26/347498426.db2.gz QFRBVSLMPHRNAU-KGLIPLIRSA-N 1 3 262.422 3.007 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000351863943 219229446 /nfs/dbraw/zinc/22/94/46/219229446.db2.gz VWVWURQEEPAOMI-YJBOKZPZSA-N 1 3 298.430 3.278 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120467 349976720 /nfs/dbraw/zinc/97/67/20/349976720.db2.gz ZXRLUKXBYIFFBN-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC2 ZINC000624120643 349976759 /nfs/dbraw/zinc/97/67/59/349976759.db2.gz DDOREPXJCYBIKI-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624120098 349977354 /nfs/dbraw/zinc/97/73/54/349977354.db2.gz RGHIRDAEJSNEDH-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120953 349979018 /nfs/dbraw/zinc/97/90/18/349979018.db2.gz KQBYRZFKEQABIZ-KGLIPLIRSA-N 1 3 266.454 3.001 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120984 349977992 /nfs/dbraw/zinc/97/79/92/349977992.db2.gz LGUIHJUJKZGMNS-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120984 349977993 /nfs/dbraw/zinc/97/79/93/349977993.db2.gz LGUIHJUJKZGMNS-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000624123146 349981319 /nfs/dbraw/zinc/98/13/19/349981319.db2.gz GNHOMJQOENPFAN-JKSUJKDBSA-N 1 3 264.457 3.421 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000624122073 349980489 /nfs/dbraw/zinc/98/04/89/349980489.db2.gz JESBQDSLNDQZDR-FAEJEUNOSA-N 1 3 272.436 3.254 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000624122496 349981934 /nfs/dbraw/zinc/98/19/34/349981934.db2.gz SRLMNRKFRBHTBA-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000624122496 349981937 /nfs/dbraw/zinc/98/19/37/349981937.db2.gz SRLMNRKFRBHTBA-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000624122496 349981939 /nfs/dbraw/zinc/98/19/39/349981939.db2.gz SRLMNRKFRBHTBA-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCCC1 ZINC000624123177 349982301 /nfs/dbraw/zinc/98/23/01/349982301.db2.gz HFSOYBSKCQEZOX-HOCLYGCPSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@H]([C@@H](C)N)C1)c1ccccc1 ZINC000339408238 215151476 /nfs/dbraw/zinc/15/14/76/215151476.db2.gz WJPZFUBVCSQVHK-PVAVHDDUSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@H]([C@@H](C)N)C1)c1ccccc1 ZINC000339408238 215151480 /nfs/dbraw/zinc/15/14/80/215151480.db2.gz WJPZFUBVCSQVHK-PVAVHDDUSA-N 1 3 260.425 3.095 20 0 CGADHO CCc1ccc(CCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901177 348205573 /nfs/dbraw/zinc/20/55/73/348205573.db2.gz KFHVROBCOYDNDR-IBGZPJMESA-N 1 3 286.463 3.209 20 0 CGADHO CCCc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000608061449 348280739 /nfs/dbraw/zinc/28/07/39/348280739.db2.gz CISJOXBPRQTYEN-WMLDXEAASA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000608061449 348280741 /nfs/dbraw/zinc/28/07/41/348280741.db2.gz CISJOXBPRQTYEN-WMLDXEAASA-N 1 3 260.425 3.211 20 0 CGADHO C/C=C\CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000624198885 349999613 /nfs/dbraw/zinc/99/96/13/349999613.db2.gz AWGXFNRBAGSVSL-MJSXRHKHSA-N 1 3 272.436 3.248 20 0 CGADHO C/C=C/CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624198751 349999893 /nfs/dbraw/zinc/99/98/93/349999893.db2.gz XAUYOBMTRPPEFA-NGVREJPNSA-N 1 3 270.420 3.348 20 0 CGADHO C/C=C/CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198751 349999896 /nfs/dbraw/zinc/99/98/96/349999896.db2.gz XAUYOBMTRPPEFA-NGVREJPNSA-N 1 3 270.420 3.348 20 0 CGADHO CCO[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000625318630 350157995 /nfs/dbraw/zinc/15/79/95/350157995.db2.gz FTCKQPFTYQCALJ-UWWQBHOKSA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000625318630 350157996 /nfs/dbraw/zinc/15/79/96/350157996.db2.gz FTCKQPFTYQCALJ-UWWQBHOKSA-N 1 3 294.483 3.044 20 0 CGADHO CCO[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000625318630 350157998 /nfs/dbraw/zinc/15/79/98/350157998.db2.gz FTCKQPFTYQCALJ-UWWQBHOKSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCC1 ZINC000359616589 233344806 /nfs/dbraw/zinc/34/48/06/233344806.db2.gz GXBWYWPZSXLSRK-QGZVFWFLSA-N 1 3 258.409 3.058 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351283 191089934 /nfs/dbraw/zinc/08/99/34/191089934.db2.gz YMFNRQSKFKPSKE-RDJZCZTQSA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000271351283 191089937 /nfs/dbraw/zinc/08/99/37/191089937.db2.gz YMFNRQSKFKPSKE-RDJZCZTQSA-N 1 3 276.399 3.099 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(C)o2)CC1 ZINC000628236583 350457156 /nfs/dbraw/zinc/45/71/56/350457156.db2.gz IDKVGMBGHGDENJ-UHFFFAOYSA-N 1 3 293.455 3.317 20 0 CGADHO Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000628278471 350475404 /nfs/dbraw/zinc/47/54/04/350475404.db2.gz RMSAIYUALSWSPR-IRXDYDNUSA-N 1 3 274.452 3.418 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000628425137 350535928 /nfs/dbraw/zinc/53/59/28/350535928.db2.gz BJIMKRBYLVFIDB-IAGOWNOFSA-N 1 3 274.452 3.420 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000629531195 350703734 /nfs/dbraw/zinc/70/37/34/350703734.db2.gz CZQCAKZGKCBXDB-TVFCKZIOSA-N 1 3 296.499 3.338 20 0 CGADHO Cc1ccc2ncc(CN3CCC[C@@H](C)[C@@H]3CC[NH3+])cc2c1 ZINC000629537811 350705821 /nfs/dbraw/zinc/70/58/21/350705821.db2.gz LSQIGFKMPIUOCJ-BEFAXECRSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000629540486 350707503 /nfs/dbraw/zinc/70/75/03/350707503.db2.gz UYRAUTAXHOVFPX-RDTXWAMCSA-N 1 3 289.467 3.463 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629549789 350710783 /nfs/dbraw/zinc/71/07/83/350710783.db2.gz ICTIVQXGPSMKPA-ROUUACIJSA-N 1 3 295.430 3.356 20 0 CGADHO C[C@@H](CCCC[NH3+])NC1(c2c(F)cccc2F)CCC1 ZINC000629555766 350712610 /nfs/dbraw/zinc/71/26/10/350712610.db2.gz CSZVGSCLEUMUQT-LBPRGKRZSA-N 1 3 282.378 3.451 20 0 CGADHO Cc1ccc2ncc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2c1 ZINC000629518909 350700723 /nfs/dbraw/zinc/70/07/23/350700723.db2.gz MSXJRXSACWVUFX-RYQLBKOJSA-N 1 3 295.430 3.102 20 0 CGADHO C[N@@H+]1CC[C@@H](NCc2cccc3[nH]ccc32)CC1(C)C ZINC000631306545 351021180 /nfs/dbraw/zinc/02/11/80/351021180.db2.gz HUPLBYLTSLFCRM-CQSZACIVSA-N 1 3 271.408 3.130 20 0 CGADHO C[N@H+]1CC[C@@H](NCc2cccc3[nH]ccc32)CC1(C)C ZINC000631306545 351021185 /nfs/dbraw/zinc/02/11/85/351021185.db2.gz HUPLBYLTSLFCRM-CQSZACIVSA-N 1 3 271.408 3.130 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000631666792 351111404 /nfs/dbraw/zinc/11/14/04/351111404.db2.gz HYEAJVKQBWAUEA-NUJGCVRESA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000631666792 351111408 /nfs/dbraw/zinc/11/14/08/351111408.db2.gz HYEAJVKQBWAUEA-NUJGCVRESA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CCOC(C)(C)C1)C(C)C ZINC000634679989 351565731 /nfs/dbraw/zinc/56/57/31/351565731.db2.gz IMWXLXYKNCQNRM-OAHLLOKOSA-N 1 3 270.461 3.043 20 0 CGADHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635006305 351624677 /nfs/dbraw/zinc/62/46/77/351624677.db2.gz LJYYYOMDCGYLGA-WLWJZTKJSA-N 1 3 299.462 3.096 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008385 351626361 /nfs/dbraw/zinc/62/63/61/351626361.db2.gz DGIDKLMTPWTEBD-QWHCGFSZSA-N 1 3 266.454 3.485 20 0 CGADHO Cc1cccc2c1CC[C@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635010433 351628412 /nfs/dbraw/zinc/62/84/12/351628412.db2.gz KWJROECTQIPKQM-HXUWFJFHSA-N 1 3 292.426 3.418 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCc3sccc32)C1 ZINC000635011133 351630030 /nfs/dbraw/zinc/63/00/30/351630030.db2.gz MKXNOIVYHNLYJD-JSGCOSHPSA-N 1 3 278.465 3.493 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1OCCN(C)C ZINC000122284064 187024579 /nfs/dbraw/zinc/02/45/79/187024579.db2.gz ZYNIYPWUHMGJBO-CABCVRRESA-N 1 3 278.440 3.151 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795335 188162624 /nfs/dbraw/zinc/16/26/24/188162624.db2.gz SNYBEDBBHVYKRB-YQQAZPJKSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795335 188162626 /nfs/dbraw/zinc/16/26/26/188162626.db2.gz SNYBEDBBHVYKRB-YQQAZPJKSA-N 1 3 298.434 3.006 20 0 CGADHO Cc1cc([C@H](C)[NH2+]CC2=CCN(C)CC2)c(C)s1 ZINC000271823895 191349367 /nfs/dbraw/zinc/34/93/67/191349367.db2.gz CRXIVHVMCFPCJL-LBPRGKRZSA-N 1 3 264.438 3.277 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCC1)c1ccncc1F ZINC000340473884 215595579 /nfs/dbraw/zinc/59/55/79/215595579.db2.gz DXKGILDUOKYDSQ-AWEZNQCLSA-N 1 3 279.403 3.137 20 0 CGADHO CC(C)Oc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000110645384 138363470 /nfs/dbraw/zinc/36/34/70/138363470.db2.gz ZPYRYOKESVQLFR-AWEZNQCLSA-N 1 3 276.424 3.033 20 0 CGADHO c1ccc(N[C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000125102580 138379952 /nfs/dbraw/zinc/37/99/52/138379952.db2.gz XJDQVRLXHOMQJZ-GOSISDBHSA-N 1 3 287.451 3.049 20 0 CGADHO c1ccc(N[C@@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000125102580 138379953 /nfs/dbraw/zinc/37/99/53/138379953.db2.gz XJDQVRLXHOMQJZ-GOSISDBHSA-N 1 3 287.451 3.049 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(OC2CCCC2)cc1 ZINC000422948723 235947590 /nfs/dbraw/zinc/94/75/90/235947590.db2.gz SRHFBAHQPLGBCY-UONOGXRCSA-N 1 3 276.424 3.223 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000423056021 235965378 /nfs/dbraw/zinc/96/53/78/235965378.db2.gz XPPYEDJSWCCDMF-RYUDHWBXSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423162316 235984500 /nfs/dbraw/zinc/98/45/00/235984500.db2.gz PBQMCIKYCGEPOS-OLZOCXBDSA-N 1 3 296.405 3.345 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@H](C[NH3+])C1CC1 ZINC000423281308 236020615 /nfs/dbraw/zinc/02/06/15/236020615.db2.gz UEQYBFSTRXUNCA-JKSUJKDBSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423300235 236030591 /nfs/dbraw/zinc/03/05/91/236030591.db2.gz CUAXENTYDXBGTF-ZLDLUXBVSA-N 1 3 266.816 3.161 20 0 CGADHO N[C@@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314685 236035931 /nfs/dbraw/zinc/03/59/31/236035931.db2.gz HNJCWINMMQCMGE-GJZGRUSLSA-N 1 3 264.800 3.044 20 0 CGADHO Clc1ccc([C@H](CC2CC2)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000423327198 236040229 /nfs/dbraw/zinc/04/02/29/236040229.db2.gz DAYBKDVJJLQCPK-CJNGLKHVSA-N 1 3 278.827 3.380 20 0 CGADHO Cc1ccc(OC(F)F)c([C@@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423348773 236046261 /nfs/dbraw/zinc/04/62/61/236046261.db2.gz UXIBKZXVXOWDCX-GFCCVEGCSA-N 1 3 296.361 3.167 20 0 CGADHO c1ccc([C@@H]2CC[C@@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423362219 236049943 /nfs/dbraw/zinc/04/99/43/236049943.db2.gz MXVDCEBMPFAJOL-BRWVUGGUSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423366103 236051344 /nfs/dbraw/zinc/05/13/44/236051344.db2.gz BNACDVKVRNQAJH-HPTBWKMGSA-N 1 3 276.399 3.309 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367592 236051609 /nfs/dbraw/zinc/05/16/09/236051609.db2.gz CVVQTKBDTANONL-OAHLLOKOSA-N 1 3 295.430 3.186 20 0 CGADHO COCCC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccc(F)cc1 ZINC000423370921 236053040 /nfs/dbraw/zinc/05/30/40/236053040.db2.gz DZOPRSOEUOMKLS-XKQJLSEDSA-N 1 3 294.414 3.024 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423369019 236053270 /nfs/dbraw/zinc/05/32/70/236053270.db2.gz DRQNTAYIVJXZIJ-UHTWSYAYSA-N 1 3 284.350 3.209 20 0 CGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccn1 ZINC000423494853 236085934 /nfs/dbraw/zinc/08/59/34/236085934.db2.gz BCUVDXFHQKTETN-YOEHRIQHSA-N 1 3 269.392 3.212 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423509987 236089059 /nfs/dbraw/zinc/08/90/59/236089059.db2.gz PCQJMNDISFATJK-QBIMZIAESA-N 1 3 299.393 3.027 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)CN(C)C ZINC000425951509 236275388 /nfs/dbraw/zinc/27/53/88/236275388.db2.gz MWVNWZGCNDRWNQ-HYVNUMGLSA-N 1 3 260.425 3.110 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2csc(C)c2)CC1 ZINC000294789473 199183319 /nfs/dbraw/zinc/18/33/19/199183319.db2.gz KNWYPOKWJCTKGW-UHFFFAOYSA-N 1 3 266.454 3.363 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2csc(C)c2)CC1 ZINC000294789473 199183321 /nfs/dbraw/zinc/18/33/21/199183321.db2.gz KNWYPOKWJCTKGW-UHFFFAOYSA-N 1 3 266.454 3.363 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CC(C)(C)C1 ZINC000021013443 291146189 /nfs/dbraw/zinc/14/61/89/291146189.db2.gz BYMJCTFYRHDLPO-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@H]1CC1(C)C ZINC000423532652 299282130 /nfs/dbraw/zinc/28/21/30/299282130.db2.gz VOJWHPZSEZQQDN-NCDQQDHASA-N 1 3 276.468 3.164 20 0 CGADHO Cc1cc2cc(CNC3CC[NH+](C4CC4)CC3)ccc2[nH]1 ZINC000297298935 200139900 /nfs/dbraw/zinc/13/99/00/200139900.db2.gz AGYWTHDDCUHJSB-UHFFFAOYSA-N 1 3 283.419 3.193 20 0 CGADHO C[C@@H]([NH2+]CCCCCF)[C@@H]1CCCN(C2CCC2)C1 ZINC000341906987 216146566 /nfs/dbraw/zinc/14/65/66/216146566.db2.gz VUNXXJQSNOMTHD-HUUCEWRRSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]([NH2+]CC1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000177773640 189068657 /nfs/dbraw/zinc/06/86/57/189068657.db2.gz JGFQKEZMLLTBIW-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1cc(C)cc(OCCN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000177947105 189081068 /nfs/dbraw/zinc/08/10/68/189081068.db2.gz GNCQRVOBXUSXAK-JZXOWHBKSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cc(C)cc(OCCN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947105 189081069 /nfs/dbraw/zinc/08/10/69/189081069.db2.gz GNCQRVOBXUSXAK-JZXOWHBKSA-N 1 3 290.451 3.001 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OC(F)F)cc1 ZINC000179616818 189207994 /nfs/dbraw/zinc/20/79/94/189207994.db2.gz QHTWKICHTMTSFO-JSGCOSHPSA-N 1 3 298.377 3.423 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(Cl)nc1 ZINC000181384807 189295501 /nfs/dbraw/zinc/29/55/01/189295501.db2.gz QRJAVFISPDGDJH-LBPRGKRZSA-N 1 3 293.842 3.260 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)N1CC[C@H](C[NH+](C)C)C1 ZINC000183299715 189353988 /nfs/dbraw/zinc/35/39/88/189353988.db2.gz FCFNRCKBOJGWKX-GOEBONIOSA-N 1 3 278.415 3.030 20 0 CGADHO C[C@H](CC(C)(C)C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000449100833 239179687 /nfs/dbraw/zinc/17/96/87/239179687.db2.gz CKYUVDKRRJFKDC-PMPSAXMXSA-N 1 3 284.488 3.290 20 0 CGADHO CSC1(CNCc2cccc(C)c2F)CC[NH+](C)CC1 ZINC000449334889 239323503 /nfs/dbraw/zinc/32/35/03/239323503.db2.gz KBCCOIWVWZGMPI-UHFFFAOYSA-N 1 3 296.455 3.051 20 0 CGADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)cc2ccccc21 ZINC000451172228 240236335 /nfs/dbraw/zinc/23/63/35/240236335.db2.gz MXPQCUKPUYHYIP-AWEZNQCLSA-N 1 3 286.419 3.136 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459629292 242153292 /nfs/dbraw/zinc/15/32/92/242153292.db2.gz GZCWCZFTWDCWLH-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000459629292 242153295 /nfs/dbraw/zinc/15/32/95/242153295.db2.gz GZCWCZFTWDCWLH-DDBAPUKQSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H](C1CC1)[NH+](C)C ZINC000462487686 242347624 /nfs/dbraw/zinc/34/76/24/242347624.db2.gz UNAMWTYGXJAEGF-MRXNPFEDSA-N 1 3 283.419 3.026 20 0 CGADHO Cc1cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000462802691 242364629 /nfs/dbraw/zinc/36/46/29/242364629.db2.gz MJIBBSLBDXLDTA-HOTGVXAUSA-N 1 3 292.854 3.407 20 0 CGADHO Cc1cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000462802691 242364634 /nfs/dbraw/zinc/36/46/34/242364634.db2.gz MJIBBSLBDXLDTA-HOTGVXAUSA-N 1 3 292.854 3.407 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000477137616 243036022 /nfs/dbraw/zinc/03/60/22/243036022.db2.gz VWQJIEDLJDOEPC-DZGCQCFKSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000477137616 243036027 /nfs/dbraw/zinc/03/60/27/243036027.db2.gz VWQJIEDLJDOEPC-DZGCQCFKSA-N 1 3 297.446 3.422 20 0 CGADHO CC[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000480599710 243156353 /nfs/dbraw/zinc/15/63/53/243156353.db2.gz CLVJXWWHORMPIQ-LZWOXQAQSA-N 1 3 252.446 3.133 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000121809880 370898575 /nfs/dbraw/zinc/89/85/75/370898575.db2.gz LGBASMMNIQCPDF-OAHLLOKOSA-N 1 3 292.471 3.237 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2cc(C)ccc2C)CC1 ZINC000035010573 368987641 /nfs/dbraw/zinc/98/76/41/368987641.db2.gz SPQHABRJFXYFGN-HNNXBMFYSA-N 1 3 260.425 3.438 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2cc(C)sc2C)CC1 ZINC000037122865 369064454 /nfs/dbraw/zinc/06/44/54/369064454.db2.gz UDGKRZSJWZSYDB-LBPRGKRZSA-N 1 3 266.454 3.500 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C(CC(C)C)CC(C)C)C1 ZINC000037644194 369094684 /nfs/dbraw/zinc/09/46/84/369094684.db2.gz VVJKCMJERCVQME-HNNXBMFYSA-N 1 3 254.462 3.379 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649040 369095376 /nfs/dbraw/zinc/09/53/76/369095376.db2.gz UJNXZQAVWSXVMR-KBXCAEBGSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649040 369095381 /nfs/dbraw/zinc/09/53/81/369095381.db2.gz UJNXZQAVWSXVMR-KBXCAEBGSA-N 1 3 270.420 3.138 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648952 369096011 /nfs/dbraw/zinc/09/60/11/369096011.db2.gz XDBRXTJPSUEANG-CABCVRRESA-N 1 3 284.447 3.310 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648952 369096014 /nfs/dbraw/zinc/09/60/14/369096014.db2.gz XDBRXTJPSUEANG-CABCVRRESA-N 1 3 284.447 3.310 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037649305 369097647 /nfs/dbraw/zinc/09/76/47/369097647.db2.gz QPAFCKKRARPABK-CABCVRRESA-N 1 3 288.435 3.139 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037713205 369100194 /nfs/dbraw/zinc/10/01/94/369100194.db2.gz RWVMMDYWTABINQ-AWEZNQCLSA-N 1 3 254.377 3.353 20 0 CGADHO CC[NH+]1CCC(Nc2cc(C)nc3ccccc32)CC1 ZINC000037980432 369131213 /nfs/dbraw/zinc/13/12/13/369131213.db2.gz XFZWVEMTKQNEPW-UHFFFAOYSA-N 1 3 269.392 3.439 20 0 CGADHO C[NH+](C)CCCC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494978278 244339873 /nfs/dbraw/zinc/33/98/73/244339873.db2.gz IYCYGOCMFOZMIW-XQRVVYSFSA-N 1 3 287.451 3.149 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C(c1ccccc1)c1ccccc1)C1CNC1 ZINC000422945360 296144233 /nfs/dbraw/zinc/14/42/33/296144233.db2.gz UGPREKZXYNPIQA-CVEARBPZSA-N 1 3 294.442 3.405 20 0 CGADHO C[C@@H](N[C@@H](C)C(c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422945360 296144236 /nfs/dbraw/zinc/14/42/36/296144236.db2.gz UGPREKZXYNPIQA-CVEARBPZSA-N 1 3 294.442 3.405 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)s1 ZINC000062078130 369618115 /nfs/dbraw/zinc/61/81/15/369618115.db2.gz DBTOJQRLALLJSY-TZMCWYRMSA-N 1 3 266.454 3.439 20 0 CGADHO CSc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197459 369643941 /nfs/dbraw/zinc/64/39/41/369643941.db2.gz SILMYVNJYIGTRU-KRWDZBQOSA-N 1 3 290.476 3.373 20 0 CGADHO CN(Cc1cccc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC000093089270 370108015 /nfs/dbraw/zinc/10/80/15/370108015.db2.gz ZBPCGVBLNKZNER-UHFFFAOYSA-N 1 3 284.806 3.253 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000423406892 296156668 /nfs/dbraw/zinc/15/66/68/296156668.db2.gz VFVQRCWPIBJMRF-JFIYKMOQSA-N 1 3 286.463 3.475 20 0 CGADHO C[C@@H]([NH2+][C@H](C)C1CNC1)C(c1ccccc1)c1ccccc1 ZINC000422945362 296158339 /nfs/dbraw/zinc/15/83/39/296158339.db2.gz UGPREKZXYNPIQA-HZPDHXFCSA-N 1 3 294.442 3.405 20 0 CGADHO C[C@@H](N[C@H](C)C1C[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000422945362 296158342 /nfs/dbraw/zinc/15/83/42/296158342.db2.gz UGPREKZXYNPIQA-HZPDHXFCSA-N 1 3 294.442 3.405 20 0 CGADHO CCC[N@H+](Cc1ccc(Cl)c(F)c1)C1CCNCC1 ZINC000219656095 376201700 /nfs/dbraw/zinc/20/17/00/376201700.db2.gz JHFMLZTVNOQVPX-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cc(F)cc(F)c1 ZINC000423276898 299417419 /nfs/dbraw/zinc/41/74/19/299417419.db2.gz OZWWGBYBWHZVKZ-RWSFTLGLSA-N 1 3 268.351 3.133 20 0 CGADHO CCC[N@@H+](Cc1ccc(Cl)c(F)c1)C1CCNCC1 ZINC000219656095 376201703 /nfs/dbraw/zinc/20/17/03/376201703.db2.gz JHFMLZTVNOQVPX-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130314946 371024895 /nfs/dbraw/zinc/02/48/95/371024895.db2.gz KOOPWTRNBQCLQG-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130314946 371024896 /nfs/dbraw/zinc/02/48/96/371024896.db2.gz KOOPWTRNBQCLQG-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134885413 371372707 /nfs/dbraw/zinc/37/27/07/371372707.db2.gz BWHBJRRJHXZJOW-IEBWSBKVSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134885413 371372711 /nfs/dbraw/zinc/37/27/11/371372711.db2.gz BWHBJRRJHXZJOW-IEBWSBKVSA-N 1 3 284.447 3.444 20 0 CGADHO C[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000147854304 371519384 /nfs/dbraw/zinc/51/93/84/371519384.db2.gz CNEOCOJWHVMMIL-HONMWMINSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150749441 371536593 /nfs/dbraw/zinc/53/65/93/371536593.db2.gz QPVIRJYQBTXIBC-DLBZAZTESA-N 1 3 272.436 3.208 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000150749441 371536599 /nfs/dbraw/zinc/53/65/99/371536599.db2.gz QPVIRJYQBTXIBC-DLBZAZTESA-N 1 3 272.436 3.208 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)c1ccccc1 ZINC000150749441 371536604 /nfs/dbraw/zinc/53/66/04/371536604.db2.gz QPVIRJYQBTXIBC-DLBZAZTESA-N 1 3 272.436 3.208 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3C)C1 ZINC000151100929 371567534 /nfs/dbraw/zinc/56/75/34/371567534.db2.gz OBSXQSPEEMBDOA-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3C)C1 ZINC000151100929 371567538 /nfs/dbraw/zinc/56/75/38/371567538.db2.gz OBSXQSPEEMBDOA-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000151100929 371567541 /nfs/dbraw/zinc/56/75/41/371567541.db2.gz OBSXQSPEEMBDOA-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000220342208 376208147 /nfs/dbraw/zinc/20/81/47/376208147.db2.gz IQQMRDHNDDMNLO-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CC[C@H](C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000421874329 371691597 /nfs/dbraw/zinc/69/15/97/371691597.db2.gz IFIXKPZUITZENP-GJZGRUSLSA-N 1 3 278.440 3.324 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](CCCCOc2ccccc2)C[C@@H]1CN ZINC000422564334 371752145 /nfs/dbraw/zinc/75/21/45/371752145.db2.gz VRCWFJGTDYEUOG-IKGGRYGDSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](CCCCOc2ccccc2)C[C@@H]1CN ZINC000422564334 371752157 /nfs/dbraw/zinc/75/21/57/371752157.db2.gz VRCWFJGTDYEUOG-IKGGRYGDSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@H](C)N(CCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000422564334 371752168 /nfs/dbraw/zinc/75/21/68/371752168.db2.gz VRCWFJGTDYEUOG-IKGGRYGDSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C\c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000422562655 371753227 /nfs/dbraw/zinc/75/32/27/371753227.db2.gz QPCXBTPGFWRGPP-LJKPJROJSA-N 1 3 276.399 3.144 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422700934 371756197 /nfs/dbraw/zinc/75/61/97/371756197.db2.gz HOLFIEZCPYDLMX-ZIAGYGMSSA-N 1 3 298.352 3.206 20 0 CGADHO c1ccc(CCCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422706211 371761463 /nfs/dbraw/zinc/76/14/63/371761463.db2.gz TVIAORUOGNSNJE-JWTNVVGKSA-N 1 3 272.436 3.272 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422727057 371770984 /nfs/dbraw/zinc/77/09/84/371770984.db2.gz BKGAWQKXIGKWPE-NWDGAFQWSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1ccc(Cl)cc1 ZINC000422727057 371770990 /nfs/dbraw/zinc/77/09/90/371770990.db2.gz BKGAWQKXIGKWPE-NWDGAFQWSA-N 1 3 268.832 3.333 20 0 CGADHO COc1ccc(CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422731040 371772886 /nfs/dbraw/zinc/77/28/86/371772886.db2.gz GIYCANXDMRHJAX-MOPGFXCFSA-N 1 3 296.414 3.362 20 0 CGADHO CN(CCCC[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422746568 371782599 /nfs/dbraw/zinc/78/25/99/371782599.db2.gz ZVHPFLOJGFHATC-AEFFLSMTSA-N 1 3 289.467 3.010 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC(c1ccccc1)c1ccccc1 ZINC000422755619 371787912 /nfs/dbraw/zinc/78/79/12/371787912.db2.gz KRYKJLNDLAFCEX-OALUTQOASA-N 1 3 280.415 3.288 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000422759909 371789252 /nfs/dbraw/zinc/78/92/52/371789252.db2.gz KNFGGXGAXFVAEX-UXLLHSPISA-N 1 3 260.425 3.076 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422761804 371790830 /nfs/dbraw/zinc/79/08/30/371790830.db2.gz HQQWJYXJGKIERU-WFASDCNBSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422820242 371829440 /nfs/dbraw/zinc/82/94/40/371829440.db2.gz PPDSRVQYKSYSSF-RFQIPJPRSA-N 1 3 292.389 3.475 20 0 CGADHO Cc1cc(Br)cc(C)c1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422828453 371831413 /nfs/dbraw/zinc/83/14/13/371831413.db2.gz TWLKBEVCKHYRFH-RYUDHWBXSA-N 1 3 299.256 3.281 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825278 371831611 /nfs/dbraw/zinc/83/16/11/371831611.db2.gz JHVRBLNNQGUORH-PGUXBMHVSA-N 1 3 298.377 3.381 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422777695 371801208 /nfs/dbraw/zinc/80/12/08/371801208.db2.gz GCYVYECXVYDBHQ-WBVHZDCISA-N 1 3 274.452 3.380 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Sc1ccccc1 ZINC000422780806 371803170 /nfs/dbraw/zinc/80/31/70/371803170.db2.gz DPYLCXXSHNHKFM-IJEWVQPXSA-N 1 3 278.465 3.274 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Sc1ccccc1 ZINC000422780806 371803181 /nfs/dbraw/zinc/80/31/81/371803181.db2.gz DPYLCXXSHNHKFM-IJEWVQPXSA-N 1 3 278.465 3.274 20 0 CGADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000422787654 371809336 /nfs/dbraw/zinc/80/93/36/371809336.db2.gz UTUNIVKEFIWMBV-UXLLHSPISA-N 1 3 260.425 3.342 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccccc1Cl ZINC000422792489 371810975 /nfs/dbraw/zinc/81/09/75/371810975.db2.gz ZHZUQXUISDEMPE-HUUCEWRRSA-N 1 3 266.816 3.132 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccccc1Cl ZINC000422792487 371811109 /nfs/dbraw/zinc/81/11/09/371811109.db2.gz ZHZUQXUISDEMPE-GJZGRUSLSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(F)cc1F ZINC000422798600 371814978 /nfs/dbraw/zinc/81/49/78/371814978.db2.gz RXPMEFPHQOADNY-HSMVNMDESA-N 1 3 282.378 3.175 20 0 CGADHO CCO[C@H](CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000422803062 371817544 /nfs/dbraw/zinc/81/75/44/371817544.db2.gz CJMQHLUIODZNFR-GVDBMIGSSA-N 1 3 284.488 3.338 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccc(F)cc1F ZINC000422801081 371819361 /nfs/dbraw/zinc/81/93/61/371819361.db2.gz DMKRZOCZFGRPBU-HWWQOWPSSA-N 1 3 282.378 3.046 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc(F)cc1F ZINC000422801081 371819363 /nfs/dbraw/zinc/81/93/63/371819363.db2.gz DMKRZOCZFGRPBU-HWWQOWPSSA-N 1 3 282.378 3.046 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422816001 371827697 /nfs/dbraw/zinc/82/76/97/371827697.db2.gz CWNXKRNCQWXLQA-NDBYEHHHSA-N 1 3 278.362 3.085 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865455 371845335 /nfs/dbraw/zinc/84/53/35/371845335.db2.gz YECBREGGFFJWLO-ZWKOTPCHSA-N 1 3 282.387 3.448 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCCC2)C1(CC)CC ZINC000344088051 217043774 /nfs/dbraw/zinc/04/37/74/217043774.db2.gz NHDOUSNQBBJRLD-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccccc1OCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422945268 371885253 /nfs/dbraw/zinc/88/52/53/371885253.db2.gz NHOTYAYKAMNQGX-IRXDYDNUSA-N 1 3 282.387 3.108 20 0 CGADHO Cc1nc(C)c(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000422885242 371853951 /nfs/dbraw/zinc/85/39/51/371853951.db2.gz GOJVNTAWCOAJLM-CABCVRRESA-N 1 3 287.432 3.037 20 0 CGADHO Cc1nc(C)c(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)s1 ZINC000422885242 371853956 /nfs/dbraw/zinc/85/39/56/371853956.db2.gz GOJVNTAWCOAJLM-CABCVRRESA-N 1 3 287.432 3.037 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954211 371860877 /nfs/dbraw/zinc/86/08/77/371860877.db2.gz ICDUKEHSFBMILO-WBVHZDCISA-N 1 3 290.451 3.171 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000289954211 371860882 /nfs/dbraw/zinc/86/08/82/371860882.db2.gz ICDUKEHSFBMILO-WBVHZDCISA-N 1 3 290.451 3.171 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422915786 371867683 /nfs/dbraw/zinc/86/76/83/371867683.db2.gz YZRAQAYXDPRDDP-DOTOQJQBSA-N 1 3 274.452 3.233 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1cccc(C)c1 ZINC000422922486 371871564 /nfs/dbraw/zinc/87/15/64/371871564.db2.gz SWSLRTCPLTVJOL-NUJGCVRESA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422922486 371871567 /nfs/dbraw/zinc/87/15/67/371871567.db2.gz SWSLRTCPLTVJOL-NUJGCVRESA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(C)c1 ZINC000422924144 371873882 /nfs/dbraw/zinc/87/38/82/371873882.db2.gz XVLDWHKFDPXBIQ-JFIYKMOQSA-N 1 3 290.451 3.130 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000422843055 371835901 /nfs/dbraw/zinc/83/59/01/371835901.db2.gz GUMAYFVKMWAGLH-WBVHZDCISA-N 1 3 274.452 3.244 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422853051 371841488 /nfs/dbraw/zinc/84/14/88/371841488.db2.gz RUKMMMUCHQOYCL-RVMXOQNASA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423052843 371936190 /nfs/dbraw/zinc/93/61/90/371936190.db2.gz QOVFPRBUVGGFDH-YVECIDJPSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423053312 371938296 /nfs/dbraw/zinc/93/82/96/371938296.db2.gz AINCZFPGHHRFMG-OWYHZJEWSA-N 1 3 286.463 3.376 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000423059880 371939352 /nfs/dbraw/zinc/93/93/52/371939352.db2.gz NBHMTEILEXEJRQ-OCCSQVGLSA-N 1 3 275.440 3.468 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000423061844 371941317 /nfs/dbraw/zinc/94/13/17/371941317.db2.gz RNXLZPPMZOKTQI-DDTOSNHZSA-N 1 3 286.341 3.278 20 0 CGADHO c1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000422958068 371891131 /nfs/dbraw/zinc/89/11/31/371891131.db2.gz OJKXFHXOTGJJPV-SJPCQFCGSA-N 1 3 270.420 3.024 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000422984644 371901199 /nfs/dbraw/zinc/90/11/99/371901199.db2.gz BEHDUJRDGGSZAD-XKQJLSEDSA-N 1 3 276.399 3.310 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422984974 371901846 /nfs/dbraw/zinc/90/18/46/371901846.db2.gz ZTTQAGPOGBCVTO-GUDVDZBRSA-N 1 3 286.463 3.438 20 0 CGADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)cc1 ZINC000422984974 371901851 /nfs/dbraw/zinc/90/18/51/371901851.db2.gz ZTTQAGPOGBCVTO-GUDVDZBRSA-N 1 3 286.463 3.438 20 0 CGADHO c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422988118 371904387 /nfs/dbraw/zinc/90/43/87/371904387.db2.gz IEXYYTKPDBHXDX-XRNRSJMDSA-N 1 3 296.458 3.083 20 0 CGADHO COc1cccc(C(C)(C)CN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423002973 371909939 /nfs/dbraw/zinc/90/99/39/371909939.db2.gz KJIYPDLYYYQKGB-IRXDYDNUSA-N 1 3 290.451 3.222 20 0 CGADHO CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423019310 371918981 /nfs/dbraw/zinc/91/89/81/371918981.db2.gz VBOJFIJDVLUXJM-OCCSQVGLSA-N 1 3 298.434 3.218 20 0 CGADHO COCCC1(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000423067141 371944175 /nfs/dbraw/zinc/94/41/75/371944175.db2.gz YPLFKTKATHHDTG-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO CS[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423027842 371924046 /nfs/dbraw/zinc/92/40/46/371924046.db2.gz FEAOVHJSBPNRKN-QLFBSQMISA-N 1 3 278.465 3.499 20 0 CGADHO CS[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C(C)(C)C ZINC000423027842 371924051 /nfs/dbraw/zinc/92/40/51/371924051.db2.gz FEAOVHJSBPNRKN-QLFBSQMISA-N 1 3 278.465 3.499 20 0 CGADHO C[C@H](NC1CCC(C[NH3+])CC1)c1cccc(F)c1F ZINC000423028211 371924711 /nfs/dbraw/zinc/92/47/11/371924711.db2.gz SGILSWVYQWCEEF-UNXYVOJBSA-N 1 3 268.351 3.133 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000423032969 371926454 /nfs/dbraw/zinc/92/64/54/371926454.db2.gz FWEOECTZJKOPJY-IPYPFGDCSA-N 1 3 295.496 3.455 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(F)(F)F ZINC000423046421 371931384 /nfs/dbraw/zinc/93/13/84/371931384.db2.gz DPCBNDFGWODYNV-KWCYVHTRSA-N 1 3 286.341 3.268 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095823 371961191 /nfs/dbraw/zinc/96/11/91/371961191.db2.gz NDITUPHYXMMFPC-MCPWVCTESA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095823 371961203 /nfs/dbraw/zinc/96/12/03/371961203.db2.gz NDITUPHYXMMFPC-MCPWVCTESA-N 1 3 294.389 3.189 20 0 CGADHO CCOc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000423100349 371962809 /nfs/dbraw/zinc/96/28/09/371962809.db2.gz GTGHTZVTEFHANN-DZGCQCFKSA-N 1 3 296.842 3.346 20 0 CGADHO Cc1cccc(CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000423099597 371963569 /nfs/dbraw/zinc/96/35/69/371963569.db2.gz FPEONEUTZNGXPF-ZWKOTPCHSA-N 1 3 281.403 3.057 20 0 CGADHO COCC[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423102831 371966437 /nfs/dbraw/zinc/96/64/37/371966437.db2.gz ABCARTGGKHGWAJ-OAGGEKHMSA-N 1 3 276.424 3.172 20 0 CGADHO CC1(c2ccccc2)CC([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423107472 371969377 /nfs/dbraw/zinc/96/93/77/371969377.db2.gz RZFZSBAZNCJAEY-VNCIIQTRSA-N 1 3 272.436 3.214 20 0 CGADHO C[C@@H](NCC1CC(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423117046 371974428 /nfs/dbraw/zinc/97/44/28/371974428.db2.gz SPXVGUYWBCVDRF-VSVYTNTFSA-N 1 3 272.436 3.300 20 0 CGADHO CCSc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423126360 371978920 /nfs/dbraw/zinc/97/89/20/371978920.db2.gz IRIWGGLQDNGYPM-RYUDHWBXSA-N 1 3 252.427 3.014 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000423129119 371980210 /nfs/dbraw/zinc/98/02/10/371980210.db2.gz DQZPCGFYNSUYHX-OPFPJEHXSA-N 1 3 275.440 3.324 20 0 CGADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000290397515 371980696 /nfs/dbraw/zinc/98/06/96/371980696.db2.gz JDTRGSZTIWCEFJ-OAHLLOKOSA-N 1 3 294.389 3.129 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423128180 371981065 /nfs/dbraw/zinc/98/10/65/371981065.db2.gz KNBYQWYSJNTVAY-OLMNPRSZSA-N 1 3 272.436 3.158 20 0 CGADHO COCC(C)(C)CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423131464 371983120 /nfs/dbraw/zinc/98/31/20/371983120.db2.gz SXKZIEBJZCVMDQ-HOTGVXAUSA-N 1 3 276.424 3.174 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2CN)c(C)c1 ZINC000423133998 371984539 /nfs/dbraw/zinc/98/45/39/371984539.db2.gz RCRWVCYFEKVFFJ-WBVHZDCISA-N 1 3 274.452 3.298 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000423139569 371986788 /nfs/dbraw/zinc/98/67/88/371986788.db2.gz VNAKVFHFTMIZPE-QWRGUYRKSA-N 1 3 256.340 3.014 20 0 CGADHO CCSc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423139129 371986844 /nfs/dbraw/zinc/98/68/44/371986844.db2.gz YVEWFXSTYAQDDL-CZUORRHYSA-N 1 3 278.465 3.276 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423142605 371988330 /nfs/dbraw/zinc/98/83/30/371988330.db2.gz ARMGDNHSQDCQLK-YIKOMLBNSA-N 1 3 264.800 3.055 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173022 372002838 /nfs/dbraw/zinc/00/28/38/372002838.db2.gz WQLODFMZIQXHMM-YIKOMLBNSA-N 1 3 296.817 3.442 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173022 372002846 /nfs/dbraw/zinc/00/28/46/372002846.db2.gz WQLODFMZIQXHMM-YIKOMLBNSA-N 1 3 296.817 3.442 20 0 CGADHO COc1cc(CCN[C@H]2CCCCC[C@@H]2[NH3+])ccc1Cl ZINC000423140864 371989614 /nfs/dbraw/zinc/98/96/14/371989614.db2.gz ZOFDBJXOHVPAPG-GJZGRUSLSA-N 1 3 296.842 3.141 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3CN)CC2)c(C)c1 ZINC000423144696 371991010 /nfs/dbraw/zinc/99/10/10/371991010.db2.gz HRLCEOWFPPSRSK-RDJZCZTQSA-N 1 3 272.436 3.052 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccccc1OC(F)F ZINC000423072232 371947221 /nfs/dbraw/zinc/94/72/21/371947221.db2.gz PMAGSGSBVWJQBU-KBPBESRZSA-N 1 3 298.377 3.080 20 0 CGADHO CC[C@@H](NCC1(C)CCC(OC)CC1)[C@H]1CCCC[NH2+]1 ZINC000423091107 371956699 /nfs/dbraw/zinc/95/66/99/371956699.db2.gz ZJPGJXUXVRPMBY-JCCCHCCOSA-N 1 3 282.472 3.092 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)NCCC[NH3+] ZINC000423195471 372018916 /nfs/dbraw/zinc/01/89/16/372018916.db2.gz SQEUVAGNOQZEAR-GFCCVEGCSA-N 1 3 272.845 3.149 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCN ZINC000423195471 372018918 /nfs/dbraw/zinc/01/89/18/372018918.db2.gz SQEUVAGNOQZEAR-GFCCVEGCSA-N 1 3 272.845 3.149 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)s1 ZINC000290592132 372024977 /nfs/dbraw/zinc/02/49/77/372024977.db2.gz VIJKQVZJFXQIOA-OAHLLOKOSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)s1 ZINC000290592132 372024980 /nfs/dbraw/zinc/02/49/80/372024980.db2.gz VIJKQVZJFXQIOA-OAHLLOKOSA-N 1 3 278.465 3.220 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000157584808 372027696 /nfs/dbraw/zinc/02/76/96/372027696.db2.gz DZOLVKUBGKPJSX-YIDVYQOGSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423409371 372061662 /nfs/dbraw/zinc/06/16/62/372061662.db2.gz YVEIGIVUHVQRIN-HFBAOOFYSA-N 1 3 278.827 3.379 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423313032 372051279 /nfs/dbraw/zinc/05/12/79/372051279.db2.gz WHGQZYJSWQYRFT-GJZGRUSLSA-N 1 3 260.425 3.071 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423384086 372058442 /nfs/dbraw/zinc/05/84/42/372058442.db2.gz PWXVCKUWELGLAM-AHIWAGSCSA-N 1 3 288.435 3.148 20 0 CGADHO c1ccc(CN2CCC[C@H]3C[N@H+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116803 372109014 /nfs/dbraw/zinc/10/90/14/372109014.db2.gz DOTFHGKDWRWHOM-OALUTQOASA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CCC[C@H]3C[N@@H+](CC4CC4)CC[C@@H]32)cc1 ZINC000159116803 372109022 /nfs/dbraw/zinc/10/90/22/372109022.db2.gz DOTFHGKDWRWHOM-OALUTQOASA-N 1 3 284.447 3.383 20 0 CGADHO [NH3+]C[C@H](N[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000423531469 372072048 /nfs/dbraw/zinc/07/20/48/372072048.db2.gz QKSSURRZOQKKCR-IRXDYDNUSA-N 1 3 258.409 3.171 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000426334610 372154229 /nfs/dbraw/zinc/15/42/29/372154229.db2.gz AQRXPDHWMBNUBF-DOTOQJQBSA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000426334610 372154236 /nfs/dbraw/zinc/15/42/36/372154236.db2.gz AQRXPDHWMBNUBF-DOTOQJQBSA-N 1 3 296.499 3.292 20 0 CGADHO COC1(C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)CCC1 ZINC000429349925 372353999 /nfs/dbraw/zinc/35/39/99/372353999.db2.gz AWXVLJQQTXJZPK-HOTGVXAUSA-N 1 3 282.472 3.188 20 0 CGADHO Fc1ccc(/C=C/CN2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC000430930631 372406478 /nfs/dbraw/zinc/40/64/78/372406478.db2.gz BMHNPCNFNMGBRV-OWOJBTEDSA-N 1 3 292.373 3.054 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000163313870 372461717 /nfs/dbraw/zinc/46/17/17/372461717.db2.gz HBRNEAUDQBPLSU-LSDHHAIUSA-N 1 3 278.415 3.435 20 0 CGADHO Cc1oc2ccccc2c1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163435268 372469420 /nfs/dbraw/zinc/46/94/20/372469420.db2.gz CSJIBBNSNCVVJZ-TZMCWYRMSA-N 1 3 272.392 3.158 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC(C[NH3+])CC2)s1 ZINC000166167764 372566362 /nfs/dbraw/zinc/56/63/62/372566362.db2.gz MHJDNLJDVUATBN-UHFFFAOYSA-N 1 3 266.454 3.216 20 0 CGADHO C[C@H](Cc1ccccc1)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435398064 372760729 /nfs/dbraw/zinc/76/07/29/372760729.db2.gz MPMGOWIFZKQSHG-NAZJXLNTSA-N 1 3 272.436 3.080 20 0 CGADHO Cc1cnccc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435600849 372782871 /nfs/dbraw/zinc/78/28/71/372782871.db2.gz GUBRGPDFRDQOIS-MRXNPFEDSA-N 1 3 273.424 3.021 20 0 CGADHO Cc1cnccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435600849 372782879 /nfs/dbraw/zinc/78/28/79/372782879.db2.gz GUBRGPDFRDQOIS-MRXNPFEDSA-N 1 3 273.424 3.021 20 0 CGADHO CC[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000296134402 373031769 /nfs/dbraw/zinc/03/17/69/373031769.db2.gz WKNHXOIFMXHSCZ-OAHLLOKOSA-N 1 3 289.467 3.105 20 0 CGADHO C[C@H](CNCc1cccc2cnccc21)C[NH+]1CCCC1 ZINC000062079027 541886100 /nfs/dbraw/zinc/88/61/00/541886100.db2.gz VLKOBQCRAWWGRJ-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc2cnccc21)CN1CCCC1 ZINC000062079027 541886103 /nfs/dbraw/zinc/88/61/03/541886103.db2.gz VLKOBQCRAWWGRJ-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848929 373046460 /nfs/dbraw/zinc/04/64/60/373046460.db2.gz XGVYYZTWDBAIJQ-KDOFPFPSSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848929 373046463 /nfs/dbraw/zinc/04/64/63/373046463.db2.gz XGVYYZTWDBAIJQ-KDOFPFPSSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCSc1ccc(Cl)cc1 ZINC000442757892 373072074 /nfs/dbraw/zinc/07/20/74/373072074.db2.gz NJISYDAKIGUJDP-RYUDHWBXSA-N 1 3 284.856 3.101 20 0 CGADHO CCCN(CCC[NH+]1CCCCC1)C[C@H]1CCCCO1 ZINC000444569217 373202955 /nfs/dbraw/zinc/20/29/55/373202955.db2.gz LTQHYKWOHAHVFB-QGZVFWFLSA-N 1 3 282.472 3.144 20 0 CGADHO CC(C)(C)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173877683 373207133 /nfs/dbraw/zinc/20/71/33/373207133.db2.gz UIHXZZSOHQPNBK-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)(C)CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173877683 373207140 /nfs/dbraw/zinc/20/71/40/373207140.db2.gz UIHXZZSOHQPNBK-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CC1(C)CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297517781 373274534 /nfs/dbraw/zinc/27/45/34/373274534.db2.gz WMOYOSBNFUVRCG-OAHLLOKOSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298262999 373293302 /nfs/dbraw/zinc/29/33/02/373293302.db2.gz FVGYUROZZLMQGT-OAHLLOKOSA-N 1 3 299.418 3.254 20 0 CGADHO CCN(CC(O)C[N@H+](CC)[C@H](C)C(C)C)[C@H](C)C(C)C ZINC000447162463 373409589 /nfs/dbraw/zinc/40/95/89/373409589.db2.gz IVVZSFJYWQAGPD-HZPDHXFCSA-N 1 3 286.504 3.080 20 0 CGADHO CCN(CC(O)C[N@@H+](CC)[C@H](C)C(C)C)[C@H](C)C(C)C ZINC000447162463 373409594 /nfs/dbraw/zinc/40/95/94/373409594.db2.gz IVVZSFJYWQAGPD-HZPDHXFCSA-N 1 3 286.504 3.080 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]CCCN2CCCC2)c1C ZINC000178412207 373774514 /nfs/dbraw/zinc/77/45/14/373774514.db2.gz ZJNIQNNDFPVZGS-MRXNPFEDSA-N 1 3 260.425 3.440 20 0 CGADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000178642226 373801781 /nfs/dbraw/zinc/80/17/81/373801781.db2.gz WNFBBUMPZNBQTP-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000178642226 373801783 /nfs/dbraw/zinc/80/17/83/373801783.db2.gz WNFBBUMPZNBQTP-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(C)s1 ZINC000178642226 373801787 /nfs/dbraw/zinc/80/17/87/373801787.db2.gz WNFBBUMPZNBQTP-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(C)s1 ZINC000178642226 373801789 /nfs/dbraw/zinc/80/17/89/373801789.db2.gz WNFBBUMPZNBQTP-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)ccn1 ZINC000302526175 373889112 /nfs/dbraw/zinc/88/91/12/373889112.db2.gz BNGRTFDZBFYHTG-UHFFFAOYSA-N 1 3 273.424 3.457 20 0 CGADHO CCc1ccc2nccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000450357188 374077980 /nfs/dbraw/zinc/07/79/80/374077980.db2.gz YXAJNKPPFKVZLT-MRXNPFEDSA-N 1 3 293.414 3.248 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430498 374123324 /nfs/dbraw/zinc/12/33/24/374123324.db2.gz SELKPGHPLPQVIB-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCCC1(F)F ZINC000450430498 374123329 /nfs/dbraw/zinc/12/33/29/374123329.db2.gz SELKPGHPLPQVIB-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C23CCCC3)C1 ZINC000181557987 374139242 /nfs/dbraw/zinc/13/92/42/374139242.db2.gz TXPILVMUFXIMHP-ZACQAIPSSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NCC(C)(C)C1=CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000308771706 374179747 /nfs/dbraw/zinc/17/97/47/374179747.db2.gz VWKIZPYVAHWVMO-HIFRSBDPSA-N 1 3 250.430 3.243 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)CN(C)C ZINC000310153943 374210946 /nfs/dbraw/zinc/21/09/46/374210946.db2.gz PUPVHANVHNLLMT-VXGBXAGGSA-N 1 3 254.805 3.188 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](c1cccs1)C1CCCC1 ZINC000310500277 374218704 /nfs/dbraw/zinc/21/87/04/374218704.db2.gz JBUFYOWHFSRIOF-SMDDNHRTSA-N 1 3 252.427 3.164 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000310500277 374218709 /nfs/dbraw/zinc/21/87/09/374218709.db2.gz JBUFYOWHFSRIOF-SMDDNHRTSA-N 1 3 252.427 3.164 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)CN(C)C ZINC000310912824 374227304 /nfs/dbraw/zinc/22/73/04/374227304.db2.gz YLVHQTZCKMZLQU-NHYWBVRUSA-N 1 3 266.816 3.115 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]C[C@H](C)CN(C)C ZINC000311580999 374248012 /nfs/dbraw/zinc/24/80/12/374248012.db2.gz WZLDLMWDCBKHQQ-LBPRGKRZSA-N 1 3 260.381 3.029 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000453256679 374373170 /nfs/dbraw/zinc/37/31/70/374373170.db2.gz MHKUPBLUQOOMCI-NFAWXSAZSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000453256679 374373177 /nfs/dbraw/zinc/37/31/77/374373177.db2.gz MHKUPBLUQOOMCI-NFAWXSAZSA-N 1 3 264.388 3.267 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000183108857 374374370 /nfs/dbraw/zinc/37/43/70/374374370.db2.gz MBGYFBRIBQTETA-JYJNAYRXSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000183108857 374374373 /nfs/dbraw/zinc/37/43/73/374374373.db2.gz MBGYFBRIBQTETA-JYJNAYRXSA-N 1 3 252.446 3.086 20 0 CGADHO CC/C=C\C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453331038 374426325 /nfs/dbraw/zinc/42/63/25/374426325.db2.gz VJBVQEIUNZNASG-XHPSBEMXSA-N 1 3 276.424 3.244 20 0 CGADHO CC/C=C\CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453331038 374426331 /nfs/dbraw/zinc/42/63/31/374426331.db2.gz VJBVQEIUNZNASG-XHPSBEMXSA-N 1 3 276.424 3.244 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CC(C)(C)OC1(C)C)N1CCCCC1 ZINC000184508810 374534459 /nfs/dbraw/zinc/53/44/59/374534459.db2.gz YFPULQZPXPQSPL-GJZGRUSLSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H](CCN[C@H]1CC(C)(C)OC1(C)C)[NH+]1CCCCC1 ZINC000184508810 374534462 /nfs/dbraw/zinc/53/44/62/374534462.db2.gz YFPULQZPXPQSPL-GJZGRUSLSA-N 1 3 282.472 3.187 20 0 CGADHO CCC[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccnc1 ZINC000185650507 374706479 /nfs/dbraw/zinc/70/64/79/374706479.db2.gz JEQVWEJNLSAXOK-IXDOHACOSA-N 1 3 275.440 3.385 20 0 CGADHO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185687186 374714876 /nfs/dbraw/zinc/71/48/76/374714876.db2.gz XTYRGLQPXJELKS-WMZOPIPTSA-N 1 3 286.463 3.472 20 0 CGADHO COc1cc(C)ccc1CN1CCCC12CC[NH+](C)CC2 ZINC000334626240 374919696 /nfs/dbraw/zinc/91/96/96/374919696.db2.gz AFYMQQZKUZSJBY-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1cc(C)ccc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000334626240 374919703 /nfs/dbraw/zinc/91/97/03/374919703.db2.gz AFYMQQZKUZSJBY-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1cc(C)ccc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000334626240 374919707 /nfs/dbraw/zinc/91/97/07/374919707.db2.gz AFYMQQZKUZSJBY-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000464882272 374914479 /nfs/dbraw/zinc/91/44/79/374914479.db2.gz GHIAUHSQSXSWOE-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000464882272 374914486 /nfs/dbraw/zinc/91/44/86/374914486.db2.gz GHIAUHSQSXSWOE-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000464882272 374914492 /nfs/dbraw/zinc/91/44/92/374914492.db2.gz GHIAUHSQSXSWOE-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000464882272 374914498 /nfs/dbraw/zinc/91/44/98/374914498.db2.gz GHIAUHSQSXSWOE-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938613 375039143 /nfs/dbraw/zinc/03/91/43/375039143.db2.gz KQWMCWPRHCMPQE-FUHWJXTLSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000472938613 375039151 /nfs/dbraw/zinc/03/91/51/375039151.db2.gz KQWMCWPRHCMPQE-FUHWJXTLSA-N 1 3 290.426 3.489 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC1CCCCC1 ZINC000483247611 375178350 /nfs/dbraw/zinc/17/83/50/375178350.db2.gz NWHJITPXGCHACU-SQNIBIBYSA-N 1 3 294.483 3.140 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000474477355 375113812 /nfs/dbraw/zinc/11/38/12/375113812.db2.gz MJJRUXNSCFSYTF-WMZOPIPTSA-N 1 3 296.499 3.436 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000474479863 375115661 /nfs/dbraw/zinc/11/56/61/375115661.db2.gz SROCKCIOSXBAQC-MHORFTMASA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498840902 375629314 /nfs/dbraw/zinc/62/93/14/375629314.db2.gz ZVTOTGWRJRVDLB-KRWDZBQOSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000498840902 375629318 /nfs/dbraw/zinc/62/93/18/375629318.db2.gz ZVTOTGWRJRVDLB-KRWDZBQOSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000498840902 375629323 /nfs/dbraw/zinc/62/93/23/375629323.db2.gz ZVTOTGWRJRVDLB-KRWDZBQOSA-N 1 3 266.473 3.476 20 0 CGADHO Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000121045413 542015004 /nfs/dbraw/zinc/01/50/04/542015004.db2.gz PJDCYEWGTFYZDH-APPDUMDISA-N 1 3 292.373 3.026 20 0 CGADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000507523283 375711638 /nfs/dbraw/zinc/71/16/38/375711638.db2.gz IJHHARMBTRZRJT-YYIAUSFCSA-N 1 3 262.441 3.172 20 0 CGADHO CC[N@@H+]1CCC[C@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000508132165 375737885 /nfs/dbraw/zinc/73/78/85/375737885.db2.gz QBOITSVMWDSDBC-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO CC[N@H+]1CCC[C@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000508132165 375737893 /nfs/dbraw/zinc/73/78/93/375737893.db2.gz QBOITSVMWDSDBC-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000508132165 375737905 /nfs/dbraw/zinc/73/79/05/375737905.db2.gz QBOITSVMWDSDBC-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO Cc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)s1 ZINC000516348351 375819424 /nfs/dbraw/zinc/81/94/24/375819424.db2.gz TXIORSDWZFHONF-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)s1 ZINC000516348351 375819428 /nfs/dbraw/zinc/81/94/28/375819428.db2.gz TXIORSDWZFHONF-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c(C)s1 ZINC000516348351 375819437 /nfs/dbraw/zinc/81/94/37/375819437.db2.gz TXIORSDWZFHONF-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c(C)s1 ZINC000516348351 375819445 /nfs/dbraw/zinc/81/94/45/375819445.db2.gz TXIORSDWZFHONF-GDBMZVCRSA-N 1 3 278.465 3.281 20 0 CGADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000336684596 375902282 /nfs/dbraw/zinc/90/22/82/375902282.db2.gz SUNKMFTXVWBASF-ZWNOBZJWSA-N 1 3 285.229 3.085 20 0 CGADHO COCCNC1CC[NH+](CCCC2CCCCC2)CC1 ZINC000520590102 375865464 /nfs/dbraw/zinc/86/54/64/375865464.db2.gz RYOHGVDLQLSPEY-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000336604410 375867179 /nfs/dbraw/zinc/86/71/79/375867179.db2.gz YHHAUAFUQPUNMP-LBPRGKRZSA-N 1 3 280.362 3.101 20 0 CGADHO CCc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000534346979 375979737 /nfs/dbraw/zinc/97/97/37/375979737.db2.gz KTOGQBITUBCFLD-UHFFFAOYSA-N 1 3 278.440 3.394 20 0 CGADHO CCc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000534346979 375979743 /nfs/dbraw/zinc/97/97/43/375979743.db2.gz KTOGQBITUBCFLD-UHFFFAOYSA-N 1 3 278.440 3.394 20 0 CGADHO COc1ccc2cc(CNCCC[NH+]3CCC3)ccc2c1 ZINC000535047219 376014233 /nfs/dbraw/zinc/01/42/33/376014233.db2.gz DEVZIJZCMSQXPV-UHFFFAOYSA-N 1 3 284.403 3.034 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccoc1 ZINC000195139504 376082273 /nfs/dbraw/zinc/08/22/73/376082273.db2.gz WPUNREOGJZGVLW-NVXWUHKLSA-N 1 3 284.403 3.452 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536856589 376137223 /nfs/dbraw/zinc/13/72/23/376137223.db2.gz GQCPBLXULCMGJC-XWTMOSNGSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@]1(NCCC[NH+]2CCCC2)CCCc2ccccc21 ZINC000537604662 376179239 /nfs/dbraw/zinc/17/92/39/376179239.db2.gz ADYOHRVBPURUIE-GOSISDBHSA-N 1 3 272.436 3.314 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000537986840 376215882 /nfs/dbraw/zinc/21/58/82/376215882.db2.gz LOBPMGLTZJHDQF-ZBFHGGJFSA-N 1 3 278.465 3.017 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000537986840 376215888 /nfs/dbraw/zinc/21/58/88/376215888.db2.gz LOBPMGLTZJHDQF-ZBFHGGJFSA-N 1 3 278.465 3.017 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777845 376221290 /nfs/dbraw/zinc/22/12/90/376221290.db2.gz GGLIUTLUCSLARH-LXZKKBNFSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OC)cc1 ZINC000221777845 376221296 /nfs/dbraw/zinc/22/12/96/376221296.db2.gz GGLIUTLUCSLARH-LXZKKBNFSA-N 1 3 276.424 3.219 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000221922719 376223888 /nfs/dbraw/zinc/22/38/88/376223888.db2.gz LGUMVHMUDRUBFB-INIZCTEOSA-N 1 3 280.843 3.127 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000221922719 376223892 /nfs/dbraw/zinc/22/38/92/376223892.db2.gz LGUMVHMUDRUBFB-INIZCTEOSA-N 1 3 280.843 3.127 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000221922719 376223894 /nfs/dbraw/zinc/22/38/94/376223894.db2.gz LGUMVHMUDRUBFB-INIZCTEOSA-N 1 3 280.843 3.127 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000221924445 376225441 /nfs/dbraw/zinc/22/54/41/376225441.db2.gz BSKUPISOMBKVSN-KRWDZBQOSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@H](c1ccccc1Cl)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471980 376436249 /nfs/dbraw/zinc/43/62/49/376436249.db2.gz WRDRCQHNHBDGLN-FAXLKDOZSA-N 1 3 278.827 3.460 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000233005724 376595151 /nfs/dbraw/zinc/59/51/51/376595151.db2.gz MMAWXPZCQATARJ-SOUVJXGZSA-N 1 3 250.430 3.077 20 0 CGADHO C[N@@H+]1CCCC12CCN(C[C@@H]1CCc3ccccc3C1)CC2 ZINC000543186079 376615815 /nfs/dbraw/zinc/61/58/15/376615815.db2.gz DPZKMFIUWLBZPQ-QGZVFWFLSA-N 1 3 298.474 3.352 20 0 CGADHO C[N@H+]1CCCC12CCN(C[C@@H]1CCc3ccccc3C1)CC2 ZINC000543186079 376615821 /nfs/dbraw/zinc/61/58/21/376615821.db2.gz DPZKMFIUWLBZPQ-QGZVFWFLSA-N 1 3 298.474 3.352 20 0 CGADHO CN1CCCC12CC[NH+](C[C@@H]1CCc3ccccc3C1)CC2 ZINC000543186079 376615826 /nfs/dbraw/zinc/61/58/26/376615826.db2.gz DPZKMFIUWLBZPQ-QGZVFWFLSA-N 1 3 298.474 3.352 20 0 CGADHO CCCC[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CCC1 ZINC000544415817 376734623 /nfs/dbraw/zinc/73/46/23/376734623.db2.gz UOWUIVPOQJLZTC-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CCC1 ZINC000544415818 376734912 /nfs/dbraw/zinc/73/49/12/376734912.db2.gz UOWUIVPOQJLZTC-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCOC3CCCCCC3)CC[C@@H]21 ZINC000158741111 542144627 /nfs/dbraw/zinc/14/46/27/542144627.db2.gz PKHYUTCUMUQEEA-WMZOPIPTSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCOC3CCCCCC3)CC[C@@H]21 ZINC000158741111 542144631 /nfs/dbraw/zinc/14/46/31/542144631.db2.gz PKHYUTCUMUQEEA-WMZOPIPTSA-N 1 3 294.483 3.142 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246056835 376958656 /nfs/dbraw/zinc/95/86/56/376958656.db2.gz CZTQLOLAELTVPC-RDJZCZTQSA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2ccc(C)cc2C)[C@@H](C)C1 ZINC000246056835 376958661 /nfs/dbraw/zinc/95/86/61/376958661.db2.gz CZTQLOLAELTVPC-RDJZCZTQSA-N 1 3 260.425 3.123 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117038 376969870 /nfs/dbraw/zinc/96/98/70/376969870.db2.gz KCEISXRDGHJTGC-DLBZAZTESA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CC3CCCCCC3)CC[C@H]21 ZINC000246117038 376969872 /nfs/dbraw/zinc/96/98/72/376969872.db2.gz KCEISXRDGHJTGC-DLBZAZTESA-N 1 3 264.457 3.373 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ccncc1F ZINC000340464680 377076517 /nfs/dbraw/zinc/07/65/17/377076517.db2.gz RXHZSLPYHWYTEJ-ZIAGYGMSSA-N 1 3 281.419 3.382 20 0 CGADHO C[C@H](F)CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000340468856 377080817 /nfs/dbraw/zinc/08/08/17/377080817.db2.gz UVEFTIGUTCIRKT-DZOHQFGASA-N 1 3 290.426 3.235 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3sccc32)[C@H](C)C1 ZINC000246955978 377127233 /nfs/dbraw/zinc/12/72/33/377127233.db2.gz HPKOHOORHOCNHI-SNPRPXQTSA-N 1 3 278.465 3.445 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3sccc32)[C@H](C)C1 ZINC000246955978 377127238 /nfs/dbraw/zinc/12/72/38/377127238.db2.gz HPKOHOORHOCNHI-SNPRPXQTSA-N 1 3 278.465 3.445 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2ccccc2)C1 ZINC000247247388 377183726 /nfs/dbraw/zinc/18/37/26/377183726.db2.gz ZHTYDJLQDHECCX-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2ccccc2)C1 ZINC000247247388 377183737 /nfs/dbraw/zinc/18/37/37/377183737.db2.gz ZHTYDJLQDHECCX-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC000247247388 377183747 /nfs/dbraw/zinc/18/37/47/377183747.db2.gz ZHTYDJLQDHECCX-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000247914025 377244194 /nfs/dbraw/zinc/24/41/94/377244194.db2.gz ARMMIZLYUJKYSV-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000247914025 377244201 /nfs/dbraw/zinc/24/42/01/377244201.db2.gz ARMMIZLYUJKYSV-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000248487816 377330627 /nfs/dbraw/zinc/33/06/27/377330627.db2.gz MBGYFBRIBQTETA-PMPSAXMXSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000248487816 377330636 /nfs/dbraw/zinc/33/06/36/377330636.db2.gz MBGYFBRIBQTETA-PMPSAXMXSA-N 1 3 252.446 3.086 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248176143 377277764 /nfs/dbraw/zinc/27/77/64/377277764.db2.gz VPZVTGCOAOBLQQ-SZMVWBNQSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000248176143 377277772 /nfs/dbraw/zinc/27/77/72/377277772.db2.gz VPZVTGCOAOBLQQ-SZMVWBNQSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248176143 377277777 /nfs/dbraw/zinc/27/77/77/377277777.db2.gz VPZVTGCOAOBLQQ-SZMVWBNQSA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248176143 377277781 /nfs/dbraw/zinc/27/77/81/377277781.db2.gz VPZVTGCOAOBLQQ-SZMVWBNQSA-N 1 3 272.436 3.472 20 0 CGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccoc2)[C@@H](C)C1 ZINC000248197993 377280684 /nfs/dbraw/zinc/28/06/84/377280684.db2.gz XSCWMGOCMFYXLQ-ZOBUZTSGSA-N 1 3 294.439 3.067 20 0 CGADHO FCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396964 377306694 /nfs/dbraw/zinc/30/66/94/377306694.db2.gz HNRUIYWLNUKCBM-KZNAEPCWSA-N 1 3 290.426 3.236 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563135166 377408170 /nfs/dbraw/zinc/40/81/70/377408170.db2.gz ISUPNTDYZLMZCE-OAHLLOKOSA-N 1 3 292.854 3.470 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000249094463 377460595 /nfs/dbraw/zinc/46/05/95/377460595.db2.gz VFVOACUJGOYXCK-BZZMCLGOSA-N 1 3 294.483 3.187 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCCCc2ccccc2)C1 ZINC000563422740 377461868 /nfs/dbraw/zinc/46/18/68/377461868.db2.gz BEGWNMMWKLUTNN-IRXDYDNUSA-N 1 3 260.425 3.259 20 0 CGADHO Fc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166665947 542174528 /nfs/dbraw/zinc/17/45/28/542174528.db2.gz NCWYLZYAPIZDPL-DLBZAZTESA-N 1 3 288.410 3.074 20 0 CGADHO Fc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166665947 542174531 /nfs/dbraw/zinc/17/45/31/542174531.db2.gz NCWYLZYAPIZDPL-DLBZAZTESA-N 1 3 288.410 3.074 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000166739487 542175100 /nfs/dbraw/zinc/17/51/00/542175100.db2.gz AMBQDOVDUFUROC-VHDGCEQUSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000166739487 542175104 /nfs/dbraw/zinc/17/51/04/542175104.db2.gz AMBQDOVDUFUROC-VHDGCEQUSA-N 1 3 294.389 3.285 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250124433 377552682 /nfs/dbraw/zinc/55/26/82/377552682.db2.gz VVXBZOIYDDZALW-KZNAEPCWSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC000414943292 249124311 /nfs/dbraw/zinc/12/43/11/249124311.db2.gz FGQDUIHYSYUWDG-UXLLHSPISA-N 1 3 260.425 3.046 20 0 CGADHO Cc1cccc(CC[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414943292 249124314 /nfs/dbraw/zinc/12/43/14/249124314.db2.gz FGQDUIHYSYUWDG-UXLLHSPISA-N 1 3 260.425 3.046 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000250630597 377564072 /nfs/dbraw/zinc/56/40/72/377564072.db2.gz KCCRCVXFHTVWNA-JLJPHGGASA-N 1 3 276.424 3.253 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@H]2C)C1(C)C ZINC000250566704 377564196 /nfs/dbraw/zinc/56/41/96/377564196.db2.gz VICQQYUMOPJCEA-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000250566704 377564206 /nfs/dbraw/zinc/56/42/06/377564206.db2.gz VICQQYUMOPJCEA-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000250566704 377564212 /nfs/dbraw/zinc/56/42/12/377564212.db2.gz VICQQYUMOPJCEA-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574002521 377604847 /nfs/dbraw/zinc/60/48/47/377604847.db2.gz IARINWSRPMJFSE-YOEHRIQHSA-N 1 3 292.492 3.343 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574002521 377604856 /nfs/dbraw/zinc/60/48/56/377604856.db2.gz IARINWSRPMJFSE-YOEHRIQHSA-N 1 3 292.492 3.343 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@H]1C ZINC000251914248 377606297 /nfs/dbraw/zinc/60/62/97/377606297.db2.gz UFGIIYXFMPRHRZ-LJIZCISZSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(CN1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000180392562 542209386 /nfs/dbraw/zinc/20/93/86/542209386.db2.gz YETSTUCVTOKFLE-KRWDZBQOSA-N 1 3 286.463 3.382 20 0 CGADHO CC(C)(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)c1ccccc1 ZINC000180392562 542209390 /nfs/dbraw/zinc/20/93/90/542209390.db2.gz YETSTUCVTOKFLE-KRWDZBQOSA-N 1 3 286.463 3.382 20 0 CGADHO CC(C)(C[N@H+]1CC[C@@H](CN2CCCC2)C1)c1ccccc1 ZINC000180392562 542209393 /nfs/dbraw/zinc/20/93/93/542209393.db2.gz YETSTUCVTOKFLE-KRWDZBQOSA-N 1 3 286.463 3.382 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000252177397 377618044 /nfs/dbraw/zinc/61/80/44/377618044.db2.gz SGMPCEDTIXWXND-LEOABGAYSA-N 1 3 250.430 3.028 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000574170356 377630200 /nfs/dbraw/zinc/63/02/00/377630200.db2.gz NDFOIICMQOMILC-VVLHAWIVSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000342098400 377630773 /nfs/dbraw/zinc/63/07/73/377630773.db2.gz IGMXNIFIVVCMSU-JTQLQIEISA-N 1 3 272.314 3.237 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252513449 377636105 /nfs/dbraw/zinc/63/61/05/377636105.db2.gz QUXNJLCNBOSJNN-BACDZXNISA-N 1 3 264.457 3.418 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NC2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530718 377677433 /nfs/dbraw/zinc/67/74/33/377677433.db2.gz DSWDIKQUQFNUEQ-GJZGRUSLSA-N 1 3 278.827 3.275 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530718 377677442 /nfs/dbraw/zinc/67/74/42/377677442.db2.gz DSWDIKQUQFNUEQ-GJZGRUSLSA-N 1 3 278.827 3.275 20 0 CGADHO C([C@H]1CCCOC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000342717637 377753863 /nfs/dbraw/zinc/75/38/63/377753863.db2.gz ADSLIYOAZYBBKD-QZTJIDSGSA-N 1 3 294.483 3.001 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000261568300 377817923 /nfs/dbraw/zinc/81/79/23/377817923.db2.gz JVAAYDOSNSOIIN-JKSUJKDBSA-N 1 3 260.425 3.171 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261911302 377866724 /nfs/dbraw/zinc/86/67/24/377866724.db2.gz YHZMQDONYMNDLO-ROUUACIJSA-N 1 3 272.436 3.440 20 0 CGADHO c1ccc([C@@H]2CCCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261933402 377869519 /nfs/dbraw/zinc/86/95/19/377869519.db2.gz LVCXTXXQTONJQT-RDJZCZTQSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000261933402 377869522 /nfs/dbraw/zinc/86/95/22/377869522.db2.gz LVCXTXXQTONJQT-RDJZCZTQSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000261933402 377869524 /nfs/dbraw/zinc/86/95/24/377869524.db2.gz LVCXTXXQTONJQT-RDJZCZTQSA-N 1 3 258.409 3.213 20 0 CGADHO CC1CCC(N(C[C@@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262043198 377882435 /nfs/dbraw/zinc/88/24/35/377882435.db2.gz PJCJDKBHPXRKSW-FOIPXRHGSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CN(Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767899 377851285 /nfs/dbraw/zinc/85/12/85/377851285.db2.gz MGVFOLLYUDTRDH-QGZVFWFLSA-N 1 3 260.425 3.144 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000261824813 377856891 /nfs/dbraw/zinc/85/68/91/377856891.db2.gz AWSLQGOTCXPXAU-HKUYNNGSSA-N 1 3 291.398 3.445 20 0 CGADHO Clc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC000343093863 377900787 /nfs/dbraw/zinc/90/07/87/377900787.db2.gz ZURIXCTWIWSNMS-MRXNPFEDSA-N 1 3 278.827 3.403 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262517855 377900773 /nfs/dbraw/zinc/90/07/73/377900773.db2.gz NRBKKLUSZXRXHJ-ZVZYQTTQSA-N 1 3 296.414 3.018 20 0 CGADHO CCCCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000578193360 378046090 /nfs/dbraw/zinc/04/60/90/378046090.db2.gz UESAREVFRGOIRT-KBPBESRZSA-N 1 3 264.413 3.081 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)COC2)CN1CCCC1 ZINC000268894109 378145841 /nfs/dbraw/zinc/14/58/41/378145841.db2.gz VJRGSSCWATUJHR-CABCVRRESA-N 1 3 288.435 3.099 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Sc1ccccc1 ZINC000578668472 378090025 /nfs/dbraw/zinc/09/00/25/378090025.db2.gz DLJAFIUAVWNEFR-HZSPNIEDSA-N 1 3 264.438 3.027 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781230 378193375 /nfs/dbraw/zinc/19/33/75/378193375.db2.gz PFRBSSJFADMKPH-QGZVFWFLSA-N 1 3 288.479 3.410 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781230 378193380 /nfs/dbraw/zinc/19/33/80/378193380.db2.gz PFRBSSJFADMKPH-QGZVFWFLSA-N 1 3 288.479 3.410 20 0 CGADHO C[NH+](C)C[C@H]1CCN(CCc2ccc(C(C)(C)C)cc2)C1 ZINC000579781230 378193385 /nfs/dbraw/zinc/19/33/85/378193385.db2.gz PFRBSSJFADMKPH-QGZVFWFLSA-N 1 3 288.479 3.410 20 0 CGADHO C[C@H]([NH2+]CCCCCOC1CCCCC1)[C@H]1CCCNC1 ZINC000579825072 378198489 /nfs/dbraw/zinc/19/84/89/378198489.db2.gz HGPVXTMUFZEXSP-IRXDYDNUSA-N 1 3 296.499 3.484 20 0 CGADHO CN1CC=C(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000345148401 378205410 /nfs/dbraw/zinc/20/54/10/378205410.db2.gz WVAAHBVLUUWZBB-UHFFFAOYSA-N 1 3 272.417 3.253 20 0 CGADHO Fc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000344031280 378155734 /nfs/dbraw/zinc/15/57/34/378155734.db2.gz HFWHQXISVWDFNJ-SCLBCKFNSA-N 1 3 288.410 3.277 20 0 CGADHO Fc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000344031280 378155740 /nfs/dbraw/zinc/15/57/40/378155740.db2.gz HFWHQXISVWDFNJ-SCLBCKFNSA-N 1 3 288.410 3.277 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000271912254 378514531 /nfs/dbraw/zinc/51/45/31/378514531.db2.gz YCTJJKJFWRKREW-ZWKOTPCHSA-N 1 3 288.410 3.313 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000346577667 378631448 /nfs/dbraw/zinc/63/14/48/378631448.db2.gz RBIWUQMXEGRHBI-CZUORRHYSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCCNCc2cccc(F)c2N)C1 ZINC000638367794 378781022 /nfs/dbraw/zinc/78/10/22/378781022.db2.gz YCLUXYDTRGHKML-CQSZACIVSA-N 1 3 293.430 3.010 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cccc(F)c2N)C1 ZINC000638367794 378781029 /nfs/dbraw/zinc/78/10/29/378781029.db2.gz YCLUXYDTRGHKML-CQSZACIVSA-N 1 3 293.430 3.010 20 0 CGADHO Cc1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sn1 ZINC000638371242 378782413 /nfs/dbraw/zinc/78/24/13/378782413.db2.gz PAZLHPCMBOPERN-KBPBESRZSA-N 1 3 295.496 3.299 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784744 218012078 /nfs/dbraw/zinc/01/20/78/218012078.db2.gz YJGSQYBONIURLL-QWQRMKEZSA-N 1 3 283.419 3.053 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638566912 378838441 /nfs/dbraw/zinc/83/84/41/378838441.db2.gz RPGYABNQZBFGEE-MRXNPFEDSA-N 1 3 299.462 3.388 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000274729166 378884243 /nfs/dbraw/zinc/88/42/43/378884243.db2.gz BOQWEJGGCORSEK-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000348326294 378911151 /nfs/dbraw/zinc/91/11/51/378911151.db2.gz MODMKGUFXAADMB-UHFFFAOYSA-N 1 3 256.409 3.121 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCC2(F)CCC2)CC1 ZINC000348326294 378911159 /nfs/dbraw/zinc/91/11/59/378911159.db2.gz MODMKGUFXAADMB-UHFFFAOYSA-N 1 3 256.409 3.121 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1cncs1 ZINC000411552268 284728650 /nfs/dbraw/zinc/72/86/50/284728650.db2.gz PEBNEFNCHIBRRF-ZBFHGGJFSA-N 1 3 295.496 3.176 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000347059553 218108607 /nfs/dbraw/zinc/10/86/07/218108607.db2.gz XJJWRXLALUZFPY-LBPRGKRZSA-N 1 3 290.407 3.335 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348533713 378979935 /nfs/dbraw/zinc/97/99/35/378979935.db2.gz LJIJUHVTKYVWFS-XSWJXKHESA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348533713 378979939 /nfs/dbraw/zinc/97/99/39/378979939.db2.gz LJIJUHVTKYVWFS-XSWJXKHESA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348533713 378979945 /nfs/dbraw/zinc/97/99/45/378979945.db2.gz LJIJUHVTKYVWFS-XSWJXKHESA-N 1 3 288.435 3.014 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000347111866 218126773 /nfs/dbraw/zinc/12/67/73/218126773.db2.gz QCQYUCVOKBMFPV-LBPRGKRZSA-N 1 3 290.407 3.335 20 0 CGADHO CO[C@H](C[N@@H+]1CCCC12CCN(C)CC2)C1CCCCC1 ZINC000639080812 379006693 /nfs/dbraw/zinc/00/66/93/379006693.db2.gz DDRHKQISXMKFSF-QGZVFWFLSA-N 1 3 294.483 3.142 20 0 CGADHO CO[C@H](C[N@H+]1CCCC12CCN(C)CC2)C1CCCCC1 ZINC000639080812 379006696 /nfs/dbraw/zinc/00/66/96/379006696.db2.gz DDRHKQISXMKFSF-QGZVFWFLSA-N 1 3 294.483 3.142 20 0 CGADHO CCCN(Cc1ccc(OC(F)F)cc1)C1CC[NH2+]CC1 ZINC000347128376 218131154 /nfs/dbraw/zinc/13/11/54/218131154.db2.gz PGNZPCLBQRXVFW-UHFFFAOYSA-N 1 3 298.377 3.252 20 0 CGADHO CCC[N@H+](Cc1ccc(OC(F)F)cc1)C1CCNCC1 ZINC000347128376 218131155 /nfs/dbraw/zinc/13/11/55/218131155.db2.gz PGNZPCLBQRXVFW-UHFFFAOYSA-N 1 3 298.377 3.252 20 0 CGADHO CCC[N@@H+](Cc1ccc(OC(F)F)cc1)C1CCNCC1 ZINC000347128376 218131157 /nfs/dbraw/zinc/13/11/57/218131157.db2.gz PGNZPCLBQRXVFW-UHFFFAOYSA-N 1 3 298.377 3.252 20 0 CGADHO CCCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370687750 379055730 /nfs/dbraw/zinc/05/57/30/379055730.db2.gz DQCUFADWWJPTEA-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000277023657 379047735 /nfs/dbraw/zinc/04/77/35/379047735.db2.gz APXSIRBVHDAJLF-GOSISDBHSA-N 1 3 272.436 3.091 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000277023657 379047739 /nfs/dbraw/zinc/04/77/39/379047739.db2.gz APXSIRBVHDAJLF-GOSISDBHSA-N 1 3 272.436 3.091 20 0 CGADHO CC1([NH+]2CCCC2)CCN(CC2CCCC2)CC1 ZINC000639374745 379331582 /nfs/dbraw/zinc/33/15/82/379331582.db2.gz KNEPXSIZVAXIDI-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC1(N2CCCC2)CC[NH+](CC2CCCC2)CC1 ZINC000639374745 379331594 /nfs/dbraw/zinc/33/15/94/379331594.db2.gz KNEPXSIZVAXIDI-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO Cc1ccccc1[C@@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278341023 379353959 /nfs/dbraw/zinc/35/39/59/379353959.db2.gz AHURLXQSSNVKQN-DLBZAZTESA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccccc1[C@@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278341023 379353967 /nfs/dbraw/zinc/35/39/67/379353967.db2.gz AHURLXQSSNVKQN-DLBZAZTESA-N 1 3 290.451 3.147 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684772 379546117 /nfs/dbraw/zinc/54/61/17/379546117.db2.gz YMNANJJPDQSMLJ-AWEZNQCLSA-N 1 3 297.393 3.275 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684772 379546124 /nfs/dbraw/zinc/54/61/24/379546124.db2.gz YMNANJJPDQSMLJ-AWEZNQCLSA-N 1 3 297.393 3.275 20 0 CGADHO CN1CCCC[C@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639980427 379671950 /nfs/dbraw/zinc/67/19/50/379671950.db2.gz XGGSJMXQFMVMRH-INIZCTEOSA-N 1 3 296.524 3.470 20 0 CGADHO COc1ccc(CN(CCC[NH3+])CC2CCCC2)cc1F ZINC000352487540 379834238 /nfs/dbraw/zinc/83/42/38/379834238.db2.gz GBEUXKJGEHKYFQ-UHFFFAOYSA-N 1 3 294.414 3.175 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(OCC(F)F)cc1 ZINC000352540012 379848278 /nfs/dbraw/zinc/84/82/78/379848278.db2.gz GCDIKKWAIFCLDM-CQSZACIVSA-N 1 3 298.377 3.034 20 0 CGADHO CCc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000347874704 218385055 /nfs/dbraw/zinc/38/50/55/218385055.db2.gz WBYHNIDWSQUPBX-UHFFFAOYSA-N 1 3 289.467 3.198 20 0 CGADHO Cc1ccc(C[C@@H](NC[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502016 380324851 /nfs/dbraw/zinc/32/48/51/380324851.db2.gz VWUHKHNYQLBPBM-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1ccc(CCC[NH2+][C@@H]2CCNCC[C@@H]2C)c(C)c1 ZINC000643457078 380308531 /nfs/dbraw/zinc/30/85/31/380308531.db2.gz PJPQNRSIVXSNDV-MAUKXSAKSA-N 1 3 274.452 3.214 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H]1CCCNC1 ZINC000643458024 380310151 /nfs/dbraw/zinc/31/01/51/380310151.db2.gz QRYXJJMMQONFBJ-QUSNUVHPSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548446 380364547 /nfs/dbraw/zinc/36/45/47/380364547.db2.gz PLEPTNXHCWZZRW-RDBSUJKOSA-N 1 3 250.430 3.075 20 0 CGADHO C1CC1[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643549048 380366444 /nfs/dbraw/zinc/36/64/44/380366444.db2.gz ZKUYDNATRJFKQM-HOTGVXAUSA-N 1 3 262.441 3.220 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643549007 380366873 /nfs/dbraw/zinc/36/68/73/380366873.db2.gz YYJNFFRTRBCABD-KKUMJFAQSA-N 1 3 252.446 3.466 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(OC)cc2)C[C@@H]1C ZINC000354226436 380369849 /nfs/dbraw/zinc/36/98/49/380369849.db2.gz WDRGZNXFHQNMOI-DOTOQJQBSA-N 1 3 290.451 3.042 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(OC)cc2)C[C@@H]1C ZINC000354226436 380369851 /nfs/dbraw/zinc/36/98/51/380369851.db2.gz WDRGZNXFHQNMOI-DOTOQJQBSA-N 1 3 290.451 3.042 20 0 CGADHO CC[N@H+](CC1CCCCCC1)[C@@H]1CCCNCC1 ZINC000414713126 380385660 /nfs/dbraw/zinc/38/56/60/380385660.db2.gz KBVDXLYODUUEOK-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO CC[N@@H+](CC1CCCCCC1)[C@@H]1CCCNCC1 ZINC000414713126 380385664 /nfs/dbraw/zinc/38/56/64/380385664.db2.gz KBVDXLYODUUEOK-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000643535179 380350928 /nfs/dbraw/zinc/35/09/28/380350928.db2.gz JWMCYZYGWNIQCU-IAQYHMDHSA-N 1 3 287.432 3.089 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643545687 380357667 /nfs/dbraw/zinc/35/76/67/380357667.db2.gz AKXZXBYWDAKEJI-HOTGVXAUSA-N 1 3 258.409 3.402 20 0 CGADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546613 380359735 /nfs/dbraw/zinc/35/97/35/380359735.db2.gz RTEFRBIVEVKXNJ-CABCVRRESA-N 1 3 258.409 3.320 20 0 CGADHO Cc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000414812799 380423704 /nfs/dbraw/zinc/42/37/04/380423704.db2.gz RUIJDOXLKVNJRF-ZDUSSCGKSA-N 1 3 272.367 3.444 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414822557 380432543 /nfs/dbraw/zinc/43/25/43/380432543.db2.gz AMGZYEIKWITOMS-VNHYZAJKSA-N 1 3 266.454 3.047 20 0 CGADHO c1ccc(C[C@@H]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000414829095 380438636 /nfs/dbraw/zinc/43/86/36/380438636.db2.gz NBVIFPSOIYNNAQ-QWJAOUKZSA-N 1 3 284.447 3.270 20 0 CGADHO CC[C@@H](CNCC1([NH3+])CCCCC1)c1ccccc1 ZINC000414833373 380442155 /nfs/dbraw/zinc/44/21/55/380442155.db2.gz AOXCULXUMJLEDA-HNNXBMFYSA-N 1 3 260.425 3.431 20 0 CGADHO CC[NH2+]CCNCC1CCC(c2ccccc2)CC1 ZINC000414842521 380448076 /nfs/dbraw/zinc/44/80/76/380448076.db2.gz IQJFPLHIWCJXGL-UHFFFAOYSA-N 1 3 260.425 3.160 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414844470 380449742 /nfs/dbraw/zinc/44/97/42/380449742.db2.gz RLCWXCPEXNUMKD-NOLJZWGESA-N 1 3 280.843 3.421 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414844470 380449745 /nfs/dbraw/zinc/44/97/45/380449745.db2.gz RLCWXCPEXNUMKD-NOLJZWGESA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](NCc1cccc(-c2cccnc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414852642 380453260 /nfs/dbraw/zinc/45/32/60/380453260.db2.gz KEUNHPRPDOVWGF-QAPCUYQASA-N 1 3 295.430 3.226 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000414854019 380455493 /nfs/dbraw/zinc/45/54/93/380455493.db2.gz LSXNDUADGOKMBP-NXHRZFHOSA-N 1 3 272.436 3.086 20 0 CGADHO c1ccc(CC(Cc2ccccc2)[NH2+]C2CCNCC2)cc1 ZINC000414779387 380400620 /nfs/dbraw/zinc/40/06/20/380400620.db2.gz JODLGPIHQDZTPA-UHFFFAOYSA-N 1 3 294.442 3.182 20 0 CGADHO c1ccc(CC(Cc2ccccc2)NC2CC[NH2+]CC2)cc1 ZINC000414779387 380400627 /nfs/dbraw/zinc/40/06/27/380400627.db2.gz JODLGPIHQDZTPA-UHFFFAOYSA-N 1 3 294.442 3.182 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)CCc1ccc(Cl)s1 ZINC000414796232 380410392 /nfs/dbraw/zinc/41/03/92/380410392.db2.gz NYAGEDLTVBVBPK-ZYHUDNBSSA-N 1 3 274.861 3.296 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000414795887 380410597 /nfs/dbraw/zinc/41/05/97/380410597.db2.gz XNVVPTRYAVUMRV-FUHWJXTLSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414811066 380422765 /nfs/dbraw/zinc/42/27/65/380422765.db2.gz WAIRPLLCTMUNMB-UTUOFQBUSA-N 1 3 266.351 3.215 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414912951 380487428 /nfs/dbraw/zinc/48/74/28/380487428.db2.gz ZBYCJUNVBLLWJC-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1ccc(CCC[NH2+]Cc2cccc(CN(C)C)c2)cn1 ZINC000354572396 380490446 /nfs/dbraw/zinc/49/04/46/380490446.db2.gz QMZYSEDHNDUQRS-UHFFFAOYSA-N 1 3 297.446 3.174 20 0 CGADHO CCSc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414927977 380491261 /nfs/dbraw/zinc/49/12/61/380491261.db2.gz PSFUBFXMPYLQIG-ZIAGYGMSSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414934683 380495556 /nfs/dbraw/zinc/49/55/56/380495556.db2.gz FLCKTXGOQOJVOX-BGTYHANMSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414938237 380497333 /nfs/dbraw/zinc/49/73/33/380497333.db2.gz IDAKNMPJTOCACR-ZMSDIMECSA-N 1 3 274.452 3.330 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000414945182 380499844 /nfs/dbraw/zinc/49/98/44/380499844.db2.gz RCVLOOXGXWSFJS-DKIMLUQUSA-N 1 3 272.436 3.219 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414944705 380500287 /nfs/dbraw/zinc/50/02/87/380500287.db2.gz QGUGPHUYBBVKAH-IZIZEDOESA-N 1 3 286.463 3.475 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000414969747 380502783 /nfs/dbraw/zinc/50/27/83/380502783.db2.gz JKAMLAUUDHHUHJ-OAHLLOKOSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@H](N)CC(C)C)c(C)s1 ZINC000415126712 380508826 /nfs/dbraw/zinc/50/88/26/380508826.db2.gz UYODWUJLKHEDHO-DGCLKSJQSA-N 1 3 254.443 3.389 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCNC1 ZINC000414858607 380460485 /nfs/dbraw/zinc/46/04/85/380460485.db2.gz SDMWIQFPUGVSKJ-NEPJUHHUSA-N 1 3 286.872 3.312 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NC[C@H]1CCC[NH2+]C1 ZINC000414858607 380460493 /nfs/dbraw/zinc/46/04/93/380460493.db2.gz SDMWIQFPUGVSKJ-NEPJUHHUSA-N 1 3 286.872 3.312 20 0 CGADHO CC[C@H](C[NH2+][C@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000414860801 380460764 /nfs/dbraw/zinc/46/07/64/380460764.db2.gz VUHLFTFRTKTZNF-INMHGKMJSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](CNCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000414864018 380463937 /nfs/dbraw/zinc/46/39/37/380463937.db2.gz YNWJRMIOLFWNMC-HNNXBMFYSA-N 1 3 260.425 3.431 20 0 CGADHO Cc1ccc(-c2ccc(CNC[C@H](C)C[NH3+])s2)cc1 ZINC000414874209 380468285 /nfs/dbraw/zinc/46/82/85/380468285.db2.gz INMBVWZVZJZINO-CYBMUJFWSA-N 1 3 274.433 3.408 20 0 CGADHO C[C@@]1(CNCc2cccc3ccccc32)CCC[NH2+]C1 ZINC000414896458 380477860 /nfs/dbraw/zinc/47/78/60/380477860.db2.gz BXCUEWSFLJOKPK-GOSISDBHSA-N 1 3 268.404 3.319 20 0 CGADHO C[C@@]1(C[NH2+]Cc2cccc3ccccc32)CCCNC1 ZINC000414896458 380477863 /nfs/dbraw/zinc/47/78/63/380477863.db2.gz BXCUEWSFLJOKPK-GOSISDBHSA-N 1 3 268.404 3.319 20 0 CGADHO N[C@@H](C[NH2+]Cc1ccc(F)c(-c2cccs2)c1)C1CC1 ZINC000414897254 380478409 /nfs/dbraw/zinc/47/84/09/380478409.db2.gz QWOMZICNHWIETC-HNNXBMFYSA-N 1 3 290.407 3.381 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+]C[C@]1(C)CCCNC1 ZINC000414900245 380480288 /nfs/dbraw/zinc/48/02/88/380480288.db2.gz ICVMHUFOBPEDEZ-SJLPKXTDSA-N 1 3 274.452 3.235 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]C[C@]2(C)CCCNC2)c1 ZINC000414900673 380481443 /nfs/dbraw/zinc/48/14/43/380481443.db2.gz FCOPHSSNAYTOGL-FUHWJXTLSA-N 1 3 274.452 3.295 20 0 CGADHO C[N@H+](CC1CCC1)CC1CCN(c2ccncc2)CC1 ZINC000354885238 380563262 /nfs/dbraw/zinc/56/32/62/380563262.db2.gz UDJSNZCBWFDLDZ-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO C[N@@H+](CC1CCC1)CC1CCN(c2ccncc2)CC1 ZINC000354885238 380563268 /nfs/dbraw/zinc/56/32/68/380563268.db2.gz UDJSNZCBWFDLDZ-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(OCCN(C)C)cc1 ZINC000417344299 380599911 /nfs/dbraw/zinc/59/99/11/380599911.db2.gz VUKDPXCJGXZHAK-ZBFHGGJFSA-N 1 3 288.435 3.078 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CC23CC3)CC1 ZINC000417366527 380611598 /nfs/dbraw/zinc/61/15/98/380611598.db2.gz OWRWFGBUNQDCQO-BFYDXBDKSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CC23CC3)CC1 ZINC000417366527 380611602 /nfs/dbraw/zinc/61/16/02/380611602.db2.gz OWRWFGBUNQDCQO-BFYDXBDKSA-N 1 3 276.468 3.419 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000358409656 381310489 /nfs/dbraw/zinc/31/04/89/381310489.db2.gz WTUQQCQLGXQRGF-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358409656 381310491 /nfs/dbraw/zinc/31/04/91/381310491.db2.gz WTUQQCQLGXQRGF-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000358409656 381310493 /nfs/dbraw/zinc/31/04/93/381310493.db2.gz WTUQQCQLGXQRGF-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000361973896 381878964 /nfs/dbraw/zinc/87/89/64/381878964.db2.gz ZCVVBRSLHJVVSI-AHIWAGSCSA-N 1 3 276.399 3.275 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000361973899 381879041 /nfs/dbraw/zinc/87/90/41/381879041.db2.gz ZCVVBRSLHJVVSI-XNJGSVPQSA-N 1 3 276.399 3.275 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@@H]2CCCC[C@@H]21 ZINC000363753330 382252311 /nfs/dbraw/zinc/25/23/11/382252311.db2.gz TUUOLNBHIBRQFE-BPKGMFCQSA-N 1 3 276.468 3.418 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000245642663 542322637 /nfs/dbraw/zinc/32/26/37/542322637.db2.gz DXBYOSXHOGQKEH-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000245642663 542322641 /nfs/dbraw/zinc/32/26/41/542322641.db2.gz DXBYOSXHOGQKEH-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000245642663 542322646 /nfs/dbraw/zinc/32/26/46/542322646.db2.gz DXBYOSXHOGQKEH-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000245642663 542322651 /nfs/dbraw/zinc/32/26/51/542322651.db2.gz DXBYOSXHOGQKEH-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000368479576 382374380 /nfs/dbraw/zinc/37/43/80/382374380.db2.gz VCQJBZZLZFHJLT-CGTJXYLNSA-N 1 3 285.435 3.076 20 0 CGADHO CSc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1F ZINC000423342399 533004439 /nfs/dbraw/zinc/00/44/39/533004439.db2.gz KWJWQFITVSRZHO-NSHDSACASA-N 1 3 280.412 3.118 20 0 CGADHO C[C@H]1CC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335412724 208399507 /nfs/dbraw/zinc/39/95/07/208399507.db2.gz ADJKKPZNMVPFHW-XJKSGUPXSA-N 1 3 250.430 3.172 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000350510715 219031909 /nfs/dbraw/zinc/03/19/09/219031909.db2.gz IOFYWDSWYFXVAQ-ZWKOTPCHSA-N 1 3 272.436 3.069 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC1 ZINC000350510715 219031911 /nfs/dbraw/zinc/03/19/11/219031911.db2.gz IOFYWDSWYFXVAQ-ZWKOTPCHSA-N 1 3 272.436 3.069 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000282121595 285150792 /nfs/dbraw/zinc/15/07/92/285150792.db2.gz JOBJRTICUDGOBY-ZWKOTPCHSA-N 1 3 290.451 3.043 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000423400450 533198211 /nfs/dbraw/zinc/19/82/11/533198211.db2.gz VKIQVHWKAXJICU-BFYDXBDKSA-N 1 3 276.424 3.252 20 0 CGADHO COC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCCC1 ZINC000446750210 285399271 /nfs/dbraw/zinc/39/92/71/285399271.db2.gz FWSWJRNSBYZCBN-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446750210 285399272 /nfs/dbraw/zinc/39/92/72/285399272.db2.gz FWSWJRNSBYZCBN-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@H](NCCC[N@H+]1CCCC[C@@H]1C)C1CCCC1 ZINC000446750210 285399273 /nfs/dbraw/zinc/39/92/73/285399273.db2.gz FWSWJRNSBYZCBN-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](NCC(C)(C)[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000423286275 533351943 /nfs/dbraw/zinc/35/19/43/533351943.db2.gz GJJJTRJFGAAQQR-WDEREUQCSA-N 1 3 254.805 3.159 20 0 CGADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000480788269 533358253 /nfs/dbraw/zinc/35/82/53/533358253.db2.gz QXUNUMULMCHEJW-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cc2c(s1)CCCC2 ZINC000423322661 533429784 /nfs/dbraw/zinc/42/97/84/533429784.db2.gz OCAOCOOFNZAJHJ-MFKMUULPSA-N 1 3 264.438 3.015 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365001538 533438835 /nfs/dbraw/zinc/43/88/35/533438835.db2.gz MYPLUORZGVIJKP-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365001538 533438842 /nfs/dbraw/zinc/43/88/42/533438842.db2.gz MYPLUORZGVIJKP-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC000380768844 542595629 /nfs/dbraw/zinc/59/56/29/542595629.db2.gz RGRACIDVUZBGHP-ROUUACIJSA-N 1 3 270.420 3.125 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC000380768844 542595633 /nfs/dbraw/zinc/59/56/33/542595633.db2.gz RGRACIDVUZBGHP-ROUUACIJSA-N 1 3 270.420 3.125 20 0 CGADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(C3CC3)cc1)C2 ZINC000380768844 542595637 /nfs/dbraw/zinc/59/56/37/542595637.db2.gz RGRACIDVUZBGHP-ROUUACIJSA-N 1 3 270.420 3.125 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392197930 542612270 /nfs/dbraw/zinc/61/22/70/542612270.db2.gz VMKPUJFSTSQGFJ-DJIMGWMZSA-N 1 3 264.457 3.299 20 0 CGADHO CC(C)(CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133076 542628113 /nfs/dbraw/zinc/62/81/13/542628113.db2.gz XYEZSWHVRZOERN-HOCLYGCPSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCCCC2)C1 ZINC000048068352 391993516 /nfs/dbraw/zinc/99/35/16/391993516.db2.gz PMCICUXULSLQNA-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000361803609 392326868 /nfs/dbraw/zinc/32/68/68/392326868.db2.gz HPJGYNZZYWVEIH-HNAYVOBHSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2cccnc2)cc1 ZINC000361803609 392326875 /nfs/dbraw/zinc/32/68/75/392326875.db2.gz HPJGYNZZYWVEIH-HNAYVOBHSA-N 1 3 295.430 3.178 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000249378458 131120766 /nfs/dbraw/zinc/12/07/66/131120766.db2.gz NXEGCARUFVFBSK-VXGBXAGGSA-N 1 3 284.806 3.472 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000249379582 131121466 /nfs/dbraw/zinc/12/14/66/131121466.db2.gz PLHBWNIMAACWLS-MNOVXSKESA-N 1 3 272.845 3.394 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000111695708 392381328 /nfs/dbraw/zinc/38/13/28/392381328.db2.gz SNJWBCUCAALJFI-RHSMWYFYSA-N 1 3 260.425 3.369 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000367093059 392472053 /nfs/dbraw/zinc/47/20/53/392472053.db2.gz IXYBPMTUZNBUKL-XSLAGTTESA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000367093059 392472057 /nfs/dbraw/zinc/47/20/57/392472057.db2.gz IXYBPMTUZNBUKL-XSLAGTTESA-N 1 3 284.447 3.457 20 0 CGADHO CC(C)[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000372065058 392580314 /nfs/dbraw/zinc/58/03/14/392580314.db2.gz ATLMTPOLXXLPTN-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000372065058 392580317 /nfs/dbraw/zinc/58/03/17/392580317.db2.gz ATLMTPOLXXLPTN-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO Cc1cc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000302574840 392617632 /nfs/dbraw/zinc/61/76/32/392617632.db2.gz QPLXCLUFQMTWGZ-KRWDZBQOSA-N 1 3 287.451 3.338 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000156461071 392547653 /nfs/dbraw/zinc/54/76/53/392547653.db2.gz JFZOXKHAPUYHAS-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1 ZINC000156461071 392547657 /nfs/dbraw/zinc/54/76/57/392547657.db2.gz JFZOXKHAPUYHAS-CVEARBPZSA-N 1 3 275.440 3.244 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000173908356 392630504 /nfs/dbraw/zinc/63/05/04/392630504.db2.gz JCDWWSZJBRWNAL-WBVHZDCISA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000173908356 392630509 /nfs/dbraw/zinc/63/05/09/392630509.db2.gz JCDWWSZJBRWNAL-WBVHZDCISA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@@H](c1ccccc1)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000173908356 392630513 /nfs/dbraw/zinc/63/05/13/392630513.db2.gz JCDWWSZJBRWNAL-WBVHZDCISA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@@H](c1ccccc1)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173908356 392630516 /nfs/dbraw/zinc/63/05/16/392630516.db2.gz JCDWWSZJBRWNAL-WBVHZDCISA-N 1 3 260.425 3.411 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000647288714 392638435 /nfs/dbraw/zinc/63/84/35/392638435.db2.gz LTDRHQPSTKUDDP-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288714 392638439 /nfs/dbraw/zinc/63/84/39/392638439.db2.gz LTDRHQPSTKUDDP-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H](C)CCc2ccccc2)CC[C@@H]1N ZINC000647499108 392742419 /nfs/dbraw/zinc/74/24/19/392742419.db2.gz ZNPBSZWFGRNXRQ-NXHRZFHOSA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H](C)CCc2ccccc2)CC[C@@H]1N ZINC000647499108 392742423 /nfs/dbraw/zinc/74/24/23/392742423.db2.gz ZNPBSZWFGRNXRQ-NXHRZFHOSA-N 1 3 274.452 3.315 20 0 CGADHO CC[C@@H]1CN(C[C@H](C)CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647499108 392742425 /nfs/dbraw/zinc/74/24/25/392742425.db2.gz ZNPBSZWFGRNXRQ-NXHRZFHOSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)[C@@H](CN1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000647530952 392751558 /nfs/dbraw/zinc/75/15/58/392751558.db2.gz RBHIOWXWUWKSNO-MRXNPFEDSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)[C@@H](C[NH+]1CCC(C)(N)CC1)c1ccccc1 ZINC000647530952 392751567 /nfs/dbraw/zinc/75/15/67/392751567.db2.gz RBHIOWXWUWKSNO-MRXNPFEDSA-N 1 3 260.425 3.239 20 0 CGADHO Fc1ccccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543295 392760941 /nfs/dbraw/zinc/76/09/41/392760941.db2.gz KQKNZIJJSSEGFE-HUUCEWRRSA-N 1 3 276.399 3.037 20 0 CGADHO FC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000647803779 392805146 /nfs/dbraw/zinc/80/51/46/392805146.db2.gz BQCVVKKFYHVPTB-IRKLFDGPSA-N 1 3 282.447 3.415 20 0 CGADHO CCN(Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000647878597 392820156 /nfs/dbraw/zinc/82/01/56/392820156.db2.gz SMYVBTIYSCCLEC-INIZCTEOSA-N 1 3 268.404 3.271 20 0 CGADHO Fc1cccc(CN(C[C@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647879559 392821476 /nfs/dbraw/zinc/82/14/76/392821476.db2.gz PBSFQRJCRJAVND-HNNXBMFYSA-N 1 3 276.399 3.180 20 0 CGADHO Fc1ccc(CCN(C[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647891429 392829109 /nfs/dbraw/zinc/82/91/09/392829109.db2.gz BDOPVEPSITXXQU-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO C[NH+]1CCC2(CC1)CN(CCCC1CCCCC1)CCO2 ZINC000648072177 392904922 /nfs/dbraw/zinc/90/49/22/392904922.db2.gz QENUXKIELAGPCY-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811453 392869608 /nfs/dbraw/zinc/86/96/08/392869608.db2.gz NBIRLOUHJTUPEV-FHIRATQRSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000336811453 392869612 /nfs/dbraw/zinc/86/96/12/392869612.db2.gz NBIRLOUHJTUPEV-FHIRATQRSA-N 1 3 258.409 3.307 20 0 CGADHO C[C@H](CCN1CC[C@H](C2CC2)C1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491242811 542717290 /nfs/dbraw/zinc/71/72/90/542717290.db2.gz IWDRQSHIJIVOBA-JLSDUUJJSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CCN1CC[C@H](C2CC2)C1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000491242811 542717294 /nfs/dbraw/zinc/71/72/94/542717294.db2.gz IWDRQSHIJIVOBA-JLSDUUJJSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@H](C2CC2)C1)N1CC[C@H](C2CC2)C1 ZINC000491242811 542717297 /nfs/dbraw/zinc/71/72/97/542717297.db2.gz IWDRQSHIJIVOBA-JLSDUUJJSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@H](C2CC2)C1)N1CC[C@H](C2CC2)C1 ZINC000491242811 542717301 /nfs/dbraw/zinc/71/73/01/542717301.db2.gz IWDRQSHIJIVOBA-JLSDUUJJSA-N 1 3 276.468 3.229 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000525991057 392953128 /nfs/dbraw/zinc/95/31/28/392953128.db2.gz AJVXQQPYVIQVCK-AWEZNQCLSA-N 1 3 282.378 3.446 20 0 CGADHO CC(C)O[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000462804632 392968833 /nfs/dbraw/zinc/96/88/33/392968833.db2.gz MBVCJVSNJHIUMT-GJZGRUSLSA-N 1 3 296.499 3.477 20 0 CGADHO CC(C)O[C@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000462804632 392968836 /nfs/dbraw/zinc/96/88/36/392968836.db2.gz MBVCJVSNJHIUMT-GJZGRUSLSA-N 1 3 296.499 3.477 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000648438682 393017194 /nfs/dbraw/zinc/01/71/94/393017194.db2.gz ZOXDKOGRHZQXGR-ROUUACIJSA-N 1 3 294.483 3.188 20 0 CGADHO COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248402326 393086827 /nfs/dbraw/zinc/08/68/27/393086827.db2.gz NDTIQGMJQXZLLA-JYJNAYRXSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000415012615 393094776 /nfs/dbraw/zinc/09/47/76/393094776.db2.gz SVNBYGIIYYKDPR-MNOVXSKESA-N 1 3 278.396 3.380 20 0 CGADHO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346825178 393096242 /nfs/dbraw/zinc/09/62/42/393096242.db2.gz AURMRIDESFZOTM-WBVHZDCISA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H]1CCCNC1 ZINC000346825178 393096248 /nfs/dbraw/zinc/09/62/48/393096248.db2.gz AURMRIDESFZOTM-WBVHZDCISA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@@H](C)N(Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346825178 393096251 /nfs/dbraw/zinc/09/62/51/393096251.db2.gz AURMRIDESFZOTM-WBVHZDCISA-N 1 3 260.425 3.287 20 0 CGADHO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CCCNC1 ZINC000414828012 393053992 /nfs/dbraw/zinc/05/39/92/393053992.db2.gz YRRYPQDGYDRBJD-ZSVAQUKISA-N 1 3 278.362 3.085 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)C[NH3+] ZINC000414921416 393059194 /nfs/dbraw/zinc/05/91/94/393059194.db2.gz BFORNCKTSLUGLU-SKDRFNHKSA-N 1 3 275.223 3.251 20 0 CGADHO Cc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415038230 393106724 /nfs/dbraw/zinc/10/67/24/393106724.db2.gz HUESOZKICWXJNL-ROUUACIJSA-N 1 3 272.436 3.267 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414952023 393060846 /nfs/dbraw/zinc/06/08/46/393060846.db2.gz QKPNUEWDSNIOFD-OIISXLGYSA-N 1 3 260.425 3.046 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000414951077 393061596 /nfs/dbraw/zinc/06/15/96/393061596.db2.gz GSGBKJUODZLGCI-CZUORRHYSA-N 1 3 260.425 3.072 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246918461 393066465 /nfs/dbraw/zinc/06/64/65/393066465.db2.gz GHIKIELIIQGJPV-GJZGRUSLSA-N 1 3 282.472 3.043 20 0 CGADHO Cc1cc(F)c(CNCCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414961580 393068010 /nfs/dbraw/zinc/06/80/10/393068010.db2.gz ISFPGNDQLMDNJF-GFCCVEGCSA-N 1 3 284.806 3.409 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000414976536 393074497 /nfs/dbraw/zinc/07/44/97/393074497.db2.gz ICXGKHUEKKSGSD-MRXNPFEDSA-N 1 3 284.403 3.189 20 0 CGADHO Cc1ccc(C)c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052295 393114706 /nfs/dbraw/zinc/11/47/06/393114706.db2.gz NCSSDVKRKNKJAY-SJLPKXTDSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]CCCNC2CC2)c1 ZINC000415067665 393125718 /nfs/dbraw/zinc/12/57/18/393125718.db2.gz KTLNZSWABAGPHL-HNNXBMFYSA-N 1 3 260.425 3.048 20 0 CGADHO CC(C)(C)c1ncc(C[NH2+][C@H](CN)C2CCCC2)s1 ZINC000415068853 393126313 /nfs/dbraw/zinc/12/63/13/393126313.db2.gz ROIXPIZVJPNZOF-CYBMUJFWSA-N 1 3 281.469 3.048 20 0 CGADHO CC(C)[C@H](C[NH2+]CCCNC1CC1)c1ccccc1 ZINC000415067233 393126415 /nfs/dbraw/zinc/12/64/15/393126415.db2.gz KDWSLJWKFOXGOJ-KRWDZBQOSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252765343 393126844 /nfs/dbraw/zinc/12/68/44/393126844.db2.gz IKAULIFSHFTQON-DMDPSCGWSA-N 1 3 286.341 3.436 20 0 CGADHO C[C@H](CNCC(C)(C)[NH3+])c1c(Cl)cccc1Cl ZINC000415081919 393136882 /nfs/dbraw/zinc/13/68/82/393136882.db2.gz LGXXYAYYWXZOFS-SECBINFHSA-N 1 3 275.223 3.424 20 0 CGADHO c1ccc(C[C@@H]([NH2+]C2CCNCC2)c2ccccc2)cc1 ZINC000415081891 393137165 /nfs/dbraw/zinc/13/71/65/393137165.db2.gz CPKLOMSASOAKTK-LJQANCHMSA-N 1 3 280.415 3.312 20 0 CGADHO c1ccc(C(C[NH2+]C[C@@H]2CCCNC2)c2ccccc2)cc1 ZINC000415089069 393140116 /nfs/dbraw/zinc/14/01/16/393140116.db2.gz XFTZFCIRAUEWLR-QGZVFWFLSA-N 1 3 294.442 3.408 20 0 CGADHO c1ccc(C(CNC[C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415089069 393140119 /nfs/dbraw/zinc/14/01/19/393140119.db2.gz XFTZFCIRAUEWLR-QGZVFWFLSA-N 1 3 294.442 3.408 20 0 CGADHO CC(C)c1ccc([C@H](C)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261701336 393141102 /nfs/dbraw/zinc/14/11/02/393141102.db2.gz ILJVQUFFWGASCU-QGTPRVQTSA-N 1 3 272.436 3.412 20 0 CGADHO C[C@H](N[C@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000415100783 393144453 /nfs/dbraw/zinc/14/44/53/393144453.db2.gz IASWVAXVZIYYNH-QRTARXTBSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@H]1CCCNC1 ZINC000415100783 393144458 /nfs/dbraw/zinc/14/44/58/393144458.db2.gz IASWVAXVZIYYNH-QRTARXTBSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@@H]1C[NH3+] ZINC000415120569 393150759 /nfs/dbraw/zinc/15/07/59/393150759.db2.gz GLPLOFUSQQQCKB-BEFAXECRSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(OC2CCCC2)c1 ZINC000469849810 393221343 /nfs/dbraw/zinc/22/13/43/393221343.db2.gz CCROANZPMBDGOP-GOEBONIOSA-N 1 3 288.435 3.177 20 0 CGADHO Cc1cc2c(cc1C)[C@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000335499648 292010139 /nfs/dbraw/zinc/01/01/39/292010139.db2.gz IVZRUZZRIFOFDU-QGZVFWFLSA-N 1 3 286.419 3.026 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420268598 393446083 /nfs/dbraw/zinc/44/60/83/393446083.db2.gz XHNQTZOCMLCYHB-CVEARBPZSA-N 1 3 295.430 3.233 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc(C)c1F ZINC000425951586 393446728 /nfs/dbraw/zinc/44/67/28/393446728.db2.gz NCXJKRHDIDNLPC-SMDDNHRTSA-N 1 3 266.404 3.291 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000420299588 393454964 /nfs/dbraw/zinc/45/49/64/393454964.db2.gz GWIONOPKWUCBEL-QAPCUYQASA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+](C)[C@H](C)c2ccccc2)cc1 ZINC000420299588 393454968 /nfs/dbraw/zinc/45/49/68/393454968.db2.gz GWIONOPKWUCBEL-QAPCUYQASA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@H](C)c2ccccc2)cc1 ZINC000420299588 393454973 /nfs/dbraw/zinc/45/49/73/393454973.db2.gz GWIONOPKWUCBEL-QAPCUYQASA-N 1 3 298.430 3.431 20 0 CGADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1c(F)cccc1Cl ZINC000420393958 393482596 /nfs/dbraw/zinc/48/25/96/393482596.db2.gz CFHFJMFPCBIIPV-MNOVXSKESA-N 1 3 270.779 3.129 20 0 CGADHO C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393555 393482701 /nfs/dbraw/zinc/48/27/01/393482701.db2.gz JXDGIOGPQNOIBJ-ROUUACIJSA-N 1 3 294.483 3.047 20 0 CGADHO c1csc([C@@H]2CCCCN2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420310816 393459454 /nfs/dbraw/zinc/45/94/54/393459454.db2.gz GGIYZPORHYTZBW-KBPBESRZSA-N 1 3 279.453 3.060 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000420317622 393463246 /nfs/dbraw/zinc/46/32/46/393463246.db2.gz NNHPXDWYKALGGF-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO CC(C)N(CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420318780 393463912 /nfs/dbraw/zinc/46/39/12/393463912.db2.gz OWVIPSQJCDGVEI-OAHLLOKOSA-N 1 3 278.415 3.426 20 0 CGADHO COC1(C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)CCC1 ZINC000429523504 393473726 /nfs/dbraw/zinc/47/37/26/393473726.db2.gz SFIIXHXCINABQX-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccn1 ZINC000358151498 393520057 /nfs/dbraw/zinc/52/00/57/393520057.db2.gz ODEIZRULTWTZQU-UXLLHSPISA-N 1 3 273.424 3.232 20 0 CGADHO Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccn1 ZINC000358151498 393520065 /nfs/dbraw/zinc/52/00/65/393520065.db2.gz ODEIZRULTWTZQU-UXLLHSPISA-N 1 3 273.424 3.232 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCSC3)CC2)C1 ZINC000358172327 393520220 /nfs/dbraw/zinc/52/02/20/393520220.db2.gz ILGVVMRJKBPUSD-VNQPRFMTSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCSC3)CC2)C1 ZINC000358172327 393520226 /nfs/dbraw/zinc/52/02/26/393520226.db2.gz ILGVVMRJKBPUSD-VNQPRFMTSA-N 1 3 282.497 3.125 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCC[NH+]2CCCCC2)CS1 ZINC000488456277 393522415 /nfs/dbraw/zinc/52/24/15/393522415.db2.gz HDRFAOMZIHLPME-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CC1=C[C@H](C)CN(C/C=C\C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263370 393553212 /nfs/dbraw/zinc/55/32/12/393553212.db2.gz NSTQAQQZOLJZJF-RDTQODSXSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@H](C)CN(C/C=C\C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263370 393553215 /nfs/dbraw/zinc/55/32/15/393553215.db2.gz NSTQAQQZOLJZJF-RDTQODSXSA-N 1 3 274.452 3.339 20 0 CGADHO CCCC1CCC(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000666856380 542820617 /nfs/dbraw/zinc/82/06/17/542820617.db2.gz FTNHUGYUMSZIPD-GPANFISMSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000666857817 542822075 /nfs/dbraw/zinc/82/20/75/542822075.db2.gz KLNZYVHUCKHZQC-SLTAFYQDSA-N 1 3 252.446 3.323 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCSC ZINC000360960463 393625321 /nfs/dbraw/zinc/62/53/21/393625321.db2.gz YMLXYMBZKQZBGQ-GJZGRUSLSA-N 1 3 272.502 3.230 20 0 CGADHO C[C@H](NCCc1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000422731499 393640704 /nfs/dbraw/zinc/64/07/04/393640704.db2.gz HEBAJTPHQCSABN-QWRGUYRKSA-N 1 3 287.234 3.124 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000422787657 393641840 /nfs/dbraw/zinc/64/18/40/393641840.db2.gz UTUNIVKEFIWMBV-ZOBUZTSGSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422850610 393644565 /nfs/dbraw/zinc/64/45/65/393644565.db2.gz NUOLQEBJWNZAOP-NNYUYHANSA-N 1 3 266.351 3.071 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)C1=CCCCC1 ZINC000423049103 393648777 /nfs/dbraw/zinc/64/87/77/393648777.db2.gz IYUOHRVLCDSZCQ-HIFRSBDPSA-N 1 3 250.430 3.230 20 0 CGADHO Cc1cc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])ccc2[nH]1 ZINC000423110156 393651511 /nfs/dbraw/zinc/65/15/11/393651511.db2.gz ORGRGPIBFXDGOU-ZBFHGGJFSA-N 1 3 271.408 3.083 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138279 393652394 /nfs/dbraw/zinc/65/23/94/393652394.db2.gz XNLALXQHJHMSOH-WNOSKKOXSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138279 393652399 /nfs/dbraw/zinc/65/23/99/393652399.db2.gz XNLALXQHJHMSOH-WNOSKKOXSA-N 1 3 276.399 3.049 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423271831 393657234 /nfs/dbraw/zinc/65/72/34/393657234.db2.gz JLEAXNXGZZZLRT-GJZGRUSLSA-N 1 3 266.816 3.290 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423269013 393657327 /nfs/dbraw/zinc/65/73/27/393657327.db2.gz GTTOQXZMFKRPHB-UONOGXRCSA-N 1 3 297.240 3.009 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H](C)C2 ZINC000423346156 393662398 /nfs/dbraw/zinc/66/23/98/393662398.db2.gz PSONVEVKJRTYMW-BMGDILEWSA-N 1 3 272.436 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H](C)C2 ZINC000423346156 393662400 /nfs/dbraw/zinc/66/24/00/393662400.db2.gz PSONVEVKJRTYMW-BMGDILEWSA-N 1 3 272.436 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000423333503 393662471 /nfs/dbraw/zinc/66/24/71/393662471.db2.gz HQFQVMJPGAUVKK-ROUUACIJSA-N 1 3 272.436 3.352 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(C)CCCNC1)CCC2 ZINC000423333503 393662472 /nfs/dbraw/zinc/66/24/72/393662472.db2.gz HQFQVMJPGAUVKK-ROUUACIJSA-N 1 3 272.436 3.352 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CCCNC2CC2)c2ccccc21 ZINC000423516639 393671690 /nfs/dbraw/zinc/67/16/90/393671690.db2.gz AYFUGYXCIDNQOU-SUMWQHHRSA-N 1 3 258.409 3.357 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC34CC[NH2+]CC4)oc2cc1C ZINC000666952428 542828534 /nfs/dbraw/zinc/82/85/34/542828534.db2.gz VZQOUXKQFDWRJD-QGZVFWFLSA-N 1 3 284.403 3.281 20 0 CGADHO Clc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666950693 542827939 /nfs/dbraw/zinc/82/79/39/542827939.db2.gz BIPUZXHHNHJOLP-CYBMUJFWSA-N 1 3 285.218 3.225 20 0 CGADHO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000433145795 393690510 /nfs/dbraw/zinc/69/05/10/393690510.db2.gz IVWLVRLFEKUXCM-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000435374249 393714831 /nfs/dbraw/zinc/71/48/31/393714831.db2.gz PNGWEGKCASRUJE-RHSMWYFYSA-N 1 3 260.425 3.022 20 0 CGADHO CC[C@H](C)[C@@H](CNC1CC[NH+](C2CCCC2)CC1)OC ZINC000449404762 393880097 /nfs/dbraw/zinc/88/00/97/393880097.db2.gz WABAVIOURFORBK-WMLDXEAASA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](C)[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)OC ZINC000449404762 393880103 /nfs/dbraw/zinc/88/01/03/393880103.db2.gz WABAVIOURFORBK-WMLDXEAASA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc(F)c(CCNC2CC[NH+](C(C)C)CC2)c1 ZINC000449557171 393901924 /nfs/dbraw/zinc/90/19/24/393901924.db2.gz UWYBQEXBJKZPCO-UHFFFAOYSA-N 1 3 278.415 3.139 20 0 CGADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995383 542834005 /nfs/dbraw/zinc/83/40/05/542834005.db2.gz MHXNGWPSHSUGFT-PMPSAXMXSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@H]1C[C@H](NCCCCC[NH+]2CCCCC2)c2nccn21 ZINC000453126179 394179993 /nfs/dbraw/zinc/17/99/93/394179993.db2.gz RTWBBEKGVITPPZ-HOTGVXAUSA-N 1 3 290.455 3.135 20 0 CGADHO C(C[NH2+][C@@H](C1CC1)C1CCCC1)CN1CCCC1 ZINC000453090963 394168236 /nfs/dbraw/zinc/16/82/36/394168236.db2.gz PRLNLHKNTMTNPK-MRXNPFEDSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1ccccc1C(C)(C)[NH2+]CC[C@@H]1CCCN1C ZINC000549868359 289057571 /nfs/dbraw/zinc/05/75/71/289057571.db2.gz UXCWWAJWZCDRCT-HNNXBMFYSA-N 1 3 260.425 3.304 20 0 CGADHO Cc1ccccc1C(C)(C)NCC[C@@H]1CCC[N@H+]1C ZINC000549868359 289057573 /nfs/dbraw/zinc/05/75/73/289057573.db2.gz UXCWWAJWZCDRCT-HNNXBMFYSA-N 1 3 260.425 3.304 20 0 CGADHO Cc1ccccc1C(C)(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000549868359 289057575 /nfs/dbraw/zinc/05/75/75/289057575.db2.gz UXCWWAJWZCDRCT-HNNXBMFYSA-N 1 3 260.425 3.304 20 0 CGADHO C[C@]1(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1(F)F ZINC000668584284 543030825 /nfs/dbraw/zinc/03/08/25/543030825.db2.gz QUEBVSIWFJGCSH-HNNXBMFYSA-N 1 3 295.377 3.075 20 0 CGADHO CSc1cccc(F)c1CN[C@@H](C)C1CC[NH+](C)CC1 ZINC000671764883 543188156 /nfs/dbraw/zinc/18/81/56/543188156.db2.gz FNBWGJLRHKZCOE-LBPRGKRZSA-N 1 3 296.455 3.368 20 0 CGADHO C[C@H](C[NH2+]C1CC(c2cccc(F)c2)C1)CN1CCCC1 ZINC000062078465 397638312 /nfs/dbraw/zinc/63/83/12/397638312.db2.gz YVUHGWAUWBYKJI-MXWWQKGMSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@H](CNC1CC(c2cccc(F)c2)C1)C[NH+]1CCCC1 ZINC000062078465 397638315 /nfs/dbraw/zinc/63/83/15/397638315.db2.gz YVUHGWAUWBYKJI-MXWWQKGMSA-N 1 3 290.426 3.393 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@@H](C)CN(C)C)C2CC2)cc1 ZINC000388908521 397690956 /nfs/dbraw/zinc/69/09/56/397690956.db2.gz MRGVAKAYNAKOMC-RHSMWYFYSA-N 1 3 260.425 3.233 20 0 CGADHO Cc1ccc([C@@H](NC[C@@H](C)C[NH+](C)C)C2CC2)cc1 ZINC000388908521 397690957 /nfs/dbraw/zinc/69/09/57/397690957.db2.gz MRGVAKAYNAKOMC-RHSMWYFYSA-N 1 3 260.425 3.233 20 0 CGADHO CC[C@H](OCC[NH2+]C[C@@H](N)CC(C)C)c1ccccc1 ZINC000650710385 397898122 /nfs/dbraw/zinc/89/81/22/397898122.db2.gz OJCCNVAQPYCSLD-IRXDYDNUSA-N 1 3 278.440 3.117 20 0 CGADHO C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)[C@@H]1CC[NH3+] ZINC000650711415 397898740 /nfs/dbraw/zinc/89/87/40/397898740.db2.gz SYZMGEZVLMPKMS-RHSMWYFYSA-N 1 3 298.434 3.026 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cc(F)ccc1C ZINC000650719090 397901628 /nfs/dbraw/zinc/90/16/28/397901628.db2.gz CSIACYGXFXYQCX-UHFFFAOYSA-N 1 3 272.367 3.143 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)CCCC1 ZINC000421822476 292146921 /nfs/dbraw/zinc/14/69/21/292146921.db2.gz XFJFJMIDKWSUDX-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752225 543360941 /nfs/dbraw/zinc/36/09/41/543360941.db2.gz OBTKARBVFHWXMQ-KFWWJZLASA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752225 543360942 /nfs/dbraw/zinc/36/09/42/543360942.db2.gz OBTKARBVFHWXMQ-KFWWJZLASA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000675752225 543360945 /nfs/dbraw/zinc/36/09/45/543360945.db2.gz OBTKARBVFHWXMQ-KFWWJZLASA-N 1 3 278.465 3.286 20 0 CGADHO CC[N@H+](CCc1ccccn1)Cc1ccc(CN(C)C)cc1 ZINC000678212072 543494033 /nfs/dbraw/zinc/49/40/33/543494033.db2.gz RBFWCHVMKBVEAL-UHFFFAOYSA-N 1 3 297.446 3.208 20 0 CGADHO CC[N@@H+](CCc1ccccn1)Cc1ccc(CN(C)C)cc1 ZINC000678212072 543494034 /nfs/dbraw/zinc/49/40/34/543494034.db2.gz RBFWCHVMKBVEAL-UHFFFAOYSA-N 1 3 297.446 3.208 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCCC1 ZINC000422886817 286048502 /nfs/dbraw/zinc/04/85/02/286048502.db2.gz JRULIZSUBKFFNT-HZPDHXFCSA-N 1 3 282.472 3.081 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000678774685 543556676 /nfs/dbraw/zinc/55/66/76/543556676.db2.gz BXLOPERDOBPGOC-QWFCFKBJSA-N 1 3 298.474 3.497 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000678774685 543556677 /nfs/dbraw/zinc/55/66/77/543556677.db2.gz BXLOPERDOBPGOC-QWFCFKBJSA-N 1 3 298.474 3.497 20 0 CGADHO Cc1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203307 292205578 /nfs/dbraw/zinc/20/55/78/292205578.db2.gz CEWHSMTWXKBVCV-WMLDXEAASA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@H]2CCCNC2)C2CC2)cc1 ZINC000423203307 292205579 /nfs/dbraw/zinc/20/55/79/292205579.db2.gz CEWHSMTWXKBVCV-WMLDXEAASA-N 1 3 258.409 3.035 20 0 CGADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CCCC[C@H]3C)C[C@H]2C1 ZINC000424267750 286113166 /nfs/dbraw/zinc/11/31/66/286113166.db2.gz YNIYYPUMYRJPGV-SFFUCWETSA-N 1 3 294.483 3.044 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362922582 289308741 /nfs/dbraw/zinc/30/87/41/289308741.db2.gz DSOSVLXTUYWPLG-LSDHHAIUSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423355541 533675817 /nfs/dbraw/zinc/67/58/17/533675817.db2.gz ICCGXNSTINPAFI-HNNXBMFYSA-N 1 3 280.415 3.401 20 0 CGADHO C[C@@H](N[C@@H]1CCCCC12CCCC2)[C@@H]1CCC[NH2+]1 ZINC000423134207 287056627 /nfs/dbraw/zinc/05/66/27/287056627.db2.gz DQNMKGYIJGPIHY-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCCC12CCCC2)[C@@H]1CCCN1 ZINC000423134207 287056628 /nfs/dbraw/zinc/05/66/28/287056628.db2.gz DQNMKGYIJGPIHY-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)CCOc1ccc(CN2CCC(C[NH3+])CC2)cc1 ZINC000066152257 165033002 /nfs/dbraw/zinc/03/30/02/165033002.db2.gz FSACEIKJXGOOJF-UHFFFAOYSA-N 1 3 290.451 3.282 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000084389655 165176416 /nfs/dbraw/zinc/17/64/16/165176416.db2.gz COHVWRASVRHATA-HUUCEWRRSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000084389655 165176420 /nfs/dbraw/zinc/17/64/20/165176420.db2.gz COHVWRASVRHATA-HUUCEWRRSA-N 1 3 260.425 3.067 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C1 ZINC000090585610 287102444 /nfs/dbraw/zinc/10/24/44/287102444.db2.gz GZDSAYQCSZIGGG-GJZGRUSLSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000089149128 165199942 /nfs/dbraw/zinc/19/99/42/165199942.db2.gz WGMKUZHWXSVABP-SUHUHFCYSA-N 1 3 286.341 3.483 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000090586677 287103089 /nfs/dbraw/zinc/10/30/89/287103089.db2.gz KLRXKSMQJVNCJN-AWEZNQCLSA-N 1 3 264.457 3.133 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426268 165205025 /nfs/dbraw/zinc/20/50/25/165205025.db2.gz MIUAUZHKHOYABL-QZTJIDSGSA-N 1 3 290.426 3.317 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426268 165205029 /nfs/dbraw/zinc/20/50/29/165205029.db2.gz MIUAUZHKHOYABL-QZTJIDSGSA-N 1 3 290.426 3.317 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(OCCN(C)C)c1 ZINC000090036113 165224500 /nfs/dbraw/zinc/22/45/00/165224500.db2.gz ANDNXHYSHQSPEK-WBVHZDCISA-N 1 3 288.435 3.386 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000093209538 165325725 /nfs/dbraw/zinc/32/57/25/165325725.db2.gz JSVFAGRUZPTCLU-QWHCGFSZSA-N 1 3 272.314 3.065 20 0 CGADHO CC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000119583970 287171289 /nfs/dbraw/zinc/17/12/89/287171289.db2.gz PRKGSEUSSDITCS-SOUVJXGZSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285469927 196294656 /nfs/dbraw/zinc/29/46/56/196294656.db2.gz KIORWYOBTUUJBV-SJPCQFCGSA-N 1 3 276.399 3.191 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285469927 196294658 /nfs/dbraw/zinc/29/46/58/196294658.db2.gz KIORWYOBTUUJBV-SJPCQFCGSA-N 1 3 276.399 3.191 20 0 CGADHO C[C@@H](NCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000037209407 173030158 /nfs/dbraw/zinc/03/01/58/173030158.db2.gz OWARVQNYCVNHFA-GFCCVEGCSA-N 1 3 266.816 3.160 20 0 CGADHO C[NH+]1CCC(NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000037248682 173061257 /nfs/dbraw/zinc/06/12/57/173061257.db2.gz HMOQACKBQWNLAY-UHFFFAOYSA-N 1 3 260.425 3.168 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCSC2)CC1 ZINC000358191940 287289262 /nfs/dbraw/zinc/28/92/62/287289262.db2.gz POCIMYMHSLPQNM-KBMXLJTQSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000358191940 287289264 /nfs/dbraw/zinc/28/92/64/287289264.db2.gz POCIMYMHSLPQNM-KBMXLJTQSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)CN1CCCC1 ZINC000127611850 287291895 /nfs/dbraw/zinc/29/18/95/287291895.db2.gz AYKIYUKCWHOENR-HUUCEWRRSA-N 1 3 278.415 3.251 20 0 CGADHO COc1ccc2cc(CN3CCC[C@H](C[NH3+])C3)ccc2c1 ZINC000044527748 175192948 /nfs/dbraw/zinc/19/29/48/175192948.db2.gz RUZJWQVPKPSKFF-OAHLLOKOSA-N 1 3 284.403 3.019 20 0 CGADHO CCCC[N@H+](C)CC1CCN(CCc2ccccn2)CC1 ZINC000077482450 177273583 /nfs/dbraw/zinc/27/35/83/177273583.db2.gz YHRKVXDAOURWBY-UHFFFAOYSA-N 1 3 289.467 3.068 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(CCc2ccccn2)CC1 ZINC000077482450 177273585 /nfs/dbraw/zinc/27/35/85/177273585.db2.gz YHRKVXDAOURWBY-UHFFFAOYSA-N 1 3 289.467 3.068 20 0 CGADHO CC[C@H]1CN(Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000122254426 416504848 /nfs/dbraw/zinc/50/48/48/416504848.db2.gz MMCJBOFTLCFYRN-YJBOKZPZSA-N 1 3 268.404 3.399 20 0 CGADHO C[C@]1(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000679043456 543586291 /nfs/dbraw/zinc/58/62/91/543586291.db2.gz IJOZBKJDTXZRNZ-SCTDSRPQSA-N 1 3 284.447 3.455 20 0 CGADHO C[C@]1(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCc2ccccc21 ZINC000679043456 543586293 /nfs/dbraw/zinc/58/62/93/543586293.db2.gz IJOZBKJDTXZRNZ-SCTDSRPQSA-N 1 3 284.447 3.455 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076661 543823002 /nfs/dbraw/zinc/82/30/02/543823002.db2.gz VIYZYURWHQWUIO-RHSMWYFYSA-N 1 3 285.435 3.473 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@H]1C ZINC000682076661 543823005 /nfs/dbraw/zinc/82/30/05/543823005.db2.gz VIYZYURWHQWUIO-RHSMWYFYSA-N 1 3 285.435 3.473 20 0 CGADHO CC(C)N1CCC([N@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682076635 543823605 /nfs/dbraw/zinc/82/36/05/543823605.db2.gz VCGBSYDLLCUTMY-UHFFFAOYSA-N 1 3 285.435 3.473 20 0 CGADHO CC(C)N1CCC([N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000682076635 543823608 /nfs/dbraw/zinc/82/36/08/543823608.db2.gz VCGBSYDLLCUTMY-UHFFFAOYSA-N 1 3 285.435 3.473 20 0 CGADHO C[NH+]1CCC2(CCCN2C/C=C\c2ccc(F)cc2)CC1 ZINC000682671463 543857928 /nfs/dbraw/zinc/85/79/28/543857928.db2.gz PEKUNECKWRAHAL-RQOWECAXSA-N 1 3 288.410 3.399 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C/C=C\c2ccc(F)cc2)CC1 ZINC000682671463 543857932 /nfs/dbraw/zinc/85/79/32/543857932.db2.gz PEKUNECKWRAHAL-RQOWECAXSA-N 1 3 288.410 3.399 20 0 CGADHO CN1CCC2(CCC[N@H+]2C/C=C\c2ccc(F)cc2)CC1 ZINC000682671463 543857935 /nfs/dbraw/zinc/85/79/35/543857935.db2.gz PEKUNECKWRAHAL-RQOWECAXSA-N 1 3 288.410 3.399 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000682916636 543877606 /nfs/dbraw/zinc/87/76/06/543877606.db2.gz QHNJPQPDFUNGOR-AWEZNQCLSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@@H](Cc1cccs1)NCC(C)(C)C[NH+]1CCCC1 ZINC000682916636 543877607 /nfs/dbraw/zinc/87/76/07/543877607.db2.gz QHNJPQPDFUNGOR-AWEZNQCLSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462824 544076203 /nfs/dbraw/zinc/07/62/03/544076203.db2.gz NWCUSFDJZZBNCH-GDBMZVCRSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462824 544076205 /nfs/dbraw/zinc/07/62/05/544076205.db2.gz NWCUSFDJZZBNCH-GDBMZVCRSA-N 1 3 266.473 3.332 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470839 544078443 /nfs/dbraw/zinc/07/84/43/544078443.db2.gz VBDQRDPAEMSPLC-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470839 544078444 /nfs/dbraw/zinc/07/84/44/544078444.db2.gz VBDQRDPAEMSPLC-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470839 544078445 /nfs/dbraw/zinc/07/84/45/544078445.db2.gz VBDQRDPAEMSPLC-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470839 544078446 /nfs/dbraw/zinc/07/84/46/544078446.db2.gz VBDQRDPAEMSPLC-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCCCOc1ccccc1 ZINC000653279959 419023514 /nfs/dbraw/zinc/02/35/14/419023514.db2.gz PHMYBRPIILZKGT-CVEARBPZSA-N 1 3 276.424 3.047 20 0 CGADHO C[C@@H](N[C@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]1 ZINC000665234166 419087627 /nfs/dbraw/zinc/08/76/27/419087627.db2.gz ZDSDXPSUBWOMBA-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CCCN1 ZINC000665234166 419087630 /nfs/dbraw/zinc/08/76/30/419087630.db2.gz ZDSDXPSUBWOMBA-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]1c2ccccc2C[C@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665244617 419090442 /nfs/dbraw/zinc/09/04/42/419090442.db2.gz RYRSXEPMKGRKND-MDVLYUJXSA-N 1 3 278.399 3.449 20 0 CGADHO CC1(C)[C@@H]([NH2+]CC2(N)CCCC2)C[C@@H]1Oc1ccccc1 ZINC000665246331 419090743 /nfs/dbraw/zinc/09/07/43/419090743.db2.gz BVJBFGMJWZDUDV-HOTGVXAUSA-N 1 3 288.435 3.094 20 0 CGADHO NC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CCCC1 ZINC000665249225 419093136 /nfs/dbraw/zinc/09/31/36/419093136.db2.gz LSQQURHRSGQBOP-AWEZNQCLSA-N 1 3 264.800 3.188 20 0 CGADHO C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1C[C@H]1C ZINC000665253012 419093955 /nfs/dbraw/zinc/09/39/55/419093955.db2.gz CYYSWAFRUPYVPG-RSUGUSAISA-N 1 3 294.389 3.044 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273822 419097570 /nfs/dbraw/zinc/09/75/70/419097570.db2.gz DUQIACGUGOQRBA-ZIHBUVQPSA-N 1 3 272.383 3.062 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274585 419097701 /nfs/dbraw/zinc/09/77/01/419097701.db2.gz UBFIYUICSYWLBQ-WCXIOVBPSA-N 1 3 258.409 3.040 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1nsc2ccccc21 ZINC000665275714 419100117 /nfs/dbraw/zinc/10/01/17/419100117.db2.gz PUYXEQRUWPFALH-DZGCQCFKSA-N 1 3 289.448 3.088 20 0 CGADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1cccc(OC)c1 ZINC000665280615 419101955 /nfs/dbraw/zinc/10/19/55/419101955.db2.gz HRYVRBGSUGVYFV-CVEARBPZSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCc2cc(F)ccc21 ZINC000665281610 419103435 /nfs/dbraw/zinc/10/34/35/419103435.db2.gz HVDWFPCNNAXHQY-HZPDHXFCSA-N 1 3 264.388 3.166 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283628 419105346 /nfs/dbraw/zinc/10/53/46/419105346.db2.gz RJCKTYOYWVVENC-BSDSXHPESA-N 1 3 294.483 3.092 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cccc(Cl)c2Cl)C1 ZINC000655825558 419109264 /nfs/dbraw/zinc/10/92/64/419109264.db2.gz HNZJBRYCOUCZHU-KLPPZKSPSA-N 1 3 287.234 3.423 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCC(C)(C)C3CC3)CC[C@@H]21 ZINC000653570678 419051323 /nfs/dbraw/zinc/05/13/23/419051323.db2.gz ZJCSCFMQHRMXAI-ZBFHGGJFSA-N 1 3 264.457 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCC(C)(C)C3CC3)CC[C@@H]21 ZINC000653570678 419051326 /nfs/dbraw/zinc/05/13/26/419051326.db2.gz ZJCSCFMQHRMXAI-ZBFHGGJFSA-N 1 3 264.457 3.229 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CC[C@H](C)SC1)C(C)C ZINC000655717913 419076216 /nfs/dbraw/zinc/07/62/16/419076216.db2.gz GAKOHKQHQNCLRM-GJZGRUSLSA-N 1 3 272.502 3.369 20 0 CGADHO CSc1ccccc1[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198734 419148860 /nfs/dbraw/zinc/14/88/60/419148860.db2.gz FTFIIBLVZZGPJL-UPJWGTAASA-N 1 3 264.438 3.329 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cccc3ccsc32)C1 ZINC000656200040 419149479 /nfs/dbraw/zinc/14/94/79/419149479.db2.gz FFARBIHJGPVBBD-KBPBESRZSA-N 1 3 260.406 3.261 20 0 CGADHO Cc1ccccc1C1(N[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000656200223 419149843 /nfs/dbraw/zinc/14/98/43/419149843.db2.gz IIXAFJFSDOXJBD-GJZGRUSLSA-N 1 3 258.409 3.234 20 0 CGADHO Fc1ccccc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785531 419219428 /nfs/dbraw/zinc/21/94/28/419219428.db2.gz LLYHYHBIAHDHDO-OAHLLOKOSA-N 1 3 276.399 3.037 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656786617 419219811 /nfs/dbraw/zinc/21/98/11/419219811.db2.gz OIZOBSPKYQFPLS-KSSFIOAISA-N 1 3 272.436 3.432 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@H]2c2ccc(F)cc2)CCCC1 ZINC000656789469 419221556 /nfs/dbraw/zinc/22/15/56/419221556.db2.gz OJPAFBHPJUGTPG-HOTGVXAUSA-N 1 3 276.399 3.323 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1nccn1C(C)C ZINC000657283956 419241923 /nfs/dbraw/zinc/24/19/23/419241923.db2.gz IVAOWNJUHOURQW-HNNXBMFYSA-N 1 3 280.460 3.064 20 0 CGADHO CC[C@](C)([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000657689513 419328309 /nfs/dbraw/zinc/32/83/09/419328309.db2.gz PUNUHVJMBXZYGC-SFHVURJKSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CC1(F)F ZINC000657663569 419321904 /nfs/dbraw/zinc/32/19/04/419321904.db2.gz BXOCLMSGMZACLN-OAHLLOKOSA-N 1 3 286.410 3.418 20 0 CGADHO C[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1(F)F ZINC000657663569 419321905 /nfs/dbraw/zinc/32/19/05/419321905.db2.gz BXOCLMSGMZACLN-OAHLLOKOSA-N 1 3 286.410 3.418 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc(F)cc2F)[C@@H]1CCC[NH3+] ZINC000662315859 419389602 /nfs/dbraw/zinc/38/96/02/419389602.db2.gz ULWQRTJERYSKLA-MLGOLLRUSA-N 1 3 282.378 3.304 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662246180 419372497 /nfs/dbraw/zinc/37/24/97/419372497.db2.gz PGPBJCTYDSGZOI-KKUMJFAQSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662246180 419372501 /nfs/dbraw/zinc/37/25/01/419372501.db2.gz PGPBJCTYDSGZOI-KKUMJFAQSA-N 1 3 252.446 3.262 20 0 CGADHO [NH3+]C[C@@H](NCCSc1ccc(F)cc1)C1CCCCC1 ZINC000662277720 419382675 /nfs/dbraw/zinc/38/26/75/419382675.db2.gz SRAVOGSPBPIPEC-MRXNPFEDSA-N 1 3 296.455 3.415 20 0 CGADHO C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CC1=CCN(C)CC1 ZINC000657940970 419455614 /nfs/dbraw/zinc/45/56/14/419455614.db2.gz PEJSQYYPLKXGRW-INIZCTEOSA-N 1 3 298.474 3.348 20 0 CGADHO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663345241 419568833 /nfs/dbraw/zinc/56/88/33/419568833.db2.gz HGNLBWZTNIOKQI-GDBMZVCRSA-N 1 3 252.446 3.133 20 0 CGADHO COC1(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCCCC1 ZINC000663346496 419568927 /nfs/dbraw/zinc/56/89/27/419568927.db2.gz SBANUJLNCAHZHC-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO COC1(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)CCCCC1 ZINC000663346496 419568938 /nfs/dbraw/zinc/56/89/38/419568938.db2.gz SBANUJLNCAHZHC-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO COC1(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663346496 419568948 /nfs/dbraw/zinc/56/89/48/419568948.db2.gz SBANUJLNCAHZHC-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]CC12CC(C1)CN2 ZINC000663498214 419637187 /nfs/dbraw/zinc/63/71/87/419637187.db2.gz NJZCRJOZWVSLDZ-CDWSIMAYSA-N 1 3 284.856 3.064 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356270 419577299 /nfs/dbraw/zinc/57/72/99/419577299.db2.gz HSLDEMONDOHYFQ-NWDGAFQWSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356270 419577303 /nfs/dbraw/zinc/57/73/03/419577303.db2.gz HSLDEMONDOHYFQ-NWDGAFQWSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000663356270 419577308 /nfs/dbraw/zinc/57/73/08/419577308.db2.gz HSLDEMONDOHYFQ-NWDGAFQWSA-N 1 3 278.362 3.181 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)c1ccncc1 ZINC000663466133 419614529 /nfs/dbraw/zinc/61/45/29/419614529.db2.gz OMCBRCQUDHRLFB-FUHWJXTLSA-N 1 3 287.451 3.244 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468212 419621512 /nfs/dbraw/zinc/62/15/12/419621512.db2.gz KJRCGFOUNOLVME-BBWFWOEESA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000658165328 419629606 /nfs/dbraw/zinc/62/96/06/419629606.db2.gz IMXRRLMILCKCKZ-UHFFFAOYSA-N 1 3 287.451 3.072 20 0 CGADHO CC[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000658235877 419692727 /nfs/dbraw/zinc/69/27/27/419692727.db2.gz SDIZTYJSXAZOAD-RDTXWAMCSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)[NH+]1CCC(N[C@H]2C[C@H](Oc3ccccc3)C2)CC1 ZINC000658192031 419647929 /nfs/dbraw/zinc/64/79/29/419647929.db2.gz RMLXOLQEUNYHCA-SAABIXHNSA-N 1 3 288.435 3.059 20 0 CGADHO COC[C@H](CCC[NH3+])NC(c1ccccc1)c1ccccc1 ZINC000318498841 261220004 /nfs/dbraw/zinc/22/00/04/261220004.db2.gz JAWQCSIJQSVZGU-SFHVURJKSA-N 1 3 298.430 3.120 20 0 CGADHO CCc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000020017202 262185937 /nfs/dbraw/zinc/18/59/37/262185937.db2.gz AITAFGLZBJCRPP-UHFFFAOYSA-N 1 3 260.425 3.215 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000221732581 262292902 /nfs/dbraw/zinc/29/29/02/262292902.db2.gz MIFKQFFCPYMTRJ-HRCADAONSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000221732581 262292903 /nfs/dbraw/zinc/29/29/03/262292903.db2.gz MIFKQFFCPYMTRJ-HRCADAONSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997010 270028543 /nfs/dbraw/zinc/02/85/43/270028543.db2.gz PNCSVKYGZHFYCK-WZOJCFFYSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000036997010 270028545 /nfs/dbraw/zinc/02/85/45/270028545.db2.gz PNCSVKYGZHFYCK-WZOJCFFYSA-N 1 3 284.447 3.457 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000043533651 270034728 /nfs/dbraw/zinc/03/47/28/270034728.db2.gz YFLYRKSWOKJQKP-BPQIPLTHSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000043533651 270034729 /nfs/dbraw/zinc/03/47/29/270034729.db2.gz YFLYRKSWOKJQKP-BPQIPLTHSA-N 1 3 272.436 3.397 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044532538 270035945 /nfs/dbraw/zinc/03/59/45/270035945.db2.gz DWCCRTQRYIFQCY-OLZOCXBDSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044532538 270035946 /nfs/dbraw/zinc/03/59/46/270035946.db2.gz DWCCRTQRYIFQCY-OLZOCXBDSA-N 1 3 266.454 3.303 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000044517440 270036599 /nfs/dbraw/zinc/03/65/99/270036599.db2.gz SCOFPLDRMIKKSD-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO CCO[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000085380352 270043555 /nfs/dbraw/zinc/04/35/55/270043555.db2.gz RTWYYCDHEAVSOU-ZIAGYGMSSA-N 1 3 282.472 3.089 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000085380352 270043556 /nfs/dbraw/zinc/04/35/56/270043556.db2.gz RTWYYCDHEAVSOU-ZIAGYGMSSA-N 1 3 282.472 3.089 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000236860313 270089355 /nfs/dbraw/zinc/08/93/55/270089355.db2.gz QBOITSVMWDSDBC-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO CC[N@H+]1CCC[C@@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000236860313 270089356 /nfs/dbraw/zinc/08/93/56/270089356.db2.gz QBOITSVMWDSDBC-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000236860313 270089357 /nfs/dbraw/zinc/08/93/57/270089357.db2.gz QBOITSVMWDSDBC-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322908321 270094231 /nfs/dbraw/zinc/09/42/31/270094231.db2.gz IVXBOYLTTPNVSG-WZYMTQMTSA-N 1 3 288.435 3.361 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC12CCCC2)CN1CCCC1 ZINC000328146998 270095203 /nfs/dbraw/zinc/09/52/03/270095203.db2.gz DGDABFPMSHDDSD-CVEARBPZSA-N 1 3 264.457 3.421 20 0 CGADHO C1=CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000527950361 270146580 /nfs/dbraw/zinc/14/65/80/270146580.db2.gz OGTKRVBMWNRLIE-VAMGGRTRSA-N 1 3 296.458 3.453 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC(F)(F)C1 ZINC000529558604 270184791 /nfs/dbraw/zinc/18/47/91/270184791.db2.gz UXIZXIRLHZEPJR-LBPRGKRZSA-N 1 3 274.399 3.132 20 0 CGADHO CC[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000530217345 270196006 /nfs/dbraw/zinc/19/60/06/270196006.db2.gz GQBWOAYSZNLNRU-BBWFWOEESA-N 1 3 260.425 3.257 20 0 CGADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000530218859 270196237 /nfs/dbraw/zinc/19/62/37/270196237.db2.gz HMXKKKBRZMBCBC-UONOGXRCSA-N 1 3 289.398 3.017 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000530222352 270196734 /nfs/dbraw/zinc/19/67/34/270196734.db2.gz ZMFOLFCOPQQXHV-VXGBXAGGSA-N 1 3 262.388 3.165 20 0 CGADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)c(C)s1 ZINC000530442839 270199731 /nfs/dbraw/zinc/19/97/31/270199731.db2.gz FRASTKWGGMRVSC-UHFFFAOYSA-N 1 3 278.465 3.425 20 0 CGADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)c(C)s1 ZINC000530442839 270199732 /nfs/dbraw/zinc/19/97/32/270199732.db2.gz FRASTKWGGMRVSC-UHFFFAOYSA-N 1 3 278.465 3.425 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000531438226 270206920 /nfs/dbraw/zinc/20/69/20/270206920.db2.gz AGMNMMUFYFRGLL-FJIDUMEYSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000531694848 270208799 /nfs/dbraw/zinc/20/87/99/270208799.db2.gz UTRSIJLZQJBVRY-NVXWUHKLSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCc2cc(Br)ccc21)[C@H](C)N ZINC000423463136 274257508 /nfs/dbraw/zinc/25/75/08/274257508.db2.gz LCWWBRMOUHBCMZ-IMSIIYSGSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@@H]1CC[C@@H](NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220353 274313375 /nfs/dbraw/zinc/31/33/75/274313375.db2.gz YEYPDKZPKPPQLD-JKIFEVAISA-N 1 3 258.409 3.214 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)CCN1 ZINC000423397867 274392757 /nfs/dbraw/zinc/39/27/57/274392757.db2.gz VARDHUXPQRFOPX-UKPHBRMFSA-N 1 3 258.409 3.184 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138088 274564471 /nfs/dbraw/zinc/56/44/71/274564471.db2.gz RZYYIOYUSNSDRO-OWLYRPNTSA-N 1 3 272.436 3.158 20 0 CGADHO c1cc2c(s1)CCC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061328129 275065613 /nfs/dbraw/zinc/06/56/13/275065613.db2.gz RONVZYJODIUQJS-SWLSCSKDSA-N 1 3 276.449 3.199 20 0 CGADHO c1cc2c(s1)CCC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061328129 275065615 /nfs/dbraw/zinc/06/56/15/275065615.db2.gz RONVZYJODIUQJS-SWLSCSKDSA-N 1 3 276.449 3.199 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316669 276073036 /nfs/dbraw/zinc/07/30/36/276073036.db2.gz RPOUDGRFPKORLR-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316669 276073037 /nfs/dbraw/zinc/07/30/37/276073037.db2.gz RPOUDGRFPKORLR-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316669 276073038 /nfs/dbraw/zinc/07/30/38/276073038.db2.gz RPOUDGRFPKORLR-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000338316669 276073039 /nfs/dbraw/zinc/07/30/39/276073039.db2.gz RPOUDGRFPKORLR-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085127954 276097430 /nfs/dbraw/zinc/09/74/30/276097430.db2.gz AIKJAOFGQAQNBY-QWHCGFSZSA-N 1 3 280.378 3.429 20 0 CGADHO CCC[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2ccccc2C1 ZINC000226437099 276254913 /nfs/dbraw/zinc/25/49/13/276254913.db2.gz JLMNWUGQNMAHIO-VQIMIIECSA-N 1 3 286.463 3.256 20 0 CGADHO CCC[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2ccccc2C1 ZINC000226437099 276254915 /nfs/dbraw/zinc/25/49/15/276254915.db2.gz JLMNWUGQNMAHIO-VQIMIIECSA-N 1 3 286.463 3.256 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(OC)ccc1F ZINC000294236212 276325779 /nfs/dbraw/zinc/32/57/79/276325779.db2.gz SZVVFEHJJCYGMZ-CQSZACIVSA-N 1 3 296.430 3.434 20 0 CGADHO CNC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659877 277026741 /nfs/dbraw/zinc/02/67/41/277026741.db2.gz UHXJJNDINMYIPJ-UHOSZYNNSA-N 1 3 286.463 3.428 20 0 CGADHO CNC[C@@H]1CCC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659877 277026742 /nfs/dbraw/zinc/02/67/42/277026742.db2.gz UHXJJNDINMYIPJ-UHOSZYNNSA-N 1 3 286.463 3.428 20 0 CGADHO C[NH2+]C[C@@H]1CCCN([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414659877 277026743 /nfs/dbraw/zinc/02/67/43/277026743.db2.gz UHXJJNDINMYIPJ-UHOSZYNNSA-N 1 3 286.463 3.428 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000421822956 277190888 /nfs/dbraw/zinc/19/08/88/277190888.db2.gz BTQOLDKKWZVHNQ-DLBZAZTESA-N 1 3 296.499 3.434 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423276365 277282942 /nfs/dbraw/zinc/28/29/42/277282942.db2.gz OHDNMPSQCRPJIV-GUYCJALGSA-N 1 3 285.435 3.299 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1ncc(C)s1 ZINC000394731004 288003230 /nfs/dbraw/zinc/00/32/30/288003230.db2.gz MYYGRFAGHZIAIK-GFCCVEGCSA-N 1 3 269.458 3.052 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC12CCC2)CN1CCCC1 ZINC000394756455 288003527 /nfs/dbraw/zinc/00/35/27/288003527.db2.gz BCLHOKRIOWNMCJ-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO CS[C@@H]1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000261573156 278145794 /nfs/dbraw/zinc/14/57/94/278145794.db2.gz UWBIENHBDPPFDP-VZAMPYOESA-N 1 3 276.449 3.395 20 0 CGADHO C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000396903392 288017857 /nfs/dbraw/zinc/01/78/57/288017857.db2.gz FIGDDESUUCCRKE-BIMULSAOSA-N 1 3 272.314 3.309 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC1(C)C)N1CCCCC1 ZINC000487549176 278233793 /nfs/dbraw/zinc/23/37/93/278233793.db2.gz NBJJHVFDCPGRTQ-SOUVJXGZSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](C[NH3+])N[C@H]1CCCc2c3ccccc3sc21 ZINC000423379367 278250892 /nfs/dbraw/zinc/25/08/92/278250892.db2.gz XJZSXFUHXMERNE-GWCFXTLKSA-N 1 3 260.406 3.216 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CCC1 ZINC000353924345 278258503 /nfs/dbraw/zinc/25/85/03/278258503.db2.gz BLWDCQMOGZTOGF-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000347952073 278260047 /nfs/dbraw/zinc/26/00/47/278260047.db2.gz JUBOLRIJMVEXHA-XYJFISCASA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000516173924 278260144 /nfs/dbraw/zinc/26/01/44/278260144.db2.gz NDTCEZLQQZTNGE-QKPAOTATSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338689135 278274543 /nfs/dbraw/zinc/27/45/43/278274543.db2.gz RILJVDPSHXOIFG-SXXASDTRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338689135 278274545 /nfs/dbraw/zinc/27/45/45/278274545.db2.gz RILJVDPSHXOIFG-SXXASDTRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338689135 278274546 /nfs/dbraw/zinc/27/45/46/278274546.db2.gz RILJVDPSHXOIFG-SXXASDTRSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000423291121 278318964 /nfs/dbraw/zinc/31/89/64/278318964.db2.gz GVWGVXYBMKFZHO-MLGOLLRUSA-N 1 3 270.376 3.467 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@H]1CCCNC1 ZINC000516173922 278348435 /nfs/dbraw/zinc/34/84/35/278348435.db2.gz NDTCEZLQQZTNGE-FPCVCCKLSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc2c(s1)CCCC2 ZINC000423384481 278373436 /nfs/dbraw/zinc/37/34/36/278373436.db2.gz QGHCKAIVGYXVFL-YRGRVCCFSA-N 1 3 278.465 3.418 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000356233645 278508922 /nfs/dbraw/zinc/50/89/22/278508922.db2.gz RMHAGYSOZPSAFX-RDJZCZTQSA-N 1 3 294.483 3.021 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000089145375 278621379 /nfs/dbraw/zinc/62/13/79/278621379.db2.gz PTWWSQHTZYWYPZ-GOEBONIOSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000423179957 279021702 /nfs/dbraw/zinc/02/17/02/279021702.db2.gz NAMRFMJILQMSGH-CZUORRHYSA-N 1 3 258.409 3.171 20 0 CGADHO C[C@@]1(CN2CC[C@](C)(CCc3ccccc3)C2)CC[NH2+]C1 ZINC000261681841 279159288 /nfs/dbraw/zinc/15/92/88/279159288.db2.gz AHSJNKCIGYSYDF-RBUKOAKNSA-N 1 3 286.463 3.331 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000415087285 279180596 /nfs/dbraw/zinc/18/05/96/279180596.db2.gz SRUVYUWUPLDXBW-HOCLYGCPSA-N 1 3 262.441 3.316 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449642724 288120638 /nfs/dbraw/zinc/12/06/38/288120638.db2.gz XRQKESNTMHCIRM-UBDQQSCGSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449642724 288120642 /nfs/dbraw/zinc/12/06/42/288120642.db2.gz XRQKESNTMHCIRM-UBDQQSCGSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCc2ccccc21 ZINC000093462656 279368132 /nfs/dbraw/zinc/36/81/32/279368132.db2.gz VFDPLFYYDUHVTO-UKPHBRMFSA-N 1 3 258.409 3.184 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H](C2CC2)C2CCC2)C[C@H](C)O1 ZINC000453072795 288160075 /nfs/dbraw/zinc/16/00/75/288160075.db2.gz AUUCYNWMGBMTOA-RVKKMQEKSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527654483 288182640 /nfs/dbraw/zinc/18/26/40/288182640.db2.gz QMVFKLAEMXNUTL-INIZCTEOSA-N 1 3 285.435 3.378 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000414777733 280174172 /nfs/dbraw/zinc/17/41/72/280174172.db2.gz YHUORCRRSNYSHL-BVBHFADKSA-N 1 3 284.447 3.181 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000339408205 280239132 /nfs/dbraw/zinc/23/91/32/280239132.db2.gz RJTRQPQCDQGJQY-PVAVHDDUSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000339408205 280239133 /nfs/dbraw/zinc/23/91/33/280239133.db2.gz RJTRQPQCDQGJQY-PVAVHDDUSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000339408205 280239134 /nfs/dbraw/zinc/23/91/34/280239134.db2.gz RJTRQPQCDQGJQY-PVAVHDDUSA-N 1 3 260.425 3.095 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](C)C2 ZINC000423394341 281123471 /nfs/dbraw/zinc/12/34/71/281123471.db2.gz RHQXZPRRDLCOFW-DPAVQSFQSA-N 1 3 258.409 3.088 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000302225523 281170195 /nfs/dbraw/zinc/17/01/95/281170195.db2.gz OUFMOEMHHFWJRL-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225523 281170197 /nfs/dbraw/zinc/17/01/97/281170197.db2.gz OUFMOEMHHFWJRL-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc2O1 ZINC000423151847 288566355 /nfs/dbraw/zinc/56/63/55/288566355.db2.gz CZQUQJZOHFUSDD-RRCSTGOVSA-N 1 3 274.408 3.006 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000540180950 288649027 /nfs/dbraw/zinc/64/90/27/288649027.db2.gz KBSBIDGMXFRIBX-ZBFHGGJFSA-N 1 3 290.451 3.324 20 0 CGADHO CC(C)[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CC1 ZINC000542488303 288755010 /nfs/dbraw/zinc/75/50/10/288755010.db2.gz HMCVELMKZPRWIR-GDBMZVCRSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[NH+]1CCC(NCC(C)(C)C(F)(F)F)CC1 ZINC000549038524 289032905 /nfs/dbraw/zinc/03/29/05/289032905.db2.gz CGHLRHZSTPYNEE-UHFFFAOYSA-N 1 3 266.351 3.039 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414852563 289456060 /nfs/dbraw/zinc/45/60/60/289456060.db2.gz KBPMQGYLHUJAAO-YCPHGPKFSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000422759626 293261643 /nfs/dbraw/zinc/26/16/43/293261643.db2.gz FVJDDTZSRLBQHP-CQJJVWNLSA-N 1 3 275.440 3.324 20 0 CGADHO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000085128176 294678393 /nfs/dbraw/zinc/67/83/93/294678393.db2.gz DUKSOTDYVHLFQE-QWHCGFSZSA-N 1 3 278.362 3.183 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCCCC3)CCN1 ZINC000423389443 297287154 /nfs/dbraw/zinc/28/71/54/297287154.db2.gz VAKZFNYCTOQSLS-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000261589301 300324601 /nfs/dbraw/zinc/32/46/01/300324601.db2.gz WGSKHGUMINWGPN-JSGCOSHPSA-N 1 3 252.446 3.179 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252678761 303400702 /nfs/dbraw/zinc/40/07/02/303400702.db2.gz QWYXHCPFRKXDEC-CYDGBPFRSA-N 1 3 278.362 3.215 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422761802 303408423 /nfs/dbraw/zinc/40/84/23/303408423.db2.gz HQQWJYXJGKIERU-SWLSCSKDSA-N 1 3 278.827 3.089 20 0 CGADHO CCC(CC)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178091099 327791907 /nfs/dbraw/zinc/79/19/07/327791907.db2.gz WLSBQVJEYNDASB-CQSZACIVSA-N 1 3 278.440 3.466 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178413689 327794108 /nfs/dbraw/zinc/79/41/08/327794108.db2.gz SELUQRCYBHIQJY-CVEARBPZSA-N 1 3 290.451 3.263 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000563880371 322014016 /nfs/dbraw/zinc/01/40/16/322014016.db2.gz HENFUIXSFMLSMH-NEPJUHHUSA-N 1 3 289.448 3.192 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000564822933 322045056 /nfs/dbraw/zinc/04/50/56/322045056.db2.gz QKSCAFSWUGLMJA-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2csc3ccccc23)C1 ZINC000565608668 322084086 /nfs/dbraw/zinc/08/40/86/322084086.db2.gz IPFZHLVKPCYWTP-KGLIPLIRSA-N 1 3 274.433 3.303 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2csc3ccccc23)C1 ZINC000565608668 322084089 /nfs/dbraw/zinc/08/40/89/322084089.db2.gz IPFZHLVKPCYWTP-KGLIPLIRSA-N 1 3 274.433 3.303 20 0 CGADHO CC[C@@H](Cc1ccccc1)N(CC)C[C@]1(C)CC[NH2+]C1 ZINC000565834120 322093288 /nfs/dbraw/zinc/09/32/88/322093288.db2.gz YCKZDESGDMVMLH-ZWKOTPCHSA-N 1 3 274.452 3.329 20 0 CGADHO c1ccc2c(c1)CC(C[NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000565864812 322094597 /nfs/dbraw/zinc/09/45/97/322094597.db2.gz CAZDVHGDJDYBOL-UHFFFAOYSA-N 1 3 298.474 3.398 20 0 CGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccoc1 ZINC000566092556 322103979 /nfs/dbraw/zinc/10/39/79/322103979.db2.gz SQUNITQZKIZRLQ-XJKSGUPXSA-N 1 3 258.365 3.410 20 0 CGADHO CC(C)C[C@H]([NH2+]CCOCCN(C)C)c1cccs1 ZINC000566410621 322120497 /nfs/dbraw/zinc/12/04/97/322120497.db2.gz GIZWLZXZZRKSMY-AWEZNQCLSA-N 1 3 284.469 3.003 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000566748474 322137221 /nfs/dbraw/zinc/13/72/21/322137221.db2.gz KUJJVAVGYFDDGG-GJZGRUSLSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c(C)c1 ZINC000567026491 322147153 /nfs/dbraw/zinc/14/71/53/322147153.db2.gz FMURCHYCFBQVKR-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c(C)c1 ZINC000567026491 322147155 /nfs/dbraw/zinc/14/71/55/322147155.db2.gz FMURCHYCFBQVKR-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@@H](CCc1ccco1)NCC1([NH3+])CCCCCC1 ZINC000567638550 322171737 /nfs/dbraw/zinc/17/17/37/322171737.db2.gz WGVMDTOMDJNKMB-AWEZNQCLSA-N 1 3 264.413 3.242 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCCC[NH2+]C(C)C)CC3 ZINC000567639327 322171754 /nfs/dbraw/zinc/17/17/54/322171754.db2.gz HGCLRQLRHMVYDL-HNNXBMFYSA-N 1 3 299.462 3.311 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCNC(C)C)CC3 ZINC000567639327 322171756 /nfs/dbraw/zinc/17/17/56/322171756.db2.gz HGCLRQLRHMVYDL-HNNXBMFYSA-N 1 3 299.462 3.311 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000567894699 322181880 /nfs/dbraw/zinc/18/18/80/322181880.db2.gz OPRMQDYELHJSGX-CQSZACIVSA-N 1 3 284.403 3.313 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000568049029 322190066 /nfs/dbraw/zinc/19/00/66/322190066.db2.gz KCDBOZKJROTNLV-OAGGEKHMSA-N 1 3 252.446 3.133 20 0 CGADHO CCOc1ccccc1[C@H](CC)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000568249376 322200484 /nfs/dbraw/zinc/20/04/84/322200484.db2.gz ORXKIZCSEMUGIH-DZKIICNBSA-N 1 3 276.424 3.396 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000568342599 322204794 /nfs/dbraw/zinc/20/47/94/322204794.db2.gz BVQCIILEIBEIEA-AWEZNQCLSA-N 1 3 292.471 3.155 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000569872948 322259423 /nfs/dbraw/zinc/25/94/23/322259423.db2.gz IGFMFVUEFVEKQY-YJBOKZPZSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000569872948 322259425 /nfs/dbraw/zinc/25/94/25/322259425.db2.gz IGFMFVUEFVEKQY-YJBOKZPZSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@]1(C[NH2+][C@H]2CCC[C@@H](N)C2)C[C@H]1c1ccccc1 ZINC000572617258 322346691 /nfs/dbraw/zinc/34/66/91/322346691.db2.gz XGSOGPCOIKHLQC-QZWWFDLISA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@]1(CN[C@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000572617258 322346693 /nfs/dbraw/zinc/34/66/93/322346693.db2.gz XGSOGPCOIKHLQC-QZWWFDLISA-N 1 3 258.409 3.040 20 0 CGADHO Cc1nc2ccc(CN3CCC(CC[NH3+])CC3)cc2s1 ZINC000573569415 322394775 /nfs/dbraw/zinc/39/47/75/322394775.db2.gz VZDHNMZMKDJIEW-UHFFFAOYSA-N 1 3 289.448 3.166 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000582421202 328985936 /nfs/dbraw/zinc/98/59/36/328985936.db2.gz DXEZAHOPXWVXRJ-QGZVFWFLSA-N 1 3 270.351 3.062 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000582795933 329207804 /nfs/dbraw/zinc/20/78/04/329207804.db2.gz FDUVCLRQLLIMPB-RRFJBIMHSA-N 1 3 278.465 3.335 20 0 CGADHO CC(C)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000576292130 335185055 /nfs/dbraw/zinc/18/50/55/335185055.db2.gz CWGXAEBJPGBNHP-IAGOWNOFSA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000576292130 335185057 /nfs/dbraw/zinc/18/50/57/335185057.db2.gz CWGXAEBJPGBNHP-IAGOWNOFSA-N 1 3 290.451 3.123 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000580563862 335286878 /nfs/dbraw/zinc/28/68/78/335286878.db2.gz FXJNMKZWFNRGKP-RRFJBIMHSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000580563862 335286879 /nfs/dbraw/zinc/28/68/79/335286879.db2.gz FXJNMKZWFNRGKP-RRFJBIMHSA-N 1 3 252.446 3.262 20 0 CGADHO CCc1ccc(C[NH2+]CC2(SC)CCN(C)CC2)s1 ZINC000577051306 335290448 /nfs/dbraw/zinc/29/04/48/335290448.db2.gz BXHDBLYQJYALBH-UHFFFAOYSA-N 1 3 298.521 3.228 20 0 CGADHO [NH3+]CCCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000577470489 335355919 /nfs/dbraw/zinc/35/59/19/335355919.db2.gz WCQHTYUXACLAJA-UHFFFAOYSA-N 1 3 278.783 3.429 20 0 CGADHO Cc1ccc(C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000577681446 335388037 /nfs/dbraw/zinc/38/80/37/335388037.db2.gz SGHIOMOENOPDLT-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO Cc1ccc(C[N@H+](C)CCCN(C)C)cc1Cl ZINC000577681446 335388038 /nfs/dbraw/zinc/38/80/38/335388038.db2.gz SGHIOMOENOPDLT-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cccc3ccccc32)C1 ZINC000577768489 335399663 /nfs/dbraw/zinc/39/96/63/335399663.db2.gz FBNKIQITFFVSSB-IAGOWNOFSA-N 1 3 268.404 3.242 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000578750023 335669774 /nfs/dbraw/zinc/66/97/74/335669774.db2.gz XNMIJKTYRXUJIF-KSSFIOAISA-N 1 3 284.403 3.011 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000579973001 335940980 /nfs/dbraw/zinc/94/09/80/335940980.db2.gz RWTOXTYSQPOIEX-HYVNUMGLSA-N 1 3 290.451 3.437 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000581972961 336181527 /nfs/dbraw/zinc/18/15/27/336181527.db2.gz PYZIPOHIPDWIEN-DJIMGWMZSA-N 1 3 264.457 3.300 20 0 CGADHO C1[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000387223304 336188430 /nfs/dbraw/zinc/18/84/30/336188430.db2.gz ZVHFGENMTWYOMB-JJXSEGSLSA-N 1 3 262.441 3.220 20 0 CGADHO C1[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C12CCCC2 ZINC000387223304 336188431 /nfs/dbraw/zinc/18/84/31/336188431.db2.gz ZVHFGENMTWYOMB-JJXSEGSLSA-N 1 3 262.441 3.220 20 0 CGADHO COc1cccc2c(CN(C)C[C@@H]3CC[N@@H+](C)C3)cccc12 ZINC000449264979 533833396 /nfs/dbraw/zinc/83/33/96/533833396.db2.gz OHFSWSPUTNEHLK-OAHLLOKOSA-N 1 3 298.430 3.232 20 0 CGADHO COc1cccc2c(CN(C)C[C@@H]3CC[N@H+](C)C3)cccc12 ZINC000449264979 533833390 /nfs/dbraw/zinc/83/33/90/533833390.db2.gz OHFSWSPUTNEHLK-OAHLLOKOSA-N 1 3 298.430 3.232 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@@H](C)C3)CC2)C1 ZINC000358293631 533859292 /nfs/dbraw/zinc/85/92/92/533859292.db2.gz AJTGDEVTEKJMDU-FZCLSBEQSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@H](C)C3)CC2)C1 ZINC000358293633 533859955 /nfs/dbraw/zinc/85/99/55/533859955.db2.gz AJTGDEVTEKJMDU-LMSBXDPUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000423472683 533882014 /nfs/dbraw/zinc/88/20/14/533882014.db2.gz XUXNRYILDZMWEO-DMDPSCGWSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000423393530 534006275 /nfs/dbraw/zinc/00/62/75/534006275.db2.gz YRLCBQSDDSXKIM-IGCXYCKISA-N 1 3 258.409 3.355 20 0 CGADHO CSc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000365708333 534147788 /nfs/dbraw/zinc/14/77/88/534147788.db2.gz IHVVSSROJBMXHR-MQVJKMGUSA-N 1 3 290.476 3.432 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C1CCC1 ZINC000424369695 534203360 /nfs/dbraw/zinc/20/33/60/534203360.db2.gz CBXVKUFDPHEZBG-QCEMKRCNSA-N 1 3 250.430 3.075 20 0 CGADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423168433 534534029 /nfs/dbraw/zinc/53/40/29/534534029.db2.gz HKGOQBWXBABIRP-GCDKYVQMSA-N 1 3 288.410 3.192 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946163 521879473 /nfs/dbraw/zinc/87/94/73/521879473.db2.gz ZCYGRIFSFVHEFE-CYBMUJFWSA-N 1 3 268.351 3.008 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946163 521879483 /nfs/dbraw/zinc/87/94/83/521879483.db2.gz ZCYGRIFSFVHEFE-CYBMUJFWSA-N 1 3 268.351 3.008 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C(C)C ZINC000089214935 522576366 /nfs/dbraw/zinc/57/63/66/522576366.db2.gz ZCOQRRVVSWMBDK-KRWDZBQOSA-N 1 3 275.440 3.322 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C2CC2)c1 ZINC000423397725 534727794 /nfs/dbraw/zinc/72/77/94/534727794.db2.gz UWBANLIOUDXREU-WBAXXEDZSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1cccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157437744 524363675 /nfs/dbraw/zinc/36/36/75/524363675.db2.gz OJWLMJMBVBFHKV-MSOLQXFVSA-N 1 3 266.388 3.272 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC12CCC2)CN1CCCC1 ZINC000449284065 527177031 /nfs/dbraw/zinc/17/70/31/527177031.db2.gz NLFPINKLMUFJBZ-OAHLLOKOSA-N 1 3 264.457 3.421 20 0 CGADHO CC1(C)[C@@H]([NH2+]CCCNC2CC2)C[C@H]1c1ccccc1 ZINC000423561688 527827304 /nfs/dbraw/zinc/82/73/04/527827304.db2.gz PYBIBYQUAAENOG-IRXDYDNUSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@@H](NCCC[NH2+]C2CC2)C[C@H]1c1ccccc1 ZINC000423561688 527827308 /nfs/dbraw/zinc/82/73/08/527827308.db2.gz PYBIBYQUAAENOG-IRXDYDNUSA-N 1 3 272.436 3.300 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354848408 527848938 /nfs/dbraw/zinc/84/89/38/527848938.db2.gz KXCKRVYWYDXWTQ-MRXNPFEDSA-N 1 3 284.488 3.245 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CCCCOC(C)(C)C)C1 ZINC000354848408 527848943 /nfs/dbraw/zinc/84/89/43/527848943.db2.gz KXCKRVYWYDXWTQ-MRXNPFEDSA-N 1 3 284.488 3.245 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCCCOC(C)(C)C)C1 ZINC000354848408 527848945 /nfs/dbraw/zinc/84/89/45/527848945.db2.gz KXCKRVYWYDXWTQ-MRXNPFEDSA-N 1 3 284.488 3.245 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354848408 527848951 /nfs/dbraw/zinc/84/89/51/527848951.db2.gz KXCKRVYWYDXWTQ-MRXNPFEDSA-N 1 3 284.488 3.245 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@@H]1c1ccccc1 ZINC000423398189 527877031 /nfs/dbraw/zinc/87/70/31/527877031.db2.gz UDXDIBMIUJJMAH-YLFCFFPRSA-N 1 3 272.436 3.428 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423398189 527877034 /nfs/dbraw/zinc/87/70/34/527877034.db2.gz UDXDIBMIUJJMAH-YLFCFFPRSA-N 1 3 272.436 3.428 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1cncs1 ZINC000411552267 528172012 /nfs/dbraw/zinc/17/20/12/528172012.db2.gz PEBNEFNCHIBRRF-HOCLYGCPSA-N 1 3 295.496 3.176 20 0 CGADHO CCC[NH+]1CCC(CNCc2cc(F)cc(OC)c2)CC1 ZINC000449130926 528187721 /nfs/dbraw/zinc/18/77/21/528187721.db2.gz IWXZHSLNNOCXRD-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000423406542 528236665 /nfs/dbraw/zinc/23/66/65/528236665.db2.gz YVYTYDXNRJLJBW-UXLLHSPISA-N 1 3 276.424 3.396 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074743 528262539 /nfs/dbraw/zinc/26/25/39/528262539.db2.gz OKDUINVBFMDALI-OWCLPIDISA-N 1 3 296.499 3.290 20 0 CGADHO CC[NH+]1CCC(NCc2cccc3c(OC)cccc23)CC1 ZINC000449060352 528987568 /nfs/dbraw/zinc/98/75/68/528987568.db2.gz DATMDVVYXDCLBC-UHFFFAOYSA-N 1 3 298.430 3.422 20 0 CGADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267993 529022412 /nfs/dbraw/zinc/02/24/12/529022412.db2.gz DDELSJDCAIGOHE-NVXWUHKLSA-N 1 3 282.472 3.094 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000420353936 529130127 /nfs/dbraw/zinc/13/01/27/529130127.db2.gz CKYQJLOBGSATTF-SFHVURJKSA-N 1 3 298.430 3.196 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(OC(F)F)cc1 ZINC000423460538 529173438 /nfs/dbraw/zinc/17/34/38/529173438.db2.gz IZYFXGHQLVLCEV-WCQYABFASA-N 1 3 272.339 3.066 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000515237014 535452309 /nfs/dbraw/zinc/45/23/09/535452309.db2.gz BMBFLWIZQTZPBO-ZDUSSCGKSA-N 1 3 264.413 3.279 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649082 535804777 /nfs/dbraw/zinc/80/47/77/535804777.db2.gz VWKGOVFTEDGLHF-GXTWGEPZSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649082 535804778 /nfs/dbraw/zinc/80/47/78/535804778.db2.gz VWKGOVFTEDGLHF-GXTWGEPZSA-N 1 3 264.438 3.273 20 0 CGADHO C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1CC[NH+](C)CC1 ZINC000396446145 572485002 /nfs/dbraw/zinc/48/50/02/572485002.db2.gz POCWRURLKUANGV-IOASZLSFSA-N 1 3 276.424 3.223 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000926552937 618735723 /nfs/dbraw/zinc/73/57/23/618735723.db2.gz PDEJLDCSQMZYJQ-RDJZCZTQSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1NCCc1c[nH]c2cc(Cl)ccc12 ZINC000925520246 619012650 /nfs/dbraw/zinc/01/26/50/619012650.db2.gz LQOMSVTZYAOICW-IAQYHMDHSA-N 1 3 291.826 3.094 20 0 CGADHO CCOCc1ccccc1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925525383 619020244 /nfs/dbraw/zinc/02/02/44/619020244.db2.gz APFLQFWVHYZMBA-IAGOWNOFSA-N 1 3 290.451 3.219 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCCS1 ZINC000925553925 619053722 /nfs/dbraw/zinc/05/37/22/619053722.db2.gz WGIWNKBVDAYUMJ-ARFHVFGLSA-N 1 3 282.497 3.030 20 0 CGADHO CCO[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925658051 619113227 /nfs/dbraw/zinc/11/32/27/619113227.db2.gz GMDQTEQVNINMOL-BRWVUGGUSA-N 1 3 290.451 3.260 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925670851 619123052 /nfs/dbraw/zinc/12/30/52/619123052.db2.gz ABFHSEVZTXYUIV-SJORKVTESA-N 1 3 296.499 3.197 20 0 CGADHO FC(F)(F)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000925678989 619127883 /nfs/dbraw/zinc/12/78/83/619127883.db2.gz GVKASNNKURIATL-AVGNSLFASA-N 1 3 290.373 3.372 20 0 CGADHO FC(F)(F)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925678989 619127885 /nfs/dbraw/zinc/12/78/85/619127885.db2.gz GVKASNNKURIATL-AVGNSLFASA-N 1 3 290.373 3.372 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CC(F)F ZINC000925714223 619160096 /nfs/dbraw/zinc/16/00/96/619160096.db2.gz XHMYBODOLYKFIB-IACUBPJLSA-N 1 3 274.399 3.036 20 0 CGADHO COCCCC1(C[NH2+]CC[C@H](C)N2CCCCC2)CCC1 ZINC000893534485 619207711 /nfs/dbraw/zinc/20/77/11/619207711.db2.gz MTUFLSRWSDMFSL-KRWDZBQOSA-N 1 3 296.499 3.437 20 0 CGADHO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925781743 619243446 /nfs/dbraw/zinc/24/34/46/619243446.db2.gz JOZUIKLMAYFTRM-ZFWWWQNUSA-N 1 3 282.378 3.199 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000261558219 619288911 /nfs/dbraw/zinc/28/89/11/619288911.db2.gz DAALYWMNGHQKGQ-QPSCCSFWSA-N 1 3 252.446 3.179 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494167 619555511 /nfs/dbraw/zinc/55/55/11/619555511.db2.gz CVXLFFLITWFEHD-YQVWRLOYSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494167 619555513 /nfs/dbraw/zinc/55/55/13/619555513.db2.gz CVXLFFLITWFEHD-YQVWRLOYSA-N 1 3 284.447 3.133 20 0 CGADHO CC(C)O[C@H](C[NH2+]CC[C@@H](C)N(C)C)c1ccccc1 ZINC000895293471 619798132 /nfs/dbraw/zinc/79/81/32/619798132.db2.gz MIBPPTSBKSCJJN-NVXWUHKLSA-N 1 3 278.440 3.083 20 0 CGADHO Cc1nc(CNCCC2CC[NH+](C(C)C)CC2)sc1C ZINC000895765692 619882329 /nfs/dbraw/zinc/88/23/29/619882329.db2.gz QILWHBUNAIFIIQ-UHFFFAOYSA-N 1 3 295.496 3.360 20 0 CGADHO Cc1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000237510137 620865932 /nfs/dbraw/zinc/86/59/32/620865932.db2.gz OKVBIIVIYFWDCV-GASCZTMLSA-N 1 3 278.440 3.436 20 0 CGADHO Cc1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000237510137 620865937 /nfs/dbraw/zinc/86/59/37/620865937.db2.gz OKVBIIVIYFWDCV-GASCZTMLSA-N 1 3 278.440 3.436 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902451067 621329829 /nfs/dbraw/zinc/32/98/29/621329829.db2.gz FFBPCCOYXIELNM-AAEUAGOBSA-N 1 3 293.480 3.174 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000902466279 621338579 /nfs/dbraw/zinc/33/85/79/621338579.db2.gz MFDYJHKJKWVLGY-WWBIDZNWSA-N 1 3 296.867 3.376 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902467626 621339213 /nfs/dbraw/zinc/33/92/13/621339213.db2.gz PUEJXSWZKAASND-UVABKVKNSA-N 1 3 278.827 3.315 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000902516103 621359578 /nfs/dbraw/zinc/35/95/78/621359578.db2.gz BLAOVPSKWZCLMO-BZUAXINKSA-N 1 3 278.827 3.057 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCOCC1 ZINC000903069819 621568538 /nfs/dbraw/zinc/56/85/38/621568538.db2.gz JWSUFIYQVDIABX-WMZOPIPTSA-N 1 3 296.499 3.149 20 0 CGADHO COC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCCC1 ZINC000903152118 621611176 /nfs/dbraw/zinc/61/11/76/621611176.db2.gz LXMPAJFQIVQIBV-ZXFUBFMLSA-N 1 3 292.467 3.083 20 0 CGADHO COC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCC1 ZINC000903152118 621611182 /nfs/dbraw/zinc/61/11/82/621611182.db2.gz LXMPAJFQIVQIBV-ZXFUBFMLSA-N 1 3 292.467 3.083 20 0 CGADHO CC[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)[C@H]1C[C@@H]1C ZINC000903377297 621721090 /nfs/dbraw/zinc/72/10/90/621721090.db2.gz KEPRBDGUTMYWCR-QSPRXWTASA-N 1 3 275.440 3.099 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H](C1CC1)C1CCC1)c1cccnc1 ZINC000903379886 621722781 /nfs/dbraw/zinc/72/27/81/621722781.db2.gz ZXSWEHZOLGDAAT-QZTJIDSGSA-N 1 3 287.451 3.243 20 0 CGADHO C[C@@H](NC/C=C\Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000903443365 621754190 /nfs/dbraw/zinc/75/41/90/621754190.db2.gz GSANMGVKJHRBGC-VVOKDJNJSA-N 1 3 282.815 3.030 20 0 CGADHO c1csc([C@H]2CCCN2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903718661 621796429 /nfs/dbraw/zinc/79/64/29/621796429.db2.gz QLNYECWKWLXNLF-UONOGXRCSA-N 1 3 264.438 3.275 20 0 CGADHO CCCN(C[C@@H]([NH3+])CC(F)F)[C@H]1CCc2ccccc21 ZINC000903884359 621826590 /nfs/dbraw/zinc/82/65/90/621826590.db2.gz XRYPJUAEMMAWSR-ZFWWWQNUSA-N 1 3 282.378 3.368 20 0 CGADHO CCCN(C[C@H]([NH3+])CC(F)F)[C@@H]1CCc2ccccc21 ZINC000903884358 621826960 /nfs/dbraw/zinc/82/69/60/621826960.db2.gz XRYPJUAEMMAWSR-UKRRQHHQSA-N 1 3 282.378 3.368 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](N)CC(F)F)c1C ZINC000903895390 621828563 /nfs/dbraw/zinc/82/85/63/621828563.db2.gz NBURHBLZJZDZPH-HIFRSBDPSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](N)CC(F)F)c1C ZINC000903895390 621828564 /nfs/dbraw/zinc/82/85/64/621828564.db2.gz NBURHBLZJZDZPH-HIFRSBDPSA-N 1 3 282.378 3.423 20 0 CGADHO c1ccc2c(CN3CCCC[C@@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000903959618 621837196 /nfs/dbraw/zinc/83/71/96/621837196.db2.gz LAOOHXRNOWBROP-IBGZPJMESA-N 1 3 295.430 3.200 20 0 CGADHO C(CC1CCCCCC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903970394 621843691 /nfs/dbraw/zinc/84/36/91/621843691.db2.gz WLWILTQBAUSDIN-KRWDZBQOSA-N 1 3 294.483 3.095 20 0 CGADHO C[C@@H]1CN(Cc2ccc(C(F)(F)F)s2)C[C@H]1CC[NH3+] ZINC000903978722 621844762 /nfs/dbraw/zinc/84/47/62/621844762.db2.gz VHLBROYQQOCFSB-NXEZZACHSA-N 1 3 292.370 3.184 20 0 CGADHO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904325365 621907812 /nfs/dbraw/zinc/90/78/12/621907812.db2.gz XPBFDGHAPANKKK-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@]1(C)CCCNC1 ZINC000904325365 621907818 /nfs/dbraw/zinc/90/78/18/621907818.db2.gz XPBFDGHAPANKKK-KBAYOESNSA-N 1 3 272.436 3.254 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562379 622825194 /nfs/dbraw/zinc/82/51/94/622825194.db2.gz BVFGGNHATYMYNR-XYPHTWIQSA-N 1 3 288.435 3.145 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562379 622825198 /nfs/dbraw/zinc/82/51/98/622825198.db2.gz BVFGGNHATYMYNR-XYPHTWIQSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817977869 625630989 /nfs/dbraw/zinc/63/09/89/625630989.db2.gz QWCRGTBUEJCPGS-UTLUCORTSA-N 1 3 274.380 3.388 20 0 CGADHO CC[C@@H](NCCC[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000152544791 623687584 /nfs/dbraw/zinc/68/75/84/623687584.db2.gz JYEHCUPAKRCJDJ-MRXNPFEDSA-N 1 3 276.424 3.004 20 0 CGADHO Cc1cnc(Cl)c(CNCCCCC[NH+]2CCCC2)c1 ZINC000922147055 625972984 /nfs/dbraw/zinc/97/29/84/625972984.db2.gz HYQBWICHHGLHIE-UHFFFAOYSA-N 1 3 295.858 3.399 20 0 CGADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](CC[NH3+])C1 ZINC000923482912 626157297 /nfs/dbraw/zinc/15/72/97/626157297.db2.gz IRZZZGPLLULSKA-ZIAGYGMSSA-N 1 3 285.391 3.073 20 0 CGADHO Fc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166199412 626171496 /nfs/dbraw/zinc/17/14/96/626171496.db2.gz HRJPMFOVOPRUHX-IAGOWNOFSA-N 1 3 288.410 3.074 20 0 CGADHO Fc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166199412 626171498 /nfs/dbraw/zinc/17/14/98/626171498.db2.gz HRJPMFOVOPRUHX-IAGOWNOFSA-N 1 3 288.410 3.074 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H](C)CC[NH+](C)C)cc1C ZINC000753644669 626461002 /nfs/dbraw/zinc/46/10/02/626461002.db2.gz WCBZTGGJTKVOCS-GJZGRUSLSA-N 1 3 278.440 3.303 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000753661807 626461407 /nfs/dbraw/zinc/46/14/07/626461407.db2.gz HPTDUPSXGDVOIB-PMPSAXMXSA-N 1 3 290.451 3.445 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000753661807 626461410 /nfs/dbraw/zinc/46/14/10/626461410.db2.gz HPTDUPSXGDVOIB-PMPSAXMXSA-N 1 3 290.451 3.445 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCc3cc(C)ccc32)C1 ZINC000765293044 627245244 /nfs/dbraw/zinc/24/52/44/627245244.db2.gz YUUSHIXZPKGVNQ-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCc3cc(C)ccc32)C1 ZINC000765293044 627245245 /nfs/dbraw/zinc/24/52/45/627245245.db2.gz YUUSHIXZPKGVNQ-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c(C)o1 ZINC000767372828 627402785 /nfs/dbraw/zinc/40/27/85/627402785.db2.gz IITNYHOEUKUNAQ-MQVJKMGUSA-N 1 3 262.397 3.001 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546079 629603689 /nfs/dbraw/zinc/60/36/89/629603689.db2.gz JFXRHWYITJIUMX-CHWSQXEVSA-N 1 3 279.334 3.006 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cncc3ccccc31)C2 ZINC000796461147 629784219 /nfs/dbraw/zinc/78/42/19/629784219.db2.gz LCIWPPJNMAEDIF-JWTNVVGKSA-N 1 3 295.430 3.292 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cncc3ccccc31)C2 ZINC000796461147 629784222 /nfs/dbraw/zinc/78/42/22/629784222.db2.gz LCIWPPJNMAEDIF-JWTNVVGKSA-N 1 3 295.430 3.292 20 0 CGADHO Cc1cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)ccc2[nH]1 ZINC000797130335 629892547 /nfs/dbraw/zinc/89/25/47/629892547.db2.gz FCXPMIOULCKKQN-ALOPSCKCSA-N 1 3 283.419 3.191 20 0 CGADHO Cc1ccncc1CCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000809582232 630754754 /nfs/dbraw/zinc/75/47/54/630754754.db2.gz VSORXXLRLXANJO-GOSISDBHSA-N 1 3 289.467 3.129 20 0 CGADHO Cc1ccncc1CCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000809582232 630754758 /nfs/dbraw/zinc/75/47/58/630754758.db2.gz VSORXXLRLXANJO-GOSISDBHSA-N 1 3 289.467 3.129 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817923932 632235179 /nfs/dbraw/zinc/23/51/79/632235179.db2.gz DHLRQEMDTLOJFA-YZVOILCLSA-N 1 3 298.430 3.102 20 0 CGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817947744 632244545 /nfs/dbraw/zinc/24/45/45/632244545.db2.gz PSMLCUNSQRTFLU-XKQJLSEDSA-N 1 3 288.435 3.050 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000817979925 632269985 /nfs/dbraw/zinc/26/99/85/632269985.db2.gz QDJNARIWIJFYGW-KOLCDFICSA-N 1 3 274.380 3.389 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000818616358 632341783 /nfs/dbraw/zinc/34/17/83/632341783.db2.gz VGESBLZLFYRFDS-NILFDRSVSA-N 1 3 250.361 3.055 20 0 CGADHO C[C@@H](CCc1cccnc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000866218027 633033258 /nfs/dbraw/zinc/03/32/58/633033258.db2.gz KLKMPIYDEBKDGS-IRXDYDNUSA-N 1 3 289.467 3.257 20 0 CGADHO CC[C@H](C[C@H](C)O)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000866637627 633226269 /nfs/dbraw/zinc/22/62/69/633226269.db2.gz YAHQOMBCAILIJY-HPFXQQBRSA-N 1 3 296.499 3.169 20 0 CGADHO COc1ccc2c(c1)nccc2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000829114133 633696952 /nfs/dbraw/zinc/69/69/52/633696952.db2.gz VBVXRRIZOPXCFR-AGUYFDCRSA-N 1 3 297.402 3.281 20 0 CGADHO COc1ccc2c(c1)nccc2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000829114133 633696954 /nfs/dbraw/zinc/69/69/54/633696954.db2.gz VBVXRRIZOPXCFR-AGUYFDCRSA-N 1 3 297.402 3.281 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872033900 633952696 /nfs/dbraw/zinc/95/26/96/633952696.db2.gz JZYNFXGCKHRXFX-IRXDYDNUSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872034416 633952895 /nfs/dbraw/zinc/95/28/95/633952895.db2.gz NRYATKAMHXAJOC-IXDOHACOSA-N 1 3 296.499 3.290 20 0 CGADHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872040359 633962222 /nfs/dbraw/zinc/96/22/22/633962222.db2.gz YGPHGNXHTGWXCQ-ZDUSSCGKSA-N 1 3 294.414 3.304 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCCOC1 ZINC000872053816 633976963 /nfs/dbraw/zinc/97/69/63/633976963.db2.gz WVMRALJRSNRHQU-SQNIBIBYSA-N 1 3 296.499 3.149 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3ncccc23)CC1(C)C ZINC000872123237 634045001 /nfs/dbraw/zinc/04/50/01/634045001.db2.gz NMKXXLZGLUMNHG-HNNXBMFYSA-N 1 3 283.419 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3ncccc23)CC1(C)C ZINC000872123237 634045005 /nfs/dbraw/zinc/04/50/05/634045005.db2.gz NMKXXLZGLUMNHG-HNNXBMFYSA-N 1 3 283.419 3.197 20 0 CGADHO C[C@@H]1c2c(F)cccc2CCN1CCCCCC[NH3+] ZINC000846218616 636161125 /nfs/dbraw/zinc/16/11/25/636161125.db2.gz TZAWKTVAMAJTSL-CYBMUJFWSA-N 1 3 264.388 3.264 20 0 CGADHO [NH3+][C@H](C[C@@H]1CCCN(C/C=C\Cl)C1)C1CCCC1 ZINC000872156454 634067718 /nfs/dbraw/zinc/06/77/18/634067718.db2.gz JXUKUDJOGHGFCF-ZTFRSORNSA-N 1 3 270.848 3.359 20 0 CGADHO Cc1ccc(CN(C)C2(C[NH3+])CCCCC2)c(C)c1 ZINC000834616157 634198578 /nfs/dbraw/zinc/19/85/78/634198578.db2.gz LYWSAFPMZCLVGS-UHFFFAOYSA-N 1 3 260.425 3.397 20 0 CGADHO CCOc1cccc(F)c1CNCCCC[N@H+](C)C1CC1 ZINC000873131707 634252888 /nfs/dbraw/zinc/25/28/88/634252888.db2.gz XMSKJVLUPHYCDX-UHFFFAOYSA-N 1 3 294.414 3.188 20 0 CGADHO CCOc1cccc(F)c1CNCCCC[N@@H+](C)C1CC1 ZINC000873131707 634252890 /nfs/dbraw/zinc/25/28/90/634252890.db2.gz XMSKJVLUPHYCDX-UHFFFAOYSA-N 1 3 294.414 3.188 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCC1CC1 ZINC000873253138 634302637 /nfs/dbraw/zinc/30/26/37/634302637.db2.gz UGUOZUCRIFQKGE-GFCCVEGCSA-N 1 3 261.413 3.080 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000873274223 634315522 /nfs/dbraw/zinc/31/55/22/634315522.db2.gz SUHNFKORPZCWBF-BHTHQVBYSA-N 1 3 296.842 3.276 20 0 CGADHO c1cnc2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000873285210 634317463 /nfs/dbraw/zinc/31/74/63/634317463.db2.gz ZRTHOXNOLYUGRV-YTQUADARSA-N 1 3 295.430 3.245 20 0 CGADHO C[NH+](C)C1(C)CCC(NCc2nc(Cl)cs2)CC1 ZINC000877711622 635160889 /nfs/dbraw/zinc/16/08/89/635160889.db2.gz RSGPTBJCBNAYDG-UHFFFAOYSA-N 1 3 287.860 3.149 20 0 CGADHO CN1CC[C@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743391 635180368 /nfs/dbraw/zinc/18/03/68/635180368.db2.gz VLUMOIDXUWKFQE-WJFTUGDTSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743391 635180374 /nfs/dbraw/zinc/18/03/74/635180374.db2.gz VLUMOIDXUWKFQE-WJFTUGDTSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743391 635180379 /nfs/dbraw/zinc/18/03/79/635180379.db2.gz VLUMOIDXUWKFQE-WJFTUGDTSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743391 635180381 /nfs/dbraw/zinc/18/03/81/635180381.db2.gz VLUMOIDXUWKFQE-WJFTUGDTSA-N 1 3 284.447 3.206 20 0 CGADHO [NH3+]CCCCCCCN1CCc2cccc(F)c2C1 ZINC000842475707 635377914 /nfs/dbraw/zinc/37/79/14/635377914.db2.gz AZTYZOLMVSMGRS-UHFFFAOYSA-N 1 3 264.388 3.093 20 0 CGADHO C=C/C=C\CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000878411779 635495039 /nfs/dbraw/zinc/49/50/39/635495039.db2.gz NUDQYKBFSGXUGP-KSLSASGISA-N 1 3 262.441 3.361 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC[C@H]1CCCC1(F)F)C2 ZINC000878663500 635596132 /nfs/dbraw/zinc/59/61/32/635596132.db2.gz ZYXQUDOTMVYWKQ-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC[C@H]1CCCC1(F)F)C2 ZINC000878663500 635596135 /nfs/dbraw/zinc/59/61/35/635596135.db2.gz ZYXQUDOTMVYWKQ-HUUCEWRRSA-N 1 3 286.410 3.230 20 0 CGADHO CC1(N2CCCCC2)CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000879952731 635886691 /nfs/dbraw/zinc/88/66/91/635886691.db2.gz ZPHTYKAMIXQDGH-UHFFFAOYSA-N 1 3 292.467 3.086 20 0 CGADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000880474212 636008078 /nfs/dbraw/zinc/00/80/78/636008078.db2.gz UNDKGVIEMAWUNP-MRXNPFEDSA-N 1 3 292.467 3.038 20 0 CGADHO Nc1c(Cl)cccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000882935073 636467964 /nfs/dbraw/zinc/46/79/64/636467964.db2.gz DECAUKUYLRAHRZ-UHFFFAOYSA-N 1 3 293.842 3.029 20 0 CGADHO Cc1cccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000848987205 636706242 /nfs/dbraw/zinc/70/62/42/636706242.db2.gz MXFKJJNDARFJJC-CABCVRRESA-N 1 3 288.439 3.052 20 0 CGADHO FC1(F)CCC[C@@H]1CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000883423955 636750527 /nfs/dbraw/zinc/75/05/27/636750527.db2.gz ABCOHGCXMJGGSB-ZNMIVQPWSA-N 1 3 286.410 3.276 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000886167004 637445286 /nfs/dbraw/zinc/44/52/86/637445286.db2.gz XYHPKEGVOOKUIU-RCCFBDPRSA-N 1 3 294.483 3.046 20 0 CGADHO CN(C)Cc1cc(C[NH2+][C@@H]2CCc3cccnc32)ccc1F ZINC000886529172 637555333 /nfs/dbraw/zinc/55/53/33/637555333.db2.gz XTDVHVGVCMYNKR-QGZVFWFLSA-N 1 3 299.393 3.059 20 0 CGADHO ClC(Cl)=CCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000852749012 637706411 /nfs/dbraw/zinc/70/64/11/637706411.db2.gz GHZMNWIMCRTJBJ-NEPJUHHUSA-N 1 3 277.239 3.017 20 0 CGADHO C[C@H](c1ccccc1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867225 637715454 /nfs/dbraw/zinc/71/54/54/637715454.db2.gz AGCPAHPHKGLRAE-NVXWUHKLSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccns1 ZINC000924684747 638388901 /nfs/dbraw/zinc/38/89/01/638388901.db2.gz FPBMVCPRMKLBOG-KBPBESRZSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccns1 ZINC000924684747 638388905 /nfs/dbraw/zinc/38/89/05/638388905.db2.gz FPBMVCPRMKLBOG-KBPBESRZSA-N 1 3 281.469 3.306 20 0 CGADHO CCC[NH+](CCC)CCCNC1CC2(C1)CO[C@@H](C)C2 ZINC000924929094 638425088 /nfs/dbraw/zinc/42/50/88/638425088.db2.gz CTQVNDURNAWTRE-GTPINHCMSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959903 638432271 /nfs/dbraw/zinc/43/22/71/638432271.db2.gz MRKMGGCOSRMSGB-HZMVEIRTSA-N 1 3 262.441 3.051 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925543734 638523624 /nfs/dbraw/zinc/52/36/24/638523624.db2.gz WKJRWHMYUSTHRI-UPJWGTAASA-N 1 3 290.373 3.229 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1nccs1 ZINC000925648388 638556499 /nfs/dbraw/zinc/55/64/99/638556499.db2.gz UGPQOIKOIBREJB-YUELXQCFSA-N 1 3 293.480 3.005 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)c1nccs1 ZINC000925648388 638556503 /nfs/dbraw/zinc/55/65/03/638556503.db2.gz UGPQOIKOIBREJB-YUELXQCFSA-N 1 3 293.480 3.005 20 0 CGADHO [NH3+][C@H]1C[C@@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C12CCC2 ZINC000925673261 638564904 /nfs/dbraw/zinc/56/49/04/638564904.db2.gz CFKRDFIBJFLNSB-GVAFMPQTSA-N 1 3 290.838 3.446 20 0 CGADHO CC[C@H](NCCC(C)(C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000925742071 638593766 /nfs/dbraw/zinc/59/37/66/638593766.db2.gz OSJSMGCHLZNCJJ-HNNXBMFYSA-N 1 3 276.424 3.180 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925775537 638608896 /nfs/dbraw/zinc/60/88/96/638608896.db2.gz GZDIHHNSFGFKBS-NEPJUHHUSA-N 1 3 286.341 3.030 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777471 638610818 /nfs/dbraw/zinc/61/08/18/638610818.db2.gz PDJZJPLRWUMCHV-MLGOLLRUSA-N 1 3 294.389 3.459 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000925786771 638614686 /nfs/dbraw/zinc/61/46/86/638614686.db2.gz UMKPEFSOAUIWLG-NRWUCQMLSA-N 1 3 264.438 3.132 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842371 638629944 /nfs/dbraw/zinc/62/99/44/638629944.db2.gz MMDACLGEIQQFIV-UMVBOHGHSA-N 1 3 264.438 3.239 20 0 CGADHO Cc1ccc(OC[C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858115793 638634876 /nfs/dbraw/zinc/63/48/76/638634876.db2.gz LZHHQJAMAKRKHG-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(OC[C@@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858115793 638634881 /nfs/dbraw/zinc/63/48/81/638634881.db2.gz LZHHQJAMAKRKHG-HZPDHXFCSA-N 1 3 290.451 3.225 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000858245877 638662686 /nfs/dbraw/zinc/66/26/86/638662686.db2.gz QNHPTSCGWIPNEV-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@H](CC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)N1CCCCC1 ZINC000926146354 638722053 /nfs/dbraw/zinc/72/20/53/638722053.db2.gz UTYBMFGTLWOFGD-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCSc2ccc(F)cc21 ZINC000250040544 640810143 /nfs/dbraw/zinc/81/01/43/640810143.db2.gz XEUQCHLLNOBGMD-GDLCADMTSA-N 1 3 280.412 3.080 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000251449719 640826061 /nfs/dbraw/zinc/82/60/61/640826061.db2.gz CKURFCNGIZJJKF-RCCFBDPRSA-N 1 3 272.436 3.395 20 0 CGADHO C(=CC1CC[NH2+]CC1)Nc1ccnc(C2CCC2)c1 ZINC001159364054 806087498 /nfs/dbraw/zinc/08/74/98/806087498.db2.gz JFRWOKWBYMDCFU-UXBLZVDNSA-N 1 3 257.381 3.274 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCN(C)CC1)c1cc(F)ccc1F ZINC001254505858 806425309 /nfs/dbraw/zinc/42/53/09/806425309.db2.gz KBVHDPFTBJZCFW-BBRMVZONSA-N 1 3 282.378 3.490 20 0 CGADHO CC[N@H+](Cc1ccccc1F)[C@@H]1CCCN(C)CC1 ZINC001254527416 806443061 /nfs/dbraw/zinc/44/30/61/806443061.db2.gz XZLAZVAKGMADJD-OAHLLOKOSA-N 1 3 264.388 3.132 20 0 CGADHO CC[N@@H+](Cc1ccccc1F)[C@@H]1CCCN(C)CC1 ZINC001254527416 806443064 /nfs/dbraw/zinc/44/30/64/806443064.db2.gz XZLAZVAKGMADJD-OAHLLOKOSA-N 1 3 264.388 3.132 20 0 CGADHO CCN(CC)Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1F ZINC001162402791 806577536 /nfs/dbraw/zinc/57/75/36/806577536.db2.gz AHNJVTWGGBRGOS-HUUCEWRRSA-N 1 3 293.430 3.349 20 0 CGADHO CCC[N@H+](CCCN)C1CCC(C(F)(F)F)CC1 ZINC001255506702 806656114 /nfs/dbraw/zinc/65/61/14/806656114.db2.gz AUZOEVXVNONOOY-UHFFFAOYSA-N 1 3 266.351 3.168 20 0 CGADHO CCC[N@@H+](CCCN)C1CCC(C(F)(F)F)CC1 ZINC001255506702 806656118 /nfs/dbraw/zinc/65/61/18/806656118.db2.gz AUZOEVXVNONOOY-UHFFFAOYSA-N 1 3 266.351 3.168 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC001255527563 806663507 /nfs/dbraw/zinc/66/35/07/806663507.db2.gz OPFQTPVGWFMRMC-IRXDYDNUSA-N 1 3 290.451 3.227 20 0 CGADHO CC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001255669224 806699732 /nfs/dbraw/zinc/69/97/32/806699732.db2.gz SINUXNKMGOWLML-HMQMGEFJSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001255669224 806699736 /nfs/dbraw/zinc/69/97/36/806699736.db2.gz SINUXNKMGOWLML-HMQMGEFJSA-N 1 3 273.424 3.138 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NCC[C@H]1CCC[N@@H+]1C ZINC001255727455 806721991 /nfs/dbraw/zinc/72/19/91/806721991.db2.gz DZGQQDBIXQGTSZ-UKRRQHHQSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NCC[C@H]1CCC[N@H+]1C ZINC001255727455 806721996 /nfs/dbraw/zinc/72/19/96/806721996.db2.gz DZGQQDBIXQGTSZ-UKRRQHHQSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001255727455 806721999 /nfs/dbraw/zinc/72/19/99/806721999.db2.gz DZGQQDBIXQGTSZ-UKRRQHHQSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](Cc1ccncc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000358668167 799337207 /nfs/dbraw/zinc/33/72/07/799337207.db2.gz RZQQBDOOGFPJSE-OAHLLOKOSA-N 1 3 287.451 3.009 20 0 CGADHO C[C@@]1(C[NH2+]Cc2ccoc2)CCN(Cc2ccccc2)C1 ZINC000380956268 799369555 /nfs/dbraw/zinc/36/95/55/799369555.db2.gz USQPKAXOAKZZHU-SFHVURJKSA-N 1 3 284.403 3.281 20 0 CGADHO CSCCCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395104938 799501970 /nfs/dbraw/zinc/50/19/70/799501970.db2.gz BWHATEXESOMICN-ZIAGYGMSSA-N 1 3 258.475 3.030 20 0 CGADHO C[N@@H+](Cc1cc2c(s1)CCNC2)CC1CCCC1 ZINC000687969688 799743225 /nfs/dbraw/zinc/74/32/25/799743225.db2.gz VWUGXSPGMJAMFB-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO C[N@H+](Cc1cc2c(s1)CCNC2)CC1CCCC1 ZINC000687969688 799743231 /nfs/dbraw/zinc/74/32/31/799743231.db2.gz VWUGXSPGMJAMFB-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)c1ccc(N)cc1 ZINC001255948461 806793502 /nfs/dbraw/zinc/79/35/02/806793502.db2.gz LPCZOENXBBLHFP-UONOGXRCSA-N 1 3 263.429 3.040 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCC(F)(F)F ZINC001255948492 806794172 /nfs/dbraw/zinc/79/41/72/806794172.db2.gz MHDUQOIGEXHGLZ-NSHDSACASA-N 1 3 254.340 3.039 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1cc(F)cc(F)c1 ZINC001255951002 806795177 /nfs/dbraw/zinc/79/51/77/806795177.db2.gz LNBSSZNQDROGQQ-CYBMUJFWSA-N 1 3 284.394 3.217 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC001255951002 806795180 /nfs/dbraw/zinc/79/51/80/806795180.db2.gz LNBSSZNQDROGQQ-CYBMUJFWSA-N 1 3 284.394 3.217 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001255963332 806800746 /nfs/dbraw/zinc/80/07/46/806800746.db2.gz FRTAOOWGMKCVMO-SJLPKXTDSA-N 1 3 289.467 3.209 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001255963332 806800751 /nfs/dbraw/zinc/80/07/51/806800751.db2.gz FRTAOOWGMKCVMO-SJLPKXTDSA-N 1 3 289.467 3.209 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000715493160 800136789 /nfs/dbraw/zinc/13/67/89/800136789.db2.gz XGFMTNOFIAKGMI-BRWVUGGUSA-N 1 3 292.854 3.270 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2ccc(Cl)c(Cl)c2)C12CCC2 ZINC000716317851 800168903 /nfs/dbraw/zinc/16/89/03/800168903.db2.gz CGUITRDDMZCVQA-KBPBESRZSA-N 1 3 299.245 3.395 20 0 CGADHO Cc1ncccc1[C@@H](NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC001256071781 806810577 /nfs/dbraw/zinc/81/05/77/806810577.db2.gz OWAONXAJMKQLIA-SFHVURJKSA-N 1 3 285.435 3.058 20 0 CGADHO C[C@H](Cc1ccccn1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001256402625 806883458 /nfs/dbraw/zinc/88/34/58/806883458.db2.gz KWKPONFNCOJAPO-CQSZACIVSA-N 1 3 289.467 3.254 20 0 CGADHO C[C@H](Cc1ccccn1)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001256402625 806883466 /nfs/dbraw/zinc/88/34/66/806883466.db2.gz KWKPONFNCOJAPO-CQSZACIVSA-N 1 3 289.467 3.254 20 0 CGADHO COc1cccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC001256557273 806914977 /nfs/dbraw/zinc/91/49/77/806914977.db2.gz LLMMQFZDOBIAJI-UHFFFAOYSA-N 1 3 290.451 3.090 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2ccc(F)cc2F)CC1 ZINC001256564214 806915853 /nfs/dbraw/zinc/91/58/53/806915853.db2.gz VFJJOZPXGDMDIP-UHFFFAOYSA-N 1 3 296.405 3.360 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCc2ccc(F)cc2F)CC1 ZINC001256564214 806915858 /nfs/dbraw/zinc/91/58/58/806915858.db2.gz VFJJOZPXGDMDIP-UHFFFAOYSA-N 1 3 296.405 3.360 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccnc1 ZINC001256562434 806916538 /nfs/dbraw/zinc/91/65/38/806916538.db2.gz UHHKTCZWPIHVLQ-INIZCTEOSA-N 1 3 275.440 3.385 20 0 CGADHO C(=C/C1CC[NH2+]CC1)\c1cc(CN2CCCCC2)ccn1 ZINC001243893254 803064651 /nfs/dbraw/zinc/06/46/51/803064651.db2.gz QMZHEUOEKSAGRY-SNAWJCMRSA-N 1 3 285.435 3.080 20 0 CGADHO CCSc1ccccc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812215 813443612 /nfs/dbraw/zinc/44/36/12/813443612.db2.gz YFAHOHBDPCYBRQ-UONOGXRCSA-N 1 3 278.465 3.358 20 0 CGADHO CN(C)CC1(C[NH+]2CCC(C(F)(F)F)CC2)CCCC1 ZINC001208184889 813735318 /nfs/dbraw/zinc/73/53/18/813735318.db2.gz RHQACENUJRMGRF-UHFFFAOYSA-N 1 3 292.389 3.383 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1[nH]nc2c1cccc2C ZINC001137150557 803689331 /nfs/dbraw/zinc/68/93/31/803689331.db2.gz MCGLGYGHJGGRJU-UHFFFAOYSA-N 1 3 288.439 3.035 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1[nH]nc2c1cccc2C ZINC001137150557 803689335 /nfs/dbraw/zinc/68/93/35/803689335.db2.gz MCGLGYGHJGGRJU-UHFFFAOYSA-N 1 3 288.439 3.035 20 0 CGADHO CCc1cccc2c(C[NH+]3C[C@@H]4CN(CC)C[C@H]4C3)c[nH]c21 ZINC001138363604 803903975 /nfs/dbraw/zinc/90/39/75/803903975.db2.gz LNGFCMBNHIHAQY-IRXDYDNUSA-N 1 3 297.446 3.114 20 0 CGADHO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001138400180 803916904 /nfs/dbraw/zinc/91/69/04/803916904.db2.gz MWJVSGQNGJEDRF-SFHVURJKSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001138400180 803916910 /nfs/dbraw/zinc/91/69/10/803916910.db2.gz MWJVSGQNGJEDRF-SFHVURJKSA-N 1 3 283.419 3.004 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1[nH]c2ccc(F)cc2c1C ZINC001138414534 803923710 /nfs/dbraw/zinc/92/37/10/803923710.db2.gz GESAKMBKZODYEA-UHFFFAOYSA-N 1 3 291.414 3.389 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1[nH]c2ccc(F)cc2c1C ZINC001138414534 803923718 /nfs/dbraw/zinc/92/37/18/803923718.db2.gz GESAKMBKZODYEA-UHFFFAOYSA-N 1 3 291.414 3.389 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)s1 ZINC001138753373 804030196 /nfs/dbraw/zinc/03/01/96/804030196.db2.gz PRHZZDJAJYEYDC-CABCVRRESA-N 1 3 292.492 3.474 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)s1 ZINC001138753373 804030203 /nfs/dbraw/zinc/03/02/03/804030203.db2.gz PRHZZDJAJYEYDC-CABCVRRESA-N 1 3 292.492 3.474 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246071748 804110203 /nfs/dbraw/zinc/11/02/03/804110203.db2.gz DNDXJZBAXFYNMV-GDBMZVCRSA-N 1 3 278.415 3.125 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246075389 804113668 /nfs/dbraw/zinc/11/36/68/804113668.db2.gz SXYOWPHNOWNITB-IAGOWNOFSA-N 1 3 278.415 3.269 20 0 CGADHO CCC(C)(C)C1CCC([NH2+]CC2(C)CNC2)CC1 ZINC001246096725 804128314 /nfs/dbraw/zinc/12/83/14/804128314.db2.gz VYDHFAZZWFGVHO-UHFFFAOYSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@]1(CN[C@@H]2CSc3ccccc3C2)CCCC[NH2+]C1 ZINC001246102128 804135303 /nfs/dbraw/zinc/13/53/03/804135303.db2.gz RFSAFJBIOVNNDA-RDJZCZTQSA-N 1 3 290.476 3.073 20 0 CGADHO CCCCCC[C@@H](C)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116129 804148329 /nfs/dbraw/zinc/14/83/29/804148329.db2.gz VBRRXWQDTSENHK-OLZOCXBDSA-N 1 3 280.378 3.477 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCSCc2ccco2)CC[NH2+]1 ZINC001246177507 804192449 /nfs/dbraw/zinc/19/24/49/804192449.db2.gz JGESHZMNSBIADD-HUUCEWRRSA-N 1 3 296.480 3.413 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246192526 804202238 /nfs/dbraw/zinc/20/22/38/804202238.db2.gz SNUKILOEOJJOHR-RNJRCJNSSA-N 1 3 276.468 3.321 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCCc2ccccc2F)CC[NH2+]1 ZINC001246229902 804224235 /nfs/dbraw/zinc/22/42/35/804224235.db2.gz MXXGZEJEHXJZKF-RDJZCZTQSA-N 1 3 278.415 3.125 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246231733 804225205 /nfs/dbraw/zinc/22/52/05/804225205.db2.gz DTSPZXONPINDAU-IRXDYDNUSA-N 1 3 290.451 3.138 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]CCc2ccc(OC)cc2)CCN1 ZINC001246231733 804225214 /nfs/dbraw/zinc/22/52/14/804225214.db2.gz DTSPZXONPINDAU-IRXDYDNUSA-N 1 3 290.451 3.138 20 0 CGADHO COc1ccc(C[N@H+](C)CCCN(C)C)cc1C(C)C ZINC001139616930 804230270 /nfs/dbraw/zinc/23/02/70/804230270.db2.gz URRHHLXQFQNCHS-UHFFFAOYSA-N 1 3 278.440 3.202 20 0 CGADHO COc1ccc(C[N@@H+](C)CCCN(C)C)cc1C(C)C ZINC001139616930 804230279 /nfs/dbraw/zinc/23/02/79/804230279.db2.gz URRHHLXQFQNCHS-UHFFFAOYSA-N 1 3 278.440 3.202 20 0 CGADHO CC[C@@H]1CC(NCCCOc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246239508 804232172 /nfs/dbraw/zinc/23/21/72/804232172.db2.gz RROSRAUEULDBSC-HZPDHXFCSA-N 1 3 290.451 3.354 20 0 CGADHO C1C[C@@H]2C[C@@H]([NH2+]C3CCCCCCC3)C[C@H](C1)N2 ZINC001246247102 804236990 /nfs/dbraw/zinc/23/69/90/804236990.db2.gz WKYSGZKOIRLWGS-MUJYYYPQSA-N 1 3 250.430 3.362 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C[C@H](C)N1 ZINC001246252386 804238254 /nfs/dbraw/zinc/23/82/54/804238254.db2.gz VUWDUHLMJAAJLC-UXXRCYHCSA-N 1 3 252.446 3.320 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@@H](C)C2CCCC2)CCN1 ZINC001246268116 804247457 /nfs/dbraw/zinc/24/74/57/804247457.db2.gz IDIVIWKFAMDIPA-CWRNSKLLSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CCC[C@H]1[NH3+] ZINC001246283088 804258385 /nfs/dbraw/zinc/25/83/85/804258385.db2.gz ZCHHYCOJIRBSAW-OWYVNGRQSA-N 1 3 287.234 3.394 20 0 CGADHO CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC001246290945 804261911 /nfs/dbraw/zinc/26/19/11/804261911.db2.gz PJRVVXBABDGNAS-HOTGVXAUSA-N 1 3 264.388 3.399 20 0 CGADHO C[C@@H]1CC([NH2+][C@H]2CCc3ccc(Cl)cc3C2)C[C@@H](C)N1 ZINC001246307736 804271221 /nfs/dbraw/zinc/27/12/21/804271221.db2.gz FXYFAMGWKOEASI-HSMVNMDESA-N 1 3 292.854 3.316 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246308752 804271845 /nfs/dbraw/zinc/27/18/45/804271845.db2.gz HZXJREYADSLBKD-CQDKDKBSSA-N 1 3 299.245 3.320 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246310991 804273121 /nfs/dbraw/zinc/27/31/21/804273121.db2.gz BRWADNXTOWGQGW-NWDGAFQWSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)C[C@H](C)N1 ZINC001246340359 804292235 /nfs/dbraw/zinc/29/22/35/804292235.db2.gz UGTBRRVAGQSBGV-CLLJXQQHSA-N 1 3 286.612 3.228 20 0 CGADHO CC1(C)C[C@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CCN1 ZINC001246341331 804292750 /nfs/dbraw/zinc/29/27/50/804292750.db2.gz XQQIBJRQZPVULS-GFCCVEGCSA-N 1 3 286.612 3.230 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C(C)(C)C2CCCCC2)CCN1 ZINC001246357140 804301379 /nfs/dbraw/zinc/30/13/79/804301379.db2.gz WPQGYWQQWATBIM-LSDHHAIUSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CCCc2cccc(N)c2)CCN1 ZINC001246358206 804303142 /nfs/dbraw/zinc/30/31/42/804303142.db2.gz YOMVYGQEEQLCRS-ZWKOTPCHSA-N 1 3 289.467 3.102 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246371944 804308986 /nfs/dbraw/zinc/30/89/86/804308986.db2.gz KFINZKRPSWMQRM-IAGOWNOFSA-N 1 3 274.452 3.436 20 0 CGADHO CC(C)CC1([NH2+][C@H]2CN[C@@H](C)C2)CCC(F)(F)CC1 ZINC001246371836 804310315 /nfs/dbraw/zinc/31/03/15/804310315.db2.gz WTVHACBCAFSJEP-QWHCGFSZSA-N 1 3 274.399 3.321 20 0 CGADHO C[C@@H]1CC([NH2+]CC2(CC3CCC3)CC2)C[C@@H](C)N1 ZINC001246375095 804310392 /nfs/dbraw/zinc/31/03/92/804310392.db2.gz HJYWFHNJUDEHAT-CHWSQXEVSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246377311 804312231 /nfs/dbraw/zinc/31/22/31/804312231.db2.gz NKCHJBREFXQRTF-CVEARBPZSA-N 1 3 292.854 3.175 20 0 CGADHO CCc1cc2c(cc1CC)CC([NH2+][C@@H]1CCN[C@@H](C)C1)C2 ZINC001246378998 804314474 /nfs/dbraw/zinc/31/44/74/804314474.db2.gz ISUSTGUURLEOBQ-SCLBCKFNSA-N 1 3 286.463 3.009 20 0 CGADHO C[C@H]1CC([NH2+]CC(C)(C)CC2CCC2)C[C@H](C)N1 ZINC001246386094 804316100 /nfs/dbraw/zinc/31/61/00/804316100.db2.gz DNCAXHMAHCZVRQ-STQMWFEESA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C[C@H]1C ZINC001246396550 804320847 /nfs/dbraw/zinc/32/08/47/804320847.db2.gz ZYAWVVAMWAOTMV-IIAWOOMASA-N 1 3 264.457 3.323 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)CCN1 ZINC001246403417 804322563 /nfs/dbraw/zinc/32/25/63/804322563.db2.gz DUAJLQBZRXUPRL-OCCSQVGLSA-N 1 3 286.410 3.465 20 0 CGADHO Fc1ccc([C@H](CC2CC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC001246405142 804322649 /nfs/dbraw/zinc/32/26/49/804322649.db2.gz LDXJXDIQTNZPRB-SJORKVTESA-N 1 3 276.399 3.399 20 0 CGADHO CCC1([NH2+][C@H]2CCN[C@H](C)C2)CCC(F)(F)CC1 ZINC001246409863 804323605 /nfs/dbraw/zinc/32/36/05/804323605.db2.gz CUPRQTPETFYOIZ-NEPJUHHUSA-N 1 3 260.372 3.075 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411979 804325504 /nfs/dbraw/zinc/32/55/04/804325504.db2.gz HPMASLZYJUNZTO-CZUORRHYSA-N 1 3 280.843 3.393 20 0 CGADHO CCC(CC)[NH2+]C1(c2ccccc2F)CCNCC1 ZINC001246435327 804331284 /nfs/dbraw/zinc/33/12/84/804331284.db2.gz HGQTXIBXLLCPOJ-UHFFFAOYSA-N 1 3 264.388 3.183 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444773 804332984 /nfs/dbraw/zinc/33/29/84/804332984.db2.gz BLRQDXLTMDGHLA-HIFRSBDPSA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](C)CCc2ccc(OC)cc2)CCN1 ZINC001246455246 804337300 /nfs/dbraw/zinc/33/73/00/804337300.db2.gz IAISXLKLLSUMHU-QAPCUYQASA-N 1 3 290.451 3.138 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246458672 804339637 /nfs/dbraw/zinc/33/96/37/804339637.db2.gz AXUKTTXFANPZQS-AVGNSLFASA-N 1 3 299.245 3.191 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CCNCC2)C1 ZINC001246460058 804342971 /nfs/dbraw/zinc/34/29/71/804342971.db2.gz MBJMYCDQWQXBGO-WBVHZDCISA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246464224 804343648 /nfs/dbraw/zinc/34/36/48/804343648.db2.gz IRNKWNJBKIHOCE-PBHICJAKSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1CC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[C@@H]1C ZINC001246463440 804344220 /nfs/dbraw/zinc/34/42/20/804344220.db2.gz VOZALEQGSPJSLY-YQFWSFKMSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCNCC12CC2 ZINC001246471224 804348581 /nfs/dbraw/zinc/34/85/81/804348581.db2.gz BSMFZGUSYCGSPP-IUODEOHRSA-N 1 3 278.827 3.003 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246472779 804349496 /nfs/dbraw/zinc/34/94/96/804349496.db2.gz IWCJYQZWGGMNDD-RRFJBIMHSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246496242 804361144 /nfs/dbraw/zinc/36/11/44/804361144.db2.gz TWHCNVIZQDMRAS-SEBNEYGDSA-N 1 3 252.446 3.177 20 0 CGADHO C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246500517 804362170 /nfs/dbraw/zinc/36/21/70/804362170.db2.gz WXPXEMUAMYALBW-SPUZQDLCSA-N 1 3 272.436 3.300 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+][C@@H](C2CCC2)C2CNC2)cc1 ZINC001246513909 804368789 /nfs/dbraw/zinc/36/87/89/804368789.db2.gz FYPHDQXCQXHIPR-LIRRHRJNSA-N 1 3 286.463 3.158 20 0 CGADHO CCCC[C@@H](CCC)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246515257 804369433 /nfs/dbraw/zinc/36/94/33/804369433.db2.gz KXHXZYKEJRJHKU-HZPDHXFCSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCc2c(Cl)cccc2C1)C1CNC1 ZINC001246514371 804369901 /nfs/dbraw/zinc/36/99/01/804369901.db2.gz GPAQQVUTCNZIAS-YOEHRIQHSA-N 1 3 292.854 3.031 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246514608 804369997 /nfs/dbraw/zinc/36/99/97/804369997.db2.gz IRMQJVDMLSDVEB-WOSRLPQWSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[NH+](CC(C)C)[C@H]1CCN[C@H](C(C)C)C1 ZINC001246519671 804374117 /nfs/dbraw/zinc/37/41/17/804374117.db2.gz DDCGQTOHQHEVCR-HOTGVXAUSA-N 1 3 254.462 3.377 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H](C3CC3)C3CNC3)C2)cc1 ZINC001246520446 804374468 /nfs/dbraw/zinc/37/44/68/804374468.db2.gz WAFKTXPTJBMLFS-NEWSRXKRSA-N 1 3 284.447 3.300 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]([NH+]3Cc4ccccc4C3)CCN2)cc1 ZINC001246525972 804378937 /nfs/dbraw/zinc/37/89/37/804378937.db2.gz UQTAEVJNXDTICY-UXHICEINSA-N 1 3 292.426 3.366 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCC3)CCN1 ZINC001246532608 804383393 /nfs/dbraw/zinc/38/33/93/804383393.db2.gz RWTYDNPUTVOMFN-ZNMIVQPWSA-N 1 3 264.457 3.466 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246541059 804391310 /nfs/dbraw/zinc/39/13/10/804391310.db2.gz LLRJVGPCIIDMKO-JQHSSLGASA-N 1 3 274.452 3.315 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246541059 804391317 /nfs/dbraw/zinc/39/13/17/804391317.db2.gz LLRJVGPCIIDMKO-JQHSSLGASA-N 1 3 274.452 3.315 20 0 CGADHO CCCCCC[C@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557507 804406749 /nfs/dbraw/zinc/40/67/49/804406749.db2.gz LXEDHWJOXLHDAE-QWHCGFSZSA-N 1 3 262.388 3.261 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246560348 804410510 /nfs/dbraw/zinc/41/05/10/804410510.db2.gz CVYDTZZUVOWLJC-VNHYZAJKSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246560348 804410512 /nfs/dbraw/zinc/41/05/12/804410512.db2.gz CVYDTZZUVOWLJC-VNHYZAJKSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246560348 804410516 /nfs/dbraw/zinc/41/05/16/804410516.db2.gz CVYDTZZUVOWLJC-VNHYZAJKSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586328 804430583 /nfs/dbraw/zinc/43/05/83/804430583.db2.gz TTWGCIWFWAGDOA-WMLDXEAASA-N 1 3 292.854 3.258 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586328 804430586 /nfs/dbraw/zinc/43/05/86/804430586.db2.gz TTWGCIWFWAGDOA-WMLDXEAASA-N 1 3 292.854 3.258 20 0 CGADHO CCC1CC[NH+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246589980 804431243 /nfs/dbraw/zinc/43/12/43/804431243.db2.gz QRYALOGSEGKKQD-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246591643 804432967 /nfs/dbraw/zinc/43/29/67/804432967.db2.gz NHPIKVNTTCOHPX-VNHYZAJKSA-N 1 3 292.854 3.257 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599234 804438853 /nfs/dbraw/zinc/43/88/53/804438853.db2.gz BIJVWVZZNXAAJA-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599234 804438854 /nfs/dbraw/zinc/43/88/54/804438854.db2.gz BIJVWVZZNXAAJA-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@]12CCCNC2 ZINC001246598857 804438866 /nfs/dbraw/zinc/43/88/66/804438866.db2.gz BJLJQMRQRQYZQA-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CC[C@]12CCCNC2 ZINC001246598857 804438867 /nfs/dbraw/zinc/43/88/67/804438867.db2.gz BJLJQMRQRQYZQA-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N1CCC2(C[NH2+]C2)CC1 ZINC001246605793 804441853 /nfs/dbraw/zinc/44/18/53/804441853.db2.gz WEZQVMKELGOKTL-LBPRGKRZSA-N 1 3 296.817 3.096 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246610594 804444641 /nfs/dbraw/zinc/44/46/41/804444641.db2.gz PTPKMANUEZSUPF-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CCC[C@]12CCCNC2 ZINC001246610594 804444644 /nfs/dbraw/zinc/44/46/44/804444644.db2.gz PTPKMANUEZSUPF-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246611532 804445595 /nfs/dbraw/zinc/44/55/95/804445595.db2.gz UHUBIIMOMNDMPC-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246611532 804445598 /nfs/dbraw/zinc/44/55/98/804445598.db2.gz UHUBIIMOMNDMPC-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H](CC(C)C)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615834 804450169 /nfs/dbraw/zinc/45/01/69/804450169.db2.gz SVSOUWSDOQBTAT-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](CC(C)C)[N@@H+]1CCC[C@@]2(CCCCN2)C1 ZINC001246615834 804450174 /nfs/dbraw/zinc/45/01/74/804450174.db2.gz SVSOUWSDOQBTAT-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](CC(C)C)[N@H+]1CCC[C@@]2(CCCCN2)C1 ZINC001246615834 804450180 /nfs/dbraw/zinc/45/01/80/804450180.db2.gz SVSOUWSDOQBTAT-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC1(C)CCC[C@@H](N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC001246617706 804451871 /nfs/dbraw/zinc/45/18/71/804451871.db2.gz DSKKEMWBBGBFIJ-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO C1C[NH2+][C@]2(C1)CCCN(C1CCCCCCC1)C2 ZINC001246621522 804453477 /nfs/dbraw/zinc/45/34/77/804453477.db2.gz OXAFETVMIONDTA-MRXNPFEDSA-N 1 3 250.430 3.317 20 0 CGADHO Cc1ccc(C[C@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246623608 804455807 /nfs/dbraw/zinc/45/58/07/804455807.db2.gz AWMBIEOANFNTGL-FUHWJXTLSA-N 1 3 272.436 3.002 20 0 CGADHO CC1(C)CCC[C@H](N2CCCC[C@@]23CC[NH2+]C3)C1 ZINC001246645279 804472432 /nfs/dbraw/zinc/47/24/32/804472432.db2.gz UTIUPJPHHFAMTQ-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CC([NH+]2CCC3(CCc4ccccc43)CC2)C[C@@H](C)N1 ZINC001246648386 804474838 /nfs/dbraw/zinc/47/48/38/804474838.db2.gz XCFHLUPBJZMYDF-HZPDHXFCSA-N 1 3 298.474 3.495 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1csc3ccccc13)CC2 ZINC001140638883 804479609 /nfs/dbraw/zinc/47/96/09/804479609.db2.gz CZNNGBANEVYKLS-UHFFFAOYSA-N 1 3 286.444 3.429 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246653776 804480511 /nfs/dbraw/zinc/48/05/11/804480511.db2.gz JGAOOYUEEHKALK-OKZBNKHCSA-N 1 3 272.436 3.211 20 0 CGADHO C1[C@H]2CCNC[C@H]2[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246660958 804483725 /nfs/dbraw/zinc/48/37/25/804483725.db2.gz DIGHVXPFWZQGQN-GDBMZVCRSA-N 1 3 262.441 3.173 20 0 CGADHO C1[C@H]2CCNC[C@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246660958 804483728 /nfs/dbraw/zinc/48/37/28/804483728.db2.gz DIGHVXPFWZQGQN-GDBMZVCRSA-N 1 3 262.441 3.173 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@H](CF)[C@H](C2(N)CC2)C1 ZINC001246687024 804496264 /nfs/dbraw/zinc/49/62/64/804496264.db2.gz CNFNCBTZZDKXNH-GOEBONIOSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1C[C@H](CF)[C@H](C2(N)CC2)C1 ZINC001246687024 804496268 /nfs/dbraw/zinc/49/62/68/804496268.db2.gz CNFNCBTZZDKXNH-GOEBONIOSA-N 1 3 284.463 3.456 20 0 CGADHO c1ccc(CCC2CC[NH+](C3CCNCC3)CC2)cc1 ZINC001246774203 804503951 /nfs/dbraw/zinc/50/39/51/804503951.db2.gz CRSQOZPVJZKMIF-UHFFFAOYSA-N 1 3 272.436 3.083 20 0 CGADHO CCCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246774736 804504595 /nfs/dbraw/zinc/50/45/95/804504595.db2.gz GNVJQMACHGAXIJ-IAGOWNOFSA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](CC)C1 ZINC001246774736 804504596 /nfs/dbraw/zinc/50/45/96/804504596.db2.gz GNVJQMACHGAXIJ-IAGOWNOFSA-N 1 3 260.425 3.429 20 0 CGADHO CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](CC)C1 ZINC001246774736 804504600 /nfs/dbraw/zinc/50/46/00/804504600.db2.gz GNVJQMACHGAXIJ-IAGOWNOFSA-N 1 3 260.425 3.429 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C(C)C)C1 ZINC001246790785 804513811 /nfs/dbraw/zinc/51/38/11/804513811.db2.gz MXOWWROFEQTDJO-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C(C)C)C1 ZINC001246790785 804513815 /nfs/dbraw/zinc/51/38/15/804513815.db2.gz MXOWWROFEQTDJO-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246794462 804516780 /nfs/dbraw/zinc/51/67/80/804516780.db2.gz ZUQSFZGTCBKTSR-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246794462 804516786 /nfs/dbraw/zinc/51/67/86/804516786.db2.gz ZUQSFZGTCBKTSR-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246794462 804516788 /nfs/dbraw/zinc/51/67/88/804516788.db2.gz ZUQSFZGTCBKTSR-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@H](C)CC[C@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246794463 804517816 /nfs/dbraw/zinc/51/78/16/804517816.db2.gz ZUQSFZGTCBKTSR-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246794463 804517820 /nfs/dbraw/zinc/51/78/20/804517820.db2.gz ZUQSFZGTCBKTSR-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246794463 804517821 /nfs/dbraw/zinc/51/78/21/804517821.db2.gz ZUQSFZGTCBKTSR-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH+]2CCCCCCC2)CCN1 ZINC001246814794 804530828 /nfs/dbraw/zinc/53/08/28/804530828.db2.gz SIRIFWUGSMVMTL-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246828981 804538401 /nfs/dbraw/zinc/53/84/01/804538401.db2.gz UNZDQOZJPDRRJB-KSSFIOAISA-N 1 3 290.426 3.221 20 0 CGADHO COCC[N@H+]([C@H](C)C[C@H](C)CC(C)C)C1CCNCC1 ZINC001246838624 804546871 /nfs/dbraw/zinc/54/68/71/804546871.db2.gz ZBTKWMRDIDRMNA-HZPDHXFCSA-N 1 3 284.488 3.148 20 0 CGADHO COCC[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C1CCNCC1 ZINC001246838624 804546874 /nfs/dbraw/zinc/54/68/74/804546874.db2.gz ZBTKWMRDIDRMNA-HZPDHXFCSA-N 1 3 284.488 3.148 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246838867 804548569 /nfs/dbraw/zinc/54/85/69/804548569.db2.gz JITUDYPLIPMQCE-LJISPDSOSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246838867 804548571 /nfs/dbraw/zinc/54/85/71/804548571.db2.gz JITUDYPLIPMQCE-LJISPDSOSA-N 1 3 252.446 3.131 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2C[C@@H](C)C[C@H](C)C2)CCN1 ZINC001246842010 804550632 /nfs/dbraw/zinc/55/06/32/804550632.db2.gz SMBIXBWNCUTSCM-CAOSSQGBSA-N 1 3 252.446 3.275 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1[C@H]1CCc2cccc(Cl)c2C1 ZINC001246842872 804552680 /nfs/dbraw/zinc/55/26/80/804552680.db2.gz FFKWILZNOASKMI-KBPBESRZSA-N 1 3 278.827 3.011 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844827 804553535 /nfs/dbraw/zinc/55/35/35/804553535.db2.gz CXFDQMVHSXRVLU-HOCLYGCPSA-N 1 3 276.399 3.146 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844827 804553543 /nfs/dbraw/zinc/55/35/43/804553543.db2.gz CXFDQMVHSXRVLU-HOCLYGCPSA-N 1 3 276.399 3.146 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 ZINC001246845174 804553931 /nfs/dbraw/zinc/55/39/31/804553931.db2.gz KTLJESBHOCAQHR-QRNKSROTSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 ZINC001246845174 804553935 /nfs/dbraw/zinc/55/39/35/804553935.db2.gz KTLJESBHOCAQHR-QRNKSROTSA-N 1 3 264.457 3.133 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3C[C@H]4CCNC[C@H]4C3)C2)cc1 ZINC001246845027 804554392 /nfs/dbraw/zinc/55/43/92/804554392.db2.gz KHPIQVJGQZJIEO-YRXWBPOGSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4CCNC[C@H]4C3)C2)cc1 ZINC001246845027 804554397 /nfs/dbraw/zinc/55/43/97/804554397.db2.gz KHPIQVJGQZJIEO-YRXWBPOGSA-N 1 3 284.447 3.254 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246847236 804556500 /nfs/dbraw/zinc/55/65/00/804556500.db2.gz RJTZFSONEDQTCJ-HOTGVXAUSA-N 1 3 278.827 3.011 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246847236 804556506 /nfs/dbraw/zinc/55/65/06/804556506.db2.gz RJTZFSONEDQTCJ-HOTGVXAUSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856209 804563470 /nfs/dbraw/zinc/56/34/70/804563470.db2.gz ZQXIHRAEFCFUEE-ZVZYQTTQSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856209 804563474 /nfs/dbraw/zinc/56/34/74/804563474.db2.gz ZQXIHRAEFCFUEE-ZVZYQTTQSA-N 1 3 290.426 3.221 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246869890 804572252 /nfs/dbraw/zinc/57/22/52/804572252.db2.gz XHBUVVHJWNJUBC-FRFSOERESA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246869890 804572253 /nfs/dbraw/zinc/57/22/53/804572253.db2.gz XHBUVVHJWNJUBC-FRFSOERESA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246869890 804572254 /nfs/dbraw/zinc/57/22/54/804572254.db2.gz XHBUVVHJWNJUBC-FRFSOERESA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C(C)C)C[C@H](CC)N1 ZINC001246884273 804579934 /nfs/dbraw/zinc/57/99/34/804579934.db2.gz AETAUADIVKTDPM-FXUDXRNXSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)C)C[C@H](CC)N1 ZINC001246884273 804579936 /nfs/dbraw/zinc/57/99/36/804579936.db2.gz AETAUADIVKTDPM-FXUDXRNXSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246898465 804586366 /nfs/dbraw/zinc/58/63/66/804586366.db2.gz YNXCIEGKZCWDFC-HOCLYGCPSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246898465 804586367 /nfs/dbraw/zinc/58/63/67/804586367.db2.gz YNXCIEGKZCWDFC-HOCLYGCPSA-N 1 3 260.425 3.080 20 0 CGADHO CC[C@@H]1C[C@@H](N(CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906272 804592025 /nfs/dbraw/zinc/59/20/25/804592025.db2.gz DLWXMBPPLXTLJG-SJORKVTESA-N 1 3 260.425 3.348 20 0 CGADHO C[NH2+]CC[C@@H](C)N(CCCCCCO)Cc1ccccc1 ZINC001246925751 804604266 /nfs/dbraw/zinc/60/42/66/804604266.db2.gz PKXJIZJLYRUTFX-QGZVFWFLSA-N 1 3 292.467 3.039 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933906 804607166 /nfs/dbraw/zinc/60/71/66/804607166.db2.gz JTVSRZJSJAWZDE-MROQNXINSA-N 1 3 292.389 3.413 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246938312 804611076 /nfs/dbraw/zinc/61/10/76/804611076.db2.gz LXSRINKTYKMMLS-SOUVJXGZSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H]1CCCC[N@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246938312 804611080 /nfs/dbraw/zinc/61/10/80/804611080.db2.gz LXSRINKTYKMMLS-SOUVJXGZSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+](C[C@H]1CCCNC1)C1CC1)C2 ZINC001246970651 804622942 /nfs/dbraw/zinc/62/29/42/804622942.db2.gz ANIWVZCAQFPRAN-LPHOPBHVSA-N 1 3 298.474 3.316 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+](C[C@H]1CCCNC1)C1CC1)C2 ZINC001246970651 804622946 /nfs/dbraw/zinc/62/29/46/804622946.db2.gz ANIWVZCAQFPRAN-LPHOPBHVSA-N 1 3 298.474 3.316 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001246978535 804625217 /nfs/dbraw/zinc/62/52/17/804625217.db2.gz VWXDFFJNRBHWGH-TYRIBLQHSA-N 1 3 296.817 3.079 20 0 CGADHO CCCCC[C@@H](CCC)[N@H+](CCN(C)C)C1CCNCC1 ZINC001246992186 804632110 /nfs/dbraw/zinc/63/21/10/804632110.db2.gz YFFBRCIRMAMBEC-QGZVFWFLSA-N 1 3 297.531 3.351 20 0 CGADHO CCCCC[C@@H](CCC)[N@@H+](CCN(C)C)C1CCNCC1 ZINC001246992186 804632112 /nfs/dbraw/zinc/63/21/12/804632112.db2.gz YFFBRCIRMAMBEC-QGZVFWFLSA-N 1 3 297.531 3.351 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@@H]3NCCC[C@@H]3C1)CC2 ZINC001247016385 804645140 /nfs/dbraw/zinc/64/51/40/804645140.db2.gz UPCFOHQFQYXCQD-MJGOQNOKSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3NCCC[C@@H]3C1)CC2 ZINC001247016385 804645144 /nfs/dbraw/zinc/64/51/44/804645144.db2.gz UPCFOHQFQYXCQD-MJGOQNOKSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@@H]1CC(N[C@H](CC[NH+](C)C)c2ccccc2)C[C@@H](C)O1 ZINC001257073803 807042750 /nfs/dbraw/zinc/04/27/50/807042750.db2.gz VOHHOYKTJLIGHD-IIDMSEBBSA-N 1 3 290.451 3.225 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cc(C(C)(C)C)c[nH]2)CC1 ZINC001249479142 805157484 /nfs/dbraw/zinc/15/74/84/805157484.db2.gz QKTPMMYBOIWKID-UHFFFAOYSA-N 1 3 277.456 3.086 20 0 CGADHO CC(C)[NH+]1CCC(N2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001257221881 807065019 /nfs/dbraw/zinc/06/50/19/807065019.db2.gz IZCMXWMFAPIRQD-MRXNPFEDSA-N 1 3 290.426 3.488 20 0 CGADHO CCN(Cc1ccc(OC)cc1)C1CC[NH+](C(C)C)CC1 ZINC001257221730 807065852 /nfs/dbraw/zinc/06/58/52/807065852.db2.gz FJMNLNPTWMOOBU-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO CCC[C@@H](CC)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001257250710 807069400 /nfs/dbraw/zinc/06/94/00/807069400.db2.gz TXKZLMVVKATHDY-MRXNPFEDSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[C@H](C)N1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001257312570 807101552 /nfs/dbraw/zinc/10/15/52/807101552.db2.gz YVKVHZUGAMKAKJ-AWEZNQCLSA-N 1 3 276.424 3.134 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457958 807193849 /nfs/dbraw/zinc/19/38/49/807193849.db2.gz NQFATXHINJAZNH-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457958 807193852 /nfs/dbraw/zinc/19/38/52/807193852.db2.gz NQFATXHINJAZNH-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257871021 807232270 /nfs/dbraw/zinc/23/22/70/807232270.db2.gz XHOPUIGUXZTXJY-UHFFFAOYSA-N 1 3 284.488 3.434 20 0 CGADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167915117 807272067 /nfs/dbraw/zinc/27/20/67/807272067.db2.gz ZQUAXOOTZYLHGT-VQFNDLOPSA-N 1 3 276.468 3.419 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167911670 807272976 /nfs/dbraw/zinc/27/29/76/807272976.db2.gz CTVAUMGIRCALRV-AGGWBTHJSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167964081 807288185 /nfs/dbraw/zinc/28/81/85/807288185.db2.gz NAEMKEMSWVIPMU-HZTRTUMWSA-N 1 3 264.457 3.416 20 0 CGADHO C[N@H+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003517 807298596 /nfs/dbraw/zinc/29/85/96/807298596.db2.gz OHCLQIFMIKUVFA-SJPCQFCGSA-N 1 3 262.441 3.124 20 0 CGADHO C[N@@H+](CCC1CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001168003517 807298599 /nfs/dbraw/zinc/29/85/99/807298599.db2.gz OHCLQIFMIKUVFA-SJPCQFCGSA-N 1 3 262.441 3.124 20 0 CGADHO C[C@@H]1CCCCN1c1cccc(NC2(C)CC[NH2+]CC2)n1 ZINC001168187978 807338415 /nfs/dbraw/zinc/33/84/15/807338415.db2.gz YZLVVGYPCIHEJJ-CQSZACIVSA-N 1 3 288.439 3.014 20 0 CGADHO CSCC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258202403 807361711 /nfs/dbraw/zinc/36/17/11/807361711.db2.gz KLVMOCCQSHYRGD-LLVKDONJSA-N 1 3 258.475 3.108 20 0 CGADHO CN(Cc1ccc(F)cc1F)C1CCC([NH+](C)C)CC1 ZINC001168328159 807385028 /nfs/dbraw/zinc/38/50/28/807385028.db2.gz XZHUBICAYCRLMC-UHFFFAOYSA-N 1 3 282.378 3.269 20 0 CGADHO c1ccc2c(c1)cncc2C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168368792 807396670 /nfs/dbraw/zinc/39/66/70/807396670.db2.gz PKSVJJJTWHSPLA-UHFFFAOYSA-N 1 3 295.430 3.199 20 0 CGADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168436915 807413734 /nfs/dbraw/zinc/41/37/34/807413734.db2.gz GSYDUTBJSXTHJJ-GOSISDBHSA-N 1 3 290.426 3.101 20 0 CGADHO CSC(C)(C)C[C@@H](C)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001258345763 807421507 /nfs/dbraw/zinc/42/15/07/807421507.db2.gz QGBPONUUMHFUEW-CYBMUJFWSA-N 1 3 284.513 3.465 20 0 CGADHO CSC(C)(C)C[C@@H](C)N1CCC([N@H+](C)C2CC2)CC1 ZINC001258345763 807421510 /nfs/dbraw/zinc/42/15/10/807421510.db2.gz QGBPONUUMHFUEW-CYBMUJFWSA-N 1 3 284.513 3.465 20 0 CGADHO CSC(C)(C)C[C@@H](C)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001258345763 807421515 /nfs/dbraw/zinc/42/15/15/807421515.db2.gz QGBPONUUMHFUEW-CYBMUJFWSA-N 1 3 284.513 3.465 20 0 CGADHO [NH3+]CC[C@H]1CN(c2c[nH]cc3ccnc2-3)c2ccccc21 ZINC001168550859 807444030 /nfs/dbraw/zinc/44/40/30/807444030.db2.gz WWBFWPFHXRRHCM-ZDUSSCGKSA-N 1 3 278.359 3.147 20 0 CGADHO [NH3+]CC[C@H]1CN(c2cncc3cc[nH]c32)c2ccccc21 ZINC001168550859 807444033 /nfs/dbraw/zinc/44/40/33/807444033.db2.gz WWBFWPFHXRRHCM-ZDUSSCGKSA-N 1 3 278.359 3.147 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001169096852 807574524 /nfs/dbraw/zinc/57/45/24/807574524.db2.gz ZCOIVJGSWRZOSC-XYYAHUGASA-N 1 3 282.790 3.194 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169108672 807579320 /nfs/dbraw/zinc/57/93/20/807579320.db2.gz UXSVYCHMRZAAFU-PNBKFKSVSA-N 1 3 286.419 3.033 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001169123654 807585193 /nfs/dbraw/zinc/58/51/93/807585193.db2.gz LXACOYZJQABJKB-BQJWPVKWSA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001169123654 807585199 /nfs/dbraw/zinc/58/51/99/807585199.db2.gz LXACOYZJQABJKB-BQJWPVKWSA-N 1 3 290.838 3.411 20 0 CGADHO CCCN1CCC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001258775653 807606167 /nfs/dbraw/zinc/60/61/67/807606167.db2.gz XSIIYSARBVOMHX-HOCLYGCPSA-N 1 3 250.430 3.125 20 0 CGADHO CCCN1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001258775653 807606172 /nfs/dbraw/zinc/60/61/72/807606172.db2.gz XSIIYSARBVOMHX-HOCLYGCPSA-N 1 3 250.430 3.125 20 0 CGADHO CCC[NH+]1CCC(N2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001258775518 807606314 /nfs/dbraw/zinc/60/63/14/807606314.db2.gz RPGVAAVMVMKUNB-INIZCTEOSA-N 1 3 290.426 3.489 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258787455 807612800 /nfs/dbraw/zinc/61/28/00/807612800.db2.gz UFMJLKXPSQOOIF-BRSBDYLESA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)C1CCC([NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001258801834 807622558 /nfs/dbraw/zinc/62/25/58/807622558.db2.gz PNEOPVMQADEOHQ-UHFFFAOYSA-N 1 3 287.451 3.418 20 0 CGADHO CC(C)C1CCC(N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001258801834 807622563 /nfs/dbraw/zinc/62/25/63/807622563.db2.gz PNEOPVMQADEOHQ-UHFFFAOYSA-N 1 3 287.451 3.418 20 0 CGADHO CCCc1ccc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC001261492429 807751026 /nfs/dbraw/zinc/75/10/26/807751026.db2.gz CVNAAAGNLCYHEL-DLBZAZTESA-N 1 3 260.425 3.198 20 0 CGADHO CC1(C)[C@@H]2C[C@H](N3CCC(C)([NH+]4CCCC4)CC3)C[C@@H]21 ZINC001170764603 807901816 /nfs/dbraw/zinc/90/18/16/807901816.db2.gz KFRCXQLXSQOBNN-MUJYYYPQSA-N 1 3 276.468 3.371 20 0 CGADHO CC[NH+](CC)CCCN[C@H]1CCc2cccc(F)c2C1 ZINC001170941599 807940173 /nfs/dbraw/zinc/94/01/73/807940173.db2.gz CVPHIAUVQGLUFZ-HNNXBMFYSA-N 1 3 278.415 3.005 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170941599 807940177 /nfs/dbraw/zinc/94/01/77/807940177.db2.gz CVPHIAUVQGLUFZ-HNNXBMFYSA-N 1 3 278.415 3.005 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171395200 808044768 /nfs/dbraw/zinc/04/47/68/808044768.db2.gz YNJSGNDJQBJBKM-OAHLLOKOSA-N 1 3 278.415 3.005 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579882 808104058 /nfs/dbraw/zinc/10/40/58/808104058.db2.gz SBVKAIBKNNXGDO-CEXWTWQISA-N 1 3 298.474 3.126 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(C)cccc4C3)C[C@@H]2C1 ZINC001171579882 808104062 /nfs/dbraw/zinc/10/40/62/808104062.db2.gz SBVKAIBKNNXGDO-CEXWTWQISA-N 1 3 298.474 3.126 20 0 CGADHO C[NH+]1C(C)(C)CC(NC[C@H](O)C2CCCCC2)CC1(C)C ZINC001171623568 808106839 /nfs/dbraw/zinc/10/68/39/808106839.db2.gz CLIXXSIUBNIDEU-INIZCTEOSA-N 1 3 296.499 3.169 20 0 CGADHO CN1C(C)(C)CC([NH2+]C[C@H](O)C2CCCCC2)CC1(C)C ZINC001171623568 808106842 /nfs/dbraw/zinc/10/68/42/808106842.db2.gz CLIXXSIUBNIDEU-INIZCTEOSA-N 1 3 296.499 3.169 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@@H]2C2CC2)CC1(C)C ZINC001171628661 808107789 /nfs/dbraw/zinc/10/77/89/808107789.db2.gz FKECERDMETWVQW-KGLIPLIRSA-N 1 3 250.430 3.026 20 0 CGADHO CN1C(C)(C)CC([NH+]2CCC(CF)CC2)CC1(C)C ZINC001171639401 808111041 /nfs/dbraw/zinc/11/10/41/808111041.db2.gz ITYQOMPWRXTATM-UHFFFAOYSA-N 1 3 270.436 3.319 20 0 CGADHO CC1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977655 808162414 /nfs/dbraw/zinc/16/24/14/808162414.db2.gz TWEDKNAYWOCGTJ-QGZVFWFLSA-N 1 3 272.436 3.381 20 0 CGADHO CC1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171977655 808162419 /nfs/dbraw/zinc/16/24/19/808162419.db2.gz TWEDKNAYWOCGTJ-QGZVFWFLSA-N 1 3 272.436 3.381 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3ccccc3n1)C2 ZINC001172100513 808173028 /nfs/dbraw/zinc/17/30/28/808173028.db2.gz DDPAUXHNLZRVJH-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC001172102309 808174845 /nfs/dbraw/zinc/17/48/45/808174845.db2.gz LXMTXCLTLDIERI-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC001172104048 808175172 /nfs/dbraw/zinc/17/51/72/808175172.db2.gz ZBRMTIFWSDEVPZ-PHZGNYQRSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC001172104048 808175174 /nfs/dbraw/zinc/17/51/74/808175174.db2.gz ZBRMTIFWSDEVPZ-PHZGNYQRSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1F ZINC001172104048 808175177 /nfs/dbraw/zinc/17/51/77/808175177.db2.gz ZBRMTIFWSDEVPZ-PHZGNYQRSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1cc([C@H]2CCC[N@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114661 808180376 /nfs/dbraw/zinc/18/03/76/808180376.db2.gz RXCLJDANVKWGGD-JYYAWHABSA-N 1 3 289.423 3.135 20 0 CGADHO Cc1cc([C@H]2CCC[N@@H+]2[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114661 808180377 /nfs/dbraw/zinc/18/03/77/808180377.db2.gz RXCLJDANVKWGGD-JYYAWHABSA-N 1 3 289.423 3.135 20 0 CGADHO CN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115369 808181150 /nfs/dbraw/zinc/18/11/50/808181150.db2.gz WQYWZXMLTCKJNC-FVQHAEBGSA-N 1 3 258.409 3.134 20 0 CGADHO CN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115369 808181153 /nfs/dbraw/zinc/18/11/53/808181153.db2.gz WQYWZXMLTCKJNC-FVQHAEBGSA-N 1 3 258.409 3.134 20 0 CGADHO CCOCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC001172416428 808300497 /nfs/dbraw/zinc/30/04/97/808300497.db2.gz MNGVZORJQKTJDJ-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)OCC[C@@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001172436997 808313396 /nfs/dbraw/zinc/31/33/96/808313396.db2.gz LHHPFBWJWAZPOC-OAHLLOKOSA-N 1 3 282.472 3.174 20 0 CGADHO CC(C)COCC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001172470185 808337960 /nfs/dbraw/zinc/33/79/60/808337960.db2.gz XGQXBFBBMSVNRX-KRWDZBQOSA-N 1 3 296.499 3.388 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550293 808379418 /nfs/dbraw/zinc/37/94/18/808379418.db2.gz DMNIRRJDSAQQHF-SQNIBIBYSA-N 1 3 272.436 3.397 20 0 CGADHO CCSC[C@H](C)N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001173294109 808593437 /nfs/dbraw/zinc/59/34/37/808593437.db2.gz CLZXXAJJCKYAQB-CABCVRRESA-N 1 3 280.481 3.225 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1CC(N)C1 ZINC001173553441 808646025 /nfs/dbraw/zinc/64/60/25/808646025.db2.gz YGOWKTYFYDGXFN-OIKLOGQESA-N 1 3 287.234 3.394 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)NC1CC([NH3+])C1 ZINC001173553441 808646030 /nfs/dbraw/zinc/64/60/30/808646030.db2.gz YGOWKTYFYDGXFN-OIKLOGQESA-N 1 3 287.234 3.394 20 0 CGADHO CCN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275084740 808903913 /nfs/dbraw/zinc/90/39/13/808903913.db2.gz DBOCPGWBPLQKRP-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO CCN1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275084740 808903919 /nfs/dbraw/zinc/90/39/19/808903919.db2.gz DBOCPGWBPLQKRP-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO CCCCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176282314 809659318 /nfs/dbraw/zinc/65/93/18/809659318.db2.gz WLFJUOSTIFVBAN-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001176282314 809659319 /nfs/dbraw/zinc/65/93/19/809659319.db2.gz WLFJUOSTIFVBAN-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001176282314 809659321 /nfs/dbraw/zinc/65/93/21/809659321.db2.gz WLFJUOSTIFVBAN-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1 ZINC001179817665 809948151 /nfs/dbraw/zinc/94/81/51/809948151.db2.gz RFGXLVVEAQEMNM-KZNAEPCWSA-N 1 3 272.436 3.240 20 0 CGADHO CNc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924499 809958939 /nfs/dbraw/zinc/95/89/39/809958939.db2.gz INNOPPQWWVDCRT-QFBILLFUSA-N 1 3 299.462 3.177 20 0 CGADHO CNc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001179924499 809958941 /nfs/dbraw/zinc/95/89/41/809958941.db2.gz INNOPPQWWVDCRT-QFBILLFUSA-N 1 3 299.462 3.177 20 0 CGADHO Cc1ccc(CNC[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC001184134242 810178088 /nfs/dbraw/zinc/17/80/88/810178088.db2.gz BWJJSIUXDWRXRO-HNNXBMFYSA-N 1 3 278.827 3.080 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001193807233 810959460 /nfs/dbraw/zinc/95/94/60/810959460.db2.gz JJCGXAIMBXNLQV-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001193807233 810959466 /nfs/dbraw/zinc/95/94/66/810959466.db2.gz JJCGXAIMBXNLQV-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC[C@H]2CCCO2)CC1 ZINC001196936382 811383648 /nfs/dbraw/zinc/38/36/48/811383648.db2.gz SHOOKWHRSWVKLT-QZTJIDSGSA-N 1 3 294.483 3.142 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC[C@H]2CCCO2)CC1 ZINC001196936382 811383656 /nfs/dbraw/zinc/38/36/56/811383656.db2.gz SHOOKWHRSWVKLT-QZTJIDSGSA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)(C)CCN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001202087282 812013332 /nfs/dbraw/zinc/01/33/32/812013332.db2.gz YRVSDBRDNVPDEZ-UHFFFAOYSA-N 1 3 270.436 3.321 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2c(c1)CCC2 ZINC001203034766 812222512 /nfs/dbraw/zinc/22/25/12/812222512.db2.gz AXUMEOFEJMROJB-UHFFFAOYSA-N 1 3 274.452 3.339 20 0 CGADHO CC[NH+]1CCC(CC2CCN(Cc3ccc[nH]3)CC2)CC1 ZINC001204011104 812518508 /nfs/dbraw/zinc/51/85/08/812518508.db2.gz JJSLOEWECOIIRY-UHFFFAOYSA-N 1 3 289.467 3.349 20 0 CGADHO CCc1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)o1 ZINC001204393531 812627508 /nfs/dbraw/zinc/62/75/08/812627508.db2.gz QOMOXRDHGBUFCA-UHFFFAOYSA-N 1 3 278.440 3.394 20 0 CGADHO C[C@H]1CN(Cc2cccc(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205141078 812885336 /nfs/dbraw/zinc/88/53/36/812885336.db2.gz VDFDCFAJIADLBT-DZGCQCFKSA-N 1 3 260.425 3.011 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001205266988 812923276 /nfs/dbraw/zinc/92/32/76/812923276.db2.gz ZJIQSYQRLJXWTE-MRXNPFEDSA-N 1 3 275.371 3.010 20 0 CGADHO CCOc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1CC ZINC001205273062 812924394 /nfs/dbraw/zinc/92/43/94/812924394.db2.gz DEDMIVBXEYORLN-GOSISDBHSA-N 1 3 290.451 3.351 20 0 CGADHO C[C@@H]1CC[N@H+](CCC(C)(C)c2ccccc2)C[C@H]1CN ZINC001205295955 812935354 /nfs/dbraw/zinc/93/53/54/812935354.db2.gz DDVANNMJNKQDJI-HZPDHXFCSA-N 1 3 274.452 3.271 20 0 CGADHO C[C@@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@H]1CN ZINC001205295955 812935360 /nfs/dbraw/zinc/93/53/60/812935360.db2.gz DDVANNMJNKQDJI-HZPDHXFCSA-N 1 3 274.452 3.271 20 0 CGADHO C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1CN ZINC001205296332 812938357 /nfs/dbraw/zinc/93/83/57/812938357.db2.gz MOUUCOKCASQTGO-DZGCQCFKSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@H]1CN ZINC001205296332 812938365 /nfs/dbraw/zinc/93/83/65/812938365.db2.gz MOUUCOKCASQTGO-DZGCQCFKSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CCN(CCCc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC001205296332 812938370 /nfs/dbraw/zinc/93/83/70/812938370.db2.gz MOUUCOKCASQTGO-DZGCQCFKSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(F)c3ccccc23)C[C@@H]1C[NH3+] ZINC001205303165 812940752 /nfs/dbraw/zinc/94/07/52/812940752.db2.gz ACLYJUKKBYJGSE-HIFRSBDPSA-N 1 3 286.394 3.396 20 0 CGADHO C[C@H]1CCN(Cc2csc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205626757 813031811 /nfs/dbraw/zinc/03/18/11/813031811.db2.gz IXPVXXXAIIZGDQ-CMPLNLGQSA-N 1 3 272.845 3.208 20 0 CGADHO CSC(C)(C)CC[NH2+]CC(C)(C)CN1CCCC1 ZINC001205645550 813039874 /nfs/dbraw/zinc/03/98/74/813039874.db2.gz KCPVLABRHVPOSW-UHFFFAOYSA-N 1 3 272.502 3.230 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCCCc1ccccc1 ZINC001205901704 813123062 /nfs/dbraw/zinc/12/30/62/813123062.db2.gz FNCUKTJYYOKAKY-DOTOQJQBSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCCCc1ccccc1 ZINC001205901704 813123067 /nfs/dbraw/zinc/12/30/67/813123067.db2.gz FNCUKTJYYOKAKY-DOTOQJQBSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cc2ccccc2s1 ZINC001205903012 813125054 /nfs/dbraw/zinc/12/50/54/813125054.db2.gz MTIQCFLBBRIHMM-GXTWGEPZSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914737 813131097 /nfs/dbraw/zinc/13/10/97/813131097.db2.gz NCSGKKXPQCPLHC-ZBFHGGJFSA-N 1 3 290.451 3.423 20 0 CGADHO CCSc1ccccc1CN1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923099 813135727 /nfs/dbraw/zinc/13/57/27/813135727.db2.gz IPYSTFWKHXBDEJ-KBPBESRZSA-N 1 3 278.465 3.358 20 0 CGADHO N[C@@H]1CCCC[N@H+](Cc2cccc3ccccc32)C1 ZINC001205930968 813137777 /nfs/dbraw/zinc/13/77/77/813137777.db2.gz DZEZILDRPRYPBM-MRXNPFEDSA-N 1 3 254.377 3.153 20 0 CGADHO N[C@@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205930968 813137780 /nfs/dbraw/zinc/13/77/80/813137780.db2.gz DZEZILDRPRYPBM-MRXNPFEDSA-N 1 3 254.377 3.153 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C[C@@H]1C ZINC001206110457 813203243 /nfs/dbraw/zinc/20/32/43/813203243.db2.gz XYPGKEJIDAOFNU-OLZOCXBDSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C[C@@H]1C ZINC001206110457 813203246 /nfs/dbraw/zinc/20/32/46/813203246.db2.gz XYPGKEJIDAOFNU-OLZOCXBDSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2c(F)cccc2Cl)CC1 ZINC001206296829 813276418 /nfs/dbraw/zinc/27/64/18/813276418.db2.gz VCHDBLDJGZTIAY-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC001206311551 813285025 /nfs/dbraw/zinc/28/50/25/813285025.db2.gz QNKZURMTARQYMV-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO Cc1cc(CN2CCC[C@@](C)(C[NH3+])CC2)c(Cl)nc1C ZINC001206334918 813292542 /nfs/dbraw/zinc/29/25/42/813292542.db2.gz ASVFJTPZGYRMMD-MRXNPFEDSA-N 1 3 295.858 3.303 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206548085 813346759 /nfs/dbraw/zinc/34/67/59/813346759.db2.gz FWJLDWYQJYCZAB-IBGZPJMESA-N 1 3 298.430 3.496 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206548085 813346766 /nfs/dbraw/zinc/34/67/66/813346766.db2.gz FWJLDWYQJYCZAB-IBGZPJMESA-N 1 3 298.430 3.496 20 0 CGADHO Cc1csc(CN2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206547130 813346789 /nfs/dbraw/zinc/34/67/89/813346789.db2.gz BYILERSYWIMGJK-AWEZNQCLSA-N 1 3 252.427 3.007 20 0 CGADHO Cc1ccc2[nH]cc(CN3CCCC[C@@](C)(C[NH3+])C3)c2c1 ZINC001206547109 813347540 /nfs/dbraw/zinc/34/75/40/813347540.db2.gz BRORVFKZJMXTJT-SFHVURJKSA-N 1 3 285.435 3.427 20 0 CGADHO COc1c(C)cc(CN2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206549386 813349517 /nfs/dbraw/zinc/34/95/17/813349517.db2.gz MDRDIFUOPWFMGS-GOSISDBHSA-N 1 3 290.451 3.263 20 0 CGADHO NC[C@H]1CCCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206606148 813373294 /nfs/dbraw/zinc/37/32/94/813373294.db2.gz FPPZGMGSDUWKHF-OAHLLOKOSA-N 1 3 280.843 3.333 20 0 CGADHO NC[C@H]1CCCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001206606148 813373301 /nfs/dbraw/zinc/37/33/01/813373301.db2.gz FPPZGMGSDUWKHF-OAHLLOKOSA-N 1 3 280.843 3.333 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCCC[C@@H](CN)C2)C1(C)C ZINC001206606246 813373588 /nfs/dbraw/zinc/37/35/88/813373588.db2.gz IBKZYNURLBKXOQ-HOTGVXAUSA-N 1 3 264.457 3.430 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCCC[C@@H](CN)C2)C1(C)C ZINC001206606246 813373596 /nfs/dbraw/zinc/37/35/96/813373596.db2.gz IBKZYNURLBKXOQ-HOTGVXAUSA-N 1 3 264.457 3.430 20 0 CGADHO NC[C@@H]1CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001206641270 813383349 /nfs/dbraw/zinc/38/33/49/813383349.db2.gz VNORUYGLTDUVGU-HNNXBMFYSA-N 1 3 268.404 3.352 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206641270 813383355 /nfs/dbraw/zinc/38/33/55/813383355.db2.gz VNORUYGLTDUVGU-HNNXBMFYSA-N 1 3 268.404 3.352 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001206760837 813426394 /nfs/dbraw/zinc/42/63/94/813426394.db2.gz MQYKZHAHECVKLO-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760837 813426398 /nfs/dbraw/zinc/42/63/98/813426398.db2.gz MQYKZHAHECVKLO-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1CCCc1ccc(Cl)cc1 ZINC001206760837 813426401 /nfs/dbraw/zinc/42/64/01/813426401.db2.gz MQYKZHAHECVKLO-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc(OC(C)(C)C)cc1 ZINC001206767449 813430195 /nfs/dbraw/zinc/43/01/95/813430195.db2.gz BPJMZVXHKMBOJJ-GDBMZVCRSA-N 1 3 290.451 3.423 20 0 CGADHO CCCc1ccc(CN2C[C@H](C[NH3+])CC[C@H]2C)s1 ZINC001206769682 813432203 /nfs/dbraw/zinc/43/22/03/813432203.db2.gz PGCXDHSPFOICCQ-OLZOCXBDSA-N 1 3 266.454 3.260 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001207622556 813619201 /nfs/dbraw/zinc/61/92/01/813619201.db2.gz NCOZFTFMXCHTIM-FZCLSBEQSA-N 1 3 289.467 3.489 20 0 CGADHO CCC1(C)CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001207835351 813656989 /nfs/dbraw/zinc/65/69/89/813656989.db2.gz BEVATHDADMYHBI-VPABYTGTSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001207836235 813658130 /nfs/dbraw/zinc/65/81/30/813658130.db2.gz HUKWPOWGGNCXIQ-DUFGSWQCSA-N 1 3 292.854 3.201 20 0 CGADHO CN(C)CC1(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC001208192610 813737594 /nfs/dbraw/zinc/73/75/94/813737594.db2.gz VZIHZNDSQSYHAX-ZDUSSCGKSA-N 1 3 292.389 3.383 20 0 CGADHO CN(C)CC1(C[N@H+]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC001208192610 813737599 /nfs/dbraw/zinc/73/75/99/813737599.db2.gz VZIHZNDSQSYHAX-ZDUSSCGKSA-N 1 3 292.389 3.383 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC001208882093 813879349 /nfs/dbraw/zinc/87/93/49/813879349.db2.gz HSVOHSNUDUCCPY-ULQDDVLXSA-N 1 3 278.440 3.018 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC001208882093 813879357 /nfs/dbraw/zinc/87/93/57/813879357.db2.gz HSVOHSNUDUCCPY-ULQDDVLXSA-N 1 3 278.440 3.018 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429205 814029493 /nfs/dbraw/zinc/02/94/93/814029493.db2.gz VRXPEAFUEATVII-HUUCEWRRSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429205 814029496 /nfs/dbraw/zinc/02/94/96/814029496.db2.gz VRXPEAFUEATVII-HUUCEWRRSA-N 1 3 264.457 3.371 20 0 CGADHO Cc1ccc2[nH]cc(CN3CCC4(C[NH+](C)C4)CC3)c2c1 ZINC001209500342 814064087 /nfs/dbraw/zinc/06/40/87/814064087.db2.gz VHGFCJOOSRRVJO-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO CN(C)c1ccnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001242687735 823099726 /nfs/dbraw/zinc/09/97/26/823099726.db2.gz HRRJEYNJFBTCPG-OAHLLOKOSA-N 1 3 271.408 3.179 20 0 CGADHO C[C@H]1C[C@@H](Oc2ccc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC001218057539 816078959 /nfs/dbraw/zinc/07/89/59/816078959.db2.gz SARBBJGAUBFXJM-HOCLYGCPSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2ccccc2c1CN(C)C ZINC001218482708 816237601 /nfs/dbraw/zinc/23/76/01/816237601.db2.gz MAJYUHYQADOYRU-KUHUBIRLSA-N 1 3 298.430 3.278 20 0 CGADHO C[NH2+]Cc1ccc(-c2nc(C)cc3[nH]ccc32)cc1 ZINC001242990139 823199928 /nfs/dbraw/zinc/19/99/28/823199928.db2.gz JEOIGIOWDMNZMG-UHFFFAOYSA-N 1 3 251.333 3.258 20 0 CGADHO CC/C=C\CCCCC[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615535 816478836 /nfs/dbraw/zinc/47/88/36/816478836.db2.gz QZMPWVDVVYZYRA-MYIWKSEUSA-N 1 3 250.430 3.197 20 0 CGADHO CC/C=C\CCCCC[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222615535 816478837 /nfs/dbraw/zinc/47/88/37/816478837.db2.gz QZMPWVDVVYZYRA-MYIWKSEUSA-N 1 3 250.430 3.197 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615197 816478971 /nfs/dbraw/zinc/47/89/71/816478971.db2.gz MXEGDEYULMDEHW-HDEZJCGLSA-N 1 3 290.838 3.127 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615197 816478976 /nfs/dbraw/zinc/47/89/76/816478976.db2.gz MXEGDEYULMDEHW-HDEZJCGLSA-N 1 3 290.838 3.127 20 0 CGADHO Cc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)cc1Cl ZINC001222629918 816483964 /nfs/dbraw/zinc/48/39/64/816483964.db2.gz RWOULSBIGWJBJQ-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO CC[C@@H]1CC[N@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232148418 818264723 /nfs/dbraw/zinc/26/47/23/818264723.db2.gz CJTFBCWPYJRQRG-CYBMUJFWSA-N 1 3 264.388 3.119 20 0 CGADHO CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(CN(C)C)c2)C1 ZINC001232148418 818264727 /nfs/dbraw/zinc/26/47/27/818264727.db2.gz CJTFBCWPYJRQRG-CYBMUJFWSA-N 1 3 264.388 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](C)CC(C)(C)C)c1 ZINC001232145831 818264748 /nfs/dbraw/zinc/26/47/48/818264748.db2.gz BNCLOZJYVXNWDA-UHFFFAOYSA-N 1 3 266.404 3.365 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)CC(C)(C)C)c1 ZINC001232145831 818264755 /nfs/dbraw/zinc/26/47/55/818264755.db2.gz BNCLOZJYVXNWDA-UHFFFAOYSA-N 1 3 266.404 3.365 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(C3CC3)cc1)CC2 ZINC001232985238 818491475 /nfs/dbraw/zinc/49/14/75/818491475.db2.gz AARKIKXQWNGTRM-UHFFFAOYSA-N 1 3 270.420 3.092 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235032409 818984641 /nfs/dbraw/zinc/98/46/41/818984641.db2.gz LLYSHTAKCJEQEU-LJQANCHMSA-N 1 3 280.415 3.334 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235040524 818988462 /nfs/dbraw/zinc/98/84/62/818988462.db2.gz LJLKESOUROEULE-GOSISDBHSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1CC2(C1)CC[NH2+]CC2 ZINC001235093049 818999744 /nfs/dbraw/zinc/99/97/44/818999744.db2.gz NZOOSGLFDPUBQE-UHFFFAOYSA-N 1 3 278.827 3.142 20 0 CGADHO c1cc(C[N@@H+]2CCCC23CCNCC3)c2c(c1)CCCC2 ZINC001235144398 819015777 /nfs/dbraw/zinc/01/57/77/819015777.db2.gz KSSZWSMAGUJIHK-UHFFFAOYSA-N 1 3 284.447 3.283 20 0 CGADHO c1cc(C[N@H+]2CCCC23CCNCC3)c2c(c1)CCCC2 ZINC001235144398 819015779 /nfs/dbraw/zinc/01/57/79/819015779.db2.gz KSSZWSMAGUJIHK-UHFFFAOYSA-N 1 3 284.447 3.283 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235399275 819084396 /nfs/dbraw/zinc/08/43/96/819084396.db2.gz AELFDZKKIBFWDY-HRCADAONSA-N 1 3 270.436 3.226 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235399275 819084401 /nfs/dbraw/zinc/08/44/01/819084401.db2.gz AELFDZKKIBFWDY-HRCADAONSA-N 1 3 270.436 3.226 20 0 CGADHO Cc1cc(C)c(CN2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1 ZINC001235406829 819088469 /nfs/dbraw/zinc/08/84/69/819088469.db2.gz RBEQMXHNWXKJSS-ZWKOTPCHSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)c(C)c1 ZINC001235406829 819088475 /nfs/dbraw/zinc/08/84/75/819088475.db2.gz RBEQMXHNWXKJSS-ZWKOTPCHSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)c(C)c1 ZINC001235406829 819088479 /nfs/dbraw/zinc/08/84/79/819088479.db2.gz RBEQMXHNWXKJSS-ZWKOTPCHSA-N 1 3 290.426 3.135 20 0 CGADHO CN(CCC[NH3+])Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001235435286 819097776 /nfs/dbraw/zinc/09/77/76/819097776.db2.gz HEIFKNSLAVWFJJ-UHFFFAOYSA-N 1 3 273.424 3.246 20 0 CGADHO CCCCN(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235662881 819131639 /nfs/dbraw/zinc/13/16/39/819131639.db2.gz CTYAXVXOFLZTHZ-QGZVFWFLSA-N 1 3 260.425 3.288 20 0 CGADHO Cc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)c(F)c1 ZINC001235705429 819147078 /nfs/dbraw/zinc/14/70/78/819147078.db2.gz IOYOHRJEKVTQLG-UHFFFAOYSA-N 1 3 290.426 3.346 20 0 CGADHO Cc1c(C)c(C)c(CN(C)C[C@@H]2CC[NH2+]C2)c(C)c1C ZINC001235842836 819185473 /nfs/dbraw/zinc/18/54/73/819185473.db2.gz RVPBUGHUBHYIGG-QGZVFWFLSA-N 1 3 274.452 3.270 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H]2CCN)cc1 ZINC001235925710 819224835 /nfs/dbraw/zinc/22/48/35/819224835.db2.gz XYXQXZKDLCMSQS-KRWDZBQOSA-N 1 3 260.425 3.166 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H]2CCN)cc1 ZINC001235925710 819224839 /nfs/dbraw/zinc/22/48/39/819224839.db2.gz XYXQXZKDLCMSQS-KRWDZBQOSA-N 1 3 260.425 3.166 20 0 CGADHO Cc1ccc(-c2ccc(CN3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)o1 ZINC001235937493 819231874 /nfs/dbraw/zinc/23/18/74/819231874.db2.gz IFIZVNZQENBHBX-QZTJIDSGSA-N 1 3 296.414 3.296 20 0 CGADHO c1ccc(CCN(Cc2ccccc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235948621 819237253 /nfs/dbraw/zinc/23/72/53/819237253.db2.gz RGCANXFTOFUGRK-HXUWFJFHSA-N 1 3 294.442 3.341 20 0 CGADHO CC[C@@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001235949884 819240663 /nfs/dbraw/zinc/24/06/63/819240663.db2.gz WSEDGBIBWCHMSF-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO CC[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001235949884 819240669 /nfs/dbraw/zinc/24/06/69/819240669.db2.gz WSEDGBIBWCHMSF-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO CCCCCN(CCCCC)Cc1c[nH]c(N)[nH+]1 ZINC001235962552 819251829 /nfs/dbraw/zinc/25/18/29/819251829.db2.gz MSJNEAFHLQFRSP-UHFFFAOYSA-N 1 3 252.406 3.174 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235977629 819256381 /nfs/dbraw/zinc/25/63/81/819256381.db2.gz GZJVVBSAYPFWIE-WBMJQRKESA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235977629 819256388 /nfs/dbraw/zinc/25/63/88/819256388.db2.gz GZJVVBSAYPFWIE-WBMJQRKESA-N 1 3 272.417 3.133 20 0 CGADHO Clc1cccc2c1CN(CCC1CC[NH2+]CC1)CC2 ZINC001236079439 819305522 /nfs/dbraw/zinc/30/55/22/819305522.db2.gz SANPZNYGODIJQC-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO CC1(CN2CCC[C@@H]2c2c(F)cccc2F)CC[NH2+]CC1 ZINC001236189833 819363322 /nfs/dbraw/zinc/36/33/22/819363322.db2.gz OVVURWDECGAVQN-OAHLLOKOSA-N 1 3 294.389 3.491 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236213660 819376541 /nfs/dbraw/zinc/37/65/41/819376541.db2.gz OJCCMGOOJSFMFH-RBUKOAKNSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCCC[C@@H]1N ZINC001236213660 819376547 /nfs/dbraw/zinc/37/65/47/819376547.db2.gz OJCCMGOOJSFMFH-RBUKOAKNSA-N 1 3 295.430 3.450 20 0 CGADHO Cc1ccc2cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)ccc2n1 ZINC001236214838 819378714 /nfs/dbraw/zinc/37/87/14/819378714.db2.gz FRKZZJRXTHAHIC-SJLPKXTDSA-N 1 3 283.419 3.245 20 0 CGADHO Cc1ccc2cc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)ccc2n1 ZINC001236214838 819378719 /nfs/dbraw/zinc/37/87/19/819378719.db2.gz FRKZZJRXTHAHIC-SJLPKXTDSA-N 1 3 283.419 3.245 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2N)c(C)c1C ZINC001236217374 819383066 /nfs/dbraw/zinc/38/30/66/819383066.db2.gz OQPZZYUGEBVWBN-IAGOWNOFSA-N 1 3 290.451 3.322 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)c(C)c1C ZINC001236217374 819383068 /nfs/dbraw/zinc/38/30/68/819383068.db2.gz OQPZZYUGEBVWBN-IAGOWNOFSA-N 1 3 290.451 3.322 20 0 CGADHO C[N@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@H]1N ZINC001236218503 819383957 /nfs/dbraw/zinc/38/39/57/819383957.db2.gz SINUQJPPLJSUJY-SJORKVTESA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@H]1N ZINC001236218503 819383961 /nfs/dbraw/zinc/38/39/61/819383961.db2.gz SINUQJPPLJSUJY-SJORKVTESA-N 1 3 258.409 3.266 20 0 CGADHO c1ccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236375047 819442207 /nfs/dbraw/zinc/44/22/07/819442207.db2.gz UUTVNHAWABSECR-QGZVFWFLSA-N 1 3 272.436 3.431 20 0 CGADHO c1ccc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236375047 819442212 /nfs/dbraw/zinc/44/22/12/819442212.db2.gz UUTVNHAWABSECR-QGZVFWFLSA-N 1 3 272.436 3.431 20 0 CGADHO Clc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236635034 819556348 /nfs/dbraw/zinc/55/63/48/819556348.db2.gz ZZHMGIVUCCOFJM-UHFFFAOYSA-N 1 3 278.827 3.447 20 0 CGADHO CCCN(Cc1cc(C)c(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236842958 819618773 /nfs/dbraw/zinc/61/87/73/819618773.db2.gz IIUCHUJQDQLAIW-QGZVFWFLSA-N 1 3 274.452 3.433 20 0 CGADHO CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc([O-])cc(F)c2)CC1 ZINC001237279918 819716093 /nfs/dbraw/zinc/71/60/93/819716093.db2.gz WCNHFSAFINMTGT-UHFFFAOYSA-N 1 3 294.414 3.084 20 0 CGADHO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc([O-])cc(F)c2)CC1 ZINC001237279918 819716096 /nfs/dbraw/zinc/71/60/96/819716096.db2.gz WCNHFSAFINMTGT-UHFFFAOYSA-N 1 3 294.414 3.084 20 0 CGADHO Clc1cccc(CCCN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237382695 819737789 /nfs/dbraw/zinc/73/77/89/819737789.db2.gz MRLNUAVKTCDOCC-RDJZCZTQSA-N 1 3 292.854 3.347 20 0 CGADHO Fc1cc(C2=CCC[NH2+]C2)ccc1CN1CCCCC1 ZINC001240671352 821232656 /nfs/dbraw/zinc/23/26/56/821232656.db2.gz SOFYCQBFCFTPEU-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO CCc1c(C)cc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1C ZINC001240740528 821292518 /nfs/dbraw/zinc/29/25/18/821292518.db2.gz CXPHJPYALMQBOO-UHFFFAOYSA-N 1 3 295.430 3.337 20 0 CGADHO C[N@H+]1CC=C(c2ccc(CN3CCCC3)c(F)c2)CC1 ZINC001241331411 821737979 /nfs/dbraw/zinc/73/79/79/821737979.db2.gz AFXFBBIIWRKQDP-UHFFFAOYSA-N 1 3 274.383 3.140 20 0 CGADHO C[N@@H+]1CC=C(c2ccc(CN3CCCC3)c(F)c2)CC1 ZINC001241331411 821737983 /nfs/dbraw/zinc/73/79/83/821737983.db2.gz AFXFBBIIWRKQDP-UHFFFAOYSA-N 1 3 274.383 3.140 20 0 CGADHO CC[N@@H+]1CCCC[C@H]1c1ccc(C2=CCCN(C)C2)nc1 ZINC001241569355 821953863 /nfs/dbraw/zinc/95/38/63/821953863.db2.gz VRTKBGKRXSRRPR-SFHVURJKSA-N 1 3 285.435 3.347 20 0 CGADHO CC[N@H+]1CCCC[C@H]1c1ccc(C2=CCCN(C)C2)nc1 ZINC001241569355 821953871 /nfs/dbraw/zinc/95/38/71/821953871.db2.gz VRTKBGKRXSRRPR-SFHVURJKSA-N 1 3 285.435 3.347 20 0 CGADHO COc1ccc(C[C@@H](C)N(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001341476380 936439288 /nfs/dbraw/zinc/43/92/88/936439288.db2.gz RJEBSORIMSSDSY-NVXWUHKLSA-N 1 3 290.451 3.042 20 0 CGADHO COc1ccc(C[C@@H](C)N(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001341476380 936439290 /nfs/dbraw/zinc/43/92/90/936439290.db2.gz RJEBSORIMSSDSY-NVXWUHKLSA-N 1 3 290.451 3.042 20 0 CGADHO Fc1ccc(CCNC2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC001342181715 936461863 /nfs/dbraw/zinc/46/18/63/936461863.db2.gz YRIJGXBRZGHORQ-UHFFFAOYSA-N 1 3 294.389 3.114 20 0 CGADHO COc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1Cl ZINC001353900515 937081126 /nfs/dbraw/zinc/08/11/26/937081126.db2.gz YMIVWMZBMFCBDU-ZDUSSCGKSA-N 1 3 296.842 3.311 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001473964862 937832729 /nfs/dbraw/zinc/83/27/29/937832729.db2.gz OWPCISCNPJBMME-AWEZNQCLSA-N 1 3 266.454 3.186 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@@H]1CCC[C@@H](C)C1 ZINC001460254201 937522823 /nfs/dbraw/zinc/52/28/23/937522823.db2.gz SOEMLMCSPQNERV-QKPAOTATSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H](C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1)C(C)(C)C ZINC001460710904 937540866 /nfs/dbraw/zinc/54/08/66/937540866.db2.gz QJWXKIOORBNAJA-CABCVRRESA-N 1 3 275.440 3.274 20 0 CGADHO C[C@H](C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1)C(C)(C)C ZINC001460710904 937540868 /nfs/dbraw/zinc/54/08/68/937540868.db2.gz QJWXKIOORBNAJA-CABCVRRESA-N 1 3 275.440 3.274 20 0 CGADHO Cc1csc(CNC2CCC([NH+]3CCCCC3)CC2)n1 ZINC001461256925 937572570 /nfs/dbraw/zinc/57/25/70/937572570.db2.gz MPRCDWQDFYSJSA-UHFFFAOYSA-N 1 3 293.480 3.338 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@@H]2C1 ZINC001461828067 937599965 /nfs/dbraw/zinc/59/99/65/937599965.db2.gz HYSFUMQXSAGTNR-NWANDNLSSA-N 1 3 292.492 3.475 20 0 CGADHO CCC(C)(C)C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462085761 937616784 /nfs/dbraw/zinc/61/67/84/937616784.db2.gz RDOQWDPQTBUVGN-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@@H]2C1 ZINC001308553200 933130453 /nfs/dbraw/zinc/13/04/53/933130453.db2.gz IOXDZUFHGSYPHV-GZBFAFLISA-N 1 3 298.352 3.135 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(CC)C1 ZINC001319190898 933838959 /nfs/dbraw/zinc/83/89/59/933838959.db2.gz UFVUUXNKUGIVAH-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC001319282512 933852308 /nfs/dbraw/zinc/85/23/08/933852308.db2.gz MSCOBGOPJKFKTN-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2cccc(C)c2)C1 ZINC001319282512 933852315 /nfs/dbraw/zinc/85/23/15/933852315.db2.gz MSCOBGOPJKFKTN-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)nc2C)C1 ZINC001319743182 933925761 /nfs/dbraw/zinc/92/57/61/933925761.db2.gz FQOVHYXEBCAGTR-HOCLYGCPSA-N 1 3 275.440 3.081 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(CC)C2)s1 ZINC001319755774 933926919 /nfs/dbraw/zinc/92/69/19/933926919.db2.gz SWWYZJNQRLPGIU-OCCSQVGLSA-N 1 3 295.496 3.396 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H](c2cccnc2)C2CCC2)C1 ZINC001322474275 934303180 /nfs/dbraw/zinc/30/31/80/934303180.db2.gz CJWQXROJHRHKSE-YJBOKZPZSA-N 1 3 287.451 3.244 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H](c2cccnc2)C2CCC2)C1 ZINC001322474275 934303185 /nfs/dbraw/zinc/30/31/85/934303185.db2.gz CJWQXROJHRHKSE-YJBOKZPZSA-N 1 3 287.451 3.244 20 0 CGADHO Fc1cccc(Cl)c1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001325279727 934900513 /nfs/dbraw/zinc/90/05/13/934900513.db2.gz YXCFATRBIDARPW-STQMWFEESA-N 1 3 296.817 3.238 20 0 CGADHO Fc1cccc(Cl)c1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001325279727 934900515 /nfs/dbraw/zinc/90/05/15/934900515.db2.gz YXCFATRBIDARPW-STQMWFEESA-N 1 3 296.817 3.238 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001325742060 934925568 /nfs/dbraw/zinc/92/55/68/934925568.db2.gz AMASQCUMDSMPNI-NEPJUHHUSA-N 1 3 288.357 3.224 20 0 CGADHO c1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327537788 935067837 /nfs/dbraw/zinc/06/78/37/935067837.db2.gz INECWWKDMXFOCK-WMLDXEAASA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc(C2CCC(C[NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC001327617584 935074344 /nfs/dbraw/zinc/07/43/44/935074344.db2.gz UXHSELJPCMJDOX-UHFFFAOYSA-N 1 3 284.447 3.302 20 0 CGADHO c1ccc(C2CCC(CNCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC001327617584 935074351 /nfs/dbraw/zinc/07/43/51/935074351.db2.gz UXHSELJPCMJDOX-UHFFFAOYSA-N 1 3 284.447 3.302 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329499025 935220761 /nfs/dbraw/zinc/22/07/61/935220761.db2.gz MBRNBYGMOLCPTH-ZDUSSCGKSA-N 1 3 294.389 3.491 20 0 CGADHO FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3CCNC[C@H]3C3CCCC3)C[C@@H]21 ZINC001332879230 935493708 /nfs/dbraw/zinc/49/37/08/935493708.db2.gz PPQNYZVVPHZYNW-ARKGTOAJSA-N 1 3 298.421 3.178 20 0 CGADHO Cc1cc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC001333161703 935515006 /nfs/dbraw/zinc/51/50/06/935515006.db2.gz RKONTRDPLYNFHS-HNNXBMFYSA-N 1 3 266.454 3.253 20 0 CGADHO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCCN2CCCC2)C12CCC2 ZINC001333441152 935535658 /nfs/dbraw/zinc/53/56/58/935535658.db2.gz KLELMHZWLFKHEI-HOTGVXAUSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)C12CCC2 ZINC001333441158 935535706 /nfs/dbraw/zinc/53/57/06/935535706.db2.gz KLELMHZWLFKHEI-JKSUJKDBSA-N 1 3 294.483 3.188 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001474302059 937849807 /nfs/dbraw/zinc/84/98/07/937849807.db2.gz RWKYEXBFGRTYNE-QTPCEWDRSA-N 1 3 264.457 3.275 20 0 CGADHO COC[C@@H](CC(C)(C)C)NCCC[N@H+](C)CC(C)C ZINC001474611638 937870390 /nfs/dbraw/zinc/87/03/90/937870390.db2.gz MXXPUKZNKMWVTG-OAHLLOKOSA-N 1 3 272.477 3.005 20 0 CGADHO COC[C@@H](CC(C)(C)C)NCCC[N@@H+](C)CC(C)C ZINC001474611638 937870391 /nfs/dbraw/zinc/87/03/91/937870391.db2.gz MXXPUKZNKMWVTG-OAHLLOKOSA-N 1 3 272.477 3.005 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](N)[C@H](c3ccc(F)cc3)C2)s1 ZINC001549037170 938154620 /nfs/dbraw/zinc/15/46/20/938154620.db2.gz POJIUYKXXFZAAT-HOTGVXAUSA-N 1 3 290.407 3.122 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](N)[C@H](c3ccc(F)cc3)C2)s1 ZINC001549037170 938154621 /nfs/dbraw/zinc/15/46/21/938154621.db2.gz POJIUYKXXFZAAT-HOTGVXAUSA-N 1 3 290.407 3.122 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001550546522 938168052 /nfs/dbraw/zinc/16/80/52/938168052.db2.gz CLIFPSBTKCBIRM-HOTGVXAUSA-N 1 3 294.483 3.140 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001553026280 938196093 /nfs/dbraw/zinc/19/60/93/938196093.db2.gz RDMCDOURJLRISO-YQEWQEHLSA-N 1 3 270.420 3.101 20 0 CGADHO Cc1ccc(CCN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001560108392 938244258 /nfs/dbraw/zinc/24/42/58/938244258.db2.gz BCJKGYMVFLQBSP-KRWDZBQOSA-N 1 3 295.430 3.143 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001561053101 938292375 /nfs/dbraw/zinc/29/23/75/938292375.db2.gz SHYTXASVHDSVPX-AKHDSKFASA-N 1 3 286.463 3.328 20 0 CGADHO C1=CCC[C@H](C[NH2+]Cc2nc3c(s2)CNCC3)CCC1 ZINC001574774186 960469208 /nfs/dbraw/zinc/46/92/08/960469208.db2.gz IVYWAZBHUDIYAN-ZDUSSCGKSA-N 1 3 291.464 3.015 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(CC2CCC2)c1 ZINC001576153676 962436699 /nfs/dbraw/zinc/43/66/99/962436699.db2.gz XKWUGDRXHKLRRA-UONOGXRCSA-N 1 3 260.425 3.245 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCCSCc1ccccc1 ZINC001576481821 962464925 /nfs/dbraw/zinc/46/49/25/962464925.db2.gz CQFRGOSBOVCFKA-INIZCTEOSA-N 1 3 292.492 3.288 20 0 CGADHO CC(C)(C)OC1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC001576518762 962467155 /nfs/dbraw/zinc/46/71/55/962467155.db2.gz GSSSJKDDROVRNS-VMBOVVBDSA-N 1 3 282.472 3.092 20 0 CGADHO C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc(C[NH3+])c1 ZINC001576584051 962477207 /nfs/dbraw/zinc/47/72/07/962477207.db2.gz SRTBVCOSQRHDEF-SMDDNHRTSA-N 1 3 286.341 3.308 20 0 CGADHO CC[C@@H]1CCCC[C@H]1N(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254469 962521035 /nfs/dbraw/zinc/52/10/35/962521035.db2.gz LIUPQDQHFMPLCW-TZMCWYRMSA-N 1 3 293.480 3.189 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32CN)s1 ZINC001577608630 962555624 /nfs/dbraw/zinc/55/56/24/962555624.db2.gz JNSYDNGUVAQATQ-IUODEOHRSA-N 1 3 264.438 3.014 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32CN)s1 ZINC001577608630 962555639 /nfs/dbraw/zinc/55/56/39/962555639.db2.gz JNSYDNGUVAQATQ-IUODEOHRSA-N 1 3 264.438 3.014 20 0 CGADHO CCOc1cc(F)cc(CN2CCC(CC[NH2+]C)CC2)c1 ZINC001578168317 962570779 /nfs/dbraw/zinc/57/07/79/962570779.db2.gz GQCLFURKXJTLGG-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001580027149 962691892 /nfs/dbraw/zinc/69/18/92/962691892.db2.gz KCKYKZMLQJRQMR-IASZTOCISA-N 1 3 288.410 3.134 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1C ZINC000273087818 192039604 /nfs/dbraw/zinc/03/96/04/192039604.db2.gz QUGVOAQQRLPPJY-HNNXBMFYSA-N 1 3 276.424 3.140 20 0 CGADHO CCCC[NH+]1CCC(N[C@H](COC)CC(C)(C)C)CC1 ZINC000651688759 398269718 /nfs/dbraw/zinc/26/97/18/398269718.db2.gz WXWQUIBVJUCYTJ-INIZCTEOSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H]([NH2+]CC1CC(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000621771327 349584655 /nfs/dbraw/zinc/58/46/55/349584655.db2.gz CIZCKGSJLJHDJP-PCKAHOCUSA-N 1 3 290.451 3.324 20 0 CGADHO CC[C@@H]1C[C@H](C[N@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463214 529441499 /nfs/dbraw/zinc/44/14/99/529441499.db2.gz YYZPDYFMEMPBGK-QZTJIDSGSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@@H]1C[C@H](C[N@@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463214 529441502 /nfs/dbraw/zinc/44/15/02/529441502.db2.gz YYZPDYFMEMPBGK-QZTJIDSGSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@@H]1C[C@H](CN(CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463214 529441505 /nfs/dbraw/zinc/44/15/05/529441505.db2.gz YYZPDYFMEMPBGK-QZTJIDSGSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423476231 529453252 /nfs/dbraw/zinc/45/32/52/529453252.db2.gz SEVAFNPYRGSZPY-ROUUACIJSA-N 1 3 268.404 3.297 20 0 CGADHO CCc1cc(NC2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000450361605 529505151 /nfs/dbraw/zinc/50/51/51/529505151.db2.gz CYZDCTYVZPFARH-UHFFFAOYSA-N 1 3 287.451 3.275 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459033 529569249 /nfs/dbraw/zinc/56/92/49/529569249.db2.gz HLRGSHYUQNVSNT-ZYHUDNBSSA-N 1 3 288.407 3.432 20 0 CGADHO CC[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423256912 529605604 /nfs/dbraw/zinc/60/56/04/529605604.db2.gz GPIUTRYCHCBQRH-LRDDRELGSA-N 1 3 282.378 3.395 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1C[C@@H]1C ZINC000414060202 529630577 /nfs/dbraw/zinc/63/05/77/529630577.db2.gz JFEIZQXFXUQSFP-XKQJLSEDSA-N 1 3 260.425 3.272 20 0 CGADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423308209 529617627 /nfs/dbraw/zinc/61/76/27/529617627.db2.gz OHFFMBDCJJDXBQ-MFKMUULPSA-N 1 3 290.329 3.221 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OC)c(OC)c1 ZINC000424374865 529655917 /nfs/dbraw/zinc/65/59/17/529655917.db2.gz LUXVHDPSYGPPAN-QLFBSQMISA-N 1 3 292.423 3.014 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2ccc3ccccc3n2)CC1(C)C ZINC000623383944 349795256 /nfs/dbraw/zinc/79/52/56/349795256.db2.gz IKHXEQJGSKGEQP-KRWDZBQOSA-N 1 3 297.446 3.240 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2ccc3ccccc3n2)CC1(C)C ZINC000623383944 349795262 /nfs/dbraw/zinc/79/52/62/349795262.db2.gz IKHXEQJGSKGEQP-KRWDZBQOSA-N 1 3 297.446 3.240 20 0 CGADHO CCc1ccc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000414182464 529721312 /nfs/dbraw/zinc/72/13/12/529721312.db2.gz NHIFKHVPXFXGMQ-KBPBESRZSA-N 1 3 264.413 3.225 20 0 CGADHO CCc1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000414182464 529721313 /nfs/dbraw/zinc/72/13/13/529721313.db2.gz NHIFKHVPXFXGMQ-KBPBESRZSA-N 1 3 264.413 3.225 20 0 CGADHO CCc1ccc([C@H](CC)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423408115 529722649 /nfs/dbraw/zinc/72/26/49/529722649.db2.gz WZKRSJHFYOBXHX-XOKHGSTOSA-N 1 3 260.425 3.288 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423408115 529722650 /nfs/dbraw/zinc/72/26/50/529722650.db2.gz WZKRSJHFYOBXHX-XOKHGSTOSA-N 1 3 260.425 3.288 20 0 CGADHO CN(CCCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000358331826 529895779 /nfs/dbraw/zinc/89/57/79/529895779.db2.gz AWDXRGUCFQLNAL-HNNXBMFYSA-N 1 3 296.842 3.183 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C)c1ccc(F)cc1C(F)(F)F ZINC000623850083 349895537 /nfs/dbraw/zinc/89/55/37/349895537.db2.gz XLLJLYGTNCFLBJ-JTQLQIEISA-N 1 3 292.320 3.447 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccccc1F)CN1CCCCC1 ZINC000157358031 232233207 /nfs/dbraw/zinc/23/32/07/232233207.db2.gz DZYIUHGUZRQMHH-HZPDHXFCSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](CN[C@H](C)Cc1ccccc1F)C[NH+]1CCCCC1 ZINC000157358031 232233210 /nfs/dbraw/zinc/23/32/10/232233210.db2.gz DZYIUHGUZRQMHH-HZPDHXFCSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000157358335 232233521 /nfs/dbraw/zinc/23/35/21/232233521.db2.gz DZYIUHGUZRQMHH-JKSUJKDBSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@H](C)C[NH+]1CCCCC1 ZINC000157358335 232233524 /nfs/dbraw/zinc/23/35/24/232233524.db2.gz DZYIUHGUZRQMHH-JKSUJKDBSA-N 1 3 292.442 3.468 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCc2ccccc2)C1 ZINC000081635273 345716303 /nfs/dbraw/zinc/71/63/03/345716303.db2.gz NSOMYOLFQNKKJG-LJQANCHMSA-N 1 3 286.463 3.283 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCc2ccccc2)C1 ZINC000081635273 345716305 /nfs/dbraw/zinc/71/63/05/345716305.db2.gz NSOMYOLFQNKKJG-LJQANCHMSA-N 1 3 286.463 3.283 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081635273 345716307 /nfs/dbraw/zinc/71/63/07/345716307.db2.gz NSOMYOLFQNKKJG-LJQANCHMSA-N 1 3 286.463 3.283 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081635273 345716309 /nfs/dbraw/zinc/71/63/09/345716309.db2.gz NSOMYOLFQNKKJG-LJQANCHMSA-N 1 3 286.463 3.283 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090234350 345786477 /nfs/dbraw/zinc/78/64/77/345786477.db2.gz WTUQQCQLGXQRGF-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090234350 345786479 /nfs/dbraw/zinc/78/64/79/345786479.db2.gz WTUQQCQLGXQRGF-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090234350 345786482 /nfs/dbraw/zinc/78/64/82/345786482.db2.gz WTUQQCQLGXQRGF-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000227031794 346308293 /nfs/dbraw/zinc/30/82/93/346308293.db2.gz LEFLQAALBPKWLU-WBVHZDCISA-N 1 3 290.451 3.033 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000250510954 346385853 /nfs/dbraw/zinc/38/58/53/346385853.db2.gz OVQQFLWKHBTETD-PVAVHDDUSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000252212520 346390658 /nfs/dbraw/zinc/39/06/58/346390658.db2.gz YLOZNUQOEVGDRY-QKPAOTATSA-N 1 3 252.446 3.131 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188318 370652560 /nfs/dbraw/zinc/65/25/60/370652560.db2.gz QTJFBVMSRBBMAK-MZMPZRCHSA-N 1 3 288.435 3.219 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)cc1 ZINC000119188318 370652565 /nfs/dbraw/zinc/65/25/65/370652565.db2.gz QTJFBVMSRBBMAK-MZMPZRCHSA-N 1 3 288.435 3.219 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000589637019 346804175 /nfs/dbraw/zinc/80/41/75/346804175.db2.gz YVXKBQQSHCYZLS-UHFFFAOYSA-N 1 3 283.419 3.197 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423282829 302312002 /nfs/dbraw/zinc/31/20/02/302312002.db2.gz WLINGDUVPAGBJG-YNEHKIRRSA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423282829 302312005 /nfs/dbraw/zinc/31/20/05/302312005.db2.gz WLINGDUVPAGBJG-YNEHKIRRSA-N 1 3 252.427 3.225 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000594784483 347216533 /nfs/dbraw/zinc/21/65/33/347216533.db2.gz MRSCCJHSZDMJCS-HKBKRHGFSA-N 1 3 258.409 3.021 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000594784483 347216536 /nfs/dbraw/zinc/21/65/36/347216536.db2.gz MRSCCJHSZDMJCS-HKBKRHGFSA-N 1 3 258.409 3.021 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624120097 349976560 /nfs/dbraw/zinc/97/65/60/349976560.db2.gz RGHIRDAEJSNEDH-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624119764 349976854 /nfs/dbraw/zinc/97/68/54/349976854.db2.gz JBHQBYMFBVPJPT-KBPBESRZSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120510 349976909 /nfs/dbraw/zinc/97/69/09/349976909.db2.gz ARIKGBPBVVKPEL-ZFWWWQNUSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120510 349976913 /nfs/dbraw/zinc/97/69/13/349976913.db2.gz ARIKGBPBVVKPEL-ZFWWWQNUSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H](Cc1ccsc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120510 349976916 /nfs/dbraw/zinc/97/69/16/349976916.db2.gz ARIKGBPBVVKPEL-ZFWWWQNUSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000351863692 219230879 /nfs/dbraw/zinc/23/08/79/219230879.db2.gz UOHLYVPLCHOTFW-NVXWUHKLSA-N 1 3 298.430 3.278 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000624122985 349981109 /nfs/dbraw/zinc/98/11/09/349981109.db2.gz CHXXXSFOYBPITN-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000624123071 349981804 /nfs/dbraw/zinc/98/18/04/349981804.db2.gz FHYGTUOJPDOICU-MRXNPFEDSA-N 1 3 286.463 3.256 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H](C)c1ccc(F)cc1 ZINC000339409766 215154602 /nfs/dbraw/zinc/15/46/02/215154602.db2.gz NNZMQCKZHQODSS-BBRMVZONSA-N 1 3 266.404 3.234 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000358381584 233120497 /nfs/dbraw/zinc/12/04/97/233120497.db2.gz MHKUPBLUQOOMCI-VNHYZAJKSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000358381584 233120501 /nfs/dbraw/zinc/12/05/01/233120501.db2.gz MHKUPBLUQOOMCI-VNHYZAJKSA-N 1 3 264.388 3.267 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359742 191095256 /nfs/dbraw/zinc/09/52/56/191095256.db2.gz ZUHQDAWKPGLCFO-RDJZCZTQSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000271359742 191095258 /nfs/dbraw/zinc/09/52/58/191095258.db2.gz ZUHQDAWKPGLCFO-RDJZCZTQSA-N 1 3 276.399 3.099 20 0 CGADHO CCC[C@@H](NCCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629538451 350705631 /nfs/dbraw/zinc/70/56/31/350705631.db2.gz JUALKFPSJSCRJY-OAHLLOKOSA-N 1 3 284.831 3.136 20 0 CGADHO Cc1cccc(C[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540746 350707359 /nfs/dbraw/zinc/70/73/59/350707359.db2.gz SPBLITMEICDWLS-QGTPRVQTSA-N 1 3 272.436 3.046 20 0 CGADHO CC(C)(C)CCCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565642 350714026 /nfs/dbraw/zinc/71/40/26/350714026.db2.gz WSKGJDGSIYCFLH-VXGBXAGGSA-N 1 3 280.378 3.272 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000629407466 350689064 /nfs/dbraw/zinc/68/90/64/350689064.db2.gz AUHOINFJYVRGRQ-GCDKYVQMSA-N 1 3 272.436 3.299 20 0 CGADHO Cc1scc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1C ZINC000631206303 350991488 /nfs/dbraw/zinc/99/14/88/350991488.db2.gz KFOCXDHEIALSHA-AWEZNQCLSA-N 1 3 266.454 3.327 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000631659520 351108615 /nfs/dbraw/zinc/10/86/15/351108615.db2.gz RPAIVYGCXBNLLG-GDBMZVCRSA-N 1 3 278.415 3.235 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631891054 351152609 /nfs/dbraw/zinc/15/26/09/351152609.db2.gz VRFXBZAAHQBVNR-AOIWGVFYSA-N 1 3 284.447 3.180 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631891054 351152612 /nfs/dbraw/zinc/15/26/12/351152612.db2.gz VRFXBZAAHQBVNR-AOIWGVFYSA-N 1 3 284.447 3.180 20 0 CGADHO CC[C@H](COC)NCc1ccccc1C[NH+]1CCCCC1 ZINC000120218100 186883644 /nfs/dbraw/zinc/88/36/44/186883644.db2.gz YAGZCOWZZPARRJ-GOSISDBHSA-N 1 3 290.451 3.187 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000635004087 351621568 /nfs/dbraw/zinc/62/15/68/351621568.db2.gz NDFOIICMQOMILC-MWDXBVQZSA-N 1 3 258.409 3.182 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CCC[C@@H]1CCCF)Cc1ccccc1 ZINC000635006537 351624889 /nfs/dbraw/zinc/62/48/89/351624889.db2.gz LTORMOHTHWOFLJ-KURKYZTESA-N 1 3 292.442 3.455 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000635008049 351626352 /nfs/dbraw/zinc/62/63/52/351626352.db2.gz YKOBLHCWKNXIMN-GAFUQQFSSA-N 1 3 298.352 3.198 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010087 351628399 /nfs/dbraw/zinc/62/83/99/351628399.db2.gz YECJVSLEKFZVLD-YOEHRIQHSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCc1cccc3c1CC[NH2+]C3)CC2 ZINC000635011498 351629311 /nfs/dbraw/zinc/62/93/11/351629311.db2.gz PUXGGVRFUAAYDM-HXUWFJFHSA-N 1 3 292.426 3.418 20 0 CGADHO Cc1ccccc1[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011804 351629764 /nfs/dbraw/zinc/62/97/64/351629764.db2.gz PFWMTMUHQHKHQD-CABCVRRESA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012162 351630656 /nfs/dbraw/zinc/63/06/56/351630656.db2.gz RFZBZCDIOVQRKK-KBPBESRZSA-N 1 3 280.481 3.437 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc2[nH]ccc21 ZINC000635012002 351630748 /nfs/dbraw/zinc/63/07/48/351630748.db2.gz IQDQJQXSJHLJFE-IFXJQAMLSA-N 1 3 293.414 3.216 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000635013216 351631804 /nfs/dbraw/zinc/63/18/04/351631804.db2.gz XHMQTUAVAWVJSU-WXRRBKDZSA-N 1 3 274.399 3.178 20 0 CGADHO Cc1cccc([C@@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941614 187061282 /nfs/dbraw/zinc/06/12/82/187061282.db2.gz IFOAXUCXAQFKGN-BMFZPTHFSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941614 187061283 /nfs/dbraw/zinc/06/12/83/187061283.db2.gz IFOAXUCXAQFKGN-BMFZPTHFSA-N 1 3 260.425 3.437 20 0 CGADHO CCc1noc(C)c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000123358101 187087092 /nfs/dbraw/zinc/08/70/92/187087092.db2.gz LWOYTVLXMQRICS-UHFFFAOYSA-N 1 3 293.455 3.099 20 0 CGADHO CCCCN1CCC([NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000271559100 191213185 /nfs/dbraw/zinc/21/31/85/191213185.db2.gz NTOXTZVSZQVLPA-HNNXBMFYSA-N 1 3 275.440 3.305 20 0 CGADHO CN1CC=C(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271886436 191390025 /nfs/dbraw/zinc/39/00/25/191390025.db2.gz QUSULNDJCODNHM-KRWDZBQOSA-N 1 3 274.383 3.128 20 0 CGADHO Cc1cc(C)cc([C@@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000271857193 191372567 /nfs/dbraw/zinc/37/25/67/191372567.db2.gz JQZZJEMKVUXMHZ-OAHLLOKOSA-N 1 3 258.409 3.216 20 0 CGADHO CCc1ccc(CN2CCC(CCC[NH+](C)C)CC2)o1 ZINC000093688519 138347858 /nfs/dbraw/zinc/34/78/58/138347858.db2.gz HDLDEYKUOOIKQP-UHFFFAOYSA-N 1 3 278.440 3.396 20 0 CGADHO Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1N ZINC000422822606 235927786 /nfs/dbraw/zinc/92/77/86/235927786.db2.gz KFQXYNYNCUUUSX-ZIAGYGMSSA-N 1 3 297.240 3.035 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(Cl)c1 ZINC000422922906 235943196 /nfs/dbraw/zinc/94/31/96/235943196.db2.gz RDWPLXGCOYZTBU-ZENOOKHLSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000423224956 236001219 /nfs/dbraw/zinc/00/12/19/236001219.db2.gz KSGNBKHKSUVQMU-RYUDHWBXSA-N 1 3 260.356 3.367 20 0 CGADHO Cc1ccncc1[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292458 236027354 /nfs/dbraw/zinc/02/73/54/236027354.db2.gz NCQDRLIWPLXYRQ-ZIAGYGMSSA-N 1 3 269.392 3.261 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000423311860 236034840 /nfs/dbraw/zinc/03/48/40/236034840.db2.gz UMRKWTQQRDLDTP-KGLIPLIRSA-N 1 3 287.451 3.409 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423312004 236034913 /nfs/dbraw/zinc/03/49/13/236034913.db2.gz CJOHEESTIGDACI-FVQBIDKESA-N 1 3 278.827 3.303 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NCC1([NH3+])CCC1 ZINC000423328593 236040462 /nfs/dbraw/zinc/04/04/62/236040462.db2.gz NYPJFWBXLSBOCR-RYUDHWBXSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCCNC1 ZINC000423351356 236047719 /nfs/dbraw/zinc/04/77/19/236047719.db2.gz YXUUSSBRVIKIQC-BZSNNMDCSA-N 1 3 272.436 3.302 20 0 CGADHO Cc1cc([C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C2CC2)ccc1F ZINC000423365923 236051274 /nfs/dbraw/zinc/05/12/74/236051274.db2.gz CEXPCJDRULMJKP-SRCQZFHVSA-N 1 3 276.399 3.315 20 0 CGADHO CCCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000262037125 283289881 /nfs/dbraw/zinc/28/98/81/283289881.db2.gz XWCQCYQGLJYSOG-DOTOQJQBSA-N 1 3 287.451 3.171 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(F)c1F ZINC000423540606 236095400 /nfs/dbraw/zinc/09/54/00/236095400.db2.gz KAIDMWLPMXIBSK-ZDEQEGDKSA-N 1 3 280.362 3.004 20 0 CGADHO COc1ccc([C@@H](C)NCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000424323355 236149311 /nfs/dbraw/zinc/14/93/11/236149311.db2.gz VVVCOPPFZVWUAK-GFCCVEGCSA-N 1 3 296.842 3.341 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NCCCOc1cccc2ccccc21 ZINC000424330849 236151226 /nfs/dbraw/zinc/15/12/26/236151226.db2.gz IQIZODYHQCUCAL-QZTJIDSGSA-N 1 3 298.430 3.468 20 0 CGADHO C[C@H](NCC1(c2ccc(F)cc2)CCCCC1)C1C[NH2+]C1 ZINC000422760443 299285789 /nfs/dbraw/zinc/28/57/89/299285789.db2.gz LTPSADCFXDXMNR-AWEZNQCLSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCCCC1)C1CNC1 ZINC000422760443 299285790 /nfs/dbraw/zinc/28/57/90/299285790.db2.gz LTPSADCFXDXMNR-AWEZNQCLSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H](NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccn1 ZINC000158656225 299290080 /nfs/dbraw/zinc/29/00/80/299290080.db2.gz MLAYECRCXSZDTL-ULQDDVLXSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000437056493 237238542 /nfs/dbraw/zinc/23/85/42/237238542.db2.gz KKFWSUULYQMXBD-HLLBOEOZSA-N 1 3 290.451 3.466 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2sccc21 ZINC000250152030 283464115 /nfs/dbraw/zinc/46/41/15/283464115.db2.gz AVWJQZMGCBCJKC-UBHSHLNASA-N 1 3 264.438 3.233 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000178255807 189100736 /nfs/dbraw/zinc/10/07/36/189100736.db2.gz JPLLICHYCAUFDS-GFCCVEGCSA-N 1 3 294.389 3.490 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583699 296024677 /nfs/dbraw/zinc/02/46/77/296024677.db2.gz RVUXLJKJTAGACR-UKRRQHHQSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583699 296024679 /nfs/dbraw/zinc/02/46/79/296024679.db2.gz RVUXLJKJTAGACR-UKRRQHHQSA-N 1 3 252.446 3.262 20 0 CGADHO Cc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000342542375 216391612 /nfs/dbraw/zinc/39/16/12/216391612.db2.gz DPHHOTZKSPPJRK-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000342542375 216391617 /nfs/dbraw/zinc/39/16/17/216391617.db2.gz DPHHOTZKSPPJRK-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO C[C@H](C[NH2+]C[C@H](C)c1cc(F)cc(F)c1)CN1CCCC1 ZINC000449090692 239170888 /nfs/dbraw/zinc/17/08/88/239170888.db2.gz OGLXDIWGZRGDJS-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@H](CNC[C@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000449090692 239170892 /nfs/dbraw/zinc/17/08/92/239170892.db2.gz OGLXDIWGZRGDJS-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO COc1cccc(CCCN(C)CCC[NH+]2CCCC2)c1 ZINC000337284658 376190536 /nfs/dbraw/zinc/19/05/36/376190536.db2.gz ZHTPOXIVPNTKHX-UHFFFAOYSA-N 1 3 290.451 3.046 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)C1CCOCC1 ZINC000120789879 370800449 /nfs/dbraw/zinc/80/04/49/370800449.db2.gz VNIXFHSRBQFYNN-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275609613 193086514 /nfs/dbraw/zinc/08/65/14/193086514.db2.gz QVEVUBPEGVKMMP-RBUKOAKNSA-N 1 3 284.447 3.249 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]CC(C)(C)CN(C)C ZINC000121231949 370842945 /nfs/dbraw/zinc/84/29/45/370842945.db2.gz IFWILTJWEYWREQ-UHFFFAOYSA-N 1 3 274.408 3.419 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459340694 242080285 /nfs/dbraw/zinc/08/02/85/242080285.db2.gz NJTSQWWLXUBKDF-NJAFHUGGSA-N 1 3 272.436 3.064 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459340694 242080290 /nfs/dbraw/zinc/08/02/90/242080290.db2.gz NJTSQWWLXUBKDF-NJAFHUGGSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459340694 242080293 /nfs/dbraw/zinc/08/02/93/242080293.db2.gz NJTSQWWLXUBKDF-NJAFHUGGSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459340694 242080297 /nfs/dbraw/zinc/08/02/97/242080297.db2.gz NJTSQWWLXUBKDF-NJAFHUGGSA-N 1 3 272.436 3.064 20 0 CGADHO CC(C)[N@H+](C)CCCNCCc1cccc(Cl)c1 ZINC000459394497 242096928 /nfs/dbraw/zinc/09/69/28/242096928.db2.gz UOQXMYUSAITNQZ-UHFFFAOYSA-N 1 3 268.832 3.202 20 0 CGADHO CC(C)[N@@H+](C)CCCNCCc1cccc(Cl)c1 ZINC000459394497 242096933 /nfs/dbraw/zinc/09/69/33/242096933.db2.gz UOQXMYUSAITNQZ-UHFFFAOYSA-N 1 3 268.832 3.202 20 0 CGADHO CC(C)N(C)CCC[NH2+]CCc1cccc(Cl)c1 ZINC000459394497 242096938 /nfs/dbraw/zinc/09/69/38/242096938.db2.gz UOQXMYUSAITNQZ-UHFFFAOYSA-N 1 3 268.832 3.202 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459391317 242097445 /nfs/dbraw/zinc/09/74/45/242097445.db2.gz QVKMWVYNYWGQLZ-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000335498513 212178403 /nfs/dbraw/zinc/17/84/03/212178403.db2.gz OAGNQRSSDYXJNY-RLNQVHQUSA-N 1 3 282.790 3.195 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000477137626 243035627 /nfs/dbraw/zinc/03/56/27/243035627.db2.gz VWQJIEDLJDOEPC-ZFWWWQNUSA-N 1 3 297.446 3.422 20 0 CGADHO CCc1c(C)nc2ccccc2c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000477137626 243035631 /nfs/dbraw/zinc/03/56/31/243035631.db2.gz VWQJIEDLJDOEPC-ZFWWWQNUSA-N 1 3 297.446 3.422 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449251728 296120436 /nfs/dbraw/zinc/12/04/36/296120436.db2.gz OUIQAMCBQIQQIA-IIAWOOMASA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCN1)C1CCC(C(F)(F)F)CC1 ZINC000423240881 296129206 /nfs/dbraw/zinc/12/92/06/296129206.db2.gz UGCIJVFMUZRKQB-XVSSEFHLSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@H](C)Cc1ccccc1F ZINC000219091997 376194435 /nfs/dbraw/zinc/19/44/35/376194435.db2.gz BKLXGJCDBOEQDG-CQSZACIVSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@H](C)Cc1ccccc1F ZINC000219091997 376194442 /nfs/dbraw/zinc/19/44/42/376194442.db2.gz BKLXGJCDBOEQDG-CQSZACIVSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000219091997 376194451 /nfs/dbraw/zinc/19/44/51/376194451.db2.gz BKLXGJCDBOEQDG-CQSZACIVSA-N 1 3 266.404 3.077 20 0 CGADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648953 369095025 /nfs/dbraw/zinc/09/50/25/369095025.db2.gz XDBRXTJPSUEANG-LSDHHAIUSA-N 1 3 284.447 3.310 20 0 CGADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648953 369095032 /nfs/dbraw/zinc/09/50/32/369095032.db2.gz XDBRXTJPSUEANG-LSDHHAIUSA-N 1 3 284.447 3.310 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648951 369095831 /nfs/dbraw/zinc/09/58/31/369095831.db2.gz XDBRXTJPSUEANG-GJZGRUSLSA-N 1 3 284.447 3.310 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648951 369095833 /nfs/dbraw/zinc/09/58/33/369095833.db2.gz XDBRXTJPSUEANG-GJZGRUSLSA-N 1 3 284.447 3.310 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649508 369098204 /nfs/dbraw/zinc/09/82/04/369098204.db2.gz AHOJUSPEAVFHJY-ZBFHGGJFSA-N 1 3 272.436 3.384 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649508 369098205 /nfs/dbraw/zinc/09/82/05/369098205.db2.gz AHOJUSPEAVFHJY-ZBFHGGJFSA-N 1 3 272.436 3.384 20 0 CGADHO c1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075698 369171746 /nfs/dbraw/zinc/17/17/46/369171746.db2.gz YUJMSLGHZLJJHT-KSSFIOAISA-N 1 3 270.420 3.212 20 0 CGADHO c1ccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075698 369171750 /nfs/dbraw/zinc/17/17/50/369171750.db2.gz YUJMSLGHZLJJHT-KSSFIOAISA-N 1 3 270.420 3.212 20 0 CGADHO C[C@H](NCCCC[NH+](C)C)c1ccccc1Br ZINC000045663392 369283782 /nfs/dbraw/zinc/28/37/82/369283782.db2.gz KMJXCNXOXSOUAY-LBPRGKRZSA-N 1 3 299.256 3.442 20 0 CGADHO [NH3+]C1CCC(N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000051693748 369452244 /nfs/dbraw/zinc/45/22/44/369452244.db2.gz AHJBOGNKYAWBTG-VMBOVVBDSA-N 1 3 270.376 3.229 20 0 CGADHO Cc1cc(NCC(C)(C)[NH+](C)C)c2ccccc2n1 ZINC000052076627 369462713 /nfs/dbraw/zinc/46/27/13/369462713.db2.gz HOFSIBIZBPZLFF-UHFFFAOYSA-N 1 3 257.381 3.295 20 0 CGADHO [NH3+]C[C@@H]1CCCN(Cc2csc3ccccc23)C1 ZINC000054465531 369502913 /nfs/dbraw/zinc/50/29/13/369502913.db2.gz BUIOOHXVDVHYME-LBPRGKRZSA-N 1 3 260.406 3.072 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)s1 ZINC000062078132 369618136 /nfs/dbraw/zinc/61/81/36/369618136.db2.gz DBTOJQRLALLJSY-OCCSQVGLSA-N 1 3 266.454 3.439 20 0 CGADHO C[NH2+]CC1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000063159020 369641898 /nfs/dbraw/zinc/64/18/98/369641898.db2.gz ZNSSCYBXEIDULF-LBPRGKRZSA-N 1 3 266.816 3.332 20 0 CGADHO CC(C)Oc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148432 369782771 /nfs/dbraw/zinc/78/27/71/369782771.db2.gz HCAIWNFIMCJKKG-INIZCTEOSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000070171874 369786148 /nfs/dbraw/zinc/78/61/48/369786148.db2.gz RHOAZGPWTACJCW-KDOFPFPSSA-N 1 3 268.404 3.399 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000070169353 369786459 /nfs/dbraw/zinc/78/64/59/369786459.db2.gz KKCDRRQNLIROGP-LBPRGKRZSA-N 1 3 297.240 3.010 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000070188795 369787974 /nfs/dbraw/zinc/78/79/74/369787974.db2.gz GVKPZWPHVSSERT-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO Cn1cccc1CNCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000072889811 369843856 /nfs/dbraw/zinc/84/38/56/369843856.db2.gz TZCFPMLHPGMBKQ-UHFFFAOYSA-N 1 3 297.446 3.301 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644632 370152425 /nfs/dbraw/zinc/15/24/25/370152425.db2.gz VNEMPINBGGTLJK-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644632 370152430 /nfs/dbraw/zinc/15/24/30/370152430.db2.gz VNEMPINBGGTLJK-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000130884206 371067139 /nfs/dbraw/zinc/06/71/39/371067139.db2.gz UMVMHLVYUYCSQZ-CABCVRRESA-N 1 3 268.404 3.490 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)c1cccc2ccccc21 ZINC000130884206 371067143 /nfs/dbraw/zinc/06/71/43/371067143.db2.gz UMVMHLVYUYCSQZ-CABCVRRESA-N 1 3 268.404 3.490 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)c1 ZINC000148286178 371521074 /nfs/dbraw/zinc/52/10/74/371521074.db2.gz AJGRHHOFVPQWBO-GDBMZVCRSA-N 1 3 276.424 3.220 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000151098466 371568642 /nfs/dbraw/zinc/56/86/42/371568642.db2.gz KMBGBODYDGQGOU-MJGOQNOKSA-N 1 3 286.463 3.329 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559446 371614096 /nfs/dbraw/zinc/61/40/96/371614096.db2.gz ASSAGBNZAPFWEE-NFAWXSAZSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559446 371614104 /nfs/dbraw/zinc/61/41/04/371614104.db2.gz ASSAGBNZAPFWEE-NFAWXSAZSA-N 1 3 296.842 3.180 20 0 CGADHO c1csc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152690844 371714843 /nfs/dbraw/zinc/71/48/43/371714843.db2.gz QMQCMMGZVBYSNK-UHFFFAOYSA-N 1 3 264.438 3.056 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000152884896 371732905 /nfs/dbraw/zinc/73/29/05/371732905.db2.gz NVIZXIAQOITRBT-NVXWUHKLSA-N 1 3 290.451 3.101 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000152884896 371732909 /nfs/dbraw/zinc/73/29/09/371732909.db2.gz NVIZXIAQOITRBT-NVXWUHKLSA-N 1 3 290.451 3.101 20 0 CGADHO CCCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000152216254 371683296 /nfs/dbraw/zinc/68/32/96/371683296.db2.gz DZAIVQDZZJWXJC-HNNXBMFYSA-N 1 3 278.440 3.468 20 0 CGADHO C[C@@H]1C[C@@H](C)N(CCCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422631180 371754086 /nfs/dbraw/zinc/75/40/86/371754086.db2.gz FEPPRSMOPVNKBG-IJLUTSLNSA-N 1 3 266.351 3.024 20 0 CGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000422762298 371791886 /nfs/dbraw/zinc/79/18/86/371791886.db2.gz MOUIPERNCJQDSZ-UNEWFSDZSA-N 1 3 276.424 3.124 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1ccccc1Cl ZINC000422702673 371760330 /nfs/dbraw/zinc/76/03/30/371760330.db2.gz FRXYEGVEUQZQCL-NWDGAFQWSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422702673 371760333 /nfs/dbraw/zinc/76/03/33/371760333.db2.gz FRXYEGVEUQZQCL-NWDGAFQWSA-N 1 3 268.832 3.333 20 0 CGADHO C(CC[NH2+][C@H]1CCCNCC1)CCOC1CCCCC1 ZINC000422711288 371763165 /nfs/dbraw/zinc/76/31/65/371763165.db2.gz MMTYAZYTUYXGSU-INIZCTEOSA-N 1 3 282.472 3.238 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422763060 371792279 /nfs/dbraw/zinc/79/22/79/371792279.db2.gz IUCQHRNQFKBFAB-XJKSGUPXSA-N 1 3 296.455 3.166 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422719040 371768392 /nfs/dbraw/zinc/76/83/92/371768392.db2.gz QQEFRTCJRCPSIX-SMDDNHRTSA-N 1 3 287.234 3.253 20 0 CGADHO Cc1ccc(CSCCN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422762043 371793226 /nfs/dbraw/zinc/79/32/26/371793226.db2.gz HZZZRXYZKWSSRT-RDJZCZTQSA-N 1 3 292.492 3.206 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000422762043 371793234 /nfs/dbraw/zinc/79/32/34/371793234.db2.gz HZZZRXYZKWSSRT-RDJZCZTQSA-N 1 3 292.492 3.206 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC(c1ccccc1)c1ccccc1 ZINC000422755612 371786766 /nfs/dbraw/zinc/78/67/66/371786766.db2.gz KRYKJLNDLAFCEX-MOPGFXCFSA-N 1 3 280.415 3.288 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000422755382 371787775 /nfs/dbraw/zinc/78/77/75/371787775.db2.gz BKOXOFGFSNPNSL-DNVCBOLYSA-N 1 3 295.430 3.226 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000422759907 371789954 /nfs/dbraw/zinc/78/99/54/371789954.db2.gz KNFGGXGAXFVAEX-BFYDXBDKSA-N 1 3 260.425 3.076 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422759857 371790431 /nfs/dbraw/zinc/79/04/31/371790431.db2.gz KGQJWOCIZZDXKX-DIECFANBSA-N 1 3 260.425 3.113 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422831390 371832517 /nfs/dbraw/zinc/83/25/17/371832517.db2.gz SOKRNBYUDBJEKA-SJORKVTESA-N 1 3 276.424 3.223 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccs2)CCCCC1 ZINC000422775012 371799167 /nfs/dbraw/zinc/79/91/67/371799167.db2.gz ZKTYDBHYTDYADJ-KBPBESRZSA-N 1 3 278.465 3.419 20 0 CGADHO CCc1ccc([C@@H](N[C@@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422774911 371799436 /nfs/dbraw/zinc/79/94/36/371799436.db2.gz YXHGQDRRWADTCJ-GUYCJALGSA-N 1 3 260.425 3.144 20 0 CGADHO CCc1ccc([C@@H]([NH2+][C@@H](C)C2CNC2)C(C)C)cc1 ZINC000422774911 371799439 /nfs/dbraw/zinc/79/94/39/371799439.db2.gz YXHGQDRRWADTCJ-GUYCJALGSA-N 1 3 260.425 3.144 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[NH2+]CC[C@H]3C)ccc2c1 ZINC000422795417 371813443 /nfs/dbraw/zinc/81/34/43/371813443.db2.gz HOFOLQJIKZIDCE-KUHUBIRLSA-N 1 3 298.430 3.326 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422801950 371817607 /nfs/dbraw/zinc/81/76/07/371817607.db2.gz CQYXSOOWJLBEGB-WOSRLPQWSA-N 1 3 266.404 3.108 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000422813935 371827335 /nfs/dbraw/zinc/82/73/35/371827335.db2.gz ZELRGKXQVVEYMU-NEPJUHHUSA-N 1 3 289.448 3.192 20 0 CGADHO CCCCOc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422891100 371856868 /nfs/dbraw/zinc/85/68/68/371856868.db2.gz JYDMCKQNXBJWMR-NVXWUHKLSA-N 1 3 276.424 3.083 20 0 CGADHO Cc1cccc(C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000422911382 371863442 /nfs/dbraw/zinc/86/34/42/371863442.db2.gz KQTLFUWEJWMNBP-ZZJWQFMZSA-N 1 3 284.447 3.189 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@@H]3CCNCC[C@H]3C)c[nH]c21 ZINC000422914518 371865309 /nfs/dbraw/zinc/86/53/09/371865309.db2.gz UOBWLLAMLXLEEF-RDTXWAMCSA-N 1 3 299.462 3.251 20 0 CGADHO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)cc1 ZINC000422925424 371873962 /nfs/dbraw/zinc/87/39/62/371873962.db2.gz VCXZYYAWEKNRRQ-RTBURBONSA-N 1 3 296.414 3.332 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(Cl)s1 ZINC000422934891 371879650 /nfs/dbraw/zinc/87/96/50/371879650.db2.gz GQKFBDSUNLOVAK-NEPJUHHUSA-N 1 3 272.845 3.194 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000422940285 371880825 /nfs/dbraw/zinc/88/08/25/371880825.db2.gz GTZZOOHSRGCPEQ-MRXNPFEDSA-N 1 3 258.409 3.141 20 0 CGADHO Cc1nc(-c2ccc(CN[C@@H](C)CCCC[NH3+])o2)cs1 ZINC000422938595 371881155 /nfs/dbraw/zinc/88/11/55/371881155.db2.gz HHYYZZZONBZGRQ-NSHDSACASA-N 1 3 293.436 3.319 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422847303 371838573 /nfs/dbraw/zinc/83/85/73/371838573.db2.gz IASZVNQHKROYCF-RVMXOQNASA-N 1 3 278.362 3.072 20 0 CGADHO C[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)N(C)c1ccccc1 ZINC000422853788 371841214 /nfs/dbraw/zinc/84/12/14/371841214.db2.gz CHBHCHCAHIPLEV-MDASCCDHSA-N 1 3 295.430 3.246 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422853048 371841467 /nfs/dbraw/zinc/84/14/67/371841467.db2.gz RUKMMMUCHQOYCL-LOWDOPEQSA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423050674 371935973 /nfs/dbraw/zinc/93/59/73/371935973.db2.gz ZEKGULVHHVGHHZ-BSDSXHPESA-N 1 3 296.499 3.481 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423053314 371937479 /nfs/dbraw/zinc/93/74/79/371937479.db2.gz AINCZFPGHHRFMG-YSHGAJCASA-N 1 3 286.463 3.376 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000422954885 371890446 /nfs/dbraw/zinc/89/04/46/371890446.db2.gz ILFMMQXBKRELMZ-LBPRGKRZSA-N 1 3 261.413 3.080 20 0 CGADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422966302 371894999 /nfs/dbraw/zinc/89/49/99/371894999.db2.gz NLVJDEYYNHPZFW-HPEXNQPKSA-N 1 3 285.391 3.129 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@H](C)C1C[NH2+]C1 ZINC000423009271 371913734 /nfs/dbraw/zinc/91/37/34/371913734.db2.gz CKZHMGDONKTCJH-NXEZZACHSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C)C1CNC1 ZINC000423009271 371913743 /nfs/dbraw/zinc/91/37/43/371913743.db2.gz CKZHMGDONKTCJH-NXEZZACHSA-N 1 3 287.234 3.122 20 0 CGADHO Cc1cc([C@H](N[C@H](C)C[C@@H](C)[NH3+])C2CC2)ccc1F ZINC000423009350 371913895 /nfs/dbraw/zinc/91/38/95/371913895.db2.gz CUXXEFNFXKAJGH-XHBSWPGZSA-N 1 3 264.388 3.301 20 0 CGADHO Cc1ccsc1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423012623 371914542 /nfs/dbraw/zinc/91/45/42/371914542.db2.gz DHCDGIAGEAGKPE-LSDHHAIUSA-N 1 3 272.417 3.333 20 0 CGADHO Cc1ccsc1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423012521 371914916 /nfs/dbraw/zinc/91/49/16/371914916.db2.gz DHCDGIAGEAGKPE-GJZGRUSLSA-N 1 3 272.417 3.333 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000423041262 371929261 /nfs/dbraw/zinc/92/92/61/371929261.db2.gz WTKXAMMBEDQHLE-NMFUWQPSSA-N 1 3 293.480 3.065 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCCc2ccccc2F)c2ccccc21 ZINC000423093576 371957785 /nfs/dbraw/zinc/95/77/85/371957785.db2.gz IBQXZXJZJOESTH-MSOLQXFVSA-N 1 3 284.378 3.493 20 0 CGADHO Fc1ccccc1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423094530 371959842 /nfs/dbraw/zinc/95/98/42/371959842.db2.gz KHUOOIMNUZCMNO-NXHRZFHOSA-N 1 3 290.426 3.269 20 0 CGADHO Fc1ccccc1[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000423096025 371960737 /nfs/dbraw/zinc/96/07/37/371960737.db2.gz NTAUSVPSWFPNKP-ILXRZTDVSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(C(C)(C)C)C1 ZINC000423132040 371983300 /nfs/dbraw/zinc/98/33/00/371983300.db2.gz ISYBCFIDNIDKOF-LYAPFXNSSA-N 1 3 274.452 3.359 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC[C@H](c1ccccc1)C(F)(F)F ZINC000423136298 371984811 /nfs/dbraw/zinc/98/48/11/371984811.db2.gz OZHGWIFMCBJBBW-MCIONIFRSA-N 1 3 286.341 3.192 20 0 CGADHO Cc1ccc(C2(CN[C@@H](C)C[C@@H](C)[NH3+])CC2)c(C)c1 ZINC000423144729 371990747 /nfs/dbraw/zinc/99/07/47/371990747.db2.gz HUGXPAKYSRVKOE-CABCVRRESA-N 1 3 260.425 3.050 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H](C)C[C@@H](C)N)CC2)c(C)c1 ZINC000423144729 371990753 /nfs/dbraw/zinc/99/07/53/371990753.db2.gz HUGXPAKYSRVKOE-CABCVRRESA-N 1 3 260.425 3.050 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423155044 371993937 /nfs/dbraw/zinc/99/39/37/371993937.db2.gz IQTSOQKHFNAOJF-BSLJZLGVSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000423151506 371994163 /nfs/dbraw/zinc/99/41/63/371994163.db2.gz CLIJTONDTHNUKN-NXNVCVFFSA-N 1 3 260.425 3.286 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2C[NH3+])c2ccccc2O1 ZINC000423151846 371994407 /nfs/dbraw/zinc/99/44/07/371994407.db2.gz CZQUQJZOHFUSDD-OCVGTWLNSA-N 1 3 274.408 3.006 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1c1ccccc1)C1CNC1 ZINC000423163705 371998291 /nfs/dbraw/zinc/99/82/91/371998291.db2.gz RMDDBCYORHQQCL-YXJHDRRASA-N 1 3 272.436 3.158 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169949 371999521 /nfs/dbraw/zinc/99/95/21/371999521.db2.gz KRHUYPJFKDCGGF-GIFSMMMISA-N 1 3 282.790 3.052 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423169949 371999523 /nfs/dbraw/zinc/99/95/23/371999523.db2.gz KRHUYPJFKDCGGF-GIFSMMMISA-N 1 3 282.790 3.052 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000423070289 371946018 /nfs/dbraw/zinc/94/60/18/371946018.db2.gz FXVQRWUCLLGRKE-KURKYZTESA-N 1 3 272.436 3.445 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccccc1OC(F)F ZINC000423072233 371948324 /nfs/dbraw/zinc/94/83/24/371948324.db2.gz PMAGSGSBVWJQBU-KGLIPLIRSA-N 1 3 298.377 3.080 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1ccc(Cl)cc1 ZINC000423074691 371949593 /nfs/dbraw/zinc/94/95/93/371949593.db2.gz MPHNVXYOGWEOGZ-ZENOOKHLSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423074691 371949598 /nfs/dbraw/zinc/94/95/98/371949598.db2.gz MPHNVXYOGWEOGZ-ZENOOKHLSA-N 1 3 296.842 3.214 20 0 CGADHO CCCNc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423075944 371949956 /nfs/dbraw/zinc/94/99/56/371949956.db2.gz PRPFASGLDFEBAF-WBVHZDCISA-N 1 3 275.440 3.116 20 0 CGADHO CCCNc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000423075944 371949961 /nfs/dbraw/zinc/94/99/61/371949961.db2.gz PRPFASGLDFEBAF-WBVHZDCISA-N 1 3 275.440 3.116 20 0 CGADHO COCCCC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000423081670 371952414 /nfs/dbraw/zinc/95/24/14/371952414.db2.gz BVVSUKQPICRQOK-ZOBUZTSGSA-N 1 3 278.440 3.260 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H](C)C[C@H](C)N)CCC2)cc1C ZINC000423084886 371954307 /nfs/dbraw/zinc/95/43/07/371954307.db2.gz IWGSSLCLYUOCLI-HOTGVXAUSA-N 1 3 274.452 3.441 20 0 CGADHO Cc1ccc(C2(CN[C@@H](C)C[C@H](C)[NH3+])CCC2)cc1C ZINC000423084886 371954309 /nfs/dbraw/zinc/95/43/09/371954309.db2.gz IWGSSLCLYUOCLI-HOTGVXAUSA-N 1 3 274.452 3.441 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423083711 371954469 /nfs/dbraw/zinc/95/44/69/371954469.db2.gz GKYINBFCYNMUKV-UOJCXKCYSA-N 1 3 276.399 3.049 20 0 CGADHO CC(C)[C@H]1C[C@@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423085013 371954613 /nfs/dbraw/zinc/95/46/13/371954613.db2.gz JNFXCAYBCJLXDQ-MJSCVDMRSA-N 1 3 272.436 3.459 20 0 CGADHO [NH3+]CCCN[C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000423188653 372015084 /nfs/dbraw/zinc/01/50/84/372015084.db2.gz LZHVGCWLMQXWSC-AWEZNQCLSA-N 1 3 252.789 3.120 20 0 CGADHO CCCC[C@@H](COC)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000157364433 372017270 /nfs/dbraw/zinc/01/72/70/372017270.db2.gz RSIWFISPPBKQMZ-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@@H](COC)NCC[C@H](C)[NH+]1CCCCC1 ZINC000157364433 372017277 /nfs/dbraw/zinc/01/72/77/372017277.db2.gz RSIWFISPPBKQMZ-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H]1C ZINC000423395906 372059946 /nfs/dbraw/zinc/05/99/46/372059946.db2.gz SABYTMXUHVNIDD-XNJGSVPQSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423203560 372027181 /nfs/dbraw/zinc/02/71/81/372027181.db2.gz CNASCWQDFOBJQL-LSDHHAIUSA-N 1 3 268.404 3.490 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423209385 372032341 /nfs/dbraw/zinc/03/23/41/372032341.db2.gz FDDLQMKOISTJKZ-QIIPPGSGSA-N 1 3 288.435 3.050 20 0 CGADHO Cc1cc(OCCC[C@@H](C)[NH2+][C@@H]2CCNC2)ccc1Cl ZINC000423209480 372032605 /nfs/dbraw/zinc/03/26/05/372032605.db2.gz GFEBNUGCISOXDE-ZIAGYGMSSA-N 1 3 296.842 3.147 20 0 CGADHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423218383 372038535 /nfs/dbraw/zinc/03/85/35/372038535.db2.gz RXJPFBBCBOHCPE-SGMGOOAPSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)c1cc2c(s1)CCC2 ZINC000423218383 372038538 /nfs/dbraw/zinc/03/85/38/372038538.db2.gz RXJPFBBCBOHCPE-SGMGOOAPSA-N 1 3 278.465 3.276 20 0 CGADHO C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1CCCNC1 ZINC000423218457 372038790 /nfs/dbraw/zinc/03/87/90/372038790.db2.gz VOGKSOPXQTYZDI-OAHLLOKOSA-N 1 3 264.457 3.469 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423220930 372040068 /nfs/dbraw/zinc/04/00/68/372040068.db2.gz YXTDEXRPRYZBGX-HABKJSAYSA-N 1 3 294.389 3.159 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@@H]1c1ccccc1 ZINC000423220386 372040303 /nfs/dbraw/zinc/04/03/03/372040303.db2.gz YIXNYIDNIDUBEH-DJIMGWMZSA-N 1 3 272.436 3.158 20 0 CGADHO CC1(C)[C@H](NC[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423220386 372040305 /nfs/dbraw/zinc/04/03/05/372040305.db2.gz YIXNYIDNIDUBEH-DJIMGWMZSA-N 1 3 272.436 3.158 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423270641 372046541 /nfs/dbraw/zinc/04/65/41/372046541.db2.gz IHMMAHWBRKNDEN-DOTOQJQBSA-N 1 3 274.452 3.460 20 0 CGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CC1CNC1 ZINC000423309506 372049680 /nfs/dbraw/zinc/04/96/80/372049680.db2.gz ZYQQLSVWZOMZCZ-MRXNPFEDSA-N 1 3 280.843 3.106 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]CC2CNC2)c1 ZINC000423328924 372052022 /nfs/dbraw/zinc/05/20/22/372052022.db2.gz SSAUJTDPRMBKCI-HUUCEWRRSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CCC[C@H]2NCC2C[NH2+]C2)c1 ZINC000423328924 372052030 /nfs/dbraw/zinc/05/20/30/372052030.db2.gz SSAUJTDPRMBKCI-HUUCEWRRSA-N 1 3 298.352 3.151 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000158125567 372053245 /nfs/dbraw/zinc/05/32/45/372053245.db2.gz PMLUWWKVVBARNJ-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000158125567 372053250 /nfs/dbraw/zinc/05/32/50/372053250.db2.gz PMLUWWKVVBARNJ-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000158122433 372054199 /nfs/dbraw/zinc/05/41/99/372054199.db2.gz VDJBYACLCINHFN-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000158122433 372054204 /nfs/dbraw/zinc/05/42/04/372054204.db2.gz VDJBYACLCINHFN-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO NCCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423179046 372008941 /nfs/dbraw/zinc/00/89/41/372008941.db2.gz CTTHRKOBQHIGLD-GXTWGEPZSA-N 1 3 286.341 3.280 20 0 CGADHO CC1(C)CCC(C)(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423180897 372009052 /nfs/dbraw/zinc/00/90/52/372009052.db2.gz KRSPTASTVOZXGR-YIONKMFJSA-N 1 3 264.457 3.466 20 0 CGADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1cccs1 ZINC000159115778 372108673 /nfs/dbraw/zinc/10/86/73/372108673.db2.gz PYFNQCWVCHNXJU-HNNXBMFYSA-N 1 3 296.480 3.290 20 0 CGADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(C)cc2)CC1 ZINC000159219028 372117680 /nfs/dbraw/zinc/11/76/80/372117680.db2.gz HLWBJYAHKHKTFQ-MRXNPFEDSA-N 1 3 290.451 3.147 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423434615 372063923 /nfs/dbraw/zinc/06/39/23/372063923.db2.gz DBTNTEXKJQSXCW-UBJUHAIHSA-N 1 3 273.207 3.306 20 0 CGADHO CC(C)C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccn1 ZINC000423450246 372065438 /nfs/dbraw/zinc/06/54/38/372065438.db2.gz XCGVGHOKKUSBIY-CGTJXYLNSA-N 1 3 287.451 3.147 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423466463 372067221 /nfs/dbraw/zinc/06/72/21/372067221.db2.gz XFTYMMBLRJXODK-UWVGGRQHSA-N 1 3 290.329 3.205 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCCNC2CC2)c2ccccc21 ZINC000423533562 372072625 /nfs/dbraw/zinc/07/26/25/372072625.db2.gz XWJHJAXHKJCTIK-MRXNPFEDSA-N 1 3 258.409 3.141 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)CN(C)C)CCCO2 ZINC000425924508 372145285 /nfs/dbraw/zinc/14/52/85/372145285.db2.gz PNXBCPDPVUMMNZ-CXAGYDPISA-N 1 3 290.451 3.304 20 0 CGADHO Cc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000430969230 372411440 /nfs/dbraw/zinc/41/14/40/372411440.db2.gz ZAQFMWCMQBMCKK-UHFFFAOYSA-N 1 3 278.827 3.224 20 0 CGADHO CCC[N@H+](CCc1c(F)cccc1Cl)C1CCNCC1 ZINC000431070377 372422786 /nfs/dbraw/zinc/42/27/86/372422786.db2.gz XVGJNVLJXNSTAC-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO CCC[N@@H+](CCc1c(F)cccc1Cl)C1CCNCC1 ZINC000431070377 372422793 /nfs/dbraw/zinc/42/27/93/372422793.db2.gz XVGJNVLJXNSTAC-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)c(C)s1 ZINC000293670876 372443890 /nfs/dbraw/zinc/44/38/90/372443890.db2.gz MOSGIBFBTMZJEB-PWSUYJOCSA-N 1 3 254.443 3.213 20 0 CGADHO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000164278322 372513471 /nfs/dbraw/zinc/51/34/71/372513471.db2.gz SHGCCWNATADANT-HUUCEWRRSA-N 1 3 290.451 3.466 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000164497215 372522305 /nfs/dbraw/zinc/52/23/05/372522305.db2.gz FFUBXIHNJJPGES-YQQAZPJKSA-N 1 3 260.425 3.122 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000164497215 372522310 /nfs/dbraw/zinc/52/23/10/372522310.db2.gz FFUBXIHNJJPGES-YQQAZPJKSA-N 1 3 260.425 3.122 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(F)c1 ZINC000166514488 372577019 /nfs/dbraw/zinc/57/70/19/372577019.db2.gz VSBSLRVLCNRHGN-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NC[C@]3(C)CCCO3)CC2)C1 ZINC000167055589 372588658 /nfs/dbraw/zinc/58/86/58/372588658.db2.gz LDVGJYILTBBHST-JQHSSLGASA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@]3(C)CCCO3)CC2)C1 ZINC000167055589 372588664 /nfs/dbraw/zinc/58/86/64/372588664.db2.gz LDVGJYILTBBHST-JQHSSLGASA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccccc1F ZINC000168754873 372619691 /nfs/dbraw/zinc/61/96/91/372619691.db2.gz OKGBQTQRQZIJMH-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000435374248 372753501 /nfs/dbraw/zinc/75/35/01/372753501.db2.gz PNGWEGKCASRUJE-PBHICJAKSA-N 1 3 260.425 3.022 20 0 CGADHO COc1ccccc1-c1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000435379759 372753562 /nfs/dbraw/zinc/75/35/62/372753562.db2.gz KRGZAUGEWYEELC-INIZCTEOSA-N 1 3 296.414 3.143 20 0 CGADHO CCC1([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000296395569 373117123 /nfs/dbraw/zinc/11/71/23/373117123.db2.gz KGECKVFTUIDGNG-AWEZNQCLSA-N 1 3 276.424 3.220 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442761194 373073399 /nfs/dbraw/zinc/07/33/99/373073399.db2.gz BRGJEXMNYVQKLH-IYXRBSQSSA-N 1 3 274.399 3.132 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2cccc3cccnc32)[C@H](C)C1 ZINC000173363180 373130745 /nfs/dbraw/zinc/13/07/45/373130745.db2.gz SIQNWLJEWSGOQF-PBHICJAKSA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2cccc3cccnc32)[C@H](C)C1 ZINC000173363180 373130752 /nfs/dbraw/zinc/13/07/52/373130752.db2.gz SIQNWLJEWSGOQF-PBHICJAKSA-N 1 3 283.419 3.055 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000296441432 373135786 /nfs/dbraw/zinc/13/57/86/373135786.db2.gz NVGOYRKQNBRUMR-HDMKZQKVSA-N 1 3 290.451 3.184 20 0 CGADHO c1ccc(C2([NH2+]CCCN3CCCCC3)CC2)cc1 ZINC000444619152 373214063 /nfs/dbraw/zinc/21/40/63/373214063.db2.gz WBYZZLGWGXWVFG-UHFFFAOYSA-N 1 3 258.409 3.141 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000173903267 373214222 /nfs/dbraw/zinc/21/42/22/373214222.db2.gz DEGIKCCCYGLCQC-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000173903267 373214232 /nfs/dbraw/zinc/21/42/32/373214232.db2.gz DEGIKCCCYGLCQC-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000173903267 373214242 /nfs/dbraw/zinc/21/42/42/373214242.db2.gz DEGIKCCCYGLCQC-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000173903267 373214251 /nfs/dbraw/zinc/21/42/51/373214251.db2.gz DEGIKCCCYGLCQC-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO COC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCCC1 ZINC000446881688 373374198 /nfs/dbraw/zinc/37/41/98/373374198.db2.gz UJZIMYBGSKLNBB-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@H](NCC[C@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC000446881688 373374204 /nfs/dbraw/zinc/37/42/04/373374204.db2.gz UJZIMYBGSKLNBB-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000175010075 373393750 /nfs/dbraw/zinc/39/37/50/373393750.db2.gz JNSLZEZTCLBKFF-CABCVRRESA-N 1 3 271.408 3.130 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000449441885 373717863 /nfs/dbraw/zinc/71/78/63/373717863.db2.gz UTKQIRJHWSHZIR-GRGSLBFTSA-N 1 3 284.447 3.285 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449409950 373686530 /nfs/dbraw/zinc/68/65/30/373686530.db2.gz WTSHQJWAROBIDT-JFIYKMOQSA-N 1 3 296.499 3.028 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCSc2ccc(C)cc2)[C@H](C)C1 ZINC000178380289 373772921 /nfs/dbraw/zinc/77/29/21/373772921.db2.gz MHRAXRNYFQJSES-WBVHZDCISA-N 1 3 292.492 3.407 20 0 CGADHO CC[N@H+]1CC[C@H](NCCSc2ccc(C)cc2)[C@H](C)C1 ZINC000178380289 373772926 /nfs/dbraw/zinc/77/29/26/373772926.db2.gz MHRAXRNYFQJSES-WBVHZDCISA-N 1 3 292.492 3.407 20 0 CGADHO CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000178413141 373774338 /nfs/dbraw/zinc/77/43/38/373774338.db2.gz MEHSQFVKNMWMNU-CYBMUJFWSA-N 1 3 293.480 3.158 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]CC2CCCCC2)C[C@H](C)O1 ZINC000178894890 373815117 /nfs/dbraw/zinc/81/51/17/373815117.db2.gz CQOPADVVIRTQRQ-IYBDPMFKSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000179448960 373874395 /nfs/dbraw/zinc/87/43/95/373874395.db2.gz SQMYGQXIPSQDMI-SWLSCSKDSA-N 1 3 266.816 3.475 20 0 CGADHO CN(C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450253264 374022848 /nfs/dbraw/zinc/02/28/48/374022848.db2.gz NFJOKHQCLRPHHS-POHAHGRESA-N 1 3 258.409 3.116 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000450252462 374022346 /nfs/dbraw/zinc/02/23/46/374022346.db2.gz IGPMYXMXTUACSC-CVEARBPZSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000450252462 374022351 /nfs/dbraw/zinc/02/23/51/374022351.db2.gz IGPMYXMXTUACSC-CVEARBPZSA-N 1 3 295.430 3.258 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000181089151 374078171 /nfs/dbraw/zinc/07/81/71/374078171.db2.gz RSKVMLMAVMNSOB-HIFRSBDPSA-N 1 3 272.392 3.048 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089151 374078178 /nfs/dbraw/zinc/07/81/78/374078178.db2.gz RSKVMLMAVMNSOB-HIFRSBDPSA-N 1 3 272.392 3.048 20 0 CGADHO CCC(=O)CCC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000450322885 374056529 /nfs/dbraw/zinc/05/65/29/374056529.db2.gz CJNJFSRJJQVABM-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO CCC(=O)CCC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000450322885 374056535 /nfs/dbraw/zinc/05/65/35/374056535.db2.gz CJNJFSRJJQVABM-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)(CO)CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305168216 374082388 /nfs/dbraw/zinc/08/23/88/374082388.db2.gz SYZKKGYAMASALM-UHFFFAOYSA-N 1 3 296.499 3.172 20 0 CGADHO C[NH+](C)CCCCNCc1csc(Cl)c1Cl ZINC000309952933 374204287 /nfs/dbraw/zinc/20/42/87/374204287.db2.gz GYPKMSJCVNHCPL-UHFFFAOYSA-N 1 3 281.252 3.486 20 0 CGADHO COc1ccc([C@H](NCC[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000182059895 374211464 /nfs/dbraw/zinc/21/14/64/374211464.db2.gz YALFEIJAUUFAIQ-FUHWJXTLSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@H](NCC[C@@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059895 374211471 /nfs/dbraw/zinc/21/14/71/374211471.db2.gz YALFEIJAUUFAIQ-FUHWJXTLSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@H]([NH2+]CC[C@@H]2CCCN2C)C(C)C)cc1 ZINC000182059895 374211475 /nfs/dbraw/zinc/21/14/75/374211475.db2.gz YALFEIJAUUFAIQ-FUHWJXTLSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Br)cc1 ZINC000310240916 374212218 /nfs/dbraw/zinc/21/22/18/374212218.db2.gz LTKHEJBMUDFNSG-NWDGAFQWSA-N 1 3 299.256 3.297 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313091230 374299028 /nfs/dbraw/zinc/29/90/28/374299028.db2.gz ZFXIOWOWDCVQQD-RBSFLKMASA-N 1 3 250.430 3.349 20 0 CGADHO COc1cc(C)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322915888 374355162 /nfs/dbraw/zinc/35/51/62/374355162.db2.gz KSGPMMRFLYVVBL-HNSVSWJLSA-N 1 3 288.435 3.279 20 0 CGADHO Clc1ccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000089541413 541953252 /nfs/dbraw/zinc/95/32/52/541953252.db2.gz KRUICSIBRYOJBE-IAGOWNOFSA-N 1 3 292.854 3.489 20 0 CGADHO Clc1ccc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000089541413 541953258 /nfs/dbraw/zinc/95/32/58/541953258.db2.gz KRUICSIBRYOJBE-IAGOWNOFSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000090856445 541965447 /nfs/dbraw/zinc/96/54/47/541965447.db2.gz ZFWLHCNUNFSBQC-GJZGRUSLSA-N 1 3 290.451 3.466 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(Cl)cc2Cl)C1 ZINC000093209830 541979765 /nfs/dbraw/zinc/97/97/65/541979765.db2.gz UOLSAIZWWMNTBD-CHWSQXEVSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000093209830 541979770 /nfs/dbraw/zinc/97/97/70/541979770.db2.gz UOLSAIZWWMNTBD-CHWSQXEVSA-N 1 3 287.234 3.395 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2NC1CC[NH+](C2CC2)CC1 ZINC000186404907 374845115 /nfs/dbraw/zinc/84/51/15/374845115.db2.gz KZHGCAOPZJHMJG-SFHVURJKSA-N 1 3 285.435 3.150 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000094952972 541990238 /nfs/dbraw/zinc/99/02/38/541990238.db2.gz LHJZJNKVBXBWEA-FPMFFAJLSA-N 1 3 250.361 3.055 20 0 CGADHO c1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000335022772 375076608 /nfs/dbraw/zinc/07/66/08/375076608.db2.gz GJFKYUWNANIIGR-MJGOQNOKSA-N 1 3 294.398 3.032 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+]CCC(C)(C)C ZINC000187750024 375087107 /nfs/dbraw/zinc/08/71/07/375087107.db2.gz MKMHDMFOUNESRN-UHFFFAOYSA-N 1 3 278.440 3.153 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCC1 ZINC000094874474 541990114 /nfs/dbraw/zinc/99/01/14/541990114.db2.gz QFDJJUIBTMIOSZ-GJZGRUSLSA-N 1 3 252.446 3.452 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187964888 375128157 /nfs/dbraw/zinc/12/81/57/375128157.db2.gz QEDCEWSAYTUCHE-HOTGVXAUSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187964888 375128164 /nfs/dbraw/zinc/12/81/64/375128164.db2.gz QEDCEWSAYTUCHE-HOTGVXAUSA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187964888 375128168 /nfs/dbraw/zinc/12/81/68/375128168.db2.gz QEDCEWSAYTUCHE-HOTGVXAUSA-N 1 3 292.442 3.467 20 0 CGADHO CCSc1cccc(C[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000491595211 375336015 /nfs/dbraw/zinc/33/60/15/375336015.db2.gz XURXVGQCWZPSAL-CYBMUJFWSA-N 1 3 266.454 3.086 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@H]1C ZINC000495079622 375498288 /nfs/dbraw/zinc/49/82/88/375498288.db2.gz OMCIGFMWQQCJMP-DVOMOZLQSA-N 1 3 250.430 3.028 20 0 CGADHO CCCCN1CCCC[C@H]1C[NH2+]C1CCN(CCC)CC1 ZINC000126073655 542038345 /nfs/dbraw/zinc/03/83/45/542038345.db2.gz SBWQIFNHBQBHDN-SFHVURJKSA-N 1 3 295.515 3.105 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000192925958 375803095 /nfs/dbraw/zinc/80/30/95/375803095.db2.gz MLPSRQHUNKAFTF-MRXNPFEDSA-N 1 3 298.434 3.009 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261406 375964375 /nfs/dbraw/zinc/96/43/75/375964375.db2.gz GNPOMMUPXUUKAD-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261406 375964379 /nfs/dbraw/zinc/96/43/79/375964379.db2.gz GNPOMMUPXUUKAD-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO Cc1cccc(C)c1C[N@H+](C)CCCN1CCCC1 ZINC000337269577 376180620 /nfs/dbraw/zinc/18/06/20/376180620.db2.gz LUPQPVMTCQHOHR-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO Cc1cccc(C)c1C[N@@H+](C)CCCN1CCCC1 ZINC000337269577 376180627 /nfs/dbraw/zinc/18/06/27/376180627.db2.gz LUPQPVMTCQHOHR-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337998564 376251854 /nfs/dbraw/zinc/25/18/54/376251854.db2.gz VHJPXHONXXYBJJ-PVAVHDDUSA-N 1 3 264.457 3.275 20 0 CGADHO CCC1(CC)[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@H]1OC ZINC000539498544 376315473 /nfs/dbraw/zinc/31/54/73/376315473.db2.gz PZVWDOOYBZFCRJ-HUUCEWRRSA-N 1 3 296.499 3.479 20 0 CGADHO CCC1(CC)[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1OC ZINC000539498544 376315478 /nfs/dbraw/zinc/31/54/78/376315478.db2.gz PZVWDOOYBZFCRJ-HUUCEWRRSA-N 1 3 296.499 3.479 20 0 CGADHO C[NH+]1CCC(C)(CNCc2cc3ccccc3o2)CC1 ZINC000227327655 376390290 /nfs/dbraw/zinc/39/02/90/376390290.db2.gz XZZRAZVCDLVIPX-UHFFFAOYSA-N 1 3 272.392 3.254 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000230986874 376550204 /nfs/dbraw/zinc/55/02/04/376550204.db2.gz VLXLJUIROCTAAZ-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC000542549177 376557973 /nfs/dbraw/zinc/55/79/73/376557973.db2.gz AOZPZBZKDVKYRL-ZWKOTPCHSA-N 1 3 292.442 3.467 20 0 CGADHO CCC[N@H+](CCc1cccs1)C[C@@H]1CCCNC1 ZINC000233053527 376595939 /nfs/dbraw/zinc/59/59/39/376595939.db2.gz YNJHSUCSMSURFU-CQSZACIVSA-N 1 3 266.454 3.002 20 0 CGADHO CCC[N@@H+](CCc1cccs1)C[C@@H]1CCCNC1 ZINC000233053527 376595949 /nfs/dbraw/zinc/59/59/49/376595949.db2.gz YNJHSUCSMSURFU-CQSZACIVSA-N 1 3 266.454 3.002 20 0 CGADHO CCCN(CCc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000233053527 376595955 /nfs/dbraw/zinc/59/59/55/376595955.db2.gz YNJHSUCSMSURFU-CQSZACIVSA-N 1 3 266.454 3.002 20 0 CGADHO CC(C)C1CC([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000232536209 376582699 /nfs/dbraw/zinc/58/26/99/376582699.db2.gz ZXDRWYZDPZXBCQ-UHFFFAOYSA-N 1 3 252.446 3.320 20 0 CGADHO CC(C)C1CC(NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000232536209 376582705 /nfs/dbraw/zinc/58/27/05/376582705.db2.gz ZXDRWYZDPZXBCQ-UHFFFAOYSA-N 1 3 252.446 3.320 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915269 376593194 /nfs/dbraw/zinc/59/31/94/376593194.db2.gz XNSCHELTRCKVSR-DBVUQKKJSA-N 1 3 298.474 3.208 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915269 376593201 /nfs/dbraw/zinc/59/32/01/376593201.db2.gz XNSCHELTRCKVSR-DBVUQKKJSA-N 1 3 298.474 3.208 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000235786227 376650343 /nfs/dbraw/zinc/65/03/43/376650343.db2.gz YPZMQVIQLWLWNG-CYBMUJFWSA-N 1 3 266.816 3.209 20 0 CGADHO CC(C)(C)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868769 542085068 /nfs/dbraw/zinc/08/50/68/542085068.db2.gz YYIJCZWGMKHSLZ-ZBFHGGJFSA-N 1 3 264.457 3.371 20 0 CGADHO CC(C)(C)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868769 542085072 /nfs/dbraw/zinc/08/50/72/542085072.db2.gz YYIJCZWGMKHSLZ-ZBFHGGJFSA-N 1 3 264.457 3.371 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000339071126 376660582 /nfs/dbraw/zinc/66/05/82/376660582.db2.gz QRZDNOQANOXBHI-IMJJTQAJSA-N 1 3 276.424 3.126 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000339071126 376660591 /nfs/dbraw/zinc/66/05/91/376660591.db2.gz QRZDNOQANOXBHI-IMJJTQAJSA-N 1 3 276.424 3.126 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000544023122 376695578 /nfs/dbraw/zinc/69/55/78/376695578.db2.gz FFQFGDVWLATSPG-BMFZPTHFSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000544023122 376695582 /nfs/dbraw/zinc/69/55/82/376695582.db2.gz FFQFGDVWLATSPG-BMFZPTHFSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544023122 376695583 /nfs/dbraw/zinc/69/55/83/376695583.db2.gz FFQFGDVWLATSPG-BMFZPTHFSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000544023122 376695587 /nfs/dbraw/zinc/69/55/87/376695587.db2.gz FFQFGDVWLATSPG-BMFZPTHFSA-N 1 3 278.465 3.095 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000140982522 542095872 /nfs/dbraw/zinc/09/58/72/542095872.db2.gz VIOTVXMZNWJABA-HKUYNNGSSA-N 1 3 293.414 3.007 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@H]1CCC[N@H+](C)C1 ZINC000245506617 376834291 /nfs/dbraw/zinc/83/42/91/376834291.db2.gz OFRMAVAHKZWZLL-BFYDXBDKSA-N 1 3 272.436 3.475 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@H]1CCC[N@@H+](C)C1 ZINC000245506617 376834299 /nfs/dbraw/zinc/83/42/99/376834299.db2.gz OFRMAVAHKZWZLL-BFYDXBDKSA-N 1 3 272.436 3.475 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245849115 376917964 /nfs/dbraw/zinc/91/79/64/376917964.db2.gz GAMYJLIFUVSDMP-GVDBMIGSSA-N 1 3 296.499 3.292 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1C ZINC000246095095 376965226 /nfs/dbraw/zinc/96/52/26/376965226.db2.gz IWVDLVMCEHLDDF-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1C ZINC000246095095 376965227 /nfs/dbraw/zinc/96/52/27/376965227.db2.gz IWVDLVMCEHLDDF-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000246095095 376965234 /nfs/dbraw/zinc/96/52/34/376965234.db2.gz IWVDLVMCEHLDDF-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000246095095 376965237 /nfs/dbraw/zinc/96/52/37/376965237.db2.gz IWVDLVMCEHLDDF-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000340524990 377122495 /nfs/dbraw/zinc/12/24/95/377122495.db2.gz UQPYPVYQXIQVOA-XKQJLSEDSA-N 1 3 294.414 3.168 20 0 CGADHO CC(C)CSCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000246618714 377063932 /nfs/dbraw/zinc/06/39/32/377063932.db2.gz IHHDKQOPZZLPEN-HOTGVXAUSA-N 1 3 284.513 3.182 20 0 CGADHO CC(C)CSCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000246618714 377063940 /nfs/dbraw/zinc/06/39/40/377063940.db2.gz IHHDKQOPZZLPEN-HOTGVXAUSA-N 1 3 284.513 3.182 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(OCCN(C)C)cc1 ZINC000340457395 377069241 /nfs/dbraw/zinc/06/92/41/377069241.db2.gz DQTXUCCXEZTNJS-UONOGXRCSA-N 1 3 282.403 3.026 20 0 CGADHO CCS[C@@H]1CC[C@@H](N(C)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000246674274 377069290 /nfs/dbraw/zinc/06/92/90/377069290.db2.gz FQEXQGKETLWJOH-RBSFLKMASA-N 1 3 270.486 3.077 20 0 CGADHO CCS[C@@H]1CC[C@@H](N(C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000246674274 377069293 /nfs/dbraw/zinc/06/92/93/377069293.db2.gz FQEXQGKETLWJOH-RBSFLKMASA-N 1 3 270.486 3.077 20 0 CGADHO Cc1ncc([C@H](C)NCCCCC[NH+]2CCCC2)c(C)n1 ZINC000340477970 377090846 /nfs/dbraw/zinc/09/08/46/377090846.db2.gz YKIFQNHNBKSCAM-AWEZNQCLSA-N 1 3 290.455 3.010 20 0 CGADHO C[C@H](C1CC1)N(C)C[C@H](C)C[N@H+](C)[C@@H](C)C1CC1 ZINC000561564948 377233232 /nfs/dbraw/zinc/23/32/32/377233232.db2.gz KTBIXZLXDDRXEK-BTTYYORXSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](C1CC1)N(C)C[C@H](C)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000561564948 377233240 /nfs/dbraw/zinc/23/32/40/377233240.db2.gz KTBIXZLXDDRXEK-BTTYYORXSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN(C)[C@@H](C)C1CC1)C[N@H+](C)[C@H](C)C1CC1 ZINC000561564948 377233247 /nfs/dbraw/zinc/23/32/47/377233247.db2.gz KTBIXZLXDDRXEK-BTTYYORXSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN(C)[C@@H](C)C1CC1)C[N@@H+](C)[C@H](C)C1CC1 ZINC000561564948 377233253 /nfs/dbraw/zinc/23/32/53/377233253.db2.gz KTBIXZLXDDRXEK-BTTYYORXSA-N 1 3 252.446 3.083 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247975715 377253235 /nfs/dbraw/zinc/25/32/35/377253235.db2.gz KRXLGKRJNBQIAO-GJZGRUSLSA-N 1 3 278.465 3.159 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247975715 377253243 /nfs/dbraw/zinc/25/32/43/377253243.db2.gz KRXLGKRJNBQIAO-GJZGRUSLSA-N 1 3 278.465 3.159 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000561975370 377260121 /nfs/dbraw/zinc/26/01/21/377260121.db2.gz KDNOSOUVKJZLKM-VAMGGRTRSA-N 1 3 298.474 3.454 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000561975370 377260131 /nfs/dbraw/zinc/26/01/31/377260131.db2.gz KDNOSOUVKJZLKM-VAMGGRTRSA-N 1 3 298.474 3.454 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000248429239 377316388 /nfs/dbraw/zinc/31/63/88/377316388.db2.gz SXOZWWHRHMGNCC-BBWFWOEESA-N 1 3 264.457 3.300 20 0 CGADHO C[C@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000562533192 377325959 /nfs/dbraw/zinc/32/59/59/377325959.db2.gz KKBJVQUDBSPEAR-GJZGRUSLSA-N 1 3 273.424 3.050 20 0 CGADHO C[C@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000562533192 377325961 /nfs/dbraw/zinc/32/59/61/377325961.db2.gz KKBJVQUDBSPEAR-GJZGRUSLSA-N 1 3 273.424 3.050 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387707 377304552 /nfs/dbraw/zinc/30/45/52/377304552.db2.gz PPVZCJVDVDQFKZ-NVXWUHKLSA-N 1 3 292.442 3.420 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387707 377304558 /nfs/dbraw/zinc/30/45/58/377304558.db2.gz PPVZCJVDVDQFKZ-NVXWUHKLSA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387707 377304563 /nfs/dbraw/zinc/30/45/63/377304563.db2.gz PPVZCJVDVDQFKZ-NVXWUHKLSA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387707 377304571 /nfs/dbraw/zinc/30/45/71/377304571.db2.gz PPVZCJVDVDQFKZ-NVXWUHKLSA-N 1 3 292.442 3.420 20 0 CGADHO FCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248396966 377305583 /nfs/dbraw/zinc/30/55/83/377305583.db2.gz HNRUIYWLNUKCBM-OKZBNKHCSA-N 1 3 290.426 3.236 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562960391 377377964 /nfs/dbraw/zinc/37/79/64/377377964.db2.gz POYBFYKDTPRNBE-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000562960391 377377970 /nfs/dbraw/zinc/37/79/70/377377970.db2.gz POYBFYKDTPRNBE-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(C[C@H](NCCC[NH2+]C(C)C)C2CC2)cc1 ZINC000562956248 377379794 /nfs/dbraw/zinc/37/97/94/377379794.db2.gz LCFJNVOYRJYPFE-SFHVURJKSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]CCCNC(C)C)C2CC2)cc1 ZINC000562956248 377379802 /nfs/dbraw/zinc/37/98/02/377379802.db2.gz LCFJNVOYRJYPFE-SFHVURJKSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C1(C)C ZINC000248770563 377399998 /nfs/dbraw/zinc/39/99/98/377399998.db2.gz HFJYNRUMUVWZHW-YHUYYLMFSA-N 1 3 282.472 3.041 20 0 CGADHO Cc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000563153781 377410131 /nfs/dbraw/zinc/41/01/31/377410131.db2.gz HBUZSXWNDCYKIA-LBPRGKRZSA-N 1 3 260.406 3.366 20 0 CGADHO Cc1ccc(Br)cc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563423774 377461555 /nfs/dbraw/zinc/46/15/55/377461555.db2.gz IZQPNUFMWWWYST-UONOGXRCSA-N 1 3 297.240 3.117 20 0 CGADHO COc1cc([C@H](C)NCCCCC[NH+]2CCCC2)ccn1 ZINC000563419655 377461804 /nfs/dbraw/zinc/46/18/04/377461804.db2.gz ZHNRCYVQRWSSPW-HNNXBMFYSA-N 1 3 291.439 3.007 20 0 CGADHO C[C@@H](C[NH2+]CC1CCCCCC1)CN1CCCC1 ZINC000089560226 249028801 /nfs/dbraw/zinc/02/88/01/249028801.db2.gz FJHUMIUSVNWAGM-HNNXBMFYSA-N 1 3 252.446 3.278 20 0 CGADHO Cc1ccc(F)c(CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000092380926 249032564 /nfs/dbraw/zinc/03/25/64/249032564.db2.gz STSPNAMTSPTYCG-UHFFFAOYSA-N 1 3 278.415 3.298 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459519628 249154814 /nfs/dbraw/zinc/15/48/14/249154814.db2.gz YRUMTJQISNLGHF-GOSISDBHSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459519628 249154816 /nfs/dbraw/zinc/15/48/16/249154816.db2.gz YRUMTJQISNLGHF-GOSISDBHSA-N 1 3 272.436 3.480 20 0 CGADHO Fc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250192004 377556019 /nfs/dbraw/zinc/55/60/19/377556019.db2.gz KADSILHLKRHGRK-KNIAUWFNSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250192004 377556024 /nfs/dbraw/zinc/55/60/24/377556024.db2.gz KADSILHLKRHGRK-KNIAUWFNSA-N 1 3 288.410 3.288 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000470015147 249165722 /nfs/dbraw/zinc/16/57/22/249165722.db2.gz KXHQFVKDWACAFJ-UHFFFAOYSA-N 1 3 286.419 3.481 20 0 CGADHO COc1ccc([C@H](C)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000469994384 249165862 /nfs/dbraw/zinc/16/58/62/249165862.db2.gz XHUMHZHPYAPZRO-KTFSGNIMSA-N 1 3 288.435 3.014 20 0 CGADHO CC(C)C(C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)C(C)C ZINC000515010902 249198840 /nfs/dbraw/zinc/19/88/40/249198840.db2.gz AJYCDNCWIQECIK-CABCVRRESA-N 1 3 254.462 3.377 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870499 249222904 /nfs/dbraw/zinc/22/29/04/249222904.db2.gz ZTBVJWZNAZXSRI-DTZQCDIJSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870499 249222905 /nfs/dbraw/zinc/22/29/05/249222905.db2.gz ZTBVJWZNAZXSRI-DTZQCDIJSA-N 1 3 278.827 3.446 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000251264426 377577685 /nfs/dbraw/zinc/57/76/85/377577685.db2.gz YILDVGRGQWSHJX-RBSFLKMASA-N 1 3 264.438 3.067 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccc3ccccc3c2)C1 ZINC000517041290 249255367 /nfs/dbraw/zinc/25/53/67/249255367.db2.gz LUTDBLQYKAXUJT-IAGOWNOFSA-N 1 3 284.403 3.078 20 0 CGADHO C[C@H]1CN(Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251553679 377586729 /nfs/dbraw/zinc/58/67/29/377586729.db2.gz BJFHWNWKXLXISE-SUMWQHHRSA-N 1 3 254.377 3.009 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000181481729 542218452 /nfs/dbraw/zinc/21/84/52/542218452.db2.gz BBAMROBYKPPTEF-PBHICJAKSA-N 1 3 260.425 3.384 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC(C)(C)C1 ZINC000252674097 377649546 /nfs/dbraw/zinc/64/95/46/377649546.db2.gz OSJKIPMXQHZNPH-FXUDXRNXSA-N 1 3 264.457 3.418 20 0 CGADHO CSCCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000574439205 377663629 /nfs/dbraw/zinc/66/36/29/377663629.db2.gz GVJZQBZIZCCFEG-CQSZACIVSA-N 1 3 298.521 3.173 20 0 CGADHO CSCCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574439205 377663634 /nfs/dbraw/zinc/66/36/34/377663634.db2.gz GVJZQBZIZCCFEG-CQSZACIVSA-N 1 3 298.521 3.173 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@H](C)[C@H](CN)C1)c1ccccc1 ZINC000253196779 377680765 /nfs/dbraw/zinc/68/07/65/377680765.db2.gz TYUNRBKWPGKCIE-BFYDXBDKSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@H](C)[C@H](CN)C1)c1ccccc1 ZINC000253196779 377680770 /nfs/dbraw/zinc/68/07/70/377680770.db2.gz TYUNRBKWPGKCIE-BFYDXBDKSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CCN1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000253196779 377680775 /nfs/dbraw/zinc/68/07/75/377680775.db2.gz TYUNRBKWPGKCIE-BFYDXBDKSA-N 1 3 260.425 3.097 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261574935 377821410 /nfs/dbraw/zinc/82/14/10/377821410.db2.gz BJKGWFDRPQETNG-LCGIIJARSA-N 1 3 278.827 3.460 20 0 CGADHO CCO[C@@H]1C[C@H](N(C)C[C@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033413 377881794 /nfs/dbraw/zinc/88/17/94/377881794.db2.gz OGZZFUWLTOEPDZ-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO COc1ccc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2c1 ZINC000262490835 377898666 /nfs/dbraw/zinc/89/86/66/377898666.db2.gz KZURQEHVGOPFJD-YTQUADARSA-N 1 3 296.414 3.018 20 0 CGADHO Cc1ccc([C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137854 377888627 /nfs/dbraw/zinc/88/86/27/377888627.db2.gz YVWGDTWJQZOMCU-SJLPKXTDSA-N 1 3 272.436 3.092 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc4ccccc4c3)C[C@H]12 ZINC000261723535 377845492 /nfs/dbraw/zinc/84/54/92/377845492.db2.gz KLXHXMMAWVCJQT-OKZBNKHCSA-N 1 3 266.388 3.009 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261734867 377848003 /nfs/dbraw/zinc/84/80/03/377848003.db2.gz HSHJIYIGFLPRCY-DLBZAZTESA-N 1 3 258.409 3.132 20 0 CGADHO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC000262575027 377902143 /nfs/dbraw/zinc/90/21/43/377902143.db2.gz XZTMBVQWDNDDOX-BMGDILEWSA-N 1 3 296.414 3.018 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000265976740 190220331 /nfs/dbraw/zinc/22/03/31/190220331.db2.gz BYRAVGNFMFSXSQ-CVEARBPZSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000265976740 190220332 /nfs/dbraw/zinc/22/03/32/190220332.db2.gz BYRAVGNFMFSXSQ-CVEARBPZSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ncc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)s1 ZINC000183950344 542233725 /nfs/dbraw/zinc/23/37/25/542233725.db2.gz DIZLTOLAQOWFGA-LBPRGKRZSA-N 1 3 281.469 3.224 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000343624613 378046136 /nfs/dbraw/zinc/04/61/36/378046136.db2.gz QVDJWZGJNXGNBI-ZWKOTPCHSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCNC1)CC(C)(C)C ZINC000579945177 378210382 /nfs/dbraw/zinc/21/03/82/378210382.db2.gz WFAQHRHEZQBMEQ-QLFBSQMISA-N 1 3 254.462 3.427 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000268995809 378168726 /nfs/dbraw/zinc/16/87/26/378168726.db2.gz KNXOGLZMNOZDEU-KBPBESRZSA-N 1 3 271.408 3.226 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)Cc2cnc3ccccc3c2)C1 ZINC000271063817 378444851 /nfs/dbraw/zinc/44/48/51/378444851.db2.gz HQDAYGKLMNGXDH-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cnc3ccccc3c2)C1 ZINC000271063817 378444856 /nfs/dbraw/zinc/44/48/56/378444856.db2.gz HQDAYGKLMNGXDH-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1C ZINC000346847426 378694895 /nfs/dbraw/zinc/69/48/95/378694895.db2.gz MLSDWCBPKVOTTF-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1C ZINC000346847426 378694901 /nfs/dbraw/zinc/69/49/01/378694901.db2.gz MLSDWCBPKVOTTF-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1C ZINC000346847426 378694906 /nfs/dbraw/zinc/69/49/06/378694906.db2.gz MLSDWCBPKVOTTF-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO c1ccc(SC[C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346975599 378702521 /nfs/dbraw/zinc/70/25/21/378702521.db2.gz JLXZTLCDIAKUBQ-JKSUJKDBSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346975599 378702526 /nfs/dbraw/zinc/70/25/26/378702526.db2.gz JLXZTLCDIAKUBQ-JKSUJKDBSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975599 378702529 /nfs/dbraw/zinc/70/25/29/378702529.db2.gz JLXZTLCDIAKUBQ-JKSUJKDBSA-N 1 3 290.476 3.100 20 0 CGADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347932292 378732706 /nfs/dbraw/zinc/73/27/06/378732706.db2.gz MAIVDXFOSMZIFX-DZGCQCFKSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638348203 378774541 /nfs/dbraw/zinc/77/45/41/378774541.db2.gz DWDSCLZJHUDTKV-UHFFFAOYSA-N 1 3 299.462 3.388 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000346784737 218011870 /nfs/dbraw/zinc/01/18/70/218011870.db2.gz YJGSQYBONIURLL-HBUWYVDXSA-N 1 3 283.419 3.053 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158041 378817801 /nfs/dbraw/zinc/81/78/01/378817801.db2.gz HAZIMZBZXKNERC-FUHWJXTLSA-N 1 3 288.435 3.014 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348158041 378817805 /nfs/dbraw/zinc/81/78/05/378817805.db2.gz HAZIMZBZXKNERC-FUHWJXTLSA-N 1 3 288.435 3.014 20 0 CGADHO CO[C@H](CNCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000638601124 378846686 /nfs/dbraw/zinc/84/66/86/378846686.db2.gz KFXLMVRRDDFESI-WMLDXEAASA-N 1 3 290.451 3.130 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000348315841 378903987 /nfs/dbraw/zinc/90/39/87/378903987.db2.gz IGJTUMPZSIDZBI-IMJJTQAJSA-N 1 3 294.414 3.168 20 0 CGADHO C[N@H+](CCNc1ccnc2ccccc21)Cc1ccccc1 ZINC000346939301 218064415 /nfs/dbraw/zinc/06/44/15/218064415.db2.gz HOUOOAMTJFKCAA-UHFFFAOYSA-N 1 3 291.398 3.201 20 0 CGADHO C[N@@H+](CCNc1ccnc2ccccc21)Cc1ccccc1 ZINC000346939301 218064417 /nfs/dbraw/zinc/06/44/17/218064417.db2.gz HOUOOAMTJFKCAA-UHFFFAOYSA-N 1 3 291.398 3.201 20 0 CGADHO CC1CC[NH+](C2CCC(NCc3ccns3)CC2)CC1 ZINC000638775139 378908064 /nfs/dbraw/zinc/90/80/64/378908064.db2.gz BNVGMPMKOOXDID-UHFFFAOYSA-N 1 3 293.480 3.276 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)c1 ZINC000346996289 218085447 /nfs/dbraw/zinc/08/54/47/218085447.db2.gz WKAGDAWXFVLJLP-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)c1 ZINC000346996289 218085449 /nfs/dbraw/zinc/08/54/49/218085449.db2.gz WKAGDAWXFVLJLP-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO CSc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275303961 378955382 /nfs/dbraw/zinc/95/53/82/378955382.db2.gz QOZKLYDOQVTRIM-BBRMVZONSA-N 1 3 278.465 3.181 20 0 CGADHO CSc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275303961 378955389 /nfs/dbraw/zinc/95/53/89/378955389.db2.gz QOZKLYDOQVTRIM-BBRMVZONSA-N 1 3 278.465 3.181 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000434779019 296285328 /nfs/dbraw/zinc/28/53/28/296285328.db2.gz UOCRLAVOGRSYKM-KBXIAJHMSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000300141280 296285507 /nfs/dbraw/zinc/28/55/07/296285507.db2.gz RLWCQXKPXVKLEP-BARDWOONSA-N 1 3 250.430 3.028 20 0 CGADHO C[NH2+]CC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000347204044 218154248 /nfs/dbraw/zinc/15/42/48/218154248.db2.gz LFTMRAVQFXAWGU-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)CC1 ZINC000277046274 379053583 /nfs/dbraw/zinc/05/35/83/379053583.db2.gz CEDIXYQLVSXFRK-MRXNPFEDSA-N 1 3 294.414 3.011 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)CC1 ZINC000277046274 379053588 /nfs/dbraw/zinc/05/35/88/379053588.db2.gz CEDIXYQLVSXFRK-MRXNPFEDSA-N 1 3 294.414 3.011 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1C[C@H]1C ZINC000348971236 379127421 /nfs/dbraw/zinc/12/74/21/379127421.db2.gz XYGDHRIEJJZBGB-PBHICJAKSA-N 1 3 260.425 3.226 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1C[C@H]1C ZINC000348971236 379127430 /nfs/dbraw/zinc/12/74/30/379127430.db2.gz XYGDHRIEJJZBGB-PBHICJAKSA-N 1 3 260.425 3.226 20 0 CGADHO Cc1c[nH+]ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000191977029 542262735 /nfs/dbraw/zinc/26/27/35/542262735.db2.gz LHXGFAHNNYGYBT-OAHLLOKOSA-N 1 3 271.364 3.232 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000639360360 379318597 /nfs/dbraw/zinc/31/85/97/379318597.db2.gz WADMSYDJNCGLRD-CYGHRXIMSA-N 1 3 272.436 3.000 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CCCN(C2CCC2)C1 ZINC000639581841 379489313 /nfs/dbraw/zinc/48/93/13/379489313.db2.gz ZOTSWMATCKVXEI-ZOBUZTSGSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581841 379489317 /nfs/dbraw/zinc/48/93/17/379489317.db2.gz ZOTSWMATCKVXEI-ZOBUZTSGSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@@H]1CC(C)(C)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581841 379489321 /nfs/dbraw/zinc/48/93/21/379489321.db2.gz ZOTSWMATCKVXEI-ZOBUZTSGSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000279705636 379495952 /nfs/dbraw/zinc/49/59/52/379495952.db2.gz JXRDYZFOXYLNQY-NUJGCVRESA-N 1 3 290.451 3.084 20 0 CGADHO C[C@@H](c1c(F)cccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757316 379572327 /nfs/dbraw/zinc/57/23/27/379572327.db2.gz FVEFQCUJRLGPFI-ZDUSSCGKSA-N 1 3 294.389 3.444 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000352536003 379846683 /nfs/dbraw/zinc/84/66/83/379846683.db2.gz YHGOHXIXNJHVQN-GOSISDBHSA-N 1 3 272.436 3.187 20 0 CGADHO COCc1cccc(C[N@H+](CCCN)CC2CCCC2)c1 ZINC000352545098 379850124 /nfs/dbraw/zinc/85/01/24/379850124.db2.gz FSXUSEWLSNVBLW-UHFFFAOYSA-N 1 3 290.451 3.174 20 0 CGADHO COCc1cccc(C[N@@H+](CCCN)CC2CCCC2)c1 ZINC000352545098 379850128 /nfs/dbraw/zinc/85/01/28/379850128.db2.gz FSXUSEWLSNVBLW-UHFFFAOYSA-N 1 3 290.451 3.174 20 0 CGADHO COCc1cccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000352545098 379850136 /nfs/dbraw/zinc/85/01/36/379850136.db2.gz FSXUSEWLSNVBLW-UHFFFAOYSA-N 1 3 290.451 3.174 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1CCSCc1ccccc1 ZINC000352546123 379853037 /nfs/dbraw/zinc/85/30/37/379853037.db2.gz PUQWSUCSZCHXGS-INIZCTEOSA-N 1 3 278.465 3.123 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1CCSCc1ccccc1 ZINC000352546124 379853530 /nfs/dbraw/zinc/85/35/30/379853530.db2.gz PUQWSUCSZCHXGS-MRXNPFEDSA-N 1 3 278.465 3.123 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1CCC1 ZINC000379043623 379858921 /nfs/dbraw/zinc/85/89/21/379858921.db2.gz CDLPSWYMTLWPTQ-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1(C2CC2)CCC1 ZINC000391505309 379909032 /nfs/dbraw/zinc/90/90/32/379909032.db2.gz JTQDYZXSCJIBHC-BRWVUGGUSA-N 1 3 276.468 3.467 20 0 CGADHO CC(C)C[NH+]1CCC(NC2CC(OC(C)(C)C)C2)CC1 ZINC000352702075 379916800 /nfs/dbraw/zinc/91/68/00/379916800.db2.gz QTWMUUGFBQBIMK-UHFFFAOYSA-N 1 3 282.472 3.043 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394595 380093545 /nfs/dbraw/zinc/09/35/45/380093545.db2.gz BZRHLLZNBJZJSH-JKSUJKDBSA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410394595 380093550 /nfs/dbraw/zinc/09/35/50/380093550.db2.gz BZRHLLZNBJZJSH-JKSUJKDBSA-N 1 3 254.462 3.332 20 0 CGADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCc1ccc2ccccc2c1 ZINC000641801703 380111722 /nfs/dbraw/zinc/11/17/22/380111722.db2.gz DZHOQMDIRDZROO-IRXDYDNUSA-N 1 3 268.404 3.098 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CNC2CCC(C[NH3+])CC2)o1 ZINC000643472015 380316646 /nfs/dbraw/zinc/31/66/46/380316646.db2.gz DRBZATRHFVJFFC-CLTVBZQCSA-N 1 3 262.397 3.010 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNC2CCC(C[NH3+])CC2)o1 ZINC000643472017 380317727 /nfs/dbraw/zinc/31/77/27/380317727.db2.gz DRBZATRHFVJFFC-LPXQKFACSA-N 1 3 262.397 3.010 20 0 CGADHO C[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@@H]1CCCNC1 ZINC000643482086 380318826 /nfs/dbraw/zinc/31/88/26/380318826.db2.gz ALPKGRFRIUMJRB-UKRRQHHQSA-N 1 3 296.405 3.265 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457572 380310477 /nfs/dbraw/zinc/31/04/77/380310477.db2.gz NKSFYOWLQQNGAG-NHYWBVRUSA-N 1 3 291.826 3.081 20 0 CGADHO C[C@H]([NH2+]CC1(c2ccccc2)CCCCC1)C1CNC1 ZINC000643460778 380311742 /nfs/dbraw/zinc/31/17/42/380311742.db2.gz XESPRWAACVQALD-HNNXBMFYSA-N 1 3 272.436 3.086 20 0 CGADHO C[C@H](NCC1(c2ccccc2)CCCCC1)C1C[NH2+]C1 ZINC000643460778 380311747 /nfs/dbraw/zinc/31/17/47/380311747.db2.gz XESPRWAACVQALD-HNNXBMFYSA-N 1 3 272.436 3.086 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1 ZINC000643463532 380311900 /nfs/dbraw/zinc/31/19/00/380311900.db2.gz BGOVVBDHBLUHMX-GOEBONIOSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643547982 380363742 /nfs/dbraw/zinc/36/37/42/380363742.db2.gz LLZAESTUGFOWDV-BARDWOONSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCC(F)(F)CC1 ZINC000643548014 380363788 /nfs/dbraw/zinc/36/37/88/380363788.db2.gz LQMPPHCKYFGIRD-TZMCWYRMSA-N 1 3 286.410 3.465 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548948 380365212 /nfs/dbraw/zinc/36/52/12/380365212.db2.gz XVWBLWONHDEQHJ-WCVJEAGWSA-N 1 3 264.457 3.466 20 0 CGADHO CC1(C)CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643548925 380365295 /nfs/dbraw/zinc/36/52/95/380365295.db2.gz XQBISSQVRHJTPJ-KBPBESRZSA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548945 380365397 /nfs/dbraw/zinc/36/53/97/380365397.db2.gz XVWBLWONHDEQHJ-FPCVCCKLSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548445 380365413 /nfs/dbraw/zinc/36/54/13/380365413.db2.gz PLEPTNXHCWZZRW-MGPQQGTHSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643548657 380365820 /nfs/dbraw/zinc/36/58/20/380365820.db2.gz SSNPNJAETSGUPE-HZPDHXFCSA-N 1 3 264.457 3.466 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+][C@@H]2CCCNCC2)C(C)C)cc1 ZINC000643523248 380339354 /nfs/dbraw/zinc/33/93/54/380339354.db2.gz YLVJFWFTHATPLO-QZTJIDSGSA-N 1 3 274.452 3.294 20 0 CGADHO CCCCCOc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526310 380343123 /nfs/dbraw/zinc/34/31/23/380343123.db2.gz ZACOQCCVHDKHHF-KBPBESRZSA-N 1 3 264.413 3.253 20 0 CGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)N ZINC000643528862 380345508 /nfs/dbraw/zinc/34/55/08/380345508.db2.gz QGKNOVWKMDOZDT-NWDGAFQWSA-N 1 3 289.448 3.425 20 0 CGADHO C[C@H](N)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000643529077 380346714 /nfs/dbraw/zinc/34/67/14/380346714.db2.gz ULKHSGAZLNRTNO-AAEUAGOBSA-N 1 3 287.432 3.124 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CCc2ccc(C(C)C)cc2)C1 ZINC000414648778 380350731 /nfs/dbraw/zinc/35/07/31/380350731.db2.gz BKRSYFGLPPZGGY-KRWDZBQOSA-N 1 3 274.452 3.284 20 0 CGADHO CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1F ZINC000643535716 380352685 /nfs/dbraw/zinc/35/26/85/380352685.db2.gz OXWJYUDCQBDLID-LSDHHAIUSA-N 1 3 262.372 3.009 20 0 CGADHO CC(C)[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccnc1 ZINC000643547280 380361190 /nfs/dbraw/zinc/36/11/90/380361190.db2.gz CCBUYWUXKOAYAN-HZPDHXFCSA-N 1 3 273.424 3.043 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCC(F)(F)CC1 ZINC000643548012 380362962 /nfs/dbraw/zinc/36/29/62/380362962.db2.gz LQMPPHCKYFGIRD-OCCSQVGLSA-N 1 3 286.410 3.465 20 0 CGADHO C[C@H](N)CC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414819630 380430155 /nfs/dbraw/zinc/43/01/55/380430155.db2.gz HZHZMMGVDCSKRH-UQPPLGOBSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@@H](CCC1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825016 380434110 /nfs/dbraw/zinc/43/41/10/380434110.db2.gz GOFGVTKVPMUIEM-NTQSIJHJSA-N 1 3 250.430 3.218 20 0 CGADHO Cc1cc(F)c(CNCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414831300 380440523 /nfs/dbraw/zinc/44/05/23/380440523.db2.gz CVYGXBWXJISPDC-GFCCVEGCSA-N 1 3 284.806 3.267 20 0 CGADHO CCC[C@@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000414834037 380441841 /nfs/dbraw/zinc/44/18/41/380441841.db2.gz SJINIAAQHLKHBH-RDJZCZTQSA-N 1 3 260.425 3.160 20 0 CGADHO Cc1cc(C[NH2+]CC2(N)CCCCC2)cc2cccnc12 ZINC000414839842 380445447 /nfs/dbraw/zinc/44/54/47/380445447.db2.gz JSBPHBQGWVVKMH-UHFFFAOYSA-N 1 3 283.419 3.294 20 0 CGADHO Fc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772785 380398606 /nfs/dbraw/zinc/39/86/06/380398606.db2.gz CLCUYRAIVLYIOK-KBPBESRZSA-N 1 3 296.817 3.301 20 0 CGADHO Fc1c(Cl)cccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777893 380401166 /nfs/dbraw/zinc/40/11/66/380401166.db2.gz IOJWFNXUNARZTR-OLZOCXBDSA-N 1 3 296.817 3.301 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1coc2ccccc12 ZINC000414794454 380408775 /nfs/dbraw/zinc/40/87/75/380408775.db2.gz FQVUCHKDKFPWEW-SWLSCSKDSA-N 1 3 258.365 3.040 20 0 CGADHO C1CCC([C@H]2CCCC[C@H]2[NH2+]C2CCNCC2)CC1 ZINC000414795816 380410254 /nfs/dbraw/zinc/41/02/54/380410254.db2.gz XEICXASKHRIXGQ-IAGOWNOFSA-N 1 3 264.457 3.467 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc2ccccc2o1 ZINC000414798044 380410542 /nfs/dbraw/zinc/41/05/42/380410542.db2.gz IYWHWEIZCHPRDY-HIFRSBDPSA-N 1 3 258.365 3.040 20 0 CGADHO COCc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414805566 380418728 /nfs/dbraw/zinc/41/87/28/380418728.db2.gz GOJSDYPXTFTGDJ-CQSZACIVSA-N 1 3 284.403 3.143 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CCC[C@H]([NH3+])C3)ccc2c1 ZINC000414935956 380496478 /nfs/dbraw/zinc/49/64/78/380496478.db2.gz YYVMLLBBLYOXCX-DLBZAZTESA-N 1 3 284.403 3.208 20 0 CGADHO CNCCC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000414861873 380460986 /nfs/dbraw/zinc/46/09/86/380460986.db2.gz TZWXNAUQYJQFFW-UHFFFAOYSA-N 1 3 282.431 3.040 20 0 CGADHO C[NH2+]CCCNC(Cc1ccccc1)Cc1ccccc1 ZINC000414861873 380460991 /nfs/dbraw/zinc/46/09/91/380460991.db2.gz TZWXNAUQYJQFFW-UHFFFAOYSA-N 1 3 282.431 3.040 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414876583 380469973 /nfs/dbraw/zinc/46/99/73/380469973.db2.gz LQWIXFOZZADRPI-KCPJHIHWSA-N 1 3 266.816 3.161 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(-c2ccccc2F)s1 ZINC000414883745 380474535 /nfs/dbraw/zinc/47/45/35/380474535.db2.gz NKKKVTASMAGIMB-NSHDSACASA-N 1 3 278.396 3.381 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000414889925 380476220 /nfs/dbraw/zinc/47/62/20/380476220.db2.gz LXEGWISMNVRANL-BZUAXINKSA-N 1 3 278.827 3.303 20 0 CGADHO [NH3+][C@@H](CNC(Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000414889915 380476481 /nfs/dbraw/zinc/47/64/81/380476481.db2.gz LVXHYOLRVDABHU-FQEVSTJZSA-N 1 3 294.442 3.167 20 0 CGADHO Cc1cccc(CC[C@@H](C)NCC[C@H]2CCC[NH2+]2)c1 ZINC000414906882 380484018 /nfs/dbraw/zinc/48/40/18/380484018.db2.gz PUVTZNYINVCXID-NVXWUHKLSA-N 1 3 260.425 3.048 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000189312904 296313176 /nfs/dbraw/zinc/31/31/76/296313176.db2.gz IEYNORSTSORSEM-KURKYZTESA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000189312904 296313178 /nfs/dbraw/zinc/31/31/78/296313178.db2.gz IEYNORSTSORSEM-KURKYZTESA-N 1 3 294.483 3.142 20 0 CGADHO CSC1(C[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCC1 ZINC000356088888 380790743 /nfs/dbraw/zinc/79/07/43/380790743.db2.gz CVXCZIDWSWFKAX-OAHLLOKOSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(CNC[C@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000356088888 380790748 /nfs/dbraw/zinc/79/07/48/380790748.db2.gz CVXCZIDWSWFKAX-OAHLLOKOSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000356088888 380790753 /nfs/dbraw/zinc/79/07/53/380790753.db2.gz CVXCZIDWSWFKAX-OAHLLOKOSA-N 1 3 284.513 3.230 20 0 CGADHO Cc1csc([C@H]2CCCCN2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420315093 380849441 /nfs/dbraw/zinc/84/94/41/380849441.db2.gz KVBSHPZAOQOXJI-LSDHHAIUSA-N 1 3 293.480 3.368 20 0 CGADHO Cc1csc([C@H]2CCCCN2CCC2CC[NH2+]CC2)n1 ZINC000359227583 381341518 /nfs/dbraw/zinc/34/15/18/381341518.db2.gz WQUNENKYTSGFRK-OAHLLOKOSA-N 1 3 293.480 3.368 20 0 CGADHO c1cnc2ccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000334866682 207212827 /nfs/dbraw/zinc/21/28/27/207212827.db2.gz BPPXPJYHAMKKEL-PKOBYXMFSA-N 1 3 295.430 3.199 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397949 381731391 /nfs/dbraw/zinc/73/13/91/381731391.db2.gz ZOJFFAMYRPJRIB-KZNAEPCWSA-N 1 3 272.436 3.206 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397949 381731399 /nfs/dbraw/zinc/73/13/99/381731399.db2.gz ZOJFFAMYRPJRIB-KZNAEPCWSA-N 1 3 272.436 3.206 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361397949 381731403 /nfs/dbraw/zinc/73/14/03/381731403.db2.gz ZOJFFAMYRPJRIB-KZNAEPCWSA-N 1 3 272.436 3.206 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000226541664 542292232 /nfs/dbraw/zinc/29/22/32/542292232.db2.gz GRTIFBVPBYIWQK-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@@H]1CCC[C@H](NCCC[N@H+](C)C2CCCCC2)C1 ZINC000226541664 542292236 /nfs/dbraw/zinc/29/22/36/542292236.db2.gz GRTIFBVPBYIWQK-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@@H]1CCC[C@H](NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000226541664 542292242 /nfs/dbraw/zinc/29/22/42/542292242.db2.gz GRTIFBVPBYIWQK-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2ccncc2)CC1 ZINC000367177042 382337997 /nfs/dbraw/zinc/33/79/97/382337997.db2.gz UOJCZEXBSZNVES-UHFFFAOYSA-N 1 3 299.393 3.322 20 0 CGADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ccncc2)CC1 ZINC000367177042 382338003 /nfs/dbraw/zinc/33/80/03/382338003.db2.gz UOJCZEXBSZNVES-UHFFFAOYSA-N 1 3 299.393 3.322 20 0 CGADHO CO[C@@H](C)[C@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000368466205 382375511 /nfs/dbraw/zinc/37/55/11/382375511.db2.gz PGBVWNMGRVKQPA-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](C)[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000368466205 382375520 /nfs/dbraw/zinc/37/55/20/382375520.db2.gz PGBVWNMGRVKQPA-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@H]1N ZINC000251873169 542348637 /nfs/dbraw/zinc/34/86/37/542348637.db2.gz UPAKUWHGMUKPFF-XYPHTWIQSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC[C@H]1N ZINC000251873169 542348638 /nfs/dbraw/zinc/34/86/38/542348638.db2.gz UPAKUWHGMUKPFF-XYPHTWIQSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1CN([C@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000251873169 542348639 /nfs/dbraw/zinc/34/86/39/542348639.db2.gz UPAKUWHGMUKPFF-XYPHTWIQSA-N 1 3 258.409 3.123 20 0 CGADHO CC[N@H+](C[C@@H]1CCC[C@H](C)C1)[C@@H]1CCCNCC1 ZINC000261745864 285031739 /nfs/dbraw/zinc/03/17/39/285031739.db2.gz BURGSDLBKAUOIA-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCC[C@H](C)C1)[C@@H]1CCCNCC1 ZINC000261745864 285031741 /nfs/dbraw/zinc/03/17/41/285031741.db2.gz BURGSDLBKAUOIA-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cc(C[NH2+][C@H]2CCNCC2(C)C)c2ccccc2n1 ZINC000335287552 208108599 /nfs/dbraw/zinc/10/85/99/208108599.db2.gz JAMBCQOECAWXQO-KRWDZBQOSA-N 1 3 283.419 3.021 20 0 CGADHO CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424372576 533058344 /nfs/dbraw/zinc/05/83/44/533058344.db2.gz ICSXZUKYJSTPBQ-MRVWCRGKSA-N 1 3 264.438 3.329 20 0 CGADHO CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425930518 533060056 /nfs/dbraw/zinc/06/00/56/533060056.db2.gz IMGORZKOPKAGCK-OLZOCXBDSA-N 1 3 266.454 3.257 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CC[C@H]1C1CC1)C(C)C ZINC000348119033 542516255 /nfs/dbraw/zinc/51/62/55/542516255.db2.gz FOPJSZPJCLNJHK-JKSUJKDBSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)N(CCC[NH2+][C@@H]1CC[C@H]1C1CC1)C(C)C ZINC000348119033 542516257 /nfs/dbraw/zinc/51/62/57/542516257.db2.gz FOPJSZPJCLNJHK-JKSUJKDBSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)N1CCCCC1 ZINC000348378479 542519252 /nfs/dbraw/zinc/51/92/52/542519252.db2.gz HGOTXVKBKGUTCJ-FVQBIDKESA-N 1 3 250.430 3.029 20 0 CGADHO [NH3+]CCCN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000414737091 542638672 /nfs/dbraw/zinc/63/86/72/542638672.db2.gz HFIYFVJPMXLBOP-UHFFFAOYSA-N 1 3 286.341 3.234 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414933401 542640900 /nfs/dbraw/zinc/64/09/00/542640900.db2.gz WVQNFSHFDJTREK-UHOFOFEASA-N 1 3 264.388 3.006 20 0 CGADHO C[C@@H](CNCCC[NH3+])c1c(Cl)cccc1Cl ZINC000415089425 542642045 /nfs/dbraw/zinc/64/20/45/542642045.db2.gz XQCCJWBMVMIXTH-VIFPVBQESA-N 1 3 261.196 3.035 20 0 CGADHO C[C@@H](C[NH2+]CCCN)c1c(Cl)cccc1Cl ZINC000415089425 542642049 /nfs/dbraw/zinc/64/20/49/542642049.db2.gz XQCCJWBMVMIXTH-VIFPVBQESA-N 1 3 261.196 3.035 20 0 CGADHO NCCC[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000415106167 542643090 /nfs/dbraw/zinc/64/30/90/542643090.db2.gz MSXDXMCJMBWZTE-JAGHRAMZSA-N 1 3 292.426 3.222 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCCC1 ZINC000054077705 392088452 /nfs/dbraw/zinc/08/84/52/392088452.db2.gz UTEGVYSPODXRLK-LBPRGKRZSA-N 1 3 252.446 3.464 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000423081168 542647099 /nfs/dbraw/zinc/64/70/99/542647099.db2.gz UJKWGSYWEWNZTK-IAGOWNOFSA-N 1 3 258.409 3.314 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000056522334 392103820 /nfs/dbraw/zinc/10/38/20/392103820.db2.gz KBGJQBRRPLYTPM-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO Cc1cc(CN2CCCC[C@@H]2CC[NH3+])c(C)s1 ZINC000070148733 392177128 /nfs/dbraw/zinc/17/71/28/392177128.db2.gz ABGWXIFZRYDVHL-CQSZACIVSA-N 1 3 252.427 3.068 20 0 CGADHO CCS[C@H]1CC[C@H](N(C)CCC[NH+]2CCCCC2)C1 ZINC000361260447 392270220 /nfs/dbraw/zinc/27/02/20/392270220.db2.gz BXWZYTWOTHKUHJ-HOTGVXAUSA-N 1 3 284.513 3.468 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000285808611 392332177 /nfs/dbraw/zinc/33/21/77/392332177.db2.gz WHOHUQWUGBDQSF-XJKSGUPXSA-N 1 3 271.408 3.049 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2[nH]1 ZINC000285808611 392332183 /nfs/dbraw/zinc/33/21/83/392332183.db2.gz WHOHUQWUGBDQSF-XJKSGUPXSA-N 1 3 271.408 3.049 20 0 CGADHO CC/C=C\CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326503 542680697 /nfs/dbraw/zinc/68/06/97/542680697.db2.gz SGXUSWXDKQTWMM-PHCRLAQASA-N 1 3 258.409 3.378 20 0 CGADHO CC/C=C\CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453326503 542680701 /nfs/dbraw/zinc/68/07/01/542680701.db2.gz SGXUSWXDKQTWMM-PHCRLAQASA-N 1 3 258.409 3.378 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362922581 392421891 /nfs/dbraw/zinc/42/18/91/392421891.db2.gz DSOSVLXTUYWPLG-HUUCEWRRSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000126562336 392442965 /nfs/dbraw/zinc/44/29/65/392442965.db2.gz DTVWCPCIQTWDFJ-KZNAEPCWSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126562336 392442968 /nfs/dbraw/zinc/44/29/68/392442968.db2.gz DTVWCPCIQTWDFJ-KZNAEPCWSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126562336 392442972 /nfs/dbraw/zinc/44/29/72/392442972.db2.gz DTVWCPCIQTWDFJ-KZNAEPCWSA-N 1 3 272.436 3.224 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000126565423 392442987 /nfs/dbraw/zinc/44/29/87/392442987.db2.gz BOHNGWVUBWUKEE-GVDBMIGSSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000126565423 392442991 /nfs/dbraw/zinc/44/29/91/392442991.db2.gz BOHNGWVUBWUKEE-GVDBMIGSSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000126564977 392443013 /nfs/dbraw/zinc/44/30/13/392443013.db2.gz BOHNGWVUBWUKEE-BRWVUGGUSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000126564977 392443017 /nfs/dbraw/zinc/44/30/17/392443017.db2.gz BOHNGWVUBWUKEE-BRWVUGGUSA-N 1 3 290.838 3.024 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc(-c2ccccn2)c1)CN(C)C ZINC000291636311 392474234 /nfs/dbraw/zinc/47/42/34/392474234.db2.gz AYHUXMXAVGTPAZ-OAHLLOKOSA-N 1 3 283.419 3.036 20 0 CGADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292259019 392502422 /nfs/dbraw/zinc/50/24/22/392502422.db2.gz YKSDUJANEQPKLK-SFHVURJKSA-N 1 3 288.435 3.001 20 0 CGADHO CC(C)Oc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292259019 392502430 /nfs/dbraw/zinc/50/24/30/392502430.db2.gz YKSDUJANEQPKLK-SFHVURJKSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000157947196 392551853 /nfs/dbraw/zinc/55/18/53/392551853.db2.gz HPFRONQENDRDMN-GJZGRUSLSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000157947196 392551856 /nfs/dbraw/zinc/55/18/56/392551856.db2.gz HPFRONQENDRDMN-GJZGRUSLSA-N 1 3 264.413 3.442 20 0 CGADHO CC(C)C(C[NH2+]C[C@@H]1CCN(C(C)C)C1)C(C)C ZINC000302619595 392617910 /nfs/dbraw/zinc/61/79/10/392617910.db2.gz ZSTAHGSMYWKIKP-HNNXBMFYSA-N 1 3 254.462 3.235 20 0 CGADHO COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c2ccccc12 ZINC000319561265 392670849 /nfs/dbraw/zinc/67/08/49/392670849.db2.gz RRBYGNCGQVCSNW-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c2ccccc12 ZINC000319561265 392670856 /nfs/dbraw/zinc/67/08/56/392670856.db2.gz RRBYGNCGQVCSNW-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO COc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)c2ccccc12 ZINC000319561265 392670862 /nfs/dbraw/zinc/67/08/62/392670862.db2.gz RRBYGNCGQVCSNW-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(F)F ZINC000647318434 392661448 /nfs/dbraw/zinc/66/14/48/392661448.db2.gz PFCMUKBMAXUMIY-NSHDSACASA-N 1 3 262.388 3.130 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374165 392662852 /nfs/dbraw/zinc/66/28/52/392662852.db2.gz KOSQRKMZNKXNTB-JYJNAYRXSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374165 392662854 /nfs/dbraw/zinc/66/28/54/392662854.db2.gz KOSQRKMZNKXNTB-JYJNAYRXSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](CCN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482581 392736224 /nfs/dbraw/zinc/73/62/24/392736224.db2.gz QULCDBWSEQJGOO-OAHLLOKOSA-N 1 3 272.436 3.397 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000647485290 392739285 /nfs/dbraw/zinc/73/92/85/392739285.db2.gz MEWOGGZGXGSIFF-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000647485290 392739290 /nfs/dbraw/zinc/73/92/90/392739290.db2.gz MEWOGGZGXGSIFF-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO COCCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183186251 392754372 /nfs/dbraw/zinc/75/43/72/392754372.db2.gz NDTIQGMJQXZLLA-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000334869406 392755894 /nfs/dbraw/zinc/75/58/94/392755894.db2.gz VRSPRJKSPAUKHW-ZIAGYGMSSA-N 1 3 256.409 3.120 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561732 392701877 /nfs/dbraw/zinc/70/18/77/392701877.db2.gz OZYVKTMQOZFZBM-YLQAJVPDSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561732 392701883 /nfs/dbraw/zinc/70/18/83/392701883.db2.gz OZYVKTMQOZFZBM-YLQAJVPDSA-N 1 3 276.399 3.275 20 0 CGADHO COc1ccsc1[C@@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000186116190 392777727 /nfs/dbraw/zinc/77/77/27/392777727.db2.gz PFDRMTVJXQBQRY-GFCCVEGCSA-N 1 3 294.464 3.282 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000647803341 392805464 /nfs/dbraw/zinc/80/54/64/392805464.db2.gz VTGHIYWUHWYXCV-GOSISDBHSA-N 1 3 284.378 3.452 20 0 CGADHO C1CC2(C1)CC([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000335858259 392820371 /nfs/dbraw/zinc/82/03/71/392820371.db2.gz PZYMISPIXUNHPX-UHFFFAOYSA-N 1 3 262.441 3.316 20 0 CGADHO CCCN(C[C@H]1CC[NH2+]C1)[C@H](CC)c1ccccc1 ZINC000647878615 392820752 /nfs/dbraw/zinc/82/07/52/392820752.db2.gz UBBOOFTYFKTBDP-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO FC1(F)CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000336252939 392844092 /nfs/dbraw/zinc/84/40/92/392844092.db2.gz DEPDNIOEKBWBQZ-KGLIPLIRSA-N 1 3 272.383 3.028 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000337999742 392895258 /nfs/dbraw/zinc/89/52/58/392895258.db2.gz XSRDBYAVJAHUGV-QZTJIDSGSA-N 1 3 272.436 3.417 20 0 CGADHO CC1=CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000336359258 392850986 /nfs/dbraw/zinc/85/09/86/392850986.db2.gz KNWPFMGLQSPDRF-OAHLLOKOSA-N 1 3 262.441 3.482 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2C[C@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215311 392864110 /nfs/dbraw/zinc/86/41/10/392864110.db2.gz PBXGIADDNVUNSB-OGWHTMIXSA-N 1 3 286.463 3.499 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000401585434 392950762 /nfs/dbraw/zinc/95/07/62/392950762.db2.gz MQONKJZPRVGMET-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000219870042 393002657 /nfs/dbraw/zinc/00/26/57/393002657.db2.gz SBBYPFXEFWEEFX-LBPRGKRZSA-N 1 3 266.816 3.208 20 0 CGADHO CC(C)C1CCC([N@H+](C)C[C@H]2CCCNC2)CC1 ZINC000232544598 393026779 /nfs/dbraw/zinc/02/67/79/393026779.db2.gz PIMBOLTVQVTQBH-FHERZECASA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C1CCC([N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC000232544598 393026783 /nfs/dbraw/zinc/02/67/83/393026783.db2.gz PIMBOLTVQVTQBH-FHERZECASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000415006618 393089960 /nfs/dbraw/zinc/08/99/60/393089960.db2.gz KSHCLGWFJVOAPZ-GHMZBOCLSA-N 1 3 278.396 3.380 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000415017644 393098414 /nfs/dbraw/zinc/09/84/14/393098414.db2.gz QISREIXJMUEUND-KBPBESRZSA-N 1 3 284.403 3.188 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@@H]1N ZINC000414654630 393049933 /nfs/dbraw/zinc/04/99/33/393049933.db2.gz GHUUIQXYSQWGED-NRSFXHEJSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@@H]1N ZINC000414654630 393049940 /nfs/dbraw/zinc/04/99/40/393049940.db2.gz GHUUIQXYSQWGED-NRSFXHEJSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1CN([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000414654630 393049943 /nfs/dbraw/zinc/04/99/43/393049943.db2.gz GHUUIQXYSQWGED-NRSFXHEJSA-N 1 3 272.436 3.166 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)cc1 ZINC000414861272 393056720 /nfs/dbraw/zinc/05/67/20/393056720.db2.gz WJKBJXWKKNBMML-BQFCYCMXSA-N 1 3 274.452 3.294 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3cccs3)n2)C1 ZINC000415038834 393106958 /nfs/dbraw/zinc/10/69/58/393106958.db2.gz NPECPRBXXXOAEN-MNOVXSKESA-N 1 3 293.461 3.089 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CCNC[C@@H]1C ZINC000414955199 393063726 /nfs/dbraw/zinc/06/37/26/393063726.db2.gz LUTBTZIQMYFCNS-WFASDCNBSA-N 1 3 266.816 3.044 20 0 CGADHO COCc1cccc(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415048837 393112293 /nfs/dbraw/zinc/11/22/93/393112293.db2.gz GHCKGXVYLFQZBY-IBGZPJMESA-N 1 3 298.430 3.403 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415047853 393113332 /nfs/dbraw/zinc/11/33/32/393113332.db2.gz WJRNRNWAVCFGFM-WCBMZHEXSA-N 1 3 291.197 3.350 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000415048692 393113409 /nfs/dbraw/zinc/11/34/09/393113409.db2.gz XEVDSXZCUUPGIF-CABZTGNLSA-N 1 3 273.207 3.210 20 0 CGADHO CC1(C)CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252513526 393124850 /nfs/dbraw/zinc/12/48/50/393124850.db2.gz VWHUUTYKRHFOGL-GJZGRUSLSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000415083452 393135929 /nfs/dbraw/zinc/13/59/29/393135929.db2.gz FLXPBNDMSJUZIG-OAHLLOKOSA-N 1 3 260.425 3.004 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H]1CCC[NH2+]CC1 ZINC000415083452 393135934 /nfs/dbraw/zinc/13/59/34/393135934.db2.gz FLXPBNDMSJUZIG-OAHLLOKOSA-N 1 3 260.425 3.004 20 0 CGADHO c1ccc(CC2(NC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000548157837 393181447 /nfs/dbraw/zinc/18/14/47/393181447.db2.gz XQAXFTULXWBBOC-UHFFFAOYSA-N 1 3 284.447 3.226 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1c2ccccc2C[C@@H]1C ZINC000415084752 393138351 /nfs/dbraw/zinc/13/83/51/393138351.db2.gz HNMUVAMBHHZUHQ-UICACZKSSA-N 1 3 258.409 3.040 20 0 CGADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415086499 393138424 /nfs/dbraw/zinc/13/84/24/393138424.db2.gz JSDJRMUKZJLICZ-RCCFBDPRSA-N 1 3 298.430 3.486 20 0 CGADHO Clc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415091474 393142175 /nfs/dbraw/zinc/14/21/75/393142175.db2.gz QDTBQKCFLRUDFJ-BRWVUGGUSA-N 1 3 292.854 3.393 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415095297 393143011 /nfs/dbraw/zinc/14/30/11/393143011.db2.gz ZJNWHIIPLMHZQW-USXIJHARSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1cc2ccccc2o1 ZINC000415092928 393143463 /nfs/dbraw/zinc/14/34/63/393143463.db2.gz UIZJMQNCIPKXTH-HIFRSBDPSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@H]1CCN(Cc2cc3ccccc3s2)C[C@H]1C[NH3+] ZINC000415124431 393150307 /nfs/dbraw/zinc/15/03/07/393150307.db2.gz KFCPDGOWVAIWSX-GXTWGEPZSA-N 1 3 274.433 3.318 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415132422 393155196 /nfs/dbraw/zinc/15/51/96/393155196.db2.gz UEJUXZDLZGIBBZ-ZMSDIMECSA-N 1 3 260.425 3.097 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415132422 393155205 /nfs/dbraw/zinc/15/52/05/393155205.db2.gz UEJUXZDLZGIBBZ-ZMSDIMECSA-N 1 3 260.425 3.097 20 0 CGADHO CCCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000648771607 393245315 /nfs/dbraw/zinc/24/53/15/393245315.db2.gz NTUBXTJEQAXBLC-AYHJJNSGSA-N 1 3 272.436 3.354 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000277305589 393308469 /nfs/dbraw/zinc/30/84/69/393308469.db2.gz UJLFENLQMCEMHN-DOTOQJQBSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccccc1 ZINC000277305589 393308473 /nfs/dbraw/zinc/30/84/73/393308473.db2.gz UJLFENLQMCEMHN-DOTOQJQBSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@@H](CN1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277305589 393308480 /nfs/dbraw/zinc/30/84/80/393308480.db2.gz UJLFENLQMCEMHN-DOTOQJQBSA-N 1 3 260.425 3.206 20 0 CGADHO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000356233643 393391280 /nfs/dbraw/zinc/39/12/80/393391280.db2.gz RMHAGYSOZPSAFX-NVXWUHKLSA-N 1 3 294.483 3.021 20 0 CGADHO CCc1nc(C)c([C@@H](C)N(C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420316799 393463770 /nfs/dbraw/zinc/46/37/70/393463770.db2.gz MJOFPHIOCWGNGZ-CHWSQXEVSA-N 1 3 281.469 3.006 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323637 393465105 /nfs/dbraw/zinc/46/51/05/393465105.db2.gz GMYGBVUKTGUSQY-HZSPNIEDSA-N 1 3 294.389 3.347 20 0 CGADHO C(CC1CCCC1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356441 393472868 /nfs/dbraw/zinc/47/28/68/393472868.db2.gz CXRAVLOEPHWPFH-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)CCN1CCCCCC1 ZINC000488548322 393537377 /nfs/dbraw/zinc/53/73/77/393537377.db2.gz UGUYBTVHVPMQCZ-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCCNCC2)c1 ZINC000666858011 542821699 /nfs/dbraw/zinc/82/16/99/542821699.db2.gz STXMODUVLNOLJD-NVXWUHKLSA-N 1 3 260.425 3.048 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC(C[NH3+])CC1 ZINC000430638220 393582814 /nfs/dbraw/zinc/58/28/14/393582814.db2.gz DYUQFQBKEAAUAF-HNNXBMFYSA-N 1 3 268.351 3.087 20 0 CGADHO Cc1cccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414454 393610622 /nfs/dbraw/zinc/61/06/22/393610622.db2.gz KTEWITBHUBRWBC-DLBZAZTESA-N 1 3 290.451 3.147 20 0 CGADHO Cc1cccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414454 393610628 /nfs/dbraw/zinc/61/06/28/393610628.db2.gz KTEWITBHUBRWBC-DLBZAZTESA-N 1 3 290.451 3.147 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1c(Cl)cccc1Cl ZINC000422729769 393641040 /nfs/dbraw/zinc/64/10/40/393641040.db2.gz CGPFXFAXYFZPME-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1c(Cl)cccc1Cl ZINC000422729769 393641044 /nfs/dbraw/zinc/64/10/44/393641044.db2.gz CGPFXFAXYFZPME-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422816290 393643713 /nfs/dbraw/zinc/64/37/13/393643713.db2.gz DYLZXVLKTSLGBR-CRWXNKLISA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422816290 393643719 /nfs/dbraw/zinc/64/37/19/393643719.db2.gz DYLZXVLKTSLGBR-CRWXNKLISA-N 1 3 292.389 3.475 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422808071 393644776 /nfs/dbraw/zinc/64/47/76/393644776.db2.gz QBHFOWMQLPZWDM-KYJSFNMBSA-N 1 3 272.436 3.084 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000423152456 393651712 /nfs/dbraw/zinc/65/17/12/393651712.db2.gz FCQCFPQUOLBWBU-MLHJIOFPSA-N 1 3 272.436 3.287 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423273749 393657446 /nfs/dbraw/zinc/65/74/46/393657446.db2.gz KZXVCVUGGYMGKX-HFBAOOFYSA-N 1 3 264.388 3.022 20 0 CGADHO CC(C)c1ccc2c(c1)[C@H](NC[C@H]1CC[NH2+]C1)CCC2 ZINC000423333579 393662531 /nfs/dbraw/zinc/66/25/31/393662531.db2.gz HUUSBSOSDQWBQO-KBXCAEBGSA-N 1 3 272.436 3.387 20 0 CGADHO CC[NH2+][C@H](C)CN[C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423384104 393665477 /nfs/dbraw/zinc/66/54/77/393665477.db2.gz PYCQKOSLQBLKLP-OKZRHMCRSA-N 1 3 280.378 3.331 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(OC(F)(F)F)cc1 ZINC000423468545 393669417 /nfs/dbraw/zinc/66/94/17/393669417.db2.gz OMFJPPRDLAATMC-KWBADKCTSA-N 1 3 290.329 3.362 20 0 CGADHO Clc1scc(CN[C@@H]2CC23CC[NH2+]CC3)c1Cl ZINC000666953519 542828554 /nfs/dbraw/zinc/82/85/54/542828554.db2.gz ANQVDGOFEOAJEY-SECBINFHSA-N 1 3 291.247 3.287 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1ccc(F)cc1 ZINC000499066811 393790482 /nfs/dbraw/zinc/79/04/82/393790482.db2.gz DMCLVPRLHDNVAG-KRWDZBQOSA-N 1 3 278.415 3.174 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1ccc(F)cc1 ZINC000499066811 393790486 /nfs/dbraw/zinc/79/04/86/393790486.db2.gz DMCLVPRLHDNVAG-KRWDZBQOSA-N 1 3 278.415 3.174 20 0 CGADHO COCC[C@H]1CCC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000502697695 393883292 /nfs/dbraw/zinc/88/32/92/393883292.db2.gz PYLPCOBOEZEQSB-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000502854642 393885609 /nfs/dbraw/zinc/88/56/09/393885609.db2.gz DSTAPUUMPODRFL-INIZCTEOSA-N 1 3 280.843 3.299 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000502854642 393885614 /nfs/dbraw/zinc/88/56/14/393885614.db2.gz DSTAPUUMPODRFL-INIZCTEOSA-N 1 3 280.843 3.299 20 0 CGADHO CC[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H](C)O ZINC000449538040 393888217 /nfs/dbraw/zinc/88/82/17/393888217.db2.gz GUPSLFABTVTSOO-GOEBONIOSA-N 1 3 298.515 3.415 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1)[C@H](C)O ZINC000449538040 393888218 /nfs/dbraw/zinc/88/82/18/393888218.db2.gz GUPSLFABTVTSOO-GOEBONIOSA-N 1 3 298.515 3.415 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@@H](C)C2 ZINC000449560460 393903655 /nfs/dbraw/zinc/90/36/55/393903655.db2.gz LLGKWWVZCIFVSV-CLKVLLEYSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@@H](C)C2 ZINC000449560460 393903657 /nfs/dbraw/zinc/90/36/57/393903657.db2.gz LLGKWWVZCIFVSV-CLKVLLEYSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@H](C)C2 ZINC000449560461 393903780 /nfs/dbraw/zinc/90/37/80/393903780.db2.gz LLGKWWVZCIFVSV-FZVJDINQSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@H](C)C2 ZINC000449560461 393903782 /nfs/dbraw/zinc/90/37/82/393903782.db2.gz LLGKWWVZCIFVSV-FZVJDINQSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@H](C)C1 ZINC000666995102 542832407 /nfs/dbraw/zinc/83/24/07/542832407.db2.gz DIKVCNUJNAELRY-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO c1ccc(C2CC2)c(C[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000666996690 542834223 /nfs/dbraw/zinc/83/42/23/542834223.db2.gz AFSTUNKGTIKEKF-INIZCTEOSA-N 1 3 270.420 3.328 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555346 394016905 /nfs/dbraw/zinc/01/69/05/394016905.db2.gz AQXQUBODERRPOP-GDBMZVCRSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CC2=CCCCC2)[C@H](C)C1 ZINC000450555346 394016910 /nfs/dbraw/zinc/01/69/10/394016910.db2.gz AQXQUBODERRPOP-GDBMZVCRSA-N 1 3 250.430 3.149 20 0 CGADHO CCc1cc(N(C)CCCN(C)Cc2ccco2)cc[nH+]1 ZINC000450534748 394012067 /nfs/dbraw/zinc/01/20/67/394012067.db2.gz HTWASCYCXQKWJD-UHFFFAOYSA-N 1 3 287.407 3.195 20 0 CGADHO C[C@H]1C[C@@H](NCCCCC[NH+]2CCCCC2)c2nccn21 ZINC000453126185 394180525 /nfs/dbraw/zinc/18/05/25/394180525.db2.gz RTWBBEKGVITPPZ-JKSUJKDBSA-N 1 3 290.455 3.135 20 0 CGADHO Cc1cc([C@@H](C)NCCCC[N@H+](C)C2CC2)oc1C ZINC000453413885 394239021 /nfs/dbraw/zinc/23/90/21/394239021.db2.gz WQLKWZCVEXNHBB-CYBMUJFWSA-N 1 3 264.413 3.421 20 0 CGADHO Cc1cc([C@@H](C)NCCCC[N@@H+](C)C2CC2)oc1C ZINC000453413885 394239023 /nfs/dbraw/zinc/23/90/23/394239023.db2.gz WQLKWZCVEXNHBB-CYBMUJFWSA-N 1 3 264.413 3.421 20 0 CGADHO CC1=C[C@H](C)C[C@H](CN2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000668785436 543061293 /nfs/dbraw/zinc/06/12/93/543061293.db2.gz QCSLFQGFCNYTFE-SZMVWBNQSA-N 1 3 294.483 3.021 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C(C)C)cc1 ZINC000423372923 292110562 /nfs/dbraw/zinc/11/05/62/292110562.db2.gz HKMONQOWIOFBBZ-KSZLIROESA-N 1 3 274.452 3.422 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000211088299 397666534 /nfs/dbraw/zinc/66/65/34/397666534.db2.gz VIKOJLNRJNIREZ-FRFSOERESA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000211088299 397666536 /nfs/dbraw/zinc/66/65/36/397666536.db2.gz VIKOJLNRJNIREZ-FRFSOERESA-N 1 3 258.409 3.055 20 0 CGADHO CC(C)(C)CCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000302318637 397676442 /nfs/dbraw/zinc/67/64/42/397676442.db2.gz QDZQAYQDHFMLLG-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)C[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000575452525 397713175 /nfs/dbraw/zinc/71/31/75/397713175.db2.gz GVAXBXSOSBVRFM-HNNXBMFYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)C[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000575452525 397713176 /nfs/dbraw/zinc/71/31/76/397713176.db2.gz GVAXBXSOSBVRFM-HNNXBMFYSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)[C@@H]1CC[NH3+] ZINC000650711416 397898977 /nfs/dbraw/zinc/89/89/77/397898977.db2.gz SYZMGEZVLMPKMS-WMLDXEAASA-N 1 3 298.434 3.026 20 0 CGADHO Cc1cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc2cccnc12 ZINC000650711119 397899220 /nfs/dbraw/zinc/89/92/20/397899220.db2.gz JFIOAQBRTHPYIJ-KSSFIOAISA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CCN)cc2cccnc12 ZINC000650711119 397899223 /nfs/dbraw/zinc/89/92/23/397899223.db2.gz JFIOAQBRTHPYIJ-KSSFIOAISA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)cc2cccnc12 ZINC000650711119 397899225 /nfs/dbraw/zinc/89/92/25/397899225.db2.gz JFIOAQBRTHPYIJ-KSSFIOAISA-N 1 3 297.446 3.493 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(OC(C)C)cc1 ZINC000650718757 397901565 /nfs/dbraw/zinc/90/15/65/397901565.db2.gz WKCQRJOWKAAILQ-UHFFFAOYSA-N 1 3 298.430 3.483 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCCC1CC[NH2+]CC1 ZINC000650764409 397913464 /nfs/dbraw/zinc/91/34/64/397913464.db2.gz XUAINFHEXPQIEI-GFCCVEGCSA-N 1 3 296.842 3.389 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677238059 543440425 /nfs/dbraw/zinc/44/04/25/543440425.db2.gz VSSIZTMYRVSHOQ-ROUUACIJSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677238059 543440426 /nfs/dbraw/zinc/44/04/26/543440426.db2.gz VSSIZTMYRVSHOQ-ROUUACIJSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(C)C)CC2)c(C)n1 ZINC000678411226 543520639 /nfs/dbraw/zinc/52/06/39/543520639.db2.gz JDMHHPZLTKRFDE-INIZCTEOSA-N 1 3 289.467 3.469 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000678766267 543554227 /nfs/dbraw/zinc/55/42/27/543554227.db2.gz NKRSWEAAGGKLRU-ZRGWGRIASA-N 1 3 284.447 3.384 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000678766267 543554229 /nfs/dbraw/zinc/55/42/29/543554229.db2.gz NKRSWEAAGGKLRU-ZRGWGRIASA-N 1 3 284.447 3.384 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000432423798 299785514 /nfs/dbraw/zinc/78/55/14/299785514.db2.gz LCYCJHBHILTCQA-CIRFHOKZSA-N 1 3 294.483 3.044 20 0 CGADHO CSc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093212216 286729253 /nfs/dbraw/zinc/72/92/53/286729253.db2.gz GGXUGXYDTGTVSD-UBHSHLNASA-N 1 3 264.438 3.329 20 0 CGADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347932298 287021656 /nfs/dbraw/zinc/02/16/56/287021656.db2.gz MAIVDXFOSMZIFX-UKRRQHHQSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000358466077 287047301 /nfs/dbraw/zinc/04/73/01/287047301.db2.gz ILSZPVLWCSZLHY-ZMSDIMECSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@H]1CCCN(C2CCC2)C1 ZINC000358468363 287050266 /nfs/dbraw/zinc/05/02/66/287050266.db2.gz NFUMJABGLCCTJY-LTIDMASMSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000422795155 287061031 /nfs/dbraw/zinc/06/10/31/287061031.db2.gz ZRFUESOTZPOKGO-NWANDNLSSA-N 1 3 275.440 3.468 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081567848 287074482 /nfs/dbraw/zinc/07/44/82/287074482.db2.gz QGADSMWUPGBTRA-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000081567848 287074484 /nfs/dbraw/zinc/07/44/84/287074484.db2.gz QGADSMWUPGBTRA-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO COCc1ccc(C[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000088567116 165196915 /nfs/dbraw/zinc/19/69/15/165196915.db2.gz WUJJZSDTCFLNKH-UHFFFAOYSA-N 1 3 290.451 3.045 20 0 CGADHO CCC[NH+]1CCC(NC[C@@H]2CSc3ccccc32)CC1 ZINC000092275206 165291355 /nfs/dbraw/zinc/29/13/55/165291355.db2.gz PEHJUYVCKOAFEU-CQSZACIVSA-N 1 3 290.476 3.340 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)C1 ZINC000092801818 287113645 /nfs/dbraw/zinc/11/36/45/287113645.db2.gz MSNQLKFUAQWSJW-YYIAUSFCSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)C1 ZINC000092801818 287113646 /nfs/dbraw/zinc/11/36/46/287113646.db2.gz MSNQLKFUAQWSJW-YYIAUSFCSA-N 1 3 264.457 3.229 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000020189417 171055627 /nfs/dbraw/zinc/05/56/27/171055627.db2.gz OFXLRVGMNLBVCE-UHFFFAOYSA-N 1 3 272.392 3.395 20 0 CGADHO Cc1ccc(C[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000021816516 171332499 /nfs/dbraw/zinc/33/24/99/171332499.db2.gz HBIGYVZKEYLTFB-UHFFFAOYSA-N 1 3 260.425 3.207 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000249263334 287273259 /nfs/dbraw/zinc/27/32/59/287273259.db2.gz IEYNORSTSORSEM-KZNAEPCWSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000249263334 287273262 /nfs/dbraw/zinc/27/32/62/287273262.db2.gz IEYNORSTSORSEM-KZNAEPCWSA-N 1 3 294.483 3.142 20 0 CGADHO CCN(Cc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC000037538846 173259226 /nfs/dbraw/zinc/25/92/26/173259226.db2.gz WSAREDAKKXSIIT-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC[N@H+](Cc1ccc(C(C)C)cc1)C1CCNCC1 ZINC000037538846 173259228 /nfs/dbraw/zinc/25/92/28/173259228.db2.gz WSAREDAKKXSIIT-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CC[N@@H+](Cc1ccc(C(C)C)cc1)C1CCNCC1 ZINC000037538846 173259229 /nfs/dbraw/zinc/25/92/29/173259229.db2.gz WSAREDAKKXSIIT-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO c1ccc(C2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000038040895 174040962 /nfs/dbraw/zinc/04/09/62/174040962.db2.gz HTMCXELOVSEMIS-UHFFFAOYSA-N 1 3 258.409 3.054 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC000040591733 174347223 /nfs/dbraw/zinc/34/72/23/174347223.db2.gz QYWGBGZLCSHJRT-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000043533980 175062763 /nfs/dbraw/zinc/06/27/63/175062763.db2.gz ANUWTPZFQAGCAC-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)CN1CCCCC1 ZINC000070938951 176013559 /nfs/dbraw/zinc/01/35/59/176013559.db2.gz FWTWPLTZJRHYAL-HNNXBMFYSA-N 1 3 285.435 3.380 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000314634713 416537026 /nfs/dbraw/zinc/53/70/26/416537026.db2.gz UERBBYGDKCXGPY-KSSFIOAISA-N 1 3 284.403 3.302 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000314634713 416537031 /nfs/dbraw/zinc/53/70/31/416537031.db2.gz UERBBYGDKCXGPY-KSSFIOAISA-N 1 3 284.403 3.302 20 0 CGADHO C[C@H]1CCCN(Cc2cc3ccccc3o2)[C@H]1CC[NH3+] ZINC000404283305 416553159 /nfs/dbraw/zinc/55/31/59/416553159.db2.gz QVBBOVJWWXKUNR-BBRMVZONSA-N 1 3 272.392 3.382 20 0 CGADHO C[C@@H]1CCCN(C/C=C/c2ccccc2)[C@@H]1CC[NH3+] ZINC000404395413 416555650 /nfs/dbraw/zinc/55/56/50/416555650.db2.gz OFFQBWJDFHFRPD-COXPPRJISA-N 1 3 258.409 3.149 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000680352966 543702902 /nfs/dbraw/zinc/70/29/02/543702902.db2.gz WJYSBHCOFKTXJH-UHOSZYNNSA-N 1 3 284.447 3.429 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682076085 543821605 /nfs/dbraw/zinc/82/16/05/543821605.db2.gz STMIXJPGFLKIRZ-LPHOPBHVSA-N 1 3 284.447 3.338 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC000682076085 543821609 /nfs/dbraw/zinc/82/16/09/543821609.db2.gz STMIXJPGFLKIRZ-LPHOPBHVSA-N 1 3 284.447 3.338 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000683816155 543944519 /nfs/dbraw/zinc/94/45/19/543944519.db2.gz LMNZSMIEDKPYII-NUJGCVRESA-N 1 3 290.451 3.084 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000683816155 543944520 /nfs/dbraw/zinc/94/45/20/543944520.db2.gz LMNZSMIEDKPYII-NUJGCVRESA-N 1 3 290.451 3.084 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462827 544075826 /nfs/dbraw/zinc/07/58/26/544075826.db2.gz NWCUSFDJZZBNCH-ZBFHGGJFSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462827 544075828 /nfs/dbraw/zinc/07/58/28/544075828.db2.gz NWCUSFDJZZBNCH-ZBFHGGJFSA-N 1 3 266.473 3.332 20 0 CGADHO CC[C@H](OCC[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000650741593 418936033 /nfs/dbraw/zinc/93/60/33/418936033.db2.gz GYWYFVHMNOEQFX-BZSNNMDCSA-N 1 3 290.451 3.261 20 0 CGADHO CC[C@H](OCCN[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000650741593 418936036 /nfs/dbraw/zinc/93/60/36/418936036.db2.gz GYWYFVHMNOEQFX-BZSNNMDCSA-N 1 3 290.451 3.261 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653564142 419050590 /nfs/dbraw/zinc/05/05/90/419050590.db2.gz RGFBFNCQEQVRPY-HNNXBMFYSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653564142 419050593 /nfs/dbraw/zinc/05/05/93/419050593.db2.gz RGFBFNCQEQVRPY-HNNXBMFYSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956680 419045466 /nfs/dbraw/zinc/04/54/66/419045466.db2.gz LPFGIWPLXBFXHK-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659956680 419045470 /nfs/dbraw/zinc/04/54/70/419045470.db2.gz LPFGIWPLXBFXHK-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000659956680 419045472 /nfs/dbraw/zinc/04/54/72/419045472.db2.gz LPFGIWPLXBFXHK-LSDHHAIUSA-N 1 3 288.426 3.476 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655734639 419082137 /nfs/dbraw/zinc/08/21/37/419082137.db2.gz LHKSAEYIDKWWJF-XHSDSOJGSA-N 1 3 284.513 3.228 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237591 419088360 /nfs/dbraw/zinc/08/83/60/419088360.db2.gz FGDUAZMTIUQHFA-CABCVRRESA-N 1 3 258.365 3.182 20 0 CGADHO Cc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1C ZINC000665246559 419090112 /nfs/dbraw/zinc/09/01/12/419090112.db2.gz IUFRNSGBCOURBE-OAHLLOKOSA-N 1 3 297.446 3.359 20 0 CGADHO COc1ccc([C@@H]([NH2+]CC2(N)CCCC2)C(C)C)cc1 ZINC000665248347 419091791 /nfs/dbraw/zinc/09/17/91/419091791.db2.gz VKGRMOAISRCKKR-INIZCTEOSA-N 1 3 276.424 3.253 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000665279950 419101035 /nfs/dbraw/zinc/10/10/35/419101035.db2.gz PZWMDDNWQBXTJE-BXUZGUMPSA-N 1 3 286.366 3.312 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCC[C@@H]([NH3+])C(C)C ZINC000665281847 419102501 /nfs/dbraw/zinc/10/25/01/419102501.db2.gz LRBGCTPPRQUALO-SJORKVTESA-N 1 3 290.451 3.381 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000665281472 419102661 /nfs/dbraw/zinc/10/26/61/419102661.db2.gz DOGCJYKCSLXAHR-OKDNKWQNSA-N 1 3 290.451 3.150 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281472 419102664 /nfs/dbraw/zinc/10/26/64/419102664.db2.gz DOGCJYKCSLXAHR-OKDNKWQNSA-N 1 3 290.451 3.150 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCc2c1cccc2Cl ZINC000665281290 419102732 /nfs/dbraw/zinc/10/27/32/419102732.db2.gz ZFNSTRHFYFUAME-CABCVRRESA-N 1 3 266.816 3.290 20 0 CGADHO C[C@H]([NH2+]CC1CC=CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660255414 419115079 /nfs/dbraw/zinc/11/50/79/419115079.db2.gz BUBLOYUXUYLGGN-GOEBONIOSA-N 1 3 262.441 3.195 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660257990 419115174 /nfs/dbraw/zinc/11/51/74/419115174.db2.gz YKODKROVENADNQ-SIRPWMCASA-N 1 3 276.468 3.275 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655682407 419063704 /nfs/dbraw/zinc/06/37/04/419063704.db2.gz DVCBKBFMURWTSD-QGZVFWFLSA-N 1 3 272.436 3.365 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694245 419067277 /nfs/dbraw/zinc/06/72/77/419067277.db2.gz FCZPFBFYLHIKEX-DOTOQJQBSA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694245 419067280 /nfs/dbraw/zinc/06/72/80/419067280.db2.gz FCZPFBFYLHIKEX-DOTOQJQBSA-N 1 3 272.436 3.222 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCc3cc(C)cc(C)c32)C1 ZINC000655694245 419067282 /nfs/dbraw/zinc/06/72/82/419067282.db2.gz FCZPFBFYLHIKEX-DOTOQJQBSA-N 1 3 272.436 3.222 20 0 CGADHO COc1ccc(C(C)C)cc1CN1CCC[C@H](CC[NH3+])C1 ZINC000655940157 419129564 /nfs/dbraw/zinc/12/95/64/419129564.db2.gz XBPQDXODCTVWKU-OAHLLOKOSA-N 1 3 290.451 3.379 20 0 CGADHO CO[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000660542540 419159007 /nfs/dbraw/zinc/15/90/07/419159007.db2.gz SZGRNTOFKAPXJT-WFFDWFOESA-N 1 3 294.483 3.139 20 0 CGADHO CO[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000660542540 419159009 /nfs/dbraw/zinc/15/90/09/419159009.db2.gz SZGRNTOFKAPXJT-WFFDWFOESA-N 1 3 294.483 3.139 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662430 419179948 /nfs/dbraw/zinc/17/99/48/419179948.db2.gz KDKMVVDCDSZGLG-UKRRQHHQSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662430 419179949 /nfs/dbraw/zinc/17/99/49/419179949.db2.gz KDKMVVDCDSZGLG-UKRRQHHQSA-N 1 3 274.399 3.086 20 0 CGADHO COCc1csc(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000657348356 419256770 /nfs/dbraw/zinc/25/67/70/419256770.db2.gz SSHIKWHBYRGYSO-AWEZNQCLSA-N 1 3 296.480 3.105 20 0 CGADHO CC(CN1C[C@@H]2CCCC[C@@H]21)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932871 419216579 /nfs/dbraw/zinc/21/65/79/419216579.db2.gz FMVXDVCADXZUQK-XSLAGTTESA-N 1 3 276.468 3.371 20 0 CGADHO CC(CN1C[C@@H]2CCCC[C@@H]21)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660932871 419216580 /nfs/dbraw/zinc/21/65/80/419216580.db2.gz FMVXDVCADXZUQK-XSLAGTTESA-N 1 3 276.468 3.371 20 0 CGADHO Fc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000656785576 419219489 /nfs/dbraw/zinc/21/94/89/419219489.db2.gz MHKLHDFUPLQSPQ-HNNXBMFYSA-N 1 3 294.389 3.176 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000656790630 419220421 /nfs/dbraw/zinc/22/04/21/419220421.db2.gz FMRUUYQZGZMWIM-BRSBDYLESA-N 1 3 270.420 3.184 20 0 CGADHO CC(C)[C@@H](CNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656789746 419220931 /nfs/dbraw/zinc/22/09/31/419220931.db2.gz WVFCJATZXPLEOP-MRXNPFEDSA-N 1 3 260.425 3.287 20 0 CGADHO CSc1ccccc1C[C@@H](C)NCC1([NH3+])CCCC1 ZINC000656789325 419221395 /nfs/dbraw/zinc/22/13/95/419221395.db2.gz MVQWVIZBPIICDS-CYBMUJFWSA-N 1 3 278.465 3.201 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)c(C)c1 ZINC000657471802 419286564 /nfs/dbraw/zinc/28/65/64/419286564.db2.gz ILLMLBIEPXFZTN-CQSZACIVSA-N 1 3 278.440 3.071 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000657590234 419311404 /nfs/dbraw/zinc/31/14/04/419311404.db2.gz YHGDYALTTMLQLS-HMDCTGQHSA-N 1 3 264.457 3.275 20 0 CGADHO CC[N@H+](CCCN)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318635 419389972 /nfs/dbraw/zinc/38/99/72/419389972.db2.gz CWKKJNJMUPTNCZ-LBPRGKRZSA-N 1 3 288.357 3.307 20 0 CGADHO CC[N@@H+](CCCN)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318635 419389978 /nfs/dbraw/zinc/38/99/78/419389978.db2.gz CWKKJNJMUPTNCZ-LBPRGKRZSA-N 1 3 288.357 3.307 20 0 CGADHO CCN(CCC[NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318635 419389986 /nfs/dbraw/zinc/38/99/86/419389986.db2.gz CWKKJNJMUPTNCZ-LBPRGKRZSA-N 1 3 288.357 3.307 20 0 CGADHO CCc1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000657813639 419365887 /nfs/dbraw/zinc/36/58/87/419365887.db2.gz VWWLPIBCFRCANK-UHFFFAOYSA-N 1 3 276.424 3.054 20 0 CGADHO C[NH2+]C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000662247116 419372741 /nfs/dbraw/zinc/37/27/41/419372741.db2.gz ZHHGOEGXERNKDK-NVXWUHKLSA-N 1 3 272.436 3.254 20 0 CGADHO CNC1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000662247116 419372748 /nfs/dbraw/zinc/37/27/48/419372748.db2.gz ZHHGOEGXERNKDK-NVXWUHKLSA-N 1 3 272.436 3.254 20 0 CGADHO CCOC1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000657825979 419373993 /nfs/dbraw/zinc/37/39/93/419373993.db2.gz PQHQZSQALDGRAR-UHFFFAOYSA-N 1 3 282.472 3.233 20 0 CGADHO CC(C)(C)c1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000662266912 419375371 /nfs/dbraw/zinc/37/53/71/419375371.db2.gz QPUDZFBMQDIUNV-UAGQMJEPSA-N 1 3 272.436 3.153 20 0 CGADHO CCOC1CCC([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000657839700 419381423 /nfs/dbraw/zinc/38/14/23/419381423.db2.gz ZGWXXILOYUIEDH-VYMRPNJYSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)c1cccc(C[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000662278647 419381512 /nfs/dbraw/zinc/38/15/12/419381512.db2.gz ZXDFCEXWJOSSIC-INIZCTEOSA-N 1 3 274.452 3.462 20 0 CGADHO CC(C)C[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663345244 419568506 /nfs/dbraw/zinc/56/85/06/419568506.db2.gz HGNLBWZTNIOKQI-GOEBONIOSA-N 1 3 252.446 3.133 20 0 CGADHO c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)C2 ZINC000663346626 419566197 /nfs/dbraw/zinc/56/61/97/419566197.db2.gz BHHZXVCNXQZKDO-XLIONFOSSA-N 1 3 298.474 3.256 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663347884 419566952 /nfs/dbraw/zinc/56/69/52/419566952.db2.gz ZECBHVLKFSQIHO-PVAVHDDUSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000663502655 419635338 /nfs/dbraw/zinc/63/53/38/419635338.db2.gz JNHFOZRSNZDXJQ-BBWFWOEESA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@H]1c1ccccc1 ZINC000663502655 419635346 /nfs/dbraw/zinc/63/53/46/419635346.db2.gz JNHFOZRSNZDXJQ-BBWFWOEESA-N 1 3 260.425 3.286 20 0 CGADHO CC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663347849 419569754 /nfs/dbraw/zinc/56/97/54/419569754.db2.gz XTRGRIDHFRVADC-WIHSUSGWSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@H]2C1)CC(F)(F)F ZINC000663356271 419577479 /nfs/dbraw/zinc/57/74/79/419577479.db2.gz HSLDEMONDOHYFQ-RYUDHWBXSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000663356271 419577487 /nfs/dbraw/zinc/57/74/87/419577487.db2.gz HSLDEMONDOHYFQ-RYUDHWBXSA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000663356271 419577495 /nfs/dbraw/zinc/57/74/95/419577495.db2.gz HSLDEMONDOHYFQ-RYUDHWBXSA-N 1 3 278.362 3.181 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464593 419614871 /nfs/dbraw/zinc/61/48/71/419614871.db2.gz DUAXBNHIZMBRFO-IAGOWNOFSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464593 419614879 /nfs/dbraw/zinc/61/48/79/419614879.db2.gz DUAXBNHIZMBRFO-IAGOWNOFSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464593 419614887 /nfs/dbraw/zinc/61/48/87/419614887.db2.gz DUAXBNHIZMBRFO-IAGOWNOFSA-N 1 3 296.499 3.149 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468213 419619969 /nfs/dbraw/zinc/61/99/69/419619969.db2.gz KJRCGFOUNOLVME-BRWVUGGUSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@@H]1C ZINC000663466379 419621366 /nfs/dbraw/zinc/62/13/66/419621366.db2.gz RYKKIRQBCYCZCE-LLLHUVSDSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](NCCc1ccoc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658202413 419656301 /nfs/dbraw/zinc/65/63/01/419656301.db2.gz TYYJPEHZOZYYLE-APWZRJJASA-N 1 3 298.430 3.322 20 0 CGADHO C[C@@H](NCCc1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202413 419656309 /nfs/dbraw/zinc/65/63/09/419656309.db2.gz TYYJPEHZOZYYLE-APWZRJJASA-N 1 3 298.430 3.322 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCc2ccccc21 ZINC000422732867 287620212 /nfs/dbraw/zinc/62/02/12/287620212.db2.gz PQEBVLWLIVJZPL-XOKHGSTOSA-N 1 3 258.409 3.042 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)c(C)c1 ZINC000020547404 262288888 /nfs/dbraw/zinc/28/88/88/262288888.db2.gz JVYSYSGEKSLZRQ-MRXNPFEDSA-N 1 3 260.425 3.440 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000222074395 262331142 /nfs/dbraw/zinc/33/11/42/262331142.db2.gz PAIOEXPHFZXEFU-WMLDXEAASA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000222074395 262331144 /nfs/dbraw/zinc/33/11/44/262331144.db2.gz PAIOEXPHFZXEFU-WMLDXEAASA-N 1 3 260.425 3.240 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C)cc2)C1 ZINC000044535727 270036365 /nfs/dbraw/zinc/03/63/65/270036365.db2.gz WSRBGIFETBENFK-INIZCTEOSA-N 1 3 274.452 3.416 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C)cc2)C1 ZINC000044535727 270036367 /nfs/dbraw/zinc/03/63/67/270036367.db2.gz WSRBGIFETBENFK-INIZCTEOSA-N 1 3 274.452 3.416 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534788 270036382 /nfs/dbraw/zinc/03/63/82/270036382.db2.gz JCJGFEBQUXROGV-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534788 270036383 /nfs/dbraw/zinc/03/63/83/270036383.db2.gz JCJGFEBQUXROGV-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCC1CC1)N1CCCCC1 ZINC000186502390 270066071 /nfs/dbraw/zinc/06/60/71/270066071.db2.gz DNFFAGTZDVMDII-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC2(F)CC2)CC1 ZINC000527219181 270127068 /nfs/dbraw/zinc/12/70/68/270127068.db2.gz NXFJCWNKYKXHHJ-HNNXBMFYSA-N 1 3 282.447 3.465 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CC2(F)CC2)CC1 ZINC000527219181 270127069 /nfs/dbraw/zinc/12/70/69/270127069.db2.gz NXFJCWNKYKXHHJ-HNNXBMFYSA-N 1 3 282.447 3.465 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000527637694 270130191 /nfs/dbraw/zinc/13/01/91/270130191.db2.gz KXAQZZFPYZAKOL-QWHCGFSZSA-N 1 3 274.399 3.274 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527637694 270130192 /nfs/dbraw/zinc/13/01/92/270130192.db2.gz KXAQZZFPYZAKOL-QWHCGFSZSA-N 1 3 274.399 3.274 20 0 CGADHO CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000527730163 270132969 /nfs/dbraw/zinc/13/29/69/270132969.db2.gz RFKDTRDNLHDFHZ-PMPSAXMXSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527730163 270132970 /nfs/dbraw/zinc/13/29/70/270132970.db2.gz RFKDTRDNLHDFHZ-PMPSAXMXSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[C@@H]1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527730163 270132971 /nfs/dbraw/zinc/13/29/71/270132971.db2.gz RFKDTRDNLHDFHZ-PMPSAXMXSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1CC12CC2 ZINC000527844090 270139125 /nfs/dbraw/zinc/13/91/25/270139125.db2.gz FLZPRKWWGLQFPC-WCQYABFASA-N 1 3 250.430 3.074 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H]1CC12CC2 ZINC000527845290 270139190 /nfs/dbraw/zinc/13/91/90/270139190.db2.gz IHKVNACTGITESS-CZUORRHYSA-N 1 3 258.409 3.026 20 0 CGADHO CCC[C@H](CNC1CC[NH+](C(C)(C)C)CC1)OCC ZINC000527927754 270144683 /nfs/dbraw/zinc/14/46/83/270144683.db2.gz DGHCVBBNRBWLNN-OAHLLOKOSA-N 1 3 270.461 3.044 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528393265 270163761 /nfs/dbraw/zinc/16/37/61/270163761.db2.gz FOTWIRVVTAZPQA-HNNXBMFYSA-N 1 3 264.457 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528393265 270163762 /nfs/dbraw/zinc/16/37/62/270163762.db2.gz FOTWIRVVTAZPQA-HNNXBMFYSA-N 1 3 264.457 3.086 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528393265 270163763 /nfs/dbraw/zinc/16/37/63/270163763.db2.gz FOTWIRVVTAZPQA-HNNXBMFYSA-N 1 3 264.457 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528393265 270163764 /nfs/dbraw/zinc/16/37/64/270163764.db2.gz FOTWIRVVTAZPQA-HNNXBMFYSA-N 1 3 264.457 3.086 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529552896 270184271 /nfs/dbraw/zinc/18/42/71/270184271.db2.gz CAPTVOWYKYKEKP-MRXNPFEDSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529552896 270184272 /nfs/dbraw/zinc/18/42/72/270184272.db2.gz CAPTVOWYKYKEKP-MRXNPFEDSA-N 1 3 271.408 3.084 20 0 CGADHO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCCCC1 ZINC000530216190 270195757 /nfs/dbraw/zinc/19/57/57/270195757.db2.gz NRKHDTGTEKQOCN-HIFRSBDPSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCCCCC1 ZINC000530216190 270195758 /nfs/dbraw/zinc/19/57/58/270195758.db2.gz NRKHDTGTEKQOCN-HIFRSBDPSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cccc([C@H](N[C@@H]2CCC[NH2+]CC2)C(C)C)c1 ZINC000530220034 270196063 /nfs/dbraw/zinc/19/60/63/270196063.db2.gz BCZSLXRGQHSYIF-IAGOWNOFSA-N 1 3 260.425 3.424 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000531955315 270211284 /nfs/dbraw/zinc/21/12/84/270211284.db2.gz ZZANTOXZEJWKAJ-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391083 287685530 /nfs/dbraw/zinc/68/55/30/287685530.db2.gz PFSSDMSVJFVMGN-XNJGSVPQSA-N 1 3 258.409 3.204 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H](C)CC[NH+](C)C)CCC2 ZINC000092383840 274137453 /nfs/dbraw/zinc/13/74/53/274137453.db2.gz OCDQFKHWWSBHMT-SUMWQHHRSA-N 1 3 276.424 3.002 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000423150000 274305856 /nfs/dbraw/zinc/30/58/56/274305856.db2.gz YJLTWDLSYNDTAG-OAUYIBNBSA-N 1 3 276.399 3.181 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]C[C@H]2CCCNC2)C(C)C)cc1 ZINC000423210562 274744061 /nfs/dbraw/zinc/74/40/61/274744061.db2.gz JWORYLVGUUDPHU-ROUUACIJSA-N 1 3 274.452 3.151 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000423401222 274956971 /nfs/dbraw/zinc/95/69/71/274956971.db2.gz VWXPHUINMFMXHA-NFAWXSAZSA-N 1 3 264.800 3.187 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)Cc1ccccc1 ZINC000249436236 287814300 /nfs/dbraw/zinc/81/43/00/287814300.db2.gz KYZWLMAXETZUBR-RYQLBKOJSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422880509 275741191 /nfs/dbraw/zinc/74/11/91/275741191.db2.gz OCJWBCAEPUZODB-WMLDXEAASA-N 1 3 260.425 3.288 20 0 CGADHO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000261573480 276057740 /nfs/dbraw/zinc/05/77/40/276057740.db2.gz AQXSORRWKNHVGF-KEYYUXOJSA-N 1 3 260.425 3.459 20 0 CGADHO CC1CC[NH+](C[C@@H]2CCCN(CC3CCC3)C2)CC1 ZINC000173593758 276198702 /nfs/dbraw/zinc/19/87/02/276198702.db2.gz AHDTYIFLQXKDEW-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000173593758 276198704 /nfs/dbraw/zinc/19/87/04/276198704.db2.gz AHDTYIFLQXKDEW-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000173593758 276198705 /nfs/dbraw/zinc/19/87/05/276198705.db2.gz AHDTYIFLQXKDEW-KRWDZBQOSA-N 1 3 264.457 3.230 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423170789 276337281 /nfs/dbraw/zinc/33/72/81/276337281.db2.gz YWKDBRXLHKMWSG-QBPKDAKJSA-N 1 3 282.472 3.235 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC000410415839 277083466 /nfs/dbraw/zinc/08/34/66/277083466.db2.gz XLMABJGVXOEWSN-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC000410415839 277083467 /nfs/dbraw/zinc/08/34/67/277083467.db2.gz XLMABJGVXOEWSN-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCCc2c3ccccc3sc21 ZINC000423197867 277268646 /nfs/dbraw/zinc/26/86/46/277268646.db2.gz BPMKNKUHFLESJM-CQSZACIVSA-N 1 3 274.433 3.478 20 0 CGADHO CNCCC[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423197867 277268647 /nfs/dbraw/zinc/26/86/47/277268647.db2.gz BPMKNKUHFLESJM-CQSZACIVSA-N 1 3 274.433 3.478 20 0 CGADHO CO[C@H]([C@@H](C)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000449629619 277333073 /nfs/dbraw/zinc/33/30/73/277333073.db2.gz LBEHPOHIFIUAFN-RDTXWAMCSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@H]([C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000449629619 277333074 /nfs/dbraw/zinc/33/30/74/277333074.db2.gz LBEHPOHIFIUAFN-RDTXWAMCSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000488447358 277396766 /nfs/dbraw/zinc/39/67/66/277396766.db2.gz IWBOXEYOXJHFLC-KLAILNCOSA-N 1 3 266.473 3.379 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425935754 277886630 /nfs/dbraw/zinc/88/66/30/277886630.db2.gz JPCMDJKKNHJAMW-WMZOPIPTSA-N 1 3 276.468 3.431 20 0 CGADHO C[C@H]1CCCC[C@@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000394797447 288004205 /nfs/dbraw/zinc/00/42/05/288004205.db2.gz QNRYIDDMTRHIQY-GOEBONIOSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c2ccccc2n1 ZINC000397432807 288023736 /nfs/dbraw/zinc/02/37/36/288023736.db2.gz FOQGWAKFFUDORN-KMFMINBZSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000422919395 278228191 /nfs/dbraw/zinc/22/81/91/278228191.db2.gz JUCBZETUINEQPC-GZMMTYOYSA-N 1 3 289.206 3.144 20 0 CGADHO C[C@@H](CC[NH+](C)C)N[C@H]1CC(C)(C)c2ccccc21 ZINC000468979341 278229225 /nfs/dbraw/zinc/22/92/25/278229225.db2.gz KPYWVAFOBUMDFW-BBRMVZONSA-N 1 3 260.425 3.339 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1CN ZINC000397427470 288023923 /nfs/dbraw/zinc/02/39/23/288023923.db2.gz YGSNDVLQIDDYQW-ZOBORPQBSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1CN ZINC000397427470 288023927 /nfs/dbraw/zinc/02/39/27/288023927.db2.gz YGSNDVLQIDDYQW-ZOBORPQBSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)[C@@H]1COc2ccccc21 ZINC000348776351 278259741 /nfs/dbraw/zinc/25/97/41/278259741.db2.gz PXYLSNBUASKQIP-ZOBUZTSGSA-N 1 3 288.435 3.015 20 0 CGADHO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)[C@@H]1COc2ccccc21 ZINC000348776351 278259742 /nfs/dbraw/zinc/25/97/42/278259742.db2.gz PXYLSNBUASKQIP-ZOBUZTSGSA-N 1 3 288.435 3.015 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000449438782 278336202 /nfs/dbraw/zinc/33/62/02/278336202.db2.gz DYDAXLFWEGVKJR-CPUCHLNUSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H]1C ZINC000423395903 278522833 /nfs/dbraw/zinc/52/28/33/278522833.db2.gz SABYTMXUHVNIDD-IGCXYCKISA-N 1 3 258.409 3.204 20 0 CGADHO CCC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000422719745 278872799 /nfs/dbraw/zinc/87/27/99/278872799.db2.gz ZEOMBZPAYZQHBM-HZPDHXFCSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@]1(C)CC[NH2+]C1 ZINC000262080978 279002778 /nfs/dbraw/zinc/00/27/78/279002778.db2.gz TWALGEPEBHYBQA-UKPHBRMFSA-N 1 3 276.399 3.003 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000410391866 279095737 /nfs/dbraw/zinc/09/57/37/279095737.db2.gz NFIGOXWHLBHOQF-RDJZCZTQSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000410391866 279095738 /nfs/dbraw/zinc/09/57/38/279095738.db2.gz NFIGOXWHLBHOQF-RDJZCZTQSA-N 1 3 266.473 3.332 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000359327854 279121089 /nfs/dbraw/zinc/12/10/89/279121089.db2.gz XVCIMWILFXVYOO-NXOAAHMSSA-N 1 3 282.472 3.044 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000410390384 279124716 /nfs/dbraw/zinc/12/47/16/279124716.db2.gz PHYZEMLFQZBPMH-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410390384 279124717 /nfs/dbraw/zinc/12/47/17/279124717.db2.gz PHYZEMLFQZBPMH-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000410390384 279124718 /nfs/dbraw/zinc/12/47/18/279124718.db2.gz PHYZEMLFQZBPMH-HNNXBMFYSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008383 279258479 /nfs/dbraw/zinc/25/84/79/279258479.db2.gz MXVKRYOIXUYQEZ-ZBFHGGJFSA-N 1 3 288.435 3.363 20 0 CGADHO c1cc2c(cc1C[NH2+]CCCN1CCCC1)CCCC2 ZINC000490543006 288118191 /nfs/dbraw/zinc/11/81/91/288118191.db2.gz ZENBFCATUVTMDQ-UHFFFAOYSA-N 1 3 272.436 3.141 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCc2sccc21)CN1CCCC1 ZINC000062079034 279350045 /nfs/dbraw/zinc/35/00/45/279350045.db2.gz DOCKOUCDJIWUMK-UKRRQHHQSA-N 1 3 278.465 3.447 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)CN(C)C ZINC000425936619 279350466 /nfs/dbraw/zinc/35/04/66/279350466.db2.gz JIJBWHFOTBKDNC-IAQYHMDHSA-N 1 3 266.816 3.115 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000174315925 288161494 /nfs/dbraw/zinc/16/14/94/288161494.db2.gz GUBFQSNTIZARNP-NXOAAHMSSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346825176 280103321 /nfs/dbraw/zinc/10/33/21/280103321.db2.gz AURMRIDESFZOTM-NVXWUHKLSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC000346825176 280103323 /nfs/dbraw/zinc/10/33/23/280103323.db2.gz AURMRIDESFZOTM-NVXWUHKLSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@@H](C)N(Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346825176 280103326 /nfs/dbraw/zinc/10/33/26/280103326.db2.gz AURMRIDESFZOTM-NVXWUHKLSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000414777736 280174010 /nfs/dbraw/zinc/17/40/10/280174010.db2.gz YHUORCRRSNYSHL-KANFNMMFSA-N 1 3 284.447 3.181 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000414777739 280174074 /nfs/dbraw/zinc/17/40/74/280174074.db2.gz YHUORCRRSNYSHL-LULLPPNCSA-N 1 3 284.447 3.181 20 0 CGADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157852954 280186584 /nfs/dbraw/zinc/18/65/84/280186584.db2.gz MGNKKCIKHZXIHO-DOTOQJQBSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157852954 280186585 /nfs/dbraw/zinc/18/65/85/280186585.db2.gz MGNKKCIKHZXIHO-DOTOQJQBSA-N 1 3 292.471 3.115 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H](C)C1CNC1)c1ccc(Cl)cc1 ZINC000423107883 280253985 /nfs/dbraw/zinc/25/39/85/280253985.db2.gz LKSRTPXTBMPQAG-LRDDRELGSA-N 1 3 280.843 3.277 20 0 CGADHO CC(C)[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423107883 280253988 /nfs/dbraw/zinc/25/39/88/280253988.db2.gz LKSRTPXTBMPQAG-LRDDRELGSA-N 1 3 280.843 3.277 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC(F)(F)C1 ZINC000529542877 288262807 /nfs/dbraw/zinc/26/28/07/288262807.db2.gz MFIWTMDTZOMXNT-LBPRGKRZSA-N 1 3 282.378 3.272 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423410026 281026706 /nfs/dbraw/zinc/02/67/06/281026706.db2.gz ZNWCFAFZOKJQOO-OWQGQXMQSA-N 1 3 297.446 3.441 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCNC[C@@H]1C ZINC000423410026 281026707 /nfs/dbraw/zinc/02/67/07/281026707.db2.gz ZNWCFAFZOKJQOO-OWQGQXMQSA-N 1 3 297.446 3.441 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCNCC1)CC3 ZINC000335253647 281036555 /nfs/dbraw/zinc/03/65/55/281036555.db2.gz ZZLJCEFHJYDTHF-LSDHHAIUSA-N 1 3 297.446 3.065 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000530209398 288300019 /nfs/dbraw/zinc/30/00/19/288300019.db2.gz HDTRBOLQDWWWGH-CABCVRRESA-N 1 3 250.430 3.062 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178333 288295285 /nfs/dbraw/zinc/29/52/85/288295285.db2.gz KFHDBHHDQCAYMQ-UKRRQHHQSA-N 1 3 250.430 3.220 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530179750 288296313 /nfs/dbraw/zinc/29/63/13/288296313.db2.gz WQMQNKYZMZKDOW-OKZBNKHCSA-N 1 3 284.447 3.272 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459597 288362490 /nfs/dbraw/zinc/36/24/90/288362490.db2.gz PXIXUGFKIPGRJF-BZUAXINKSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459597 288362492 /nfs/dbraw/zinc/36/24/92/288362492.db2.gz PXIXUGFKIPGRJF-BZUAXINKSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000423059865 281894211 /nfs/dbraw/zinc/89/42/11/281894211.db2.gz MYKRFGVSMITWGT-YDHLFZDLSA-N 1 3 275.440 3.468 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414209357 292665348 /nfs/dbraw/zinc/66/53/48/292665348.db2.gz SOUOGTYJKCGBRH-XYJFISCASA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)N1CCCCC1 ZINC000549038344 289032946 /nfs/dbraw/zinc/03/29/46/289032946.db2.gz YUHXSMQJVHBUFZ-QKPAOTATSA-N 1 3 250.430 3.029 20 0 CGADHO CCCCOCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550627610 289079628 /nfs/dbraw/zinc/07/96/28/289079628.db2.gz NHLWJTKHOWPAOB-MSOLQXFVSA-N 1 3 290.451 3.228 20 0 CGADHO CCCCOCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550627610 289079631 /nfs/dbraw/zinc/07/96/31/289079631.db2.gz NHLWJTKHOWPAOB-MSOLQXFVSA-N 1 3 290.451 3.228 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000552321193 289181189 /nfs/dbraw/zinc/18/11/89/289181189.db2.gz LSSMUFXVURHJMO-OHFALNGGSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090438 289257718 /nfs/dbraw/zinc/25/77/18/289257718.db2.gz RJPTXJKNCIJKMK-BVUBDWEXSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090438 289257720 /nfs/dbraw/zinc/25/77/20/289257720.db2.gz RJPTXJKNCIJKMK-BVUBDWEXSA-N 1 3 294.389 3.140 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@H](C[NH+](C)C)C1 ZINC000558939072 289528023 /nfs/dbraw/zinc/52/80/23/289528023.db2.gz DFCZILAWDULPOH-OAHLLOKOSA-N 1 3 297.446 3.494 20 0 CGADHO Cc1csc(C2(NCC[C@@H]3CCC[NH2+]C3)CCCC2)n1 ZINC000420306234 293027110 /nfs/dbraw/zinc/02/71/10/293027110.db2.gz AGNJXCCCZHXKMR-AWEZNQCLSA-N 1 3 293.480 3.200 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000422781307 295234339 /nfs/dbraw/zinc/23/43/39/295234339.db2.gz LPAQKRABGPYJPP-RKVPGOIHSA-N 1 3 290.451 3.167 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089143488 295250957 /nfs/dbraw/zinc/25/09/57/295250957.db2.gz RJMWSFFGOSIMAT-YWPUVAFDSA-N 1 3 278.362 3.215 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000227133104 295251334 /nfs/dbraw/zinc/25/13/34/295251334.db2.gz OIQFNMGEDUYMGU-USXIJHARSA-N 1 3 258.409 3.171 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccccc21 ZINC000227133104 295251336 /nfs/dbraw/zinc/25/13/36/295251336.db2.gz OIQFNMGEDUYMGU-USXIJHARSA-N 1 3 258.409 3.171 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)CCN1 ZINC000414949543 297283256 /nfs/dbraw/zinc/28/32/56/297283256.db2.gz NPHREYGJUNCHBR-OLZOCXBDSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@H]2CCC[NH2+]C2)C1 ZINC000346989847 297293831 /nfs/dbraw/zinc/29/38/31/297293831.db2.gz SDZSCUJGAVIIBW-KEYYUXOJSA-N 1 3 276.399 3.208 20 0 CGADHO Cc1cc([C@@H](NC[C@H]2CCC[NH2+]C2)C2CC2)ccc1F ZINC000423204758 301409466 /nfs/dbraw/zinc/40/94/66/301409466.db2.gz DSHNGFWSICHGEM-GUYCJALGSA-N 1 3 276.399 3.174 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422752171 301778688 /nfs/dbraw/zinc/77/86/88/301778688.db2.gz APWKSFMVASMAIG-OIISXLGYSA-N 1 3 260.425 3.206 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423372809 301892772 /nfs/dbraw/zinc/89/27/72/301892772.db2.gz HEXHYJHBKDGOMH-LZWOXQAQSA-N 1 3 274.408 3.068 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000422836223 302588218 /nfs/dbraw/zinc/58/82/18/302588218.db2.gz JQCKIYPUGIJUBY-DOMZBBRYSA-N 1 3 261.413 3.078 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422701723 303399940 /nfs/dbraw/zinc/39/99/40/303399940.db2.gz JDEFFDKNUXTWLR-BBRMVZONSA-N 1 3 292.854 3.479 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000388699428 327713484 /nfs/dbraw/zinc/71/34/84/327713484.db2.gz MTWGCVSATWBYFI-YOEHRIQHSA-N 1 3 273.424 3.219 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(OC3CCCC3)cc2)C1 ZINC000563820292 322011500 /nfs/dbraw/zinc/01/15/00/322011500.db2.gz DQGHGXPEMUKYAY-HOTGVXAUSA-N 1 3 288.435 3.368 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000563951252 322016500 /nfs/dbraw/zinc/01/65/00/322016500.db2.gz UAAOTBFFXCLYOT-NVXWUHKLSA-N 1 3 258.409 3.186 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000564252112 322024582 /nfs/dbraw/zinc/02/45/82/322024582.db2.gz NSXJKSHDWVPMGW-DOMZBBRYSA-N 1 3 266.454 3.083 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000564252112 322024584 /nfs/dbraw/zinc/02/45/84/322024584.db2.gz NSXJKSHDWVPMGW-DOMZBBRYSA-N 1 3 266.454 3.083 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000564988328 322052774 /nfs/dbraw/zinc/05/27/74/322052774.db2.gz DKEDIYBBOJOVIY-SFHVURJKSA-N 1 3 296.414 3.457 20 0 CGADHO C[C@H](CCN[C@@H]1CCC1(C)C)[NH2+][C@H]1CCC1(C)C ZINC000565175261 322065200 /nfs/dbraw/zinc/06/52/00/322065200.db2.gz UBZBONVKQGELRV-MCIONIFRSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC1(C)C)N[C@H]1CCC1(C)C ZINC000565175261 322065202 /nfs/dbraw/zinc/06/52/02/322065202.db2.gz UBZBONVKQGELRV-MCIONIFRSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]([C@H]1CCCNC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000566062633 322102564 /nfs/dbraw/zinc/10/25/64/322102564.db2.gz UWPZBPVUSQXNCL-LPHOPBHVSA-N 1 3 286.463 3.329 20 0 CGADHO CC(C)CC[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000566112394 322104945 /nfs/dbraw/zinc/10/49/45/322104945.db2.gz NSYDRDQALGYDGP-SFHVURJKSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)CC[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000566112394 322104948 /nfs/dbraw/zinc/10/49/48/322104948.db2.gz NSYDRDQALGYDGP-SFHVURJKSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)C1 ZINC000566706552 322135251 /nfs/dbraw/zinc/13/52/51/322135251.db2.gz YLPLLQYVXCJYDK-RYRKJORJSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)C1 ZINC000566706552 322135254 /nfs/dbraw/zinc/13/52/54/322135254.db2.gz YLPLLQYVXCJYDK-RYRKJORJSA-N 1 3 278.484 3.476 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CCC2 ZINC000566915736 322142739 /nfs/dbraw/zinc/14/27/39/322142739.db2.gz PSCAAGNYCVEQAP-IBGZPJMESA-N 1 3 296.414 3.321 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Oc1cccc(Cl)c1 ZINC000568248092 322200717 /nfs/dbraw/zinc/20/07/17/322200717.db2.gz HKLGOJTYQZSIRV-RRFJBIMHSA-N 1 3 296.842 3.357 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCOc1cccc(Cl)c1Cl ZINC000569713664 322255069 /nfs/dbraw/zinc/25/50/69/322255069.db2.gz YWGJQXIZCQRWPI-VHSXEESVSA-N 1 3 291.222 3.088 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000569745337 322255945 /nfs/dbraw/zinc/25/59/45/322255945.db2.gz UORNBZLHSLVOMJ-XQQFMLRXSA-N 1 3 260.372 3.062 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3c(F)cccc32)C1 ZINC000574290109 322433102 /nfs/dbraw/zinc/43/31/02/322433102.db2.gz GSYOVVGUTJODIR-HSMVNMDESA-N 1 3 262.372 3.063 20 0 CGADHO CCNCCC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000582235526 328836072 /nfs/dbraw/zinc/83/60/72/328836072.db2.gz WUWMBXPGPUJKEA-PNESKVBLSA-N 1 3 280.378 3.333 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)[C@H]1CCCNC1 ZINC000582713226 329129430 /nfs/dbraw/zinc/12/94/30/329129430.db2.gz DRUSTADKMZQLCD-ZNMIVQPWSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000582779586 329185219 /nfs/dbraw/zinc/18/52/19/329185219.db2.gz ZHRNBOXKSJEISH-VWLISTAJSA-N 1 3 273.424 3.078 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000582915202 329288361 /nfs/dbraw/zinc/28/83/61/329288361.db2.gz CNLFCKOEWSLRJN-BNICSPFPSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000397265988 329346781 /nfs/dbraw/zinc/34/67/81/329346781.db2.gz KIRFOHKGXBLEBP-IIAWOOMASA-N 1 3 283.419 3.040 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718046 335239938 /nfs/dbraw/zinc/23/99/38/335239938.db2.gz PGHNWFJRODDRDA-CHWSQXEVSA-N 1 3 294.389 3.246 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718046 335239939 /nfs/dbraw/zinc/23/99/39/335239939.db2.gz PGHNWFJRODDRDA-CHWSQXEVSA-N 1 3 294.389 3.246 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3Cl)C1 ZINC000579701805 335868128 /nfs/dbraw/zinc/86/81/28/335868128.db2.gz LEHWDQQIIMQKEB-UEKVPHQBSA-N 1 3 264.800 3.187 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000581694259 336128777 /nfs/dbraw/zinc/12/87/77/336128777.db2.gz KCUAIGXVRRCBNW-LJQANCHMSA-N 1 3 286.463 3.413 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000581694259 336128779 /nfs/dbraw/zinc/12/87/79/336128779.db2.gz KCUAIGXVRRCBNW-LJQANCHMSA-N 1 3 286.463 3.413 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCCF)C2)s1 ZINC000581946921 336174855 /nfs/dbraw/zinc/17/48/55/336174855.db2.gz HLGYPJMXGQJRNP-AWEZNQCLSA-N 1 3 284.444 3.170 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCCF)C2)s1 ZINC000581946921 336174856 /nfs/dbraw/zinc/17/48/56/336174856.db2.gz HLGYPJMXGQJRNP-AWEZNQCLSA-N 1 3 284.444 3.170 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccccc3Cl)CC2)C1 ZINC000581954359 336178837 /nfs/dbraw/zinc/17/88/37/336178837.db2.gz URGMINMFEQJWOY-QWHCGFSZSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000581954359 336178839 /nfs/dbraw/zinc/17/88/39/336178839.db2.gz URGMINMFEQJWOY-QWHCGFSZSA-N 1 3 278.827 3.231 20 0 CGADHO C[C@H](CC1CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362954 533767022 /nfs/dbraw/zinc/76/70/22/533767022.db2.gz IOMCQZFVZUFBPW-JDSLSITLSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCN1 ZINC000423380470 533963421 /nfs/dbraw/zinc/96/34/21/533963421.db2.gz MRUWBOKNCHPHBX-XLNGHYISSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)CC1CCCCC1 ZINC000414826738 534059344 /nfs/dbraw/zinc/05/93/44/534059344.db2.gz JKUYAXCNNOLVIT-GDBMZVCRSA-N 1 3 252.446 3.182 20 0 CGADHO CS[C@H]1CC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358768638 534110722 /nfs/dbraw/zinc/11/07/22/534110722.db2.gz GCWYCYZHGUPPKH-HOTGVXAUSA-N 1 3 282.497 3.267 20 0 CGADHO CS[C@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358768638 534110723 /nfs/dbraw/zinc/11/07/23/534110723.db2.gz GCWYCYZHGUPPKH-HOTGVXAUSA-N 1 3 282.497 3.267 20 0 CGADHO CSc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)s1 ZINC000356093871 534202898 /nfs/dbraw/zinc/20/28/98/534202898.db2.gz JKLAZXNKLJOGQF-GFCCVEGCSA-N 1 3 284.494 3.244 20 0 CGADHO CSc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)s1 ZINC000356093871 534202901 /nfs/dbraw/zinc/20/29/01/534202901.db2.gz JKLAZXNKLJOGQF-GFCCVEGCSA-N 1 3 284.494 3.244 20 0 CGADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102423161 521717467 /nfs/dbraw/zinc/71/74/67/521717467.db2.gz RENAGIWBAAFIOH-GSPCDJLXSA-N 1 3 258.409 3.021 20 0 CGADHO CC[N@H+]1CC[C@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102423161 521717469 /nfs/dbraw/zinc/71/74/69/521717469.db2.gz RENAGIWBAAFIOH-GSPCDJLXSA-N 1 3 258.409 3.021 20 0 CGADHO CCN1CC[C@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000102423161 521717470 /nfs/dbraw/zinc/71/74/70/521717470.db2.gz RENAGIWBAAFIOH-GSPCDJLXSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C(C)C ZINC000089214938 522822859 /nfs/dbraw/zinc/82/28/59/522822859.db2.gz ZCOQRRVVSWMBDK-QGZVFWFLSA-N 1 3 275.440 3.322 20 0 CGADHO C[C@H](CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538420 524340571 /nfs/dbraw/zinc/34/05/71/524340571.db2.gz QFIFGFIHEGKWDQ-RHSMWYFYSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538420 524340577 /nfs/dbraw/zinc/34/05/77/524340577.db2.gz QFIFGFIHEGKWDQ-RHSMWYFYSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538420 524340582 /nfs/dbraw/zinc/34/05/82/524340582.db2.gz QFIFGFIHEGKWDQ-RHSMWYFYSA-N 1 3 278.415 3.345 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000157770088 525267182 /nfs/dbraw/zinc/26/71/82/525267182.db2.gz FPMVUUBPVDWNSQ-DYVFJYSZSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157770088 525267189 /nfs/dbraw/zinc/26/71/89/525267189.db2.gz FPMVUUBPVDWNSQ-DYVFJYSZSA-N 1 3 258.409 3.136 20 0 CGADHO CC(C)(C)[C@H](CCC1CCCC1)[NH2+]CC1CNC1 ZINC000423334512 526689794 /nfs/dbraw/zinc/68/97/94/526689794.db2.gz WOFSVLOQAOQKDG-HNNXBMFYSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1nc(C)c([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000156670279 526754852 /nfs/dbraw/zinc/75/48/52/526754852.db2.gz BVDFDLUBHDPJPQ-JTQLQIEISA-N 1 3 287.432 3.214 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423232481 527783366 /nfs/dbraw/zinc/78/33/66/527783366.db2.gz MSOLGVDATMVZAO-GJZGRUSLSA-N 1 3 278.440 3.499 20 0 CGADHO CC1(C)[C@H](NCC2([NH3+])CCC2)C[C@H]1c1ccccc1 ZINC000423335739 527867072 /nfs/dbraw/zinc/86/70/72/527867072.db2.gz UEEPGGCOXGYMNK-LSDHHAIUSA-N 1 3 258.409 3.040 20 0 CGADHO CC(C)COc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423230337 528164594 /nfs/dbraw/zinc/16/45/94/528164594.db2.gz IZPVKRBXYIFVBC-KBPBESRZSA-N 1 3 264.413 3.109 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(OC)cc1 ZINC000423270622 528223099 /nfs/dbraw/zinc/22/30/99/528223099.db2.gz IEXDLFLKKOEYDR-CVEARBPZSA-N 1 3 264.413 3.109 20 0 CGADHO CCC[C@H](NC[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000423297288 528224780 /nfs/dbraw/zinc/22/47/80/528224780.db2.gz JQOYFBQXRXOJMK-RISCZKNCSA-N 1 3 254.805 3.366 20 0 CGADHO CC(C)c1nc([C@H](C)NC[C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423482517 528313092 /nfs/dbraw/zinc/31/30/92/528313092.db2.gz XXCCRDDGAHZEQW-YNEHKIRRSA-N 1 3 281.469 3.435 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423399365 528437448 /nfs/dbraw/zinc/43/74/48/528437448.db2.gz VVNYAENLEMTGSM-KBAYOESNSA-N 1 3 274.452 3.374 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423275397 528534667 /nfs/dbraw/zinc/53/46/67/528534667.db2.gz NDDDEUPJLAQVDB-GWCFXTLKSA-N 1 3 290.329 3.219 20 0 CGADHO CCCCOc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1OC ZINC000423297419 528688639 /nfs/dbraw/zinc/68/86/39/528688639.db2.gz KFMJQGYHKAEUEQ-ZIAGYGMSSA-N 1 3 294.439 3.120 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414970931 529130103 /nfs/dbraw/zinc/13/01/03/529130103.db2.gz KYJYIVPGVPZUGR-KRWDZBQOSA-N 1 3 290.451 3.213 20 0 CGADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423226547 529168032 /nfs/dbraw/zinc/16/80/32/529168032.db2.gz RCZHHNPPOOEFCD-GXFFZTMASA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1OC ZINC000423421887 529204296 /nfs/dbraw/zinc/20/42/96/529204296.db2.gz BFBIQKFSCNNVKF-GVDBMIGSSA-N 1 3 288.435 3.124 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](COC)C(C)C ZINC000484289526 535580708 /nfs/dbraw/zinc/58/07/08/535580708.db2.gz GECCHNACEGZJQC-GVDBMIGSSA-N 1 3 284.488 3.148 20 0 CGADHO CCc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000517034764 535886673 /nfs/dbraw/zinc/88/66/73/535886673.db2.gz OVVSYPQVLHRNQH-UHFFFAOYSA-N 1 3 272.436 3.213 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222942255 572628588 /nfs/dbraw/zinc/62/85/88/572628588.db2.gz AUXYUDVOQPNKPQ-QCODTGAPSA-N 1 3 252.446 3.307 20 0 CGADHO Cc1nc([C@@H](C)NCCC2CC[NH+](C)CC2)c(C)s1 ZINC000158076624 572854088 /nfs/dbraw/zinc/85/40/88/572854088.db2.gz ONFJPKUMJHIDSC-LLVKDONJSA-N 1 3 281.469 3.142 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)N1CCCCC1 ZINC000926146360 618177964 /nfs/dbraw/zinc/17/79/64/618177964.db2.gz UTYBMFGTLWOFGD-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000924572542 618855555 /nfs/dbraw/zinc/85/55/55/618855555.db2.gz RSSXJBKOCICXNO-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1NCCc1c[nH]c2cc(Cl)ccc12 ZINC000925520241 619012706 /nfs/dbraw/zinc/01/27/06/619012706.db2.gz LQOMSVTZYAOICW-ABAIWWIYSA-N 1 3 291.826 3.094 20 0 CGADHO FC1(F)CCCC[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925672648 619124100 /nfs/dbraw/zinc/12/41/00/619124100.db2.gz JGMNJALCQBDOBN-OLZOCXBDSA-N 1 3 272.383 3.076 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C[C@]1(F)Cl ZINC000925714171 619159652 /nfs/dbraw/zinc/15/96/52/619159652.db2.gz WGEVRHCJTHEWLZ-FMKNKJFCSA-N 1 3 288.838 3.057 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@H]1CCCC12CC2 ZINC000925720204 619165016 /nfs/dbraw/zinc/16/50/16/619165016.db2.gz WKLJLMUHRRHSQI-IKGGRYGDSA-N 1 3 276.468 3.325 20 0 CGADHO [NH3+]CCC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000925732387 619206297 /nfs/dbraw/zinc/20/62/97/619206297.db2.gz GFXWTHGDSGKAKP-FRRDWIJNSA-N 1 3 272.314 3.007 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c(C)c1 ZINC000925776913 619239818 /nfs/dbraw/zinc/23/98/18/619239818.db2.gz AWOQFVNCNWQBHA-ZIAGYGMSSA-N 1 3 282.378 3.199 20 0 CGADHO CC(C)SCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261550285 619288890 /nfs/dbraw/zinc/28/88/90/619288890.db2.gz LEBKQDMYVDALMH-KGLIPLIRSA-N 1 3 258.475 3.028 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc2ccccc21 ZINC000261783198 619420390 /nfs/dbraw/zinc/42/03/90/619420390.db2.gz PTUYYVRWBWCSLY-QWQRMKEZSA-N 1 3 268.404 3.488 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccc2ccccc21 ZINC000261783198 619420392 /nfs/dbraw/zinc/42/03/92/619420392.db2.gz PTUYYVRWBWCSLY-QWQRMKEZSA-N 1 3 268.404 3.488 20 0 CGADHO c1ncc(CNCc2cccc(C[NH+]3CCCCCC3)c2)[nH]1 ZINC000894210689 619425186 /nfs/dbraw/zinc/42/51/86/619425186.db2.gz IVFGCOQLRFNYBF-UHFFFAOYSA-N 1 3 298.434 3.076 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494165 619555314 /nfs/dbraw/zinc/55/53/14/619555314.db2.gz CVXLFFLITWFEHD-JENIJYKNSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCc3ccccc32)C1 ZINC000894494165 619555320 /nfs/dbraw/zinc/55/53/20/619555320.db2.gz CVXLFFLITWFEHD-JENIJYKNSA-N 1 3 284.447 3.133 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)N(C)C ZINC000895292373 619796861 /nfs/dbraw/zinc/79/68/61/619796861.db2.gz FSJOKRFKGUAUGJ-BFYDXBDKSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@H](CC[NH2+]C1CCC(OC2CCCC2)CC1)N(C)C ZINC000895291940 619797192 /nfs/dbraw/zinc/79/71/92/619797192.db2.gz KTMKQLUYKZMVSO-HPUBIQBYSA-N 1 3 282.472 3.187 20 0 CGADHO Cc1nc2ccc(C[NH2+]CC[C@H](C)N(C)C)cc2s1 ZINC000895293011 619798394 /nfs/dbraw/zinc/79/83/94/619798394.db2.gz FKNJCLVRVJHAGI-NSHDSACASA-N 1 3 277.437 3.035 20 0 CGADHO CCCSC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000895479551 619836237 /nfs/dbraw/zinc/83/62/37/619836237.db2.gz PXHATTGWKXZHRG-ZBFHGGJFSA-N 1 3 284.513 3.230 20 0 CGADHO CSc1ccc(CNCc2ccc(CC[NH3+])cc2)cc1 ZINC000841032255 620409714 /nfs/dbraw/zinc/40/97/14/620409714.db2.gz QJCNLKOWOSNTAL-UHFFFAOYSA-N 1 3 286.444 3.200 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000927024320 620564189 /nfs/dbraw/zinc/56/41/89/620564189.db2.gz GYYBAXLPIZATFO-SZMVWBNQSA-N 1 3 296.499 3.170 20 0 CGADHO Cc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902477343 621326587 /nfs/dbraw/zinc/32/65/87/621326587.db2.gz SOAJTFSLHTWSNZ-DFBDCSAJSA-N 1 3 270.420 3.114 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCS1 ZINC000902451082 621330218 /nfs/dbraw/zinc/33/02/18/621330218.db2.gz FKBGRBJRKTVRJK-PMPSAXMXSA-N 1 3 296.524 3.419 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452570 621331327 /nfs/dbraw/zinc/33/13/27/621331327.db2.gz LGZDDZLQHOVKKU-GWIFVGGISA-N 1 3 294.389 3.318 20 0 CGADHO Cc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)cc1 ZINC000902471788 621342049 /nfs/dbraw/zinc/34/20/49/621342049.db2.gz SOAJTFSLHTWSNZ-IGKNDFSCSA-N 1 3 270.420 3.114 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902472106 621342211 /nfs/dbraw/zinc/34/22/11/621342211.db2.gz WSFBVQXZTBFUMS-ZBRFXRBCSA-N 1 3 270.420 3.195 20 0 CGADHO Fc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903059833 621547336 /nfs/dbraw/zinc/54/73/36/621547336.db2.gz PCIUXSHFHAGFSX-ZNXRZULTSA-N 1 3 288.410 3.116 20 0 CGADHO Fc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903059833 621547346 /nfs/dbraw/zinc/54/73/46/621547346.db2.gz PCIUXSHFHAGFSX-ZNXRZULTSA-N 1 3 288.410 3.116 20 0 CGADHO COC[C@H](CC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903197190 621622388 /nfs/dbraw/zinc/62/23/88/621622388.db2.gz WLZMTINPUGSPMS-AZZBFNOKSA-N 1 3 294.483 3.185 20 0 CGADHO COC[C@H](CC(C)(C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903197190 621622389 /nfs/dbraw/zinc/62/23/89/621622389.db2.gz WLZMTINPUGSPMS-AZZBFNOKSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903354515 621712686 /nfs/dbraw/zinc/71/26/86/621712686.db2.gz OYJDMKQQMHOLRD-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903354515 621712690 /nfs/dbraw/zinc/71/26/90/621712690.db2.gz OYJDMKQQMHOLRD-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cccnc1 ZINC000903378227 621721219 /nfs/dbraw/zinc/72/12/19/621721219.db2.gz PHBJHUQXDWGBTB-MXSMSXNCSA-N 1 3 287.451 3.243 20 0 CGADHO CCC(C)(C)[C@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381802 621724006 /nfs/dbraw/zinc/72/40/06/621724006.db2.gz YWRJEGDNOGPLDA-GOEBONIOSA-N 1 3 277.456 3.489 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424934 621751292 /nfs/dbraw/zinc/75/12/92/621751292.db2.gz MISJQDWPFSSYRA-DTZQCDIJSA-N 1 3 294.389 3.095 20 0 CGADHO CC[C@H](NC[C@H]1CCCC[NH2+]C1)c1ccc(OC)cc1 ZINC000903760237 621802507 /nfs/dbraw/zinc/80/25/07/621802507.db2.gz WITYPQKFCPCNSH-YOEHRIQHSA-N 1 3 276.424 3.126 20 0 CGADHO [NH3+]CC1([C@H]2CCCCN2CCOc2ccccc2)CCC1 ZINC000903814462 621808949 /nfs/dbraw/zinc/80/89/49/621808949.db2.gz LWWKRMQCGWQEQY-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO CC1(C)Nc2ccccc2[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000904385626 621917463 /nfs/dbraw/zinc/91/74/63/621917463.db2.gz AJQYVVKPPOPIMM-KRWDZBQOSA-N 1 3 281.403 3.180 20 0 CGADHO CC1([NH+]2CCCC2)CCC(NCc2ccncc2F)CC1 ZINC000922503857 626009878 /nfs/dbraw/zinc/00/98/78/626009878.db2.gz LGLNTDUPLXOYAH-UHFFFAOYSA-N 1 3 291.414 3.107 20 0 CGADHO C[NH+](C)CC[C@@H](NCC1CCCCC1)c1cccnc1 ZINC000922629038 626022166 /nfs/dbraw/zinc/02/21/66/626022166.db2.gz HMDJRQBTWNKJMZ-QGZVFWFLSA-N 1 3 275.440 3.244 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2ccc(Cl)cn2)CC1 ZINC000922847232 626057718 /nfs/dbraw/zinc/05/77/18/626057718.db2.gz XJFCCHIXSZFAJB-UHFFFAOYSA-N 1 3 293.842 3.232 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cccnc2Cl)CC1 ZINC000765766970 627268982 /nfs/dbraw/zinc/26/89/82/627268982.db2.gz CXXRUZGCAFPPQC-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)Cc2ccccc21 ZINC000767355787 627401064 /nfs/dbraw/zinc/40/10/64/627401064.db2.gz VHJKHYVMSWJLIJ-GDBMZVCRSA-N 1 3 258.409 3.090 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)Cc2ccccc21 ZINC000767355787 627401066 /nfs/dbraw/zinc/40/10/66/627401066.db2.gz VHJKHYVMSWJLIJ-GDBMZVCRSA-N 1 3 258.409 3.090 20 0 CGADHO FC(F)C1CC([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC000768709428 627495150 /nfs/dbraw/zinc/49/51/50/627495150.db2.gz QBUMSRQSNBBFIQ-UHFFFAOYSA-N 1 3 286.410 3.274 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292990 628479794 /nfs/dbraw/zinc/47/97/94/628479794.db2.gz OZIMITGKCBVTFE-PKOBYXMFSA-N 1 3 298.474 3.380 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292990 628479797 /nfs/dbraw/zinc/47/97/97/628479797.db2.gz OZIMITGKCBVTFE-PKOBYXMFSA-N 1 3 298.474 3.380 20 0 CGADHO FC(F)(F)c1cccc([C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)c1 ZINC000843389664 635656406 /nfs/dbraw/zinc/65/64/06/635656406.db2.gz KQGBBXOSJZAZTA-GXTWGEPZSA-N 1 3 298.352 3.104 20 0 CGADHO CCOc1cccc([C@H](C)NCc2ccc(CC[NH3+])cc2)c1 ZINC000817947317 632243119 /nfs/dbraw/zinc/24/31/19/632243119.db2.gz BZIZNOGFYNBGSA-HNNXBMFYSA-N 1 3 298.430 3.437 20 0 CGADHO [NH3+]CCc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000817949905 632246637 /nfs/dbraw/zinc/24/66/37/632246637.db2.gz UAIULMAIWZIHSX-GOSISDBHSA-N 1 3 296.414 3.191 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]([NH3+])c1ccccc1 ZINC000817955134 632250661 /nfs/dbraw/zinc/25/06/61/632250661.db2.gz QUUFKJAWUAUVFY-MSOLQXFVSA-N 1 3 266.388 3.272 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958393 632253522 /nfs/dbraw/zinc/25/35/22/632253522.db2.gz JFPQNCCJRRRFMP-JKSUJKDBSA-N 1 3 276.424 3.036 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1cccnc1)CN1CCCCC1 ZINC000866236984 633039206 /nfs/dbraw/zinc/03/92/06/633039206.db2.gz ANSHWOZMFICLDB-SJORKVTESA-N 1 3 289.467 3.114 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc2c(ccnc2Cl)o1 ZINC000866250333 633045704 /nfs/dbraw/zinc/04/57/04/633045704.db2.gz YNELVDOMUWAVMQ-WDEREUQCSA-N 1 3 295.814 3.472 20 0 CGADHO COCc1cccc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708968 633236105 /nfs/dbraw/zinc/23/61/05/633236105.db2.gz UCVSHQHKHSECSO-GOSISDBHSA-N 1 3 290.451 3.030 20 0 CGADHO Fc1c(CNCCCCC[NH+]2CCCC2)ccnc1Cl ZINC000824439250 633245588 /nfs/dbraw/zinc/24/55/88/633245588.db2.gz GRCFPYCCOPZKRS-UHFFFAOYSA-N 1 3 299.821 3.230 20 0 CGADHO c1c(C[N@@H+]2CC[C@H](C3CCC3)C2)sc2c1CNCC2 ZINC000873212917 634286230 /nfs/dbraw/zinc/28/62/30/634286230.db2.gz CNUFKQKWYVEUED-ZDUSSCGKSA-N 1 3 276.449 3.016 20 0 CGADHO c1c(C[N@H+]2CC[C@H](C3CCC3)C2)sc2c1CNCC2 ZINC000873212917 634286236 /nfs/dbraw/zinc/28/62/36/634286236.db2.gz CNUFKQKWYVEUED-ZDUSSCGKSA-N 1 3 276.449 3.016 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000873223676 634291394 /nfs/dbraw/zinc/29/13/94/634291394.db2.gz QXBZPQXDPVWRPG-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000873223676 634291399 /nfs/dbraw/zinc/29/13/99/634291399.db2.gz QXBZPQXDPVWRPG-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000873223586 634291990 /nfs/dbraw/zinc/29/19/90/634291990.db2.gz OMDIKPNKYCHBRZ-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000873223586 634291994 /nfs/dbraw/zinc/29/19/94/634291994.db2.gz OMDIKPNKYCHBRZ-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000873257507 634305904 /nfs/dbraw/zinc/30/59/04/634305904.db2.gz UXNNVCWPVWCNOD-OBJOEFQTSA-N 1 3 287.432 3.198 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743390 635179812 /nfs/dbraw/zinc/17/98/12/635179812.db2.gz VLUMOIDXUWKFQE-NCXUSEDFSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743390 635179816 /nfs/dbraw/zinc/17/98/16/635179816.db2.gz VLUMOIDXUWKFQE-NCXUSEDFSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743390 635179819 /nfs/dbraw/zinc/17/98/19/635179819.db2.gz VLUMOIDXUWKFQE-NCXUSEDFSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877743390 635179826 /nfs/dbraw/zinc/17/98/26/635179826.db2.gz VLUMOIDXUWKFQE-NCXUSEDFSA-N 1 3 284.447 3.206 20 0 CGADHO [NH3+]CCCCCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000842473109 635377318 /nfs/dbraw/zinc/37/73/18/635377318.db2.gz PGUDDGPIHIFSIW-MRXNPFEDSA-N 1 3 264.388 3.482 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159814 635384788 /nfs/dbraw/zinc/38/47/88/635384788.db2.gz WSRCBKZVIQUCPM-HZPDHXFCSA-N 1 3 296.499 3.244 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159814 635384796 /nfs/dbraw/zinc/38/47/96/635384796.db2.gz WSRCBKZVIQUCPM-HZPDHXFCSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878235230 635426459 /nfs/dbraw/zinc/42/64/59/635426459.db2.gz CDEMVYPKRRILLN-AWEZNQCLSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccnc(Cl)c1 ZINC000843344246 635652596 /nfs/dbraw/zinc/65/25/96/635652596.db2.gz RTCCFNFMMKXYHZ-NSHDSACASA-N 1 3 275.783 3.045 20 0 CGADHO C[C@@H]1c2sccc2CC[N@H+]1CC[C@H]1CCCN1C ZINC000880377157 635988796 /nfs/dbraw/zinc/98/87/96/635988796.db2.gz PQPISEJTUUXINJ-TZMCWYRMSA-N 1 3 264.438 3.152 20 0 CGADHO C[C@@H]1c2sccc2CC[N@@H+]1CC[C@H]1CCCN1C ZINC000880377157 635988802 /nfs/dbraw/zinc/98/88/02/635988802.db2.gz PQPISEJTUUXINJ-TZMCWYRMSA-N 1 3 264.438 3.152 20 0 CGADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(Cl)nc1 ZINC000880517346 636013352 /nfs/dbraw/zinc/01/33/52/636013352.db2.gz NPUDIDYNPIJBFS-UHFFFAOYSA-N 1 3 295.858 3.433 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883434314 636755817 /nfs/dbraw/zinc/75/58/17/636755817.db2.gz NFLCMIFNFDCKOH-BSDSXHPESA-N 1 3 288.435 3.156 20 0 CGADHO N[C@@H]1CCCCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438430 636756986 /nfs/dbraw/zinc/75/69/86/636756986.db2.gz SJRGSZRXUWBAED-KZNAEPCWSA-N 1 3 288.435 3.110 20 0 CGADHO N[C@@H]1CCCCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438430 636756997 /nfs/dbraw/zinc/75/69/97/636756997.db2.gz SJRGSZRXUWBAED-KZNAEPCWSA-N 1 3 288.435 3.110 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@H](N(C)C)C3)[nH]c2c1 ZINC000850175032 636973927 /nfs/dbraw/zinc/97/39/27/636973927.db2.gz VBTLRWMFBPZIHD-WBVHZDCISA-N 1 3 285.435 3.439 20 0 CGADHO Cc1coc(CNCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000885922854 637312680 /nfs/dbraw/zinc/31/26/80/637312680.db2.gz JPLVXYPLUNXYGP-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1coc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000885922854 637312682 /nfs/dbraw/zinc/31/26/82/637312682.db2.gz JPLVXYPLUNXYGP-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000886089690 637404909 /nfs/dbraw/zinc/40/49/09/637404909.db2.gz HJFDJRJSLPPODI-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924572031 638365414 /nfs/dbraw/zinc/36/54/14/638365414.db2.gz PZTKNGSQDQHNGH-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925500894 638512942 /nfs/dbraw/zinc/51/29/42/638512942.db2.gz AMLOANJKUVNJKV-TUAOUCFPSA-N 1 3 252.427 3.305 20 0 CGADHO CCc1cnccc1[C@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925630258 638549475 /nfs/dbraw/zinc/54/94/75/638549475.db2.gz OUOUATPSFZAZLF-QEJZJMRPSA-N 1 3 275.440 3.201 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1nccs1 ZINC000925648386 638556445 /nfs/dbraw/zinc/55/64/45/638556445.db2.gz UGPQOIKOIBREJB-VHDGCEQUSA-N 1 3 293.480 3.005 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)c1nccs1 ZINC000925648386 638556450 /nfs/dbraw/zinc/55/64/50/638556450.db2.gz UGPQOIKOIBREJB-VHDGCEQUSA-N 1 3 293.480 3.005 20 0 CGADHO FC1(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCC1 ZINC000925673328 638564657 /nfs/dbraw/zinc/56/46/57/638564657.db2.gz NKOMCPPFLSPMCU-CABCVRRESA-N 1 3 268.420 3.027 20 0 CGADHO CC[C@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000925696285 638570878 /nfs/dbraw/zinc/57/08/78/638570878.db2.gz KDIUIAFCWDBGHH-RNJOBUHISA-N 1 3 292.389 3.331 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857847820 638576256 /nfs/dbraw/zinc/57/62/56/638576256.db2.gz ZCDJXPBWXQFIMY-ZBFHGGJFSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857847820 638576260 /nfs/dbraw/zinc/57/62/60/638576260.db2.gz ZCDJXPBWXQFIMY-ZBFHGGJFSA-N 1 3 290.455 3.031 20 0 CGADHO CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)CC(F)F ZINC000925733079 638587819 /nfs/dbraw/zinc/58/78/19/638587819.db2.gz FQPPUSYEJSFNGW-QWHCGFSZSA-N 1 3 268.351 3.402 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000925757386 638599929 /nfs/dbraw/zinc/59/99/29/638599929.db2.gz GDNBJZPCQXZZHK-MRXNPFEDSA-N 1 3 288.435 3.276 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917196 638604165 /nfs/dbraw/zinc/60/41/65/638604165.db2.gz WPMVDGPIBYYOOK-TZMCWYRMSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917196 638604171 /nfs/dbraw/zinc/60/41/71/638604171.db2.gz WPMVDGPIBYYOOK-TZMCWYRMSA-N 1 3 293.842 3.044 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@H](c1ccccc1)c1ccccn1 ZINC000925795268 638616064 /nfs/dbraw/zinc/61/60/64/638616064.db2.gz HDNAFBCAPVIDDS-SZVBFZGTSA-N 1 3 295.430 3.006 20 0 CGADHO CC(C)c1nc([C@@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000925802376 638618063 /nfs/dbraw/zinc/61/80/63/638618063.db2.gz FOGXXTFJUREQME-JHJVBQTASA-N 1 3 281.469 3.163 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1CCCO)N1CCCCC1 ZINC000926144338 638720743 /nfs/dbraw/zinc/72/07/43/638720743.db2.gz OPAVOSWUWZXNOS-FGTMMUONSA-N 1 3 296.499 3.172 20 0 CGADHO Cc1ccncc1CN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926526012 638781377 /nfs/dbraw/zinc/78/13/77/638781377.db2.gz QVDBMHVYPVZMDR-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000926737913 638805463 /nfs/dbraw/zinc/80/54/63/638805463.db2.gz HNKWCFFTXLWMOW-FMKPAKJESA-N 1 3 264.457 3.133 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1CC2CCC1CC2)c1cccnc1 ZINC000926901670 638823157 /nfs/dbraw/zinc/82/31/57/638823157.db2.gz SEACZANAKQVPJO-MUDYYLEHSA-N 1 3 287.451 3.243 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2CF)[C@H](C)C1 ZINC000930001445 638967531 /nfs/dbraw/zinc/96/75/31/638967531.db2.gz VDNVOBYICUKWLI-RHSMWYFYSA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2CF)[C@H](C)C1 ZINC000930001445 638967533 /nfs/dbraw/zinc/96/75/33/638967533.db2.gz VDNVOBYICUKWLI-RHSMWYFYSA-N 1 3 278.415 3.318 20 0 CGADHO C[NH+]1C[C@@]2(C)CN(CCCc3cccc(F)c3)C[C@]2(C)C1 ZINC000931311845 639133455 /nfs/dbraw/zinc/13/34/55/639133455.db2.gz QEKQEEVKTRHUBH-ROUUACIJSA-N 1 3 290.426 3.032 20 0 CGADHO C[C@@H](c1ccc(F)nc1)N(C)CCCC[NH+]1CCCCC1 ZINC000931702267 639192812 /nfs/dbraw/zinc/19/28/12/639192812.db2.gz AHCIPUQLCMXFJV-HNNXBMFYSA-N 1 3 293.430 3.480 20 0 CGADHO CC(C)(CC[NH+]1CCCCCC1)NC[C@@H]1CCC=CO1 ZINC000194722141 640550024 /nfs/dbraw/zinc/55/00/24/640550024.db2.gz KJRZIGFIFUSBMI-INIZCTEOSA-N 1 3 280.456 3.313 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(C2CCC3(CC3)CC2)CC1 ZINC001254449713 806402985 /nfs/dbraw/zinc/40/29/85/806402985.db2.gz UDJWFNLIIXHZFO-UHFFFAOYSA-N 1 3 285.435 3.235 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453588 806406198 /nfs/dbraw/zinc/40/61/98/806406198.db2.gz JWRRHKMZCIVYOY-SUMWQHHRSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC001254453588 806406203 /nfs/dbraw/zinc/40/62/03/806406203.db2.gz JWRRHKMZCIVYOY-SUMWQHHRSA-N 1 3 296.405 3.169 20 0 CGADHO CN1CCC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC001254507750 806427166 /nfs/dbraw/zinc/42/71/66/806427166.db2.gz CWCSNOQGRNEVQT-QGZVFWFLSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@@H+]1CCC[C@@H](NCc2cccc(C3CC3)c2)CC1 ZINC001254507750 806427171 /nfs/dbraw/zinc/42/71/71/806427171.db2.gz CWCSNOQGRNEVQT-QGZVFWFLSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@H+]1CCC[C@@H](NCc2cccc(C3CC3)c2)CC1 ZINC001254507750 806427177 /nfs/dbraw/zinc/42/71/77/806427177.db2.gz CWCSNOQGRNEVQT-QGZVFWFLSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@@H]1CCCCN1c1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162392120 806573124 /nfs/dbraw/zinc/57/31/24/806573124.db2.gz DTQNYFWUYJPENK-RBSFLKMASA-N 1 3 288.439 3.142 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(C2CCC(C)(C)CC2)CC1 ZINC001255308944 806603009 /nfs/dbraw/zinc/60/30/09/806603009.db2.gz MGHBXLVNDZTPSD-UHFFFAOYSA-N 1 3 287.451 3.481 20 0 CGADHO C[C@@H](CC(F)(F)F)N1C(C)(C)CC([NH3+])CC1(C)C ZINC001255634678 806686357 /nfs/dbraw/zinc/68/63/57/806686357.db2.gz CSMRHWGISIICNU-VIFPVBQESA-N 1 3 266.351 3.308 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC001255669154 806700274 /nfs/dbraw/zinc/70/02/74/806700274.db2.gz QTRKXCLGKPIQEY-WZYMTQMTSA-N 1 3 273.424 3.056 20 0 CGADHO CC(C)[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001255675195 806702696 /nfs/dbraw/zinc/70/26/96/806702696.db2.gz CYUYVZCSSJQMJB-HQSKLWIPSA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001255675195 806702703 /nfs/dbraw/zinc/70/27/03/806702703.db2.gz CYUYVZCSSJQMJB-HQSKLWIPSA-N 1 3 287.451 3.384 20 0 CGADHO Cc1ccc(CN(C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255680351 806703506 /nfs/dbraw/zinc/70/35/06/806703506.db2.gz PEKTYXJPJGCNRD-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1ccc(CN(C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255680351 806703510 /nfs/dbraw/zinc/70/35/10/806703510.db2.gz PEKTYXJPJGCNRD-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO CC(C)N(CCC[NH3+])[C@H](C)CSc1ccc(F)cc1 ZINC001255734458 806725803 /nfs/dbraw/zinc/72/58/03/806725803.db2.gz XHZRDSQRHNXCAE-CYBMUJFWSA-N 1 3 284.444 3.366 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H](C)CSc1ccc(F)cc1 ZINC001255734458 806725806 /nfs/dbraw/zinc/72/58/06/806725806.db2.gz XHZRDSQRHNXCAE-CYBMUJFWSA-N 1 3 284.444 3.366 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H](C)CSc1ccc(F)cc1 ZINC001255734458 806725811 /nfs/dbraw/zinc/72/58/11/806725811.db2.gz XHZRDSQRHNXCAE-CYBMUJFWSA-N 1 3 284.444 3.366 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)c2ccccc21 ZINC000423109553 799598357 /nfs/dbraw/zinc/59/83/57/799598357.db2.gz HQRLYRFPKWUGGZ-OLMNPRSZSA-N 1 3 294.398 3.115 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000693683645 799813549 /nfs/dbraw/zinc/81/35/49/799813549.db2.gz KDIUIAFCWDBGHH-QNWHQSFQSA-N 1 3 292.389 3.331 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+]CC[C@@H](C)N(C)C ZINC000697825032 799849856 /nfs/dbraw/zinc/84/98/56/799849856.db2.gz DUNYDRATQQYITI-GHMZBOCLSA-N 1 3 254.340 3.037 20 0 CGADHO CN(C1CC1)C1CC[NH+](C2CCCCCC2)CC1 ZINC001255893296 806786366 /nfs/dbraw/zinc/78/63/66/806786366.db2.gz HRCXNWRBKFVNQB-UHFFFAOYSA-N 1 3 250.430 3.268 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC001255941334 806790048 /nfs/dbraw/zinc/79/00/48/806790048.db2.gz ONYWVZUMLPTEQI-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccccc1F ZINC001255941347 806790286 /nfs/dbraw/zinc/79/02/86/806790286.db2.gz OUBYRMBUUKEVPU-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccccc1F ZINC001255941347 806790292 /nfs/dbraw/zinc/79/02/92/806790292.db2.gz OUBYRMBUUKEVPU-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC001255943548 806791697 /nfs/dbraw/zinc/79/16/97/806791697.db2.gz NXMHLTQKVMZHFZ-QGZVFWFLSA-N 1 3 291.483 3.223 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1C[C@@H]1c1ccccc1 ZINC001255946182 806792491 /nfs/dbraw/zinc/79/24/91/806792491.db2.gz RUQBSFRTRLQFEX-OIISXLGYSA-N 1 3 260.425 3.253 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001255953110 806796985 /nfs/dbraw/zinc/79/69/85/806796985.db2.gz WXFJJICHAWRZDY-LSDHHAIUSA-N 1 3 278.440 3.033 20 0 CGADHO CCN(CC)CC[C@H](C)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001255958090 806800010 /nfs/dbraw/zinc/80/00/10/806800010.db2.gz YNGBCYLXPSQVHZ-JYJNAYRXSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001255968441 806801545 /nfs/dbraw/zinc/80/15/45/806801545.db2.gz YNGBCYLXPSQVHZ-PMPSAXMXSA-N 1 3 252.446 3.229 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)CCN1 ZINC000714270798 800118129 /nfs/dbraw/zinc/11/81/29/800118129.db2.gz ZXZHRHJWYNHPIU-LVQVYYBASA-N 1 3 264.457 3.466 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000715253387 800132154 /nfs/dbraw/zinc/13/21/54/800132154.db2.gz BONJWNHSRIRUQE-RBSFLKMASA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716715513 800178517 /nfs/dbraw/zinc/17/85/17/800178517.db2.gz CIUNHLPCHVDAMN-RFZNHBKKSA-N 1 3 284.447 3.285 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716720975 800179486 /nfs/dbraw/zinc/17/94/86/800179486.db2.gz ZDMHTRKGAJWCDY-CBVHJVASSA-N 1 3 284.447 3.428 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCCC2)C[C@H]1C(F)(F)F ZINC000720806184 800267529 /nfs/dbraw/zinc/26/75/29/800267529.db2.gz PERFDWAWISKQGI-QWHCGFSZSA-N 1 3 278.362 3.026 20 0 CGADHO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](CC[NH3+])C1 ZINC000723692163 800338434 /nfs/dbraw/zinc/33/84/34/800338434.db2.gz XWALTEKCYHYIFF-GHMZBOCLSA-N 1 3 270.779 3.211 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925512280 800630651 /nfs/dbraw/zinc/63/06/51/800630651.db2.gz BVNXUFUYXKGOFF-HUUCEWRRSA-N 1 3 290.838 3.231 20 0 CGADHO CC(C)(C[NH2+]C1CCC(N2CCOCC2)CC1)CC1CC1 ZINC001256687573 806948351 /nfs/dbraw/zinc/94/83/51/806948351.db2.gz YVGDOFRVUZYCOV-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO NCc1c(F)cccc1N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256896802 806999840 /nfs/dbraw/zinc/99/98/40/806999840.db2.gz FFESBJWYKSMYRX-ZDUSSCGKSA-N 1 3 291.414 3.103 20 0 CGADHO NCc1c(F)cccc1N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896802 806999843 /nfs/dbraw/zinc/99/98/43/806999843.db2.gz FFESBJWYKSMYRX-ZDUSSCGKSA-N 1 3 291.414 3.103 20 0 CGADHO Fc1cc(/C=C/C2CC[NH2+]CC2)ccc1CN1CCCC1 ZINC001243896158 803066432 /nfs/dbraw/zinc/06/64/32/803066432.db2.gz GZQJOXZOESPECR-ONEGZZNKSA-N 1 3 288.410 3.434 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246065215 804106795 /nfs/dbraw/zinc/10/67/95/804106795.db2.gz KBMBYKOARJXUQT-APIJFGDWSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CCN1 ZINC001246063377 804107108 /nfs/dbraw/zinc/10/71/08/804107108.db2.gz BSKGREAOTYFDFM-CABCVRRESA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246092254 804124250 /nfs/dbraw/zinc/12/42/50/804124250.db2.gz OUEFLQFIWTUVGB-ULQDDVLXSA-N 1 3 278.415 3.078 20 0 CGADHO CC1(C[NH2+][C@H]2CCCC3(CCCCC3)C2)CNC1 ZINC001246096072 804128091 /nfs/dbraw/zinc/12/80/91/804128091.db2.gz SYXKOESOODYNTR-AWEZNQCLSA-N 1 3 250.430 3.079 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246096324 804128936 /nfs/dbraw/zinc/12/89/36/804128936.db2.gz MIBILLDEWFIHFO-OWCLPIDISA-N 1 3 292.492 3.453 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC001246099040 804132214 /nfs/dbraw/zinc/13/22/14/804132214.db2.gz LCOAAIPYBWDYRO-OWCLPIDISA-N 1 3 292.492 3.311 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100046 804133173 /nfs/dbraw/zinc/13/31/73/804133173.db2.gz NMKXIBVTJHHQLY-YNEHKIRRSA-N 1 3 298.833 3.245 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100044 804133472 /nfs/dbraw/zinc/13/34/72/804133472.db2.gz NMKXIBVTJHHQLY-XQQFMLRXSA-N 1 3 298.833 3.245 20 0 CGADHO CCn1ccc2c1cccc2CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001139156384 804142753 /nfs/dbraw/zinc/14/27/53/804142753.db2.gz AWBIBCQZZZDACN-LJQANCHMSA-N 1 3 297.446 3.189 20 0 CGADHO CCn1ccc2c1cccc2CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001139156384 804142762 /nfs/dbraw/zinc/14/27/62/804142762.db2.gz AWBIBCQZZZDACN-LJQANCHMSA-N 1 3 297.446 3.189 20 0 CGADHO CCC1CCC(NC[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246116975 804147807 /nfs/dbraw/zinc/14/78/07/804147807.db2.gz YBLRSBLNRMFCCW-YMAMQOFZSA-N 1 3 256.409 3.027 20 0 CGADHO C[C@H]1CNC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246116467 804148020 /nfs/dbraw/zinc/14/80/20/804148020.db2.gz MPDMGEKZFRFJDY-DZGCQCFKSA-N 1 3 250.430 3.077 20 0 CGADHO CCCCC[C@H](CC)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246116756 804148531 /nfs/dbraw/zinc/14/85/31/804148531.db2.gz WPELWVZTLICHOO-STQMWFEESA-N 1 3 280.378 3.477 20 0 CGADHO CCCC1CCC(NC[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246117014 804148566 /nfs/dbraw/zinc/14/85/66/804148566.db2.gz YQGHGWOKCWPENH-UYSNPLJNSA-N 1 3 270.436 3.417 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@]1(F)CCNC1 ZINC001246138735 804161998 /nfs/dbraw/zinc/16/19/98/804161998.db2.gz BTUGIIDEWXIIGS-SJORKVTESA-N 1 3 278.415 3.079 20 0 CGADHO CCCCCC(CCCCC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246138441 804162029 /nfs/dbraw/zinc/16/20/29/804162029.db2.gz MIWIURJFMNVMDG-QGZVFWFLSA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC(CCCCC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246138441 804162034 /nfs/dbraw/zinc/16/20/34/804162034.db2.gz MIWIURJFMNVMDG-QGZVFWFLSA-N 1 3 296.499 3.484 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCN ZINC001246151955 804170940 /nfs/dbraw/zinc/17/09/40/804170940.db2.gz HNYTUTCVXCUQMV-JTQLQIEISA-N 1 3 275.223 3.253 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2ccccc2Cl)CC[NH2+]1 ZINC001246154677 804172391 /nfs/dbraw/zinc/17/23/91/804172391.db2.gz BPQDKUIPVOPWCT-ZBFHGGJFSA-N 1 3 280.843 3.249 20 0 CGADHO Cc1ccc(F)c(CNC2CCC3(CC[NH2+]C3)CC2)c1F ZINC001246164489 804181205 /nfs/dbraw/zinc/18/12/05/804181205.db2.gz VDEDHSRORIFPOG-UHFFFAOYSA-N 1 3 294.389 3.285 20 0 CGADHO C([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)C12CC3CC(CC(C3)C1)C2 ZINC001246173226 804187601 /nfs/dbraw/zinc/18/76/01/804187601.db2.gz RKUNNABMOAZVPN-AJTJSFGISA-N 1 3 288.479 3.466 20 0 CGADHO CC[C@H]1C[C@@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246177288 804191249 /nfs/dbraw/zinc/19/12/49/804191249.db2.gz IHPLIQCXAMRCCY-GJZGRUSLSA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)CCN1 ZINC001246177288 804191253 /nfs/dbraw/zinc/19/12/53/804191253.db2.gz IHPLIQCXAMRCCY-GJZGRUSLSA-N 1 3 296.842 3.229 20 0 CGADHO c1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)cc1 ZINC001246180024 804193390 /nfs/dbraw/zinc/19/33/90/804193390.db2.gz OHYDDXKTARTQJZ-SJPCQFCGSA-N 1 3 270.420 3.329 20 0 CGADHO C[C@]1(N[C@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246188158 804198430 /nfs/dbraw/zinc/19/84/30/804198430.db2.gz HSLJDFOPQKEYJO-SQNIBIBYSA-N 1 3 272.436 3.445 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC001246213163 804210795 /nfs/dbraw/zinc/21/07/95/804210795.db2.gz ZEMDFGXKHBTJSS-JQHSSLGASA-N 1 3 274.452 3.376 20 0 CGADHO CC[C@@H]1CC(N[C@H](CO)CC2CCCCC2)C[C@@H](CC)[NH2+]1 ZINC001246229507 804221721 /nfs/dbraw/zinc/22/17/21/804221721.db2.gz JUPGOJQTSNMHBI-NUJGCVRESA-N 1 3 296.499 3.217 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CN ZINC001246252271 804237993 /nfs/dbraw/zinc/23/79/93/804237993.db2.gz UVYCMHVGUNBGSA-INIZCTEOSA-N 1 3 262.441 3.362 20 0 CGADHO CC(C)(CN)C[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246252862 804238919 /nfs/dbraw/zinc/23/89/19/804238919.db2.gz XSLPXYDBXLWFRP-AWEZNQCLSA-N 1 3 252.446 3.454 20 0 CGADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246266869 804246246 /nfs/dbraw/zinc/24/62/46/804246246.db2.gz SWXOOJLKZHZMJM-AJNGGQMLSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246268938 804248310 /nfs/dbraw/zinc/24/83/10/804248310.db2.gz BPGQDNDEWULHON-DOMZBBRYSA-N 1 3 280.843 3.391 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC1(C[NH3+])CCCC1 ZINC001246287420 804259567 /nfs/dbraw/zinc/25/95/67/804259567.db2.gz OAPUBNYJRYZZOA-NSHDSACASA-N 1 3 284.806 3.271 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+][C@@]1(CCO)CCNC1 ZINC001246295514 804263811 /nfs/dbraw/zinc/26/38/11/804263811.db2.gz OTAAPPKQZDKSKX-IAGOWNOFSA-N 1 3 284.488 3.220 20 0 CGADHO C[C@H](CC[NH3+])N[C@H](C)CSc1ccc(Cl)cc1 ZINC001246300430 804267176 /nfs/dbraw/zinc/26/71/76/804267176.db2.gz NVYIZERQDHMZDB-GHMZBOCLSA-N 1 3 272.845 3.148 20 0 CGADHO CC[C@@H]([NH3+])CCN[C@@H](C)CSc1ccc(F)cc1 ZINC001246307782 804272255 /nfs/dbraw/zinc/27/22/55/804272255.db2.gz OONUHINYAKHKTG-WCQYABFASA-N 1 3 270.417 3.023 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[C@@H]1[NH3+] ZINC001246310884 804272641 /nfs/dbraw/zinc/27/26/41/804272641.db2.gz OITYYIYWMUMDHI-BPNCWPANSA-N 1 3 286.341 3.106 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CCN1 ZINC001246324329 804281729 /nfs/dbraw/zinc/28/17/29/804281729.db2.gz GWRKTALGQGZNLC-PUNHEFHTSA-N 1 3 284.447 3.299 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N[C@H]1C[NH2+]CCC1(C)C ZINC001246329065 804283755 /nfs/dbraw/zinc/28/37/55/804283755.db2.gz LIMUHHQDMWDTKU-IRXDYDNUSA-N 1 3 274.452 3.376 20 0 CGADHO CCC[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]CCC1(C)C ZINC001246329064 804284314 /nfs/dbraw/zinc/28/43/14/804284314.db2.gz LIMUHHQDMWDTKU-IAGOWNOFSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC001246333994 804288975 /nfs/dbraw/zinc/28/89/75/804288975.db2.gz TYGUKZDETDTMBY-BXUZGUMPSA-N 1 3 286.872 3.394 20 0 CGADHO CC[C@@H](C)C1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246338085 804293267 /nfs/dbraw/zinc/29/32/67/804293267.db2.gz HPGVYNCAXUVELD-HRMROMONSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC001246344693 804295613 /nfs/dbraw/zinc/29/56/13/804295613.db2.gz RQGWUJOQWVCYRX-JLVBRIDZSA-N 1 3 274.452 3.471 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCNCC1(C)C ZINC001246375562 804310049 /nfs/dbraw/zinc/31/00/49/804310049.db2.gz JMXQLWCSMRSHPH-OAHLLOKOSA-N 1 3 254.462 3.425 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246378562 804311328 /nfs/dbraw/zinc/31/13/28/804311328.db2.gz WYSKJBXHKQMUFZ-CJNGLKHVSA-N 1 3 292.854 3.175 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246387544 804317208 /nfs/dbraw/zinc/31/72/08/804317208.db2.gz HDEUFVQCWVROBB-DLBZAZTESA-N 1 3 290.426 3.269 20 0 CGADHO Fc1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC001246394683 804320312 /nfs/dbraw/zinc/32/03/12/804320312.db2.gz SXGBANKGINDYBS-SJPCQFCGSA-N 1 3 288.410 3.164 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411978 804325268 /nfs/dbraw/zinc/32/52/68/804325268.db2.gz HPMASLZYJUNZTO-CJNGLKHVSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246432528 804330670 /nfs/dbraw/zinc/33/06/70/804330670.db2.gz NKGUPKHKAAAPNY-CJNGLKHVSA-N 1 3 278.415 3.125 20 0 CGADHO Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246432981 804331823 /nfs/dbraw/zinc/33/18/23/804331823.db2.gz HGPPSVSKBYOTSJ-NVXWUHKLSA-N 1 3 274.452 3.294 20 0 CGADHO C[C@H]1CCC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246458746 804339301 /nfs/dbraw/zinc/33/93/01/804339301.db2.gz BQOGZRMYVWZXJN-CWRNSKLLSA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@@]1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246459869 804339783 /nfs/dbraw/zinc/33/97/83/804339783.db2.gz HQKYWPHCJCJOKT-AGIUHOORSA-N 1 3 278.362 3.229 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246467659 804345907 /nfs/dbraw/zinc/34/59/07/804345907.db2.gz ZMKVLRCFAFVQRN-LUKYLMHMSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246467659 804345916 /nfs/dbraw/zinc/34/59/16/804345916.db2.gz ZMKVLRCFAFVQRN-LUKYLMHMSA-N 1 3 258.409 3.182 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246465193 804346238 /nfs/dbraw/zinc/34/62/38/804346238.db2.gz JTWGKLDLKYQRPV-IAGOWNOFSA-N 1 3 284.447 3.371 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCNCC12CC2 ZINC001246474494 804350390 /nfs/dbraw/zinc/35/03/90/804350390.db2.gz QHDFBEMOIDPMIQ-ABAIWWIYSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[NH2+]CC12CC2 ZINC001246474494 804350398 /nfs/dbraw/zinc/35/03/98/804350398.db2.gz QHDFBEMOIDPMIQ-ABAIWWIYSA-N 1 3 296.817 3.142 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+][C@H]1CCNCC12CC2 ZINC001246475124 804351973 /nfs/dbraw/zinc/35/19/73/804351973.db2.gz RXHMZLRCRMWJLP-CABCVRRESA-N 1 3 252.446 3.323 20 0 CGADHO C1CC12CNCC[C@@H]2[NH2+]C1CCC2(CCCC2)CC1 ZINC001246475183 804352761 /nfs/dbraw/zinc/35/27/61/804352761.db2.gz SGEVNDBODODLMW-HNNXBMFYSA-N 1 3 262.441 3.221 20 0 CGADHO C[C@@H]1CC[C@H](NCCCCC2CCCCC2)C[NH2+]1 ZINC001246480229 804354472 /nfs/dbraw/zinc/35/44/72/804354472.db2.gz WRCUQMJRLXMNOI-ZBFHGGJFSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCN[C@H](CC)C1)C1CCCCC1 ZINC001246491081 804358380 /nfs/dbraw/zinc/35/83/80/804358380.db2.gz SJSDTUOMBXNIEQ-PMPSAXMXSA-N 1 3 252.446 3.466 20 0 CGADHO [NH3+]C1(CN[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001246509894 804366890 /nfs/dbraw/zinc/36/68/90/804366890.db2.gz KGPSRIXOVUDERV-LBPRGKRZSA-N 1 3 299.245 3.322 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+][C@H](C2CCC2)C2CNC2)cc1 ZINC001246513906 804369524 /nfs/dbraw/zinc/36/95/24/804369524.db2.gz FYPHDQXCQXHIPR-AUUYWEPGSA-N 1 3 286.463 3.158 20 0 CGADHO CN(CCc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246517638 804371359 /nfs/dbraw/zinc/37/13/59/804371359.db2.gz ALFQBXGWWXKOQL-IAGOWNOFSA-N 1 3 274.452 3.328 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+][C@@H](C(C)C)C2CNC2)cc1 ZINC001246517950 804371776 /nfs/dbraw/zinc/37/17/76/804371776.db2.gz NVZXLVLLKBQFEK-KDOFPFPSSA-N 1 3 274.452 3.014 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246544693 804393037 /nfs/dbraw/zinc/39/30/37/804393037.db2.gz RYDYRBUSHPOTDC-MWQQHZPXSA-N 1 3 258.409 3.134 20 0 CGADHO C[C@@H]1CCN([C@@H]2CCc3c(Cl)cccc3C2)C[C@@H]1C[NH3+] ZINC001246551336 804399979 /nfs/dbraw/zinc/39/99/79/804399979.db2.gz MAVHWXUNOIROPA-VHDGCEQUSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC[C@](C)([NH3+])CC1 ZINC001246552397 804402654 /nfs/dbraw/zinc/40/26/54/804402654.db2.gz OGHCSVNBQHVOAE-CJNGLKHVSA-N 1 3 280.843 3.474 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C)C1 ZINC001246559722 804407398 /nfs/dbraw/zinc/40/73/98/804407398.db2.gz PPXSYPWEGSHXGA-RDJZCZTQSA-N 1 3 260.425 3.285 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](C)C1 ZINC001246559722 804407402 /nfs/dbraw/zinc/40/74/02/804407402.db2.gz PPXSYPWEGSHXGA-RDJZCZTQSA-N 1 3 260.425 3.285 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559419 804408246 /nfs/dbraw/zinc/40/82/46/804408246.db2.gz BCZTWGKNJNCMCB-NRSFXHEJSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559419 804408248 /nfs/dbraw/zinc/40/82/48/804408248.db2.gz BCZTWGKNJNCMCB-NRSFXHEJSA-N 1 3 272.436 3.382 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563774 804411223 /nfs/dbraw/zinc/41/12/23/804411223.db2.gz BYJILGJRWJIIOR-DZKIICNBSA-N 1 3 270.436 3.367 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246563774 804411227 /nfs/dbraw/zinc/41/12/27/804411227.db2.gz BYJILGJRWJIIOR-DZKIICNBSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586326 804430215 /nfs/dbraw/zinc/43/02/15/804430215.db2.gz TTWGCIWFWAGDOA-RHSMWYFYSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@]1(CN)CCCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001246586326 804430223 /nfs/dbraw/zinc/43/02/23/804430223.db2.gz TTWGCIWFWAGDOA-RHSMWYFYSA-N 1 3 292.854 3.258 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC(CC)CC2)CCN1 ZINC001246586513 804430479 /nfs/dbraw/zinc/43/04/79/804430479.db2.gz BNEUBMJOQSWAQA-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCC[C@H](C)CC2)C[C@@H](CC)N1 ZINC001246588773 804430970 /nfs/dbraw/zinc/43/09/70/804430970.db2.gz AMHHWUKPUXPYBD-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCC[C@H](C)CC2)C[C@@H](CC)N1 ZINC001246588773 804430974 /nfs/dbraw/zinc/43/09/74/804430974.db2.gz AMHHWUKPUXPYBD-RRFJBIMHSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246588429 804432393 /nfs/dbraw/zinc/43/23/93/804432393.db2.gz ZFTWZPNZFASABZ-RHSMWYFYSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246588429 804432396 /nfs/dbraw/zinc/43/23/96/804432396.db2.gz ZFTWZPNZFASABZ-RHSMWYFYSA-N 1 3 278.415 3.208 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246601917 804438900 /nfs/dbraw/zinc/43/89/00/804438900.db2.gz HXSGJMYCGJTRLT-OALUTQOASA-N 1 3 286.463 3.473 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246601917 804438901 /nfs/dbraw/zinc/43/89/01/804438901.db2.gz HXSGJMYCGJTRLT-OALUTQOASA-N 1 3 286.463 3.473 20 0 CGADHO CCCC[C@@H](CC(C)C)N1CCC[C@]2(CC[NH2+]2)C1 ZINC001246606807 804441761 /nfs/dbraw/zinc/44/17/61/804441761.db2.gz BXUJUPNVSXJARF-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001246610428 804444597 /nfs/dbraw/zinc/44/45/97/804444597.db2.gz QXVSTOBRSSWGIS-MJGOQNOKSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC001246610428 804444601 /nfs/dbraw/zinc/44/46/01/804444601.db2.gz QXVSTOBRSSWGIS-MJGOQNOKSA-N 1 3 286.463 3.392 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246613357 804447210 /nfs/dbraw/zinc/44/72/10/804447210.db2.gz YFLPTOAVGXQNPY-OALUTQOASA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246613357 804447216 /nfs/dbraw/zinc/44/72/16/804447216.db2.gz YFLPTOAVGXQNPY-OALUTQOASA-N 1 3 284.447 3.070 20 0 CGADHO CC(C)CC(CC(C)C)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246615807 804450367 /nfs/dbraw/zinc/45/03/67/804450367.db2.gz VVBACBNMIGFKMR-INIZCTEOSA-N 1 3 252.446 3.275 20 0 CGADHO CCCCCC[C@@H](CCC)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246620260 804453313 /nfs/dbraw/zinc/45/33/13/804453313.db2.gz XGBUNGCVJTYWHG-SQNIBIBYSA-N 1 3 295.515 3.151 20 0 CGADHO CCCCCC[C@@H](CCC)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246620260 804453317 /nfs/dbraw/zinc/45/33/17/804453317.db2.gz XGBUNGCVJTYWHG-SQNIBIBYSA-N 1 3 295.515 3.151 20 0 CGADHO CC1(C)CCC[C@@H](N2CCC[C@]3(CCC[NH2+]3)C2)C1 ZINC001246623463 804455276 /nfs/dbraw/zinc/45/52/76/804455276.db2.gz TXNCGBLCRCESDW-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO C1C[C@@H]2[C@H](CCN2[C@H]2CCCC3(CCCCC3)C2)[NH2+]1 ZINC001246640911 804467062 /nfs/dbraw/zinc/46/70/62/804467062.db2.gz HPDCCPKOPMDTGP-HRCADAONSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@H](CC[N@@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246640911 804467063 /nfs/dbraw/zinc/46/70/63/804467063.db2.gz HPDCCPKOPMDTGP-HRCADAONSA-N 1 3 262.441 3.316 20 0 CGADHO C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCCC3(CCCCC3)C2)N1 ZINC001246640911 804467064 /nfs/dbraw/zinc/46/70/64/804467064.db2.gz HPDCCPKOPMDTGP-HRCADAONSA-N 1 3 262.441 3.316 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC12CCNCC2 ZINC001246642187 804468775 /nfs/dbraw/zinc/46/87/75/804468775.db2.gz LAZOMRWTFAJDCW-QGZVFWFLSA-N 1 3 272.436 3.226 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC12CCNCC2 ZINC001246642187 804468778 /nfs/dbraw/zinc/46/87/78/804468778.db2.gz LAZOMRWTFAJDCW-QGZVFWFLSA-N 1 3 272.436 3.226 20 0 CGADHO CCCCCC(CCCCC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246660699 804484017 /nfs/dbraw/zinc/48/40/17/804484017.db2.gz JBXOQBXDRVVJKR-MUJYYYPQSA-N 1 3 252.446 3.405 20 0 CGADHO CCCCCC(CCCCC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246660699 804484023 /nfs/dbraw/zinc/48/40/23/804484023.db2.gz JBXOQBXDRVVJKR-MUJYYYPQSA-N 1 3 252.446 3.405 20 0 CGADHO C[C@H](CC1CC1)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246669965 804487935 /nfs/dbraw/zinc/48/79/35/804487935.db2.gz AVZWARCFXINJRD-AHRSYUTCSA-N 1 3 298.474 3.428 20 0 CGADHO C[C@H](CC1CC1)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246669965 804487938 /nfs/dbraw/zinc/48/79/38/804487938.db2.gz AVZWARCFXINJRD-AHRSYUTCSA-N 1 3 298.474 3.428 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246680781 804494407 /nfs/dbraw/zinc/49/44/07/804494407.db2.gz LFNOGNJVSJIVHA-UXLLHSPISA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246680781 804494412 /nfs/dbraw/zinc/49/44/12/804494412.db2.gz LFNOGNJVSJIVHA-UXLLHSPISA-N 1 3 258.409 3.272 20 0 CGADHO CCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246685742 804496145 /nfs/dbraw/zinc/49/61/45/804496145.db2.gz BDWBTAIPRRMSPZ-XHSDSOJGSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246685742 804496148 /nfs/dbraw/zinc/49/61/48/804496148.db2.gz BDWBTAIPRRMSPZ-XHSDSOJGSA-N 1 3 270.436 3.369 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@@H](CF)[C@H](C2(N)CC2)C1 ZINC001246687023 804496358 /nfs/dbraw/zinc/49/63/58/804496358.db2.gz CNFNCBTZZDKXNH-GDBMZVCRSA-N 1 3 284.463 3.456 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1C[C@@H](CF)[C@H](C2(N)CC2)C1 ZINC001246687023 804496361 /nfs/dbraw/zinc/49/63/61/804496361.db2.gz CNFNCBTZZDKXNH-GDBMZVCRSA-N 1 3 284.463 3.456 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773627 804503905 /nfs/dbraw/zinc/50/39/05/804503905.db2.gz BVVVPSIVUFGVFK-NJAFHUGGSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246773627 804503908 /nfs/dbraw/zinc/50/39/08/804503908.db2.gz BVVVPSIVUFGVFK-NJAFHUGGSA-N 1 3 272.436 3.082 20 0 CGADHO c1ccc([C@H]2CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246773327 804504697 /nfs/dbraw/zinc/50/46/97/804504697.db2.gz APSJZWQIGSRARI-XNHLSEOASA-N 1 3 270.420 3.149 20 0 CGADHO COc1ccccc1[C@@H]1CCCN1C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246791074 804512991 /nfs/dbraw/zinc/51/29/91/804512991.db2.gz JEELNKAYQWBSFF-ZQIUZPCESA-N 1 3 288.435 3.361 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246794465 804516958 /nfs/dbraw/zinc/51/69/58/804516958.db2.gz ZUQSFZGTCBKTSR-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246794465 804516963 /nfs/dbraw/zinc/51/69/63/804516963.db2.gz ZUQSFZGTCBKTSR-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246794465 804516967 /nfs/dbraw/zinc/51/69/67/804516967.db2.gz ZUQSFZGTCBKTSR-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246794449 804517755 /nfs/dbraw/zinc/51/77/55/804517755.db2.gz ZTJWZBWVBSIJBM-SFHVURJKSA-N 1 3 286.463 3.329 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246794449 804517760 /nfs/dbraw/zinc/51/77/60/804517760.db2.gz ZTJWZBWVBSIJBM-SFHVURJKSA-N 1 3 286.463 3.329 20 0 CGADHO C[N@H+](CCc1ccc(Cl)cc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246815257 804531762 /nfs/dbraw/zinc/53/17/62/804531762.db2.gz WTHCGZHLSBAWDN-MRXNPFEDSA-N 1 3 292.854 3.489 20 0 CGADHO C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CCNC2(CCC2)C1 ZINC001246815257 804531767 /nfs/dbraw/zinc/53/17/67/804531767.db2.gz WTHCGZHLSBAWDN-MRXNPFEDSA-N 1 3 292.854 3.489 20 0 CGADHO CN(CCc1ccc(F)cc1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246825594 804538611 /nfs/dbraw/zinc/53/86/11/804538611.db2.gz VVIHICFFAPZNNZ-SJORKVTESA-N 1 3 292.442 3.467 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246844204 804551791 /nfs/dbraw/zinc/55/17/91/804551791.db2.gz HHTGJGGCMMJEGF-KBPBESRZSA-N 1 3 278.827 3.011 20 0 CGADHO C[N@H+](CCC1CC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246864588 804567901 /nfs/dbraw/zinc/56/79/01/804567901.db2.gz UKRKJKCFHBDTGU-OAHLLOKOSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@@H+](CCC1CC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246864588 804567903 /nfs/dbraw/zinc/56/79/03/804567903.db2.gz UKRKJKCFHBDTGU-OAHLLOKOSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH+]2CCCCCCCC2)CCN1 ZINC001246918447 804598733 /nfs/dbraw/zinc/59/87/33/804598733.db2.gz FJULUABYEZOCFH-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246917728 804599020 /nfs/dbraw/zinc/59/90/20/804599020.db2.gz SMBIXBWNCUTSCM-XUWVNRHRSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246917728 804599022 /nfs/dbraw/zinc/59/90/22/804599022.db2.gz SMBIXBWNCUTSCM-XUWVNRHRSA-N 1 3 252.446 3.275 20 0 CGADHO CCSC[C@@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246940340 804609850 /nfs/dbraw/zinc/60/98/50/804609850.db2.gz WIYOHRXXFFDCSA-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO CCSC[C@@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246940340 804609853 /nfs/dbraw/zinc/60/98/53/804609853.db2.gz WIYOHRXXFFDCSA-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941939 804611889 /nfs/dbraw/zinc/61/18/89/804611889.db2.gz MRYLMGRVSPHQNY-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941939 804611891 /nfs/dbraw/zinc/61/18/91/804611891.db2.gz MRYLMGRVSPHQNY-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941941 804612630 /nfs/dbraw/zinc/61/26/30/804612630.db2.gz MRYLMGRVSPHQNY-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941941 804612635 /nfs/dbraw/zinc/61/26/35/804612635.db2.gz MRYLMGRVSPHQNY-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(C)(c2ccccc2)CC1 ZINC001246947532 804614396 /nfs/dbraw/zinc/61/43/96/804614396.db2.gz ZQVXZJFUWOHWPE-OAHLLOKOSA-N 1 3 260.425 3.038 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001247015257 804643250 /nfs/dbraw/zinc/64/32/50/804643250.db2.gz NQLWBJCUBVLSMJ-YTQUADARSA-N 1 3 286.463 3.390 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H](CC[NH+](C)C)c2ccccc2)C[C@H](C)O1 ZINC001257073804 807042569 /nfs/dbraw/zinc/04/25/69/807042569.db2.gz VOHHOYKTJLIGHD-MVJTYMMSSA-N 1 3 290.451 3.225 20 0 CGADHO c1cc(NC2=CC[C@@H](N3CCOCC3)CC2)cc(C2CC2)[nH+]1 ZINC001249554579 805175941 /nfs/dbraw/zinc/17/59/41/805175941.db2.gz IXNJNNHLYFYZEU-QGZVFWFLSA-N 1 3 299.418 3.140 20 0 CGADHO CCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001257310263 807100185 /nfs/dbraw/zinc/10/01/85/807100185.db2.gz ALWOETHSOQKJOP-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167913675 807272485 /nfs/dbraw/zinc/27/24/85/807272485.db2.gz PUJASZVTEZHRJD-QLPKVWCKSA-N 1 3 262.441 3.029 20 0 CGADHO c1ccc(CN2CC3(C2)CC[NH+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001167952290 807281291 /nfs/dbraw/zinc/28/12/91/807281291.db2.gz NLEGMYDMWCFBPZ-REPLKXPHSA-N 1 3 296.458 3.383 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258073714 807291203 /nfs/dbraw/zinc/29/12/03/807291203.db2.gz FLQJLLSPLUWJKQ-HOTGVXAUSA-N 1 3 266.473 3.475 20 0 CGADHO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168362639 807393789 /nfs/dbraw/zinc/39/37/89/807393789.db2.gz ADOSCGFCAAUHLT-SFHVURJKSA-N 1 3 288.410 3.277 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168402076 807406279 /nfs/dbraw/zinc/40/62/79/807406279.db2.gz XYXGFFNHGMXEGC-SFHVURJKSA-N 1 3 292.442 3.395 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168413740 807409255 /nfs/dbraw/zinc/40/92/55/807409255.db2.gz AFFRZYGMUNVREO-RCCFBDPRSA-N 1 3 290.426 3.145 20 0 CGADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccncc1-c1ccccc1 ZINC001168601513 807453796 /nfs/dbraw/zinc/45/37/96/807453796.db2.gz SGGANBRXMLIFEM-OALUTQOASA-N 1 3 295.430 3.455 20 0 CGADHO C[C@H](CC1CC1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001258447710 807455902 /nfs/dbraw/zinc/45/59/02/807455902.db2.gz VYEBKAHNROVSMC-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H](C)Cc2cccnc2)CC1 ZINC001258615766 807511216 /nfs/dbraw/zinc/51/12/16/807511216.db2.gz PAKSNYVCOMUKFB-OAHLLOKOSA-N 1 3 289.467 3.255 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@H](C)Cc2cccnc2)CC1 ZINC001258615766 807511220 /nfs/dbraw/zinc/51/12/20/807511220.db2.gz PAKSNYVCOMUKFB-OAHLLOKOSA-N 1 3 289.467 3.255 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]CCCN1CCCC1 ZINC001258649276 807521974 /nfs/dbraw/zinc/52/19/74/807521974.db2.gz YOTHIOWXVHAODD-GOSISDBHSA-N 1 3 274.452 3.473 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)C2 ZINC001169078818 807567883 /nfs/dbraw/zinc/56/78/83/807567883.db2.gz HNBRQKBYKDBLAT-ZSOGYDGISA-N 1 3 296.361 3.003 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C1CC1)C2 ZINC001169091862 807571523 /nfs/dbraw/zinc/57/15/23/807571523.db2.gz WNPDYNAPHPJRDP-BJWYYQGGSA-N 1 3 270.420 3.279 20 0 CGADHO Cc1ccc(C(C)(C)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169099168 807576009 /nfs/dbraw/zinc/57/60/09/807576009.db2.gz OJTBQQIRBDRSGJ-OSYLJGHBSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc(C(C)(C)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099168 807576013 /nfs/dbraw/zinc/57/60/13/807576013.db2.gz OJTBQQIRBDRSGJ-OSYLJGHBSA-N 1 3 272.436 3.445 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3ccccc3)CCC1)C2 ZINC001169109176 807577545 /nfs/dbraw/zinc/57/75/45/807577545.db2.gz ZJNRHPMLKPLDJV-OSYLJGHBSA-N 1 3 270.420 3.281 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(c3ccccc3)CCC1)C2 ZINC001169109176 807577549 /nfs/dbraw/zinc/57/75/49/807577549.db2.gz ZJNRHPMLKPLDJV-OSYLJGHBSA-N 1 3 270.420 3.281 20 0 CGADHO Cc1ccccc1C(C)(C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169118734 807583276 /nfs/dbraw/zinc/58/32/76/807583276.db2.gz MLHQEDXFTDQRCC-PHZGNYQRSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccccc1C(C)(C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169118734 807583281 /nfs/dbraw/zinc/58/32/81/807583281.db2.gz MLHQEDXFTDQRCC-PHZGNYQRSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CC2(C1)CC[NH+](C)CC2 ZINC001258751947 807594182 /nfs/dbraw/zinc/59/41/82/807594182.db2.gz XZUOLBFYMFNUNX-CQSZACIVSA-N 1 3 292.854 3.299 20 0 CGADHO CCC[NH+]1CCC(N2CCC3(CCC(=O)CC3)CC2)CC1 ZINC001258775761 807606378 /nfs/dbraw/zinc/60/63/78/807606378.db2.gz CVMREHJMQIHADN-UHFFFAOYSA-N 1 3 292.467 3.086 20 0 CGADHO CC[NH+]1CCC(N2CCC[C@H]2c2ccccc2OC)CC1 ZINC001169258360 807616674 /nfs/dbraw/zinc/61/66/74/807616674.db2.gz JRLQAJHDLIRKPT-KRWDZBQOSA-N 1 3 288.435 3.316 20 0 CGADHO CCC[N@H+](CCCN)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170897200 807928233 /nfs/dbraw/zinc/92/82/33/807928233.db2.gz MJQPOFNLHFWOOB-AWEZNQCLSA-N 1 3 280.843 3.258 20 0 CGADHO CCC[N@@H+](CCCN)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170897200 807928238 /nfs/dbraw/zinc/92/82/38/807928238.db2.gz MJQPOFNLHFWOOB-AWEZNQCLSA-N 1 3 280.843 3.258 20 0 CGADHO Clc1ccc2c(c1)CC[C@H]([NH2+]CCCN1CCCC1)C2 ZINC001171091973 807981627 /nfs/dbraw/zinc/98/16/27/807981627.db2.gz TVVYGPCOKLFNRG-KRWDZBQOSA-N 1 3 292.854 3.273 20 0 CGADHO CN1C(C)(C)CC([NH2+]C2(C3CCOCC3)CC2)CC1(C)C ZINC001171620648 808105930 /nfs/dbraw/zinc/10/59/30/808105930.db2.gz BJCFZFQRTCQKAL-UHFFFAOYSA-N 1 3 294.483 3.187 20 0 CGADHO CN1C(C)(C)CC([NH2+]CC2(C)CCC2)CC1(C)C ZINC001171621613 808106627 /nfs/dbraw/zinc/10/66/27/808106627.db2.gz OCXKYRSZPJDGKI-UHFFFAOYSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccnc([C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172102415 808174185 /nfs/dbraw/zinc/17/41/85/808174185.db2.gz MSBCXMGMYWHSPB-FPCVCCKLSA-N 1 3 273.424 3.056 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC001172106898 808176164 /nfs/dbraw/zinc/17/61/64/808176164.db2.gz QTRKXCLGKPIQEY-LVQVYYBASA-N 1 3 273.424 3.056 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)nc1 ZINC001172105380 808177047 /nfs/dbraw/zinc/17/70/47/808177047.db2.gz HXJZOPYEELMTDS-YHUYYLMFSA-N 1 3 273.424 3.056 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3cc(F)ccc31)C2 ZINC001172113007 808181359 /nfs/dbraw/zinc/18/13/59/808181359.db2.gz BRICJSVDOKUHPT-DFGXFYAUSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3cc(F)ccc31)C2 ZINC001172113007 808181363 /nfs/dbraw/zinc/18/13/63/808181363.db2.gz BRICJSVDOKUHPT-DFGXFYAUSA-N 1 3 288.410 3.418 20 0 CGADHO Cc1cncc([C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114026 808181394 /nfs/dbraw/zinc/18/13/94/808181394.db2.gz ODCDCOLNEWIIJV-AKHDSKFASA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cncc([C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114026 808181397 /nfs/dbraw/zinc/18/13/97/808181397.db2.gz ODCDCOLNEWIIJV-AKHDSKFASA-N 1 3 299.462 3.446 20 0 CGADHO CCOCC[C@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001172408374 808296291 /nfs/dbraw/zinc/29/62/91/808296291.db2.gz IBXLRUYWLGCDMY-DOTOQJQBSA-N 1 3 278.440 3.084 20 0 CGADHO CCOCC[C@@H](C)[NH2+]C1CCN(C(CC)CC)CC1 ZINC001172413264 808298774 /nfs/dbraw/zinc/29/87/74/808298774.db2.gz AEHKSPKMIZWLAH-CQSZACIVSA-N 1 3 270.461 3.044 20 0 CGADHO CC[NH+](CC)C1CCC(N2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001173110341 808513134 /nfs/dbraw/zinc/51/31/34/808513134.db2.gz RVEVRJIGFSSACZ-CKUJCDMFSA-N 1 3 288.426 3.411 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCc1c[nH]c3ccccc13)C2 ZINC001278166457 809117203 /nfs/dbraw/zinc/11/72/03/809117203.db2.gz GDWLTHUCPZDMAH-IBGZPJMESA-N 1 3 297.446 3.128 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CCc1c[nH]c3ccccc13)C2 ZINC001278166457 809117207 /nfs/dbraw/zinc/11/72/07/809117207.db2.gz GDWLTHUCPZDMAH-IBGZPJMESA-N 1 3 297.446 3.128 20 0 CGADHO CC(C)P(CCNC(=O)CCCC[NH+](C)C)C(C)C ZINC001184061327 810176618 /nfs/dbraw/zinc/17/66/18/810176618.db2.gz KZHXDWYXSYMADC-UHFFFAOYSA-N 1 3 288.416 3.133 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC001184418426 810198419 /nfs/dbraw/zinc/19/84/19/810198419.db2.gz OMALBJWKEXBAET-YJBOKZPZSA-N 1 3 274.452 3.254 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCN(CC)CC)C1 ZINC001184418923 810199209 /nfs/dbraw/zinc/19/92/09/810199209.db2.gz VDVFKPKAQUMRGR-HRCADAONSA-N 1 3 270.461 3.044 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC[C@H]2CCCO2)CC1 ZINC001196936384 811384910 /nfs/dbraw/zinc/38/49/10/811384910.db2.gz SHOOKWHRSWVKLT-ZWKOTPCHSA-N 1 3 294.483 3.142 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC[C@H]2CCCO2)CC1 ZINC001196936384 811384919 /nfs/dbraw/zinc/38/49/19/811384919.db2.gz SHOOKWHRSWVKLT-ZWKOTPCHSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001197031575 811391425 /nfs/dbraw/zinc/39/14/25/811391425.db2.gz MHPHQHUTUQNFGO-CCKFTAQKSA-N 1 3 284.447 3.262 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC001197031575 811391431 /nfs/dbraw/zinc/39/14/31/811391431.db2.gz MHPHQHUTUQNFGO-CCKFTAQKSA-N 1 3 284.447 3.262 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cc(C)cc(C)c1 ZINC001204524668 812666326 /nfs/dbraw/zinc/66/63/26/812666326.db2.gz NZGWSLWHOBSLIY-UHFFFAOYSA-N 1 3 262.441 3.467 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CC[C@@](C)(N)C2)c(C)c1C ZINC001204790814 812737298 /nfs/dbraw/zinc/73/72/98/812737298.db2.gz MZYCODXRJZYHPQ-QGZVFWFLSA-N 1 3 260.425 3.152 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CC[C@@](C)(N)C2)c(C)c1C ZINC001204790814 812737306 /nfs/dbraw/zinc/73/73/06/812737306.db2.gz MZYCODXRJZYHPQ-QGZVFWFLSA-N 1 3 260.425 3.152 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1CCCc1cccc(Cl)c1 ZINC001205058018 812841204 /nfs/dbraw/zinc/84/12/04/812841204.db2.gz CDMXIFPZZBXKIF-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130372 812880427 /nfs/dbraw/zinc/88/04/27/812880427.db2.gz CGISPUNJHGSSRS-HRCADAONSA-N 1 3 252.446 3.286 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130372 812880438 /nfs/dbraw/zinc/88/04/38/812880438.db2.gz CGISPUNJHGSSRS-HRCADAONSA-N 1 3 252.446 3.286 20 0 CGADHO [NH3+][C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001205093941 812858805 /nfs/dbraw/zinc/85/88/05/812858805.db2.gz IEQNIULOYQPKFJ-CQSZACIVSA-N 1 3 286.341 3.061 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2csc3ccccc23)CC1 ZINC001205110471 812871144 /nfs/dbraw/zinc/87/11/44/812871144.db2.gz SVQMBARXRZXUKT-ZDUSSCGKSA-N 1 3 260.406 3.215 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2cccc3occc32)CC1 ZINC001205287938 812931672 /nfs/dbraw/zinc/93/16/72/812931672.db2.gz DUFGUVMTQFKWDV-INIZCTEOSA-N 1 3 258.365 3.136 20 0 CGADHO CCn1ccc2ccc(CN3CC[C@H](C)[C@@H](C[NH3+])C3)cc21 ZINC001205303626 812942461 /nfs/dbraw/zinc/94/24/61/812942461.db2.gz ISYKQICAVKUDSE-YOEHRIQHSA-N 1 3 285.435 3.078 20 0 CGADHO C[C@H]1CCN(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C[NH3+] ZINC001205304349 812942733 /nfs/dbraw/zinc/94/27/33/812942733.db2.gz OATJGLOZCNYJEY-MAUKXSAKSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@@H]1CCNCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331012 812958864 /nfs/dbraw/zinc/95/88/64/812958864.db2.gz CDMBCSKPZDNUKJ-OAHLLOKOSA-N 1 3 297.446 3.090 20 0 CGADHO C[C@@H]1CCNCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331012 812958868 /nfs/dbraw/zinc/95/88/68/812958868.db2.gz CDMBCSKPZDNUKJ-OAHLLOKOSA-N 1 3 297.446 3.090 20 0 CGADHO C[C@@H]1CCN(Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC001205602027 813018209 /nfs/dbraw/zinc/01/82/09/813018209.db2.gz HQNJZUDJYAWQSP-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCCCc1ccccc1 ZINC001205901707 813122780 /nfs/dbraw/zinc/12/27/80/813122780.db2.gz FNCUKTJYYOKAKY-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCCCc1ccccc1 ZINC001205901707 813122785 /nfs/dbraw/zinc/12/27/85/813122785.db2.gz FNCUKTJYYOKAKY-WBVHZDCISA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912628 813129924 /nfs/dbraw/zinc/12/99/24/813129924.db2.gz BFWJSHUINMAGIZ-RYUDHWBXSA-N 1 3 291.826 3.381 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(F)c2ccoc21 ZINC001205914084 813131407 /nfs/dbraw/zinc/13/14/07/813131407.db2.gz KXESHPSYLZDMNG-VXGBXAGGSA-N 1 3 276.355 3.131 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205916100 813133317 /nfs/dbraw/zinc/13/33/17/813133317.db2.gz RTDOJPXYWJTNPA-YOEHRIQHSA-N 1 3 260.425 3.369 20 0 CGADHO Cc1ccc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1F ZINC001205991302 813153667 /nfs/dbraw/zinc/15/36/67/813153667.db2.gz ABVRSJRDKCJNBW-OLZOCXBDSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036414 813176469 /nfs/dbraw/zinc/17/64/69/813176469.db2.gz JIBJLVKADOHOOB-SHPPOPEUSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036414 813176471 /nfs/dbraw/zinc/17/64/71/813176471.db2.gz JIBJLVKADOHOOB-SHPPOPEUSA-N 1 3 278.827 3.113 20 0 CGADHO [NH3+][C@H]1CCN(Cc2cccc3c(F)cccc23)CC[C@@H]1F ZINC001206199736 813235989 /nfs/dbraw/zinc/23/59/89/813235989.db2.gz PLZUDUCPKHVVDQ-IRXDYDNUSA-N 1 3 290.357 3.240 20 0 CGADHO C[C@]1(CN)CCCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206548086 813346960 /nfs/dbraw/zinc/34/69/60/813346960.db2.gz FWJLDWYQJYCZAB-LJQANCHMSA-N 1 3 298.430 3.496 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001206548086 813346967 /nfs/dbraw/zinc/34/69/67/813346967.db2.gz FWJLDWYQJYCZAB-LJQANCHMSA-N 1 3 298.430 3.496 20 0 CGADHO Cc1cccc2c(CN3CCCC[C@@](C)(C[NH3+])C3)c[nH]c21 ZINC001206549852 813347932 /nfs/dbraw/zinc/34/79/32/813347932.db2.gz RAVBUFKUVBSTPA-SFHVURJKSA-N 1 3 285.435 3.427 20 0 CGADHO Cc1ccc(F)cc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206589986 813368009 /nfs/dbraw/zinc/36/80/09/813368009.db2.gz KBEWNMNWSCGOJF-KRWDZBQOSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@H](N)C[NH+]1CCC(Cc2cccc(Cl)c2)CC1 ZINC001206704409 813402176 /nfs/dbraw/zinc/40/21/76/813402176.db2.gz SDTJJYSERCRNQG-INIZCTEOSA-N 1 3 280.843 3.332 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCC(C)(C)SC ZINC001207858301 813662013 /nfs/dbraw/zinc/66/20/13/813662013.db2.gz KLKWQAITWBBCGE-ZDUSSCGKSA-N 1 3 260.491 3.228 20 0 CGADHO Cc1ccc([C@H](C)CC[NH+]2CCC3(CN(C)C3)CC2)o1 ZINC001208167727 813722047 /nfs/dbraw/zinc/72/20/47/813722047.db2.gz JUGPAHIYDFOXTF-CQSZACIVSA-N 1 3 276.424 3.109 20 0 CGADHO CC1(F)CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947690 813906338 /nfs/dbraw/zinc/90/63/38/813906338.db2.gz LYQUTARFKBZLPP-KRWDZBQOSA-N 1 3 290.426 3.333 20 0 CGADHO CC1(F)CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947690 813906344 /nfs/dbraw/zinc/90/63/44/813906344.db2.gz LYQUTARFKBZLPP-KRWDZBQOSA-N 1 3 290.426 3.333 20 0 CGADHO Cc1cccc(C[N@H+](Cc2cnccc2N)C2CC2)c1C ZINC001209731494 814123883 /nfs/dbraw/zinc/12/38/83/814123883.db2.gz CUERRBMIRNDBIN-UHFFFAOYSA-N 1 3 281.403 3.276 20 0 CGADHO Cc1cccc(C[N@@H+](Cc2cnccc2N)C2CC2)c1C ZINC001209731494 814123888 /nfs/dbraw/zinc/12/38/88/814123888.db2.gz CUERRBMIRNDBIN-UHFFFAOYSA-N 1 3 281.403 3.276 20 0 CGADHO c1cc2cccc(CN3CCC[C@]4(CCC[NH2+]C4)C3)c2o1 ZINC001222278073 816393446 /nfs/dbraw/zinc/39/34/46/816393446.db2.gz XBBKWMMCMBVWRZ-SFHVURJKSA-N 1 3 284.403 3.398 20 0 CGADHO COc1cc(C)cc(CN2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222314560 816406441 /nfs/dbraw/zinc/40/64/41/816406441.db2.gz HUGWADPTBNJFTQ-SFHVURJKSA-N 1 3 288.435 3.112 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001222548602 816465055 /nfs/dbraw/zinc/46/50/55/816465055.db2.gz UHWYZGYEADREFH-UHFFFAOYSA-N 1 3 295.789 3.084 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1CCC(F)(C[NH3+])CC1 ZINC001222548304 816465532 /nfs/dbraw/zinc/46/55/32/816465532.db2.gz FNKCCQYXWNTUOU-UHFFFAOYSA-N 1 3 284.806 3.220 20 0 CGADHO C[NH2+]Cc1cccc(-c2cc3[nH]ccc3c(C)n2)c1 ZINC001242994347 823202526 /nfs/dbraw/zinc/20/25/26/823202526.db2.gz HWRCCGQLONMZGQ-UHFFFAOYSA-N 1 3 251.333 3.258 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cc4ccoc4cn3)CC2)CC1 ZINC001232555809 818385203 /nfs/dbraw/zinc/38/52/03/818385203.db2.gz CMBNBNLRADRCNP-UHFFFAOYSA-N 1 3 299.418 3.136 20 0 CGADHO Cc1cnsc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001233320875 818577586 /nfs/dbraw/zinc/57/75/86/818577586.db2.gz QUJQCMLPHUEEFD-UHFFFAOYSA-N 1 3 281.469 3.004 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2CC3CC2(C[NH3+])C3)cc1 ZINC001235007232 818977795 /nfs/dbraw/zinc/97/77/95/818977795.db2.gz KHZSWJONYAVDAO-LSJNQWAISA-N 1 3 286.463 3.412 20 0 CGADHO NCC12CC(C1)C[N@@H+]2Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235008271 818979015 /nfs/dbraw/zinc/97/90/15/818979015.db2.gz PVZQNQSECUGNEL-UHFFFAOYSA-N 1 3 296.389 3.416 20 0 CGADHO NCC12CC(C1)C[N@H+]2Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235008271 818979019 /nfs/dbraw/zinc/97/90/19/818979019.db2.gz PVZQNQSECUGNEL-UHFFFAOYSA-N 1 3 296.389 3.416 20 0 CGADHO CCn1ccc2c1cccc2C[N@@H+]1CCCC12CCNCC2 ZINC001235141647 819015996 /nfs/dbraw/zinc/01/59/96/819015996.db2.gz UVIWCELOHXLOGJ-UHFFFAOYSA-N 1 3 297.446 3.379 20 0 CGADHO CCn1ccc2c1cccc2C[N@H+]1CCCC12CCNCC2 ZINC001235141647 819016005 /nfs/dbraw/zinc/01/60/05/819016005.db2.gz UVIWCELOHXLOGJ-UHFFFAOYSA-N 1 3 297.446 3.379 20 0 CGADHO [NH3+][C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001235254014 819051538 /nfs/dbraw/zinc/05/15/38/819051538.db2.gz HBRUJBXKRMXKHE-ZWOKBUDYSA-N 1 3 290.410 3.179 20 0 CGADHO [NH3+][C@H]1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001235257390 819053563 /nfs/dbraw/zinc/05/35/63/819053563.db2.gz YZKGLSPGNHLHBG-WDSOQIARSA-N 1 3 296.389 3.414 20 0 CGADHO Cc1cc(Cl)c(Cl)cc1CN1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340800 819072546 /nfs/dbraw/zinc/07/25/46/819072546.db2.gz MMRRGDBBTHALMV-LLVKDONJSA-N 1 3 299.245 3.343 20 0 CGADHO Cc1c(F)ccc(CN(C)CC2CC[NH2+]CC2)c1Cl ZINC001235432636 819096470 /nfs/dbraw/zinc/09/64/70/819096470.db2.gz ORUUNCVRKVKPFX-UHFFFAOYSA-N 1 3 284.806 3.219 20 0 CGADHO Cc1cc(OC(C)C)cc(C)c1CN1CCC[C@@H](C[NH3+])C1 ZINC001235673521 819133477 /nfs/dbraw/zinc/13/34/77/819133477.db2.gz BPQPFDBWXDASQL-INIZCTEOSA-N 1 3 290.451 3.261 20 0 CGADHO CC1(C)CC[NH+](Cc2cc3c(s2)CNCC3)CC1 ZINC001235690587 819142499 /nfs/dbraw/zinc/14/24/99/819142499.db2.gz JJIPNBPCYWYTGJ-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CC(C)=CCC[C@H](C)CCN(C)C[C@@H]1CC[NH2+]C1 ZINC001235841406 819183922 /nfs/dbraw/zinc/18/39/22/819183922.db2.gz FIJZAZJSZYUHEK-JKSUJKDBSA-N 1 3 252.446 3.300 20 0 CGADHO CSc1cc(C)cc(CN2CCC[C@H]2CC[NH3+])c1 ZINC001235926244 819226201 /nfs/dbraw/zinc/22/62/01/819226201.db2.gz VCWNMIBJGOEVQN-AWEZNQCLSA-N 1 3 264.438 3.030 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044979 819281750 /nfs/dbraw/zinc/28/17/50/819281750.db2.gz QVGUGYXDLJKLSG-SJLPKXTDSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044979 819281759 /nfs/dbraw/zinc/28/17/59/819281759.db2.gz QVGUGYXDLJKLSG-SJLPKXTDSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2C[C@H](N)C[C@H](C)C2)c(C)c1C ZINC001236046721 819283293 /nfs/dbraw/zinc/28/32/93/819283293.db2.gz HTVVAIOKIDWTDS-APPDUMDISA-N 1 3 274.452 3.398 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2C[C@H](N)C[C@H](C)C2)c(C)c1C ZINC001236046721 819283301 /nfs/dbraw/zinc/28/33/01/819283301.db2.gz HTVVAIOKIDWTDS-APPDUMDISA-N 1 3 274.452 3.398 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](N)C2)c2ccccc12 ZINC001236051319 819287227 /nfs/dbraw/zinc/28/72/27/819287227.db2.gz VXQGTOOKLNMGMK-BBRMVZONSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H](N)C2)c2ccccc12 ZINC001236051319 819287232 /nfs/dbraw/zinc/28/72/32/819287232.db2.gz VXQGTOOKLNMGMK-BBRMVZONSA-N 1 3 268.404 3.317 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)NC3)C1(C)C ZINC001236061015 819293400 /nfs/dbraw/zinc/29/34/00/819293400.db2.gz UTCFZQDNRQIMBL-JYJNAYRXSA-N 1 3 262.441 3.053 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)NC3)C1(C)C ZINC001236061015 819293405 /nfs/dbraw/zinc/29/34/05/819293405.db2.gz UTCFZQDNRQIMBL-JYJNAYRXSA-N 1 3 262.441 3.053 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@H]3CC[C@@H](C2)NC3)C1(C)C ZINC001236061029 819294169 /nfs/dbraw/zinc/29/41/69/819294169.db2.gz UTCFZQDNRQIMBL-XHSDSOJGSA-N 1 3 262.441 3.053 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@H]3CC[C@@H](C2)NC3)C1(C)C ZINC001236061029 819294175 /nfs/dbraw/zinc/29/41/75/819294175.db2.gz UTCFZQDNRQIMBL-XHSDSOJGSA-N 1 3 262.441 3.053 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060369 819294349 /nfs/dbraw/zinc/29/43/49/819294349.db2.gz OVWWSGKOXQPBBK-IKGGRYGDSA-N 1 3 296.499 3.292 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060369 819294357 /nfs/dbraw/zinc/29/43/57/819294357.db2.gz OVWWSGKOXQPBBK-IKGGRYGDSA-N 1 3 296.499 3.292 20 0 CGADHO C[NH2+]C[C@@H]1CCN(Cc2ccccc2-c2ccccc2)C1 ZINC001236068866 819299707 /nfs/dbraw/zinc/29/97/07/819299707.db2.gz XXPHYRLKNLDXDX-INIZCTEOSA-N 1 3 280.415 3.395 20 0 CGADHO Fc1cccc(F)c1[C@H]1CCCN1CCC1CC[NH2+]CC1 ZINC001236189276 819363236 /nfs/dbraw/zinc/36/32/36/819363236.db2.gz KHFDRWVQOYGZGS-MRXNPFEDSA-N 1 3 294.389 3.491 20 0 CGADHO Fc1cccc(F)c1[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC001236190830 819363452 /nfs/dbraw/zinc/36/34/52/819363452.db2.gz YRUNKWXHYGXNSR-BBRMVZONSA-N 1 3 294.389 3.491 20 0 CGADHO c1ccc(CCCCCN2CCC[NH2+]CCC2)cc1 ZINC001236241247 819401450 /nfs/dbraw/zinc/40/14/50/819401450.db2.gz WYJVBDKVMMMOCC-UHFFFAOYSA-N 1 3 260.425 3.085 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H](N)[C@H]2C)c2ccccc12 ZINC001236420824 819467117 /nfs/dbraw/zinc/46/71/17/819467117.db2.gz OLOUDXJNLGMPJV-KDOFPFPSSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H](N)[C@H]2C)c2ccccc12 ZINC001236420824 819467119 /nfs/dbraw/zinc/46/71/19/819467119.db2.gz OLOUDXJNLGMPJV-KDOFPFPSSA-N 1 3 268.404 3.460 20 0 CGADHO C[C@]1(C[NH3+])CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236605357 819550253 /nfs/dbraw/zinc/55/02/53/819550253.db2.gz RGBPLLWMWHULCG-HXUWFJFHSA-N 1 3 292.426 3.429 20 0 CGADHO Cc1cc(C)cc(C[N@H+](C2CCC2)C2CCNCC2)c1 ZINC001236634793 819556917 /nfs/dbraw/zinc/55/69/17/819556917.db2.gz XVVDMYDCONJFQW-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO Cc1cc(C)cc(C[N@@H+](C2CCC2)C2CCNCC2)c1 ZINC001236634793 819556922 /nfs/dbraw/zinc/55/69/22/819556922.db2.gz XVVDMYDCONJFQW-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO CCCN(Cc1ccc(F)c2ccoc21)C[C@H]1CC[NH2+]C1 ZINC001236844122 819620394 /nfs/dbraw/zinc/62/03/94/819620394.db2.gz SYDQAKYSUGTTBE-ZDUSSCGKSA-N 1 3 290.382 3.393 20 0 CGADHO CSc1cc(C)cc(CN2CC3(C2)CC[NH+](C)CC3)c1 ZINC001238679719 820079967 /nfs/dbraw/zinc/07/99/67/820079967.db2.gz CVRRONJFWMKIAF-UHFFFAOYSA-N 1 3 290.476 3.245 20 0 CGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=CCCN(C)C2)nc1 ZINC001241568396 821954604 /nfs/dbraw/zinc/95/46/04/821954604.db2.gz QMHSEEUCALJGES-HNNXBMFYSA-N 1 3 285.435 3.175 20 0 CGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(C2=CCCN(C)C2)nc1 ZINC001241568396 821954610 /nfs/dbraw/zinc/95/46/10/821954610.db2.gz QMHSEEUCALJGES-HNNXBMFYSA-N 1 3 285.435 3.175 20 0 CGADHO CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCCNC1 ZINC001330187031 935275003 /nfs/dbraw/zinc/27/50/03/935275003.db2.gz WHNFJMVWWOZFET-QGZVFWFLSA-N 1 3 292.442 3.326 20 0 CGADHO CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CCCNC1 ZINC001330187031 935275006 /nfs/dbraw/zinc/27/50/06/935275006.db2.gz WHNFJMVWWOZFET-QGZVFWFLSA-N 1 3 292.442 3.326 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075946 936800514 /nfs/dbraw/zinc/80/05/14/936800514.db2.gz AXYKEWDVXCYBLR-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075946 936800516 /nfs/dbraw/zinc/80/05/16/936800516.db2.gz AXYKEWDVXCYBLR-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(OC)cc2C)C1 ZINC001345075946 936800518 /nfs/dbraw/zinc/80/05/18/936800518.db2.gz AXYKEWDVXCYBLR-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001351987575 937030956 /nfs/dbraw/zinc/03/09/56/937030956.db2.gz OEFZOWGDOAGNNS-HNNXBMFYSA-N 1 3 296.405 3.217 20 0 CGADHO CC(C)CN1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000224399440 928085927 /nfs/dbraw/zinc/08/59/27/928085927.db2.gz PGKHGHSBFRDCJJ-UHFFFAOYSA-N 1 3 266.351 3.039 20 0 CGADHO Cc1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c(F)c1 ZINC001275427944 928521809 /nfs/dbraw/zinc/52/18/09/928521809.db2.gz VOLJBDXXVQZISY-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)c(F)c1 ZINC001275427944 928521815 /nfs/dbraw/zinc/52/18/15/928521815.db2.gz VOLJBDXXVQZISY-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)CC(C)(C)C ZINC001459949119 928726648 /nfs/dbraw/zinc/72/66/48/928726648.db2.gz DXRYTIKYDBIMPJ-CABCVRRESA-N 1 3 254.462 3.475 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)CC(C)(C)C ZINC001459949119 928726658 /nfs/dbraw/zinc/72/66/58/928726658.db2.gz DXRYTIKYDBIMPJ-CABCVRRESA-N 1 3 254.462 3.475 20 0 CGADHO Cc1ccccc1C1([NH2+]CC[C@@H]2CCCN2C)CCC1 ZINC001460331089 937527299 /nfs/dbraw/zinc/52/72/99/937527299.db2.gz KQAFQMDSUDTHIX-INIZCTEOSA-N 1 3 272.436 3.448 20 0 CGADHO Fc1ccc(/C=C/C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC001461049549 937561658 /nfs/dbraw/zinc/56/16/58/937561658.db2.gz FWFXQYWPQCWGFI-MULDZMIYSA-N 1 3 274.383 3.055 20 0 CGADHO CC(C)(CC[N@@H+]1CCCN(c2ccncc2)CC1)C1CC1 ZINC001307875888 933014025 /nfs/dbraw/zinc/01/40/25/933014025.db2.gz YUMRJEFZQKMCJD-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO CC(C)(CC[N@H+]1CCCN(c2ccncc2)CC1)C1CC1 ZINC001307875888 933014027 /nfs/dbraw/zinc/01/40/27/933014027.db2.gz YUMRJEFZQKMCJD-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)CC1 ZINC001462582519 937652147 /nfs/dbraw/zinc/65/21/47/937652147.db2.gz CKIFBYFBMYIYEY-FZCLSBEQSA-N 1 3 278.484 3.379 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC001462617878 937654092 /nfs/dbraw/zinc/65/40/92/937654092.db2.gz KHYJQXRZVVYAAR-MOPGFXCFSA-N 1 3 286.463 3.236 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC001462617878 937654095 /nfs/dbraw/zinc/65/40/95/937654095.db2.gz KHYJQXRZVVYAAR-MOPGFXCFSA-N 1 3 286.463 3.236 20 0 CGADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC001308238496 933078772 /nfs/dbraw/zinc/07/87/72/933078772.db2.gz WWGGHZAQDKNEEQ-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568266 933135240 /nfs/dbraw/zinc/13/52/40/933135240.db2.gz CPJUNJXYVBSCDV-WBVHZDCISA-N 1 3 299.462 3.483 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568266 933135242 /nfs/dbraw/zinc/13/52/42/933135242.db2.gz CPJUNJXYVBSCDV-WBVHZDCISA-N 1 3 299.462 3.483 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC001308784373 933176164 /nfs/dbraw/zinc/17/61/64/933176164.db2.gz GXKLWYIGGTWTGR-IBGZPJMESA-N 1 3 286.463 3.264 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC001308784373 933176167 /nfs/dbraw/zinc/17/61/67/933176167.db2.gz GXKLWYIGGTWTGR-IBGZPJMESA-N 1 3 286.463 3.264 20 0 CGADHO COc1ccc2c(c1)nccc2N1CC[NH+](C(C)(C)C)CC1 ZINC001319198255 933841385 /nfs/dbraw/zinc/84/13/85/933841385.db2.gz BPNREIASAGYWQG-UHFFFAOYSA-N 1 3 299.418 3.164 20 0 CGADHO Cc1cnc2ccccc2c1N(C)CC[N@H+](C)C1CC1 ZINC001320636453 934076532 /nfs/dbraw/zinc/07/65/32/934076532.db2.gz LUHQBVDIDSRIMP-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1cnc2ccccc2c1N(C)CC[N@@H+](C)C1CC1 ZINC001320636453 934076543 /nfs/dbraw/zinc/07/65/43/934076543.db2.gz LUHQBVDIDSRIMP-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC001323977238 934444123 /nfs/dbraw/zinc/44/41/23/934444123.db2.gz NBJRLMPNWZFSRU-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3OC)C1 ZINC001323977238 934444129 /nfs/dbraw/zinc/44/41/29/934444129.db2.gz NBJRLMPNWZFSRU-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3OC)C1 ZINC001323977238 934444131 /nfs/dbraw/zinc/44/41/31/934444131.db2.gz NBJRLMPNWZFSRU-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454705 934506253 /nfs/dbraw/zinc/50/62/53/934506253.db2.gz GJBASNUSIJVFPX-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454705 934506258 /nfs/dbraw/zinc/50/62/58/934506258.db2.gz GJBASNUSIJVFPX-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454705 934506260 /nfs/dbraw/zinc/50/62/60/934506260.db2.gz GJBASNUSIJVFPX-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454705 934506267 /nfs/dbraw/zinc/50/62/67/934506267.db2.gz GJBASNUSIJVFPX-OALUTQOASA-N 1 3 284.447 3.091 20 0 CGADHO CCC[NH+]1CCC(N[C@H](C)COc2ccccc2F)CC1 ZINC001325276684 934900601 /nfs/dbraw/zinc/90/06/01/934900601.db2.gz CHDXVWNQWZMFNK-CQSZACIVSA-N 1 3 294.414 3.057 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC001326036622 934946245 /nfs/dbraw/zinc/94/62/45/934946245.db2.gz RTOCUBWBOUXAOM-LXZKKBNFSA-N 1 3 276.424 3.253 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001326234495 934962008 /nfs/dbraw/zinc/96/20/08/934962008.db2.gz LZHORGSORWMOJZ-MRXNPFEDSA-N 1 3 295.430 3.465 20 0 CGADHO C[C@@H]([NH2+]CCc1c(F)cccc1Cl)[C@H]1CCCCN1 ZINC001326459972 934981333 /nfs/dbraw/zinc/98/13/33/934981333.db2.gz YSCKNHLYQZLTIN-IAQYHMDHSA-N 1 3 284.806 3.142 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@H](CSc1ccccc1)C(C)C ZINC001326473009 934982198 /nfs/dbraw/zinc/98/21/98/934982198.db2.gz GQHXYTMSEHMCMA-GOEBONIOSA-N 1 3 280.481 3.391 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604014 934994147 /nfs/dbraw/zinc/99/41/47/934994147.db2.gz BJYZZWWXQUEJPP-OCCSQVGLSA-N 1 3 293.842 3.044 20 0 CGADHO C[NH+](C)C1(C)CCN(CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001473721205 937818952 /nfs/dbraw/zinc/81/89/52/937818952.db2.gz LOFYYSZHIDIYHN-MRXNPFEDSA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)C1(C)CC[NH+](CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001473721205 937818953 /nfs/dbraw/zinc/81/89/53/937818953.db2.gz LOFYYSZHIDIYHN-MRXNPFEDSA-N 1 3 294.483 3.142 20 0 CGADHO Fc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327513091 935064855 /nfs/dbraw/zinc/06/48/55/935064855.db2.gz SXOSQSNVKAQJMX-DYVFJYSZSA-N 1 3 276.399 3.256 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390488 936143077 /nfs/dbraw/zinc/14/30/77/936143077.db2.gz JYOKNBSPCNYTLA-RHSMWYFYSA-N 1 3 278.415 3.173 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)cc2)C[C@H]1C ZINC001335390488 936143079 /nfs/dbraw/zinc/14/30/79/936143079.db2.gz JYOKNBSPCNYTLA-RHSMWYFYSA-N 1 3 278.415 3.173 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2cc(C3CC3)no2)CC1 ZINC001335565298 936152512 /nfs/dbraw/zinc/15/25/12/936152512.db2.gz GXVSIHYBICPHPN-UHFFFAOYSA-N 1 3 289.423 3.049 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)nc2)C1 ZINC001335972805 936170743 /nfs/dbraw/zinc/17/07/43/936170743.db2.gz OTWWTZHDTNWENJ-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H]1CN(CCSC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001473759813 937821243 /nfs/dbraw/zinc/82/12/43/937821243.db2.gz POIABVXNJBLZPP-CQSZACIVSA-N 1 3 293.480 3.124 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Cl)c(C)c2)C1 ZINC001473964581 937832822 /nfs/dbraw/zinc/83/28/22/937832822.db2.gz FLHRXLQGAOCXAV-HNNXBMFYSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+]CC[C@H](C)N(C)C ZINC001474223715 937844825 /nfs/dbraw/zinc/84/48/25/937844825.db2.gz SNZRVFXQJUGQSD-NSHDSACASA-N 1 3 254.805 3.078 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001550539598 938167473 /nfs/dbraw/zinc/16/74/73/938167473.db2.gz DKXKSWDJGTYIRV-KBPBESRZSA-N 1 3 298.352 3.089 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001550539598 938167474 /nfs/dbraw/zinc/16/74/74/938167474.db2.gz DKXKSWDJGTYIRV-KBPBESRZSA-N 1 3 298.352 3.089 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001553024376 938195813 /nfs/dbraw/zinc/19/58/13/938195813.db2.gz ANEUMNAVPVGKLB-ILOCAZANSA-N 1 3 284.447 3.156 20 0 CGADHO CC[C@H](C)[C@H](C)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001560048725 938242886 /nfs/dbraw/zinc/24/28/86/938242886.db2.gz YBWGWTAECCUBNR-GJZGRUSLSA-N 1 3 252.446 3.371 20 0 CGADHO CC1(C)CC(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001560763545 938274697 /nfs/dbraw/zinc/27/46/97/938274697.db2.gz BCHSTJQKCFEOGS-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO C(CC1CCCCCC1)[NH2+]C[C@H]1CN2CCC1CC2 ZINC001561034432 938290548 /nfs/dbraw/zinc/29/05/48/938290548.db2.gz QBDDHSONEUSCGM-KRWDZBQOSA-N 1 3 264.457 3.278 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001574801101 962316870 /nfs/dbraw/zinc/31/68/70/962316870.db2.gz NJIJPOVQFWTDNT-WCXIOVBPSA-N 1 3 262.441 3.031 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CCCC[C@]12CCCNC2 ZINC001574801101 962316887 /nfs/dbraw/zinc/31/68/87/962316887.db2.gz NJIJPOVQFWTDNT-WCXIOVBPSA-N 1 3 262.441 3.031 20 0 CGADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001574801101 962316902 /nfs/dbraw/zinc/31/69/02/962316902.db2.gz NJIJPOVQFWTDNT-WCXIOVBPSA-N 1 3 262.441 3.031 20 0 CGADHO CC(C)(C)OC1CC([N@@H+]2CC[C@](CN)(C(C)(C)C)C2)C1 ZINC001575248360 962355796 /nfs/dbraw/zinc/35/57/96/962355796.db2.gz WRWFPEJWYLGYOB-MQBCKMQZSA-N 1 3 282.472 3.029 20 0 CGADHO CC(C)(C)OC1CC([N@H+]2CC[C@](CN)(C(C)(C)C)C2)C1 ZINC001575248360 962355813 /nfs/dbraw/zinc/35/58/13/962355813.db2.gz WRWFPEJWYLGYOB-MQBCKMQZSA-N 1 3 282.472 3.029 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001575423394 962371461 /nfs/dbraw/zinc/37/14/61/962371461.db2.gz TWBGNIGNLGUIMJ-KBAYOESNSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001575423394 962371490 /nfs/dbraw/zinc/37/14/90/962371490.db2.gz TWBGNIGNLGUIMJ-KBAYOESNSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)[C@@H](CN)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001575423192 962379774 /nfs/dbraw/zinc/37/97/74/962379774.db2.gz QVQOLGQIDOKDSN-KRWDZBQOSA-N 1 3 292.442 3.311 20 0 CGADHO C[C@H](CC1CCCCC1)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001575934673 962419860 /nfs/dbraw/zinc/41/98/60/962419860.db2.gz RZUZVHLSBJYAJF-HYVNUMGLSA-N 1 3 264.457 3.406 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(-c2cccs2)cc1 ZINC001575989391 962432706 /nfs/dbraw/zinc/43/27/06/962432706.db2.gz XINDUOIMZSYWIZ-GFCCVEGCSA-N 1 3 260.406 3.100 20 0 CGADHO CC1(C)CCCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001576435316 962454966 /nfs/dbraw/zinc/45/49/66/962454966.db2.gz WYOUDRSITBUEET-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCCC[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC001576435316 962454978 /nfs/dbraw/zinc/45/49/78/962454978.db2.gz WYOUDRSITBUEET-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001576435319 962459473 /nfs/dbraw/zinc/45/94/73/962459473.db2.gz WYOUDRSITBUEET-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCCC[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC001576435319 962459480 /nfs/dbraw/zinc/45/94/80/962459480.db2.gz WYOUDRSITBUEET-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO CN(Cc1nc2ccc(F)cc2s1)C1CCC([NH3+])CC1 ZINC001578502317 962592210 /nfs/dbraw/zinc/59/22/10/962592210.db2.gz PBBZIBZMSJAQOU-UHFFFAOYSA-N 1 3 293.411 3.137 20 0 CGADHO CO[C@H](CN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+])C1CCCCC1 ZINC001578909074 962602594 /nfs/dbraw/zinc/60/25/94/962602594.db2.gz PLHUVJGEDABAIK-HDEZJCGLSA-N 1 3 282.472 3.029 20 0 CGADHO COCc1ccccc1/C=C(/C)C[N@H+](C)C1(CN)CCC1 ZINC001579093724 962608376 /nfs/dbraw/zinc/60/83/76/962608376.db2.gz JGJLEAWZHSHFJR-PTNGSMBKSA-N 1 3 288.435 3.050 20 0 CGADHO COCc1ccccc1/C=C(/C)C[N@@H+](C)C1(CN)CCC1 ZINC001579093724 962608387 /nfs/dbraw/zinc/60/83/87/962608387.db2.gz JGJLEAWZHSHFJR-PTNGSMBKSA-N 1 3 288.435 3.050 20 0 CGADHO COCC[C@@H](c1ccccc1)N(C)CC[C@@H]([NH3+])C(C)C ZINC001579005798 962612418 /nfs/dbraw/zinc/61/24/18/962612418.db2.gz YVMZABAMAKBKIS-SJORKVTESA-N 1 3 278.440 3.069 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC001579486539 962627518 /nfs/dbraw/zinc/62/75/18/962627518.db2.gz DWCHIPNCUPYNNW-AULYBMBSSA-N 1 3 264.438 3.062 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCCC[C@H]1c1ccco1 ZINC001579454609 962627728 /nfs/dbraw/zinc/62/77/28/962627728.db2.gz OOETUVWDNVDGSX-ILXRZTDVSA-N 1 3 262.397 3.052 20 0 CGADHO Cc1cc(C)c(/C=C/C[NH2+]C[C@H](N)C(C)C)cc1C ZINC001579571454 962638149 /nfs/dbraw/zinc/63/81/49/962638149.db2.gz GFNRVGXNGIAOSJ-LXXRFIIISA-N 1 3 260.425 3.198 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](CN)C(C)C)C1 ZINC001579795336 962674792 /nfs/dbraw/zinc/67/47/92/962674792.db2.gz NPYWMHAQYQIBIC-HZPDHXFCSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](CN)C(C)C)C1 ZINC001579795336 962674803 /nfs/dbraw/zinc/67/48/03/962674803.db2.gz NPYWMHAQYQIBIC-HZPDHXFCSA-N 1 3 260.425 3.015 20 0 CGADHO FC(F)n1cccc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001580024546 962691489 /nfs/dbraw/zinc/69/14/89/962691489.db2.gz ZZPNGLPMRPWIRJ-KBPBESRZSA-N 1 3 297.393 3.095 20 0 CGADHO [NH3+]CCCNC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001580298573 962713689 /nfs/dbraw/zinc/71/36/89/962713689.db2.gz MMOLIPORRWMOSJ-UHFFFAOYSA-N 1 3 286.341 3.413 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000651750122 398282013 /nfs/dbraw/zinc/28/20/13/398282013.db2.gz XCRHRYYGCSIRDF-KRWDZBQOSA-N 1 3 292.467 3.289 20 0 CGADHO Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000096971773 185144902 /nfs/dbraw/zinc/14/49/02/185144902.db2.gz MKGAFTXVGSMVGV-KRWDZBQOSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ccc(C[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000096971773 185144904 /nfs/dbraw/zinc/14/49/04/185144904.db2.gz MKGAFTXVGSMVGV-KRWDZBQOSA-N 1 3 260.425 3.301 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000651866221 398298733 /nfs/dbraw/zinc/29/87/33/398298733.db2.gz ZWRZNTVUCPRPCU-FGTMMUONSA-N 1 3 296.499 3.149 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442290 529453483 /nfs/dbraw/zinc/45/34/83/529453483.db2.gz BMZAGQRHRZJVBU-DYVFJYSZSA-N 1 3 269.392 3.137 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000423481535 529454069 /nfs/dbraw/zinc/45/40/69/529454069.db2.gz WUHISETUTYTYMC-KBPBESRZSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456601 529568191 /nfs/dbraw/zinc/56/81/91/529568191.db2.gz DRYYFXRVMMAAMD-YPMHNXCESA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1cccc(OC)c1 ZINC000423289585 529590971 /nfs/dbraw/zinc/59/09/71/529590971.db2.gz XTQXKIXBVIWYJQ-HNNXBMFYSA-N 1 3 264.413 3.253 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000423283837 529669953 /nfs/dbraw/zinc/66/99/53/529669953.db2.gz WJMXKTCVJDAQMO-XIRDDKMYSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1cccc(OC)c1 ZINC000423283837 529669956 /nfs/dbraw/zinc/66/99/56/529669956.db2.gz WJMXKTCVJDAQMO-XIRDDKMYSA-N 1 3 276.424 3.253 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405861 349801127 /nfs/dbraw/zinc/80/11/27/349801127.db2.gz AQBQVNFBKDQBPQ-YOEHRIQHSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405861 349801131 /nfs/dbraw/zinc/80/11/31/349801131.db2.gz AQBQVNFBKDQBPQ-YOEHRIQHSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)CN1CCCCC1 ZINC000126701987 187257410 /nfs/dbraw/zinc/25/74/10/187257410.db2.gz VVQUXWSSWQPCGJ-CVEARBPZSA-N 1 3 290.451 3.035 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423406148 529721995 /nfs/dbraw/zinc/72/19/95/529721995.db2.gz YQJRLCGPLVNZGF-SDDRHHMPSA-N 1 3 252.427 3.231 20 0 CGADHO CCc1nc(C)c([C@H](C)N(C)CCC2CC[NH2+]CC2)s1 ZINC000359206464 529729431 /nfs/dbraw/zinc/72/94/31/529729431.db2.gz HQPPKIHDRLWFTM-ZDUSSCGKSA-N 1 3 295.496 3.396 20 0 CGADHO Cc1ccsc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000126821913 187264337 /nfs/dbraw/zinc/26/43/37/187264337.db2.gz FJGZVASHGJIHGC-GJZGRUSLSA-N 1 3 296.480 3.036 20 0 CGADHO CO[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573522 349839351 /nfs/dbraw/zinc/83/93/51/349839351.db2.gz LSAIJGBJLMCUTE-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573522 349839354 /nfs/dbraw/zinc/83/93/54/349839354.db2.gz LSAIJGBJLMCUTE-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc2cc(C[NH2+]C[C@H]3CCCCN(C)C3)[nH]c2c1 ZINC000623657440 349859546 /nfs/dbraw/zinc/85/95/46/349859546.db2.gz QULHTZVCZMLKAC-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@@H](C)C1 ZINC000623657695 349859718 /nfs/dbraw/zinc/85/97/18/349859718.db2.gz WUOZKEGIFSTRNT-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656728 349857820 /nfs/dbraw/zinc/85/78/20/349857820.db2.gz AMICCMVNKOMOMQ-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037649414 344951881 /nfs/dbraw/zinc/95/18/81/344951881.db2.gz ZMBWCOGXWSTDPR-CABCVRRESA-N 1 3 288.435 3.139 20 0 CGADHO Cc1cccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000043314283 344996516 /nfs/dbraw/zinc/99/65/16/344996516.db2.gz LPTIRDRNDBAGFF-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1cccc(CNC[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000043314283 344996520 /nfs/dbraw/zinc/99/65/20/344996520.db2.gz LPTIRDRNDBAGFF-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO CC(C)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000093211816 345872826 /nfs/dbraw/zinc/87/28/26/345872826.db2.gz ICPAEXBZNMHAPM-JYJNAYRXSA-N 1 3 264.388 3.382 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000221219843 346297156 /nfs/dbraw/zinc/29/71/56/346297156.db2.gz SDNAONBFPIDCKV-CABZTGNLSA-N 1 3 260.303 3.093 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(OC)cc1F ZINC000228595590 346314796 /nfs/dbraw/zinc/31/47/96/346314796.db2.gz CZKGHFHGAOIMDW-AWEZNQCLSA-N 1 3 296.430 3.434 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)c(F)c1 ZINC000624119607 349975171 /nfs/dbraw/zinc/97/51/71/349975171.db2.gz FWMFLGRGRGZTIK-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)n1 ZINC000584774793 346712775 /nfs/dbraw/zinc/71/27/75/346712775.db2.gz NDBVTVBDRVMGPW-WKPIXPDZSA-N 1 3 287.432 3.289 20 0 CGADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119431 349975707 /nfs/dbraw/zinc/97/57/07/349975707.db2.gz BCFITTDXJRJYSF-HZPDHXFCSA-N 1 3 260.425 3.378 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000600192100 347791663 /nfs/dbraw/zinc/79/16/63/347791663.db2.gz SSMROSVVXNBANI-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO C[N@@H+]1CCCC[C@H](CNCCSCc2ccccc2)C1 ZINC000600192100 347791666 /nfs/dbraw/zinc/79/16/66/347791666.db2.gz SSMROSVVXNBANI-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO C[N@H+]1CCCC[C@H](CNCCSCc2ccccc2)C1 ZINC000600192100 347791668 /nfs/dbraw/zinc/79/16/68/347791668.db2.gz SSMROSVVXNBANI-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(OC)cc1 ZINC000624120464 349976609 /nfs/dbraw/zinc/97/66/09/349976609.db2.gz ZXRLUKXBYIFFBN-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000351866992 219231411 /nfs/dbraw/zinc/23/14/11/219231411.db2.gz VSPSRBPAHJZLIN-KSSFIOAISA-N 1 3 268.404 3.051 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119866 349977544 /nfs/dbraw/zinc/97/75/44/349977544.db2.gz LBXWHFOAIAORCZ-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624121003 349978629 /nfs/dbraw/zinc/97/86/29/349978629.db2.gz LMJOSCUWXYEBMI-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121003 349978631 /nfs/dbraw/zinc/97/86/31/349978631.db2.gz LMJOSCUWXYEBMI-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)CC2 ZINC000624121003 349978633 /nfs/dbraw/zinc/97/86/33/349978633.db2.gz LMJOSCUWXYEBMI-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121172 349978698 /nfs/dbraw/zinc/97/86/98/349978698.db2.gz PNEACBRZEAPQIL-VKJFTORMSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121172 349978700 /nfs/dbraw/zinc/97/87/00/349978700.db2.gz PNEACBRZEAPQIL-VKJFTORMSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121172 349978704 /nfs/dbraw/zinc/97/87/04/349978704.db2.gz PNEACBRZEAPQIL-VKJFTORMSA-N 1 3 272.436 3.241 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120691 349978188 /nfs/dbraw/zinc/97/81/88/349978188.db2.gz FGRVLAKESUTITB-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120691 349978191 /nfs/dbraw/zinc/97/81/91/349978191.db2.gz FGRVLAKESUTITB-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120691 349978194 /nfs/dbraw/zinc/97/81/94/349978194.db2.gz FGRVLAKESUTITB-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C12CCCC2 ZINC000624122259 349980464 /nfs/dbraw/zinc/98/04/64/349980464.db2.gz NFLOSRGQJSEXNH-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122499 349981657 /nfs/dbraw/zinc/98/16/57/349981657.db2.gz SWMZNWSBTGILKR-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624122499 349981661 /nfs/dbraw/zinc/98/16/61/349981661.db2.gz SWMZNWSBTGILKR-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122499 349981665 /nfs/dbraw/zinc/98/16/65/349981665.db2.gz SWMZNWSBTGILKR-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000624123679 349982345 /nfs/dbraw/zinc/98/23/45/349982345.db2.gz QGVYCONKEWBGDA-PMPSAXMXSA-N 1 3 270.436 3.226 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cc2cnccc2o1 ZINC000624123226 349983165 /nfs/dbraw/zinc/98/31/65/349983165.db2.gz IGYODDDORIPUGZ-KBPBESRZSA-N 1 3 287.407 3.210 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)CCCCOc1ccccc1 ZINC000339409410 215151640 /nfs/dbraw/zinc/15/16/40/215151640.db2.gz MEZBKYGNQFXNDX-KRWDZBQOSA-N 1 3 278.440 3.151 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@]2(C)CCCOC2)CC1 ZINC000357873975 233021165 /nfs/dbraw/zinc/02/11/65/233021165.db2.gz RYCMNZKFYKUZNT-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@]2(C)CCCOC2)CC1 ZINC000357873975 233021167 /nfs/dbraw/zinc/02/11/67/233021167.db2.gz RYCMNZKFYKUZNT-BPQIPLTHSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000624308983 350022520 /nfs/dbraw/zinc/02/25/20/350022520.db2.gz AWKCIWYFSFXLTH-LMSBXDPUSA-N 1 3 294.483 3.044 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628210060 350441087 /nfs/dbraw/zinc/44/10/87/350441087.db2.gz FOODHFTZYXQUBJ-IRXDYDNUSA-N 1 3 274.452 3.420 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CN1 ZINC000629535386 350705162 /nfs/dbraw/zinc/70/51/62/350705162.db2.gz CEEZRMUGMAUGLG-IIYDPXPESA-N 1 3 283.419 3.275 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[C@H](C)NC1 ZINC000629535125 350705204 /nfs/dbraw/zinc/70/52/04/350705204.db2.gz BPXOKQGUFLPKPI-HOSILWTGSA-N 1 3 258.409 3.273 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)CC3 ZINC000629542782 350708726 /nfs/dbraw/zinc/70/87/26/350708726.db2.gz LPZWPJMDPJCNNL-KFWWJZLASA-N 1 3 297.446 3.064 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544276 350709221 /nfs/dbraw/zinc/70/92/21/350709221.db2.gz HGTWCAAVDMQSKY-UWVGGRQHSA-N 1 3 297.805 3.218 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629549871 350711356 /nfs/dbraw/zinc/71/13/56/350711356.db2.gz JBCWIIHQSXIUQN-VXGBXAGGSA-N 1 3 278.362 3.216 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccnc(-c3ccccc3)c2)C1 ZINC000629551929 350711959 /nfs/dbraw/zinc/71/19/59/350711959.db2.gz XXYXGNPFHPDGHW-SJORKVTESA-N 1 3 281.403 3.108 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1CC(F)(F)F ZINC000629554950 350712350 /nfs/dbraw/zinc/71/23/50/350712350.db2.gz OYZRYHWSORRZQC-GXTWGEPZSA-N 1 3 286.341 3.008 20 0 CGADHO [NH3+]C[C@@H]1CN(CC2CCCCCC2)CC[C@@H]1C(F)(F)F ZINC000629559339 350712619 /nfs/dbraw/zinc/71/26/19/350712619.db2.gz AVPGUBCHVVYPMQ-KGLIPLIRSA-N 1 3 292.389 3.416 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556651 350713132 /nfs/dbraw/zinc/71/31/32/350713132.db2.gz WMJBYAAQDYRUOC-IAQYHMDHSA-N 1 3 291.826 3.081 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000629407498 350689347 /nfs/dbraw/zinc/68/93/47/350689347.db2.gz BSHCOVMLIOANGL-DZJNRPSUSA-N 1 3 272.436 3.443 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000629511456 350699213 /nfs/dbraw/zinc/69/92/13/350699213.db2.gz JCTAJZWKGHRCNF-ZDUSSCGKSA-N 1 3 275.440 3.073 20 0 CGADHO CC(C)(N)C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000629674167 350734514 /nfs/dbraw/zinc/73/45/14/350734514.db2.gz XKLJYTTUEHWNLR-CYBMUJFWSA-N 1 3 252.789 3.044 20 0 CGADHO c1ccc([C@@H]2CN(CC34CC(C3)C[NH2+]4)[C@@H]3CCCC[C@H]23)cc1 ZINC000634995120 351619652 /nfs/dbraw/zinc/61/96/52/351619652.db2.gz VQOWAJMXKVFJLV-FXHOZGQOSA-N 1 3 296.458 3.397 20 0 CGADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1F ZINC000635006571 351624528 /nfs/dbraw/zinc/62/45/28/351624528.db2.gz SGILSWVYQWCEEF-IJLUTSLNSA-N 1 3 268.351 3.133 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCNc3ccccc32)C1 ZINC000635007317 351625596 /nfs/dbraw/zinc/62/55/96/351625596.db2.gz AUSWAZTVFGDXMW-PBHICJAKSA-N 1 3 287.451 3.301 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CCC12CCCC2)Cc1ccccc1 ZINC000635010221 351628439 /nfs/dbraw/zinc/62/84/39/351628439.db2.gz ZDPSEPXTHGSMHY-SJORKVTESA-N 1 3 272.436 3.259 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000635012067 351630417 /nfs/dbraw/zinc/63/04/17/351630417.db2.gz JAVKDFDPXWBDCX-NEPJUHHUSA-N 1 3 261.413 3.078 20 0 CGADHO c1cc2c(cccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[nH]1 ZINC000635012713 351630523 /nfs/dbraw/zinc/63/05/23/351630523.db2.gz NPSIZQQVAOTSJV-RYQLBKOJSA-N 1 3 283.419 3.178 20 0 CGADHO CCCC[C@H](COC)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123674201 187104129 /nfs/dbraw/zinc/10/41/29/187104129.db2.gz IEBHSFVBMFVQFT-QGZVFWFLSA-N 1 3 278.440 3.043 20 0 CGADHO CN1CC[C@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108424 198166449 /nfs/dbraw/zinc/16/64/49/198166449.db2.gz ISFHUCSXZCPEBQ-KRWDZBQOSA-N 1 3 292.854 3.300 20 0 CGADHO CN1CC[C@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC000292108424 198166450 /nfs/dbraw/zinc/16/64/50/198166450.db2.gz ISFHUCSXZCPEBQ-KRWDZBQOSA-N 1 3 292.854 3.300 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000271850076 191367002 /nfs/dbraw/zinc/36/70/02/191367002.db2.gz INRALJCQDXCQDW-NSHDSACASA-N 1 3 282.790 3.392 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000271850076 191367003 /nfs/dbraw/zinc/36/70/03/191367003.db2.gz INRALJCQDXCQDW-NSHDSACASA-N 1 3 282.790 3.392 20 0 CGADHO Cc1cc(C)cc([C@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000271857191 191371643 /nfs/dbraw/zinc/37/16/43/191371643.db2.gz JQZZJEMKVUXMHZ-HNNXBMFYSA-N 1 3 258.409 3.216 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1 ZINC000271872439 191381404 /nfs/dbraw/zinc/38/14/04/191381404.db2.gz MZDMIYOGBPOSLA-OAHLLOKOSA-N 1 3 258.409 3.216 20 0 CGADHO Cc1c([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cnn1C(C)C ZINC000414196019 235360474 /nfs/dbraw/zinc/36/04/74/235360474.db2.gz UXZAYFFNVATBBR-HOCLYGCPSA-N 1 3 292.471 3.155 20 0 CGADHO Cc1c([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196019 235360476 /nfs/dbraw/zinc/36/04/76/235360476.db2.gz UXZAYFFNVATBBR-HOCLYGCPSA-N 1 3 292.471 3.155 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000414809109 235469389 /nfs/dbraw/zinc/46/93/89/235469389.db2.gz TYHIWHXYSYIJNT-PKOBYXMFSA-N 1 3 295.430 3.356 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccccc1F ZINC000093495903 138346309 /nfs/dbraw/zinc/34/63/09/138346309.db2.gz SQLWZMNQBXBWMJ-GDBMZVCRSA-N 1 3 278.415 3.269 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423036609 235960653 /nfs/dbraw/zinc/96/06/53/235960653.db2.gz ASOPAYOWCQOIJR-GDZNZVCISA-N 1 3 276.399 3.477 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423048750 235963780 /nfs/dbraw/zinc/96/37/80/235963780.db2.gz IQUMXGKEJOBKCG-MCIONIFRSA-N 1 3 266.454 3.191 20 0 CGADHO Fc1ccc(CCCC[NH2+][C@@H]2CCCNCC2)cc1F ZINC000423052862 235964036 /nfs/dbraw/zinc/96/40/36/235964036.db2.gz QRGLFERRZYRWIL-CQSZACIVSA-N 1 3 282.378 3.019 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])[C@@H](C)c1nc2ccccc2s1 ZINC000423224176 236000645 /nfs/dbraw/zinc/00/06/45/236000645.db2.gz ILFRESBAESFIIQ-QJPTWQEYSA-N 1 3 277.437 3.115 20 0 CGADHO COC[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423275205 236018246 /nfs/dbraw/zinc/01/82/46/236018246.db2.gz MWFFMNQPSYUXHW-CZUORRHYSA-N 1 3 296.842 3.007 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423312758 236035119 /nfs/dbraw/zinc/03/51/19/236035119.db2.gz VOIFXHQTDWFQLI-ABAIWWIYSA-N 1 3 266.816 3.366 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)c(C)c1 ZINC000423321500 236038442 /nfs/dbraw/zinc/03/84/42/236038442.db2.gz GFUSCZULWBYZBT-WBVHZDCISA-N 1 3 260.425 3.344 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(F)c(Cl)c1 ZINC000423328278 236040510 /nfs/dbraw/zinc/04/05/10/236040510.db2.gz AOCYSOIUJFNJST-JTQLQIEISA-N 1 3 268.763 3.049 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423301892 236031394 /nfs/dbraw/zinc/03/13/94/236031394.db2.gz IMGJRBSPQXEYGC-LSDHHAIUSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423301892 236031396 /nfs/dbraw/zinc/03/13/96/236031396.db2.gz IMGJRBSPQXEYGC-LSDHHAIUSA-N 1 3 298.352 3.151 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000423400800 236064223 /nfs/dbraw/zinc/06/42/23/236064223.db2.gz QJEWENZAWNDINV-DVZHBHJUSA-N 1 3 280.843 3.420 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407905 236066014 /nfs/dbraw/zinc/06/60/14/236066014.db2.gz WMPYUZJAMSXLLN-VMGRFDJRSA-N 1 3 283.419 3.133 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407905 236066017 /nfs/dbraw/zinc/06/60/17/236066017.db2.gz WMPYUZJAMSXLLN-VMGRFDJRSA-N 1 3 283.419 3.133 20 0 CGADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000423453042 236074365 /nfs/dbraw/zinc/07/43/65/236074365.db2.gz XCEBAVFOUPRZEJ-HTTKSJEASA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000424343974 236154456 /nfs/dbraw/zinc/15/44/56/236154456.db2.gz HMVXHMRBVMMOSE-LLLHUVSDSA-N 1 3 288.435 3.076 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425941131 236275058 /nfs/dbraw/zinc/27/50/58/236275058.db2.gz CUCZXBDJZLZRCW-UONOGXRCSA-N 1 3 280.481 3.127 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)CN(C)C ZINC000425948356 236275362 /nfs/dbraw/zinc/27/53/62/236275362.db2.gz AIZYEOWJKSFPRK-XYPHTWIQSA-N 1 3 278.415 3.249 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2)o1 ZINC000435374881 236930596 /nfs/dbraw/zinc/93/05/96/236930596.db2.gz RXCDNXUHHJGGOP-UONOGXRCSA-N 1 3 270.376 3.116 20 0 CGADHO Cc1ccc(NC2CC[NH+](C3CC3)CC2)c(CN(C)C)c1 ZINC000298313717 200392271 /nfs/dbraw/zinc/39/22/71/200392271.db2.gz IAQRQDGVGZSEBF-UHFFFAOYSA-N 1 3 287.451 3.095 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000178364364 189110709 /nfs/dbraw/zinc/11/07/09/189110709.db2.gz KBYCVQBZGZCRKZ-KBPBESRZSA-N 1 3 276.424 3.076 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000178380130 189111592 /nfs/dbraw/zinc/11/15/92/189111592.db2.gz KRXLGKRJNBQIAO-HUUCEWRRSA-N 1 3 278.465 3.159 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178380130 189111593 /nfs/dbraw/zinc/11/15/93/189111593.db2.gz KRXLGKRJNBQIAO-HUUCEWRRSA-N 1 3 278.465 3.159 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423064304 296020900 /nfs/dbraw/zinc/02/09/00/296020900.db2.gz QXBJMMQXIOXZMH-NEPJUHHUSA-N 1 3 293.842 3.090 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182491646 189325461 /nfs/dbraw/zinc/32/54/61/189325461.db2.gz QKOQUINOHAKEMN-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182491646 189325462 /nfs/dbraw/zinc/32/54/62/189325462.db2.gz QKOQUINOHAKEMN-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000182491646 189325463 /nfs/dbraw/zinc/32/54/63/189325463.db2.gz QKOQUINOHAKEMN-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275496442 193058314 /nfs/dbraw/zinc/05/83/14/193058314.db2.gz LRDMMPYRYSOHEW-ROUUACIJSA-N 1 3 270.420 3.174 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000459666315 242168168 /nfs/dbraw/zinc/16/81/68/242168168.db2.gz LPBXTLZGSKQUDJ-IUODEOHRSA-N 1 3 296.817 3.409 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000459742375 242204582 /nfs/dbraw/zinc/20/45/82/242204582.db2.gz VYEQNGIKYJSUGQ-IIAWOOMASA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459742375 242204587 /nfs/dbraw/zinc/20/45/87/242204587.db2.gz VYEQNGIKYJSUGQ-IIAWOOMASA-N 1 3 276.424 3.225 20 0 CGADHO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000477908564 243058568 /nfs/dbraw/zinc/05/85/68/243058568.db2.gz CGHYFSWHSWVAFU-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO COC1(CNC2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000480379913 243147934 /nfs/dbraw/zinc/14/79/34/243147934.db2.gz WBURPGRLEOSXQR-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO COC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCCC1 ZINC000480379913 243147939 /nfs/dbraw/zinc/14/79/39/243147939.db2.gz WBURPGRLEOSXQR-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086249 299387304 /nfs/dbraw/zinc/38/73/04/299387304.db2.gz BLCADQFLKGAPSW-ALYAQQCSSA-N 1 3 264.457 3.418 20 0 CGADHO C[N@H+](CCCNC/C=C/c1ccncc1)Cc1ccccc1 ZINC000486966286 243387745 /nfs/dbraw/zinc/38/77/45/243387745.db2.gz FUUYKBXWPVKITK-WEVVVXLNSA-N 1 3 295.430 3.207 20 0 CGADHO C[N@@H+](CCCNC/C=C/c1ccncc1)Cc1ccccc1 ZINC000486966286 243387749 /nfs/dbraw/zinc/38/77/49/243387749.db2.gz FUUYKBXWPVKITK-WEVVVXLNSA-N 1 3 295.430 3.207 20 0 CGADHO c1ccc2c(c1)cccc2CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994844 368922048 /nfs/dbraw/zinc/92/20/48/368922048.db2.gz UJYVUFHDIBSGTJ-GOSISDBHSA-N 1 3 266.388 3.025 20 0 CGADHO CC(C)C[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037260368 369080588 /nfs/dbraw/zinc/08/05/88/369080588.db2.gz VQKYDEYQFYNREL-CQSZACIVSA-N 1 3 261.413 3.075 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000037644106 369093570 /nfs/dbraw/zinc/09/35/70/369093570.db2.gz XVLZMUZKQNEORO-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644106 369093572 /nfs/dbraw/zinc/09/35/72/369093572.db2.gz XVLZMUZKQNEORO-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(F)cc1 ZINC000037644106 369093575 /nfs/dbraw/zinc/09/35/75/369093575.db2.gz XVLZMUZKQNEORO-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO CC[NH+]1CCC(N[C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000038098215 369144566 /nfs/dbraw/zinc/14/45/66/369144566.db2.gz UIGHIFPOLORYBH-QGZVFWFLSA-N 1 3 276.399 3.351 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000042437627 369220982 /nfs/dbraw/zinc/22/09/82/369220982.db2.gz DCZJTTRMHFSCHP-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO Cc1nc2ccc(C[NH2+]CC(C)(C)CN(C)C)cc2s1 ZINC000494341171 244280845 /nfs/dbraw/zinc/28/08/45/244280845.db2.gz NHSWNHJRONDPMW-UHFFFAOYSA-N 1 3 291.464 3.282 20 0 CGADHO CC(C)CC[NH+]1CCC(CNCc2cncc(F)c2)CC1 ZINC000494598664 244302563 /nfs/dbraw/zinc/30/25/63/244302563.db2.gz RFHRDAXWGCRKQG-UHFFFAOYSA-N 1 3 293.430 3.068 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N(C)CC(C)(C)C[NH3+] ZINC000062017926 369615315 /nfs/dbraw/zinc/61/53/15/369615315.db2.gz DCIIHAVSSMJJLM-LLVKDONJSA-N 1 3 254.805 3.318 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(C)(C)CN ZINC000062017926 369615318 /nfs/dbraw/zinc/61/53/18/369615318.db2.gz DCIIHAVSSMJJLM-LLVKDONJSA-N 1 3 254.805 3.318 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)CN ZINC000062017926 369615321 /nfs/dbraw/zinc/61/53/21/369615321.db2.gz DCIIHAVSSMJJLM-LLVKDONJSA-N 1 3 254.805 3.318 20 0 CGADHO CC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000062077745 369617556 /nfs/dbraw/zinc/61/75/56/369617556.db2.gz NOMWPSNRMKKQSB-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccc(OC)cc1 ZINC000062077745 369617562 /nfs/dbraw/zinc/61/75/62/369617562.db2.gz NOMWPSNRMKKQSB-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000072858630 369840819 /nfs/dbraw/zinc/84/08/19/369840819.db2.gz INAJCEFGJFFQMN-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000072858630 369840826 /nfs/dbraw/zinc/84/08/26/369840826.db2.gz INAJCEFGJFFQMN-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000092383411 370095107 /nfs/dbraw/zinc/09/51/07/370095107.db2.gz BKARWAVVCCOJFK-SFHVURJKSA-N 1 3 288.435 3.148 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000092383755 370096189 /nfs/dbraw/zinc/09/61/89/370096189.db2.gz ILPUROVZBWHVAA-SFHVURJKSA-N 1 3 288.435 3.147 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129585173 370995263 /nfs/dbraw/zinc/99/52/63/370995263.db2.gz IUHGICLPCOYWAR-KEYYUXOJSA-N 1 3 260.425 3.382 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129585173 370995267 /nfs/dbraw/zinc/99/52/67/370995267.db2.gz IUHGICLPCOYWAR-KEYYUXOJSA-N 1 3 260.425 3.382 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130315162 371024793 /nfs/dbraw/zinc/02/47/93/371024793.db2.gz KOOPWTRNBQCLQG-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130315162 371024796 /nfs/dbraw/zinc/02/47/96/371024796.db2.gz KOOPWTRNBQCLQG-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000130883749 371067028 /nfs/dbraw/zinc/06/70/28/371067028.db2.gz UMVMHLVYUYCSQZ-HUUCEWRRSA-N 1 3 268.404 3.490 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)c1cccc2ccccc21 ZINC000130883749 371067030 /nfs/dbraw/zinc/06/70/30/371067030.db2.gz UMVMHLVYUYCSQZ-HUUCEWRRSA-N 1 3 268.404 3.490 20 0 CGADHO CC(C)(C)[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132090758 371150921 /nfs/dbraw/zinc/15/09/21/371150921.db2.gz JSPUOZFZDBKRHF-HOCLYGCPSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)(C)[C@@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132090758 371150924 /nfs/dbraw/zinc/15/09/24/371150924.db2.gz JSPUOZFZDBKRHF-HOCLYGCPSA-N 1 3 260.425 3.363 20 0 CGADHO CC[C@@H](C)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337302273 376203468 /nfs/dbraw/zinc/20/34/68/376203468.db2.gz PHQOLIXSIRNVCI-CQSZACIVSA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@@H](C)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000337302273 376203474 /nfs/dbraw/zinc/20/34/74/376203474.db2.gz PHQOLIXSIRNVCI-CQSZACIVSA-N 1 3 261.413 3.028 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1csc2ccccc12 ZINC000134409644 371334038 /nfs/dbraw/zinc/33/40/38/371334038.db2.gz FNUKAPAAFMPKKH-DOMZBBRYSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1csc2ccccc12 ZINC000134409644 371334042 /nfs/dbraw/zinc/33/40/42/371334042.db2.gz FNUKAPAAFMPKKH-DOMZBBRYSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCC(F)(F)F ZINC000148640741 371522624 /nfs/dbraw/zinc/52/26/24/371522624.db2.gz ZDKMGHHYVDKCJL-VXGBXAGGSA-N 1 3 266.351 3.229 20 0 CGADHO c1ccc(CCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150790210 371539325 /nfs/dbraw/zinc/53/93/25/371539325.db2.gz OJYSHHIYOONHKG-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO c1ccc(CCC[N@@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000150790210 371539331 /nfs/dbraw/zinc/53/93/31/371539331.db2.gz OJYSHHIYOONHKG-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO c1ccc(CCC[N@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000150790210 371539336 /nfs/dbraw/zinc/53/93/36/371539336.db2.gz OJYSHHIYOONHKG-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000152885009 371732408 /nfs/dbraw/zinc/73/24/08/371732408.db2.gz NVIZXIAQOITRBT-DOTOQJQBSA-N 1 3 290.451 3.101 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000152885009 371732416 /nfs/dbraw/zinc/73/24/16/371732416.db2.gz NVIZXIAQOITRBT-DOTOQJQBSA-N 1 3 290.451 3.101 20 0 CGADHO Cc1ccccc1[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000422705667 371760054 /nfs/dbraw/zinc/76/00/54/371760054.db2.gz CQMGSGOAUPSXJZ-ONYGOOLBSA-N 1 3 270.420 3.319 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707761 371761034 /nfs/dbraw/zinc/76/10/34/371761034.db2.gz ATCZGKCNVLKZJS-CHWSQXEVSA-N 1 3 273.207 3.005 20 0 CGADHO CCC(CC)[C@@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422717084 371765497 /nfs/dbraw/zinc/76/54/97/371765497.db2.gz OEFANDGVZQYCEI-SUMWQHHRSA-N 1 3 260.425 3.361 20 0 CGADHO CCC(CC)[C@@H]([NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422717084 371765504 /nfs/dbraw/zinc/76/55/04/371765504.db2.gz OEFANDGVZQYCEI-SUMWQHHRSA-N 1 3 260.425 3.361 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])c1cccs1 ZINC000422733326 371772999 /nfs/dbraw/zinc/77/29/99/371772999.db2.gz AYEDGTJXSUTQFA-STQMWFEESA-N 1 3 266.454 3.275 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCNc1ccccc1 ZINC000422750015 371785134 /nfs/dbraw/zinc/78/51/34/371785134.db2.gz BWLQJKKTBDQFAL-AWEZNQCLSA-N 1 3 298.434 3.002 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422759763 371790613 /nfs/dbraw/zinc/79/06/13/371790613.db2.gz LIFBOSXULRQQNA-NVXWUHKLSA-N 1 3 285.435 3.009 20 0 CGADHO C[C@@H](NCCCCOc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422833901 371831807 /nfs/dbraw/zinc/83/18/07/371831807.db2.gz NBFQZJRLUHDFAO-PBHICJAKSA-N 1 3 294.414 3.105 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772413 371797287 /nfs/dbraw/zinc/79/72/87/371797287.db2.gz YIMVZCZFVDEBDK-KBPBESRZSA-N 1 3 286.341 3.455 20 0 CGADHO CCC(CC)c1cc(CN[C@H](C)CCCC[NH3+])on1 ZINC000422782614 371804296 /nfs/dbraw/zinc/80/42/96/371804296.db2.gz JWDXQMVJOVISSL-GFCCVEGCSA-N 1 3 267.417 3.185 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC000422787289 371808205 /nfs/dbraw/zinc/80/82/05/371808205.db2.gz UNFTXRDWMDQSOE-DYVFJYSZSA-N 1 3 260.425 3.090 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422795153 371813995 /nfs/dbraw/zinc/81/39/95/371813995.db2.gz ZRFUESOTZPOKGO-BPLDGKMQSA-N 1 3 275.440 3.468 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000422799486 371815014 /nfs/dbraw/zinc/81/50/14/371815014.db2.gz WYJQQACACJGUSQ-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Oc1ccc(Cl)cc1 ZINC000422797457 371816673 /nfs/dbraw/zinc/81/66/73/371816673.db2.gz MPHNVXYOGWEOGZ-DVOMOZLQSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422797457 371816678 /nfs/dbraw/zinc/81/66/78/371816678.db2.gz MPHNVXYOGWEOGZ-DVOMOZLQSA-N 1 3 296.842 3.214 20 0 CGADHO CC(C)CSCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000154121220 371818386 /nfs/dbraw/zinc/81/83/86/371818386.db2.gz XAZYOVOWSAUNGS-INIZCTEOSA-N 1 3 284.513 3.183 20 0 CGADHO CC(C)CSCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000154121220 371818396 /nfs/dbraw/zinc/81/83/96/371818396.db2.gz XAZYOVOWSAUNGS-INIZCTEOSA-N 1 3 284.513 3.183 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000422813033 371824516 /nfs/dbraw/zinc/82/45/16/371824516.db2.gz RHZZHYKETDWJSU-IXDOHACOSA-N 1 3 260.425 3.143 20 0 CGADHO CC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)Oc1ccccc1F ZINC000422814819 371826670 /nfs/dbraw/zinc/82/66/70/371826670.db2.gz AGNLVZQJGMQULQ-YCPHGPKFSA-N 1 3 294.414 3.103 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1cccc2cccnc21 ZINC000422816497 371827360 /nfs/dbraw/zinc/82/73/60/371827360.db2.gz FMEZHFVWFKZWBY-IAGOWNOFSA-N 1 3 283.419 3.027 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422814898 371827607 /nfs/dbraw/zinc/82/76/07/371827607.db2.gz WIYKDKCHKBYRIT-BPQIPLTHSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000422815744 371827740 /nfs/dbraw/zinc/82/77/40/371827740.db2.gz YHFJWNUJNLGKRY-UJJTZGENSA-N 1 3 270.420 3.319 20 0 CGADHO Cc1ccc(OCCCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422864200 371845438 /nfs/dbraw/zinc/84/54/38/371845438.db2.gz UOSVOUDEMCCBNQ-IAGOWNOFSA-N 1 3 276.424 3.014 20 0 CGADHO CSc1cc(C)ccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422871203 371847001 /nfs/dbraw/zinc/84/70/01/371847001.db2.gz CSVVYPOAWAOWED-DZGCQCFKSA-N 1 3 278.465 3.324 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422888182 371855983 /nfs/dbraw/zinc/85/59/83/371855983.db2.gz BYJGEQMPZOOTKY-MJBXVCDLSA-N 1 3 294.439 3.260 20 0 CGADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897204 371859692 /nfs/dbraw/zinc/85/96/92/371859692.db2.gz BMCHJTAYDJZNNE-YVEFUNNKSA-N 1 3 290.357 3.013 20 0 CGADHO CC(C)(CN[C@H]1CCC[NH2+]CC1)c1c(F)cccc1Cl ZINC000422916965 371867499 /nfs/dbraw/zinc/86/74/99/371867499.db2.gz CDIPYPDCAUFQKM-LBPRGKRZSA-N 1 3 298.833 3.488 20 0 CGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1c(F)cccc1Cl ZINC000422918558 371870331 /nfs/dbraw/zinc/87/03/31/371870331.db2.gz HOERRMJBXVIOEL-VHSXEESVSA-N 1 3 258.768 3.257 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422930542 371875166 /nfs/dbraw/zinc/87/51/66/371875166.db2.gz UXTWPGCEZJOSEU-GJZGRUSLSA-N 1 3 260.425 3.115 20 0 CGADHO CC[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422930072 371876273 /nfs/dbraw/zinc/87/62/73/371876273.db2.gz SAGVRIFSLZFJFM-GZBFAFLISA-N 1 3 296.842 3.085 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422840507 371837410 /nfs/dbraw/zinc/83/74/10/371837410.db2.gz TVVBXIPJRDTARH-IGCXYCKISA-N 1 3 276.399 3.181 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847656 371839014 /nfs/dbraw/zinc/83/90/14/371839014.db2.gz IPPSEKRLNGZHMY-ZWKOTPCHSA-N 1 3 288.435 3.368 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000422847998 371839220 /nfs/dbraw/zinc/83/92/20/371839220.db2.gz JCSPRKOVUHLJOE-IGQOVBAYSA-N 1 3 292.389 3.475 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423048751 371934460 /nfs/dbraw/zinc/93/44/60/371934460.db2.gz IQUMXGKEJOBKCG-MJBXVCDLSA-N 1 3 266.454 3.191 20 0 CGADHO COCCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCCCC1 ZINC000423060409 371939570 /nfs/dbraw/zinc/93/95/70/371939570.db2.gz ICRSAZNNJCAHRT-CVEARBPZSA-N 1 3 282.472 3.081 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423061353 371942162 /nfs/dbraw/zinc/94/21/62/371942162.db2.gz KKPBZYYCVBWXNJ-RDJZCZTQSA-N 1 3 278.415 3.256 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422949707 371888858 /nfs/dbraw/zinc/88/88/58/371888858.db2.gz VYZPFNFWJRZRGS-GOEBONIOSA-N 1 3 280.843 3.380 20 0 CGADHO COc1cccc(C[C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422957881 371890542 /nfs/dbraw/zinc/89/05/42/371890542.db2.gz VTZGGRZEKZDQID-FASAQXTFSA-N 1 3 296.414 3.361 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1F ZINC000422958847 371892382 /nfs/dbraw/zinc/89/23/82/371892382.db2.gz QFOJKIABTJGZHH-FVQBIDKESA-N 1 3 294.389 3.018 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422967490 371894945 /nfs/dbraw/zinc/89/49/45/371894945.db2.gz CALHCYCTUQZKHV-INMHGKMJSA-N 1 3 290.451 3.224 20 0 CGADHO Fc1ccc(CC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422984936 371902158 /nfs/dbraw/zinc/90/21/58/371902158.db2.gz BPXWJYKZWCRZOR-SJPCQFCGSA-N 1 3 288.410 3.021 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)c2ccccc21 ZINC000422989855 371904063 /nfs/dbraw/zinc/90/40/63/371904063.db2.gz MHIJPEIOWIDWCG-ZLKJLUDKSA-N 1 3 266.335 3.299 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422994006 371906062 /nfs/dbraw/zinc/90/60/62/371906062.db2.gz UNGWUTNAFATKII-MKFRZFLASA-N 1 3 298.474 3.473 20 0 CGADHO Cc1cc([C@H](N[C@H](C)C[C@H](C)[NH3+])C2CC2)ccc1F ZINC000423009348 371914158 /nfs/dbraw/zinc/91/41/58/371914158.db2.gz CUXXEFNFXKAJGH-HWWQOWPSSA-N 1 3 264.388 3.301 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000423025912 371921955 /nfs/dbraw/zinc/92/19/55/371921955.db2.gz PLVJZYRQIYEMSX-DYVFJYSZSA-N 1 3 287.382 3.027 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423093417 371958921 /nfs/dbraw/zinc/95/89/21/371958921.db2.gz HJRVCYOSBWXGDX-BYNSBNAKSA-N 1 3 286.410 3.322 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101988 371965902 /nfs/dbraw/zinc/96/59/02/371965902.db2.gz WTISKHJJBVGYHO-NXNVCVFFSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423105231 371967491 /nfs/dbraw/zinc/96/74/91/371967491.db2.gz YRKNLGRMSITJKO-YFEARMNXSA-N 1 3 284.806 3.383 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)c2ccccc21 ZINC000423104457 371968424 /nfs/dbraw/zinc/96/84/24/371968424.db2.gz BKXFRPIYLNWGPU-KBUPBQIOSA-N 1 3 296.361 3.271 20 0 CGADHO N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)c2ccccc21 ZINC000423172822 372001957 /nfs/dbraw/zinc/00/19/57/372001957.db2.gz VLLOEYJCUCFWCN-DZJNRPSUSA-N 1 3 282.362 3.416 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423126868 371979015 /nfs/dbraw/zinc/97/90/15/371979015.db2.gz JEYCMDDPTPQZLR-KSZLIROESA-N 1 3 272.436 3.287 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423128181 371980690 /nfs/dbraw/zinc/98/06/90/371980690.db2.gz KNBYQWYSJNTVAY-ZTFGCOKTSA-N 1 3 272.436 3.158 20 0 CGADHO Cc1cc(CC[NH2+][C@H]2CCCC[C@H]2CN)ccc1Cl ZINC000423131636 371982792 /nfs/dbraw/zinc/98/27/92/371982792.db2.gz BEHSZDYRCMICJU-HOCLYGCPSA-N 1 3 280.843 3.298 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423170270 372002682 /nfs/dbraw/zinc/00/26/82/372002682.db2.gz XQLUIVDJJVJLCI-ZOFXXKQRSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1c1ccccc1)C1CNC1 ZINC000423163706 371998388 /nfs/dbraw/zinc/99/83/88/371998388.db2.gz RMDDBCYORHQQCL-ZVZYQTTQSA-N 1 3 272.436 3.158 20 0 CGADHO Clc1cccc(CC2(C[NH2+][C@@H]3CCCNCC3)CC2)c1 ZINC000423165926 371998615 /nfs/dbraw/zinc/99/86/15/371998615.db2.gz BTVJRQWHQCZEOX-MRXNPFEDSA-N 1 3 292.854 3.394 20 0 CGADHO Clc1cccc(CC2(CN[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000423165926 371998620 /nfs/dbraw/zinc/99/86/20/371998620.db2.gz BTVJRQWHQCZEOX-MRXNPFEDSA-N 1 3 292.854 3.394 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423069652 371945965 /nfs/dbraw/zinc/94/59/65/371945965.db2.gz FBPUZPZPIMERRZ-XJNFMUPTSA-N 1 3 260.425 3.428 20 0 CGADHO Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000423191522 372016735 /nfs/dbraw/zinc/01/67/35/372016735.db2.gz UKIXGCZURYEVQI-WMLDXEAASA-N 1 3 292.854 3.393 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(OC(F)F)cc1 ZINC000423193410 372019233 /nfs/dbraw/zinc/01/92/33/372019233.db2.gz QNXXXHLMJBNSPM-OCCSQVGLSA-N 1 3 284.350 3.081 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423194348 372019567 /nfs/dbraw/zinc/01/95/67/372019567.db2.gz RHTVRBIVPSTCQX-KBPBESRZSA-N 1 3 286.341 3.280 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CCN1 ZINC000423396582 372060402 /nfs/dbraw/zinc/06/04/02/372060402.db2.gz UHIVIDXGJGOJPG-VMUDFCTBSA-N 1 3 258.409 3.355 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423205783 372028880 /nfs/dbraw/zinc/02/88/80/372028880.db2.gz BKWOKMAYEHXNAT-RWMBFGLXSA-N 1 3 252.427 3.095 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423205783 372028885 /nfs/dbraw/zinc/02/88/85/372028885.db2.gz BKWOKMAYEHXNAT-RWMBFGLXSA-N 1 3 252.427 3.095 20 0 CGADHO Cc1cc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc(C)c1F ZINC000158265596 372062333 /nfs/dbraw/zinc/06/23/33/372062333.db2.gz LRNPVKLQOUKFDH-CABCVRRESA-N 1 3 278.415 3.435 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000423219406 372038563 /nfs/dbraw/zinc/03/85/63/372038563.db2.gz WMJHMROCRKVTPN-KGLIPLIRSA-N 1 3 266.454 3.425 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H]1CCCNC1)c1cccs1 ZINC000423219406 372038567 /nfs/dbraw/zinc/03/85/67/372038567.db2.gz WMJHMROCRKVTPN-KGLIPLIRSA-N 1 3 266.454 3.425 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](N)C2CC2)c2ccccc21 ZINC000423339156 372053124 /nfs/dbraw/zinc/05/31/24/372053124.db2.gz ZGSDDXYDYGRHJO-BBWFWOEESA-N 1 3 258.409 3.198 20 0 CGADHO Cc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1F ZINC000158265596 372062338 /nfs/dbraw/zinc/06/23/38/372062338.db2.gz LRNPVKLQOUKFDH-CABCVRRESA-N 1 3 278.415 3.435 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)c2sccc21 ZINC000423381984 372058926 /nfs/dbraw/zinc/05/89/26/372058926.db2.gz DDXUIAZTGKHGJD-XWUBHJNHSA-N 1 3 264.438 3.274 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)c2sccc21 ZINC000423381984 372058928 /nfs/dbraw/zinc/05/89/28/372058928.db2.gz DDXUIAZTGKHGJD-XWUBHJNHSA-N 1 3 264.438 3.274 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)NCC2([NH3+])CCCCC2)cc1 ZINC000423178487 372006388 /nfs/dbraw/zinc/00/63/88/372006388.db2.gz KPUSDOREFXCNPJ-CABCVRRESA-N 1 3 290.451 3.438 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423177397 372006688 /nfs/dbraw/zinc/00/66/88/372006688.db2.gz DUJLXVKEYZFETO-ADEWGFFLSA-N 1 3 284.856 3.235 20 0 CGADHO C[C@@H](NC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423177397 372006692 /nfs/dbraw/zinc/00/66/92/372006692.db2.gz DUJLXVKEYZFETO-ADEWGFFLSA-N 1 3 284.856 3.235 20 0 CGADHO [NH3+]CCCN[C@H]1CCCCc2cc(Br)ccc21 ZINC000423180480 372008817 /nfs/dbraw/zinc/00/88/17/372008817.db2.gz DZCBNHVJVQMJDN-AWEZNQCLSA-N 1 3 297.240 3.155 20 0 CGADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(C)s2)CC1 ZINC000159046465 372101967 /nfs/dbraw/zinc/10/19/67/372101967.db2.gz OIHWLXHUBXWFDL-AWEZNQCLSA-N 1 3 296.480 3.208 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1SC ZINC000425338259 372121558 /nfs/dbraw/zinc/12/15/58/372121558.db2.gz AXGFKKUASXTNBB-VGWMRTNUSA-N 1 3 284.513 3.371 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@@H]1SC ZINC000425338259 372121563 /nfs/dbraw/zinc/12/15/63/372121563.db2.gz AXGFKKUASXTNBB-VGWMRTNUSA-N 1 3 284.513 3.371 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cc2ccccc2o1 ZINC000344312679 217145307 /nfs/dbraw/zinc/14/53/07/217145307.db2.gz XJBWELDKHSIDFU-CYBMUJFWSA-N 1 3 270.376 3.345 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc2ccccc2o1 ZINC000344312679 217145310 /nfs/dbraw/zinc/14/53/10/217145310.db2.gz XJBWELDKHSIDFU-CYBMUJFWSA-N 1 3 270.376 3.345 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000344339203 217156445 /nfs/dbraw/zinc/15/64/45/217156445.db2.gz WFIWQPNFRSTKHC-LBPRGKRZSA-N 1 3 276.449 3.149 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000429554377 372373228 /nfs/dbraw/zinc/37/32/28/372373228.db2.gz JEVLBPZRVNJUDV-APWZRJJASA-N 1 3 286.463 3.208 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000429554377 372373232 /nfs/dbraw/zinc/37/32/32/372373232.db2.gz JEVLBPZRVNJUDV-APWZRJJASA-N 1 3 286.463 3.208 20 0 CGADHO Cc1sccc1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000293427659 372381682 /nfs/dbraw/zinc/38/16/82/372381682.db2.gz AWEMFIPNOAHAJT-ZIAGYGMSSA-N 1 3 252.427 3.019 20 0 CGADHO C[C@@H]1CN(CCCc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430958531 372410239 /nfs/dbraw/zinc/41/02/39/372410239.db2.gz YFTONIIGPXKYDL-BEFAXECRSA-N 1 3 282.431 3.442 20 0 CGADHO CC1=CC[C@H]([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000293550386 372410287 /nfs/dbraw/zinc/41/02/87/372410287.db2.gz GXQBHVOMBYALDP-KRWDZBQOSA-N 1 3 258.409 3.337 20 0 CGADHO C[C@H](c1ccccc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431016021 372416870 /nfs/dbraw/zinc/41/68/70/372416870.db2.gz YFZZCEIVESBGMA-CYBMUJFWSA-N 1 3 278.827 3.477 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)CCS2 ZINC000293364281 372366494 /nfs/dbraw/zinc/36/64/94/372366494.db2.gz HOVJTPVIAFHXDF-IUODEOHRSA-N 1 3 294.464 3.019 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)s1)CN(C)C ZINC000293765499 372474996 /nfs/dbraw/zinc/47/49/96/372474996.db2.gz SINMFWQMZJHRQS-ZJUUUORDSA-N 1 3 260.834 3.250 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@H](C)CN(C)C)c(C)s1 ZINC000293670868 372444922 /nfs/dbraw/zinc/44/49/22/372444922.db2.gz MOSGIBFBTMZJEB-JQWIXIFHSA-N 1 3 254.443 3.213 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000163224934 372454807 /nfs/dbraw/zinc/45/48/07/372454807.db2.gz GUTMZMCBGMCUIY-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224934 372454811 /nfs/dbraw/zinc/45/48/11/372454811.db2.gz GUTMZMCBGMCUIY-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224934 372454815 /nfs/dbraw/zinc/45/48/15/372454815.db2.gz GUTMZMCBGMCUIY-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000163313995 372461899 /nfs/dbraw/zinc/46/18/99/372461899.db2.gz HBRNEAUDQBPLSU-GJZGRUSLSA-N 1 3 278.415 3.435 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000166558154 372576589 /nfs/dbraw/zinc/57/65/89/372576589.db2.gz TYYFBNJVELJPPZ-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166558154 372576598 /nfs/dbraw/zinc/57/65/98/372576598.db2.gz TYYFBNJVELJPPZ-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CCN(CCOc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435630159 372786572 /nfs/dbraw/zinc/78/65/72/372786572.db2.gz VWYMYHVYGAOENJ-AWEZNQCLSA-N 1 3 296.842 3.183 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCc1cccc2ccccc21 ZINC000442780560 373078360 /nfs/dbraw/zinc/07/83/60/373078360.db2.gz NZRLJYCHADGVRR-JKSUJKDBSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCc1cccc2ccccc21 ZINC000442780560 373078366 /nfs/dbraw/zinc/07/83/66/373078366.db2.gz NZRLJYCHADGVRR-JKSUJKDBSA-N 1 3 282.431 3.442 20 0 CGADHO C(C1CCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000173644283 373170503 /nfs/dbraw/zinc/17/05/03/373170503.db2.gz LRDVAUVYXPIPHW-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919006 373216383 /nfs/dbraw/zinc/21/63/83/373216383.db2.gz BPGYMCLWCKIAMF-WMZOPIPTSA-N 1 3 274.452 3.281 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC000173919006 373216391 /nfs/dbraw/zinc/21/63/91/373216391.db2.gz BPGYMCLWCKIAMF-WMZOPIPTSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCc2ccccc2)C1 ZINC000173919006 373216406 /nfs/dbraw/zinc/21/64/06/373216406.db2.gz BPGYMCLWCKIAMF-WMZOPIPTSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CCc2ccccc2)C1 ZINC000173919006 373216413 /nfs/dbraw/zinc/21/64/13/373216413.db2.gz BPGYMCLWCKIAMF-WMZOPIPTSA-N 1 3 274.452 3.281 20 0 CGADHO c1cc(N2CCC([NH2+]CC3=CCCCC3)CC2)ccn1 ZINC000297421300 373270361 /nfs/dbraw/zinc/27/03/61/373270361.db2.gz MLAWEUAUSAQUHC-UHFFFAOYSA-N 1 3 271.408 3.140 20 0 CGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc(O)c1 ZINC000298180433 373291537 /nfs/dbraw/zinc/29/15/37/373291537.db2.gz VMWLSHMLRQOOIL-AWEZNQCLSA-N 1 3 297.402 3.107 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000298513234 373344520 /nfs/dbraw/zinc/34/45/20/373344520.db2.gz RALFHIJIJPWVHO-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNCCc2cccc(Cl)c2)C1 ZINC000298513234 373344533 /nfs/dbraw/zinc/34/45/33/373344533.db2.gz RALFHIJIJPWVHO-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNCCc2cccc(Cl)c2)C1 ZINC000298513234 373344542 /nfs/dbraw/zinc/34/45/42/373344542.db2.gz RALFHIJIJPWVHO-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO COCC1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000449063257 373657985 /nfs/dbraw/zinc/65/79/85/373657985.db2.gz OHPFPONAKPNIEI-GTPINHCMSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCOC3(C)C)CC2)C1 ZINC000449412150 373689073 /nfs/dbraw/zinc/68/90/73/373689073.db2.gz BLZJDGJKIXOTLL-HYVNUMGLSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC3(C)C)CC2)C1 ZINC000449412150 373689079 /nfs/dbraw/zinc/68/90/79/373689079.db2.gz BLZJDGJKIXOTLL-HYVNUMGLSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](CCCCO)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449430093 373707025 /nfs/dbraw/zinc/70/70/25/373707025.db2.gz WHOKBVQVGQWRGS-NUJGCVRESA-N 1 3 296.499 3.170 20 0 CGADHO Cc1nc2ccccc2c(N2CCC[C@H]([NH+](C)C)C2)c1C ZINC000302100106 373820860 /nfs/dbraw/zinc/82/08/60/373820860.db2.gz URAKLESMGFWOHJ-HNNXBMFYSA-N 1 3 283.419 3.382 20 0 CGADHO Cc1cc(NC[C@@H](C)N2CCc3sccc3C2)cc[nH+]1 ZINC000302279933 373848150 /nfs/dbraw/zinc/84/81/50/373848150.db2.gz IWCDDVMTPAKNTL-CYBMUJFWSA-N 1 3 287.432 3.310 20 0 CGADHO FC1(F)CCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450430457 374122911 /nfs/dbraw/zinc/12/29/11/374122911.db2.gz RVFFAKAKXINQGK-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450430457 374122917 /nfs/dbraw/zinc/12/29/17/374122917.db2.gz RVFFAKAKXINQGK-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000450430457 374122922 /nfs/dbraw/zinc/12/29/22/374122922.db2.gz RVFFAKAKXINQGK-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000310744365 374223379 /nfs/dbraw/zinc/22/33/79/374223379.db2.gz IKGADGVELRLICW-QWHCGFSZSA-N 1 3 268.832 3.058 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1c(F)cccc1F ZINC000310940787 374229789 /nfs/dbraw/zinc/22/97/89/374229789.db2.gz WOGXJMKVFFPPBN-QWRGUYRKSA-N 1 3 256.340 3.133 20 0 CGADHO COc1ccc(F)cc1[C@H](C)N[C@H](C)CCCC[NH3+] ZINC000311965228 374264325 /nfs/dbraw/zinc/26/43/25/374264325.db2.gz LXOMPHHLMZAWNS-NEPJUHHUSA-N 1 3 268.376 3.002 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000183033271 374358282 /nfs/dbraw/zinc/35/82/82/374358282.db2.gz JTNLDFHQWITBRA-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO COC1(C[NH2+]CCCN2CCCC[C@H]2C)CCCCC1 ZINC000319703294 374347691 /nfs/dbraw/zinc/34/76/91/374347691.db2.gz SEDLDVVBFUQXAY-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO COC1(CNCCC[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000319703294 374347693 /nfs/dbraw/zinc/34/76/93/374347693.db2.gz SEDLDVVBFUQXAY-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO COC1(CNCCC[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC000319703294 374347695 /nfs/dbraw/zinc/34/76/95/374347695.db2.gz SEDLDVVBFUQXAY-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO Cc1csc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000453330407 374424439 /nfs/dbraw/zinc/42/44/39/374424439.db2.gz YTWVBYAKGLXGDJ-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000453330407 374424445 /nfs/dbraw/zinc/42/44/45/374424445.db2.gz YTWVBYAKGLXGDJ-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000453330407 374424447 /nfs/dbraw/zinc/42/44/47/374424447.db2.gz YTWVBYAKGLXGDJ-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO C[C@@H](CC[NH2+]C[C@@H]1CC=CCC1)N1CCCCC1 ZINC000184341327 374515199 /nfs/dbraw/zinc/51/51/99/374515199.db2.gz IJFDLQXXPOBHBN-JKSUJKDBSA-N 1 3 250.430 3.197 20 0 CGADHO Fc1cc(F)cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250726276 189967858 /nfs/dbraw/zinc/96/78/58/189967858.db2.gz COHPTKDPDDQEKW-BRWVUGGUSA-N 1 3 294.389 3.018 20 0 CGADHO c1ccc2c(c1)C[C@@H]2CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093489585 541980988 /nfs/dbraw/zinc/98/09/88/541980988.db2.gz YCECAOKEFZVBOJ-OQIJWPOYSA-N 1 3 284.447 3.227 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000093489585 541980992 /nfs/dbraw/zinc/98/09/92/541980992.db2.gz YCECAOKEFZVBOJ-OQIJWPOYSA-N 1 3 284.447 3.227 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000186291181 374828154 /nfs/dbraw/zinc/82/81/54/374828154.db2.gz KKLXOHSGNWGBRF-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000186404892 374845191 /nfs/dbraw/zinc/84/51/91/374845191.db2.gz KZHGCAOPZJHMJG-GOSISDBHSA-N 1 3 285.435 3.150 20 0 CGADHO C[C@H](CN[C@@H]1c2ccccc2C[C@H]1C)C[NH+]1CCCC1 ZINC000481313644 375164131 /nfs/dbraw/zinc/16/41/31/375164131.db2.gz OIEKSGWDUJBXJV-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)CN1CCCC1 ZINC000481313644 375164139 /nfs/dbraw/zinc/16/41/39/375164139.db2.gz OIEKSGWDUJBXJV-RKVPGOIHSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CC=CC2)CC1 ZINC000122112182 542022868 /nfs/dbraw/zinc/02/28/68/542022868.db2.gz OJKOWFSIFMSARL-PBHICJAKSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC=CC2)CC1 ZINC000122112182 542022870 /nfs/dbraw/zinc/02/28/70/542022870.db2.gz OJKOWFSIFMSARL-PBHICJAKSA-N 1 3 262.441 3.338 20 0 CGADHO FC1(F)CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000336252941 375764770 /nfs/dbraw/zinc/76/47/70/375764770.db2.gz DEPDNIOEKBWBQZ-ZIAGYGMSSA-N 1 3 272.383 3.028 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000509119793 375771077 /nfs/dbraw/zinc/77/10/77/375771077.db2.gz DDCUYBLNYFQDEP-KKUMJFAQSA-N 1 3 258.425 3.225 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1Cl ZINC000520935318 375872494 /nfs/dbraw/zinc/87/24/94/375872494.db2.gz QFRZPDBIVKNSSR-NEPJUHHUSA-N 1 3 284.831 3.197 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CN(C)C ZINC000336732730 375925518 /nfs/dbraw/zinc/92/55/18/375925518.db2.gz ZTVWKEXNPQLZCE-NEPJUHHUSA-N 1 3 254.805 3.188 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000536827199 376133890 /nfs/dbraw/zinc/13/38/90/376133890.db2.gz POTBGIXFKYBGQZ-FUHWJXTLSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951355 376136812 /nfs/dbraw/zinc/13/68/12/376136812.db2.gz CNBGJBHMGCRXJP-RDTXWAMCSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951355 376136824 /nfs/dbraw/zinc/13/68/24/376136824.db2.gz CNBGJBHMGCRXJP-RDTXWAMCSA-N 1 3 272.436 3.343 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C\c2ccccc2)CC1 ZINC000216137500 376159339 /nfs/dbraw/zinc/15/93/39/376159339.db2.gz HGORCILYZFUOLV-TWGQIWQCSA-N 1 3 258.409 3.021 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@@H](C)C2(CCC2)C1 ZINC000338276616 376308182 /nfs/dbraw/zinc/30/81/82/376308182.db2.gz BTUNQUDXKKQCFA-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000338276616 376308189 /nfs/dbraw/zinc/30/81/89/376308189.db2.gz BTUNQUDXKKQCFA-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000338276616 376308193 /nfs/dbraw/zinc/30/81/93/376308193.db2.gz BTUNQUDXKKQCFA-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC1(CC)[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@@H]1OC ZINC000539498542 376315678 /nfs/dbraw/zinc/31/56/78/376315678.db2.gz PZVWDOOYBZFCRJ-CABCVRRESA-N 1 3 296.499 3.479 20 0 CGADHO CCC1(CC)[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1OC ZINC000539498542 376315682 /nfs/dbraw/zinc/31/56/82/376315682.db2.gz PZVWDOOYBZFCRJ-CABCVRRESA-N 1 3 296.499 3.479 20 0 CGADHO CCC1(CC)[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C[C@@H]1OC ZINC000539498543 376316369 /nfs/dbraw/zinc/31/63/69/376316369.db2.gz PZVWDOOYBZFCRJ-GJZGRUSLSA-N 1 3 296.499 3.479 20 0 CGADHO CCC1(CC)[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1OC ZINC000539498543 376316373 /nfs/dbraw/zinc/31/63/73/376316373.db2.gz PZVWDOOYBZFCRJ-GJZGRUSLSA-N 1 3 296.499 3.479 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cc2c(s1)CCCC2 ZINC000539066723 376289919 /nfs/dbraw/zinc/28/99/19/376289919.db2.gz QFUUOYKFWDCOOB-IUODEOHRSA-N 1 3 278.465 3.057 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cc2c(s1)CCCC2 ZINC000539066723 376289924 /nfs/dbraw/zinc/28/99/24/376289924.db2.gz QFUUOYKFWDCOOB-IUODEOHRSA-N 1 3 278.465 3.057 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000539066720 376290073 /nfs/dbraw/zinc/29/00/73/376290073.db2.gz QFUUOYKFWDCOOB-DOMZBBRYSA-N 1 3 278.465 3.057 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000539066720 376290075 /nfs/dbraw/zinc/29/00/75/376290075.db2.gz QFUUOYKFWDCOOB-DOMZBBRYSA-N 1 3 278.465 3.057 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](CN(C)CC)C2)C1 ZINC000541536097 376454600 /nfs/dbraw/zinc/45/46/00/376454600.db2.gz YAJHHHDRQUZRAX-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](CN(C)CC)C2)C1 ZINC000541536097 376454603 /nfs/dbraw/zinc/45/46/03/376454603.db2.gz YAJHHHDRQUZRAX-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000542670830 376568076 /nfs/dbraw/zinc/56/80/76/376568076.db2.gz NTDCAIDNNCQKSZ-YOEHRIQHSA-N 1 3 276.424 3.361 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)c1nccs1 ZINC000235477331 376641121 /nfs/dbraw/zinc/64/11/21/376641121.db2.gz YWFYMCJBLNWPKN-MGPQQGTHSA-N 1 3 281.469 3.147 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236610170 376672277 /nfs/dbraw/zinc/67/22/77/376672277.db2.gz XLFMWJRMWAEADT-OAHLLOKOSA-N 1 3 285.435 3.378 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340175696 376936061 /nfs/dbraw/zinc/93/60/61/376936061.db2.gz GLRCPBKNVXBIBN-HNNXBMFYSA-N 1 3 290.451 3.183 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340175696 376936067 /nfs/dbraw/zinc/93/60/67/376936067.db2.gz GLRCPBKNVXBIBN-HNNXBMFYSA-N 1 3 290.451 3.183 20 0 CGADHO CCCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340374007 377024986 /nfs/dbraw/zinc/02/49/86/377024986.db2.gz WRDHIWMSNYYJAS-QGZVFWFLSA-N 1 3 260.425 3.383 20 0 CGADHO CCCN(CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000340374007 377024993 /nfs/dbraw/zinc/02/49/93/377024993.db2.gz WRDHIWMSNYYJAS-QGZVFWFLSA-N 1 3 260.425 3.383 20 0 CGADHO C(C1CCCC1)N1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000558229183 376984985 /nfs/dbraw/zinc/98/49/85/376984985.db2.gz XLPXMPHULFIEAZ-MSOLQXFVSA-N 1 3 276.468 3.419 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246922426 377120024 /nfs/dbraw/zinc/12/00/24/377120024.db2.gz GNCQRVOBXUSXAK-SOLBZPMBSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246922426 377120030 /nfs/dbraw/zinc/12/00/30/377120030.db2.gz GNCQRVOBXUSXAK-SOLBZPMBSA-N 1 3 290.451 3.001 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000246841540 377101639 /nfs/dbraw/zinc/10/16/39/377101639.db2.gz BOXOVJHDLKZTBA-INMHGKMJSA-N 1 3 258.409 3.136 20 0 CGADHO COc1c(C)cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000561395728 377225296 /nfs/dbraw/zinc/22/52/96/377225296.db2.gz LKDQUCJKGLSCNW-RDJZCZTQSA-N 1 3 290.451 3.084 20 0 CGADHO COc1c(C)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000561395728 377225303 /nfs/dbraw/zinc/22/53/03/377225303.db2.gz LKDQUCJKGLSCNW-RDJZCZTQSA-N 1 3 290.451 3.084 20 0 CGADHO CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247971842 377248942 /nfs/dbraw/zinc/24/89/42/377248942.db2.gz HLAPITKTVASMFV-ROUUACIJSA-N 1 3 272.436 3.381 20 0 CGADHO CC(C)[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247971842 377248948 /nfs/dbraw/zinc/24/89/48/377248948.db2.gz HLAPITKTVASMFV-ROUUACIJSA-N 1 3 272.436 3.381 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043122 377260772 /nfs/dbraw/zinc/26/07/72/377260772.db2.gz MIUAUZHKHOYABL-ROUUACIJSA-N 1 3 290.426 3.317 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000248043122 377260778 /nfs/dbraw/zinc/26/07/78/377260778.db2.gz MIUAUZHKHOYABL-ROUUACIJSA-N 1 3 290.426 3.317 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCOC2CCCCCC2)[C@@H](C)C1 ZINC000248170479 377274569 /nfs/dbraw/zinc/27/45/69/377274569.db2.gz UQEHNINKMWOMLW-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@H+]1CC[C@H](NCCOC2CCCCCC2)[C@@H](C)C1 ZINC000248170479 377274574 /nfs/dbraw/zinc/27/45/74/377274574.db2.gz UQEHNINKMWOMLW-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000248173688 377277597 /nfs/dbraw/zinc/27/75/97/377277597.db2.gz VFASIYSHAFSELD-HBUWYVDXSA-N 1 3 290.426 3.381 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000248173688 377277604 /nfs/dbraw/zinc/27/76/04/377277604.db2.gz VFASIYSHAFSELD-HBUWYVDXSA-N 1 3 290.426 3.381 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)CC1 ZINC000562206027 377284995 /nfs/dbraw/zinc/28/49/95/377284995.db2.gz VBQPKMGITJMQCD-FQEVSTJZSA-N 1 3 298.474 3.065 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)CC1 ZINC000562206027 377284999 /nfs/dbraw/zinc/28/49/99/377284999.db2.gz VBQPKMGITJMQCD-FQEVSTJZSA-N 1 3 298.474 3.065 20 0 CGADHO CC[C@@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000248373464 377299444 /nfs/dbraw/zinc/29/94/44/377299444.db2.gz JDJGZGYEJXBGTH-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000248373464 377299449 /nfs/dbraw/zinc/29/94/49/377299449.db2.gz JDJGZGYEJXBGTH-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H](C)[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000248373464 377299454 /nfs/dbraw/zinc/29/94/54/377299454.db2.gz JDJGZGYEJXBGTH-CVEARBPZSA-N 1 3 252.446 3.229 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248597280 377361428 /nfs/dbraw/zinc/36/14/28/377361428.db2.gz TYLNHFDHVPGMSW-ZWKOTPCHSA-N 1 3 272.436 3.082 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000249000434 377442853 /nfs/dbraw/zinc/44/28/53/377442853.db2.gz QISICTNTXINVKP-WMLDXEAASA-N 1 3 275.440 3.081 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000249000434 377442858 /nfs/dbraw/zinc/44/28/58/377442858.db2.gz QISICTNTXINVKP-WMLDXEAASA-N 1 3 275.440 3.081 20 0 CGADHO CC(C)NC1(CO)CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000563361252 377448407 /nfs/dbraw/zinc/44/84/07/377448407.db2.gz FOBPIQYRHSUHDI-UHFFFAOYSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)Cc1ccccc1 ZINC000249436235 377503697 /nfs/dbraw/zinc/50/36/97/377503697.db2.gz KYZWLMAXETZUBR-CGTJXYLNSA-N 1 3 274.452 3.328 20 0 CGADHO Cc1ccc(Br)cc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000563423768 377461611 /nfs/dbraw/zinc/46/16/11/377461611.db2.gz IZQPNUFMWWWYST-KBPBESRZSA-N 1 3 297.240 3.117 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(Cc3ccccc3)CCC2)C1 ZINC000563425992 377462946 /nfs/dbraw/zinc/46/29/46/377462946.db2.gz RJJDPQPCUOHHDY-SJORKVTESA-N 1 3 272.436 3.259 20 0 CGADHO CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCN(CC)C1 ZINC000037644400 249002457 /nfs/dbraw/zinc/00/24/57/249002457.db2.gz AMUXVXMMEHJZJV-CQSZACIVSA-N 1 3 286.419 3.427 20 0 CGADHO CC(C)(C)CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166488697 542175793 /nfs/dbraw/zinc/17/57/93/542175793.db2.gz KMWDTIKCSDGTFH-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166488697 542175800 /nfs/dbraw/zinc/17/58/00/542175800.db2.gz KMWDTIKCSDGTFH-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000166488697 542175806 /nfs/dbraw/zinc/17/58/06/542175806.db2.gz KMWDTIKCSDGTFH-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO c1csc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250098436 377550191 /nfs/dbraw/zinc/55/01/91/377550191.db2.gz VFBAXFXYRCAWCB-BZUAXINKSA-N 1 3 278.465 3.191 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422904450 249127063 /nfs/dbraw/zinc/12/70/63/249127063.db2.gz QATNTQHBJAFEFF-SMDDNHRTSA-N 1 3 276.355 3.097 20 0 CGADHO C[C@H](CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477714 249167925 /nfs/dbraw/zinc/16/79/25/249167925.db2.gz QUDKKKPVUTTXRY-SJLPKXTDSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477714 249167927 /nfs/dbraw/zinc/16/79/27/249167927.db2.gz QUDKKKPVUTTXRY-SJLPKXTDSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477714 249167930 /nfs/dbraw/zinc/16/79/30/249167930.db2.gz QUDKKKPVUTTXRY-SJLPKXTDSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477714 249167932 /nfs/dbraw/zinc/16/79/32/249167932.db2.gz QUDKKKPVUTTXRY-SJLPKXTDSA-N 1 3 286.463 3.454 20 0 CGADHO Cc1ccc(CC[C@@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000573830908 377583309 /nfs/dbraw/zinc/58/33/09/377583309.db2.gz RYVGUFVPHHYUMT-MRXNPFEDSA-N 1 3 262.441 3.294 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000573830908 377583310 /nfs/dbraw/zinc/58/33/10/377583310.db2.gz RYVGUFVPHHYUMT-MRXNPFEDSA-N 1 3 262.441 3.294 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870497 249222778 /nfs/dbraw/zinc/22/27/78/249222778.db2.gz ZTBVJWZNAZXSRI-DMRZNYOFSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870497 249222779 /nfs/dbraw/zinc/22/27/79/249222779.db2.gz ZTBVJWZNAZXSRI-DMRZNYOFSA-N 1 3 278.827 3.446 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000516123238 249226159 /nfs/dbraw/zinc/22/61/59/249226159.db2.gz PUNPVJYWCNIHDL-CABCVRRESA-N 1 3 298.833 3.484 20 0 CGADHO C[NH+](C)[C@H]1CCC[C@@H](NCCc2ccc(F)cc2Cl)C1 ZINC000516123238 249226161 /nfs/dbraw/zinc/22/61/61/249226161.db2.gz PUNPVJYWCNIHDL-CABCVRRESA-N 1 3 298.833 3.484 20 0 CGADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758511 377616336 /nfs/dbraw/zinc/61/63/36/377616336.db2.gz QFZCMCNWCVKSBV-HZPDHXFCSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758511 377616349 /nfs/dbraw/zinc/61/63/49/377616349.db2.gz QFZCMCNWCVKSBV-HZPDHXFCSA-N 1 3 292.471 3.115 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCSc2ccccc21 ZINC000252716225 377655302 /nfs/dbraw/zinc/65/53/02/377655302.db2.gz XYQDMUVCWYDRLA-SNPRPXQTSA-N 1 3 276.449 3.153 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCSc2ccccc21 ZINC000252716225 377655310 /nfs/dbraw/zinc/65/53/10/377655310.db2.gz XYQDMUVCWYDRLA-SNPRPXQTSA-N 1 3 276.449 3.153 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN1CCCCC1 ZINC000252711135 377655390 /nfs/dbraw/zinc/65/53/90/377655390.db2.gz IQGMYVDFUSXEMN-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC000574772061 377707746 /nfs/dbraw/zinc/70/77/46/377707746.db2.gz XITOJIPYPJJABG-LSDHHAIUSA-N 1 3 266.816 3.132 20 0 CGADHO C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCNCC1 ZINC000261561586 377817967 /nfs/dbraw/zinc/81/79/67/377817967.db2.gz FZJMEEAEHUWNBH-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCNCC1 ZINC000261561586 377817973 /nfs/dbraw/zinc/81/79/73/377817973.db2.gz FZJMEEAEHUWNBH-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO CN(CC1CCC(C)(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261572110 377818649 /nfs/dbraw/zinc/81/86/49/377818649.db2.gz ABWRAEQKWDOEJJ-XYPWUTKMSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000261694440 377838829 /nfs/dbraw/zinc/83/88/29/377838829.db2.gz HZJVFLYLCDUDFH-ZQIUZPCESA-N 1 3 276.424 3.122 20 0 CGADHO C[C@]1(CCc2ccccc2)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261681837 377839160 /nfs/dbraw/zinc/83/91/60/377839160.db2.gz AHSJNKCIGYSYDF-OALUTQOASA-N 1 3 286.463 3.331 20 0 CGADHO c1ccc2nc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261862147 377861729 /nfs/dbraw/zinc/86/17/29/377861729.db2.gz GBTCIEUMLWEGGO-SFHVURJKSA-N 1 3 295.430 3.199 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)CN2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261904892 377865576 /nfs/dbraw/zinc/86/55/76/377865576.db2.gz WTOSGEFEAQRCOI-JCGIZDLHSA-N 1 3 288.435 3.078 20 0 CGADHO Cc1ccc(C)c([C@H]2CCCN2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261911300 377867356 /nfs/dbraw/zinc/86/73/56/377867356.db2.gz YHZMQDONYMNDLO-QZTJIDSGSA-N 1 3 272.436 3.440 20 0 CGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc2cnccc21 ZINC000183406260 542230930 /nfs/dbraw/zinc/23/09/30/542230930.db2.gz GEBIYNCFTKYQJU-MSOLQXFVSA-N 1 3 295.430 3.293 20 0 CGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc2cnccc21 ZINC000183406260 542230934 /nfs/dbraw/zinc/23/09/34/542230934.db2.gz GEBIYNCFTKYQJU-MSOLQXFVSA-N 1 3 295.430 3.293 20 0 CGADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccsc1 ZINC000262037092 377881593 /nfs/dbraw/zinc/88/15/93/377881593.db2.gz XVOFWQUSLQERTP-DZGCQCFKSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@H+](C[C@@H]1CCCNC1)[C@@H](C)Cc1ccsc1 ZINC000262037092 377881597 /nfs/dbraw/zinc/88/15/97/377881597.db2.gz XVOFWQUSLQERTP-DZGCQCFKSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCNC1)[C@@H](C)Cc1ccsc1 ZINC000262037092 377881602 /nfs/dbraw/zinc/88/16/02/377881602.db2.gz XVOFWQUSLQERTP-DZGCQCFKSA-N 1 3 266.454 3.001 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc2ccccc2n1 ZINC000575742186 377986111 /nfs/dbraw/zinc/98/61/11/377986111.db2.gz PTEOFLAREHPAMX-WMZOPIPTSA-N 1 3 283.419 3.027 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000577899291 378021194 /nfs/dbraw/zinc/02/11/94/378021194.db2.gz OTBCCJXBHZJIIQ-GDBMZVCRSA-N 1 3 290.451 3.324 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C12CCCC2 ZINC000344082423 378158391 /nfs/dbraw/zinc/15/83/91/378158391.db2.gz YXBHITHBHFFEQA-LTIDMASMSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)Cc1ccccc1 ZINC000579461578 378163252 /nfs/dbraw/zinc/16/32/52/378163252.db2.gz FMZYWRVITVYVCB-WDSOQIARSA-N 1 3 288.479 3.479 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc2ccccc2n1 ZINC000268995812 378169179 /nfs/dbraw/zinc/16/91/79/378169179.db2.gz KNXOGLZMNOZDEU-UONOGXRCSA-N 1 3 271.408 3.226 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000356694335 284691353 /nfs/dbraw/zinc/69/13/53/284691353.db2.gz JUDYZTJWDRJLFO-GVDBMIGSSA-N 1 3 282.472 3.046 20 0 CGADHO CCN1CC[C@H](C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000582094283 378286116 /nfs/dbraw/zinc/28/61/16/378286116.db2.gz DCMWFCMEAXDUKV-QGZVFWFLSA-N 1 3 288.479 3.458 20 0 CGADHO CC(C)N(Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccn1 ZINC000583268401 378316127 /nfs/dbraw/zinc/31/61/27/378316127.db2.gz ONBDTWRTVKFVSV-UHFFFAOYSA-N 1 3 295.430 3.138 20 0 CGADHO c1ccc(C2(C[NH2+]C3CCNCC3)CCCCC2)cc1 ZINC000584404718 378382296 /nfs/dbraw/zinc/38/22/96/378382296.db2.gz PNROJGZSNZJXIS-UHFFFAOYSA-N 1 3 272.436 3.230 20 0 CGADHO c1ccc(C2(CNC3CC[NH2+]CC3)CCCCC2)cc1 ZINC000584404718 378382300 /nfs/dbraw/zinc/38/23/00/378382300.db2.gz PNROJGZSNZJXIS-UHFFFAOYSA-N 1 3 272.436 3.230 20 0 CGADHO CCNCCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000565886460 322095326 /nfs/dbraw/zinc/09/53/26/322095326.db2.gz MUOLPMGBNQWGME-MRXNPFEDSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000346505280 378599379 /nfs/dbraw/zinc/59/93/79/378599379.db2.gz XRPYMOINOFTTED-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2(C(C)C)CC2)C1 ZINC000638128598 378710350 /nfs/dbraw/zinc/71/03/50/378710350.db2.gz UZDUYBJMQCQNQP-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2(C(C)C)CC2)C1 ZINC000638128598 378710355 /nfs/dbraw/zinc/71/03/55/378710355.db2.gz UZDUYBJMQCQNQP-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CC2(C(C)C)CC2)C1 ZINC000638128598 378710358 /nfs/dbraw/zinc/71/03/58/378710358.db2.gz UZDUYBJMQCQNQP-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CC2(C(C)C)CC2)C1 ZINC000638128598 378710361 /nfs/dbraw/zinc/71/03/61/378710361.db2.gz UZDUYBJMQCQNQP-OAHLLOKOSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000348099285 378791624 /nfs/dbraw/zinc/79/16/24/378791624.db2.gz BAZULKAZVAHHQE-YJNKXOJESA-N 1 3 250.430 3.028 20 0 CGADHO Cc1cc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)oc2cc1C ZINC000346827933 218027123 /nfs/dbraw/zinc/02/71/23/218027123.db2.gz MXXANCRAONFCQA-JQFCIGGWSA-N 1 3 284.403 3.219 20 0 CGADHO Fc1ccccc1CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346831286 218028046 /nfs/dbraw/zinc/02/80/46/218028046.db2.gz KLVAPEYQZYULNT-MRXNPFEDSA-N 1 3 290.426 3.080 20 0 CGADHO Fc1ccccc1CC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346831286 218028049 /nfs/dbraw/zinc/02/80/49/218028049.db2.gz KLVAPEYQZYULNT-MRXNPFEDSA-N 1 3 290.426 3.080 20 0 CGADHO Cc1ccc(F)c(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000278501794 194015105 /nfs/dbraw/zinc/01/51/05/194015105.db2.gz OBKKIUHWCZXSHA-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO CN1CC=C(C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638838620 378931708 /nfs/dbraw/zinc/93/17/08/378931708.db2.gz MQRJZHQMZZCZSR-QZTJIDSGSA-N 1 3 270.420 3.032 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000567167247 322152527 /nfs/dbraw/zinc/15/25/27/322152527.db2.gz JZADTFFCESUJLK-LYYZXLFJSA-N 1 3 268.420 3.168 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348533711 378979878 /nfs/dbraw/zinc/97/98/78/378979878.db2.gz LJIJUHVTKYVWFS-LDDOYCOJSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348533711 378979887 /nfs/dbraw/zinc/97/98/87/378979887.db2.gz LJIJUHVTKYVWFS-LDDOYCOJSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348533711 378979892 /nfs/dbraw/zinc/97/98/92/378979892.db2.gz LJIJUHVTKYVWFS-LDDOYCOJSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111402 218124446 /nfs/dbraw/zinc/12/44/46/218124446.db2.gz QDOISWDHDLMHFB-KXBFYZLASA-N 1 3 295.430 3.450 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111402 218124448 /nfs/dbraw/zinc/12/44/48/218124448.db2.gz QDOISWDHDLMHFB-KXBFYZLASA-N 1 3 295.430 3.450 20 0 CGADHO CC(C)Oc1ccccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000347168105 218144155 /nfs/dbraw/zinc/14/41/55/218144155.db2.gz LMIPEMAELJHZLN-CQSZACIVSA-N 1 3 276.424 3.033 20 0 CGADHO C[C@@H](NC1CC(F)(F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000277108193 379070339 /nfs/dbraw/zinc/07/03/39/379070339.db2.gz MFGDUKKJRVQTGI-GFCCVEGCSA-N 1 3 298.377 3.075 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277231267 379103663 /nfs/dbraw/zinc/10/36/63/379103663.db2.gz OTGDNCZZUZQCMX-INIZCTEOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277231267 379103671 /nfs/dbraw/zinc/10/36/71/379103671.db2.gz OTGDNCZZUZQCMX-INIZCTEOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277231267 379103679 /nfs/dbraw/zinc/10/36/79/379103679.db2.gz OTGDNCZZUZQCMX-INIZCTEOSA-N 1 3 260.425 3.220 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCCOCc2ccccc2)CC1 ZINC000277229051 379104124 /nfs/dbraw/zinc/10/41/24/379104124.db2.gz ONXUDKNKMRCBOY-GOSISDBHSA-N 1 3 290.451 3.009 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCOCc2ccccc2)CC1 ZINC000277229051 379104128 /nfs/dbraw/zinc/10/41/28/379104128.db2.gz ONXUDKNKMRCBOY-GOSISDBHSA-N 1 3 290.451 3.009 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000277229051 379104132 /nfs/dbraw/zinc/10/41/32/379104132.db2.gz ONXUDKNKMRCBOY-GOSISDBHSA-N 1 3 290.451 3.009 20 0 CGADHO Cc1c[nH+]ccc1NC[C@H](c1cccs1)N(C)C ZINC000191977007 542262436 /nfs/dbraw/zinc/26/24/36/542262436.db2.gz QPWWTSMFLPONNI-CYBMUJFWSA-N 1 3 261.394 3.166 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000568451011 322209431 /nfs/dbraw/zinc/20/94/31/322209431.db2.gz BYEDBKLNBQYMCQ-HWMZRRJGSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000568451011 322209432 /nfs/dbraw/zinc/20/94/32/322209432.db2.gz BYEDBKLNBQYMCQ-HWMZRRJGSA-N 1 3 282.472 3.043 20 0 CGADHO CCOC1CC(CNCCC[N@H+](CC)C2CCCCC2)C1 ZINC000639291696 379239014 /nfs/dbraw/zinc/23/90/14/379239014.db2.gz SPNZBMFLTTWALB-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CCOC1CC(CNCCC[N@@H+](CC)C2CCCCC2)C1 ZINC000639291696 379239018 /nfs/dbraw/zinc/23/90/18/379239018.db2.gz SPNZBMFLTTWALB-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CCN(CCCc1ccc(C)nc1)CCC[NH+]1CCCC1 ZINC000349408852 379271038 /nfs/dbraw/zinc/27/10/38/379271038.db2.gz QOMWVHOSGMQKCX-UHFFFAOYSA-N 1 3 289.467 3.130 20 0 CGADHO CCC1(N(C)C)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000639378891 379337398 /nfs/dbraw/zinc/33/73/98/379337398.db2.gz TYFVCJXTWNOYSU-OAGGEKHMSA-N 1 3 264.457 3.229 20 0 CGADHO CCC1([NH+](C)C)CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000639378891 379337410 /nfs/dbraw/zinc/33/74/10/379337410.db2.gz TYFVCJXTWNOYSU-OAGGEKHMSA-N 1 3 264.457 3.229 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510241 379442954 /nfs/dbraw/zinc/44/29/54/379442954.db2.gz ZHGLPJAOZIQORY-DOTOQJQBSA-N 1 3 289.467 3.311 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510241 379442962 /nfs/dbraw/zinc/44/29/62/379442962.db2.gz ZHGLPJAOZIQORY-DOTOQJQBSA-N 1 3 289.467 3.311 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cccc3cc[nH]c32)CC1 ZINC000349992795 379473834 /nfs/dbraw/zinc/47/38/34/379473834.db2.gz UGBPJKDPTZXGQA-UHFFFAOYSA-N 1 3 271.408 3.084 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CCCN(C2CCC2)C1 ZINC000639581839 379489056 /nfs/dbraw/zinc/48/90/56/379489056.db2.gz ZOTSWMATCKVXEI-YQQAZPJKSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639581839 379489064 /nfs/dbraw/zinc/48/90/64/379489064.db2.gz ZOTSWMATCKVXEI-YQQAZPJKSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NC[C@H]1CC(C)(C)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000639581839 379489073 /nfs/dbraw/zinc/48/90/73/379489073.db2.gz ZOTSWMATCKVXEI-YQQAZPJKSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CCCC[C@@H]1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000639980428 379672168 /nfs/dbraw/zinc/67/21/68/379672168.db2.gz XGGSJMXQFMVMRH-MRXNPFEDSA-N 1 3 296.524 3.470 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(OCC2CC2)cc1 ZINC000352541337 379849484 /nfs/dbraw/zinc/84/94/84/379849484.db2.gz WSJRSTDOBFIJJX-KRWDZBQOSA-N 1 3 288.435 3.179 20 0 CGADHO C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)CN1CCCCC1 ZINC000352555527 379857855 /nfs/dbraw/zinc/85/78/55/379857855.db2.gz OEIVUZUXTIFLCN-FHERZECASA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](CNC1CC(OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000352555527 379857862 /nfs/dbraw/zinc/85/78/62/379857862.db2.gz OEIVUZUXTIFLCN-FHERZECASA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]1C[C@@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217972 379824529 /nfs/dbraw/zinc/82/45/29/379824529.db2.gz TXTVBBQPCVDNQM-NUTKFTJISA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H]1C[C@@H](N[C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217972 379824536 /nfs/dbraw/zinc/82/45/36/379824536.db2.gz TXTVBBQPCVDNQM-NUTKFTJISA-N 1 3 276.399 3.275 20 0 CGADHO CN1CC=C(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000378451285 379826290 /nfs/dbraw/zinc/82/62/90/379826290.db2.gz JFJBAZFHURNLAB-UHFFFAOYSA-N 1 3 293.414 3.100 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000387654090 379878701 /nfs/dbraw/zinc/87/87/01/379878701.db2.gz LINIINRCDKKBGF-PMPSAXMXSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@H]1CCCN1 ZINC000400340180 379949089 /nfs/dbraw/zinc/94/90/89/379949089.db2.gz HDXYITWTXOIXDK-AGERRDQYSA-N 1 3 272.436 3.443 20 0 CGADHO c1coc([C@@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)c1 ZINC000401066474 379957187 /nfs/dbraw/zinc/95/71/87/379957187.db2.gz ZGUBYGWMRAFACJ-BMFAXAFESA-N 1 3 296.414 3.347 20 0 CGADHO CC(C)(C)CCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000410377627 380091346 /nfs/dbraw/zinc/09/13/46/380091346.db2.gz DXYGSXGDPHBBAU-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)(C)CCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000410377627 380091351 /nfs/dbraw/zinc/09/13/51/380091351.db2.gz DXYGSXGDPHBBAU-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)(C)CCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000410377627 380091357 /nfs/dbraw/zinc/09/13/57/380091357.db2.gz DXYGSXGDPHBBAU-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000410414897 380093512 /nfs/dbraw/zinc/09/35/12/380093512.db2.gz TVMLINGNGFSGBP-ARFHVFGLSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000410414897 380093518 /nfs/dbraw/zinc/09/35/18/380093518.db2.gz TVMLINGNGFSGBP-ARFHVFGLSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000410391862 380093857 /nfs/dbraw/zinc/09/38/57/380093857.db2.gz NFIGOXWHLBHOQF-DOTOQJQBSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000410391862 380093858 /nfs/dbraw/zinc/09/38/58/380093858.db2.gz NFIGOXWHLBHOQF-DOTOQJQBSA-N 1 3 266.473 3.332 20 0 CGADHO CC[C@H](NCCC[NH2+]C)c1cccc2ccccc21 ZINC000643498517 380321263 /nfs/dbraw/zinc/32/12/63/380321263.db2.gz OQFZWISROHLGND-KRWDZBQOSA-N 1 3 256.393 3.490 20 0 CGADHO CC[C@H]([NH2+]CCCNC)c1cccc2ccccc21 ZINC000643498517 380321268 /nfs/dbraw/zinc/32/12/68/380321268.db2.gz OQFZWISROHLGND-KRWDZBQOSA-N 1 3 256.393 3.490 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cnn(C2CCCC2)c1 ZINC000643512365 380333270 /nfs/dbraw/zinc/33/32/70/380333270.db2.gz QBMMQOVLUYHPBD-ZQIUZPCESA-N 1 3 290.455 3.166 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000643512061 380333457 /nfs/dbraw/zinc/33/34/57/380333457.db2.gz GHVDLYGTCHBFGS-CIISACIHSA-N 1 3 280.362 3.059 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CCCc2ccccc2C1 ZINC000643513820 380334227 /nfs/dbraw/zinc/33/42/27/380334227.db2.gz RTAXTCWQQYRMEI-INIZCTEOSA-N 1 3 260.425 3.041 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)c1ccncc1 ZINC000643460289 380312403 /nfs/dbraw/zinc/31/24/03/380312403.db2.gz MWDZCUUZZFKZJD-INMHGKMJSA-N 1 3 275.440 3.086 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+][C@@H]2CCCNCC2)C2CC2)c1 ZINC000643464758 380313944 /nfs/dbraw/zinc/31/39/44/380313944.db2.gz FVXLCAKTLBOURR-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547604 380363418 /nfs/dbraw/zinc/36/34/18/380363418.db2.gz HXEQRBSLQQWEDR-KBPBESRZSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1(C)C ZINC000643548586 380365371 /nfs/dbraw/zinc/36/53/71/380365371.db2.gz RLOPVRZEYCBKCM-OWCLPIDISA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)CO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548586 380365378 /nfs/dbraw/zinc/36/53/78/380365378.db2.gz RLOPVRZEYCBKCM-OWCLPIDISA-N 1 3 294.483 3.090 20 0 CGADHO CC[N@H+](C[C@@H](C)Cc1ccccc1)[C@H]1CCCNCC1 ZINC000414713461 380385810 /nfs/dbraw/zinc/38/58/10/380385810.db2.gz KQHJRFKZDAXERK-WMZOPIPTSA-N 1 3 274.452 3.329 20 0 CGADHO CC[N@@H+](C[C@@H](C)Cc1ccccc1)[C@H]1CCCNCC1 ZINC000414713461 380385816 /nfs/dbraw/zinc/38/58/16/380385816.db2.gz KQHJRFKZDAXERK-WMZOPIPTSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523452 380339292 /nfs/dbraw/zinc/33/92/92/380339292.db2.gz KTCBEKDIVKROCS-LBPRGKRZSA-N 1 3 272.417 3.072 20 0 CGADHO CC1(C)[C@H](N[C@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000643522856 380339320 /nfs/dbraw/zinc/33/93/20/380339320.db2.gz SZYGBUJRYXPYHA-YESZJQIVSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCCNCC2)C[C@H]1c1ccccc1 ZINC000643522856 380339324 /nfs/dbraw/zinc/33/93/24/380339324.db2.gz SZYGBUJRYXPYHA-YESZJQIVSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000643525959 380340538 /nfs/dbraw/zinc/34/05/38/380340538.db2.gz KINXAGORNJEXLP-GJZGRUSLSA-N 1 3 284.403 3.263 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(SCC(F)(F)F)cc1 ZINC000643528731 380345299 /nfs/dbraw/zinc/34/52/99/380345299.db2.gz NQBDNLMOFSSNQK-VHSXEESVSA-N 1 3 292.370 3.339 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000643533869 380348575 /nfs/dbraw/zinc/34/85/75/380348575.db2.gz GPOGEHDLYDTDID-YGRLFVJLSA-N 1 3 282.790 3.272 20 0 CGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000354163660 380349652 /nfs/dbraw/zinc/34/96/52/380349652.db2.gz MRPXIXXQAIJQNJ-MSOLQXFVSA-N 1 3 290.451 3.043 20 0 CGADHO CSc1ccc([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534813 380349990 /nfs/dbraw/zinc/34/99/90/380349990.db2.gz DELANRLGTXJWAP-ABAIWWIYSA-N 1 3 294.439 3.340 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000354163663 380350070 /nfs/dbraw/zinc/35/00/70/380350070.db2.gz MRPXIXXQAIJQNJ-ZWKOTPCHSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662013 380358357 /nfs/dbraw/zinc/35/83/57/380358357.db2.gz PLKFGYJLDWSABE-AAEUAGOBSA-N 1 3 286.341 3.183 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414813108 380424208 /nfs/dbraw/zinc/42/42/08/380424208.db2.gz SIATUSHEAJJIPO-AWEZNQCLSA-N 1 3 299.462 3.441 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414816283 380428615 /nfs/dbraw/zinc/42/86/15/380428615.db2.gz ZUQOMXVNAXCBNR-UHFFFAOYSA-N 1 3 283.419 3.356 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414822552 380431992 /nfs/dbraw/zinc/43/19/92/380431992.db2.gz AMGZYEIKWITOMS-NFAWXSAZSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)[C@H]1CCCNC1 ZINC000414821749 380432369 /nfs/dbraw/zinc/43/23/69/380432369.db2.gz LRMIMJNGTNYBOX-WZGPROSRSA-N 1 3 286.463 3.376 20 0 CGADHO C[C@@H](NCc1cc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC000414851367 380454461 /nfs/dbraw/zinc/45/44/61/380454461.db2.gz JBZTYWXDYKNGDX-OCCSQVGLSA-N 1 3 274.433 3.379 20 0 CGADHO CCC1(C)CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000414853029 380455353 /nfs/dbraw/zinc/45/53/53/380455353.db2.gz KMRKKWYXFNKICC-QRNKSROTSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784180 380403593 /nfs/dbraw/zinc/40/35/93/380403593.db2.gz QWIJCSBEEIZSIM-CVEARBPZSA-N 1 3 292.854 3.470 20 0 CGADHO COc1ccc2cc(CN[C@H]3CCC[C@@H]3C[NH3+])ccc2c1 ZINC000414789117 380405165 /nfs/dbraw/zinc/40/51/65/380405165.db2.gz FAKHVNJFZMOACH-AEFFLSMTSA-N 1 3 284.403 3.065 20 0 CGADHO COc1ccc2cc(CN[C@H]3CCC[C@H]3C[NH3+])ccc2c1 ZINC000414789120 380405256 /nfs/dbraw/zinc/40/52/56/380405256.db2.gz FAKHVNJFZMOACH-WMZOPIPTSA-N 1 3 284.403 3.065 20 0 CGADHO COc1ccc2cc(CN[C@H]3CCCC[C@@H]3C[NH3+])ccc2c1 ZINC000414791484 380406725 /nfs/dbraw/zinc/40/67/25/380406725.db2.gz BHVFNKYAOJLKFP-MJGOQNOKSA-N 1 3 298.430 3.456 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(OC2CCCC2)c1 ZINC000414802264 380414378 /nfs/dbraw/zinc/41/43/78/380414378.db2.gz VJVUQPLFNDSSHQ-QAPCUYQASA-N 1 3 288.435 3.225 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414801865 380415004 /nfs/dbraw/zinc/41/50/04/380415004.db2.gz ATJPZUWOMPZBAM-VNQPRFMTSA-N 1 3 260.425 3.286 20 0 CGADHO Cc1cc(C[NH2+]C[C@H](N)C(C)C)ccc1Oc1cccnc1 ZINC000414803755 380416603 /nfs/dbraw/zinc/41/66/03/380416603.db2.gz WTUQGKZEWMJXIW-KRWDZBQOSA-N 1 3 299.418 3.255 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000414808774 380419838 /nfs/dbraw/zinc/41/98/38/380419838.db2.gz SULWZPYQZMJUQA-CGTJXYLNSA-N 1 3 274.452 3.423 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1cccc(C)c1 ZINC000414809367 380422678 /nfs/dbraw/zinc/42/26/78/380422678.db2.gz MIAHGMHQCVOADP-OAHLLOKOSA-N 1 3 262.441 3.423 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000414907955 380485397 /nfs/dbraw/zinc/48/53/97/380485397.db2.gz CDCSYTCXFIRJBQ-BZSNNMDCSA-N 1 3 272.436 3.130 20 0 CGADHO COc1ccc2ccccc2c1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414909835 380485725 /nfs/dbraw/zinc/48/57/25/380485725.db2.gz CNANDKSNNVAMHS-GJZGRUSLSA-N 1 3 284.403 3.208 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414908190 380486580 /nfs/dbraw/zinc/48/65/80/380486580.db2.gz ODGGUAOCHPQWTC-MSOLQXFVSA-N 1 3 274.452 3.295 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000414920551 380490022 /nfs/dbraw/zinc/49/00/22/380490022.db2.gz XZVGQHXNPMEYRN-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414942445 380500475 /nfs/dbraw/zinc/50/04/75/380500475.db2.gz DLGIBAUBXDLDAF-KCQAQPDRSA-N 1 3 278.465 3.070 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414942445 380500481 /nfs/dbraw/zinc/50/04/81/380500481.db2.gz DLGIBAUBXDLDAF-KCQAQPDRSA-N 1 3 278.465 3.070 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000414954436 380502563 /nfs/dbraw/zinc/50/25/63/380502563.db2.gz MWPUTMABIJNEEB-QSPRXWTASA-N 1 3 258.409 3.053 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@@H]2CCNCC2(C)C)cc1C ZINC000414976933 380504294 /nfs/dbraw/zinc/50/42/94/380504294.db2.gz QTWFZAMJMCNTNS-MRXNPFEDSA-N 1 3 260.425 3.090 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414857603 380460380 /nfs/dbraw/zinc/46/03/80/380460380.db2.gz PSILTNXHDOIJAP-YCPHGPKFSA-N 1 3 278.415 3.125 20 0 CGADHO CC(C)c1ccc(CNCCC[NH2+]Cc2cccnc2)cc1 ZINC000414875721 380470192 /nfs/dbraw/zinc/47/01/92/380470192.db2.gz JHVNQCCYHMDKCA-UHFFFAOYSA-N 1 3 297.446 3.475 20 0 CGADHO Cc1cc(C[NH2+]C[C@H](N)C2CC2)ccc1Oc1cccnc1 ZINC000414900966 380481617 /nfs/dbraw/zinc/48/16/17/380481617.db2.gz WQHCGLRZVMUECN-KRWDZBQOSA-N 1 3 297.402 3.009 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323785 380592772 /nfs/dbraw/zinc/59/27/72/380592772.db2.gz PDUUYVVRCKTSRL-UVPYHEFZSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323785 380592780 /nfs/dbraw/zinc/59/27/80/380592780.db2.gz PDUUYVVRCKTSRL-UVPYHEFZSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323785 380592785 /nfs/dbraw/zinc/59/27/85/380592785.db2.gz PDUUYVVRCKTSRL-UVPYHEFZSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323787 380593471 /nfs/dbraw/zinc/59/34/71/380593471.db2.gz PDUUYVVRCKTSRL-XFIYOXNOSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323787 380593475 /nfs/dbraw/zinc/59/34/75/380593475.db2.gz PDUUYVVRCKTSRL-XFIYOXNOSA-N 1 3 290.476 3.457 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417323787 380593482 /nfs/dbraw/zinc/59/34/82/380593482.db2.gz PDUUYVVRCKTSRL-XFIYOXNOSA-N 1 3 290.476 3.457 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000645474376 380686703 /nfs/dbraw/zinc/68/67/03/380686703.db2.gz OAKPDLWGHCTBLU-VGWMRTNUSA-N 1 3 250.430 3.172 20 0 CGADHO C[NH+](C)CCC1CCN(CCc2c(F)cccc2F)CC1 ZINC000645780604 380729299 /nfs/dbraw/zinc/72/92/99/380729299.db2.gz JKLFSDYYVDRVMZ-UHFFFAOYSA-N 1 3 296.405 3.171 20 0 CGADHO Clc1cccc2c1CCN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000420306568 380844139 /nfs/dbraw/zinc/84/41/39/380844139.db2.gz QLAYZOJKMJUHRQ-CYBMUJFWSA-N 1 3 278.827 3.088 20 0 CGADHO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](C)N)C(C)C ZINC000420412727 380852436 /nfs/dbraw/zinc/85/24/36/380852436.db2.gz SORKUAVFRYLURB-XHDPSFHLSA-N 1 3 260.381 3.375 20 0 CGADHO C1C(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334100 380879328 /nfs/dbraw/zinc/87/93/28/380879328.db2.gz PILYYDTVOYTYBI-GDBMZVCRSA-N 1 3 262.441 3.316 20 0 CGADHO C1C(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334100 380879339 /nfs/dbraw/zinc/87/93/39/380879339.db2.gz PILYYDTVOYTYBI-GDBMZVCRSA-N 1 3 262.441 3.316 20 0 CGADHO C1C([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC12CCCCC2 ZINC000421334100 380879345 /nfs/dbraw/zinc/87/93/45/380879345.db2.gz PILYYDTVOYTYBI-GDBMZVCRSA-N 1 3 262.441 3.316 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1F ZINC000356835171 380891194 /nfs/dbraw/zinc/89/11/94/380891194.db2.gz CHIXCNADVMXZQS-DZGCQCFKSA-N 1 3 294.414 3.359 20 0 CGADHO Cc1cnccc1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000358953435 381332740 /nfs/dbraw/zinc/33/27/40/381332740.db2.gz MWTVKHDKZPYWHB-OAGGEKHMSA-N 1 3 273.424 3.232 20 0 CGADHO Cc1ccc(C[N@H+](C)CCCN2CCCCC2)cc1 ZINC000361274503 381671269 /nfs/dbraw/zinc/67/12/69/381671269.db2.gz RVWJWWGVEIEUNF-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO Cc1ccc(C[N@@H+](C)CCCN2CCCCC2)cc1 ZINC000361274503 381671273 /nfs/dbraw/zinc/67/12/73/381671273.db2.gz RVWJWWGVEIEUNF-UHFFFAOYSA-N 1 3 260.425 3.303 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363795109 382257751 /nfs/dbraw/zinc/25/77/51/382257751.db2.gz YAQWVBKLJJIQKW-HYVNUMGLSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363795109 382257760 /nfs/dbraw/zinc/25/77/60/382257760.db2.gz YAQWVBKLJJIQKW-HYVNUMGLSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000363795109 382257766 /nfs/dbraw/zinc/25/77/66/382257766.db2.gz YAQWVBKLJJIQKW-HYVNUMGLSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](CCN1C[C@@H]2CCC[C@@H]2C1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000245690103 542323107 /nfs/dbraw/zinc/32/31/07/542323107.db2.gz PANVXRJRUAQZSL-ZBRFXRBCSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)N1C[C@@H]2CCC[C@H]2C1 ZINC000245690103 542323110 /nfs/dbraw/zinc/32/31/10/542323110.db2.gz PANVXRJRUAQZSL-ZBRFXRBCSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)N1C[C@@H]2CCC[C@H]2C1 ZINC000245690103 542323114 /nfs/dbraw/zinc/32/31/14/542323114.db2.gz PANVXRJRUAQZSL-ZBRFXRBCSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CCN1C[C@@H]2CCC[C@H]2C1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000245690093 542323371 /nfs/dbraw/zinc/32/33/71/542323371.db2.gz PANVXRJRUAQZSL-ICUGJSFKSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CCN1C[C@@H]2CCC[C@H]2C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000245690093 542323376 /nfs/dbraw/zinc/32/33/76/542323376.db2.gz PANVXRJRUAQZSL-ICUGJSFKSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[NH+]1C[C@@H]2CCC[C@H]2C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000245690093 542323380 /nfs/dbraw/zinc/32/33/80/542323380.db2.gz PANVXRJRUAQZSL-ICUGJSFKSA-N 1 3 276.468 3.229 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000368752913 382381546 /nfs/dbraw/zinc/38/15/46/382381546.db2.gz FSHXGMDFJDWCPU-QYZOEREBSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368752913 382381554 /nfs/dbraw/zinc/38/15/54/382381554.db2.gz FSHXGMDFJDWCPU-QYZOEREBSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368752913 382381557 /nfs/dbraw/zinc/38/15/57/382381557.db2.gz FSHXGMDFJDWCPU-QYZOEREBSA-N 1 3 286.463 3.470 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388435 542334671 /nfs/dbraw/zinc/33/46/71/542334671.db2.gz QZCFFMMUBIETHZ-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388435 542334675 /nfs/dbraw/zinc/33/46/75/542334675.db2.gz QZCFFMMUBIETHZ-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388435 542334677 /nfs/dbraw/zinc/33/46/77/542334677.db2.gz QZCFFMMUBIETHZ-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4cnccc43)CC[C@H]21 ZINC000248388435 542334681 /nfs/dbraw/zinc/33/46/81/542334681.db2.gz QZCFFMMUBIETHZ-PKOBYXMFSA-N 1 3 295.430 3.151 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000251946489 542348534 /nfs/dbraw/zinc/34/85/34/542348534.db2.gz WKQZPDJLZGFKRJ-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO c1ccc(CCCN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415555 542349528 /nfs/dbraw/zinc/34/95/28/542349528.db2.gz LRJCWWRIHWOPER-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423450450 532974730 /nfs/dbraw/zinc/97/47/30/532974730.db2.gz SYJLCIGFYSDFIJ-MXWKQRLJSA-N 1 3 290.329 3.014 20 0 CGADHO CCN(Cc1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345189380 285095076 /nfs/dbraw/zinc/09/50/76/285095076.db2.gz MQQIRDRXBMZEIF-QGZVFWFLSA-N 1 3 260.425 3.267 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(O)c1 ZINC000289411799 197334044 /nfs/dbraw/zinc/33/40/44/197334044.db2.gz HXGVMGQMTHFZIL-UHFFFAOYSA-N 1 3 298.430 3.476 20 0 CGADHO COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)ccc1SC ZINC000424370597 533120872 /nfs/dbraw/zinc/12/08/72/533120872.db2.gz DSHOETGFIIADSN-MRVWCRGKSA-N 1 3 294.464 3.338 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000423319181 533176852 /nfs/dbraw/zinc/17/68/52/533176852.db2.gz DAVYSDKHDCFPHI-RVKKMQEKSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339066053 542486114 /nfs/dbraw/zinc/48/61/14/542486114.db2.gz AMBQDOVDUFUROC-YUELXQCFSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1F ZINC000339066053 542486117 /nfs/dbraw/zinc/48/61/17/542486117.db2.gz AMBQDOVDUFUROC-YUELXQCFSA-N 1 3 294.389 3.285 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000339074054 542486189 /nfs/dbraw/zinc/48/61/89/542486189.db2.gz IILZGNBXFZKFPM-YYIAUSFCSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339074054 542486190 /nfs/dbraw/zinc/48/61/90/542486190.db2.gz IILZGNBXFZKFPM-YYIAUSFCSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074054 542486191 /nfs/dbraw/zinc/48/61/91/542486191.db2.gz IILZGNBXFZKFPM-YYIAUSFCSA-N 1 3 294.483 3.044 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CCS2 ZINC000423399743 533300889 /nfs/dbraw/zinc/30/08/89/533300889.db2.gz UXYDVHYTYQQTRZ-LALPHHSUSA-N 1 3 292.448 3.092 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414186892 533409474 /nfs/dbraw/zinc/40/94/74/533409474.db2.gz PPOGFZQBFCDFDV-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414186892 533409481 /nfs/dbraw/zinc/40/94/81/533409481.db2.gz PPOGFZQBFCDFDV-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO C[C@@H]([NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1)[C@H](C)N ZINC000423442399 533512670 /nfs/dbraw/zinc/51/26/70/533512670.db2.gz BRXHODTVEMNZFV-IYOUNJFTSA-N 1 3 286.394 3.435 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@H]2CC23CC3)CC1 ZINC000417366531 533606672 /nfs/dbraw/zinc/60/66/72/533606672.db2.gz OWRWFGBUNQDCQO-HLLBOEOZSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CC23CC3)CC1 ZINC000417366531 533606686 /nfs/dbraw/zinc/60/66/86/533606686.db2.gz OWRWFGBUNQDCQO-HLLBOEOZSA-N 1 3 276.468 3.419 20 0 CGADHO [NH3+]CCCNC1(c2ccc(Cl)cc2)CCCC1 ZINC000414704147 542638846 /nfs/dbraw/zinc/63/88/46/542638846.db2.gz JKDNFFMSNSXHQF-UHFFFAOYSA-N 1 3 252.789 3.048 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000019912938 391937146 /nfs/dbraw/zinc/93/71/46/391937146.db2.gz RTKDQNTZIOBRIS-PMPSAXMXSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047968438 391993348 /nfs/dbraw/zinc/99/33/48/391993348.db2.gz CPZRLRRNYBTATN-UHFFFAOYSA-N 1 3 272.436 3.303 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000237050351 131000734 /nfs/dbraw/zinc/00/07/34/131000734.db2.gz MKVTVSBWQFOGLU-CVEARBPZSA-N 1 3 271.408 3.130 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(C2c3ccccc3-c3ccccc32)C1 ZINC000132234872 392460490 /nfs/dbraw/zinc/46/04/90/392460490.db2.gz JYYBJENSKNJXOG-KBPBESRZSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@H](C[NH2+]Cc1cc(Cl)cc2cccnc21)CN(C)C ZINC000291648465 392476104 /nfs/dbraw/zinc/47/61/04/392476104.db2.gz CLSYNBPHRAGDIT-GFCCVEGCSA-N 1 3 291.826 3.176 20 0 CGADHO Cc1cc(N2CCN(C3CCC(C)CC3)CC2)cc[nH+]1 ZINC000302554556 392616349 /nfs/dbraw/zinc/61/63/49/392616349.db2.gz JGYPFKLULFNSDV-UHFFFAOYSA-N 1 3 273.424 3.091 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575972 392548061 /nfs/dbraw/zinc/54/80/61/392548061.db2.gz YDGYQYSEHDJGFS-SGMGOOAPSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575972 392548067 /nfs/dbraw/zinc/54/80/67/392548067.db2.gz YDGYQYSEHDJGFS-SGMGOOAPSA-N 1 3 264.438 3.198 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647284566 392637420 /nfs/dbraw/zinc/63/74/20/392637420.db2.gz WIYSPEMVNRDQCE-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CCCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506477743 392727002 /nfs/dbraw/zinc/72/70/02/392727002.db2.gz CCMOBYMIRSNQJC-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO CCCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506477743 392727007 /nfs/dbraw/zinc/72/70/07/392727007.db2.gz CCMOBYMIRSNQJC-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO FC(F)c1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482508 392736884 /nfs/dbraw/zinc/73/68/84/392736884.db2.gz KTSWRDZOWWEWTE-UHFFFAOYSA-N 1 3 280.362 3.341 20 0 CGADHO FC(F)c1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482508 392736888 /nfs/dbraw/zinc/73/68/88/392736888.db2.gz KTSWRDZOWWEWTE-UHFFFAOYSA-N 1 3 280.362 3.341 20 0 CGADHO C(CN(C1CC1)C1CC[NH2+]CC1)C1CCCCC1 ZINC000647482411 392736915 /nfs/dbraw/zinc/73/69/15/392736915.db2.gz CZVXSJACVXBFQA-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@H](CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647482516 392737157 /nfs/dbraw/zinc/73/71/57/392737157.db2.gz LJUDQKQREQMEIE-OAHLLOKOSA-N 1 3 272.436 3.397 20 0 CGADHO c1ccc(C2CC2)c(C[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647483086 392739112 /nfs/dbraw/zinc/73/91/12/392739112.db2.gz YBLMYMCKIKTTFU-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO c1ccc(C2CC2)c(C[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647483086 392739114 /nfs/dbraw/zinc/73/91/14/392739114.db2.gz YBLMYMCKIKTTFU-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO CC[C@@H]1CN(CCCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497363 392740830 /nfs/dbraw/zinc/74/08/30/392740830.db2.gz FAMPRRXWWXKCAC-AEFFLSMTSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH3+] ZINC000647498673 392742026 /nfs/dbraw/zinc/74/20/26/392742026.db2.gz MSOBQYGCXWPSRG-LPHOPBHVSA-N 1 3 295.430 3.308 20 0 CGADHO CC[C@H]1CN(CCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937053 392838055 /nfs/dbraw/zinc/83/80/55/392838055.db2.gz QDESKBPWIVNOLR-GOEBONIOSA-N 1 3 280.843 3.332 20 0 CGADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCN1CCCC1 ZINC000187102992 392787972 /nfs/dbraw/zinc/78/79/72/392787972.db2.gz DJZIKYNPRLWNNE-HZPDHXFCSA-N 1 3 250.430 3.054 20 0 CGADHO C[C@@H](CCCC[NH3+])NC1(c2ccccc2Cl)CC1 ZINC000647800478 392802032 /nfs/dbraw/zinc/80/20/32/392802032.db2.gz BVHDWMMZNOIBGG-LBPRGKRZSA-N 1 3 266.816 3.436 20 0 CGADHO Cc1cccc2c1CC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000647803266 392805379 /nfs/dbraw/zinc/80/53/79/392805379.db2.gz QGRNHSZETYZUAL-SFHVURJKSA-N 1 3 266.388 3.231 20 0 CGADHO C(CC1CCCC1)CN(C1CC1)C1CC[NH2+]CC1 ZINC000647814777 392808196 /nfs/dbraw/zinc/80/81/96/392808196.db2.gz FNZNPBMYZKEADM-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO Clc1ccc(CCCN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815174 392809021 /nfs/dbraw/zinc/80/90/21/392809021.db2.gz SGNADGJTUBEKRM-UHFFFAOYSA-N 1 3 292.854 3.489 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC(C)(C)N1 ZINC000510737638 392812634 /nfs/dbraw/zinc/81/26/34/392812634.db2.gz SLLVLIMRNDZHQE-CABCVRRESA-N 1 3 264.457 3.464 20 0 CGADHO CCCCCN(Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647872614 392819227 /nfs/dbraw/zinc/81/92/27/392819227.db2.gz IGONEFANPDOXGJ-INIZCTEOSA-N 1 3 278.415 3.427 20 0 CGADHO Cc1cccc([C@H]2CCCCN2C[C@@H]2CC[NH2+]C2)c1C ZINC000647889448 392826218 /nfs/dbraw/zinc/82/62/18/392826218.db2.gz RMWAHJULTONOHA-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881027 393007572 /nfs/dbraw/zinc/00/75/72/393007572.db2.gz CIXJQDVFGCMCEG-VHRBIJSZSA-N 1 3 266.454 3.498 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)s1 ZINC000221881027 393007577 /nfs/dbraw/zinc/00/75/77/393007577.db2.gz CIXJQDVFGCMCEG-VHRBIJSZSA-N 1 3 266.454 3.498 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414996347 393084549 /nfs/dbraw/zinc/08/45/49/393084549.db2.gz XPDYTFPPIFVKCQ-RISCZKNCSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415005065 393089255 /nfs/dbraw/zinc/08/92/55/393089255.db2.gz OQYWLNASTWNPBM-OXXUSNJHSA-N 1 3 290.426 3.297 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2ccc(F)cc2Cl)C1 ZINC000415006020 393089989 /nfs/dbraw/zinc/08/99/89/393089989.db2.gz ZVNWTQCFYBRLRC-MFKMUULPSA-N 1 3 270.779 3.086 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2ccccc2Br)C1 ZINC000415004618 393090031 /nfs/dbraw/zinc/09/00/31/393090031.db2.gz YJBRMGZOIZIIKN-WCQYABFASA-N 1 3 297.240 3.056 20 0 CGADHO Cc1ccc(-c2cccc(C[NH2+][C@H](C)[C@@H](C)N)c2)cc1 ZINC000415007046 393091462 /nfs/dbraw/zinc/09/14/62/393091462.db2.gz LBJRCGQZDZBXAT-HUUCEWRRSA-N 1 3 268.404 3.487 20 0 CGADHO C[C@@H](NCCCc1c(Cl)cccc1Cl)[C@H](C)[NH3+] ZINC000415011451 393095605 /nfs/dbraw/zinc/09/56/05/393095605.db2.gz HVSHIGFGYIEMAI-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1csc(-c2cccs2)n1 ZINC000415015241 393097072 /nfs/dbraw/zinc/09/70/72/393097072.db2.gz AQMIDJFRTYPKID-JTQLQIEISA-N 1 3 281.450 3.089 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CC[C@@H]1c1ccccc1 ZINC000347014308 393098229 /nfs/dbraw/zinc/09/82/29/393098229.db2.gz WRINDRNSLODMLG-NUJGCVRESA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CC[C@@H]1c1ccccc1 ZINC000347014308 393098232 /nfs/dbraw/zinc/09/82/32/393098232.db2.gz WRINDRNSLODMLG-NUJGCVRESA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000347014308 393098235 /nfs/dbraw/zinc/09/82/35/393098235.db2.gz WRINDRNSLODMLG-NUJGCVRESA-N 1 3 272.436 3.112 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cccc(Cl)c2Cl)C1 ZINC000415029537 393102784 /nfs/dbraw/zinc/10/27/84/393102784.db2.gz DSVKSOYIUGJQNB-MWLCHTKSSA-N 1 3 273.207 3.210 20 0 CGADHO Cc1cc(N)cc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000414958466 393065027 /nfs/dbraw/zinc/06/50/27/393065027.db2.gz DDPDUMRNRRMAQL-RTBURBONSA-N 1 3 295.430 3.160 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C)CC1CCCCC1 ZINC000414965837 393069933 /nfs/dbraw/zinc/06/99/33/393069933.db2.gz WAKCXOGDGZILAH-OFQRWUPVSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414985824 393080840 /nfs/dbraw/zinc/08/08/40/393080840.db2.gz IBZYNTFGFQVHJF-WHOFXGATSA-N 1 3 266.816 3.303 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2c(c1)NCCC2 ZINC000415044750 393110808 /nfs/dbraw/zinc/11/08/08/393110808.db2.gz XQLRTIKREFPEQC-BHIYHBOVSA-N 1 3 299.462 3.055 20 0 CGADHO C[C@H](CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059482 393119790 /nfs/dbraw/zinc/11/97/90/393119790.db2.gz WZFNGLFDWKCHOB-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO NC[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCC1 ZINC000415068886 393126558 /nfs/dbraw/zinc/12/65/58/393126558.db2.gz RQBOFSRCSVHZOV-HNNXBMFYSA-N 1 3 293.480 3.408 20 0 CGADHO c1csc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415083901 393136775 /nfs/dbraw/zinc/13/67/75/393136775.db2.gz GCCXVZIRNLTFNR-GOEBONIOSA-N 1 3 272.417 3.331 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000468358739 393137686 /nfs/dbraw/zinc/13/76/86/393137686.db2.gz VPPRTISTRACTJJ-FZKCQIBNSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H](C)C(C)(C)c1ccccc1 ZINC000415087281 393139455 /nfs/dbraw/zinc/13/94/55/393139455.db2.gz SRUVYUWUPLDXBW-GDBMZVCRSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@@H](Nc1ccnc2ccccc21)C(C)(C)C[NH+](C)C ZINC000468820184 393163353 /nfs/dbraw/zinc/16/33/53/393163353.db2.gz DISOUYQFLCWDJP-CYBMUJFWSA-N 1 3 271.408 3.045 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000277225663 393306389 /nfs/dbraw/zinc/30/63/89/393306389.db2.gz OHWJZNJEGBPYKF-KRWDZBQOSA-N 1 3 260.425 3.035 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000277225663 393306397 /nfs/dbraw/zinc/30/63/97/393306397.db2.gz OHWJZNJEGBPYKF-KRWDZBQOSA-N 1 3 260.425 3.035 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCCc2ccccc2)CC1 ZINC000277225663 393306407 /nfs/dbraw/zinc/30/64/07/393306407.db2.gz OHWJZNJEGBPYKF-KRWDZBQOSA-N 1 3 260.425 3.035 20 0 CGADHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)ccc1Cl ZINC000649308823 393396809 /nfs/dbraw/zinc/39/68/09/393396809.db2.gz VZFYZPPETQSKFO-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)ccc1Cl ZINC000649308823 393396810 /nfs/dbraw/zinc/39/68/10/393396810.db2.gz VZFYZPPETQSKFO-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)CCCc1cccc(F)c1 ZINC000420295981 393454191 /nfs/dbraw/zinc/45/41/91/393454191.db2.gz WKBIUZNQCXCSIX-INIZCTEOSA-N 1 3 266.404 3.064 20 0 CGADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1cccc(Cl)c1Cl ZINC000420301643 393455070 /nfs/dbraw/zinc/45/50/70/393455070.db2.gz IRAMZCYFMPPMGA-NSHDSACASA-N 1 3 287.234 3.425 20 0 CGADHO CCc1cccc(CN(CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000420316996 393463398 /nfs/dbraw/zinc/46/33/98/393463398.db2.gz UDKROPQWQAOXFW-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO CCc1cccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420394424 393483123 /nfs/dbraw/zinc/48/31/23/393483123.db2.gz KMGHUWAMGSUMQT-MSOLQXFVSA-N 1 3 272.436 3.213 20 0 CGADHO CCc1nc(C)c([C@H](C)N(C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420321357 393466268 /nfs/dbraw/zinc/46/62/68/393466268.db2.gz RAYPCWZHQUFNDE-UONOGXRCSA-N 1 3 295.496 3.396 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000358250378 393522199 /nfs/dbraw/zinc/52/21/99/393522199.db2.gz PATYQPRJYZELIN-CSMYWGQOSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000358250378 393522204 /nfs/dbraw/zinc/52/22/04/393522204.db2.gz PATYQPRJYZELIN-CSMYWGQOSA-N 1 3 276.399 3.133 20 0 CGADHO [NH3+]C1(CNC[C@H]2CCOc3ccccc32)CCCCCC1 ZINC000666808159 542816868 /nfs/dbraw/zinc/81/68/68/542816868.db2.gz DEAIORWNZAXIEL-OAHLLOKOSA-N 1 3 288.435 3.194 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666900744 542824829 /nfs/dbraw/zinc/82/48/29/542824829.db2.gz GJGWHNHXUYCXPP-MRXNPFEDSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC000430579231 393578361 /nfs/dbraw/zinc/57/83/61/393578361.db2.gz YHQHKWVGCDAWRQ-KBPBESRZSA-N 1 3 296.842 3.168 20 0 CGADHO C[C@H]1C[C@H](CCN(C)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000430635269 393582146 /nfs/dbraw/zinc/58/21/46/393582146.db2.gz GLDYPERSCWYQCZ-FICVDOATSA-N 1 3 252.446 3.133 20 0 CGADHO CCCC[C@H](COC)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422762134 393641746 /nfs/dbraw/zinc/64/17/46/393641746.db2.gz RSYAKFCKZCIKHU-BZUAXINKSA-N 1 3 270.461 3.092 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423050615 393649383 /nfs/dbraw/zinc/64/93/83/393649383.db2.gz YYPVAQYIIZWGPX-SIXLDLHFSA-N 1 3 282.472 3.090 20 0 CGADHO CC1CCC(C)(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000423086722 393650839 /nfs/dbraw/zinc/65/08/39/393650839.db2.gz NUAXDMODCPMOOO-PYBGIAKNSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423225959 393654500 /nfs/dbraw/zinc/65/45/00/393654500.db2.gz OWPYHLKKFXVCER-QWRGUYRKSA-N 1 3 290.329 3.016 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCC(C)(C)C[NH+](C)C)[C@@H](C)C2 ZINC000491368745 393683802 /nfs/dbraw/zinc/68/38/02/393683802.db2.gz QYDSFYPTBKPBFR-WMLDXEAASA-N 1 3 274.452 3.406 20 0 CGADHO Clc1oc2ccccc2c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952523 542828526 /nfs/dbraw/zinc/82/85/26/542828526.db2.gz ZPXQEPJUOBDOOP-CQSZACIVSA-N 1 3 290.794 3.318 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443676838 393770504 /nfs/dbraw/zinc/77/05/04/393770504.db2.gz VPEWKMFDJKEEOZ-CVEARBPZSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000443676838 393770506 /nfs/dbraw/zinc/77/05/06/393770506.db2.gz VPEWKMFDJKEEOZ-CVEARBPZSA-N 1 3 295.430 3.258 20 0 CGADHO COC[C@@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCCC1 ZINC000446940263 393864166 /nfs/dbraw/zinc/86/41/66/393864166.db2.gz DSQWCRZUFVRKHA-FUHWJXTLSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCCC1 ZINC000446940263 393864167 /nfs/dbraw/zinc/86/41/67/393864167.db2.gz DSQWCRZUFVRKHA-FUHWJXTLSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940263 393864169 /nfs/dbraw/zinc/86/41/69/393864169.db2.gz DSQWCRZUFVRKHA-FUHWJXTLSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000449100781 393875994 /nfs/dbraw/zinc/87/59/94/393875994.db2.gz SLUPPJMVTVEUTB-RVKKMQEKSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000449100781 393875996 /nfs/dbraw/zinc/87/59/96/393875996.db2.gz SLUPPJMVTVEUTB-RVKKMQEKSA-N 1 3 290.451 3.182 20 0 CGADHO Cc1ccc(C[C@H](C)N(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000502890110 393886860 /nfs/dbraw/zinc/88/68/60/393886860.db2.gz IJLWIAZDWNKKPM-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccc(C[C@H](C)N(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000502890110 393886865 /nfs/dbraw/zinc/88/68/65/393886865.db2.gz IJLWIAZDWNKKPM-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCCCC1 ZINC000666993805 542832725 /nfs/dbraw/zinc/83/27/25/542832725.db2.gz KYSJFSCGDIADKP-ZFWWWQNUSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]1CC([NH2+][C@H]2CCNC3(CCC3)C2)C[C@H](C)C1 ZINC000666995550 542833383 /nfs/dbraw/zinc/83/33/83/542833383.db2.gz QYKUECOQJCDVDJ-MCIONIFRSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995635 542834121 /nfs/dbraw/zinc/83/41/21/542834121.db2.gz UTFZXSMUMVRTET-CJNGLKHVSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995635 542834124 /nfs/dbraw/zinc/83/41/24/542834124.db2.gz UTFZXSMUMVRTET-CJNGLKHVSA-N 1 3 276.399 3.021 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000453073666 394162094 /nfs/dbraw/zinc/16/20/94/394162094.db2.gz FVIVLINJLNJZLF-GOSISDBHSA-N 1 3 272.436 3.417 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453087303 394167141 /nfs/dbraw/zinc/16/71/41/394167141.db2.gz YVIKVNLAXDKESC-MRXNPFEDSA-N 1 3 277.456 3.113 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccncc1 ZINC000453105518 394173068 /nfs/dbraw/zinc/17/30/68/394173068.db2.gz HSOGTMIIZJNKRS-WBVHZDCISA-N 1 3 275.440 3.243 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H](C)N1CCCCC1)c1ccncc1 ZINC000453199241 394203257 /nfs/dbraw/zinc/20/32/57/394203257.db2.gz XFLXZJQIQOUUGA-NVXWUHKLSA-N 1 3 275.440 3.387 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1(C2CCC2)CCC1 ZINC000453395460 394231468 /nfs/dbraw/zinc/23/14/68/394231468.db2.gz JUEHZLLZNJLTJJ-JKSUJKDBSA-N 1 3 262.441 3.173 20 0 CGADHO C[N@H+](CCCCNCc1cnc(C(C)(C)C)s1)C1CC1 ZINC000453595019 394253704 /nfs/dbraw/zinc/25/37/04/394253704.db2.gz JQXJRXOUZFRNAH-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO C[N@@H+](CCCCNCc1cnc(C(C)(C)C)s1)C1CC1 ZINC000453595019 394253707 /nfs/dbraw/zinc/25/37/07/394253707.db2.gz JQXJRXOUZFRNAH-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668784 543041087 /nfs/dbraw/zinc/04/10/87/543041087.db2.gz CRVHXADAIRCKPF-FWEDZOCSSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668784 543041090 /nfs/dbraw/zinc/04/10/90/543041090.db2.gz CRVHXADAIRCKPF-FWEDZOCSSA-N 1 3 276.468 3.418 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000668817824 543066084 /nfs/dbraw/zinc/06/60/84/543066084.db2.gz AIGPJZNOZTXNCT-IAGOWNOFSA-N 1 3 262.441 3.197 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000551264024 289105959 /nfs/dbraw/zinc/10/59/59/289105959.db2.gz ICTUEXHCLBTTGE-OFQRWUPVSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000551264024 289105960 /nfs/dbraw/zinc/10/59/60/289105960.db2.gz ICTUEXHCLBTTGE-OFQRWUPVSA-N 1 3 270.436 3.367 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C2CC2)cc1 ZINC000423386600 292110589 /nfs/dbraw/zinc/11/05/89/292110589.db2.gz LZNJWDFNVMCGGU-KURKYZTESA-N 1 3 272.436 3.176 20 0 CGADHO C(CNC1(C2CCC2)CC1)C[NH2+]C1(C2CCC2)CC1 ZINC000649810748 397726006 /nfs/dbraw/zinc/72/60/06/397726006.db2.gz XMPWQXKDNOHOIF-UHFFFAOYSA-N 1 3 262.441 3.221 20 0 CGADHO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000675722724 543358131 /nfs/dbraw/zinc/35/81/31/543358131.db2.gz OYWHFQAATQTACB-GJZGRUSLSA-N 1 3 278.440 3.466 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000677240016 543441436 /nfs/dbraw/zinc/44/14/36/543441436.db2.gz CZQIODJPPJQDOT-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240016 543441437 /nfs/dbraw/zinc/44/14/37/543441437.db2.gz CZQIODJPPJQDOT-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240016 543441438 /nfs/dbraw/zinc/44/14/38/543441438.db2.gz CZQIODJPPJQDOT-NCOADZHNSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)CCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677240781 543441612 /nfs/dbraw/zinc/44/16/12/543441612.db2.gz KMWDTIKCSDGTFH-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677240781 543441613 /nfs/dbraw/zinc/44/16/13/543441613.db2.gz KMWDTIKCSDGTFH-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000677240781 543441616 /nfs/dbraw/zinc/44/16/16/543441616.db2.gz KMWDTIKCSDGTFH-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000372061091 286011476 /nfs/dbraw/zinc/01/14/76/286011476.db2.gz NZJRFNNHHHERPO-CGTJXYLNSA-N 1 3 296.499 3.290 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765847 543554288 /nfs/dbraw/zinc/55/42/88/543554288.db2.gz HEHKFFOFUZYPEE-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765847 543554290 /nfs/dbraw/zinc/55/42/90/543554290.db2.gz HEHKFFOFUZYPEE-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC000678765847 543554292 /nfs/dbraw/zinc/55/42/92/543554292.db2.gz HEHKFFOFUZYPEE-IIDMSEBBSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000678774686 543557046 /nfs/dbraw/zinc/55/70/46/543557046.db2.gz BXLOPERDOBPGOC-WSTZPKSXSA-N 1 3 298.474 3.497 20 0 CGADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000678774686 543557049 /nfs/dbraw/zinc/55/70/49/543557049.db2.gz BXLOPERDOBPGOC-WSTZPKSXSA-N 1 3 298.474 3.497 20 0 CGADHO COCC1(C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CCC1 ZINC000361334000 292246378 /nfs/dbraw/zinc/24/63/78/292246378.db2.gz DCKPDPVMGNSBBK-JKSUJKDBSA-N 1 3 294.483 3.046 20 0 CGADHO COCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000423136755 292248485 /nfs/dbraw/zinc/24/84/85/292248485.db2.gz HLNUJYUYTUQEBW-IAGOWNOFSA-N 1 3 288.435 3.318 20 0 CGADHO CSC1(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CCC1 ZINC000235069253 286657426 /nfs/dbraw/zinc/65/74/26/286657426.db2.gz YEXZHQJKQGFPIF-UONOGXRCSA-N 1 3 270.486 3.173 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C1CCCC1)CN1CCCCC1 ZINC000054080889 286941165 /nfs/dbraw/zinc/94/11/65/286941165.db2.gz QITJZTINLMUZQD-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO [NH3+]CCCN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000071642990 286993756 /nfs/dbraw/zinc/99/37/56/286993756.db2.gz ZSIBREMREJKDOQ-UHFFFAOYSA-N 1 3 286.341 3.234 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255031 165182466 /nfs/dbraw/zinc/18/24/66/165182466.db2.gz WFMDPNHQWRLGKT-GDBMZVCRSA-N 1 3 289.448 3.249 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000086255031 165182470 /nfs/dbraw/zinc/18/24/70/165182470.db2.gz WFMDPNHQWRLGKT-GDBMZVCRSA-N 1 3 289.448 3.249 20 0 CGADHO COCc1cccc(C[NH2+]CCCN2CCC(C)CC2)c1 ZINC000088552810 165196586 /nfs/dbraw/zinc/19/65/86/165196586.db2.gz YRYMOOJJFIFNBH-UHFFFAOYSA-N 1 3 290.451 3.045 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000089143177 165199667 /nfs/dbraw/zinc/19/96/67/165199667.db2.gz YTOHVPHYKFYNIO-NJZAAPMLSA-N 1 3 280.387 3.002 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccs1 ZINC000089145724 165200257 /nfs/dbraw/zinc/20/02/57/165200257.db2.gz VWJSVDSLWQVDGL-FRRDWIJNSA-N 1 3 252.427 3.306 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1cccs1 ZINC000089145724 165200262 /nfs/dbraw/zinc/20/02/62/165200262.db2.gz VWJSVDSLWQVDGL-FRRDWIJNSA-N 1 3 252.427 3.306 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000089146237 165200786 /nfs/dbraw/zinc/20/07/86/165200786.db2.gz VFEGDSANERPJIQ-RISCZKNCSA-N 1 3 286.341 3.313 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1cc2ccccc2o1 ZINC000090076653 165225899 /nfs/dbraw/zinc/22/58/99/165225899.db2.gz RBLCVDIAQPJGGF-CPUCHLNUSA-N 1 3 286.419 3.294 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1cc2ccccc2o1 ZINC000090076653 165225900 /nfs/dbraw/zinc/22/59/00/165225900.db2.gz RBLCVDIAQPJGGF-CPUCHLNUSA-N 1 3 286.419 3.294 20 0 CGADHO C[C@H]1C[C@H](Nc2ccnc3ccccc32)CC[N@@H+]1C ZINC000090795311 165243285 /nfs/dbraw/zinc/24/32/85/165243285.db2.gz RJRILGRNQPLCEA-QWHCGFSZSA-N 1 3 255.365 3.129 20 0 CGADHO C[C@H]1C[C@H](Nc2ccnc3ccccc32)CC[N@H+]1C ZINC000090795311 165243287 /nfs/dbraw/zinc/24/32/87/165243287.db2.gz RJRILGRNQPLCEA-QWHCGFSZSA-N 1 3 255.365 3.129 20 0 CGADHO c1cc2c(cccc2CN2CC[C@H](C[NH+]3CCCCC3)C2)[nH]1 ZINC000093683866 165336753 /nfs/dbraw/zinc/33/67/53/165336753.db2.gz XRVCFBCSDHNBEX-MRXNPFEDSA-N 1 3 297.446 3.476 20 0 CGADHO c1cc2c(cccc2C[N@H+]2CC[C@H](CN3CCCCC3)C2)[nH]1 ZINC000093683866 165336758 /nfs/dbraw/zinc/33/67/58/165336758.db2.gz XRVCFBCSDHNBEX-MRXNPFEDSA-N 1 3 297.446 3.476 20 0 CGADHO c1cc2c(cccc2C[N@@H+]2CC[C@H](CN3CCCCC3)C2)[nH]1 ZINC000093683866 165336761 /nfs/dbraw/zinc/33/67/61/165336761.db2.gz XRVCFBCSDHNBEX-MRXNPFEDSA-N 1 3 297.446 3.476 20 0 CGADHO c1ccc(CN2CCC(Nc3cc[nH+]cc3)CC2)cc1 ZINC000021803950 171326836 /nfs/dbraw/zinc/32/68/36/171326836.db2.gz WHNPMAOUJSIXHN-UHFFFAOYSA-N 1 3 267.376 3.158 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C)s2)C1 ZINC000127168528 287282454 /nfs/dbraw/zinc/28/24/54/287282454.db2.gz RCFFNYDOJQOVSC-CYBMUJFWSA-N 1 3 280.481 3.477 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C)s2)C1 ZINC000127168528 287282459 /nfs/dbraw/zinc/28/24/59/287282459.db2.gz RCFFNYDOJQOVSC-CYBMUJFWSA-N 1 3 280.481 3.477 20 0 CGADHO C[C@@H](NC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000038040702 174041378 /nfs/dbraw/zinc/04/13/78/174041378.db2.gz CHZREWLNAXKMAA-CYBMUJFWSA-N 1 3 254.377 3.242 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)c1cccc2ccccc21 ZINC000038040702 174041380 /nfs/dbraw/zinc/04/13/80/174041380.db2.gz CHZREWLNAXKMAA-CYBMUJFWSA-N 1 3 254.377 3.242 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127993049 287300745 /nfs/dbraw/zinc/30/07/45/287300745.db2.gz UZPQDRDHEVLTOQ-IAGOWNOFSA-N 1 3 272.436 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127993049 287300746 /nfs/dbraw/zinc/30/07/46/287300746.db2.gz UZPQDRDHEVLTOQ-IAGOWNOFSA-N 1 3 272.436 3.181 20 0 CGADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402766180 416547855 /nfs/dbraw/zinc/54/78/55/416547855.db2.gz IBVGXHRTUIYRRM-ULQDDVLXSA-N 1 3 258.409 3.199 20 0 CGADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402766180 416547861 /nfs/dbraw/zinc/54/78/61/416547861.db2.gz IBVGXHRTUIYRRM-ULQDDVLXSA-N 1 3 258.409 3.199 20 0 CGADHO C[C@@H]1CCCN(Cc2coc3ccccc23)[C@@H]1CC[NH3+] ZINC000404267812 416553100 /nfs/dbraw/zinc/55/31/00/416553100.db2.gz IPAYQLGLMGSFRW-CZUORRHYSA-N 1 3 272.392 3.382 20 0 CGADHO Cc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000404452701 416555012 /nfs/dbraw/zinc/55/50/12/416555012.db2.gz ZORZNHMVFFPARH-SMDDNHRTSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CCN)s1 ZINC000404452701 416555015 /nfs/dbraw/zinc/55/50/15/416555015.db2.gz ZORZNHMVFFPARH-SMDDNHRTSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CCN)s1 ZINC000404452701 416555020 /nfs/dbraw/zinc/55/50/20/416555020.db2.gz ZORZNHMVFFPARH-SMDDNHRTSA-N 1 3 252.427 3.006 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000130565833 287358236 /nfs/dbraw/zinc/35/82/36/287358236.db2.gz MYZMTCYFGJCUMC-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000130565833 287358237 /nfs/dbraw/zinc/35/82/37/287358237.db2.gz MYZMTCYFGJCUMC-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000682074598 543822237 /nfs/dbraw/zinc/82/22/37/543822237.db2.gz QELBEPRLCHVQHT-APWZRJJASA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000682074598 543822238 /nfs/dbraw/zinc/82/22/38/543822238.db2.gz QELBEPRLCHVQHT-APWZRJJASA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000682074598 543822241 /nfs/dbraw/zinc/82/22/41/543822241.db2.gz QELBEPRLCHVQHT-APWZRJJASA-N 1 3 284.447 3.482 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076663 543823700 /nfs/dbraw/zinc/82/37/00/543823700.db2.gz VIYZYURWHQWUIO-YOEHRIQHSA-N 1 3 285.435 3.473 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076663 543823704 /nfs/dbraw/zinc/82/37/04/543823704.db2.gz VIYZYURWHQWUIO-YOEHRIQHSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc2[nH]ccc2c1 ZINC000682549179 543852022 /nfs/dbraw/zinc/85/20/22/543852022.db2.gz LNWOWBURSRBMKI-UHFFFAOYSA-N 1 3 285.435 3.476 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc2[nH]ccc2c1 ZINC000682549179 543852019 /nfs/dbraw/zinc/85/20/19/543852019.db2.gz LNWOWBURSRBMKI-UHFFFAOYSA-N 1 3 285.435 3.476 20 0 CGADHO C[C@H]([NH2+]CCC[C@@H]1CCOC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000683888806 543949592 /nfs/dbraw/zinc/94/95/92/543949592.db2.gz KXWGCBACJOVPFG-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO C[NH+](C)CCC1CCN(CCCCC(F)(F)F)CC1 ZINC000133461331 287423260 /nfs/dbraw/zinc/42/32/60/287423260.db2.gz PWGBPKCJYIEILF-UHFFFAOYSA-N 1 3 280.378 3.383 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653563058 419050031 /nfs/dbraw/zinc/05/00/31/419050031.db2.gz WSOKYVUFQLDSRK-MRXNPFEDSA-N 1 3 278.484 3.476 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653563058 419050035 /nfs/dbraw/zinc/05/00/35/419050035.db2.gz WSOKYVUFQLDSRK-MRXNPFEDSA-N 1 3 278.484 3.476 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924080 419034009 /nfs/dbraw/zinc/03/40/09/419034009.db2.gz BDWVPISYCAYNJR-CYBMUJFWSA-N 1 3 298.883 3.316 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000659924080 419034015 /nfs/dbraw/zinc/03/40/15/419034015.db2.gz BDWVPISYCAYNJR-CYBMUJFWSA-N 1 3 298.883 3.316 20 0 CGADHO CO[C@@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943357 419040020 /nfs/dbraw/zinc/04/00/20/419040020.db2.gz BLOCZPWNUBHBAY-ROUUACIJSA-N 1 3 294.483 3.142 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccnc2ccccc12 ZINC000665238703 419088464 /nfs/dbraw/zinc/08/84/64/419088464.db2.gz ARVGEHFHXACMEC-WMZOPIPTSA-N 1 3 283.419 3.027 20 0 CGADHO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1C ZINC000665246558 419090394 /nfs/dbraw/zinc/09/03/94/419090394.db2.gz IUFRNSGBCOURBE-HNNXBMFYSA-N 1 3 297.446 3.359 20 0 CGADHO c1cc2cc(C[NH2+]C3CC(N4CCCCC4)C3)ccc2[nH]1 ZINC000655768341 419092074 /nfs/dbraw/zinc/09/20/74/419092074.db2.gz WCYYCWCHCIRWOQ-UHFFFAOYSA-N 1 3 283.419 3.274 20 0 CGADHO c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000665252151 419094480 /nfs/dbraw/zinc/09/44/80/419094480.db2.gz IPBXUQPLYFCFAU-NCXUSEDFSA-N 1 3 284.447 3.300 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]CC[C@@H](N)C(C)C)C2CC2)cc1 ZINC000665280909 419100916 /nfs/dbraw/zinc/10/09/16/419100916.db2.gz OZVMPXBBOYHIFZ-MSOLQXFVSA-N 1 3 274.452 3.279 20 0 CGADHO Cc1ccc(C[C@H](NCC[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000665280909 419100918 /nfs/dbraw/zinc/10/09/18/419100918.db2.gz OZVMPXBBOYHIFZ-MSOLQXFVSA-N 1 3 274.452 3.279 20 0 CGADHO CCO[C@H]1C[C@H](NCC[C@@H]([NH3+])C(C)C)C12CCCCC2 ZINC000665280786 419102122 /nfs/dbraw/zinc/10/21/22/419102122.db2.gz LFPPCCQHBGEDFV-PMPSAXMXSA-N 1 3 282.472 3.077 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]CC[C@@H](N)C(C)C)C12CCCCC2 ZINC000665280786 419102126 /nfs/dbraw/zinc/10/21/26/419102126.db2.gz LFPPCCQHBGEDFV-PMPSAXMXSA-N 1 3 282.472 3.077 20 0 CGADHO CNC[C@H](C)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000665296251 419109100 /nfs/dbraw/zinc/10/91/00/419109100.db2.gz PJBOMXHVTKAKSW-FZMZJTMJSA-N 1 3 252.427 3.177 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665299474 419111291 /nfs/dbraw/zinc/11/12/91/419111291.db2.gz NUDGPVYQGLASBO-VBQJREDUSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@]1(c2ccccc2)CC1(C)C ZINC000665299474 419111294 /nfs/dbraw/zinc/11/12/94/419111294.db2.gz NUDGPVYQGLASBO-VBQJREDUSA-N 1 3 260.425 3.070 20 0 CGADHO CC1(C)C[C@@]1(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000665299842 419111987 /nfs/dbraw/zinc/11/19/87/419111987.db2.gz UHKZUURQRBMMMS-SUTQANCOSA-N 1 3 284.447 3.227 20 0 CGADHO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000660256046 419114678 /nfs/dbraw/zinc/11/46/78/419114678.db2.gz IMKIAWGQVVNQPF-UWWQBHOKSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCC1 ZINC000660256046 419114683 /nfs/dbraw/zinc/11/46/83/419114683.db2.gz IMKIAWGQVVNQPF-UWWQBHOKSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000660256046 419114686 /nfs/dbraw/zinc/11/46/86/419114686.db2.gz IMKIAWGQVVNQPF-UWWQBHOKSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](N[C@H](C)CC[NH+](C)C)CC2 ZINC000655703441 419069851 /nfs/dbraw/zinc/06/98/51/419069851.db2.gz QKSVJJAAYCQQTI-GDBMZVCRSA-N 1 3 260.425 3.221 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2ccccc2C(F)(F)F)C1 ZINC000656193192 419148329 /nfs/dbraw/zinc/14/83/29/419148329.db2.gz YQFZMWVPSNGNAG-STQMWFEESA-N 1 3 286.341 3.107 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC000656193192 419148331 /nfs/dbraw/zinc/14/83/31/419148331.db2.gz YQFZMWVPSNGNAG-STQMWFEESA-N 1 3 286.341 3.107 20 0 CGADHO CC[C@H](OCCN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656193241 419148742 /nfs/dbraw/zinc/14/87/42/419148742.db2.gz BMYAKLNNKBCTPG-ZACQAIPSSA-N 1 3 276.424 3.014 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656493814 419178444 /nfs/dbraw/zinc/17/84/44/419178444.db2.gz ZXZALPRMDZRGRV-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO COc1ccc(C(C)C)cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000655936327 419128509 /nfs/dbraw/zinc/12/85/09/419128509.db2.gz DIOKEDRMSBPFJE-AWEZNQCLSA-N 1 3 290.451 3.378 20 0 CGADHO C(=C/C[N@@H+]1C[C@@H]2CCCC[C@@H]21)\CN1C[C@@H]2CCCC[C@@H]21 ZINC000660933329 419216171 /nfs/dbraw/zinc/21/61/71/419216171.db2.gz PBQIWQWFUCKPKV-MHQYQMNXSA-N 1 3 274.452 3.291 20 0 CGADHO C(=C/C[N@H+]1C[C@@H]2CCCC[C@@H]21)\CN1C[C@@H]2CCCC[C@@H]21 ZINC000660933329 419216172 /nfs/dbraw/zinc/21/61/72/419216172.db2.gz PBQIWQWFUCKPKV-MHQYQMNXSA-N 1 3 274.452 3.291 20 0 CGADHO Fc1ccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000656786971 419220029 /nfs/dbraw/zinc/22/00/29/419220029.db2.gz YQCDJPGWNGSLOE-AWEZNQCLSA-N 1 3 294.389 3.176 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657548082 419301865 /nfs/dbraw/zinc/30/18/65/419301865.db2.gz RDDDWDXYJOLVOG-SQNIBIBYSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657548082 419301867 /nfs/dbraw/zinc/30/18/67/419301867.db2.gz RDDDWDXYJOLVOG-SQNIBIBYSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000657548082 419301869 /nfs/dbraw/zinc/30/18/69/419301869.db2.gz RDDDWDXYJOLVOG-SQNIBIBYSA-N 1 3 290.426 3.363 20 0 CGADHO CO[C@H](CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CCCCC1 ZINC000662265535 419374859 /nfs/dbraw/zinc/37/48/59/419374859.db2.gz QRSDKRSQIAOTNP-KZNAEPCWSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+](CC)[C@H]1CCCNCC1 ZINC000662266996 419374987 /nfs/dbraw/zinc/37/49/87/419374987.db2.gz PJZWYZCEWKWHHO-OLZOCXBDSA-N 1 3 262.388 3.132 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+](CC)[C@H]1CCCNCC1 ZINC000662266996 419374991 /nfs/dbraw/zinc/37/49/91/419374991.db2.gz PJZWYZCEWKWHHO-OLZOCXBDSA-N 1 3 262.388 3.132 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839724 419380772 /nfs/dbraw/zinc/38/07/72/419380772.db2.gz DYWLWXJNQMVYNI-ARKGTOAJSA-N 1 3 262.441 3.028 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839726 419381192 /nfs/dbraw/zinc/38/11/92/419381192.db2.gz DYWLWXJNQMVYNI-DGADGQDISA-N 1 3 262.441 3.028 20 0 CGADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284353 419386039 /nfs/dbraw/zinc/38/60/39/419386039.db2.gz MTYSIEAMUQYNKA-AHCXZYCDSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284353 419386044 /nfs/dbraw/zinc/38/60/44/419386044.db2.gz MTYSIEAMUQYNKA-AHCXZYCDSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284353 419386047 /nfs/dbraw/zinc/38/60/47/419386047.db2.gz MTYSIEAMUQYNKA-AHCXZYCDSA-N 1 3 272.436 3.382 20 0 CGADHO COc1ccc2cc(CNCC[C@@H]([NH3+])C(C)C)ccc2c1 ZINC000663498060 419635554 /nfs/dbraw/zinc/63/55/54/419635554.db2.gz JTZGNWGQLMPNLR-GOSISDBHSA-N 1 3 286.419 3.311 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000663502065 419635694 /nfs/dbraw/zinc/63/56/94/419635694.db2.gz FECGNDYSBXHLPW-LLLHUVSDSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000663502065 419635698 /nfs/dbraw/zinc/63/56/98/419635698.db2.gz FECGNDYSBXHLPW-LLLHUVSDSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1ccc(OC(F)(F)F)cc1 ZINC000663499300 419636698 /nfs/dbraw/zinc/63/66/98/419636698.db2.gz XJTSLRPFVUIKCU-CYBMUJFWSA-N 1 3 290.329 3.048 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000663502066 419637432 /nfs/dbraw/zinc/63/74/32/419637432.db2.gz FECGNDYSBXHLPW-QMCVQRASSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000663502066 419637436 /nfs/dbraw/zinc/63/74/36/419637436.db2.gz FECGNDYSBXHLPW-QMCVQRASSA-N 1 3 260.425 3.142 20 0 CGADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000663395178 419590485 /nfs/dbraw/zinc/59/04/85/419590485.db2.gz DHBUERXTMJJGHV-KFWWJZLASA-N 1 3 298.434 3.405 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464591 419615465 /nfs/dbraw/zinc/61/54/65/419615465.db2.gz DUAXBNHIZMBRFO-DLBZAZTESA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464591 419615472 /nfs/dbraw/zinc/61/54/72/419615472.db2.gz DUAXBNHIZMBRFO-DLBZAZTESA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464591 419615478 /nfs/dbraw/zinc/61/54/78/419615478.db2.gz DUAXBNHIZMBRFO-DLBZAZTESA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466796 419621763 /nfs/dbraw/zinc/62/17/63/419621763.db2.gz AFWJYQKMYLASEY-ZBFHGGJFSA-N 1 3 292.492 3.391 20 0 CGADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658163868 419626401 /nfs/dbraw/zinc/62/64/01/419626401.db2.gz BUIKOLBSYFZODY-GOSISDBHSA-N 1 3 287.451 3.072 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCc3ccoc3)CC2)C1 ZINC000658201625 419654375 /nfs/dbraw/zinc/65/43/75/419654375.db2.gz SAHGISQQZBRTGN-QAPCUYQASA-N 1 3 290.451 3.455 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000223025245 260259523 /nfs/dbraw/zinc/25/95/23/260259523.db2.gz YMCGLDKEWVUZDK-QGZVFWFLSA-N 1 3 260.425 3.458 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOCc1ccccc1 ZINC000390060920 262099014 /nfs/dbraw/zinc/09/90/14/262099014.db2.gz UDDPQRQWSSSNBR-WMZOPIPTSA-N 1 3 290.451 3.104 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535097 270036447 /nfs/dbraw/zinc/03/64/47/270036447.db2.gz BBADGCCTJQPTSQ-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535097 270036448 /nfs/dbraw/zinc/03/64/48/270036448.db2.gz BBADGCCTJQPTSQ-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533760 270036530 /nfs/dbraw/zinc/03/65/30/270036530.db2.gz XVYCUXYWEMFAND-OLZOCXBDSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533760 270036532 /nfs/dbraw/zinc/03/65/32/270036532.db2.gz XVYCUXYWEMFAND-OLZOCXBDSA-N 1 3 298.377 3.280 20 0 CGADHO CCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534855 270036549 /nfs/dbraw/zinc/03/65/49/270036549.db2.gz UCLRVEMIQPUHJP-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534855 270036550 /nfs/dbraw/zinc/03/65/50/270036550.db2.gz UCLRVEMIQPUHJP-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533854 270036595 /nfs/dbraw/zinc/03/65/95/270036595.db2.gz VCBDPTKIFXLABH-STQMWFEESA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533854 270036597 /nfs/dbraw/zinc/03/65/97/270036597.db2.gz VCBDPTKIFXLABH-STQMWFEESA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533758 270036622 /nfs/dbraw/zinc/03/66/22/270036622.db2.gz XVYCUXYWEMFAND-STQMWFEESA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC(F)F)cc1 ZINC000044533758 270036623 /nfs/dbraw/zinc/03/66/23/270036623.db2.gz XVYCUXYWEMFAND-STQMWFEESA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527805000 270137272 /nfs/dbraw/zinc/13/72/72/270137272.db2.gz TXIUSWZLFGQTET-BASYENTBSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000527805000 270137273 /nfs/dbraw/zinc/13/72/73/270137273.db2.gz TXIUSWZLFGQTET-BASYENTBSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)CN(C)C ZINC000527899842 270142890 /nfs/dbraw/zinc/14/28/90/270142890.db2.gz FZUYPBDWRKJIGD-MEBBXXQBSA-N 1 3 284.806 3.254 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000530215756 270195919 /nfs/dbraw/zinc/19/59/19/270195919.db2.gz IRAOHOYSEUFNBC-HJWJTTGWSA-N 1 3 270.420 3.053 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530222159 270196667 /nfs/dbraw/zinc/19/66/67/270196667.db2.gz QJZSKCWFQNJRDT-CPUCHLNUSA-N 1 3 288.435 3.061 20 0 CGADHO CC(C)(NCC[C@H]1CC[NH2+]C1)c1nc2ccccc2s1 ZINC000530223048 270196687 /nfs/dbraw/zinc/19/66/87/270196687.db2.gz LXCIRWLVWBNLEG-GFCCVEGCSA-N 1 3 289.448 3.121 20 0 CGADHO C[C@@H](N)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322240 274236466 /nfs/dbraw/zinc/23/64/66/274236466.db2.gz SGLKPQBPMIOHOO-CQSZACIVSA-N 1 3 254.377 3.133 20 0 CGADHO C[C@@H](N)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000420322240 274236468 /nfs/dbraw/zinc/23/64/68/274236468.db2.gz SGLKPQBPMIOHOO-CQSZACIVSA-N 1 3 254.377 3.133 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423449498 274237404 /nfs/dbraw/zinc/23/74/04/274237404.db2.gz RRQBZENIXHYSBA-PRFIWBCESA-N 1 3 297.240 3.323 20 0 CGADHO C[C@@H]1CC(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000423117952 274283237 /nfs/dbraw/zinc/28/32/37/274283237.db2.gz XXAZDXLPWQQVBF-XHSVMWQWSA-N 1 3 288.435 3.315 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138090 274305275 /nfs/dbraw/zinc/30/52/75/274305275.db2.gz RZYYIOYUSNSDRO-UBDQQSCGSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122261 274394674 /nfs/dbraw/zinc/39/46/74/274394674.db2.gz TYLJAJIUTDVUBZ-WPGHFRTFSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122261 274394675 /nfs/dbraw/zinc/39/46/75/274394675.db2.gz TYLJAJIUTDVUBZ-WPGHFRTFSA-N 1 3 278.827 3.400 20 0 CGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CC1CNC1 ZINC000423309505 276015804 /nfs/dbraw/zinc/01/58/04/276015804.db2.gz ZYQQLSVWZOMZCZ-INIZCTEOSA-N 1 3 280.843 3.106 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3ccccc32)CC1 ZINC000020133448 276151308 /nfs/dbraw/zinc/15/13/08/276151308.db2.gz SERDSLILMLCPNW-QGZVFWFLSA-N 1 3 258.409 3.138 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000271706323 276151631 /nfs/dbraw/zinc/15/16/31/276151631.db2.gz NMSHYAARQVGOAQ-SUMWQHHRSA-N 1 3 258.409 3.309 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCCCC1 ZINC000423202049 276286828 /nfs/dbraw/zinc/28/68/28/276286828.db2.gz AIAZBWGIXGOAIS-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO CCOCCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000422936495 276314412 /nfs/dbraw/zinc/31/44/12/276314412.db2.gz IJSUHTNUKQIVJH-DLBZAZTESA-N 1 3 288.435 3.318 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(-c2ccccc2)cc1 ZINC000258869056 287886280 /nfs/dbraw/zinc/88/62/80/287886280.db2.gz ZMXHNTLURVUWPL-AWEZNQCLSA-N 1 3 254.377 3.038 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000281944263 276772218 /nfs/dbraw/zinc/77/22/18/276772218.db2.gz AFPFPNCYRRTXPX-INIZCTEOSA-N 1 3 258.409 3.171 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000414844410 277031444 /nfs/dbraw/zinc/03/14/44/277031444.db2.gz REFSXCGNJLESEJ-SZMVWBNQSA-N 1 3 274.452 3.233 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000248175021 277069747 /nfs/dbraw/zinc/06/97/47/277069747.db2.gz VLLAHMGASOPADK-JLSDUUJJSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000248175021 277069749 /nfs/dbraw/zinc/06/97/49/277069749.db2.gz VLLAHMGASOPADK-JLSDUUJJSA-N 1 3 288.410 3.229 20 0 CGADHO COC1(C[C@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CCC1 ZINC000277394941 277189360 /nfs/dbraw/zinc/18/93/60/277189360.db2.gz ZDODNVBBSLCSQF-HNNXBMFYSA-N 1 3 290.451 3.186 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423269515 277282782 /nfs/dbraw/zinc/28/27/82/277282782.db2.gz HBOKSCIBBSWGJO-DUVNUKRYSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423269515 277282784 /nfs/dbraw/zinc/28/27/84/277282784.db2.gz HBOKSCIBBSWGJO-DUVNUKRYSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423255977 277282894 /nfs/dbraw/zinc/28/28/94/277282894.db2.gz BDQCJSOTVLNALO-BPUTZDHNSA-N 1 3 260.425 3.014 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090714606 277341580 /nfs/dbraw/zinc/34/15/80/277341580.db2.gz QUXNJLCNBOSJNN-SJJHQCBESA-N 1 3 264.457 3.418 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394536414 288002511 /nfs/dbraw/zinc/00/25/11/288002511.db2.gz OTNDMKCJPJYAGN-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO CSC1(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000356177205 278125327 /nfs/dbraw/zinc/12/53/27/278125327.db2.gz PQZXDFVIRCTLEL-GASCZTMLSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000356177205 278125328 /nfs/dbraw/zinc/12/53/28/278125328.db2.gz PQZXDFVIRCTLEL-GASCZTMLSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(C[NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000356177205 278125329 /nfs/dbraw/zinc/12/53/29/278125329.db2.gz PQZXDFVIRCTLEL-GASCZTMLSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC(F)(F)F ZINC000396951562 288018936 /nfs/dbraw/zinc/01/89/36/288018936.db2.gz QNHDSCVRLHLILU-IGQOVBAYSA-N 1 3 292.389 3.475 20 0 CGADHO CC1(C)CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090714593 278200929 /nfs/dbraw/zinc/20/09/29/278200929.db2.gz VWHUUTYKRHFOGL-HUUCEWRRSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](C[NH2+][C@H](C)C1CCSCC1)CN1CCCCC1 ZINC000187033483 278210200 /nfs/dbraw/zinc/21/02/00/278210200.db2.gz DPBOHTQLXIJTND-HUUCEWRRSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000423051743 278216313 /nfs/dbraw/zinc/21/63/13/278216313.db2.gz OYVNQLRRWDWANZ-UBDQQSCGSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000415111463 278216783 /nfs/dbraw/zinc/21/67/83/278216783.db2.gz QXJJUTZNCZNINB-BVUBDWEXSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000423292830 278319091 /nfs/dbraw/zinc/31/90/91/278319091.db2.gz OQPQQHADAZDRFW-ACJLOTCBSA-N 1 3 266.388 3.483 20 0 CGADHO CC1=C[C@@H](C)C[C@H](C[NH2+]CCCN2CCCC2)C1 ZINC000235665889 278505553 /nfs/dbraw/zinc/50/55/53/278505553.db2.gz QDUYWNBXMFTTBA-ZBFHGGJFSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(F)cc1 ZINC000422703315 278621047 /nfs/dbraw/zinc/62/10/47/278621047.db2.gz HQJIKBMIOIEZQJ-CZUORRHYSA-N 1 3 278.415 3.210 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](Cc1ccccn1)c1ccccc1 ZINC000423055393 288063044 /nfs/dbraw/zinc/06/30/44/288063044.db2.gz VZVIUXLPWJLISB-MPGHIAIKSA-N 1 3 283.419 3.081 20 0 CGADHO CC(C)C1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000414905541 278711672 /nfs/dbraw/zinc/71/16/72/278711672.db2.gz LKXMKBWMLLZPBL-GPANFISMSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000423070002 279082598 /nfs/dbraw/zinc/08/25/98/279082598.db2.gz BZEXOBDEXDBEDH-BBRMVZONSA-N 1 3 273.424 3.222 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000410378000 279095691 /nfs/dbraw/zinc/09/56/91/279095691.db2.gz JSFFHZUPXAQGRT-HOTGVXAUSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000410378000 279095692 /nfs/dbraw/zinc/09/56/92/279095692.db2.gz JSFFHZUPXAQGRT-HOTGVXAUSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000507524706 279097572 /nfs/dbraw/zinc/09/75/72/279097572.db2.gz JSWFPWAKWBRCDX-GJZGRUSLSA-N 1 3 252.446 3.299 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000174216101 279124915 /nfs/dbraw/zinc/12/49/15/279124915.db2.gz KZCUFRBWAXVXKY-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000174216101 279124919 /nfs/dbraw/zinc/12/49/19/279124919.db2.gz KZCUFRBWAXVXKY-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CCC2CCCC2)C1 ZINC000174216101 279124920 /nfs/dbraw/zinc/12/49/20/279124920.db2.gz KZCUFRBWAXVXKY-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@H](CCc1ccco1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157278419 279274944 /nfs/dbraw/zinc/27/49/44/279274944.db2.gz FKSHXAHPWFMWEE-DQYPLSBCSA-N 1 3 270.376 3.335 20 0 CGADHO C[C@H](CNC[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414893542 279347124 /nfs/dbraw/zinc/34/71/24/279347124.db2.gz RNAMRQGQQYTGEU-YGRLFVJLSA-N 1 3 286.341 3.136 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527682103 288188158 /nfs/dbraw/zinc/18/81/58/288188158.db2.gz CKSYPWHSRLUABU-CCKFTAQKSA-N 1 3 299.462 3.322 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217989 280013304 /nfs/dbraw/zinc/01/33/04/280013304.db2.gz TXTVBBQPCVDNQM-XGWLTEMNSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217989 280013309 /nfs/dbraw/zinc/01/33/09/280013309.db2.gz TXTVBBQPCVDNQM-XGWLTEMNSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423398287 280035718 /nfs/dbraw/zinc/03/57/18/280035718.db2.gz UHULRCPUVSUERJ-DJJJIMSYSA-N 1 3 278.399 3.313 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422816896 280051451 /nfs/dbraw/zinc/05/14/51/280051451.db2.gz GKMNTNACUXXWGK-XQLPTFJDSA-N 1 3 270.486 3.158 20 0 CGADHO C[C@H]1c2ccccc2CC[N@H+]1CCCN1CCCCC1 ZINC000444595383 280125755 /nfs/dbraw/zinc/12/57/55/280125755.db2.gz JECDLKYSYYCZIL-INIZCTEOSA-N 1 3 272.436 3.482 20 0 CGADHO C[C@H]1c2ccccc2CC[N@@H+]1CCCN1CCCCC1 ZINC000444595383 280125756 /nfs/dbraw/zinc/12/57/56/280125756.db2.gz JECDLKYSYYCZIL-INIZCTEOSA-N 1 3 272.436 3.482 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000437108074 280229933 /nfs/dbraw/zinc/22/99/33/280229933.db2.gz MCKMMBZYEQVBNU-AGIUHOORSA-N 1 3 278.362 3.180 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000437108074 280229936 /nfs/dbraw/zinc/22/99/36/280229936.db2.gz MCKMMBZYEQVBNU-AGIUHOORSA-N 1 3 278.362 3.180 20 0 CGADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN(C)C ZINC000037213629 280273849 /nfs/dbraw/zinc/27/38/49/280273849.db2.gz ZDYXJBAWGAVYOG-CYBMUJFWSA-N 1 3 260.381 3.344 20 0 CGADHO Cc1cc2c(cc1C)[C@@H](NCC1=CC[NH2+]CC1)CCS2 ZINC000335502080 280676761 /nfs/dbraw/zinc/67/67/61/280676761.db2.gz UXMJRELFLQAUHJ-INIZCTEOSA-N 1 3 288.460 3.350 20 0 CGADHO CC[C@H]1CCC[C@H](C[NH2+]CC2=CCN(C)CC2)C1 ZINC000344345532 281085823 /nfs/dbraw/zinc/08/58/23/281085823.db2.gz FAQPWTAPRYVHNP-HOCLYGCPSA-N 1 3 250.430 3.054 20 0 CGADHO COCCC1CCN([C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000530207228 288299763 /nfs/dbraw/zinc/29/97/63/288299763.db2.gz CLKVKGHYSBIIKV-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1=CCN(C)CC1)[C@H](C)C2 ZINC000272587522 281117021 /nfs/dbraw/zinc/11/70/21/281117021.db2.gz HKSPYOXXRYIBJL-RDTXWAMCSA-N 1 3 270.420 3.080 20 0 CGADHO CC[C@H]1C[C@H](C[N@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525761 281236302 /nfs/dbraw/zinc/23/63/02/281236302.db2.gz HYIYGWLXMWDZPI-SJORKVTESA-N 1 3 282.472 3.033 20 0 CGADHO CC[C@H]1C[C@H](C[N@@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525761 281236303 /nfs/dbraw/zinc/23/63/03/281236303.db2.gz HYIYGWLXMWDZPI-SJORKVTESA-N 1 3 282.472 3.033 20 0 CGADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CCCC12CCCCC2 ZINC000530214140 288300890 /nfs/dbraw/zinc/30/08/90/288300890.db2.gz BHHCHZKFVAIFKN-CABCVRRESA-N 1 3 262.441 3.364 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329902 281273664 /nfs/dbraw/zinc/27/36/64/281273664.db2.gz WZWPTLYLBAAQMA-JKIFEVAISA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329902 281273665 /nfs/dbraw/zinc/27/36/65/281273665.db2.gz WZWPTLYLBAAQMA-JKIFEVAISA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCNC[C@H]1C ZINC000423405397 281304286 /nfs/dbraw/zinc/30/42/86/281304286.db2.gz TWDCJKADCJSYBI-VDERGJSUSA-N 1 3 258.409 3.131 20 0 CGADHO Cc1ccccc1[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000271323415 281392718 /nfs/dbraw/zinc/39/27/18/281392718.db2.gz UEIWXTNLEFFOEM-DLBZAZTESA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccccc1[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000271323415 281392719 /nfs/dbraw/zinc/39/27/19/281392719.db2.gz UEIWXTNLEFFOEM-DLBZAZTESA-N 1 3 272.436 3.269 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)C1 ZINC000532474978 288363540 /nfs/dbraw/zinc/36/35/40/288363540.db2.gz JNIJAUBXWJEHSZ-OLZOCXBDSA-N 1 3 296.842 3.341 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449084404 288478518 /nfs/dbraw/zinc/47/85/18/288478518.db2.gz XPWYZBVRVDPDLC-ZACQAIPSSA-N 1 3 294.483 3.046 20 0 CGADHO CCc1ccc([C@@H](NC[C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000420369416 288549319 /nfs/dbraw/zinc/54/93/19/288549319.db2.gz IXWPKLWRESFRLY-RDJZCZTQSA-N 1 3 260.425 3.145 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000548787028 289022473 /nfs/dbraw/zinc/02/24/73/289022473.db2.gz FCACMPLTTUQMOX-UHFFFAOYSA-N 1 3 291.826 3.272 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000548787028 289022474 /nfs/dbraw/zinc/02/24/74/289022474.db2.gz FCACMPLTTUQMOX-UHFFFAOYSA-N 1 3 291.826 3.272 20 0 CGADHO CN1CC[C@H]([NH2+]CCOC2CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552250034 289175532 /nfs/dbraw/zinc/17/55/32/289175532.db2.gz STQJFMLJSDLSHB-BZSNNMDCSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@@H+]1CC[C@H](NCCOC2CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552250034 289175533 /nfs/dbraw/zinc/17/55/33/289175533.db2.gz STQJFMLJSDLSHB-BZSNNMDCSA-N 1 3 294.483 3.188 20 0 CGADHO C[N@H+]1CC[C@H](NCCOC2CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552250034 289175537 /nfs/dbraw/zinc/17/55/37/289175537.db2.gz STQJFMLJSDLSHB-BZSNNMDCSA-N 1 3 294.483 3.188 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000554072815 289255121 /nfs/dbraw/zinc/25/51/21/289255121.db2.gz UGPMZYLIPYFTSP-YJNKXOJESA-N 1 3 252.446 3.274 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC000424377700 295256689 /nfs/dbraw/zinc/25/66/89/295256689.db2.gz RNRGRZBGRVNISY-BRWVUGGUSA-N 1 3 288.435 3.277 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423409372 297110040 /nfs/dbraw/zinc/11/00/40/297110040.db2.gz YVEIGIVUHVQRIN-LYRGGWFBSA-N 1 3 278.827 3.379 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423161795 298886207 /nfs/dbraw/zinc/88/62/07/298886207.db2.gz SHVNRJYPJKZTAW-USZNOCQGSA-N 1 3 266.351 3.213 20 0 CGADHO Cc1ccccc1C1(CN[C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415097691 302094513 /nfs/dbraw/zinc/09/45/13/302094513.db2.gz DCYUJRWVECBZPA-HZPDHXFCSA-N 1 3 272.436 3.147 20 0 CGADHO FC1(F)CCC[C@H](CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000420396613 303126176 /nfs/dbraw/zinc/12/61/76/303126176.db2.gz LZKDDFQKURUONY-SOUVJXGZSA-N 1 3 286.410 3.276 20 0 CGADHO Fc1ccc(C2(C[NH2+][C@H]3CCCNCC3)CCCC2)cc1 ZINC000422878232 303129335 /nfs/dbraw/zinc/12/93/35/303129335.db2.gz JSMPXXVCLUDAJH-KRWDZBQOSA-N 1 3 290.426 3.369 20 0 CGADHO Fc1ccc(C2(CN[C@H]3CCC[NH2+]CC3)CCCC2)cc1 ZINC000422878232 303129337 /nfs/dbraw/zinc/12/93/37/303129337.db2.gz JSMPXXVCLUDAJH-KRWDZBQOSA-N 1 3 290.426 3.369 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423051324 303400555 /nfs/dbraw/zinc/40/05/55/303400555.db2.gz NPHBDZYBAWLUJK-MHORFTMASA-N 1 3 288.435 3.014 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000563424310 321997088 /nfs/dbraw/zinc/99/70/88/321997088.db2.gz KYUNRMGHOLNBHW-MHORFTMASA-N 1 3 288.435 3.014 20 0 CGADHO CCCCOc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000563716202 322007710 /nfs/dbraw/zinc/00/77/10/322007710.db2.gz PVIAPKVCNMNXBS-ZIAGYGMSSA-N 1 3 294.439 3.090 20 0 CGADHO C[C@H](c1cccc(O)c1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657670 322085440 /nfs/dbraw/zinc/08/54/40/322085440.db2.gz TYJGXOIXFYHXTH-CQSZACIVSA-N 1 3 296.414 3.231 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000565783524 322090963 /nfs/dbraw/zinc/09/09/63/322090963.db2.gz BFKCTGRDVLKRLX-IRXDYDNUSA-N 1 3 290.451 3.268 20 0 CGADHO CCCCOc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000565783524 322090964 /nfs/dbraw/zinc/09/09/64/322090964.db2.gz BFKCTGRDVLKRLX-IRXDYDNUSA-N 1 3 290.451 3.268 20 0 CGADHO CC[NH2+]CCCN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000565886460 322095325 /nfs/dbraw/zinc/09/53/25/322095325.db2.gz MUOLPMGBNQWGME-MRXNPFEDSA-N 1 3 280.843 3.250 20 0 CGADHO C(OC1CCN(C[C@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000566068514 322102623 /nfs/dbraw/zinc/10/26/23/322102623.db2.gz NJUUHRLFWGILLY-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO C(OC1CC[NH+](C[C@H]2CCCNC2)CC1)C1CCCCC1 ZINC000566068514 322102624 /nfs/dbraw/zinc/10/26/24/322102624.db2.gz NJUUHRLFWGILLY-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO CCCOc1cccc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000566230287 322110586 /nfs/dbraw/zinc/11/05/86/322110586.db2.gz ZFEOJQTYWFEGCK-UHFFFAOYSA-N 1 3 284.403 3.224 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(C3CCC3)cc2)C1 ZINC000566483441 322125669 /nfs/dbraw/zinc/12/56/69/322125669.db2.gz UGXIGZILXBBJJA-DLBZAZTESA-N 1 3 258.409 3.314 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000566555748 322129433 /nfs/dbraw/zinc/12/94/33/322129433.db2.gz VCPPJCCYJZYQRX-XKQJLSEDSA-N 1 3 288.435 3.180 20 0 CGADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1CN ZINC000566555748 322129435 /nfs/dbraw/zinc/12/94/35/322129435.db2.gz VCPPJCCYJZYQRX-XKQJLSEDSA-N 1 3 288.435 3.180 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2F)c2ccccc21 ZINC000567642445 322171530 /nfs/dbraw/zinc/17/15/30/322171530.db2.gz BHHWGKDRAABRLK-IRXDYDNUSA-N 1 3 288.341 3.242 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000568483373 322211085 /nfs/dbraw/zinc/21/10/85/322211085.db2.gz DIRYVBXBOROAMF-IPJUCJBFSA-N 1 3 286.463 3.427 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000568483373 322211086 /nfs/dbraw/zinc/21/10/86/322211086.db2.gz DIRYVBXBOROAMF-IPJUCJBFSA-N 1 3 286.463 3.427 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000568483373 322211089 /nfs/dbraw/zinc/21/10/89/322211089.db2.gz DIRYVBXBOROAMF-IPJUCJBFSA-N 1 3 286.463 3.427 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000569378436 322245833 /nfs/dbraw/zinc/24/58/33/322245833.db2.gz RCZIVGPZXACLPR-JKSUJKDBSA-N 1 3 276.424 3.014 20 0 CGADHO CCCN(Cc1ccc(C)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000569486208 322248716 /nfs/dbraw/zinc/24/87/16/322248716.db2.gz RMMOFZHRHXZTTQ-QGZVFWFLSA-N 1 3 260.425 3.207 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000570409993 322273052 /nfs/dbraw/zinc/27/30/52/322273052.db2.gz NAHQNPLAECUQCT-FXUDXRNXSA-N 1 3 294.826 3.030 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000570409994 322273066 /nfs/dbraw/zinc/27/30/66/322273066.db2.gz NAHQNPLAECUQCT-QKPAOTATSA-N 1 3 294.826 3.030 20 0 CGADHO CCCN(CCC[NH+](C)C)[C@@H](C)Cc1ccsc1 ZINC000571687218 322305381 /nfs/dbraw/zinc/30/53/81/322305381.db2.gz FRNULVUWBACCII-AWEZNQCLSA-N 1 3 268.470 3.343 20 0 CGADHO C[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)CN(C)C ZINC000572503407 322340563 /nfs/dbraw/zinc/34/05/63/322340563.db2.gz UCCOAFFNUAOBHW-SUMWQHHRSA-N 1 3 294.870 3.448 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C[C@H](C)O1 ZINC000572810682 322355866 /nfs/dbraw/zinc/35/58/66/322355866.db2.gz NILPMNDOSOUSLV-JLVBRIDZSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)s1 ZINC000573108112 322371069 /nfs/dbraw/zinc/37/10/69/322371069.db2.gz FITZMHXCAREISK-WKPIXPDZSA-N 1 3 287.432 3.289 20 0 CGADHO COc1cccc2c1CCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000584292396 327223712 /nfs/dbraw/zinc/22/37/12/327223712.db2.gz OEGWHSUEDVIFRJ-GOSISDBHSA-N 1 3 296.414 3.321 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000394878246 329163542 /nfs/dbraw/zinc/16/35/42/329163542.db2.gz GPZQBYNVVDPMHL-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO CSc1ccccc1C[C@H](C)NCCC[NH2+]C(C)C ZINC000582779447 329185042 /nfs/dbraw/zinc/18/50/42/329185042.db2.gz AWRPXYCWFMBBIS-AWEZNQCLSA-N 1 3 280.481 3.317 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000576822326 335251972 /nfs/dbraw/zinc/25/19/72/335251972.db2.gz BFGQSKADLMVSLU-PKOBYXMFSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000576822326 335251973 /nfs/dbraw/zinc/25/19/73/335251973.db2.gz BFGQSKADLMVSLU-PKOBYXMFSA-N 1 3 286.463 3.331 20 0 CGADHO Cc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000577114616 335302731 /nfs/dbraw/zinc/30/27/31/335302731.db2.gz IIUUCVYNSDKFTI-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000577114616 335302733 /nfs/dbraw/zinc/30/27/33/335302733.db2.gz IIUUCVYNSDKFTI-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000577562251 335368698 /nfs/dbraw/zinc/36/86/98/335368698.db2.gz WKUFFNQAGYMOEU-KRWDZBQOSA-N 1 3 290.426 3.298 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577964095 335441119 /nfs/dbraw/zinc/44/11/19/335441119.db2.gz YGPCFOCIPNCXMB-JJAZEVLHSA-N 1 3 258.409 3.170 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CCCNC1 ZINC000578518468 335644134 /nfs/dbraw/zinc/64/41/34/335644134.db2.gz FSTVIDFAKYAQPF-BGTYHANMSA-N 1 3 272.436 3.158 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000385188041 336141524 /nfs/dbraw/zinc/14/15/24/336141524.db2.gz ODJBWLMVTQTOKG-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](C[N@H+](C)C[C@@H]1CCCNC1)C1CCCCC1 ZINC000386184567 336167936 /nfs/dbraw/zinc/16/79/36/336167936.db2.gz JEOKJQXETDPOPG-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](C[N@@H+](C)C[C@@H]1CCCNC1)C1CCCCC1 ZINC000386184567 336167937 /nfs/dbraw/zinc/16/79/37/336167937.db2.gz JEOKJQXETDPOPG-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC12CCCC2 ZINC000386943519 336182879 /nfs/dbraw/zinc/18/28/79/336182879.db2.gz UZWCQOVWIISYBG-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO COc1cc(CNCc2ccc([C@H](C)[NH3+])cc2)ccc1C ZINC000414811133 533886937 /nfs/dbraw/zinc/88/69/37/533886937.db2.gz JAQNHRONHJWEKL-AWEZNQCLSA-N 1 3 284.403 3.313 20 0 CGADHO C[C@H](NC[C@H]([NH3+])C1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423314859 533898415 /nfs/dbraw/zinc/89/84/15/533898415.db2.gz HZFSMSPPQOERPK-ZETOZRRWSA-N 1 3 266.816 3.159 20 0 CGADHO CS[C@@H]1CC[C@@H]1NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000425366409 533985775 /nfs/dbraw/zinc/98/57/75/533985775.db2.gz ZZEXCRPVZOGJSF-HYVNUMGLSA-N 1 3 292.492 3.381 20 0 CGADHO CS[C@@H]1CC[C@@H]1NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366409 533985785 /nfs/dbraw/zinc/98/57/85/533985785.db2.gz ZZEXCRPVZOGJSF-HYVNUMGLSA-N 1 3 292.492 3.381 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1c(F)cccc1F)CN(C)C ZINC000425915114 534076364 /nfs/dbraw/zinc/07/63/64/534076364.db2.gz CRZPMZZEDCPJJV-STQMWFEESA-N 1 3 284.394 3.073 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)CN(C)C ZINC000425936620 534084539 /nfs/dbraw/zinc/08/45/39/534084539.db2.gz JIJBWHFOTBKDNC-NHYWBVRUSA-N 1 3 266.816 3.115 20 0 CGADHO CS[C@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000425359748 534115200 /nfs/dbraw/zinc/11/52/00/534115200.db2.gz SGDAQDXKRWVLAN-CVEARBPZSA-N 1 3 282.497 3.125 20 0 CGADHO CS[C@H]1CC[C@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000425359748 534115205 /nfs/dbraw/zinc/11/52/05/534115205.db2.gz SGDAQDXKRWVLAN-CVEARBPZSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H](Cc1ccccc1C(F)(F)F)NCC1([NH3+])CCC1 ZINC000423336590 534249189 /nfs/dbraw/zinc/24/91/89/534249189.db2.gz USZKHHGTGJOBMY-NSHDSACASA-N 1 3 286.341 3.107 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)c2ccccc21 ZINC000423407593 534257871 /nfs/dbraw/zinc/25/78/71/534257871.db2.gz WBWACMZREIQWDO-KFZJALRRSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)c2ccccc21 ZINC000423407593 534257874 /nfs/dbraw/zinc/25/78/74/534257874.db2.gz WBWACMZREIQWDO-KFZJALRRSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000358774552 534258114 /nfs/dbraw/zinc/25/81/14/534258114.db2.gz NRPMRHOQGTWMKY-AWEZNQCLSA-N 1 3 276.424 3.207 20 0 CGADHO C[C@@H](Cc1ccoc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000358774552 534258117 /nfs/dbraw/zinc/25/81/17/534258117.db2.gz NRPMRHOQGTWMKY-AWEZNQCLSA-N 1 3 276.424 3.207 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCN1CCCC1 ZINC000449218792 534266691 /nfs/dbraw/zinc/26/66/91/534266691.db2.gz KUBYGHJWPREIDP-HNNXBMFYSA-N 1 3 286.419 3.439 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)NCCC[NH+]1CCCC1 ZINC000449218792 534266694 /nfs/dbraw/zinc/26/66/94/534266694.db2.gz KUBYGHJWPREIDP-HNNXBMFYSA-N 1 3 286.419 3.439 20 0 CGADHO Cc1ccncc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368440867 534417784 /nfs/dbraw/zinc/41/77/84/534417784.db2.gz INFYEQBHPFCOBQ-SFHVURJKSA-N 1 3 295.430 3.002 20 0 CGADHO Fc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423391737 534498583 /nfs/dbraw/zinc/49/85/83/534498583.db2.gz PQTLUFWAJHCLMR-SFHVURJKSA-N 1 3 282.362 3.206 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000037643722 521710248 /nfs/dbraw/zinc/71/02/48/521710248.db2.gz NWYJPZMOWAIZCX-INIZCTEOSA-N 1 3 268.404 3.271 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000037643979 521717630 /nfs/dbraw/zinc/71/76/30/521717630.db2.gz FGPJKZUCASHMQO-QWHCGFSZSA-N 1 3 266.816 3.332 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000129710457 521721198 /nfs/dbraw/zinc/72/11/98/521721198.db2.gz FTPWXMSGEOTARI-INMHGKMJSA-N 1 3 292.492 3.487 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Sc2ccccc2)[C@H](C)C1 ZINC000129710457 521721199 /nfs/dbraw/zinc/72/11/99/521721199.db2.gz FTPWXMSGEOTARI-INMHGKMJSA-N 1 3 292.492 3.487 20 0 CGADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000049553317 522688622 /nfs/dbraw/zinc/68/86/22/522688622.db2.gz UVSURQGWMNOLKM-BBRMVZONSA-N 1 3 264.413 3.076 20 0 CGADHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000049554319 522933306 /nfs/dbraw/zinc/93/33/06/522933306.db2.gz VMGHKSASCZDVHJ-CZUORRHYSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422944434 534681130 /nfs/dbraw/zinc/68/11/30/534681130.db2.gz MGPDMWFUXPAFLB-IAGOWNOFSA-N 1 3 290.451 3.179 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])Cc1cccc(Cl)c1 ZINC000422873064 527177291 /nfs/dbraw/zinc/17/72/91/527177291.db2.gz JQODXWYMQPUVDW-LSDHHAIUSA-N 1 3 280.843 3.378 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCCc2ccccc2)c2ccccc21 ZINC000157263992 527417732 /nfs/dbraw/zinc/41/77/32/527417732.db2.gz YCZKMDBQQMCTEJ-ZWKOTPCHSA-N 1 3 266.388 3.354 20 0 CGADHO C(C[N@@H+]1CC[C@H](CN2CCCCC2)C1)C1CCCC1 ZINC000173874277 527482636 /nfs/dbraw/zinc/48/26/36/527482636.db2.gz TZIOYQAJFGEQHO-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(C[N@H+]1CC[C@H](CN2CCCCC2)C1)C1CCCC1 ZINC000173874277 527482644 /nfs/dbraw/zinc/48/26/44/527482644.db2.gz TZIOYQAJFGEQHO-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000173874277 527482649 /nfs/dbraw/zinc/48/26/49/527482649.db2.gz TZIOYQAJFGEQHO-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(C[NH2+][C@H]1CC[C@H]1C1CC1)NC1CCCCCC1 ZINC000423275578 527484796 /nfs/dbraw/zinc/48/47/96/527484796.db2.gz LUNRVIUECZPQRH-HOTGVXAUSA-N 1 3 250.430 3.077 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCNC2)C12CCCCC2 ZINC000423343171 527940621 /nfs/dbraw/zinc/94/06/21/527940621.db2.gz NPLWGYNEMVRJNI-BBWFWOEESA-N 1 3 294.483 3.094 20 0 CGADHO CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423367443 528067122 /nfs/dbraw/zinc/06/71/22/528067122.db2.gz MLSMCNKSMHTPPN-DETPVDSQSA-N 1 3 282.378 3.189 20 0 CGADHO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@H](C)CN)cc1 ZINC000414876549 528210950 /nfs/dbraw/zinc/21/09/50/528210950.db2.gz LNIRHRNXBSBSJF-ZTFGCOKTSA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)Sc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423295539 528328303 /nfs/dbraw/zinc/32/83/03/528328303.db2.gz FBQFZSUBFAWGJP-QWHCGFSZSA-N 1 3 266.454 3.433 20 0 CGADHO CCCC[N@H+](C)CC1CCN(CCc2cncs2)CC1 ZINC000411181318 528338516 /nfs/dbraw/zinc/33/85/16/528338516.db2.gz OMZKWFZJIGIJIT-UHFFFAOYSA-N 1 3 295.496 3.130 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(CCc2cncs2)CC1 ZINC000411181318 528338523 /nfs/dbraw/zinc/33/85/23/528338523.db2.gz OMZKWFZJIGIJIT-UHFFFAOYSA-N 1 3 295.496 3.130 20 0 CGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423419161 528438592 /nfs/dbraw/zinc/43/85/92/528438592.db2.gz ARAFHOSQSZGWHE-TWMKSMIVSA-N 1 3 292.854 3.105 20 0 CGADHO CCCNc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000414159925 528569738 /nfs/dbraw/zinc/56/97/38/528569738.db2.gz YWLSDIZQNLVHPQ-UHFFFAOYSA-N 1 3 287.451 3.225 20 0 CGADHO CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423329644 528689702 /nfs/dbraw/zinc/68/97/02/528689702.db2.gz TVQKINZQGZCNGK-DYVFJYSZSA-N 1 3 276.424 3.253 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000449100779 528834560 /nfs/dbraw/zinc/83/45/60/528834560.db2.gz SLUPPJMVTVEUTB-IIDMSEBBSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000449100779 528834564 /nfs/dbraw/zinc/83/45/64/528834564.db2.gz SLUPPJMVTVEUTB-IIDMSEBBSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cc2ccccc2o1 ZINC000423452456 529125764 /nfs/dbraw/zinc/12/57/64/529125764.db2.gz WJMHSFHWKMENQK-WQGACYEGSA-N 1 3 260.381 3.455 20 0 CGADHO CC[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000449252076 529159343 /nfs/dbraw/zinc/15/93/43/529159343.db2.gz PVOJFECSYRVSDB-GOSISDBHSA-N 1 3 287.451 3.466 20 0 CGADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423296244 529172344 /nfs/dbraw/zinc/17/23/44/529172344.db2.gz GKOLVLGLFDBPQB-SCLBCKFNSA-N 1 3 286.419 3.484 20 0 CGADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423296243 529177563 /nfs/dbraw/zinc/17/75/63/529177563.db2.gz GKOLVLGLFDBPQB-FZKQIMNGSA-N 1 3 286.419 3.484 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129871828 535420834 /nfs/dbraw/zinc/42/08/34/535420834.db2.gz PZYASIAKGUGMOX-IJEWVQPXSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129871828 535420838 /nfs/dbraw/zinc/42/08/38/535420838.db2.gz PZYASIAKGUGMOX-IJEWVQPXSA-N 1 3 276.424 3.219 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459520318 536137684 /nfs/dbraw/zinc/13/76/84/536137684.db2.gz ZOJFFAMYRPJRIB-BZSNNMDCSA-N 1 3 272.436 3.206 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459520318 536137688 /nfs/dbraw/zinc/13/76/88/536137688.db2.gz ZOJFFAMYRPJRIB-BZSNNMDCSA-N 1 3 272.436 3.206 20 0 CGADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459520318 536137690 /nfs/dbraw/zinc/13/76/90/536137690.db2.gz ZOJFFAMYRPJRIB-BZSNNMDCSA-N 1 3 272.436 3.206 20 0 CGADHO CN(C[C@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450983617 536443995 /nfs/dbraw/zinc/44/39/95/536443995.db2.gz RQAAESCSDQZPQS-JKXDFHQYSA-N 1 3 286.410 3.369 20 0 CGADHO CN(C[C@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450983617 536443997 /nfs/dbraw/zinc/44/39/97/536443997.db2.gz RQAAESCSDQZPQS-JKXDFHQYSA-N 1 3 286.410 3.369 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225877230 572343763 /nfs/dbraw/zinc/34/37/63/572343763.db2.gz DPILZLPNGPPYMI-OIISXLGYSA-N 1 3 258.409 3.212 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222932669 572362145 /nfs/dbraw/zinc/36/21/45/572362145.db2.gz JGFLXROMRLPWQV-YEWWUXTCSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222932669 572362148 /nfs/dbraw/zinc/36/21/48/572362148.db2.gz JGFLXROMRLPWQV-YEWWUXTCSA-N 1 3 288.435 3.145 20 0 CGADHO CC[NH+]1CCC(CNCc2nccc3ccccc32)CC1 ZINC000740898087 572467392 /nfs/dbraw/zinc/46/73/92/572467392.db2.gz NWHJANXJQIVXGP-UHFFFAOYSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1CC[NH+](C)CC1 ZINC000396446151 572485336 /nfs/dbraw/zinc/48/53/36/572485336.db2.gz POCWRURLKUANGV-XJKCOSOUSA-N 1 3 276.424 3.223 20 0 CGADHO CN(Cc1cccc2cccnc21)C1(C[NH3+])CCCCC1 ZINC000050088003 618649954 /nfs/dbraw/zinc/64/99/54/618649954.db2.gz DBPUVVQNBURKOM-UHFFFAOYSA-N 1 3 283.419 3.328 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC000892615141 618874966 /nfs/dbraw/zinc/87/49/66/618874966.db2.gz WNAZDESEOQQUNQ-OPFPJEHXSA-N 1 3 294.389 3.142 20 0 CGADHO C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1(C2CC2)CCC1 ZINC000925624208 619094824 /nfs/dbraw/zinc/09/48/24/619094824.db2.gz WQZPWGPEEGUWHO-SJORKVTESA-N 1 3 276.468 3.325 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@H](C)c2ccc[nH]2)CC1 ZINC000925646660 619105592 /nfs/dbraw/zinc/10/55/92/619105592.db2.gz WHHZFYMZHIPGDE-CQSZACIVSA-N 1 3 263.429 3.176 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000925726041 619183620 /nfs/dbraw/zinc/18/36/20/619183620.db2.gz XNLUERQZXLUKRU-VQHPVUNQSA-N 1 3 288.435 3.012 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)s1 ZINC000925777323 619240264 /nfs/dbraw/zinc/24/02/64/619240264.db2.gz DEKPLDFOERHYTF-WDEREUQCSA-N 1 3 288.407 3.206 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1C ZINC000925777248 619240465 /nfs/dbraw/zinc/24/04/65/619240465.db2.gz CVCLXYNNOBPSBH-HIFRSBDPSA-N 1 3 282.378 3.199 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c(C)s1 ZINC000925779696 619242243 /nfs/dbraw/zinc/24/22/43/619242243.db2.gz OQKXZAHTMZFKLU-CMPLNLGQSA-N 1 3 288.407 3.260 20 0 CGADHO FC1(F)CCNC[C@@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000925779868 619242381 /nfs/dbraw/zinc/24/23/81/619242381.db2.gz PTCIWFVFVNFRJU-YPMHNXCESA-N 1 3 298.402 3.058 20 0 CGADHO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000925829256 619281808 /nfs/dbraw/zinc/28/18/08/619281808.db2.gz NNUIBKMFNWFWCJ-SQWLQELKSA-N 1 3 276.424 3.042 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CCS1 ZINC000925861384 619298818 /nfs/dbraw/zinc/29/88/18/619298818.db2.gz OZYCXJWAYKNFRN-FKGLVLAHSA-N 1 3 262.422 3.005 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2cc(C)co2)CC1 ZINC000893939211 619336645 /nfs/dbraw/zinc/33/66/45/619336645.db2.gz ALNATMISPYUQJQ-UHFFFAOYSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ncoc1CNCCCCCCC[NH+]1CCCC1 ZINC000894242203 619437737 /nfs/dbraw/zinc/43/77/37/619437737.db2.gz VLWUOYVVDIRHDN-UHFFFAOYSA-N 1 3 279.428 3.119 20 0 CGADHO Cc1ccc(CC[NH2+]C[C@H]2CCN(C(C)C)C2)cc1C ZINC000894456864 619543962 /nfs/dbraw/zinc/54/39/62/619543962.db2.gz ROGRNHVUHPVDGV-GOSISDBHSA-N 1 3 274.452 3.166 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1)N(C)C ZINC000895294480 619797631 /nfs/dbraw/zinc/79/76/31/619797631.db2.gz QEKWMCPYDDPHIK-PVAVHDDUSA-N 1 3 260.425 3.253 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCS1 ZINC000902451079 621329785 /nfs/dbraw/zinc/32/97/85/621329785.db2.gz FKBGRBJRKTVRJK-BZUAXINKSA-N 1 3 296.524 3.419 20 0 CGADHO Clc1cccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)c1 ZINC000902462357 621336663 /nfs/dbraw/zinc/33/66/63/621336663.db2.gz VEWBLJQSFZCXJP-BMQFZULRSA-N 1 3 290.838 3.459 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)C1CC1 ZINC000902464988 621338276 /nfs/dbraw/zinc/33/82/76/621338276.db2.gz GHSIXXRALXVLGS-XLNGHYISSA-N 1 3 290.838 3.144 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466820 621338406 /nfs/dbraw/zinc/33/84/06/621338406.db2.gz NGABANCBSPAUCR-NOTNWKISSA-N 1 3 290.838 3.459 20 0 CGADHO Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)cc1 ZINC000902466898 621339273 /nfs/dbraw/zinc/33/92/73/621339273.db2.gz OLPAMWXNJPSYCF-FYNNLBNCSA-N 1 3 290.838 3.459 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000903329664 621703358 /nfs/dbraw/zinc/70/33/58/621703358.db2.gz CLNXBURMKVVGRL-ZOBUZTSGSA-N 1 3 296.499 3.433 20 0 CGADHO COC(C)(C)[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000903329664 621703363 /nfs/dbraw/zinc/70/33/63/621703363.db2.gz CLNXBURMKVVGRL-ZOBUZTSGSA-N 1 3 296.499 3.433 20 0 CGADHO C[C@@H]1CCCC[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903384372 621726596 /nfs/dbraw/zinc/72/65/96/621726596.db2.gz RBORMTILHWSAGL-OIISXLGYSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000903432524 621744683 /nfs/dbraw/zinc/74/46/83/621744683.db2.gz DNWLDLBUGVRATB-PBHICJAKSA-N 1 3 297.446 3.203 20 0 CGADHO Cc1ccc(CN2CCCC[C@@H]2C2(C[NH3+])CCC2)c(C)n1 ZINC000903811198 621814271 /nfs/dbraw/zinc/81/42/71/621814271.db2.gz JPAQIINSFWDLEH-QGZVFWFLSA-N 1 3 287.451 3.182 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](N)CC(F)F)c1 ZINC000903899927 621830135 /nfs/dbraw/zinc/83/01/35/621830135.db2.gz YURONOCZNFUUEU-HIFRSBDPSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H](N)CC(F)F)c1 ZINC000903899927 621830136 /nfs/dbraw/zinc/83/01/36/621830136.db2.gz YURONOCZNFUUEU-HIFRSBDPSA-N 1 3 282.378 3.423 20 0 CGADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@@H]1CC1CCCC1 ZINC000903931647 621834752 /nfs/dbraw/zinc/83/47/52/621834752.db2.gz HGICCDZTLPXEEM-QWHCGFSZSA-N 1 3 260.372 3.014 20 0 CGADHO COc1ccc(CNCCC(C)(C)[NH3+])c2ccccc12 ZINC000903941060 621838065 /nfs/dbraw/zinc/83/80/65/621838065.db2.gz MYSYYFGXHNWVKN-UHFFFAOYSA-N 1 3 272.392 3.065 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]C[C@H]1CNCCC1(F)F ZINC000903955370 621843209 /nfs/dbraw/zinc/84/32/09/621843209.db2.gz QDQAUWAEOIDALE-GFCCVEGCSA-N 1 3 294.345 3.076 20 0 CGADHO FC(F)(F)SCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000231938530 623349871 /nfs/dbraw/zinc/34/98/71/623349871.db2.gz ZULZMKQOOSBKAE-GRYCIOLGSA-N 1 3 296.402 3.140 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCCC[C@H]1CN)SC ZINC000232933610 624455025 /nfs/dbraw/zinc/45/50/25/624455025.db2.gz ZPZYWFBHZOFOCS-QWHCGFSZSA-N 1 3 258.475 3.015 20 0 CGADHO C(C1CCC2(CC2)CC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000923355559 626148674 /nfs/dbraw/zinc/14/86/74/626148674.db2.gz NSPLJAMXFFAGFP-QGZVFWFLSA-N 1 3 262.441 3.032 20 0 CGADHO C(C1CCC2(CC2)CC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000923355559 626148675 /nfs/dbraw/zinc/14/86/75/626148675.db2.gz NSPLJAMXFFAGFP-QGZVFWFLSA-N 1 3 262.441 3.032 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(CCc2cccc(F)c2)C1 ZINC000923414320 626151818 /nfs/dbraw/zinc/15/18/18/626151818.db2.gz LGMKBHCQZWMJNJ-QGZVFWFLSA-N 1 3 278.415 3.065 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H](C)C[NH+]1CCCC1 ZINC000765119260 627240996 /nfs/dbraw/zinc/24/09/96/627240996.db2.gz MRKOYHSBLNPHOB-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000765490880 627253229 /nfs/dbraw/zinc/25/32/29/627253229.db2.gz YPWFOPLUEXXZBJ-CQSZACIVSA-N 1 3 299.418 3.386 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000765490880 627253232 /nfs/dbraw/zinc/25/32/32/627253232.db2.gz YPWFOPLUEXXZBJ-CQSZACIVSA-N 1 3 299.418 3.386 20 0 CGADHO CC1(O)CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000766479612 627335701 /nfs/dbraw/zinc/33/57/01/627335701.db2.gz PGUHAQNJOIDFTG-UHFFFAOYSA-N 1 3 294.483 3.067 20 0 CGADHO c1ccc(-c2ccccc2CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000770393140 627617139 /nfs/dbraw/zinc/61/71/39/627617139.db2.gz AVJMXUUQMWWQIY-HDICACEKSA-N 1 3 278.399 3.005 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000773070556 627850058 /nfs/dbraw/zinc/85/00/58/627850058.db2.gz XRVZLHKIYKBNKG-NVXWUHKLSA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2c(C)cccc2C)[C@H](C)C1 ZINC000773070556 627850060 /nfs/dbraw/zinc/85/00/60/627850060.db2.gz XRVZLHKIYKBNKG-NVXWUHKLSA-N 1 3 260.425 3.123 20 0 CGADHO C[C@@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000783230975 628691358 /nfs/dbraw/zinc/69/13/58/628691358.db2.gz OKKUDPQNBJKTNE-RHSMWYFYSA-N 1 3 264.457 3.419 20 0 CGADHO C[NH+]1CCC2(CCCN2Cc2cnc3ccccc3c2)CC1 ZINC000789559688 629145017 /nfs/dbraw/zinc/14/50/17/629145017.db2.gz VRMYRRQLUBJGBJ-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cnc3ccccc3c2)CC1 ZINC000789559688 629145021 /nfs/dbraw/zinc/14/50/21/629145021.db2.gz VRMYRRQLUBJGBJ-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cnc3ccccc3c2)CC1 ZINC000789559688 629145023 /nfs/dbraw/zinc/14/50/23/629145023.db2.gz VRMYRRQLUBJGBJ-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925493511 629940073 /nfs/dbraw/zinc/94/00/73/629940073.db2.gz XVNGRQTYPXEBGI-QRQLOZEOSA-N 1 3 284.447 3.084 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000809735679 630794845 /nfs/dbraw/zinc/79/48/45/630794845.db2.gz OPSZIDXIJUIFFP-KGLIPLIRSA-N 1 3 272.502 3.227 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000809735678 630795300 /nfs/dbraw/zinc/79/53/00/630795300.db2.gz OPSZIDXIJUIFFP-KBPBESRZSA-N 1 3 272.502 3.227 20 0 CGADHO C[C@@H]1[C@@H](C)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000816648245 632036274 /nfs/dbraw/zinc/03/62/74/632036274.db2.gz HMBWCJAITRCQGC-JKSUJKDBSA-N 1 3 288.435 3.001 20 0 CGADHO CCc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000817929558 632236410 /nfs/dbraw/zinc/23/64/10/632236410.db2.gz PTTRIPVADKABKT-GUDVDZBRSA-N 1 3 296.414 3.017 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(SC(F)F)cc1 ZINC000817965143 632260477 /nfs/dbraw/zinc/26/04/77/632260477.db2.gz MRGTWEGRMICIRL-NOZJJQNGSA-N 1 3 286.391 3.389 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000817972668 632266618 /nfs/dbraw/zinc/26/66/18/632266618.db2.gz ZPALWPLRPGRYQI-JFOHDYCDSA-N 1 3 276.399 3.192 20 0 CGADHO C[C@@H](CSC(C)(C)C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000817986021 632274620 /nfs/dbraw/zinc/27/46/20/632274620.db2.gz PBFDPFNPGXMKAG-STQMWFEESA-N 1 3 270.486 3.171 20 0 CGADHO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000817986021 632274616 /nfs/dbraw/zinc/27/46/16/632274616.db2.gz PBFDPFNPGXMKAG-STQMWFEESA-N 1 3 270.486 3.171 20 0 CGADHO CC1(C)[C@H](c2ccccc2F)CCN1C[C@H]1CC[NH2+]C1 ZINC000866702726 633233885 /nfs/dbraw/zinc/23/38/85/633233885.db2.gz FTCNPHOPVODZEO-ZFWWWQNUSA-N 1 3 276.399 3.003 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824773113 633286954 /nfs/dbraw/zinc/28/69/54/633286954.db2.gz JIPMSWXIWOZQKX-CYBMUJFWSA-N 1 3 293.282 3.423 20 0 CGADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc([O-])c1F ZINC000872080860 634004912 /nfs/dbraw/zinc/00/49/12/634004912.db2.gz TVJCCLKPGUVCPX-PNESKVBLSA-N 1 3 280.387 3.055 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2cccc3ncccc23)[C@H](C)C1 ZINC000872124165 634046315 /nfs/dbraw/zinc/04/63/15/634046315.db2.gz GBGYKUYJPPOGDB-PBHICJAKSA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2cccc3ncccc23)[C@H](C)C1 ZINC000872124165 634046323 /nfs/dbraw/zinc/04/63/23/634046323.db2.gz GBGYKUYJPPOGDB-PBHICJAKSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)[N@@H+]1CCC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873044608 634236370 /nfs/dbraw/zinc/23/63/70/634236370.db2.gz SDFARXUWWCHRLO-MRXNPFEDSA-N 1 3 297.446 3.445 20 0 CGADHO CC(C)[N@H+]1CCC[C@H](CNCc2cccc3ncccc23)C1 ZINC000873044608 634236376 /nfs/dbraw/zinc/23/63/76/634236376.db2.gz SDFARXUWWCHRLO-MRXNPFEDSA-N 1 3 297.446 3.445 20 0 CGADHO CC(C)[N@@H+]1CCC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873044607 634236553 /nfs/dbraw/zinc/23/65/53/634236553.db2.gz SDFARXUWWCHRLO-INIZCTEOSA-N 1 3 297.446 3.445 20 0 CGADHO CC(C)[N@H+]1CCC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873044607 634236561 /nfs/dbraw/zinc/23/65/61/634236561.db2.gz SDFARXUWWCHRLO-INIZCTEOSA-N 1 3 297.446 3.445 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882878197 636443277 /nfs/dbraw/zinc/44/32/77/636443277.db2.gz UCTZOMXTDMHDTI-CQSZACIVSA-N 1 3 280.460 3.133 20 0 CGADHO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)N2CCCC2)c1 ZINC000848986655 636705041 /nfs/dbraw/zinc/70/50/41/636705041.db2.gz QEOVLSPMHOSGRU-CQSZACIVSA-N 1 3 288.439 3.231 20 0 CGADHO CC[C@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)N1CCCC1 ZINC000849060790 636736534 /nfs/dbraw/zinc/73/65/34/636736534.db2.gz QBQIUSZJWKVHDB-HZPDHXFCSA-N 1 3 296.503 3.190 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccncc3s2)C1 ZINC000850174791 636974285 /nfs/dbraw/zinc/97/42/85/636974285.db2.gz USLPTCUCCFVLDA-UONOGXRCSA-N 1 3 289.448 3.259 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886011002 637358896 /nfs/dbraw/zinc/35/88/96/637358896.db2.gz UORPPKNVZXUAGI-GVDBMIGSSA-N 1 3 294.483 3.331 20 0 CGADHO CS[C@@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000300663935 637849383 /nfs/dbraw/zinc/84/93/83/637849383.db2.gz LDKOFNQIWLTXDY-DRABBMOASA-N 1 3 262.422 3.005 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCc2ccsc2)CC1 ZINC000924602390 638372742 /nfs/dbraw/zinc/37/27/42/638372742.db2.gz MSSGFGLYEGWPJN-UHFFFAOYSA-N 1 3 280.481 3.391 20 0 CGADHO CC(C)CC[NH+]1CCC(NCCc2ccsc2)CC1 ZINC000924602390 638372748 /nfs/dbraw/zinc/37/27/48/638372748.db2.gz MSSGFGLYEGWPJN-UHFFFAOYSA-N 1 3 280.481 3.391 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924961471 638431890 /nfs/dbraw/zinc/43/18/90/638431890.db2.gz WEXLYQSPFKPNRO-HNNXBMFYSA-N 1 3 264.457 3.419 20 0 CGADHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000925152720 638462262 /nfs/dbraw/zinc/46/22/62/638462262.db2.gz SMRJHLHSTOWFLF-ZDUSSCGKSA-N 1 3 294.414 3.304 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925503412 638512686 /nfs/dbraw/zinc/51/26/86/638512686.db2.gz JJNZZRNOLDWXSA-VVLHAWIVSA-N 1 3 296.524 3.419 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC(C)(C)[C@@H](O)C(C)C)CC1 ZINC000925617292 638546133 /nfs/dbraw/zinc/54/61/33/638546133.db2.gz PIFDDGOTBXUKDR-KRWDZBQOSA-N 1 3 298.515 3.130 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657897 638559285 /nfs/dbraw/zinc/55/92/85/638559285.db2.gz UVPOATAJUDAZSH-SCRDCRAPSA-N 1 3 268.351 3.100 20 0 CGADHO C1=C(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCCC1 ZINC000925682075 638566935 /nfs/dbraw/zinc/56/69/35/638566935.db2.gz ZWWZQHJEVFMSIM-IAGOWNOFSA-N 1 3 262.441 3.245 20 0 CGADHO C1=C(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925682075 638566939 /nfs/dbraw/zinc/56/69/39/638566939.db2.gz ZWWZQHJEVFMSIM-IAGOWNOFSA-N 1 3 262.441 3.245 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H](c2ccccn2)C2CCC2)C1 ZINC000925724235 638582787 /nfs/dbraw/zinc/58/27/87/638582787.db2.gz XNAAOKDJNYUCLM-INMHGKMJSA-N 1 3 287.451 3.418 20 0 CGADHO c1cc2c(cccc2CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)[nH]1 ZINC000925731248 638585851 /nfs/dbraw/zinc/58/58/51/638585851.db2.gz ZOWKNGRMXJZCLT-MJGOQNOKSA-N 1 3 297.446 3.426 20 0 CGADHO CC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC(F)(F)C1 ZINC000925733846 638587442 /nfs/dbraw/zinc/58/74/42/638587442.db2.gz LOHIOBHNQBUAFW-KBPBESRZSA-N 1 3 286.410 3.180 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000925758987 638599830 /nfs/dbraw/zinc/59/98/30/638599830.db2.gz JHQWOJQRFCRTDF-QGZVFWFLSA-N 1 3 288.435 3.276 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCCc3ccccc3C2)CC1 ZINC000925761474 638601476 /nfs/dbraw/zinc/60/14/76/638601476.db2.gz VUXZSOLBPNGDDG-KRWDZBQOSA-N 1 3 272.436 3.137 20 0 CGADHO CCC1(N)CC[NH+]([C@H](C2CC2)C2CCCC2)CC1 ZINC000925761760 638601581 /nfs/dbraw/zinc/60/15/81/638601581.db2.gz YUMQOPNYWHWILJ-HNNXBMFYSA-N 1 3 250.430 3.159 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@@]12C[C@@H]1CCCC2 ZINC000925802321 638617526 /nfs/dbraw/zinc/61/75/26/638617526.db2.gz LZZNAVFVYWLKRS-XLAORIBOSA-N 1 3 276.468 3.325 20 0 CGADHO C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)N1CCCCC1 ZINC000926143594 638721104 /nfs/dbraw/zinc/72/11/04/638721104.db2.gz NIEKTDYHFUOFBU-WZYMTQMTSA-N 1 3 282.497 3.267 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CCC[C@@H](C)O2)CC1 ZINC000926704306 638801325 /nfs/dbraw/zinc/80/13/25/638801325.db2.gz JHKLHKOYCSZIAH-NVXWUHKLSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2=CCCC2)CC1 ZINC000926716628 638802877 /nfs/dbraw/zinc/80/28/77/638802877.db2.gz HGLLPIZMSBMDKF-UHFFFAOYSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)CC[NH+]1CCC(NCC2=CCCC2)CC1 ZINC000926716628 638802878 /nfs/dbraw/zinc/80/28/78/638802878.db2.gz HGLLPIZMSBMDKF-UHFFFAOYSA-N 1 3 250.430 3.197 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1CC2CCC1CC2)c1cccnc1 ZINC000926901673 638823087 /nfs/dbraw/zinc/82/30/87/638823087.db2.gz SEACZANAKQVPJO-UQVLAFNGSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000927022746 638833085 /nfs/dbraw/zinc/83/30/85/638833085.db2.gz ZYCZDFILEFMYKA-INIZCTEOSA-N 1 3 294.483 3.331 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000927025308 638833342 /nfs/dbraw/zinc/83/33/42/638833342.db2.gz HHKAQNINDJLXQQ-JQHSSLGASA-N 1 3 296.499 3.170 20 0 CGADHO C[N@@H+]1C[C@@]2(C)CN(CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316796 639134920 /nfs/dbraw/zinc/13/49/20/639134920.db2.gz KMVPRLCICGTFJG-KFWWJZLASA-N 1 3 286.410 3.086 20 0 CGADHO C[N@H+]1C[C@@]2(C)CN(CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316796 639134921 /nfs/dbraw/zinc/13/49/21/639134921.db2.gz KMVPRLCICGTFJG-KFWWJZLASA-N 1 3 286.410 3.086 20 0 CGADHO Cc1ccc(CCC[NH+]2CCC(C)(N(C)C)CC2)cc1 ZINC000931353787 639139865 /nfs/dbraw/zinc/13/98/65/639139865.db2.gz FANOFZLVYQYLGB-UHFFFAOYSA-N 1 3 274.452 3.344 20 0 CGADHO C[C@H](c1ccc(F)nc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000931467803 639155847 /nfs/dbraw/zinc/15/58/47/639155847.db2.gz NZGKSYNLGVGASN-CQSZACIVSA-N 1 3 291.414 3.090 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251148852 640822782 /nfs/dbraw/zinc/82/27/82/640822782.db2.gz GRFXXNQYOVEZTR-BHYGNILZSA-N 1 3 260.425 3.033 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cc2ccccc2o1 ZINC000251423473 640826463 /nfs/dbraw/zinc/82/64/63/640826463.db2.gz HPMGKAXHIHRBCI-UBHSHLNASA-N 1 3 258.365 3.211 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C)CC2)C1 ZINC000251577695 640829235 /nfs/dbraw/zinc/82/92/35/640829235.db2.gz AXNWILQCCNDEMQ-OAGGEKHMSA-N 1 3 252.446 3.275 20 0 CGADHO CCCCN1CCCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000303377275 640832027 /nfs/dbraw/zinc/83/20/27/640832027.db2.gz PCBCJDZKNJZABZ-INIZCTEOSA-N 1 3 288.439 3.277 20 0 CGADHO CN(C)c1cccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158265403 805932040 /nfs/dbraw/zinc/93/20/40/805932040.db2.gz GYIHNCOJLPIFOQ-DYVFJYSZSA-N 1 3 290.455 3.103 20 0 CGADHO Cc1nc2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cc2[nH]1 ZINC001159603599 806129270 /nfs/dbraw/zinc/12/92/70/806129270.db2.gz LDPMUUCWUJYURR-UHFFFAOYSA-N 1 3 278.359 3.261 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001254504473 806423112 /nfs/dbraw/zinc/42/31/12/806423112.db2.gz BNKOYJUKBUNWNT-MLGOLLRUSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC001254504473 806423116 /nfs/dbraw/zinc/42/31/16/806423116.db2.gz BNKOYJUKBUNWNT-MLGOLLRUSA-N 1 3 278.827 3.401 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1cc(F)cc(F)c1 ZINC001254506016 806425020 /nfs/dbraw/zinc/42/50/20/806425020.db2.gz NLYVMDADYRQMOU-ABAIWWIYSA-N 1 3 268.351 3.100 20 0 CGADHO C[N@@H+]1CCC[C@H](NC2(c3ccc(F)cc3)CCC2)CC1 ZINC001254508774 806427054 /nfs/dbraw/zinc/42/70/54/806427054.db2.gz LXWRCRYYWRXXCB-INIZCTEOSA-N 1 3 276.399 3.279 20 0 CGADHO C[N@H+]1CCC[C@H](NC2(c3ccc(F)cc3)CCC2)CC1 ZINC001254508774 806427061 /nfs/dbraw/zinc/42/70/61/806427061.db2.gz LXWRCRYYWRXXCB-INIZCTEOSA-N 1 3 276.399 3.279 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509996 806431481 /nfs/dbraw/zinc/43/14/81/806431481.db2.gz LAPWZYKKMSRIGN-DLBZAZTESA-N 1 3 276.399 3.351 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509996 806431487 /nfs/dbraw/zinc/43/14/87/806431487.db2.gz LAPWZYKKMSRIGN-DLBZAZTESA-N 1 3 276.399 3.351 20 0 CGADHO C[C@H]1CCCCN1c1cccc(NCCCC[NH+](C)C)n1 ZINC001161728833 806438487 /nfs/dbraw/zinc/43/84/87/806438487.db2.gz YKCVUTXUWWOFED-HNNXBMFYSA-N 1 3 290.455 3.214 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524607 806440020 /nfs/dbraw/zinc/44/00/20/806440020.db2.gz XQIBYFOZBCSARA-SJORKVTESA-N 1 3 273.424 3.093 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCCC[C@H]2c2cccnc2)CC1 ZINC001254524607 806440023 /nfs/dbraw/zinc/44/00/23/806440023.db2.gz XQIBYFOZBCSARA-SJORKVTESA-N 1 3 273.424 3.093 20 0 CGADHO CN1CCC[C@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001254528037 806443661 /nfs/dbraw/zinc/44/36/61/806443661.db2.gz BUKJSTHWEFJAAQ-CABCVRRESA-N 1 3 268.420 3.075 20 0 CGADHO CC(C)C(C[NH2+]CCCN1CCCCC1)C(C)C ZINC000310971236 799223876 /nfs/dbraw/zinc/22/38/76/799223876.db2.gz GUANWENYAFRUIC-UHFFFAOYSA-N 1 3 254.462 3.380 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000394381548 799496097 /nfs/dbraw/zinc/49/60/97/799496097.db2.gz QQAJESOSZZMGKD-JCYILVPMSA-N 1 3 264.457 3.277 20 0 CGADHO CCCC[C@H](CC)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403312333 799565342 /nfs/dbraw/zinc/56/53/42/799565342.db2.gz YZCNRTMIPLXOIH-QWHCGFSZSA-N 1 3 262.388 3.119 20 0 CGADHO CCC[C@@H](C)[N@H+](C)Cc1cc2c(s1)CCNC2 ZINC000687953908 799741121 /nfs/dbraw/zinc/74/11/21/799741121.db2.gz NQVKBOCOZBUEBO-LLVKDONJSA-N 1 3 252.427 3.014 20 0 CGADHO CCC[C@@H](C)[N@@H+](C)Cc1cc2c(s1)CCNC2 ZINC000687953908 799741124 /nfs/dbraw/zinc/74/11/24/799741124.db2.gz NQVKBOCOZBUEBO-LLVKDONJSA-N 1 3 252.427 3.014 20 0 CGADHO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962831 799742922 /nfs/dbraw/zinc/74/29/22/799742922.db2.gz PEMWZTTVNHIMPP-AWEZNQCLSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962831 799742926 /nfs/dbraw/zinc/74/29/26/799742926.db2.gz PEMWZTTVNHIMPP-AWEZNQCLSA-N 1 3 264.438 3.014 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC001255940958 806790244 /nfs/dbraw/zinc/79/02/44/806790244.db2.gz JWJYQDFRBRUOJS-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO C[C@H]1CCCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000705634872 799952631 /nfs/dbraw/zinc/95/26/31/799952631.db2.gz XWSKQSIDEKULQA-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H]1CCCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000705634872 799952637 /nfs/dbraw/zinc/95/26/37/799952637.db2.gz XWSKQSIDEKULQA-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC001255949843 806793745 /nfs/dbraw/zinc/79/37/45/806793745.db2.gz BQUVXTMQQYBDFN-INIZCTEOSA-N 1 3 274.452 3.428 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC001255951297 806795135 /nfs/dbraw/zinc/79/51/35/806795135.db2.gz PQMFETQBCSVWNL-LSDHHAIUSA-N 1 3 278.440 3.033 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709871993 800022183 /nfs/dbraw/zinc/02/21/83/800022183.db2.gz VVCNFWYUUTUODA-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709871993 800022193 /nfs/dbraw/zinc/02/21/93/800022193.db2.gz VVCNFWYUUTUODA-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCC1(c2ncccc2C)CC1 ZINC001255953624 806797204 /nfs/dbraw/zinc/79/72/04/806797204.db2.gz UUVSLZKIVCLZBC-INIZCTEOSA-N 1 3 289.467 3.132 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(CC2CC2)CCOCC1 ZINC001255954764 806798281 /nfs/dbraw/zinc/79/82/81/806798281.db2.gz ZPDCOCUZVHKEBZ-MRXNPFEDSA-N 1 3 296.499 3.293 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000716056230 800162687 /nfs/dbraw/zinc/16/26/87/800162687.db2.gz AALJXPWVNJDJCH-OBBITBBYSA-N 1 3 288.460 3.395 20 0 CGADHO Clc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000716306677 800167015 /nfs/dbraw/zinc/16/70/15/800167015.db2.gz ANWCQHMIVAFRIH-FUNVUKJBSA-N 1 3 299.245 3.409 20 0 CGADHO C[C@H](F)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716654746 800177517 /nfs/dbraw/zinc/17/75/17/800177517.db2.gz KTRMPGVXUGCKJO-DKIMLUQUSA-N 1 3 290.426 3.377 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCCCC2)C[C@H]1C(F)(F)F ZINC000720888860 800270581 /nfs/dbraw/zinc/27/05/81/800270581.db2.gz NNSWCICKAZHSMO-UONOGXRCSA-N 1 3 292.389 3.416 20 0 CGADHO CC1(C)CCC[C@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721525987 800292052 /nfs/dbraw/zinc/29/20/52/800292052.db2.gz TXMJICJAWQJPSX-DLBZAZTESA-N 1 3 272.436 3.341 20 0 CGADHO [NH3+]CC[C@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000723695974 800337942 /nfs/dbraw/zinc/33/79/42/800337942.db2.gz RBIQBVHKQFNDNZ-LBPRGKRZSA-N 1 3 289.810 3.059 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925776905 800633969 /nfs/dbraw/zinc/63/39/69/800633969.db2.gz AEBVAPAXWIMZSG-KGLIPLIRSA-N 1 3 282.378 3.199 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCOc2cccc(F)c2)CC1 ZINC001256562624 806916482 /nfs/dbraw/zinc/91/64/82/806916482.db2.gz YLRFLSHWZRPOJI-UHFFFAOYSA-N 1 3 294.414 3.057 20 0 CGADHO CCN(C)C1CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172382445 808274993 /nfs/dbraw/zinc/27/49/93/808274993.db2.gz LGKAJHCHGBBQJS-IJEWVQPXSA-N 1 3 252.446 3.227 20 0 CGADHO Cc1ccc2ccccc2c1CN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205074686 812848432 /nfs/dbraw/zinc/84/84/32/812848432.db2.gz AEZFLPIMKWVWHP-HOCLYGCPSA-N 1 3 268.404 3.460 20 0 CGADHO CCN(CC)Cc1ccc(-c2ccncc2C[NH3+])cc1F ZINC001245561847 803816095 /nfs/dbraw/zinc/81/60/95/803816095.db2.gz XPDZWNXHCHCLTH-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)CCN1 ZINC001246066558 804106787 /nfs/dbraw/zinc/10/67/87/804106787.db2.gz RQUBCYMDKHPIMW-FPCVCCKLSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC001246095382 804126664 /nfs/dbraw/zinc/12/66/64/804126664.db2.gz PWFWIWREYMAYPE-CHWSQXEVSA-N 1 3 298.883 3.410 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246099488 804131415 /nfs/dbraw/zinc/13/14/15/804131415.db2.gz HWCLKFLBUCWALK-LLVKDONJSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N[C@]1(C)CCC[NH2+]CC1 ZINC001246102855 804135108 /nfs/dbraw/zinc/13/51/08/804135108.db2.gz TXYZHGJQIKQRPY-XJKSGUPXSA-N 1 3 296.455 3.428 20 0 CGADHO CC(C)C1CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246101711 804135501 /nfs/dbraw/zinc/13/55/01/804135501.db2.gz ASIQAESRRNIMRU-LMPOIIKSSA-N 1 3 252.446 3.179 20 0 CGADHO CCCCCC1CCC([NH2+]C[C@]2(O)CCCCNC2)CC1 ZINC001246112199 804143364 /nfs/dbraw/zinc/14/33/64/804143364.db2.gz PYQZKZYHMYRUMR-ABHNRTSZSA-N 1 3 296.499 3.220 20 0 CGADHO CCCC[C@H](CCC)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246111809 804143682 /nfs/dbraw/zinc/14/36/82/804143682.db2.gz JSKCAHPSJCVICW-LSDHHAIUSA-N 1 3 258.425 3.417 20 0 CGADHO CC[C@H](C[C@@H](C)CC)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246117016 804148496 /nfs/dbraw/zinc/14/84/96/804148496.db2.gz YUGNVCMVRUXGKJ-RRFJBIMHSA-N 1 3 258.425 3.273 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC[C@H]1CCCC[NH2+]C1 ZINC001246115546 804148542 /nfs/dbraw/zinc/14/85/42/804148542.db2.gz YSBBQCXBUCBPDH-STQMWFEESA-N 1 3 298.833 3.389 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)N[C@H]1CCC[NH2+]C1 ZINC001246121003 804151164 /nfs/dbraw/zinc/15/11/64/804151164.db2.gz VDOFYEBUCFYFAV-KGLIPLIRSA-N 1 3 296.480 3.412 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@]1(F)CCNC1 ZINC001246138733 804162187 /nfs/dbraw/zinc/16/21/87/804162187.db2.gz BTUGIIDEWXIIGS-IRXDYDNUSA-N 1 3 278.415 3.079 20 0 CGADHO CC(C)CC(CC(C)C)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001246138284 804162460 /nfs/dbraw/zinc/16/24/60/804162460.db2.gz YBIRWPDKPSPXGD-JKSUJKDBSA-N 1 3 252.446 3.321 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@@H](C(C)C)C2)cc1C ZINC001246162962 804179199 /nfs/dbraw/zinc/17/91/99/804179199.db2.gz STYKAEROKBPXNV-QZTJIDSGSA-N 1 3 274.452 3.212 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCCc2ccc(Cl)cc2)CCN1 ZINC001246175931 804191053 /nfs/dbraw/zinc/19/10/53/804191053.db2.gz JGTWZBSXCSRKEX-OAHLLOKOSA-N 1 3 280.843 3.393 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCSCc2ccco2)CC[NH2+]1 ZINC001246177505 804191167 /nfs/dbraw/zinc/19/11/67/804191167.db2.gz JGESHZMNSBIADD-CABCVRRESA-N 1 3 296.480 3.413 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246227391 804220720 /nfs/dbraw/zinc/22/07/20/804220720.db2.gz COMLLKBGJDFWGS-LSDHHAIUSA-N 1 3 252.446 3.467 20 0 CGADHO CCN(Cc1ccc(Cl)c(OC)c1)C1CC[NH+](C)CC1 ZINC001139621739 804234655 /nfs/dbraw/zinc/23/46/55/804234655.db2.gz PCWSCMGAJZKNMJ-UHFFFAOYSA-N 1 3 296.842 3.265 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)CCN1 ZINC001246254293 804239171 /nfs/dbraw/zinc/23/91/71/804239171.db2.gz GNUQZFXTXUICDN-ARKGTOAJSA-N 1 3 250.430 3.075 20 0 CGADHO CCC[NH2+]CCNC1CCC(OCc2ccccc2)CC1 ZINC001246269868 804248536 /nfs/dbraw/zinc/24/85/36/804248536.db2.gz MJNDRNZIRVPKJF-UHFFFAOYSA-N 1 3 290.451 3.104 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CN1 ZINC001246287803 804261201 /nfs/dbraw/zinc/26/12/01/804261201.db2.gz LGXLTCPTAXPXOJ-CSMYWGQOSA-N 1 3 276.399 3.397 20 0 CGADHO C[C@H](CCN)[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246299644 804266422 /nfs/dbraw/zinc/26/64/22/804266422.db2.gz JAKCHKSTNCSJIC-NWDGAFQWSA-N 1 3 299.256 3.097 20 0 CGADHO Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](N)CC(C)C)cc1 ZINC001246298581 804266943 /nfs/dbraw/zinc/26/69/43/804266943.db2.gz BILFIUONEBRGOG-HUUCEWRRSA-N 1 3 280.481 3.439 20 0 CGADHO CC(C)(Cc1ccccc1F)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246308068 804271779 /nfs/dbraw/zinc/27/17/79/804271779.db2.gz IRLOBTFDRCRBDX-YIONKMFJSA-N 1 3 276.399 3.019 20 0 CGADHO CC[C@H]([NH3+])CCN[C@H](C)CSc1ccc(F)cc1 ZINC001246307786 804271812 /nfs/dbraw/zinc/27/18/12/804271812.db2.gz OONUHINYAKHKTG-YPMHNXCESA-N 1 3 270.417 3.023 20 0 CGADHO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246316199 804277556 /nfs/dbraw/zinc/27/75/56/804277556.db2.gz PZWHHMVYZMQPGT-AYDFFVQHSA-N 1 3 252.446 3.464 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001246333266 804287377 /nfs/dbraw/zinc/28/73/77/804287377.db2.gz KLBGULINEDPDNI-OAADTKLRSA-N 1 3 252.446 3.320 20 0 CGADHO CC1(C)CC[NH2+]C[C@@H]1N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332600 804288312 /nfs/dbraw/zinc/28/83/12/804288312.db2.gz QJQIZUGBBQAKNY-IKGGRYGDSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)C[C@@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246344539 804296395 /nfs/dbraw/zinc/29/63/95/804296395.db2.gz BOMLZYCZUIPAPB-ZDUSSCGKSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H](Cc1cccc(Br)c1)[NH2+]C(C)(C)CCN ZINC001246362015 804305014 /nfs/dbraw/zinc/30/50/14/804305014.db2.gz KHKQGQMJMJCYFP-NSHDSACASA-N 1 3 299.256 3.097 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC001246375733 804310028 /nfs/dbraw/zinc/31/00/28/804310028.db2.gz KGPMXKVRNHFISN-RHSMWYFYSA-N 1 3 274.452 3.158 20 0 CGADHO CCC[C@@H](C)CC[C@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246393125 804319378 /nfs/dbraw/zinc/31/93/78/804319378.db2.gz RELUELZIBSKMER-CVEARBPZSA-N 1 3 284.488 3.340 20 0 CGADHO COCCC1([NH2+][C@H](C)C[C@@H](C)CC(C)C)CCNCC1 ZINC001246396069 804320483 /nfs/dbraw/zinc/32/04/83/804320483.db2.gz XZJFHNCBSRVCEC-JKSUJKDBSA-N 1 3 284.488 3.196 20 0 CGADHO CCC[C@H](CC)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001246417189 804326062 /nfs/dbraw/zinc/32/60/62/804326062.db2.gz VLZUFWGBOWTZBZ-INIZCTEOSA-N 1 3 290.451 3.442 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Cc2ccccc2F)CCN1 ZINC001246431054 804328754 /nfs/dbraw/zinc/32/87/54/804328754.db2.gz IWIAYZZVBUAOTH-HIFRSBDPSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246431065 804329405 /nfs/dbraw/zinc/32/94/05/804329405.db2.gz IXIVRJYPWXYCFJ-RHSMWYFYSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444594 804333390 /nfs/dbraw/zinc/33/33/90/804333390.db2.gz AILZTZZOKAOPGY-GDBMZVCRSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H](C)N1 ZINC001246442661 804334261 /nfs/dbraw/zinc/33/42/61/804334261.db2.gz KJYOLTMENJHNAG-VDXKCRADSA-N 1 3 264.457 3.176 20 0 CGADHO C(C1CCC1)C1([NH2+]C2CCCCC2)CCNCC1 ZINC001246446618 804336588 /nfs/dbraw/zinc/33/65/88/804336588.db2.gz NQPYSNKZWIOEMN-UHFFFAOYSA-N 1 3 250.430 3.221 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246455113 804337804 /nfs/dbraw/zinc/33/78/04/804337804.db2.gz GVKHERRPUIHTTQ-IRXDYDNUSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@@H]1CCC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246458752 804339692 /nfs/dbraw/zinc/33/96/92/804339692.db2.gz BQOGZRMYVWZXJN-FVQBIDKESA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@@]1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246459871 804339810 /nfs/dbraw/zinc/33/98/10/804339810.db2.gz HQKYWPHCJCJOKT-AVGNSLFASA-N 1 3 278.362 3.229 20 0 CGADHO CCCCCC1CCC(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)CC1 ZINC001246472603 804348774 /nfs/dbraw/zinc/34/87/74/804348774.db2.gz HCHKSIYKAUBQCC-CAGXLSFWSA-N 1 3 276.468 3.489 20 0 CGADHO c1ccc(C2CCC([NH2+][C@H]3CCNCC34CC4)CC2)cc1 ZINC001246473592 804350321 /nfs/dbraw/zinc/35/03/21/804350321.db2.gz LWVCLVATIIGQQB-ABHNRTSZSA-N 1 3 284.447 3.445 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478037 804354775 /nfs/dbraw/zinc/35/47/75/804354775.db2.gz MOOJUTFIIXMYGM-DFBGVHRSSA-N 1 3 266.816 3.131 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]C2[C@@H](C)CC[C@@H]2C)CCN1 ZINC001246492108 804358486 /nfs/dbraw/zinc/35/84/86/804358486.db2.gz ABAPPSJSAKSQDC-BYNSBNAKSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CCN1 ZINC001246516429 804370689 /nfs/dbraw/zinc/37/06/89/804370689.db2.gz SLYFHGXAVZHFKW-SJLPKXTDSA-N 1 3 272.436 3.054 20 0 CGADHO CCCC1CCC([NH2+][C@H](C2CCC2)C2CNC2)CC1 ZINC001246518903 804371935 /nfs/dbraw/zinc/37/19/35/804371935.db2.gz QIXRQJLHTQSOGM-QWFMPGPPSA-N 1 3 264.457 3.323 20 0 CGADHO CCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246523150 804378601 /nfs/dbraw/zinc/37/86/01/804378601.db2.gz WUHFZWYQVLKVKU-SJORKVTESA-N 1 3 260.425 3.285 20 0 CGADHO [NH3+][C@@H]1CCCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543575 804390566 /nfs/dbraw/zinc/39/05/66/804390566.db2.gz ULNIROSZRXOGOQ-CVEARBPZSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@@H]1CCN([C@@H]2CCc3cccc(Cl)c3C2)C[C@@H]1C[NH3+] ZINC001246547042 804394751 /nfs/dbraw/zinc/39/47/51/804394751.db2.gz AJUQTNMYSJDNQV-VHDGCEQUSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C[C@H]1CN ZINC001246553794 804404031 /nfs/dbraw/zinc/40/40/31/804404031.db2.gz UUAWKRSODNVYIZ-VMGRFDJRSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C[C@H]1CN ZINC001246553794 804404034 /nfs/dbraw/zinc/40/40/34/804404034.db2.gz UUAWKRSODNVYIZ-VMGRFDJRSA-N 1 3 292.854 3.114 20 0 CGADHO [NH3+]C[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)CCC1(F)F ZINC001246557089 804405837 /nfs/dbraw/zinc/40/58/37/804405837.db2.gz LAIKUALGHPVFTK-PMPSAXMXSA-N 1 3 294.389 3.239 20 0 CGADHO CCCCCC[C@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557512 804406506 /nfs/dbraw/zinc/40/65/06/804406506.db2.gz LXEDHWJOXLHDAE-STQMWFEESA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@]12CCCNC2 ZINC001246598860 804438877 /nfs/dbraw/zinc/43/88/77/804438877.db2.gz BJLJQMRQRQYZQA-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]12CCCNC2 ZINC001246598860 804438878 /nfs/dbraw/zinc/43/88/78/804438878.db2.gz BJLJQMRQRQYZQA-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246602086 804439963 /nfs/dbraw/zinc/43/99/63/804439963.db2.gz IYOAKHDLFZFADL-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]23CCCNC3)CC(C)(C)C1 ZINC001246602086 804439965 /nfs/dbraw/zinc/43/99/65/804439965.db2.gz IYOAKHDLFZFADL-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611147 804445528 /nfs/dbraw/zinc/44/55/28/804445528.db2.gz SPUOHWXUATYNJH-OFLPRAFFSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C1CCC([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611147 804445532 /nfs/dbraw/zinc/44/55/32/804445532.db2.gz SPUOHWXUATYNJH-OFLPRAFFSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C1CCC(N2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246611147 804445536 /nfs/dbraw/zinc/44/55/36/804445536.db2.gz SPUOHWXUATYNJH-OFLPRAFFSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246612397 804447125 /nfs/dbraw/zinc/44/71/25/804447125.db2.gz GTCUXSOLLAAFEA-YCPHGPKFSA-N 1 3 250.430 3.029 20 0 CGADHO CC[C@@H](Cc1ccccc1)N1CCC[C@]12CCC[NH2+]C2 ZINC001246612806 804447628 /nfs/dbraw/zinc/44/76/28/804447628.db2.gz XETRKIAZVWMOBQ-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246612806 804447631 /nfs/dbraw/zinc/44/76/31/804447631.db2.gz XETRKIAZVWMOBQ-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246612806 804447634 /nfs/dbraw/zinc/44/76/34/804447634.db2.gz XETRKIAZVWMOBQ-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO CC1(C)CCC[C@@H](N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC001246617716 804451344 /nfs/dbraw/zinc/45/13/44/804451344.db2.gz DSKKEMWBBGBFIJ-ZBFHGGJFSA-N 1 3 250.430 3.173 20 0 CGADHO CCc1ccc(C[C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246630986 804460607 /nfs/dbraw/zinc/46/06/07/804460607.db2.gz QKOYMHQDXZYHIT-VQIMIIECSA-N 1 3 286.463 3.256 20 0 CGADHO c1ccc(CC2CCC(N3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246640389 804467561 /nfs/dbraw/zinc/46/75/61/804467561.db2.gz UBSDMHUJPHYLTP-CSODTCANSA-N 1 3 284.447 3.224 20 0 CGADHO [NH3+]CC12CC(C1)CN2[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246644357 804472268 /nfs/dbraw/zinc/47/22/68/804472268.db2.gz GTDXPGSLFUIEOP-MKFDVMFOSA-N 1 3 270.420 3.136 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246644093 804472467 /nfs/dbraw/zinc/47/24/67/804472467.db2.gz VKKIDUKXVWJOGL-KGLIPLIRSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC23CCNCC3)CC(C)(C)C1 ZINC001246644093 804472470 /nfs/dbraw/zinc/47/24/70/804472470.db2.gz VKKIDUKXVWJOGL-KGLIPLIRSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246652019 804478865 /nfs/dbraw/zinc/47/88/65/804478865.db2.gz NTNCVYKDRJVUDY-AZUAARDMSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@]13CCCNC3)C2 ZINC001246652019 804478866 /nfs/dbraw/zinc/47/88/66/804478866.db2.gz NTNCVYKDRJVUDY-AZUAARDMSA-N 1 3 298.474 3.460 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654168 804480168 /nfs/dbraw/zinc/48/01/68/804480168.db2.gz VHMKBPJEDFERLZ-VSZNYVQBSA-N 1 3 270.420 3.007 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656167 804480589 /nfs/dbraw/zinc/48/05/89/804480589.db2.gz MPOQDXQVBHMSSM-XUXIUFHCSA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656167 804480592 /nfs/dbraw/zinc/48/05/92/804480592.db2.gz MPOQDXQVBHMSSM-XUXIUFHCSA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656167 804480597 /nfs/dbraw/zinc/48/05/97/804480597.db2.gz MPOQDXQVBHMSSM-XUXIUFHCSA-N 1 3 292.389 3.285 20 0 CGADHO C[N@H+](CCCN)C1CCC(Cc2ccccc2)CC1 ZINC001246678469 804493003 /nfs/dbraw/zinc/49/30/03/804493003.db2.gz FIILZMZUXNMHFS-UHFFFAOYSA-N 1 3 260.425 3.069 20 0 CGADHO C[N@@H+](CCCN)C1CCC(Cc2ccccc2)CC1 ZINC001246678469 804493008 /nfs/dbraw/zinc/49/30/08/804493008.db2.gz FIILZMZUXNMHFS-UHFFFAOYSA-N 1 3 260.425 3.069 20 0 CGADHO CC1(C)C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246694549 804498926 /nfs/dbraw/zinc/49/89/26/804498926.db2.gz WIZHDGCHBALOKE-KRWDZBQOSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783586 804509610 /nfs/dbraw/zinc/50/96/10/804509610.db2.gz PIJZFGRRKWDACY-WRECPOHLSA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783586 804509614 /nfs/dbraw/zinc/50/96/14/804509614.db2.gz PIJZFGRRKWDACY-WRECPOHLSA-N 1 3 276.468 3.418 20 0 CGADHO COc1ccccc1[C@H]1CCCN1C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246791063 804514060 /nfs/dbraw/zinc/51/40/60/804514060.db2.gz JEELNKAYQWBSFF-CKEIUWERSA-N 1 3 288.435 3.361 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC001246810083 804527002 /nfs/dbraw/zinc/52/70/02/804527002.db2.gz MHPNBSLIWIREIJ-BARDWOONSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC001246810083 804527007 /nfs/dbraw/zinc/52/70/07/804527007.db2.gz MHPNBSLIWIREIJ-BARDWOONSA-N 1 3 252.446 3.274 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CC[N@@H+](C3CCNCC3)C2)cc1 ZINC001246828597 804538376 /nfs/dbraw/zinc/53/83/76/804538376.db2.gz CMRUHLBKUCMDHT-ZDUSSCGKSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CC[N@H+](C3CCNCC3)C2)cc1 ZINC001246828597 804538381 /nfs/dbraw/zinc/53/83/81/804538381.db2.gz CMRUHLBKUCMDHT-ZDUSSCGKSA-N 1 3 298.352 3.247 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CCN(C3CC[NH2+]CC3)C2)cc1 ZINC001246828597 804538386 /nfs/dbraw/zinc/53/83/86/804538386.db2.gz CMRUHLBKUCMDHT-ZDUSSCGKSA-N 1 3 298.352 3.247 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844421 804551721 /nfs/dbraw/zinc/55/17/21/804551721.db2.gz JGNYNFUCAGHIRH-BPQIPLTHSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844421 804551725 /nfs/dbraw/zinc/55/17/25/804551725.db2.gz JGNYNFUCAGHIRH-BPQIPLTHSA-N 1 3 272.436 3.397 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001246844209 804552418 /nfs/dbraw/zinc/55/24/18/804552418.db2.gz HHTGJGGCMMJEGF-UONOGXRCSA-N 1 3 278.827 3.011 20 0 CGADHO Cc1ccc(SC[C@H](C)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001246845800 804554258 /nfs/dbraw/zinc/55/42/58/804554258.db2.gz LZOFKRZPFDVTOB-ARFHVFGLSA-N 1 3 290.476 3.017 20 0 CGADHO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246847336 804555750 /nfs/dbraw/zinc/55/57/50/804555750.db2.gz TTZUCTXSVADMDL-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246847336 804555755 /nfs/dbraw/zinc/55/57/55/804555755.db2.gz TTZUCTXSVADMDL-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246874023 804572821 /nfs/dbraw/zinc/57/28/21/804572821.db2.gz HWPODQMIVVIHCZ-LSDHHAIUSA-N 1 3 290.476 3.384 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895896 804585346 /nfs/dbraw/zinc/58/53/46/804585346.db2.gz YNXCIEGKZCWDFC-ZBFHGGJFSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895896 804585350 /nfs/dbraw/zinc/58/53/50/804585350.db2.gz YNXCIEGKZCWDFC-ZBFHGGJFSA-N 1 3 260.425 3.080 20 0 CGADHO CSCC[C@@H](C)[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001246915311 804596973 /nfs/dbraw/zinc/59/69/73/804596973.db2.gz MQIOYYBIUGFHKD-OAHLLOKOSA-N 1 3 292.492 3.382 20 0 CGADHO CSCC[C@@H](C)[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001246915311 804596979 /nfs/dbraw/zinc/59/69/79/804596979.db2.gz MQIOYYBIUGFHKD-OAHLLOKOSA-N 1 3 292.492 3.382 20 0 CGADHO CSCC[C@@H](C)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246915311 804596984 /nfs/dbraw/zinc/59/69/84/804596984.db2.gz MQIOYYBIUGFHKD-OAHLLOKOSA-N 1 3 292.492 3.382 20 0 CGADHO COCC[N@H+](C1CCC2(CCCC2)CC1)[C@H]1CCCNC1 ZINC001246925922 804604188 /nfs/dbraw/zinc/60/41/88/804604188.db2.gz AXGYOKGKVDWLKH-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO COCC[N@@H+](C1CCC2(CCCC2)CC1)[C@H]1CCCNC1 ZINC001246925922 804604192 /nfs/dbraw/zinc/60/41/92/804604192.db2.gz AXGYOKGKVDWLKH-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO CC[N@H+](CCc1ccc(OC)cc1)[C@H]1CCNC(C)(C)C1 ZINC001246925334 804604224 /nfs/dbraw/zinc/60/42/24/804604224.db2.gz WXJLOPVGBYOEMU-INIZCTEOSA-N 1 3 290.451 3.090 20 0 CGADHO CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CCNC(C)(C)C1 ZINC001246925334 804604227 /nfs/dbraw/zinc/60/42/27/804604227.db2.gz WXJLOPVGBYOEMU-INIZCTEOSA-N 1 3 290.451 3.090 20 0 CGADHO CCN(CCc1ccc(OC)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246925334 804604231 /nfs/dbraw/zinc/60/42/31/804604231.db2.gz WXJLOPVGBYOEMU-INIZCTEOSA-N 1 3 290.451 3.090 20 0 CGADHO CCCCCC[C@H](CC)[N@H+](CCOC)[C@H]1CCCNC1 ZINC001246927646 804605227 /nfs/dbraw/zinc/60/52/27/804605227.db2.gz HTGKLWURSSDHLS-IRXDYDNUSA-N 1 3 284.488 3.436 20 0 CGADHO CCCCCC[C@H](CC)[N@@H+](CCOC)[C@H]1CCCNC1 ZINC001246927646 804605232 /nfs/dbraw/zinc/60/52/32/804605232.db2.gz HTGKLWURSSDHLS-IRXDYDNUSA-N 1 3 284.488 3.436 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(C)cc1 ZINC001246935295 804607733 /nfs/dbraw/zinc/60/77/33/804607733.db2.gz GPBNWLPFPCXMLT-HOTGVXAUSA-N 1 3 292.492 3.407 20 0 CGADHO CC(C)[N@H+]([C@H]1CCNC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969261 804620593 /nfs/dbraw/zinc/62/05/93/804620593.db2.gz ULJYZQSPHRKYQQ-QLFBSQMISA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCNC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969261 804620601 /nfs/dbraw/zinc/62/06/01/804620601.db2.gz ULJYZQSPHRKYQQ-QLFBSQMISA-N 1 3 252.446 3.274 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@H+](C[C@@H]1CCCNC1)C1CC1)CC2 ZINC001246975064 804624662 /nfs/dbraw/zinc/62/46/62/804624662.db2.gz RZBMJXPNKDRFQV-OXQOHEQNSA-N 1 3 298.474 3.316 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@@H+](C[C@@H]1CCCNC1)C1CC1)CC2 ZINC001246975064 804624666 /nfs/dbraw/zinc/62/46/66/804624666.db2.gz RZBMJXPNKDRFQV-OXQOHEQNSA-N 1 3 298.474 3.316 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004338 804635249 /nfs/dbraw/zinc/63/52/49/804635249.db2.gz OYICGPJAGBBZQH-IRXDYDNUSA-N 1 3 290.426 3.363 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004338 804635253 /nfs/dbraw/zinc/63/52/53/804635253.db2.gz OYICGPJAGBBZQH-IRXDYDNUSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1nc2ccc(NCC[C@H]3CCC[N@@H+](C)C3)cc2[nH]1 ZINC001165279571 806986490 /nfs/dbraw/zinc/98/64/90/806986490.db2.gz WDZPPVSLXZFRLV-CYBMUJFWSA-N 1 3 272.396 3.015 20 0 CGADHO Cc1nc2ccc(NCC[C@H]3CCC[N@H+](C)C3)cc2[nH]1 ZINC001165279571 806986493 /nfs/dbraw/zinc/98/64/93/806986493.db2.gz WDZPPVSLXZFRLV-CYBMUJFWSA-N 1 3 272.396 3.015 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(C(F)F)cc1)CC2 ZINC001143252746 804828679 /nfs/dbraw/zinc/82/86/79/804828679.db2.gz FWTNXKMEIPBDFA-UHFFFAOYSA-N 1 3 280.362 3.152 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1cccc2nc(C)ccc12 ZINC001248573199 804955986 /nfs/dbraw/zinc/95/59/86/804955986.db2.gz HGSPSRLNOFJNMK-UHFFFAOYSA-N 1 3 285.435 3.317 20 0 CGADHO CCC(CC)N1CCC([NH2+]C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001257084018 807047520 /nfs/dbraw/zinc/04/75/20/807047520.db2.gz LRFFHHWHEVCXQW-ZIAGYGMSSA-N 1 3 282.472 3.185 20 0 CGADHO Cc1nc2ccc(NCC3CC[NH+](C(C)C)CC3)cc2[nH]1 ZINC001166615225 807068868 /nfs/dbraw/zinc/06/88/68/807068868.db2.gz AXIVFXLDSMXXBS-UHFFFAOYSA-N 1 3 286.423 3.404 20 0 CGADHO CCCC[C@@H](CC)[NH+]1CCN(c2ccncc2)CC1 ZINC001257419475 807147275 /nfs/dbraw/zinc/14/72/75/807147275.db2.gz XKIDZGCPIDYLTJ-OAHLLOKOSA-N 1 3 261.413 3.172 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982049 807289382 /nfs/dbraw/zinc/28/93/82/807289382.db2.gz UUCHBXMTEGVBIN-BLTIUCMSSA-N 1 3 276.468 3.416 20 0 CGADHO NC1CC([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168335434 807387381 /nfs/dbraw/zinc/38/73/81/807387381.db2.gz KTDPIVIBIBLTBL-UHFFFAOYSA-N 1 3 278.827 3.446 20 0 CGADHO Cc1ccc(F)cc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC001168353470 807389738 /nfs/dbraw/zinc/38/97/38/807389738.db2.gz OWEOULMXYWFDQI-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC001168359919 807392719 /nfs/dbraw/zinc/39/27/19/807392719.db2.gz HWSLCDMVYCODOI-GOSISDBHSA-N 1 3 288.410 3.277 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC001258454309 807460798 /nfs/dbraw/zinc/46/07/98/807460798.db2.gz JQSKQVSMUHHOFP-ZDUSSCGKSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001169078791 807567429 /nfs/dbraw/zinc/56/74/29/807567429.db2.gz GURSNRFCZPMMNM-BJWYYQGGSA-N 1 3 258.409 3.018 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC001169078816 807568244 /nfs/dbraw/zinc/56/82/44/807568244.db2.gz HMVMNNIRFURPEH-QKDCVEJESA-N 1 3 298.352 3.420 20 0 CGADHO CCCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169099121 807576449 /nfs/dbraw/zinc/57/64/49/807576449.db2.gz NTUBXTJEQAXBLC-BCDXTJNWSA-N 1 3 272.436 3.354 20 0 CGADHO Cc1ccc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)c2n1 ZINC001169123054 807583729 /nfs/dbraw/zinc/58/37/29/807583729.db2.gz IIFRYXQGPXRCIC-BCDXTJNWSA-N 1 3 295.430 3.258 20 0 CGADHO Cc1cccc(CCN(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169143360 807591312 /nfs/dbraw/zinc/59/13/12/807591312.db2.gz FKJKXTURGZOHHM-BCDXTJNWSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1cccc(CCN(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169143360 807591315 /nfs/dbraw/zinc/59/13/15/807591315.db2.gz FKJKXTURGZOHHM-BCDXTJNWSA-N 1 3 272.436 3.095 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3cc(F)ccc32)CC1 ZINC001169237909 807611247 /nfs/dbraw/zinc/61/12/47/807611247.db2.gz CCOUBSJZSWKPRQ-KRWDZBQOSA-N 1 3 276.399 3.277 20 0 CGADHO CC[NH+]1CCC(N2CCc3ccccc3[C@@H]2C)CC1 ZINC001169246683 807614055 /nfs/dbraw/zinc/61/40/55/807614055.db2.gz UUYBGJUXDDAPIH-AWEZNQCLSA-N 1 3 258.409 3.090 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789711 807614519 /nfs/dbraw/zinc/61/45/19/807614519.db2.gz DFHYGASUYVKIAI-FZKCQIBNSA-N 1 3 252.446 3.085 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789711 807614521 /nfs/dbraw/zinc/61/45/21/807614521.db2.gz DFHYGASUYVKIAI-FZKCQIBNSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H]1CC[C@H](N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001170116362 807762522 /nfs/dbraw/zinc/76/25/22/807762522.db2.gz FFGLITKSVYGKRJ-BBRMVZONSA-N 1 3 276.399 3.264 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001170118041 807763733 /nfs/dbraw/zinc/76/37/33/807763733.db2.gz PESSRMQGVILQNH-RDJZCZTQSA-N 1 3 287.451 3.072 20 0 CGADHO C[NH+]1CCC2(CCCN2C/C=C\c2cccc(F)c2)CC1 ZINC001262110396 807825506 /nfs/dbraw/zinc/82/55/06/807825506.db2.gz BZIUNAAMPKVLOX-UTCJRWHESA-N 1 3 288.410 3.399 20 0 CGADHO Cc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C2 ZINC001171559480 808095499 /nfs/dbraw/zinc/09/54/99/808095499.db2.gz GNQKLSLGTSTIQZ-OKZBNKHCSA-N 1 3 286.463 3.315 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCCC(C)(C)CO)CC1(C)C ZINC001171618778 808105029 /nfs/dbraw/zinc/10/50/29/808105029.db2.gz BVUPWKUCWKEFKO-UHFFFAOYSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@]1(C)O ZINC001171632120 808109774 /nfs/dbraw/zinc/10/97/74/808109774.db2.gz VJWJPNNUZIRRBM-KSSFIOAISA-N 1 3 296.499 3.121 20 0 CGADHO C[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@]1(C)O ZINC001171632120 808109779 /nfs/dbraw/zinc/10/97/79/808109779.db2.gz VJWJPNNUZIRRBM-KSSFIOAISA-N 1 3 296.499 3.121 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)nc1 ZINC001172105379 808175926 /nfs/dbraw/zinc/17/59/26/808175926.db2.gz HXJZOPYEELMTDS-LVQVYYBASA-N 1 3 273.424 3.056 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccc(F)cc31)C2 ZINC001172106507 808176053 /nfs/dbraw/zinc/17/60/53/808176053.db2.gz PTKQLDJRQGMUCL-DFGXFYAUSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccc(F)cc31)C2 ZINC001172106507 808176055 /nfs/dbraw/zinc/17/60/55/808176055.db2.gz PTKQLDJRQGMUCL-DFGXFYAUSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3c1cccc3F)C2 ZINC001172106500 808176088 /nfs/dbraw/zinc/17/60/88/808176088.db2.gz PPSKXYBXLQOCCK-AHXJXLJNSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3c1cccc3F)C2 ZINC001172106500 808176091 /nfs/dbraw/zinc/17/60/91/808176091.db2.gz PPSKXYBXLQOCCK-AHXJXLJNSA-N 1 3 288.410 3.418 20 0 CGADHO CN(Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114323 808181684 /nfs/dbraw/zinc/18/16/84/808181684.db2.gz QIIFYUIAVHFRRN-FVQHAEBGSA-N 1 3 276.399 3.273 20 0 CGADHO CN(Cc1ccc(F)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114323 808181687 /nfs/dbraw/zinc/18/16/87/808181687.db2.gz QIIFYUIAVHFRRN-FVQHAEBGSA-N 1 3 276.399 3.273 20 0 CGADHO CN(Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123251 808185491 /nfs/dbraw/zinc/18/54/91/808185491.db2.gz YUZSCHQBGGMQQP-BTTYYORXSA-N 1 3 264.438 3.195 20 0 CGADHO CN(Cc1cccs1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123251 808185495 /nfs/dbraw/zinc/18/54/95/808185495.db2.gz YUZSCHQBGGMQQP-BTTYYORXSA-N 1 3 264.438 3.195 20 0 CGADHO COc1ccc2c(c1)CN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172126448 808185657 /nfs/dbraw/zinc/18/56/57/808185657.db2.gz VZJPLEIZWRZOJD-BJWYYQGGSA-N 1 3 286.419 3.026 20 0 CGADHO COc1ccc2c(c1)CN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172126448 808185660 /nfs/dbraw/zinc/18/56/60/808185660.db2.gz VZJPLEIZWRZOJD-BJWYYQGGSA-N 1 3 286.419 3.026 20 0 CGADHO CC(C)COCC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001172456940 808328199 /nfs/dbraw/zinc/32/81/99/808328199.db2.gz KAEGVSPTJGWUAE-MRXNPFEDSA-N 1 3 284.488 3.421 20 0 CGADHO CC(C)COCC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001172456940 808328208 /nfs/dbraw/zinc/32/82/08/808328208.db2.gz KAEGVSPTJGWUAE-MRXNPFEDSA-N 1 3 284.488 3.421 20 0 CGADHO CC(C)COCC[C@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172466436 808335666 /nfs/dbraw/zinc/33/56/66/808335666.db2.gz DYMMJLHTWLJPJV-HNNXBMFYSA-N 1 3 282.472 3.031 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173041473 808498454 /nfs/dbraw/zinc/49/84/54/808498454.db2.gz APLRGTUGYDQTGM-SJORKVTESA-N 1 3 294.483 3.188 20 0 CGADHO CC[NH+](CC)C1CCC([NH2+]Cc2ccc([O-])cc2F)CC1 ZINC001173107394 808512228 /nfs/dbraw/zinc/51/22/28/808512228.db2.gz QCZBFXZSILONQI-UHFFFAOYSA-N 1 3 294.414 3.274 20 0 CGADHO CC[NH+](CC)C1CCC(N2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001173110343 808513915 /nfs/dbraw/zinc/51/39/15/808513915.db2.gz RVEVRJIGFSSACZ-QDIHITRGSA-N 1 3 288.426 3.411 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@@H](C)CSCC)CC1 ZINC001173306954 808603202 /nfs/dbraw/zinc/60/32/02/808603202.db2.gz AGPZDNKPVWCXLE-AWEZNQCLSA-N 1 3 272.502 3.324 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@H](C)CSCC)CC1 ZINC001173306955 808603660 /nfs/dbraw/zinc/60/36/60/808603660.db2.gz AGPZDNKPVWCXLE-CQSZACIVSA-N 1 3 272.502 3.324 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4cc[nH]c43)(C1)CCC2 ZINC001275164543 808918561 /nfs/dbraw/zinc/91/85/61/808918561.db2.gz NHNINVOSQNXMQO-ZWKOTPCHSA-N 1 3 283.419 3.322 20 0 CGADHO Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001275308019 808927606 /nfs/dbraw/zinc/92/76/06/808927606.db2.gz KUWWNMPXLBQNHF-GOSISDBHSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001275308019 808927612 /nfs/dbraw/zinc/92/76/12/808927612.db2.gz KUWWNMPXLBQNHF-GOSISDBHSA-N 1 3 290.426 3.442 20 0 CGADHO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC001175399355 809391615 /nfs/dbraw/zinc/39/16/15/809391615.db2.gz KNMPGJUKZNUHKI-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3C)C2)c(C)c1 ZINC001175445101 809409552 /nfs/dbraw/zinc/40/95/52/809409552.db2.gz VNRUBGKGVPEWFA-WMZOPIPTSA-N 1 3 272.436 3.138 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCN3C)C2)c(C)c1 ZINC001175445101 809409557 /nfs/dbraw/zinc/40/95/57/809409557.db2.gz VNRUBGKGVPEWFA-WMZOPIPTSA-N 1 3 272.436 3.138 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001197931710 811465265 /nfs/dbraw/zinc/46/52/65/811465265.db2.gz ZETDWUULTLUTRE-LSDHHAIUSA-N 1 3 261.413 3.027 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001197931710 811465269 /nfs/dbraw/zinc/46/52/69/811465269.db2.gz ZETDWUULTLUTRE-LSDHHAIUSA-N 1 3 261.413 3.027 20 0 CGADHO CC(C)(C)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201440300 811847275 /nfs/dbraw/zinc/84/72/75/811847275.db2.gz HMZXSGZNBOTSEX-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)(C)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201440300 811847285 /nfs/dbraw/zinc/84/72/85/811847285.db2.gz HMZXSGZNBOTSEX-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC001201558203 811902821 /nfs/dbraw/zinc/90/28/21/811902821.db2.gz QXXOIMAXTGXHRO-OAGGEKHMSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626963 811924053 /nfs/dbraw/zinc/92/40/53/811924053.db2.gz QQDFQGSJWZVJJZ-RTBURBONSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201626963 811924054 /nfs/dbraw/zinc/92/40/54/811924054.db2.gz QQDFQGSJWZVJJZ-RTBURBONSA-N 1 3 286.463 3.486 20 0 CGADHO Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](C)CN(C)C)c(C)c1 ZINC001202588026 812128647 /nfs/dbraw/zinc/12/86/47/812128647.db2.gz YQOBWFZARLJSBU-ZPIQOJFGSA-N 1 3 274.452 3.412 20 0 CGADHO Cc1cc(N2CC[NH+](CC3CCC3)CC2)c2ccccc2n1 ZINC001202706849 812155838 /nfs/dbraw/zinc/15/58/38/812155838.db2.gz ZZCPVVWXCMXNAM-UHFFFAOYSA-N 1 3 295.430 3.465 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cc(C)ccc1C ZINC001203751327 812453436 /nfs/dbraw/zinc/45/34/36/812453436.db2.gz CLZWKLJCPRWQIQ-UHFFFAOYSA-N 1 3 262.441 3.467 20 0 CGADHO CCC[N@H+](Cc1cc2c(s1)CCNC2)[C@H](C)CC ZINC001204630629 812694801 /nfs/dbraw/zinc/69/48/01/812694801.db2.gz PVTSRGRWXSBQPH-GFCCVEGCSA-N 1 3 266.454 3.404 20 0 CGADHO CCC[N@@H+](Cc1cc2c(s1)CCNC2)[C@H](C)CC ZINC001204630629 812694804 /nfs/dbraw/zinc/69/48/04/812694804.db2.gz PVTSRGRWXSBQPH-GFCCVEGCSA-N 1 3 266.454 3.404 20 0 CGADHO NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925435 812777692 /nfs/dbraw/zinc/77/76/92/812777692.db2.gz SLYLVXQADFIMRK-KRWDZBQOSA-N 1 3 281.403 3.062 20 0 CGADHO NC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925435 812777697 /nfs/dbraw/zinc/77/76/97/812777697.db2.gz SLYLVXQADFIMRK-KRWDZBQOSA-N 1 3 281.403 3.062 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@H](C)CC(C)(C)C)C1 ZINC001205001913 812819319 /nfs/dbraw/zinc/81/93/19/812819319.db2.gz XLCJZIATGZTQBU-GJZGRUSLSA-N 1 3 254.462 3.380 20 0 CGADHO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205110143 812872021 /nfs/dbraw/zinc/87/20/21/812872021.db2.gz POJUOHZYLFIHEL-KRWDZBQOSA-N 1 3 281.403 3.062 20 0 CGADHO C[C@H](C[N@@H+]1C[C@H](C)[C@H](CN)C1)c1cccc2ccccc21 ZINC001205131157 812879670 /nfs/dbraw/zinc/87/96/70/812879670.db2.gz RISLUUNSNKLCLZ-ZMSDIMECSA-N 1 3 282.431 3.470 20 0 CGADHO C[C@H](C[N@H+]1C[C@H](C)[C@H](CN)C1)c1cccc2ccccc21 ZINC001205131157 812879679 /nfs/dbraw/zinc/87/96/79/812879679.db2.gz RISLUUNSNKLCLZ-ZMSDIMECSA-N 1 3 282.431 3.470 20 0 CGADHO C[C@H]1CC[N@H+](CC2(c3ccccc3)CCCC2)C[C@H]1CN ZINC001205295975 812936386 /nfs/dbraw/zinc/93/63/86/812936386.db2.gz DTBBXJFOSKOMBP-DLBZAZTESA-N 1 3 286.463 3.415 20 0 CGADHO C[C@H]1CC[N@@H+](CC2(c3ccccc3)CCCC2)C[C@H]1CN ZINC001205295975 812936389 /nfs/dbraw/zinc/93/63/89/812936389.db2.gz DTBBXJFOSKOMBP-DLBZAZTESA-N 1 3 286.463 3.415 20 0 CGADHO C[C@H]1CCN(Cc2ccc(-c3cccnc3)cc2)C[C@H]1C[NH3+] ZINC001205303358 812941114 /nfs/dbraw/zinc/94/11/14/812941114.db2.gz CVIHFSQDKONFNA-HNAYVOBHSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H]1CCNCC[N@@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331876 812958623 /nfs/dbraw/zinc/95/86/23/812958623.db2.gz LBLDITDZHKTQOL-HNNXBMFYSA-N 1 3 296.414 3.243 20 0 CGADHO C[C@H]1CCNCC[N@H+]1Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001205331876 812958628 /nfs/dbraw/zinc/95/86/28/812958628.db2.gz LBLDITDZHKTQOL-HNNXBMFYSA-N 1 3 296.414 3.243 20 0 CGADHO C[C@H]1CCNCC[N@@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331011 812959062 /nfs/dbraw/zinc/95/90/62/812959062.db2.gz CDMBCSKPZDNUKJ-HNNXBMFYSA-N 1 3 297.446 3.090 20 0 CGADHO C[C@H]1CCNCC[N@H+]1Cc1ccc2cc(N(C)C)ccc2c1 ZINC001205331011 812959067 /nfs/dbraw/zinc/95/90/67/812959067.db2.gz CDMBCSKPZDNUKJ-HNNXBMFYSA-N 1 3 297.446 3.090 20 0 CGADHO CC(C)COc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901761 813124193 /nfs/dbraw/zinc/12/41/93/813124193.db2.gz GAZRHDWGWMUIPS-RDJZCZTQSA-N 1 3 290.451 3.281 20 0 CGADHO CC[NH+]1CCC(CN2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC001205930809 813137800 /nfs/dbraw/zinc/13/78/00/813137800.db2.gz CEANUSQIFRLTAP-KRWDZBQOSA-N 1 3 287.451 3.196 20 0 CGADHO C[C@@H]1CN(Cc2cc(-c3ccccc3)on2)CCC[C@H]1C[NH3+] ZINC001205993175 813155355 /nfs/dbraw/zinc/15/53/55/813155355.db2.gz HKZDIPZHBLRTMT-ZBFHGGJFSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@H]1CN(Cc2cccc(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001205995807 813156689 /nfs/dbraw/zinc/15/66/89/813156689.db2.gz QPIXIJUKBQILNC-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173526 813226233 /nfs/dbraw/zinc/22/62/33/813226233.db2.gz HVDLGRGSUMIYJT-IAGOWNOFSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@H]1F ZINC001206173526 813226239 /nfs/dbraw/zinc/22/62/39/813226239.db2.gz HVDLGRGSUMIYJT-IAGOWNOFSA-N 1 3 299.393 3.010 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206184611 813230157 /nfs/dbraw/zinc/23/01/57/813230157.db2.gz JBLYVKKWLKHMGM-JKSUJKDBSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206184611 813230161 /nfs/dbraw/zinc/23/01/61/813230161.db2.gz JBLYVKKWLKHMGM-JKSUJKDBSA-N 1 3 294.414 3.125 20 0 CGADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1F ZINC001206184278 813230320 /nfs/dbraw/zinc/23/03/20/813230320.db2.gz IDVLZCIKNQVVRO-CVEARBPZSA-N 1 3 288.366 3.208 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@H]1F ZINC001206184278 813230323 /nfs/dbraw/zinc/23/03/23/813230323.db2.gz IDVLZCIKNQVVRO-CVEARBPZSA-N 1 3 288.366 3.208 20 0 CGADHO [NH3+][C@H]1CCN(Cc2ccc(C3CCC3)cc2)CC[C@H]1F ZINC001206196686 813237079 /nfs/dbraw/zinc/23/70/79/813237079.db2.gz CKHBGCBIOVNHJW-SJORKVTESA-N 1 3 276.399 3.215 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(F)cc2Cl)CC1 ZINC001206305105 813282370 /nfs/dbraw/zinc/28/23/70/813282370.db2.gz SZEAEYJIGSSPPG-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO NC[C@]1(F)CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370866 813306352 /nfs/dbraw/zinc/30/63/52/813306352.db2.gz PJRBLTARKLPBQE-GOSISDBHSA-N 1 3 286.394 3.444 20 0 CGADHO NC[C@]1(F)CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206370866 813306360 /nfs/dbraw/zinc/30/63/60/813306360.db2.gz PJRBLTARKLPBQE-GOSISDBHSA-N 1 3 286.394 3.444 20 0 CGADHO CCOc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206541965 813343690 /nfs/dbraw/zinc/34/36/90/813343690.db2.gz OJSUOWWBMAQJSK-KRWDZBQOSA-N 1 3 276.424 3.036 20 0 CGADHO CSc1ccccc1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206563665 813355796 /nfs/dbraw/zinc/35/57/96/813355796.db2.gz GQHYDSXHKNOGAK-MRXNPFEDSA-N 1 3 278.465 3.359 20 0 CGADHO CC(C)N(Cc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206583815 813364104 /nfs/dbraw/zinc/36/41/04/813364104.db2.gz WWLGMJMHQSSVJT-INIZCTEOSA-N 1 3 264.388 3.178 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606590 813373118 /nfs/dbraw/zinc/37/31/18/813373118.db2.gz QQXAYHPXTFHVMN-JKSUJKDBSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@H](CN)C1 ZINC001206606590 813373124 /nfs/dbraw/zinc/37/31/24/813373124.db2.gz QQXAYHPXTFHVMN-JKSUJKDBSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606587 813373360 /nfs/dbraw/zinc/37/33/60/813373360.db2.gz QQXAYHPXTFHVMN-CVEARBPZSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606587 813373368 /nfs/dbraw/zinc/37/33/68/813373368.db2.gz QQXAYHPXTFHVMN-CVEARBPZSA-N 1 3 252.446 3.430 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606343 813373486 /nfs/dbraw/zinc/37/34/86/813373486.db2.gz LJJARFOIODCCTJ-HZPDHXFCSA-N 1 3 284.488 3.015 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@H](CN)C1 ZINC001206606343 813373492 /nfs/dbraw/zinc/37/34/92/813373492.db2.gz LJJARFOIODCCTJ-HZPDHXFCSA-N 1 3 284.488 3.015 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001206761321 813426187 /nfs/dbraw/zinc/42/61/87/813426187.db2.gz WWLOZTGXIVBBQY-OAGGEKHMSA-N 1 3 284.488 3.013 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001206761321 813426190 /nfs/dbraw/zinc/42/61/90/813426190.db2.gz WWLOZTGXIVBBQY-OAGGEKHMSA-N 1 3 284.488 3.013 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001206761469 813428038 /nfs/dbraw/zinc/42/80/38/813428038.db2.gz ZAYDPCXHSVSRTQ-CVEARBPZSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761469 813428041 /nfs/dbraw/zinc/42/80/41/813428041.db2.gz ZAYDPCXHSVSRTQ-CVEARBPZSA-N 1 3 274.452 3.414 20 0 CGADHO Cc1cc(F)cc(C)c1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805227 813441413 /nfs/dbraw/zinc/44/14/13/813441413.db2.gz AZQFQCWSGANNHD-KBPBESRZSA-N 1 3 264.388 3.002 20 0 CGADHO CN(CCCc1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC001208773389 813839748 /nfs/dbraw/zinc/83/97/48/813839748.db2.gz QMVKJCDYTVAXIZ-UHFFFAOYSA-N 1 3 278.415 3.176 20 0 CGADHO CCCN(CCC[NH+](C)C)CCc1ccc(F)c(F)c1 ZINC001209245363 813982221 /nfs/dbraw/zinc/98/22/21/813982221.db2.gz HYHWSFKMILJWEF-UHFFFAOYSA-N 1 3 284.394 3.171 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222230849 816380152 /nfs/dbraw/zinc/38/01/52/816380152.db2.gz FEVBOAXXUXBAFP-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222230849 816380159 /nfs/dbraw/zinc/38/01/59/816380159.db2.gz FEVBOAXXUXBAFP-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO Clc1cccc(CN2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001222452102 816447725 /nfs/dbraw/zinc/44/77/25/816447725.db2.gz ANYFKBGOLCXXIN-UHFFFAOYSA-N 1 3 278.827 3.306 20 0 CGADHO Clc1ccc(CN2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001222452904 816448496 /nfs/dbraw/zinc/44/84/96/816448496.db2.gz NRGNNRVOJIWUOR-UHFFFAOYSA-N 1 3 278.827 3.306 20 0 CGADHO CCCCOc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1 ZINC001222532896 816462590 /nfs/dbraw/zinc/46/25/90/816462590.db2.gz PINOEIZQIFAYPS-UHFFFAOYSA-N 1 3 294.414 3.128 20 0 CGADHO C[NH2+]Cc1ccc(-c2ccc(OC)c(CN(C)C)c2)cc1 ZINC001242993829 823202276 /nfs/dbraw/zinc/20/22/76/823202276.db2.gz JQFCOSMTPZDIRH-UHFFFAOYSA-N 1 3 284.403 3.143 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032407 818984484 /nfs/dbraw/zinc/98/44/84/818984484.db2.gz LLYSHTAKCJEQEU-IBGZPJMESA-N 1 3 280.415 3.334 20 0 CGADHO Cc1ccc(CN2CCC[C@]3(CCC[NH2+]3)CC2)c(C)c1 ZINC001235041313 818988511 /nfs/dbraw/zinc/98/85/11/818988511.db2.gz PEIQAIGOMCZDDG-GOSISDBHSA-N 1 3 272.436 3.412 20 0 CGADHO CC1(C[N@@H+]2CCCC23CCNCC3)CCCCC1 ZINC001235139731 819015703 /nfs/dbraw/zinc/01/57/03/819015703.db2.gz CRRODOKYGGKWCL-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO CC1(C[N@H+]2CCCC23CCNCC3)CCCCC1 ZINC001235139731 819015706 /nfs/dbraw/zinc/01/57/06/819015706.db2.gz CRRODOKYGGKWCL-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO Cc1ccc(F)c(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232654 819041623 /nfs/dbraw/zinc/04/16/23/819041623.db2.gz ZDLYOEFHZHJKEE-GOSISDBHSA-N 1 3 290.426 3.488 20 0 CGADHO CC(C)=CCCC1=CC[C@@H](CN2CC[C@H]([NH3+])C2)CC1 ZINC001235362949 819080697 /nfs/dbraw/zinc/08/06/97/819080697.db2.gz PMCAMFKBFPFIQJ-SJORKVTESA-N 1 3 262.441 3.492 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235407603 819087522 /nfs/dbraw/zinc/08/75/22/819087522.db2.gz SMTCHYMUOGQDOG-YESZJQIVSA-N 1 3 282.447 3.392 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235407603 819087524 /nfs/dbraw/zinc/08/75/24/819087524.db2.gz SMTCHYMUOGQDOG-YESZJQIVSA-N 1 3 282.447 3.392 20 0 CGADHO Clc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235420733 819091761 /nfs/dbraw/zinc/09/17/61/819091761.db2.gz ANWFXLZHVOGWJI-CHWSQXEVSA-N 1 3 282.815 3.145 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001235679472 819138722 /nfs/dbraw/zinc/13/87/22/819138722.db2.gz UXNSWNAJZGSQCP-UHFFFAOYSA-N 1 3 291.826 3.253 20 0 CGADHO Cc1ccc(F)c(CN2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235701412 819147167 /nfs/dbraw/zinc/14/71/67/819147167.db2.gz HZUPACIDFHWJJU-UHFFFAOYSA-N 1 3 290.426 3.346 20 0 CGADHO Cc1cccc(F)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235887051 819197232 /nfs/dbraw/zinc/19/72/32/819197232.db2.gz BTINRHSKYIIMHG-QGZVFWFLSA-N 1 3 276.399 3.098 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890383 819198858 /nfs/dbraw/zinc/19/88/58/819198858.db2.gz DXPYGZTYTJPBHW-XJKSGUPXSA-N 1 3 254.377 3.103 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890383 819198862 /nfs/dbraw/zinc/19/88/62/819198862.db2.gz DXPYGZTYTJPBHW-XJKSGUPXSA-N 1 3 254.377 3.103 20 0 CGADHO N[C@@]12CC[C@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980951 819256279 /nfs/dbraw/zinc/25/62/79/819256279.db2.gz SOWSDAFNDRMSOP-DZGCQCFKSA-N 1 3 298.352 3.061 20 0 CGADHO N[C@@]12CC[C@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980951 819256285 /nfs/dbraw/zinc/25/62/85/819256285.db2.gz SOWSDAFNDRMSOP-DZGCQCFKSA-N 1 3 298.352 3.061 20 0 CGADHO c1cc2c(cc1CN1CC3(C1)CCCCC3)CC[NH2+]C2 ZINC001235994682 819263988 /nfs/dbraw/zinc/26/39/88/819263988.db2.gz VAERMNAZCQSTGS-UHFFFAOYSA-N 1 3 270.420 3.098 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2C[C@H](C)C[C@H](N)C2)c(C)c1C ZINC001236046722 819284009 /nfs/dbraw/zinc/28/40/09/819284009.db2.gz HTVVAIOKIDWTDS-DIFFPNOSSA-N 1 3 274.452 3.398 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2C[C@H](C)C[C@H](N)C2)c(C)c1C ZINC001236046722 819284014 /nfs/dbraw/zinc/28/40/14/819284014.db2.gz HTVVAIOKIDWTDS-DIFFPNOSSA-N 1 3 274.452 3.398 20 0 CGADHO C[N@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCCC[C@H]1N ZINC001236213134 819376623 /nfs/dbraw/zinc/37/66/23/819376623.db2.gz NQFQLPBRUICISF-IAGOWNOFSA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCCC[C@H]1N ZINC001236213134 819376629 /nfs/dbraw/zinc/37/66/29/819376629.db2.gz NQFQLPBRUICISF-IAGOWNOFSA-N 1 3 284.403 3.247 20 0 CGADHO C[N@H+](Cc1cccc2occc21)[C@H]1CCCC[C@@H]1N ZINC001236217227 819381737 /nfs/dbraw/zinc/38/17/37/819381737.db2.gz OFZCKXWBYQGXOG-GJZGRUSLSA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2occc21)[C@H]1CCCC[C@@H]1N ZINC001236217227 819381743 /nfs/dbraw/zinc/38/17/43/819381743.db2.gz OFZCKXWBYQGXOG-GJZGRUSLSA-N 1 3 258.365 3.135 20 0 CGADHO CCN(CCc1ccc(OC)cc1)CC[C@@H]1CCCC[NH2+]1 ZINC001236303372 819417354 /nfs/dbraw/zinc/41/73/54/819417354.db2.gz QHCJCYYCPIDIBC-KRWDZBQOSA-N 1 3 290.451 3.092 20 0 CGADHO c1csc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236373420 819442304 /nfs/dbraw/zinc/44/23/04/819442304.db2.gz HNZWYRNXKVWQKY-CQSZACIVSA-N 1 3 278.465 3.492 20 0 CGADHO Cc1cc(O)cc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236457100 819485096 /nfs/dbraw/zinc/48/50/96/819485096.db2.gz IJXZGWJFGMQKNW-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO Cc1cc(O)cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236457100 819485099 /nfs/dbraw/zinc/48/50/99/819485099.db2.gz IJXZGWJFGMQKNW-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2occc21 ZINC001236743139 819590653 /nfs/dbraw/zinc/59/06/53/819590653.db2.gz JTBACDZGNRHEFR-UHFFFAOYSA-N 1 3 272.392 3.351 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2occc21 ZINC001236743139 819590660 /nfs/dbraw/zinc/59/06/60/819590660.db2.gz JTBACDZGNRHEFR-UHFFFAOYSA-N 1 3 272.392 3.351 20 0 CGADHO CCCN(Cc1c(C)[nH]c2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236833973 819613688 /nfs/dbraw/zinc/61/36/88/819613688.db2.gz DUMAJNZNBVBKIK-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236836000 819614606 /nfs/dbraw/zinc/61/46/06/819614606.db2.gz SIFQMIOGJWSLMT-AWEZNQCLSA-N 1 3 266.816 3.162 20 0 CGADHO CCCN(Cc1ccc(C2CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236841881 819618911 /nfs/dbraw/zinc/61/89/11/819618911.db2.gz ANUOHYTWYUMXFB-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO CCCN(Cc1ccc(CC)s1)C[C@H]1CC[NH2+]C1 ZINC001236844584 819620854 /nfs/dbraw/zinc/62/08/54/819620854.db2.gz WKCJVZIIMLDUCM-ZDUSSCGKSA-N 1 3 266.454 3.132 20 0 CGADHO C[C@]1(CN)CCC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001237058380 819656382 /nfs/dbraw/zinc/65/63/82/819656382.db2.gz PLSPCGSGFAHIRI-MRXNPFEDSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@]1(CN)CCC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001237058380 819656390 /nfs/dbraw/zinc/65/63/90/819656390.db2.gz PLSPCGSGFAHIRI-MRXNPFEDSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078813 819662255 /nfs/dbraw/zinc/66/22/55/819662255.db2.gz RVUGKJUXEXYZKO-UIBBOPPKSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078813 819662260 /nfs/dbraw/zinc/66/22/60/819662260.db2.gz RVUGKJUXEXYZKO-UIBBOPPKSA-N 1 3 278.827 3.113 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc3cccccc1-3)CC2 ZINC001237192624 819694382 /nfs/dbraw/zinc/69/43/82/819694382.db2.gz GJINXQXCRUVKOH-UHFFFAOYSA-N 1 3 280.415 3.319 20 0 CGADHO CCc1cccc(C)c1CN(C)C1CC[NH+](CC)CC1 ZINC001237327219 819728096 /nfs/dbraw/zinc/72/80/96/819728096.db2.gz OVRGUSMQNBFFJD-UHFFFAOYSA-N 1 3 274.452 3.474 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001237353805 819733398 /nfs/dbraw/zinc/73/33/98/819733398.db2.gz UVLAWQWHKCWJEJ-CABCVRRESA-N 1 3 292.854 3.340 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001237353805 819733403 /nfs/dbraw/zinc/73/34/03/819733403.db2.gz UVLAWQWHKCWJEJ-CABCVRRESA-N 1 3 292.854 3.340 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237527118 819772373 /nfs/dbraw/zinc/77/23/73/819772373.db2.gz VZUXVDOGGLWSCH-IYBDPMFKSA-N 1 3 298.405 3.362 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237527118 819772375 /nfs/dbraw/zinc/77/23/75/819772375.db2.gz VZUXVDOGGLWSCH-IYBDPMFKSA-N 1 3 298.405 3.362 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c12 ZINC001237636821 819795918 /nfs/dbraw/zinc/79/59/18/819795918.db2.gz QRSWIWRMWGXBNF-MAUKXSAKSA-N 1 3 295.430 3.069 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c12 ZINC001237636821 819795921 /nfs/dbraw/zinc/79/59/21/819795921.db2.gz QRSWIWRMWGXBNF-MAUKXSAKSA-N 1 3 295.430 3.069 20 0 CGADHO CN(C)Cc1cccc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001240051392 820803475 /nfs/dbraw/zinc/80/34/75/820803475.db2.gz PQVRZILDAIUTOZ-UHFFFAOYSA-N 1 3 295.430 3.406 20 0 CGADHO CN1CCC=C(c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001241569558 821955344 /nfs/dbraw/zinc/95/53/44/821955344.db2.gz GRANWSCCZKAQLX-UHFFFAOYSA-N 1 3 270.420 3.391 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC001345483481 936812304 /nfs/dbraw/zinc/81/23/04/936812304.db2.gz SCOOTYFXWIYGPT-UPJWGTAASA-N 1 3 291.464 3.376 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCc2ncc(C)cc2C1 ZINC001167841790 927030000 /nfs/dbraw/zinc/03/00/00/927030000.db2.gz QWWXSINOEYQHLK-INIZCTEOSA-N 1 3 289.467 3.259 20 0 CGADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC2(C1)CCCCCC2 ZINC001307506385 927307122 /nfs/dbraw/zinc/30/71/22/927307122.db2.gz NGBAGXBPOSMHSD-KRWDZBQOSA-N 1 3 296.499 3.124 20 0 CGADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC2(C1)CCCCCC2 ZINC001307506385 927307134 /nfs/dbraw/zinc/30/71/34/927307134.db2.gz NGBAGXBPOSMHSD-KRWDZBQOSA-N 1 3 296.499 3.124 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NC2(Cc3ccc(F)cc3)CC2)C1 ZINC000902386799 928762816 /nfs/dbraw/zinc/76/28/16/928762816.db2.gz HOJOMYBBZSKVFL-INIZCTEOSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1cccc(C2([NH2+]CC[C@H]3CCCN3C)CCC2)c1 ZINC001460292793 937524937 /nfs/dbraw/zinc/52/49/37/937524937.db2.gz QWLHUNFHWVPCEL-QGZVFWFLSA-N 1 3 272.436 3.448 20 0 CGADHO CC[C@@H](C)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC001460750814 937543101 /nfs/dbraw/zinc/54/31/01/937543101.db2.gz WCXDNNJLXBMHLH-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO C[N@H+](CCCN1CCCC1)CC1(c2ccccc2)CC1 ZINC000189318406 932024600 /nfs/dbraw/zinc/02/46/00/932024600.db2.gz KFUVWLJKKAKNDI-UHFFFAOYSA-N 1 3 272.436 3.136 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CC1(c2ccccc2)CC1 ZINC000189318406 932024610 /nfs/dbraw/zinc/02/46/10/932024610.db2.gz KFUVWLJKKAKNDI-UHFFFAOYSA-N 1 3 272.436 3.136 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC001461002641 937559235 /nfs/dbraw/zinc/55/92/35/937559235.db2.gz ZXZSGKXPQUGZFQ-AATRIKPKSA-N 1 3 282.378 3.155 20 0 CGADHO Fc1ccc(/C=C\C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC001461049550 937561604 /nfs/dbraw/zinc/56/16/04/937561604.db2.gz FWFXQYWPQCWGFI-NMBNSIPYSA-N 1 3 274.383 3.055 20 0 CGADHO C[C@@H]1C[N@H+](CC2(C)CCCC2)CCN1c1ccncc1 ZINC001462551627 937649930 /nfs/dbraw/zinc/64/99/30/937649930.db2.gz WTDBYIYNQYROCG-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1C[N@@H+](CC2(C)CCCC2)CCN1c1ccncc1 ZINC001462551627 937649931 /nfs/dbraw/zinc/64/99/31/937649931.db2.gz WTDBYIYNQYROCG-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001308091165 933046284 /nfs/dbraw/zinc/04/62/84/933046284.db2.gz YBMHQUXTVYCPLY-BRWVUGGUSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001308091165 933046293 /nfs/dbraw/zinc/04/62/93/933046293.db2.gz YBMHQUXTVYCPLY-BRWVUGGUSA-N 1 3 287.451 3.418 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC001319199295 933841180 /nfs/dbraw/zinc/84/11/80/933841180.db2.gz VIOKNQORHXIHNJ-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@@H]2CCC[C@H]21 ZINC001322071550 934238562 /nfs/dbraw/zinc/23/85/62/934238562.db2.gz WRDRAJSIELUBDZ-GBESFXJTSA-N 1 3 284.447 3.138 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@@H]2CCC[C@H]21 ZINC001322071550 934238570 /nfs/dbraw/zinc/23/85/70/934238570.db2.gz WRDRAJSIELUBDZ-GBESFXJTSA-N 1 3 284.447 3.138 20 0 CGADHO CN(C)c1ccc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC001325744326 934926159 /nfs/dbraw/zinc/92/61/59/934926159.db2.gz UZKZOAXNESUFAF-OALUTQOASA-N 1 3 295.430 3.030 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C(C)C)C1 ZINC001330355124 935287132 /nfs/dbraw/zinc/28/71/32/935287132.db2.gz YVLXUSPBHHFPOR-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)C12CCC2 ZINC001333441149 935536067 /nfs/dbraw/zinc/53/60/67/935536067.db2.gz KLELMHZWLFKHEI-CVEARBPZSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1ccccc1[C@@H](NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC001333582340 935548757 /nfs/dbraw/zinc/54/87/57/935548757.db2.gz KNSLFWRUNDZBTQ-WBVHZDCISA-N 1 3 260.425 3.281 20 0 CGADHO C[C@@H]1C[N@H+](CC2CC3(CCC3)C2)CCN1c1ccncc1 ZINC001473760028 937821395 /nfs/dbraw/zinc/82/13/95/937821395.db2.gz VGPVMXPERCPBOV-OAHLLOKOSA-N 1 3 285.435 3.172 20 0 CGADHO C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)CCN1c1ccncc1 ZINC001473760028 937821397 /nfs/dbraw/zinc/82/13/97/937821397.db2.gz VGPVMXPERCPBOV-OAHLLOKOSA-N 1 3 285.435 3.172 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C[C@@H](C)O1 ZINC001474016107 937835376 /nfs/dbraw/zinc/83/53/76/937835376.db2.gz MHOBFHYWIWADSP-HSFUPAIVSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](C)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001474494631 937863391 /nfs/dbraw/zinc/86/33/91/937863391.db2.gz CDROTULVZGZBRS-MRXNPFEDSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC001549545575 938157886 /nfs/dbraw/zinc/15/78/86/938157886.db2.gz GMOYXQREXOEIBO-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(N)C[NH+]1CCC(c2cccc3[nH]ccc32)CC1 ZINC001550351860 938166313 /nfs/dbraw/zinc/16/63/13/938166313.db2.gz VMOKBNFXYQEZDR-UHFFFAOYSA-N 1 3 271.408 3.085 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCN(C)C[C@H]2C1 ZINC001550540797 938167522 /nfs/dbraw/zinc/16/75/22/938167522.db2.gz LDARGUOFYMNUMT-YESZJQIVSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCN(C)C[C@H]2C1 ZINC001550540797 938167523 /nfs/dbraw/zinc/16/75/23/938167523.db2.gz LDARGUOFYMNUMT-YESZJQIVSA-N 1 3 258.409 3.021 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551237996 938178446 /nfs/dbraw/zinc/17/84/46/938178446.db2.gz FVIOSCHXWOXAFH-NALMEZQBSA-N 1 3 294.483 3.188 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC001553024377 938195871 /nfs/dbraw/zinc/19/58/71/938195871.db2.gz ANEUMNAVPVGKLB-TXTZMMAHSA-N 1 3 284.447 3.156 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCN1CCCCC1 ZINC001560251805 938249343 /nfs/dbraw/zinc/24/93/43/938249343.db2.gz BCPJRXQJQDQMGP-IRXDYDNUSA-N 1 3 264.457 3.444 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cc(C)nc(C)c2)CC1 ZINC001560294134 938251866 /nfs/dbraw/zinc/25/18/66/938251866.db2.gz OHSBKSBSNXRNBZ-UHFFFAOYSA-N 1 3 275.440 3.053 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC(C)(C)C1 ZINC001560621831 938266173 /nfs/dbraw/zinc/26/61/73/938266173.db2.gz BLGDNMCXFSJJQD-RFBLXINOSA-N 1 3 264.457 3.131 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]CC(C)(C)CN1CCCC1 ZINC001560806485 938277179 /nfs/dbraw/zinc/27/71/79/938277179.db2.gz WEPDLEOBEQUNJH-HNNXBMFYSA-N 1 3 284.488 3.149 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001561053571 938292261 /nfs/dbraw/zinc/29/22/61/938292261.db2.gz XFCUFCURQBZHOO-XFIYOXNOSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)(C)[C@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC001575119736 960466903 /nfs/dbraw/zinc/46/69/03/960466903.db2.gz OHDQUCKRWOITSQ-LBPRGKRZSA-N 1 3 293.480 3.047 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC001575421619 962381753 /nfs/dbraw/zinc/38/17/53/962381753.db2.gz AEIMZZBXIHJBST-HOTGVXAUSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)[C@H](C[NH3+])CN(Cc1ccc(F)cc1)C1CC1 ZINC001575423289 962382785 /nfs/dbraw/zinc/38/27/85/962382785.db2.gz RIAHCXXBDRPAMX-CQSZACIVSA-N 1 3 264.388 3.021 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](CN)C(C)C ZINC001575593101 962400911 /nfs/dbraw/zinc/40/09/11/962400911.db2.gz FUXWQNSANJTGCS-KRWDZBQOSA-N 1 3 262.441 3.376 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)C[C@H](CN)C(C)C ZINC001575593101 962400916 /nfs/dbraw/zinc/40/09/16/962400916.db2.gz FUXWQNSANJTGCS-KRWDZBQOSA-N 1 3 262.441 3.376 20 0 CGADHO C[C@@H]1CCCN(CCc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC001576708416 962485524 /nfs/dbraw/zinc/48/55/24/962485524.db2.gz DBCXOTZNQRXVHA-CZUORRHYSA-N 1 3 280.843 3.332 20 0 CGADHO C/C=C/C[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC001576915607 962497635 /nfs/dbraw/zinc/49/76/35/962497635.db2.gz XOHVVBFGMGHKIV-OBMMGQTPSA-N 1 3 250.430 3.054 20 0 CGADHO C/C=C/C[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC001576915607 962497643 /nfs/dbraw/zinc/49/76/43/962497643.db2.gz XOHVVBFGMGHKIV-OBMMGQTPSA-N 1 3 250.430 3.054 20 0 CGADHO CCC(CC)C[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC001577069603 962506189 /nfs/dbraw/zinc/50/61/89/962506189.db2.gz JZQJRXJCPNYCIH-UHFFFAOYSA-N 1 3 264.457 3.166 20 0 CGADHO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)CNCC2 ZINC001577419690 962545586 /nfs/dbraw/zinc/54/55/86/962545586.db2.gz XRIOTKNVFCYXSE-QWHCGFSZSA-N 1 3 293.480 3.237 20 0 CGADHO CCc1cccc2c1OCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC001578268573 962585375 /nfs/dbraw/zinc/58/53/75/962585375.db2.gz MOGOJTYUKUMVDQ-GOSISDBHSA-N 1 3 296.414 3.321 20 0 CGADHO COc1cccc(CCC[N@@H+]2CCC[C@H](C)[C@H]2CCN)c1 ZINC001579273893 962619968 /nfs/dbraw/zinc/61/99/68/962619968.db2.gz ILBCASUWOIAIBI-MAUKXSAKSA-N 1 3 290.451 3.077 20 0 CGADHO COc1cccc(CCC[N@H+]2CCC[C@H](C)[C@H]2CCN)c1 ZINC001579273893 962619982 /nfs/dbraw/zinc/61/99/82/962619982.db2.gz ILBCASUWOIAIBI-MAUKXSAKSA-N 1 3 290.451 3.077 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCCC[C@@H]1c1ccco1 ZINC001579454610 962629522 /nfs/dbraw/zinc/62/95/22/962629522.db2.gz OOETUVWDNVDGSX-QLFBSQMISA-N 1 3 262.397 3.052 20 0 CGADHO Cc1ccc(CC[N@@H+]2C[C@H]3CCCC[C@@]3(CN)C2)cc1C ZINC001579688176 962655155 /nfs/dbraw/zinc/65/51/55/962655155.db2.gz UKSIMFUORCJSKL-RTBURBONSA-N 1 3 286.463 3.297 20 0 CGADHO Cc1ccc(CC[N@H+]2C[C@H]3CCCC[C@@]3(CN)C2)cc1C ZINC001579688176 962655168 /nfs/dbraw/zinc/65/51/68/962655168.db2.gz UKSIMFUORCJSKL-RTBURBONSA-N 1 3 286.463 3.297 20 0 CGADHO Cc1cccc(CCC[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)c1 ZINC001579759581 962669846 /nfs/dbraw/zinc/66/98/46/962669846.db2.gz NWQTZBIFXILMOL-BQFCYCMXSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1cccc(CCC[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)c1 ZINC001579759581 962669856 /nfs/dbraw/zinc/66/98/56/962669856.db2.gz NWQTZBIFXILMOL-BQFCYCMXSA-N 1 3 274.452 3.233 20 0 CGADHO F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001580027150 962686059 /nfs/dbraw/zinc/68/60/59/962686059.db2.gz KCKYKZMLQJRQMR-ITWBUVANSA-N 1 3 288.410 3.134 20 0 CGADHO N[C@H](CC[NH2+]CC1CCCCC1)Cc1ccccc1 ZINC001580128719 962698364 /nfs/dbraw/zinc/69/83/64/962698364.db2.gz ZVYAOVDKPMEZQR-QGZVFWFLSA-N 1 3 260.425 3.116 20 0 CGADHO NC1CC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001580166059 962701141 /nfs/dbraw/zinc/70/11/41/962701141.db2.gz VZBQXIKVIFSDIA-VKITVTTRSA-N 1 3 264.800 3.055 20 0 CGADHO [NH3+]C1CC(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001580166059 962701158 /nfs/dbraw/zinc/70/11/58/962701158.db2.gz VZBQXIKVIFSDIA-VKITVTTRSA-N 1 3 264.800 3.055 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337385859 214044904 /nfs/dbraw/zinc/04/49/04/214044904.db2.gz HSEYJRLFLLJVRU-INIZCTEOSA-N 1 3 258.409 3.171 20 0 CGADHO CN(C)CCOC1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000353549651 282106999 /nfs/dbraw/zinc/10/69/99/282106999.db2.gz LIGHPCIEQCRLLQ-UHFFFAOYSA-N 1 3 296.499 3.245 20 0 CGADHO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000621771326 349584303 /nfs/dbraw/zinc/58/43/03/349584303.db2.gz CIZCKGSJLJHDJP-HWOWSKLDSA-N 1 3 290.451 3.324 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337987315 214345275 /nfs/dbraw/zinc/34/52/75/214345275.db2.gz JTDGITASXAZVIZ-HUUCEWRRSA-N 1 3 258.425 3.226 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000423460539 529568406 /nfs/dbraw/zinc/56/84/06/529568406.db2.gz IZYFXGHQLVLCEV-YPMHNXCESA-N 1 3 272.339 3.066 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423457065 529568911 /nfs/dbraw/zinc/56/89/11/529568911.db2.gz FFVFGXZXMJVYDU-ZYHUDNBSSA-N 1 3 252.427 3.015 20 0 CGADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000418104195 529586037 /nfs/dbraw/zinc/58/60/37/529586037.db2.gz KAHUVIRMEUIACO-SJORKVTESA-N 1 3 287.451 3.465 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1C[C@@H]1C ZINC000414065602 529631589 /nfs/dbraw/zinc/63/15/89/529631589.db2.gz HEPBWTJUPLLDGA-QGTPRVQTSA-N 1 3 290.451 3.151 20 0 CGADHO CN1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC1(C)C ZINC000623337318 349781881 /nfs/dbraw/zinc/78/18/81/349781881.db2.gz DQVUFABFRPIUIX-CQSZACIVSA-N 1 3 266.816 3.302 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCOC2CCCCCC2)CC1(C)C ZINC000623424532 349804267 /nfs/dbraw/zinc/80/42/67/349804267.db2.gz WTPMNQQERAUEOS-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@H+]1CC[C@@H](NCCOC2CCCCCC2)CC1(C)C ZINC000623424532 349804269 /nfs/dbraw/zinc/80/42/69/349804269.db2.gz WTPMNQQERAUEOS-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423050616 282246724 /nfs/dbraw/zinc/24/67/24/282246724.db2.gz YYPVAQYIIZWGPX-SVGFKBNWSA-N 1 3 282.472 3.090 20 0 CGADHO CCc1nc(C)c([C@@H](C)N(C)CCC2CC[NH2+]CC2)s1 ZINC000359206458 529728759 /nfs/dbraw/zinc/72/87/59/529728759.db2.gz HQPPKIHDRLWFTM-CYBMUJFWSA-N 1 3 295.496 3.396 20 0 CGADHO COCCC1(C[NH2+]C[C@H]2CCCCN(C)C2)CCCCC1 ZINC000623657070 349858689 /nfs/dbraw/zinc/85/86/89/349858689.db2.gz JCNNNFCHJJUGKB-QGZVFWFLSA-N 1 3 296.499 3.295 20 0 CGADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657558 349859555 /nfs/dbraw/zinc/85/95/55/349859555.db2.gz UKRUSLULPNSACV-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@H]1CC([NH2+]C[C@@H]2CCCCN(C)C2)C[C@H](C)C1 ZINC000623657694 349859642 /nfs/dbraw/zinc/85/96/42/349859642.db2.gz WUOZKEGIFSTRNT-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CSc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623655238 349857121 /nfs/dbraw/zinc/85/71/21/349857121.db2.gz SDYMBQGGIWDFLN-HNNXBMFYSA-N 1 3 278.465 3.230 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000623656384 349857693 /nfs/dbraw/zinc/85/76/93/349857693.db2.gz SZOSFQHAWQBIPC-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000623656909 349858226 /nfs/dbraw/zinc/85/82/26/349858226.db2.gz FKIVNSACNVOFAD-INIZCTEOSA-N 1 3 274.452 3.286 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128120785 187352675 /nfs/dbraw/zinc/35/26/75/187352675.db2.gz CQWVOHZCQYNDEC-KZNAEPCWSA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128120785 187352677 /nfs/dbraw/zinc/35/26/77/187352677.db2.gz CQWVOHZCQYNDEC-KZNAEPCWSA-N 1 3 284.447 3.323 20 0 CGADHO Cc1ccc(C)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000351592707 219137687 /nfs/dbraw/zinc/13/76/87/219137687.db2.gz APJOQCPKRPIQTP-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1ccc(C)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000351592707 219137690 /nfs/dbraw/zinc/13/76/90/219137690.db2.gz APJOQCPKRPIQTP-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3occc3c2)CC1 ZINC000368565329 530051068 /nfs/dbraw/zinc/05/10/68/530051068.db2.gz CJJLLTLCSOXBIM-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2ccc3occc3c2)CC1 ZINC000368565329 530051069 /nfs/dbraw/zinc/05/10/69/530051069.db2.gz CJJLLTLCSOXBIM-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO C[NH+]1CCC2(CCCN2Cc2ccc3occc3c2)CC1 ZINC000368565329 530051070 /nfs/dbraw/zinc/05/10/70/530051070.db2.gz CJJLLTLCSOXBIM-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000040621662 344964517 /nfs/dbraw/zinc/96/45/17/344964517.db2.gz LEFLQAALBPKWLU-RDJZCZTQSA-N 1 3 290.451 3.033 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535134 345012749 /nfs/dbraw/zinc/01/27/49/345012749.db2.gz WBBQXKHWMPIVLN-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535134 345012752 /nfs/dbraw/zinc/01/27/52/345012752.db2.gz WBBQXKHWMPIVLN-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C(C)C)C2CC2)C1 ZINC000090586842 345790853 /nfs/dbraw/zinc/79/08/53/345790853.db2.gz TWZBWELYLSNZCZ-DOTOQJQBSA-N 1 3 266.473 3.379 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000092739326 345855429 /nfs/dbraw/zinc/85/54/29/345855429.db2.gz VNBFKLIDMFCASU-HOTGVXAUSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000092739326 345855432 /nfs/dbraw/zinc/85/54/32/345855432.db2.gz VNBFKLIDMFCASU-HOTGVXAUSA-N 1 3 275.440 3.387 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C)[C@@H]1OC ZINC000092768553 345858075 /nfs/dbraw/zinc/85/80/75/345858075.db2.gz XFMKZIMIBYKDRW-UTSKFRMZSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)[C@@H]1OC ZINC000092768553 345858077 /nfs/dbraw/zinc/85/80/77/345858077.db2.gz XFMKZIMIBYKDRW-UTSKFRMZSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@H](C)[C@@H]1OC ZINC000092768553 345858079 /nfs/dbraw/zinc/85/80/79/345858079.db2.gz XFMKZIMIBYKDRW-UTSKFRMZSA-N 1 3 294.483 3.043 20 0 CGADHO Cc1ncsc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000093688696 345885883 /nfs/dbraw/zinc/88/58/83/345885883.db2.gz SXYNMHPWFWVYLL-UHFFFAOYSA-N 1 3 281.469 3.005 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000166771947 346187615 /nfs/dbraw/zinc/18/76/15/346187615.db2.gz SGBBJCCPAGPJBB-ZJIFWQFVSA-N 1 3 282.497 3.267 20 0 CGADHO Cc1csc([C@@H](C)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000624017376 349948068 /nfs/dbraw/zinc/94/80/68/349948068.db2.gz YVNDUQWYBOWUFP-CYBMUJFWSA-N 1 3 293.480 3.224 20 0 CGADHO CCOC1CC(C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000351722130 219186652 /nfs/dbraw/zinc/18/66/52/219186652.db2.gz VBKNOUMAEPDPLN-VUGNNNGISA-N 1 3 294.483 3.044 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000300078281 346436249 /nfs/dbraw/zinc/43/62/49/346436249.db2.gz JCOPIRIGBYFUHA-UAGQMJEPSA-N 1 3 264.457 3.299 20 0 CGADHO C/C=C\CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658318 346555113 /nfs/dbraw/zinc/55/51/13/346555113.db2.gz WAAIRWRDMCHDDW-OEQZANGBSA-N 1 3 258.409 3.205 20 0 CGADHO C/C=C\CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658318 346555116 /nfs/dbraw/zinc/55/51/16/346555116.db2.gz WAAIRWRDMCHDDW-OEQZANGBSA-N 1 3 258.409 3.205 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)c(F)c1 ZINC000624119606 349975456 /nfs/dbraw/zinc/97/54/56/349975456.db2.gz FWMFLGRGRGZTIK-OLZOCXBDSA-N 1 3 282.378 3.347 20 0 CGADHO CC(C)CSCCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595503712 347312354 /nfs/dbraw/zinc/31/23/54/347312354.db2.gz ARAKBSWHRPHJHK-MRXNPFEDSA-N 1 3 284.513 3.183 20 0 CGADHO CC(C)CSCCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595503712 347312357 /nfs/dbraw/zinc/31/23/57/347312357.db2.gz ARAKBSWHRPHJHK-MRXNPFEDSA-N 1 3 284.513 3.183 20 0 CGADHO CCSC1(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000596652881 347498560 /nfs/dbraw/zinc/49/85/60/347498560.db2.gz QFRBVSLMPHRNAU-KBPBESRZSA-N 1 3 262.422 3.007 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624119916 349976533 /nfs/dbraw/zinc/97/65/33/349976533.db2.gz MEVJADJTFQFDHT-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)s1 ZINC000624120775 349978934 /nfs/dbraw/zinc/97/89/34/349978934.db2.gz GVIZGTNBWLCKDY-GXTWGEPZSA-N 1 3 295.496 3.396 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120698 349979152 /nfs/dbraw/zinc/97/91/52/349979152.db2.gz FIYFIXCUQHBGJA-NVXWUHKLSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121890 349979933 /nfs/dbraw/zinc/97/99/33/349979933.db2.gz FTPWGMIEDPOFPU-GDBMZVCRSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121171 349978150 /nfs/dbraw/zinc/97/81/50/349978150.db2.gz PNEACBRZEAPQIL-RVKKMQEKSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121171 349978152 /nfs/dbraw/zinc/97/81/52/349978152.db2.gz PNEACBRZEAPQIL-RVKKMQEKSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121171 349978159 /nfs/dbraw/zinc/97/81/59/349978159.db2.gz PNEACBRZEAPQIL-RVKKMQEKSA-N 1 3 272.436 3.241 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000624121402 349978174 /nfs/dbraw/zinc/97/81/74/349978174.db2.gz VJQZGDNJDQWLBU-SUMWQHHRSA-N 1 3 276.399 3.135 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCC1 ZINC000624123026 349981194 /nfs/dbraw/zinc/98/11/94/349981194.db2.gz DKABVFPDIXUALX-HOCLYGCPSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000624123012 349981483 /nfs/dbraw/zinc/98/14/83/349981483.db2.gz DCPWQTZJPIXXHR-MAUKXSAKSA-N 1 3 287.451 3.244 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000604416902 348119774 /nfs/dbraw/zinc/11/97/74/348119774.db2.gz OCFBQKFOSBVXEU-HNNXBMFYSA-N 1 3 292.467 3.399 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123339 349983089 /nfs/dbraw/zinc/98/30/89/349983089.db2.gz KCZDLTLIKVRFSU-BQFCYCMXSA-N 1 3 290.451 3.084 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000624123677 349983156 /nfs/dbraw/zinc/98/31/56/349983156.db2.gz QGVYCONKEWBGDA-OAGGEKHMSA-N 1 3 270.436 3.226 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123341 349982593 /nfs/dbraw/zinc/98/25/93/349982593.db2.gz KCZDLTLIKVRFSU-NUJGCVRESA-N 1 3 290.451 3.084 20 0 CGADHO CCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000339435136 215166686 /nfs/dbraw/zinc/16/66/86/215166686.db2.gz WNMGQORJTOZMFM-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000339435136 215166688 /nfs/dbraw/zinc/16/66/88/215166688.db2.gz WNMGQORJTOZMFM-GOSISDBHSA-N 1 3 288.435 3.003 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000358250384 233089600 /nfs/dbraw/zinc/08/96/00/233089600.db2.gz PATYQPRJYZELIN-JLZZUVOBSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000358250384 233089603 /nfs/dbraw/zinc/08/96/03/233089603.db2.gz PATYQPRJYZELIN-JLZZUVOBSA-N 1 3 276.399 3.133 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000358381585 233121225 /nfs/dbraw/zinc/12/12/25/233121225.db2.gz MHKUPBLUQOOMCI-YDHLFZDLSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000358381585 233121226 /nfs/dbraw/zinc/12/12/26/233121226.db2.gz MHKUPBLUQOOMCI-YDHLFZDLSA-N 1 3 264.388 3.267 20 0 CGADHO CCC[C@H](C)CCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000625264999 350149336 /nfs/dbraw/zinc/14/93/36/350149336.db2.gz PBVCTEXHHFWJLG-XLAORIBOSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)C[C@@H](NCCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629536234 350705221 /nfs/dbraw/zinc/70/52/21/350705221.db2.gz GBELSYOZCFQRDH-MRXNPFEDSA-N 1 3 298.858 3.382 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000629556174 350712699 /nfs/dbraw/zinc/71/26/99/350712699.db2.gz MAAHOMNRDJIMBO-CHWSQXEVSA-N 1 3 291.826 3.223 20 0 CGADHO [NH3+]C[C@H]1CN(CC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629559340 350714073 /nfs/dbraw/zinc/71/40/73/350714073.db2.gz AVPGUBCHVVYPMQ-UONOGXRCSA-N 1 3 292.389 3.416 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2Cc2ccccc2)C[NH2+]1 ZINC000629418325 350690833 /nfs/dbraw/zinc/69/08/33/350690833.db2.gz WHMZWZFRQHAXGJ-LAVFITLUSA-N 1 3 272.436 3.128 20 0 CGADHO CCC[C@H](C)CCCN(C1CC1)C1CC[NH2+]CC1 ZINC000629509884 350699173 /nfs/dbraw/zinc/69/91/73/350699173.db2.gz QDEKEJWYFFVXDD-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO C[NH2+]Cc1cccc(-c2cccc(OCCN(C)C)c2)c1 ZINC000629699897 350743558 /nfs/dbraw/zinc/74/35/58/350743558.db2.gz CVAAJBLVOPRBRG-UHFFFAOYSA-N 1 3 284.403 3.013 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc3c2CCC3)C1 ZINC000630077404 350808314 /nfs/dbraw/zinc/80/83/14/350808314.db2.gz OYTOTLGUPQXJAZ-MRXNPFEDSA-N 1 3 272.436 3.043 20 0 CGADHO C[N@H+](Cc1ccc(Cl)c2cccnc12)C1CCNCC1 ZINC000336510060 213386942 /nfs/dbraw/zinc/38/69/42/213386942.db2.gz YDXBVUHHIHHQBD-UHFFFAOYSA-N 1 3 289.810 3.072 20 0 CGADHO C[N@@H+](Cc1ccc(Cl)c2cccnc12)C1CCNCC1 ZINC000336510060 213386944 /nfs/dbraw/zinc/38/69/44/213386944.db2.gz YDXBVUHHIHHQBD-UHFFFAOYSA-N 1 3 289.810 3.072 20 0 CGADHO c1cnc2cccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2c1 ZINC000634687938 351573887 /nfs/dbraw/zinc/57/38/87/351573887.db2.gz DEPLHYPUFIFZMP-BEFAXECRSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCSCC1 ZINC000635003832 351621924 /nfs/dbraw/zinc/62/19/24/351621924.db2.gz BIXKGBSAQZNOHT-RHSMWYFYSA-N 1 3 292.492 3.068 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000635005882 351624010 /nfs/dbraw/zinc/62/40/10/351624010.db2.gz PYVBQLCYNZYOMZ-HYVNUMGLSA-N 1 3 260.425 3.115 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCNc3ccccc32)C1 ZINC000635007342 351625389 /nfs/dbraw/zinc/62/53/89/351625389.db2.gz AUSWAZTVFGDXMW-WMLDXEAASA-N 1 3 287.451 3.301 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCc1cccc3c1CC[NH2+]C3)CC2 ZINC000635011497 351629746 /nfs/dbraw/zinc/62/97/46/351629746.db2.gz PUXGGVRFUAAYDM-FQEVSTJZSA-N 1 3 292.426 3.418 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc2[nH]ccc21 ZINC000635012000 351630551 /nfs/dbraw/zinc/63/05/51/351630551.db2.gz IQDQJQXSJHLJFE-AUUYWEPGSA-N 1 3 293.414 3.216 20 0 CGADHO c1cc2c(cccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000635012709 351630591 /nfs/dbraw/zinc/63/05/91/351630591.db2.gz NPSIZQQVAOTSJV-CGTJXYLNSA-N 1 3 283.419 3.178 20 0 CGADHO c1cc2cc(C[NH2+]CCCN3CCCCC3)ccc2o1 ZINC000352257139 219383571 /nfs/dbraw/zinc/38/35/71/219383571.db2.gz QPRYVVUWBYFLSJ-UHFFFAOYSA-N 1 3 272.392 3.398 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)CN(C)C ZINC000291752563 198080420 /nfs/dbraw/zinc/08/04/20/198080420.db2.gz QJLNOAJZQZFLFW-GFCCVEGCSA-N 1 3 291.826 3.176 20 0 CGADHO Cc1ccncc1[C@@H](C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000271564726 191214617 /nfs/dbraw/zinc/21/46/17/191214617.db2.gz OWIHJGXUKSEZRT-CQSZACIVSA-N 1 3 275.440 3.304 20 0 CGADHO CSCCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411349579 235051340 /nfs/dbraw/zinc/05/13/40/235051340.db2.gz QZKZFJVIFUROOU-UHFFFAOYSA-N 1 3 292.492 3.467 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000414179664 235356368 /nfs/dbraw/zinc/35/63/68/235356368.db2.gz LMEKLIRBMVCOET-KGLIPLIRSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179664 235356370 /nfs/dbraw/zinc/35/63/70/235356370.db2.gz LMEKLIRBMVCOET-KGLIPLIRSA-N 1 3 264.388 3.208 20 0 CGADHO Cc1occc1CNCCCC[NH+]1CCC(C)CC1 ZINC000414291017 235380634 /nfs/dbraw/zinc/38/06/34/235380634.db2.gz UBLIMIRADZLTHH-UHFFFAOYSA-N 1 3 264.413 3.190 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000105480545 138352294 /nfs/dbraw/zinc/35/22/94/138352294.db2.gz RFVZMEFQLGEEDO-RISCZKNCSA-N 1 3 286.341 3.135 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000105480545 138352295 /nfs/dbraw/zinc/35/22/95/138352295.db2.gz RFVZMEFQLGEEDO-RISCZKNCSA-N 1 3 286.341 3.135 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC000111695552 138364567 /nfs/dbraw/zinc/36/45/67/138364567.db2.gz GCXHJOFCKBBYAK-HOCLYGCPSA-N 1 3 268.404 3.399 20 0 CGADHO CC(C)[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000124750441 138377494 /nfs/dbraw/zinc/37/74/94/138377494.db2.gz HMDGAJBZBPYTOS-DLBZAZTESA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000124750441 138377495 /nfs/dbraw/zinc/37/74/95/138377495.db2.gz HMDGAJBZBPYTOS-DLBZAZTESA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000124750441 138377496 /nfs/dbraw/zinc/37/74/96/138377496.db2.gz HMDGAJBZBPYTOS-DLBZAZTESA-N 1 3 260.425 3.458 20 0 CGADHO COCc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000125546327 138382970 /nfs/dbraw/zinc/38/29/70/138382970.db2.gz FGXCTSMLWVEHTD-OAHLLOKOSA-N 1 3 294.439 3.028 20 0 CGADHO COCc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000125546327 138382971 /nfs/dbraw/zinc/38/29/71/138382971.db2.gz FGXCTSMLWVEHTD-OAHLLOKOSA-N 1 3 294.439 3.028 20 0 CGADHO COc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000127162558 138388370 /nfs/dbraw/zinc/38/83/70/138388370.db2.gz ALTBOWSZOWDRDC-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422967488 235950337 /nfs/dbraw/zinc/95/03/37/235950337.db2.gz CALHCYCTUQZKHV-BFYDXBDKSA-N 1 3 290.451 3.224 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422982480 235951808 /nfs/dbraw/zinc/95/18/08/235951808.db2.gz QVPOGFNDCQSYOG-RLFYNMQTSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1 ZINC000423296264 236028010 /nfs/dbraw/zinc/02/80/10/236028010.db2.gz YUMCHIWEBCCVKX-KBPBESRZSA-N 1 3 284.403 3.049 20 0 CGADHO C[C@H](NCCCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000423327925 236039946 /nfs/dbraw/zinc/03/99/46/236039946.db2.gz NIPOEZKHGVQKPP-VIFPVBQESA-N 1 3 292.757 3.331 20 0 CGADHO Cc1ccc([C@@H](NC[C@@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000423346773 236046365 /nfs/dbraw/zinc/04/63/65/236046365.db2.gz QESWSXRSBGZBHU-MSOLQXFVSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)cc1 ZINC000423346773 236046367 /nfs/dbraw/zinc/04/63/67/236046367.db2.gz QESWSXRSBGZBHU-MSOLQXFVSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccccc1[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423355586 236048305 /nfs/dbraw/zinc/04/83/05/236048305.db2.gz IIASNFMLZFFYCJ-AWEZNQCLSA-N 1 3 266.388 3.449 20 0 CGADHO COc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c(C)c1 ZINC000423374385 236053974 /nfs/dbraw/zinc/05/39/74/236053974.db2.gz IKYRDGOYMLCLEQ-AWEZNQCLSA-N 1 3 296.414 3.458 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423380867 236057166 /nfs/dbraw/zinc/05/71/66/236057166.db2.gz YZFCGVRPNSYLAY-YUELXQCFSA-N 1 3 272.392 3.223 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423380867 236057168 /nfs/dbraw/zinc/05/71/68/236057168.db2.gz YZFCGVRPNSYLAY-YUELXQCFSA-N 1 3 272.392 3.223 20 0 CGADHO COC[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423469624 236078653 /nfs/dbraw/zinc/07/86/53/236078653.db2.gz CVFCQBJCUYTRTF-HZPDHXFCSA-N 1 3 296.842 3.149 20 0 CGADHO COC[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423490369 236085336 /nfs/dbraw/zinc/08/53/36/236085336.db2.gz XOKOWDSRGIVDQY-HZPDHXFCSA-N 1 3 296.842 3.149 20 0 CGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cncc(F)c1 ZINC000423507840 236088889 /nfs/dbraw/zinc/08/88/89/236088889.db2.gz QOIOGJIFISENAE-GUYCJALGSA-N 1 3 287.382 3.352 20 0 CGADHO CCn1cc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000423511547 236090782 /nfs/dbraw/zinc/09/07/82/236090782.db2.gz UDFRRKXRLVWJQN-PBHICJAKSA-N 1 3 286.423 3.034 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(F)c1F ZINC000423540603 236095472 /nfs/dbraw/zinc/09/54/72/236095472.db2.gz KAIDMWLPMXIBSK-QNWHQSFQSA-N 1 3 280.362 3.004 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccsc1 ZINC000294383125 199019430 /nfs/dbraw/zinc/01/94/30/199019430.db2.gz INBFABSEHFDDJH-OCCSQVGLSA-N 1 3 252.427 3.131 20 0 CGADHO COCC(C)(C)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000426408696 236293789 /nfs/dbraw/zinc/29/37/89/236293789.db2.gz BZXQMLYDMDNLKG-IRXDYDNUSA-N 1 3 296.499 3.245 20 0 CGADHO COCC(C)(C)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000426408696 236293791 /nfs/dbraw/zinc/29/37/91/236293791.db2.gz BZXQMLYDMDNLKG-IRXDYDNUSA-N 1 3 296.499 3.245 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000294866566 199220666 /nfs/dbraw/zinc/22/06/66/199220666.db2.gz WHNAWGYUNMFCPO-RVKKMQEKSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000178413328 189114280 /nfs/dbraw/zinc/11/42/80/189114280.db2.gz IWUNGKDBTHCVRP-MRXNPFEDSA-N 1 3 298.434 3.009 20 0 CGADHO NC1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CCC1 ZINC000342120937 216225873 /nfs/dbraw/zinc/22/58/73/216225873.db2.gz AKBPWYPQUQGMAD-UHFFFAOYSA-N 1 3 296.414 3.237 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449379337 239366558 /nfs/dbraw/zinc/36/65/58/239366558.db2.gz SVXWXDDRCRCBPJ-FGTMMUONSA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449379337 239366560 /nfs/dbraw/zinc/36/65/60/239366560.db2.gz SVXWXDDRCRCBPJ-FGTMMUONSA-N 1 3 284.447 3.323 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccccc2OC(F)F)C1 ZINC000459738604 242201629 /nfs/dbraw/zinc/20/16/29/242201629.db2.gz RZNHODXCOQTXKD-ZDUSSCGKSA-N 1 3 298.377 3.110 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccccc2OC(F)F)C1 ZINC000459738604 242201631 /nfs/dbraw/zinc/20/16/31/242201631.db2.gz RZNHODXCOQTXKD-ZDUSSCGKSA-N 1 3 298.377 3.110 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)C1(c2ccccc2)CCCC1 ZINC000423046412 296115463 /nfs/dbraw/zinc/11/54/63/296115463.db2.gz DNRUUERICSKILL-OAHLLOKOSA-N 1 3 272.436 3.229 20 0 CGADHO C[C@@H](NC1CC[NH2+]CC1)C1(c2ccccc2)CCCC1 ZINC000423046412 296115465 /nfs/dbraw/zinc/11/54/65/296115465.db2.gz DNRUUERICSKILL-OAHLLOKOSA-N 1 3 272.436 3.229 20 0 CGADHO C[C@@H](NCC(C)(C)c1ccc(F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000422725511 296116987 /nfs/dbraw/zinc/11/69/87/296116987.db2.gz BNRYNFISFCFRIC-NEPJUHHUSA-N 1 3 298.833 3.344 20 0 CGADHO C[C@H](C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C)CN1CCCC1 ZINC000481305767 243186680 /nfs/dbraw/zinc/18/66/80/243186680.db2.gz KCRBNDUPEVTBHW-GLJUWKHASA-N 1 3 290.426 3.381 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1CC1(C)C ZINC000486974538 243391424 /nfs/dbraw/zinc/39/14/24/243391424.db2.gz XOPIQSUPPJVSGS-WMLDXEAASA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888403 368598676 /nfs/dbraw/zinc/59/86/76/368598676.db2.gz FAYUNRZIIMETAN-OAHLLOKOSA-N 1 3 260.425 3.155 20 0 CGADHO COc1ccccc1C[C@H](C)NCCC[NH+]1CCCCC1 ZINC000037229311 369078493 /nfs/dbraw/zinc/07/84/93/369078493.db2.gz MNJVNTGZPTUMNB-INIZCTEOSA-N 1 3 290.451 3.092 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649537 369097381 /nfs/dbraw/zinc/09/73/81/369097381.db2.gz YBXQMSMLDGNBCZ-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649537 369097385 /nfs/dbraw/zinc/09/73/85/369097385.db2.gz YBXQMSMLDGNBCZ-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649509 369097830 /nfs/dbraw/zinc/09/78/30/369097830.db2.gz AHOJUSPEAVFHJY-HOCLYGCPSA-N 1 3 272.436 3.384 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649509 369097832 /nfs/dbraw/zinc/09/78/32/369097832.db2.gz AHOJUSPEAVFHJY-HOCLYGCPSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN1)C1CCC(C(F)(F)F)CC1 ZINC000423240877 296133009 /nfs/dbraw/zinc/13/30/09/296133009.db2.gz UGCIJVFMUZRKQB-IKWCTNDRSA-N 1 3 278.362 3.085 20 0 CGADHO CCOCc1ccccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000037762181 369104950 /nfs/dbraw/zinc/10/49/50/369104950.db2.gz RLPZNUSMZAUEDX-UHFFFAOYSA-N 1 3 290.451 3.186 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)s1 ZINC000041631561 369193662 /nfs/dbraw/zinc/19/36/62/369193662.db2.gz IFLKQLHFUGUIJI-CHWSQXEVSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CC)C2)s1 ZINC000041631561 369193666 /nfs/dbraw/zinc/19/36/66/369193666.db2.gz IFLKQLHFUGUIJI-CHWSQXEVSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CC)C2)s1 ZINC000041631561 369193669 /nfs/dbraw/zinc/19/36/69/369193669.db2.gz IFLKQLHFUGUIJI-CHWSQXEVSA-N 1 3 266.454 3.303 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@@H](C)Cc1ccccc1F ZINC000219091921 376195436 /nfs/dbraw/zinc/19/54/36/376195436.db2.gz BKLXGJCDBOEQDG-AWEZNQCLSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@@H](C)Cc1ccccc1F ZINC000219091921 376195446 /nfs/dbraw/zinc/19/54/46/376195446.db2.gz BKLXGJCDBOEQDG-AWEZNQCLSA-N 1 3 266.404 3.077 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000219091921 376195450 /nfs/dbraw/zinc/19/54/50/376195450.db2.gz BKLXGJCDBOEQDG-AWEZNQCLSA-N 1 3 266.404 3.077 20 0 CGADHO Cc1ccc(F)cc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000129085132 370974909 /nfs/dbraw/zinc/97/49/09/370974909.db2.gz NQVXCCKQOMXUJC-ALOPSCKCSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(F)cc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000129085132 370974913 /nfs/dbraw/zinc/97/49/13/370974913.db2.gz NQVXCCKQOMXUJC-ALOPSCKCSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(F)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000129085132 370974915 /nfs/dbraw/zinc/97/49/15/370974915.db2.gz NQVXCCKQOMXUJC-ALOPSCKCSA-N 1 3 276.399 3.239 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1(c2ccccc2)CCCC1)C1CNC1 ZINC000423045408 296144687 /nfs/dbraw/zinc/14/46/87/296144687.db2.gz CBUYJEVHCFZIJE-CABCVRRESA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H](N[C@@H](C)C1(c2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000423045408 296144688 /nfs/dbraw/zinc/14/46/88/296144688.db2.gz CBUYJEVHCFZIJE-CABCVRRESA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)c1ccccc1 ZINC000057994270 369551749 /nfs/dbraw/zinc/55/17/49/369551749.db2.gz BNVGPPHYBXXDKU-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@H](COC)NCc1ccccc1C[NH+](CC)CC ZINC000079707111 369975503 /nfs/dbraw/zinc/97/55/03/369975503.db2.gz GHWNXHZGXAJPTL-QGZVFWFLSA-N 1 3 278.440 3.043 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000090721286 370066409 /nfs/dbraw/zinc/06/64/09/370066409.db2.gz IXMXRHXKECTNLE-CVEARBPZSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000090721286 370066414 /nfs/dbraw/zinc/06/64/14/370066414.db2.gz IXMXRHXKECTNLE-CVEARBPZSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000093213735 370112550 /nfs/dbraw/zinc/11/25/50/370112550.db2.gz JYCJOEBLVCHEFM-WCFLWFBJSA-N 1 3 252.427 3.285 20 0 CGADHO C1=CC[C@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000093683422 370152745 /nfs/dbraw/zinc/15/27/45/370152745.db2.gz IOSKXMLOJTWTDY-IRXDYDNUSA-N 1 3 262.441 3.151 20 0 CGADHO C1=CC[C@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000093683422 370152751 /nfs/dbraw/zinc/15/27/51/370152751.db2.gz IOSKXMLOJTWTDY-IRXDYDNUSA-N 1 3 262.441 3.151 20 0 CGADHO CCCN1CCC([N@H+](C)CCOc2cccc(F)c2)CC1 ZINC000109788790 370366240 /nfs/dbraw/zinc/36/62/40/370366240.db2.gz NDEKGGXFMZTPPF-UHFFFAOYSA-N 1 3 294.414 3.011 20 0 CGADHO CCCN1CCC([N@@H+](C)CCOc2cccc(F)c2)CC1 ZINC000109788790 370366245 /nfs/dbraw/zinc/36/62/45/370366245.db2.gz NDEKGGXFMZTPPF-UHFFFAOYSA-N 1 3 294.414 3.011 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000113513312 370476213 /nfs/dbraw/zinc/47/62/13/370476213.db2.gz ONNZVTSSTIVDSZ-MRXNPFEDSA-N 1 3 298.430 3.102 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000113513312 370476218 /nfs/dbraw/zinc/47/62/18/370476218.db2.gz ONNZVTSSTIVDSZ-MRXNPFEDSA-N 1 3 298.430 3.102 20 0 CGADHO CN(Cc1cccc2cccnc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118841280 370628301 /nfs/dbraw/zinc/62/83/01/370628301.db2.gz WRNZVRWGNPFCRP-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CN(Cc1cccc2cccnc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841280 370628306 /nfs/dbraw/zinc/62/83/06/370628306.db2.gz WRNZVRWGNPFCRP-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486504 371038556 /nfs/dbraw/zinc/03/85/56/371038556.db2.gz VRRUUUIJCFIFJS-DNVCBOLYSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000130486504 371038558 /nfs/dbraw/zinc/03/85/58/371038558.db2.gz VRRUUUIJCFIFJS-DNVCBOLYSA-N 1 3 297.446 3.397 20 0 CGADHO COCc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)o1 ZINC000131062439 371080337 /nfs/dbraw/zinc/08/03/37/371080337.db2.gz KAEUIMJVWFGURF-GDBMZVCRSA-N 1 3 292.423 3.047 20 0 CGADHO COCc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCCN2C)o1 ZINC000131062439 371080344 /nfs/dbraw/zinc/08/03/44/371080344.db2.gz KAEUIMJVWFGURF-GDBMZVCRSA-N 1 3 292.423 3.047 20 0 CGADHO CC(C)(C)[C@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132090530 371149995 /nfs/dbraw/zinc/14/99/95/371149995.db2.gz JSPUOZFZDBKRHF-GOEBONIOSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)(C)[C@H]([NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132090530 371150000 /nfs/dbraw/zinc/15/00/00/371150000.db2.gz JSPUOZFZDBKRHF-GOEBONIOSA-N 1 3 260.425 3.363 20 0 CGADHO COc1ccc2cc(CN3CC[C@@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000132215982 371159775 /nfs/dbraw/zinc/15/97/75/371159775.db2.gz LCGHGIMHCCOKCO-CXAGYDPISA-N 1 3 284.403 3.018 20 0 CGADHO CSCCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000132443219 371175291 /nfs/dbraw/zinc/17/52/91/371175291.db2.gz RGNFKGVICMIXEZ-AWEZNQCLSA-N 1 3 296.480 3.031 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000220205769 376207598 /nfs/dbraw/zinc/20/75/98/376207598.db2.gz JVAAYDOSNSOIIN-CVEARBPZSA-N 1 3 260.425 3.171 20 0 CGADHO CSC[C@@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000150992571 371556836 /nfs/dbraw/zinc/55/68/36/371556836.db2.gz MPLNJRLAZQASID-ZIAGYGMSSA-N 1 3 296.480 3.029 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000151107221 371570303 /nfs/dbraw/zinc/57/03/03/371570303.db2.gz FKEXKGGTORUZRD-JKSUJKDBSA-N 1 3 252.446 3.443 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)C2(OC)CCCCC2)C1 ZINC000421823298 371645542 /nfs/dbraw/zinc/64/55/42/371645542.db2.gz CRFMMWLPWDGVMU-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccncc1Cl ZINC000421827491 371649766 /nfs/dbraw/zinc/64/97/66/371649766.db2.gz XXULOVYBKPREJR-GFCCVEGCSA-N 1 3 281.831 3.118 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCCC1 ZINC000421840007 371663643 /nfs/dbraw/zinc/66/36/43/371663643.db2.gz ZHZXUPIBFJLKAB-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000421840007 371663646 /nfs/dbraw/zinc/66/36/46/371663646.db2.gz ZHZXUPIBFJLKAB-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840007 371663648 /nfs/dbraw/zinc/66/36/48/371663648.db2.gz ZHZXUPIBFJLKAB-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccncc1Cl ZINC000421863717 371686795 /nfs/dbraw/zinc/68/67/95/371686795.db2.gz XNZGKTCKFRXVBV-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863717 371686798 /nfs/dbraw/zinc/68/67/98/371686798.db2.gz XNZGKTCKFRXVBV-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1CN ZINC000422564156 371752423 /nfs/dbraw/zinc/75/24/23/371752423.db2.gz VOLDZJSFVUPTPI-SSGTUYFUSA-N 1 3 272.436 3.095 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1CN ZINC000422564156 371752432 /nfs/dbraw/zinc/75/24/32/371752432.db2.gz VOLDZJSFVUPTPI-SSGTUYFUSA-N 1 3 272.436 3.095 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CN ZINC000422564157 371753211 /nfs/dbraw/zinc/75/32/11/371753211.db2.gz VOLDZJSFVUPTPI-YGTYDBBMSA-N 1 3 272.436 3.095 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CN ZINC000422564157 371753214 /nfs/dbraw/zinc/75/32/14/371753214.db2.gz VOLDZJSFVUPTPI-YGTYDBBMSA-N 1 3 272.436 3.095 20 0 CGADHO Clc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422703166 371759832 /nfs/dbraw/zinc/75/98/32/371759832.db2.gz MHCITUYZQMMONR-XYPWUTKMSA-N 1 3 290.838 3.244 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc2ccccc2c1 ZINC000422704650 371760318 /nfs/dbraw/zinc/76/03/18/371760318.db2.gz QDYJBASMNNBCFB-KBXCAEBGSA-N 1 3 268.404 3.318 20 0 CGADHO COc1cccc([C@@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422710331 371763746 /nfs/dbraw/zinc/76/37/46/371763746.db2.gz LREGFKHFSNIYMG-OLZOCXBDSA-N 1 3 299.418 3.269 20 0 CGADHO Cc1sc(CN[C@H](C)CCCC[NH3+])nc1C(C)C ZINC000422714303 371765173 /nfs/dbraw/zinc/76/51/73/371765173.db2.gz QUKOGIAGTKSLNO-LLVKDONJSA-N 1 3 269.458 3.182 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(Cl)cc1 ZINC000422736880 371774288 /nfs/dbraw/zinc/77/42/88/371774288.db2.gz YPYRJIUBZMVXPL-GJZGRUSLSA-N 1 3 266.816 3.132 20 0 CGADHO Cc1c2ccccc2oc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422748579 371782633 /nfs/dbraw/zinc/78/26/33/371782633.db2.gz VEPLSUMDPVSEBX-ZFWWWQNUSA-N 1 3 272.392 3.348 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325672 214008910 /nfs/dbraw/zinc/00/89/10/214008910.db2.gz CBVRCNDHVGEDID-FUHWJXTLSA-N 1 3 289.467 3.428 20 0 CGADHO C[C@@H]([C@H](C)[NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000422831653 371832449 /nfs/dbraw/zinc/83/24/49/371832449.db2.gz XASVAJGQSZMTFZ-OFQRWUPVSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCOC1CCCC1 ZINC000422830449 371832913 /nfs/dbraw/zinc/83/29/13/371832913.db2.gz RDLOJAAMXZWLPY-HZPDHXFCSA-N 1 3 282.472 3.236 20 0 CGADHO CO[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422779776 371801386 /nfs/dbraw/zinc/80/13/86/371801386.db2.gz GNGBTLLRWSFONB-FVQBIDKESA-N 1 3 296.842 3.135 20 0 CGADHO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422783134 371802650 /nfs/dbraw/zinc/80/26/50/371802650.db2.gz KRBQZBRDLPCEKS-FCLJQHQZSA-N 1 3 258.409 3.256 20 0 CGADHO CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C(C)(C)c1ccccc1 ZINC000422781532 371803578 /nfs/dbraw/zinc/80/35/78/371803578.db2.gz KWGJJKDKKWFSAL-FMKPAKJESA-N 1 3 262.441 3.458 20 0 CGADHO COc1ccc([C@H](N[C@H](C)C[C@H](C)[NH3+])C(C)C)cc1 ZINC000422780569 371804278 /nfs/dbraw/zinc/80/42/78/371804278.db2.gz HRPRIEJLBDLJPP-WOSRLPQWSA-N 1 3 264.413 3.108 20 0 CGADHO COc1cc(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1C ZINC000422790664 371811728 /nfs/dbraw/zinc/81/17/28/371811728.db2.gz VDXHBBLZOPIJNQ-QZTJIDSGSA-N 1 3 296.414 3.281 20 0 CGADHO CC(C)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422812822 371825474 /nfs/dbraw/zinc/82/54/74/371825474.db2.gz RATUGTSPZKTQQW-XIRDDKMYSA-N 1 3 260.425 3.014 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422864795 371844975 /nfs/dbraw/zinc/84/49/75/371844975.db2.gz WCJHIOLGERZVCL-RDJZCZTQSA-N 1 3 274.452 3.250 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000422873616 371848129 /nfs/dbraw/zinc/84/81/29/371848129.db2.gz ATDASHOOXUDNCE-HZPDHXFCSA-N 1 3 298.430 3.481 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875183 371848839 /nfs/dbraw/zinc/84/88/39/371848839.db2.gz CDXQPSWEBLDXSR-KGLIPLIRSA-N 1 3 270.779 3.229 20 0 CGADHO COc1cccc(C2(C[NH2+][C@H](C)C[C@H](C)N)CCCC2)c1 ZINC000422887192 371855343 /nfs/dbraw/zinc/85/53/43/371855343.db2.gz KILGPYCVPGZMIY-LSDHHAIUSA-N 1 3 290.451 3.222 20 0 CGADHO COc1cccc(C2(CN[C@H](C)C[C@H](C)[NH3+])CCCC2)c1 ZINC000422887192 371855354 /nfs/dbraw/zinc/85/53/54/371855354.db2.gz KILGPYCVPGZMIY-LSDHHAIUSA-N 1 3 290.451 3.222 20 0 CGADHO COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)C[C@H](C)N ZINC000422947173 371885993 /nfs/dbraw/zinc/88/59/93/371885993.db2.gz PYJRYPBRKCQYRW-HZSPNIEDSA-N 1 3 296.480 3.139 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422917099 371867765 /nfs/dbraw/zinc/86/77/65/371867765.db2.gz FNGOMSKQUGJUIZ-ZBFHGGJFSA-N 1 3 272.392 3.082 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1cc2ccccc2o1 ZINC000422917099 371867771 /nfs/dbraw/zinc/86/77/71/371867771.db2.gz FNGOMSKQUGJUIZ-ZBFHGGJFSA-N 1 3 272.392 3.082 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(COc2ccccc2)cc1 ZINC000422925766 371874399 /nfs/dbraw/zinc/87/43/99/371874399.db2.gz BRJINIQDNNYKIU-CVEARBPZSA-N 1 3 298.430 3.481 20 0 CGADHO Cc1cccc(C)c1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422925781 371875619 /nfs/dbraw/zinc/87/56/19/371875619.db2.gz BSMAQSAFRILVMI-SJORKVTESA-N 1 3 260.425 3.096 20 0 CGADHO Cc1cccc(C)c1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422933760 371879459 /nfs/dbraw/zinc/87/94/59/371879459.db2.gz DRZXWUVZQRJFDW-HNNXBMFYSA-N 1 3 297.446 3.359 20 0 CGADHO C[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)N(C)c1ccccc1 ZINC000422853790 371839970 /nfs/dbraw/zinc/83/99/70/371839970.db2.gz CHBHCHCAHIPLEV-ZMYBRWDISA-N 1 3 295.430 3.246 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423052849 371936262 /nfs/dbraw/zinc/93/62/62/371936262.db2.gz QPHPBXKNXHTNTB-XJNFMUPTSA-N 1 3 290.451 3.086 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423052849 371936268 /nfs/dbraw/zinc/93/62/68/371936268.db2.gz QPHPBXKNXHTNTB-XJNFMUPTSA-N 1 3 290.451 3.086 20 0 CGADHO COCCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCCCC1 ZINC000423060412 371939627 /nfs/dbraw/zinc/93/96/27/371939627.db2.gz ICRSAZNNJCAHRT-JKSUJKDBSA-N 1 3 282.472 3.081 20 0 CGADHO Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422947882 371887313 /nfs/dbraw/zinc/88/73/13/371887313.db2.gz QQVQUTCVBUAHBF-MOPGFXCFSA-N 1 3 296.414 3.417 20 0 CGADHO Cc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422984180 371901701 /nfs/dbraw/zinc/90/17/01/371901701.db2.gz XJJXFQAKPORMQX-CQSZACIVSA-N 1 3 283.419 3.050 20 0 CGADHO CCCOc1cccc(CCN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422988560 371902920 /nfs/dbraw/zinc/90/29/20/371902920.db2.gz JGPDUSPFSAKWAC-MSOLQXFVSA-N 1 3 290.451 3.268 20 0 CGADHO Cc1c(C)c(C)c(CN[C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1C ZINC000422994476 371906178 /nfs/dbraw/zinc/90/61/78/371906178.db2.gz HUHWUQWBJDUGGY-DLBZAZTESA-N 1 3 274.452 3.316 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422993340 371906285 /nfs/dbraw/zinc/90/62/85/371906285.db2.gz FNGVFZIMSYPNGR-IAGOWNOFSA-N 1 3 272.436 3.116 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423007038 371912917 /nfs/dbraw/zinc/91/29/17/371912917.db2.gz XBIRSYROBQGUBS-MELADBBJSA-N 1 3 266.454 3.273 20 0 CGADHO CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000423007038 371912920 /nfs/dbraw/zinc/91/29/20/371912920.db2.gz XBIRSYROBQGUBS-MELADBBJSA-N 1 3 266.454 3.273 20 0 CGADHO C[C@H](CCCC[NH3+])NC1(c2ccc(F)cc2F)CCC1 ZINC000423032059 371925331 /nfs/dbraw/zinc/92/53/31/371925331.db2.gz VMAWTICQNVIIQX-GFCCVEGCSA-N 1 3 282.378 3.451 20 0 CGADHO N[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC2)c2ccccc21 ZINC000423048747 371933964 /nfs/dbraw/zinc/93/39/64/371933964.db2.gz IQNIDJZTHLCWDE-ROUUACIJSA-N 1 3 278.399 3.496 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095609 371960668 /nfs/dbraw/zinc/96/06/68/371960668.db2.gz FSPPSSJLNOKDFN-ITSCGTHASA-N 1 3 284.806 3.441 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423095609 371960675 /nfs/dbraw/zinc/96/06/75/371960675.db2.gz FSPPSSJLNOKDFN-ITSCGTHASA-N 1 3 284.806 3.441 20 0 CGADHO CSc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423097277 371961527 /nfs/dbraw/zinc/96/15/27/371961527.db2.gz QPMRYWWELROJSB-HOTGVXAUSA-N 1 3 278.465 3.201 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353135 371970422 /nfs/dbraw/zinc/97/04/22/371970422.db2.gz GETOCYGKABTDJD-YJBOKZPZSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353135 371970427 /nfs/dbraw/zinc/97/04/27/371970427.db2.gz GETOCYGKABTDJD-YJBOKZPZSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353132 371970795 /nfs/dbraw/zinc/97/07/95/371970795.db2.gz GETOCYGKABTDJD-MAUKXSAKSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353132 371970805 /nfs/dbraw/zinc/97/08/05/371970805.db2.gz GETOCYGKABTDJD-MAUKXSAKSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc2sccc2c1 ZINC000423120493 371976894 /nfs/dbraw/zinc/97/68/94/371976894.db2.gz GWHGGYZKZBYOTG-IUODEOHRSA-N 1 3 274.433 3.379 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423127636 371980172 /nfs/dbraw/zinc/98/01/72/371980172.db2.gz JUPOYPBCAKOZAD-MUIFIZLQSA-N 1 3 276.399 3.179 20 0 CGADHO COCC(C)(C)CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423131467 371982450 /nfs/dbraw/zinc/98/24/50/371982450.db2.gz SXKZIEBJZCVMDQ-HZPDHXFCSA-N 1 3 276.424 3.174 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423132037 371983332 /nfs/dbraw/zinc/98/33/32/371983332.db2.gz ISSRTRJTUKRCKM-UKRRQHHQSA-N 1 3 274.433 3.161 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1cc2ccccc2s1 ZINC000423132037 371983340 /nfs/dbraw/zinc/98/33/40/371983340.db2.gz ISSRTRJTUKRCKM-UKRRQHHQSA-N 1 3 274.433 3.161 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423132038 371983419 /nfs/dbraw/zinc/98/34/19/371983419.db2.gz ISSRTRJTUKRCKM-ZFWWWQNUSA-N 1 3 274.433 3.161 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1cc2ccccc2s1 ZINC000423132038 371983425 /nfs/dbraw/zinc/98/34/25/371983425.db2.gz ISSRTRJTUKRCKM-ZFWWWQNUSA-N 1 3 274.433 3.161 20 0 CGADHO Cc1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000423134683 371985486 /nfs/dbraw/zinc/98/54/86/371985486.db2.gz DWLJKLHCCILFLG-YIONKMFJSA-N 1 3 278.827 3.064 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2c(F)cccc21 ZINC000423144507 371990601 /nfs/dbraw/zinc/99/06/01/371990601.db2.gz HGQDFJMGEDMYDA-AFAVFJNCSA-N 1 3 276.399 3.310 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454544 371991378 /nfs/dbraw/zinc/99/13/78/371991378.db2.gz MMNCFCUARGXXJF-RDJZCZTQSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454544 371991379 /nfs/dbraw/zinc/99/13/79/371991379.db2.gz MMNCFCUARGXXJF-RDJZCZTQSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000423149988 371992811 /nfs/dbraw/zinc/99/28/11/371992811.db2.gz YJLTWDLSYNDTAG-JLZZUVOBSA-N 1 3 276.399 3.181 20 0 CGADHO C[C@H](NCC1([NH3+])CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423175174 372003599 /nfs/dbraw/zinc/00/35/99/372003599.db2.gz DJPDPDVNLRNSFM-XIRDDKMYSA-N 1 3 272.436 3.430 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cs1 ZINC000156978295 372003165 /nfs/dbraw/zinc/00/31/65/372003165.db2.gz NPEBBMRTQVGIOV-VNHYZAJKSA-N 1 3 295.496 3.127 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cs1 ZINC000156978295 372003167 /nfs/dbraw/zinc/00/31/67/372003167.db2.gz NPEBBMRTQVGIOV-VNHYZAJKSA-N 1 3 295.496 3.127 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000423081105 371952118 /nfs/dbraw/zinc/95/21/18/371952118.db2.gz BEHDUJRDGGSZAD-KBRIMQKVSA-N 1 3 276.399 3.310 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423089794 371956510 /nfs/dbraw/zinc/95/65/10/371956510.db2.gz WAPZURVWFRIMBK-SIUPPRGNSA-N 1 3 290.426 3.440 20 0 CGADHO Cc1c2ccccc2n(C)c1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423088603 371956702 /nfs/dbraw/zinc/95/67/02/371956702.db2.gz SJARXKNVVBIRHO-GOEBONIOSA-N 1 3 285.435 3.094 20 0 CGADHO CNCCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423198996 372023603 /nfs/dbraw/zinc/02/36/03/372023603.db2.gz JAHJEEJUAVBTGX-UKRRQHHQSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423198996 372023607 /nfs/dbraw/zinc/02/36/07/372023607.db2.gz JAHJEEJUAVBTGX-UKRRQHHQSA-N 1 3 266.816 3.175 20 0 CGADHO C[NH2+]CCCN[C@H](c1ccccc1C)C1CCCC1 ZINC000423200517 372024802 /nfs/dbraw/zinc/02/48/02/372024802.db2.gz MHQIJEALSJXSLD-KRWDZBQOSA-N 1 3 260.425 3.425 20 0 CGADHO CNCCC[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000423200517 372024807 /nfs/dbraw/zinc/02/48/07/372024807.db2.gz MHQIJEALSJXSLD-KRWDZBQOSA-N 1 3 260.425 3.425 20 0 CGADHO CCO[C@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000344158607 217079067 /nfs/dbraw/zinc/07/90/67/217079067.db2.gz CDZLSCPXORRMEM-SJORKVTESA-N 1 3 296.499 3.433 20 0 CGADHO C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCCNC1 ZINC000423209858 372031961 /nfs/dbraw/zinc/03/19/61/372031961.db2.gz FMSUHFRWEAWKOX-LCMLCXGQSA-N 1 3 294.483 3.235 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423395364 372060958 /nfs/dbraw/zinc/06/09/58/372060958.db2.gz SPNZKQCLGPCJAS-NYTXWWLZSA-N 1 3 258.409 3.273 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423222028 372039841 /nfs/dbraw/zinc/03/98/41/372039841.db2.gz ZGLMDAZNAURMFC-IAVJCBSLSA-N 1 3 272.436 3.156 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](c1cccs1)C1CCCC1 ZINC000423267843 372046055 /nfs/dbraw/zinc/04/60/55/372046055.db2.gz FKIWRBWQOGXECM-SWLSCSKDSA-N 1 3 266.454 3.425 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000423291119 372047673 /nfs/dbraw/zinc/04/76/73/372047673.db2.gz GVWGVXYBMKFZHO-BLLLJJGKSA-N 1 3 270.376 3.467 20 0 CGADHO COc1ccccc1[C@H]([NH2+]C[C@@H](N)C1CC1)C1CCCC1 ZINC000423319681 372051561 /nfs/dbraw/zinc/05/15/61/372051561.db2.gz LWQLUBZPXKBHSL-SJLPKXTDSA-N 1 3 288.435 3.253 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423374430 372055425 /nfs/dbraw/zinc/05/54/25/372055425.db2.gz SVOMOGHQEFQIID-WFTWPBCJSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CCN1 ZINC000423368434 372055691 /nfs/dbraw/zinc/05/56/91/372055691.db2.gz AXIMLHVSICIJFT-HKUMRIAESA-N 1 3 264.438 3.417 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423384089 372058732 /nfs/dbraw/zinc/05/87/32/372058732.db2.gz PWXVCKUWELGLAM-DCGLDWPTSA-N 1 3 288.435 3.148 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423384091 372058843 /nfs/dbraw/zinc/05/88/43/372058843.db2.gz PWXVCKUWELGLAM-IGCXYCKISA-N 1 3 288.435 3.148 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000423174130 372005318 /nfs/dbraw/zinc/00/53/18/372005318.db2.gz BJHYARGLQQYLNK-CBBWQLFWSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000423176872 372007121 /nfs/dbraw/zinc/00/71/21/372007121.db2.gz IEUZAZWEAOJRAX-HNNXBMFYSA-N 1 3 298.434 3.185 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424299857 372081381 /nfs/dbraw/zinc/08/13/81/372081381.db2.gz WAHRESYLMDHIKL-CYBMUJFWSA-N 1 3 278.827 3.304 20 0 CGADHO CC(C)OCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158870866 372088819 /nfs/dbraw/zinc/08/88/19/372088819.db2.gz COEFKULUWLKLOR-KRWDZBQOSA-N 1 3 296.499 3.388 20 0 CGADHO CC(C)OCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158870866 372088824 /nfs/dbraw/zinc/08/88/24/372088824.db2.gz COEFKULUWLKLOR-KRWDZBQOSA-N 1 3 296.499 3.388 20 0 CGADHO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000044725806 541873686 /nfs/dbraw/zinc/87/36/86/541873686.db2.gz KGWZFVCWUYLISE-ZDUSSCGKSA-N 1 3 267.376 3.192 20 0 CGADHO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000044725806 541873688 /nfs/dbraw/zinc/87/36/88/541873688.db2.gz KGWZFVCWUYLISE-ZDUSSCGKSA-N 1 3 267.376 3.192 20 0 CGADHO C[C@H]1CN(CCCSc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000430929955 372407037 /nfs/dbraw/zinc/40/70/37/372407037.db2.gz YRWSIKGZTUHTKO-JSGCOSHPSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1nccc2ccccc21)CN(C)C ZINC000293364249 372365923 /nfs/dbraw/zinc/36/59/23/372365923.db2.gz HORQVIZFVOCCIJ-ZIAGYGMSSA-N 1 3 271.408 3.083 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2C)C1 ZINC000163231285 372455531 /nfs/dbraw/zinc/45/55/31/372455531.db2.gz CHWVYIRYHLASJU-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C)c2C)C1 ZINC000163231285 372455538 /nfs/dbraw/zinc/45/55/38/372455538.db2.gz CHWVYIRYHLASJU-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C)c2C)C1 ZINC000163231285 372455546 /nfs/dbraw/zinc/45/55/46/372455546.db2.gz CHWVYIRYHLASJU-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000163222626 372456136 /nfs/dbraw/zinc/45/61/36/372456136.db2.gz KHCKSYIPTYLDQK-IYOUNJFTSA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000163222626 372456141 /nfs/dbraw/zinc/45/61/41/372456141.db2.gz KHCKSYIPTYLDQK-IYOUNJFTSA-N 1 3 290.426 3.381 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)C1 ZINC000163222626 372456147 /nfs/dbraw/zinc/45/61/47/372456147.db2.gz KHCKSYIPTYLDQK-IYOUNJFTSA-N 1 3 290.426 3.381 20 0 CGADHO Cc1cncc([C@@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000293808530 372489035 /nfs/dbraw/zinc/48/90/35/372489035.db2.gz VNVBXXIEBUIBNY-MRXNPFEDSA-N 1 3 275.440 3.307 20 0 CGADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000166151816 372566248 /nfs/dbraw/zinc/56/62/48/372566248.db2.gz PGFNHGZDILQJNP-IAGOWNOFSA-N 1 3 294.483 3.044 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000166170069 372566603 /nfs/dbraw/zinc/56/66/03/372566603.db2.gz SUTZCWUNQCQAMQ-UHFFFAOYSA-N 1 3 280.481 3.477 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166353877 372572540 /nfs/dbraw/zinc/57/25/40/372572540.db2.gz UFPFOZOLPKNBSO-VXGBXAGGSA-N 1 3 284.856 3.160 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166353877 372572545 /nfs/dbraw/zinc/57/25/45/372572545.db2.gz UFPFOZOLPKNBSO-VXGBXAGGSA-N 1 3 284.856 3.160 20 0 CGADHO Cc1cc(OCCN2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C(C)C ZINC000168683950 372616879 /nfs/dbraw/zinc/61/68/79/372616879.db2.gz GMZSWVOOKLRXSO-CVEARBPZSA-N 1 3 290.451 3.166 20 0 CGADHO CCSc1cccc(CN2CCC(C[NH2+]C)CC2)c1 ZINC000435374034 372753621 /nfs/dbraw/zinc/75/36/21/372753621.db2.gz PKCMCGHRMFUJJP-UHFFFAOYSA-N 1 3 278.465 3.230 20 0 CGADHO Cc1ccccc1CCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000435623541 372787852 /nfs/dbraw/zinc/78/78/52/372787852.db2.gz HHXFDBFNYMJURS-KRWDZBQOSA-N 1 3 260.425 3.002 20 0 CGADHO Cc1ccccc1CCC[N@H+](C)[C@H]1CCCNCC1 ZINC000435623541 372787866 /nfs/dbraw/zinc/78/78/66/372787866.db2.gz HHXFDBFNYMJURS-KRWDZBQOSA-N 1 3 260.425 3.002 20 0 CGADHO Cc1ccccc1CCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435623541 372787877 /nfs/dbraw/zinc/78/78/77/372787877.db2.gz HHXFDBFNYMJURS-KRWDZBQOSA-N 1 3 260.425 3.002 20 0 CGADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCNC ZINC000435872249 372820543 /nfs/dbraw/zinc/82/05/43/372820543.db2.gz XQEDSKKATMRWLK-SJORKVTESA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCNC ZINC000435872249 372820550 /nfs/dbraw/zinc/82/05/50/372820550.db2.gz XQEDSKKATMRWLK-SJORKVTESA-N 1 3 260.425 3.254 20 0 CGADHO C[NH2+]CCCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000435881623 372823124 /nfs/dbraw/zinc/82/31/24/372823124.db2.gz VRRHSHLAWXQIGX-DLBZAZTESA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000435881623 372823131 /nfs/dbraw/zinc/82/31/31/372823131.db2.gz VRRHSHLAWXQIGX-DLBZAZTESA-N 1 3 260.425 3.172 20 0 CGADHO CNCCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000435881623 372823144 /nfs/dbraw/zinc/82/31/44/372823144.db2.gz VRRHSHLAWXQIGX-DLBZAZTESA-N 1 3 260.425 3.172 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353462803 220099225 /nfs/dbraw/zinc/09/92/25/220099225.db2.gz PIAHMSWPJKOFRC-DJIMGWMZSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353462803 220099227 /nfs/dbraw/zinc/09/92/27/220099227.db2.gz PIAHMSWPJKOFRC-DJIMGWMZSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353462803 220099229 /nfs/dbraw/zinc/09/92/29/220099229.db2.gz PIAHMSWPJKOFRC-DJIMGWMZSA-N 1 3 276.399 3.097 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](CC)c1ccsc1 ZINC000296229715 373059275 /nfs/dbraw/zinc/05/92/75/373059275.db2.gz AKKMPHBAYQGBPU-HUUCEWRRSA-N 1 3 284.469 3.146 20 0 CGADHO C[C@@H]1CCC[C@H](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000442754225 373072995 /nfs/dbraw/zinc/07/29/95/373072995.db2.gz HVCSHRMPYUFZHM-DNLWUEFJSA-N 1 3 264.457 3.418 20 0 CGADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(SC)cc1 ZINC000173318088 373123997 /nfs/dbraw/zinc/12/39/97/373123997.db2.gz CCOIOJAICIKKSW-CQSZACIVSA-N 1 3 296.480 3.027 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(SC)cc1 ZINC000173318088 373124000 /nfs/dbraw/zinc/12/40/00/373124000.db2.gz CCOIOJAICIKKSW-CQSZACIVSA-N 1 3 296.480 3.027 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000442918073 373128732 /nfs/dbraw/zinc/12/87/32/373128732.db2.gz BWBPDUVLNJNUEW-LBPRGKRZSA-N 1 3 276.355 3.133 20 0 CGADHO Cc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000296545795 373170775 /nfs/dbraw/zinc/17/07/75/373170775.db2.gz UCPKECBKSFVNGX-KBPBESRZSA-N 1 3 296.480 3.036 20 0 CGADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443055741 373146485 /nfs/dbraw/zinc/14/64/85/373146485.db2.gz BOIQFCHYQVRTGB-GJZGRUSLSA-N 1 3 299.418 3.463 20 0 CGADHO CCc1ccccc1CC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000444634401 373216928 /nfs/dbraw/zinc/21/69/28/373216928.db2.gz ALPUEDHJZRDELI-INIZCTEOSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000444634401 373216938 /nfs/dbraw/zinc/21/69/38/373216938.db2.gz ALPUEDHJZRDELI-INIZCTEOSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccccc1CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000444651418 373220779 /nfs/dbraw/zinc/22/07/79/373220779.db2.gz GLDJSHSAZDZGTF-KRWDZBQOSA-N 1 3 286.463 3.209 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CCc2ccccc2CC)C1 ZINC000444652739 373222604 /nfs/dbraw/zinc/22/26/04/373222604.db2.gz SKIRUVSWTFGAHR-KRWDZBQOSA-N 1 3 288.479 3.455 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CCc2ccccc2CC)C1 ZINC000444652739 373222608 /nfs/dbraw/zinc/22/26/08/373222608.db2.gz SKIRUVSWTFGAHR-KRWDZBQOSA-N 1 3 288.479 3.455 20 0 CGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccsc1 ZINC000296644229 373206854 /nfs/dbraw/zinc/20/68/54/373206854.db2.gz CZPMMMJYJAHFHO-AWEZNQCLSA-N 1 3 250.411 3.051 20 0 CGADHO Cc1cc(C)cc(C[N@@H+](C)CC[C@H]2CCCN2C)c1 ZINC000444693874 373238941 /nfs/dbraw/zinc/23/89/41/373238941.db2.gz ATAMOUDNKSTFNA-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@H+](C)CC[C@H]2CCCN2C)c1 ZINC000444693874 373238945 /nfs/dbraw/zinc/23/89/45/373238945.db2.gz ATAMOUDNKSTFNA-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO COC[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCCC1 ZINC000446741930 373353768 /nfs/dbraw/zinc/35/37/68/373353768.db2.gz CVLJQXVNYUSIMI-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO CCc1ccc([C@@H](C)NCC2(SC)CC[NH+](C)CC2)o1 ZINC000353626952 220203050 /nfs/dbraw/zinc/20/30/50/220203050.db2.gz VHKQOZHGWSHAIN-CYBMUJFWSA-N 1 3 296.480 3.320 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000300454404 373636268 /nfs/dbraw/zinc/63/62/68/373636268.db2.gz ONJFPVVHLYCPLE-AEFFLSMTSA-N 1 3 274.452 3.358 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000178427153 373776876 /nfs/dbraw/zinc/77/68/76/373776876.db2.gz VGLGASVXXCNEOW-SOLBZPMBSA-N 1 3 294.483 3.046 20 0 CGADHO CC/C=C/C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449451868 373734756 /nfs/dbraw/zinc/73/47/56/373734756.db2.gz DQSICBUBBVPWMU-LOGPRUAHSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C/CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449451868 373734766 /nfs/dbraw/zinc/73/47/66/373734766.db2.gz DQSICBUBBVPWMU-LOGPRUAHSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C/CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451868 373734774 /nfs/dbraw/zinc/73/47/74/373734774.db2.gz DQSICBUBBVPWMU-LOGPRUAHSA-N 1 3 272.436 3.453 20 0 CGADHO Cc1cccc(C(C)(C)NCCC[NH+]2CCCC2)c1 ZINC000179591494 373890195 /nfs/dbraw/zinc/89/01/95/373890195.db2.gz RSFAJEPEAHDNTJ-UHFFFAOYSA-N 1 3 260.425 3.306 20 0 CGADHO Cc1cc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccn1 ZINC000302574841 373897946 /nfs/dbraw/zinc/89/79/46/373897946.db2.gz QPLXCLUFQMTWGZ-QGZVFWFLSA-N 1 3 287.451 3.338 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccoc1 ZINC000179469078 373876801 /nfs/dbraw/zinc/87/68/01/373876801.db2.gz JULDNSAQZCVELK-AWEZNQCLSA-N 1 3 285.391 3.242 20 0 CGADHO c1cc(N2CCC(C[NH2+]C[C@@H]3CC=CCC3)CC2)ccn1 ZINC000180276211 373986928 /nfs/dbraw/zinc/98/69/28/373986928.db2.gz MACUJKYIZOZCSH-MRXNPFEDSA-N 1 3 285.435 3.244 20 0 CGADHO CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccn1 ZINC000450366326 374084321 /nfs/dbraw/zinc/08/43/21/374084321.db2.gz UHAHAQDXBVZMMC-WBVHZDCISA-N 1 3 273.424 3.096 20 0 CGADHO CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccn1 ZINC000450366326 374084329 /nfs/dbraw/zinc/08/43/29/374084329.db2.gz UHAHAQDXBVZMMC-WBVHZDCISA-N 1 3 273.424 3.096 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000181688981 374156154 /nfs/dbraw/zinc/15/61/54/374156154.db2.gz WTSDUFGPYPIJMS-UHFFFAOYSA-N 1 3 250.430 3.339 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1Br ZINC000310121233 374208587 /nfs/dbraw/zinc/20/85/87/374208587.db2.gz ICTCWNMJXPZLTL-NSHDSACASA-N 1 3 299.256 3.045 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1c(F)cccc1F ZINC000310940783 374229516 /nfs/dbraw/zinc/22/95/16/374229516.db2.gz WOGXJMKVFFPPBN-GHMZBOCLSA-N 1 3 256.340 3.133 20 0 CGADHO CCC1([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000453291491 374395177 /nfs/dbraw/zinc/39/51/77/374395177.db2.gz NIJMHTNAEJSOPV-UHFFFAOYSA-N 1 3 250.430 3.316 20 0 CGADHO CCC1(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000453291491 374395184 /nfs/dbraw/zinc/39/51/84/374395184.db2.gz NIJMHTNAEJSOPV-UHFFFAOYSA-N 1 3 250.430 3.316 20 0 CGADHO C[C@@H](CC(=O)OC(C)(C)C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000183676132 374440302 /nfs/dbraw/zinc/44/03/02/374440302.db2.gz XLJWJXQPLZKEHZ-LBPRGKRZSA-N 1 3 298.471 3.006 20 0 CGADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000183676132 374440307 /nfs/dbraw/zinc/44/03/07/374440307.db2.gz XLJWJXQPLZKEHZ-LBPRGKRZSA-N 1 3 298.471 3.006 20 0 CGADHO CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(F)cn1 ZINC000453357090 374446260 /nfs/dbraw/zinc/44/62/60/374446260.db2.gz PMTHXDDSAFJNHJ-BTFYYFJDSA-N 1 3 291.414 3.133 20 0 CGADHO FC(F)(F)[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000088432620 541948557 /nfs/dbraw/zinc/94/85/57/541948557.db2.gz JKFHTCNALQSRMG-CYBMUJFWSA-N 1 3 278.362 3.041 20 0 CGADHO CC(C)C1(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000090230915 541957296 /nfs/dbraw/zinc/95/72/96/541957296.db2.gz LAPKIPCSLPQAMD-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185666655 374707998 /nfs/dbraw/zinc/70/79/98/374707998.db2.gz XRSCQMAQZAZVNB-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528220 541987332 /nfs/dbraw/zinc/98/73/32/541987332.db2.gz GWAGZXQAVXMWGB-CXAGYDPISA-N 1 3 258.409 3.266 20 0 CGADHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528220 541987336 /nfs/dbraw/zinc/98/73/36/541987336.db2.gz GWAGZXQAVXMWGB-CXAGYDPISA-N 1 3 258.409 3.266 20 0 CGADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)cs1 ZINC000334629804 374922815 /nfs/dbraw/zinc/92/28/15/374922815.db2.gz WTBHEJOCHNQJQY-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)cs1 ZINC000334629804 374922818 /nfs/dbraw/zinc/92/28/18/374922818.db2.gz WTBHEJOCHNQJQY-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO Cc1cc(CN2CCCC23CC[NH+](C)CC3)cs1 ZINC000334629804 374922822 /nfs/dbraw/zinc/92/28/22/374922822.db2.gz WTBHEJOCHNQJQY-UHFFFAOYSA-N 1 3 264.438 3.117 20 0 CGADHO c1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000335022774 375077310 /nfs/dbraw/zinc/07/73/10/375077310.db2.gz GJFKYUWNANIIGR-PKOBYXMFSA-N 1 3 294.398 3.032 20 0 CGADHO CC[C@H](C)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000187723980 375081097 /nfs/dbraw/zinc/08/10/97/375081097.db2.gz VGVMTWMCQMWAMM-HNNXBMFYSA-N 1 3 275.440 3.418 20 0 CGADHO CC[C@H](C)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000187723980 375081104 /nfs/dbraw/zinc/08/11/04/375081104.db2.gz VGVMTWMCQMWAMM-HNNXBMFYSA-N 1 3 275.440 3.418 20 0 CGADHO CCc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000189565492 375412808 /nfs/dbraw/zinc/41/28/08/375412808.db2.gz YONOIXFXBSVUEZ-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000189565492 375412817 /nfs/dbraw/zinc/41/28/17/375412817.db2.gz YONOIXFXBSVUEZ-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000189565492 375412824 /nfs/dbraw/zinc/41/28/24/375412824.db2.gz YONOIXFXBSVUEZ-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000189565492 375412831 /nfs/dbraw/zinc/41/28/31/375412831.db2.gz YONOIXFXBSVUEZ-MSOLQXFVSA-N 1 3 272.436 3.165 20 0 CGADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc2c1CCNC2 ZINC000124015556 542030446 /nfs/dbraw/zinc/03/04/46/542030446.db2.gz RAZINHMLOOVMJD-CZUORRHYSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc2c1CCNC2 ZINC000124015556 542030450 /nfs/dbraw/zinc/03/04/50/542030450.db2.gz RAZINHMLOOVMJD-CZUORRHYSA-N 1 3 258.409 3.095 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1coc2ccccc12 ZINC000336396702 375788511 /nfs/dbraw/zinc/78/85/11/375788511.db2.gz USWLPVOAZSMZCV-CZUORRHYSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1coc2ccccc12 ZINC000336396702 375788513 /nfs/dbraw/zinc/78/85/13/375788513.db2.gz USWLPVOAZSMZCV-CZUORRHYSA-N 1 3 272.392 3.205 20 0 CGADHO CC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000520478831 375858766 /nfs/dbraw/zinc/85/87/66/375858766.db2.gz OEJSQARCCQUYBA-UHFFFAOYSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000131369083 542070290 /nfs/dbraw/zinc/07/02/90/542070290.db2.gz STTWAAKSLLRSKK-WMZOPIPTSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@@H](c1ccccc1Cl)N1CCC2(CC[NH2+]C2)CC1 ZINC000431016022 296238388 /nfs/dbraw/zinc/23/83/88/296238388.db2.gz YFZZCEIVESBGMA-ZDUSSCGKSA-N 1 3 278.827 3.477 20 0 CGADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051056 376016865 /nfs/dbraw/zinc/01/68/65/376016865.db2.gz UDQWKFUUKFCVII-SJLPKXTDSA-N 1 3 272.436 3.480 20 0 CGADHO CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051056 376016872 /nfs/dbraw/zinc/01/68/72/376016872.db2.gz UDQWKFUUKFCVII-SJLPKXTDSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000195136554 376082198 /nfs/dbraw/zinc/08/21/98/376082198.db2.gz NZFHEIXVHNJLOF-NVXWUHKLSA-N 1 3 284.403 3.452 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536856592 376136631 /nfs/dbraw/zinc/13/66/31/376136631.db2.gz GQCPBLXULCMGJC-ZJPYXAASSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCCC2(C)C)C[C@H](C)O1 ZINC000536858984 376136745 /nfs/dbraw/zinc/13/67/45/376136745.db2.gz SHQFSVHOIKRYBS-BBWFWOEESA-N 1 3 296.499 3.434 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000537619490 376183402 /nfs/dbraw/zinc/18/34/02/376183402.db2.gz FUAAJCGOLWXDKH-UHOSZYNNSA-N 1 3 286.463 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000537619490 376183404 /nfs/dbraw/zinc/18/34/04/376183404.db2.gz FUAAJCGOLWXDKH-UHOSZYNNSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000537619490 376183408 /nfs/dbraw/zinc/18/34/08/376183408.db2.gz FUAAJCGOLWXDKH-UHOSZYNNSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000537619490 376183411 /nfs/dbraw/zinc/18/34/11/376183411.db2.gz FUAAJCGOLWXDKH-UHOSZYNNSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337375591 376215360 /nfs/dbraw/zinc/21/53/60/376215360.db2.gz ADUFQTPDTOEGLM-BZUAXINKSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000221917098 376223545 /nfs/dbraw/zinc/22/35/45/376223545.db2.gz OYALDLXOTQAEGU-CYBMUJFWSA-N 1 3 254.443 3.437 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H](C)Cc2ccsc2)CC1 ZINC000221941855 376226514 /nfs/dbraw/zinc/22/65/14/376226514.db2.gz DAYUEMFRCVHQGR-CQSZACIVSA-N 1 3 280.481 3.389 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000226313048 376349572 /nfs/dbraw/zinc/34/95/72/376349572.db2.gz DAXIHXZFSLTAHI-INIZCTEOSA-N 1 3 262.441 3.328 20 0 CGADHO CCC[C@@H](C)N(C)CC1(C[N@H+](C)[C@H](C)CCC)COC1 ZINC000541070054 376418101 /nfs/dbraw/zinc/41/81/01/376418101.db2.gz DNHXNAZAHIEGPL-HZPDHXFCSA-N 1 3 284.488 3.244 20 0 CGADHO CCC[C@@H](C)N(C)CC1(C[N@@H+](C)[C@H](C)CCC)COC1 ZINC000541070054 376418102 /nfs/dbraw/zinc/41/81/02/376418102.db2.gz DNHXNAZAHIEGPL-HZPDHXFCSA-N 1 3 284.488 3.244 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918678 376375800 /nfs/dbraw/zinc/37/58/00/376375800.db2.gz KVCFFHFJCREFSL-DYVFJYSZSA-N 1 3 276.399 3.208 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918678 376375808 /nfs/dbraw/zinc/37/58/08/376375808.db2.gz KVCFFHFJCREFSL-DYVFJYSZSA-N 1 3 276.399 3.208 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918678 376375813 /nfs/dbraw/zinc/37/58/13/376375813.db2.gz KVCFFHFJCREFSL-DYVFJYSZSA-N 1 3 276.399 3.208 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000227329709 376389602 /nfs/dbraw/zinc/38/96/02/376389602.db2.gz HKLIUEUOABAHGT-UKRRQHHQSA-N 1 3 276.424 3.225 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000229623319 376467555 /nfs/dbraw/zinc/46/75/55/376467555.db2.gz VSRYBKDZXGALMO-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338778920 376527857 /nfs/dbraw/zinc/52/78/57/376527857.db2.gz FUGYJKGNHYYSNU-HOTGVXAUSA-N 1 3 264.457 3.418 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(Cl)cc1 ZINC000544573075 376747493 /nfs/dbraw/zinc/74/74/93/376747493.db2.gz RWPIMSUGTSBFHD-CQSZACIVSA-N 1 3 298.858 3.349 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046869 376956260 /nfs/dbraw/zinc/95/62/60/376956260.db2.gz XRYFCPHCBKXVPO-IIDMSEBBSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046869 376956268 /nfs/dbraw/zinc/95/62/68/376956268.db2.gz XRYFCPHCBKXVPO-IIDMSEBBSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC000246046869 376956280 /nfs/dbraw/zinc/95/62/80/376956280.db2.gz XRYFCPHCBKXVPO-IIDMSEBBSA-N 1 3 272.436 3.160 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000246555854 377052309 /nfs/dbraw/zinc/05/23/09/377052309.db2.gz WTSSXGUCNCBEAR-HRCADAONSA-N 1 3 254.462 3.379 20 0 CGADHO COc1cccc([C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000246471916 377037570 /nfs/dbraw/zinc/03/75/70/377037570.db2.gz GXQLLHKPHNIPGT-CABCVRRESA-N 1 3 276.424 3.030 20 0 CGADHO COc1cccc([C@@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000246471916 377037580 /nfs/dbraw/zinc/03/75/80/377037580.db2.gz GXQLLHKPHNIPGT-CABCVRRESA-N 1 3 276.424 3.030 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1C ZINC000246594508 377057539 /nfs/dbraw/zinc/05/75/39/377057539.db2.gz ZRMXOJFHEYAFHJ-YESZJQIVSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1C ZINC000246594508 377057544 /nfs/dbraw/zinc/05/75/44/377057544.db2.gz ZRMXOJFHEYAFHJ-YESZJQIVSA-N 1 3 290.451 3.225 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2coc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000340453984 377067498 /nfs/dbraw/zinc/06/74/98/377067498.db2.gz SSSBPILBOPBSFK-IKGGRYGDSA-N 1 3 284.403 3.395 20 0 CGADHO C[N@H+]1CC[C@H](NCc2coc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000340453984 377067508 /nfs/dbraw/zinc/06/75/08/377067508.db2.gz SSSBPILBOPBSFK-IKGGRYGDSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000340453984 377067515 /nfs/dbraw/zinc/06/75/15/377067515.db2.gz SSSBPILBOPBSFK-IKGGRYGDSA-N 1 3 284.403 3.395 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000340464300 377073674 /nfs/dbraw/zinc/07/36/74/377073674.db2.gz SOUPDAZOXYKRRZ-DZKIICNBSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000340464300 377073686 /nfs/dbraw/zinc/07/36/86/377073686.db2.gz SOUPDAZOXYKRRZ-DZKIICNBSA-N 1 3 270.436 3.367 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768511 377084588 /nfs/dbraw/zinc/08/45/88/377084588.db2.gz QJIUNUJISQWLOK-SUMWQHHRSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246768511 377084597 /nfs/dbraw/zinc/08/45/97/377084597.db2.gz QJIUNUJISQWLOK-SUMWQHHRSA-N 1 3 296.405 3.169 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000560243210 377133028 /nfs/dbraw/zinc/13/30/28/377133028.db2.gz BRXJASDZHXXPIT-DJIMGWMZSA-N 1 3 290.451 3.162 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CCCC2)C1 ZINC000247132315 377165661 /nfs/dbraw/zinc/16/56/61/377165661.db2.gz VOTOTXDTYQOYTP-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247127680 377165694 /nfs/dbraw/zinc/16/56/94/377165694.db2.gz QCQVZHXRIFGHAM-GFOCRRMGSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000247127680 377165703 /nfs/dbraw/zinc/16/57/03/377165703.db2.gz QCQVZHXRIFGHAM-GFOCRRMGSA-N 1 3 272.436 3.382 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000247474942 377209451 /nfs/dbraw/zinc/20/94/51/377209451.db2.gz SXFPEXSZPRFNTP-JKSUJKDBSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000247474942 377209462 /nfs/dbraw/zinc/20/94/62/377209462.db2.gz SXFPEXSZPRFNTP-JKSUJKDBSA-N 1 3 290.451 3.043 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000037644375 249002690 /nfs/dbraw/zinc/00/26/90/249002690.db2.gz TVUMKXWCONIDAS-WLYUNCDWSA-N 1 3 276.399 3.003 20 0 CGADHO CC[N@@H+]1CC[C@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000037644375 249002692 /nfs/dbraw/zinc/00/26/92/249002692.db2.gz TVUMKXWCONIDAS-WLYUNCDWSA-N 1 3 276.399 3.003 20 0 CGADHO CC[N@H+]1CC[C@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000037644375 249002695 /nfs/dbraw/zinc/00/26/95/249002695.db2.gz TVUMKXWCONIDAS-WLYUNCDWSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000166739272 542175457 /nfs/dbraw/zinc/17/54/57/542175457.db2.gz AMBQDOVDUFUROC-BPLDGKMQSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1F ZINC000166739272 542175461 /nfs/dbraw/zinc/17/54/61/542175461.db2.gz AMBQDOVDUFUROC-BPLDGKMQSA-N 1 3 294.389 3.285 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422904447 249127510 /nfs/dbraw/zinc/12/75/10/249127510.db2.gz QATNTQHBJAFEFF-BXUZGUMPSA-N 1 3 276.355 3.097 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000414915865 249124165 /nfs/dbraw/zinc/12/41/65/249124165.db2.gz NIQVAYJCSSKBDU-ZJPYXAASSA-N 1 3 272.436 3.257 20 0 CGADHO CC(C)C[C@H]1CCCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000469987248 249165193 /nfs/dbraw/zinc/16/51/93/249165193.db2.gz MMBZTAFTHIJILR-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)C[C@H]1CCCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000469987248 249165196 /nfs/dbraw/zinc/16/51/96/249165196.db2.gz MMBZTAFTHIJILR-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251095753 377573780 /nfs/dbraw/zinc/57/37/80/377573780.db2.gz LKFNZKMDZUZWSE-HYVNUMGLSA-N 1 3 260.425 3.115 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215314 249229066 /nfs/dbraw/zinc/22/90/66/249229066.db2.gz PBXGIADDNVUNSB-RNIPGJKVSA-N 1 3 286.463 3.499 20 0 CGADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)c2c(c1)NCCC2 ZINC000516423660 249233896 /nfs/dbraw/zinc/23/38/96/249233896.db2.gz IGIYTXUSNATGIV-UHFFFAOYSA-N 1 3 299.462 3.009 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000251690876 377595643 /nfs/dbraw/zinc/59/56/43/377595643.db2.gz AUXYUDVOQPNKPQ-LYYZXLFJSA-N 1 3 252.446 3.307 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000251748293 377598426 /nfs/dbraw/zinc/59/84/26/377598426.db2.gz DBAUQCGJKJOPND-QKPAOTATSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@@H]1C ZINC000251946483 377607349 /nfs/dbraw/zinc/60/73/49/377607349.db2.gz WKQHSYRVVUZZFO-SUJAAXHWSA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253199662 377680116 /nfs/dbraw/zinc/68/01/16/377680116.db2.gz WOLWMBAXTNVAAY-DUVNUKRYSA-N 1 3 264.388 3.194 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000575195751 377760838 /nfs/dbraw/zinc/76/08/38/377760838.db2.gz UIBZJZHGZSYHNR-CHWSQXEVSA-N 1 3 296.817 3.370 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000261694436 377840158 /nfs/dbraw/zinc/84/01/58/377840158.db2.gz HZJVFLYLCDUDFH-KEYYUXOJSA-N 1 3 276.424 3.122 20 0 CGADHO Cc1ccc([C@@H](C)N(C)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000261574746 377820828 /nfs/dbraw/zinc/82/08/28/377820828.db2.gz XPNOXJNJGWAFNA-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCCNC2)c(C)c1 ZINC000261574746 377820831 /nfs/dbraw/zinc/82/08/31/377820831.db2.gz XPNOXJNJGWAFNA-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCCNC2)c(C)c1 ZINC000261574746 377820836 /nfs/dbraw/zinc/82/08/36/377820836.db2.gz XPNOXJNJGWAFNA-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCc1ccc2ccccc2c1 ZINC000261592615 377823618 /nfs/dbraw/zinc/82/36/18/377823618.db2.gz MLOIRPJBQJZIAM-QGZVFWFLSA-N 1 3 256.393 3.303 20 0 CGADHO Cc1ccccc1C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261625718 377827965 /nfs/dbraw/zinc/82/79/65/377827965.db2.gz DLQPEPJEXSIJSL-MOPGFXCFSA-N 1 3 280.415 3.169 20 0 CGADHO Cc1ccccc1C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261625718 377827971 /nfs/dbraw/zinc/82/79/71/377827971.db2.gz DLQPEPJEXSIJSL-MOPGFXCFSA-N 1 3 280.415 3.169 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)CC12CCCCC2 ZINC000261648416 377833205 /nfs/dbraw/zinc/83/32/05/377833205.db2.gz AWUPHXBUQADUJL-HZPDHXFCSA-N 1 3 264.457 3.278 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)CC12CCCCC2 ZINC000261648416 377833211 /nfs/dbraw/zinc/83/32/11/377833211.db2.gz AWUPHXBUQADUJL-HZPDHXFCSA-N 1 3 264.457 3.278 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000342937737 377866541 /nfs/dbraw/zinc/86/65/41/377866541.db2.gz ILBTWOXGWIUMBO-KRWDZBQOSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000342937737 377866547 /nfs/dbraw/zinc/86/65/47/377866547.db2.gz ILBTWOXGWIUMBO-KRWDZBQOSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000342937737 377866554 /nfs/dbraw/zinc/86/65/54/377866554.db2.gz ILBTWOXGWIUMBO-KRWDZBQOSA-N 1 3 272.436 3.221 20 0 CGADHO c1ccc([C@@H]2CCCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261933403 377869624 /nfs/dbraw/zinc/86/96/24/377869624.db2.gz LVCXTXXQTONJQT-WBVHZDCISA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000261933403 377869627 /nfs/dbraw/zinc/86/96/27/377869627.db2.gz LVCXTXXQTONJQT-WBVHZDCISA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000261933403 377869630 /nfs/dbraw/zinc/86/96/30/377869630.db2.gz LVCXTXXQTONJQT-WBVHZDCISA-N 1 3 258.409 3.213 20 0 CGADHO COc1ccc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC000262490831 377898143 /nfs/dbraw/zinc/89/81/43/377898143.db2.gz KZURQEHVGOPFJD-UHOSZYNNSA-N 1 3 296.414 3.018 20 0 CGADHO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C2 ZINC000262044265 377882542 /nfs/dbraw/zinc/88/25/42/377882542.db2.gz CDOHSDGRQSNNTN-ZGXWSNOMSA-N 1 3 298.474 3.444 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000262136208 377887962 /nfs/dbraw/zinc/88/79/62/377887962.db2.gz YSQFDDWYMZCFCQ-GOEBONIOSA-N 1 3 278.465 3.122 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCSCc1ccccc1 ZINC000262136208 377887969 /nfs/dbraw/zinc/88/79/69/377887969.db2.gz YSQFDDWYMZCFCQ-GOEBONIOSA-N 1 3 278.465 3.122 20 0 CGADHO Cc1ccc([C@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137855 377888120 /nfs/dbraw/zinc/88/81/20/377888120.db2.gz YVWGDTWJQZOMCU-WMZOPIPTSA-N 1 3 272.436 3.092 20 0 CGADHO COc1ccc2cc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2c1 ZINC000262490833 377899173 /nfs/dbraw/zinc/89/91/73/377899173.db2.gz KZURQEHVGOPFJD-WDSOQIARSA-N 1 3 296.414 3.018 20 0 CGADHO C[C@@]1(CN2CCC[C@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769183 377850805 /nfs/dbraw/zinc/85/08/05/377850805.db2.gz MLNWTDMVMAINFN-ZWKOTPCHSA-N 1 3 272.436 3.083 20 0 CGADHO Cc1cc(F)cc([C@]2(F)CCN(CC3CC[NH2+]CC3)C2)c1 ZINC000261797858 377855862 /nfs/dbraw/zinc/85/58/62/377855862.db2.gz OXXLSEOKXAREOJ-KRWDZBQOSA-N 1 3 294.389 3.004 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000343624610 378045274 /nfs/dbraw/zinc/04/52/74/378045274.db2.gz QVDJWZGJNXGNBI-QZTJIDSGSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000577899292 378021383 /nfs/dbraw/zinc/02/13/83/378021383.db2.gz OTBCCJXBHZJIIQ-GOEBONIOSA-N 1 3 290.451 3.324 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893496 378145657 /nfs/dbraw/zinc/14/56/57/378145657.db2.gz DPEVYKWSXCJKOR-LPHOPBHVSA-N 1 3 297.446 3.168 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893496 378145660 /nfs/dbraw/zinc/14/56/60/378145660.db2.gz DPEVYKWSXCJKOR-LPHOPBHVSA-N 1 3 297.446 3.168 20 0 CGADHO C[C@@H]1CSC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695298 378184421 /nfs/dbraw/zinc/18/44/21/378184421.db2.gz ODGADTUNCRVLMM-TXCZRRACSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@@H]1CSC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695298 378184425 /nfs/dbraw/zinc/18/44/25/378184425.db2.gz ODGADTUNCRVLMM-TXCZRRACSA-N 1 3 296.524 3.371 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000345372565 378270317 /nfs/dbraw/zinc/27/03/17/378270317.db2.gz QCAYCLNMKUNRMZ-CQSZACIVSA-N 1 3 266.404 3.249 20 0 CGADHO CC(C)[N@H+](C)CCCNC[C@@H](C)c1ccc(F)cc1 ZINC000345372565 378270319 /nfs/dbraw/zinc/27/03/19/378270319.db2.gz QCAYCLNMKUNRMZ-CQSZACIVSA-N 1 3 266.404 3.249 20 0 CGADHO CC(C)[N@@H+](C)CCCNC[C@@H](C)c1ccc(F)cc1 ZINC000345372565 378270326 /nfs/dbraw/zinc/27/03/26/378270326.db2.gz QCAYCLNMKUNRMZ-CQSZACIVSA-N 1 3 266.404 3.249 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054706 378281385 /nfs/dbraw/zinc/28/13/85/378281385.db2.gz AJTPTKGAUBKLOO-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3ncccc3c2)C1 ZINC000582054706 378281387 /nfs/dbraw/zinc/28/13/87/378281387.db2.gz AJTPTKGAUBKLOO-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054706 378281388 /nfs/dbraw/zinc/28/13/88/378281388.db2.gz AJTPTKGAUBKLOO-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3ncccc3c2)C1 ZINC000582054706 378281389 /nfs/dbraw/zinc/28/13/89/378281389.db2.gz AJTPTKGAUBKLOO-MJGOQNOKSA-N 1 3 295.430 3.151 20 0 CGADHO CC[N@H+](Cc1ccc2c(c1)CNCC2)[C@@H](C)C(C)C ZINC000583569849 378331969 /nfs/dbraw/zinc/33/19/69/378331969.db2.gz PXOPHWDDHCQFDQ-AWEZNQCLSA-N 1 3 260.425 3.199 20 0 CGADHO CC[N@@H+](Cc1ccc2c(c1)CNCC2)[C@@H](C)C(C)C ZINC000583569849 378331972 /nfs/dbraw/zinc/33/19/72/378331972.db2.gz PXOPHWDDHCQFDQ-AWEZNQCLSA-N 1 3 260.425 3.199 20 0 CGADHO CCc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000583816929 378348224 /nfs/dbraw/zinc/34/82/24/378348224.db2.gz PXUVWGQRDXDLBK-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000583816929 378348230 /nfs/dbraw/zinc/34/82/30/378348230.db2.gz PXUVWGQRDXDLBK-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000583816929 378348234 /nfs/dbraw/zinc/34/82/34/378348234.db2.gz PXUVWGQRDXDLBK-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000583816929 378348239 /nfs/dbraw/zinc/34/82/39/378348239.db2.gz PXUVWGQRDXDLBK-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346458394 378583985 /nfs/dbraw/zinc/58/39/85/378583985.db2.gz LUOOWFAKOJTIBJ-MRXNPFEDSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1cc2cc(CN3CC[C@H]([C@@H](C)[NH3+])C3)oc2cc1C ZINC000346652553 378663532 /nfs/dbraw/zinc/66/35/32/378663532.db2.gz HKUOYGAXRMMAJB-KGLIPLIRSA-N 1 3 272.392 3.219 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000347952065 378737531 /nfs/dbraw/zinc/73/75/31/378737531.db2.gz JUBOLRIJMVEXHA-BQFCYCMXSA-N 1 3 294.483 3.188 20 0 CGADHO COCC[N@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1ccccc1 ZINC000348079037 378781224 /nfs/dbraw/zinc/78/12/24/378781224.db2.gz PYZLRZRTTMYIKI-WMZOPIPTSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[N@@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1ccccc1 ZINC000348079037 378781231 /nfs/dbraw/zinc/78/12/31/378781231.db2.gz PYZLRZRTTMYIKI-WMZOPIPTSA-N 1 3 290.451 3.180 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000638381875 378786357 /nfs/dbraw/zinc/78/63/57/378786357.db2.gz PSAMRQOGNSFZIB-CGTJXYLNSA-N 1 3 272.436 3.112 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346834898 218030460 /nfs/dbraw/zinc/03/04/60/218030460.db2.gz NIXIBBVBEVWRIL-QAPCUYQASA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346834898 218030462 /nfs/dbraw/zinc/03/04/62/218030462.db2.gz NIXIBBVBEVWRIL-QAPCUYQASA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346834898 218030463 /nfs/dbraw/zinc/03/04/63/218030463.db2.gz NIXIBBVBEVWRIL-QAPCUYQASA-N 1 3 288.435 3.222 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@](C)(c2ccccc2)C1 ZINC000348254452 378867045 /nfs/dbraw/zinc/86/70/45/378867045.db2.gz DYZUJMMSFREYDG-ZWKOTPCHSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@](C)(c2ccccc2)C1 ZINC000348254452 378867049 /nfs/dbraw/zinc/86/70/49/378867049.db2.gz DYZUJMMSFREYDG-ZWKOTPCHSA-N 1 3 272.436 3.134 20 0 CGADHO CC(C)O[C@@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000638837939 378931887 /nfs/dbraw/zinc/93/18/87/378931887.db2.gz AXSIBAHZBLPGSY-SFHVURJKSA-N 1 3 288.435 3.004 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638848578 378935491 /nfs/dbraw/zinc/93/54/91/378935491.db2.gz HRQVPPUAVFGKOL-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000347060944 218107184 /nfs/dbraw/zinc/10/71/84/218107184.db2.gz YGOPFXCQJNFDSO-JSGCOSHPSA-N 1 3 274.433 3.461 20 0 CGADHO Cc1scc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000639106214 379029624 /nfs/dbraw/zinc/02/96/24/379029624.db2.gz XCMGGMYRTDUMHJ-OAHLLOKOSA-N 1 3 266.454 3.281 20 0 CGADHO Cc1scc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000639106214 379029630 /nfs/dbraw/zinc/02/96/30/379029630.db2.gz XCMGGMYRTDUMHJ-OAHLLOKOSA-N 1 3 266.454 3.281 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H](N(C)C)CC2)cc1C ZINC000277061145 379057972 /nfs/dbraw/zinc/05/79/72/379057972.db2.gz DCYQYDJZTFWBJS-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1C ZINC000277061145 379057977 /nfs/dbraw/zinc/05/79/77/379057977.db2.gz DCYQYDJZTFWBJS-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO CC(C)[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000372065060 379189131 /nfs/dbraw/zinc/18/91/31/379189131.db2.gz ATLMTPOLXXLPTN-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000372065060 379189139 /nfs/dbraw/zinc/18/91/39/379189139.db2.gz ATLMTPOLXXLPTN-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1sccc1C ZINC000349413907 379273236 /nfs/dbraw/zinc/27/32/36/379273236.db2.gz GASDMUOYNBAFHA-UHFFFAOYSA-N 1 3 266.454 3.364 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1sccc1C ZINC000349413907 379273242 /nfs/dbraw/zinc/27/32/42/379273242.db2.gz GASDMUOYNBAFHA-UHFFFAOYSA-N 1 3 266.454 3.364 20 0 CGADHO Cc1ccc([C@@H](NCC2=CC[N@H+](C)CC2)C2CCC2)o1 ZINC000349779930 379380782 /nfs/dbraw/zinc/38/07/82/379380782.db2.gz BCISWNLUMNBECL-KRWDZBQOSA-N 1 3 274.408 3.281 20 0 CGADHO Cc1ccc([C@@H](NCC2=CC[N@@H+](C)CC2)C2CCC2)o1 ZINC000349779930 379380790 /nfs/dbraw/zinc/38/07/90/379380790.db2.gz BCISWNLUMNBECL-KRWDZBQOSA-N 1 3 274.408 3.281 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CCC12CCOCC2)C(C)C ZINC000374379135 379432555 /nfs/dbraw/zinc/43/25/55/379432555.db2.gz UZYOZKWLKXIPNJ-INIZCTEOSA-N 1 3 282.472 3.044 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683512 379545954 /nfs/dbraw/zinc/54/59/54/379545954.db2.gz IOUGUISQMJVQJO-LJQANCHMSA-N 1 3 293.414 3.281 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683512 379545959 /nfs/dbraw/zinc/54/59/59/379545959.db2.gz IOUGUISQMJVQJO-LJQANCHMSA-N 1 3 293.414 3.281 20 0 CGADHO CC[C@H](C)C[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000376729991 379596204 /nfs/dbraw/zinc/59/62/04/379596204.db2.gz UWZLTAFNFJTBJD-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H](C[N@H+](C)CC[C@H]1CCCN1C)c1ccccc1 ZINC000409445692 380032898 /nfs/dbraw/zinc/03/28/98/380032898.db2.gz HJRDQJULMOAVAL-DOTOQJQBSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@@H](C[N@@H+](C)CC[C@H]1CCCN1C)c1ccccc1 ZINC000409445692 380032905 /nfs/dbraw/zinc/03/29/05/380032905.db2.gz HJRDQJULMOAVAL-DOTOQJQBSA-N 1 3 260.425 3.206 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CCO1 ZINC000352972962 380061090 /nfs/dbraw/zinc/06/10/90/380061090.db2.gz ZMCUZIOEDCJRPD-MHORFTMASA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000352972962 380061096 /nfs/dbraw/zinc/06/10/96/380061096.db2.gz ZMCUZIOEDCJRPD-MHORFTMASA-N 1 3 294.483 3.187 20 0 CGADHO CCC(CC)[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000352972962 380061103 /nfs/dbraw/zinc/06/11/03/380061103.db2.gz ZMCUZIOEDCJRPD-MHORFTMASA-N 1 3 294.483 3.187 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CCCCC2CCOCC2)C1 ZINC000410390882 380090000 /nfs/dbraw/zinc/09/00/00/380090000.db2.gz QVJQLCSFKOSOHW-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000410390882 380090005 /nfs/dbraw/zinc/09/00/05/380090005.db2.gz QVJQLCSFKOSOHW-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410390882 380090011 /nfs/dbraw/zinc/09/00/11/380090011.db2.gz QVJQLCSFKOSOHW-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000410387880 380090090 /nfs/dbraw/zinc/09/00/90/380090090.db2.gz OMAGFRQSCMCCOJ-IRXDYDNUSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000410387880 380090101 /nfs/dbraw/zinc/09/01/01/380090101.db2.gz OMAGFRQSCMCCOJ-IRXDYDNUSA-N 1 3 266.473 3.476 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000410393518 380092345 /nfs/dbraw/zinc/09/23/45/380092345.db2.gz WQENBGJQRMVYFH-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000410393518 380092350 /nfs/dbraw/zinc/09/23/50/380092350.db2.gz WQENBGJQRMVYFH-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410393518 380092355 /nfs/dbraw/zinc/09/23/55/380092355.db2.gz WQENBGJQRMVYFH-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000410393518 380092364 /nfs/dbraw/zinc/09/23/64/380092364.db2.gz WQENBGJQRMVYFH-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc2n[nH]cc2c1 ZINC000353198262 380163934 /nfs/dbraw/zinc/16/39/34/380163934.db2.gz ZAAMSOKRFFUVEJ-AWEZNQCLSA-N 1 3 286.423 3.090 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945739 380247744 /nfs/dbraw/zinc/24/77/44/380247744.db2.gz BZYKFXRZSJOYJV-GRYCIOLGSA-N 1 3 278.362 3.037 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1(C(F)(F)F)CCC1 ZINC000353945739 380247747 /nfs/dbraw/zinc/24/77/47/380247747.db2.gz BZYKFXRZSJOYJV-GRYCIOLGSA-N 1 3 278.362 3.037 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1C(C)(C)C1(C)C ZINC000353928773 380241186 /nfs/dbraw/zinc/24/11/86/380241186.db2.gz LNCLLZVBZRYTSX-IHRRRGAJSA-N 1 3 264.457 3.274 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN1)c1cc2c(s1)CCC2 ZINC000643502137 380324179 /nfs/dbraw/zinc/32/41/79/380324179.db2.gz YBFRGYXECZHFDA-WCQYABFASA-N 1 3 264.438 3.030 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCNCC1 ZINC000643521755 380336958 /nfs/dbraw/zinc/33/69/58/380336958.db2.gz BFSGAIAMBQNFAP-SWLSCSKDSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)N[C@@H]1CCC[NH2+]CC1 ZINC000643521755 380336966 /nfs/dbraw/zinc/33/69/66/380336966.db2.gz BFSGAIAMBQNFAP-SWLSCSKDSA-N 1 3 282.378 3.018 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000643503388 380326178 /nfs/dbraw/zinc/32/61/78/380326178.db2.gz KVAKXVJMMXGIJF-HZSPNIEDSA-N 1 3 266.454 3.047 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354106977 380326281 /nfs/dbraw/zinc/32/62/81/380326281.db2.gz NJTSQWWLXUBKDF-CGTJXYLNSA-N 1 3 272.436 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354106977 380326285 /nfs/dbraw/zinc/32/62/85/380326285.db2.gz NJTSQWWLXUBKDF-CGTJXYLNSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354106977 380326287 /nfs/dbraw/zinc/32/62/87/380326287.db2.gz NJTSQWWLXUBKDF-CGTJXYLNSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000354106977 380326290 /nfs/dbraw/zinc/32/62/90/380326290.db2.gz NJTSQWWLXUBKDF-CGTJXYLNSA-N 1 3 272.436 3.064 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643521847 380337218 /nfs/dbraw/zinc/33/72/18/380337218.db2.gz DIRIUBCRDJFSNM-FMKPAKJESA-N 1 3 258.409 3.275 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cnn(C2CCCC2)c1 ZINC000643512364 380333366 /nfs/dbraw/zinc/33/33/66/380333366.db2.gz QBMMQOVLUYHPBD-VBQJREDUSA-N 1 3 290.455 3.166 20 0 CGADHO Cc1cc(C)c([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1C ZINC000643521466 380335468 /nfs/dbraw/zinc/33/54/68/380335468.db2.gz JGEDTLSFJBPUAM-CVEARBPZSA-N 1 3 260.425 3.405 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000643427670 380305735 /nfs/dbraw/zinc/30/57/35/380305735.db2.gz VFMAQCGAHWAKDQ-HBUWYVDXSA-N 1 3 283.419 3.040 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205268 380363595 /nfs/dbraw/zinc/36/35/95/380363595.db2.gz HTCVQNCREUJFAE-DLBZAZTESA-N 1 3 290.451 3.260 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccccc2)C[C@@H]1C ZINC000354205268 380363599 /nfs/dbraw/zinc/36/35/99/380363599.db2.gz HTCVQNCREUJFAE-DLBZAZTESA-N 1 3 290.451 3.260 20 0 CGADHO c1ccc([C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C2CC2)cc1 ZINC000643548501 380365259 /nfs/dbraw/zinc/36/52/59/380365259.db2.gz QFHCVGILONPAGV-IRXDYDNUSA-N 1 3 270.420 3.402 20 0 CGADHO c1ccc([C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643548501 380365264 /nfs/dbraw/zinc/36/52/64/380365264.db2.gz QFHCVGILONPAGV-IRXDYDNUSA-N 1 3 270.420 3.402 20 0 CGADHO C[C@H]1C[C@@H](CN2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699297 380379784 /nfs/dbraw/zinc/37/97/84/380379784.db2.gz FBKRGROYUVMCGS-GJZGRUSLSA-N 1 3 282.497 3.126 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000643524190 380340904 /nfs/dbraw/zinc/34/09/04/380340904.db2.gz UTMUZBOEMXFNLK-WCQGTBRESA-N 1 3 270.779 3.400 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000643528529 380345376 /nfs/dbraw/zinc/34/53/76/380345376.db2.gz KQKRRNRHCPCUTG-ZJUUUORDSA-N 1 3 274.380 3.042 20 0 CGADHO C[C@H]1C[C@H](N[C@@H]2CC23CC[NH2+]CC3)c2ccsc2S1 ZINC000643534914 380351235 /nfs/dbraw/zinc/35/12/35/380351235.db2.gz FOYYYVMFQVDTNL-WCFLWFBJSA-N 1 3 294.489 3.405 20 0 CGADHO c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546181 380359439 /nfs/dbraw/zinc/35/94/39/380359439.db2.gz JZHYCNPONOSRTF-TZMCWYRMSA-N 1 3 276.449 3.390 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546124 380360091 /nfs/dbraw/zinc/36/00/91/380360091.db2.gz IUXFULBNWWUSMW-OWCLPIDISA-N 1 3 264.457 3.466 20 0 CGADHO c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643547344 380361360 /nfs/dbraw/zinc/36/13/60/380361360.db2.gz DBKQWEUIXBICLN-BPQIPLTHSA-N 1 3 299.462 3.372 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)c2ccccc21 ZINC000643547791 380362853 /nfs/dbraw/zinc/36/28/53/380362853.db2.gz JAPRIZQMDGKPKT-CKEIUWERSA-N 1 3 270.420 3.499 20 0 CGADHO C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCCC13CCCC3)CCN2 ZINC000643547363 380363019 /nfs/dbraw/zinc/36/30/19/380363019.db2.gz DISCGLYIFHWYEJ-LSDHHAIUSA-N 1 3 262.441 3.364 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414813557 380424630 /nfs/dbraw/zinc/42/46/30/380424630.db2.gz UAASDBPBHNEXET-HZPDHXFCSA-N 1 3 260.425 3.430 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(F)cc1 ZINC000414814950 380426130 /nfs/dbraw/zinc/42/61/30/380426130.db2.gz ZPNHWCCUKMVNDQ-XPKDYRNWSA-N 1 3 264.388 3.036 20 0 CGADHO COc1cccc(CNCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414814677 380426785 /nfs/dbraw/zinc/42/67/85/380426785.db2.gz VWNJDIOBTAAZJH-ZDUSSCGKSA-N 1 3 270.376 3.005 20 0 CGADHO c1cc(-c2ccccc2)oc1CNCC[C@H]1CC[NH2+]C1 ZINC000414824984 380433465 /nfs/dbraw/zinc/43/34/65/380433465.db2.gz BOKYFXOUADYQDY-CQSZACIVSA-N 1 3 270.376 3.036 20 0 CGADHO C[C@H]([NH3+])CCNCc1ccc(-c2ccccc2)s1 ZINC000414825355 380433755 /nfs/dbraw/zinc/43/37/55/380433755.db2.gz SHUQYYQKRZXDOE-LBPRGKRZSA-N 1 3 260.406 3.242 20 0 CGADHO CCC[C@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000414834035 380442235 /nfs/dbraw/zinc/44/22/35/380442235.db2.gz SJINIAAQHLKHBH-NVXWUHKLSA-N 1 3 260.425 3.160 20 0 CGADHO Fc1cc(Cl)ccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780857 380401289 /nfs/dbraw/zinc/40/12/89/380401289.db2.gz MBGKBPKTWJNYAF-STQMWFEESA-N 1 3 296.817 3.301 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414793046 380408562 /nfs/dbraw/zinc/40/85/62/380408562.db2.gz JQVZOGNMZASQRJ-FZMZJTMJSA-N 1 3 288.357 3.209 20 0 CGADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000414794870 380409456 /nfs/dbraw/zinc/40/94/56/380409456.db2.gz GAHAASSFINDYGA-LESCRADOSA-N 1 3 290.451 3.123 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000414800043 380412704 /nfs/dbraw/zinc/41/27/04/380412704.db2.gz KNEMEKRXYBXXPY-HZPDHXFCSA-N 1 3 278.465 3.027 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc2cc(F)ccc2o1 ZINC000414803848 380416202 /nfs/dbraw/zinc/41/62/02/380416202.db2.gz OIJXPKIIEJCUAB-NHYWBVRUSA-N 1 3 276.355 3.179 20 0 CGADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1SC ZINC000414811068 380422367 /nfs/dbraw/zinc/42/23/67/380422367.db2.gz WARNROIMSKFFQJ-KBPBESRZSA-N 1 3 294.464 3.024 20 0 CGADHO CCCC[C@H](CN)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414810320 380422436 /nfs/dbraw/zinc/42/24/36/380422436.db2.gz HVOFETKXWIAEJT-CQSZACIVSA-N 1 3 289.448 3.417 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000414907929 380486234 /nfs/dbraw/zinc/48/62/34/380486234.db2.gz CAUGEZMFRZVFSN-YESZJQIVSA-N 1 3 258.409 3.054 20 0 CGADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000414925145 380491338 /nfs/dbraw/zinc/49/13/38/380491338.db2.gz LAUCYOMTFIBEBX-QWHCGFSZSA-N 1 3 297.240 3.117 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCC(C(C)(C)C)CC2)CCN1 ZINC000414944866 380500303 /nfs/dbraw/zinc/50/03/03/380500303.db2.gz HLMSBQVJBSDTMA-XSCHDIRWSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)[C@@H](CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000415138064 380509244 /nfs/dbraw/zinc/50/92/44/380509244.db2.gz GJJLTIYSOVHWRH-DJIMGWMZSA-N 1 3 260.425 3.156 20 0 CGADHO NC1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CCCCCC1 ZINC000414858028 380459629 /nfs/dbraw/zinc/45/96/29/380459629.db2.gz HMBKGOIXBXUEAN-UHFFFAOYSA-N 1 3 298.434 3.014 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)NCC1([NH3+])CCCCCC1 ZINC000414857936 380460005 /nfs/dbraw/zinc/46/00/05/380460005.db2.gz GRZJZZQKMDRHCH-CQSZACIVSA-N 1 3 278.415 3.398 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414864510 380463518 /nfs/dbraw/zinc/46/35/18/380463518.db2.gz YQTZWHPDOGSFRL-COXVUDFISA-N 1 3 276.399 3.051 20 0 CGADHO C[C@@H](NCc1csc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000414863856 380463814 /nfs/dbraw/zinc/46/38/14/380463814.db2.gz YIHULSGAZXECED-CHWSQXEVSA-N 1 3 274.433 3.379 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](C)CN ZINC000414880957 380472439 /nfs/dbraw/zinc/47/24/39/380472439.db2.gz RLNKSYMWOLWUKY-ZWNOBZJWSA-N 1 3 289.250 3.499 20 0 CGADHO CCCCCOc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000414880365 380472995 /nfs/dbraw/zinc/47/29/95/380472995.db2.gz JQAYMVQNMMTFLF-UHFFFAOYSA-N 1 3 276.424 3.227 20 0 CGADHO C[C@@H](CCN)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414896967 380477330 /nfs/dbraw/zinc/47/73/30/380477330.db2.gz QILBUCFHPCPNKO-UQPPLGOBSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)C[C@H](CNC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000414894670 380477555 /nfs/dbraw/zinc/47/75/55/380477555.db2.gz UHSQMLRACKWNDS-SJORKVTESA-N 1 3 260.425 3.143 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414900591 380479922 /nfs/dbraw/zinc/47/99/22/380479922.db2.gz DXMILHCUGPJWPW-XJKSGUPXSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414900591 380479931 /nfs/dbraw/zinc/47/99/31/380479931.db2.gz DXMILHCUGPJWPW-XJKSGUPXSA-N 1 3 280.843 3.250 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000414907926 380483690 /nfs/dbraw/zinc/48/36/90/380483690.db2.gz CAUGEZMFRZVFSN-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC45CC5)[C@H]3C2)cc1 ZINC000417345277 380602343 /nfs/dbraw/zinc/60/23/43/380602343.db2.gz XLTOFLZBPIBJBM-VJANTYMQSA-N 1 3 296.458 3.287 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CC23CC3)CC1 ZINC000417366532 380610840 /nfs/dbraw/zinc/61/08/40/380610840.db2.gz OWRWFGBUNQDCQO-INMHGKMJSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CC23CC3)CC1 ZINC000417366532 380610849 /nfs/dbraw/zinc/61/08/49/380610849.db2.gz OWRWFGBUNQDCQO-INMHGKMJSA-N 1 3 276.468 3.419 20 0 CGADHO Cc1ccccc1C1([NH2+]CC[C@H]2CCCN2C)CC1 ZINC000645980418 380791069 /nfs/dbraw/zinc/79/10/69/380791069.db2.gz FZJCIYWGEKIFKP-OAHLLOKOSA-N 1 3 258.409 3.058 20 0 CGADHO C[C@@H](c1ccccc1)N(CCOCC[NH3+])Cc1ccccc1 ZINC000357029496 381000486 /nfs/dbraw/zinc/00/04/86/381000486.db2.gz NIADOXQKVMVTPK-KRWDZBQOSA-N 1 3 298.430 3.225 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2c1C ZINC000334781895 207066656 /nfs/dbraw/zinc/06/66/56/207066656.db2.gz SNTAPBXPDVDSTQ-YVEFUNNKSA-N 1 3 285.435 3.215 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2c1C ZINC000334781895 207066660 /nfs/dbraw/zinc/06/66/60/207066660.db2.gz SNTAPBXPDVDSTQ-YVEFUNNKSA-N 1 3 285.435 3.215 20 0 CGADHO CSc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000423396781 533005648 /nfs/dbraw/zinc/00/56/48/533005648.db2.gz SOCRVFJVLUPGRZ-DRZSPHRISA-N 1 3 282.428 3.468 20 0 CGADHO CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425930520 533056473 /nfs/dbraw/zinc/05/64/73/533056473.db2.gz IMGORZKOPKAGCK-QWHCGFSZSA-N 1 3 266.454 3.257 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)cc1 ZINC000422816567 533175839 /nfs/dbraw/zinc/17/58/39/533175839.db2.gz ATPTZBUQMBWBTC-DLTWYDFYSA-N 1 3 290.451 3.165 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000310768599 542428737 /nfs/dbraw/zinc/42/87/37/542428737.db2.gz SIVIROZLUZENEK-LVQVYYBASA-N 1 3 250.430 3.029 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C(C)C)cc1 ZINC000423400453 533199143 /nfs/dbraw/zinc/19/91/43/533199143.db2.gz VKIQVHWKAXJICU-ZMSDIMECSA-N 1 3 276.424 3.252 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348108662 542515587 /nfs/dbraw/zinc/51/55/87/542515587.db2.gz SHIURCKNIQAXBM-DLBZAZTESA-N 1 3 258.409 3.026 20 0 CGADHO C[C@@H](CCN1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000348271790 542517781 /nfs/dbraw/zinc/51/77/81/542517781.db2.gz AHVMVHXJNGSILQ-INIZCTEOSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000348271790 542517786 /nfs/dbraw/zinc/51/77/86/542517786.db2.gz AHVMVHXJNGSILQ-INIZCTEOSA-N 1 3 252.446 3.229 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423271305 533300217 /nfs/dbraw/zinc/30/02/17/533300217.db2.gz IWCJWRMZBMECGX-JCGIZDLHSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1CN)CCC2 ZINC000423271305 533300218 /nfs/dbraw/zinc/30/02/18/533300218.db2.gz IWCJWRMZBMECGX-JCGIZDLHSA-N 1 3 288.435 3.180 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000423310707 533429258 /nfs/dbraw/zinc/42/92/58/533429258.db2.gz AUXASQXUJSQIMD-WBMJQRKESA-N 1 3 260.425 3.372 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423327733 533438880 /nfs/dbraw/zinc/43/88/80/533438880.db2.gz DFWXIQMZQZPYSV-LAVFITLUSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC(C)(C)CO)CC1 ZINC000449406440 533607722 /nfs/dbraw/zinc/60/77/22/533607722.db2.gz AULRAMDBHPATIF-NVXWUHKLSA-N 1 3 296.499 3.028 20 0 CGADHO c1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000383590303 542600416 /nfs/dbraw/zinc/60/04/16/542600416.db2.gz RDKAVOVFFXBYDA-UHFFFAOYSA-N 1 3 292.426 3.497 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392197933 542612372 /nfs/dbraw/zinc/61/23/72/542612372.db2.gz VMKPUJFSTSQGFJ-OIISXLGYSA-N 1 3 264.457 3.299 20 0 CGADHO CC(C)CC(C)(C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000391177301 542612409 /nfs/dbraw/zinc/61/24/09/542612409.db2.gz NYUPDJRHPQVZHA-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000391177301 542612410 /nfs/dbraw/zinc/61/24/10/542612410.db2.gz NYUPDJRHPQVZHA-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000391177301 542612415 /nfs/dbraw/zinc/61/24/15/542612415.db2.gz NYUPDJRHPQVZHA-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(OC3CCCC3)c2)C1 ZINC000414933375 542641216 /nfs/dbraw/zinc/64/12/16/542641216.db2.gz WUKMYQMXKFNKLQ-JKSUJKDBSA-N 1 3 288.435 3.368 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000037117839 391979984 /nfs/dbraw/zinc/97/99/84/391979984.db2.gz CROWBYOFJSNTPM-ZBFHGGJFSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC1(C)C)CN1CCCCC1 ZINC000094307663 392241125 /nfs/dbraw/zinc/24/11/25/392241125.db2.gz XCULCVBOQCZGEU-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000250263830 131124647 /nfs/dbraw/zinc/12/46/47/131124647.db2.gz KDDOJSWUNNMYKW-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2sccc2C)C1 ZINC000250263830 131124648 /nfs/dbraw/zinc/12/46/48/131124648.db2.gz KDDOJSWUNNMYKW-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2sccc2C)C1 ZINC000250263830 131124650 /nfs/dbraw/zinc/12/46/50/131124650.db2.gz KDDOJSWUNNMYKW-CHWSQXEVSA-N 1 3 252.427 3.049 20 0 CGADHO Fc1ccc2c(c1)CC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000119638771 392396659 /nfs/dbraw/zinc/39/66/59/392396659.db2.gz ATNKMWURVXNSBU-QGZVFWFLSA-N 1 3 274.383 3.029 20 0 CGADHO C(C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134880389 392467969 /nfs/dbraw/zinc/46/79/69/392467969.db2.gz MBCSZWDJRCJPEM-NVXWUHKLSA-N 1 3 262.441 3.125 20 0 CGADHO C(C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134880389 392467970 /nfs/dbraw/zinc/46/79/70/392467970.db2.gz MBCSZWDJRCJPEM-NVXWUHKLSA-N 1 3 262.441 3.125 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cncs1 ZINC000158171823 392558338 /nfs/dbraw/zinc/55/83/38/392558338.db2.gz SYTOZPZTMKMQLJ-CQSZACIVSA-N 1 3 281.469 3.306 20 0 CGADHO CC(C)C[C@H]([NH2+]CCCN1CCCC1)c1ccncc1 ZINC000647281312 392633091 /nfs/dbraw/zinc/63/30/91/392633091.db2.gz HPFCQUPRTHVFGJ-KRWDZBQOSA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000647281180 392633422 /nfs/dbraw/zinc/63/34/22/392633422.db2.gz AWLJNWCSLOOJED-GOSISDBHSA-N 1 3 287.451 3.385 20 0 CGADHO CC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000174316316 392639288 /nfs/dbraw/zinc/63/92/88/392639288.db2.gz OLQWLMLYERMKLO-HPZPOOBXSA-N 1 3 282.472 3.044 20 0 CGADHO CCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506477746 392727084 /nfs/dbraw/zinc/72/70/84/392727084.db2.gz CCMOBYMIRSNQJC-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO CCCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506477746 392727087 /nfs/dbraw/zinc/72/70/87/392727087.db2.gz CCMOBYMIRSNQJC-JKSUJKDBSA-N 1 3 252.446 3.373 20 0 CGADHO c1cc2cnccc2c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479313 392734440 /nfs/dbraw/zinc/73/44/40/392734440.db2.gz BXJBYRTYZAOTJK-MJGOQNOKSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@H](CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000647479690 392734481 /nfs/dbraw/zinc/73/44/81/392734481.db2.gz PVEXZQXAWFTLQV-KYJSFNMBSA-N 1 3 290.426 3.393 20 0 CGADHO CCCc1cccc(CN2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647497556 392740902 /nfs/dbraw/zinc/74/09/02/392740902.db2.gz MBVJPRXNNMKWDY-IRXDYDNUSA-N 1 3 260.425 3.198 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@H]1N ZINC000647498264 392742732 /nfs/dbraw/zinc/74/27/32/392742732.db2.gz DHUBAMACWOOYBM-RBSFLKMASA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@H]1N ZINC000647498264 392742735 /nfs/dbraw/zinc/74/27/35/392742735.db2.gz DHUBAMACWOOYBM-RBSFLKMASA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H](CCc1ccccc1)CN1CCC(C)([NH3+])CC1 ZINC000647530786 392751599 /nfs/dbraw/zinc/75/15/99/392751599.db2.gz FRJZPPLYSMQCTP-HNNXBMFYSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1C[C@@H](CNC2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC000647552750 392765391 /nfs/dbraw/zinc/76/53/91/392765391.db2.gz UZWOMCJCFXCHDV-STQMWFEESA-N 1 3 278.827 3.307 20 0 CGADHO CC[C@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000181117936 392718858 /nfs/dbraw/zinc/71/88/58/392718858.db2.gz JDJGZGYEJXBGTH-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@H](C)[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000181117936 392718862 /nfs/dbraw/zinc/71/88/62/392718862.db2.gz JDJGZGYEJXBGTH-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@H](C)[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000181117936 392718868 /nfs/dbraw/zinc/71/88/68/392718868.db2.gz JDJGZGYEJXBGTH-JKSUJKDBSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CN(CCCOc2c(C)cccc2C)CC[C@H]1[NH3+] ZINC000647937134 392839749 /nfs/dbraw/zinc/83/97/49/392839749.db2.gz RHHDLCKPPXOYOD-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)N1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000510260287 392792698 /nfs/dbraw/zinc/79/26/98/392792698.db2.gz WTZQRCMRUSYUNV-ARJAWSKDSA-N 1 3 294.389 3.440 20 0 CGADHO c1ccc([C@@H]2CCCCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881002 392822223 /nfs/dbraw/zinc/82/22/23/392822223.db2.gz PZKWMVBTUWUGRK-WBVHZDCISA-N 1 3 258.409 3.213 20 0 CGADHO C([C@H]1CC[NH2+]C1)N1CCCC2(C1)CCCCCC2 ZINC000647890005 392827453 /nfs/dbraw/zinc/82/74/53/392827453.db2.gz FIWRHQKRTHNIJI-HNNXBMFYSA-N 1 3 250.430 3.032 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000376029535 392855207 /nfs/dbraw/zinc/85/52/07/392855207.db2.gz ORTQWLHJESGBHI-NNGSBXSVSA-N 1 3 290.426 3.363 20 0 CGADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184852 392930093 /nfs/dbraw/zinc/93/00/93/392930093.db2.gz CMQCNCLTRRAUJR-DLBZAZTESA-N 1 3 264.457 3.443 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000459496446 392945222 /nfs/dbraw/zinc/94/52/22/392945222.db2.gz XNGFPFKOSUMNNJ-BEFAXECRSA-N 1 3 284.447 3.264 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000459496446 392945227 /nfs/dbraw/zinc/94/52/27/392945227.db2.gz XNGFPFKOSUMNNJ-BEFAXECRSA-N 1 3 284.447 3.264 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCC(C)CC1 ZINC000513754935 542732934 /nfs/dbraw/zinc/73/29/34/542732934.db2.gz OIERQAJTWXFSRW-HOTGVXAUSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000459741764 392954027 /nfs/dbraw/zinc/95/40/27/392954027.db2.gz NQYJZJPDXOGMSU-HPBDAGMYSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000459741764 392954034 /nfs/dbraw/zinc/95/40/34/392954034.db2.gz NQYJZJPDXOGMSU-HPBDAGMYSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@](C)(CNC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000462820321 392968865 /nfs/dbraw/zinc/96/88/65/392968865.db2.gz XWUACJYUNKSCDL-GOSISDBHSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@](C)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000462820321 392968868 /nfs/dbraw/zinc/96/88/68/392968868.db2.gz XWUACJYUNKSCDL-GOSISDBHSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000410387881 392976344 /nfs/dbraw/zinc/97/63/44/392976344.db2.gz OMAGFRQSCMCCOJ-SJORKVTESA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000410387881 392976348 /nfs/dbraw/zinc/97/63/48/392976348.db2.gz OMAGFRQSCMCCOJ-SJORKVTESA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000221279277 393007705 /nfs/dbraw/zinc/00/77/05/393007705.db2.gz YFLYRKSWOKJQKP-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000221279277 393007709 /nfs/dbraw/zinc/00/77/09/393007709.db2.gz YFLYRKSWOKJQKP-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H](CC(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000546937287 393084129 /nfs/dbraw/zinc/08/41/29/393084129.db2.gz DLYITSPVAGASFE-GFCCVEGCSA-N 1 3 278.362 3.181 20 0 CGADHO C[C@H]1C[C@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000346373322 393085578 /nfs/dbraw/zinc/08/55/78/393085578.db2.gz RJBGXJYEYPKHTM-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@H](C)N ZINC000415011548 393095000 /nfs/dbraw/zinc/09/50/00/393095000.db2.gz QRYBHKIATBRODP-NWDGAFQWSA-N 1 3 260.406 3.240 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1cc(Cl)ccc1Cl ZINC000415025578 393101702 /nfs/dbraw/zinc/10/17/02/393101702.db2.gz RFWKBFPBWYDBRL-VIFPVBQESA-N 1 3 261.196 3.210 20 0 CGADHO CC[NH2+][C@H](C)CNC1CCC(c2ccc(OC)cc2)CC1 ZINC000414964949 393068871 /nfs/dbraw/zinc/06/88/71/393068871.db2.gz VCBLYCIBXYLVOJ-HPUBIQBYSA-N 1 3 290.451 3.309 20 0 CGADHO COc1ccc2cc(C[NH2+][C@@H]3CCNCC3(C)C)ccc2c1 ZINC000414976385 393075475 /nfs/dbraw/zinc/07/54/75/393075475.db2.gz PSUNQOYSPGYURP-GOSISDBHSA-N 1 3 298.430 3.326 20 0 CGADHO Brc1ccccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414978224 393076730 /nfs/dbraw/zinc/07/67/30/393076730.db2.gz SUZWFKDAVDBOEB-ZDUSSCGKSA-N 1 3 297.240 3.071 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2c(F)cccc2Cl)C1 ZINC000414984349 393079243 /nfs/dbraw/zinc/07/92/43/393079243.db2.gz AFZOHCHUKWVMCN-MNOVXSKESA-N 1 3 270.779 3.086 20 0 CGADHO [NH3+]CCC[C@@H](NCc1cccc(F)c1)c1ccccc1 ZINC000415044126 393111136 /nfs/dbraw/zinc/11/11/36/393111136.db2.gz AHSVUJGBQUUPKY-QGZVFWFLSA-N 1 3 272.367 3.396 20 0 CGADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000415053650 393114563 /nfs/dbraw/zinc/11/45/63/393114563.db2.gz OYLVLOSCFWNXGE-SJLPKXTDSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000415059507 393120295 /nfs/dbraw/zinc/12/02/95/393120295.db2.gz XAUNELWGPBOFEA-ZOCIIQOWSA-N 1 3 298.405 3.274 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@H]2CCCNCC2)cc1 ZINC000415079517 393134693 /nfs/dbraw/zinc/13/46/93/393134693.db2.gz ICPNHWYIJWNLTL-KRWDZBQOSA-N 1 3 274.452 3.258 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000415079517 393134699 /nfs/dbraw/zinc/13/46/99/393134699.db2.gz ICPNHWYIJWNLTL-KRWDZBQOSA-N 1 3 274.452 3.258 20 0 CGADHO C[C@H]1C[C@@H](CN2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116120 393149407 /nfs/dbraw/zinc/14/94/07/393149407.db2.gz VSDSAZYIBWZEKQ-STQMWFEESA-N 1 3 278.827 3.086 20 0 CGADHO C1[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000415120505 393151778 /nfs/dbraw/zinc/15/17/78/393151778.db2.gz YHNGADKSZJYTTH-TXTZMMAHSA-N 1 3 276.468 3.466 20 0 CGADHO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000648767302 393243948 /nfs/dbraw/zinc/24/39/48/393243948.db2.gz ARRCYOCOEHDSJG-WMZOPIPTSA-N 1 3 290.451 3.009 20 0 CGADHO CCc1ccccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420383604 393480463 /nfs/dbraw/zinc/48/04/63/393480463.db2.gz DLAOGNCEQWPQGA-AEFFLSMTSA-N 1 3 272.436 3.213 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000480660663 393435727 /nfs/dbraw/zinc/43/57/27/393435727.db2.gz GLWRQMGFSJHGMP-RHSMWYFYSA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480660663 393435731 /nfs/dbraw/zinc/43/57/31/393435731.db2.gz GLWRQMGFSJHGMP-RHSMWYFYSA-N 1 3 260.425 3.240 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H](C)C2 ZINC000425941527 393445854 /nfs/dbraw/zinc/44/58/54/393445854.db2.gz BVBAHVNWSJOWKP-GRDNDAEWSA-N 1 3 260.425 3.016 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH+](C)C)[C@@H](C)C2 ZINC000425941527 393445859 /nfs/dbraw/zinc/44/58/59/393445859.db2.gz BVBAHVNWSJOWKP-GRDNDAEWSA-N 1 3 260.425 3.016 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420288498 393450511 /nfs/dbraw/zinc/45/05/11/393450511.db2.gz IYBORDFEYURFCZ-JDFRZJQESA-N 1 3 276.399 3.262 20 0 CGADHO CCC[C@H]1CCCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420296369 393453255 /nfs/dbraw/zinc/45/32/55/393453255.db2.gz DKJGAHKRCCREDS-RDJZCZTQSA-N 1 3 290.451 3.250 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccccc2SC)CC1 ZINC000420317302 393463582 /nfs/dbraw/zinc/46/35/82/393463582.db2.gz ZIPKHFDIYOITMA-UHFFFAOYSA-N 1 3 278.465 3.230 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329679 393470493 /nfs/dbraw/zinc/47/04/93/393470493.db2.gz OROZAEWRFBWMAT-RDBSUJKOSA-N 1 3 294.389 3.347 20 0 CGADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365779 393475112 /nfs/dbraw/zinc/47/51/12/393475112.db2.gz LPFSHMXFIFEVCZ-GYSYKLTISA-N 1 3 268.351 3.100 20 0 CGADHO COC1(C[C@H](C)NCCC[NH+](C(C)C)C(C)C)CCC1 ZINC000429528412 393475807 /nfs/dbraw/zinc/47/58/07/393475807.db2.gz PCOMUCZNHUJCJY-INIZCTEOSA-N 1 3 284.488 3.433 20 0 CGADHO [NH3+]C[C@H](NCCSc1ccccc1)C1CCCCC1 ZINC000420377386 393477820 /nfs/dbraw/zinc/47/78/20/393477820.db2.gz WFWOHVZQLAGUPT-INIZCTEOSA-N 1 3 278.465 3.276 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1ccc(Cl)c(F)c1 ZINC000420377531 393478570 /nfs/dbraw/zinc/47/85/70/393478570.db2.gz SFWMTSNQKLJQPI-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO c1csc([C@@H]2CCCCN2CCC2CC[NH2+]CC2)n1 ZINC000359221293 393540317 /nfs/dbraw/zinc/54/03/17/393540317.db2.gz OSJIRMFQBYCHCF-AWEZNQCLSA-N 1 3 279.453 3.060 20 0 CGADHO Cc1cccc2c1C[N@H+](CCCN1CCCCC1)CC2 ZINC000429600125 393492162 /nfs/dbraw/zinc/49/21/62/393492162.db2.gz SSXKVROPWUYHGM-UHFFFAOYSA-N 1 3 272.436 3.229 20 0 CGADHO Cc1cccc2c1C[N@@H+](CCCN1CCCCC1)CC2 ZINC000429600125 393492164 /nfs/dbraw/zinc/49/21/64/393492164.db2.gz SSXKVROPWUYHGM-UHFFFAOYSA-N 1 3 272.436 3.229 20 0 CGADHO CN1CC[C@]2(CC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146680 393530178 /nfs/dbraw/zinc/53/01/78/393530178.db2.gz HMMHWLAYDGLUIR-KRWDZBQOSA-N 1 3 288.366 3.100 20 0 CGADHO CN1CC[C@]2(CC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146680 393530184 /nfs/dbraw/zinc/53/01/84/393530184.db2.gz HMMHWLAYDGLUIR-KRWDZBQOSA-N 1 3 288.366 3.100 20 0 CGADHO Cc1cccc(C)c1OCCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430560007 393574575 /nfs/dbraw/zinc/57/45/75/393574575.db2.gz YFECTLWEYYFRMR-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCOc2cccc3ccccc32)C1 ZINC000430572201 393577059 /nfs/dbraw/zinc/57/70/59/393577059.db2.gz NPJXBVHXALHSRA-RDJZCZTQSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCNCC1)CC1CCCCC1 ZINC000666856533 542820986 /nfs/dbraw/zinc/82/09/86/542820986.db2.gz NVVMFIXQVPXWRV-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000666857642 542822102 /nfs/dbraw/zinc/82/21/02/542822102.db2.gz CLOUHBYWQKNXSZ-ZFWWWQNUSA-N 1 3 278.465 3.071 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000666857642 542822105 /nfs/dbraw/zinc/82/21/05/542822105.db2.gz CLOUHBYWQKNXSZ-ZFWWWQNUSA-N 1 3 278.465 3.071 20 0 CGADHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1cccc(OC)c1 ZINC000360853527 393598559 /nfs/dbraw/zinc/59/85/59/393598559.db2.gz AUWZBZIOXJLEMP-BBRMVZONSA-N 1 3 264.413 3.076 20 0 CGADHO CCC[N@H+](CCO[C@@H]1CCCC[C@H]1C)C1CCNCC1 ZINC000431079980 393603030 /nfs/dbraw/zinc/60/30/30/393603030.db2.gz KNTWRWVCLGLHIC-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)C1CCNCC1 ZINC000431079980 393603032 /nfs/dbraw/zinc/60/30/32/393603032.db2.gz KNTWRWVCLGLHIC-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CCCN(CCO[C@@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000431079980 393603034 /nfs/dbraw/zinc/60/30/34/393603034.db2.gz KNTWRWVCLGLHIC-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490040640 393628282 /nfs/dbraw/zinc/62/82/82/393628282.db2.gz QOJDMYPCQTURCF-MJGOQNOKSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000422787449 393642252 /nfs/dbraw/zinc/64/22/52/393642252.db2.gz MBYYUFJSPUGTPU-AALSBFMBSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422984015 393647361 /nfs/dbraw/zinc/64/73/61/393647361.db2.gz WHIPTSQYTKMUJP-MSOLQXFVSA-N 1 3 266.388 3.272 20 0 CGADHO CCC(CC)[C@@H]1C[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423050612 393649592 /nfs/dbraw/zinc/64/95/92/393649592.db2.gz YYPVAQYIIZWGPX-LLLHUVSDSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423142526 393652162 /nfs/dbraw/zinc/65/21/62/393652162.db2.gz AKPRAFNBNLJTEQ-UWWQBHOKSA-N 1 3 272.436 3.084 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@H](C)C1CNC1)c1ccc(Cl)cc1 ZINC000423107884 393652295 /nfs/dbraw/zinc/65/22/95/393652295.db2.gz LKSRTPXTBMPQAG-MLGOLLRUSA-N 1 3 280.843 3.277 20 0 CGADHO CC(C)[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423107884 393652299 /nfs/dbraw/zinc/65/22/99/393652299.db2.gz LKSRTPXTBMPQAG-MLGOLLRUSA-N 1 3 280.843 3.277 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000424377343 393683467 /nfs/dbraw/zinc/68/34/67/393683467.db2.gz MLMHBOHKTOZHJV-ARLBYUKCSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)(N)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423288092 393658716 /nfs/dbraw/zinc/65/87/16/393658716.db2.gz QLJJPSQIHSJJQJ-QGZVFWFLSA-N 1 3 286.394 3.436 20 0 CGADHO CC(C)CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423325348 393662264 /nfs/dbraw/zinc/66/22/64/393662264.db2.gz BTBYZDQIFKDRHC-CVEARBPZSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)[C@H]1C[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000491002871 393662442 /nfs/dbraw/zinc/66/24/42/393662442.db2.gz CZNOFRBQCCPIDM-NVXWUHKLSA-N 1 3 296.499 3.290 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423389793 393665846 /nfs/dbraw/zinc/66/58/46/393665846.db2.gz OKFZNKVWRABQJB-AHIWAGSCSA-N 1 3 288.435 3.277 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423452419 393667397 /nfs/dbraw/zinc/66/73/97/393667397.db2.gz WGOYLGSEUJSCEX-PKFCDNJMSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@@H](NC/C=C\C[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000361146201 393684766 /nfs/dbraw/zinc/68/47/66/393684766.db2.gz BJZTXHSDFGVCRW-CMKSSICZSA-N 1 3 296.418 3.034 20 0 CGADHO C[C@@H]([NH2+]C/C=C\CN[C@@H](C)c1ccccn1)c1ccccn1 ZINC000361146201 393684771 /nfs/dbraw/zinc/68/47/71/393684771.db2.gz BJZTXHSDFGVCRW-CMKSSICZSA-N 1 3 296.418 3.034 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000500419175 393828410 /nfs/dbraw/zinc/82/84/10/393828410.db2.gz FXBBJFZSTLQEGC-HNNXBMFYSA-N 1 3 290.451 3.079 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)COC(C)C ZINC000501469060 393854440 /nfs/dbraw/zinc/85/44/40/393854440.db2.gz DQEQKUIAVXOPCY-IXDOHACOSA-N 1 3 284.488 3.290 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)COC(C)C ZINC000501469060 393854444 /nfs/dbraw/zinc/85/44/44/393854444.db2.gz DQEQKUIAVXOPCY-IXDOHACOSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995743 542833322 /nfs/dbraw/zinc/83/33/22/542833322.db2.gz YRXMBYQTUZUIBL-ZBFHGGJFSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H](CCc1ccccc1F)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995743 542833324 /nfs/dbraw/zinc/83/33/24/542833324.db2.gz YRXMBYQTUZUIBL-ZBFHGGJFSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995656 542834068 /nfs/dbraw/zinc/83/40/68/542834068.db2.gz VLKCBYUQLZMRIT-WMLDXEAASA-N 1 3 290.426 3.411 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995656 542834070 /nfs/dbraw/zinc/83/40/70/542834070.db2.gz VLKCBYUQLZMRIT-WMLDXEAASA-N 1 3 290.426 3.411 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@H]2CCNC3(CCC3)C2)c(C)c1 ZINC000666998337 542834752 /nfs/dbraw/zinc/83/47/52/542834752.db2.gz OITOUDRVKUUYGU-INIZCTEOSA-N 1 3 272.436 3.376 20 0 CGADHO C(C[NH2+]C1CCN(C2CCCCC2)CC1)C[C@@H]1CCOC1 ZINC000449678361 393939358 /nfs/dbraw/zinc/93/93/58/393939358.db2.gz ASVKKYYVTNCNDK-MRXNPFEDSA-N 1 3 294.483 3.190 20 0 CGADHO CC[NH+]1CCC(N(C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450472682 393998069 /nfs/dbraw/zinc/99/80/69/393998069.db2.gz XYMAMIAISHIUAZ-ZDUSSCGKSA-N 1 3 274.399 3.228 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453087300 394167124 /nfs/dbraw/zinc/16/71/24/394167124.db2.gz YVIKVNLAXDKESC-INIZCTEOSA-N 1 3 277.456 3.113 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228742 394213102 /nfs/dbraw/zinc/21/31/02/394213102.db2.gz BYMUYTSMDIHTQV-LQAWEQHXSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228742 394213107 /nfs/dbraw/zinc/21/31/07/394213107.db2.gz BYMUYTSMDIHTQV-LQAWEQHXSA-N 1 3 294.389 3.272 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000453451697 394247326 /nfs/dbraw/zinc/24/73/26/394247326.db2.gz RQNAYYKPNCGFGZ-YHUYYLMFSA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000453451697 394247329 /nfs/dbraw/zinc/24/73/29/394247329.db2.gz RQNAYYKPNCGFGZ-YHUYYLMFSA-N 1 3 250.430 3.028 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000453156627 394190492 /nfs/dbraw/zinc/19/04/92/394190492.db2.gz XIJSFOGVZXYHSO-IBGZPJMESA-N 1 3 299.462 3.466 20 0 CGADHO Cc1ccccc1C(C)(C)NCC[C@H]1CCC[N@H+]1C ZINC000549868360 289057681 /nfs/dbraw/zinc/05/76/81/289057681.db2.gz UXCWWAJWZCDRCT-OAHLLOKOSA-N 1 3 260.425 3.304 20 0 CGADHO Cc1ccccc1C(C)(C)NCC[C@H]1CCC[N@@H+]1C ZINC000549868360 289057684 /nfs/dbraw/zinc/05/76/84/289057684.db2.gz UXCWWAJWZCDRCT-OAHLLOKOSA-N 1 3 260.425 3.304 20 0 CGADHO c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CCCN(CC3CC3)C1)C2 ZINC000668818551 543066112 /nfs/dbraw/zinc/06/61/12/543066112.db2.gz JCRWXPAWFQXQPI-KRWDZBQOSA-N 1 3 298.474 3.113 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CS1 ZINC000668818755 543066400 /nfs/dbraw/zinc/06/64/00/543066400.db2.gz KSTMLWKBWSAMHS-ULQDDVLXSA-N 1 3 296.524 3.228 20 0 CGADHO COC1(C[NH2+]CC[C@H](C)N2CCCCC2)CCCCC1 ZINC000359673188 292121500 /nfs/dbraw/zinc/12/15/00/292121500.db2.gz IGNYSWUUQDJLCZ-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO COC1(CNCC[C@H](C)[NH+]2CCCCC2)CCCCC1 ZINC000359673188 292121501 /nfs/dbraw/zinc/12/15/01/292121501.db2.gz IGNYSWUUQDJLCZ-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CC[NH+]1CCC(CN[C@H](CC(C)C)c2ccccn2)CC1 ZINC000675819078 543367937 /nfs/dbraw/zinc/36/79/37/543367937.db2.gz QTLAYCOVMUIWIR-GOSISDBHSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccncc1 ZINC000675926711 543374721 /nfs/dbraw/zinc/37/47/21/543374721.db2.gz FBIZVSWOWOKMMG-AWEZNQCLSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)c1ccncc1 ZINC000675926711 543374724 /nfs/dbraw/zinc/37/47/24/543374724.db2.gz FBIZVSWOWOKMMG-AWEZNQCLSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678217361 543495012 /nfs/dbraw/zinc/49/50/12/543495012.db2.gz SKIRBBWZKPXALL-INIZCTEOSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678217361 543495014 /nfs/dbraw/zinc/49/50/14/543495014.db2.gz SKIRBBWZKPXALL-INIZCTEOSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CCC([NH+](C)C)CC1 ZINC000678814293 543561770 /nfs/dbraw/zinc/56/17/70/543561770.db2.gz IDYGINAVBMWHJC-MRXNPFEDSA-N 1 3 274.452 3.281 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@@H]1CCCNC1 ZINC000414828006 287011225 /nfs/dbraw/zinc/01/12/25/287011225.db2.gz YRRYPQDGYDRBJD-OKZRHMCRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@H]1C[C@H]1C ZINC000414110470 287013125 /nfs/dbraw/zinc/01/31/25/287013125.db2.gz LUONVIBSNHWWNS-IOASZLSFSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CC1 ZINC000177269234 287013826 /nfs/dbraw/zinc/01/38/26/287013826.db2.gz VXPGVHJOANWXHX-CYBMUJFWSA-N 1 3 250.430 3.029 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cc(C)ccc2C)CC1 ZINC000077249549 287038506 /nfs/dbraw/zinc/03/85/06/287038506.db2.gz IFERVRGOERSXPM-UHFFFAOYSA-N 1 3 260.425 3.220 20 0 CGADHO COCc1cccc(C[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000088553581 165195727 /nfs/dbraw/zinc/19/57/27/165195727.db2.gz BOIYDLUQOLGZEK-MRXNPFEDSA-N 1 3 290.451 3.045 20 0 CGADHO C[C@H]([NH2+]CC1(C)CCC1)c1cccc(OCCN(C)C)c1 ZINC000090220013 165232323 /nfs/dbraw/zinc/23/23/23/165232323.db2.gz OVNRYOODPFJSCO-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000094522167 165352567 /nfs/dbraw/zinc/35/25/67/165352567.db2.gz MWPVAGNCZMTLJW-GUYCJALGSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)N1CC[C@H](C[NH3+])C1 ZINC000050245086 287141318 /nfs/dbraw/zinc/14/13/18/287141318.db2.gz ZAGVLGYQAQXOBZ-UONOGXRCSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](CN)C1 ZINC000050245086 287141320 /nfs/dbraw/zinc/14/13/20/287141320.db2.gz ZAGVLGYQAQXOBZ-UONOGXRCSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](CN)C1 ZINC000050245086 287141323 /nfs/dbraw/zinc/14/13/23/287141323.db2.gz ZAGVLGYQAQXOBZ-UONOGXRCSA-N 1 3 254.377 3.181 20 0 CGADHO Fc1cc(Cl)cc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261931347 165843465 /nfs/dbraw/zinc/84/34/65/165843465.db2.gz CTWVXABLLUOPGO-UHFFFAOYSA-N 1 3 282.790 3.055 20 0 CGADHO CCC[C@@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284443570 196057814 /nfs/dbraw/zinc/05/78/14/196057814.db2.gz SXMWBHPQFPCQFO-OAHLLOKOSA-N 1 3 290.451 3.438 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CC1 ZINC000125646899 287248339 /nfs/dbraw/zinc/24/83/39/287248339.db2.gz ZYPYHZYGGRORJB-GOEBONIOSA-N 1 3 252.446 3.133 20 0 CGADHO Fc1ccc(/C=C/C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1F ZINC000285568273 196329498 /nfs/dbraw/zinc/32/94/98/196329498.db2.gz VZNUZAUKFCCOQR-VSZDKKFSSA-N 1 3 292.373 3.052 20 0 CGADHO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(C)s1 ZINC000285577624 196333396 /nfs/dbraw/zinc/33/33/96/196333396.db2.gz SYXMSCJATZYLLZ-XYPWUTKMSA-N 1 3 278.465 3.422 20 0 CGADHO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(C)s1 ZINC000285577624 196333398 /nfs/dbraw/zinc/33/33/98/196333398.db2.gz SYXMSCJATZYLLZ-XYPWUTKMSA-N 1 3 278.465 3.422 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000037267163 173077863 /nfs/dbraw/zinc/07/78/63/173077863.db2.gz MEYHWVWHKNKHIE-LLVKDONJSA-N 1 3 297.240 3.194 20 0 CGADHO CC(C)Cc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038040971 174041336 /nfs/dbraw/zinc/04/13/36/174041336.db2.gz XZSLVKJWPQDELR-AWEZNQCLSA-N 1 3 260.425 3.288 20 0 CGADHO Cc1ccc(CNCC2(C)CC[NH+](C)CC2)c(Cl)c1 ZINC000226348973 416522117 /nfs/dbraw/zinc/52/21/17/416522117.db2.gz NLGHZNIKWXGQHJ-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCNCC1 ZINC000679463160 543637598 /nfs/dbraw/zinc/63/75/98/543637598.db2.gz QBUMHXDGWSXJGA-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000679463160 543637599 /nfs/dbraw/zinc/63/75/99/543637599.db2.gz QBUMHXDGWSXJGA-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000679722217 543658501 /nfs/dbraw/zinc/65/85/01/543658501.db2.gz ZNEGMWSZZOKIJE-FGTMMUONSA-N 1 3 272.436 3.285 20 0 CGADHO CCC(C)(C)N(C)CC1(C[N@H+](C)C(C)(C)CC)COC1 ZINC000679853428 543665972 /nfs/dbraw/zinc/66/59/72/543665972.db2.gz DGFJPCDUZWMLAP-UHFFFAOYSA-N 1 3 284.488 3.244 20 0 CGADHO CCC(C)(C)N(C)CC1(C[N@@H+](C)C(C)(C)CC)COC1 ZINC000679853428 543665973 /nfs/dbraw/zinc/66/59/73/543665973.db2.gz DGFJPCDUZWMLAP-UHFFFAOYSA-N 1 3 284.488 3.244 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078243 543823587 /nfs/dbraw/zinc/82/35/87/543823587.db2.gz WELSQXJKFDZYBL-NJAFHUGGSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000682078243 543823588 /nfs/dbraw/zinc/82/35/88/543823588.db2.gz WELSQXJKFDZYBL-NJAFHUGGSA-N 1 3 270.420 3.090 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000681755450 543806810 /nfs/dbraw/zinc/80/68/10/543806810.db2.gz VDUKZQYEZIZZOH-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000681755450 543806813 /nfs/dbraw/zinc/80/68/13/543806813.db2.gz VDUKZQYEZIZZOH-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)CC1 ZINC000683357912 543910451 /nfs/dbraw/zinc/91/04/51/543910451.db2.gz UKRCLVWSNPWTGE-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC000683357912 543910454 /nfs/dbraw/zinc/91/04/54/543910454.db2.gz UKRCLVWSNPWTGE-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832432 543945891 /nfs/dbraw/zinc/94/58/91/543945891.db2.gz SSYHNNMMFWQECL-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832432 543945893 /nfs/dbraw/zinc/94/58/93/543945893.db2.gz SSYHNNMMFWQECL-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832432 543945896 /nfs/dbraw/zinc/94/58/96/543945896.db2.gz SSYHNNMMFWQECL-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4cnccc4c3)CC[C@@H]21 ZINC000683832432 543945900 /nfs/dbraw/zinc/94/59/00/543945900.db2.gz SSYHNNMMFWQECL-OALUTQOASA-N 1 3 295.430 3.151 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000685455668 544073216 /nfs/dbraw/zinc/07/32/16/544073216.db2.gz GFOAADMKRRGNFD-GJZGRUSLSA-N 1 3 280.481 3.389 20 0 CGADHO CC[C@H](OCCN[C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000650741409 418936058 /nfs/dbraw/zinc/93/60/58/418936058.db2.gz CVJFQGDLNYLMGK-SZMVWBNQSA-N 1 3 290.451 3.132 20 0 CGADHO CCc1[nH+]c2ccccc2c(N(C)CC2CN(C)C2)c1C ZINC000664328219 418940101 /nfs/dbraw/zinc/94/01/01/418940101.db2.gz CMNSUZBJMVWZBF-UHFFFAOYSA-N 1 3 283.419 3.103 20 0 CGADHO C[C@@H](NCC1CC[NH+](CC2CC2)CC1)c1ccco1 ZINC000658357912 418950291 /nfs/dbraw/zinc/95/02/91/418950291.db2.gz RSTSFHVFVOPLJA-CYBMUJFWSA-N 1 3 262.397 3.052 20 0 CGADHO CC(C)c1cccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000659924251 419034525 /nfs/dbraw/zinc/03/45/25/419034525.db2.gz DDTQZYXKMWZEHZ-INIZCTEOSA-N 1 3 260.425 3.194 20 0 CGADHO CC(C)c1cccc(C[N@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000659924251 419034528 /nfs/dbraw/zinc/03/45/28/419034528.db2.gz DDTQZYXKMWZEHZ-INIZCTEOSA-N 1 3 260.425 3.194 20 0 CGADHO CC[C@H](COCC1CC1)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665236033 419087135 /nfs/dbraw/zinc/08/71/35/419087135.db2.gz FVWGCVHBXSCUGN-DJIMGWMZSA-N 1 3 282.472 3.092 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237435 419088176 /nfs/dbraw/zinc/08/81/76/419088176.db2.gz AUTSWJKFUOVVCM-CABCVRRESA-N 1 3 272.417 3.385 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CCCC1 ZINC000665246781 419089683 /nfs/dbraw/zinc/08/96/83/419089683.db2.gz NOAFKISZPPTONI-MRXNPFEDSA-N 1 3 283.419 3.406 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1(N)CCCC1 ZINC000665248562 419091761 /nfs/dbraw/zinc/09/17/61/419091761.db2.gz ZELKCJLOABRORK-HIFRSBDPSA-N 1 3 258.409 3.404 20 0 CGADHO c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2CC[C@H]2C2CCC2)cc1 ZINC000665252153 419093843 /nfs/dbraw/zinc/09/38/43/419093843.db2.gz IPBXUQPLYFCFAU-ZSYWTGECSA-N 1 3 284.447 3.300 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)CC1CCC1 ZINC000665267610 419096527 /nfs/dbraw/zinc/09/65/27/419096527.db2.gz ZNJNKGNTGWZBOK-GVDBMIGSSA-N 1 3 264.457 3.467 20 0 CGADHO CC1(C)[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1(F)F ZINC000665274086 419098243 /nfs/dbraw/zinc/09/82/43/419098243.db2.gz JKSROHOVHVEEBE-DGAVXFQQSA-N 1 3 286.410 3.178 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCc2cc(Cl)ccc21 ZINC000665281219 419102794 /nfs/dbraw/zinc/10/27/94/419102794.db2.gz XNELTBCOQMNNAU-CABCVRRESA-N 1 3 266.816 3.290 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665282840 419103849 /nfs/dbraw/zinc/10/38/49/419103849.db2.gz CPAPWMJKHOHRRZ-QGTPRVQTSA-N 1 3 272.436 3.350 20 0 CGADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C1CCCCC1 ZINC000665283974 419104912 /nfs/dbraw/zinc/10/49/12/419104912.db2.gz YDFONVIRFCPJTB-FGTMMUONSA-N 1 3 288.435 3.316 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665299475 419111243 /nfs/dbraw/zinc/11/12/43/419111243.db2.gz NUDGPVYQGLASBO-ZQIUZPCESA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(c2ccccc2)CC1(C)C ZINC000665299475 419111247 /nfs/dbraw/zinc/11/12/47/419111247.db2.gz NUDGPVYQGLASBO-ZQIUZPCESA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000660256164 419114832 /nfs/dbraw/zinc/11/48/32/419114832.db2.gz IURZBBYRENYOAD-HOCLYGCPSA-N 1 3 287.451 3.011 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCC(C)(C)C3CC3)CC[C@H]21 ZINC000653570676 419051817 /nfs/dbraw/zinc/05/18/17/419051817.db2.gz ZJCSCFMQHRMXAI-GOEBONIOSA-N 1 3 264.457 3.229 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCC(C)(C)C3CC3)CC[C@H]21 ZINC000653570676 419051821 /nfs/dbraw/zinc/05/18/21/419051821.db2.gz ZJCSCFMQHRMXAI-GOEBONIOSA-N 1 3 264.457 3.229 20 0 CGADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)c(C)c1 ZINC000656196767 419148459 /nfs/dbraw/zinc/14/84/59/419148459.db2.gz FVPMFMSWVUSWPA-DLBZAZTESA-N 1 3 260.425 3.096 20 0 CGADHO CC[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCCO1 ZINC000656202118 419149582 /nfs/dbraw/zinc/14/95/82/419149582.db2.gz YZLJROCWFZZZJT-QZWWFDLISA-N 1 3 282.472 3.235 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659092 419177673 /nfs/dbraw/zinc/17/76/73/419177673.db2.gz MTZKQBOEHPYNOZ-FUHWJXTLSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659092 419177675 /nfs/dbraw/zinc/17/76/75/419177675.db2.gz MTZKQBOEHPYNOZ-FUHWJXTLSA-N 1 3 272.436 3.474 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000660656838 419178136 /nfs/dbraw/zinc/17/81/36/419178136.db2.gz VDFDNVGCLAQDCB-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000660656838 419178137 /nfs/dbraw/zinc/17/81/37/419178137.db2.gz VDFDNVGCLAQDCB-SFHVURJKSA-N 1 3 272.436 3.037 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662428 419179632 /nfs/dbraw/zinc/17/96/32/419179632.db2.gz KDKMVVDCDSZGLG-DZGCQCFKSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662428 419179634 /nfs/dbraw/zinc/17/96/34/419179634.db2.gz KDKMVVDCDSZGLG-DZGCQCFKSA-N 1 3 274.399 3.086 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]C3CCN(C(C)C)CC3)cc21 ZINC000657294885 419245006 /nfs/dbraw/zinc/24/50/06/419245006.db2.gz WHNMMRBDVWZQLC-UHFFFAOYSA-N 1 3 285.435 3.439 20 0 CGADHO CC[C@@H]1C[C@H](NCc2ccccc2C[N@H+](C)C(C)C)CO1 ZINC000657308011 419247506 /nfs/dbraw/zinc/24/75/06/419247506.db2.gz LOTZCKVCIUBPPF-ZWKOTPCHSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@@H]1C[C@H](NCc2ccccc2C[N@@H+](C)C(C)C)CO1 ZINC000657308011 419247507 /nfs/dbraw/zinc/24/75/07/419247507.db2.gz LOTZCKVCIUBPPF-ZWKOTPCHSA-N 1 3 290.451 3.184 20 0 CGADHO CCCOc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000657355486 419258255 /nfs/dbraw/zinc/25/82/55/419258255.db2.gz QAUDLVQIMHWCQP-INIZCTEOSA-N 1 3 290.451 3.215 20 0 CGADHO CCCOc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000657355486 419258257 /nfs/dbraw/zinc/25/82/57/419258257.db2.gz QAUDLVQIMHWCQP-INIZCTEOSA-N 1 3 290.451 3.215 20 0 CGADHO NC1(C[NH2+]Cc2csc3ccccc23)CCCC1 ZINC000656788374 419219187 /nfs/dbraw/zinc/21/91/87/419219187.db2.gz LXAJXOIGMMPXNH-UHFFFAOYSA-N 1 3 260.406 3.262 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+](C)C2CC(C)(C)C2)cc1 ZINC000657192004 419230081 /nfs/dbraw/zinc/23/00/81/419230081.db2.gz VCZDROJUDAVFBG-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1 ZINC000657192004 419230084 /nfs/dbraw/zinc/23/00/84/419230084.db2.gz VCZDROJUDAVFBG-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO C1CC2(C1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CO2 ZINC000657630266 419316226 /nfs/dbraw/zinc/31/62/26/419316226.db2.gz AKJYOIFYJDGSOT-INIZCTEOSA-N 1 3 292.467 3.085 20 0 CGADHO C[C@@H]1CCCN(Cc2cc(F)cc(F)c2)[C@@H]1CCC[NH3+] ZINC000662315680 419390896 /nfs/dbraw/zinc/39/08/96/419390896.db2.gz ILCRFYGFJOYUTO-MLGOLLRUSA-N 1 3 282.378 3.304 20 0 CGADHO Fc1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812623 419363951 /nfs/dbraw/zinc/36/39/51/419363951.db2.gz UZQIMXJMTATSCR-UHFFFAOYSA-N 1 3 276.399 3.037 20 0 CGADHO c1ccc2c(c1)CC[C@H]2CCN(C1CC1)C1CC[NH2+]CC1 ZINC000662235329 419368550 /nfs/dbraw/zinc/36/85/50/419368550.db2.gz QIIMHLRRDQICHL-INIZCTEOSA-N 1 3 284.447 3.323 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662238742 419369481 /nfs/dbraw/zinc/36/94/81/419369481.db2.gz VIDFAPAUQYZERV-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662238742 419369484 /nfs/dbraw/zinc/36/94/84/419369484.db2.gz VIDFAPAUQYZERV-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 ZINC000662236536 419370588 /nfs/dbraw/zinc/37/05/88/419370588.db2.gz FDKJKDXHEVGDDW-DOTOQJQBSA-N 1 3 272.436 3.038 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662264761 419375558 /nfs/dbraw/zinc/37/55/58/419375558.db2.gz LBFPLNANMJIGQD-HZSPNIEDSA-N 1 3 274.399 3.132 20 0 CGADHO CC(C)(C)c1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000662266914 419377559 /nfs/dbraw/zinc/37/75/59/419377559.db2.gz QPUDZFBMQDIUNV-XIRDDKMYSA-N 1 3 272.436 3.153 20 0 CGADHO CC[C@H](CC(F)F)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662277556 419382634 /nfs/dbraw/zinc/38/26/34/419382634.db2.gz WBNQLLCHKMDBJE-MGPQQGTHSA-N 1 3 274.399 3.132 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000662285745 419386288 /nfs/dbraw/zinc/38/62/88/419386288.db2.gz MWZQMSHEYKOJHK-UPJWGTAASA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000662285745 419386291 /nfs/dbraw/zinc/38/62/91/419386291.db2.gz MWZQMSHEYKOJHK-UPJWGTAASA-N 1 3 262.388 3.117 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCCSCC1)N1CCCCC1 ZINC000657973022 419470670 /nfs/dbraw/zinc/47/06/70/419470670.db2.gz NPPVFPYHKXAUBJ-GJZGRUSLSA-N 1 3 270.486 3.126 20 0 CGADHO c1cc2cccc(C[NH2+]C[C@H]3CCCN(CC4CC4)C3)c2[nH]1 ZINC000663345545 419567461 /nfs/dbraw/zinc/56/74/61/419567461.db2.gz KOEWNWJVJPDEQU-MRXNPFEDSA-N 1 3 297.446 3.380 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000663498704 419635654 /nfs/dbraw/zinc/63/56/54/419635654.db2.gz DMGZCMDZPMWKAL-CZUORRHYSA-N 1 3 266.404 3.110 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CCc1cccc(F)c1 ZINC000663498704 419635661 /nfs/dbraw/zinc/63/56/61/419635661.db2.gz DMGZCMDZPMWKAL-CZUORRHYSA-N 1 3 266.404 3.110 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+]CC12CC(C1)CN2 ZINC000663498992 419637837 /nfs/dbraw/zinc/63/78/37/419637837.db2.gz TUJJOZSHBKANGF-IUDNXUCKSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000663503346 419639972 /nfs/dbraw/zinc/63/99/72/419639972.db2.gz POFKQSVADIKSOM-CZUORRHYSA-N 1 3 266.404 3.110 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CCc1ccc(F)cc1 ZINC000663503346 419639978 /nfs/dbraw/zinc/63/99/78/419639978.db2.gz POFKQSVADIKSOM-CZUORRHYSA-N 1 3 266.404 3.110 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466243 419617022 /nfs/dbraw/zinc/61/70/22/419617022.db2.gz PWRYRHYQUKRUPP-JSGCOSHPSA-N 1 3 292.389 3.429 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCC1 ZINC000663466396 419620202 /nfs/dbraw/zinc/62/02/02/419620202.db2.gz SGODTGTTWSXNDY-WBVHZDCISA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000663470673 419626061 /nfs/dbraw/zinc/62/60/61/419626061.db2.gz WGMXPNVBUCNNHC-ZFWWWQNUSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000663504516 419641662 /nfs/dbraw/zinc/64/16/62/419641662.db2.gz ZMFBLXMBMGDEGT-KEYYUXOJSA-N 1 3 258.409 3.232 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658284435 419729987 /nfs/dbraw/zinc/72/99/87/419729987.db2.gz XTHFLIWJHAKQRC-LBPRGKRZSA-N 1 3 274.399 3.130 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658284435 419729996 /nfs/dbraw/zinc/72/99/96/419729996.db2.gz XTHFLIWJHAKQRC-LBPRGKRZSA-N 1 3 274.399 3.130 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000521045267 260119438 /nfs/dbraw/zinc/11/94/38/260119438.db2.gz LWODYCJCAPRVFD-FZKQIMNGSA-N 1 3 266.388 3.168 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCC1(F)F ZINC000390661471 262236640 /nfs/dbraw/zinc/23/66/40/262236640.db2.gz LXOSIMFQJWIWBY-MCIONIFRSA-N 1 3 274.399 3.322 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@](C)(O)C2CCCCC2)CC1 ZINC000188656353 262335644 /nfs/dbraw/zinc/33/56/44/262335644.db2.gz PDUPTAXXVRJPCS-GOSISDBHSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)O[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000185239564 270062058 /nfs/dbraw/zinc/06/20/58/270062058.db2.gz CDQQMBVXWRLHON-HZPDHXFCSA-N 1 3 296.499 3.431 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000187013297 270067612 /nfs/dbraw/zinc/06/76/12/270067612.db2.gz PCZSCVWVMAQLRO-XHSDSOJGSA-N 1 3 298.540 3.476 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798224 270077851 /nfs/dbraw/zinc/07/78/51/270077851.db2.gz JDXFHHYSQVIFEC-GOSISDBHSA-N 1 3 295.515 3.057 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192798224 270077852 /nfs/dbraw/zinc/07/78/52/270077852.db2.gz JDXFHHYSQVIFEC-GOSISDBHSA-N 1 3 295.515 3.057 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000322480439 270093568 /nfs/dbraw/zinc/09/35/68/270093568.db2.gz SYAHMOONWMINSK-XHSDSOJGSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@H]1CC12CC2 ZINC000527888065 270142232 /nfs/dbraw/zinc/14/22/32/270142232.db2.gz QHGWQRPDJFCDOY-QSJFSLAZSA-N 1 3 276.468 3.418 20 0 CGADHO c1cc2c(ccnc2NC[C@@H]2CC[N@@H+]2C2CCCCC2)[nH]1 ZINC000528117990 270154752 /nfs/dbraw/zinc/15/47/52/270154752.db2.gz OFPORRYXTDJWSP-AWEZNQCLSA-N 1 3 284.407 3.382 20 0 CGADHO c1cc2c(ccnc2NC[C@@H]2CC[N@H+]2C2CCCCC2)[nH]1 ZINC000528117990 270154753 /nfs/dbraw/zinc/15/47/53/270154753.db2.gz OFPORRYXTDJWSP-AWEZNQCLSA-N 1 3 284.407 3.382 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)CC1 ZINC000529551785 270184215 /nfs/dbraw/zinc/18/42/15/270184215.db2.gz HMOGPOHBUGBPIO-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2ccc3cc[nH]c3c2)CC1 ZINC000529551785 270184216 /nfs/dbraw/zinc/18/42/16/270184216.db2.gz HMOGPOHBUGBPIO-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530215804 270195716 /nfs/dbraw/zinc/19/57/16/270195716.db2.gz JDRNFEQRSQUPEW-BZSNNMDCSA-N 1 3 284.447 3.371 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000530222349 270196711 /nfs/dbraw/zinc/19/67/11/270196711.db2.gz ZMFOLFCOPQQXHV-NWDGAFQWSA-N 1 3 262.388 3.165 20 0 CGADHO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000532214880 270214456 /nfs/dbraw/zinc/21/44/56/270214456.db2.gz VSLOADCTNBYXPP-JKSUJKDBSA-N 1 3 292.467 3.194 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2c(Br)cccc21 ZINC000423308893 274213993 /nfs/dbraw/zinc/21/39/93/274213993.db2.gz PDLUIUSEXRJJBV-IINYFYTJSA-N 1 3 297.240 3.011 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C1CCCCC1 ZINC000423527725 274259694 /nfs/dbraw/zinc/25/96/94/274259694.db2.gz MOHDCWLIHFKQRG-FHLIZLRMSA-N 1 3 272.436 3.300 20 0 CGADHO C(CN1CCSC2(CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359221461 275392659 /nfs/dbraw/zinc/39/26/59/275392659.db2.gz PTTDLPJXAHRTDR-UHFFFAOYSA-N 1 3 282.497 3.128 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCO1 ZINC000422990784 275688544 /nfs/dbraw/zinc/68/85/44/275688544.db2.gz NYWJPHHAVUWQIX-ILOCAZANSA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414926529 275879136 /nfs/dbraw/zinc/87/91/36/275879136.db2.gz NJQLNCKXRCYTCO-VGWMRTNUSA-N 1 3 252.446 3.451 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]CCCN2CCCC2)C1 ZINC000235386005 275921411 /nfs/dbraw/zinc/92/14/11/275921411.db2.gz QDUYWNBXMFTTBA-GOEBONIOSA-N 1 3 250.430 3.054 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)CS1 ZINC000488412633 276033585 /nfs/dbraw/zinc/03/35/85/276033585.db2.gz XTEYQOPQGFUTNM-OWCLPIDISA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@H]1C[C@H](NC[C@@H](C)C[NH+]2CCCCC2)CS1 ZINC000488412633 276033586 /nfs/dbraw/zinc/03/35/86/276033586.db2.gz XTEYQOPQGFUTNM-OWCLPIDISA-N 1 3 284.513 3.228 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459342418 276074746 /nfs/dbraw/zinc/07/47/46/276074746.db2.gz LCTIQJFMZKNUCG-CQSZACIVSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459342418 276074749 /nfs/dbraw/zinc/07/47/49/276074749.db2.gz LCTIQJFMZKNUCG-CQSZACIVSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342418 276074751 /nfs/dbraw/zinc/07/47/51/276074751.db2.gz LCTIQJFMZKNUCG-CQSZACIVSA-N 1 3 274.399 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459342418 276074752 /nfs/dbraw/zinc/07/47/52/276074752.db2.gz LCTIQJFMZKNUCG-CQSZACIVSA-N 1 3 274.399 3.086 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000021808000 276196912 /nfs/dbraw/zinc/19/69/12/276196912.db2.gz GATRKWZUXCKXIE-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423329777 276588523 /nfs/dbraw/zinc/58/85/23/276588523.db2.gz FHZKNICCQZAMGU-FPCVCCKLSA-N 1 3 252.446 3.181 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434494374 277059767 /nfs/dbraw/zinc/05/97/67/277059767.db2.gz XQAUANAOYLNVNQ-QGZVFWFLSA-N 1 3 290.426 3.432 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423206435 277268694 /nfs/dbraw/zinc/26/86/94/277268694.db2.gz WXWXNGKLSGXWHI-GDBMZVCRSA-N 1 3 280.843 3.250 20 0 CGADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CCCC[C@@H]3C)C[C@H]2C1 ZINC000424267748 277351655 /nfs/dbraw/zinc/35/16/55/277351655.db2.gz YNIYYPUMYRJPGV-IECFSIQFSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000487532928 277397094 /nfs/dbraw/zinc/39/70/94/277397094.db2.gz FWASDUJAWYITBT-ARFHVFGLSA-N 1 3 266.473 3.379 20 0 CGADHO COC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000346431764 277477305 /nfs/dbraw/zinc/47/73/05/277477305.db2.gz DAAJQIMRYWEQGX-UHFFFAOYSA-N 1 3 294.483 3.331 20 0 CGADHO C1CC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNCC3)C[C@H]2C1 ZINC000422799696 277759278 /nfs/dbraw/zinc/75/92/78/277759278.db2.gz YCHHJUFUBJYCLU-ZJIFWQFVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC23CCC3)C[C@@H](C)O1 ZINC000449103911 277889196 /nfs/dbraw/zinc/88/91/96/277889196.db2.gz SNHSLYNMYGSFTD-BRWVUGGUSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000423252330 278049915 /nfs/dbraw/zinc/04/99/15/278049915.db2.gz XOSHNUPMSOGYDR-KURKYZTESA-N 1 3 289.467 3.059 20 0 CGADHO CC(C)c1ccc([C@H](N)CN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423252330 278049916 /nfs/dbraw/zinc/04/99/16/278049916.db2.gz XOSHNUPMSOGYDR-KURKYZTESA-N 1 3 289.467 3.059 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000422763245 278145588 /nfs/dbraw/zinc/14/55/88/278145588.db2.gz OQEPCAUBXKMPAL-OSAQELSMSA-N 1 3 293.480 3.174 20 0 CGADHO CC(CN1CCC(C)(C)C1)C[N@@H+]1CCC(C)(C)C1 ZINC000173814847 278155953 /nfs/dbraw/zinc/15/59/53/278155953.db2.gz MHYVIGPPWILCSX-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO CC(CN1CCC(C)(C)C1)C[N@H+]1CCC(C)(C)C1 ZINC000173814847 278155954 /nfs/dbraw/zinc/15/59/54/278155954.db2.gz MHYVIGPPWILCSX-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000397396404 288023419 /nfs/dbraw/zinc/02/34/19/288023419.db2.gz PHNHAJVJMRXLNL-RDBSUJKOSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@@H](C[N@@H+]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414657941 278255933 /nfs/dbraw/zinc/25/59/33/278255933.db2.gz PJZMVIBARROSEN-LBPRGKRZSA-N 1 3 286.341 3.104 20 0 CGADHO C[C@@H](C[N@H+]1CCCNCC1)c1ccc(C(F)(F)F)cc1 ZINC000414657941 278255935 /nfs/dbraw/zinc/25/59/35/278255935.db2.gz PJZMVIBARROSEN-LBPRGKRZSA-N 1 3 286.341 3.104 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000347952068 278259752 /nfs/dbraw/zinc/25/97/52/278259752.db2.gz JUBOLRIJMVEXHA-JZXOWHBKSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422850670 278561953 /nfs/dbraw/zinc/56/19/53/278561953.db2.gz NYRWJLRUCSWPFP-RQJABVFESA-N 1 3 292.389 3.333 20 0 CGADHO CCC1(C)CCC([NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000414853031 278622462 /nfs/dbraw/zinc/62/24/62/278622462.db2.gz KMRKKWYXFNKICC-WXLSXGNJSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H](N[C@@H]1CCO[C@@H](CC(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000423039624 288071337 /nfs/dbraw/zinc/07/13/37/288071337.db2.gz FTIJWAGOIOUAKQ-LTIDMASMSA-N 1 3 282.472 3.090 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371589 288085480 /nfs/dbraw/zinc/08/54/80/288085480.db2.gz YLTBZGFIEFIWLG-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371589 288085481 /nfs/dbraw/zinc/08/54/81/288085481.db2.gz YLTBZGFIEFIWLG-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371589 288085483 /nfs/dbraw/zinc/08/54/83/288085483.db2.gz YLTBZGFIEFIWLG-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371589 288085484 /nfs/dbraw/zinc/08/54/84/288085484.db2.gz YLTBZGFIEFIWLG-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000423370856 279027197 /nfs/dbraw/zinc/02/71/97/279027197.db2.gz DXOFVCAUNRPTCZ-VGWMRTNUSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414845511 279097396 /nfs/dbraw/zinc/09/73/96/279097396.db2.gz DPELKUYSAVCGFV-YHUYYLMFSA-N 1 3 254.462 3.425 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)CN(C)C ZINC000425922166 279352931 /nfs/dbraw/zinc/35/29/31/279352931.db2.gz MRECDIQFPYWVPZ-NXHRZFHOSA-N 1 3 274.452 3.185 20 0 CGADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000224973062 279661505 /nfs/dbraw/zinc/66/15/05/279661505.db2.gz PTRUBLHTLWHOOD-YESZJQIVSA-N 1 3 282.472 3.092 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423160028 280261900 /nfs/dbraw/zinc/26/19/00/280261900.db2.gz QHOMPIALHQCCIX-JJXSEGSLSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCCC1 ZINC000430695153 280319167 /nfs/dbraw/zinc/31/91/67/280319167.db2.gz GIVVZJMUJCDEES-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529537847 288260331 /nfs/dbraw/zinc/26/03/31/288260331.db2.gz HPKQEULBWLLBHB-CHWSQXEVSA-N 1 3 274.399 3.130 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000530211658 288300441 /nfs/dbraw/zinc/30/04/41/288300441.db2.gz PHPUAFFPXXHVGU-LSDHHAIUSA-N 1 3 272.417 3.385 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530176166 288294345 /nfs/dbraw/zinc/29/43/45/288294345.db2.gz CENZLJARUHPWLR-NRXISQOPSA-N 1 3 250.430 3.075 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178476 288295273 /nfs/dbraw/zinc/29/52/73/288295273.db2.gz LNGVTMKWDUSMNW-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530178476 288295277 /nfs/dbraw/zinc/29/52/77/288295277.db2.gz LNGVTMKWDUSMNW-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO CCC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCC1 ZINC000530213588 288300898 /nfs/dbraw/zinc/30/08/98/288300898.db2.gz APAAEXJLXSWIAC-HUUCEWRRSA-N 1 3 250.430 3.220 20 0 CGADHO CCC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530213588 288300899 /nfs/dbraw/zinc/30/08/99/288300899.db2.gz APAAEXJLXSWIAC-HUUCEWRRSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329741 281273609 /nfs/dbraw/zinc/27/36/09/281273609.db2.gz WZWPTLYLBAAQMA-CKEIUWERSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1CC[C@H]2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329741 281273612 /nfs/dbraw/zinc/27/36/12/281273612.db2.gz WZWPTLYLBAAQMA-CKEIUWERSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccccc1C(C)(C)[NH2+]CC[C@H]1CCCN1C ZINC000549868360 289057678 /nfs/dbraw/zinc/05/76/78/289057678.db2.gz UXCWWAJWZCDRCT-OAHLLOKOSA-N 1 3 260.425 3.304 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000551309488 289110822 /nfs/dbraw/zinc/11/08/22/289110822.db2.gz UWXHHIHWECVUMS-LEUOFYLZSA-N 1 3 290.426 3.377 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc2n[nH]cc2c1 ZINC000552097630 289162707 /nfs/dbraw/zinc/16/27/07/289162707.db2.gz JHJAIUCGUGMABI-ZDUSSCGKSA-N 1 3 298.434 3.088 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000552900952 289201811 /nfs/dbraw/zinc/20/18/11/289201811.db2.gz HUHLKOBQLFBACT-YESZJQIVSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000552900952 289201814 /nfs/dbraw/zinc/20/18/14/289201814.db2.gz HUHLKOBQLFBACT-YESZJQIVSA-N 1 3 290.451 3.001 20 0 CGADHO CN(CCC[NH2+][C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048913 289253071 /nfs/dbraw/zinc/25/30/71/289253071.db2.gz DYWAZFWSXYFKLF-SJORKVTESA-N 1 3 264.457 3.419 20 0 CGADHO C[N@H+](CCCN[C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048913 289253072 /nfs/dbraw/zinc/25/30/72/289253072.db2.gz DYWAZFWSXYFKLF-SJORKVTESA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](CCCN[C@H]1CC[C@@H]1C1CC1)C1CCCCC1 ZINC000554048913 289253073 /nfs/dbraw/zinc/25/30/73/289253073.db2.gz DYWAZFWSXYFKLF-SJORKVTESA-N 1 3 264.457 3.419 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000341403555 289309013 /nfs/dbraw/zinc/30/90/13/289309013.db2.gz NFGANUVPELRFIH-OBVSXPTNSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879654 289316466 /nfs/dbraw/zinc/31/64/66/289316466.db2.gz ZDISNQOMXNYFPJ-APWZRJJASA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879654 289316470 /nfs/dbraw/zinc/31/64/70/289316470.db2.gz ZDISNQOMXNYFPJ-APWZRJJASA-N 1 3 286.463 3.454 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000556583736 289398357 /nfs/dbraw/zinc/39/83/57/289398357.db2.gz KWKFBROJHFESPD-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1CCC([NH3+])CC1 ZINC000020521486 290243864 /nfs/dbraw/zinc/24/38/64/290243864.db2.gz BZAWIAGXZURKJJ-CYBMUJFWSA-N 1 3 254.377 3.324 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC1(c2ccccc2)CC1 ZINC000422940695 293260860 /nfs/dbraw/zinc/26/08/60/293260860.db2.gz UCSGHJZBSYMBHM-AWEZNQCLSA-N 1 3 281.403 3.189 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422701727 295267340 /nfs/dbraw/zinc/26/73/40/295267340.db2.gz JDEFFDKNUXTWLR-CJNGLKHVSA-N 1 3 292.854 3.479 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000423396787 295306492 /nfs/dbraw/zinc/30/64/92/295306492.db2.gz SOMOXXOBSBEGBY-IIAWOOMASA-N 1 3 262.372 3.063 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000261589303 297109363 /nfs/dbraw/zinc/10/93/63/297109363.db2.gz WGSKHGUMINWGPN-TZMCWYRMSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1c2ccccc2oc1[C@@H](NCCC[NH3+])C(C)C ZINC000420419297 301021684 /nfs/dbraw/zinc/02/16/84/301021684.db2.gz XNIVEGIWSZCVLZ-HNNXBMFYSA-N 1 3 260.381 3.377 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423372811 301893453 /nfs/dbraw/zinc/89/34/53/301893453.db2.gz HEXHYJHBKDGOMH-YCPHGPKFSA-N 1 3 274.408 3.068 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422736192 302102009 /nfs/dbraw/zinc/10/20/09/302102009.db2.gz FTKFOLYCEJRQNJ-LSDHHAIUSA-N 1 3 297.446 3.439 20 0 CGADHO FC1(F)CCC[C@H](CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000420396612 303125910 /nfs/dbraw/zinc/12/59/10/303125910.db2.gz LZKDDFQKURUONY-RRFJBIMHSA-N 1 3 286.410 3.276 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000423396789 303466028 /nfs/dbraw/zinc/46/60/28/303466028.db2.gz SOMOXXOBSBEGBY-YCPHGPKFSA-N 1 3 262.372 3.063 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000563424312 321997177 /nfs/dbraw/zinc/99/71/77/321997177.db2.gz KYUNRMGHOLNBHW-ZJPYXAASSA-N 1 3 288.435 3.014 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccccc2N2CCCCC2)C1 ZINC000563796254 322010627 /nfs/dbraw/zinc/01/06/27/322010627.db2.gz WOERDMRSCCTSGS-DLBZAZTESA-N 1 3 287.451 3.036 20 0 CGADHO CC(C)[C@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)c1ccccc1 ZINC000564569777 322034585 /nfs/dbraw/zinc/03/45/85/322034585.db2.gz CLWLGGLEGPVZQK-VYDXJSESSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1C[C@H](CN)C[C@H]1C)c1ccccc1 ZINC000564569777 322034587 /nfs/dbraw/zinc/03/45/87/322034587.db2.gz CLWLGGLEGPVZQK-VYDXJSESSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@@H](Cc1ccsc1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000565282518 322071590 /nfs/dbraw/zinc/07/15/90/322071590.db2.gz AHOVZCFFRNKVDV-DZGCQCFKSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000565282518 322071591 /nfs/dbraw/zinc/07/15/91/322071591.db2.gz AHOVZCFFRNKVDV-DZGCQCFKSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000565282518 322071592 /nfs/dbraw/zinc/07/15/92/322071592.db2.gz AHOVZCFFRNKVDV-DZGCQCFKSA-N 1 3 266.454 3.095 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000565512818 322080460 /nfs/dbraw/zinc/08/04/60/322080460.db2.gz OYUBRJDBLSRIIZ-USXIJHARSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000565512818 322080462 /nfs/dbraw/zinc/08/04/62/322080462.db2.gz OYUBRJDBLSRIIZ-USXIJHARSA-N 1 3 264.457 3.395 20 0 CGADHO CN(C)CC[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000566054540 322102014 /nfs/dbraw/zinc/10/20/14/322102014.db2.gz JDOSNZSNLJQOKB-QGZVFWFLSA-N 1 3 289.467 3.026 20 0 CGADHO Cc1ncncc1[C@@H](C)NCCCCC[NH+]1CCCCC1 ZINC000566474224 322124916 /nfs/dbraw/zinc/12/49/16/322124916.db2.gz FYDHPZVCARIITJ-OAHLLOKOSA-N 1 3 290.455 3.092 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCNC1 ZINC000567723930 322174677 /nfs/dbraw/zinc/17/46/77/322174677.db2.gz CKWHNAPHCMQPPD-REWJHTLYSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000567868186 322180863 /nfs/dbraw/zinc/18/08/63/322180863.db2.gz VVSGEMHFNWTVBZ-DMRKSPOLSA-N 1 3 294.483 3.185 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000568412759 322208459 /nfs/dbraw/zinc/20/84/59/322208459.db2.gz ILQZGKSERVYKOC-HWWQOWPSSA-N 1 3 280.362 3.202 20 0 CGADHO CC[C@H]1CC[C@@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000568784526 322222759 /nfs/dbraw/zinc/22/27/59/322222759.db2.gz GIAPGAMZOPIYBG-RDJZCZTQSA-N 1 3 264.457 3.419 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000569223176 322239905 /nfs/dbraw/zinc/23/99/05/322239905.db2.gz UOJPSSDTOOGAJS-CQSZACIVSA-N 1 3 284.403 3.313 20 0 CGADHO [NH3+]CCC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000570050328 322263777 /nfs/dbraw/zinc/26/37/77/322263777.db2.gz HWTIPIWJTHJPCQ-UHFFFAOYSA-N 1 3 284.806 3.082 20 0 CGADHO CC[C@H](CSc1ccccc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000570696371 322280061 /nfs/dbraw/zinc/28/00/61/322280061.db2.gz LCLDZBZLBLLELL-KFWWJZLASA-N 1 3 278.465 3.417 20 0 CGADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(OC)c1 ZINC000571165633 322291788 /nfs/dbraw/zinc/29/17/88/322291788.db2.gz CDYPVRIHUUBHBP-SFHVURJKSA-N 1 3 284.403 3.395 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000571431565 322298592 /nfs/dbraw/zinc/29/85/92/322298592.db2.gz SNECFJHXDVCMQT-OALUTQOASA-N 1 3 295.430 3.356 20 0 CGADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)CN(C)C ZINC000572503405 322340667 /nfs/dbraw/zinc/34/06/67/322340667.db2.gz UCCOAFFNUAOBHW-DYVFJYSZSA-N 1 3 294.870 3.448 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000573593180 322396044 /nfs/dbraw/zinc/39/60/44/322396044.db2.gz FHAYUWOOALYSGJ-HUUCEWRRSA-N 1 3 278.440 3.165 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000573593180 322396045 /nfs/dbraw/zinc/39/60/45/322396045.db2.gz FHAYUWOOALYSGJ-HUUCEWRRSA-N 1 3 278.440 3.165 20 0 CGADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000573967517 322416119 /nfs/dbraw/zinc/41/61/19/322416119.db2.gz SLICGDUVSXXZIU-QGZVFWFLSA-N 1 3 254.377 3.386 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(CCCC2CCCCC2)C1 ZINC000582513945 329099563 /nfs/dbraw/zinc/09/95/63/329099563.db2.gz TWWYOBFKAWKPOE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000582578309 329110128 /nfs/dbraw/zinc/11/01/28/329110128.db2.gz VIYHBLKFMYHKQN-HOTGVXAUSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000582578309 329110130 /nfs/dbraw/zinc/11/01/30/329110130.db2.gz VIYHBLKFMYHKQN-HOTGVXAUSA-N 1 3 296.817 3.238 20 0 CGADHO CCc1ccc([C@@H](C)NCC2CC[NH+](CC)CC2)o1 ZINC000580504513 330797709 /nfs/dbraw/zinc/79/77/09/330797709.db2.gz IRWUCHOHPHZXMK-CYBMUJFWSA-N 1 3 264.413 3.225 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000576074334 335149533 /nfs/dbraw/zinc/14/95/33/335149533.db2.gz BPGACACWSLPALQ-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000576074334 335149535 /nfs/dbraw/zinc/14/95/35/335149535.db2.gz BPGACACWSLPALQ-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO [NH3+]C[C@H](NCc1ccnc2ccccc12)C1CCCCC1 ZINC000576959638 335270452 /nfs/dbraw/zinc/27/04/52/335270452.db2.gz UBSZKZGNCFGKII-SFHVURJKSA-N 1 3 283.419 3.232 20 0 CGADHO COc1cccc2c1CCC[C@H]2N[C@@H](C)CC[NH+](C)C ZINC000577176797 335316619 /nfs/dbraw/zinc/31/66/19/335316619.db2.gz PQCKCOCESMUWST-XJKSGUPXSA-N 1 3 276.424 3.002 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[C@H](N(C)C)C2)C1 ZINC000578053751 335472814 /nfs/dbraw/zinc/47/28/14/335472814.db2.gz YTGIUSQXXQAOSQ-HJWJTTGWSA-N 1 3 264.457 3.441 20 0 CGADHO CCOc1ccc(Cl)cc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000578787168 335675505 /nfs/dbraw/zinc/67/55/05/335675505.db2.gz FLFYQTJYDHWGRT-GJZGRUSLSA-N 1 3 296.842 3.141 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000380686555 336016677 /nfs/dbraw/zinc/01/66/77/336016677.db2.gz DLJXTAAUZBUAOH-LSDHHAIUSA-N 1 3 278.440 3.324 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCSC1 ZINC000384103136 336122054 /nfs/dbraw/zinc/12/20/54/336122054.db2.gz FLFBGFWPAUSWRC-QLFBSQMISA-N 1 3 270.486 3.030 20 0 CGADHO COc1ccc(CNC(C)(C)CCC[NH+](C)C)c(F)c1 ZINC000387322047 336191959 /nfs/dbraw/zinc/19/19/59/336191959.db2.gz MYPKFMJNQAPRDS-UHFFFAOYSA-N 1 3 282.403 3.044 20 0 CGADHO C[C@@H](CN1CCC(C[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449009372 533807931 /nfs/dbraw/zinc/80/79/31/533807931.db2.gz HPDMZVTXPQIPQP-ZDUSSCGKSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@H]([NH2+]CCCNC1CC1)c1cc2c(s1)CCCC2 ZINC000423523736 533852677 /nfs/dbraw/zinc/85/26/77/533852677.db2.gz IMFLFGHMXJZHIX-LBPRGKRZSA-N 1 3 278.465 3.420 20 0 CGADHO Cc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1F ZINC000355040936 533919648 /nfs/dbraw/zinc/91/96/48/533919648.db2.gz ODAHNVPBGMANAH-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1F ZINC000355040936 533919656 /nfs/dbraw/zinc/91/96/56/533919656.db2.gz ODAHNVPBGMANAH-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1F ZINC000355040936 533919663 /nfs/dbraw/zinc/91/96/63/533919663.db2.gz ODAHNVPBGMANAH-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)Cc1ccoc1)N1CCCCC1 ZINC000449237558 533944004 /nfs/dbraw/zinc/94/40/04/533944004.db2.gz BZQYJVSJRFURKJ-LSDHHAIUSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](CCN[C@@H](C)Cc1ccoc1)[NH+]1CCCCC1 ZINC000449237558 533944009 /nfs/dbraw/zinc/94/40/09/533944009.db2.gz BZQYJVSJRFURKJ-LSDHHAIUSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCNC1CC1 ZINC000423565705 533982389 /nfs/dbraw/zinc/98/23/89/533982389.db2.gz SXRVHDXRRXBCOM-GFCCVEGCSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)NCCC[NH2+]C1CC1 ZINC000423565705 533982396 /nfs/dbraw/zinc/98/23/96/533982396.db2.gz SXRVHDXRRXBCOM-GFCCVEGCSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000423400469 533985286 /nfs/dbraw/zinc/98/52/86/533985286.db2.gz VMHMAUUXIZOOAF-ZMLRMANQSA-N 1 3 270.779 3.400 20 0 CGADHO Cc1ccc2ncc(C[N@@H+](C)C[C@@H]3CCCN(C)C3)cc2c1 ZINC000411283671 534514014 /nfs/dbraw/zinc/51/40/14/534514014.db2.gz LNMFOFFTVSJIDH-MRXNPFEDSA-N 1 3 297.446 3.317 20 0 CGADHO Cc1ccc2ncc(C[N@H+](C)C[C@@H]3CCCN(C)C3)cc2c1 ZINC000411283671 534514024 /nfs/dbraw/zinc/51/40/24/534514024.db2.gz LNMFOFFTVSJIDH-MRXNPFEDSA-N 1 3 297.446 3.317 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000037643971 522631392 /nfs/dbraw/zinc/63/13/92/522631392.db2.gz XENQXFNQEPKKMO-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643971 522631401 /nfs/dbraw/zinc/63/14/01/522631401.db2.gz XENQXFNQEPKKMO-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643971 522631407 /nfs/dbraw/zinc/63/14/07/522631407.db2.gz XENQXFNQEPKKMO-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000088163836 524573821 /nfs/dbraw/zinc/57/38/21/524573821.db2.gz OAECTNXDJPCDGC-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000088163836 524573825 /nfs/dbraw/zinc/57/38/25/524573825.db2.gz OAECTNXDJPCDGC-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608760 525364052 /nfs/dbraw/zinc/36/40/52/525364052.db2.gz FYQYMEWAJNVZIL-RDJZCZTQSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608760 525364044 /nfs/dbraw/zinc/36/40/44/525364044.db2.gz FYQYMEWAJNVZIL-RDJZCZTQSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(-n2cccn2)c1 ZINC000183608760 525364064 /nfs/dbraw/zinc/36/40/64/525364064.db2.gz FYQYMEWAJNVZIL-RDJZCZTQSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185687148 525368435 /nfs/dbraw/zinc/36/84/35/525368435.db2.gz XTYRGLQPXJELKS-FUHWJXTLSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110137 525565659 /nfs/dbraw/zinc/56/56/59/525565659.db2.gz FBKLEVMJVBQPQD-SUNYJGFJSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110137 525565665 /nfs/dbraw/zinc/56/56/65/525565665.db2.gz FBKLEVMJVBQPQD-SUNYJGFJSA-N 1 3 272.436 3.309 20 0 CGADHO C/C=C\COc1ccc(CC[C@@H](C)NCC(C)(C)[NH3+])cc1 ZINC000423289360 526310904 /nfs/dbraw/zinc/31/09/04/526310904.db2.gz WZVTYDJHNPQOHV-IYKSTZQJSA-N 1 3 290.451 3.290 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000436272757 527766620 /nfs/dbraw/zinc/76/66/20/527766620.db2.gz SMKAFFREYYSLPG-RCCFBDPRSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000436272757 527766626 /nfs/dbraw/zinc/76/66/26/527766626.db2.gz SMKAFFREYYSLPG-RCCFBDPRSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000436272757 527766631 /nfs/dbraw/zinc/76/66/31/527766631.db2.gz SMKAFFREYYSLPG-RCCFBDPRSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423304828 527783425 /nfs/dbraw/zinc/78/34/25/527783425.db2.gz ZQUTVWPJIWRRIB-HUUCEWRRSA-N 1 3 278.440 3.357 20 0 CGADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000126174982 527802806 /nfs/dbraw/zinc/80/28/06/527802806.db2.gz VPSOFGHLJSQZCO-JFIYKMOQSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)Oc2ccc(C)cc2)[C@H](C)C1 ZINC000126174982 527802809 /nfs/dbraw/zinc/80/28/09/527802809.db2.gz VPSOFGHLJSQZCO-JFIYKMOQSA-N 1 3 290.451 3.082 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2coc3ccccc23)C1 ZINC000449089883 527815508 /nfs/dbraw/zinc/81/55/08/527815508.db2.gz LPNFQSRINGDNPX-LSDHHAIUSA-N 1 3 286.419 3.295 20 0 CGADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423315559 528161490 /nfs/dbraw/zinc/16/14/90/528161490.db2.gz IZIBTEYTXJTBEG-CXAGYDPISA-N 1 3 276.424 3.109 20 0 CGADHO CC(C)COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424371015 528173586 /nfs/dbraw/zinc/17/35/86/528173586.db2.gz UMKPWQJCGNYWCR-IAGOWNOFSA-N 1 3 276.424 3.081 20 0 CGADHO CC[NH2+][C@H](C)CN[C@@H](CCc1ccccc1)C(C)C ZINC000423377759 528422357 /nfs/dbraw/zinc/42/23/57/528422357.db2.gz KIXDBVMATKWFBB-WBVHZDCISA-N 1 3 262.441 3.231 20 0 CGADHO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+][C@H]1CCNC1 ZINC000423201583 528438432 /nfs/dbraw/zinc/43/84/32/528438432.db2.gz JAHBAMLINKKLIW-JKSUJKDBSA-N 1 3 280.843 3.249 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1cccc2ccoc21 ZINC000449324033 528442794 /nfs/dbraw/zinc/44/27/94/528442794.db2.gz CRPPAHZSFVMWGL-UHFFFAOYSA-N 1 3 260.381 3.206 20 0 CGADHO CC(C)[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423351334 528591158 /nfs/dbraw/zinc/59/11/58/528591158.db2.gz YVAKTXVBYYWJQG-IAGOWNOFSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000423351334 528591161 /nfs/dbraw/zinc/59/11/61/528591161.db2.gz YVAKTXVBYYWJQG-IAGOWNOFSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C[C@@H]1C ZINC000414933321 528709176 /nfs/dbraw/zinc/70/91/76/528709176.db2.gz DQAVBYBGEPNFNY-UVPYHEFZSA-N 1 3 252.446 3.035 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423287429 528950910 /nfs/dbraw/zinc/95/09/10/528950910.db2.gz MFQQDEBDHQADRN-GOEBONIOSA-N 1 3 275.440 3.215 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423283283 528951259 /nfs/dbraw/zinc/95/12/59/528951259.db2.gz FDVKQVOVMSWUDM-JKSUJKDBSA-N 1 3 260.425 3.430 20 0 CGADHO CC(C)[C@H](NCC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423344145 529119683 /nfs/dbraw/zinc/11/96/83/529119683.db2.gz FBILERGWOAQDKG-INIZCTEOSA-N 1 3 280.362 3.171 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)N)c1ccc(OC(F)(F)F)cc1 ZINC000423287990 529155205 /nfs/dbraw/zinc/15/52/05/529155205.db2.gz PVCULBFRYDUTLU-GFCCVEGCSA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H]1CC1(C)C ZINC000423388234 529184944 /nfs/dbraw/zinc/18/49/44/529184944.db2.gz NIFUMLVAKJMRDG-HZPDHXFCSA-N 1 3 258.409 3.204 20 0 CGADHO CC[C@H](CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422559162 529335143 /nfs/dbraw/zinc/33/51/43/529335143.db2.gz CMDCLOUNQHKGFB-OAHLLOKOSA-N 1 3 258.409 3.008 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483248576 534945760 /nfs/dbraw/zinc/94/57/60/534945760.db2.gz FZUQWXFQMDQKPC-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cc3ccccc3o2)C1 ZINC000459729350 536384685 /nfs/dbraw/zinc/38/46/85/536384685.db2.gz JCMBIUBWTFWLKO-CQSZACIVSA-N 1 3 272.392 3.254 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cc3ccccc3o2)C1 ZINC000459729350 536384686 /nfs/dbraw/zinc/38/46/86/536384686.db2.gz JCMBIUBWTFWLKO-CQSZACIVSA-N 1 3 272.392 3.254 20 0 CGADHO COC1(CNC[C@H]2CCC[N@H+](CC(C)C)C2)CCCCC1 ZINC000480300248 536679026 /nfs/dbraw/zinc/67/90/26/536679026.db2.gz IFBGXJFKGIJWKL-QGZVFWFLSA-N 1 3 296.499 3.293 20 0 CGADHO COC1(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)CCCCC1 ZINC000480300248 536679033 /nfs/dbraw/zinc/67/90/33/536679033.db2.gz IFBGXJFKGIJWKL-QGZVFWFLSA-N 1 3 296.499 3.293 20 0 CGADHO COC1(C[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCCCC1 ZINC000480300248 536679038 /nfs/dbraw/zinc/67/90/38/536679038.db2.gz IFBGXJFKGIJWKL-QGZVFWFLSA-N 1 3 296.499 3.293 20 0 CGADHO Cc1cc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)ccn1 ZINC000926502159 618713666 /nfs/dbraw/zinc/71/36/66/618713666.db2.gz DAVATLCARPJVBC-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000892446857 618787606 /nfs/dbraw/zinc/78/76/06/618787606.db2.gz MGNVTMMOZXXFTI-UHFFFAOYSA-N 1 3 288.357 3.441 20 0 CGADHO COc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000892585733 618867731 /nfs/dbraw/zinc/86/77/31/618867731.db2.gz WXZVOUXTGIYHOW-AWEZNQCLSA-N 1 3 280.412 3.032 20 0 CGADHO COc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000892585733 618867732 /nfs/dbraw/zinc/86/77/32/618867732.db2.gz WXZVOUXTGIYHOW-AWEZNQCLSA-N 1 3 280.412 3.032 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000892668830 618894491 /nfs/dbraw/zinc/89/44/91/618894491.db2.gz REARDEJILLLZMH-NVXWUHKLSA-N 1 3 272.436 3.038 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCc1c[nH]c2cc(Cl)ccc12 ZINC000925520250 619012585 /nfs/dbraw/zinc/01/25/85/619012585.db2.gz LQOMSVTZYAOICW-NHYWBVRUSA-N 1 3 291.826 3.094 20 0 CGADHO C1CC12CCC([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC2 ZINC000925651460 619109584 /nfs/dbraw/zinc/10/95/84/619109584.db2.gz DCKFBAYRLUIRHE-DLBZAZTESA-N 1 3 276.468 3.467 20 0 CGADHO FC1(F)CCCC[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925672650 619123816 /nfs/dbraw/zinc/12/38/16/619123816.db2.gz JGMNJALCQBDOBN-STQMWFEESA-N 1 3 272.383 3.076 20 0 CGADHO FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925672649 619123849 /nfs/dbraw/zinc/12/38/49/619123849.db2.gz JGMNJALCQBDOBN-QWHCGFSZSA-N 1 3 272.383 3.076 20 0 CGADHO C[C@]1(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1(F)F ZINC000925707373 619155256 /nfs/dbraw/zinc/15/52/56/619155256.db2.gz IBUOCGHIGDXHCQ-ILXRZTDVSA-N 1 3 286.410 3.180 20 0 CGADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cc2cnccc2o1 ZINC000925731215 619202863 /nfs/dbraw/zinc/20/28/63/619202863.db2.gz ZHLPZPAYFFBMMG-IACUBPJLSA-N 1 3 287.407 3.384 20 0 CGADHO CCSc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000925733078 619207248 /nfs/dbraw/zinc/20/72/48/619207248.db2.gz SAJFMMAOSHJHBF-UONOGXRCSA-N 1 3 264.438 3.158 20 0 CGADHO CC[C@H](NCC[C@@H]1CCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925736768 619210984 /nfs/dbraw/zinc/21/09/84/619210984.db2.gz ORLLSGBHJMURHZ-IHRRRGAJSA-N 1 3 274.399 3.322 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094366205 619244328 /nfs/dbraw/zinc/24/43/28/619244328.db2.gz FVIIXBXAKMHFHR-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(Br)cc1 ZINC000261563372 619289366 /nfs/dbraw/zinc/28/93/66/619289366.db2.gz BURIIBKBSAGZSE-NRUUGDAUSA-N 1 3 285.229 3.226 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(Br)cc1 ZINC000261563369 619289116 /nfs/dbraw/zinc/28/91/16/619289116.db2.gz BURIIBKBSAGZSE-KWBADKCTSA-N 1 3 285.229 3.226 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000261559546 619289388 /nfs/dbraw/zinc/28/93/88/619289388.db2.gz DRSOZXUJUWDONS-GUBZILKMSA-N 1 3 260.303 3.092 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000261635940 619295460 /nfs/dbraw/zinc/29/54/60/619295460.db2.gz GICZHZBXQIKWTF-KBUPBQIOSA-N 1 3 293.480 3.147 20 0 CGADHO Cc1ncoc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000894072845 619367714 /nfs/dbraw/zinc/36/77/14/619367714.db2.gz RULSEKPBXHAWQU-UHFFFAOYSA-N 1 3 291.439 3.071 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCCc2cc3ccccc3o2)C1 ZINC000902348056 621259557 /nfs/dbraw/zinc/25/95/57/621259557.db2.gz QTFLVOAVJACLGB-HNNXBMFYSA-N 1 3 286.419 3.343 20 0 CGADHO [NH3+]CCCC[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000902393979 621302547 /nfs/dbraw/zinc/30/25/47/621302547.db2.gz TUOLGIBGRNDBJZ-HUUCEWRRSA-N 1 3 280.362 3.277 20 0 CGADHO Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC000902461538 621336130 /nfs/dbraw/zinc/33/61/30/621336130.db2.gz OLPAMWXNJPSYCF-UVLCOCDESA-N 1 3 290.838 3.459 20 0 CGADHO FCCC[C@@H]1CCC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902483285 621353119 /nfs/dbraw/zinc/35/31/19/621353119.db2.gz QMWUIPWPOIQIGF-RRFJBIMHSA-N 1 3 256.409 3.027 20 0 CGADHO CCCC(O)(CCC)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098988 621571787 /nfs/dbraw/zinc/57/17/87/621571787.db2.gz WSDAVDCCTKSHPM-ZXFUBFMLSA-N 1 3 294.483 3.065 20 0 CGADHO CCCC(O)(CCC)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098988 621571793 /nfs/dbraw/zinc/57/17/93/621571793.db2.gz WSDAVDCCTKSHPM-ZXFUBFMLSA-N 1 3 294.483 3.065 20 0 CGADHO c1ccc(C[C@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903122371 621589304 /nfs/dbraw/zinc/58/93/04/621589304.db2.gz YSJDGDMKPFJCKO-AEOXZHQRSA-N 1 3 296.458 3.365 20 0 CGADHO c1ccc(C[C@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122371 621589309 /nfs/dbraw/zinc/58/93/09/621589309.db2.gz YSJDGDMKPFJCKO-AEOXZHQRSA-N 1 3 296.458 3.365 20 0 CGADHO C1=C(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903176879 621613642 /nfs/dbraw/zinc/61/36/42/621613642.db2.gz FOUVVJTYUGOGTR-ZXFUBFMLSA-N 1 3 260.425 3.234 20 0 CGADHO C1=C(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903176879 621613644 /nfs/dbraw/zinc/61/36/44/621613644.db2.gz FOUVVJTYUGOGTR-ZXFUBFMLSA-N 1 3 260.425 3.234 20 0 CGADHO C[C@@H]1CCCC[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903384370 621725209 /nfs/dbraw/zinc/72/52/09/621725209.db2.gz RBORMTILHWSAGL-DJIMGWMZSA-N 1 3 275.440 3.243 20 0 CGADHO COc1ccc([C@@H]2CCCN2C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903718590 621796045 /nfs/dbraw/zinc/79/60/45/621796045.db2.gz PFTJHPKMNLWVAF-YJBOKZPZSA-N 1 3 288.435 3.222 20 0 CGADHO C[C@@H](NCCC[NH3+])c1cccc(SC(F)(F)F)c1 ZINC000903959342 621836996 /nfs/dbraw/zinc/83/69/96/621836996.db2.gz GDYDABBMCOVCOM-SECBINFHSA-N 1 3 278.343 3.298 20 0 CGADHO CC(C)Cc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903955817 621842940 /nfs/dbraw/zinc/84/29/40/621842940.db2.gz ZMNPHYGYSQIQMW-MRXNPFEDSA-N 1 3 296.405 3.220 20 0 CGADHO CCCCCC[C@@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972689 621843825 /nfs/dbraw/zinc/84/38/25/621843825.db2.gz JZTNMKRNUDWXLJ-CVEARBPZSA-N 1 3 282.472 3.094 20 0 CGADHO C[NH2+]CC1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000063159011 623304494 /nfs/dbraw/zinc/30/44/94/623304494.db2.gz SNYJNUQMBYVRLV-LBPRGKRZSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252171006 624878468 /nfs/dbraw/zinc/87/84/68/624878468.db2.gz NYDAPEKHKVSDKX-SJORKVTESA-N 1 3 294.483 3.332 20 0 CGADHO CC[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@@H]1N ZINC000923344971 626148971 /nfs/dbraw/zinc/14/89/71/626148971.db2.gz LPPPYUJKNNQLNJ-GJZGRUSLSA-N 1 3 250.430 3.016 20 0 CGADHO CC[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CC[C@@H]1N ZINC000923344971 626148972 /nfs/dbraw/zinc/14/89/72/626148972.db2.gz LPPPYUJKNNQLNJ-GJZGRUSLSA-N 1 3 250.430 3.016 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)c1 ZINC000765075689 627239375 /nfs/dbraw/zinc/23/93/75/627239375.db2.gz VLWRLWBPMQTPDB-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccn1 ZINC000766080349 627293093 /nfs/dbraw/zinc/29/30/93/627293093.db2.gz DQXWLAKDGRCUPF-GOSISDBHSA-N 1 3 287.451 3.243 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622070 628115384 /nfs/dbraw/zinc/11/53/84/628115384.db2.gz PHYJCEDERZHXBE-KGLIPLIRSA-N 1 3 271.408 3.160 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc3ccccc3[nH]2)C1 ZINC000775622070 628115386 /nfs/dbraw/zinc/11/53/86/628115386.db2.gz PHYJCEDERZHXBE-KGLIPLIRSA-N 1 3 271.408 3.160 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000783291339 628699695 /nfs/dbraw/zinc/69/96/95/628699695.db2.gz OZLHJWWZLQHVGQ-CTASWTNQSA-N 1 3 250.430 3.028 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902777 632232493 /nfs/dbraw/zinc/23/24/93/632232493.db2.gz YAICEXVHJBGDGY-GJZGRUSLSA-N 1 3 287.794 3.012 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902777 632232497 /nfs/dbraw/zinc/23/24/97/632232497.db2.gz YAICEXVHJBGDGY-GJZGRUSLSA-N 1 3 287.794 3.012 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817905270 632233209 /nfs/dbraw/zinc/23/32/09/632233209.db2.gz LQUXOEBIOSHVBZ-QRVBRYPASA-N 1 3 298.430 3.123 20 0 CGADHO C[C@H](NCC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000817936149 632237796 /nfs/dbraw/zinc/23/77/96/632237796.db2.gz HATZIIHJIKYNIW-SRVKXCTJSA-N 1 3 279.255 3.081 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000817945965 632243736 /nfs/dbraw/zinc/24/37/36/632243736.db2.gz OPOQPTDGPSCUHA-RHSMWYFYSA-N 1 3 288.435 3.052 20 0 CGADHO [NH3+]CCc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000817947899 632244852 /nfs/dbraw/zinc/24/48/52/632244852.db2.gz DXZLZJHFEKBWQP-SFHVURJKSA-N 1 3 296.414 3.061 20 0 CGADHO Cc1ccc([C@H](C)NCc2ccc(CC[NH3+])cc2)c(C)n1 ZINC000817949631 632245378 /nfs/dbraw/zinc/24/53/78/632245378.db2.gz SQKXOVNKYVELIO-AWEZNQCLSA-N 1 3 283.419 3.050 20 0 CGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817969250 632262505 /nfs/dbraw/zinc/26/25/05/632262505.db2.gz SRAPZHPRLCWIPA-DLBZAZTESA-N 1 3 288.435 3.194 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000817972225 632266630 /nfs/dbraw/zinc/26/66/30/632266630.db2.gz VGANSJSPKUHJGM-RANZSIQMSA-N 1 3 272.436 3.443 20 0 CGADHO CCCCCC[C@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC000819134604 632386073 /nfs/dbraw/zinc/38/60/73/632386073.db2.gz JHZLEXMVSPFCAN-SFHVURJKSA-N 1 3 296.499 3.314 20 0 CGADHO CCCCCC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000819134604 632386076 /nfs/dbraw/zinc/38/60/76/632386076.db2.gz JHZLEXMVSPFCAN-SFHVURJKSA-N 1 3 296.499 3.314 20 0 CGADHO COC(C)(C)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000865754421 632878827 /nfs/dbraw/zinc/87/88/27/632878827.db2.gz ISYYILIBOJTKGX-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1cccnc1)CN1CCCCC1 ZINC000866236980 633039186 /nfs/dbraw/zinc/03/91/86/633039186.db2.gz ANSHWOZMFICLDB-IAGOWNOFSA-N 1 3 289.467 3.114 20 0 CGADHO CC[C@](C)(CNC1CC[NH+](CC2CCCCC2)CC1)OC ZINC000824744079 633282301 /nfs/dbraw/zinc/28/23/01/633282301.db2.gz ZDGRTEMNWASNJX-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN(CC2CCCCC2)CC1)OC ZINC000824744079 633282306 /nfs/dbraw/zinc/28/23/06/633282306.db2.gz ZDGRTEMNWASNJX-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872017797 633938933 /nfs/dbraw/zinc/93/89/33/633938933.db2.gz DZFLXLQJPAXUTI-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cc(O)ccc1F ZINC000872067448 633989564 /nfs/dbraw/zinc/98/95/64/633989564.db2.gz QQLJYKKXZXZXDE-LBPRGKRZSA-N 1 3 292.398 3.056 20 0 CGADHO CC(C)[N@@H+](Cc1cc2c(s1)CCNC2)CC1CCC1 ZINC000873210927 634286699 /nfs/dbraw/zinc/28/66/99/634286699.db2.gz SIRVGWDWGPAVMO-UHFFFAOYSA-N 1 3 278.465 3.404 20 0 CGADHO CC(C)[N@H+](Cc1cc2c(s1)CCNC2)CC1CCC1 ZINC000873210927 634286709 /nfs/dbraw/zinc/28/67/09/634286709.db2.gz SIRVGWDWGPAVMO-UHFFFAOYSA-N 1 3 278.465 3.404 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2nccc3ccccc32)C1 ZINC000873223068 634290586 /nfs/dbraw/zinc/29/05/86/634290586.db2.gz HOBGQCYCOVNUJF-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO COCCC1([NH2+]CCCC2CCCCC2)CCNCC1 ZINC000873225128 634291247 /nfs/dbraw/zinc/29/12/47/634291247.db2.gz NYMZUJSVZXZVEC-UHFFFAOYSA-N 1 3 282.472 3.095 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1CN)C(F)(F)F ZINC000873247356 634298008 /nfs/dbraw/zinc/29/80/08/634298008.db2.gz LKAPVJREDXWGKC-WDEREUQCSA-N 1 3 266.351 3.072 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C2([C@H]3CCCCO3)CCC2)c2ccccc21 ZINC000873275384 634315722 /nfs/dbraw/zinc/31/57/22/634315722.db2.gz KUVJSOCAFLHWOF-BRWVUGGUSA-N 1 3 286.419 3.213 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccnc1Cl ZINC000840807863 635055382 /nfs/dbraw/zinc/05/53/82/635055382.db2.gz HETQRPNAHYKONF-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1Cl ZINC000840807863 635055385 /nfs/dbraw/zinc/05/53/85/635055385.db2.gz HETQRPNAHYKONF-STQMWFEESA-N 1 3 281.831 3.118 20 0 CGADHO Cc1cc(Cl)ccc1CNCc1ccc(CC[NH3+])cc1 ZINC000841032736 635110338 /nfs/dbraw/zinc/11/03/38/635110338.db2.gz WEYZTRAYPFKDKJ-UHFFFAOYSA-N 1 3 288.822 3.439 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743389 635179669 /nfs/dbraw/zinc/17/96/69/635179669.db2.gz VLUMOIDXUWKFQE-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743389 635179671 /nfs/dbraw/zinc/17/96/71/635179671.db2.gz VLUMOIDXUWKFQE-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743389 635179674 /nfs/dbraw/zinc/17/96/74/635179674.db2.gz VLUMOIDXUWKFQE-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743389 635179678 /nfs/dbraw/zinc/17/96/78/635179678.db2.gz VLUMOIDXUWKFQE-AKHDSKFASA-N 1 3 284.447 3.206 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000842472705 635377374 /nfs/dbraw/zinc/37/73/74/635377374.db2.gz ITNDZJINXWPOSM-INIZCTEOSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000842472705 635377381 /nfs/dbraw/zinc/37/73/81/635377381.db2.gz ITNDZJINXWPOSM-INIZCTEOSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]([NH2+]CCCC1CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000878412425 635496580 /nfs/dbraw/zinc/49/65/80/635496580.db2.gz VADIJNPDGXRMFM-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1csc([C@@H]2CC[N@H+](CCCN3CCCCC3)C2)n1 ZINC000880010095 635898233 /nfs/dbraw/zinc/89/82/33/635898233.db2.gz UJSIDARHXCTZPQ-OAHLLOKOSA-N 1 3 293.480 3.117 20 0 CGADHO Cc1csc([C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)n1 ZINC000880010095 635898236 /nfs/dbraw/zinc/89/82/36/635898236.db2.gz UJSIDARHXCTZPQ-OAHLLOKOSA-N 1 3 293.480 3.117 20 0 CGADHO C[C@H](NCCC[C@@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000844922956 635985342 /nfs/dbraw/zinc/98/53/42/635985342.db2.gz DPLQKDXCDFMACE-QJPTWQEYSA-N 1 3 279.255 3.081 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000844924419 635986379 /nfs/dbraw/zinc/98/63/79/635986379.db2.gz QEQGTOYABXXUCV-VQISRLSMSA-N 1 3 299.821 3.204 20 0 CGADHO CC(C)CCC[C@H](C)NC(=[NH2+])NCCN1CCCCCC1 ZINC000849059583 636734559 /nfs/dbraw/zinc/73/45/59/636734559.db2.gz VIKHYJIVQBGGLJ-INIZCTEOSA-N 1 3 296.503 3.191 20 0 CGADHO Cc1cc(C[N@@H+]2CCNCCC23CCC3)c(C)s1 ZINC000883458593 636761046 /nfs/dbraw/zinc/76/10/46/636761046.db2.gz PPHCIANZTFGXNI-UHFFFAOYSA-N 1 3 264.438 3.083 20 0 CGADHO Cc1cc(C[N@H+]2CCNCCC23CCC3)c(C)s1 ZINC000883458593 636761051 /nfs/dbraw/zinc/76/10/51/636761051.db2.gz PPHCIANZTFGXNI-UHFFFAOYSA-N 1 3 264.438 3.083 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C(C)(C)C(F)F ZINC000850439483 637065056 /nfs/dbraw/zinc/06/50/56/637065056.db2.gz KSPQNEOAYCTFTO-SRVKXCTJSA-N 1 3 262.388 3.129 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886025609 637371975 /nfs/dbraw/zinc/37/19/75/637371975.db2.gz IGTLXSZXUPOHEW-UAGQMJEPSA-N 1 3 264.457 3.086 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222927346 637834181 /nfs/dbraw/zinc/83/41/81/637834181.db2.gz YQQJVOSLGNVYQJ-IMJJTQAJSA-N 1 3 276.424 3.394 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000924752381 638400066 /nfs/dbraw/zinc/40/00/66/638400066.db2.gz NHLXWGDDKORSRV-UKRRQHHQSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cccc([C@H](NCCCC[NH+](C)C)c2ccccn2)c1 ZINC000924853984 638415668 /nfs/dbraw/zinc/41/56/68/638415668.db2.gz KNPGRRSGQMVCIQ-IBGZPJMESA-N 1 3 297.446 3.411 20 0 CGADHO C[C@H](NCc1cccc(O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924898786 638421099 /nfs/dbraw/zinc/42/10/99/638421099.db2.gz AXNSZVMQFJFBGQ-AWEZNQCLSA-N 1 3 284.403 3.305 20 0 CGADHO C[C@@H](NCc1cccc(O)c1)c1cccc(C[NH+](C)C)c1 ZINC000924898788 638421212 /nfs/dbraw/zinc/42/12/12/638421212.db2.gz AXNSZVMQFJFBGQ-CQSZACIVSA-N 1 3 284.403 3.305 20 0 CGADHO CSCCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925096757 638451236 /nfs/dbraw/zinc/45/12/36/638451236.db2.gz CYHNQZVVJITBNF-UHFFFAOYSA-N 1 3 272.502 3.230 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925503899 638512824 /nfs/dbraw/zinc/51/28/24/638512824.db2.gz KWKVMVYLHDKNOU-QRTUWBSPSA-N 1 3 282.497 3.027 20 0 CGADHO CC(C)CSCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925626507 638547364 /nfs/dbraw/zinc/54/73/64/638547364.db2.gz RHPKJZCTYYDZDZ-JKSUJKDBSA-N 1 3 284.513 3.134 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925657426 638559445 /nfs/dbraw/zinc/55/94/45/638559445.db2.gz SGWCGFCCFMGMDZ-CFVMTHIKSA-N 1 3 286.410 3.180 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925657425 638559658 /nfs/dbraw/zinc/55/96/58/638559658.db2.gz SGWCGFCCFMGMDZ-AEGPPILISA-N 1 3 286.410 3.180 20 0 CGADHO CC[C@@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000925696282 638570849 /nfs/dbraw/zinc/57/08/49/638570849.db2.gz KDIUIAFCWDBGHH-NDBYEHHHSA-N 1 3 292.389 3.331 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1(F)F ZINC000925709988 638575400 /nfs/dbraw/zinc/57/54/00/638575400.db2.gz XFILDFOOZGMOSU-RDBSUJKOSA-N 1 3 286.410 3.036 20 0 CGADHO CCn1ccnc1[C@H](C)NCCCCCC1CC[NH2+]CC1 ZINC000925808807 638619874 /nfs/dbraw/zinc/61/98/74/638619874.db2.gz PKUBNEMHTHLWME-HNNXBMFYSA-N 1 3 292.471 3.114 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000926124236 638714788 /nfs/dbraw/zinc/71/47/88/638714788.db2.gz ZVRPDKRSJKUXSQ-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO COc1ccnc([C@H](C)NCCCCC[NH+]2CCCC2)c1 ZINC000926485836 638776002 /nfs/dbraw/zinc/77/60/02/638776002.db2.gz CCQUVQRQHURCTC-HNNXBMFYSA-N 1 3 291.439 3.007 20 0 CGADHO CCC(C)(C)OCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926560689 638785333 /nfs/dbraw/zinc/78/53/33/638785333.db2.gz VLLSWPSBBPKELS-UHFFFAOYSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@@H](NCc1ccc(CO)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926630343 638792176 /nfs/dbraw/zinc/79/21/76/638792176.db2.gz DCGSUPQSZRJALG-OAHLLOKOSA-N 1 3 298.430 3.091 20 0 CGADHO CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252858389 640865084 /nfs/dbraw/zinc/86/50/84/640865084.db2.gz LVUOIJLGPUVDOU-SZMVWBNQSA-N 1 3 288.435 3.033 20 0 CGADHO CN(C1CC1)C1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254445419 806401289 /nfs/dbraw/zinc/40/12/89/806401289.db2.gz MUZMLNHFQWXSSJ-UHFFFAOYSA-N 1 3 262.441 3.268 20 0 CGADHO C[N@H+](C1CC1)C1CCN(C2CCC3(CC3)CC2)CC1 ZINC001254445419 806401293 /nfs/dbraw/zinc/40/12/93/806401293.db2.gz MUZMLNHFQWXSSJ-UHFFFAOYSA-N 1 3 262.441 3.268 20 0 CGADHO C[N@@H+](C1CC1)C1CCN(C2CCC3(CC3)CC2)CC1 ZINC001254445419 806401297 /nfs/dbraw/zinc/40/12/97/806401297.db2.gz MUZMLNHFQWXSSJ-UHFFFAOYSA-N 1 3 262.441 3.268 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C3CCc4ccccc4CC3)C[C@@H]2C1 ZINC001254462382 806412019 /nfs/dbraw/zinc/41/20/19/806412019.db2.gz AJFNDNWCSNQYQU-KDURUIRLSA-N 1 3 298.474 3.208 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C3CCc4ccccc4CC3)C[C@@H]2C1 ZINC001254462382 806412025 /nfs/dbraw/zinc/41/20/25/806412025.db2.gz AJFNDNWCSNQYQU-KDURUIRLSA-N 1 3 298.474 3.208 20 0 CGADHO C[N@@H+]1CCC[C@@H](NCCOc2cccc3ccccc32)CC1 ZINC001254506725 806426703 /nfs/dbraw/zinc/42/67/03/806426703.db2.gz YOXNBTMPIJCEAX-QGZVFWFLSA-N 1 3 298.430 3.293 20 0 CGADHO C[N@H+]1CCC[C@@H](NCCOc2cccc3ccccc32)CC1 ZINC001254506725 806426710 /nfs/dbraw/zinc/42/67/10/806426710.db2.gz YOXNBTMPIJCEAX-QGZVFWFLSA-N 1 3 298.430 3.293 20 0 CGADHO CN1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001254506755 806427994 /nfs/dbraw/zinc/42/79/94/806427994.db2.gz ZCZPKVQCPUELAQ-CQSZACIVSA-N 1 3 258.365 3.007 20 0 CGADHO C[N@@H+]1CCC[C@@H](NC(C)(C)c2ccc(F)cc2)CC1 ZINC001254509509 806431313 /nfs/dbraw/zinc/43/13/13/806431313.db2.gz OQWJMXCSDXYLPJ-OAHLLOKOSA-N 1 3 264.388 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](NC(C)(C)c2ccc(F)cc2)CC1 ZINC001254509509 806431316 /nfs/dbraw/zinc/43/13/16/806431316.db2.gz OQWJMXCSDXYLPJ-OAHLLOKOSA-N 1 3 264.388 3.135 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517322 806436670 /nfs/dbraw/zinc/43/66/70/806436670.db2.gz ULIRWUOZQAJVTD-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517322 806436674 /nfs/dbraw/zinc/43/66/74/806436674.db2.gz ULIRWUOZQAJVTD-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@@H+]1CCC[C@H](N2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530050 806443016 /nfs/dbraw/zinc/44/30/16/806443016.db2.gz UFAIJLKINNXYOU-INIZCTEOSA-N 1 3 272.436 3.264 20 0 CGADHO C[N@H+]1CCC[C@H](N2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530050 806443019 /nfs/dbraw/zinc/44/30/19/806443019.db2.gz UFAIJLKINNXYOU-INIZCTEOSA-N 1 3 272.436 3.264 20 0 CGADHO C[N@@H+]1CCC[C@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001255467970 806646894 /nfs/dbraw/zinc/64/68/94/806646894.db2.gz MXEOPPVMUYENSY-ZDUSSCGKSA-N 1 3 277.799 3.020 20 0 CGADHO C[N@H+]1CCC[C@H](n2c(CN)cc3cc(Cl)ccc32)C1 ZINC001255467970 806646897 /nfs/dbraw/zinc/64/68/97/806646897.db2.gz MXEOPPVMUYENSY-ZDUSSCGKSA-N 1 3 277.799 3.020 20 0 CGADHO C[N@@H+]1CCC[C@@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001255489535 806651060 /nfs/dbraw/zinc/65/10/60/806651060.db2.gz OWXMOLHGDUNKID-GDBMZVCRSA-N 1 3 298.434 3.118 20 0 CGADHO C[N@H+]1CCC[C@@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001255489535 806651062 /nfs/dbraw/zinc/65/10/62/806651062.db2.gz OWXMOLHGDUNKID-GDBMZVCRSA-N 1 3 298.434 3.118 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(C3CCC(C(F)(F)F)CC3)C2)C1 ZINC001255520415 806661532 /nfs/dbraw/zinc/66/15/32/806661532.db2.gz FNQZSICRTAPYGI-RUXDESIVSA-N 1 3 290.373 3.135 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(C3CCC(C(F)(F)F)CC3)C2)C1 ZINC001255520415 806661536 /nfs/dbraw/zinc/66/15/36/806661536.db2.gz FNQZSICRTAPYGI-RUXDESIVSA-N 1 3 290.373 3.135 20 0 CGADHO Cc1nc2ccc(NCc3ccc4c(c3)CC[NH2+]C4)cc2[nH]1 ZINC001162807891 806668039 /nfs/dbraw/zinc/66/80/39/806668039.db2.gz SZJJWKQFLMAPDH-UHFFFAOYSA-N 1 3 292.386 3.129 20 0 CGADHO Cc1ccc(SC[C@H](C)N(C)C[C@H](C)C[NH3+])cc1 ZINC001255755474 806737841 /nfs/dbraw/zinc/73/78/41/806737841.db2.gz LJDDZZHXIYHXES-KGLIPLIRSA-N 1 3 266.454 3.002 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001255772966 806744571 /nfs/dbraw/zinc/74/45/71/806744571.db2.gz RFAFXEJGTPSGNP-MRXNPFEDSA-N 1 3 262.441 3.248 20 0 CGADHO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381799687 799386740 /nfs/dbraw/zinc/38/67/40/799386740.db2.gz RSDGXOVFPVMQFX-QVDQZQSHSA-N 1 3 278.827 3.239 20 0 CGADHO CC(C)Oc1cccc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC000383819231 799408850 /nfs/dbraw/zinc/40/88/50/799408850.db2.gz HHCIYAPVTFPBDW-MRXNPFEDSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@H]1CC([NH+]2CCC(Cc3ccccc3)CC2)C[C@H](C)N1 ZINC000385909282 799428832 /nfs/dbraw/zinc/42/88/32/799428832.db2.gz GBXGLACLDAURGT-HOTGVXAUSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000393002254 799484061 /nfs/dbraw/zinc/48/40/61/799484061.db2.gz UKHNETXSXIDRDQ-HNNXBMFYSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000490065054 799654351 /nfs/dbraw/zinc/65/43/51/799654351.db2.gz DMJDVKNCQCNAJM-IBGZPJMESA-N 1 3 286.463 3.428 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3ccnc(Cl)c3)CC2)CC1 ZINC000691939197 799790081 /nfs/dbraw/zinc/79/00/81/799790081.db2.gz SHGDVCYEZXQVCO-UHFFFAOYSA-N 1 3 293.842 3.043 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(N(C)C)cc1 ZINC001255943611 806791264 /nfs/dbraw/zinc/79/12/64/806791264.db2.gz OOUAESWMDKCAKR-INIZCTEOSA-N 1 3 291.483 3.005 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCC(F)(F)F ZINC001255948491 806793815 /nfs/dbraw/zinc/79/38/15/806793815.db2.gz MHDUQOIGEXHGLZ-LLVKDONJSA-N 1 3 254.340 3.039 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCCc3ccccc31)[NH2+]2 ZINC000709384275 800007701 /nfs/dbraw/zinc/00/77/01/800007701.db2.gz HWAYURDKLBPHSE-MZJJYOIFSA-N 1 3 270.420 3.183 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C)CC2)C1 ZINC000710324818 800034011 /nfs/dbraw/zinc/03/40/11/800034011.db2.gz IZADTFJFVNAJSS-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000715509019 800136394 /nfs/dbraw/zinc/13/63/94/800136394.db2.gz YKTODNOUMITESM-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO CSc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000715551894 800138865 /nfs/dbraw/zinc/13/88/65/800138865.db2.gz KZDJGRZMFQUUBP-LSDHHAIUSA-N 1 3 278.465 3.371 20 0 CGADHO Cc1nc([C@@H](C)NC2CCC(C)([NH+](C)C)CC2)cs1 ZINC000715543493 800138931 /nfs/dbraw/zinc/13/89/31/800138931.db2.gz OFQHHYHWKSAQRU-NUYPLMSZSA-N 1 3 281.469 3.365 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715582071 800139486 /nfs/dbraw/zinc/13/94/86/800139486.db2.gz WSXRBPWOULMDLX-KBRIMQKVSA-N 1 3 278.415 3.219 20 0 CGADHO CC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716718478 800179305 /nfs/dbraw/zinc/17/93/05/800179305.db2.gz OPBWCCLZCUDPOG-KSZLIROESA-N 1 3 284.447 3.429 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000718751432 800221478 /nfs/dbraw/zinc/22/14/78/800221478.db2.gz JSOBURVLEWQEEA-YESZJQIVSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000718756054 800222009 /nfs/dbraw/zinc/22/20/09/800222009.db2.gz WCZFMTMKBLEPLI-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001117713833 802479986 /nfs/dbraw/zinc/47/99/86/802479986.db2.gz YJPSSMDEKVSGPB-MZKHAQQWSA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)c1nc(CNCCCC[N@H+](C)C2CC2)cs1 ZINC001118034343 802520401 /nfs/dbraw/zinc/52/04/01/802520401.db2.gz YIRMRUIFSXBUNN-UHFFFAOYSA-N 1 3 281.469 3.231 20 0 CGADHO CC(C)c1nc(CNCCCC[N@@H+](C)C2CC2)cs1 ZINC001118034343 802520411 /nfs/dbraw/zinc/52/04/11/802520411.db2.gz YIRMRUIFSXBUNN-UHFFFAOYSA-N 1 3 281.469 3.231 20 0 CGADHO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC001200813181 811748339 /nfs/dbraw/zinc/74/83/39/811748339.db2.gz VIGDJSSZFRHZAM-DLBZAZTESA-N 1 3 290.451 3.438 20 0 CGADHO C[NH2+]Cc1cccc(-c2ncccc2CN2CCCC2)c1F ZINC001244857590 803551084 /nfs/dbraw/zinc/55/10/84/803551084.db2.gz AMIXBPPESDPFMW-UHFFFAOYSA-N 1 3 299.393 3.203 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(Cl)cn2)CC1 ZINC001136929150 803660792 /nfs/dbraw/zinc/66/07/92/803660792.db2.gz BWRVNXZGHSEJFQ-UHFFFAOYSA-N 1 3 295.858 3.287 20 0 CGADHO CN(C)Cc1cccc(-c2ccc(C(C)(C)[NH3+])cc2)n1 ZINC001245907484 804034822 /nfs/dbraw/zinc/03/48/22/804034822.db2.gz SPBHJBVZAIAWQP-UHFFFAOYSA-N 1 3 269.392 3.004 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246065235 804106326 /nfs/dbraw/zinc/10/63/26/804106326.db2.gz KBMBYKOARJXUQT-QPSCCSFWSA-N 1 3 252.446 3.321 20 0 CGADHO CCCOc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC001139002079 804106740 /nfs/dbraw/zinc/10/67/40/804106740.db2.gz ROAMERIRBHVZEI-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC001246066591 804106938 /nfs/dbraw/zinc/10/69/38/804106938.db2.gz RQUBCYMDKHPIMW-ZJIFWQFVSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@H](Cc1ccccc1)N[C@@H](C[NH3+])c1ccccc1 ZINC001246077118 804115935 /nfs/dbraw/zinc/11/59/35/804115935.db2.gz QUGXQWUXFQLWHI-MSOLQXFVSA-N 1 3 268.404 3.297 20 0 CGADHO Clc1ccc(C2CCC([NH2+]CC3CNC3)CC2)cc1 ZINC001246089683 804121829 /nfs/dbraw/zinc/12/18/29/804121829.db2.gz AXGYEQDASLQWFF-UHFFFAOYSA-N 1 3 278.827 3.175 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CCc2ccc(C)cc2)CCN1 ZINC001246094076 804126756 /nfs/dbraw/zinc/12/67/56/804126756.db2.gz FUCBQRGVMVSVKD-ZWKOTPCHSA-N 1 3 274.452 3.438 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccc(C)cc2)CC[NH2+]1 ZINC001246094076 804126761 /nfs/dbraw/zinc/12/67/61/804126761.db2.gz FUCBQRGVMVSVKD-ZWKOTPCHSA-N 1 3 274.452 3.438 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@H]1CCC[NH2+][C@H]1C ZINC001246113264 804144828 /nfs/dbraw/zinc/14/48/28/804144828.db2.gz TVQBXKZOFWJERV-FRRDWIJNSA-N 1 3 298.833 3.388 20 0 CGADHO Fc1cccc(Cl)c1CN[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246156946 804172159 /nfs/dbraw/zinc/17/21/59/804172159.db2.gz DEKSGHYSXDWKHO-GFCCVEGCSA-N 1 3 296.817 3.491 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2ccccc2Cl)CC[NH2+]1 ZINC001246154671 804172348 /nfs/dbraw/zinc/17/23/48/804172348.db2.gz BPQDKUIPVOPWCT-GDBMZVCRSA-N 1 3 280.843 3.249 20 0 CGADHO CCc1ccc(CCN[C@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246158878 804175324 /nfs/dbraw/zinc/17/53/24/804175324.db2.gz NDGPOVNQLIOAET-ROUUACIJSA-N 1 3 274.452 3.158 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246177632 804192604 /nfs/dbraw/zinc/19/26/04/804192604.db2.gz CLAYCBNHEGIMRI-DIYAKSSWSA-N 1 3 276.468 3.466 20 0 CGADHO CC(C)[C@@H]1C[C@H](N[C@H](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC001246179402 804194013 /nfs/dbraw/zinc/19/40/13/804194013.db2.gz MWATUNAVCIGRCC-XYPHTWIQSA-N 1 3 278.415 3.123 20 0 CGADHO Cc1ccc(CC[C@@H](C)N[C@]2(C)CCC[NH2+]C2)cc1 ZINC001246191661 804200262 /nfs/dbraw/zinc/20/02/62/804200262.db2.gz WWEAKESLSSFXKV-NVXWUHKLSA-N 1 3 260.425 3.048 20 0 CGADHO CCCC[C@H](CC)COCCC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246217104 804211684 /nfs/dbraw/zinc/21/16/84/804211684.db2.gz PUQVJFQJQXCGCE-IKGGRYGDSA-N 1 3 284.488 3.340 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246237000 804228441 /nfs/dbraw/zinc/22/84/41/804228441.db2.gz FRFUHUVGMGFENA-DOMZBBRYSA-N 1 3 278.827 3.102 20 0 CGADHO C[C@@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246237000 804228443 /nfs/dbraw/zinc/22/84/43/804228443.db2.gz FRFUHUVGMGFENA-DOMZBBRYSA-N 1 3 278.827 3.102 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246236498 804228572 /nfs/dbraw/zinc/22/85/72/804228572.db2.gz LTRFUXJJGQDDTF-BZSNNMDCSA-N 1 3 286.463 3.300 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1 ZINC001246240593 804232731 /nfs/dbraw/zinc/23/27/31/804232731.db2.gz RPCDWLGERGJIHU-JKSUJKDBSA-N 1 3 252.446 3.467 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]CC(C)(C)CN ZINC001246242953 804234853 /nfs/dbraw/zinc/23/48/53/804234853.db2.gz FUVJFZXRZAWDOL-MRXNPFEDSA-N 1 3 262.441 3.362 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)CN ZINC001246250102 804238531 /nfs/dbraw/zinc/23/85/31/804238531.db2.gz OVIXBHXLWCUBPJ-NSHDSACASA-N 1 3 288.357 3.211 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246266532 804245401 /nfs/dbraw/zinc/24/54/01/804245401.db2.gz GQJAIVAJCYMUET-YYIAUSFCSA-N 1 3 272.436 3.299 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](N)CC(C)C)cc1 ZINC001246298580 804266469 /nfs/dbraw/zinc/26/64/69/804266469.db2.gz BILFIUONEBRGOG-GJZGRUSLSA-N 1 3 280.481 3.439 20 0 CGADHO C[C@H](CCN)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246301272 804267946 /nfs/dbraw/zinc/26/79/46/804267946.db2.gz QZRULHOZJDJPPQ-BXKDBHETSA-N 1 3 287.234 3.178 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H](C)Cc1cccc(Cl)c1 ZINC001246310870 804273728 /nfs/dbraw/zinc/27/37/28/804273728.db2.gz OGEIRTNZFPHQIZ-SWLSCSKDSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CC2CCCCC2)CCN1 ZINC001246313285 804275673 /nfs/dbraw/zinc/27/56/73/804275673.db2.gz BXQZMFMSHYOXMA-IMJJTQAJSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246331857 804286695 /nfs/dbraw/zinc/28/66/95/804286695.db2.gz KBMBYKOARJXUQT-BYNSBNAKSA-N 1 3 252.446 3.321 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2C[C@@H](C)N[C@@H](C)C2)CC1 ZINC001246336534 804290885 /nfs/dbraw/zinc/29/08/85/804290885.db2.gz GIYIRHCUXKINKZ-OAADTKLRSA-N 1 3 252.446 3.464 20 0 CGADHO CC(C)[C@@H]1C[C@H](N[C@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246337157 804291402 /nfs/dbraw/zinc/29/14/02/804291402.db2.gz XIJYERYJRODGHY-ILXRZTDVSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)C[C@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246344537 804296920 /nfs/dbraw/zinc/29/69/20/804296920.db2.gz BOMLZYCZUIPAPB-CYBMUJFWSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC1(C[NH3+])CCC1 ZINC001246355622 804301602 /nfs/dbraw/zinc/30/16/02/804301602.db2.gz KYEGDFCBYUJQTF-JTQLQIEISA-N 1 3 287.234 3.395 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)CC2)CCN1 ZINC001246358310 804303848 /nfs/dbraw/zinc/30/38/48/804303848.db2.gz CVXULYMIJVHFNZ-XUWVNRHRSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H](Cc1ccccc1Br)[NH2+]C(C)(C)CCN ZINC001246364006 804306395 /nfs/dbraw/zinc/30/63/95/804306395.db2.gz RPDNZENEXOJRKR-NSHDSACASA-N 1 3 299.256 3.097 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246371942 804309175 /nfs/dbraw/zinc/30/91/75/804309175.db2.gz KFINZKRPSWMQRM-DLBZAZTESA-N 1 3 274.452 3.436 20 0 CGADHO CCCCC(CCCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246390395 804318220 /nfs/dbraw/zinc/31/82/20/804318220.db2.gz LGBVCVUNSWAMAC-UHFFFAOYSA-N 1 3 284.488 3.484 20 0 CGADHO Fc1ccc(CC2([NH2+]C3CCCCC3)CCNCC2)cc1 ZINC001246392226 804318292 /nfs/dbraw/zinc/31/82/92/804318292.db2.gz RINHSLLVZYGGPU-UHFFFAOYSA-N 1 3 290.426 3.413 20 0 CGADHO CC(C)(CC1CC1)[NH2+][C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246396396 804319176 /nfs/dbraw/zinc/31/91/76/804319176.db2.gz ZHXKJWOVBQMEPY-KGLIPLIRSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccc(F)c2)C[C@H](C)N1 ZINC001246411002 804323472 /nfs/dbraw/zinc/32/34/72/804323472.db2.gz NMZQYIPYTNYCFE-YWVIFJGQSA-N 1 3 278.415 3.265 20 0 CGADHO C[C@@H]1CC(NCCc2cccc(Cl)c2F)C[C@@H](C)[NH2+]1 ZINC001246419990 804328174 /nfs/dbraw/zinc/32/81/74/804328174.db2.gz IEWYFOPWAJMGMH-GHMZBOCLSA-N 1 3 284.806 3.140 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CCNCC2)C1 ZINC001246432800 804330927 /nfs/dbraw/zinc/33/09/27/804330927.db2.gz YBFPMMVNOPAVOC-KGLIPLIRSA-N 1 3 276.399 3.183 20 0 CGADHO Fc1ccccc1C1([NH2+]C2CCCCC2)CCNCC1 ZINC001246438285 804334943 /nfs/dbraw/zinc/33/49/43/804334943.db2.gz RYZGTGDUKWUBNP-UHFFFAOYSA-N 1 3 276.399 3.327 20 0 CGADHO CCC[C@H](CC)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246446562 804336120 /nfs/dbraw/zinc/33/61/20/804336120.db2.gz MBMFZPABIHFWAQ-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@@]1([NH2+]C2CCC(c3ccccc3)CC2)CCNC1 ZINC001246456482 804337459 /nfs/dbraw/zinc/33/74/59/804337459.db2.gz BDLJYLXDGUMEBL-DAWZGUTISA-N 1 3 272.436 3.445 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246461326 804342762 /nfs/dbraw/zinc/34/27/62/804342762.db2.gz OYBJQMASSWLKDQ-YESZJQIVSA-N 1 3 260.425 3.257 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246461326 804342768 /nfs/dbraw/zinc/34/27/68/804342768.db2.gz OYBJQMASSWLKDQ-YESZJQIVSA-N 1 3 260.425 3.257 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246463923 804344827 /nfs/dbraw/zinc/34/48/27/804344827.db2.gz UUAGYRHTCSJWRJ-XLAORIBOSA-N 1 3 272.436 3.443 20 0 CGADHO CCC(C)(C)C1CCC(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246473866 804351103 /nfs/dbraw/zinc/35/11/03/804351103.db2.gz KXIKMDARVDGHQC-LMCYLSQRSA-N 1 3 276.468 3.345 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H](NC)C1 ZINC001246496348 804361472 /nfs/dbraw/zinc/36/14/72/804361472.db2.gz MPPGBGQKWLVMDP-ZACQAIPSSA-N 1 3 260.425 3.128 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246515205 804369889 /nfs/dbraw/zinc/36/98/89/804369889.db2.gz KHXIUFBQCOONBC-DZKIICNBSA-N 1 3 254.462 3.425 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246517535 804372323 /nfs/dbraw/zinc/37/23/23/804372323.db2.gz MOBUGHCWQKSOEQ-CVEARBPZSA-N 1 3 254.462 3.425 20 0 CGADHO CC(C)(C)C1CC[NH+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246544934 804392763 /nfs/dbraw/zinc/39/27/63/804392763.db2.gz DWQVUTLDKKZJDA-OAHLLOKOSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCN([C@H]2CCc3cccc(Cl)c3C2)C[C@H]1C[NH3+] ZINC001246547043 804396879 /nfs/dbraw/zinc/39/68/79/804396879.db2.gz AJUQTNMYSJDNQV-YUELXQCFSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@]1([NH3+])CCCN([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548043 804398673 /nfs/dbraw/zinc/39/86/73/804398673.db2.gz FGFSLIJIHZTBIF-CVEARBPZSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC001246551240 804400578 /nfs/dbraw/zinc/40/05/78/804400578.db2.gz XOYOCGMDLRKZRW-QMCVQRASSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551240 804400582 /nfs/dbraw/zinc/40/05/82/804400582.db2.gz XOYOCGMDLRKZRW-QMCVQRASSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)Cc2ccccc21 ZINC001246551240 804400586 /nfs/dbraw/zinc/40/05/86/804400586.db2.gz XOYOCGMDLRKZRW-QMCVQRASSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1CCC[C@](C)([NH3+])CC1 ZINC001246552395 804401926 /nfs/dbraw/zinc/40/19/26/804401926.db2.gz OGHCSVNBQHVOAE-BBRMVZONSA-N 1 3 280.843 3.474 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001246552592 804402973 /nfs/dbraw/zinc/40/29/73/804402973.db2.gz QRZMCKSTYVFZII-VGWMRTNUSA-N 1 3 254.462 3.364 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001246552592 804402975 /nfs/dbraw/zinc/40/29/75/804402975.db2.gz QRZMCKSTYVFZII-VGWMRTNUSA-N 1 3 254.462 3.364 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246559614 804408767 /nfs/dbraw/zinc/40/87/67/804408767.db2.gz SJOPIYQEUWKIIN-BFHYXJOUSA-N 1 3 276.415 3.363 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246563032 804412310 /nfs/dbraw/zinc/41/23/10/804412310.db2.gz ISDKGSUUNORDPI-YHNBSYBMSA-N 1 3 252.446 3.260 20 0 CGADHO CC(C)C1CCC([N@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246563032 804412313 /nfs/dbraw/zinc/41/23/13/804412313.db2.gz ISDKGSUUNORDPI-YHNBSYBMSA-N 1 3 252.446 3.260 20 0 CGADHO [NH3+]C[C@]1(F)CCCCN([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576418 804423024 /nfs/dbraw/zinc/42/30/24/804423024.db2.gz KDYTYEFIKKGUTL-KZNAEPCWSA-N 1 3 290.426 3.476 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001246590057 804431086 /nfs/dbraw/zinc/43/10/86/804431086.db2.gz IBHZXSZNIMBMST-XYJFISCASA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001246590057 804431092 /nfs/dbraw/zinc/43/10/92/804431092.db2.gz IBHZXSZNIMBMST-XYJFISCASA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246607300 804441650 /nfs/dbraw/zinc/44/16/50/804441650.db2.gz GJDSELYQLBZJML-SJLPKXTDSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246607300 804441654 /nfs/dbraw/zinc/44/16/54/804441654.db2.gz GJDSELYQLBZJML-SJLPKXTDSA-N 1 3 272.436 3.144 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623361 804455622 /nfs/dbraw/zinc/45/56/22/804455622.db2.gz QCMRGVCNHWWZSG-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CCc1ccc(C[C@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246630983 804460060 /nfs/dbraw/zinc/46/00/60/804460060.db2.gz QKOYMHQDXZYHIT-LPHOPBHVSA-N 1 3 286.463 3.256 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246632495 804462372 /nfs/dbraw/zinc/46/23/72/804462372.db2.gz VXVJIQMEOTWDSJ-YOEHRIQHSA-N 1 3 292.854 3.347 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634349 804464076 /nfs/dbraw/zinc/46/40/76/804464076.db2.gz BVUOZYOAXYSCNV-RCCFBDPRSA-N 1 3 296.499 3.149 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CCCC12CCNCC2 ZINC001246648831 804477187 /nfs/dbraw/zinc/47/71/87/804477187.db2.gz ZWXHDSZCMFCWFX-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CCCC12CCNCC2 ZINC001246648831 804477190 /nfs/dbraw/zinc/47/71/90/804477190.db2.gz ZWXHDSZCMFCWFX-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CC1(C)CCC[C@H]([N@@H+]2CCCC23CCNCC3)C1 ZINC001246656529 804482621 /nfs/dbraw/zinc/48/26/21/804482621.db2.gz UQKFWHMALSLJJA-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@H]([N@H+]2CCCC23CCNCC3)C1 ZINC001246656529 804482628 /nfs/dbraw/zinc/48/26/28/804482628.db2.gz UQKFWHMALSLJJA-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246669528 804488447 /nfs/dbraw/zinc/48/84/47/804488447.db2.gz BDWSGVXNZYQRQF-KSZLIROESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246669528 804488450 /nfs/dbraw/zinc/48/84/50/804488450.db2.gz BDWSGVXNZYQRQF-KSZLIROESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246669528 804488452 /nfs/dbraw/zinc/48/84/52/804488452.db2.gz BDWSGVXNZYQRQF-KSZLIROESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246779478 804506714 /nfs/dbraw/zinc/50/67/14/804506714.db2.gz HUXWDHPWTQIVER-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246779478 804506720 /nfs/dbraw/zinc/50/67/20/804506720.db2.gz HUXWDHPWTQIVER-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246781066 804508618 /nfs/dbraw/zinc/50/86/18/804508618.db2.gz XJKHSTNQARQSAN-DLBZAZTESA-N 1 3 272.436 3.397 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246781066 804508620 /nfs/dbraw/zinc/50/86/20/804508620.db2.gz XJKHSTNQARQSAN-DLBZAZTESA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246784950 804509753 /nfs/dbraw/zinc/50/97/53/804509753.db2.gz HNDCGGGABBHUDP-QMCVRULOSA-N 1 3 262.441 3.028 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246784950 804509758 /nfs/dbraw/zinc/50/97/58/804509758.db2.gz HNDCGGGABBHUDP-QMCVRULOSA-N 1 3 262.441 3.028 20 0 CGADHO CC[C@H]1CCC[N@@H+]1[C@@H]1CCNC2(CCCCC2)C1 ZINC001246803490 804523688 /nfs/dbraw/zinc/52/36/88/804523688.db2.gz KZGQQULDRWWSCQ-LSDHHAIUSA-N 1 3 250.430 3.316 20 0 CGADHO CC[C@H]1CCC[N@H+]1[C@@H]1CCNC2(CCCCC2)C1 ZINC001246803490 804523693 /nfs/dbraw/zinc/52/36/93/804523693.db2.gz KZGQQULDRWWSCQ-LSDHHAIUSA-N 1 3 250.430 3.316 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1CCC([NH2+]C)CC1 ZINC001246808765 804527618 /nfs/dbraw/zinc/52/76/18/804527618.db2.gz YXMFPTUTDVRVER-GOSISDBHSA-N 1 3 274.452 3.472 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815453 804532622 /nfs/dbraw/zinc/53/26/22/804532622.db2.gz CVTLFUZEWJMFQK-ROUUACIJSA-N 1 3 272.436 3.211 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829531 804541358 /nfs/dbraw/zinc/54/13/58/804541358.db2.gz KWSYJQJSDHIRTP-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829531 804541361 /nfs/dbraw/zinc/54/13/61/804541361.db2.gz KWSYJQJSDHIRTP-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N(C)C[C@H]1CCC[NH2+]C1 ZINC001246840205 804547617 /nfs/dbraw/zinc/54/76/17/804547617.db2.gz GFSVIEKMENRWCO-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO C[N@H+](CC1CCCC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246840710 804549865 /nfs/dbraw/zinc/54/98/65/804549865.db2.gz JKFHBBFUZAKUJX-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO C[N@@H+](CC1CCCC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246840710 804549867 /nfs/dbraw/zinc/54/98/67/804549867.db2.gz JKFHBBFUZAKUJX-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246843272 804552625 /nfs/dbraw/zinc/55/26/25/804552625.db2.gz FFKWILZNOASKMI-UONOGXRCSA-N 1 3 278.827 3.011 20 0 CGADHO CC[C@@H]1C[C@H](N2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246849983 804559277 /nfs/dbraw/zinc/55/92/77/804559277.db2.gz SQEJVWCEHIZFQP-DJIMGWMZSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849983 804559285 /nfs/dbraw/zinc/55/92/85/804559285.db2.gz SQEJVWCEHIZFQP-DJIMGWMZSA-N 1 3 276.399 3.146 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCN1 ZINC001246849983 804559292 /nfs/dbraw/zinc/55/92/92/804559292.db2.gz SQEJVWCEHIZFQP-DJIMGWMZSA-N 1 3 276.399 3.146 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(Cc2ccc(F)cc2F)CC1 ZINC001246871994 804573007 /nfs/dbraw/zinc/57/30/07/804573007.db2.gz SWILWRVPFRDQOI-CYBMUJFWSA-N 1 3 296.405 3.217 20 0 CGADHO CCCCC[C@H](CC)[N@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929778 804605992 /nfs/dbraw/zinc/60/59/92/804605992.db2.gz QIVCYXZUFLIHJN-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCC[C@H](CC)[N@@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929778 804605996 /nfs/dbraw/zinc/60/59/96/804605996.db2.gz QIVCYXZUFLIHJN-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO Nc1ccc(C2CC[NH+]([C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246933786 804607080 /nfs/dbraw/zinc/60/70/80/804607080.db2.gz TWSMCNMMFCBADV-SFHVURJKSA-N 1 3 299.462 3.123 20 0 CGADHO COCC[N@H+](C1CCC(C(C)(C)C)CC1)[C@H]1CCCNC1 ZINC001246931161 804607554 /nfs/dbraw/zinc/60/75/54/804607554.db2.gz WWDJGLBSHUHBJR-JCYILVPMSA-N 1 3 296.499 3.292 20 0 CGADHO COCC[N@@H+](C1CCC(C(C)(C)C)CC1)[C@H]1CCCNC1 ZINC001246931161 804607555 /nfs/dbraw/zinc/60/75/55/804607555.db2.gz WWDJGLBSHUHBJR-JCYILVPMSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](CC1CC1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937357 804608762 /nfs/dbraw/zinc/60/87/62/804608762.db2.gz LJOLNIHVSPUSIT-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](CC1CC1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937357 804608764 /nfs/dbraw/zinc/60/87/64/804608764.db2.gz LJOLNIHVSPUSIT-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO CCCCCC[C@H](CCC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947222 804613516 /nfs/dbraw/zinc/61/35/16/804613516.db2.gz JTEZDLQQKHOAPH-CAOSSQGBSA-N 1 3 252.446 3.275 20 0 CGADHO CCc1ccccc1CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001141228807 804616001 /nfs/dbraw/zinc/61/60/01/804616001.db2.gz IOVJBPGVARKIQV-UHFFFAOYSA-N 1 3 295.430 3.275 20 0 CGADHO Cc1ccc(C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973018 804622259 /nfs/dbraw/zinc/62/22/59/804622259.db2.gz LLQPQESKKPCFKA-FUHWJXTLSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@H](C)[N@H+](C[C@@H]2CCCNC2)C2CC2)cc1 ZINC001246973018 804622264 /nfs/dbraw/zinc/62/22/64/804622264.db2.gz LLQPQESKKPCFKA-FUHWJXTLSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CC2)cc1 ZINC001246973018 804622267 /nfs/dbraw/zinc/62/22/67/804622267.db2.gz LLQPQESKKPCFKA-FUHWJXTLSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc2c(CN3CC[C@]4(CC[N@@H+](C)C4)C3)cccc2n1 ZINC001248572958 804956378 /nfs/dbraw/zinc/95/63/78/804956378.db2.gz CFMYHCTVAISPSP-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccc2c(CN3CC[C@]4(CC[N@H+](C)C4)C3)cccc2n1 ZINC001248572958 804956382 /nfs/dbraw/zinc/95/63/82/804956382.db2.gz CFMYHCTVAISPSP-IBGZPJMESA-N 1 3 295.430 3.071 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258055981 807280606 /nfs/dbraw/zinc/28/06/06/807280606.db2.gz NUBLHSPYFWDNDY-ZWKOTPCHSA-N 1 3 297.531 3.063 20 0 CGADHO C[C@@H]1CC(N2Cc3ccccc3C[C@H]2C[NH3+])C[C@@H](C)C1 ZINC001258159782 807328320 /nfs/dbraw/zinc/32/83/20/807328320.db2.gz GQLDOCLWUUBRHZ-DEYYWGMASA-N 1 3 272.436 3.197 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168402075 807406477 /nfs/dbraw/zinc/40/64/77/807406477.db2.gz XYXGFFNHGMXEGC-GOSISDBHSA-N 1 3 292.442 3.395 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3C[C@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258705213 807560600 /nfs/dbraw/zinc/56/06/00/807560600.db2.gz VRGHLFSLHKLIFE-MWDXBVQZSA-N 1 3 278.484 3.475 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H](C)CC(C)(C)C3)C[C@@H]2C1 ZINC001258705213 807560604 /nfs/dbraw/zinc/56/06/04/807560604.db2.gz VRGHLFSLHKLIFE-MWDXBVQZSA-N 1 3 278.484 3.475 20 0 CGADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169101497 807578457 /nfs/dbraw/zinc/57/84/57/807578457.db2.gz SWFMMDWRTSOVMR-MUJYYYPQSA-N 1 3 258.409 3.018 20 0 CGADHO Cc1cccc(C(C)(C)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169116962 807580632 /nfs/dbraw/zinc/58/06/32/807580632.db2.gz UXGRFZGIHKCUNW-OSYLJGHBSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc(C(C)(C)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169116962 807580635 /nfs/dbraw/zinc/58/06/35/807580635.db2.gz UXGRFZGIHKCUNW-OSYLJGHBSA-N 1 3 272.436 3.445 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1cccc(Cl)c1 ZINC001258739378 807584678 /nfs/dbraw/zinc/58/46/78/807584678.db2.gz XUCBVRUMMDZFLP-ZDUSSCGKSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1cccc(Cl)c1 ZINC001258739378 807584683 /nfs/dbraw/zinc/58/46/83/807584683.db2.gz XUCBVRUMMDZFLP-ZDUSSCGKSA-N 1 3 268.832 3.330 20 0 CGADHO Cc1ccc(CCN(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169145569 807591958 /nfs/dbraw/zinc/59/19/58/807591958.db2.gz NAFRSGWXYLHKPO-PIIMJCKOSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1ccc(CCN(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169145569 807591962 /nfs/dbraw/zinc/59/19/62/807591962.db2.gz NAFRSGWXYLHKPO-PIIMJCKOSA-N 1 3 272.436 3.095 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cn(C2CCC2)cn1 ZINC001258903960 807671481 /nfs/dbraw/zinc/67/14/81/807671481.db2.gz CARKQZNWMALKLN-HNNXBMFYSA-N 1 3 292.471 3.208 20 0 CGADHO Cc1ccc(-c2ccccc2)cc1N[C@H](N)CCC[NH3+] ZINC001170903806 807929972 /nfs/dbraw/zinc/92/99/72/807929972.db2.gz LJUYGIKGPCGGCV-KRWDZBQOSA-N 1 3 269.392 3.098 20 0 CGADHO CN(C)C1CC[NH+]([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171116230 807989117 /nfs/dbraw/zinc/98/91/17/807989117.db2.gz LOZYZXLQSUYIML-KRWDZBQOSA-N 1 3 292.854 3.223 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2CCOC(C)(C)C2)CC1(C)C ZINC001171623442 808106450 /nfs/dbraw/zinc/10/64/50/808106450.db2.gz ZCFOOGWAKVHTAC-ZDUSSCGKSA-N 1 3 282.472 3.185 20 0 CGADHO Cc1cc(C)cc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172103722 808174631 /nfs/dbraw/zinc/17/46/31/808174631.db2.gz WZGCVZBCYLPWDS-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cc(C)cc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172103722 808174635 /nfs/dbraw/zinc/17/46/35/808174635.db2.gz WZGCVZBCYLPWDS-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1ccncc1)C1CC1)C2 ZINC001172110786 808178552 /nfs/dbraw/zinc/17/85/52/808178552.db2.gz PECRUPUIWWTKII-FJIDUMEYSA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1ccncc1)C1CC1)C2 ZINC001172110786 808178554 /nfs/dbraw/zinc/17/85/54/808178554.db2.gz PECRUPUIWWTKII-FJIDUMEYSA-N 1 3 285.435 3.138 20 0 CGADHO COc1cccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172122737 808183569 /nfs/dbraw/zinc/18/35/69/808183569.db2.gz TZHNECLXDBTIBE-BJWYYQGGSA-N 1 3 288.435 3.142 20 0 CGADHO COc1cccc(CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172122737 808183571 /nfs/dbraw/zinc/18/35/71/808183571.db2.gz TZHNECLXDBTIBE-BJWYYQGGSA-N 1 3 288.435 3.142 20 0 CGADHO CC(C)COCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001172462260 808332202 /nfs/dbraw/zinc/33/22/02/808332202.db2.gz NYQPOKDVCWQZES-IAGOWNOFSA-N 1 3 284.488 3.292 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550292 808380203 /nfs/dbraw/zinc/38/02/03/808380203.db2.gz DMNIRRJDSAQQHF-KZNAEPCWSA-N 1 3 272.436 3.397 20 0 CGADHO CCCOC1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001173094183 808506625 /nfs/dbraw/zinc/50/66/25/808506625.db2.gz ITAAHCGXWQIPFX-YZUHTNEWSA-N 1 3 282.472 3.187 20 0 CGADHO CC[NH+](CC)C1CCC(Nc2cccc(F)c2CN)CC1 ZINC001173105800 808511030 /nfs/dbraw/zinc/51/10/30/808511030.db2.gz USAUOJZUNIADRL-UHFFFAOYSA-N 1 3 293.430 3.349 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc3occc3c1)C2 ZINC001275660356 808956360 /nfs/dbraw/zinc/95/63/60/808956360.db2.gz NPTIRZHRFRASLM-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3occc3c1)C2 ZINC001275660356 808956368 /nfs/dbraw/zinc/95/63/68/808956368.db2.gz NPTIRZHRFRASLM-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO Cc1ccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)cn1 ZINC001275853765 808971416 /nfs/dbraw/zinc/97/14/16/808971416.db2.gz UVWPLQVLSRMJRH-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4cnccc43)(C1)CCC2 ZINC001275959302 808978919 /nfs/dbraw/zinc/97/89/19/808978919.db2.gz BDKKTKSXTCRTLI-RBUKOAKNSA-N 1 3 295.430 3.389 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cn(C)c4ccccc34)(C1)CCC2 ZINC001275960617 808979084 /nfs/dbraw/zinc/97/90/84/808979084.db2.gz YCJKKCFCUJUEJQ-RBUKOAKNSA-N 1 3 297.446 3.333 20 0 CGADHO Cc1ccncc1CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276197194 808993442 /nfs/dbraw/zinc/99/34/42/808993442.db2.gz HLMMEZWUFUPSRQ-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1nccc3ccccc31)C2 ZINC001276611114 809021192 /nfs/dbraw/zinc/02/11/92/809021192.db2.gz YJCSBNZSYSEUJS-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1nccc3ccccc31)C2 ZINC001276611114 809021201 /nfs/dbraw/zinc/02/12/01/809021201.db2.gz YJCSBNZSYSEUJS-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO Cc1cccc(CCN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276739363 809027877 /nfs/dbraw/zinc/02/78/77/809027877.db2.gz ROMKGRLBNAHQQG-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276739363 809027884 /nfs/dbraw/zinc/02/78/84/809027884.db2.gz ROMKGRLBNAHQQG-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2[C@@H]2CCO[C@H](C)C2)CC1 ZINC001175352718 809373752 /nfs/dbraw/zinc/37/37/52/809373752.db2.gz RBAPJJRWLPWCTO-FGTMMUONSA-N 1 3 294.483 3.140 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@H+]2[C@@H]2CCO[C@H](C)C2)CC1 ZINC001175352718 809373761 /nfs/dbraw/zinc/37/37/61/809373761.db2.gz RBAPJJRWLPWCTO-FGTMMUONSA-N 1 3 294.483 3.140 20 0 CGADHO CC(C)c1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC001179817666 809948322 /nfs/dbraw/zinc/94/83/22/809948322.db2.gz RFGXLVVEAQEMNM-OKZBNKHCSA-N 1 3 272.436 3.240 20 0 CGADHO FC1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001201603109 811918387 /nfs/dbraw/zinc/91/83/87/811918387.db2.gz CDAPMCDPZJSUKP-UHFFFAOYSA-N 1 3 290.426 3.127 20 0 CGADHO Cc1ccc(C)c(CN2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001203752933 812454682 /nfs/dbraw/zinc/45/46/82/812454682.db2.gz SCDBXHQXYDIYKB-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001205033308 812834456 /nfs/dbraw/zinc/83/44/56/812834456.db2.gz AMPRJSIAXHXYDX-UHFFFAOYSA-N 1 3 290.304 3.015 20 0 CGADHO CCCc1ccc(CN2CCC[C@H]([NH3+])CC2)s1 ZINC001205101668 812865216 /nfs/dbraw/zinc/86/52/16/812865216.db2.gz IRRDKEJZZMZEAI-LBPRGKRZSA-N 1 3 252.427 3.014 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001205263498 812920336 /nfs/dbraw/zinc/92/03/36/812920336.db2.gz AAPZUKAVNPAOQN-CQSZACIVSA-N 1 3 286.341 3.409 20 0 CGADHO CCOc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1CC ZINC001205273063 812924474 /nfs/dbraw/zinc/92/44/74/812924474.db2.gz DEDMIVBXEYORLN-SFHVURJKSA-N 1 3 290.451 3.351 20 0 CGADHO Cc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)nc1C ZINC001205654485 813044460 /nfs/dbraw/zinc/04/44/60/813044460.db2.gz WZZLPFSGEYTQGN-RISCZKNCSA-N 1 3 295.858 3.159 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829966 813100688 /nfs/dbraw/zinc/10/06/88/813100688.db2.gz QDTXNFPZYLFIFA-RISCZKNCSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829966 813100691 /nfs/dbraw/zinc/10/06/91/813100691.db2.gz QDTXNFPZYLFIFA-RISCZKNCSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cc(O)cc2ccccc21 ZINC001205913509 813129426 /nfs/dbraw/zinc/12/94/26/813129426.db2.gz IWXLSZCXHABANW-UKRRQHHQSA-N 1 3 284.403 3.105 20 0 CGADHO C[C@H]1CN(Cc2ccc(C(F)(F)F)o2)CCC[C@@H]1C[NH3+] ZINC001206015047 813166530 /nfs/dbraw/zinc/16/65/30/813166530.db2.gz ZSBPMHFEKMVYHG-WDEREUQCSA-N 1 3 290.329 3.105 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2csc3ccccc23)CC[C@@H]1F ZINC001206174080 813226821 /nfs/dbraw/zinc/22/68/21/813226821.db2.gz LVGAPIJHEBHISO-UONOGXRCSA-N 1 3 278.396 3.163 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200977 813237052 /nfs/dbraw/zinc/23/70/52/813237052.db2.gz UWDDJFQSBQQPSL-IAGOWNOFSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200977 813237056 /nfs/dbraw/zinc/23/70/56/813237056.db2.gz UWDDJFQSBQQPSL-IAGOWNOFSA-N 1 3 299.393 3.010 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1CCNC[C@H](C)C1 ZINC001206278087 813268553 /nfs/dbraw/zinc/26/85/53/813268553.db2.gz YHHSACLLBAJNBL-LBPRGKRZSA-N 1 3 274.433 3.251 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1CCNC[C@H](C)C1 ZINC001206278087 813268557 /nfs/dbraw/zinc/26/85/57/813268557.db2.gz YHHSACLLBAJNBL-LBPRGKRZSA-N 1 3 274.433 3.251 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC001206305246 813282004 /nfs/dbraw/zinc/28/20/04/813282004.db2.gz XBVCXKFENYCLFH-SFHVURJKSA-N 1 3 299.418 3.293 20 0 CGADHO Cc1ccc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)s1 ZINC001206583415 813364489 /nfs/dbraw/zinc/36/44/89/813364489.db2.gz UMBZDPHJCWTOPK-AWEZNQCLSA-N 1 3 266.454 3.409 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1)N(C)C ZINC001206827234 813447031 /nfs/dbraw/zinc/44/70/31/813447031.db2.gz KPOCIKXJDVRDAY-NJAFHUGGSA-N 1 3 274.452 3.427 20 0 CGADHO CN(C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001207178595 813507247 /nfs/dbraw/zinc/50/72/47/813507247.db2.gz WXQFQVNXADLTBQ-YOEHRIQHSA-N 1 3 292.854 3.470 20 0 CGADHO CN(C)CC(C)(C)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001207274223 813528138 /nfs/dbraw/zinc/52/81/38/813528138.db2.gz AIGILCMWKXPFCX-UHFFFAOYSA-N 1 3 290.451 3.118 20 0 CGADHO CC1=CC[C@H](CC[NH+]2CCC3(CN(C)C3)CC2)C1(C)C ZINC001207275890 813530065 /nfs/dbraw/zinc/53/00/65/813530065.db2.gz LUVJPAWNSGERMC-MRXNPFEDSA-N 1 3 276.468 3.397 20 0 CGADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1CC1CC[NH2+]CC1 ZINC001207439637 813566029 /nfs/dbraw/zinc/56/60/29/813566029.db2.gz WQBGHEQJWXFYFD-IAGOWNOFSA-N 1 3 282.472 3.249 20 0 CGADHO CC/C=C\CCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001208139166 813704182 /nfs/dbraw/zinc/70/41/82/813704182.db2.gz VKFMUKQJYAZNKE-PLNGDYQASA-N 1 3 294.483 3.308 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608349 813774198 /nfs/dbraw/zinc/77/41/98/813774198.db2.gz HKOFYLSUDVOWGQ-HUUCEWRRSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001208608349 813774202 /nfs/dbraw/zinc/77/42/02/813774202.db2.gz HKOFYLSUDVOWGQ-HUUCEWRRSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CC=C(c3ccccc3)CC2)C1 ZINC001208617543 813776734 /nfs/dbraw/zinc/77/67/34/813776734.db2.gz PWIQCAMWTWCPFJ-INIZCTEOSA-N 1 3 270.420 3.118 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CC=C(c3ccccc3)CC2)C1 ZINC001208617543 813776741 /nfs/dbraw/zinc/77/67/41/813776741.db2.gz PWIQCAMWTWCPFJ-INIZCTEOSA-N 1 3 270.420 3.118 20 0 CGADHO CCCN1C[C@H]2C[NH+](CC3(C)CCCCC3)C[C@@H]2C1 ZINC001208901461 813892844 /nfs/dbraw/zinc/89/28/44/813892844.db2.gz AAIFZJYOWDLUSQ-HOTGVXAUSA-N 1 3 264.457 3.230 20 0 CGADHO C[NH2+][C@H]1C[C@H](Oc2ccc3ccccc3c2CN(C)C)C1 ZINC001217954660 816015680 /nfs/dbraw/zinc/01/56/80/816015680.db2.gz QVBNSABBAMYGKK-SHTZXODSSA-N 1 3 284.403 3.031 20 0 CGADHO CC1(C[N@@H+]2CCC[C@@]23CCCNC3)CCCCC1 ZINC001222231401 816380253 /nfs/dbraw/zinc/38/02/53/816380253.db2.gz LTVYWMGBGATCAP-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO CC1(C[N@H+]2CCC[C@@]23CCCNC3)CCCCC1 ZINC001222231401 816380263 /nfs/dbraw/zinc/38/02/63/816380263.db2.gz LTVYWMGBGATCAP-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO CC1(CN2CCC[C@@]23CCC[NH2+]C3)CCCCC1 ZINC001222231401 816380271 /nfs/dbraw/zinc/38/02/71/816380271.db2.gz LTVYWMGBGATCAP-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO C(CC1CCCC1)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222231099 816380513 /nfs/dbraw/zinc/38/05/13/816380513.db2.gz JBLJOGHPAWTRNN-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO C(CC1CCCC1)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222231099 816380522 /nfs/dbraw/zinc/38/05/22/816380522.db2.gz JBLJOGHPAWTRNN-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO Cc1csc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222601933 816476563 /nfs/dbraw/zinc/47/65/63/816476563.db2.gz DLTQKFLQTHJDEE-KRWDZBQOSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1csc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222601933 816476566 /nfs/dbraw/zinc/47/65/66/816476566.db2.gz DLTQKFLQTHJDEE-KRWDZBQOSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1sccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222616018 816479314 /nfs/dbraw/zinc/47/93/14/816479314.db2.gz VPPCGRKJZHVZEF-KRWDZBQOSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1sccc1C[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222616018 816479319 /nfs/dbraw/zinc/47/93/19/816479319.db2.gz VPPCGRKJZHVZEF-KRWDZBQOSA-N 1 3 298.455 3.246 20 0 CGADHO c1cc(C2CCC2)ccc1CN1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620423 816480405 /nfs/dbraw/zinc/48/04/05/816480405.db2.gz ROMCAINNBQOFFR-ZWKOTPCHSA-N 1 3 270.420 3.138 20 0 CGADHO Cc1ccc(F)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC001222623872 816482624 /nfs/dbraw/zinc/48/26/24/816482624.db2.gz ONTFDQFNAUUYHK-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO FC(F)(F)c1ccc(C2=CC[NH2+]C2)c(CN2CCCC2)c1 ZINC001243115498 823251635 /nfs/dbraw/zinc/25/16/35/823251635.db2.gz MULISIDJNPUBAN-UHFFFAOYSA-N 1 3 296.336 3.288 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878314 818197914 /nfs/dbraw/zinc/19/79/14/818197914.db2.gz IAQISKMDBPDGDW-CALCHBBNSA-N 1 3 272.436 3.194 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3ccccc3C(C)C)C[C@@H]2C1 ZINC001231878314 818197917 /nfs/dbraw/zinc/19/79/17/818197917.db2.gz IAQISKMDBPDGDW-CALCHBBNSA-N 1 3 272.436 3.194 20 0 CGADHO Cc1cc(F)ncc1CN(C)CC1CC[NH+](C(C)C)CC1 ZINC001231984494 818224225 /nfs/dbraw/zinc/22/42/25/818224225.db2.gz GEOLBPVKGJVSRT-UHFFFAOYSA-N 1 3 293.430 3.081 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c[nH]ccc-3n2)C[C@@H]1C ZINC001232010770 818233787 /nfs/dbraw/zinc/23/37/87/818233787.db2.gz AAPNSZHVIYHOGU-OLZOCXBDSA-N 1 3 257.381 3.431 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c[nH]ccc-3n2)C[C@@H]1C ZINC001232010770 818233791 /nfs/dbraw/zinc/23/37/91/818233791.db2.gz AAPNSZHVIYHOGU-OLZOCXBDSA-N 1 3 257.381 3.431 20 0 CGADHO CN(C)Cc1cc(F)cc(C[NH+]2C3CCC2CC3)c1 ZINC001232146652 818263198 /nfs/dbraw/zinc/26/31/98/818263198.db2.gz XELHIDNSWQNPLI-UHFFFAOYSA-N 1 3 262.372 3.014 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2C3CCC2CC3)c1 ZINC001232146652 818263202 /nfs/dbraw/zinc/26/32/02/818263202.db2.gz XELHIDNSWQNPLI-UHFFFAOYSA-N 1 3 262.372 3.014 20 0 CGADHO Cc1ccc(Cl)cc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001233250603 818554874 /nfs/dbraw/zinc/55/48/74/818554874.db2.gz RICRVGSHULSPME-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1ccc(Cl)cc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001233250603 818554880 /nfs/dbraw/zinc/55/48/80/818554880.db2.gz RICRVGSHULSPME-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1CC2CC1(CN)C2 ZINC001235009106 818978285 /nfs/dbraw/zinc/97/82/85/818978285.db2.gz XJVKZSJYNSZKEQ-UHFFFAOYSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1CC2CC1(CN)C2 ZINC001235009106 818978291 /nfs/dbraw/zinc/97/82/91/818978291.db2.gz XJVKZSJYNSZKEQ-UHFFFAOYSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001235031339 818983839 /nfs/dbraw/zinc/98/38/39/818983839.db2.gz FPFIIJXNSKDQSE-IBGZPJMESA-N 1 3 286.463 3.414 20 0 CGADHO COc1ccsc1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235229613 819042151 /nfs/dbraw/zinc/04/21/51/819042151.db2.gz RIFSVZWEHFXVHV-CQSZACIVSA-N 1 3 294.464 3.111 20 0 CGADHO [NH3+][C@H]1[C@H]2CN(Cc3ccccc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC001235283686 819060635 /nfs/dbraw/zinc/06/06/35/819060635.db2.gz GIEOPBVROXFBFY-BCDXTJNWSA-N 1 3 298.817 3.396 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@H+](CCC2CC2)CC3)cc1 ZINC001235365278 819079437 /nfs/dbraw/zinc/07/94/37/819079437.db2.gz NLFXUVDTFJZOLW-RTBURBONSA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CCC2CC2)CC3)cc1 ZINC001235365278 819079440 /nfs/dbraw/zinc/07/94/40/819079440.db2.gz NLFXUVDTFJZOLW-RTBURBONSA-N 1 3 284.447 3.040 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363588 819080057 /nfs/dbraw/zinc/08/00/57/819080057.db2.gz SEZQWETUKDPHCI-PKOBYXMFSA-N 1 3 286.463 3.286 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363588 819080064 /nfs/dbraw/zinc/08/00/64/819080064.db2.gz SEZQWETUKDPHCI-PKOBYXMFSA-N 1 3 286.463 3.286 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235399277 819084994 /nfs/dbraw/zinc/08/49/94/819084994.db2.gz AELFDZKKIBFWDY-XHSDSOJGSA-N 1 3 270.436 3.226 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235399277 819084996 /nfs/dbraw/zinc/08/49/96/819084996.db2.gz AELFDZKKIBFWDY-XHSDSOJGSA-N 1 3 270.436 3.226 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)cc1C ZINC001235407473 819088575 /nfs/dbraw/zinc/08/85/75/819088575.db2.gz SBJFMIIDGDMFMU-ROUUACIJSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)cc1C ZINC001235407473 819088581 /nfs/dbraw/zinc/08/85/81/819088581.db2.gz SBJFMIIDGDMFMU-ROUUACIJSA-N 1 3 290.426 3.135 20 0 CGADHO CCN(Cc1cccc2c1CCCC2)C1CC[NH2+]CC1 ZINC001235762494 819162947 /nfs/dbraw/zinc/16/29/47/819162947.db2.gz VDHIKIXPXCWTPS-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CC[N@H+](Cc1cccc2c1CCCC2)C1CCNCC1 ZINC001235762494 819162950 /nfs/dbraw/zinc/16/29/50/819162950.db2.gz VDHIKIXPXCWTPS-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CC[N@@H+](Cc1cccc2c1CCCC2)C1CCNCC1 ZINC001235762494 819162953 /nfs/dbraw/zinc/16/29/53/819162953.db2.gz VDHIKIXPXCWTPS-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@@H+]1Cc1ccc2cccccc1-2 ZINC001235890380 819199020 /nfs/dbraw/zinc/19/90/20/819199020.db2.gz DXPYGZTYTJPBHW-BBRMVZONSA-N 1 3 254.377 3.103 20 0 CGADHO C[C@H]1CC[C@H](N)C[N@H+]1Cc1ccc2cccccc1-2 ZINC001235890380 819199022 /nfs/dbraw/zinc/19/90/22/819199022.db2.gz DXPYGZTYTJPBHW-BBRMVZONSA-N 1 3 254.377 3.103 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235930295 819227537 /nfs/dbraw/zinc/22/75/37/819227537.db2.gz VSZGTUAKABOKDF-JKSUJKDBSA-N 1 3 272.436 3.025 20 0 CGADHO c1ccc(-c2ccc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001235929837 819228417 /nfs/dbraw/zinc/22/84/17/819228417.db2.gz UXEVPOYDDQMWLK-VQTJNVASSA-N 1 3 292.426 3.395 20 0 CGADHO Fc1ccc([C@@H]2CC[N@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235949425 819239117 /nfs/dbraw/zinc/23/91/17/819239117.db2.gz JXXVIOHMYBFINW-QGZVFWFLSA-N 1 3 296.389 3.418 20 0 CGADHO Fc1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235949425 819239123 /nfs/dbraw/zinc/23/91/23/819239123.db2.gz JXXVIOHMYBFINW-QGZVFWFLSA-N 1 3 296.389 3.418 20 0 CGADHO CN(Cc1ccc2cccccc1-2)C[C@H]1CCC[NH2+]C1 ZINC001235956318 819244191 /nfs/dbraw/zinc/24/41/91/819244191.db2.gz CGHGIDBECZLRSC-HNNXBMFYSA-N 1 3 268.404 3.223 20 0 CGADHO N[C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981909 819258899 /nfs/dbraw/zinc/25/88/99/819258899.db2.gz SOVYZAMXIPDGGT-RBUKOAKNSA-N 1 3 278.399 3.277 20 0 CGADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC001235981909 819258904 /nfs/dbraw/zinc/25/89/04/819258904.db2.gz SOVYZAMXIPDGGT-RBUKOAKNSA-N 1 3 278.399 3.277 20 0 CGADHO C[C@H](c1cccc2ccccc21)N(C)C[C@@H]1CC[NH2+]C1 ZINC001236190718 819362509 /nfs/dbraw/zinc/36/25/09/819362509.db2.gz WRDYWLRNGPVSMT-HUUCEWRRSA-N 1 3 268.404 3.442 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2N)c(C)c1 ZINC001236216864 819381872 /nfs/dbraw/zinc/38/18/72/819381872.db2.gz LMCLKAYXMGXOJL-IAGOWNOFSA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)c(C)c1 ZINC001236216864 819381875 /nfs/dbraw/zinc/38/18/75/819381875.db2.gz LMCLKAYXMGXOJL-IAGOWNOFSA-N 1 3 276.424 3.014 20 0 CGADHO c1ccc(C2(CN3CCC[NH2+]CCC3)CCCC2)cc1 ZINC001236239602 819399655 /nfs/dbraw/zinc/39/96/55/819399655.db2.gz IFRGRKHVXIFNHB-UHFFFAOYSA-N 1 3 272.436 3.184 20 0 CGADHO NCc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccn1 ZINC001236250485 819404815 /nfs/dbraw/zinc/40/48/15/819404815.db2.gz HCNQXCOWCOSPIE-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372676 819441824 /nfs/dbraw/zinc/44/18/24/819441824.db2.gz SHUAMVFGVRUYEW-MLHJIOFPSA-N 1 3 288.479 3.443 20 0 CGADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236372676 819441826 /nfs/dbraw/zinc/44/18/26/819441826.db2.gz SHUAMVFGVRUYEW-MLHJIOFPSA-N 1 3 288.479 3.443 20 0 CGADHO CCOCC[N@H+](CCC1CCCCC1)C1CCNCC1 ZINC001236461469 819485893 /nfs/dbraw/zinc/48/58/93/819485893.db2.gz XJPVOPCESPFWAJ-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CCOCC[N@@H+](CCC1CCCCC1)C1CCNCC1 ZINC001236461469 819485896 /nfs/dbraw/zinc/48/58/96/819485896.db2.gz XJPVOPCESPFWAJ-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CCOCCN(CCC1CCCCC1)C1CC[NH2+]CC1 ZINC001236461469 819485900 /nfs/dbraw/zinc/48/59/00/819485900.db2.gz XJPVOPCESPFWAJ-UHFFFAOYSA-N 1 3 282.472 3.047 20 0 CGADHO CC(C)(C)C[N@H+](CCOc1ccccc1)C1CCNCC1 ZINC001236457973 819486508 /nfs/dbraw/zinc/48/65/08/819486508.db2.gz OWSGXURYZZIGLB-UHFFFAOYSA-N 1 3 290.451 3.166 20 0 CGADHO CC(C)(C)C[N@@H+](CCOc1ccccc1)C1CCNCC1 ZINC001236457973 819486513 /nfs/dbraw/zinc/48/65/13/819486513.db2.gz OWSGXURYZZIGLB-UHFFFAOYSA-N 1 3 290.451 3.166 20 0 CGADHO CC(C)(C)CN(CCOc1ccccc1)C1CC[NH2+]CC1 ZINC001236457973 819486516 /nfs/dbraw/zinc/48/65/16/819486516.db2.gz OWSGXURYZZIGLB-UHFFFAOYSA-N 1 3 290.451 3.166 20 0 CGADHO CCc1ccc(C[N@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236633683 819557629 /nfs/dbraw/zinc/55/76/29/819557629.db2.gz JWGWLPHBNSFMBI-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)cc1 ZINC001236633683 819557633 /nfs/dbraw/zinc/55/76/33/819557633.db2.gz JWGWLPHBNSFMBI-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCc1ccc(CN(C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236633683 819557638 /nfs/dbraw/zinc/55/76/38/819557638.db2.gz JWGWLPHBNSFMBI-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@H]2C1 ZINC001236680744 819569433 /nfs/dbraw/zinc/56/94/33/819569433.db2.gz BYCMMMBAADAIDB-HUUCEWRRSA-N 1 3 286.444 3.285 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(F)c4ccccc34)C[C@H]12 ZINC001236819841 819606401 /nfs/dbraw/zinc/60/64/01/819606401.db2.gz OLHWCTUEQIDSRR-QANKJYHBSA-N 1 3 284.378 3.148 20 0 CGADHO CCCCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC001236820303 819608161 /nfs/dbraw/zinc/60/81/61/819608161.db2.gz PVVAVMPBAQZIFV-SZMVWBNQSA-N 1 3 288.435 3.035 20 0 CGADHO CCCN(Cc1c(C)cc(OC)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836525 819617050 /nfs/dbraw/zinc/61/70/50/819617050.db2.gz WTHGWRPTCSUMJO-MRXNPFEDSA-N 1 3 290.451 3.134 20 0 CGADHO CC[C@H](N)C[N@H+](C)CCCc1ccc(Br)cc1 ZINC001236859856 819625040 /nfs/dbraw/zinc/62/50/40/819625040.db2.gz NYJGJPWVSGUMJN-AWEZNQCLSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@H](N)C[N@@H+](C)CCCc1ccc(Br)cc1 ZINC001236859856 819625042 /nfs/dbraw/zinc/62/50/42/819625042.db2.gz NYJGJPWVSGUMJN-AWEZNQCLSA-N 1 3 299.256 3.051 20 0 CGADHO [S-]c1ccoc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961566 819639663 /nfs/dbraw/zinc/63/96/63/819639663.db2.gz CNFBKQDPNXVCPP-UHFFFAOYSA-N 1 3 294.464 3.170 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2csc3ccccc23)C1 ZINC001237056886 819655307 /nfs/dbraw/zinc/65/53/07/819655307.db2.gz KYHNTKXAQYZGQY-INIZCTEOSA-N 1 3 274.433 3.462 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cccc3sccc32)C1 ZINC001237080219 819662130 /nfs/dbraw/zinc/66/21/30/819662130.db2.gz FPUIFPAGYZIYGC-MRXNPFEDSA-N 1 3 274.433 3.462 20 0 CGADHO Fc1ccc(C[C@H]2CCCN2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001237246769 819710383 /nfs/dbraw/zinc/71/03/83/819710383.db2.gz CXVSCJATXWHEPU-ZWKOTPCHSA-N 1 3 290.426 3.365 20 0 CGADHO Cc1ccnc2cccc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c12 ZINC001237629545 819792693 /nfs/dbraw/zinc/79/26/93/819792693.db2.gz HTSXQVHPKAAYMT-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccnc2cccc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c12 ZINC001237629545 819792697 /nfs/dbraw/zinc/79/26/97/819792697.db2.gz HTSXQVHPKAAYMT-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2=CCN(C)CC2)nc1 ZINC001241313035 821724013 /nfs/dbraw/zinc/72/40/13/821724013.db2.gz UBFNLFYDXRJDNF-OAHLLOKOSA-N 1 3 285.435 3.175 20 0 CGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(C2=CCN(C)CC2)nc1 ZINC001241313035 821724015 /nfs/dbraw/zinc/72/40/15/821724015.db2.gz UBFNLFYDXRJDNF-OAHLLOKOSA-N 1 3 285.435 3.175 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC001339276578 936363907 /nfs/dbraw/zinc/36/39/07/936363907.db2.gz PJOJGNZVHOSKSY-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC001339276578 936363912 /nfs/dbraw/zinc/36/39/12/936363912.db2.gz PJOJGNZVHOSKSY-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC001339276578 936363916 /nfs/dbraw/zinc/36/39/16/936363916.db2.gz PJOJGNZVHOSKSY-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001340495982 936406104 /nfs/dbraw/zinc/40/61/04/936406104.db2.gz UCPBBOKYIKQARK-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC001340517710 936407291 /nfs/dbraw/zinc/40/72/91/936407291.db2.gz VLGWJDSNMNXONC-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NC2(Cc3ccc(F)cc3)CC2)C1 ZINC000902386800 928762367 /nfs/dbraw/zinc/76/23/67/928762367.db2.gz HOJOMYBBZSKVFL-MRXNPFEDSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C(C)(C)C ZINC001307874929 933013879 /nfs/dbraw/zinc/01/38/79/933013879.db2.gz DTFGRCQJYCPVDQ-OAHLLOKOSA-N 1 3 275.440 3.276 20 0 CGADHO C[C@H](C[N@H+]1CCCN(c2ccncc2)CC1)C(C)(C)C ZINC001307874929 933013884 /nfs/dbraw/zinc/01/38/84/933013884.db2.gz DTFGRCQJYCPVDQ-OAHLLOKOSA-N 1 3 275.440 3.276 20 0 CGADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCOC1 ZINC001308238497 933078496 /nfs/dbraw/zinc/07/84/96/933078496.db2.gz WWGGHZAQDKNEEQ-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308554333 933132017 /nfs/dbraw/zinc/13/20/17/933132017.db2.gz OGWOHJQVQZEZOB-OQIJWPOYSA-N 1 3 286.463 3.185 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@H]2C(C)C)CC1 ZINC001308765318 933172965 /nfs/dbraw/zinc/17/29/65/933172965.db2.gz GZBAXWABLBKNHZ-RDJZCZTQSA-N 1 3 266.473 3.379 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC001308882544 933195872 /nfs/dbraw/zinc/19/58/72/933195872.db2.gz JAFWYXCAZMZUCD-UONOGXRCSA-N 1 3 280.481 3.269 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCC34CCCCC4)[C@H]2C1 ZINC001308985035 933223024 /nfs/dbraw/zinc/22/30/24/933223024.db2.gz VYGZNAREOZFYRV-QAETUUGQSA-N 1 3 276.468 3.419 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC001322474269 934303980 /nfs/dbraw/zinc/30/39/80/934303980.db2.gz CJWQXROJHRHKSE-MAUKXSAKSA-N 1 3 287.451 3.244 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC001322474269 934303991 /nfs/dbraw/zinc/30/39/91/934303991.db2.gz CJWQXROJHRHKSE-MAUKXSAKSA-N 1 3 287.451 3.244 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC001324035258 934452342 /nfs/dbraw/zinc/45/23/42/934452342.db2.gz FHKLZKONCUKFOV-RDTXWAMCSA-N 1 3 288.435 3.091 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC001326907256 935015866 /nfs/dbraw/zinc/01/58/66/935015866.db2.gz PQWHUWZVDHGIJJ-UHFFFAOYSA-N 1 3 288.439 3.196 20 0 CGADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC001329068957 935183113 /nfs/dbraw/zinc/18/31/13/935183113.db2.gz WIHOJYANUXIIKX-AEFFLSMTSA-N 1 3 274.452 3.248 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c2ccccc21 ZINC001330705965 935314994 /nfs/dbraw/zinc/31/49/94/935314994.db2.gz YJBTYQXFKCFOSW-CEVLRCNZSA-N 1 3 278.346 3.155 20 0 CGADHO CN(C)CC1(C[NH2+]C/C=C\c2ccccc2)CCCC1 ZINC001474106783 937840671 /nfs/dbraw/zinc/84/06/71/937840671.db2.gz ONCNWFKVLXFBSR-FLIBITNWSA-N 1 3 272.436 3.411 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)ccc1Cl ZINC001474301435 937849264 /nfs/dbraw/zinc/84/92/64/937849264.db2.gz KHFVTNDDNXCNAX-OFQRWUPVSA-N 1 3 278.827 3.078 20 0 CGADHO Cc1cc(C)cc(CC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC001474320524 937850976 /nfs/dbraw/zinc/85/09/76/937850976.db2.gz IKYOXVIFSJHPMW-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC001474320524 937850977 /nfs/dbraw/zinc/85/09/77/937850977.db2.gz IKYOXVIFSJHPMW-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC001474320524 937850979 /nfs/dbraw/zinc/85/09/79/937850979.db2.gz IKYOXVIFSJHPMW-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1cc(C)cc(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC001474320524 937850980 /nfs/dbraw/zinc/85/09/80/937850980.db2.gz IKYOXVIFSJHPMW-MOPGFXCFSA-N 1 3 286.463 3.262 20 0 CGADHO CN1CC[C@@H]2C[N@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129721 938163222 /nfs/dbraw/zinc/16/32/22/938163222.db2.gz VLUMOIDXUWKFQE-YRXWBPOGSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129721 938163223 /nfs/dbraw/zinc/16/32/23/938163223.db2.gz VLUMOIDXUWKFQE-YRXWBPOGSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129721 938163224 /nfs/dbraw/zinc/16/32/24/938163224.db2.gz VLUMOIDXUWKFQE-YRXWBPOGSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C[C@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC001550129721 938163225 /nfs/dbraw/zinc/16/32/25/938163225.db2.gz VLUMOIDXUWKFQE-YRXWBPOGSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542418 938167828 /nfs/dbraw/zinc/16/78/28/938167828.db2.gz QVECOKHFLKBDCI-HUUCEWRRSA-N 1 3 280.362 3.008 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542418 938167829 /nfs/dbraw/zinc/16/78/29/938167829.db2.gz QVECOKHFLKBDCI-HUUCEWRRSA-N 1 3 280.362 3.008 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+][C@H]1CC[C@H](C(F)(F)F)C1 ZINC001553028100 938196048 /nfs/dbraw/zinc/19/60/48/938196048.db2.gz UMKYCZNVEXAMAL-NWBUJAPZSA-N 1 3 290.373 3.084 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3ccccc3F)C1)[NH2+]2 ZINC001553025955 938196112 /nfs/dbraw/zinc/19/61/12/938196112.db2.gz PHMWHOROAXYCKK-CEGNFMKMSA-N 1 3 288.410 3.190 20 0 CGADHO CC(C)(C[NH+]1CCCC1)NCCc1c(F)cccc1Cl ZINC001559917769 938238654 /nfs/dbraw/zinc/23/86/54/938238654.db2.gz PBGBNJHCRUSMOL-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO Cc1cc(C)c(/C=C\CNC[C@@H]2CCC[N@H+]2C)cc1C ZINC001560549789 938262659 /nfs/dbraw/zinc/26/26/59/938262659.db2.gz RKTQCMRWLJRJPQ-YEODSOHDSA-N 1 3 272.436 3.309 20 0 CGADHO Cc1cc(C)c(/C=C\CNC[C@@H]2CCC[N@@H+]2C)cc1C ZINC001560549789 938262661 /nfs/dbraw/zinc/26/26/61/938262661.db2.gz RKTQCMRWLJRJPQ-YEODSOHDSA-N 1 3 272.436 3.309 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C4CCC4)cc3)[C@@H]2C1 ZINC001560623154 938266389 /nfs/dbraw/zinc/26/63/89/938266389.db2.gz QPJCOFPQUGDTNJ-IPMKNSEASA-N 1 3 284.447 3.384 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)CN1CCCC1 ZINC001560806487 938277364 /nfs/dbraw/zinc/27/73/64/938277364.db2.gz WEPDLEOBEQUNJH-OAHLLOKOSA-N 1 3 284.488 3.149 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814147 938277557 /nfs/dbraw/zinc/27/75/57/938277557.db2.gz QNZJIWLBXDIUHQ-DOMZBBRYSA-N 1 3 289.448 3.068 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2scnc2c1 ZINC001560814147 938277558 /nfs/dbraw/zinc/27/75/58/938277558.db2.gz QNZJIWLBXDIUHQ-DOMZBBRYSA-N 1 3 289.448 3.068 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)[C@@H]2C1 ZINC001561052674 938292156 /nfs/dbraw/zinc/29/21/56/938292156.db2.gz IGRVBUNQWGBXKF-GVDBMIGSSA-N 1 3 264.457 3.277 20 0 CGADHO C1=CCC[C@@H](C[NH2+]Cc2nc3c(s2)CNCC3)CCC1 ZINC001574774184 962321752 /nfs/dbraw/zinc/32/17/52/962321752.db2.gz IVYWAZBHUDIYAN-CYBMUJFWSA-N 1 3 291.464 3.015 20 0 CGADHO CC(C)[C@H](C[NH3+])CNCc1ccc(C2CCC2)cc1 ZINC001575421736 962377783 /nfs/dbraw/zinc/37/77/83/962377783.db2.gz CIIHFHXIXHUWNT-QGZVFWFLSA-N 1 3 260.425 3.275 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001575421683 962380995 /nfs/dbraw/zinc/38/09/95/962380995.db2.gz BFSGHMRMYBLRJC-CABCVRRESA-N 1 3 280.843 3.360 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001575421683 962381011 /nfs/dbraw/zinc/38/10/11/962381011.db2.gz BFSGHMRMYBLRJC-CABCVRRESA-N 1 3 280.843 3.360 20 0 CGADHO C[C@@H](c1ccc(F)nc1)N1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001576302196 962446978 /nfs/dbraw/zinc/44/69/78/962446978.db2.gz SFMHVLDFBFIIHJ-ZFWWWQNUSA-N 1 3 291.414 3.123 20 0 CGADHO CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556840 962463188 /nfs/dbraw/zinc/46/31/88/962463188.db2.gz UFABNNOGJDHFMS-QZWWFDLISA-N 1 3 262.441 3.040 20 0 CGADHO CC1=CCC[C@@H](C)[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556840 962463194 /nfs/dbraw/zinc/46/31/94/962463194.db2.gz UFABNNOGJDHFMS-QZWWFDLISA-N 1 3 262.441 3.040 20 0 CGADHO C[C@@]1(CN[C@@H](C[NH3+])C2CCCCC2)CC1(Cl)Cl ZINC001576519880 962471089 /nfs/dbraw/zinc/47/10/89/962471089.db2.gz VMWJJEAWDZYXES-RYUDHWBXSA-N 1 3 279.255 3.068 20 0 CGADHO CCC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)c1ccccc1 ZINC001577358406 962522558 /nfs/dbraw/zinc/52/25/58/962522558.db2.gz YDXNHVGXHLIZMG-VVLHAWIVSA-N 1 3 258.409 3.053 20 0 CGADHO CCCC(CCC)[NH2+][C@@H]1[C@@H]2CCCN[C@H]2C1(C)C ZINC001577352585 962529120 /nfs/dbraw/zinc/52/91/20/962529120.db2.gz ATCPUDOUPBILSW-RBSFLKMASA-N 1 3 252.446 3.321 20 0 CGADHO COc1ccc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc12 ZINC001579216160 962614115 /nfs/dbraw/zinc/61/41/15/962614115.db2.gz FOPJQWGZNDAMOT-MSOLQXFVSA-N 1 3 296.414 3.208 20 0 CGADHO Cc1cccc(C)c1CN[C@@]1(C[NH3+])CCCC[C@H]1C ZINC001579754882 962670706 /nfs/dbraw/zinc/67/07/06/962670706.db2.gz LTEJFDJFCIRXIR-NVXWUHKLSA-N 1 3 260.425 3.301 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)s1 ZINC000621729102 349569873 /nfs/dbraw/zinc/56/98/73/349569873.db2.gz JBGLTJCRKPBXEC-INIZCTEOSA-N 1 3 278.465 3.228 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)s1 ZINC000621729102 349569875 /nfs/dbraw/zinc/56/98/75/349569875.db2.gz JBGLTJCRKPBXEC-INIZCTEOSA-N 1 3 278.465 3.228 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000651680700 398268288 /nfs/dbraw/zinc/26/82/88/398268288.db2.gz OHQUEWKWWUYTJS-XUWVNRHRSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000125388655 187182974 /nfs/dbraw/zinc/18/29/74/187182974.db2.gz JBRROXAMQNSWKK-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337995621 214350644 /nfs/dbraw/zinc/35/06/44/214350644.db2.gz IYRZHXVRTGVHOT-CABCVRRESA-N 1 3 258.425 3.225 20 0 CGADHO CC[N@H+](CCCN[C@H]1CCOC[C@@H]1C)C1CCCCC1 ZINC000651910532 398305641 /nfs/dbraw/zinc/30/56/41/398305641.db2.gz XPWDJOJXRBYMIW-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CCOC[C@@H]1C)C1CCCCC1 ZINC000651910532 398305642 /nfs/dbraw/zinc/30/56/42/398305642.db2.gz XPWDJOJXRBYMIW-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473177 529453078 /nfs/dbraw/zinc/45/30/78/529453078.db2.gz QOMGZYXLOOQDLT-UONOGXRCSA-N 1 3 252.789 3.118 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125947232 187206850 /nfs/dbraw/zinc/20/68/50/187206850.db2.gz REIOQOOMCZKCKL-JKSUJKDBSA-N 1 3 290.451 3.466 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000423458732 529568486 /nfs/dbraw/zinc/56/84/86/529568486.db2.gz HDALFFALVWNARO-OLZOCXBDSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc(OC)c(OC)c1 ZINC000423290122 529590439 /nfs/dbraw/zinc/59/04/39/529590439.db2.gz ZBCNRIZBTNIEFG-AWEZNQCLSA-N 1 3 294.439 3.262 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623414713 349802511 /nfs/dbraw/zinc/80/25/11/349802511.db2.gz NISGNSFOPRMUJC-KMFMINBZSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623414713 349802515 /nfs/dbraw/zinc/80/25/15/349802515.db2.gz NISGNSFOPRMUJC-KMFMINBZSA-N 1 3 272.436 3.382 20 0 CGADHO CCC(CC)[C@@H]1C[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423050617 282244842 /nfs/dbraw/zinc/24/48/42/282244842.db2.gz YYPVAQYIIZWGPX-XBVQOTNRSA-N 1 3 282.472 3.090 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCc2ccc(F)cc2Cl)CC1(C)C ZINC000623417875 349803921 /nfs/dbraw/zinc/80/39/21/349803921.db2.gz VMAQILPFBKFVFP-CQSZACIVSA-N 1 3 298.833 3.484 20 0 CGADHO C[N@H+]1CC[C@@H](NCCc2ccc(F)cc2Cl)CC1(C)C ZINC000623417875 349803923 /nfs/dbraw/zinc/80/39/23/349803923.db2.gz VMAQILPFBKFVFP-CQSZACIVSA-N 1 3 298.833 3.484 20 0 CGADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506336 349823520 /nfs/dbraw/zinc/82/35/20/349823520.db2.gz NZFAVPNZVORNGB-HOTGVXAUSA-N 1 3 294.483 3.331 20 0 CGADHO C[N@H+]1CC[C@H](NC[C@@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506336 349823523 /nfs/dbraw/zinc/82/35/23/349823523.db2.gz NZFAVPNZVORNGB-HOTGVXAUSA-N 1 3 294.483 3.331 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)nc1 ZINC000623649341 349855936 /nfs/dbraw/zinc/85/59/36/349855936.db2.gz RKKPYOVECBEJHO-OAHLLOKOSA-N 1 3 289.467 3.130 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000623649341 349855939 /nfs/dbraw/zinc/85/59/39/349855939.db2.gz RKKPYOVECBEJHO-OAHLLOKOSA-N 1 3 289.467 3.130 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000623655434 349856628 /nfs/dbraw/zinc/85/66/28/349856628.db2.gz XOXOKCNHKDPYDQ-INIZCTEOSA-N 1 3 283.419 3.056 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656029 349856799 /nfs/dbraw/zinc/85/67/99/349856799.db2.gz LGTVPRVLSZJCIU-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656029 349856800 /nfs/dbraw/zinc/85/68/00/349856800.db2.gz LGTVPRVLSZJCIU-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656029 349856802 /nfs/dbraw/zinc/85/68/02/349856802.db2.gz LGTVPRVLSZJCIU-XOQYZJNISA-N 1 3 272.436 3.411 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000623657249 349857687 /nfs/dbraw/zinc/85/76/87/349857687.db2.gz MCHIHDFHLRWBEI-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000623656940 349857800 /nfs/dbraw/zinc/85/78/00/349857800.db2.gz GCJKPGNOZYTPKX-NBUZRDOWSA-N 1 3 276.399 3.160 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000423279967 529986410 /nfs/dbraw/zinc/98/64/10/529986410.db2.gz TVLSVYHKJGIEFX-VQIMIIECSA-N 1 3 282.431 3.416 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050698 530064791 /nfs/dbraw/zinc/06/47/91/530064791.db2.gz VSXANGXAQGIHML-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050698 530064792 /nfs/dbraw/zinc/06/47/92/530064792.db2.gz VSXANGXAQGIHML-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050698 530064793 /nfs/dbraw/zinc/06/47/93/530064793.db2.gz VSXANGXAQGIHML-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4ccoc43)CC[C@@H]21 ZINC000449050698 530064794 /nfs/dbraw/zinc/06/47/94/530064794.db2.gz VSXANGXAQGIHML-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(C)cc2OC)CC1 ZINC000044517824 345012435 /nfs/dbraw/zinc/01/24/35/345012435.db2.gz LDMXUKNCBLMDMR-OAHLLOKOSA-N 1 3 290.451 3.386 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(CC[NH3+])CC1 ZINC000070183454 345388337 /nfs/dbraw/zinc/38/83/37/345388337.db2.gz URIZEYMGHKSCQV-LBPRGKRZSA-N 1 3 266.816 3.462 20 0 CGADHO COc1cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)ccc1F ZINC000152513418 232209281 /nfs/dbraw/zinc/20/92/81/232209281.db2.gz AMFIKLUANJPYQL-LBPRGKRZSA-N 1 3 282.403 3.073 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000081635266 345716035 /nfs/dbraw/zinc/71/60/35/345716035.db2.gz NSOMYOLFQNKKJG-IBGZPJMESA-N 1 3 286.463 3.283 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000081635266 345716038 /nfs/dbraw/zinc/71/60/38/345716038.db2.gz NSOMYOLFQNKKJG-IBGZPJMESA-N 1 3 286.463 3.283 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000081635266 345716040 /nfs/dbraw/zinc/71/60/40/345716040.db2.gz NSOMYOLFQNKKJG-IBGZPJMESA-N 1 3 286.463 3.283 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000081635266 345716044 /nfs/dbraw/zinc/71/60/44/345716044.db2.gz NSOMYOLFQNKKJG-IBGZPJMESA-N 1 3 286.463 3.283 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1CCC(C)CC1)c1cccnc1 ZINC000091266518 345809380 /nfs/dbraw/zinc/80/93/80/345809380.db2.gz DVEJZOOEXXXHRZ-SFHVURJKSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccnc1 ZINC000091288090 345809989 /nfs/dbraw/zinc/80/99/89/345809989.db2.gz KWDYLIAERFOBFL-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000168924206 232265416 /nfs/dbraw/zinc/26/54/16/232265416.db2.gz KOBWNALZDHYNLB-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccc(CCN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000168924206 232265418 /nfs/dbraw/zinc/26/54/18/232265418.db2.gz KOBWNALZDHYNLB-HZPDHXFCSA-N 1 3 278.827 3.099 20 0 CGADHO C[C@@H]1CCC[N@@H+](C/C=C/CN2CCC[C@H](C)C2)C1 ZINC000132267837 346071051 /nfs/dbraw/zinc/07/10/51/346071051.db2.gz HCMARDYPQODIDQ-ZOSBBBERSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCC[N@H+](C/C=C/CN2CCC[C@H](C)C2)C1 ZINC000132267837 346071055 /nfs/dbraw/zinc/07/10/55/346071055.db2.gz HCMARDYPQODIDQ-ZOSBBBERSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000132267837 346071058 /nfs/dbraw/zinc/07/10/58/346071058.db2.gz HCMARDYPQODIDQ-ZOSBBBERSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@H](C)C2)C1 ZINC000132267837 346071062 /nfs/dbraw/zinc/07/10/62/346071062.db2.gz HCMARDYPQODIDQ-ZOSBBBERSA-N 1 3 250.430 3.006 20 0 CGADHO CC1(C)CCN(C/C=C/C[N@@H+]2CCC(C)(C)C2)C1 ZINC000173818838 346236396 /nfs/dbraw/zinc/23/63/96/346236396.db2.gz WVTUVRXIELCZJR-AATRIKPKSA-N 1 3 250.430 3.006 20 0 CGADHO CC1(C)CCN(C/C=C/C[N@H+]2CCC(C)(C)C2)C1 ZINC000173818838 346236401 /nfs/dbraw/zinc/23/64/01/346236401.db2.gz WVTUVRXIELCZJR-AATRIKPKSA-N 1 3 250.430 3.006 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000336846528 213758161 /nfs/dbraw/zinc/75/81/61/213758161.db2.gz AQXAZDRZYKYWEM-YJBOKZPZSA-N 1 3 290.451 3.186 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000250497393 346385568 /nfs/dbraw/zinc/38/55/68/346385568.db2.gz JTKQENXSUNAKSV-MCIONIFRSA-N 1 3 292.389 3.427 20 0 CGADHO CCCc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000594784342 347216969 /nfs/dbraw/zinc/21/69/69/347216969.db2.gz FJCFSFGIGFRIKF-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCCc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000594784342 347216971 /nfs/dbraw/zinc/21/69/71/347216971.db2.gz FJCFSFGIGFRIKF-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000624120081 349977010 /nfs/dbraw/zinc/97/70/10/349977010.db2.gz QZESBLRZXJVOKI-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000624120081 349977012 /nfs/dbraw/zinc/97/70/12/349977012.db2.gz QZESBLRZXJVOKI-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000624120081 349977014 /nfs/dbraw/zinc/97/70/14/349977014.db2.gz QZESBLRZXJVOKI-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120655 349977333 /nfs/dbraw/zinc/97/73/33/349977333.db2.gz DMTSRJYUVCJJAN-RDJZCZTQSA-N 1 3 292.442 3.468 20 0 CGADHO CC[NH+](CC)CCOCCNCc1cc(C)cc(Cl)c1 ZINC000339345744 215109638 /nfs/dbraw/zinc/10/96/38/215109638.db2.gz JDOMXTZLUXBMDW-UHFFFAOYSA-N 1 3 298.858 3.096 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)COC2 ZINC000624121429 349978139 /nfs/dbraw/zinc/97/81/39/349978139.db2.gz WHIHHVGYWJONSB-CABCVRRESA-N 1 3 288.435 3.099 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(OC)c1 ZINC000624120767 349978578 /nfs/dbraw/zinc/97/85/78/349978578.db2.gz GTANMWCTAKSQNS-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376709 215131665 /nfs/dbraw/zinc/13/16/65/215131665.db2.gz JUXJSCGDKSZCSK-HZPDHXFCSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339376709 215131668 /nfs/dbraw/zinc/13/16/68/215131668.db2.gz JUXJSCGDKSZCSK-HZPDHXFCSA-N 1 3 290.426 3.489 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000624122924 349982018 /nfs/dbraw/zinc/98/20/18/349982018.db2.gz BGCVEGYDWBWUOF-RHSMWYFYSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122500 349982089 /nfs/dbraw/zinc/98/20/89/349982089.db2.gz SWMZNWSBTGILKR-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H](Cc1ccccc1F)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624122500 349982092 /nfs/dbraw/zinc/98/20/92/349982092.db2.gz SWMZNWSBTGILKR-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H](Cc1ccccc1F)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122500 349982093 /nfs/dbraw/zinc/98/20/93/349982093.db2.gz SWMZNWSBTGILKR-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO Cc1cc(NCC[N@H+]2CCCC[C@H]2C)c2ccccc2n1 ZINC000613491180 348610980 /nfs/dbraw/zinc/61/09/80/348610980.db2.gz HLGGGMKOECDYDE-OAHLLOKOSA-N 1 3 283.419 3.251 20 0 CGADHO Cc1cc(NCC[N@@H+]2CCCC[C@H]2C)c2ccccc2n1 ZINC000613491180 348610983 /nfs/dbraw/zinc/61/09/83/348610983.db2.gz HLGGGMKOECDYDE-OAHLLOKOSA-N 1 3 283.419 3.251 20 0 CGADHO C[C@H](F)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352014678 219290859 /nfs/dbraw/zinc/29/08/59/219290859.db2.gz NUQFSGUKRJGAAK-DOTOQJQBSA-N 1 3 278.415 3.188 20 0 CGADHO C[C@H](F)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352014678 219290861 /nfs/dbraw/zinc/29/08/61/219290861.db2.gz NUQFSGUKRJGAAK-DOTOQJQBSA-N 1 3 278.415 3.188 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000626061775 350254659 /nfs/dbraw/zinc/25/46/59/350254659.db2.gz UTGHULUIUSVAFI-SFHVURJKSA-N 1 3 290.451 3.139 20 0 CGADHO C[C@@H](CC[NH2+]C[C@@]1(C)CCCS1)N1CCCCC1 ZINC000628237223 350458402 /nfs/dbraw/zinc/45/84/02/350458402.db2.gz GDRCJUZRBKNRLD-LSDHHAIUSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@H](CC[NH2+]C[C@@]1(C)CCCS1)N1CCCCC1 ZINC000628237222 350458915 /nfs/dbraw/zinc/45/89/15/350458915.db2.gz GDRCJUZRBKNRLD-HUUCEWRRSA-N 1 3 270.486 3.126 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628210058 350441827 /nfs/dbraw/zinc/44/18/27/350441827.db2.gz FOODHFTZYXQUBJ-DLBZAZTESA-N 1 3 274.452 3.420 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2cc[nH]c2c1 ZINC000628279899 350475358 /nfs/dbraw/zinc/47/53/58/350475358.db2.gz GJXLZCBSTLRHKR-UHFFFAOYSA-N 1 3 273.424 3.332 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280853 350476454 /nfs/dbraw/zinc/47/64/54/350476454.db2.gz MIEQSVRIWDDHIA-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280853 350476455 /nfs/dbraw/zinc/47/64/55/350476455.db2.gz MIEQSVRIWDDHIA-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280853 350476456 /nfs/dbraw/zinc/47/64/56/350476456.db2.gz MIEQSVRIWDDHIA-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280853 350476458 /nfs/dbraw/zinc/47/64/58/350476458.db2.gz MIEQSVRIWDDHIA-AEFFLSMTSA-N 1 3 283.419 3.084 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1 ZINC000628425561 350537043 /nfs/dbraw/zinc/53/70/43/350537043.db2.gz ORAWUWXPKPGKOK-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000629531620 350703688 /nfs/dbraw/zinc/70/36/88/350703688.db2.gz RMNBUSNSKPFFOX-LUKYLMHMSA-N 1 3 282.472 3.077 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000629531350 350703703 /nfs/dbraw/zinc/70/37/03/350703703.db2.gz ICPRRSAIWHAERM-XLAORIBOSA-N 1 3 296.499 3.481 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629551947 350711855 /nfs/dbraw/zinc/71/18/55/350711855.db2.gz YHDOKEDDUMSCJI-NWDGAFQWSA-N 1 3 278.362 3.087 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551947 350711856 /nfs/dbraw/zinc/71/18/56/350711856.db2.gz YHDOKEDDUMSCJI-NWDGAFQWSA-N 1 3 278.362 3.087 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629551949 350712254 /nfs/dbraw/zinc/71/22/54/350712254.db2.gz YHDOKEDDUMSCJI-VXGBXAGGSA-N 1 3 278.362 3.087 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551949 350712257 /nfs/dbraw/zinc/71/22/57/350712257.db2.gz YHDOKEDDUMSCJI-VXGBXAGGSA-N 1 3 278.362 3.087 20 0 CGADHO CC1(C)[C@H](c2ccc(F)cc2)CCN1C[C@@H]1CC[NH2+]C1 ZINC000629575277 350713653 /nfs/dbraw/zinc/71/36/53/350713653.db2.gz NNRKSXCUKFKTDD-CJNGLKHVSA-N 1 3 276.399 3.003 20 0 CGADHO C[NH2+]CCOCCN(C)Cc1ccc(-c2ccccc2)cc1 ZINC000629565295 350713771 /nfs/dbraw/zinc/71/37/71/350713771.db2.gz FKABTKAMQUXLDD-UHFFFAOYSA-N 1 3 298.430 3.021 20 0 CGADHO C[NH+](C)Cc1cccc(-c2cccc([C@H]3CNCCO3)c2)c1 ZINC000629707461 350747614 /nfs/dbraw/zinc/74/76/14/350747614.db2.gz TWPBQRQCPBJFQZ-LJQANCHMSA-N 1 3 296.414 3.076 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839653 351150780 /nfs/dbraw/zinc/15/07/80/351150780.db2.gz JCCRRGRJPQWTKJ-UXIGCNINSA-N 1 3 266.816 3.318 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634734169 351579708 /nfs/dbraw/zinc/57/97/08/351579708.db2.gz YNDJSMUMLVUPJQ-HIFRSBDPSA-N 1 3 280.481 3.437 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475169 198031663 /nfs/dbraw/zinc/03/16/63/198031663.db2.gz PTPDXUARZCRLAE-CJNGLKHVSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475169 198031664 /nfs/dbraw/zinc/03/16/64/198031664.db2.gz PTPDXUARZCRLAE-CJNGLKHVSA-N 1 3 280.843 3.297 20 0 CGADHO C1CC12CCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000635003046 351621676 /nfs/dbraw/zinc/62/16/76/351621676.db2.gz FMPBRYNFDJSJDO-ZJIFWQFVSA-N 1 3 262.441 3.220 20 0 CGADHO COc1ccc([C@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003976 351621809 /nfs/dbraw/zinc/62/18/09/351621809.db2.gz GGIOOPRXVOVPJQ-MAUKXSAKSA-N 1 3 298.430 3.306 20 0 CGADHO c1cc(C[NH2+][C@@H](C2CC2)C2CCC2)c2c(c1)CNCC2 ZINC000635004046 351622101 /nfs/dbraw/zinc/62/21/01/351622101.db2.gz MUFQUVXBPZVTEY-GOSISDBHSA-N 1 3 270.420 3.001 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635006278 351624836 /nfs/dbraw/zinc/62/48/36/351624836.db2.gz BNJYEICKHBHULF-CYBMUJFWSA-N 1 3 258.409 3.001 20 0 CGADHO Cc1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635009638 351627587 /nfs/dbraw/zinc/62/75/87/351627587.db2.gz JRHBNLMALJYZHT-OAHLLOKOSA-N 1 3 280.415 3.492 20 0 CGADHO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010023 351628619 /nfs/dbraw/zinc/62/86/19/351628619.db2.gz IRQJXKXTWPOWIP-CHWSQXEVSA-N 1 3 266.454 3.485 20 0 CGADHO CC(C)[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1 ZINC000635012196 351630489 /nfs/dbraw/zinc/63/04/89/351630489.db2.gz RUHLUBBOUBPZJT-HZPDHXFCSA-N 1 3 275.440 3.147 20 0 CGADHO COc1cccc2c1CC[C@H]2N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013369 351631434 /nfs/dbraw/zinc/63/14/34/351631434.db2.gz YBVKKWNUJLSMSI-XJKSGUPXSA-N 1 3 288.435 3.050 20 0 CGADHO Cc1ccccc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000339846707 215363220 /nfs/dbraw/zinc/36/32/20/215363220.db2.gz RWHJIQVZPJDBNC-GOSISDBHSA-N 1 3 272.436 3.159 20 0 CGADHO Cc1ccccc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000339846707 215363223 /nfs/dbraw/zinc/36/32/23/215363223.db2.gz RWHJIQVZPJDBNC-GOSISDBHSA-N 1 3 272.436 3.159 20 0 CGADHO Cc1oc2ccccc2c1CN1CCCC[C@@H]1CC[NH3+] ZINC000123582722 187099625 /nfs/dbraw/zinc/09/96/25/187099625.db2.gz AKPXQXNRXQWNBF-CQSZACIVSA-N 1 3 272.392 3.445 20 0 CGADHO COCc1ccccc1/C=C(\C)CN[C@H](C)CC[NH+](C)C ZINC000352285000 219393312 /nfs/dbraw/zinc/39/33/12/219393312.db2.gz CSTGZJBISUHVIO-ASNKMWSDSA-N 1 3 290.451 3.166 20 0 CGADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000152397252 188015988 /nfs/dbraw/zinc/01/59/88/188015988.db2.gz NIIZQDZXRJGAIB-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397252 188015989 /nfs/dbraw/zinc/01/59/89/188015989.db2.gz NIIZQDZXRJGAIB-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000271868190 191378884 /nfs/dbraw/zinc/37/88/84/191378884.db2.gz LYTKJWIKGYERBP-RTBURBONSA-N 1 3 284.447 3.249 20 0 CGADHO COc1ccccc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414176591 235354235 /nfs/dbraw/zinc/35/42/35/235354235.db2.gz JEBIKKJSKVXIMK-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO COc1ccccc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414176591 235354236 /nfs/dbraw/zinc/35/42/36/235354236.db2.gz JEBIKKJSKVXIMK-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC000111695550 138364597 /nfs/dbraw/zinc/36/45/97/138364597.db2.gz GCXHJOFCKBBYAK-GDBMZVCRSA-N 1 3 268.404 3.399 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccncc1Cl ZINC000421845804 235874637 /nfs/dbraw/zinc/87/46/37/235874637.db2.gz XVTGGGKWLVISIE-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422761800 235915399 /nfs/dbraw/zinc/91/53/99/235915399.db2.gz HQQWJYXJGKIERU-IUODEOHRSA-N 1 3 278.827 3.089 20 0 CGADHO Cc1cccc([C@@H](N[C@H](C)CCC[NH3+])c2ccccn2)c1 ZINC000423022952 235959068 /nfs/dbraw/zinc/95/90/68/235959068.db2.gz ISZGUBLXZDDSGF-CRAIPNDOSA-N 1 3 283.419 3.196 20 0 CGADHO Cc1cc(OCCC[C@@H](C)[NH2+]CC2CNC2)ccc1Cl ZINC000423339278 236043457 /nfs/dbraw/zinc/04/34/57/236043457.db2.gz ZLQNBKSIYRBERA-CYBMUJFWSA-N 1 3 296.842 3.005 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000423357772 236049160 /nfs/dbraw/zinc/04/91/60/236049160.db2.gz ARBYQFYNLJDDMA-DILNWQEPSA-N 1 3 288.435 3.047 20 0 CGADHO Cc1ccc([C@H](NCC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423368346 236052529 /nfs/dbraw/zinc/05/25/29/236052529.db2.gz RVWSJGLQZYLAKG-SJORKVTESA-N 1 3 258.409 3.178 20 0 CGADHO COCCC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(F)cc1 ZINC000423370915 236053385 /nfs/dbraw/zinc/05/33/85/236053385.db2.gz DZOPRSOEUOMKLS-COXVUDFISA-N 1 3 294.414 3.024 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000423377688 236054875 /nfs/dbraw/zinc/05/48/75/236054875.db2.gz WCUCCSQRGWGVHC-WCXIOVBPSA-N 1 3 258.409 3.182 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423407422 236066381 /nfs/dbraw/zinc/06/63/81/236066381.db2.gz VTKWEJSWCGEAQZ-UAGQMJEPSA-N 1 3 272.436 3.268 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423407422 236066382 /nfs/dbraw/zinc/06/63/82/236066382.db2.gz VTKWEJSWCGEAQZ-UAGQMJEPSA-N 1 3 272.436 3.268 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423440792 236071097 /nfs/dbraw/zinc/07/10/97/236071097.db2.gz OULKJHIWQKGYKO-FUEDEBDSSA-N 1 3 280.362 3.004 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443434 236072605 /nfs/dbraw/zinc/07/26/05/236072605.db2.gz KKNCPEDIFDNLDN-DCAQKATOSA-N 1 3 288.407 3.430 20 0 CGADHO COC[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423469626 236078091 /nfs/dbraw/zinc/07/80/91/236078091.db2.gz CVFCQBJCUYTRTF-JKSUJKDBSA-N 1 3 296.842 3.149 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000425930102 236273753 /nfs/dbraw/zinc/27/37/53/236273753.db2.gz ZJVYPYWGKNOORG-OIISXLGYSA-N 1 3 289.467 3.204 20 0 CGADHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1 ZINC000092739409 299289802 /nfs/dbraw/zinc/28/98/02/299289802.db2.gz VSOHGPYEPZLRHX-ZACQAIPSSA-N 1 3 289.467 3.490 20 0 CGADHO CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000341969465 216170768 /nfs/dbraw/zinc/17/07/68/216170768.db2.gz PDTZYPMJLHSMCL-YWPYICTPSA-N 1 3 296.455 3.366 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000177947098 189081002 /nfs/dbraw/zinc/08/10/02/189081002.db2.gz GNCQRVOBXUSXAK-LZLYRXPVSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947098 189081003 /nfs/dbraw/zinc/08/10/03/189081003.db2.gz GNCQRVOBXUSXAK-LZLYRXPVSA-N 1 3 290.451 3.001 20 0 CGADHO C[C@H](CN1CCC(C[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000449009371 239110154 /nfs/dbraw/zinc/11/01/54/239110154.db2.gz HPDMZVTXPQIPQP-CYBMUJFWSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)c1ccccc1 ZINC000415089735 299374667 /nfs/dbraw/zinc/37/46/67/299374667.db2.gz WRBFTWATSIFKJM-GOEBONIOSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000415089735 299374673 /nfs/dbraw/zinc/37/46/73/299374673.db2.gz WRBFTWATSIFKJM-GOEBONIOSA-N 1 3 260.425 3.084 20 0 CGADHO CC(C)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000483202472 243265665 /nfs/dbraw/zinc/26/56/65/243265665.db2.gz PKDQWJINWKWDPV-IRXDYDNUSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)C1CC([NH2+]Cc2ccc(CN(C)C)cc2)C1 ZINC000486870496 243376032 /nfs/dbraw/zinc/37/60/32/243376032.db2.gz RZDVCYIDUYBMRL-UHFFFAOYSA-N 1 3 260.425 3.272 20 0 CGADHO C(CN1CCC2(CCC2)C1)C[N@@H+]1CCC2(CCC2)C1 ZINC000123388921 370911204 /nfs/dbraw/zinc/91/12/04/370911204.db2.gz TXPTXQOCJVFAEE-UHFFFAOYSA-N 1 3 262.441 3.129 20 0 CGADHO C(CN1CCC2(CCC2)C1)C[N@H+]1CCC2(CCC2)C1 ZINC000123388921 370911206 /nfs/dbraw/zinc/91/12/06/370911206.db2.gz TXPTXQOCJVFAEE-UHFFFAOYSA-N 1 3 262.441 3.129 20 0 CGADHO CN(C)Cc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000123615610 370912934 /nfs/dbraw/zinc/91/29/34/370912934.db2.gz IMKDYOCTVRUTFM-UHFFFAOYSA-N 1 3 258.409 3.026 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C1CNC1 ZINC000422833810 296127469 /nfs/dbraw/zinc/12/74/69/296127469.db2.gz GZGHBAFPUOFHIU-VQIMIIECSA-N 1 3 294.442 3.210 20 0 CGADHO C[C@@H](NC[C@@H](Cc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422833810 296127470 /nfs/dbraw/zinc/12/74/70/296127470.db2.gz GZGHBAFPUOFHIU-VQIMIIECSA-N 1 3 294.442 3.210 20 0 CGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000037374102 369083625 /nfs/dbraw/zinc/08/36/25/369083625.db2.gz RNFWCCBMNGYIQC-HNNXBMFYSA-N 1 3 281.403 3.401 20 0 CGADHO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037649306 369097808 /nfs/dbraw/zinc/09/78/08/369097808.db2.gz QPAFCKKRARPABK-GJZGRUSLSA-N 1 3 288.435 3.139 20 0 CGADHO C[C@H](C[NH2+]CC1CCCCC1)CN1CCCCC1 ZINC000037997587 369135851 /nfs/dbraw/zinc/13/58/51/369135851.db2.gz UYZOACXWXJPBCU-OAHLLOKOSA-N 1 3 252.446 3.278 20 0 CGADHO CC[NH+]1CCC(N[C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000038098216 369144833 /nfs/dbraw/zinc/14/48/33/369144833.db2.gz UIGHIFPOLORYBH-KRWDZBQOSA-N 1 3 276.399 3.351 20 0 CGADHO c1ccc([C@@H](NCCC[NH+]2CCCC2)C2CC2)cc1 ZINC000041075332 369172122 /nfs/dbraw/zinc/17/21/22/369172122.db2.gz GAYWBUQPIUZGCV-QGZVFWFLSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000041075332 369172127 /nfs/dbraw/zinc/17/21/27/369172127.db2.gz GAYWBUQPIUZGCV-QGZVFWFLSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@@H]1CCCN(C2CCC2)C1 ZINC000494995961 244344770 /nfs/dbraw/zinc/34/47/70/244344770.db2.gz MXHXGQICCFWSIT-IETPZCKNSA-N 1 3 264.457 3.274 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000226352403 189773247 /nfs/dbraw/zinc/77/32/47/189773247.db2.gz TUGYYYVCOZOPJJ-PWSUYJOCSA-N 1 3 272.845 3.051 20 0 CGADHO c1cc2c(s1)CCC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061328135 369598705 /nfs/dbraw/zinc/59/87/05/369598705.db2.gz RONVZYJODIUQJS-DOMZBBRYSA-N 1 3 276.449 3.199 20 0 CGADHO c1cc2c(s1)CCC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000061328135 369598710 /nfs/dbraw/zinc/59/87/10/369598710.db2.gz RONVZYJODIUQJS-DOMZBBRYSA-N 1 3 276.449 3.199 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000062077380 369617771 /nfs/dbraw/zinc/61/77/71/369617771.db2.gz FWCOUUUDCAVYAR-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000070169672 369786678 /nfs/dbraw/zinc/78/66/78/369786678.db2.gz CDFZBTFQTSFGMB-NWDGAFQWSA-N 1 3 268.351 3.087 20 0 CGADHO CS[C@H](C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000090725655 370068115 /nfs/dbraw/zinc/06/81/15/370068115.db2.gz DKOCUKWXFXHOPH-KGLIPLIRSA-N 1 3 296.480 3.029 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043667 370089619 /nfs/dbraw/zinc/08/96/19/370089619.db2.gz FXSNIVCKDZMDQW-QAPCUYQASA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043667 370089624 /nfs/dbraw/zinc/08/96/24/370089624.db2.gz FXSNIVCKDZMDQW-QAPCUYQASA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043667 370089628 /nfs/dbraw/zinc/08/96/28/370089628.db2.gz FXSNIVCKDZMDQW-QAPCUYQASA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000092043667 370089631 /nfs/dbraw/zinc/08/96/31/370089631.db2.gz FXSNIVCKDZMDQW-QAPCUYQASA-N 1 3 283.419 3.084 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC000092043383 370090542 /nfs/dbraw/zinc/09/05/42/370090542.db2.gz XIKSOJAJOUITGD-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(C)c1 ZINC000092043383 370090546 /nfs/dbraw/zinc/09/05/46/370090546.db2.gz XIKSOJAJOUITGD-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000092043383 370090548 /nfs/dbraw/zinc/09/05/48/370090548.db2.gz XIKSOJAJOUITGD-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000092043383 370090552 /nfs/dbraw/zinc/09/05/52/370090552.db2.gz XIKSOJAJOUITGD-MSOLQXFVSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(F)c1 ZINC000093514877 370138575 /nfs/dbraw/zinc/13/85/75/370138575.db2.gz AKZWSJYFIQUZCN-PBHICJAKSA-N 1 3 278.415 3.269 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644422 370151235 /nfs/dbraw/zinc/15/12/35/370151235.db2.gz ZHPXPRPTPKXCAX-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000093644422 370151238 /nfs/dbraw/zinc/15/12/38/370151238.db2.gz ZHPXPRPTPKXCAX-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770487 370157714 /nfs/dbraw/zinc/15/77/14/370157714.db2.gz KIDYJRZNVDYFBV-KRWDZBQOSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000093770487 370157716 /nfs/dbraw/zinc/15/77/16/370157716.db2.gz KIDYJRZNVDYFBV-KRWDZBQOSA-N 1 3 260.425 3.077 20 0 CGADHO c1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000093769287 370158906 /nfs/dbraw/zinc/15/89/06/370158906.db2.gz HJEVCESCHFCBBS-UHFFFAOYSA-N 1 3 293.480 3.231 20 0 CGADHO COCCCCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103227502 370320789 /nfs/dbraw/zinc/32/07/89/370320789.db2.gz JLCINXIGTBAXMI-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO COCCCCC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000103227502 370320793 /nfs/dbraw/zinc/32/07/93/370320793.db2.gz JLCINXIGTBAXMI-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO COCCCCC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000103227502 370320797 /nfs/dbraw/zinc/32/07/97/370320797.db2.gz JLCINXIGTBAXMI-SFHVURJKSA-N 1 3 296.499 3.247 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCNCC1)C(C)(C)c1ccccc1 ZINC000415089737 296162589 /nfs/dbraw/zinc/16/25/89/296162589.db2.gz WRBFTWATSIFKJM-ZBFHGGJFSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000415089737 296162590 /nfs/dbraw/zinc/16/25/90/296162590.db2.gz WRBFTWATSIFKJM-ZBFHGGJFSA-N 1 3 260.425 3.084 20 0 CGADHO CN(Cc1cccc2cccnc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841282 370627782 /nfs/dbraw/zinc/62/77/82/370627782.db2.gz WRNZVRWGNPFCRP-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CN(Cc1cccc2cccnc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841282 370627783 /nfs/dbraw/zinc/62/77/83/370627783.db2.gz WRNZVRWGNPFCRP-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000129892221 371005663 /nfs/dbraw/zinc/00/56/63/371005663.db2.gz CMGIBVGCMCXZDF-UHFFFAOYSA-N 1 3 272.392 3.254 20 0 CGADHO CC(C)(C)[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132090336 371149816 /nfs/dbraw/zinc/14/98/16/371149816.db2.gz JSPUOZFZDBKRHF-ZBFHGGJFSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132090336 371149822 /nfs/dbraw/zinc/14/98/22/371149822.db2.gz JSPUOZFZDBKRHF-ZBFHGGJFSA-N 1 3 260.425 3.363 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132228869 371159489 /nfs/dbraw/zinc/15/94/89/371159489.db2.gz HCZZDDZMSMVNOU-UKRRQHHQSA-N 1 3 284.403 3.018 20 0 CGADHO CCc1oc2ccccc2c1C[N@H+](C)CCCN(C)C ZINC000337302014 376203428 /nfs/dbraw/zinc/20/34/28/376203428.db2.gz PCDOZMUHFRSWPW-UHFFFAOYSA-N 1 3 274.408 3.379 20 0 CGADHO CCc1oc2ccccc2c1C[N@@H+](C)CCCN(C)C ZINC000337302014 376203431 /nfs/dbraw/zinc/20/34/31/376203431.db2.gz PCDOZMUHFRSWPW-UHFFFAOYSA-N 1 3 274.408 3.379 20 0 CGADHO Cc1ccccc1[C@@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000133290425 371241779 /nfs/dbraw/zinc/24/17/79/371241779.db2.gz NJURDKLNSRJAOZ-IAGOWNOFSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000133290425 371241787 /nfs/dbraw/zinc/24/17/87/371241787.db2.gz NJURDKLNSRJAOZ-IAGOWNOFSA-N 1 3 272.436 3.474 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000133290425 371241794 /nfs/dbraw/zinc/24/17/94/371241794.db2.gz NJURDKLNSRJAOZ-IAGOWNOFSA-N 1 3 272.436 3.474 20 0 CGADHO CC[NH+](CC)CCCN[C@@H](C)Cc1ccccc1F ZINC000134016891 371295808 /nfs/dbraw/zinc/29/58/08/371295808.db2.gz FXZIEOWXMHJQID-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000134016891 371295814 /nfs/dbraw/zinc/29/58/14/371295814.db2.gz FXZIEOWXMHJQID-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccco2)CC1 ZINC000134165896 371308544 /nfs/dbraw/zinc/30/85/44/371308544.db2.gz WURVTFVCNXHFNN-UHFFFAOYSA-N 1 3 264.413 3.224 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccco2)CC1 ZINC000134165896 371308548 /nfs/dbraw/zinc/30/85/48/371308548.db2.gz WURVTFVCNXHFNN-UHFFFAOYSA-N 1 3 264.413 3.224 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCC(F)(F)F ZINC000148640553 371522686 /nfs/dbraw/zinc/52/26/86/371522686.db2.gz ZDKMGHHYVDKCJL-NWDGAFQWSA-N 1 3 266.351 3.229 20 0 CGADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1c(F)cccc1F ZINC000422712414 371763952 /nfs/dbraw/zinc/76/39/52/371763952.db2.gz NZHBGYXXUCQFNG-VOMCLLRMSA-N 1 3 268.351 3.133 20 0 CGADHO Cc1sc(CN[C@@H](C)CCCC[NH3+])nc1C(C)C ZINC000422714312 371765196 /nfs/dbraw/zinc/76/51/96/371765196.db2.gz QUKOGIAGTKSLNO-NSHDSACASA-N 1 3 269.458 3.182 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])c1cccs1 ZINC000422733319 371773248 /nfs/dbraw/zinc/77/32/48/371773248.db2.gz AYEDGTJXSUTQFA-CHWSQXEVSA-N 1 3 266.454 3.275 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737276 371775149 /nfs/dbraw/zinc/77/51/49/371775149.db2.gz ZLWFPMOCNMVLMS-RTBURBONSA-N 1 3 296.414 3.235 20 0 CGADHO COc1ccccc1C1(CN[C@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000422739186 371778161 /nfs/dbraw/zinc/77/81/61/371778161.db2.gz KTWPFFRIVCCEKS-LSDHHAIUSA-N 1 3 290.451 3.222 20 0 CGADHO COc1ccccc1C1(C[NH2+][C@H](C)C[C@H](C)N)CCCC1 ZINC000422739186 371778168 /nfs/dbraw/zinc/77/81/68/371778168.db2.gz KTWPFFRIVCCEKS-LSDHHAIUSA-N 1 3 290.451 3.222 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N)cc1 ZINC000422836927 371831912 /nfs/dbraw/zinc/83/19/12/371831912.db2.gz KZXHEWFLHUJDAZ-KGLIPLIRSA-N 1 3 262.441 3.242 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422836927 371831920 /nfs/dbraw/zinc/83/19/20/371831920.db2.gz KZXHEWFLHUJDAZ-KGLIPLIRSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000422767911 371794886 /nfs/dbraw/zinc/79/48/86/371794886.db2.gz NFDFACWUANRERO-IHRRRGAJSA-N 1 3 260.425 3.342 20 0 CGADHO CC(C)[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000422790854 371810609 /nfs/dbraw/zinc/81/06/09/371810609.db2.gz UJOHCVDXBWPSER-ZOWXZIJZSA-N 1 3 252.377 3.238 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422815082 371826354 /nfs/dbraw/zinc/82/63/54/371826354.db2.gz ASUWNAIDGOBKOU-RNJOBUHISA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422815082 371826360 /nfs/dbraw/zinc/82/63/60/371826360.db2.gz ASUWNAIDGOBKOU-RNJOBUHISA-N 1 3 278.362 3.085 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1cccc(F)c1 ZINC000422855671 371843202 /nfs/dbraw/zinc/84/32/02/371843202.db2.gz VSSALMDSGMSPBK-FRFSOERESA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422855671 371843209 /nfs/dbraw/zinc/84/32/09/371843209.db2.gz VSSALMDSGMSPBK-FRFSOERESA-N 1 3 294.414 3.090 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1F ZINC000422856310 371843416 /nfs/dbraw/zinc/84/34/16/371843416.db2.gz WUPQGZMEFRMQTR-JKSUJKDBSA-N 1 3 278.415 3.353 20 0 CGADHO Cc1ccc(OCCCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422864202 371844740 /nfs/dbraw/zinc/84/47/40/371844740.db2.gz UOSVOUDEMCCBNQ-SJORKVTESA-N 1 3 276.424 3.014 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000422945850 371885056 /nfs/dbraw/zinc/88/50/56/371885056.db2.gz VLZINGDZMMBNCM-HHARLNAUSA-N 1 3 294.483 3.090 20 0 CGADHO Cc1nc(C)c(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000422885244 371853405 /nfs/dbraw/zinc/85/34/05/371853405.db2.gz GOJVNTAWCOAJLM-HUUCEWRRSA-N 1 3 287.432 3.037 20 0 CGADHO Cc1nc(C)c(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)s1 ZINC000422885244 371853411 /nfs/dbraw/zinc/85/34/11/371853411.db2.gz GOJVNTAWCOAJLM-HUUCEWRRSA-N 1 3 287.432 3.037 20 0 CGADHO Cc1nc(C)c(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000422891971 371856810 /nfs/dbraw/zinc/85/68/10/371856810.db2.gz XDNSPPPWSCMKAD-IUODEOHRSA-N 1 3 295.496 3.203 20 0 CGADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1oc2ccccc2c1C ZINC000422893841 371858171 /nfs/dbraw/zinc/85/81/71/371858171.db2.gz BABMEBVOSIKMLA-ZIAGYGMSSA-N 1 3 290.407 3.146 20 0 CGADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422897203 371859145 /nfs/dbraw/zinc/85/91/45/371859145.db2.gz BMCHJTAYDJZNNE-SJKOYZFVSA-N 1 3 290.357 3.013 20 0 CGADHO C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000036952714 541860198 /nfs/dbraw/zinc/86/01/98/541860198.db2.gz PSJRNZDUXIPNBV-NWDGAFQWSA-N 1 3 282.378 3.346 20 0 CGADHO Cc1cc(C)cc(C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422921391 371871552 /nfs/dbraw/zinc/87/15/52/371871552.db2.gz OBTBIOFHNMPOGS-NAZJXLNTSA-N 1 3 272.436 3.107 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1cccc(C)c1 ZINC000422922484 371871768 /nfs/dbraw/zinc/87/17/68/371871768.db2.gz SWSLRTCPLTVJOL-JZXOWHBKSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422922484 371871775 /nfs/dbraw/zinc/87/17/75/371871775.db2.gz SWSLRTCPLTVJOL-JZXOWHBKSA-N 1 3 290.451 3.260 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422924774 371874253 /nfs/dbraw/zinc/87/42/53/371874253.db2.gz BDTMJCJWAQJPRP-YOEHRIQHSA-N 1 3 290.451 3.080 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422944437 371883577 /nfs/dbraw/zinc/88/35/77/371883577.db2.gz MGPDMWFUXPAFLB-SJORKVTESA-N 1 3 290.451 3.179 20 0 CGADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000422947174 371887009 /nfs/dbraw/zinc/88/70/09/371887009.db2.gz PYJRYPBRKCQYRW-MCIONIFRSA-N 1 3 296.480 3.139 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422840937 371837358 /nfs/dbraw/zinc/83/73/58/371837358.db2.gz CJIDSDVYNNCZDW-KBPBESRZSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(C(C)(C)C)cc1 ZINC000422840937 371837362 /nfs/dbraw/zinc/83/73/62/371837362.db2.gz CJIDSDVYNNCZDW-KBPBESRZSA-N 1 3 262.441 3.242 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2c(F)cccc2F)CCCC1 ZINC000422849110 371839299 /nfs/dbraw/zinc/83/92/99/371839299.db2.gz ULNCXQWSEMKMRJ-QWHCGFSZSA-N 1 3 296.405 3.492 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422849110 371839302 /nfs/dbraw/zinc/83/93/02/371839302.db2.gz ULNCXQWSEMKMRJ-QWHCGFSZSA-N 1 3 296.405 3.492 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCSc2c(F)cccc21 ZINC000422853305 371840642 /nfs/dbraw/zinc/84/06/42/371840642.db2.gz YXVSHJSIJDEJLQ-LEWSCRJBSA-N 1 3 280.412 3.080 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC2)c2ccccc21 ZINC000423048748 371934250 /nfs/dbraw/zinc/93/42/50/371934250.db2.gz IQNIDJZTHLCWDE-ZWKOTPCHSA-N 1 3 278.399 3.496 20 0 CGADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1(C)C ZINC000423052699 371936246 /nfs/dbraw/zinc/93/62/46/371936246.db2.gz RBHZKDUHFQFIBU-OVYGPGRDSA-N 1 3 294.483 3.089 20 0 CGADHO COCCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCCCC1 ZINC000423060410 371939253 /nfs/dbraw/zinc/93/92/53/371939253.db2.gz ICRSAZNNJCAHRT-HOTGVXAUSA-N 1 3 282.472 3.081 20 0 CGADHO CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422951268 371888831 /nfs/dbraw/zinc/88/88/31/371888831.db2.gz XURILNPBFFPLGM-VLMYXLFRSA-N 1 3 296.499 3.325 20 0 CGADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422966301 371895653 /nfs/dbraw/zinc/89/56/53/371895653.db2.gz NLVJDEYYNHPZFW-GTTSAUCSSA-N 1 3 285.391 3.129 20 0 CGADHO Cc1cc([C@H](N[C@H](C)[C@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423018747 371918570 /nfs/dbraw/zinc/91/85/70/371918570.db2.gz ZOLSCRFZEFAOSR-ISTRZQFTSA-N 1 3 276.399 3.173 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000423020862 371918770 /nfs/dbraw/zinc/91/87/70/371918770.db2.gz CZTPJVRKPBRPBJ-JQFCIGGWSA-N 1 3 276.399 3.310 20 0 CGADHO [NH3+]C1CCC(N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000423026562 371922915 /nfs/dbraw/zinc/92/29/15/371922915.db2.gz QGLDSLJFXZERRS-LEOMRAHMSA-N 1 3 299.393 3.170 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](c1ccccc1)C(F)(F)F ZINC000423065653 371944407 /nfs/dbraw/zinc/94/44/07/371944407.db2.gz VEWMRNRTKQTSKB-MJBXVCDLSA-N 1 3 286.341 3.050 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[C@H]1CCCCO1 ZINC000423039540 371928410 /nfs/dbraw/zinc/92/84/10/371928410.db2.gz QUCDWXREWFJJHO-BRWVUGGUSA-N 1 3 282.472 3.236 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC2)c2ccccc21 ZINC000423048746 371933485 /nfs/dbraw/zinc/93/34/85/371933485.db2.gz IQNIDJZTHLCWDE-QZTJIDSGSA-N 1 3 278.399 3.496 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099239 371962751 /nfs/dbraw/zinc/96/27/51/371962751.db2.gz FFXWMODSOIHDST-GHMZBOCLSA-N 1 3 274.861 3.440 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099589 371962789 /nfs/dbraw/zinc/96/27/89/371962789.db2.gz FPBKZGUIEUPQAE-YPMHNXCESA-N 1 3 286.872 3.441 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423103110 371965941 /nfs/dbraw/zinc/96/59/41/371965941.db2.gz XPFKQLCMAMHBHZ-CYUUQNCZSA-N 1 3 298.352 3.421 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000423101645 371966270 /nfs/dbraw/zinc/96/62/70/371966270.db2.gz NTOYQZJYHXHUSS-NBOOPKSLSA-N 1 3 272.436 3.219 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423101645 371966276 /nfs/dbraw/zinc/96/62/76/371966276.db2.gz NTOYQZJYHXHUSS-NBOOPKSLSA-N 1 3 272.436 3.219 20 0 CGADHO CSCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000423115226 371975445 /nfs/dbraw/zinc/97/54/45/371975445.db2.gz XODUPRJSRXXXOV-HZPDHXFCSA-N 1 3 278.465 3.299 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC1(F)CCC1 ZINC000423122599 371976038 /nfs/dbraw/zinc/97/60/38/371976038.db2.gz KEEBFVWNLFYPLW-UONOGXRCSA-N 1 3 256.409 3.169 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000423125640 371979202 /nfs/dbraw/zinc/97/92/02/371979202.db2.gz NPYZFYLEJOKQGN-MYXTYHMWSA-N 1 3 290.373 3.228 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173219 372002763 /nfs/dbraw/zinc/00/27/63/372002763.db2.gz XMOZCILCCPNHJP-HKCMKHECSA-N 1 3 296.817 3.313 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423144387 371990577 /nfs/dbraw/zinc/99/05/77/371990577.db2.gz GUCNSLXJNTVUCZ-JXFSHQFZSA-N 1 3 278.827 3.303 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423144389 371991095 /nfs/dbraw/zinc/99/10/95/371991095.db2.gz GUCNSLXJNTVUCZ-QCQGSNGOSA-N 1 3 278.827 3.303 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423166053 371997547 /nfs/dbraw/zinc/99/75/47/371997547.db2.gz BZVHYWBOWGLOGT-HUUCEWRRSA-N 1 3 278.827 3.132 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(Cc2cccc(Cl)c2)CC1 ZINC000423166051 371997781 /nfs/dbraw/zinc/99/77/81/371997781.db2.gz BZVHYWBOWGLOGT-CABCVRRESA-N 1 3 278.827 3.132 20 0 CGADHO C[NH+]1CCC([C@H]2CCN(Cc3cc(F)ccc3F)C2)CC1 ZINC000290480768 371998723 /nfs/dbraw/zinc/99/87/23/371998723.db2.gz NZKBEOVCWCAAFG-AWEZNQCLSA-N 1 3 294.389 3.129 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083967 371954618 /nfs/dbraw/zinc/95/46/18/371954618.db2.gz GRRLERKAUSUEKO-CAVOSLQRSA-N 1 3 264.388 3.177 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCCNC1)c1cccc(Br)c1 ZINC000423197249 372020828 /nfs/dbraw/zinc/02/08/28/372020828.db2.gz YPPXCCJPOASJDN-UONOGXRCSA-N 1 3 297.240 3.242 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCNC1)c1cccc(Br)c1 ZINC000423197250 372021450 /nfs/dbraw/zinc/02/14/50/372021450.db2.gz YPPXCCJPOASJDN-ZIAGYGMSSA-N 1 3 297.240 3.242 20 0 CGADHO C[NH2+]CCCN[C@H](c1cccs1)C1CCCC1 ZINC000423198145 372023426 /nfs/dbraw/zinc/02/34/26/372023426.db2.gz DJVFAWJLOHXGAR-AWEZNQCLSA-N 1 3 252.427 3.179 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423209387 372032403 /nfs/dbraw/zinc/03/24/03/372032403.db2.gz FDGSVGJDMJFJRQ-NFAWXSAZSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423222029 372040295 /nfs/dbraw/zinc/04/02/95/372040295.db2.gz ZGLMDAZNAURMFC-QYKUSJBESA-N 1 3 272.436 3.156 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000423279380 372045622 /nfs/dbraw/zinc/04/56/22/372045622.db2.gz SHIBLCGVYBLDLM-UAGQMJEPSA-N 1 3 260.425 3.158 20 0 CGADHO Clc1cccc([C@@H]2CCC[C@H]([NH2+]CC3CNC3)C2)c1 ZINC000423317300 372051210 /nfs/dbraw/zinc/05/12/10/372051210.db2.gz KGNKHFSBCCXHOU-ZBFHGGJFSA-N 1 3 278.827 3.175 20 0 CGADHO Clc1cccc([C@@H]2CCC[C@H](NCC3C[NH2+]C3)C2)c1 ZINC000423317300 372051213 /nfs/dbraw/zinc/05/12/13/372051213.db2.gz KGNKHFSBCCXHOU-ZBFHGGJFSA-N 1 3 278.827 3.175 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1cc2c(s1)CCCC2 ZINC000423330663 372051235 /nfs/dbraw/zinc/05/12/35/372051235.db2.gz PPDUSLNCBDQWNK-NSHDSACASA-N 1 3 264.438 3.159 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2cc(Br)ccc21 ZINC000423312987 372051734 /nfs/dbraw/zinc/05/17/34/372051734.db2.gz VZTPKBYLINEIGX-HZMBPMFUSA-N 1 3 297.240 3.011 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000158122727 372053468 /nfs/dbraw/zinc/05/34/68/372053468.db2.gz VDJBYACLCINHFN-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000158122727 372053471 /nfs/dbraw/zinc/05/34/71/372053471.db2.gz VDJBYACLCINHFN-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423378682 372057836 /nfs/dbraw/zinc/05/78/36/372057836.db2.gz MOHJKZJNDCKGSC-COXVUDFISA-N 1 3 278.415 3.123 20 0 CGADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423182645 372011522 /nfs/dbraw/zinc/01/15/22/372011522.db2.gz QURQODADFKCYEE-GDBMZVCRSA-N 1 3 276.424 3.014 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCCC1)c1ccccn1 ZINC000159127492 372109284 /nfs/dbraw/zinc/10/92/84/372109284.db2.gz YRLRFULEONCWJW-MRXNPFEDSA-N 1 3 275.440 3.388 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000423457820 372065122 /nfs/dbraw/zinc/06/51/22/372065122.db2.gz GBGOGQARRLXILQ-YOEHRIQHSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C(C2CC2)C2CC2)C1 ZINC000158652085 372078208 /nfs/dbraw/zinc/07/82/08/372078208.db2.gz GFIDTTWRFMIPCF-OKILXGFUSA-N 1 3 264.457 3.133 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158662211 372079954 /nfs/dbraw/zinc/07/99/54/372079954.db2.gz AWWZPRWHLPEXMX-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158662211 372079961 /nfs/dbraw/zinc/07/99/61/372079961.db2.gz AWWZPRWHLPEXMX-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158662211 372079967 /nfs/dbraw/zinc/07/99/67/372079967.db2.gz AWWZPRWHLPEXMX-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662211 372079975 /nfs/dbraw/zinc/07/99/75/372079975.db2.gz AWWZPRWHLPEXMX-SJLPKXTDSA-N 1 3 272.436 3.220 20 0 CGADHO CC(C)CCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000429043741 372307751 /nfs/dbraw/zinc/30/77/51/372307751.db2.gz IGPRMMJKSQNYLS-IAGOWNOFSA-N 1 3 296.499 3.244 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430954774 372409761 /nfs/dbraw/zinc/40/97/61/372409761.db2.gz GKPCWGADKHYGRL-BDJLRTHQSA-N 1 3 282.378 3.475 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163382262 372465020 /nfs/dbraw/zinc/46/50/20/372465020.db2.gz MUOCDVNVMUCJTI-STQMWFEESA-N 1 3 280.378 3.427 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000294236489 372622389 /nfs/dbraw/zinc/62/23/89/372622389.db2.gz OSMJLXRVTHFNRU-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CCC[C@H](C)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387749 372755674 /nfs/dbraw/zinc/75/56/74/372755674.db2.gz BJOBAWHMNDYBAE-WMZOPIPTSA-N 1 3 289.467 3.462 20 0 CGADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000344579617 217236889 /nfs/dbraw/zinc/23/68/89/217236889.db2.gz GIKDNMSLLWDMKZ-CVEARBPZSA-N 1 3 296.499 3.028 20 0 CGADHO C[NH2+]CCCN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000435878699 372822484 /nfs/dbraw/zinc/82/24/84/372822484.db2.gz FGHBFRQDGXFIDP-STQMWFEESA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000435878699 372822489 /nfs/dbraw/zinc/82/24/89/372822489.db2.gz FGHBFRQDGXFIDP-STQMWFEESA-N 1 3 268.832 3.373 20 0 CGADHO CNCCC[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000435878699 372822495 /nfs/dbraw/zinc/82/24/95/372822495.db2.gz FGHBFRQDGXFIDP-STQMWFEESA-N 1 3 268.832 3.373 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC000436282377 372831789 /nfs/dbraw/zinc/83/17/89/372831789.db2.gz SJVQSEFQFDWTSZ-MSOLQXFVSA-N 1 3 272.436 3.398 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000172652125 373003968 /nfs/dbraw/zinc/00/39/68/373003968.db2.gz WTAYKEAVRQEPTA-PKOBYXMFSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000172652125 373003976 /nfs/dbraw/zinc/00/39/76/373003976.db2.gz WTAYKEAVRQEPTA-PKOBYXMFSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H](CCc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172652125 373003981 /nfs/dbraw/zinc/00/39/81/373003981.db2.gz WTAYKEAVRQEPTA-PKOBYXMFSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848914 373046694 /nfs/dbraw/zinc/04/66/94/373046694.db2.gz XGVYYZTWDBAIJQ-RDTXWAMCSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848914 373046697 /nfs/dbraw/zinc/04/66/97/373046697.db2.gz XGVYYZTWDBAIJQ-RDTXWAMCSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1cccc(C(C)(C)C)c1 ZINC000442768977 373075847 /nfs/dbraw/zinc/07/58/47/373075847.db2.gz PKBOQYXPWCWZRL-HUUCEWRRSA-N 1 3 290.451 3.032 20 0 CGADHO C[NH+](C)CC1CCC(NCc2ccc(Cl)o2)CC1 ZINC000344841778 217327960 /nfs/dbraw/zinc/32/79/60/217327960.db2.gz BNVONXBTPGNJCQ-UHFFFAOYSA-N 1 3 270.804 3.143 20 0 CGADHO Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000443057836 373145718 /nfs/dbraw/zinc/14/57/18/373145718.db2.gz IHSAOKDXANFDSV-HNNXBMFYSA-N 1 3 299.418 3.211 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000444638535 373215934 /nfs/dbraw/zinc/21/59/34/373215934.db2.gz JEAFCLHRAXGDGE-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000444638535 373215955 /nfs/dbraw/zinc/21/59/55/373215955.db2.gz JEAFCLHRAXGDGE-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000444638535 373215966 /nfs/dbraw/zinc/21/59/66/373215966.db2.gz JEAFCLHRAXGDGE-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000444638535 373215977 /nfs/dbraw/zinc/21/59/77/373215977.db2.gz JEAFCLHRAXGDGE-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2c1 ZINC000174515225 373331903 /nfs/dbraw/zinc/33/19/03/373331903.db2.gz ZTTLCTXGUUDIQL-KDOFPFPSSA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2c1 ZINC000174515225 373331912 /nfs/dbraw/zinc/33/19/12/373331912.db2.gz ZTTLCTXGUUDIQL-KDOFPFPSSA-N 1 3 298.430 3.421 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448062319 373545824 /nfs/dbraw/zinc/54/58/24/373545824.db2.gz AVESXTYOWBKENF-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCOC3(C)C)CC2)C1 ZINC000449412149 373689519 /nfs/dbraw/zinc/68/95/19/373689519.db2.gz BLZJDGJKIXOTLL-DJIMGWMZSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC3(C)C)CC2)C1 ZINC000449412149 373689522 /nfs/dbraw/zinc/68/95/22/373689522.db2.gz BLZJDGJKIXOTLL-DJIMGWMZSA-N 1 3 294.483 3.187 20 0 CGADHO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000178410901 373774465 /nfs/dbraw/zinc/77/44/65/373774465.db2.gz USYBSIMEUUMSCK-KRWDZBQOSA-N 1 3 288.435 3.366 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000178427135 373776224 /nfs/dbraw/zinc/77/62/24/373776224.db2.gz VGLGASVXXCNEOW-RYRKJORJSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC000302151974 373821933 /nfs/dbraw/zinc/82/19/33/373821933.db2.gz KXIVKGZOSKAGOP-CQSZACIVSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)cc[nH+]1 ZINC000302216810 373828474 /nfs/dbraw/zinc/82/84/74/373828474.db2.gz JBRADNANIYQBEO-MRXNPFEDSA-N 1 3 273.355 3.244 20 0 CGADHO Cc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000302587670 373900182 /nfs/dbraw/zinc/90/01/82/373900182.db2.gz VBTIAXHDIZCIJR-INIZCTEOSA-N 1 3 259.397 3.066 20 0 CGADHO Cc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000302587670 373900187 /nfs/dbraw/zinc/90/01/87/373900187.db2.gz VBTIAXHDIZCIJR-INIZCTEOSA-N 1 3 259.397 3.066 20 0 CGADHO CN1CCC[C@H]1CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180881088 374054436 /nfs/dbraw/zinc/05/44/36/374054436.db2.gz OKDXGDVSLKTFBZ-ZDUSSCGKSA-N 1 3 282.378 3.274 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000450856188 374182597 /nfs/dbraw/zinc/18/25/97/374182597.db2.gz OOLMJMGYQIDXAR-INIZCTEOSA-N 1 3 250.430 3.293 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000450856188 374182604 /nfs/dbraw/zinc/18/26/04/374182604.db2.gz OOLMJMGYQIDXAR-INIZCTEOSA-N 1 3 250.430 3.293 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCC2=CCCCC2)CC1 ZINC000450856188 374182608 /nfs/dbraw/zinc/18/26/08/374182608.db2.gz OOLMJMGYQIDXAR-INIZCTEOSA-N 1 3 250.430 3.293 20 0 CGADHO CN1CCCC12CC[NH+](CC13CCC(CC1)C3)CC2 ZINC000450641701 374167476 /nfs/dbraw/zinc/16/74/76/374167476.db2.gz GFIXEZMDIRUGQC-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO C[N@@H+]1CCCC12CCN(CC13CCC(CC1)C3)CC2 ZINC000450641701 374167484 /nfs/dbraw/zinc/16/74/84/374167484.db2.gz GFIXEZMDIRUGQC-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO C[N@H+]1CCCC12CCN(CC13CCC(CC1)C3)CC2 ZINC000450641701 374167491 /nfs/dbraw/zinc/16/74/91/374167491.db2.gz GFIXEZMDIRUGQC-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](CCCc2ccccc2Cl)C1 ZINC000181880630 374186317 /nfs/dbraw/zinc/18/63/17/374186317.db2.gz MLFXMQDZHBHVGU-CQSZACIVSA-N 1 3 280.843 3.156 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](CCCc2ccccc2Cl)C1 ZINC000181880630 374186324 /nfs/dbraw/zinc/18/63/24/374186324.db2.gz MLFXMQDZHBHVGU-CQSZACIVSA-N 1 3 280.843 3.156 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000453256678 374373739 /nfs/dbraw/zinc/37/37/39/374373739.db2.gz MHKUPBLUQOOMCI-GZBFAFLISA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000453256678 374373748 /nfs/dbraw/zinc/37/37/48/374373748.db2.gz MHKUPBLUQOOMCI-GZBFAFLISA-N 1 3 264.388 3.267 20 0 CGADHO C[C@H]([NH2+][C@H]1C=CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185694053 374714816 /nfs/dbraw/zinc/71/48/16/374714816.db2.gz YOMDBWMBNXTHSF-XHSDSOJGSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@H]1C=CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694053 374714824 /nfs/dbraw/zinc/71/48/24/374714824.db2.gz YOMDBWMBNXTHSF-XHSDSOJGSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@H]1C=CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694053 374714833 /nfs/dbraw/zinc/71/48/33/374714833.db2.gz YOMDBWMBNXTHSF-XHSDSOJGSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccccc2C2CC2)CC[N@@H+]1C ZINC000094357975 541986351 /nfs/dbraw/zinc/98/63/51/541986351.db2.gz VVCDKLQDTAZVEP-CZUORRHYSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357975 541986355 /nfs/dbraw/zinc/98/63/55/541986355.db2.gz VVCDKLQDTAZVEP-CZUORRHYSA-N 1 3 258.409 3.136 20 0 CGADHO CCCN(CCc1cccs1)CC[C@@H]1CCC[N@@H+]1C ZINC000464585676 374889222 /nfs/dbraw/zinc/88/92/22/374889222.db2.gz NNZHVCZILBWLKC-HNNXBMFYSA-N 1 3 280.481 3.487 20 0 CGADHO CCCN(CCc1cccs1)CC[C@@H]1CCC[N@H+]1C ZINC000464585676 374889227 /nfs/dbraw/zinc/88/92/27/374889227.db2.gz NNZHVCZILBWLKC-HNNXBMFYSA-N 1 3 280.481 3.487 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCSCC1 ZINC000186942944 374941511 /nfs/dbraw/zinc/94/15/11/374941511.db2.gz DFIOPYPSZDUZHJ-GJZGRUSLSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@H](C[NH3+])C1 ZINC000044527718 296226117 /nfs/dbraw/zinc/22/61/17/296226117.db2.gz IBGDPNFHYIAESK-NWDGAFQWSA-N 1 3 286.341 3.437 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000474479870 375115190 /nfs/dbraw/zinc/11/51/90/375115190.db2.gz SROCKCIOSXBAQC-XWTMOSNGSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000487278482 375218196 /nfs/dbraw/zinc/21/81/96/375218196.db2.gz OACZTPXJSLIHLN-RRFJBIMHSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2CCNCC2)c2sccc21 ZINC000335453411 375304560 /nfs/dbraw/zinc/30/45/60/375304560.db2.gz UMONAOKBEAJKHQ-GXFFZTMASA-N 1 3 250.411 3.028 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CC(OC(C)(C)C)C2)C1 ZINC000490168559 375320348 /nfs/dbraw/zinc/32/03/48/375320348.db2.gz XHKRXPQDHDUEDG-RYTJFDOTSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC(OC(C)(C)C)C2)C1 ZINC000490168559 375320355 /nfs/dbraw/zinc/32/03/55/375320355.db2.gz XHKRXPQDHDUEDG-RYTJFDOTSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490168559 375320362 /nfs/dbraw/zinc/32/03/62/375320362.db2.gz XHKRXPQDHDUEDG-RYTJFDOTSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)CC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000190737801 375536384 /nfs/dbraw/zinc/53/63/84/375536384.db2.gz HXZIHEKHUQMIME-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)CN1CCCC1 ZINC000192698671 375780189 /nfs/dbraw/zinc/78/01/89/375780189.db2.gz YYRIYRVTQRZXRZ-QAPCUYQASA-N 1 3 287.451 3.255 20 0 CGADHO CC(C)OCc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000520564843 375864409 /nfs/dbraw/zinc/86/44/09/375864409.db2.gz DDVCHNGNQWSTBL-ROUUACIJSA-N 1 3 290.451 3.361 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNC[C@@H]2CCC=CO2)c1 ZINC000194229486 375974609 /nfs/dbraw/zinc/97/46/09/375974609.db2.gz XUWSWENKJUTRSQ-SFHVURJKSA-N 1 3 288.435 3.311 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000193733517 375917373 /nfs/dbraw/zinc/91/73/73/375917373.db2.gz XKBTVZKAELWHOA-CQSZACIVSA-N 1 3 266.816 3.080 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2ccc(C)c(OC)c2)CC1 ZINC000193784383 375922778 /nfs/dbraw/zinc/92/27/78/375922778.db2.gz HEUGFLSRHDWIAX-UHFFFAOYSA-N 1 3 290.451 3.310 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2ccc(C)c(OC)c2)CC1 ZINC000193784383 375922785 /nfs/dbraw/zinc/92/27/85/375922785.db2.gz HEUGFLSRHDWIAX-UHFFFAOYSA-N 1 3 290.451 3.310 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029214 375949870 /nfs/dbraw/zinc/94/98/70/375949870.db2.gz IBHXBZCTPRWSIJ-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029214 375949877 /nfs/dbraw/zinc/94/98/77/375949877.db2.gz IBHXBZCTPRWSIJ-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC[C@@H](C)c2ccccc2)C1 ZINC000194029214 375949882 /nfs/dbraw/zinc/94/98/82/375949882.db2.gz IBHXBZCTPRWSIJ-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@@H](C)c2ccccc2)C1 ZINC000194029214 375949885 /nfs/dbraw/zinc/94/98/85/375949885.db2.gz IBHXBZCTPRWSIJ-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CN(Cc1cccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211932748 376133985 /nfs/dbraw/zinc/13/39/85/376133985.db2.gz VWNKHSFEFKWCAT-UHFFFAOYSA-N 1 3 272.417 3.026 20 0 CGADHO CCc1ccc(C[N@H+](C)CC2CCN(C)CC2)s1 ZINC000537637029 376189175 /nfs/dbraw/zinc/18/91/75/376189175.db2.gz IDMUNNSCXMMXPA-UHFFFAOYSA-N 1 3 266.454 3.084 20 0 CGADHO CCc1ccc(C[N@@H+](C)CC2CCN(C)CC2)s1 ZINC000537637029 376189181 /nfs/dbraw/zinc/18/91/81/376189181.db2.gz IDMUNNSCXMMXPA-UHFFFAOYSA-N 1 3 266.454 3.084 20 0 CGADHO CN(CCCCC1CCOCC1)CCC[NH+]1CCCC1 ZINC000337281685 376189277 /nfs/dbraw/zinc/18/92/77/376189277.db2.gz WNLIMXGKFMMYPU-UHFFFAOYSA-N 1 3 282.472 3.001 20 0 CGADHO C[N@H+](CCCN1CCCC1)CCSCc1ccccc1 ZINC000337242034 376159014 /nfs/dbraw/zinc/15/90/14/376159014.db2.gz GYPVEZSDCKQMDJ-UHFFFAOYSA-N 1 3 292.492 3.338 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CCSCc1ccccc1 ZINC000337242034 376159020 /nfs/dbraw/zinc/15/90/20/376159020.db2.gz GYPVEZSDCKQMDJ-UHFFFAOYSA-N 1 3 292.492 3.338 20 0 CGADHO Cc1cc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc(C)c1F ZINC000537304702 376160927 /nfs/dbraw/zinc/16/09/27/376160927.db2.gz SUNYLEXGPRMPQL-AWEZNQCLSA-N 1 3 276.399 3.355 20 0 CGADHO Cc1cc([C@H]([NH2+]CC2=CCN(C)CC2)C2CC2)ccc1F ZINC000537305407 376162398 /nfs/dbraw/zinc/16/23/98/376162398.db2.gz RURIYMMHPKUBEF-GOSISDBHSA-N 1 3 288.410 3.437 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc3ccccc23)[C@H](C)C1 ZINC000537615476 376181766 /nfs/dbraw/zinc/18/17/66/376181766.db2.gz VOUDYIBEAUZBPL-DNVCBOLYSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccnc3ccccc23)[C@H](C)C1 ZINC000537615476 376181769 /nfs/dbraw/zinc/18/17/69/376181769.db2.gz VOUDYIBEAUZBPL-DNVCBOLYSA-N 1 3 297.446 3.397 20 0 CGADHO FC(F)O[C@H]1CCCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000337389504 376217132 /nfs/dbraw/zinc/21/71/32/376217132.db2.gz GVEICRPMAOUIHH-KGLIPLIRSA-N 1 3 290.398 3.002 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H](C)Cc2ccsc2)CC1 ZINC000221941805 376226043 /nfs/dbraw/zinc/22/60/43/376226043.db2.gz DAYUEMFRCVHQGR-AWEZNQCLSA-N 1 3 280.481 3.389 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226325977 376351870 /nfs/dbraw/zinc/35/18/70/376351870.db2.gz JXYJWVRPGMRXJU-NEPJUHHUSA-N 1 3 268.351 3.087 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000540178780 376362734 /nfs/dbraw/zinc/36/27/34/376362734.db2.gz NQVWGORUHZCVSV-NVXWUHKLSA-N 1 3 290.451 3.119 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000540178780 376362742 /nfs/dbraw/zinc/36/27/42/376362742.db2.gz NQVWGORUHZCVSV-NVXWUHKLSA-N 1 3 290.451 3.119 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000540505197 376377376 /nfs/dbraw/zinc/37/73/76/376377376.db2.gz VPJLSWOEXRKUDY-GOEBONIOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000540505197 376377383 /nfs/dbraw/zinc/37/73/83/376377383.db2.gz VPJLSWOEXRKUDY-GOEBONIOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000540505197 376377388 /nfs/dbraw/zinc/37/73/88/376377388.db2.gz VPJLSWOEXRKUDY-GOEBONIOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@H](C)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505197 376377396 /nfs/dbraw/zinc/37/73/96/376377396.db2.gz VPJLSWOEXRKUDY-GOEBONIOSA-N 1 3 252.446 3.086 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000227375895 376393951 /nfs/dbraw/zinc/39/39/51/376393951.db2.gz IXMXRHXKECTNLE-HOTGVXAUSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000227375895 376393957 /nfs/dbraw/zinc/39/39/57/376393957.db2.gz IXMXRHXKECTNLE-HOTGVXAUSA-N 1 3 260.425 3.184 20 0 CGADHO COc1ccccc1CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000230287915 376500642 /nfs/dbraw/zinc/50/06/42/376500642.db2.gz RCTAZLUSWNOPTB-DOTOQJQBSA-N 1 3 290.451 3.138 20 0 CGADHO CCOc1ccc(CN(C[C@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000233790298 376602265 /nfs/dbraw/zinc/60/22/65/376602265.db2.gz ZUQMGGDFWUZSLA-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO CCOc1ccc(C[N@H+](C[C@H]2CCCNC2)C(C)C)cc1 ZINC000233790298 376602274 /nfs/dbraw/zinc/60/22/74/376602274.db2.gz ZUQMGGDFWUZSLA-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO CCOc1ccc(C[N@@H+](C[C@H]2CCCNC2)C(C)C)cc1 ZINC000233790298 376602286 /nfs/dbraw/zinc/60/22/86/376602286.db2.gz ZUQMGGDFWUZSLA-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC000334317329 206359063 /nfs/dbraw/zinc/35/90/63/206359063.db2.gz UTHXFBQFJGLFSN-VXGBXAGGSA-N 1 3 260.406 3.070 20 0 CGADHO Cc1cccc(C)c1[C@@H](C)NCC[C@@H]1CCC[N@@H+]1C ZINC000545518355 376827727 /nfs/dbraw/zinc/82/77/27/376827727.db2.gz IVJSQIBKARHDQC-CVEARBPZSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@@H](C)NCC[C@@H]1CCC[N@H+]1C ZINC000545518355 376827732 /nfs/dbraw/zinc/82/77/32/376827732.db2.gz IVJSQIBKARHDQC-CVEARBPZSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000545518355 376827734 /nfs/dbraw/zinc/82/77/34/376827734.db2.gz IVJSQIBKARHDQC-CVEARBPZSA-N 1 3 260.425 3.438 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905783 542145930 /nfs/dbraw/zinc/14/59/30/542145930.db2.gz QZMCTNBWGRFUAL-CXAGYDPISA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905783 542145933 /nfs/dbraw/zinc/14/59/33/542145933.db2.gz QZMCTNBWGRFUAL-CXAGYDPISA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905783 542145936 /nfs/dbraw/zinc/14/59/36/542145936.db2.gz QZMCTNBWGRFUAL-CXAGYDPISA-N 1 3 292.854 3.127 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000556864168 376892793 /nfs/dbraw/zinc/89/27/93/376892793.db2.gz BMPMXVDYPHREHD-ILOCAZANSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000556864168 376892799 /nfs/dbraw/zinc/89/27/99/376892799.db2.gz BMPMXVDYPHREHD-ILOCAZANSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000556864168 376892806 /nfs/dbraw/zinc/89/28/06/376892806.db2.gz BMPMXVDYPHREHD-ILOCAZANSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ccccc1OCCC[N@@H+](C)CC[C@H]1CCCN1C ZINC000340369588 377023553 /nfs/dbraw/zinc/02/35/53/377023553.db2.gz FGNDRJRAAOUIAB-QGZVFWFLSA-N 1 3 290.451 3.180 20 0 CGADHO Cc1ccccc1OCCC[N@H+](C)CC[C@H]1CCCN1C ZINC000340369588 377023560 /nfs/dbraw/zinc/02/35/60/377023560.db2.gz FGNDRJRAAOUIAB-QGZVFWFLSA-N 1 3 290.451 3.180 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246946546 377125237 /nfs/dbraw/zinc/12/52/37/377125237.db2.gz QYONCABRSFKXIL-YOEHRIQHSA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246946546 377125246 /nfs/dbraw/zinc/12/52/46/377125246.db2.gz QYONCABRSFKXIL-YOEHRIQHSA-N 1 3 260.425 3.164 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CC(C)(C)Cc3occc32)C1 ZINC000247018363 377139506 /nfs/dbraw/zinc/13/95/06/377139506.db2.gz LREBMKPSJJHVJK-HIFRSBDPSA-N 1 3 276.424 3.225 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCCCC1 ZINC000248497348 377329762 /nfs/dbraw/zinc/32/97/62/377329762.db2.gz RFWPIWDINXBDAK-YYIAUSFCSA-N 1 3 294.483 3.044 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000341197264 377442028 /nfs/dbraw/zinc/44/20/28/377442028.db2.gz UITWIGBNTQYKPH-UHFFFAOYSA-N 1 3 299.418 3.115 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000248860531 377415175 /nfs/dbraw/zinc/41/51/75/377415175.db2.gz MDBJXOAXSAVUEY-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424231 377461014 /nfs/dbraw/zinc/46/10/14/377461014.db2.gz LCFVMYVUIMGAQC-DDWPSWQVSA-N 1 3 280.362 3.070 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424231 377461020 /nfs/dbraw/zinc/46/10/20/377461020.db2.gz LCFVMYVUIMGAQC-DDWPSWQVSA-N 1 3 280.362 3.070 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424232 377461595 /nfs/dbraw/zinc/46/15/95/377461595.db2.gz LCFVMYVUIMGAQC-KSYCFECVSA-N 1 3 280.362 3.070 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424232 377461598 /nfs/dbraw/zinc/46/15/98/377461598.db2.gz LCFVMYVUIMGAQC-KSYCFECVSA-N 1 3 280.362 3.070 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000563443560 377467928 /nfs/dbraw/zinc/46/79/28/377467928.db2.gz URRJPVVGXBKFDO-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000265107693 190158092 /nfs/dbraw/zinc/15/80/92/190158092.db2.gz BIDOTUXKODPGQP-KRWDZBQOSA-N 1 3 282.431 3.266 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000265107693 190158093 /nfs/dbraw/zinc/15/80/93/190158093.db2.gz BIDOTUXKODPGQP-KRWDZBQOSA-N 1 3 282.431 3.266 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000265107693 190158094 /nfs/dbraw/zinc/15/80/94/190158094.db2.gz BIDOTUXKODPGQP-KRWDZBQOSA-N 1 3 282.431 3.266 20 0 CGADHO Cc1cccc(C2(CN[C@@H]3CCC[C@H]3[NH3+])CCCC2)c1 ZINC000422909175 249127088 /nfs/dbraw/zinc/12/70/88/249127088.db2.gz NNZDMAGZOIDORN-IAGOWNOFSA-N 1 3 272.436 3.276 20 0 CGADHO CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000250602152 377562736 /nfs/dbraw/zinc/56/27/36/377562736.db2.gz SONWDVKUODEXSM-BZUAXINKSA-N 1 3 252.446 3.323 20 0 CGADHO CCSCC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000482136416 249171184 /nfs/dbraw/zinc/17/11/84/249171184.db2.gz PUPJZZQHXIDAAG-LSDHHAIUSA-N 1 3 272.502 3.230 20 0 CGADHO CCSCCN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482136416 249171186 /nfs/dbraw/zinc/17/11/86/249171186.db2.gz PUPJZZQHXIDAAG-LSDHHAIUSA-N 1 3 272.502 3.230 20 0 CGADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000251137895 377574185 /nfs/dbraw/zinc/57/41/85/377574185.db2.gz INAJIJHBFYJATO-ILXRZTDVSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251330938 377580262 /nfs/dbraw/zinc/58/02/62/377580262.db2.gz OGNWEZLRTROZDT-QZWWFDLISA-N 1 3 264.457 3.418 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CC[C@H]1C1CC1 ZINC000573858393 377584851 /nfs/dbraw/zinc/58/48/51/377584851.db2.gz WANXIVUCPGEDQP-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000573858393 377584867 /nfs/dbraw/zinc/58/48/67/377584867.db2.gz WANXIVUCPGEDQP-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)CN1CCCC1 ZINC000252214874 377618538 /nfs/dbraw/zinc/61/85/38/377618538.db2.gz XJLOKIZKDIPDDS-CAOSSQGBSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCC1CC[NH+](CCC(C)C)CC1 ZINC000180727688 542214697 /nfs/dbraw/zinc/21/46/97/542214697.db2.gz FVCZNSXDLYVBRV-AWEZNQCLSA-N 1 3 292.471 3.127 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696409 377652362 /nfs/dbraw/zinc/65/23/62/377652362.db2.gz AATZSIBHEJZWPU-IJLUTSLNSA-N 1 3 284.350 3.018 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@H](N)C2)c(C)c1 ZINC000574412868 377658720 /nfs/dbraw/zinc/65/87/20/377658720.db2.gz BXTXCRUJPBMQCP-JKSUJKDBSA-N 1 3 260.425 3.014 20 0 CGADHO Cc1cc(C)c(CCN[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000574412868 377658730 /nfs/dbraw/zinc/65/87/30/377658730.db2.gz BXTXCRUJPBMQCP-JKSUJKDBSA-N 1 3 260.425 3.014 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCS2)c2ccccc21 ZINC000252779786 377665046 /nfs/dbraw/zinc/66/50/46/377665046.db2.gz LZEAQWIHYRQESP-DFBGVHRSSA-N 1 3 262.422 3.007 20 0 CGADHO CCC1CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000342729296 377760733 /nfs/dbraw/zinc/76/07/33/377760733.db2.gz JABMZHRFSHFZID-UHFFFAOYSA-N 1 3 273.424 3.076 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000258996916 377802172 /nfs/dbraw/zinc/80/21/72/377802172.db2.gz MVZDNJSCAPWNTH-KBPBESRZSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261571959 377817700 /nfs/dbraw/zinc/81/77/00/377817700.db2.gz SKHGYSVYSZMFPO-HZSPNIEDSA-N 1 3 264.388 3.207 20 0 CGADHO CC(C)SCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261591674 377823530 /nfs/dbraw/zinc/82/35/30/377823530.db2.gz XZJJZYMYJPPCPC-QLFBSQMISA-N 1 3 270.486 3.028 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)CN2C[C@@H]2CCC[NH2+]C2)c1 ZINC000262028024 377879939 /nfs/dbraw/zinc/87/99/39/377879939.db2.gz WURSENOWTXAZIU-DAYGRLMNSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@@H]2CCCNC2)c1 ZINC000262028024 377879944 /nfs/dbraw/zinc/87/99/44/377879944.db2.gz WURSENOWTXAZIU-DAYGRLMNSA-N 1 3 288.435 3.078 20 0 CGADHO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H]2CCCNC2)c1 ZINC000262028024 377879947 /nfs/dbraw/zinc/87/99/47/377879947.db2.gz WURSENOWTXAZIU-DAYGRLMNSA-N 1 3 288.435 3.078 20 0 CGADHO NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1c1ccccc1 ZINC000261706642 377841887 /nfs/dbraw/zinc/84/18/87/377841887.db2.gz KDJXFUMPYQHASN-MSOLQXFVSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1c1ccccc1 ZINC000261706642 377841902 /nfs/dbraw/zinc/84/19/02/377841902.db2.gz KDJXFUMPYQHASN-MSOLQXFVSA-N 1 3 272.436 3.241 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCc1cccc2ccccc21 ZINC000261736685 377847863 /nfs/dbraw/zinc/84/78/63/377847863.db2.gz LOZCIEUWBKPWAX-KRWDZBQOSA-N 1 3 268.404 3.318 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000261736685 377847870 /nfs/dbraw/zinc/84/78/70/377847870.db2.gz LOZCIEUWBKPWAX-KRWDZBQOSA-N 1 3 268.404 3.318 20 0 CGADHO C[C@]1(C[NH3+])CCN(Cc2cc3ccccc3s2)C1 ZINC000261822603 377856575 /nfs/dbraw/zinc/85/65/75/377856575.db2.gz PLAGGRPXWIOBNQ-OAHLLOKOSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@]1(CN)CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000261822603 377856585 /nfs/dbraw/zinc/85/65/85/377856585.db2.gz PLAGGRPXWIOBNQ-OAHLLOKOSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@]1(CN)CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000261822603 377856593 /nfs/dbraw/zinc/85/65/93/377856593.db2.gz PLAGGRPXWIOBNQ-OAHLLOKOSA-N 1 3 260.406 3.072 20 0 CGADHO CN(Cc1cccc2cnccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000183092718 542229131 /nfs/dbraw/zinc/22/91/31/542229131.db2.gz TXMXWWLDJPUJHZ-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CN(Cc1cccc2cnccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183092718 542229134 /nfs/dbraw/zinc/22/91/34/542229134.db2.gz TXMXWWLDJPUJHZ-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC000268849363 378130872 /nfs/dbraw/zinc/13/08/72/378130872.db2.gz PMAYDWQDAUHSEV-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H](C)C1 ZINC000359327859 284686601 /nfs/dbraw/zinc/68/66/01/284686601.db2.gz XVCIMWILFXVYOO-QZWWFDLISA-N 1 3 282.472 3.044 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000578738330 378097090 /nfs/dbraw/zinc/09/70/90/378097090.db2.gz HQSXMMCXAFQZHA-DLBZAZTESA-N 1 3 260.425 3.302 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000578738330 378097093 /nfs/dbraw/zinc/09/70/93/378097093.db2.gz HQSXMMCXAFQZHA-DLBZAZTESA-N 1 3 260.425 3.302 20 0 CGADHO C[NH2+]C[C@H]1CCN(C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837625 378200232 /nfs/dbraw/zinc/20/02/32/378200232.db2.gz KGXXSGKBXNINCN-SJLPKXTDSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@H]1CC[N@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837625 378200239 /nfs/dbraw/zinc/20/02/39/378200239.db2.gz KGXXSGKBXNINCN-SJLPKXTDSA-N 1 3 274.452 3.358 20 0 CGADHO CNC[C@H]1CC[N@@H+](C[C@@H](CC(C)C)c2ccccc2)C1 ZINC000579837625 378200244 /nfs/dbraw/zinc/20/02/44/378200244.db2.gz KGXXSGKBXNINCN-SJLPKXTDSA-N 1 3 274.452 3.358 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](N)C[C@@H]1C ZINC000579488878 378165542 /nfs/dbraw/zinc/16/55/42/378165542.db2.gz YVUWTNAQDCVSFG-HLLBOEOZSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H](N)C[C@@H]1C ZINC000579488878 378165545 /nfs/dbraw/zinc/16/55/45/378165545.db2.gz YVUWTNAQDCVSFG-HLLBOEOZSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](CCc1ccccc1)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000579488878 378165549 /nfs/dbraw/zinc/16/55/49/378165549.db2.gz YVUWTNAQDCVSFG-HLLBOEOZSA-N 1 3 260.425 3.067 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCCCC[NH+](C)C ZINC000269001193 378171004 /nfs/dbraw/zinc/17/10/04/378171004.db2.gz LPDYLKAXEXAOSC-LBPRGKRZSA-N 1 3 284.831 3.341 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000269035021 378178244 /nfs/dbraw/zinc/17/82/44/378178244.db2.gz FKRWTXDXCBDSQX-ZQIUZPCESA-N 1 3 288.435 3.145 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC(C)C1 ZINC000467745434 284690410 /nfs/dbraw/zinc/69/04/10/284690410.db2.gz XPPYIULMKIZFLH-BHDPWAOGSA-N 1 3 252.446 3.275 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000270414487 378348809 /nfs/dbraw/zinc/34/88/09/378348809.db2.gz FCKJJTYUMXJZTG-QGZVFWFLSA-N 1 3 288.435 3.056 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(c2ccc(O)cc2)CC1 ZINC000270414487 378348815 /nfs/dbraw/zinc/34/88/15/378348815.db2.gz FCKJJTYUMXJZTG-QGZVFWFLSA-N 1 3 288.435 3.056 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccc(O)cc2)CC1 ZINC000270414487 378348823 /nfs/dbraw/zinc/34/88/23/378348823.db2.gz FCKJJTYUMXJZTG-QGZVFWFLSA-N 1 3 288.435 3.056 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1=CCN(C)CC1 ZINC000271891541 378511799 /nfs/dbraw/zinc/51/17/99/378511799.db2.gz SARVJMYPBSTUSC-PBHICJAKSA-N 1 3 270.420 3.395 20 0 CGADHO Cc1cccc(CC[C@@H](C)NCCC[NH2+]C(C)C)c1 ZINC000566088251 322103767 /nfs/dbraw/zinc/10/37/67/322103767.db2.gz DJSSCSVZRXQCKP-MRXNPFEDSA-N 1 3 262.441 3.294 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]CCCNC(C)C)c1 ZINC000566088251 322103770 /nfs/dbraw/zinc/10/37/70/322103770.db2.gz DJSSCSVZRXQCKP-MRXNPFEDSA-N 1 3 262.441 3.294 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346570724 378626690 /nfs/dbraw/zinc/62/66/90/378626690.db2.gz WLPHHFPNWLBJFG-LTIDMASMSA-N 1 3 282.472 3.044 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H]1CCCO1 ZINC000346570724 378626694 /nfs/dbraw/zinc/62/66/94/378626694.db2.gz WLPHHFPNWLBJFG-LTIDMASMSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccccc1C[N@@H+](CC[C@H]1CCCN1C)C1CC1 ZINC000348070509 378776458 /nfs/dbraw/zinc/77/64/58/378776458.db2.gz JGGKSQVIPXGWFC-QGZVFWFLSA-N 1 3 272.436 3.444 20 0 CGADHO Cc1ccccc1C[N@H+](CC[C@H]1CCCN1C)C1CC1 ZINC000348070509 378776461 /nfs/dbraw/zinc/77/64/61/378776461.db2.gz JGGKSQVIPXGWFC-QGZVFWFLSA-N 1 3 272.436 3.444 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc4ccccc4s3)C[C@H]21 ZINC000346838319 218029831 /nfs/dbraw/zinc/02/98/31/218029831.db2.gz WXUXOUYLEZDLQT-NUEKZKHPSA-N 1 3 286.444 3.461 20 0 CGADHO Cc1cc(CNCC2CC[NH+](CCC(C)C)CC2)sn1 ZINC000638720536 378887680 /nfs/dbraw/zinc/88/76/80/378887680.db2.gz GBCPPSZDXBIFLL-UHFFFAOYSA-N 1 3 295.496 3.299 20 0 CGADHO Fc1c(Cl)cccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278541118 194033493 /nfs/dbraw/zinc/03/34/93/194033493.db2.gz XJEIUXWVSSBQMJ-UHFFFAOYSA-N 1 3 296.817 3.443 20 0 CGADHO c1ccc(C2(NC[C@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000346985605 218079869 /nfs/dbraw/zinc/07/98/69/218079869.db2.gz PNBMDHPZMCUKGL-HNNXBMFYSA-N 1 3 258.409 3.045 20 0 CGADHO c1ccc(C2([NH2+]C[C@H]3CCCNC3)CCCC2)cc1 ZINC000346985605 218079871 /nfs/dbraw/zinc/07/98/71/218079871.db2.gz PNBMDHPZMCUKGL-HNNXBMFYSA-N 1 3 258.409 3.045 20 0 CGADHO CC1CCC([N@H+](C[C@H]2CCCO2)C[C@@H]2CCCNC2)CC1 ZINC000347001753 218086231 /nfs/dbraw/zinc/08/62/31/218086231.db2.gz HSNZXVYCSUDGQZ-GPQLOAJWSA-N 1 3 294.483 3.046 20 0 CGADHO CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCNC2)CC1 ZINC000347001753 218086234 /nfs/dbraw/zinc/08/62/34/218086234.db2.gz HSNZXVYCSUDGQZ-GPQLOAJWSA-N 1 3 294.483 3.046 20 0 CGADHO CSc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275303965 378955674 /nfs/dbraw/zinc/95/56/74/378955674.db2.gz QOZKLYDOQVTRIM-CJNGLKHVSA-N 1 3 278.465 3.181 20 0 CGADHO CSc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275303965 378955679 /nfs/dbraw/zinc/95/56/79/378955679.db2.gz QOZKLYDOQVTRIM-CJNGLKHVSA-N 1 3 278.465 3.181 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111400 218125236 /nfs/dbraw/zinc/12/52/36/218125236.db2.gz QDOISWDHDLMHFB-HNAYVOBHSA-N 1 3 295.430 3.450 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000347111400 218125238 /nfs/dbraw/zinc/12/52/38/218125238.db2.gz QDOISWDHDLMHFB-HNAYVOBHSA-N 1 3 295.430 3.450 20 0 CGADHO Cn1c(CN2CCCC23CC[NH+](C)CC3)cc2ccccc21 ZINC000639082482 379006563 /nfs/dbraw/zinc/00/65/63/379006563.db2.gz SIVFIOAQZODBRV-UHFFFAOYSA-N 1 3 297.446 3.239 20 0 CGADHO Cn1c(C[N@@H+]2CCCC23CCN(C)CC3)cc2ccccc21 ZINC000639082482 379006569 /nfs/dbraw/zinc/00/65/69/379006569.db2.gz SIVFIOAQZODBRV-UHFFFAOYSA-N 1 3 297.446 3.239 20 0 CGADHO Cn1c(C[N@H+]2CCCC23CCN(C)CC3)cc2ccccc21 ZINC000639082482 379006574 /nfs/dbraw/zinc/00/65/74/379006574.db2.gz SIVFIOAQZODBRV-UHFFFAOYSA-N 1 3 297.446 3.239 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000347153184 218138379 /nfs/dbraw/zinc/13/83/79/218138379.db2.gz BVDGCVBSFJBJNL-UHFFFAOYSA-N 1 3 290.382 3.393 20 0 CGADHO Cc1cc(C)c(/C=C\C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1C ZINC000639113212 379035724 /nfs/dbraw/zinc/03/57/24/379035724.db2.gz KYYNLNOPNMBGQJ-WOQGQJNTSA-N 1 3 284.447 3.118 20 0 CGADHO Cc1cc(C)c(/C=C\C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1C ZINC000639113212 379035729 /nfs/dbraw/zinc/03/57/29/379035729.db2.gz KYYNLNOPNMBGQJ-WOQGQJNTSA-N 1 3 284.447 3.118 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000639170055 379089139 /nfs/dbraw/zinc/08/91/39/379089139.db2.gz OYJONTJBVHQPNH-MRXNPFEDSA-N 1 3 290.451 3.164 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000639170055 379089150 /nfs/dbraw/zinc/08/91/50/379089150.db2.gz OYJONTJBVHQPNH-MRXNPFEDSA-N 1 3 290.451 3.164 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000639170055 379089160 /nfs/dbraw/zinc/08/91/60/379089160.db2.gz OYJONTJBVHQPNH-MRXNPFEDSA-N 1 3 290.451 3.164 20 0 CGADHO C[NH+](C)[C@H]1CCCN(c2ccnc3ccccc32)CC1 ZINC000277135295 379078422 /nfs/dbraw/zinc/07/84/22/379078422.db2.gz JNBVAFRWMIJTLV-AWEZNQCLSA-N 1 3 269.392 3.155 20 0 CGADHO C[NH+]1CCC(NCc2ccc(C3CCC3)cc2)CC1 ZINC000277187253 379093530 /nfs/dbraw/zinc/09/35/30/379093530.db2.gz IJHPGYXMDMKVAU-UHFFFAOYSA-N 1 3 258.409 3.138 20 0 CGADHO CC(C)C1(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000639337390 379291644 /nfs/dbraw/zinc/29/16/44/379291644.db2.gz MMUYFARCUJFCQG-MRXNPFEDSA-N 1 3 264.457 3.134 20 0 CGADHO CCN(CCC[NH+]1CCCC1)Cc1cccc2[nH]ccc21 ZINC000349371897 379256399 /nfs/dbraw/zinc/25/63/99/379256399.db2.gz UJZYJOLJOXJFIN-UHFFFAOYSA-N 1 3 285.435 3.476 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1cc(C)c(O)c(C)c1 ZINC000349407597 379271411 /nfs/dbraw/zinc/27/14/11/379271411.db2.gz OOFNZFRKYJQXIR-UHFFFAOYSA-N 1 3 290.451 3.317 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1cc(C)c(O)c(C)c1 ZINC000349407597 379271415 /nfs/dbraw/zinc/27/14/15/379271415.db2.gz OOFNZFRKYJQXIR-UHFFFAOYSA-N 1 3 290.451 3.317 20 0 CGADHO CC(C)O[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373520505 379293542 /nfs/dbraw/zinc/29/35/42/379293542.db2.gz INOSLDFFEZYSFZ-BHUNQDJPSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@]1(CN2CCC(C)([NH+]3CCCC3)CC2)CCCS1 ZINC000639375055 379331561 /nfs/dbraw/zinc/33/15/61/379331561.db2.gz PVQHGMTXIRWPFH-INIZCTEOSA-N 1 3 282.497 3.222 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2(C(C)C)CC2)CC1 ZINC000639378459 379338466 /nfs/dbraw/zinc/33/84/66/379338466.db2.gz QWARNPHVWJTQTR-UHFFFAOYSA-N 1 3 252.446 3.229 20 0 CGADHO CCC1(N(C)C)CC[NH+](CC2(C(C)C)CC2)CC1 ZINC000639378459 379338472 /nfs/dbraw/zinc/33/84/72/379338472.db2.gz QWARNPHVWJTQTR-UHFFFAOYSA-N 1 3 252.446 3.229 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1cc(C)sc1C ZINC000349670813 379338861 /nfs/dbraw/zinc/33/88/61/379338861.db2.gz WCDWWIDKJZKQIE-CQSZACIVSA-N 1 3 298.496 3.374 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccccc2OC)CC1 ZINC000350176812 379526203 /nfs/dbraw/zinc/52/62/03/379526203.db2.gz OISGPYHVVHQYQQ-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO C(=C\c1ccccc1)\CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681712 379544891 /nfs/dbraw/zinc/54/48/91/379544891.db2.gz CFTIWTQFNDPTMQ-YWEYNIOJSA-N 1 3 293.414 3.307 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccn1C ZINC000267208556 190312193 /nfs/dbraw/zinc/31/21/93/190312193.db2.gz BFUDLRNPCVTBCJ-QFBILLFUSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccn1C ZINC000267208556 190312194 /nfs/dbraw/zinc/31/21/94/190312194.db2.gz BFUDLRNPCVTBCJ-QFBILLFUSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CN1CCCC1 ZINC000280765161 379784589 /nfs/dbraw/zinc/78/45/89/379784589.db2.gz FTLSAVFVOPEIEV-QAPCUYQASA-N 1 3 287.451 3.244 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000392272156 379911409 /nfs/dbraw/zinc/91/14/09/379911409.db2.gz VLBUYJCMXTZNNG-ZBKGVPMPSA-N 1 3 288.479 3.443 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000392245494 379911626 /nfs/dbraw/zinc/91/16/26/379911626.db2.gz PORQPMIWIPQOGI-HNNXBMFYSA-N 1 3 284.447 3.478 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C[C@]1(C)CCCS1 ZINC000392864074 379913045 /nfs/dbraw/zinc/91/30/45/379913045.db2.gz GAZFPAQHUJZESF-GJZGRUSLSA-N 1 3 270.486 3.126 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000388699426 379890302 /nfs/dbraw/zinc/89/03/02/379890302.db2.gz MTWGCVSATWBYFI-WMLDXEAASA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H](F)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821294 379980851 /nfs/dbraw/zinc/98/08/51/379980851.db2.gz ANPWQYDESYJACZ-AEFFLSMTSA-N 1 3 290.426 3.333 20 0 CGADHO C[C@@H](F)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821294 379980856 /nfs/dbraw/zinc/98/08/56/379980856.db2.gz ANPWQYDESYJACZ-AEFFLSMTSA-N 1 3 290.426 3.333 20 0 CGADHO Cc1scc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000399919544 379947192 /nfs/dbraw/zinc/94/71/92/379947192.db2.gz YWPUEPLVLJIQET-GOOCMWNKSA-N 1 3 264.438 3.080 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc(F)ccc1F ZINC000401023227 379955091 /nfs/dbraw/zinc/95/50/91/379955091.db2.gz LZOOWYLFZPECPF-KZVDOYCCSA-N 1 3 280.362 3.004 20 0 CGADHO c1ccc(C2CC(C[NH2+][C@@H]3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000283391338 380060136 /nfs/dbraw/zinc/06/01/36/380060136.db2.gz PPNHZTSGBNJWHH-JDGDGYACSA-N 1 3 284.447 3.397 20 0 CGADHO CSc1ccc(CNC(C)(C)CCC[NH+](C)C)o1 ZINC000641758228 380081635 /nfs/dbraw/zinc/08/16/35/380081635.db2.gz KNQONYVBDBEJFP-UHFFFAOYSA-N 1 3 270.442 3.212 20 0 CGADHO CC(C)C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414189046 380199747 /nfs/dbraw/zinc/19/97/47/380199747.db2.gz QXQSNXZAQCJIJI-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414189046 380199751 /nfs/dbraw/zinc/19/97/51/380199751.db2.gz QXQSNXZAQCJIJI-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C[C@H]1CCCCN1 ZINC000643502702 380326494 /nfs/dbraw/zinc/32/64/94/380326494.db2.gz OKUIGUFVCGHEJP-DYVFJYSZSA-N 1 3 283.419 3.277 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@]1(C)CCCNC1 ZINC000643518438 380335243 /nfs/dbraw/zinc/33/52/43/380335243.db2.gz HOZATGWWETUGJK-DZGCQCFKSA-N 1 3 266.454 3.049 20 0 CGADHO Cc1ccc(CCC[NH2+][C@H]2CCCC[C@H]2CN)c(C)c1 ZINC000643457025 380308429 /nfs/dbraw/zinc/30/84/29/380308429.db2.gz CYCXBSXRODNNRP-ROUUACIJSA-N 1 3 274.452 3.343 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCNC1 ZINC000643459419 380312018 /nfs/dbraw/zinc/31/20/18/380312018.db2.gz CKWHNAPHCMQPPD-XDQVBPFNSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@@H]1C[C@H](CNC2(c3ccc(F)cc3F)CCC2)CC[NH2+]1 ZINC000414710692 380383418 /nfs/dbraw/zinc/38/34/18/380383418.db2.gz QGWSVBSPWCITPT-CHWSQXEVSA-N 1 3 294.389 3.322 20 0 CGADHO COc1ccc(C2CC[NH+](C[C@@H](N)CC(C)C)CC2)cc1 ZINC000414739211 380389068 /nfs/dbraw/zinc/38/90/68/380389068.db2.gz KCISEZOVYMZXGZ-KRWDZBQOSA-N 1 3 290.451 3.248 20 0 CGADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000643522489 380339362 /nfs/dbraw/zinc/33/93/62/380339362.db2.gz NXBQAYCLVJCVMW-WCQYABFASA-N 1 3 264.438 3.030 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000643524036 380341169 /nfs/dbraw/zinc/34/11/69/380341169.db2.gz AUXYUDVOQPNKPQ-LJIZCISZSA-N 1 3 252.446 3.307 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000643528527 380345037 /nfs/dbraw/zinc/34/50/37/380345037.db2.gz KQKRRNRHCPCUTG-UWVGGRQHSA-N 1 3 274.380 3.042 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000643528730 380345575 /nfs/dbraw/zinc/34/55/75/380345575.db2.gz NQBDNLMOFSSNQK-UWVGGRQHSA-N 1 3 292.370 3.339 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(SCC(F)F)cc1 ZINC000643528528 380345617 /nfs/dbraw/zinc/34/56/17/380345617.db2.gz KQKRRNRHCPCUTG-VHSXEESVSA-N 1 3 274.380 3.042 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)ccc1F ZINC000354168676 380353356 /nfs/dbraw/zinc/35/33/56/380353356.db2.gz ZUWGLAPKMZTXLA-KRWDZBQOSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)ccc1F ZINC000354168676 380353360 /nfs/dbraw/zinc/35/33/60/380353360.db2.gz ZUWGLAPKMZTXLA-KRWDZBQOSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C(F)(F)F ZINC000414664343 380358422 /nfs/dbraw/zinc/35/84/22/380358422.db2.gz SKFHUJOKYCWTJA-WCQYABFASA-N 1 3 286.341 3.183 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccnc1 ZINC000643547279 380361333 /nfs/dbraw/zinc/36/13/33/380361333.db2.gz CCBUYWUXKOAYAN-HOTGVXAUSA-N 1 3 273.424 3.043 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547407 380363194 /nfs/dbraw/zinc/36/31/94/380363194.db2.gz FAVWDIQTFLAUDV-MJBXVCDLSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)Oc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414813436 380424008 /nfs/dbraw/zinc/42/40/08/380424008.db2.gz YJDCFXBITAJPCA-DOTOQJQBSA-N 1 3 276.424 3.081 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414857177 380457276 /nfs/dbraw/zinc/45/72/76/380457276.db2.gz PBBBFCVJKHZSCC-JKSUJKDBSA-N 1 3 274.452 3.332 20 0 CGADHO CC(C)C[C@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000414822505 380431431 /nfs/dbraw/zinc/43/14/31/380431431.db2.gz AIZFZEZBTWXWCL-SJLPKXTDSA-N 1 3 274.452 3.406 20 0 CGADHO C[C@@H]([NH2+]CCCC1CCCCC1)[C@@H]1CCCNC1 ZINC000414821885 380431792 /nfs/dbraw/zinc/43/17/92/380431792.db2.gz MGFBLZFOSRSCRS-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](N)CC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000414826360 380435746 /nfs/dbraw/zinc/43/57/46/380435746.db2.gz VPSYSFKGCAQHOM-INIZCTEOSA-N 1 3 282.431 3.167 20 0 CGADHO C[C@H]([NH3+])CCNC(Cc1ccccc1)Cc1ccccc1 ZINC000414826360 380435750 /nfs/dbraw/zinc/43/57/50/380435750.db2.gz VPSYSFKGCAQHOM-INIZCTEOSA-N 1 3 282.431 3.167 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414825970 380436120 /nfs/dbraw/zinc/43/61/20/380436120.db2.gz UWRBGQOVNSOVIZ-NFAWXSAZSA-N 1 3 280.843 3.249 20 0 CGADHO CC[C@@H](Cc1ccccc1)NCC1([NH3+])CCCCC1 ZINC000414835650 380444111 /nfs/dbraw/zinc/44/41/11/380444111.db2.gz DRRAOSHFJUONJO-INIZCTEOSA-N 1 3 260.425 3.259 20 0 CGADHO C[C@@H](CCNCC1([NH3+])CCCCC1)c1ccccc1 ZINC000414837944 380446016 /nfs/dbraw/zinc/44/60/16/380446016.db2.gz HOMDLWDZYODUSW-HNNXBMFYSA-N 1 3 260.425 3.431 20 0 CGADHO C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H]1CCCNC1 ZINC000414846945 380451737 /nfs/dbraw/zinc/45/17/37/380451737.db2.gz FMRSOYKSPVOJAY-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)[C@@H](N)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414798335 380412992 /nfs/dbraw/zinc/41/29/92/380412992.db2.gz QEQKNYWLQDQBGZ-INIZCTEOSA-N 1 3 274.433 3.488 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414800930 380414914 /nfs/dbraw/zinc/41/49/14/380414914.db2.gz LPBITKJQXRDSSK-XJKSGUPXSA-N 1 3 272.392 3.348 20 0 CGADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1SC ZINC000414811071 380422171 /nfs/dbraw/zinc/42/21/71/380422171.db2.gz WARNROIMSKFFQJ-ZIAGYGMSSA-N 1 3 294.464 3.024 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000414914578 380487683 /nfs/dbraw/zinc/48/76/83/380487683.db2.gz KTAUYPSEHOIBMU-RDJZCZTQSA-N 1 3 274.452 3.475 20 0 CGADHO C[C@H]([NH3+])[C@H](C)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000415005356 380505167 /nfs/dbraw/zinc/50/51/67/380505167.db2.gz APPKXVWVYRSIEB-VWYCJHECSA-N 1 3 274.330 3.134 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000415111469 380509530 /nfs/dbraw/zinc/50/95/30/380509530.db2.gz QXJJUTZNCZNINB-SYAUCNOPSA-N 1 3 250.430 3.075 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414860160 380461737 /nfs/dbraw/zinc/46/17/37/380461737.db2.gz OLGHCKLHKQBTFM-MSOLQXFVSA-N 1 3 290.451 3.309 20 0 CGADHO C[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414860160 380461741 /nfs/dbraw/zinc/46/17/41/380461741.db2.gz OLGHCKLHKQBTFM-MSOLQXFVSA-N 1 3 290.451 3.309 20 0 CGADHO Cc1ccc(CCCNCCC[NH+](C(C)C)C(C)C)cn1 ZINC000354507662 380463738 /nfs/dbraw/zinc/46/37/38/380463738.db2.gz IXJVAIGZLFGXGF-UHFFFAOYSA-N 1 3 291.483 3.421 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](C)CN ZINC000414880428 380472469 /nfs/dbraw/zinc/47/24/69/380472469.db2.gz QRATVVNWMIKMKI-XJKSGUPXSA-N 1 3 282.859 3.482 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000414898253 380479652 /nfs/dbraw/zinc/47/96/52/380479652.db2.gz BAFZMEKXOCMNBZ-FUHWJXTLSA-N 1 3 274.452 3.295 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000355040621 380569141 /nfs/dbraw/zinc/56/91/41/380569141.db2.gz PUOTXDSHJKLVQU-ZWKOTPCHSA-N 1 3 284.447 3.350 20 0 CGADHO CN1CCC2(CCC[N@H+]2C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000355040621 380569144 /nfs/dbraw/zinc/56/91/44/380569144.db2.gz PUOTXDSHJKLVQU-ZWKOTPCHSA-N 1 3 284.447 3.350 20 0 CGADHO C[NH+]1CCC(C)(CNCc2cnc(C3CCC3)s2)CC1 ZINC000355772863 380772743 /nfs/dbraw/zinc/77/27/43/380772743.db2.gz ZVEIMLUWUQZXOJ-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420288493 380845251 /nfs/dbraw/zinc/84/52/51/380845251.db2.gz IYBORDFEYURFCZ-DXCKQFNASA-N 1 3 276.399 3.262 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C1CCCCC1)[C@H]1CCCOC1 ZINC000356879435 380916516 /nfs/dbraw/zinc/91/65/16/380916516.db2.gz TVOTWHYWQSDQET-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H]1C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)CCO1 ZINC000356914980 380938163 /nfs/dbraw/zinc/93/81/63/380938163.db2.gz IDHGOCNWWXXXSS-WMZOPIPTSA-N 1 3 294.483 3.142 20 0 CGADHO CSCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000252963275 295594040 /nfs/dbraw/zinc/59/40/40/295594040.db2.gz WDJLDCFIEBZUBS-RRFJBIMHSA-N 1 3 270.486 3.030 20 0 CGADHO CC[C@@H]1CN(c2cc[nH+]cc2C)CCN1Cc1ccccc1 ZINC000359584223 381355500 /nfs/dbraw/zinc/35/55/00/381355500.db2.gz RDTGOVXBDCEADT-GOSISDBHSA-N 1 3 295.430 3.491 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000211937674 542284512 /nfs/dbraw/zinc/28/45/12/542284512.db2.gz ILQOMZZBJNKDDN-KRWDZBQOSA-N 1 3 258.409 3.097 20 0 CGADHO CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000211937674 542284515 /nfs/dbraw/zinc/28/45/15/542284515.db2.gz ILQOMZZBJNKDDN-KRWDZBQOSA-N 1 3 258.409 3.097 20 0 CGADHO CC(C)(CNCc1cccc2[nH]ccc21)C[NH+]1CCCC1 ZINC000360176388 381466378 /nfs/dbraw/zinc/46/63/78/381466378.db2.gz AIZWSVVQMLBHCQ-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO CC(C)(C[NH2+]Cc1cccc2[nH]ccc21)CN1CCCC1 ZINC000360176388 381466384 /nfs/dbraw/zinc/46/63/84/381466384.db2.gz AIZWSVVQMLBHCQ-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000233503973 542307486 /nfs/dbraw/zinc/30/74/86/542307486.db2.gz RDJIQSZXKGDBSE-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000364318186 382268738 /nfs/dbraw/zinc/26/87/38/382268738.db2.gz ZBFBZENPIBSRSZ-MWDXBVQZSA-N 1 3 262.441 3.195 20 0 CGADHO C[N@H+](CCCCF)[C@@H]1CCCN(CCCCF)CC1 ZINC000367225114 382339416 /nfs/dbraw/zinc/33/94/16/382339416.db2.gz RHIACEZDKKPJHK-OAHLLOKOSA-N 1 3 276.415 3.272 20 0 CGADHO C[N@@H+](CCCCF)[C@@H]1CCCN(CCCCF)CC1 ZINC000367225114 382339425 /nfs/dbraw/zinc/33/94/25/382339425.db2.gz RHIACEZDKKPJHK-OAHLLOKOSA-N 1 3 276.415 3.272 20 0 CGADHO C[C@H](CCN1C[C@@H]2CCC[C@@H]2C1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000245690098 542323073 /nfs/dbraw/zinc/32/30/73/542323073.db2.gz PANVXRJRUAQZSL-UYTYNIKBSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000245690098 542323078 /nfs/dbraw/zinc/32/30/78/542323078.db2.gz PANVXRJRUAQZSL-UYTYNIKBSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000245690098 542323082 /nfs/dbraw/zinc/32/30/82/542323082.db2.gz PANVXRJRUAQZSL-UYTYNIKBSA-N 1 3 276.468 3.229 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000249374729 542339630 /nfs/dbraw/zinc/33/96/30/542339630.db2.gz HUOZIXJNPNZSRC-DOMZBBRYSA-N 1 3 294.439 3.294 20 0 CGADHO CC[C@H]1CN(CCCOc2ccc(C)c(C)c2)CC[C@H]1[NH3+] ZINC000251890769 542348712 /nfs/dbraw/zinc/34/87/12/542348712.db2.gz VZGGZQGDTDQBRT-FUHWJXTLSA-N 1 3 290.451 3.132 20 0 CGADHO C[C@H](CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000252456023 542350375 /nfs/dbraw/zinc/35/03/75/542350375.db2.gz CYBVPJCNUUNSSJ-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO COc1ccccc1[C@@H]([NH2+]CC1(N)CCC1)C1CCCC1 ZINC000423334226 532980134 /nfs/dbraw/zinc/98/01/34/532980134.db2.gz SJBJHCVZHRRRJL-KRWDZBQOSA-N 1 3 288.435 3.398 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCNCC2(C)C)c2ccccc2n1 ZINC000335287553 208108908 /nfs/dbraw/zinc/10/89/08/208108908.db2.gz JAMBCQOECAWXQO-QGZVFWFLSA-N 1 3 283.419 3.021 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000289300037 197289267 /nfs/dbraw/zinc/28/92/67/197289267.db2.gz RYOQBIOMNFVGKM-JJRVBVJISA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000289300037 197289268 /nfs/dbraw/zinc/28/92/68/197289268.db2.gz RYOQBIOMNFVGKM-JJRVBVJISA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000289300037 197289269 /nfs/dbraw/zinc/28/92/69/197289269.db2.gz RYOQBIOMNFVGKM-JJRVBVJISA-N 1 3 258.409 3.166 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000350510712 219032029 /nfs/dbraw/zinc/03/20/29/219032029.db2.gz IOFYWDSWYFXVAQ-MSOLQXFVSA-N 1 3 272.436 3.069 20 0 CGADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000350510712 219032031 /nfs/dbraw/zinc/03/20/31/219032031.db2.gz IOFYWDSWYFXVAQ-MSOLQXFVSA-N 1 3 272.436 3.069 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000337378021 285145788 /nfs/dbraw/zinc/14/57/88/285145788.db2.gz BSHMYFYGRYKYQI-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO COc1ccc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000414189100 533168217 /nfs/dbraw/zinc/16/82/17/533168217.db2.gz RAGHRNAACSLJIT-KBPBESRZSA-N 1 3 294.414 3.217 20 0 CGADHO COc1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189100 533168225 /nfs/dbraw/zinc/16/82/25/533168225.db2.gz RAGHRNAACSLJIT-KBPBESRZSA-N 1 3 294.414 3.217 20 0 CGADHO C[C@@H](CCN1CCC[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348278083 542518179 /nfs/dbraw/zinc/51/81/79/542518179.db2.gz SXAFPFYSQJGINT-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CCN1CCC[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348278083 542518183 /nfs/dbraw/zinc/51/81/83/542518183.db2.gz SXAFPFYSQJGINT-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000348278083 542518187 /nfs/dbraw/zinc/51/81/87/542518187.db2.gz SXAFPFYSQJGINT-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H](CC[N@H+]1CCC[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000348278083 542518191 /nfs/dbraw/zinc/51/81/91/542518191.db2.gz SXAFPFYSQJGINT-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@H]1C1CC1)N1CCCCC1 ZINC000348378481 542519027 /nfs/dbraw/zinc/51/90/27/542519027.db2.gz HGOTXVKBKGUTCJ-VNQPRFMTSA-N 1 3 250.430 3.029 20 0 CGADHO Fc1cc(F)cc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093453145 224579646 /nfs/dbraw/zinc/57/96/46/224579646.db2.gz COHPTKDPDDQEKW-ZACQAIPSSA-N 1 3 294.389 3.018 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H]3CCC34CCC4)C2)cc1 ZINC000282189674 195532387 /nfs/dbraw/zinc/53/23/87/195532387.db2.gz NGAGKYWTWZLNPL-RTBURBONSA-N 1 3 298.474 3.473 20 0 CGADHO COc1ccc2cc(CN[C@H]3CCC[C@@H]([NH3+])C3)ccc2c1 ZINC000414935994 533332037 /nfs/dbraw/zinc/33/20/37/533332037.db2.gz YYVMLLBBLYOXCX-SJORKVTESA-N 1 3 284.403 3.208 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)N)c1cccc(-c2ccncc2)c1 ZINC000423286698 533351436 /nfs/dbraw/zinc/35/14/36/533351436.db2.gz IGRDMIKJDCBXCU-CYBMUJFWSA-N 1 3 269.392 3.137 20 0 CGADHO CO[C@@H](C)[C@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000358039293 533355702 /nfs/dbraw/zinc/35/57/02/533355702.db2.gz ACUKXXRVXXYGNG-GJZGRUSLSA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@@H](C)[C@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000358039293 533355709 /nfs/dbraw/zinc/35/57/09/533355709.db2.gz ACUKXXRVXXYGNG-GJZGRUSLSA-N 1 3 278.440 3.040 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)[C@H](C)N ZINC000423449747 533504832 /nfs/dbraw/zinc/50/48/32/533504832.db2.gz RZMWUYROFZVTCG-MJBXVCDLSA-N 1 3 269.392 3.135 20 0 CGADHO C[C@@H](CCCc1cccnc1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423387990 533567956 /nfs/dbraw/zinc/56/79/56/533567956.db2.gz MKENIXFKBNFTRW-DOTOQJQBSA-N 1 3 289.467 3.161 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000414928883 542640734 /nfs/dbraw/zinc/64/07/34/542640734.db2.gz QOMPYFUWPKENEY-MHORFTMASA-N 1 3 272.436 3.491 20 0 CGADHO CCCCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414931811 542641031 /nfs/dbraw/zinc/64/10/31/542641031.db2.gz UZCPGXMRDBSJNA-JKSUJKDBSA-N 1 3 276.424 3.225 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(OC3CCCC3)c2)C1 ZINC000414933372 542641092 /nfs/dbraw/zinc/64/10/92/542641092.db2.gz WUKMYQMXKFNKLQ-HOTGVXAUSA-N 1 3 288.435 3.368 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(OC3CCCC3)c2)C1 ZINC000414933374 542641136 /nfs/dbraw/zinc/64/11/36/542641136.db2.gz WUKMYQMXKFNKLQ-HZPDHXFCSA-N 1 3 288.435 3.368 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414924768 542641333 /nfs/dbraw/zinc/64/13/33/542641333.db2.gz KRYKJYNXIVOBJL-KBPBESRZSA-N 1 3 252.789 3.008 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000414935384 542641715 /nfs/dbraw/zinc/64/17/15/542641715.db2.gz YKTKNRDOWQBDIN-RYUDHWBXSA-N 1 3 284.806 3.271 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCCc2c(F)cccc2Cl)C1 ZINC000414935384 542641720 /nfs/dbraw/zinc/64/17/20/542641720.db2.gz YKTKNRDOWQBDIN-RYUDHWBXSA-N 1 3 284.806 3.271 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000021807996 391942927 /nfs/dbraw/zinc/94/29/27/391942927.db2.gz GATRKWZUXCKXIE-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CCCC1 ZINC000054077361 392088168 /nfs/dbraw/zinc/08/81/68/392088168.db2.gz MCDPXEGVROTIMG-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000431599958 542653025 /nfs/dbraw/zinc/65/30/25/542653025.db2.gz LCMHCHNAJFFOOW-LYYZXLFJSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CCN1CC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](C)[C@H]1C ZINC000431599958 542653026 /nfs/dbraw/zinc/65/30/26/542653026.db2.gz LCMHCHNAJFFOOW-LYYZXLFJSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CC[N@@H+]1CC[C@@H](C)[C@H]1C)N1CC[C@H](C)[C@H]1C ZINC000431599958 542653027 /nfs/dbraw/zinc/65/30/27/542653027.db2.gz LCMHCHNAJFFOOW-LYYZXLFJSA-N 1 3 252.446 3.226 20 0 CGADHO C[C@@H](CC[N@H+]1CC[C@@H](C)[C@H]1C)N1CC[C@H](C)[C@H]1C ZINC000431599958 542653028 /nfs/dbraw/zinc/65/30/28/542653028.db2.gz LCMHCHNAJFFOOW-LYYZXLFJSA-N 1 3 252.446 3.226 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000237186490 131011900 /nfs/dbraw/zinc/01/19/00/131011900.db2.gz MKVTVSBWQFOGLU-JKSUJKDBSA-N 1 3 271.408 3.130 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000249379577 131120973 /nfs/dbraw/zinc/12/09/73/131120973.db2.gz PLHBWNIMAACWLS-GHMZBOCLSA-N 1 3 272.845 3.394 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000113655619 392382706 /nfs/dbraw/zinc/38/27/06/392382706.db2.gz NYBXWLDGYHALNW-AAEUAGOBSA-N 1 3 286.341 3.265 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C/c2ccccc2)CC1 ZINC000113656016 392383787 /nfs/dbraw/zinc/38/37/87/392383787.db2.gz HGORCILYZFUOLV-RMKNXTFCSA-N 1 3 258.409 3.021 20 0 CGADHO C[C@H]1CSC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367710796 392480542 /nfs/dbraw/zinc/48/05/42/392480542.db2.gz YZJLNOUASDBWCV-WMLDXEAASA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H]1CSC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000367710796 392480551 /nfs/dbraw/zinc/48/05/51/392480551.db2.gz YZJLNOUASDBWCV-WMLDXEAASA-N 1 3 296.524 3.372 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283782 392634999 /nfs/dbraw/zinc/63/49/99/392634999.db2.gz MVDNYZGTKBKHRE-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283782 392635008 /nfs/dbraw/zinc/63/50/08/392635008.db2.gz MVDNYZGTKBKHRE-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647283782 392635016 /nfs/dbraw/zinc/63/50/16/392635016.db2.gz MVDNYZGTKBKHRE-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000507498106 392734919 /nfs/dbraw/zinc/73/49/19/392734919.db2.gz UEFSVDANLKVJEL-QZTJIDSGSA-N 1 3 297.531 3.064 20 0 CGADHO CC(C)(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479359 392734960 /nfs/dbraw/zinc/73/49/60/392734960.db2.gz DITLJAFGLPEFLG-SJLPKXTDSA-N 1 3 286.463 3.428 20 0 CGADHO c1cc2cnccc2c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479311 392735237 /nfs/dbraw/zinc/73/52/37/392735237.db2.gz BXJBYRTYZAOTJK-HKUYNNGSSA-N 1 3 295.430 3.199 20 0 CGADHO CCC[C@@H](CN1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000647531344 392752047 /nfs/dbraw/zinc/75/20/47/392752047.db2.gz PWOKOWAQAPJDIG-INIZCTEOSA-N 1 3 260.425 3.384 20 0 CGADHO CCC[C@@H](C[NH+]1CCC(C)(N)CC1)c1ccccc1 ZINC000647531344 392752052 /nfs/dbraw/zinc/75/20/52/392752052.db2.gz PWOKOWAQAPJDIG-INIZCTEOSA-N 1 3 260.425 3.384 20 0 CGADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000647552673 392765507 /nfs/dbraw/zinc/76/55/07/392765507.db2.gz QJJBGHCDXGCFPC-OWCLPIDISA-N 1 3 264.457 3.134 20 0 CGADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000647552673 392765511 /nfs/dbraw/zinc/76/55/11/392765511.db2.gz QJJBGHCDXGCFPC-OWCLPIDISA-N 1 3 264.457 3.134 20 0 CGADHO CC[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000647936952 392837991 /nfs/dbraw/zinc/83/79/91/392837991.db2.gz NZNGBHMWLOXYLF-VQIMIIECSA-N 1 3 282.431 3.442 20 0 CGADHO CC[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000647936952 392837995 /nfs/dbraw/zinc/83/79/95/392837995.db2.gz NZNGBHMWLOXYLF-VQIMIIECSA-N 1 3 282.431 3.442 20 0 CGADHO Cc1ccc(CCN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647904133 392828582 /nfs/dbraw/zinc/82/85/82/392828582.db2.gz XKYJDTZFFDLKBA-MSOLQXFVSA-N 1 3 272.436 3.002 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000337380614 392882319 /nfs/dbraw/zinc/88/23/19/392882319.db2.gz DAHWNBBFOVGZNU-RCCFBDPRSA-N 1 3 272.436 3.417 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000377009959 392883144 /nfs/dbraw/zinc/88/31/44/392883144.db2.gz ODGAQDIOOQWSIF-WBVHZDCISA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000377009959 392883148 /nfs/dbraw/zinc/88/31/48/392883148.db2.gz ODGAQDIOOQWSIF-WBVHZDCISA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000513677850 542732890 /nfs/dbraw/zinc/73/28/90/542732890.db2.gz CXDSPBORBVHSGW-ZWKOTPCHSA-N 1 3 287.451 3.322 20 0 CGADHO CC[C@@H](C)CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000339409419 392954401 /nfs/dbraw/zinc/95/44/01/392954401.db2.gz MFDBWHBIEZVGAN-WBVHZDCISA-N 1 3 275.440 3.072 20 0 CGADHO CC(C)O[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000462804634 392968943 /nfs/dbraw/zinc/96/89/43/392968943.db2.gz MBVCJVSNJHIUMT-LSDHHAIUSA-N 1 3 296.499 3.477 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1(C)C ZINC000462804634 392968947 /nfs/dbraw/zinc/96/89/47/392968947.db2.gz MBVCJVSNJHIUMT-LSDHHAIUSA-N 1 3 296.499 3.477 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000415003345 393087470 /nfs/dbraw/zinc/08/74/70/393087470.db2.gz FVMJXYQKSGIDSS-NEPJUHHUSA-N 1 3 260.406 3.240 20 0 CGADHO CC(C)(C)c1nc(CNC[C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000415002030 393088147 /nfs/dbraw/zinc/08/81/47/393088147.db2.gz VNKUDFQKTXTRBM-NWDGAFQWSA-N 1 3 281.469 3.048 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000415006619 393091351 /nfs/dbraw/zinc/09/13/51/393091351.db2.gz KSHCLGWFJVOAPZ-MNOVXSKESA-N 1 3 278.396 3.380 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1nc2ccc(F)cc2s1 ZINC000415009683 393093546 /nfs/dbraw/zinc/09/35/46/393093546.db2.gz FNANTIJMQXWZCA-SNVBAGLBSA-N 1 3 281.400 3.043 20 0 CGADHO C[C@H](CCC[NH3+])NCc1csc(Cl)c1Cl ZINC000415019286 393098483 /nfs/dbraw/zinc/09/84/83/393098483.db2.gz HVXCKALTKWCRGI-SSDOTTSWSA-N 1 3 267.225 3.272 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)N[C@@H](C)[C@H](C)[NH3+] ZINC000415020201 393100235 /nfs/dbraw/zinc/10/02/35/393100235.db2.gz SNWUYCQFZQCOJP-UTLUCORTSA-N 1 3 260.834 3.048 20 0 CGADHO NC[C@@H]1C[N@H+](CCC2CCCCCC2)CC12CCOCC2 ZINC000414785554 393054565 /nfs/dbraw/zinc/05/45/65/393054565.db2.gz SUZFZUMLEJPQKA-QGZVFWFLSA-N 1 3 294.483 3.034 20 0 CGADHO NC[C@@H]1C[N@@H+](CCC2CCCCCC2)CC12CCOCC2 ZINC000414785554 393054571 /nfs/dbraw/zinc/05/45/71/393054571.db2.gz SUZFZUMLEJPQKA-QGZVFWFLSA-N 1 3 294.483 3.034 20 0 CGADHO C[C@H]1NCCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000414964442 393069141 /nfs/dbraw/zinc/06/91/41/393069141.db2.gz YLMLDXYWGGVHHS-DYVFJYSZSA-N 1 3 254.377 3.070 20 0 CGADHO Fc1ccc2nc(CNCCC[C@@H]3CCC[NH2+]3)sc2c1 ZINC000414963535 393069173 /nfs/dbraw/zinc/06/91/73/393069173.db2.gz KXXBVBQLNCBHBV-GFCCVEGCSA-N 1 3 293.411 3.057 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414964643 393069779 /nfs/dbraw/zinc/06/97/79/393069779.db2.gz DYCUVLNGXUZXJO-SFHVURJKSA-N 1 3 295.430 3.226 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(Cl)c2Cl)C1 ZINC000415035607 393107562 /nfs/dbraw/zinc/10/75/62/393107562.db2.gz KXVXLGNAFFPIJQ-VXNVDRBHSA-N 1 3 279.236 3.272 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3cccs3)n2)C1 ZINC000415038836 393107598 /nfs/dbraw/zinc/10/75/98/393107598.db2.gz NPECPRBXXXOAEN-WDEREUQCSA-N 1 3 293.461 3.089 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414980508 393077724 /nfs/dbraw/zinc/07/77/24/393077724.db2.gz PNKAXEBNIQYVRN-QGZVFWFLSA-N 1 3 284.403 3.093 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000414987594 393081317 /nfs/dbraw/zinc/08/13/17/393081317.db2.gz KNMHPJCCPXOCIP-JQHSSLGASA-N 1 3 290.451 3.437 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3ccsc3)n2)C1 ZINC000415045454 393110704 /nfs/dbraw/zinc/11/07/04/393110704.db2.gz UAZPJAWAERSEIL-JQWIXIFHSA-N 1 3 293.461 3.089 20 0 CGADHO Cc1cccc([C@H](NC2CC[NH2+]CC2)C(C)(C)C)c1 ZINC000415074575 393130059 /nfs/dbraw/zinc/13/00/59/393130059.db2.gz CVEGQGWUEJMLJF-INIZCTEOSA-N 1 3 260.425 3.424 20 0 CGADHO Cc1cccc([C@H]([NH2+]C2CCNCC2)C(C)(C)C)c1 ZINC000415074575 393130062 /nfs/dbraw/zinc/13/00/62/393130062.db2.gz CVEGQGWUEJMLJF-INIZCTEOSA-N 1 3 260.425 3.424 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1ccccc1Cl ZINC000415081878 393133638 /nfs/dbraw/zinc/13/36/38/393133638.db2.gz CNZGSLGVWAGIAQ-OCCSQVGLSA-N 1 3 266.816 3.003 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCNC2)cc1 ZINC000415088421 393140690 /nfs/dbraw/zinc/14/06/90/393140690.db2.gz XKIHJXMOULZPAO-GBESFXJTSA-N 1 3 286.463 3.377 20 0 CGADHO Cc1ccccc1C(C)(C)CNC[C@H]([NH3+])CC(C)C ZINC000415090072 393141087 /nfs/dbraw/zinc/14/10/87/393141087.db2.gz OPCVIBTXRXUVKA-OAHLLOKOSA-N 1 3 262.441 3.236 20 0 CGADHO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000262032228 393145218 /nfs/dbraw/zinc/14/52/18/393145218.db2.gz XHTFJWFREQSMPF-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000262032228 393145224 /nfs/dbraw/zinc/14/52/24/393145224.db2.gz XHTFJWFREQSMPF-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000415115310 393148874 /nfs/dbraw/zinc/14/88/74/393148874.db2.gz DNCREPKTUANTIX-SMDDNHRTSA-N 1 3 254.805 3.364 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C[C@@H]1CN ZINC000415128896 393154025 /nfs/dbraw/zinc/15/40/25/393154025.db2.gz OPTDYKBMQPFFRF-SJORKVTESA-N 1 3 290.451 3.152 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)C[C@@H]1CN ZINC000415128896 393154032 /nfs/dbraw/zinc/15/40/32/393154032.db2.gz OPTDYKBMQPFFRF-SJORKVTESA-N 1 3 290.451 3.152 20 0 CGADHO C[C@@H]1CCN(CCCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000415128896 393154041 /nfs/dbraw/zinc/15/40/41/393154041.db2.gz OPTDYKBMQPFFRF-SJORKVTESA-N 1 3 290.451 3.152 20 0 CGADHO Cc1cc(N2CCN(C3CCC3)CC2)c2ccccc2[nH+]1 ZINC000354639269 393247658 /nfs/dbraw/zinc/24/76/58/393247658.db2.gz VZHAGUDZODKOQU-UHFFFAOYSA-N 1 3 281.403 3.218 20 0 CGADHO Cc1cc([C@H](C)NC2CC[NH+](C3CC3)CC2)ccc1F ZINC000268762454 393202463 /nfs/dbraw/zinc/20/24/63/393202463.db2.gz OSZOGEAAVDPKDI-ZDUSSCGKSA-N 1 3 276.399 3.412 20 0 CGADHO CCc1cccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000469729054 393210279 /nfs/dbraw/zinc/21/02/79/393210279.db2.gz NWTVHJCSOGILNX-YJBOKZPZSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1cccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000469729054 393210288 /nfs/dbraw/zinc/21/02/88/393210288.db2.gz NWTVHJCSOGILNX-YJBOKZPZSA-N 1 3 274.452 3.411 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000355215390 393262825 /nfs/dbraw/zinc/26/28/25/393262825.db2.gz CMOSIRFOGVVQDX-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000355215390 393262829 /nfs/dbraw/zinc/26/28/29/393262829.db2.gz CMOSIRFOGVVQDX-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000355215390 393262834 /nfs/dbraw/zinc/26/28/34/393262834.db2.gz CMOSIRFOGVVQDX-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000355215390 393262835 /nfs/dbraw/zinc/26/28/35/393262835.db2.gz CMOSIRFOGVVQDX-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000474797463 393348933 /nfs/dbraw/zinc/34/89/33/393348933.db2.gz SIMMBQJEAQESTB-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000474879064 393354261 /nfs/dbraw/zinc/35/42/61/393354261.db2.gz LYTYWFJWEUKRAP-BZSNNMDCSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2COC(C)(C)C2)c1 ZINC000417878185 393356755 /nfs/dbraw/zinc/35/67/55/393356755.db2.gz DPLDUWVNMDLSOZ-KRWDZBQOSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2COC(C)(C)C2)c1 ZINC000417878185 393356758 /nfs/dbraw/zinc/35/67/58/393356758.db2.gz DPLDUWVNMDLSOZ-KRWDZBQOSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@@](C)(NCCCC1CC[NH2+]CC1)c1nc(C)cs1 ZINC000649414733 393415017 /nfs/dbraw/zinc/41/50/17/393415017.db2.gz UHMXPHPEPVNLMX-MRXNPFEDSA-N 1 3 295.496 3.446 20 0 CGADHO CC[C@@](C)(NCCCC1CC[NH2+]CC1)c1nccs1 ZINC000649414780 393415509 /nfs/dbraw/zinc/41/55/09/393415509.db2.gz XICGEPZGGITTEA-OAHLLOKOSA-N 1 3 281.469 3.138 20 0 CGADHO CC[C@@H](C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000481032875 393436701 /nfs/dbraw/zinc/43/67/01/393436701.db2.gz IWQUTXUDNBLIPF-ZACQAIPSSA-N 1 3 296.499 3.244 20 0 CGADHO CC[NH+](CC)CCCNCCc1ccc(F)cc1Cl ZINC000356435302 393443416 /nfs/dbraw/zinc/44/34/16/393443416.db2.gz IUKRPKLULPAUMT-UHFFFAOYSA-N 1 3 286.822 3.343 20 0 CGADHO CCN(CC)CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356435302 393443417 /nfs/dbraw/zinc/44/34/17/393443417.db2.gz IUKRPKLULPAUMT-UHFFFAOYSA-N 1 3 286.822 3.343 20 0 CGADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1c(F)cccc1Cl ZINC000420393961 393482120 /nfs/dbraw/zinc/48/21/20/393482120.db2.gz CFHFJMFPCBIIPV-QWRGUYRKSA-N 1 3 270.779 3.129 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN2CCC(C(C)C)CC2)cc1 ZINC000420297830 393454088 /nfs/dbraw/zinc/45/40/88/393454088.db2.gz GGZHFGYTKJYUIS-QGZVFWFLSA-N 1 3 290.451 3.106 20 0 CGADHO Cc1csc(C2(NCC[C@H]3CCC[NH2+]C3)CCCC2)n1 ZINC000420306240 393457661 /nfs/dbraw/zinc/45/76/61/393457661.db2.gz AGNJXCCCZHXKMR-CQSZACIVSA-N 1 3 293.480 3.200 20 0 CGADHO CCN(CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420316648 393463322 /nfs/dbraw/zinc/46/33/22/393463322.db2.gz MWLKAKMXESLBJH-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420396473 393483189 /nfs/dbraw/zinc/48/31/89/393483189.db2.gz FHRROTFGQGKQEL-ZKYQVNSYSA-N 1 3 286.341 3.278 20 0 CGADHO CN(CC[C@H]1CC[NH2+]C1)Cc1cc(Cl)cc(Cl)c1 ZINC000420321122 393465494 /nfs/dbraw/zinc/46/54/94/393465494.db2.gz QTXXBCIAAKJERP-LLVKDONJSA-N 1 3 287.234 3.425 20 0 CGADHO CCc1ccccc1CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000420320847 393466765 /nfs/dbraw/zinc/46/67/65/393466765.db2.gz ZHSJUKZQIUDSKP-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CCC1 ZINC000429514833 393472070 /nfs/dbraw/zinc/47/20/70/393472070.db2.gz MOJUHFPKBILPSP-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc(C)c(OCCC[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000420364989 393474644 /nfs/dbraw/zinc/47/46/44/393474644.db2.gz PSRNIWQUHWEDIB-KRWDZBQOSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1ccc(C)c(OCCCN[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420364989 393474650 /nfs/dbraw/zinc/47/46/50/393474650.db2.gz PSRNIWQUHWEDIB-KRWDZBQOSA-N 1 3 290.451 3.050 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000420370466 393476527 /nfs/dbraw/zinc/47/65/27/393476527.db2.gz VVAYNEWPQPMRCL-SFHVURJKSA-N 1 3 282.431 3.360 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCCc1ccc2ccccc2c1 ZINC000420370466 393476529 /nfs/dbraw/zinc/47/65/29/393476529.db2.gz VVAYNEWPQPMRCL-SFHVURJKSA-N 1 3 282.431 3.360 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1ccc(F)c(Cl)c1 ZINC000420371111 393477134 /nfs/dbraw/zinc/47/71/34/393477134.db2.gz ZMYJUQAMKZTZBR-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488333312 393490116 /nfs/dbraw/zinc/49/01/16/393490116.db2.gz UQBIUHBKOJNRBG-CYBMUJFWSA-N 1 3 289.398 3.081 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488333312 393490122 /nfs/dbraw/zinc/49/01/22/393490122.db2.gz UQBIUHBKOJNRBG-CYBMUJFWSA-N 1 3 289.398 3.081 20 0 CGADHO C[C@H]1C[C@H]1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000488408820 393502060 /nfs/dbraw/zinc/50/20/60/393502060.db2.gz IDHNZSKGETWSCG-ZFWWWQNUSA-N 1 3 278.465 3.206 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H]1C ZINC000488431177 393511035 /nfs/dbraw/zinc/51/10/35/393511035.db2.gz OBWHIGRXXDDFHJ-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430084456 393518506 /nfs/dbraw/zinc/51/85/06/393518506.db2.gz LCFGCSWXBJLKHT-IBGZPJMESA-N 1 3 286.463 3.482 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC000430084456 393518512 /nfs/dbraw/zinc/51/85/12/393518512.db2.gz LCFGCSWXBJLKHT-IBGZPJMESA-N 1 3 286.463 3.482 20 0 CGADHO C[C@@H](NCc1ccccc1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000666774162 542814766 /nfs/dbraw/zinc/81/47/66/542814766.db2.gz JDFDTLDHKDXPAF-HIFRSBDPSA-N 1 3 258.409 3.042 20 0 CGADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000666859936 542822144 /nfs/dbraw/zinc/82/21/44/542822144.db2.gz IBKMSIWTHPUFFN-CADBVGFASA-N 1 3 299.462 3.157 20 0 CGADHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc(OC)c1 ZINC000360853530 393599033 /nfs/dbraw/zinc/59/90/33/393599033.db2.gz AUWZBZIOXJLEMP-XJKSGUPXSA-N 1 3 264.413 3.076 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000491324977 393680486 /nfs/dbraw/zinc/68/04/86/393680486.db2.gz YDFLWNZUVLTIDK-KSSFIOAISA-N 1 3 272.436 3.138 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000491324977 393680491 /nfs/dbraw/zinc/68/04/91/393680491.db2.gz YDFLWNZUVLTIDK-KSSFIOAISA-N 1 3 272.436 3.138 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000424375225 393682281 /nfs/dbraw/zinc/68/22/81/393682281.db2.gz JYNSPBZVDCXCEO-FZKCQIBNSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN1 ZINC000424375225 393682283 /nfs/dbraw/zinc/68/22/83/393682283.db2.gz JYNSPBZVDCXCEO-FZKCQIBNSA-N 1 3 250.430 3.075 20 0 CGADHO CCS[C@@H]1CCC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422820990 393643659 /nfs/dbraw/zinc/64/36/59/393643659.db2.gz TXVVZBGYBJQGJQ-YJNKXOJESA-N 1 3 270.486 3.171 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422804465 393644315 /nfs/dbraw/zinc/64/43/15/393644315.db2.gz KUTBAGRICGQPFR-JZXOWHBKSA-N 1 3 272.436 3.214 20 0 CGADHO Cc1cccc(C2(C[NH2+][C@@H](C)C3CNC3)CCCC2)c1 ZINC000422910933 393646366 /nfs/dbraw/zinc/64/63/66/393646366.db2.gz RXIPZWUDYQPJGC-HNNXBMFYSA-N 1 3 272.436 3.004 20 0 CGADHO Cc1cccc(C2(CN[C@@H](C)C3C[NH2+]C3)CCCC2)c1 ZINC000422910933 393646372 /nfs/dbraw/zinc/64/63/72/393646372.db2.gz RXIPZWUDYQPJGC-HNNXBMFYSA-N 1 3 272.436 3.004 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423033588 393648531 /nfs/dbraw/zinc/64/85/31/393648531.db2.gz ZINYLOYIOYLVKF-VZEFYGNVSA-N 1 3 288.435 3.315 20 0 CGADHO CC(C)(N)C[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000423281763 393659435 /nfs/dbraw/zinc/65/94/35/393659435.db2.gz BOGWETQQNQHBOX-AWEZNQCLSA-N 1 3 266.816 3.434 20 0 CGADHO CC(C)(N)C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423287098 393659457 /nfs/dbraw/zinc/65/94/57/393659457.db2.gz KHAVYHAIWFYTHL-CYBMUJFWSA-N 1 3 297.240 3.153 20 0 CGADHO c1cc(-c2ccccc2)oc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666953968 542829071 /nfs/dbraw/zinc/82/90/71/542829071.db2.gz MDLFCSULWXJWRV-KRWDZBQOSA-N 1 3 282.387 3.178 20 0 CGADHO CCc1ccc(CC[N@H+](C)CCCN2CCCC2)cc1 ZINC000499937220 393812210 /nfs/dbraw/zinc/81/22/10/393812210.db2.gz RVFMANGWAQJQQW-UHFFFAOYSA-N 1 3 274.452 3.209 20 0 CGADHO CCc1ccc(CC[N@@H+](C)CCCN2CCCC2)cc1 ZINC000499937220 393812217 /nfs/dbraw/zinc/81/22/17/393812217.db2.gz RVFMANGWAQJQQW-UHFFFAOYSA-N 1 3 274.452 3.209 20 0 CGADHO CC[C@@H](C)[C@H](CNC1CC[NH+](C2CCCC2)CC1)OC ZINC000449404760 393880600 /nfs/dbraw/zinc/88/06/00/393880600.db2.gz WABAVIOURFORBK-PBHICJAKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](C)[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)OC ZINC000449404760 393880604 /nfs/dbraw/zinc/88/06/04/393880604.db2.gz WABAVIOURFORBK-PBHICJAKSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995297 542832516 /nfs/dbraw/zinc/83/25/16/542832516.db2.gz JUTOIBCLXZRXFK-UKRRQHHQSA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995213 542832957 /nfs/dbraw/zinc/83/29/57/542832957.db2.gz GLIPYYJJSAUIOD-KGLIPLIRSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCCCC1 ZINC000666993804 542833017 /nfs/dbraw/zinc/83/30/17/542833017.db2.gz KYSJFSCGDIADKP-UKRRQHHQSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cccc(C)c1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666996778 542833818 /nfs/dbraw/zinc/83/38/18/542833818.db2.gz FOLUDDQGVKVTRR-HNNXBMFYSA-N 1 3 258.409 3.068 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666996703 542834018 /nfs/dbraw/zinc/83/40/18/542834018.db2.gz AKNJYHDHSBIDKD-BZUAXINKSA-N 1 3 264.457 3.467 20 0 CGADHO C1=C(CCN2CC[C@@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000450430930 393996922 /nfs/dbraw/zinc/99/69/22/393996922.db2.gz WMMVNQBTWFNMBP-KRWDZBQOSA-N 1 3 262.441 3.295 20 0 CGADHO C1=C(CC[N@@H+]2CC[C@@H](CN3CCCC3)C2)CCCC1 ZINC000450430930 393996925 /nfs/dbraw/zinc/99/69/25/393996925.db2.gz WMMVNQBTWFNMBP-KRWDZBQOSA-N 1 3 262.441 3.295 20 0 CGADHO C1=C(CC[N@H+]2CC[C@@H](CN3CCCC3)C2)CCCC1 ZINC000450430930 393996928 /nfs/dbraw/zinc/99/69/28/393996928.db2.gz WMMVNQBTWFNMBP-KRWDZBQOSA-N 1 3 262.441 3.295 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccncc1 ZINC000453068197 394160434 /nfs/dbraw/zinc/16/04/34/394160434.db2.gz XOPCMJRTDXVMJZ-WBVHZDCISA-N 1 3 275.440 3.244 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccncc1 ZINC000453215133 394207981 /nfs/dbraw/zinc/20/79/81/394207981.db2.gz PUZQAKKCPNWIFH-INIZCTEOSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3c(F)cccc32)CC[N@@H+]1C ZINC000453233322 394213845 /nfs/dbraw/zinc/21/38/45/394213845.db2.gz KBXAIXSCWMOFRL-XNJGSVPQSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCc3c(F)cccc32)CC[N@H+]1C ZINC000453233322 394213846 /nfs/dbraw/zinc/21/38/46/394213846.db2.gz KBXAIXSCWMOFRL-XNJGSVPQSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cn1 ZINC000453407099 394236570 /nfs/dbraw/zinc/23/65/70/394236570.db2.gz RUDNJZHKYUOGHS-LBPRGKRZSA-N 1 3 281.831 3.260 20 0 CGADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cn1 ZINC000453407099 394236575 /nfs/dbraw/zinc/23/65/75/394236575.db2.gz RUDNJZHKYUOGHS-LBPRGKRZSA-N 1 3 281.831 3.260 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@H+](C)C2CC2)o1 ZINC000453590750 394251515 /nfs/dbraw/zinc/25/15/15/394251515.db2.gz BESQLAIAVDIDIU-CJNGLKHVSA-N 1 3 276.424 3.367 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNCCCC[N@@H+](C)C2CC2)o1 ZINC000453590750 394251520 /nfs/dbraw/zinc/25/15/20/394251520.db2.gz BESQLAIAVDIDIU-CJNGLKHVSA-N 1 3 276.424 3.367 20 0 CGADHO C[N@H+](CCCCNCc1cc(F)c(F)c(F)c1)C1CC1 ZINC000453590806 394252292 /nfs/dbraw/zinc/25/22/92/394252292.db2.gz BLJWFAVBYCVCEV-UHFFFAOYSA-N 1 3 286.341 3.068 20 0 CGADHO C[N@@H+](CCCCNCc1cc(F)c(F)c(F)c1)C1CC1 ZINC000453590806 394252295 /nfs/dbraw/zinc/25/22/95/394252295.db2.gz BLJWFAVBYCVCEV-UHFFFAOYSA-N 1 3 286.341 3.068 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2cc(COC)cs2)CC1 ZINC000667533904 542885573 /nfs/dbraw/zinc/88/55/73/542885573.db2.gz FMLVFTUJGJGDOE-UHFFFAOYSA-N 1 3 296.480 3.201 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2cc(COC)cs2)CC1 ZINC000667533904 542885574 /nfs/dbraw/zinc/88/55/74/542885574.db2.gz FMLVFTUJGJGDOE-UHFFFAOYSA-N 1 3 296.480 3.201 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667928242 542946750 /nfs/dbraw/zinc/94/67/50/542946750.db2.gz UGYYIMZVWZPQAQ-IXDOHACOSA-N 1 3 258.409 3.026 20 0 CGADHO CCC(C)(C)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668477871 543018017 /nfs/dbraw/zinc/01/80/17/543018017.db2.gz HQWKWEUEDPQQJK-AWEZNQCLSA-N 1 3 275.440 3.465 20 0 CGADHO CC(C)(C)CC[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000668818353 543066319 /nfs/dbraw/zinc/06/63/19/543066319.db2.gz GTFBVBUWFLOUTG-HNNXBMFYSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000043315846 397616161 /nfs/dbraw/zinc/61/61/61/397616161.db2.gz KXPCYPYCKBTFKC-MSOLQXFVSA-N 1 3 272.436 3.267 20 0 CGADHO c1cc2c(c(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704319 397897851 /nfs/dbraw/zinc/89/78/51/397897851.db2.gz SZMJEWAKVITMEX-QFBILLFUSA-N 1 3 284.447 3.139 20 0 CGADHO CC(C)c1nc([C@H](C)NCCC2(C[NH3+])CC2)cs1 ZINC000650746729 397906704 /nfs/dbraw/zinc/90/67/04/397906704.db2.gz JXXISNRYYFAIMA-NSHDSACASA-N 1 3 267.442 3.046 20 0 CGADHO C[C@@H](Cc1cccs1)NCc1ccc(C[NH3+])cc1F ZINC000650752608 397908746 /nfs/dbraw/zinc/90/87/46/397908746.db2.gz VDNMQMJYOHXNPT-NSHDSACASA-N 1 3 278.396 3.067 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](c1cccnc1)C(C)C ZINC000650756511 397909871 /nfs/dbraw/zinc/90/98/71/397909871.db2.gz CEUGGPFWUAKMLJ-SFHVURJKSA-N 1 3 283.419 3.288 20 0 CGADHO c1c[nH]c([C@@H](NCCC2CC[NH2+]CC2)C2CCCCC2)n1 ZINC000650761653 397911853 /nfs/dbraw/zinc/91/18/53/397911853.db2.gz GPRDJQANZBVXCQ-INIZCTEOSA-N 1 3 290.455 3.010 20 0 CGADHO COC1([C@@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000414313224 292133271 /nfs/dbraw/zinc/13/32/71/292133271.db2.gz XQOOVIKAZWGDDU-OAHLLOKOSA-N 1 3 294.483 3.331 20 0 CGADHO COC1([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000414313224 292133274 /nfs/dbraw/zinc/13/32/74/292133274.db2.gz XQOOVIKAZWGDDU-OAHLLOKOSA-N 1 3 294.483 3.331 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000421822959 292135764 /nfs/dbraw/zinc/13/57/64/292135764.db2.gz BTQOLDKKWZVHNQ-SJORKVTESA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000675783687 543364618 /nfs/dbraw/zinc/36/46/18/543364618.db2.gz PTADDZNTHUOHTG-PMPSAXMXSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000677237166 543440615 /nfs/dbraw/zinc/44/06/15/543440615.db2.gz DPDUWLTZBJKGPE-GJZGRUSLSA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000677237166 543440617 /nfs/dbraw/zinc/44/06/17/543440617.db2.gz DPDUWLTZBJKGPE-GJZGRUSLSA-N 1 3 290.426 3.320 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000677240019 543441466 /nfs/dbraw/zinc/44/14/66/543441466.db2.gz CZQIODJPPJQDOT-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677240019 543441467 /nfs/dbraw/zinc/44/14/67/543441467.db2.gz CZQIODJPPJQDOT-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677240019 543441468 /nfs/dbraw/zinc/44/14/68/543441468.db2.gz CZQIODJPPJQDOT-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)CC(C)C ZINC000419255218 286014046 /nfs/dbraw/zinc/01/40/46/286014046.db2.gz YGWGMRLXJDZKRS-NUJGCVRESA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)CC(C)C ZINC000419255218 286014047 /nfs/dbraw/zinc/01/40/47/286014047.db2.gz YGWGMRLXJDZKRS-NUJGCVRESA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000419255218 286014048 /nfs/dbraw/zinc/01/40/48/286014048.db2.gz YGWGMRLXJDZKRS-NUJGCVRESA-N 1 3 296.499 3.290 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)c(C)n1 ZINC000678412446 543521877 /nfs/dbraw/zinc/52/18/77/543521877.db2.gz WVNGQXPQSUHWFG-INIZCTEOSA-N 1 3 289.467 3.471 20 0 CGADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000678930321 543573608 /nfs/dbraw/zinc/57/36/08/543573608.db2.gz HVMAXAMDYGIZTF-KSSFIOAISA-N 1 3 270.420 3.162 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000422860803 298399752 /nfs/dbraw/zinc/39/97/52/298399752.db2.gz NCUGDZAINVSWBB-DYVFJYSZSA-N 1 3 287.382 3.027 20 0 CGADHO C[C@H]1CCCC[C@H]1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000056522342 286947729 /nfs/dbraw/zinc/94/77/29/286947729.db2.gz KBGJQBRRPLYTPM-FUHWJXTLSA-N 1 3 296.499 3.245 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)CN1CCCC1 ZINC000079979210 287062050 /nfs/dbraw/zinc/06/20/50/287062050.db2.gz GFBPDHKPRKJLFV-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCC2)C12CCCC2 ZINC000085681265 165181769 /nfs/dbraw/zinc/18/17/69/165181769.db2.gz FLVMAWXIQGNVQO-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000121205302 287194583 /nfs/dbraw/zinc/19/45/83/287194583.db2.gz FFUNKEJNXNFPHH-RDJZCZTQSA-N 1 3 260.425 3.042 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121205302 287194585 /nfs/dbraw/zinc/19/45/85/287194585.db2.gz FFUNKEJNXNFPHH-RDJZCZTQSA-N 1 3 260.425 3.042 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000122237953 287207804 /nfs/dbraw/zinc/20/78/04/287207804.db2.gz KOKRUSIEMYOBIY-HOCLYGCPSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000122237953 287207807 /nfs/dbraw/zinc/20/78/07/287207807.db2.gz KOKRUSIEMYOBIY-HOCLYGCPSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](C[NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000020128867 171016118 /nfs/dbraw/zinc/01/61/18/171016118.db2.gz XAXRKKLSJKSTRT-INIZCTEOSA-N 1 3 260.425 3.256 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CC1 ZINC000125975769 287254259 /nfs/dbraw/zinc/25/42/59/287254259.db2.gz OBYZWQJEVJJLQQ-GDBMZVCRSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC1(C)C ZINC000094303056 287268429 /nfs/dbraw/zinc/26/84/29/287268429.db2.gz KTGALHKIRBAQGJ-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO FC(F)(F)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408195 173184067 /nfs/dbraw/zinc/18/40/67/173184067.db2.gz YHWIQECQHJCHQL-CYBMUJFWSA-N 1 3 298.352 3.279 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000441356600 287299276 /nfs/dbraw/zinc/29/92/76/287299276.db2.gz MIHSGMRNUKBORQ-SQNIBIBYSA-N 1 3 296.499 3.388 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000441356600 287299277 /nfs/dbraw/zinc/29/92/77/287299277.db2.gz MIHSGMRNUKBORQ-SQNIBIBYSA-N 1 3 296.499 3.388 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCOC2(C)C)CC1 ZINC000449417651 287311245 /nfs/dbraw/zinc/31/12/45/287311245.db2.gz ZQLZPSSUWKILKV-DJIMGWMZSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000449417651 287311247 /nfs/dbraw/zinc/31/12/47/287311247.db2.gz ZQLZPSSUWKILKV-DJIMGWMZSA-N 1 3 294.483 3.187 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000312777157 416533482 /nfs/dbraw/zinc/53/34/82/416533482.db2.gz AFSFKCSQZOWSNN-JQHSSLGASA-N 1 3 270.420 3.125 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000312777157 416533487 /nfs/dbraw/zinc/53/34/87/416533487.db2.gz AFSFKCSQZOWSNN-JQHSSLGASA-N 1 3 270.420 3.125 20 0 CGADHO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC[C@H]1CCCN1C ZINC000679540693 543643503 /nfs/dbraw/zinc/64/35/03/543643503.db2.gz ODIZBATZHMPVJU-JHJVBQTASA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC[C@H]1CCCN1C ZINC000679540693 543643506 /nfs/dbraw/zinc/64/35/06/543643506.db2.gz ODIZBATZHMPVJU-JHJVBQTASA-N 1 3 278.362 3.134 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000130252767 287349096 /nfs/dbraw/zinc/34/90/96/287349096.db2.gz YXOKYHCBHWKZMW-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493821 543792329 /nfs/dbraw/zinc/79/23/29/543792329.db2.gz MPXVMSMUGUBYRD-YJBOKZPZSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493821 543792331 /nfs/dbraw/zinc/79/23/31/543792331.db2.gz MPXVMSMUGUBYRD-YJBOKZPZSA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493820 543791742 /nfs/dbraw/zinc/79/17/42/543791742.db2.gz MPXVMSMUGUBYRD-QAPCUYQASA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000681493820 543791744 /nfs/dbraw/zinc/79/17/44/543791744.db2.gz MPXVMSMUGUBYRD-QAPCUYQASA-N 1 3 290.451 3.247 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000681167994 543772455 /nfs/dbraw/zinc/77/24/55/543772455.db2.gz PKQQGFDXGFQVQC-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000681167994 543772459 /nfs/dbraw/zinc/77/24/59/543772459.db2.gz PKQQGFDXGFQVQC-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076662 543823075 /nfs/dbraw/zinc/82/30/75/543823075.db2.gz VIYZYURWHQWUIO-WMLDXEAASA-N 1 3 285.435 3.473 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)C[C@@H]1C ZINC000682076662 543823078 /nfs/dbraw/zinc/82/30/78/543823078.db2.gz VIYZYURWHQWUIO-WMLDXEAASA-N 1 3 285.435 3.473 20 0 CGADHO CN1CCCC12CC[NH+]([C@@H]1CCc3ccccc31)CC2 ZINC000683786002 543941893 /nfs/dbraw/zinc/94/18/93/543941893.db2.gz USKNTUPMBQGVHQ-QGZVFWFLSA-N 1 3 270.420 3.234 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@@H](OC)C1 ZINC000684369272 543987348 /nfs/dbraw/zinc/98/73/48/543987348.db2.gz RSXQEPFHFMLUQO-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684369272 543987349 /nfs/dbraw/zinc/98/73/49/543987349.db2.gz RSXQEPFHFMLUQO-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471132 544078421 /nfs/dbraw/zinc/07/84/21/544078421.db2.gz OENQQBFXLXFPFV-MJGOQNOKSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471132 544078422 /nfs/dbraw/zinc/07/84/22/544078422.db2.gz OENQQBFXLXFPFV-MJGOQNOKSA-N 1 3 284.447 3.480 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650741618 418936178 /nfs/dbraw/zinc/93/61/78/418936178.db2.gz HVDNLCRIAKWXTL-ICBNADEASA-N 1 3 284.447 3.361 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@H]2CCNCC[C@@H]2C)C[C@@H](C)C1 ZINC000665239219 419089131 /nfs/dbraw/zinc/08/91/31/419089131.db2.gz OBWXJGOWKSOKDY-NPJQDHAYSA-N 1 3 252.446 3.036 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273819 419098524 /nfs/dbraw/zinc/09/85/24/419098524.db2.gz DUQIACGUGOQRBA-AHPWVWPOSA-N 1 3 272.383 3.062 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000655805611 419101239 /nfs/dbraw/zinc/10/12/39/419101239.db2.gz PXJUKJZOSSWKAK-HHXXYDBFSA-N 1 3 295.430 3.101 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000665281940 419102495 /nfs/dbraw/zinc/10/24/95/419102495.db2.gz MNVSZXDANZPWLY-IKGGRYGDSA-N 1 3 290.451 3.196 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283503 419102955 /nfs/dbraw/zinc/10/29/55/419102955.db2.gz OYYQWYSJIGEQBO-LHUBUQBQSA-N 1 3 264.457 3.323 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283368 419103384 /nfs/dbraw/zinc/10/33/84/419103384.db2.gz MQCBDJCBNDSZGB-ODZFXCKXSA-N 1 3 264.457 3.452 20 0 CGADHO C[C@H](NCC(C)(C)CC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000665301189 419111720 /nfs/dbraw/zinc/11/17/20/419111720.db2.gz QVOCOAFKLRCBBE-WDEREUQCSA-N 1 3 266.351 3.085 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000655710491 419073372 /nfs/dbraw/zinc/07/33/72/419073372.db2.gz BYRSLXATQUPOKF-WBVHZDCISA-N 1 3 272.436 3.222 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000655710491 419073375 /nfs/dbraw/zinc/07/33/75/419073375.db2.gz BYRSLXATQUPOKF-WBVHZDCISA-N 1 3 272.436 3.222 20 0 CGADHO Cc1cnc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(C)c1 ZINC000656199700 419148127 /nfs/dbraw/zinc/14/81/27/419148127.db2.gz BCGXQXQNGWIXJW-IRXDYDNUSA-N 1 3 289.467 3.141 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000656197663 419148528 /nfs/dbraw/zinc/14/85/28/419148528.db2.gz WILZJZMZOLQWTP-CVEARBPZSA-N 1 3 260.425 3.214 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NC2(c3ccc(F)cc3)CCC2)C1 ZINC000656197766 419149034 /nfs/dbraw/zinc/14/90/34/419149034.db2.gz JDBVVRMYHXGIIE-LSDHHAIUSA-N 1 3 262.372 3.064 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000656197666 419149117 /nfs/dbraw/zinc/14/91/17/419149117.db2.gz WILZJZMZOLQWTP-HOTGVXAUSA-N 1 3 260.425 3.214 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000656201122 419149464 /nfs/dbraw/zinc/14/94/64/419149464.db2.gz KDSXYPZGMBNTNB-VBNZEHGJSA-N 1 3 276.424 3.172 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](CCSc1ccccc1)C2 ZINC000660660130 419176006 /nfs/dbraw/zinc/17/60/06/419176006.db2.gz UPBIPSKJEUAJBW-KRWDZBQOSA-N 1 3 290.476 3.196 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](CCSc1ccccc1)C2 ZINC000660660130 419176009 /nfs/dbraw/zinc/17/60/09/419176009.db2.gz UPBIPSKJEUAJBW-KRWDZBQOSA-N 1 3 290.476 3.196 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]C3CCN(CC4CC4)CC3)cc21 ZINC000657318749 419249194 /nfs/dbraw/zinc/24/91/94/419249194.db2.gz NPJMHIZVZBSJOJ-UHFFFAOYSA-N 1 3 297.446 3.440 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656788729 419220478 /nfs/dbraw/zinc/22/04/78/419220478.db2.gz BUBSPXDLWKVTII-IAGOWNOFSA-N 1 3 272.436 3.358 20 0 CGADHO Cc1cccc(CC[C@H](C)NCC2([NH3+])CCCC2)c1 ZINC000656789804 419220515 /nfs/dbraw/zinc/22/05/15/419220515.db2.gz ZDZQTGAXVYLJTL-HNNXBMFYSA-N 1 3 260.425 3.177 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc21 ZINC000657483446 419290086 /nfs/dbraw/zinc/29/00/86/419290086.db2.gz QKCMLIQGJVONIY-VHRNVKJDSA-N 1 3 283.419 3.191 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N ZINC000662242517 419370214 /nfs/dbraw/zinc/37/02/14/419370214.db2.gz AMQJNEAXGOQMKL-JOCBIADPSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1N ZINC000662242517 419370216 /nfs/dbraw/zinc/37/02/16/419370216.db2.gz AMQJNEAXGOQMKL-JOCBIADPSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000662242517 419370220 /nfs/dbraw/zinc/37/02/20/419370220.db2.gz AMQJNEAXGOQMKL-JOCBIADPSA-N 1 3 272.436 3.239 20 0 CGADHO CCN(C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000662263160 419374818 /nfs/dbraw/zinc/37/48/18/419374818.db2.gz IBFUQVWBTRCKAX-ZIAGYGMSSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@H+](C[C@H]1CCCCC1(F)F)[C@@H]1CCCNCC1 ZINC000662263160 419374821 /nfs/dbraw/zinc/37/48/21/419374821.db2.gz IBFUQVWBTRCKAX-ZIAGYGMSSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@H]1CCCCC1(F)F)[C@@H]1CCCNCC1 ZINC000662263160 419374825 /nfs/dbraw/zinc/37/48/25/419374825.db2.gz IBFUQVWBTRCKAX-ZIAGYGMSSA-N 1 3 274.399 3.276 20 0 CGADHO c1ccc2c(c1)CC[C@H]2CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277266 419381776 /nfs/dbraw/zinc/38/17/76/419381776.db2.gz OJWCNSFFQLABQJ-PKOBYXMFSA-N 1 3 284.447 3.182 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)CN1CCCCC1 ZINC000657844697 419386626 /nfs/dbraw/zinc/38/66/26/419386626.db2.gz RKYFJMCHZYBDRV-STQMWFEESA-N 1 3 276.415 3.378 20 0 CGADHO CCC[C@H](C)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663346248 419565492 /nfs/dbraw/zinc/56/54/92/419565492.db2.gz RPOGIVSTZCDQLO-HOCLYGCPSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034223 419511061 /nfs/dbraw/zinc/51/10/61/419511061.db2.gz DZNUIOLKSHVUPH-QWHCGFSZSA-N 1 3 297.393 3.402 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034223 419511067 /nfs/dbraw/zinc/51/10/67/419511067.db2.gz DZNUIOLKSHVUPH-QWHCGFSZSA-N 1 3 297.393 3.402 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1csc2ccccc12 ZINC000663499347 419635445 /nfs/dbraw/zinc/63/54/45/419635445.db2.gz YPBUHEQSQIXVTB-CQSZACIVSA-N 1 3 262.422 3.364 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000663502658 419635458 /nfs/dbraw/zinc/63/54/58/419635458.db2.gz JNHFOZRSNZDXJQ-GVDBMIGSSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000663502658 419635464 /nfs/dbraw/zinc/63/54/64/419635464.db2.gz JNHFOZRSNZDXJQ-GVDBMIGSSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000663502678 419636194 /nfs/dbraw/zinc/63/61/94/419636194.db2.gz JUOFHJBZAGEULQ-BRWVUGGUSA-N 1 3 278.415 3.425 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000663502678 419636198 /nfs/dbraw/zinc/63/61/98/419636198.db2.gz JUOFHJBZAGEULQ-BRWVUGGUSA-N 1 3 278.415 3.425 20 0 CGADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000663511926 419638820 /nfs/dbraw/zinc/63/88/20/419638820.db2.gz ZKCIZYXFDHIMPT-USXIJHARSA-N 1 3 260.425 3.300 20 0 CGADHO C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663466057 419615432 /nfs/dbraw/zinc/61/54/32/419615432.db2.gz NORSTSBFSWZJOZ-SJORKVTESA-N 1 3 276.468 3.421 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466242 419616873 /nfs/dbraw/zinc/61/68/73/419616873.db2.gz PWRYRHYQUKRUPP-GXTWGEPZSA-N 1 3 292.389 3.429 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCCC1 ZINC000663468887 419622040 /nfs/dbraw/zinc/62/20/40/419622040.db2.gz NFANOQCNVXILIB-GDBMZVCRSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663471309 419625197 /nfs/dbraw/zinc/62/51/97/419625197.db2.gz XKFOTGHXCAEYSA-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658179105 419645408 /nfs/dbraw/zinc/64/54/08/419645408.db2.gz LWQQIFJFQQRHJF-SZMVWBNQSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000658179105 419645416 /nfs/dbraw/zinc/64/54/16/419645416.db2.gz LWQQIFJFQQRHJF-SZMVWBNQSA-N 1 3 296.499 3.026 20 0 CGADHO FC1(F)CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000390692174 262241328 /nfs/dbraw/zinc/24/13/28/262241328.db2.gz AZSCLKMOBHAIRT-CBBWQLFWSA-N 1 3 286.410 3.322 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000390692174 262241330 /nfs/dbraw/zinc/24/13/30/262241330.db2.gz AZSCLKMOBHAIRT-CBBWQLFWSA-N 1 3 286.410 3.322 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535591 270036279 /nfs/dbraw/zinc/03/62/79/270036279.db2.gz VENNCFXHOZABQN-ZBFHGGJFSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535591 270036281 /nfs/dbraw/zinc/03/62/81/270036281.db2.gz VENNCFXHOZABQN-ZBFHGGJFSA-N 1 3 260.425 3.241 20 0 CGADHO CSc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534656 270036288 /nfs/dbraw/zinc/03/62/88/270036288.db2.gz VBKVLOJGHHGVIE-KGLIPLIRSA-N 1 3 278.465 3.401 20 0 CGADHO CSc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534656 270036290 /nfs/dbraw/zinc/03/62/90/270036290.db2.gz VBKVLOJGHHGVIE-KGLIPLIRSA-N 1 3 278.465 3.401 20 0 CGADHO CC(C)c1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535342 270036297 /nfs/dbraw/zinc/03/62/97/270036297.db2.gz GSJGVBKTLFFYEP-MRXNPFEDSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)c1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535342 270036299 /nfs/dbraw/zinc/03/62/99/270036299.db2.gz GSJGVBKTLFFYEP-MRXNPFEDSA-N 1 3 260.425 3.241 20 0 CGADHO CCSc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000185464464 270062918 /nfs/dbraw/zinc/06/29/18/270062918.db2.gz XJLANRHGWGCACO-OAHLLOKOSA-N 1 3 290.476 3.373 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCSCC1 ZINC000186939077 270067751 /nfs/dbraw/zinc/06/77/51/270067751.db2.gz QOFRAIBSAVCZEN-GFCCVEGCSA-N 1 3 284.513 3.417 20 0 CGADHO c1ccc(CCCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000187072598 270067775 /nfs/dbraw/zinc/06/77/75/270067775.db2.gz SJXUGWXSZZQCCM-IBGZPJMESA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000187072598 270067776 /nfs/dbraw/zinc/06/77/76/270067776.db2.gz SJXUGWXSZZQCCM-IBGZPJMESA-N 1 3 286.463 3.427 20 0 CGADHO c1ccc(CCCC[N@H+]2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000187072598 270067777 /nfs/dbraw/zinc/06/77/77/270067777.db2.gz SJXUGWXSZZQCCM-IBGZPJMESA-N 1 3 286.463 3.427 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000187125116 270067867 /nfs/dbraw/zinc/06/78/67/270067867.db2.gz AQBJXPKFYYSKRF-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000187125116 270067868 /nfs/dbraw/zinc/06/78/68/270067868.db2.gz AQBJXPKFYYSKRF-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCCCc2ccccc2)C1 ZINC000187125116 270067869 /nfs/dbraw/zinc/06/78/69/270067869.db2.gz AQBJXPKFYYSKRF-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCCCc2ccccc2)C1 ZINC000187125116 270067870 /nfs/dbraw/zinc/06/78/70/270067870.db2.gz AQBJXPKFYYSKRF-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)CN(C)C ZINC000527899846 270143090 /nfs/dbraw/zinc/14/30/90/270143090.db2.gz FZUYPBDWRKJIGD-ZUZCIYMTSA-N 1 3 284.806 3.254 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCNC34CCC4)C2)cc1 ZINC000530215465 270195890 /nfs/dbraw/zinc/19/58/90/270195890.db2.gz GNCPKLVJYURQEI-ZACQAIPSSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+][C@H]2CCNC23CCC3)C2CC2)cc1 ZINC000530222086 270196617 /nfs/dbraw/zinc/19/66/17/270196617.db2.gz QEVTYBFHIBGUNF-MSOLQXFVSA-N 1 3 284.447 3.190 20 0 CGADHO Cc1cccc([C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C(C)C)c1 ZINC000530226843 270196858 /nfs/dbraw/zinc/19/68/58/270196858.db2.gz UDNWTWANGAYZTF-DJIMGWMZSA-N 1 3 260.425 3.280 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000531932556 270210989 /nfs/dbraw/zinc/21/09/89/270210989.db2.gz REILDGIYZNZLHM-YCPHGPKFSA-N 1 3 252.446 3.418 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000531955135 270211348 /nfs/dbraw/zinc/21/13/48/270211348.db2.gz OKYMZHBJABCXOR-AEFFLSMTSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531955135 270211349 /nfs/dbraw/zinc/21/13/49/270211349.db2.gz OKYMZHBJABCXOR-AEFFLSMTSA-N 1 3 272.436 3.459 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000531955135 270211350 /nfs/dbraw/zinc/21/13/50/270211350.db2.gz OKYMZHBJABCXOR-AEFFLSMTSA-N 1 3 272.436 3.459 20 0 CGADHO CSCc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423103722 274178782 /nfs/dbraw/zinc/17/87/82/274178782.db2.gz GJWLUZLGMZJXQO-JKSUJKDBSA-N 1 3 278.465 3.157 20 0 CGADHO C[C@@H](CNC[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414893534 274224946 /nfs/dbraw/zinc/22/49/46/274224946.db2.gz RNAMRQGQQYTGEU-HZMBPMFUSA-N 1 3 286.341 3.136 20 0 CGADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000249439218 275391186 /nfs/dbraw/zinc/39/11/86/275391186.db2.gz LPUOVRWECJGQHX-JKSUJKDBSA-N 1 3 250.430 3.127 20 0 CGADHO C(CN1CCCCC1)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000249439218 275391187 /nfs/dbraw/zinc/39/11/87/275391187.db2.gz LPUOVRWECJGQHX-JKSUJKDBSA-N 1 3 250.430 3.127 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423394366 276019419 /nfs/dbraw/zinc/01/94/19/276019419.db2.gz RITODQJNWUBCOJ-ULQDDVLXSA-N 1 3 278.415 3.252 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414927740 276042479 /nfs/dbraw/zinc/04/24/79/276042479.db2.gz PJUNXXBQNMSWCZ-BBWFWOEESA-N 1 3 260.425 3.257 20 0 CGADHO CC[NH+](CC)CC1CCN(C/C=C\c2ccncc2)CC1 ZINC000495079005 276095438 /nfs/dbraw/zinc/09/54/38/276095438.db2.gz MBIYPIQOZUKECB-WAYWQWQTSA-N 1 3 287.451 3.149 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1SC ZINC000425338258 276105486 /nfs/dbraw/zinc/10/54/86/276105486.db2.gz AXGFKKUASXTNBB-JONQDZQNSA-N 1 3 284.513 3.371 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H]1SC ZINC000425338258 276105488 /nfs/dbraw/zinc/10/54/88/276105488.db2.gz AXGFKKUASXTNBB-JONQDZQNSA-N 1 3 284.513 3.371 20 0 CGADHO CCN(C/C=C\c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435378911 276310296 /nfs/dbraw/zinc/31/02/96/276310296.db2.gz ACPYKQMQSGPJGU-VGOKWCNXSA-N 1 3 276.399 3.303 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423170791 276467008 /nfs/dbraw/zinc/46/70/08/276467008.db2.gz YWKDBRXLHKMWSG-YYIAUSFCSA-N 1 3 282.472 3.235 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCN1CCCC1 ZINC000430695150 276473544 /nfs/dbraw/zinc/47/35/44/276473544.db2.gz GIVVZJMUJCDEES-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO COC(C)(C)[C@H](C)NCCC[N@H+](C)C1CCCCC1 ZINC000336809258 277178026 /nfs/dbraw/zinc/17/80/26/277178026.db2.gz ULMXJPVQBDRJFO-AWEZNQCLSA-N 1 3 270.461 3.044 20 0 CGADHO COC(C)(C)[C@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000336809258 277178030 /nfs/dbraw/zinc/17/80/30/277178030.db2.gz ULMXJPVQBDRJFO-AWEZNQCLSA-N 1 3 270.461 3.044 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)CCCC1 ZINC000421822477 277189920 /nfs/dbraw/zinc/18/99/20/277189920.db2.gz XFJFJMIDKWSUDX-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CNC[C@H](C)C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000414831242 277282450 /nfs/dbraw/zinc/28/24/50/277282450.db2.gz CTLAGTXYMSIBHI-UQPPLGOBSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CC(C)(C)C1 ZINC000021013442 278025622 /nfs/dbraw/zinc/02/56/22/278025622.db2.gz BYMJCTFYRHDLPO-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](CN1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528287 278194659 /nfs/dbraw/zinc/19/46/59/278194659.db2.gz YUQKIOVSWBJODW-KFGODFMUSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@@H](CN1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528287 278194661 /nfs/dbraw/zinc/19/46/61/278194661.db2.gz YUQKIOVSWBJODW-KFGODFMUSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CC[C@@H]2CCC[C@H]21)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528287 278194662 /nfs/dbraw/zinc/19/46/62/278194662.db2.gz YUQKIOVSWBJODW-KFGODFMUSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CC[C@@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528287 278194664 /nfs/dbraw/zinc/19/46/64/278194664.db2.gz YUQKIOVSWBJODW-KFGODFMUSA-N 1 3 276.468 3.371 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000397250861 288022078 /nfs/dbraw/zinc/02/20/78/288022078.db2.gz DERHPMJCNRKNRY-JKIFEVAISA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3cccnc32)C[C@H]1CN ZINC000397250861 288022080 /nfs/dbraw/zinc/02/20/80/288022080.db2.gz DERHPMJCNRKNRY-JKIFEVAISA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@H]1CN ZINC000397250861 288022081 /nfs/dbraw/zinc/02/20/81/288022081.db2.gz DERHPMJCNRKNRY-JKIFEVAISA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000397269639 288022592 /nfs/dbraw/zinc/02/25/92/288022592.db2.gz MECQVUCZYVNNNB-JKIFEVAISA-N 1 3 283.419 3.040 20 0 CGADHO CC[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc(C)c1 ZINC000423346862 288046633 /nfs/dbraw/zinc/04/66/33/288046633.db2.gz QKXTUMIJPGXSLD-IRXDYDNUSA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1cccc(C)c1 ZINC000423346862 288046636 /nfs/dbraw/zinc/04/66/36/288046636.db2.gz QKXTUMIJPGXSLD-IRXDYDNUSA-N 1 3 260.425 3.425 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423319131 278733647 /nfs/dbraw/zinc/73/36/47/278733647.db2.gz CXJZERCAGPWVJQ-INIZCTEOSA-N 1 3 254.462 3.427 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCNc1ccccc1 ZINC000422766469 279371918 /nfs/dbraw/zinc/37/19/18/279371918.db2.gz XJHAPQUZSHKZTJ-SJLPKXTDSA-N 1 3 289.467 3.389 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000521899458 288142890 /nfs/dbraw/zinc/14/28/90/288142890.db2.gz XFJDIQSPJKDXBW-MWNCTCPHSA-N 1 3 296.842 3.276 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC([C@H](C)[NH3+])CC1 ZINC000430954776 288154016 /nfs/dbraw/zinc/15/40/16/288154016.db2.gz GKPCWGADKHYGRL-MEDUHNTESA-N 1 3 282.378 3.475 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000344127081 288160108 /nfs/dbraw/zinc/16/01/08/288160108.db2.gz YSJZRYIDOWHNDQ-MLHJIOFPSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527630774 288177445 /nfs/dbraw/zinc/17/74/45/288177445.db2.gz HFQOQPOHHNZHIM-CQDKDKBSSA-N 1 3 264.457 3.320 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527641128 288179461 /nfs/dbraw/zinc/17/94/61/288179461.db2.gz KXUHUESJNIEDQH-FSDCSDTHSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527654485 288182797 /nfs/dbraw/zinc/18/27/97/288182797.db2.gz QMVFKLAEMXNUTL-MRXNPFEDSA-N 1 3 285.435 3.378 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNCC2)CC1 ZINC000414917743 279978008 /nfs/dbraw/zinc/97/80/08/279978008.db2.gz RBDHDWGRWOYQMS-PMPSAXMXSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422802364 280266186 /nfs/dbraw/zinc/26/61/86/280266186.db2.gz BGHGQIQJOZUOHP-CPUCHLNUSA-N 1 3 275.440 3.468 20 0 CGADHO Cc1cc(Br)cc2c1[C@H]([NH2+]CC(C)(C)N)CC2 ZINC000423290014 280308718 /nfs/dbraw/zinc/30/87/18/280308718.db2.gz ZADYUFCZPKPOGS-GFCCVEGCSA-N 1 3 297.240 3.072 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CCC34CCC4)CC2)ccn1 ZINC000281980683 280468837 /nfs/dbraw/zinc/46/88/37/280468837.db2.gz BXVOVVXIAJLTKB-KRWDZBQOSA-N 1 3 285.435 3.220 20 0 CGADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](C)C[NH3+])CCCO2 ZINC000423296848 280628608 /nfs/dbraw/zinc/62/86/08/280628608.db2.gz HTDPIKNCRNWEEV-BBRMVZONSA-N 1 3 276.424 3.208 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000252699262 281016631 /nfs/dbraw/zinc/01/66/31/281016631.db2.gz SEBPWTQTJNZIMN-TYNCELHUSA-N 1 3 266.816 3.460 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@H]1CC[NH2+]C[C@H]1C ZINC000423410028 281027507 /nfs/dbraw/zinc/02/75/07/281027507.db2.gz ZNWCFAFZOKJQOO-SKDZVZGDSA-N 1 3 297.446 3.441 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCNC[C@H]1C ZINC000423410028 281027511 /nfs/dbraw/zinc/02/75/11/281027511.db2.gz ZNWCFAFZOKJQOO-SKDZVZGDSA-N 1 3 297.446 3.441 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530207279 288299758 /nfs/dbraw/zinc/29/97/58/288299758.db2.gz CYEMYPGRMVZOQJ-DHIJGFHKSA-N 1 3 290.838 3.085 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530207279 288299759 /nfs/dbraw/zinc/29/97/59/288299759.db2.gz CYEMYPGRMVZOQJ-DHIJGFHKSA-N 1 3 290.838 3.085 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530176868 288294494 /nfs/dbraw/zinc/29/44/94/288294494.db2.gz DSOGJAIMPSVQOU-ULQDDVLXSA-N 1 3 270.420 3.197 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530178400 288295229 /nfs/dbraw/zinc/29/52/29/288295229.db2.gz KZXDTKJGBNUIHB-BBWFWOEESA-N 1 3 288.410 3.336 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179807 288296665 /nfs/dbraw/zinc/29/66/65/288296665.db2.gz YAIWFFMKYPFTLT-XJKSGUPXSA-N 1 3 276.399 3.021 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000166329840 281272135 /nfs/dbraw/zinc/27/21/35/281272135.db2.gz WZWPTLYLBAAQMA-KEYYUXOJSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166329840 281272136 /nfs/dbraw/zinc/27/21/36/281272136.db2.gz WZWPTLYLBAAQMA-KEYYUXOJSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@H](C)C[NH+]1CCCC1 ZINC000481318182 281273059 /nfs/dbraw/zinc/27/30/59/281273059.db2.gz GBDHJNYMCHCBDY-KBXCAEBGSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)CN1CCCC1 ZINC000481318182 281273062 /nfs/dbraw/zinc/27/30/62/281273062.db2.gz GBDHJNYMCHCBDY-KBXCAEBGSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000488773981 281309062 /nfs/dbraw/zinc/30/90/62/281309062.db2.gz HARAMVBBDMAEOK-IBGZPJMESA-N 1 3 295.430 3.384 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000488773981 281309063 /nfs/dbraw/zinc/30/90/63/281309063.db2.gz HARAMVBBDMAEOK-IBGZPJMESA-N 1 3 295.430 3.384 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000533531844 288385438 /nfs/dbraw/zinc/38/54/38/288385438.db2.gz KNSDOMKRHLSFES-QAPCUYQASA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000533531844 288385439 /nfs/dbraw/zinc/38/54/39/288385439.db2.gz KNSDOMKRHLSFES-QAPCUYQASA-N 1 3 274.452 3.411 20 0 CGADHO C[C@@]1(C[NH2+][C@H]2CCCC[C@@H]2CN)C[C@H]1c1ccccc1 ZINC000423140455 289175089 /nfs/dbraw/zinc/17/50/89/289175089.db2.gz YLHUXQZYNAZNMV-OWSLCNJRSA-N 1 3 272.436 3.287 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000562019659 289668272 /nfs/dbraw/zinc/66/82/72/289668272.db2.gz NVWZIDSMIWOJMT-FPCVCCKLSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCC(F)(F)CC1 ZINC000423372816 290011754 /nfs/dbraw/zinc/01/17/54/290011754.db2.gz HFFKKZCIZFLOFX-WCFLWFBJSA-N 1 3 260.372 3.060 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc2ccccc2n1 ZINC000423277241 290043162 /nfs/dbraw/zinc/04/31/62/290043162.db2.gz OBIBBDOMPIWTEQ-JOQOYGCGSA-N 1 3 283.419 3.403 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000070169673 290215862 /nfs/dbraw/zinc/21/58/62/290215862.db2.gz CDFZBTFQTSFGMB-VXGBXAGGSA-N 1 3 268.351 3.087 20 0 CGADHO NC1(C[NH2+]C2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000423529692 295209157 /nfs/dbraw/zinc/20/91/57/295209157.db2.gz QILKRTVUBQFWQE-UHFFFAOYSA-N 1 3 262.441 3.062 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000423276451 295238887 /nfs/dbraw/zinc/23/88/87/295238887.db2.gz MVXNEHQSIKTIKN-ZQIUZPCESA-N 1 3 276.424 3.172 20 0 CGADHO COc1ccc([C@H](N[C@@H]2CCC[NH2+]CC2)C(C)C)cc1 ZINC000422781796 295245781 /nfs/dbraw/zinc/24/57/81/295245781.db2.gz JHQNULITECFALF-NVXWUHKLSA-N 1 3 276.424 3.124 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000414806382 295248324 /nfs/dbraw/zinc/24/83/24/295248324.db2.gz QCZQOKFIUKUFSO-OTBWCIGPSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000261589302 297107403 /nfs/dbraw/zinc/10/74/03/297107403.db2.gz WGSKHGUMINWGPN-OCCSQVGLSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCNC[C@H]1C ZINC000423405401 302066763 /nfs/dbraw/zinc/06/67/63/302066763.db2.gz TWDCJKADCJSYBI-XOUADPBQSA-N 1 3 258.409 3.131 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)NC[C@@H]1CC[NH2+]C1 ZINC000420415798 302125783 /nfs/dbraw/zinc/12/57/83/302125783.db2.gz VHVATVJZZMISNB-NVXWUHKLSA-N 1 3 260.425 3.281 20 0 CGADHO Cc1cnccc1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358953440 302386900 /nfs/dbraw/zinc/38/69/00/302386900.db2.gz MWTVKHDKZPYWHB-XHSDSOJGSA-N 1 3 273.424 3.232 20 0 CGADHO Cc1cnccc1N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358953440 302386904 /nfs/dbraw/zinc/38/69/04/302386904.db2.gz MWTVKHDKZPYWHB-XHSDSOJGSA-N 1 3 273.424 3.232 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422796995 303407179 /nfs/dbraw/zinc/40/71/79/303407179.db2.gz KVJLSPHGWVEMRS-CWVYHPPDSA-N 1 3 250.430 3.062 20 0 CGADHO CC[NH2+]CCCN[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000564791875 322042994 /nfs/dbraw/zinc/04/29/94/322042994.db2.gz SLWWVCNCMZTRIZ-IRXDYDNUSA-N 1 3 260.425 3.086 20 0 CGADHO CCNCCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000564791875 322042996 /nfs/dbraw/zinc/04/29/96/322042996.db2.gz SLWWVCNCMZTRIZ-IRXDYDNUSA-N 1 3 260.425 3.086 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000565242275 322069951 /nfs/dbraw/zinc/06/99/51/322069951.db2.gz MHDNWHGDOGSFDI-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@H](Cc1ccsc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000565282537 322071499 /nfs/dbraw/zinc/07/14/99/322071499.db2.gz AHOVZCFFRNKVDV-ZFWWWQNUSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000565282537 322071501 /nfs/dbraw/zinc/07/15/01/322071501.db2.gz AHOVZCFFRNKVDV-ZFWWWQNUSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000565282537 322071503 /nfs/dbraw/zinc/07/15/03/322071503.db2.gz AHOVZCFFRNKVDV-ZFWWWQNUSA-N 1 3 266.454 3.095 20 0 CGADHO CC(C)NCCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000565944993 322097767 /nfs/dbraw/zinc/09/77/67/322097767.db2.gz VCVKBFBEUJNRQM-LLVKDONJSA-N 1 3 254.340 3.085 20 0 CGADHO C[C@H]([C@@H]1CCCNC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000566062635 322102497 /nfs/dbraw/zinc/10/24/97/322102497.db2.gz UWPZBPVUSQXNCL-VQIMIIECSA-N 1 3 286.463 3.329 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c(C)c1 ZINC000566529514 322128534 /nfs/dbraw/zinc/12/85/34/322128534.db2.gz MAKLEFZMWGMWKF-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c(C)c1 ZINC000566529514 322128536 /nfs/dbraw/zinc/12/85/36/322128536.db2.gz MAKLEFZMWGMWKF-IBGZPJMESA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cccc(C)c1CNCc1ccc(C[NH3+])cc1 ZINC000566561327 322129649 /nfs/dbraw/zinc/12/96/49/322129649.db2.gz GYQTWDAAUFIDKT-UHFFFAOYSA-N 1 3 254.377 3.052 20 0 CGADHO NC[C@H](C[N@@H+]1CCCc2ccccc2C1)c1ccc(F)cc1 ZINC000568382462 322206976 /nfs/dbraw/zinc/20/69/76/322206976.db2.gz RAOBCHYTCWZODH-GOSISDBHSA-N 1 3 298.405 3.316 20 0 CGADHO NC[C@H](C[N@H+]1CCCc2ccccc2C1)c1ccc(F)cc1 ZINC000568382462 322206978 /nfs/dbraw/zinc/20/69/78/322206978.db2.gz RAOBCHYTCWZODH-GOSISDBHSA-N 1 3 298.405 3.316 20 0 CGADHO C[C@@H]1c2c(F)cccc2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000568611139 322215626 /nfs/dbraw/zinc/21/56/26/322215626.db2.gz KVUMEGXQKRSQSK-ZIAGYGMSSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](CC1CC1)c1ccccc1 ZINC000569713234 322254994 /nfs/dbraw/zinc/25/49/94/322254994.db2.gz UVVXGYBDSCRZHL-XYPHTWIQSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000569713234 322254995 /nfs/dbraw/zinc/25/49/95/322254995.db2.gz UVVXGYBDSCRZHL-XYPHTWIQSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H](CC1CC1)c1ccccc1 ZINC000569713230 322255147 /nfs/dbraw/zinc/25/51/47/322255147.db2.gz UVVXGYBDSCRZHL-KBRIMQKVSA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000569713230 322255148 /nfs/dbraw/zinc/25/51/48/322255148.db2.gz UVVXGYBDSCRZHL-KBRIMQKVSA-N 1 3 258.409 3.115 20 0 CGADHO [NH3+]CC12CCC(CC1)CN2[C@@H]1CCCc2ccccc21 ZINC000569744747 322255954 /nfs/dbraw/zinc/25/59/54/322255954.db2.gz PEGLNLGIBDZYGQ-ZCDVPAHGSA-N 1 3 270.420 3.267 20 0 CGADHO C[C@H]([NH2+]C1(CF)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000569811694 322257621 /nfs/dbraw/zinc/25/76/21/322257621.db2.gz UHOCCJLBSIMWBY-RDJZCZTQSA-N 1 3 290.426 3.379 20 0 CGADHO CC(C)CCC[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000570605069 322277529 /nfs/dbraw/zinc/27/75/29/322277529.db2.gz PCPDLSRRXCASRD-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)CCC[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000570605069 322277530 /nfs/dbraw/zinc/27/75/30/322277530.db2.gz PCPDLSRRXCASRD-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](c1cccc(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000572644065 322347963 /nfs/dbraw/zinc/34/79/63/322347963.db2.gz FVQZJTNWNRKWCA-XJKSGUPXSA-N 1 3 276.399 3.208 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2cc3ccccc3s2)C1 ZINC000573338823 322383497 /nfs/dbraw/zinc/38/34/97/322383497.db2.gz ZYGIJZOHQDMTFB-UONOGXRCSA-N 1 3 274.433 3.303 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cc3ccccc3s2)C1 ZINC000573338823 322383500 /nfs/dbraw/zinc/38/35/00/322383500.db2.gz ZYGIJZOHQDMTFB-UONOGXRCSA-N 1 3 274.433 3.303 20 0 CGADHO CC(C)COc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000584294903 327224806 /nfs/dbraw/zinc/22/48/06/327224806.db2.gz JQAJLCDFBIROOV-UHFFFAOYSA-N 1 3 290.451 3.282 20 0 CGADHO Cc1cccc(C)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000215403723 327233052 /nfs/dbraw/zinc/23/30/52/327233052.db2.gz FTRAHEJZJKLQTR-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1cccc(C)c1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000215403723 327233054 /nfs/dbraw/zinc/23/30/54/327233054.db2.gz FTRAHEJZJKLQTR-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)Cc1ccccc1 ZINC000582736444 329134005 /nfs/dbraw/zinc/13/40/05/329134005.db2.gz YZCWGEFUSVANLY-KSZLIROESA-N 1 3 274.452 3.361 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000216604302 329295356 /nfs/dbraw/zinc/29/53/56/329295356.db2.gz ORIPWRBBJPWTJZ-YVMONPNESA-N 1 3 258.409 3.021 20 0 CGADHO CC/C=C\CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000342236719 335178370 /nfs/dbraw/zinc/17/83/70/335178370.db2.gz SSXXTJOIZBPBGS-QGZUEGPWSA-N 1 3 250.430 3.293 20 0 CGADHO CC(C)COc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000576292129 335185140 /nfs/dbraw/zinc/18/51/40/335185140.db2.gz CWGXAEBJPGBNHP-DLBZAZTESA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000576292129 335185141 /nfs/dbraw/zinc/18/51/41/335185141.db2.gz CWGXAEBJPGBNHP-DLBZAZTESA-N 1 3 290.451 3.123 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000577512659 335363053 /nfs/dbraw/zinc/36/30/53/335363053.db2.gz DQHOWCNDUFVMAH-UHFFFAOYSA-N 1 3 296.414 3.224 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCC[C@H](CN)C2)C1 ZINC000581191195 336022010 /nfs/dbraw/zinc/02/20/10/336022010.db2.gz PKFBNWCJPWLCFI-NJAFHUGGSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H](CN)C2)C1 ZINC000581191195 336022012 /nfs/dbraw/zinc/02/20/12/336022012.db2.gz PKFBNWCJPWLCFI-NJAFHUGGSA-N 1 3 272.436 3.168 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000385777643 336156434 /nfs/dbraw/zinc/15/64/34/336156434.db2.gz BSZIIUKUJMVIGV-OOJKYFRXSA-N 1 3 270.486 3.015 20 0 CGADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423438726 533729597 /nfs/dbraw/zinc/72/95/97/533729597.db2.gz RTDYZAVURYUAPF-TXPWEPMLSA-N 1 3 297.446 3.032 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCC[C@H]1CCC[NH2+]C1 ZINC000423264362 533884945 /nfs/dbraw/zinc/88/49/45/533884945.db2.gz YJPVQIWGCSKIID-CHWSQXEVSA-N 1 3 296.842 3.389 20 0 CGADHO C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)ccc1F ZINC000423427471 533909217 /nfs/dbraw/zinc/90/92/17/533909217.db2.gz QMZBVADEGGPPDD-AVGNSLFASA-N 1 3 282.378 3.381 20 0 CGADHO CSc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000423103094 534200030 /nfs/dbraw/zinc/20/00/30/534200030.db2.gz XNPCTLAINJASLK-GDBMZVCRSA-N 1 3 278.465 3.058 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424372954 534266837 /nfs/dbraw/zinc/26/68/37/534266837.db2.gz IXUCRUHFWOVVAY-APHBMKBZSA-N 1 3 272.392 3.223 20 0 CGADHO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000102421808 518414824 /nfs/dbraw/zinc/41/48/24/518414824.db2.gz JDVCTNRXQLOTMZ-HKBKRHGFSA-N 1 3 270.420 3.164 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000102421808 518414832 /nfs/dbraw/zinc/41/48/32/518414832.db2.gz JDVCTNRXQLOTMZ-HKBKRHGFSA-N 1 3 270.420 3.164 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000102421808 518414839 /nfs/dbraw/zinc/41/48/39/518414839.db2.gz JDVCTNRXQLOTMZ-HKBKRHGFSA-N 1 3 270.420 3.164 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1NCCCC1(C)C ZINC000423380149 534481153 /nfs/dbraw/zinc/48/11/53/534481153.db2.gz GZLXRMACKWHCHR-CHWSQXEVSA-N 1 3 266.454 3.485 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000149221137 520624586 /nfs/dbraw/zinc/62/45/86/520624586.db2.gz KIXZPZCWOKBZSM-QGZVFWFLSA-N 1 3 260.425 3.304 20 0 CGADHO CN(Cc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000055144470 523357029 /nfs/dbraw/zinc/35/70/29/523357029.db2.gz MUZBAVTXTFSUMJ-UHFFFAOYSA-N 1 3 297.240 3.151 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccccc1Br ZINC000309432663 524137170 /nfs/dbraw/zinc/13/71/70/524137170.db2.gz XWSMPVUTCHFHDI-LLVKDONJSA-N 1 3 285.229 3.056 20 0 CGADHO C[C@@H]([NH3+])C1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000339413595 524992375 /nfs/dbraw/zinc/99/23/75/524992375.db2.gz WNQKJGVJIYLFCQ-GFCCVEGCSA-N 1 3 298.833 3.471 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccco1 ZINC000089214940 525426337 /nfs/dbraw/zinc/42/63/37/525426337.db2.gz WEEFMRPSMYZQKV-CQSZACIVSA-N 1 3 285.391 3.242 20 0 CGADHO C(=C/c1ccccc1)\C[NH2+]C1CC(N2CCCCC2)C1 ZINC000366885262 527468042 /nfs/dbraw/zinc/46/80/42/527468042.db2.gz NEGJBYFAGGZZLO-JXMROGBWSA-N 1 3 270.420 3.306 20 0 CGADHO C(C[NH2+][C@@H]1CC[C@H]1C1CC1)NC1CCCCCC1 ZINC000423275580 527483717 /nfs/dbraw/zinc/48/37/17/527483717.db2.gz LUNRVIUECZPQRH-JKSUJKDBSA-N 1 3 250.430 3.077 20 0 CGADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000365973344 527489121 /nfs/dbraw/zinc/48/91/21/527489121.db2.gz VRNAZWOFGHXKCV-INIZCTEOSA-N 1 3 296.524 3.374 20 0 CGADHO CCN(C)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449106093 527800480 /nfs/dbraw/zinc/80/04/80/527800480.db2.gz GJTFJPYLWZJWDZ-UHFFFAOYSA-N 1 3 297.531 3.207 20 0 CGADHO CC1(C)[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1Oc1ccccc1 ZINC000424375793 527829539 /nfs/dbraw/zinc/82/95/39/527829539.db2.gz OANRVLIKLIARGW-NCOADZHNSA-N 1 3 288.435 3.092 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000365196621 528112764 /nfs/dbraw/zinc/11/27/64/528112764.db2.gz BAKWRWZDSAUWMA-ROUUACIJSA-N 1 3 290.451 3.086 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1ccccn1 ZINC000411556165 528171400 /nfs/dbraw/zinc/17/14/00/528171400.db2.gz XNJOLMBDFQRNKF-WMZOPIPTSA-N 1 3 289.467 3.114 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000411556165 528171404 /nfs/dbraw/zinc/17/14/04/528171404.db2.gz XNJOLMBDFQRNKF-WMZOPIPTSA-N 1 3 289.467 3.114 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423283736 528203035 /nfs/dbraw/zinc/20/30/35/528203035.db2.gz XLQOYQWVOXQYLX-CZUORRHYSA-N 1 3 264.413 3.108 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449088706 528254816 /nfs/dbraw/zinc/25/48/16/528254816.db2.gz BUQGBRLYNBOXNY-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)Sc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423295537 528329138 /nfs/dbraw/zinc/32/91/38/528329138.db2.gz FBQFZSUBFAWGJP-CHWSQXEVSA-N 1 3 266.454 3.433 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccs1 ZINC000423399088 528573185 /nfs/dbraw/zinc/57/31/85/528573185.db2.gz PJOMBMGGVXDFHH-MCIONIFRSA-N 1 3 266.454 3.423 20 0 CGADHO CC(C)C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccs1 ZINC000423399088 528573187 /nfs/dbraw/zinc/57/31/87/528573187.db2.gz PJOMBMGGVXDFHH-MCIONIFRSA-N 1 3 266.454 3.423 20 0 CGADHO CCCOCc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422693558 528598050 /nfs/dbraw/zinc/59/80/50/528598050.db2.gz MGIRRTVKEBOAOZ-QAPCUYQASA-N 1 3 290.451 3.220 20 0 CGADHO CCCCOc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1OC ZINC000423297417 528690463 /nfs/dbraw/zinc/69/04/63/528690463.db2.gz KFMJQGYHKAEUEQ-KGLIPLIRSA-N 1 3 294.439 3.120 20 0 CGADHO CCCC[C@@H](CN)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423297671 528822459 /nfs/dbraw/zinc/82/24/59/528822459.db2.gz LHORTLNYUHBVJV-GXTWGEPZSA-N 1 3 282.428 3.470 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000423283246 528951361 /nfs/dbraw/zinc/95/13/61/528951361.db2.gz FBCDYPOUYJFVCI-MRXNPFEDSA-N 1 3 278.440 3.499 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423287431 528954536 /nfs/dbraw/zinc/95/45/36/528954536.db2.gz MFQQDEBDHQADRN-ZBFHGGJFSA-N 1 3 275.440 3.215 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1cccc(F)c1 ZINC000166427358 529161628 /nfs/dbraw/zinc/16/16/28/529161628.db2.gz CUXVCQUMNKLMQH-MRXNPFEDSA-N 1 3 264.388 3.352 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)cc1 ZINC000424334220 529202485 /nfs/dbraw/zinc/20/24/85/529202485.db2.gz NHOGYOGUKGFGAC-RBSFLKMASA-N 1 3 250.361 3.136 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)C1 ZINC000480236057 534945853 /nfs/dbraw/zinc/94/58/53/534945853.db2.gz YNWITRCBWYYMKJ-OLZOCXBDSA-N 1 3 280.378 3.429 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1C1CC1)CN1CCCC1 ZINC000477922308 535153460 /nfs/dbraw/zinc/15/34/60/535153460.db2.gz ZTSRSYRMSWFTOD-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649242 535804687 /nfs/dbraw/zinc/80/46/87/535804687.db2.gz JWTTZLZLOIUCMP-KBXCAEBGSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649242 535804688 /nfs/dbraw/zinc/80/46/88/535804688.db2.gz JWTTZLZLOIUCMP-KBXCAEBGSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CCCCC[C@@H]2N)C1 ZINC000422904563 535819950 /nfs/dbraw/zinc/81/99/50/535819950.db2.gz GYIAKBVZBJMRQN-IXDOHACOSA-N 1 3 295.515 3.137 20 0 CGADHO COc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000459730275 536890706 /nfs/dbraw/zinc/89/07/06/536890706.db2.gz KCZRTEXASJPFBO-ZDUSSCGKSA-N 1 3 296.842 3.170 20 0 CGADHO COc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000459730275 536890709 /nfs/dbraw/zinc/89/07/09/536890709.db2.gz KCZRTEXASJPFBO-ZDUSSCGKSA-N 1 3 296.842 3.170 20 0 CGADHO Cc1cc(C)c(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166220718 572354871 /nfs/dbraw/zinc/35/48/71/572354871.db2.gz IKUDQHQKMFKBJC-QZTJIDSGSA-N 1 3 286.463 3.371 20 0 CGADHO Cc1cc(C)c(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166220718 572354874 /nfs/dbraw/zinc/35/48/74/572354874.db2.gz IKUDQHQKMFKBJC-QZTJIDSGSA-N 1 3 286.463 3.371 20 0 CGADHO C[C@@H](NCc1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC000396454719 572485309 /nfs/dbraw/zinc/48/53/09/572485309.db2.gz XREIDFZKYDSOHN-LLVKDONJSA-N 1 3 284.806 3.299 20 0 CGADHO C[NH+]1CCC(CN2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000892120458 618542276 /nfs/dbraw/zinc/54/22/76/618542276.db2.gz LTEUCMULVASSCP-MRXNPFEDSA-N 1 3 278.827 3.429 20 0 CGADHO CSC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCCCC1 ZINC000235116073 618654370 /nfs/dbraw/zinc/65/43/70/618654370.db2.gz KIDYQUIFLAFHPD-KGLIPLIRSA-N 1 3 270.486 3.159 20 0 CGADHO COc1ccc2nccc(N3CCC([NH2+]C(C)C)CC3)c2c1 ZINC000892286345 618656869 /nfs/dbraw/zinc/65/68/69/618656869.db2.gz JKKPCQUBRTVWJB-UHFFFAOYSA-N 1 3 299.418 3.210 20 0 CGADHO [NH3+]C[C@@H](Nc1ccnc2ccccc21)C1CCCC1 ZINC000236177995 618845945 /nfs/dbraw/zinc/84/59/45/618845945.db2.gz LGDWGIRGRILZTL-MRXNPFEDSA-N 1 3 255.365 3.164 20 0 CGADHO COc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000892589737 618869102 /nfs/dbraw/zinc/86/91/02/618869102.db2.gz OQXLLJKCXHOYBS-HUUCEWRRSA-N 1 3 294.439 3.136 20 0 CGADHO Fc1ccccc1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925508920 619002366 /nfs/dbraw/zinc/00/23/66/619002366.db2.gz JVBHSQPRYSKNJJ-WMZOPIPTSA-N 1 3 290.426 3.126 20 0 CGADHO Fc1ccccc1CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925508920 619002368 /nfs/dbraw/zinc/00/23/68/619002368.db2.gz JVBHSQPRYSKNJJ-WMZOPIPTSA-N 1 3 290.426 3.126 20 0 CGADHO C(COC1CCCCC1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925599573 619080800 /nfs/dbraw/zinc/08/08/00/619080800.db2.gz BXOAUZZXTHAABQ-QZTJIDSGSA-N 1 3 294.483 3.094 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCCc3occc32)C1 ZINC000925606553 619083004 /nfs/dbraw/zinc/08/30/04/619083004.db2.gz ODWFGYIWIRFTJB-BZPMIXESSA-N 1 3 262.397 3.153 20 0 CGADHO FC1(F)CC(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925683969 619132274 /nfs/dbraw/zinc/13/22/74/619132274.db2.gz CHWCZVUOYCXFMR-GJZGRUSLSA-N 1 3 286.410 3.180 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)cc1 ZINC000925779722 619242409 /nfs/dbraw/zinc/24/24/09/619242409.db2.gz PDQZJTOETWJYTL-CMPLNLGQSA-N 1 3 288.769 3.235 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)N)c1ccc(Br)cc1 ZINC000261588598 619290268 /nfs/dbraw/zinc/29/02/68/619290268.db2.gz SLDCBQNSDIGMRC-LBPRGKRZSA-N 1 3 285.229 3.227 20 0 CGADHO C[C@H](CC[NH2+]Cc1cccc(-c2cccnc2)c1)N(C)C ZINC000895297308 619800004 /nfs/dbraw/zinc/80/00/04/619800004.db2.gz KGONHIGONRXEJP-OAHLLOKOSA-N 1 3 283.419 3.178 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000895822611 619890601 /nfs/dbraw/zinc/89/06/01/619890601.db2.gz OUWJLLTWGYKFSI-HNNXBMFYSA-N 1 3 282.497 3.222 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902467623 621339748 /nfs/dbraw/zinc/33/97/48/621339748.db2.gz PUEJXSWZKAASND-APVVIDPYSA-N 1 3 278.827 3.315 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902483284 621352645 /nfs/dbraw/zinc/35/26/45/621352645.db2.gz QMWUIPWPOIQIGF-KKUMJFAQSA-N 1 3 256.409 3.027 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000903059932 621548985 /nfs/dbraw/zinc/54/89/85/621548985.db2.gz XQFJPTKVXVSQLW-RCCFBDPRSA-N 1 3 294.483 3.046 20 0 CGADHO C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000903060085 621549732 /nfs/dbraw/zinc/54/97/32/621549732.db2.gz ZVCDYTARHBEBJM-FJIDUMEYSA-N 1 3 276.468 3.277 20 0 CGADHO FC1(F)CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903178921 621614975 /nfs/dbraw/zinc/61/49/75/621614975.db2.gz JZWZIEQBRXGACU-YPRXJGMQSA-N 1 3 284.394 3.169 20 0 CGADHO FC1(F)CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178921 621614980 /nfs/dbraw/zinc/61/49/80/621614980.db2.gz JZWZIEQBRXGACU-YPRXJGMQSA-N 1 3 284.394 3.169 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000903169121 621618327 /nfs/dbraw/zinc/61/83/27/621618327.db2.gz ZDHWNZPDZDNTSM-SQWLQELKSA-N 1 3 264.457 3.275 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1CCCC12CCC2)c1cccnc1 ZINC000903378969 621721595 /nfs/dbraw/zinc/72/15/95/621721595.db2.gz UCZVDGZDWDYXAW-SJORKVTESA-N 1 3 287.451 3.387 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381183 621722605 /nfs/dbraw/zinc/72/26/05/621722605.db2.gz SNIVVAIOPWNZIT-KSZLIROESA-N 1 3 289.467 3.489 20 0 CGADHO CCC(C)(C)[C@@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381804 621723566 /nfs/dbraw/zinc/72/35/66/621723566.db2.gz YWRJEGDNOGPLDA-ZBFHGGJFSA-N 1 3 277.456 3.489 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN(Cc2ccc(F)cc2F)C2CC2)C1 ZINC000903430997 621744656 /nfs/dbraw/zinc/74/46/56/621744656.db2.gz CEPXYKVNQQNJRJ-SMDDNHRTSA-N 1 3 280.362 3.057 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903424935 621751641 /nfs/dbraw/zinc/75/16/41/621751641.db2.gz MISJQDWPFSSYRA-LCGIIJARSA-N 1 3 294.389 3.095 20 0 CGADHO C[C@H](NC/C=C/Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000903443377 621754525 /nfs/dbraw/zinc/75/45/25/621754525.db2.gz GXDQCIYKFBDQOK-LJLILKBBSA-N 1 3 282.815 3.030 20 0 CGADHO Cc1nc(C)c(CN2CCCC[C@H]2C2(C[NH3+])CCC2)s1 ZINC000903811844 621814169 /nfs/dbraw/zinc/81/41/69/621814169.db2.gz OOJOBJOGMBRLBH-HNNXBMFYSA-N 1 3 293.480 3.243 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H](N)CC(F)F)C1 ZINC000903910528 621831951 /nfs/dbraw/zinc/83/19/51/621831951.db2.gz NBXDWPRTZYLDJQ-WBVHZDCISA-N 1 3 296.405 3.314 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](N)CC(F)F)C1 ZINC000903910528 621831954 /nfs/dbraw/zinc/83/19/54/621831954.db2.gz NBXDWPRTZYLDJQ-WBVHZDCISA-N 1 3 296.405 3.314 20 0 CGADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903955300 621843123 /nfs/dbraw/zinc/84/31/23/621843123.db2.gz ORGHTZMEKZTZES-HNNXBMFYSA-N 1 3 282.378 3.144 20 0 CGADHO CCN(CCc1cccs1)C[C@]1(C)CCC[NH2+]C1 ZINC000904309343 621902864 /nfs/dbraw/zinc/90/28/64/621902864.db2.gz IEOALCVRXZRKAD-OAHLLOKOSA-N 1 3 266.454 3.002 20 0 CGADHO Cc1ncsc1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904415986 621920360 /nfs/dbraw/zinc/92/03/60/621920360.db2.gz DIPNPYGDHZTRGG-CQSZACIVSA-N 1 3 293.480 3.053 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCSc2ccccc21 ZINC000227125181 623008862 /nfs/dbraw/zinc/00/88/62/623008862.db2.gz GLSYEOAXPLLOHU-AEGPPILISA-N 1 3 276.449 3.331 20 0 CGADHO CN(Cc1cc(F)ccc1Cl)C1CCC([NH3+])CC1 ZINC000124543700 634388066 /nfs/dbraw/zinc/38/80/66/634388066.db2.gz KNVXKODOZYIZFD-UHFFFAOYSA-N 1 3 270.779 3.181 20 0 CGADHO C[NH+](C)CCOc1ccc(CNC(C)(C)/C=C\Cl)cc1 ZINC000922647891 626024543 /nfs/dbraw/zinc/02/45/43/626024543.db2.gz DOCIDSMMNVWKOL-KTKRTIGZSA-N 1 3 296.842 3.248 20 0 CGADHO CCc1cnc(CNC2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922846205 626057805 /nfs/dbraw/zinc/05/78/05/626057805.db2.gz XECMUBOZYUQPNT-UHFFFAOYSA-N 1 3 293.480 3.202 20 0 CGADHO C[C@@H]1COCC[C@@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000762652148 627119225 /nfs/dbraw/zinc/11/92/25/627119225.db2.gz WAJCOYUHJOFSSU-QAPCUYQASA-N 1 3 294.483 3.046 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299371 628480421 /nfs/dbraw/zinc/48/04/21/628480421.db2.gz RVWVTTWEZHDNMA-LMMKCTJWSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299371 628480422 /nfs/dbraw/zinc/48/04/22/628480422.db2.gz RVWVTTWEZHDNMA-LMMKCTJWSA-N 1 3 284.447 3.133 20 0 CGADHO C[C@H]1C[N@H+](CCCN2CCCCC2)Cc2ccccc21 ZINC000781885809 628602181 /nfs/dbraw/zinc/60/21/81/628602181.db2.gz WGQMMAGGPCDVAU-INIZCTEOSA-N 1 3 272.436 3.482 20 0 CGADHO C[C@H]1C[N@@H+](CCCN2CCCCC2)Cc2ccccc21 ZINC000781885809 628602185 /nfs/dbraw/zinc/60/21/85/628602185.db2.gz WGQMMAGGPCDVAU-INIZCTEOSA-N 1 3 272.436 3.482 20 0 CGADHO C[NH+]1CCC(CN(Cc2ccccc2F)C2CC2)CC1 ZINC000788469004 629056939 /nfs/dbraw/zinc/05/69/39/629056939.db2.gz DKAQJLAASJICML-UHFFFAOYSA-N 1 3 276.399 3.132 20 0 CGADHO C1CC2(C1)NCC[C@H]2[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000863481473 629588464 /nfs/dbraw/zinc/58/84/64/629588464.db2.gz DSNQFUOBURLXRC-ZJIFWQFVSA-N 1 3 262.441 3.220 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777723 634791721 /nfs/dbraw/zinc/79/17/21/634791721.db2.gz VBGRHDIVNMUTJG-SJORKVTESA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2C)[C@H](C)C1 ZINC000125777723 634791725 /nfs/dbraw/zinc/79/17/25/634791725.db2.gz VBGRHDIVNMUTJG-SJORKVTESA-N 1 3 290.451 3.036 20 0 CGADHO C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648550 632035885 /nfs/dbraw/zinc/03/58/85/632035885.db2.gz MAQGKZURLWNCMY-HOTGVXAUSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000816648550 632035889 /nfs/dbraw/zinc/03/58/89/632035889.db2.gz MAQGKZURLWNCMY-HOTGVXAUSA-N 1 3 274.452 3.485 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902779 632232935 /nfs/dbraw/zinc/23/29/35/632232935.db2.gz YAICEXVHJBGDGY-LSDHHAIUSA-N 1 3 287.794 3.012 20 0 CGADHO N[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)c2ccccc21 ZINC000817902779 632232940 /nfs/dbraw/zinc/23/29/40/632232940.db2.gz YAICEXVHJBGDGY-LSDHHAIUSA-N 1 3 287.794 3.012 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817905269 632233168 /nfs/dbraw/zinc/23/31/68/632233168.db2.gz LQUXOEBIOSHVBZ-GUDVDZBRSA-N 1 3 298.430 3.123 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000817979927 632270414 /nfs/dbraw/zinc/27/04/14/632270414.db2.gz QDJNARIWIJFYGW-MWLCHTKSSA-N 1 3 274.380 3.389 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584192 633204186 /nfs/dbraw/zinc/20/41/86/633204186.db2.gz NKAMVIPLOOHGCZ-ZMSDIMECSA-N 1 3 258.409 3.082 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584192 633204189 /nfs/dbraw/zinc/20/41/89/633204189.db2.gz NKAMVIPLOOHGCZ-ZMSDIMECSA-N 1 3 258.409 3.082 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000872017396 633938523 /nfs/dbraw/zinc/93/85/23/633938523.db2.gz AVNRHSWYCDTQPW-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)CN1CCCCC1 ZINC000872025820 633946042 /nfs/dbraw/zinc/94/60/42/633946042.db2.gz UHRWWWBUJBTKPG-IKGGRYGDSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)CN1CCCC1 ZINC000872066832 633990127 /nfs/dbraw/zinc/99/01/27/633990127.db2.gz RSKPQGYQTMEXHA-CVEARBPZSA-N 1 3 296.499 3.292 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCc2cccc3ncccc23)[C@@H](C)C1 ZINC000872124167 634046856 /nfs/dbraw/zinc/04/68/56/634046856.db2.gz GBGYKUYJPPOGDB-WMLDXEAASA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@@H](NCc2cccc3ncccc23)[C@@H](C)C1 ZINC000872124167 634046861 /nfs/dbraw/zinc/04/68/61/634046861.db2.gz GBGYKUYJPPOGDB-WMLDXEAASA-N 1 3 283.419 3.055 20 0 CGADHO C(CN1CCC[C@H](OC2CCC2)CC1)C[NH+]1CCCCC1 ZINC000872278904 634099284 /nfs/dbraw/zinc/09/92/84/634099284.db2.gz BFFGDZRKMNCKCP-SFHVURJKSA-N 1 3 294.483 3.286 20 0 CGADHO C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccccn1 ZINC000019913246 634375379 /nfs/dbraw/zinc/37/53/79/634375379.db2.gz WWUNTKLXFYZGIA-INIZCTEOSA-N 1 3 283.419 3.254 20 0 CGADHO CSC(C)(C)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811976 634904414 /nfs/dbraw/zinc/90/44/14/634904414.db2.gz PCBHYHVYZHLCHJ-GDBMZVCRSA-N 1 3 296.524 3.467 20 0 CGADHO CSC(C)(C)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876811976 634904416 /nfs/dbraw/zinc/90/44/16/634904416.db2.gz PCBHYHVYZHLCHJ-GDBMZVCRSA-N 1 3 296.524 3.467 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942908 634934077 /nfs/dbraw/zinc/93/40/77/634934077.db2.gz ILOXLVJTGYMWJW-OAGGEKHMSA-N 1 3 294.483 3.044 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1nc(Cl)cs1 ZINC000877142108 635000380 /nfs/dbraw/zinc/00/03/80/635000380.db2.gz KHTWYJNCYWDYNN-NSHDSACASA-N 1 3 289.876 3.397 20 0 CGADHO COc1ccccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000877685374 635146627 /nfs/dbraw/zinc/14/66/27/635146627.db2.gz WVWUQNUEGQNJAV-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO Cc1csc(CN(CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000877767885 635194290 /nfs/dbraw/zinc/19/42/90/635194290.db2.gz XZHYHZNMCXAIDY-UHFFFAOYSA-N 1 3 295.496 3.251 20 0 CGADHO [NH3+]CCCCCCCN1CCc2ccc(F)cc2C1 ZINC000842476947 635379843 /nfs/dbraw/zinc/37/98/43/635379843.db2.gz XYLDIDWPTBHLMS-UHFFFAOYSA-N 1 3 264.388 3.093 20 0 CGADHO Cc1nc(CN(CC(C)C)CC2CC[NH+](C)CC2)oc1C ZINC000879702570 635839095 /nfs/dbraw/zinc/83/90/95/635839095.db2.gz QKHRSKNJIKVAPQ-UHFFFAOYSA-N 1 3 293.455 3.091 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000844923495 635985378 /nfs/dbraw/zinc/98/53/78/635985378.db2.gz GXLIGMNYHJYGHE-AWEZNQCLSA-N 1 3 296.414 3.192 20 0 CGADHO Cc1ccc(NC(=[NH2+])NCCN2CCCC2(C)C)cc1C ZINC000849039465 636727774 /nfs/dbraw/zinc/72/77/74/636727774.db2.gz ZVXAMUMREJTBFS-UHFFFAOYSA-N 1 3 288.439 3.114 20 0 CGADHO CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1(N(C)C)CCCC1 ZINC000849056801 636733873 /nfs/dbraw/zinc/73/38/73/636733873.db2.gz QZGXEETUSTYELR-OAHLLOKOSA-N 1 3 296.503 3.190 20 0 CGADHO N[C@@H]1CCCCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438429 636757157 /nfs/dbraw/zinc/75/71/57/636757157.db2.gz SJRGSZRXUWBAED-KURKYZTESA-N 1 3 288.435 3.110 20 0 CGADHO N[C@@H]1CCCCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883438429 636757163 /nfs/dbraw/zinc/75/71/63/636757163.db2.gz SJRGSZRXUWBAED-KURKYZTESA-N 1 3 288.435 3.110 20 0 CGADHO N[C@@H]1CCCCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883437844 636757176 /nfs/dbraw/zinc/75/71/76/636757176.db2.gz CJJLGKAMROHITN-CHWSQXEVSA-N 1 3 260.372 3.015 20 0 CGADHO N[C@@H]1CCCCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883437844 636757183 /nfs/dbraw/zinc/75/71/83/636757183.db2.gz CJJLGKAMROHITN-CHWSQXEVSA-N 1 3 260.372 3.015 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850422366 637056195 /nfs/dbraw/zinc/05/61/95/637056195.db2.gz NMCDVOLIXZKPDL-HNNXBMFYSA-N 1 3 288.435 3.148 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000885969160 637337662 /nfs/dbraw/zinc/33/76/62/637337662.db2.gz LQNKEYSUUWGZME-YESZJQIVSA-N 1 3 282.472 3.044 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617285 637608549 /nfs/dbraw/zinc/60/85/49/637608549.db2.gz JLRICEFSTKXBPC-MJBXVCDLSA-N 1 3 290.373 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617285 637608555 /nfs/dbraw/zinc/60/85/55/637608555.db2.gz JLRICEFSTKXBPC-MJBXVCDLSA-N 1 3 290.373 3.135 20 0 CGADHO CC/C=C/CC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886715841 637669352 /nfs/dbraw/zinc/66/93/52/637669352.db2.gz GHRWQEYPGNDPTB-AATRIKPKSA-N 1 3 250.430 3.293 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000853248411 637793398 /nfs/dbraw/zinc/79/33/98/637793398.db2.gz GACMFEJKBSRRMW-CZUORRHYSA-N 1 3 276.424 3.036 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222927207 637834162 /nfs/dbraw/zinc/83/41/62/637834162.db2.gz YQQJVOSLGNVYQJ-NUEKZKHPSA-N 1 3 276.424 3.394 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222545 638025709 /nfs/dbraw/zinc/02/57/09/638025709.db2.gz ILRGMHXAHDIIBY-ZJPYXAASSA-N 1 3 272.436 3.156 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000854230749 638028529 /nfs/dbraw/zinc/02/85/29/638028529.db2.gz XRJFXKVPBXCPOV-IUODEOHRSA-N 1 3 252.377 3.158 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924570604 638364515 /nfs/dbraw/zinc/36/45/15/638364515.db2.gz QJXDBNGSVOAZOJ-AWEZNQCLSA-N 1 3 290.451 3.049 20 0 CGADHO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccns1 ZINC000925085474 638449071 /nfs/dbraw/zinc/44/90/71/638449071.db2.gz HRWUVCJVOUYTLT-AAEUAGOBSA-N 1 3 269.458 3.160 20 0 CGADHO CCc1cnccc1[C@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925630255 638549449 /nfs/dbraw/zinc/54/94/49/638549449.db2.gz OUOUATPSFZAZLF-AEGPPILISA-N 1 3 275.440 3.201 20 0 CGADHO CC(C)(C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)(F)F ZINC000925716557 638577671 /nfs/dbraw/zinc/57/76/71/638577671.db2.gz PCBBDFUDFHDQFO-WOPDTQHZSA-N 1 3 292.389 3.331 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc3cccnc3c2)C1 ZINC000925724449 638582956 /nfs/dbraw/zinc/58/29/56/638582956.db2.gz BDSUMMRMKLJCOG-HOTGVXAUSA-N 1 3 283.419 3.230 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000925732506 638587682 /nfs/dbraw/zinc/58/76/82/638587682.db2.gz CDBDTXPCXLVLIL-SNVBAGLBSA-N 1 3 285.382 3.181 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC(F)F ZINC000925734274 638587749 /nfs/dbraw/zinc/58/77/49/638587749.db2.gz PUJSIIDOJUQAAO-KBPBESRZSA-N 1 3 288.426 3.426 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccsc1 ZINC000925778901 638610655 /nfs/dbraw/zinc/61/06/55/638610655.db2.gz UYPQIIXFYHODHP-NWDGAFQWSA-N 1 3 274.380 3.034 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000858100069 638628018 /nfs/dbraw/zinc/62/80/18/638628018.db2.gz IUCZDPJEOCTKIZ-INIZCTEOSA-N 1 3 290.451 3.436 20 0 CGADHO CC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccs1 ZINC000925839780 638628248 /nfs/dbraw/zinc/62/82/48/638628248.db2.gz DVUUXUGIPPLWRQ-BPLDGKMQSA-N 1 3 264.438 3.321 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCCC[C@H]1CCCO)N1CCCCC1 ZINC000926144343 638721272 /nfs/dbraw/zinc/72/12/72/638721272.db2.gz OPAVOSWUWZXNOS-SQNIBIBYSA-N 1 3 296.499 3.172 20 0 CGADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276713 638758429 /nfs/dbraw/zinc/75/84/29/638758429.db2.gz ZOHYVVFEZHGLTH-WBVHZDCISA-N 1 3 284.488 3.028 20 0 CGADHO Cc1ncccc1CN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926760743 638808149 /nfs/dbraw/zinc/80/81/49/638808149.db2.gz OMSHOMPSBIFYDM-CQSZACIVSA-N 1 3 283.419 3.302 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1C[C@H]2C=C[C@@H]1CC2)c1cccnc1 ZINC000926897480 638822824 /nfs/dbraw/zinc/82/28/24/638822824.db2.gz JDXGQWRVFDBNEW-IDCNUPLLSA-N 1 3 285.435 3.019 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000927025309 638833215 /nfs/dbraw/zinc/83/32/15/638833215.db2.gz HHKAQNINDJLXQQ-NJAFHUGGSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)[NH+]1CCC(N(C)CCc2cccc(F)c2)CC1 ZINC000929469348 638927214 /nfs/dbraw/zinc/92/72/14/638927214.db2.gz AVIWEHOVMZVLHR-UHFFFAOYSA-N 1 3 278.415 3.173 20 0 CGADHO CN(C)C1(C)CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000931351001 639138599 /nfs/dbraw/zinc/13/85/99/639138599.db2.gz DKSIPULORPAVGL-QGZVFWFLSA-N 1 3 272.436 3.480 20 0 CGADHO CN(C)C1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC000931354641 639139913 /nfs/dbraw/zinc/13/99/13/639139913.db2.gz LSHQPPJEQMCKCU-UHFFFAOYSA-N 1 3 250.430 3.293 20 0 CGADHO C[C@H]1CN(CCCC(C)(F)F)CCN1c1cc[nH+]cc1 ZINC000931684108 639187993 /nfs/dbraw/zinc/18/79/93/639187993.db2.gz OLAUTISJZTZHJC-ZDUSSCGKSA-N 1 3 283.366 3.028 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2C)[C@@H](C)C1 ZINC000246964066 640702293 /nfs/dbraw/zinc/70/22/93/640702293.db2.gz VBGRHDIVNMUTJG-DLBZAZTESA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2C)[C@@H](C)C1 ZINC000246964066 640702298 /nfs/dbraw/zinc/70/22/98/640702298.db2.gz VBGRHDIVNMUTJG-DLBZAZTESA-N 1 3 290.451 3.036 20 0 CGADHO C[C@H](Cc1ccco1)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515146 640774418 /nfs/dbraw/zinc/77/44/18/640774418.db2.gz DLVCPQSYKBTFAD-KFWWJZLASA-N 1 3 264.413 3.111 20 0 CGADHO Cc1cnccc1Nc1ccc(C2CC[NH2+]CC2)cc1 ZINC001159107898 806041763 /nfs/dbraw/zinc/04/17/63/806041763.db2.gz XAVBKGKHXXXSBB-UHFFFAOYSA-N 1 3 267.376 3.023 20 0 CGADHO c1cc2c(c(Nc3ccnc(C4CC4)c3)c1)CC[NH2+]C2 ZINC001159365483 806087070 /nfs/dbraw/zinc/08/70/70/806087070.db2.gz IAMLVXXSOYGLCU-UHFFFAOYSA-N 1 3 265.360 3.348 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254454628 806406351 /nfs/dbraw/zinc/40/63/51/806406351.db2.gz DXOLGDCYPBXOEN-RBUKOAKNSA-N 1 3 286.463 3.396 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+](C)C[C@@H](C)CN ZINC001254491279 806415302 /nfs/dbraw/zinc/41/53/02/806415302.db2.gz SVTSZTGCYQKHAX-DOTOQJQBSA-N 1 3 262.441 3.315 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+](C)C[C@@H](C)CN ZINC001254491279 806415306 /nfs/dbraw/zinc/41/53/06/806415306.db2.gz SVTSZTGCYQKHAX-DOTOQJQBSA-N 1 3 262.441 3.315 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505922 806425477 /nfs/dbraw/zinc/42/54/77/806425477.db2.gz LXIAVQDUUJKWHL-HOCLYGCPSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505922 806425482 /nfs/dbraw/zinc/42/54/82/806425482.db2.gz LXIAVQDUUJKWHL-HOCLYGCPSA-N 1 3 278.827 3.401 20 0 CGADHO CN(Cc1cccc2cccnc21)[C@H]1CCC[N@H+](C)CC1 ZINC001254524006 806437987 /nfs/dbraw/zinc/43/79/87/806437987.db2.gz UNJUXOOTBABTBZ-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO CN(Cc1cccc2cccnc21)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524006 806437990 /nfs/dbraw/zinc/43/79/90/806437990.db2.gz UNJUXOOTBABTBZ-KRWDZBQOSA-N 1 3 283.419 3.151 20 0 CGADHO C[NH+](C)CCCCNc1ccc(F)c(CN2CCCC2)c1 ZINC001161736007 806438757 /nfs/dbraw/zinc/43/87/57/806438757.db2.gz KCIQCDYWTSXBEN-UHFFFAOYSA-N 1 3 293.430 3.175 20 0 CGADHO CC[N@@H+](Cc1ccccc1F)[C@H]1CCCN(C)CC1 ZINC001254527415 806443795 /nfs/dbraw/zinc/44/37/95/806443795.db2.gz XZLAZVAKGMADJD-HNNXBMFYSA-N 1 3 264.388 3.132 20 0 CGADHO CC[N@H+](Cc1ccccc1F)[C@H]1CCCN(C)CC1 ZINC001254527415 806443789 /nfs/dbraw/zinc/44/37/89/806443789.db2.gz XZLAZVAKGMADJD-HNNXBMFYSA-N 1 3 264.388 3.132 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001255307787 806603867 /nfs/dbraw/zinc/60/38/67/806603867.db2.gz GQPTULDNCFQXLV-GASCZTMLSA-N 1 3 264.457 3.229 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](C3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001255307787 806603871 /nfs/dbraw/zinc/60/38/71/806603871.db2.gz GQPTULDNCFQXLV-GASCZTMLSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CC=CCC1)CN1CCCCC1 ZINC000037997560 798883943 /nfs/dbraw/zinc/88/39/43/798883943.db2.gz HTSFPURPAXBKFS-CVEARBPZSA-N 1 3 250.430 3.054 20 0 CGADHO C1=CO[C@@H](CNCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000050267471 798894469 /nfs/dbraw/zinc/89/44/69/798894469.db2.gz NKZUETKUSMQYMS-QGZVFWFLSA-N 1 3 292.467 3.458 20 0 CGADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000389043837 799460035 /nfs/dbraw/zinc/46/00/35/799460035.db2.gz OBSQEZJYBZPPKK-CYBMUJFWSA-N 1 3 268.351 3.185 20 0 CGADHO CCCC[N@H+](C)CCCN[C@@H](C)Cc1ccccc1F ZINC001255831103 806761192 /nfs/dbraw/zinc/76/11/92/806761192.db2.gz IYFDRQTZZRSAHX-HNNXBMFYSA-N 1 3 280.431 3.468 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@@H](C)Cc1ccccc1F ZINC001255831103 806761196 /nfs/dbraw/zinc/76/11/96/806761196.db2.gz IYFDRQTZZRSAHX-HNNXBMFYSA-N 1 3 280.431 3.468 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC001255831103 806761200 /nfs/dbraw/zinc/76/12/00/806761200.db2.gz IYFDRQTZZRSAHX-HNNXBMFYSA-N 1 3 280.431 3.468 20 0 CGADHO [NH3+][C@H](CC(F)F)CN1CCC[C@H]1C1CCCCC1 ZINC000688809908 799756143 /nfs/dbraw/zinc/75/61/43/799756143.db2.gz SLSKZGIHBBYGCZ-OLZOCXBDSA-N 1 3 260.372 3.014 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@]23C[C@H]2CCCC3)c2ccccc21 ZINC000693588688 799813185 /nfs/dbraw/zinc/81/31/85/799813185.db2.gz TZQLWEMDJCEXAP-VZEFYGNVSA-N 1 3 256.393 3.301 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700817569 799879425 /nfs/dbraw/zinc/87/94/25/799879425.db2.gz VQXWWLJRLUUMJN-GDBMZVCRSA-N 1 3 278.415 3.078 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCOc1ccccc1C ZINC001255943153 806791840 /nfs/dbraw/zinc/79/18/40/806791840.db2.gz JHOGXUXESYJRMZ-KRWDZBQOSA-N 1 3 292.467 3.474 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CCC3(C2)CCCCC3)CCN1 ZINC000709444276 800008566 /nfs/dbraw/zinc/00/85/66/800008566.db2.gz BPTUCAMTYQYZLH-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CCC3(C2)CCCCC3)CCN1 ZINC000709444276 800008570 /nfs/dbraw/zinc/00/85/70/800008570.db2.gz BPTUCAMTYQYZLH-AWEZNQCLSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](c1ccc(F)cc1F)N(C)CCCCCC[NH3+] ZINC000710831234 800040104 /nfs/dbraw/zinc/04/01/04/800040104.db2.gz VKNAKRPHBXBZNK-LBPRGKRZSA-N 1 3 270.367 3.477 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCC12CCC2 ZINC001255955968 806798719 /nfs/dbraw/zinc/79/87/19/806798719.db2.gz YGHTUUXTDFLCBZ-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)CCN1 ZINC000714270801 800117698 /nfs/dbraw/zinc/11/76/98/800117698.db2.gz ZXZHRHJWYNHPIU-XUWVNRHRSA-N 1 3 264.457 3.466 20 0 CGADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716711541 800178367 /nfs/dbraw/zinc/17/83/67/800178367.db2.gz IFOZHAVJQNLKEZ-KSZLIROESA-N 1 3 272.436 3.285 20 0 CGADHO C[N@H+](Cc1cc2c(s1)CCNC2)C1(C)CCCC1 ZINC000720366418 800257124 /nfs/dbraw/zinc/25/71/24/800257124.db2.gz LZLFBGLOFCWGGJ-UHFFFAOYSA-N 1 3 264.438 3.158 20 0 CGADHO C[N@@H+](Cc1cc2c(s1)CCNC2)C1(C)CCCC1 ZINC000720366418 800257127 /nfs/dbraw/zinc/25/71/27/800257127.db2.gz LZLFBGLOFCWGGJ-UHFFFAOYSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@H](CC[NH3+])C1 ZINC000723692165 800338279 /nfs/dbraw/zinc/33/82/79/800338279.db2.gz XWALTEKCYHYIFF-MNOVXSKESA-N 1 3 270.779 3.211 20 0 CGADHO CCOC1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001256436851 806898690 /nfs/dbraw/zinc/89/86/90/806898690.db2.gz PBJPSDVTIQGKST-UHFFFAOYSA-N 1 3 294.483 3.284 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC001256562439 806916382 /nfs/dbraw/zinc/91/63/82/806916382.db2.gz UIYIBPOVBFDWGR-UHFFFAOYSA-N 1 3 290.451 3.308 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991887 802625981 /nfs/dbraw/zinc/62/59/81/802625981.db2.gz ROSMJOVCLRFIKS-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991887 802625984 /nfs/dbraw/zinc/62/59/84/802625984.db2.gz ROSMJOVCLRFIKS-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991887 802625985 /nfs/dbraw/zinc/62/59/85/802625985.db2.gz ROSMJOVCLRFIKS-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO NCc1c(F)cccc1N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256896798 806999956 /nfs/dbraw/zinc/99/99/56/806999956.db2.gz FFESBJWYKSMYRX-CYBMUJFWSA-N 1 3 291.414 3.103 20 0 CGADHO NCc1c(F)cccc1N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896798 806999958 /nfs/dbraw/zinc/99/99/58/806999958.db2.gz FFESBJWYKSMYRX-CYBMUJFWSA-N 1 3 291.414 3.103 20 0 CGADHO [NH3+]C[C@@]1(F)CCCN(Cc2sccc2Cl)CC1 ZINC001205545863 812998955 /nfs/dbraw/zinc/99/89/55/812998955.db2.gz NWTBVISVYMSISK-GFCCVEGCSA-N 1 3 276.808 3.054 20 0 CGADHO C(=C/C1CC[NH2+]CC1)\c1ccc(CN2CCCCC2)cn1 ZINC001243896407 803066390 /nfs/dbraw/zinc/06/63/90/803066390.db2.gz MCOGEVKSIUTYSE-GQCTYLIASA-N 1 3 285.435 3.080 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2ccc(F)cc12 ZINC001137342500 803720078 /nfs/dbraw/zinc/72/00/78/803720078.db2.gz AOGZUVFEJSLIPF-UHFFFAOYSA-N 1 3 291.414 3.471 20 0 CGADHO Cc1cccc(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001246070729 804108639 /nfs/dbraw/zinc/10/86/39/804108639.db2.gz DYIWMUBJUXLFCF-VQTJNVASSA-N 1 3 294.442 3.448 20 0 CGADHO C[C@H]1CC[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246083102 804118511 /nfs/dbraw/zinc/11/85/11/804118511.db2.gz ZKZLHXAJMAXVQF-OWLYRPNTSA-N 1 3 272.436 3.443 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2ccccc2)CC[NH2+]1 ZINC001246092348 804124078 /nfs/dbraw/zinc/12/40/78/804124078.db2.gz AOCRLJHTVSILTM-DLBZAZTESA-N 1 3 260.425 3.130 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CCc2ccccc2)CCN1 ZINC001246092348 804124083 /nfs/dbraw/zinc/12/40/83/804124083.db2.gz AOCRLJHTVSILTM-DLBZAZTESA-N 1 3 260.425 3.130 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC001246095447 804128638 /nfs/dbraw/zinc/12/86/38/804128638.db2.gz GFGQZZWZFXIHCE-ZOBUZTSGSA-N 1 3 292.492 3.453 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246101858 804134784 /nfs/dbraw/zinc/13/47/84/804134784.db2.gz MOOJUTFIIXMYGM-BYCMXARLSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H]1NCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246102891 804135611 /nfs/dbraw/zinc/13/56/11/804135611.db2.gz REBHDCZSBGQWLE-LHUBUQBQSA-N 1 3 258.409 3.053 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246151552 804171315 /nfs/dbraw/zinc/17/13/15/804171315.db2.gz NUEJFUZGYVHBJY-MLHJIOFPSA-N 1 3 296.499 3.340 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246154131 804172085 /nfs/dbraw/zinc/17/20/85/804172085.db2.gz TZDKYVNDZFNBLY-KURKYZTESA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246154130 804172203 /nfs/dbraw/zinc/17/22/03/804172203.db2.gz TZDKYVNDZFNBLY-KSZLIROESA-N 1 3 296.499 3.484 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc4cc(O)ccc4c3)C2)CC1 ZINC001139341327 804176477 /nfs/dbraw/zinc/17/64/77/804176477.db2.gz GZARHJNEKYSFLA-UHFFFAOYSA-N 1 3 296.414 3.073 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246170963 804186303 /nfs/dbraw/zinc/18/63/03/804186303.db2.gz PJIPZBNQUUIRTA-CVEARBPZSA-N 1 3 278.415 3.267 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCCOc2cccc(Cl)c2)CCN1 ZINC001246174101 804187511 /nfs/dbraw/zinc/18/75/11/804187511.db2.gz IJJSVZSPWYPZPP-CQSZACIVSA-N 1 3 296.842 3.229 20 0 CGADHO C[C@@H]1C[C@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246178485 804192687 /nfs/dbraw/zinc/19/26/87/804192687.db2.gz JSWKLDMHHWDRPP-GDBMZVCRSA-N 1 3 258.409 3.186 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@H]1CCC[NH2+]C1 ZINC001246198505 804204833 /nfs/dbraw/zinc/20/48/33/804204833.db2.gz PWFWIWREYMAYPE-STQMWFEESA-N 1 3 298.883 3.410 20 0 CGADHO F[C@H]1CCNC[C@@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246223238 804217076 /nfs/dbraw/zinc/21/70/76/804217076.db2.gz QVCLCWDXKXNJNS-ZBFHGGJFSA-N 1 3 282.447 3.417 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246227386 804220777 /nfs/dbraw/zinc/22/07/77/804220777.db2.gz COMLLKBGJDFWGS-GJZGRUSLSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@@H](C(C)(C)C)C1)C1CCCC1 ZINC001246244854 804234733 /nfs/dbraw/zinc/23/47/33/804234733.db2.gz PQCOCPRPBJJXDL-NWANDNLSSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H]1C[C@H](NCCc2cc(Cl)cc(Cl)c2)CC[NH2+]1 ZINC001246262288 804243544 /nfs/dbraw/zinc/24/35/44/804243544.db2.gz BWUCBWIZXRACEC-QMTHXVAHSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)CCN1 ZINC001246262288 804243547 /nfs/dbraw/zinc/24/35/47/804243547.db2.gz BWUCBWIZXRACEC-QMTHXVAHSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246266872 804245701 /nfs/dbraw/zinc/24/57/01/804245701.db2.gz SWXOOJLKZHZMJM-ZQDZILKHSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246274287 804251751 /nfs/dbraw/zinc/25/17/51/804251751.db2.gz YRZPISIYLUDILM-OBVSXPTNSA-N 1 3 272.436 3.441 20 0 CGADHO Cc1ccc(SC[C@H](C)NC2(C[NH3+])CCCC2)cc1 ZINC001246278877 804254210 /nfs/dbraw/zinc/25/42/10/804254210.db2.gz JDYFGMJIHICPDQ-AWEZNQCLSA-N 1 3 278.465 3.337 20 0 CGADHO c1ccc([C@@H]([NH2+][C@@H]2CCCCNC2)C2CCC2)cc1 ZINC001246286971 804260291 /nfs/dbraw/zinc/26/02/91/804260291.db2.gz JBMCMQNHPOHJRG-IAGOWNOFSA-N 1 3 258.409 3.260 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)CCN ZINC001246298496 804266746 /nfs/dbraw/zinc/26/67/46/804266746.db2.gz AMSVERRGGXOFOW-VHSXEESVSA-N 1 3 275.223 3.251 20 0 CGADHO CCCCCC1CCC([NH2+][C@@H](C)C2CNC2)CC1 ZINC001246314573 804275496 /nfs/dbraw/zinc/27/54/96/804275496.db2.gz GWKZYEALDYLWOB-HLIUYOAVSA-N 1 3 252.446 3.323 20 0 CGADHO COc1ccc2cccc(CC[NH2+][C@H]3CCN[C@@H](C)C3)c2c1 ZINC001246317289 804276741 /nfs/dbraw/zinc/27/67/41/804276741.db2.gz WCHHLBWLXXLIOV-YOEHRIQHSA-N 1 3 298.430 3.121 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246329313 804284237 /nfs/dbraw/zinc/28/42/37/804284237.db2.gz UYDCZWSITUNRMI-ZBFHGGJFSA-N 1 3 296.405 3.264 20 0 CGADHO CC[C@H](C)C1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246332755 804287550 /nfs/dbraw/zinc/28/75/50/804287550.db2.gz HPGVYNCAXUVELD-WUPYBSFASA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@H](N[C@H]2CC23CCCC3)C[C@H](CC)[NH2+]1 ZINC001246333634 804290137 /nfs/dbraw/zinc/29/01/37/804290137.db2.gz KVVWRCVAVWFFQD-YJNKXOJESA-N 1 3 250.430 3.218 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CCN1 ZINC001246345646 804296750 /nfs/dbraw/zinc/29/67/50/804296750.db2.gz JLMMAVGVJRWXGQ-MAUKXSAKSA-N 1 3 299.462 3.467 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246344269 804296979 /nfs/dbraw/zinc/29/69/79/804296979.db2.gz QJJDLADJMSRYMH-ROUUACIJSA-N 1 3 274.452 3.473 20 0 CGADHO CC[C@H]1C[C@@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246344269 804296985 /nfs/dbraw/zinc/29/69/85/804296985.db2.gz QJJDLADJMSRYMH-ROUUACIJSA-N 1 3 274.452 3.473 20 0 CGADHO CCCCC(CCCC)[NH2+]C1(CC(=O)OC)CCNCC1 ZINC001246362943 804305646 /nfs/dbraw/zinc/30/56/46/804305646.db2.gz JDRRLIAXTAFYRK-UHFFFAOYSA-N 1 3 298.471 3.010 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246367216 804308391 /nfs/dbraw/zinc/30/83/91/804308391.db2.gz TXJLYAMSNIPCKZ-WMZOPIPTSA-N 1 3 299.462 3.467 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246367190 804308700 /nfs/dbraw/zinc/30/87/00/804308700.db2.gz SLOIEEWOZFXAID-FHWLQOOXSA-N 1 3 286.463 3.444 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246375970 804311444 /nfs/dbraw/zinc/31/14/44/804311444.db2.gz LDGHXKWMPFBUNQ-OAHLLOKOSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1CCNCC1(C)C ZINC001246378518 804312123 /nfs/dbraw/zinc/31/21/23/804312123.db2.gz WIFMVPYUVKUFTB-IAQYHMDHSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@@H]1CC[NH2+]CC1(C)C ZINC001246378518 804312131 /nfs/dbraw/zinc/31/21/31/804312131.db2.gz WIFMVPYUVKUFTB-IAQYHMDHSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H]1CCC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246380147 804313309 /nfs/dbraw/zinc/31/33/09/804313309.db2.gz FVRLAJDOHXNUDN-DZGCQCFKSA-N 1 3 250.430 3.077 20 0 CGADHO Fc1ccc(CC2([NH2+][C@H]3CCCCNC3)CCC2)cc1 ZINC001246384958 804315041 /nfs/dbraw/zinc/31/50/41/804315041.db2.gz ACGZZIAKOODMKC-INIZCTEOSA-N 1 3 276.399 3.023 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC2CCC2)CCN1 ZINC001246387483 804318129 /nfs/dbraw/zinc/31/81/29/804318129.db2.gz FZQZHYKDBMFBKR-CABCVRRESA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CCC2)CCN1 ZINC001246387518 804318527 /nfs/dbraw/zinc/31/85/27/804318527.db2.gz GJZNPLCHNZNJJA-GOEBONIOSA-N 1 3 290.426 3.269 20 0 CGADHO COCCC1([NH2+][C@@H](C)C[C@@H](C)CC(C)C)CCNCC1 ZINC001246396067 804319997 /nfs/dbraw/zinc/31/99/97/804319997.db2.gz XZJFHNCBSRVCEC-HOTGVXAUSA-N 1 3 284.488 3.196 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246396993 804322761 /nfs/dbraw/zinc/32/27/61/804322761.db2.gz RFALQKVECCOMOO-ROUUACIJSA-N 1 3 286.463 3.438 20 0 CGADHO CCC1([NH2+][C@@H](C)CCc2ccc(C)cc2)CCNCC1 ZINC001246424760 804329924 /nfs/dbraw/zinc/32/99/24/804329924.db2.gz TWRSHFGJOVLQMT-INIZCTEOSA-N 1 3 274.452 3.438 20 0 CGADHO CC1CCC(NC2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC001246427638 804330048 /nfs/dbraw/zinc/33/00/48/804330048.db2.gz FCBSZAWIENKBAI-UHFFFAOYSA-N 1 3 272.436 3.434 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246438985 804333356 /nfs/dbraw/zinc/33/33/56/804333356.db2.gz MFPMUQOBEIPUME-IAGOWNOFSA-N 1 3 290.426 3.269 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246449133 804336604 /nfs/dbraw/zinc/33/66/04/804336604.db2.gz WQMFDEVKCCFOSL-OAHLLOKOSA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)P(CC[NH2+][C@@H]1CC[C@@H](C)NC1)C(C)C ZINC001246470671 804347293 /nfs/dbraw/zinc/34/72/93/804347293.db2.gz QQGOOLWSVPYDJP-ZIAGYGMSSA-N 1 3 258.390 3.015 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001246500575 804363007 /nfs/dbraw/zinc/36/30/07/804363007.db2.gz XKNJKIUWQNWDMR-UCUFBTAOSA-N 1 3 258.409 3.053 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)C1CNC1 ZINC001246513914 804369471 /nfs/dbraw/zinc/36/94/71/804369471.db2.gz GCKYEUAKDHULOE-GPANFISMSA-N 1 3 266.473 3.425 20 0 CGADHO C[C@@H]1CC([NH2+]C2CCc3ccccc3CC2)C[C@@H](C)N1 ZINC001246515372 804370086 /nfs/dbraw/zinc/37/00/86/804370086.db2.gz MNTZCHKAHXFPGZ-ZIAGYGMSSA-N 1 3 272.436 3.053 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246515226 804370165 /nfs/dbraw/zinc/37/01/65/804370165.db2.gz KPFMSIVCJWAWQQ-CZUORRHYSA-N 1 3 252.446 3.179 20 0 CGADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246520190 804373524 /nfs/dbraw/zinc/37/35/24/804373524.db2.gz RNKZWHVXISXZMZ-WOJBJXKFSA-N 1 3 294.442 3.482 20 0 CGADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246520190 804373532 /nfs/dbraw/zinc/37/35/32/804373532.db2.gz RNKZWHVXISXZMZ-WOJBJXKFSA-N 1 3 294.442 3.482 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@@H](C2CC2)C2CNC2)CC1 ZINC001246520521 804374157 /nfs/dbraw/zinc/37/41/57/804374157.db2.gz WVMUOMHLFIDTPE-GPANFISMSA-N 1 3 264.457 3.179 20 0 CGADHO c1ccc(C[C@H]2C[C@H]([NH+]3Cc4ccccc4C3)CCN2)cc1 ZINC001246525973 804379717 /nfs/dbraw/zinc/37/97/17/804379717.db2.gz UQTAEVJNXDTICY-VQTJNVASSA-N 1 3 292.426 3.366 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@](C)(N)C2)cc1 ZINC001246545053 804393336 /nfs/dbraw/zinc/39/33/36/804393336.db2.gz WSMLEPXNZYFXEJ-RDJZCZTQSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@](C)(N)C2)cc1 ZINC001246545053 804393345 /nfs/dbraw/zinc/39/33/45/804393345.db2.gz WSMLEPXNZYFXEJ-RDJZCZTQSA-N 1 3 260.425 3.129 20 0 CGADHO CCCC[C@H]1C[C@@H](N2CCC(C)(F)CC2)CC[NH2+]1 ZINC001246548770 804398817 /nfs/dbraw/zinc/39/88/17/804398817.db2.gz GNUCWGOWGXBDMR-KBPBESRZSA-N 1 3 256.409 3.121 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246551460 804400616 /nfs/dbraw/zinc/40/06/16/804400616.db2.gz RYDYRBUSHPOTDC-XLNGHYISSA-N 1 3 258.409 3.134 20 0 CGADHO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246553198 804402766 /nfs/dbraw/zinc/40/27/66/804402766.db2.gz SGDDFYUOLASPOW-DDBAPUKQSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246553198 804402768 /nfs/dbraw/zinc/40/27/68/804402768.db2.gz SGDDFYUOLASPOW-DDBAPUKQSA-N 1 3 272.436 3.239 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001246552590 804402894 /nfs/dbraw/zinc/40/28/94/804402894.db2.gz QRZMCKSTYVFZII-FZKCQIBNSA-N 1 3 254.462 3.364 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001246552590 804402896 /nfs/dbraw/zinc/40/28/96/804402896.db2.gz QRZMCKSTYVFZII-FZKCQIBNSA-N 1 3 254.462 3.364 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001246552605 804403028 /nfs/dbraw/zinc/40/30/28/804403028.db2.gz QRZMCKSTYVFZII-XUWVNRHRSA-N 1 3 254.462 3.364 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001246552605 804403032 /nfs/dbraw/zinc/40/30/32/804403032.db2.gz QRZMCKSTYVFZII-XUWVNRHRSA-N 1 3 254.462 3.364 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246556524 804405636 /nfs/dbraw/zinc/40/56/36/804405636.db2.gz HMUFJASUKSFRKE-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246556524 804405640 /nfs/dbraw/zinc/40/56/40/804405640.db2.gz HMUFJASUKSFRKE-XHSDSOJGSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)C1CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246557654 804405705 /nfs/dbraw/zinc/40/57/05/804405705.db2.gz NAPIQBCSQSQYCX-MOKVOYLWSA-N 1 3 274.399 3.117 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](C)C1 ZINC001246559723 804407508 /nfs/dbraw/zinc/40/75/08/804407508.db2.gz PPXSYPWEGSHXGA-WBVHZDCISA-N 1 3 260.425 3.285 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](C)C1 ZINC001246559723 804407513 /nfs/dbraw/zinc/40/75/13/804407513.db2.gz PPXSYPWEGSHXGA-WBVHZDCISA-N 1 3 260.425 3.285 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246561802 804410257 /nfs/dbraw/zinc/41/02/57/804410257.db2.gz GIDAEVJDSWWZAQ-HYVNUMGLSA-N 1 3 260.425 3.067 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246561802 804410261 /nfs/dbraw/zinc/41/02/61/804410261.db2.gz GIDAEVJDSWWZAQ-HYVNUMGLSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571495 804419334 /nfs/dbraw/zinc/41/93/34/804419334.db2.gz UTBBTJWHGTXBIK-BPLDGKMQSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571495 804419338 /nfs/dbraw/zinc/41/93/38/804419338.db2.gz UTBBTJWHGTXBIK-BPLDGKMQSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CCCC[C@H](C[NH3+])C1 ZINC001246583850 804428340 /nfs/dbraw/zinc/42/83/40/804428340.db2.gz SFZXFULSYJYJHU-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246593892 804435605 /nfs/dbraw/zinc/43/56/05/804435605.db2.gz UEEROQFADGYONO-UMVBOHGHSA-N 1 3 280.843 3.330 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CCC[C@]13CCCNC3)C2 ZINC001246608759 804443400 /nfs/dbraw/zinc/44/34/00/804443400.db2.gz JLVNASQKDLXPOB-MJGOQNOKSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@]13CCCNC3)C2 ZINC001246608759 804443404 /nfs/dbraw/zinc/44/34/04/804443404.db2.gz JLVNASQKDLXPOB-MJGOQNOKSA-N 1 3 284.447 3.070 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246612068 804446724 /nfs/dbraw/zinc/44/67/24/804446724.db2.gz WRLCDSAZPSORBL-IBGZPJMESA-N 1 3 284.447 3.152 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CCC[C@]13CCCNC3)CC2 ZINC001246612068 804446729 /nfs/dbraw/zinc/44/67/29/804446729.db2.gz WRLCDSAZPSORBL-IBGZPJMESA-N 1 3 284.447 3.152 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246623360 804456184 /nfs/dbraw/zinc/45/61/84/804456184.db2.gz QCMRGVCNHWWZSG-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CC[C@H]2NC[C@H]2C1 ZINC001246628120 804458228 /nfs/dbraw/zinc/45/82/28/804458228.db2.gz AQQFSVIIDMJXJX-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1CC[C@H]2NC[C@H]2C1 ZINC001246628120 804458231 /nfs/dbraw/zinc/45/82/31/804458231.db2.gz AQQFSVIIDMJXJX-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246628120 804458235 /nfs/dbraw/zinc/45/82/35/804458235.db2.gz AQQFSVIIDMJXJX-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC001246628782 804458944 /nfs/dbraw/zinc/45/89/44/804458944.db2.gz ZRTBHOOEWFWVLB-CABCVRRESA-N 1 3 250.430 3.316 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC23CCCC3)CCN1 ZINC001246628782 804458947 /nfs/dbraw/zinc/45/89/47/804458947.db2.gz ZRTBHOOEWFWVLB-CABCVRRESA-N 1 3 250.430 3.316 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628364 804459014 /nfs/dbraw/zinc/45/90/14/804459014.db2.gz XKWDVTJPIYAFAR-XUWVNRHRSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628364 804459015 /nfs/dbraw/zinc/45/90/15/804459015.db2.gz XKWDVTJPIYAFAR-XUWVNRHRSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631531 804461897 /nfs/dbraw/zinc/46/18/97/804461897.db2.gz QFCVKTKDVOHUSU-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+]1CCCCC13CCNCC3)C2 ZINC001246648128 804474872 /nfs/dbraw/zinc/47/48/72/804474872.db2.gz OOTIBRYYDHDCEY-SFHVURJKSA-N 1 3 298.474 3.460 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+]1CCCCC13CCNCC3)C2 ZINC001246648128 804474877 /nfs/dbraw/zinc/47/48/77/804474877.db2.gz OOTIBRYYDHDCEY-SFHVURJKSA-N 1 3 298.474 3.460 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@H+](C2CCCC2)CC3)cc1 ZINC001246672614 804489611 /nfs/dbraw/zinc/48/96/11/804489611.db2.gz MKPWZIOCLDGOIM-MJGOQNOKSA-N 1 3 284.447 3.182 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672614 804489612 /nfs/dbraw/zinc/48/96/12/804489612.db2.gz MKPWZIOCLDGOIM-MJGOQNOKSA-N 1 3 284.447 3.182 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246782475 804508209 /nfs/dbraw/zinc/50/82/09/804508209.db2.gz KPURGFAHIBKZTQ-KBPBESRZSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]1C[C@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246784944 804510038 /nfs/dbraw/zinc/51/00/38/804510038.db2.gz HNDCGGGABBHUDP-CYIKRSNASA-N 1 3 262.441 3.028 20 0 CGADHO C[C@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246784944 804510044 /nfs/dbraw/zinc/51/00/44/804510044.db2.gz HNDCGGGABBHUDP-CYIKRSNASA-N 1 3 262.441 3.028 20 0 CGADHO C[C@H]1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246789312 804513825 /nfs/dbraw/zinc/51/38/25/804513825.db2.gz UUNUSAFUIQNQMI-GUYCJALGSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)CCN1 ZINC001246789312 804513830 /nfs/dbraw/zinc/51/38/30/804513830.db2.gz UUNUSAFUIQNQMI-GUYCJALGSA-N 1 3 276.399 3.146 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246793341 804517484 /nfs/dbraw/zinc/51/74/84/804517484.db2.gz VBZJBCOQPLGYFI-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CCCC2(CNC2)C1 ZINC001246793341 804517485 /nfs/dbraw/zinc/51/74/85/804517485.db2.gz VBZJBCOQPLGYFI-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cccc(CCN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC001246814692 804530751 /nfs/dbraw/zinc/53/07/51/804530751.db2.gz RFKFWDPIIKMYIV-PIIMJCKOSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1cccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC001246814692 804530756 /nfs/dbraw/zinc/53/07/56/804530756.db2.gz RFKFWDPIIKMYIV-PIIMJCKOSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1cccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC001246814692 804530760 /nfs/dbraw/zinc/53/07/60/804530760.db2.gz RFKFWDPIIKMYIV-PIIMJCKOSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001246839237 804547689 /nfs/dbraw/zinc/54/76/89/804547689.db2.gz CDHMLNNWFIHGLA-PNBKFKSVSA-N 1 3 290.476 3.145 20 0 CGADHO CC[C@@H]1CC([N@H+](C)CC2CCCC2)C[C@@H](CC)N1 ZINC001246841110 804550988 /nfs/dbraw/zinc/55/09/88/804550988.db2.gz MOCVZXJRIWTZKP-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC([N@@H+](C)CC2CCCC2)C[C@@H](CC)N1 ZINC001246841110 804550991 /nfs/dbraw/zinc/55/09/91/804550991.db2.gz MOCVZXJRIWTZKP-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844429 804551803 /nfs/dbraw/zinc/55/18/03/804551803.db2.gz JGNYNFUCAGHIRH-JQHSSLGASA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844429 804551805 /nfs/dbraw/zinc/55/18/05/804551805.db2.gz JGNYNFUCAGHIRH-JQHSSLGASA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@@H]([NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H](CC)N1 ZINC001246843387 804551899 /nfs/dbraw/zinc/55/18/99/804551899.db2.gz WALPZKQSMSITMD-DGXTUMSLSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC[C@@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C[NH2+]1 ZINC001246847202 804555405 /nfs/dbraw/zinc/55/54/05/804555405.db2.gz JQAIBBOZKOLMMH-FMKPAKJESA-N 1 3 298.434 3.164 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847315 804556099 /nfs/dbraw/zinc/55/60/99/804556099.db2.gz SWXHINZKHSQRTG-BYNSBNAKSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC2(C)C)C[C@H](CC)N1 ZINC001246847315 804556105 /nfs/dbraw/zinc/55/61/05/804556105.db2.gz SWXHINZKHSQRTG-BYNSBNAKSA-N 1 3 252.446 3.274 20 0 CGADHO C1[C@@H]2CCNC[C@@H]2C[N@@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848298 804557448 /nfs/dbraw/zinc/55/74/48/804557448.db2.gz UHNIDXUMLPQRTQ-BBWFWOEESA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@@H]2CCNC[C@@H]2C[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848298 804557450 /nfs/dbraw/zinc/55/74/50/804557450.db2.gz UHNIDXUMLPQRTQ-BBWFWOEESA-N 1 3 276.468 3.421 20 0 CGADHO C1CCC2(C1)CCC([N@@H+]1C[C@@H]3CCNC[C@@H]3C1)CC2 ZINC001246847721 804557717 /nfs/dbraw/zinc/55/77/17/804557717.db2.gz RTTHYGFVFOEHRM-LSDHHAIUSA-N 1 3 262.441 3.031 20 0 CGADHO C1CCC2(C1)CCC([N@H+]1C[C@@H]3CCNC[C@@H]3C1)CC2 ZINC001246847721 804557721 /nfs/dbraw/zinc/55/77/21/804557721.db2.gz RTTHYGFVFOEHRM-LSDHHAIUSA-N 1 3 262.441 3.031 20 0 CGADHO C[C@@H]1CC([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)C[C@@H](C)N1 ZINC001246851047 804560281 /nfs/dbraw/zinc/56/02/81/804560281.db2.gz XYYMTTCXEHNIMT-NFAWXSAZSA-N 1 3 276.399 3.144 20 0 CGADHO C[C@@H]1CC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C[C@@H](C)N1 ZINC001246851047 804560286 /nfs/dbraw/zinc/56/02/86/804560286.db2.gz XYYMTTCXEHNIMT-NFAWXSAZSA-N 1 3 276.399 3.144 20 0 CGADHO C[C@@H]1CC([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)C[C@@H](C)N1 ZINC001246851048 804560517 /nfs/dbraw/zinc/56/05/17/804560517.db2.gz XYYMTTCXEHNIMT-UMVBOHGHSA-N 1 3 276.399 3.144 20 0 CGADHO C[C@@H]1CC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C[C@@H](C)N1 ZINC001246851048 804560521 /nfs/dbraw/zinc/56/05/21/804560521.db2.gz XYYMTTCXEHNIMT-UMVBOHGHSA-N 1 3 276.399 3.144 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865301 804570325 /nfs/dbraw/zinc/57/03/25/804570325.db2.gz SWXKUPJMZYJPMQ-BZSNNMDCSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246865301 804570329 /nfs/dbraw/zinc/57/03/29/804570329.db2.gz SWXKUPJMZYJPMQ-BZSNNMDCSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@H]1C[C@@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246865301 804570334 /nfs/dbraw/zinc/57/03/34/804570334.db2.gz SWXKUPJMZYJPMQ-BZSNNMDCSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)CCN1 ZINC001246882892 804578181 /nfs/dbraw/zinc/57/81/81/804578181.db2.gz PDGHIFVQJFGODL-KSSFIOAISA-N 1 3 290.426 3.221 20 0 CGADHO C[C@H]1C[C@@H](N2CCC(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246882892 804578187 /nfs/dbraw/zinc/57/81/87/804578187.db2.gz PDGHIFVQJFGODL-KSSFIOAISA-N 1 3 290.426 3.221 20 0 CGADHO CC(C)(C)C1CCC([NH+]2CCCNCCC2)CC1 ZINC001246904428 804590590 /nfs/dbraw/zinc/59/05/90/804590590.db2.gz FWOAQODAODPCKK-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO C1C[C@@H]2C[C@H]([NH+]3CCCCCCCC3)C[C@H](C1)N2 ZINC001246920376 804600816 /nfs/dbraw/zinc/60/08/16/804600816.db2.gz NLZOPBRHIBQISG-ZSHCYNCHSA-N 1 3 250.430 3.316 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933908 804607148 /nfs/dbraw/zinc/60/71/48/804607148.db2.gz JTVSRZJSJAWZDE-VOAKCMCISA-N 1 3 292.389 3.413 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CCCSC1 ZINC001246937384 804609223 /nfs/dbraw/zinc/60/92/23/804609223.db2.gz LZYQEIHZVBGREL-ZBFHGGJFSA-N 1 3 282.497 3.126 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CCCSC1 ZINC001246937384 804609224 /nfs/dbraw/zinc/60/92/24/804609224.db2.gz LZYQEIHZVBGREL-ZBFHGGJFSA-N 1 3 282.497 3.126 20 0 CGADHO CSCC[C@@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246939784 804611153 /nfs/dbraw/zinc/61/11/53/804611153.db2.gz VHAQLFTYIMFMSJ-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO CSCC[C@@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246939784 804611156 /nfs/dbraw/zinc/61/11/56/804611156.db2.gz VHAQLFTYIMFMSJ-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO Cc1ccc(C[C@@H](C)N(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973023 804622045 /nfs/dbraw/zinc/62/20/45/804622045.db2.gz LLQPQESKKPCFKA-SJLPKXTDSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C2CC2)cc1 ZINC001246973023 804622050 /nfs/dbraw/zinc/62/20/50/804622050.db2.gz LLQPQESKKPCFKA-SJLPKXTDSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C2CC2)cc1 ZINC001246973023 804622053 /nfs/dbraw/zinc/62/20/53/804622053.db2.gz LLQPQESKKPCFKA-SJLPKXTDSA-N 1 3 286.463 3.390 20 0 CGADHO CN(Cc1csc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001142769007 804766100 /nfs/dbraw/zinc/76/61/00/804766100.db2.gz MQLXCGDJIXXYKK-UHFFFAOYSA-N 1 3 272.845 3.175 20 0 CGADHO COc1cc(C)c(C[NH2+]C2CCN(C(C)C)CC2)cc1C ZINC001257210150 807060873 /nfs/dbraw/zinc/06/08/73/807060873.db2.gz HIQFRFOLDQMPHX-UHFFFAOYSA-N 1 3 290.451 3.274 20 0 CGADHO CCC(CC)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001257291559 807088678 /nfs/dbraw/zinc/08/86/78/807088678.db2.gz IMONETTYOPTQNS-UHFFFAOYSA-N 1 3 264.388 3.264 20 0 CGADHO CCC[C@@H](C)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001257312496 807101561 /nfs/dbraw/zinc/10/15/61/807101561.db2.gz XSDRCIDPMYEURW-CYBMUJFWSA-N 1 3 264.388 3.264 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067805 807288059 /nfs/dbraw/zinc/28/80/59/807288059.db2.gz UTXKOQUKZRCFHK-TWMKSMIVSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067805 807288063 /nfs/dbraw/zinc/28/80/63/807288063.db2.gz UTXKOQUKZRCFHK-TWMKSMIVSA-N 1 3 266.473 3.331 20 0 CGADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH2+]C1CC3(CCC3)C1)C2 ZINC001167975138 807289996 /nfs/dbraw/zinc/28/99/96/807289996.db2.gz IJKLBJQRIMCUQD-ZXFUBFMLSA-N 1 3 274.452 3.314 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258073716 807290796 /nfs/dbraw/zinc/29/07/96/807290796.db2.gz FLQJLLSPLUWJKQ-JKSUJKDBSA-N 1 3 266.473 3.475 20 0 CGADHO C[C@@H]1CC[C@@H](C)C1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167982050 807291548 /nfs/dbraw/zinc/29/15/48/807291548.db2.gz UUCHBXMTEGVBIN-HYCWQLOCSA-N 1 3 276.468 3.416 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995111 807295443 /nfs/dbraw/zinc/29/54/43/807295443.db2.gz WQMRIBGOUXJCTH-SUQXETJPSA-N 1 3 276.468 3.370 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258086826 807300329 /nfs/dbraw/zinc/30/03/29/807300329.db2.gz DNKKYSNGJQKKIW-BZSNNMDCSA-N 1 3 294.483 3.354 20 0 CGADHO CCOC(=O)CCC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001258103357 807310246 /nfs/dbraw/zinc/31/02/46/807310246.db2.gz MEKAKMHKIJNYOV-HNNXBMFYSA-N 1 3 298.471 3.092 20 0 CGADHO CCOC(=O)CCC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001258103357 807310255 /nfs/dbraw/zinc/31/02/55/807310255.db2.gz MEKAKMHKIJNYOV-HNNXBMFYSA-N 1 3 298.471 3.092 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258662929 807530681 /nfs/dbraw/zinc/53/06/81/807530681.db2.gz MOPGPRNGBNLISX-GOSISDBHSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCCC1 ZINC001258736200 807581839 /nfs/dbraw/zinc/58/18/39/807581839.db2.gz ODNSUDHTJGYPSA-CQSZACIVSA-N 1 3 280.843 3.347 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCCN1C ZINC001258740167 807585128 /nfs/dbraw/zinc/58/51/28/807585128.db2.gz MUCCYTIXDXGOHE-CZUORRHYSA-N 1 3 280.843 3.345 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146117 807592689 /nfs/dbraw/zinc/59/26/89/807592689.db2.gz OSXSJOQZJYLDAV-NRSFXHEJSA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC001169146117 807592695 /nfs/dbraw/zinc/59/26/95/807592695.db2.gz OSXSJOQZJYLDAV-NRSFXHEJSA-N 1 3 288.410 3.240 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([N@H+](C)C3CCOCC3)CC2)C1 ZINC001258825438 807640113 /nfs/dbraw/zinc/64/01/13/807640113.db2.gz CSKUGEMPKBDDNL-CRAIPNDOSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825438 807640118 /nfs/dbraw/zinc/64/01/18/807640118.db2.gz CSKUGEMPKBDDNL-CRAIPNDOSA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258853493 807660666 /nfs/dbraw/zinc/66/06/66/807660666.db2.gz YZGJJWRRGALPCH-QGZVFWFLSA-N 1 3 272.436 3.035 20 0 CGADHO CCCc1ccc(CN2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC001261492432 807751073 /nfs/dbraw/zinc/75/10/73/807751073.db2.gz CVNAAAGNLCYHEL-SJORKVTESA-N 1 3 260.425 3.198 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC001170198629 807792778 /nfs/dbraw/zinc/79/27/78/807792778.db2.gz ZLDRQUMKBQSQNZ-DOTOQJQBSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc(C[NH3+])c1 ZINC001170680927 807873819 /nfs/dbraw/zinc/87/38/19/807873819.db2.gz IMYRNYYRSCEFEA-ZDUSSCGKSA-N 1 3 292.386 3.018 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170903184 807929799 /nfs/dbraw/zinc/92/97/99/807929799.db2.gz UCDOWDKFHYYJMZ-GJZGRUSLSA-N 1 3 292.854 3.271 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170957195 807945362 /nfs/dbraw/zinc/94/53/62/807945362.db2.gz LREAHVZZNCDIMF-INIZCTEOSA-N 1 3 292.442 3.395 20 0 CGADHO CCCC[N@H+](C)CCCN[C@H]1CCc2cccc(F)c2C1 ZINC001170957195 807945369 /nfs/dbraw/zinc/94/53/69/807945369.db2.gz LREAHVZZNCDIMF-INIZCTEOSA-N 1 3 292.442 3.395 20 0 CGADHO CCCC[N@@H+](C)CCCN[C@H]1CCc2cccc(F)c2C1 ZINC001170957195 807945377 /nfs/dbraw/zinc/94/53/77/807945377.db2.gz LREAHVZZNCDIMF-INIZCTEOSA-N 1 3 292.442 3.395 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171024555 807962957 /nfs/dbraw/zinc/96/29/57/807962957.db2.gz JTSCZLNZRIMITF-GJZGRUSLSA-N 1 3 292.854 3.271 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171098087 807982820 /nfs/dbraw/zinc/98/28/20/807982820.db2.gz BPWOWELNZAPZDI-SJORKVTESA-N 1 3 292.854 3.271 20 0 CGADHO Cc1cccc2c1CC[C@H]([NH+]1CCC(N(C)C3CC3)CC1)C2 ZINC001171575707 808102021 /nfs/dbraw/zinc/10/20/21/808102021.db2.gz XOPDJWFWGMAWTM-IBGZPJMESA-N 1 3 298.474 3.411 20 0 CGADHO CN1C(C)(C)CC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1(C)C ZINC001171627514 808107773 /nfs/dbraw/zinc/10/77/73/808107773.db2.gz UATVQKMTMOLJIR-AWEZNQCLSA-N 1 3 296.499 3.433 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CC1(C)C ZINC001171629636 808108198 /nfs/dbraw/zinc/10/81/98/808108198.db2.gz AEHIQZBHBUCBEY-VNHYZAJKSA-N 1 3 264.457 3.416 20 0 CGADHO CCO[C@@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637846 808109384 /nfs/dbraw/zinc/10/93/84/808109384.db2.gz PRIQAGKQNOCIJW-OAHLLOKOSA-N 1 3 282.472 3.139 20 0 CGADHO CCO[C@@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171637846 808109390 /nfs/dbraw/zinc/10/93/90/808109390.db2.gz PRIQAGKQNOCIJW-OAHLLOKOSA-N 1 3 282.472 3.139 20 0 CGADHO C[C@@H]1C[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171631755 808109790 /nfs/dbraw/zinc/10/97/90/808109790.db2.gz NIIGDAKBDWISKR-RDTXWAMCSA-N 1 3 296.499 3.121 20 0 CGADHO C[C@@H]1C[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@@]1(C)O ZINC001171631755 808109793 /nfs/dbraw/zinc/10/97/93/808109793.db2.gz NIIGDAKBDWISKR-RDTXWAMCSA-N 1 3 296.499 3.121 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001171659893 808114167 /nfs/dbraw/zinc/11/41/67/808114167.db2.gz GAEHUSZVZIHRCA-FUHWJXTLSA-N 1 3 274.452 3.390 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107026 808175738 /nfs/dbraw/zinc/17/57/38/808175738.db2.gz SINUXNKMGOWLML-YYIAUSFCSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107026 808175741 /nfs/dbraw/zinc/17/57/41/808175741.db2.gz SINUXNKMGOWLML-YYIAUSFCSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001172107025 808176153 /nfs/dbraw/zinc/17/61/53/808176153.db2.gz SINUXNKMGOWLML-YVSFHVDLSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001172107025 808176157 /nfs/dbraw/zinc/17/61/57/808176157.db2.gz SINUXNKMGOWLML-YVSFHVDLSA-N 1 3 273.424 3.138 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CCN(c3ccncc3)CC2)C[C@H]1C ZINC001172369314 808264242 /nfs/dbraw/zinc/26/42/42/808264242.db2.gz ZWXQUKDIPZLXKI-INMHGKMJSA-N 1 3 273.424 3.028 20 0 CGADHO CC[C@@H](CC(C)C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172402707 808291077 /nfs/dbraw/zinc/29/10/77/808291077.db2.gz WEQDEFVIBLCINV-ULQDDVLXSA-N 1 3 282.472 3.044 20 0 CGADHO CCOCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172413307 808298609 /nfs/dbraw/zinc/29/86/09/808298609.db2.gz AMAOVXOYNDLLAH-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](CN)C[N@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172819697 808444771 /nfs/dbraw/zinc/44/47/71/808444771.db2.gz JXVINMVXXLGZJJ-FAEJEUNOSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@H](CN)C[N@@H+](C)C1CCC(Cc2ccccc2)CC1 ZINC001172819697 808444773 /nfs/dbraw/zinc/44/47/73/808444773.db2.gz JXVINMVXXLGZJJ-FAEJEUNOSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[C@H]1CCCN1C ZINC001172842551 808458162 /nfs/dbraw/zinc/45/81/62/808458162.db2.gz RGBRTBDKUPTHCA-CHWSQXEVSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NCC[C@H]1CCC[N@@H+]1C ZINC001172842551 808458163 /nfs/dbraw/zinc/45/81/63/808458163.db2.gz RGBRTBDKUPTHCA-CHWSQXEVSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NCC[C@H]1CCC[N@H+]1C ZINC001172842551 808458169 /nfs/dbraw/zinc/45/81/69/808458169.db2.gz RGBRTBDKUPTHCA-CHWSQXEVSA-N 1 3 298.833 3.484 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC001173238980 808547754 /nfs/dbraw/zinc/54/77/54/808547754.db2.gz ZBGDBQGNICRJAZ-MRXNPFEDSA-N 1 3 274.452 3.256 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001173248205 808555414 /nfs/dbraw/zinc/55/54/14/808555414.db2.gz SKOFICMEUCZYJW-MRXNPFEDSA-N 1 3 286.463 3.208 20 0 CGADHO CC[C@H]1CC[C@@H](N2CCC([NH+]3CCC(OC)CC3)CC2)C1 ZINC001173283480 808584023 /nfs/dbraw/zinc/58/40/23/808584023.db2.gz LZTIOPBHVXHKEZ-DOTOQJQBSA-N 1 3 294.483 3.140 20 0 CGADHO CC(C)C[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001275055245 808901536 /nfs/dbraw/zinc/90/15/36/808901536.db2.gz ZPDXZKXJPNUTBY-UHFFFAOYSA-N 1 3 292.389 3.383 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001276156821 808991046 /nfs/dbraw/zinc/99/10/46/808991046.db2.gz ZMEPYSVBKRHCCC-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2CC1 ZINC001276156821 808991049 /nfs/dbraw/zinc/99/10/49/808991049.db2.gz ZMEPYSVBKRHCCC-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)oc1C ZINC001276174694 808992016 /nfs/dbraw/zinc/99/20/16/808992016.db2.gz BVBOAAATKAGLIA-QGZVFWFLSA-N 1 3 276.424 3.204 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)oc1C ZINC001276174694 808992020 /nfs/dbraw/zinc/99/20/20/808992020.db2.gz BVBOAAATKAGLIA-QGZVFWFLSA-N 1 3 276.424 3.204 20 0 CGADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202214 809307469 /nfs/dbraw/zinc/30/74/69/809307469.db2.gz CUEPIVGRJOCIKO-VKJFTORMSA-N 1 3 288.410 3.087 20 0 CGADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC001175202214 809307476 /nfs/dbraw/zinc/30/74/76/809307476.db2.gz CUEPIVGRJOCIKO-VKJFTORMSA-N 1 3 288.410 3.087 20 0 CGADHO C[C@@H]1CN(CCCC2CCC2)CCN1c1cc[nH+]cc1 ZINC001175774830 809540407 /nfs/dbraw/zinc/54/04/07/809540407.db2.gz KKOYUGJBKZAPHP-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1C[N@H+](CCCC2CCC2)CCN1c1ccncc1 ZINC001175774830 809540414 /nfs/dbraw/zinc/54/04/14/809540414.db2.gz KKOYUGJBKZAPHP-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1C[N@@H+](CCCC2CCC2)CCN1c1ccncc1 ZINC001175774830 809540421 /nfs/dbraw/zinc/54/04/21/809540421.db2.gz KKOYUGJBKZAPHP-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001179818562 809948898 /nfs/dbraw/zinc/94/88/98/809948898.db2.gz YXDIOOQHEMUNBU-IIAWOOMASA-N 1 3 278.827 3.078 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3csc4ccccc34)[C@@H]2C1 ZINC001179817224 809949133 /nfs/dbraw/zinc/94/91/33/809949133.db2.gz PAHXJTUUAGYUIA-APHBMKBZSA-N 1 3 286.444 3.331 20 0 CGADHO CCN(CCC[NH+](C)C)C[C@H](C)c1cc(F)cc(F)c1 ZINC001181506329 810056845 /nfs/dbraw/zinc/05/68/45/810056845.db2.gz QESRBXRDKMZJJA-ZDUSSCGKSA-N 1 3 284.394 3.342 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN2C)C12CCCCC2 ZINC001194092392 811013839 /nfs/dbraw/zinc/01/38/39/811013839.db2.gz OYNXHIPIYMXBBH-GVDBMIGSSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001197931708 811465338 /nfs/dbraw/zinc/46/53/38/811465338.db2.gz ZETDWUULTLUTRE-GJZGRUSLSA-N 1 3 261.413 3.027 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001197931708 811465341 /nfs/dbraw/zinc/46/53/41/811465341.db2.gz ZETDWUULTLUTRE-GJZGRUSLSA-N 1 3 261.413 3.027 20 0 CGADHO CC[C@H](C)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516801 811878170 /nfs/dbraw/zinc/87/81/70/811878170.db2.gz CBTFGDWIGKMTHP-QXAKKESOSA-N 1 3 286.463 3.486 20 0 CGADHO CC[C@H](C)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201516801 811878180 /nfs/dbraw/zinc/87/81/80/811878180.db2.gz CBTFGDWIGKMTHP-QXAKKESOSA-N 1 3 286.463 3.486 20 0 CGADHO CCCC[C@H](CC)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001201568379 811907808 /nfs/dbraw/zinc/90/78/08/811907808.db2.gz RUEBSWLLQNQATC-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CCCCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717253 811945755 /nfs/dbraw/zinc/94/57/55/811945755.db2.gz IPSQGVJEGRFBFL-QZTJIDSGSA-N 1 3 272.436 3.240 20 0 CGADHO CCCCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201717253 811945758 /nfs/dbraw/zinc/94/57/58/811945758.db2.gz IPSQGVJEGRFBFL-QZTJIDSGSA-N 1 3 272.436 3.240 20 0 CGADHO C[C@H]1CCC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001201858042 811973218 /nfs/dbraw/zinc/97/32/18/811973218.db2.gz YQEYAHZVIJRZNW-WMLDXEAASA-N 1 3 264.457 3.419 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc(OC)c(C)c1C ZINC001203726465 812443614 /nfs/dbraw/zinc/44/36/14/812443614.db2.gz CIRPFFPMOLVKJG-UHFFFAOYSA-N 1 3 292.467 3.476 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@H+](C)CCCN1CCCC1 ZINC001204289051 812600030 /nfs/dbraw/zinc/60/00/30/812600030.db2.gz MPWIKINIZJWFNI-UHFFFAOYSA-N 1 3 285.435 3.394 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@@H+](C)CCCN1CCCC1 ZINC001204289051 812600034 /nfs/dbraw/zinc/60/00/34/812600034.db2.gz MPWIKINIZJWFNI-UHFFFAOYSA-N 1 3 285.435 3.394 20 0 CGADHO CN(C)/C=C/c1ccncc1-c1ccc(C[NH+](C)C)cc1 ZINC001204660776 812702446 /nfs/dbraw/zinc/70/24/46/812702446.db2.gz LHWPDNRQWGMGAQ-ZRDIBKRKSA-N 1 3 281.403 3.343 20 0 CGADHO CC/C=C\CCCCCN1CCC[C@@H](C[NH2+]C)C1 ZINC001205001688 812818312 /nfs/dbraw/zinc/81/83/12/812818312.db2.gz WHBNNZNDXSYIQQ-AWFCHZOYSA-N 1 3 252.446 3.444 20 0 CGADHO Cc1cc(CN2CCC[C@@](C)([NH3+])CC2)ccc1OC(C)C ZINC001205289370 812933787 /nfs/dbraw/zinc/93/37/87/812933787.db2.gz XCTADWPKYOAVIG-GOSISDBHSA-N 1 3 290.451 3.486 20 0 CGADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccc(Cl)s2)CC1 ZINC001205546615 812999616 /nfs/dbraw/zinc/99/96/16/812999616.db2.gz XDVJXMYPIQKVPZ-GFCCVEGCSA-N 1 3 276.808 3.054 20 0 CGADHO C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205627387 813032627 /nfs/dbraw/zinc/03/26/27/813032627.db2.gz OWQFOMMHHVEUEI-WCQYABFASA-N 1 3 284.806 3.286 20 0 CGADHO Cc1cc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)cc1F ZINC001205639287 813038351 /nfs/dbraw/zinc/03/83/51/813038351.db2.gz YMRSZQRVFHCPEK-YPMHNXCESA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1CCCC[N@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001205662703 813046261 /nfs/dbraw/zinc/04/62/61/813046261.db2.gz DFTITDMNXIRNLF-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@@H]1CCCC[N@@H+](Cc2cc3c(s2)CNCC3)C1 ZINC001205662703 813046268 /nfs/dbraw/zinc/04/62/68/813046268.db2.gz DFTITDMNXIRNLF-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO CC(C)C[N@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001205923544 813135805 /nfs/dbraw/zinc/13/58/05/813135805.db2.gz OZMWLHJOHNHHJU-UHFFFAOYSA-N 1 3 297.446 3.250 20 0 CGADHO CC(C)C[N@@H+](Cc1ccc2n1CCNC2)Cc1ccccc1 ZINC001205923544 813135810 /nfs/dbraw/zinc/13/58/10/813135810.db2.gz OZMWLHJOHNHHJU-UHFFFAOYSA-N 1 3 297.446 3.250 20 0 CGADHO CC(C)c1ccc(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206163748 813220965 /nfs/dbraw/zinc/22/09/65/813220965.db2.gz FGOCMOBQRQADNX-CVEARBPZSA-N 1 3 264.388 3.071 20 0 CGADHO [NH3+][C@H]1CCN(Cc2ccc(C3CCC3)cc2)CC[C@@H]1F ZINC001206196676 813235771 /nfs/dbraw/zinc/23/57/71/813235771.db2.gz CKHBGCBIOVNHJW-IRXDYDNUSA-N 1 3 276.399 3.215 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206201101 813238135 /nfs/dbraw/zinc/23/81/35/813238135.db2.gz VPNPEWCQUSXYDW-HUUCEWRRSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206201101 813238140 /nfs/dbraw/zinc/23/81/40/813238140.db2.gz VPNPEWCQUSXYDW-HUUCEWRRSA-N 1 3 284.806 3.218 20 0 CGADHO CCCc1ccc(C[N@@H+]2CCCC[C@](F)(CN)C2)cc1 ZINC001206363186 813304974 /nfs/dbraw/zinc/30/49/74/813304974.db2.gz VRTAPTJWQBXWCC-KRWDZBQOSA-N 1 3 278.415 3.292 20 0 CGADHO CCCc1ccc(C[N@H+]2CCCC[C@](F)(CN)C2)cc1 ZINC001206363186 813304980 /nfs/dbraw/zinc/30/49/80/813304980.db2.gz VRTAPTJWQBXWCC-KRWDZBQOSA-N 1 3 278.415 3.292 20 0 CGADHO C[C@]1(F)CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206404561 813314652 /nfs/dbraw/zinc/31/46/52/813314652.db2.gz MHDZTBPMWPDUDD-KRWDZBQOSA-N 1 3 276.399 3.046 20 0 CGADHO CCCOc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206540144 813342561 /nfs/dbraw/zinc/34/25/61/813342561.db2.gz ANZWHIXLEBKDPV-SFHVURJKSA-N 1 3 290.451 3.426 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2nccc3ccccc32)C1 ZINC001206563309 813355017 /nfs/dbraw/zinc/35/50/17/813355017.db2.gz BUIBVXYEJPCCDU-SFHVURJKSA-N 1 3 283.419 3.186 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001206572638 813358619 /nfs/dbraw/zinc/35/86/19/813358619.db2.gz FUQYNMCUTDOQHH-GOSISDBHSA-N 1 3 298.434 3.028 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1cccc(C(F)F)c1 ZINC001207126465 813491059 /nfs/dbraw/zinc/49/10/59/813491059.db2.gz RGXPTPVGDINLNR-UHFFFAOYSA-N 1 3 256.340 3.008 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC001207126465 813491064 /nfs/dbraw/zinc/49/10/64/813491064.db2.gz RGXPTPVGDINLNR-UHFFFAOYSA-N 1 3 256.340 3.008 20 0 CGADHO CCCN1C[C@@H]2C[NH+](CCC3CCCCC3)C[C@H]2C1 ZINC001207261032 813522688 /nfs/dbraw/zinc/52/26/88/813522688.db2.gz IKKDSWBEZHHNAS-IAGOWNOFSA-N 1 3 264.457 3.230 20 0 CGADHO CC1=CC[C@H](CC[NH+]2CCC(N(C)C)CC2)C1(C)C ZINC001207269921 813528601 /nfs/dbraw/zinc/52/86/01/813528601.db2.gz WOWPCGLPVLWWBJ-OAHLLOKOSA-N 1 3 264.457 3.395 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001207288197 813535685 /nfs/dbraw/zinc/53/56/85/813535685.db2.gz JFIDAESNPKXINO-UHFFFAOYSA-N 1 3 274.452 3.368 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001207288197 813535687 /nfs/dbraw/zinc/53/56/87/813535687.db2.gz JFIDAESNPKXINO-UHFFFAOYSA-N 1 3 274.452 3.368 20 0 CGADHO C[C@H](CCN1CCN(CCC[NH+](C)C)CC1)CC(C)(C)C ZINC001208666470 813790066 /nfs/dbraw/zinc/79/00/66/813790066.db2.gz ULCLVOSLXDKERY-QGZVFWFLSA-N 1 3 297.531 3.018 20 0 CGADHO CN1CC2(C1)CC[NH+](CCC(C)(C)c1ccccc1)CC2 ZINC001208668851 813790982 /nfs/dbraw/zinc/79/09/82/813790982.db2.gz BPXVUXUFENCWCR-UHFFFAOYSA-N 1 3 286.463 3.382 20 0 CGADHO Cc1cc(N2CC[NH+](C[C@@H]3C[C@@H]3C)CC2)c2ccccc2n1 ZINC001209411713 814019267 /nfs/dbraw/zinc/01/92/67/814019267.db2.gz UFILEMCKAFMGON-HOCLYGCPSA-N 1 3 295.430 3.321 20 0 CGADHO C[NH+](C)CCc1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218486908 816242989 /nfs/dbraw/zinc/24/29/89/816242989.db2.gz GERFSDSJFMYVKI-LJQANCHMSA-N 1 3 296.414 3.014 20 0 CGADHO C[NH2+]Cc1cccc(-c2cnccc2/C=C/N(C)C)c1 ZINC001242999434 823205523 /nfs/dbraw/zinc/20/55/23/823205523.db2.gz JTCJAWGNANCUOE-CSKARUKUSA-N 1 3 267.376 3.000 20 0 CGADHO C[C@H](C[NH+](C)C)Oc1ccc2ccccc2c1CN(C)C ZINC001228442639 817907523 /nfs/dbraw/zinc/90/75/23/817907523.db2.gz UYNJEGUXPJVRIA-CQSZACIVSA-N 1 3 286.419 3.230 20 0 CGADHO Cc1c(F)ccc(CN(C)CC2CC[NH+](C)CC2)c1F ZINC001231477642 818106645 /nfs/dbraw/zinc/10/66/45/818106645.db2.gz MURRPIUNZTWFNX-UHFFFAOYSA-N 1 3 282.378 3.047 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](CC2CC2)C2CC2)c1 ZINC001232150070 818263817 /nfs/dbraw/zinc/26/38/17/818263817.db2.gz RWRBUVSCZJMWHN-UHFFFAOYSA-N 1 3 276.399 3.262 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](CC2CC2)C2CC2)c1 ZINC001232150070 818263821 /nfs/dbraw/zinc/26/38/21/818263821.db2.gz RWRBUVSCZJMWHN-UHFFFAOYSA-N 1 3 276.399 3.262 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C[C@H]2CC2(C)C)c1 ZINC001232146576 818264053 /nfs/dbraw/zinc/26/40/53/818264053.db2.gz URLOAYMHVIMIKA-OAHLLOKOSA-N 1 3 278.415 3.365 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C[C@H]2CC2(C)C)c1 ZINC001232146576 818264062 /nfs/dbraw/zinc/26/40/62/818264062.db2.gz URLOAYMHVIMIKA-OAHLLOKOSA-N 1 3 278.415 3.365 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CC[C@@](C)(CF)C2)c1 ZINC001232144313 818264227 /nfs/dbraw/zinc/26/42/27/818264227.db2.gz HXYNRHDCWCVQGS-INIZCTEOSA-N 1 3 282.378 3.069 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc4ccsc4c3)C2)CC1 ZINC001232613949 818397932 /nfs/dbraw/zinc/39/79/32/818397932.db2.gz CXRODTUKEIKKJC-UHFFFAOYSA-N 1 3 286.444 3.429 20 0 CGADHO CC/C=C\CCC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235170705 819022705 /nfs/dbraw/zinc/02/27/05/819022705.db2.gz FYJJWVNLLZTROP-QGZUEGPWSA-N 1 3 250.430 3.341 20 0 CGADHO CC/C=C\CCC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235170705 819022712 /nfs/dbraw/zinc/02/27/12/819022712.db2.gz FYJJWVNLLZTROP-QGZUEGPWSA-N 1 3 250.430 3.341 20 0 CGADHO Fc1cccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235231576 819042077 /nfs/dbraw/zinc/04/20/77/819042077.db2.gz UJWWPYGGMDCPHK-KRWDZBQOSA-N 1 3 276.399 3.180 20 0 CGADHO c1ccc(C[C@@H]2CCCN(CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672303 819133539 /nfs/dbraw/zinc/13/35/39/819133539.db2.gz ALYLHKYLZGTGEV-RBUKOAKNSA-N 1 3 286.463 3.473 20 0 CGADHO CC[NH2+]C1CCN(CC[C@H]2CC=C(C)C2(C)C)CC1 ZINC001235727350 819155625 /nfs/dbraw/zinc/15/56/25/819155625.db2.gz YKWSIXWJPSTWAJ-OAHLLOKOSA-N 1 3 264.457 3.443 20 0 CGADHO CCN(Cc1ccccc1-n1cccc1)C1CC[NH2+]CC1 ZINC001235759834 819162283 /nfs/dbraw/zinc/16/22/83/819162283.db2.gz BMLGGFQSENAYCX-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO CC[N@H+](Cc1ccccc1-n1cccc1)C1CCNCC1 ZINC001235759834 819162286 /nfs/dbraw/zinc/16/22/86/819162286.db2.gz BMLGGFQSENAYCX-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO CC[N@@H+](Cc1ccccc1-n1cccc1)C1CCNCC1 ZINC001235759834 819162288 /nfs/dbraw/zinc/16/22/88/819162288.db2.gz BMLGGFQSENAYCX-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO CCN(Cc1ccc2ccn(CC)c2c1)C1CC[NH2+]CC1 ZINC001235762997 819163829 /nfs/dbraw/zinc/16/38/29/819163829.db2.gz ZOVJQAGDHVZVPT-UHFFFAOYSA-N 1 3 285.435 3.235 20 0 CGADHO [NH3+]Cc1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC001235808337 819172906 /nfs/dbraw/zinc/17/29/06/819172906.db2.gz BBZHIJSALXTTTA-GOSISDBHSA-N 1 3 298.455 3.435 20 0 CGADHO CCCCCCOc1ccccc1CN1CC(CC[NH3+])C1 ZINC001235918184 819220113 /nfs/dbraw/zinc/22/01/13/819220113.db2.gz BIGGJSIEMHBYKD-UHFFFAOYSA-N 1 3 290.451 3.426 20 0 CGADHO Cc1ccc(-c2ccc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)o1 ZINC001235937497 819232378 /nfs/dbraw/zinc/23/23/78/819232378.db2.gz IFIZVNZQENBHBX-ZWKOTPCHSA-N 1 3 296.414 3.296 20 0 CGADHO Fc1ccc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235942860 819234148 /nfs/dbraw/zinc/23/41/48/819234148.db2.gz YHKIQNIWMOUQKY-ZFWWWQNUSA-N 1 3 284.378 3.020 20 0 CGADHO C[C@@H](CC[N@H+](C)C[C@H]1CCCNC1)CC(C)(C)C ZINC001235950663 819242256 /nfs/dbraw/zinc/24/22/56/819242256.db2.gz KYPKMDOAPGFIPU-GJZGRUSLSA-N 1 3 254.462 3.380 20 0 CGADHO C[C@@H](CC[N@@H+](C)C[C@H]1CCCNC1)CC(C)(C)C ZINC001235950663 819242261 /nfs/dbraw/zinc/24/22/61/819242261.db2.gz KYPKMDOAPGFIPU-GJZGRUSLSA-N 1 3 254.462 3.380 20 0 CGADHO N[C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985849 819260131 /nfs/dbraw/zinc/26/01/31/819260131.db2.gz DFZZOMZTEYTJLW-HKUYNNGSSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985849 819260137 /nfs/dbraw/zinc/26/01/37/819260137.db2.gz DFZZOMZTEYTJLW-HKUYNNGSSA-N 1 3 296.389 3.416 20 0 CGADHO C[NH2+]C[C@H]1CCN(Cc2sc3ccccc3c2C)C1 ZINC001236066010 819298861 /nfs/dbraw/zinc/29/88/61/819298861.db2.gz GAHZPDRVKAJADK-CYBMUJFWSA-N 1 3 274.433 3.251 20 0 CGADHO C[C@H]1Cc2ccccc2CN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236072903 819301810 /nfs/dbraw/zinc/30/18/10/819301810.db2.gz YOXDTTHWFRAJQC-AWEZNQCLSA-N 1 3 278.399 3.237 20 0 CGADHO C[N@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@@H]1N ZINC001236211809 819374697 /nfs/dbraw/zinc/37/46/97/819374697.db2.gz JJSKJNIZDKCORF-GJZGRUSLSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@H]1CCCC[C@@H]1N ZINC001236211809 819374704 /nfs/dbraw/zinc/37/47/04/819374704.db2.gz JJSKJNIZDKCORF-GJZGRUSLSA-N 1 3 275.371 3.009 20 0 CGADHO CCc1cccc(C)c1C[N@H+](C)[C@@H]1CCCC[C@H]1N ZINC001236215186 819377858 /nfs/dbraw/zinc/37/78/58/819377858.db2.gz HMWGCCMTJSJEEN-IAGOWNOFSA-N 1 3 260.425 3.259 20 0 CGADHO CCc1cccc(C)c1C[N@@H+](C)[C@@H]1CCCC[C@H]1N ZINC001236215186 819377867 /nfs/dbraw/zinc/37/78/67/819377867.db2.gz HMWGCCMTJSJEEN-IAGOWNOFSA-N 1 3 260.425 3.259 20 0 CGADHO C[N@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@@H]1N ZINC001236218502 819384969 /nfs/dbraw/zinc/38/49/69/819384969.db2.gz SINUQJPPLJSUJY-IRXDYDNUSA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCCC[C@@H]1N ZINC001236218502 819384973 /nfs/dbraw/zinc/38/49/73/819384973.db2.gz SINUQJPPLJSUJY-IRXDYDNUSA-N 1 3 258.409 3.266 20 0 CGADHO CCc1cc(CN(C)C2(C)CC[NH2+]CC2)cc(CC)c1O ZINC001236225763 819391974 /nfs/dbraw/zinc/39/19/74/819391974.db2.gz FQGDGPYGBYRFKB-UHFFFAOYSA-N 1 3 290.451 3.091 20 0 CGADHO Cc1c(C)c(C)c(CN2CCC[NH2+]CCC2)c(C)c1C ZINC001236240110 819399401 /nfs/dbraw/zinc/39/94/01/819399401.db2.gz LKTWUOFPYGPRKJ-UHFFFAOYSA-N 1 3 274.452 3.414 20 0 CGADHO Cc1ccc([C@@H]2CCCCN2C[C@H]2CC[NH2+]C2)cc1C ZINC001236245161 819403248 /nfs/dbraw/zinc/40/32/48/819403248.db2.gz PSRFBTWGJHINKH-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2c(c1)CCCN2 ZINC001236322641 819424811 /nfs/dbraw/zinc/42/48/11/819424811.db2.gz RMXJCECXRWNOFU-UHFFFAOYSA-N 1 3 289.467 3.208 20 0 CGADHO CC(C)(C)C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236402169 819452294 /nfs/dbraw/zinc/45/22/94/819452294.db2.gz WNTQKJHNYVEPHZ-UHFFFAOYSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)(C)C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236402169 819452295 /nfs/dbraw/zinc/45/22/95/819452295.db2.gz WNTQKJHNYVEPHZ-UHFFFAOYSA-N 1 3 278.415 3.426 20 0 CGADHO CCN(Cc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407970 819455831 /nfs/dbraw/zinc/45/58/31/819455831.db2.gz KQZAMEPRTYBFPA-MRXNPFEDSA-N 1 3 260.425 3.241 20 0 CGADHO CCN(Cc1ccc(C(C)(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236408810 819456639 /nfs/dbraw/zinc/45/66/39/819456639.db2.gz NVTDHXPVLABAHJ-INIZCTEOSA-N 1 3 274.452 3.416 20 0 CGADHO CCCCC[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236440090 819480497 /nfs/dbraw/zinc/48/04/97/819480497.db2.gz JYSZCKCQYFAVBH-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCCCC[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236440090 819480501 /nfs/dbraw/zinc/48/05/01/819480501.db2.gz JYSZCKCQYFAVBH-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CCCCCN(Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236440090 819480505 /nfs/dbraw/zinc/48/05/05/819480505.db2.gz JYSZCKCQYFAVBH-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO Cc1cc(F)cc(C[N@H+](CC2CCC2)C2CCNCC2)c1 ZINC001236480780 819496173 /nfs/dbraw/zinc/49/61/73/819496173.db2.gz JRYNIHCCHOENGI-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(F)cc(C[N@@H+](CC2CCC2)C2CCNCC2)c1 ZINC001236480780 819496176 /nfs/dbraw/zinc/49/61/76/819496176.db2.gz JRYNIHCCHOENGI-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(F)cc(CN(CC2CCC2)C2CC[NH2+]CC2)c1 ZINC001236480780 819496178 /nfs/dbraw/zinc/49/61/78/819496178.db2.gz JRYNIHCCHOENGI-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](CCC1CC1)C1CCNCC1 ZINC001236518763 819512186 /nfs/dbraw/zinc/51/21/86/819512186.db2.gz WDJNXKVVUWJPHQ-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](CCC1CC1)C1CCNCC1 ZINC001236518763 819512192 /nfs/dbraw/zinc/51/21/92/819512192.db2.gz WDJNXKVVUWJPHQ-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(F)ccc1CN(CCC1CC1)C1CC[NH2+]CC1 ZINC001236518763 819512197 /nfs/dbraw/zinc/51/21/97/819512197.db2.gz WDJNXKVVUWJPHQ-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO CCCN(Cc1ccccc1C1CC1)C[C@@H]1CC[NH2+]C1 ZINC001236833893 819613008 /nfs/dbraw/zinc/61/30/08/819613008.db2.gz DCUMMEYASHBWJF-OAHLLOKOSA-N 1 3 272.436 3.386 20 0 CGADHO CCCN(Cc1cc(C)cc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833390 819613701 /nfs/dbraw/zinc/61/37/01/819613701.db2.gz ANBJUEHCSGPIPD-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO CCCN(Cc1ccccc1C1CC1)C[C@H]1CC[NH2+]C1 ZINC001236833892 819613804 /nfs/dbraw/zinc/61/38/04/819613804.db2.gz DCUMMEYASHBWJF-HNNXBMFYSA-N 1 3 272.436 3.386 20 0 CGADHO CCCN(Cc1ccc(C)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836819 819617094 /nfs/dbraw/zinc/61/70/94/819617094.db2.gz YCWSJEVSYWIGKW-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO Cc1c(CN2CCC3(C2)CC[NH+](C)CC3)ccc(F)c1F ZINC001237160639 819684902 /nfs/dbraw/zinc/68/49/02/819684902.db2.gz GGQSVZUMDZFDKW-UHFFFAOYSA-N 1 3 294.389 3.191 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001237203473 819697349 /nfs/dbraw/zinc/69/73/49/819697349.db2.gz GXVDCRVUZKPVNK-DYVFJYSZSA-N 1 3 284.378 3.414 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001237203473 819697355 /nfs/dbraw/zinc/69/73/55/819697355.db2.gz GXVDCRVUZKPVNK-DYVFJYSZSA-N 1 3 284.378 3.414 20 0 CGADHO CC[C@@H](N)C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265085 819711586 /nfs/dbraw/zinc/71/15/86/819711586.db2.gz LRIKTKBSATUPCE-JKSUJKDBSA-N 1 3 290.451 3.391 20 0 CGADHO CC[C@@H](N)C[N@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265085 819711589 /nfs/dbraw/zinc/71/15/89/819711589.db2.gz LRIKTKBSATUPCE-JKSUJKDBSA-N 1 3 290.451 3.391 20 0 CGADHO CCc1cccc(C)c1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001237331443 819729826 /nfs/dbraw/zinc/72/98/26/819729826.db2.gz YVROPQICRACRLI-UHFFFAOYSA-N 1 3 272.436 3.085 20 0 CGADHO Clc1cccc(CCCN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237382693 819737455 /nfs/dbraw/zinc/73/74/55/819737455.db2.gz MRLNUAVKTCDOCC-DOTOQJQBSA-N 1 3 292.854 3.347 20 0 CGADHO Cc1c(Cl)ccc(C[N@@H+](C)CCCN(C)C)c1C ZINC001238216547 819959254 /nfs/dbraw/zinc/95/92/54/819959254.db2.gz VSIGEJUEWOYLAM-UHFFFAOYSA-N 1 3 268.832 3.340 20 0 CGADHO Cc1c(Cl)ccc(C[N@H+](C)CCCN(C)C)c1C ZINC001238216547 819959259 /nfs/dbraw/zinc/95/92/59/819959259.db2.gz VSIGEJUEWOYLAM-UHFFFAOYSA-N 1 3 268.832 3.340 20 0 CGADHO [NH3+]Cc1cncc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001239809802 820625188 /nfs/dbraw/zinc/62/51/88/820625188.db2.gz WCXHSWPZTHWEKG-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO CC(C)(C)[NH2+]Cc1ccc(-c2cccc(CN)n2)cc1 ZINC001240362140 820994160 /nfs/dbraw/zinc/99/41/60/820994160.db2.gz WTENWMISRUZRPH-UHFFFAOYSA-N 1 3 269.392 3.095 20 0 CGADHO CC[NH+](CC)Cc1ccc(-c2cc(N)ccn2)cc1 ZINC001241573122 821960773 /nfs/dbraw/zinc/96/07/73/821960773.db2.gz KCNDDGPLHOKRSC-UHFFFAOYSA-N 1 3 255.365 3.173 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC001335441776 936146114 /nfs/dbraw/zinc/14/61/14/936146114.db2.gz TTXDSDFPEJYGFJ-LBPRGKRZSA-N 1 3 266.351 3.039 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC001348852400 936936911 /nfs/dbraw/zinc/93/69/11/936936911.db2.gz LNXXWFCUMAVPRU-KBPBESRZSA-N 1 3 268.351 3.374 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163446234 928261165 /nfs/dbraw/zinc/26/11/65/928261165.db2.gz NTNLMXPNEJHTPT-YJBOKZPZSA-N 1 3 274.452 3.302 20 0 CGADHO C[NH+](C)CCC[C@@H]1CN(CCCC2CCCCC2)CCO1 ZINC001460537930 937534610 /nfs/dbraw/zinc/53/46/10/937534610.db2.gz QTHMKIMGWYMOAB-GOSISDBHSA-N 1 3 296.499 3.390 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001460800753 937545722 /nfs/dbraw/zinc/54/57/22/937545722.db2.gz KDABKVJVFVAPBX-CVEARBPZSA-N 1 3 275.440 3.274 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001460800753 937545724 /nfs/dbraw/zinc/54/57/24/937545724.db2.gz KDABKVJVFVAPBX-CVEARBPZSA-N 1 3 275.440 3.274 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)C2)C1 ZINC001461365877 937577970 /nfs/dbraw/zinc/57/79/70/937577970.db2.gz SYNPVZRYBQXDSG-XHSDSOJGSA-N 1 3 252.446 3.133 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001334200105 932766022 /nfs/dbraw/zinc/76/60/22/932766022.db2.gz CJTQKAUMHUCDCQ-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001334200105 932766026 /nfs/dbraw/zinc/76/60/26/932766026.db2.gz CJTQKAUMHUCDCQ-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H](C[NH+]1CCC(C)(N(C)C)CC1)CC(C)(C)C ZINC001308004466 933034248 /nfs/dbraw/zinc/03/42/48/933034248.db2.gz QESRDNIBVHSGCU-CQSZACIVSA-N 1 3 254.462 3.475 20 0 CGADHO C[N@H+](CCCN1CCCCC1)Cc1ccc2cc[nH]c2c1 ZINC001308024576 933037603 /nfs/dbraw/zinc/03/76/03/933037603.db2.gz WHRCIJKSNRNBTD-UHFFFAOYSA-N 1 3 285.435 3.476 20 0 CGADHO C[N@@H+](CCCN1CCCCC1)Cc1ccc2cc[nH]c2c1 ZINC001308024576 933037607 /nfs/dbraw/zinc/03/76/07/933037607.db2.gz WHRCIJKSNRNBTD-UHFFFAOYSA-N 1 3 285.435 3.476 20 0 CGADHO CCc1ccc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1 ZINC001308088824 933045940 /nfs/dbraw/zinc/04/59/40/933045940.db2.gz JBCRURNNZOYBMX-INIZCTEOSA-N 1 3 295.430 3.355 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001308091174 933046347 /nfs/dbraw/zinc/04/63/47/933046347.db2.gz YBMHQUXTVYCPLY-ZACQAIPSSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001308091174 933046351 /nfs/dbraw/zinc/04/63/51/933046351.db2.gz YBMHQUXTVYCPLY-ZACQAIPSSA-N 1 3 287.451 3.418 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC001308553203 933130368 /nfs/dbraw/zinc/13/03/68/933130368.db2.gz IOXDZUFHGSYPHV-KCQAQPDRSA-N 1 3 298.352 3.135 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC001308553508 933130403 /nfs/dbraw/zinc/13/04/03/933130403.db2.gz ASTKLJKMMMEYBO-RDJZCZTQSA-N 1 3 289.467 3.039 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001308872359 933194381 /nfs/dbraw/zinc/19/43/81/933194381.db2.gz QEHQJZVIQSNWMS-ADKAHSJRSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@H](C)N(C)C ZINC001308881965 933196365 /nfs/dbraw/zinc/19/63/65/933196365.db2.gz BHCTYSATPKRVJC-DOTOQJQBSA-N 1 3 262.441 3.246 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308983460 933220929 /nfs/dbraw/zinc/22/09/29/933220929.db2.gz DSHRVTSUNMJJTN-RFBLXINOSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1cc(CNC[C@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC001474734983 933828804 /nfs/dbraw/zinc/82/88/04/933828804.db2.gz IITNHFRIESIUOY-HNNXBMFYSA-N 1 3 278.827 3.080 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC001319190504 933838312 /nfs/dbraw/zinc/83/83/12/933838312.db2.gz QHLUEQCBTWKGAE-SMDDNHRTSA-N 1 3 281.469 3.142 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(CC)C1 ZINC001319190899 933839547 /nfs/dbraw/zinc/83/95/47/933839547.db2.gz UFVUUXNKUGIVAH-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC001322632139 934324177 /nfs/dbraw/zinc/32/41/77/934324177.db2.gz DRMCMXJRXZMZHD-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC001324407007 934498563 /nfs/dbraw/zinc/49/85/63/934498563.db2.gz HQKNXLIPVPFJIQ-GOEBONIOSA-N 1 3 292.471 3.155 20 0 CGADHO CC1(C)CC(C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC001473586719 937812465 /nfs/dbraw/zinc/81/24/65/937812465.db2.gz XJUDGMGJORPUJL-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO CC1(C)CC(C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC001473586719 937812466 /nfs/dbraw/zinc/81/24/66/937812466.db2.gz XJUDGMGJORPUJL-UHFFFAOYSA-N 1 3 273.424 3.030 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC001326604013 934993954 /nfs/dbraw/zinc/99/39/54/934993954.db2.gz BJYZZWWXQUEJPP-JSGCOSHPSA-N 1 3 293.842 3.044 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc2c(c1)CCC2 ZINC001329023075 935179779 /nfs/dbraw/zinc/17/97/79/935179779.db2.gz GJDINFXXZPDCNK-CYBMUJFWSA-N 1 3 295.430 3.188 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(C(F)F)c1 ZINC001331819649 935411889 /nfs/dbraw/zinc/41/18/89/935411889.db2.gz CJMIIYDJSFLDFY-KBPBESRZSA-N 1 3 268.351 3.231 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1CCC2 ZINC001331819624 935411959 /nfs/dbraw/zinc/41/19/59/935411959.db2.gz CBONZZPJKLBUOH-IPMKNSEASA-N 1 3 284.447 3.186 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cnn(-c2ccccc2)c1 ZINC001331835542 935413072 /nfs/dbraw/zinc/41/30/72/935413072.db2.gz QYBSPXLPXICTGN-DAYGRLMNSA-N 1 3 298.434 3.040 20 0 CGADHO Cc1cccc(C2(NC[C@H]3CCC[NH2+]C3)CCCC2)c1 ZINC001333582131 935549325 /nfs/dbraw/zinc/54/93/25/935549325.db2.gz KEQGKGNLFAVLPA-INIZCTEOSA-N 1 3 272.436 3.354 20 0 CGADHO CSc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC001333719968 936059238 /nfs/dbraw/zinc/05/92/38/936059238.db2.gz SDENQGQMBQFSLH-UHFFFAOYSA-N 1 3 294.464 3.309 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCN1c1ccncc1 ZINC001473760031 937820891 /nfs/dbraw/zinc/82/08/91/937820891.db2.gz VGSHPGVBOXIYHF-VQHPVUNQSA-N 1 3 285.435 3.028 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCN1c1ccncc1 ZINC001473760031 937820893 /nfs/dbraw/zinc/82/08/93/937820893.db2.gz VGSHPGVBOXIYHF-VQHPVUNQSA-N 1 3 285.435 3.028 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001474301156 937849286 /nfs/dbraw/zinc/84/92/86/937849286.db2.gz GIXFJROFOCQOQH-KWXGJIJISA-N 1 3 278.484 3.379 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001474302058 937849713 /nfs/dbraw/zinc/84/97/13/937849713.db2.gz RWKYEXBFGRTYNE-GLUHHBOGSA-N 1 3 264.457 3.275 20 0 CGADHO CC[C@](C)(CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339268 937852675 /nfs/dbraw/zinc/85/26/75/937852675.db2.gz HDDGLRDLKPVJTN-ZWKOTPCHSA-N 1 3 296.499 3.245 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1(C)C ZINC001474628197 937871494 /nfs/dbraw/zinc/87/14/94/937871494.db2.gz AOTXAPIVHPYUOQ-IXDOHACOSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H]1C[N@H+](CC2CCCCC2)CCN1c1ccncc1 ZINC001521023604 938029328 /nfs/dbraw/zinc/02/93/28/938029328.db2.gz CFXOKTNXJWMJDD-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]1C[N@@H+](CC2CCCCC2)CCN1c1ccncc1 ZINC001521023604 938029329 /nfs/dbraw/zinc/02/93/29/938029329.db2.gz CFXOKTNXJWMJDD-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO Cc1ccc(C)c(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001560155156 938245211 /nfs/dbraw/zinc/24/52/11/938245211.db2.gz CPTIAUYFJVIPOO-KRWDZBQOSA-N 1 3 295.430 3.409 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC001560251223 938249628 /nfs/dbraw/zinc/24/96/28/938249628.db2.gz JUBPWPQPFCAUNN-UHFFFAOYSA-N 1 3 286.463 3.387 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC001560533990 938261883 /nfs/dbraw/zinc/26/18/83/938261883.db2.gz KTZRMIYWQMGQML-SFHVURJKSA-N 1 3 274.452 3.461 20 0 CGADHO CC(C)[C@H](C[NH3+])CN1CCS[C@@H](c2ccccc2)C1 ZINC001575423843 960469862 /nfs/dbraw/zinc/46/98/62/960469862.db2.gz YZWMRYPOVHIBMK-HZPDHXFCSA-N 1 3 278.465 3.007 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC001575940957 962418548 /nfs/dbraw/zinc/41/85/48/962418548.db2.gz FTKLVTFSWGPKEF-UMSGYPCISA-N 1 3 276.346 3.004 20 0 CGADHO CC1(C)CCCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001576435317 962457699 /nfs/dbraw/zinc/45/76/99/962457699.db2.gz WYOUDRSITBUEET-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCCC[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC001576435317 962457706 /nfs/dbraw/zinc/45/77/06/962457706.db2.gz WYOUDRSITBUEET-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001576435318 962459417 /nfs/dbraw/zinc/45/94/17/962459417.db2.gz WYOUDRSITBUEET-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCCC[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC001576435318 962459428 /nfs/dbraw/zinc/45/94/28/962459428.db2.gz WYOUDRSITBUEET-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC001576426754 962461187 /nfs/dbraw/zinc/46/11/87/962461187.db2.gz NLHBSHISNZSSDH-ZNMIVQPWSA-N 1 3 252.446 3.310 20 0 CGADHO CCC(CC)(CN)C[NH2+][C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC001577052551 962505173 /nfs/dbraw/zinc/50/51/73/962505173.db2.gz WSLILNOKUIQTMK-WKILWMFISA-N 1 3 290.451 3.296 20 0 CGADHO C[NH2+]CCCN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001578686958 962590213 /nfs/dbraw/zinc/59/02/13/962590213.db2.gz GFCWRZYZTIDTDY-AWEZNQCLSA-N 1 3 264.388 3.005 20 0 CGADHO COc1cccc2cc(C[NH2+][C@@](C)(CN)CC(C)C)oc21 ZINC001579294382 962620697 /nfs/dbraw/zinc/62/06/97/962620697.db2.gz YMRQFBUHFXEBPR-QGZVFWFLSA-N 1 3 290.407 3.295 20 0 CGADHO Cc1ccc(-c2ccc(CNCCC[NH3+])s2)cc1 ZINC001579647738 962648383 /nfs/dbraw/zinc/64/83/83/962648383.db2.gz GKRSLFDORGVZQP-UHFFFAOYSA-N 1 3 260.406 3.162 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC001579738284 962662592 /nfs/dbraw/zinc/66/25/92/962662592.db2.gz LUIQPJBPAGGVRG-RDJZCZTQSA-N 1 3 272.436 3.350 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000127765962 187331552 /nfs/dbraw/zinc/33/15/52/187331552.db2.gz OQMVWCBVFDSZOJ-CABCVRRESA-N 1 3 278.415 3.251 20 0 CGADHO COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000273088676 192039036 /nfs/dbraw/zinc/03/90/36/192039036.db2.gz QWKICKGDJHFVCK-GJZGRUSLSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273088676 192039037 /nfs/dbraw/zinc/03/90/37/192039037.db2.gz QWKICKGDJHFVCK-GJZGRUSLSA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000273088673 192039846 /nfs/dbraw/zinc/03/98/46/192039846.db2.gz QWKICKGDJHFVCK-CABCVRRESA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000273088673 192039848 /nfs/dbraw/zinc/03/98/48/192039848.db2.gz QWKICKGDJHFVCK-CABCVRRESA-N 1 3 288.435 3.139 20 0 CGADHO COc1ccc([C@@H](C)NCCC2CC[NH+](C)CC2)c(F)c1 ZINC000125298539 187178248 /nfs/dbraw/zinc/17/82/48/187178248.db2.gz JGEWVITXERWGOI-CYBMUJFWSA-N 1 3 294.414 3.217 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000423477353 529453133 /nfs/dbraw/zinc/45/31/33/529453133.db2.gz TVAOZWFWNGKCBF-XJKSGUPXSA-N 1 3 260.381 3.457 20 0 CGADHO CC[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@@H]1C[C@@H]1C ZINC000423526053 529591705 /nfs/dbraw/zinc/59/17/05/529591705.db2.gz KZGVVHYGIVEASU-RKTZNRGGSA-N 1 3 276.468 3.164 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000423275875 529655839 /nfs/dbraw/zinc/65/58/39/529655839.db2.gz MEEXHFZHGRABNK-VNQPRFMTSA-N 1 3 264.388 3.384 20 0 CGADHO CCOCc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623354967 349787385 /nfs/dbraw/zinc/78/73/85/349787385.db2.gz QTWMWQJEFMMVOJ-KRWDZBQOSA-N 1 3 290.451 3.186 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000423408280 529659776 /nfs/dbraw/zinc/65/97/76/529659776.db2.gz XEMGOKKWVNXIED-BYCMXARLSA-N 1 3 298.377 3.327 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000423276571 529669750 /nfs/dbraw/zinc/66/97/50/529669750.db2.gz OPHKFBRLSZZGHB-KBMXLJTQSA-N 1 3 264.388 3.384 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623408028 349800619 /nfs/dbraw/zinc/80/06/19/349800619.db2.gz FALVJABTNAYLMO-NVXWUHKLSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000623408028 349800623 /nfs/dbraw/zinc/80/06/23/349800623.db2.gz FALVJABTNAYLMO-NVXWUHKLSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C[C@@H]1C ZINC000623657210 349858729 /nfs/dbraw/zinc/85/87/29/349858729.db2.gz LGZICMFVYKNUHJ-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000623654781 349856755 /nfs/dbraw/zinc/85/67/55/349856755.db2.gz IWTPNXMHDJMGBR-CQSZACIVSA-N 1 3 298.377 3.110 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000623656525 349857667 /nfs/dbraw/zinc/85/76/67/349857667.db2.gz WDOWFUVUFAIYER-AWEZNQCLSA-N 1 3 272.392 3.254 20 0 CGADHO CCC[C@@H](CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280091 335182016 /nfs/dbraw/zinc/18/20/16/335182016.db2.gz RNGUKTWPTVZLRN-ZWKOTPCHSA-N 1 3 272.436 3.256 20 0 CGADHO Cc1[nH+]c2ccccc2c(N2CCN(C(C)C)CC2)c1C ZINC000302076396 136447280 /nfs/dbraw/zinc/44/72/80/136447280.db2.gz JIHXLNNKVYOCCZ-UHFFFAOYSA-N 1 3 283.419 3.382 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000423282719 529986381 /nfs/dbraw/zinc/98/63/81/529986381.db2.gz WUNIJRHTLPEBTI-DOMZBBRYSA-N 1 3 268.832 3.482 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000032147834 344929656 /nfs/dbraw/zinc/92/96/56/344929656.db2.gz XOBNXKOWIHOFSH-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000040623234 344964582 /nfs/dbraw/zinc/96/45/82/344964582.db2.gz DTYYYWOFWHTJOD-QGZVFWFLSA-N 1 3 274.452 3.432 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000040623234 344964585 /nfs/dbraw/zinc/96/45/85/344964585.db2.gz DTYYYWOFWHTJOD-QGZVFWFLSA-N 1 3 274.452 3.432 20 0 CGADHO C[C@H]1CCCN(C(C)(C)CNC(=[NH2+])Nc2ccccc2)C1 ZINC000066244621 345285382 /nfs/dbraw/zinc/28/53/82/345285382.db2.gz ZGKITQCDYWDDQW-AWEZNQCLSA-N 1 3 288.439 3.133 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000089551748 345770980 /nfs/dbraw/zinc/77/09/80/345770980.db2.gz QRMYRMPJEMNXMS-RVKKMQEKSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc2ccccc2c1 ZINC000124547636 346013141 /nfs/dbraw/zinc/01/31/41/346013141.db2.gz DBVKZAOOMAFEMC-GUYCJALGSA-N 1 3 254.377 3.151 20 0 CGADHO Cc1ccccc1CCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175909650 232327342 /nfs/dbraw/zinc/32/73/42/232327342.db2.gz XOWRZAPESDHURO-SFHVURJKSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000175909650 232327343 /nfs/dbraw/zinc/32/73/43/232327343.db2.gz XOWRZAPESDHURO-SFHVURJKSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000175909650 232327346 /nfs/dbraw/zinc/32/73/46/232327346.db2.gz XOWRZAPESDHURO-SFHVURJKSA-N 1 3 286.463 3.345 20 0 CGADHO CCCOc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130625895 346059372 /nfs/dbraw/zinc/05/93/72/346059372.db2.gz NQFDAPCOAMEEMC-JQHSSLGASA-N 1 3 288.435 3.035 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC(C2CC2)C2CC2)c2ccccc21 ZINC000132154342 346070230 /nfs/dbraw/zinc/07/02/30/346070230.db2.gz PEVDWEKQMSDXHZ-IRXDYDNUSA-N 1 3 256.393 3.157 20 0 CGADHO Cc1ccc(CNCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000234313179 346331587 /nfs/dbraw/zinc/33/15/87/346331587.db2.gz BFCMIEYQVJRGPW-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO CCC[NH+]1CCC(CNCc2cc(OC)ccc2F)CC1 ZINC000339239997 215034902 /nfs/dbraw/zinc/03/49/02/215034902.db2.gz PHAQKOMAEITMAS-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCCCC1 ZINC000423051391 282507786 /nfs/dbraw/zinc/50/77/86/282507786.db2.gz NZWRXRDJARWECS-LSDHHAIUSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122143 349979763 /nfs/dbraw/zinc/97/97/63/349979763.db2.gz KTWYWANWYOWOBY-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120841 349978380 /nfs/dbraw/zinc/97/83/80/349978380.db2.gz ICPCGCTWZYLJJO-XUWVNRHRSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]1CN(CCCC[NH2+]C2CCC3(CC3)CC2)C[C@H](C)O1 ZINC000362923556 290843980 /nfs/dbraw/zinc/84/39/80/290843980.db2.gz KINKEKQOLLNONW-HOTGVXAUSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1C[NH+](CCCN2CCCCC2)C[C@@H](C)C1(F)F ZINC000625652164 350189872 /nfs/dbraw/zinc/18/98/72/350189872.db2.gz BXCPZWHHKGNUEY-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO C[C@H]1C[NH+](CCCN2CCCCC2)C[C@H](C)C1(F)F ZINC000625652162 350190529 /nfs/dbraw/zinc/19/05/29/350190529.db2.gz BXCPZWHHKGNUEY-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CC[N@H+](CC[C@@H]1CCCO1)Cc1ccc(CN(C)C)cc1 ZINC000626062741 350254977 /nfs/dbraw/zinc/25/49/77/350254977.db2.gz FCHCQHOUHOFVEN-SFHVURJKSA-N 1 3 290.451 3.139 20 0 CGADHO CC[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(CN(C)C)cc1 ZINC000626062741 350254981 /nfs/dbraw/zinc/25/49/81/350254981.db2.gz FCHCQHOUHOFVEN-SFHVURJKSA-N 1 3 290.451 3.139 20 0 CGADHO Cc1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000628185516 350429536 /nfs/dbraw/zinc/42/95/36/350429536.db2.gz BNSRKQOCVQLHEL-UHFFFAOYSA-N 1 3 291.439 3.071 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628229736 350451477 /nfs/dbraw/zinc/45/14/77/350451477.db2.gz GUOCFZSYPZNLQU-HOTGVXAUSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@]12C[NH2+]C[C@@]1(C)CN([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000629593170 350716400 /nfs/dbraw/zinc/71/64/00/350716400.db2.gz HCOCHAYWZYUTFE-KURKYZTESA-N 1 3 288.410 3.135 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000629540482 350706684 /nfs/dbraw/zinc/70/66/84/350706684.db2.gz UYRAUTAXHOVFPX-KSSFIOAISA-N 1 3 289.467 3.463 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000629540471 350706896 /nfs/dbraw/zinc/70/68/96/350706896.db2.gz UYRAUTAXHOVFPX-KBXCAEBGSA-N 1 3 289.467 3.463 20 0 CGADHO Cc1ccc2ncc(CN3CCC(CC[NH3+])CC3)cc2c1 ZINC000629549548 350711421 /nfs/dbraw/zinc/71/14/21/350711421.db2.gz RWUZKCJCFBFVMQ-UHFFFAOYSA-N 1 3 283.419 3.104 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629551946 350711702 /nfs/dbraw/zinc/71/17/02/350711702.db2.gz YHDOKEDDUMSCJI-NEPJUHHUSA-N 1 3 278.362 3.087 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551946 350711707 /nfs/dbraw/zinc/71/17/07/350711707.db2.gz YHDOKEDDUMSCJI-NEPJUHHUSA-N 1 3 278.362 3.087 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514483 350699810 /nfs/dbraw/zinc/69/98/10/350699810.db2.gz MIULLZNERIBRMC-OFQRWUPVSA-N 1 3 294.826 3.063 20 0 CGADHO C[C@H](CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629662838 350732854 /nfs/dbraw/zinc/73/28/54/350732854.db2.gz DQBFRBNRYVDPSN-NXHRZFHOSA-N 1 3 272.436 3.112 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@H]2CCC[C@H]21 ZINC000631685070 351118837 /nfs/dbraw/zinc/11/88/37/351118837.db2.gz WTRGNYRILODCSR-ZIFCJYIRSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@H]2CCC[C@H]21 ZINC000631685070 351118839 /nfs/dbraw/zinc/11/88/39/351118839.db2.gz WTRGNYRILODCSR-ZIFCJYIRSA-N 1 3 295.430 3.197 20 0 CGADHO N[C@H](CC[NH2+]C1CCC2(CC2)CC1)Cc1ccccc1 ZINC000635004608 351622785 /nfs/dbraw/zinc/62/27/85/351622785.db2.gz FOHSEXXAJJKDGN-MRXNPFEDSA-N 1 3 272.436 3.259 20 0 CGADHO N[C@H](CC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000635005074 351622950 /nfs/dbraw/zinc/62/29/50/351622950.db2.gz LQUONVRZCQDFFF-MRXNPFEDSA-N 1 3 260.425 3.259 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006038 351623949 /nfs/dbraw/zinc/62/39/49/351623949.db2.gz KQUWJZJIARWNSY-QZTJIDSGSA-N 1 3 283.419 3.082 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCNc3ccccc32)C1 ZINC000635007344 351625653 /nfs/dbraw/zinc/62/56/53/351625653.db2.gz AUSWAZTVFGDXMW-YOEHRIQHSA-N 1 3 287.451 3.301 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000635008617 351626439 /nfs/dbraw/zinc/62/64/39/351626439.db2.gz RVZVXPFRYDNCDR-JKSUJKDBSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635009943 351628695 /nfs/dbraw/zinc/62/86/95/351628695.db2.gz XSBBOMVQCYZLIG-GDBMZVCRSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@H](Cc1cccs1)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635009943 351628696 /nfs/dbraw/zinc/62/86/96/351628696.db2.gz XSBBOMVQCYZLIG-GDBMZVCRSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635011058 351629823 /nfs/dbraw/zinc/62/98/23/351629823.db2.gz OYXDTVUKAOGZHR-CQSZACIVSA-N 1 3 284.403 3.036 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000635012469 351630808 /nfs/dbraw/zinc/63/08/08/351630808.db2.gz UDQCARYYPNJMMZ-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000635012068 351630910 /nfs/dbraw/zinc/63/09/10/351630910.db2.gz JAVKDFDPXWBDCX-NWDGAFQWSA-N 1 3 261.413 3.078 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2ccco2)CC1 ZINC000122757919 187049964 /nfs/dbraw/zinc/04/99/64/187049964.db2.gz VWJCCKKLCXSMNV-CYBMUJFWSA-N 1 3 250.386 3.052 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000122794644 187052189 /nfs/dbraw/zinc/05/21/89/187052189.db2.gz JEWWEZUHFPBCCE-OAHLLOKOSA-N 1 3 292.471 3.237 20 0 CGADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000130935167 187531075 /nfs/dbraw/zinc/53/10/75/187531075.db2.gz DCNPKNOIKVETLQ-GJZGRUSLSA-N 1 3 272.436 3.216 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccn(C)c1 ZINC000158464967 188377545 /nfs/dbraw/zinc/37/75/45/188377545.db2.gz YWZQBNUIDBCTHS-LPHOPBHVSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccn(C)c1 ZINC000158464967 188377547 /nfs/dbraw/zinc/37/75/47/188377547.db2.gz YWZQBNUIDBCTHS-LPHOPBHVSA-N 1 3 297.446 3.025 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000422820169 282911367 /nfs/dbraw/zinc/91/13/67/282911367.db2.gz PFQKLTOGWGUPMF-YNEHKIRRSA-N 1 3 278.362 3.087 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000271890304 191393542 /nfs/dbraw/zinc/39/35/42/191393542.db2.gz VSCXNABHMALWET-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000367058133 283214578 /nfs/dbraw/zinc/21/45/78/283214578.db2.gz QEICZZKAWILCGB-KRWDZBQOSA-N 1 3 296.499 3.437 20 0 CGADHO CC(C)[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1 ZINC000124750851 138377501 /nfs/dbraw/zinc/37/75/01/138377501.db2.gz HMDGAJBZBPYTOS-IAGOWNOFSA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000124750851 138377503 /nfs/dbraw/zinc/37/75/03/138377503.db2.gz HMDGAJBZBPYTOS-IAGOWNOFSA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@@H](NCC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000124750851 138377504 /nfs/dbraw/zinc/37/75/04/138377504.db2.gz HMDGAJBZBPYTOS-IAGOWNOFSA-N 1 3 260.425 3.458 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000125325928 138381315 /nfs/dbraw/zinc/38/13/15/138381315.db2.gz VLZCEGAIARFNCL-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423228248 236003002 /nfs/dbraw/zinc/00/30/02/236003002.db2.gz YXBRJEOMQBISBJ-LNSITVRQSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423228248 236003004 /nfs/dbraw/zinc/00/30/04/236003004.db2.gz YXBRJEOMQBISBJ-LNSITVRQSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423265849 236014084 /nfs/dbraw/zinc/01/40/84/236014084.db2.gz DBKVZDOEKYHUDN-XHBSWPGZSA-N 1 3 282.378 3.003 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423263601 236013571 /nfs/dbraw/zinc/01/35/71/236013571.db2.gz BDNCYZHGZSUGAM-RISCZKNCSA-N 1 3 252.427 3.042 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423300233 236030741 /nfs/dbraw/zinc/03/07/41/236030741.db2.gz CUAXENTYDXBGTF-OSAQELSMSA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423303238 236032631 /nfs/dbraw/zinc/03/26/31/236032631.db2.gz IOVLDFHRVYTZLS-IJLUTSLNSA-N 1 3 254.805 3.016 20 0 CGADHO N[C@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C1CC1 ZINC000423314680 236035659 /nfs/dbraw/zinc/03/56/59/236035659.db2.gz HNJCWINMMQCMGE-CABCVRRESA-N 1 3 264.800 3.044 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423323250 236037926 /nfs/dbraw/zinc/03/79/26/236037926.db2.gz AETZKOUIKIZXNM-DYVFJYSZSA-N 1 3 296.405 3.265 20 0 CGADHO C[C@]1(CN[C@@H](c2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423350298 236046917 /nfs/dbraw/zinc/04/69/17/236046917.db2.gz XGJUVMQZSZJRIX-IRXDYDNUSA-N 1 3 258.409 3.117 20 0 CGADHO C[C@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCCNC1 ZINC000423350298 236046919 /nfs/dbraw/zinc/04/69/19/236046919.db2.gz XGJUVMQZSZJRIX-IRXDYDNUSA-N 1 3 258.409 3.117 20 0 CGADHO C[C@H](NCCCC[NH3+])c1nc(-c2ccccc2)cs1 ZINC000423343393 236045505 /nfs/dbraw/zinc/04/55/05/236045505.db2.gz WFNDMGKDRHSUNF-LBPRGKRZSA-N 1 3 275.421 3.200 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000482163650 535365446 /nfs/dbraw/zinc/36/54/46/535365446.db2.gz LWCBBOGIAUZVMC-YESZJQIVSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000482163650 535365449 /nfs/dbraw/zinc/36/54/49/535365449.db2.gz LWCBBOGIAUZVMC-YESZJQIVSA-N 1 3 264.457 3.443 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C2CC2)cc1 ZINC000423373776 236054436 /nfs/dbraw/zinc/05/44/36/236054436.db2.gz JNHLPCAQECPYAA-QGTPRVQTSA-N 1 3 272.436 3.046 20 0 CGADHO COc1ccc([C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000423404708 236064948 /nfs/dbraw/zinc/06/49/48/236064948.db2.gz XPMWAGUUWNKXHO-HLLBOEOZSA-N 1 3 274.408 3.006 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nccc2ccccc21 ZINC000423429584 236069067 /nfs/dbraw/zinc/06/90/67/236069067.db2.gz HGDDTBRVIFEKEV-JEBQAFNWSA-N 1 3 295.430 3.274 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000423440803 236071610 /nfs/dbraw/zinc/07/16/10/236071610.db2.gz OVQPSHAJTSCVRT-HPEXNQPKSA-N 1 3 280.362 3.004 20 0 CGADHO CCOc1ccc([C@H](CC)[NH2+][C@@H](C)[C@H](C)N)cc1OCC ZINC000423453750 236074590 /nfs/dbraw/zinc/07/45/90/236074590.db2.gz YAPAVTLYKWEKDC-YDHLFZDLSA-N 1 3 294.439 3.260 20 0 CGADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccncc1 ZINC000423517458 236092623 /nfs/dbraw/zinc/09/26/23/236092623.db2.gz YWJCVZJVKACWGE-YOEHRIQHSA-N 1 3 269.392 3.212 20 0 CGADHO C[C@H](CN[C@@H]1CCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000424364437 236157122 /nfs/dbraw/zinc/15/71/22/236157122.db2.gz DRXUNLSYMOXYFM-KCPJHIHWSA-N 1 3 266.816 3.303 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1F ZINC000425938690 236274422 /nfs/dbraw/zinc/27/44/22/236274422.db2.gz RBLPCWPGHUBYSJ-NEPJUHHUSA-N 1 3 284.444 3.396 20 0 CGADHO CCc1ccc2nccc(N3CC[C@@H](C[NH+](C)C)C3)c2c1 ZINC000294860502 199217954 /nfs/dbraw/zinc/21/79/54/199217954.db2.gz DARRXNVODSFOEZ-HNNXBMFYSA-N 1 3 283.419 3.185 20 0 CGADHO [NH3+]CCCN[C@H]1CCCCc2ccc(Br)cc21 ZINC000423188655 283433658 /nfs/dbraw/zinc/43/36/58/283433658.db2.gz LZZFEYNJDLGFQW-AWEZNQCLSA-N 1 3 297.240 3.155 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3sccc32)cc1 ZINC000516867884 283529079 /nfs/dbraw/zinc/52/90/79/283529079.db2.gz XCTKYZWWOJWPJG-OAHLLOKOSA-N 1 3 272.417 3.374 20 0 CGADHO c1ccc(C[C@@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000178411902 189114545 /nfs/dbraw/zinc/11/45/45/189114545.db2.gz KVFSAEZCJMHADZ-GOSISDBHSA-N 1 3 272.436 3.083 20 0 CGADHO NC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCC1 ZINC000342126058 216227202 /nfs/dbraw/zinc/22/72/02/216227202.db2.gz LNLCZJDMEXXGMH-UHFFFAOYSA-N 1 3 296.414 3.237 20 0 CGADHO CC(C)N1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000180402217 189253763 /nfs/dbraw/zinc/25/37/63/189253763.db2.gz DSYWTDKNNVRFHV-OAHLLOKOSA-N 1 3 289.467 3.276 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000183193194 299343725 /nfs/dbraw/zinc/34/37/25/299343725.db2.gz DRXFTILOEKGRHW-OFQRWUPVSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C[C@@H](C)O1 ZINC000537969181 288555813 /nfs/dbraw/zinc/55/58/13/288555813.db2.gz OGHOKWGBBNEYJB-ILOCAZANSA-N 1 3 296.499 3.290 20 0 CGADHO CCC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C(C)(C)C ZINC000451439791 240302299 /nfs/dbraw/zinc/30/22/99/240302299.db2.gz OPKLTFSXCHQWAA-QGZVFWFLSA-N 1 3 297.531 3.207 20 0 CGADHO Cc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccn1 ZINC000302355345 201438560 /nfs/dbraw/zinc/43/85/60/201438560.db2.gz YZWZPFJNTNEYSJ-KBPBESRZSA-N 1 3 261.413 3.170 20 0 CGADHO Cc1cc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccn1 ZINC000302534751 201473677 /nfs/dbraw/zinc/47/36/77/201473677.db2.gz DPEPJHUFFDCODI-KCQAQPDRSA-N 1 3 261.413 3.168 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC000477925349 243060445 /nfs/dbraw/zinc/06/04/45/243060445.db2.gz UNDLTAVUABAZKV-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000480161926 243140135 /nfs/dbraw/zinc/14/01/35/243140135.db2.gz KIBSGKFUBUOBKQ-IBGZPJMESA-N 1 3 286.463 3.392 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000019942883 368788092 /nfs/dbraw/zinc/78/80/92/368788092.db2.gz VUNYTEVIGBJFKU-MRXNPFEDSA-N 1 3 262.441 3.329 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]CCCN1CCC(C)CC1 ZINC000035451713 369003305 /nfs/dbraw/zinc/00/33/05/369003305.db2.gz WWYABHOSJZUAFX-MRXNPFEDSA-N 1 3 278.440 3.312 20 0 CGADHO CCOc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000035052971 368992982 /nfs/dbraw/zinc/99/29/82/368992982.db2.gz UEAPKNUYPKNAJH-CQSZACIVSA-N 1 3 276.424 3.220 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C)o1 ZINC000037648962 369095123 /nfs/dbraw/zinc/09/51/23/369095123.db2.gz PIELYJYXQPGWCS-JSGCOSHPSA-N 1 3 262.397 3.031 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649510 369097961 /nfs/dbraw/zinc/09/79/61/369097961.db2.gz AHOJUSPEAVFHJY-GDBMZVCRSA-N 1 3 272.436 3.384 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649510 369097964 /nfs/dbraw/zinc/09/79/64/369097964.db2.gz AHOJUSPEAVFHJY-GDBMZVCRSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1ccc(Cl)s1 ZINC000226350950 189773454 /nfs/dbraw/zinc/77/34/54/189773454.db2.gz XJFCCFKPPHSVJJ-GHMZBOCLSA-N 1 3 272.845 3.064 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000049553686 369409486 /nfs/dbraw/zinc/40/94/86/369409486.db2.gz QLMBURASZHNYMY-ZIAGYGMSSA-N 1 3 260.425 3.166 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000053155371 369479647 /nfs/dbraw/zinc/47/96/47/369479647.db2.gz NJBZDBIFFYOEQK-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO CCOc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197672 369643949 /nfs/dbraw/zinc/64/39/49/369643949.db2.gz XWWXUKGSVYDHHS-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO Cc1ccc(OCCCN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000070174129 369788154 /nfs/dbraw/zinc/78/81/54/369788154.db2.gz CZOSFHLQAFEZMZ-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858011 369841836 /nfs/dbraw/zinc/84/18/36/369841836.db2.gz OWJCOAGIOGKMOV-INIZCTEOSA-N 1 3 297.446 3.317 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858011 369841839 /nfs/dbraw/zinc/84/18/39/369841839.db2.gz OWJCOAGIOGKMOV-INIZCTEOSA-N 1 3 297.446 3.317 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000093770362 370157389 /nfs/dbraw/zinc/15/73/89/370157389.db2.gz MLJKJRRTZHBGOI-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000093770362 370157392 /nfs/dbraw/zinc/15/73/92/370157392.db2.gz MLJKJRRTZHBGOI-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CC1 ZINC000512325260 245032875 /nfs/dbraw/zinc/03/28/75/245032875.db2.gz VFXXQUBBALMKFW-LXZKKBNFSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102496 371011860 /nfs/dbraw/zinc/01/18/60/371011860.db2.gz JAZXUNNVPGEBRD-DYEKYZERSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102496 371011863 /nfs/dbraw/zinc/01/18/63/371011863.db2.gz JAZXUNNVPGEBRD-DYEKYZERSA-N 1 3 298.377 3.421 20 0 CGADHO CNC[C@@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294739 371410715 /nfs/dbraw/zinc/41/07/15/371410715.db2.gz DIUWKMXRHREPPP-PCKAHOCUSA-N 1 3 266.473 3.380 20 0 CGADHO CNC[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294739 371410717 /nfs/dbraw/zinc/41/07/17/371410717.db2.gz DIUWKMXRHREPPP-PCKAHOCUSA-N 1 3 266.473 3.380 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000151110395 371570528 /nfs/dbraw/zinc/57/05/28/371570528.db2.gz RDCSXWXZYVBURK-DAYGRLMNSA-N 1 3 272.436 3.241 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000151110395 371570534 /nfs/dbraw/zinc/57/05/34/371570534.db2.gz RDCSXWXZYVBURK-DAYGRLMNSA-N 1 3 272.436 3.241 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000151110395 371570540 /nfs/dbraw/zinc/57/05/40/371570540.db2.gz RDCSXWXZYVBURK-DAYGRLMNSA-N 1 3 272.436 3.241 20 0 CGADHO COC1([C@H](C)[NH2+]CCCN(C)C(C)C)CCCCC1 ZINC000421819185 371642395 /nfs/dbraw/zinc/64/23/95/371642395.db2.gz FQCHGWIZUZAPHM-HNNXBMFYSA-N 1 3 270.461 3.044 20 0 CGADHO COC1([C@H](C)NCCC[N@H+](C)C(C)C)CCCCC1 ZINC000421819185 371642401 /nfs/dbraw/zinc/64/24/01/371642401.db2.gz FQCHGWIZUZAPHM-HNNXBMFYSA-N 1 3 270.461 3.044 20 0 CGADHO COC1([C@H](C)NCCC[N@@H+](C)C(C)C)CCCCC1 ZINC000421819185 371642406 /nfs/dbraw/zinc/64/24/06/371642406.db2.gz FQCHGWIZUZAPHM-HNNXBMFYSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1=CCN(C)CC1 ZINC000421830682 371654601 /nfs/dbraw/zinc/65/46/01/371654601.db2.gz CLYQGUYXGGROFG-GFCCVEGCSA-N 1 3 296.817 3.262 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](CCCCOc2ccccc2)C[C@H]1CN ZINC000422564335 371752921 /nfs/dbraw/zinc/75/29/21/371752921.db2.gz VRCWFJGTDYEUOG-IXDOHACOSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](CCCCOc2ccccc2)C[C@H]1CN ZINC000422564335 371752927 /nfs/dbraw/zinc/75/29/27/371752927.db2.gz VRCWFJGTDYEUOG-IXDOHACOSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@H](C)N(CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000422564335 371752934 /nfs/dbraw/zinc/75/29/34/371752934.db2.gz VRCWFJGTDYEUOG-IXDOHACOSA-N 1 3 290.451 3.151 20 0 CGADHO Cc1ccc(SCCN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422762957 371792053 /nfs/dbraw/zinc/79/20/53/371792053.db2.gz IOAGFSWKOCSOQX-HOCLYGCPSA-N 1 3 278.465 3.194 20 0 CGADHO Cc1ccc(SCC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422762957 371792059 /nfs/dbraw/zinc/79/20/59/371792059.db2.gz IOAGFSWKOCSOQX-HOCLYGCPSA-N 1 3 278.465 3.194 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 ZINC000422707762 371762118 /nfs/dbraw/zinc/76/21/18/371762118.db2.gz ATCZGKCNVLKZJS-OLZOCXBDSA-N 1 3 273.207 3.005 20 0 CGADHO Fc1ccc([C@@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000422712954 371763856 /nfs/dbraw/zinc/76/38/56/371763856.db2.gz JCQRGAQVYHTDHF-SJORKVTESA-N 1 3 276.399 3.399 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422718221 371766156 /nfs/dbraw/zinc/76/61/56/371766156.db2.gz PLLPLOXHQHHSOR-LVQVYYBASA-N 1 3 252.446 3.308 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422719610 371768307 /nfs/dbraw/zinc/76/83/07/371768307.db2.gz YZGUMJJVKOTSJN-BBRMVZONSA-N 1 3 278.415 3.081 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1ccccc1C(F)(F)F ZINC000337321244 214005020 /nfs/dbraw/zinc/00/50/20/214005020.db2.gz BXOXANZGGHXDJF-UHFFFAOYSA-N 1 3 288.357 3.479 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1ccccc1C(F)(F)F ZINC000337321244 214005021 /nfs/dbraw/zinc/00/50/21/214005021.db2.gz BXOXANZGGHXDJF-UHFFFAOYSA-N 1 3 288.357 3.479 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@@H]1CCC[N@H+](C)C1 ZINC000153698552 371782708 /nfs/dbraw/zinc/78/27/08/371782708.db2.gz OFRMAVAHKZWZLL-HLLBOEOZSA-N 1 3 272.436 3.475 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000153698552 371782714 /nfs/dbraw/zinc/78/27/14/371782714.db2.gz OFRMAVAHKZWZLL-HLLBOEOZSA-N 1 3 272.436 3.475 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000422749836 371785330 /nfs/dbraw/zinc/78/53/30/371785330.db2.gz BCPQSXAZOFMMHP-GUYCJALGSA-N 1 3 295.430 3.057 20 0 CGADHO CC(C)OC[C@@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000337330240 214010771 /nfs/dbraw/zinc/01/07/71/214010771.db2.gz GHERUNXNSOOZRT-MRXNPFEDSA-N 1 3 290.451 3.186 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1cccc(Cl)c1 ZINC000422826870 371830748 /nfs/dbraw/zinc/83/07/48/371830748.db2.gz RIGWIIXVPLCBFC-WFASDCNBSA-N 1 3 280.843 3.335 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422773215 371796700 /nfs/dbraw/zinc/79/67/00/371796700.db2.gz ZMBHGHSOAFEHDM-CJNGLKHVSA-N 1 3 296.455 3.415 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000422774534 371799322 /nfs/dbraw/zinc/79/93/22/371799322.db2.gz XJJXWXOARDJZLE-SMDDNHRTSA-N 1 3 284.856 3.149 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774534 371799326 /nfs/dbraw/zinc/79/93/26/371799326.db2.gz XJJXWXOARDJZLE-SMDDNHRTSA-N 1 3 284.856 3.149 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C(C)(C)c1ccccc1 ZINC000422781531 371803390 /nfs/dbraw/zinc/80/33/90/371803390.db2.gz KWGJJKDKKWFSAL-DZKIICNBSA-N 1 3 262.441 3.458 20 0 CGADHO COc1cc(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)ccc1C ZINC000422790667 371811817 /nfs/dbraw/zinc/81/18/17/371811817.db2.gz VDXHBBLZOPIJNQ-ROUUACIJSA-N 1 3 296.414 3.281 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)c1ccc(F)cc1F ZINC000422801080 371818693 /nfs/dbraw/zinc/81/86/93/371818693.db2.gz DMKRZOCZFGRPBU-HSMVNMDESA-N 1 3 282.378 3.046 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1ccc(F)cc1F ZINC000422801080 371818702 /nfs/dbraw/zinc/81/87/02/371818702.db2.gz DMKRZOCZFGRPBU-HSMVNMDESA-N 1 3 282.378 3.046 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422814901 371827820 /nfs/dbraw/zinc/82/78/20/371827820.db2.gz WIYKDKCHKBYRIT-SZMVWBNQSA-N 1 3 274.452 3.404 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422875184 371848950 /nfs/dbraw/zinc/84/89/50/371848950.db2.gz CDXQPSWEBLDXSR-UONOGXRCSA-N 1 3 270.779 3.229 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890206 371856083 /nfs/dbraw/zinc/85/60/83/371856083.db2.gz HWVMTSATQKEXLK-RBUKOAKNSA-N 1 3 296.414 3.235 20 0 CGADHO CCCCOc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422891101 371857846 /nfs/dbraw/zinc/85/78/46/371857846.db2.gz JYDMCKQNXBJWMR-RDJZCZTQSA-N 1 3 276.424 3.083 20 0 CGADHO CCCCOc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422893774 371858125 /nfs/dbraw/zinc/85/81/25/371858125.db2.gz RGBZJWUBXKRBQL-UONOGXRCSA-N 1 3 264.413 3.081 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1CN)Cc1ccccc1 ZINC000422911624 371863943 /nfs/dbraw/zinc/86/39/43/371863943.db2.gz LFYDXHRPUMEDKD-SJORKVTESA-N 1 3 274.452 3.362 20 0 CGADHO CC(C)c1nc([C@H](C)NC2CCC([NH3+])CC2)cs1 ZINC000422914708 371866425 /nfs/dbraw/zinc/86/64/25/371866425.db2.gz VPCMPOVSHKVQTJ-UNXYVOJBSA-N 1 3 267.442 3.187 20 0 CGADHO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422917017 371868251 /nfs/dbraw/zinc/86/82/51/371868251.db2.gz FFZSLOSNIKTWCZ-XQQFMLRXSA-N 1 3 263.429 3.324 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422932730 371877440 /nfs/dbraw/zinc/87/74/40/371877440.db2.gz GNWPGLCHIQTLIH-ROUUACIJSA-N 1 3 296.414 3.202 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422932483 371878027 /nfs/dbraw/zinc/87/80/27/371878027.db2.gz FXTOKWBLJHQRTE-OLZOCXBDSA-N 1 3 284.831 3.214 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000422847995 371838724 /nfs/dbraw/zinc/83/87/24/371838724.db2.gz JCSPRKOVUHLJOE-CRWXNKLISA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423052847 371935955 /nfs/dbraw/zinc/93/59/55/371935955.db2.gz QPHPBXKNXHTNTB-NXNVCVFFSA-N 1 3 290.451 3.086 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423052847 371935963 /nfs/dbraw/zinc/93/59/63/371935963.db2.gz QPHPBXKNXHTNTB-NXNVCVFFSA-N 1 3 290.451 3.086 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCCCc1ccc(F)cc1 ZINC000423060393 371939230 /nfs/dbraw/zinc/93/92/30/371939230.db2.gz IAXIOJVMLXRIQD-KBPBESRZSA-N 1 3 266.404 3.254 20 0 CGADHO CSCc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423060669 371941101 /nfs/dbraw/zinc/94/11/01/371941101.db2.gz OXICFBBYETZTSA-CVEARBPZSA-N 1 3 278.465 3.157 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CNC1 ZINC000423062921 371941683 /nfs/dbraw/zinc/94/16/83/371941683.db2.gz VFGYQXRVIXUWSQ-GHMZBOCLSA-N 1 3 286.341 3.006 20 0 CGADHO C[C@@H](NC[C@@H](C)c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000423062921 371941690 /nfs/dbraw/zinc/94/16/90/371941690.db2.gz VFGYQXRVIXUWSQ-GHMZBOCLSA-N 1 3 286.341 3.006 20 0 CGADHO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422966304 371895789 /nfs/dbraw/zinc/89/57/89/371895789.db2.gz NLVJDEYYNHPZFW-VFVAKGGASA-N 1 3 285.391 3.129 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422974726 371897880 /nfs/dbraw/zinc/89/78/80/371897880.db2.gz ABQYYTKBERCLJS-RCCFBDPRSA-N 1 3 272.436 3.048 20 0 CGADHO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C2 ZINC000422976620 371899483 /nfs/dbraw/zinc/89/94/83/371899483.db2.gz DHSHYKRIKFYESA-VAMGGRTRSA-N 1 3 298.474 3.302 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCOc1cccc(C(C)(C)C)c1 ZINC000422979052 371899602 /nfs/dbraw/zinc/89/96/02/371899602.db2.gz IUOFRUUDHLEFFR-KBPBESRZSA-N 1 3 278.440 3.078 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422997255 371908822 /nfs/dbraw/zinc/90/88/22/371908822.db2.gz UTQCODQDOAPODP-NVXWUHKLSA-N 1 3 290.426 3.256 20 0 CGADHO Cc1ccsc1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423012520 371914846 /nfs/dbraw/zinc/91/48/46/371914846.db2.gz DHCDGIAGEAGKPE-CABCVRRESA-N 1 3 272.417 3.333 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423015216 371916125 /nfs/dbraw/zinc/91/61/25/371916125.db2.gz KHXCYNQAEIOZAI-LZQZEXGQSA-N 1 3 286.463 3.258 20 0 CGADHO Cc1ccsc1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423014617 371916661 /nfs/dbraw/zinc/91/66/61/371916661.db2.gz JCSYTFMBQNOKNF-GFCCVEGCSA-N 1 3 289.448 3.112 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423020304 371918462 /nfs/dbraw/zinc/91/84/62/371918462.db2.gz ZVKZPEDXRMYORQ-RRFJBIMHSA-N 1 3 278.465 3.109 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCSCC(F)(F)F)c2ccccc21 ZINC000423018050 371919131 /nfs/dbraw/zinc/91/91/31/371919131.db2.gz QADCDXFLUQNSMN-NEPJUHHUSA-N 1 3 290.354 3.016 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024138 371920101 /nfs/dbraw/zinc/92/01/01/371920101.db2.gz LBNBSDIJCDIJLS-SWLSCSKDSA-N 1 3 278.827 3.089 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423024138 371920108 /nfs/dbraw/zinc/92/01/08/371920108.db2.gz LBNBSDIJCDIJLS-SWLSCSKDSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000423025916 371922870 /nfs/dbraw/zinc/92/28/70/371922870.db2.gz PLVJZYRQIYEMSX-SUMWQHHRSA-N 1 3 287.382 3.027 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000423045991 371931031 /nfs/dbraw/zinc/93/10/31/371931031.db2.gz DRMBFKKPWJMSJO-RISCZKNCSA-N 1 3 268.351 3.102 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423046112 371931635 /nfs/dbraw/zinc/93/16/35/371931635.db2.gz DFQZKSCKVLXINH-HOCLYGCPSA-N 1 3 264.457 3.491 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)C1=CCCCC1 ZINC000423049105 371934064 /nfs/dbraw/zinc/93/40/64/371934064.db2.gz IYUOHRVLCDSZCQ-ZFWWWQNUSA-N 1 3 250.430 3.230 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095824 371959939 /nfs/dbraw/zinc/95/99/39/371959939.db2.gz NDITUPHYXMMFPC-SCTFDZSOSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423095824 371959945 /nfs/dbraw/zinc/95/99/45/371959945.db2.gz NDITUPHYXMMFPC-SCTFDZSOSA-N 1 3 294.389 3.189 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101987 371966334 /nfs/dbraw/zinc/96/63/34/371966334.db2.gz WTISKHJJBVGYHO-MUIFIZLQSA-N 1 3 276.399 3.179 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)nc1 ZINC000423103238 371967626 /nfs/dbraw/zinc/96/76/26/371967626.db2.gz GAOYFAWWCUHVJC-IXDOHACOSA-N 1 3 299.462 3.014 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H](c2ccccc2F)C1)[C@@H]1CC[NH2+]C1 ZINC000423105636 371967693 /nfs/dbraw/zinc/96/76/93/371967693.db2.gz ZCHAGSNUTMLNDQ-BYNSBNAKSA-N 1 3 276.399 3.049 20 0 CGADHO c1ccc(C2CC(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423108781 371969500 /nfs/dbraw/zinc/96/95/00/371969500.db2.gz GJZRREVRKAIHGJ-QXWRAYDYSA-N 1 3 270.420 3.053 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCCC23CCOCC3)c2ccccc21 ZINC000423107798 371970112 /nfs/dbraw/zinc/97/01/12/371970112.db2.gz FFKVRQCOUGOAMW-ZACQAIPSSA-N 1 3 286.419 3.070 20 0 CGADHO C[C@H](N[C@H]1CC(C)(C)CCc2ccccc21)C1C[NH2+]C1 ZINC000423110881 371973142 /nfs/dbraw/zinc/97/31/42/371973142.db2.gz WCFLOJIEQZZWDW-GUYCJALGSA-N 1 3 272.436 3.288 20 0 CGADHO C[C@H]([NH2+][C@H]1CC(C)(C)CCc2ccccc21)C1CNC1 ZINC000423110881 371973148 /nfs/dbraw/zinc/97/31/48/371973148.db2.gz WCFLOJIEQZZWDW-GUYCJALGSA-N 1 3 272.436 3.288 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(C)(F)F)cc1 ZINC000423139568 371987358 /nfs/dbraw/zinc/98/73/58/371987358.db2.gz VNAKVFHFTMIZPE-MNOVXSKESA-N 1 3 256.340 3.014 20 0 CGADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C2CC2)c1 ZINC000423146565 371990623 /nfs/dbraw/zinc/99/06/23/371990623.db2.gz PQHWSKLOBFMXFU-DYVFJYSZSA-N 1 3 258.409 3.357 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146459 371990830 /nfs/dbraw/zinc/99/08/30/371990830.db2.gz PJQKHDKIGDCAOV-FDYHWXHSSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146459 371990835 /nfs/dbraw/zinc/99/08/35/371990835.db2.gz PJQKHDKIGDCAOV-FDYHWXHSSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCC[C@@H]2C[NH3+])c2ccccc2O1 ZINC000423151845 371994315 /nfs/dbraw/zinc/99/43/15/371994315.db2.gz CZQUQJZOHFUSDD-LUYZLQTOSA-N 1 3 274.408 3.006 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423167041 371999913 /nfs/dbraw/zinc/99/99/13/371999913.db2.gz RVCSEYHKHTXKFW-LAVFITLUSA-N 1 3 274.452 3.359 20 0 CGADHO C[C@@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000423077803 371950475 /nfs/dbraw/zinc/95/04/75/371950475.db2.gz UPSULHVSVSOGMB-XEZPLFJOSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H](CC[NH2+]C1CC(OC(C)(C)C)C1)N1CCCCC1 ZINC000157363070 372017591 /nfs/dbraw/zinc/01/75/91/372017591.db2.gz RDWRLVWTJNCBBE-QQFBHYJXSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](CCNC1CC(OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000157363070 372017598 /nfs/dbraw/zinc/01/75/98/372017598.db2.gz RDWRLVWTJNCBBE-QQFBHYJXSA-N 1 3 282.472 3.187 20 0 CGADHO C[NH2+]CCCN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423200920 372025156 /nfs/dbraw/zinc/02/51/56/372025156.db2.gz NKMMBXDKAQPPEQ-HNNXBMFYSA-N 1 3 260.425 3.086 20 0 CGADHO CNCCC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423200920 372025162 /nfs/dbraw/zinc/02/51/62/372025162.db2.gz NKMMBXDKAQPPEQ-HNNXBMFYSA-N 1 3 260.425 3.086 20 0 CGADHO CC[NH+]1CCC(N(C)CCc2ccccc2Cl)CC1 ZINC000157508585 372026011 /nfs/dbraw/zinc/02/60/11/372026011.db2.gz RTNDEBGJQZGDSF-UHFFFAOYSA-N 1 3 280.843 3.299 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423222986 372039901 /nfs/dbraw/zinc/03/99/01/372039901.db2.gz DKUNADBRCDMSJS-IINYFYTJSA-N 1 3 286.341 3.483 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423222584 372040355 /nfs/dbraw/zinc/04/03/55/372040355.db2.gz BSTJBQJGSACECI-TUAOUCFPSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423222584 372040357 /nfs/dbraw/zinc/04/03/57/372040357.db2.gz BSTJBQJGSACECI-TUAOUCFPSA-N 1 3 254.805 3.159 20 0 CGADHO [NH3+]C[C@@H](N[C@H]1CCc2ccccc21)C1CCCCC1 ZINC000423269597 372046578 /nfs/dbraw/zinc/04/65/78/372046578.db2.gz VXBHQOFVZYCTRV-DLBZAZTESA-N 1 3 258.409 3.171 20 0 CGADHO Cc1ccc([C@@H](NC[C@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000423346774 372053993 /nfs/dbraw/zinc/05/39/93/372053993.db2.gz QESWSXRSBGZBHU-QZTJIDSGSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@]2(C)CCCNC2)C2CC2)cc1 ZINC000423346774 372053997 /nfs/dbraw/zinc/05/39/97/372053997.db2.gz QESWSXRSBGZBHU-QZTJIDSGSA-N 1 3 272.436 3.425 20 0 CGADHO C[C@@]1(CN[C@H]2CCCc3ccccc32)CCC[NH2+]C1 ZINC000423346176 372054277 /nfs/dbraw/zinc/05/42/77/372054277.db2.gz ZLGMVCZFEVXNNC-DLBZAZTESA-N 1 3 258.409 3.043 20 0 CGADHO C[C@@]1(C[NH2+][C@H]2CCCc3ccccc32)CCCNC1 ZINC000423346176 372054285 /nfs/dbraw/zinc/05/42/85/372054285.db2.gz ZLGMVCZFEVXNNC-DLBZAZTESA-N 1 3 258.409 3.043 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C(C)C)cc1 ZINC000423364838 372055824 /nfs/dbraw/zinc/05/58/24/372055824.db2.gz BJEDCVVFQWBJDM-SZMVWBNQSA-N 1 3 274.452 3.292 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@H]2C)c2ccccc21 ZINC000423391765 372057597 /nfs/dbraw/zinc/05/75/97/372057597.db2.gz LAKUMGPWVGJPRI-QCSYZSNVSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCN ZINC000423177977 372007551 /nfs/dbraw/zinc/00/75/51/372007551.db2.gz BJZXRVKBOBSRTN-ZDUSSCGKSA-N 1 3 273.424 3.163 20 0 CGADHO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccccn1 ZINC000159158161 372111198 /nfs/dbraw/zinc/11/11/98/372111198.db2.gz ZBVNDLVWVPXSNY-DZGCQCFKSA-N 1 3 263.429 3.099 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423461885 372066178 /nfs/dbraw/zinc/06/61/78/372066178.db2.gz CYFFBSMCPLLVEH-UFGOTCBOSA-N 1 3 298.352 3.198 20 0 CGADHO CCCC[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423533684 372071934 /nfs/dbraw/zinc/07/19/34/372071934.db2.gz YENXIRVGPWEYJD-XXXXFFMBSA-N 1 3 264.457 3.308 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424368723 372085602 /nfs/dbraw/zinc/08/56/02/372085602.db2.gz AGUKUNQHCDZHPS-APHBMKBZSA-N 1 3 262.397 3.006 20 0 CGADHO CC(C)CCC[NH+]1CCC(N2CCCCC2)CC1 ZINC000429052345 372310009 /nfs/dbraw/zinc/31/00/09/372310009.db2.gz DYPVIRMVBSITIK-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000429554379 372373152 /nfs/dbraw/zinc/37/31/52/372373152.db2.gz JEVLBPZRVNJUDV-QFBILLFUSA-N 1 3 286.463 3.208 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000429554379 372373162 /nfs/dbraw/zinc/37/31/62/372373162.db2.gz JEVLBPZRVNJUDV-QFBILLFUSA-N 1 3 286.463 3.208 20 0 CGADHO CC(C)(C)c1ccc(OCCCN2CC[C@@H](C[NH3+])C2)cc1 ZINC000430920973 372405585 /nfs/dbraw/zinc/40/55/85/372405585.db2.gz WTRJZPULRQSJEI-HNNXBMFYSA-N 1 3 290.451 3.034 20 0 CGADHO C[NH2+]C[C@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000430924061 372406688 /nfs/dbraw/zinc/40/66/88/372406688.db2.gz HUBXOBUUXOUBKD-MRXNPFEDSA-N 1 3 282.431 3.314 20 0 CGADHO Fc1ccc(/C=C\CN2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC000430930633 372406945 /nfs/dbraw/zinc/40/69/45/372406945.db2.gz BMHNPCNFNMGBRV-UPHRSURJSA-N 1 3 292.373 3.054 20 0 CGADHO C[C@H]1CN(CCCc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430958537 372409913 /nfs/dbraw/zinc/40/99/13/372409913.db2.gz YFTONIIGPXKYDL-KXBFYZLASA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000430972507 372412167 /nfs/dbraw/zinc/41/21/67/372412167.db2.gz QCZJAKLAGJTUGU-KSSFIOAISA-N 1 3 268.404 3.051 20 0 CGADHO C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000430972507 372412175 /nfs/dbraw/zinc/41/21/75/372412175.db2.gz QCZJAKLAGJTUGU-KSSFIOAISA-N 1 3 268.404 3.051 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000163224690 372455208 /nfs/dbraw/zinc/45/52/08/372455208.db2.gz GUTMZMCBGMCUIY-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224690 372455215 /nfs/dbraw/zinc/45/52/15/372455215.db2.gz GUTMZMCBGMCUIY-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224690 372455219 /nfs/dbraw/zinc/45/52/19/372455219.db2.gz GUTMZMCBGMCUIY-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccccc1F ZINC000163828465 372494978 /nfs/dbraw/zinc/49/49/78/372494978.db2.gz IXGIAUNZXBYXFE-SWLSCSKDSA-N 1 3 252.377 3.207 20 0 CGADHO CC[C@H](NC1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000294468791 372656155 /nfs/dbraw/zinc/65/61/55/372656155.db2.gz VMJHDMYPKMJLLS-HNNXBMFYSA-N 1 3 264.438 3.416 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000294175700 372603406 /nfs/dbraw/zinc/60/34/06/372603406.db2.gz DBGVTTDMWMQTCL-SWLSCSKDSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175700 372603415 /nfs/dbraw/zinc/60/34/15/372603415.db2.gz DBGVTTDMWMQTCL-SWLSCSKDSA-N 1 3 264.438 3.273 20 0 CGADHO CN(Cc1cccc(-c2cccnc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435434031 372761948 /nfs/dbraw/zinc/76/19/48/372761948.db2.gz VVPIVTGMWVHBIS-LJQANCHMSA-N 1 3 295.430 3.323 20 0 CGADHO CCN(CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435618021 372784122 /nfs/dbraw/zinc/78/41/22/372784122.db2.gz PCKXWFMUYRPXTD-BRWVUGGUSA-N 1 3 282.472 3.046 20 0 CGADHO C[NH2+]CCCN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875737 372822907 /nfs/dbraw/zinc/82/29/07/372822907.db2.gz UHMKYWJUSKECLR-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875737 372822910 /nfs/dbraw/zinc/82/29/10/372822910.db2.gz UHMKYWJUSKECLR-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO CNCCC[N@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000435875737 372822919 /nfs/dbraw/zinc/82/29/19/372822919.db2.gz UHMKYWJUSKECLR-WBVHZDCISA-N 1 3 260.425 3.378 20 0 CGADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1ccc(F)cc1F ZINC000353448690 220089214 /nfs/dbraw/zinc/08/92/14/220089214.db2.gz OEZGJFBKSUZITL-XGNXJENSSA-N 1 3 282.378 3.488 20 0 CGADHO Cc1ccsc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296016952 372995960 /nfs/dbraw/zinc/99/59/60/372995960.db2.gz RPBFIHVPRVSCPX-RLAWYHOSSA-N 1 3 264.438 3.332 20 0 CGADHO Cc1ccsc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296016952 372995963 /nfs/dbraw/zinc/99/59/63/372995963.db2.gz RPBFIHVPRVSCPX-RLAWYHOSSA-N 1 3 264.438 3.332 20 0 CGADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000296365538 373106490 /nfs/dbraw/zinc/10/64/90/373106490.db2.gz IFZYKNPHSBYYAE-HOCLYGCPSA-N 1 3 296.480 3.290 20 0 CGADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccsc1 ZINC000296365538 373106498 /nfs/dbraw/zinc/10/64/98/373106498.db2.gz IFZYKNPHSBYYAE-HOCLYGCPSA-N 1 3 296.480 3.290 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000443057865 373145427 /nfs/dbraw/zinc/14/54/27/373145427.db2.gz ILZBNDUXJJNFPA-LBPRGKRZSA-N 1 3 284.806 3.082 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000444638534 373217465 /nfs/dbraw/zinc/21/74/65/373217465.db2.gz JEAFCLHRAXGDGE-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000444638534 373217467 /nfs/dbraw/zinc/21/74/67/373217467.db2.gz JEAFCLHRAXGDGE-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000444638534 373217470 /nfs/dbraw/zinc/21/74/70/373217470.db2.gz JEAFCLHRAXGDGE-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000444638534 373217472 /nfs/dbraw/zinc/21/74/72/373217472.db2.gz JEAFCLHRAXGDGE-OALUTQOASA-N 1 3 286.463 3.208 20 0 CGADHO CN(C)CCOCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000447600562 373463344 /nfs/dbraw/zinc/46/33/44/373463344.db2.gz MQZIAQAUCWDLSP-SFHVURJKSA-N 1 3 290.451 3.086 20 0 CGADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448056898 373543301 /nfs/dbraw/zinc/54/33/01/373543301.db2.gz SSSVQYSGLUYDHK-GJZGRUSLSA-N 1 3 264.457 3.277 20 0 CGADHO COCC1CCC([NH2+]CCCN(C)C2CCCCC2)CC1 ZINC000449060077 373658537 /nfs/dbraw/zinc/65/85/37/373658537.db2.gz DODPQGHYPUOVMG-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](CCCCO)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449430094 373706836 /nfs/dbraw/zinc/70/68/36/373706836.db2.gz WHOKBVQVGQWRGS-RYRKJORJSA-N 1 3 296.499 3.170 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029646 373736655 /nfs/dbraw/zinc/73/66/55/373736655.db2.gz VNUNHPVGLPBCEL-RHSMWYFYSA-N 1 3 272.436 3.340 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178029646 373736662 /nfs/dbraw/zinc/73/66/62/373736662.db2.gz VNUNHPVGLPBCEL-RHSMWYFYSA-N 1 3 272.436 3.340 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3COCC3(C)C)CC2)C1 ZINC000449623180 373835964 /nfs/dbraw/zinc/83/59/64/373835964.db2.gz HSIBGOAPRPRLJM-OIISXLGYSA-N 1 3 294.483 3.044 20 0 CGADHO COCCC[C@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000178499253 373784030 /nfs/dbraw/zinc/78/40/30/373784030.db2.gz OUWBGJIDWVQYGQ-HNNXBMFYSA-N 1 3 270.461 3.046 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)C2(O)CCCC2)CC1 ZINC000449740358 373869508 /nfs/dbraw/zinc/86/95/08/373869508.db2.gz ORTCOSBDIXGNDL-UHFFFAOYSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCC(C)(C)C2(O)CCCC2)CC1 ZINC000449740358 373869517 /nfs/dbraw/zinc/86/95/17/373869517.db2.gz ORTCOSBDIXGNDL-UHFFFAOYSA-N 1 3 296.499 3.170 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448621 374134780 /nfs/dbraw/zinc/13/47/80/374134780.db2.gz BSQWIQBNVUFTQQ-CABCVRRESA-N 1 3 286.410 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448621 374134782 /nfs/dbraw/zinc/13/47/82/374134782.db2.gz BSQWIQBNVUFTQQ-CABCVRRESA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448621 374134783 /nfs/dbraw/zinc/13/47/83/374134783.db2.gz BSQWIQBNVUFTQQ-CABCVRRESA-N 1 3 286.410 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450448621 374134784 /nfs/dbraw/zinc/13/47/84/374134784.db2.gz BSQWIQBNVUFTQQ-CABCVRRESA-N 1 3 286.410 3.086 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000451138743 374193914 /nfs/dbraw/zinc/19/39/14/374193914.db2.gz BXAFZXPHFBPDFT-JSRQGNBESA-N 1 3 282.472 3.043 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000451138743 374193919 /nfs/dbraw/zinc/19/39/19/374193919.db2.gz BXAFZXPHFBPDFT-JSRQGNBESA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310768600 374223750 /nfs/dbraw/zinc/22/37/50/374223750.db2.gz SIVIROZLUZENEK-QKPAOTATSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1c(F)cccc1F ZINC000310940789 374229110 /nfs/dbraw/zinc/22/91/10/374229110.db2.gz WOGXJMKVFFPPBN-WDEREUQCSA-N 1 3 256.340 3.133 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OC(F)F)c1)CN(C)C ZINC000312528118 374281114 /nfs/dbraw/zinc/28/11/14/374281114.db2.gz PKOLMYCSRLKDCV-RYUDHWBXSA-N 1 3 286.366 3.136 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2ccccn2)CC1 ZINC000182744259 374320601 /nfs/dbraw/zinc/32/06/01/374320601.db2.gz YGHUKHVXJPDHDY-UHFFFAOYSA-N 1 3 289.467 3.416 20 0 CGADHO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc12 ZINC000317465411 374339955 /nfs/dbraw/zinc/33/99/55/374339955.db2.gz WJUFNXPLCZYGTB-GDBMZVCRSA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc12 ZINC000317465411 374339964 /nfs/dbraw/zinc/33/99/64/374339964.db2.gz WJUFNXPLCZYGTB-GDBMZVCRSA-N 1 3 298.430 3.421 20 0 CGADHO Cc1csc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c1 ZINC000453330408 374424491 /nfs/dbraw/zinc/42/44/91/374424491.db2.gz YTWVBYAKGLXGDJ-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000453330408 374424500 /nfs/dbraw/zinc/42/45/00/374424500.db2.gz YTWVBYAKGLXGDJ-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000453330408 374424506 /nfs/dbraw/zinc/42/45/06/374424506.db2.gz YTWVBYAKGLXGDJ-RRFJBIMHSA-N 1 3 264.438 3.019 20 0 CGADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCCCC1 ZINC000092107466 541971512 /nfs/dbraw/zinc/97/15/12/541971512.db2.gz UYJOHYZDPSAVNG-UHFFFAOYSA-N 1 3 288.435 3.147 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000094952974 541990324 /nfs/dbraw/zinc/99/03/24/541990324.db2.gz LHJZJNKVBXBWEA-UBHSHLNASA-N 1 3 250.361 3.055 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC1(C)C)N1CCCCC1 ZINC000487549172 375251786 /nfs/dbraw/zinc/25/17/86/375251786.db2.gz NBJJHVFDCPGRTQ-ILXRZTDVSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)CN(C)C ZINC000491589236 375335335 /nfs/dbraw/zinc/33/53/35/375335335.db2.gz PCULMVHGLLUPSA-HYVNUMGLSA-N 1 3 260.425 3.110 20 0 CGADHO [NH3+]CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000336052940 375649496 /nfs/dbraw/zinc/64/94/96/375649496.db2.gz NOMIMBCYORXOKY-UHFFFAOYSA-N 1 3 289.810 3.059 20 0 CGADHO c1ccc2c(c1)NCCC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000192618619 375772051 /nfs/dbraw/zinc/77/20/51/375772051.db2.gz CEOQNUYQQWMXGY-GOSISDBHSA-N 1 3 287.451 3.399 20 0 CGADHO CCOC1CC(C[NH2+][C@@H]2CCCC[C@H]2CN(CC)CC)C1 ZINC000509127357 375772754 /nfs/dbraw/zinc/77/27/54/375772754.db2.gz WUKJSAKEHJDQQA-JYSRZZCRSA-N 1 3 296.499 3.292 20 0 CGADHO Oc1cccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192922279 375802914 /nfs/dbraw/zinc/80/29/14/375802914.db2.gz HVILECKMTCAIPS-GOSISDBHSA-N 1 3 296.414 3.004 20 0 CGADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000336684593 375903003 /nfs/dbraw/zinc/90/30/03/375903003.db2.gz SUNKMFTXVWBASF-MFKMUULPSA-N 1 3 285.229 3.085 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@H](c1ccco1)c1ccccc1 ZINC000336814721 375968532 /nfs/dbraw/zinc/96/85/32/375968532.db2.gz GIHHKWPEQXEVGD-BBRMVZONSA-N 1 3 258.365 3.086 20 0 CGADHO CSC1(CNCCC[N@H+](C)C2CCCCC2)CC1 ZINC000336789886 375939944 /nfs/dbraw/zinc/93/99/44/375939944.db2.gz VIAWRIWOCIILMK-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CSC1(CNCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000336789886 375939949 /nfs/dbraw/zinc/93/99/49/375939949.db2.gz VIAWRIWOCIILMK-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CSC1(C[NH2+]CCCN(C)C2CCCCC2)CC1 ZINC000336789886 375939954 /nfs/dbraw/zinc/93/99/54/375939954.db2.gz VIAWRIWOCIILMK-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2cnc(C)s2)CC1 ZINC000336797563 375944874 /nfs/dbraw/zinc/94/48/74/375944874.db2.gz ATQXMSMOKSYHCK-UHFFFAOYSA-N 1 3 281.469 3.005 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029195 375950014 /nfs/dbraw/zinc/95/00/14/375950014.db2.gz IBHXBZCTPRWSIJ-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000194029195 375950017 /nfs/dbraw/zinc/95/00/17/375950017.db2.gz IBHXBZCTPRWSIJ-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H](C)c2ccccc2)C1 ZINC000194029195 375950023 /nfs/dbraw/zinc/95/00/23/375950023.db2.gz IBHXBZCTPRWSIJ-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H](C)c2ccccc2)C1 ZINC000194029195 375950024 /nfs/dbraw/zinc/95/00/24/375950024.db2.gz IBHXBZCTPRWSIJ-SJORKVTESA-N 1 3 274.452 3.454 20 0 CGADHO C[C@@H]([N@H+](C)Cc1ccc2c(c1)CNCC2)C(C)(C)C ZINC000211949937 376136301 /nfs/dbraw/zinc/13/63/01/376136301.db2.gz VQDTWMBGQPWJKA-CYBMUJFWSA-N 1 3 260.425 3.199 20 0 CGADHO C[C@@H]([N@@H+](C)Cc1ccc2c(c1)CNCC2)C(C)(C)C ZINC000211949937 376136307 /nfs/dbraw/zinc/13/63/07/376136307.db2.gz VQDTWMBGQPWJKA-CYBMUJFWSA-N 1 3 260.425 3.199 20 0 CGADHO CCC(CC)(CC)[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000211976702 376137085 /nfs/dbraw/zinc/13/70/85/376137085.db2.gz WYZSDJQEXOVADO-UHFFFAOYSA-N 1 3 260.425 3.391 20 0 CGADHO Cc1cccc(C)c1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000215383863 376148542 /nfs/dbraw/zinc/14/85/42/376148542.db2.gz OCJRCXOQBCYCPF-CQSZACIVSA-N 1 3 260.425 3.125 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)C1 ZINC000537296699 376160899 /nfs/dbraw/zinc/16/08/99/376160899.db2.gz YTVQPKUACMRTDN-VQHPVUNQSA-N 1 3 296.499 3.148 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000536694911 376124829 /nfs/dbraw/zinc/12/48/29/376124829.db2.gz COZUOCDEAVBIBD-DOTOQJQBSA-N 1 3 262.441 3.006 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000536694911 376124840 /nfs/dbraw/zinc/12/48/40/376124840.db2.gz COZUOCDEAVBIBD-DOTOQJQBSA-N 1 3 262.441 3.006 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337990861 376250694 /nfs/dbraw/zinc/25/06/94/376250694.db2.gz FGNYQPLRIUCYJY-HYVNUMGLSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000227031328 376378979 /nfs/dbraw/zinc/37/89/79/376378979.db2.gz CWHOMAYPJOZFMK-AEFFLSMTSA-N 1 3 274.452 3.328 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000227074006 376381424 /nfs/dbraw/zinc/38/14/24/376381424.db2.gz MWPBOZIIABZAET-JKSUJKDBSA-N 1 3 260.425 3.171 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000541559114 376457438 /nfs/dbraw/zinc/45/74/38/376457438.db2.gz SLYMMOKRFKUFEM-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CCCCCC1 ZINC000541564437 376459235 /nfs/dbraw/zinc/45/92/35/376459235.db2.gz PRTDFFKITYJOTB-AWEZNQCLSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000541602935 376466677 /nfs/dbraw/zinc/46/66/77/376466677.db2.gz DJNYPEKVENBGPZ-FRRDWIJNSA-N 1 3 292.389 3.427 20 0 CGADHO C[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(F)(F)F ZINC000541602935 376466683 /nfs/dbraw/zinc/46/66/83/376466683.db2.gz DJNYPEKVENBGPZ-FRRDWIJNSA-N 1 3 292.389 3.427 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C(F)(F)F ZINC000541602935 376466687 /nfs/dbraw/zinc/46/66/87/376466687.db2.gz DJNYPEKVENBGPZ-FRRDWIJNSA-N 1 3 292.389 3.427 20 0 CGADHO CCC[NH+]1CCC(N(C)[C@@H](C)Cc2ccsc2)CC1 ZINC000542152838 376511186 /nfs/dbraw/zinc/51/11/86/376511186.db2.gz USPNSZAFSDCJMA-AWEZNQCLSA-N 1 3 280.481 3.485 20 0 CGADHO CN(Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000231460512 376559741 /nfs/dbraw/zinc/55/97/41/376559741.db2.gz JZJXZEOVZGBFGM-GOSISDBHSA-N 1 3 268.404 3.414 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236791378 376697058 /nfs/dbraw/zinc/69/70/58/376697058.db2.gz HAKDUGJIJGUEGG-UHFFFAOYSA-N 1 3 285.435 3.378 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000545196103 376795854 /nfs/dbraw/zinc/79/58/54/376795854.db2.gz URVJJCZJDJXBHY-INIZCTEOSA-N 1 3 297.446 3.416 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000545196103 376795861 /nfs/dbraw/zinc/79/58/61/376795861.db2.gz URVJJCZJDJXBHY-INIZCTEOSA-N 1 3 297.446 3.416 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000245537828 376845143 /nfs/dbraw/zinc/84/51/43/376845143.db2.gz JFZOXKHAPUYHAS-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000245537828 376845150 /nfs/dbraw/zinc/84/51/50/376845150.db2.gz JFZOXKHAPUYHAS-JKSUJKDBSA-N 1 3 275.440 3.244 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2CC[C@H]2CCCN2C)n1 ZINC000245576279 376860165 /nfs/dbraw/zinc/86/01/65/376860165.db2.gz BAWMATYNPSTDES-WBVHZDCISA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)n1 ZINC000245576279 376860170 /nfs/dbraw/zinc/86/01/70/376860170.db2.gz BAWMATYNPSTDES-WBVHZDCISA-N 1 3 273.424 3.011 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCc3ccc(C)cc32)C1 ZINC000246864431 377108280 /nfs/dbraw/zinc/10/82/80/377108280.db2.gz DDRYOILSKOKUPK-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCc3ccc(C)cc32)C1 ZINC000246864431 377108284 /nfs/dbraw/zinc/10/82/84/377108284.db2.gz DDRYOILSKOKUPK-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000246864431 377108287 /nfs/dbraw/zinc/10/82/87/377108287.db2.gz DDRYOILSKOKUPK-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(C)c2C)C1 ZINC000246844769 377102685 /nfs/dbraw/zinc/10/26/85/377102685.db2.gz CHWVYIRYHLASJU-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(C)c2C)C1 ZINC000246844769 377102694 /nfs/dbraw/zinc/10/26/94/377102694.db2.gz CHWVYIRYHLASJU-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(C)c2C)C1 ZINC000246844769 377102702 /nfs/dbraw/zinc/10/27/02/377102702.db2.gz CHWVYIRYHLASJU-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000560525861 377163500 /nfs/dbraw/zinc/16/35/00/377163500.db2.gz BNHNYYZANUFLOZ-KCXAZCMYSA-N 1 3 296.817 3.442 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000560525861 377163507 /nfs/dbraw/zinc/16/35/07/377163507.db2.gz BNHNYYZANUFLOZ-KCXAZCMYSA-N 1 3 296.817 3.442 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000560525861 377163511 /nfs/dbraw/zinc/16/35/11/377163511.db2.gz BNHNYYZANUFLOZ-KCXAZCMYSA-N 1 3 296.817 3.442 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554679 377170741 /nfs/dbraw/zinc/17/07/41/377170741.db2.gz HUEIMNBVAITKMW-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000560554679 377170745 /nfs/dbraw/zinc/17/07/45/377170745.db2.gz HUEIMNBVAITKMW-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)cc2)C1 ZINC000247187378 377174041 /nfs/dbraw/zinc/17/40/41/377174041.db2.gz VPSADLOLGMOEKZ-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C)cc2)C1 ZINC000247187378 377174046 /nfs/dbraw/zinc/17/40/46/377174046.db2.gz VPSADLOLGMOEKZ-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000247187378 377174048 /nfs/dbraw/zinc/17/40/48/377174048.db2.gz VPSADLOLGMOEKZ-CVEARBPZSA-N 1 3 260.425 3.378 20 0 CGADHO CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000247222413 377179218 /nfs/dbraw/zinc/17/92/18/377179218.db2.gz XUDAELKEWDJOKT-ZMSDIMECSA-N 1 3 290.451 3.292 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247234908 377184353 /nfs/dbraw/zinc/18/43/53/377184353.db2.gz XFCZSWLVXVTKRB-KYHPRHEASA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247234908 377184362 /nfs/dbraw/zinc/18/43/62/377184362.db2.gz XFCZSWLVXVTKRB-KYHPRHEASA-N 1 3 290.451 3.081 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562960388 377378790 /nfs/dbraw/zinc/37/87/90/377378790.db2.gz POYBFYKDTPRNBE-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000562960388 377378799 /nfs/dbraw/zinc/37/87/99/377378799.db2.gz POYBFYKDTPRNBE-HRCADAONSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(C[C@H]2CCCN(C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137720 377406597 /nfs/dbraw/zinc/40/65/97/377406597.db2.gz LMQDXVVBJFBOJC-MOPGFXCFSA-N 1 3 286.463 3.249 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000249374082 377493937 /nfs/dbraw/zinc/49/39/37/377493937.db2.gz HEJDPAZYIKFLFZ-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(C)cc2C)C1 ZINC000249374082 377493948 /nfs/dbraw/zinc/49/39/48/377493948.db2.gz HEJDPAZYIKFLFZ-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C)cc2C)C1 ZINC000249374082 377493956 /nfs/dbraw/zinc/49/39/56/377493956.db2.gz HEJDPAZYIKFLFZ-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000093210131 249036639 /nfs/dbraw/zinc/03/66/39/249036639.db2.gz CNEOCOJWHVMMIL-SWHYSGLUSA-N 1 3 252.789 3.261 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166481940 542175725 /nfs/dbraw/zinc/17/57/25/542175725.db2.gz BUBZXCNRURAKLR-DLBZAZTESA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166481940 542175726 /nfs/dbraw/zinc/17/57/26/542175726.db2.gz BUBZXCNRURAKLR-DLBZAZTESA-N 1 3 290.426 3.320 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422905463 249127545 /nfs/dbraw/zinc/12/75/45/249127545.db2.gz ZBVWSIIMOLREDR-STQMWFEESA-N 1 3 284.831 3.133 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000422905463 249127547 /nfs/dbraw/zinc/12/75/47/249127547.db2.gz ZBVWSIIMOLREDR-STQMWFEESA-N 1 3 284.831 3.133 20 0 CGADHO CC(C)CCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000314265244 249095601 /nfs/dbraw/zinc/09/56/01/249095601.db2.gz IRYMAESQRFCQBV-INIZCTEOSA-N 1 3 292.467 3.399 20 0 CGADHO Cc1cc2cc(CN3C[C@H](C[NH3+])C[C@H]3C)oc2cc1C ZINC000469857914 249160540 /nfs/dbraw/zinc/16/05/40/249160540.db2.gz YZXIRJWKOHZNBT-KGLIPLIRSA-N 1 3 272.392 3.219 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000251240755 377578532 /nfs/dbraw/zinc/57/85/32/377578532.db2.gz SDWUTBCSZBTIPL-PVAVHDDUSA-N 1 3 260.425 3.287 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000516123242 249226117 /nfs/dbraw/zinc/22/61/17/249226117.db2.gz PUNPVJYWCNIHDL-GJZGRUSLSA-N 1 3 298.833 3.484 20 0 CGADHO C[NH+](C)[C@H]1CCC[C@H](NCCc2ccc(F)cc2Cl)C1 ZINC000516123242 249226118 /nfs/dbraw/zinc/22/61/18/249226118.db2.gz PUNPVJYWCNIHDL-GJZGRUSLSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000251585647 377588351 /nfs/dbraw/zinc/58/83/51/377588351.db2.gz BEBGFTUHKCLJNX-LPHOPBHVSA-N 1 3 286.463 3.398 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000573981075 377602773 /nfs/dbraw/zinc/60/27/73/377602773.db2.gz IMXLZQMDSCWYAS-XSLAGTTESA-N 1 3 288.435 3.075 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252133521 377614696 /nfs/dbraw/zinc/61/46/96/377614696.db2.gz MHEZRUHVIUQLMS-WCVJEAGWSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252119610 377615214 /nfs/dbraw/zinc/61/52/14/377615214.db2.gz JDBUIVCPKFNFLJ-LEOABGAYSA-N 1 3 250.430 3.028 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000574170338 377630567 /nfs/dbraw/zinc/63/05/67/377630567.db2.gz NDFOIICMQOMILC-LUKYLMHMSA-N 1 3 258.409 3.182 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252713290 377653819 /nfs/dbraw/zinc/65/38/19/377653819.db2.gz OTKYAYZAHSSALJ-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252892889 377669481 /nfs/dbraw/zinc/66/94/81/377669481.db2.gz PAIOEXPHFZXEFU-RHSMWYFYSA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)c1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252892889 377669485 /nfs/dbraw/zinc/66/94/85/377669485.db2.gz PAIOEXPHFZXEFU-RHSMWYFYSA-N 1 3 260.425 3.240 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NC2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530719 377678048 /nfs/dbraw/zinc/67/80/48/377678048.db2.gz DSWDIKQUQFNUEQ-HUUCEWRRSA-N 1 3 278.827 3.275 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C2(Cc3cccc(Cl)c3)CC2)C1 ZINC000574530719 377678056 /nfs/dbraw/zinc/67/80/56/377678056.db2.gz DSWDIKQUQFNUEQ-HUUCEWRRSA-N 1 3 278.827 3.275 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546325 377816829 /nfs/dbraw/zinc/81/68/29/377816829.db2.gz KUNIWWLPRZXIDT-GJZGRUSLSA-N 1 3 284.403 3.091 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000261568998 377819063 /nfs/dbraw/zinc/81/90/63/377819063.db2.gz LMYOCCMCCXFJNI-BFHYXJOUSA-N 1 3 298.883 3.454 20 0 CGADHO C[C@@H](C[N@H+](C)C1CCNCC1)c1cccc(Cl)c1 ZINC000261948551 377871196 /nfs/dbraw/zinc/87/11/96/377871196.db2.gz NOOHXQLLXOJDNI-LBPRGKRZSA-N 1 3 266.816 3.127 20 0 CGADHO C[C@@H](C[N@@H+](C)C1CCNCC1)c1cccc(Cl)c1 ZINC000261948551 377871199 /nfs/dbraw/zinc/87/11/99/377871199.db2.gz NOOHXQLLXOJDNI-LBPRGKRZSA-N 1 3 266.816 3.127 20 0 CGADHO C[C@@H](CN(C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000261948551 377871201 /nfs/dbraw/zinc/87/12/01/377871201.db2.gz NOOHXQLLXOJDNI-LBPRGKRZSA-N 1 3 266.816 3.127 20 0 CGADHO CCCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000261976408 377874312 /nfs/dbraw/zinc/87/43/12/377874312.db2.gz ITDJPHTUPZPCRA-RTBURBONSA-N 1 3 286.463 3.256 20 0 CGADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261817929 377857278 /nfs/dbraw/zinc/85/72/78/377857278.db2.gz AMSRDGYLARYVAL-RCCFBDPRSA-N 1 3 295.430 3.245 20 0 CGADHO C[C@H](O)[C@H](C)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000578232066 378048582 /nfs/dbraw/zinc/04/85/82/378048582.db2.gz GWBWTSPIXNMRTM-JYJNAYRXSA-N 1 3 290.451 3.009 20 0 CGADHO CCN(CCCOc1ccccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345206163 378222744 /nfs/dbraw/zinc/22/27/44/378222744.db2.gz OPQIQXJMAGCJCI-QGZVFWFLSA-N 1 3 290.451 3.228 20 0 CGADHO CC[N@H+](CCCOc1ccccc1C)[C@@H]1CCCNCC1 ZINC000345206163 378222750 /nfs/dbraw/zinc/22/27/50/378222750.db2.gz OPQIQXJMAGCJCI-QGZVFWFLSA-N 1 3 290.451 3.228 20 0 CGADHO CC[N@@H+](CCCOc1ccccc1C)[C@@H]1CCCNCC1 ZINC000345206163 378222752 /nfs/dbraw/zinc/22/27/52/378222752.db2.gz OPQIQXJMAGCJCI-QGZVFWFLSA-N 1 3 290.451 3.228 20 0 CGADHO C[C@@H]([NH2+]CCCCCOC1CCCCC1)[C@H]1CCCNC1 ZINC000579825073 378198541 /nfs/dbraw/zinc/19/85/41/378198541.db2.gz HGPVXTMUFZEXSP-SJORKVTESA-N 1 3 296.499 3.484 20 0 CGADHO CN1CC=C(C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000345143947 378203885 /nfs/dbraw/zinc/20/38/85/378203885.db2.gz QIIXMAWFDOHIJM-UHFFFAOYSA-N 1 3 250.430 3.054 20 0 CGADHO CC[C@@H](NCCCC[NH+](C)C)c1ccc(F)cc1F ZINC000269039810 378178185 /nfs/dbraw/zinc/17/81/85/378178185.db2.gz TUXIKGOHUXGHBR-OAHLLOKOSA-N 1 3 270.367 3.347 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000580768110 378256798 /nfs/dbraw/zinc/25/67/98/378256798.db2.gz QILYIDSQTKJZKK-DLBZAZTESA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000580768110 378256801 /nfs/dbraw/zinc/25/68/01/378256801.db2.gz QILYIDSQTKJZKK-DLBZAZTESA-N 1 3 260.425 3.300 20 0 CGADHO Cc1cc(CN2CCC(C[NH3+])CC2)c(OC(F)F)cc1C ZINC000346660322 378666685 /nfs/dbraw/zinc/66/66/85/378666685.db2.gz MMBWGNOTQGWFMA-UHFFFAOYSA-N 1 3 298.377 3.076 20 0 CGADHO CCc1ccc([C@H](C)NCC2(C)CC[NH+](C)CC2)o1 ZINC000272594192 378673827 /nfs/dbraw/zinc/67/38/27/378673827.db2.gz SLCKPGVWPJTQOQ-ZDUSSCGKSA-N 1 3 264.413 3.225 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000272802380 378706392 /nfs/dbraw/zinc/70/63/92/378706392.db2.gz BPPILFUDIBTFCP-AWEZNQCLSA-N 1 3 290.476 3.191 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158043 378817345 /nfs/dbraw/zinc/81/73/45/378817345.db2.gz HAZIMZBZXKNERC-WMZOPIPTSA-N 1 3 288.435 3.014 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158043 378817348 /nfs/dbraw/zinc/81/73/48/378817348.db2.gz HAZIMZBZXKNERC-WMZOPIPTSA-N 1 3 288.435 3.014 20 0 CGADHO CC1(c2ccccc2)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346825875 218026342 /nfs/dbraw/zinc/02/63/42/218026342.db2.gz GZHWREPCRZIKMJ-INIZCTEOSA-N 1 3 272.436 3.040 20 0 CGADHO CC1(c2ccccc2)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346825875 218026343 /nfs/dbraw/zinc/02/63/43/218026343.db2.gz GZHWREPCRZIKMJ-INIZCTEOSA-N 1 3 272.436 3.040 20 0 CGADHO CCOc1ccc([C@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346834895 218030704 /nfs/dbraw/zinc/03/07/04/218030704.db2.gz NIXIBBVBEVWRIL-MAUKXSAKSA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346834895 218030706 /nfs/dbraw/zinc/03/07/06/218030706.db2.gz NIXIBBVBEVWRIL-MAUKXSAKSA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346834895 218030708 /nfs/dbraw/zinc/03/07/08/218030708.db2.gz NIXIBBVBEVWRIL-MAUKXSAKSA-N 1 3 288.435 3.222 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000348299941 378894690 /nfs/dbraw/zinc/89/46/90/378894690.db2.gz HEBQGBHCWXNVFF-MIGQKNRLSA-N 1 3 294.389 3.283 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000348299941 378894693 /nfs/dbraw/zinc/89/46/93/378894693.db2.gz HEBQGBHCWXNVFF-MIGQKNRLSA-N 1 3 294.389 3.283 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000348306077 378897773 /nfs/dbraw/zinc/89/77/73/378897773.db2.gz XGAXZLWYALRXDQ-QZTJIDSGSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCc1cccnc1 ZINC000348306077 378897777 /nfs/dbraw/zinc/89/77/77/378897777.db2.gz XGAXZLWYALRXDQ-QZTJIDSGSA-N 1 3 289.467 3.114 20 0 CGADHO CC[C@H](C[N@@H+]1CCC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000347004336 218089790 /nfs/dbraw/zinc/08/97/90/218089790.db2.gz AUSLSEYFBCERJB-ZMSDIMECSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CCC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000347004336 218089791 /nfs/dbraw/zinc/08/97/91/218089791.db2.gz AUSLSEYFBCERJB-ZMSDIMECSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@]1(c2ccccc2)CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346993018 218082785 /nfs/dbraw/zinc/08/27/85/218082785.db2.gz UIDXGVJGRUYYLW-WMZOPIPTSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346993018 218082786 /nfs/dbraw/zinc/08/27/86/218082786.db2.gz UIDXGVJGRUYYLW-WMZOPIPTSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346993018 218082787 /nfs/dbraw/zinc/08/27/87/218082787.db2.gz UIDXGVJGRUYYLW-WMZOPIPTSA-N 1 3 272.436 3.040 20 0 CGADHO CC1CCC([N@H+](C[C@@H]2CCCO2)C[C@H]2CCCNC2)CC1 ZINC000347001754 218087761 /nfs/dbraw/zinc/08/77/61/218087761.db2.gz HSNZXVYCSUDGQZ-IKJBURDNSA-N 1 3 294.483 3.046 20 0 CGADHO CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@H]2CCCNC2)CC1 ZINC000347001754 218087764 /nfs/dbraw/zinc/08/77/64/218087764.db2.gz HSNZXVYCSUDGQZ-IKJBURDNSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969461 378961681 /nfs/dbraw/zinc/96/16/81/378961681.db2.gz HFLVKODYCHPHQD-XFMPKHEZSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969461 378961686 /nfs/dbraw/zinc/96/16/86/378961686.db2.gz HFLVKODYCHPHQD-XFMPKHEZSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969461 378961690 /nfs/dbraw/zinc/96/16/90/378961690.db2.gz HFLVKODYCHPHQD-XFMPKHEZSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300141282 296285569 /nfs/dbraw/zinc/28/55/69/296285569.db2.gz RLWCQXKPXVKLEP-QPSCCSFWSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)Oc1ccccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000347168098 218144013 /nfs/dbraw/zinc/14/40/13/218144013.db2.gz LMIPEMAELJHZLN-AWEZNQCLSA-N 1 3 276.424 3.033 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000347216334 218158137 /nfs/dbraw/zinc/15/81/37/218158137.db2.gz RIHGHYYHMSZQQA-GFCCVEGCSA-N 1 3 293.480 3.360 20 0 CGADHO C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003314 379043189 /nfs/dbraw/zinc/04/31/89/379043189.db2.gz ASSAGBNZAPFWEE-IPYPFGDCSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccc(Cl)cc1 ZINC000277003314 379043193 /nfs/dbraw/zinc/04/31/93/379043193.db2.gz ASSAGBNZAPFWEE-IPYPFGDCSA-N 1 3 296.842 3.180 20 0 CGADHO CO[C@@H](C)CN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000348836706 379074814 /nfs/dbraw/zinc/07/48/14/379074814.db2.gz XHEDHQJERVMOOO-INIZCTEOSA-N 1 3 292.467 3.111 20 0 CGADHO CO[C@@H](C)CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000348836706 379074822 /nfs/dbraw/zinc/07/48/22/379074822.db2.gz XHEDHQJERVMOOO-INIZCTEOSA-N 1 3 292.467 3.111 20 0 CGADHO CC[N@H+](CCC[C@@H]1CCO1)Cc1ccc(CN(C)C)cc1 ZINC000639171608 379093337 /nfs/dbraw/zinc/09/33/37/379093337.db2.gz XSKLWXGTCFAUSC-GOSISDBHSA-N 1 3 290.451 3.139 20 0 CGADHO CC[N@@H+](CCC[C@@H]1CCO1)Cc1ccc(CN(C)C)cc1 ZINC000639171608 379093342 /nfs/dbraw/zinc/09/33/42/379093342.db2.gz XSKLWXGTCFAUSC-GOSISDBHSA-N 1 3 290.451 3.139 20 0 CGADHO Cc1scc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000639161343 379079982 /nfs/dbraw/zinc/07/99/82/379079982.db2.gz BNJYPXLLBRHXQS-XYPWUTKMSA-N 1 3 278.465 3.422 20 0 CGADHO Cc1scc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000639161343 379079983 /nfs/dbraw/zinc/07/99/83/379079983.db2.gz BNJYPXLLBRHXQS-XYPWUTKMSA-N 1 3 278.465 3.422 20 0 CGADHO C[C@@H]1C[C@H](NC2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240481 379107917 /nfs/dbraw/zinc/10/79/17/379107917.db2.gz ZSKJMIOXEVZSRN-UKRRQHHQSA-N 1 3 294.389 3.427 20 0 CGADHO C[C@@H]1C[C@H](NC2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240481 379107924 /nfs/dbraw/zinc/10/79/24/379107924.db2.gz ZSKJMIOXEVZSRN-UKRRQHHQSA-N 1 3 294.389 3.427 20 0 CGADHO Cc1ccc(CCC[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277303282 379124842 /nfs/dbraw/zinc/12/48/42/379124842.db2.gz UHFPZDIOCSFESL-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277303282 379124852 /nfs/dbraw/zinc/12/48/52/379124852.db2.gz UHFPZDIOCSFESL-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccc(CCCN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277303282 379124862 /nfs/dbraw/zinc/12/48/62/379124862.db2.gz UHFPZDIOCSFESL-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO CCc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000349127528 379164993 /nfs/dbraw/zinc/16/49/93/379164993.db2.gz ISGSPDDQCAYSGI-HNNXBMFYSA-N 1 3 276.424 3.006 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349387747 379263067 /nfs/dbraw/zinc/26/30/67/379263067.db2.gz WFGXERXKBPXZOT-UHFFFAOYSA-N 1 3 277.387 3.081 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc2ccc(F)cc2[nH]1 ZINC000349387747 379263074 /nfs/dbraw/zinc/26/30/74/379263074.db2.gz WFGXERXKBPXZOT-UHFFFAOYSA-N 1 3 277.387 3.081 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000639360358 379318117 /nfs/dbraw/zinc/31/81/17/379318117.db2.gz WADMSYDJNCGLRD-AHCXZYCDSA-N 1 3 272.436 3.000 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000639375966 379333127 /nfs/dbraw/zinc/33/31/27/379333127.db2.gz MZRGSVFKJXHRIL-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC000639375968 379333419 /nfs/dbraw/zinc/33/34/19/379333419.db2.gz MZRGSVFKJXHRIL-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cccc(Cl)c1 ZINC000349690342 379347332 /nfs/dbraw/zinc/34/73/32/379347332.db2.gz FNOTUQAWSXKNOL-AWEZNQCLSA-N 1 3 298.858 3.349 20 0 CGADHO C[C@@H](CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000352534854 379846140 /nfs/dbraw/zinc/84/61/40/379846140.db2.gz JVSRJYOBCNQWQI-WMLDXEAASA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)C1CCC1 ZINC000379043505 379859285 /nfs/dbraw/zinc/85/92/85/379859285.db2.gz CDLPSWYMTLWPTQ-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO CCc1ccc(CN(C)CCCC[NH+]2CCCCC2)nc1 ZINC000640533042 379819492 /nfs/dbraw/zinc/81/94/92/379819492.db2.gz AMMMTHFKZCXKAQ-UHFFFAOYSA-N 1 3 289.467 3.342 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)CN(C)C ZINC000571115435 322290181 /nfs/dbraw/zinc/29/01/81/322290181.db2.gz BAYHGEGXBFSMPA-IAQYHMDHSA-N 1 3 266.816 3.115 20 0 CGADHO CSc1ccc(C[NH2+]CCCN2CCCCC2)s1 ZINC000352853221 380006429 /nfs/dbraw/zinc/00/64/29/380006429.db2.gz LYIWCZSCVQDAJU-UHFFFAOYSA-N 1 3 284.494 3.436 20 0 CGADHO CC(C)C[C@@H](C)CN1CCC([NH+]2CCCC2)CC1 ZINC000410327450 380087371 /nfs/dbraw/zinc/08/73/71/380087371.db2.gz UXGSZTXDUXXDJN-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@@H](C)C[NH+]1CCC(N2CCCC2)CC1 ZINC000410327450 380087375 /nfs/dbraw/zinc/08/73/75/380087375.db2.gz UXGSZTXDUXXDJN-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO CC(CCN1CC[C@](C)(F)C1)CC[N@@H+]1CC[C@](C)(F)C1 ZINC000411416212 380146640 /nfs/dbraw/zinc/14/66/40/380146640.db2.gz CPBTXRREEDSKQO-HOTGVXAUSA-N 1 3 288.426 3.271 20 0 CGADHO CC(CCN1CC[C@](C)(F)C1)CC[N@H+]1CC[C@](C)(F)C1 ZINC000411416212 380146642 /nfs/dbraw/zinc/14/66/42/380146642.db2.gz CPBTXRREEDSKQO-HOTGVXAUSA-N 1 3 288.426 3.271 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000410396073 380092225 /nfs/dbraw/zinc/09/22/25/380092225.db2.gz TXTMWMCDRDWJSH-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000410396073 380092229 /nfs/dbraw/zinc/09/22/29/380092229.db2.gz TXTMWMCDRDWJSH-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410396073 380092234 /nfs/dbraw/zinc/09/22/34/380092234.db2.gz TXTMWMCDRDWJSH-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000410396073 380092242 /nfs/dbraw/zinc/09/22/42/380092242.db2.gz TXTMWMCDRDWJSH-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC2(C)C)CC1 ZINC000414221589 380202004 /nfs/dbraw/zinc/20/20/04/380202004.db2.gz MHUKIKNJXPWGSZ-BMFZPTHFSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000414221589 380202007 /nfs/dbraw/zinc/20/20/07/380202007.db2.gz MHUKIKNJXPWGSZ-BMFZPTHFSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1nc([C@@H](C)NC2CCC([NH+](C)C)CC2)c(C)s1 ZINC000643296096 380263220 /nfs/dbraw/zinc/26/32/20/380263220.db2.gz WRIMNXKGIQKRBM-GWMXKSKGSA-N 1 3 281.469 3.283 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000414329128 380214632 /nfs/dbraw/zinc/21/46/32/380214632.db2.gz IBIANBUDUSQERA-XUWVNRHRSA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000414329128 380214637 /nfs/dbraw/zinc/21/46/37/380214637.db2.gz IBIANBUDUSQERA-XUWVNRHRSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cc2c(s1)CCC2 ZINC000643502138 380324746 /nfs/dbraw/zinc/32/47/46/380324746.db2.gz YBFRGYXECZHFDA-YPMHNXCESA-N 1 3 264.438 3.030 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354106979 380326324 /nfs/dbraw/zinc/32/63/24/380326324.db2.gz NJTSQWWLXUBKDF-SZMVWBNQSA-N 1 3 272.436 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354106979 380326330 /nfs/dbraw/zinc/32/63/30/380326330.db2.gz NJTSQWWLXUBKDF-SZMVWBNQSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354106979 380326332 /nfs/dbraw/zinc/32/63/32/380326332.db2.gz NJTSQWWLXUBKDF-SZMVWBNQSA-N 1 3 272.436 3.064 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000354106979 380326337 /nfs/dbraw/zinc/32/63/37/380326337.db2.gz NJTSQWWLXUBKDF-SZMVWBNQSA-N 1 3 272.436 3.064 20 0 CGADHO Cc1cc(C)c([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C ZINC000643521468 380335635 /nfs/dbraw/zinc/33/56/35/380335635.db2.gz JGEDTLSFJBPUAM-HZPDHXFCSA-N 1 3 260.425 3.405 20 0 CGADHO Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2CN)c(C)c1 ZINC000643457024 380307987 /nfs/dbraw/zinc/30/79/87/380307987.db2.gz CYCXBSXRODNNRP-QZTJIDSGSA-N 1 3 274.452 3.343 20 0 CGADHO CO[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000643467460 380312976 /nfs/dbraw/zinc/31/29/76/380312976.db2.gz IWEPIUFKULFLKR-APHBMKBZSA-N 1 3 296.842 3.135 20 0 CGADHO c1ccc(-c2ccc(CC[NH2+]C3CCNCC3)cc2)cc1 ZINC000643467703 380315458 /nfs/dbraw/zinc/31/54/58/380315458.db2.gz WFRGBZJUWRTPLK-UHFFFAOYSA-N 1 3 280.415 3.238 20 0 CGADHO c1ccc(-c2ccc(CCNC3CC[NH2+]CC3)cc2)cc1 ZINC000643467703 380315466 /nfs/dbraw/zinc/31/54/66/380315466.db2.gz WFRGBZJUWRTPLK-UHFFFAOYSA-N 1 3 280.415 3.238 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643522308 380339149 /nfs/dbraw/zinc/33/91/49/380339149.db2.gz LHIMNKRTXPBNHO-XHSDSOJGSA-N 1 3 252.446 3.323 20 0 CGADHO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523615 380339871 /nfs/dbraw/zinc/33/98/71/380339871.db2.gz AQRZBBBEJWZARD-MRXNPFEDSA-N 1 3 258.409 3.348 20 0 CGADHO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643528691 380345001 /nfs/dbraw/zinc/34/50/01/380345001.db2.gz NCBKSPUCRLIJCV-RYUDHWBXSA-N 1 3 252.427 3.185 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000643529112 380346405 /nfs/dbraw/zinc/34/64/05/380346405.db2.gz VIFBWBINBCOMBO-YJBOKZPZSA-N 1 3 268.404 3.297 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000643533867 380348344 /nfs/dbraw/zinc/34/83/44/380348344.db2.gz GPOGEHDLYDTDID-IINYFYTJSA-N 1 3 282.790 3.272 20 0 CGADHO CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000643534956 380350913 /nfs/dbraw/zinc/35/09/13/380350913.db2.gz GIDRXRAZDXGSAV-NVXWUHKLSA-N 1 3 288.435 3.186 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1csc(Cl)c1 ZINC000643534903 380351009 /nfs/dbraw/zinc/35/10/09/380351009.db2.gz FMVRMUNECBQNIN-GXSJLCMTSA-N 1 3 270.829 3.194 20 0 CGADHO Cc1ccc(CCC[NH2+]Cc2ccc(CN(C)C)cc2)cn1 ZINC000354166138 380351129 /nfs/dbraw/zinc/35/11/29/380351129.db2.gz TTWNPJSFJJCLCV-UHFFFAOYSA-N 1 3 297.446 3.174 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546572 380359314 /nfs/dbraw/zinc/35/93/14/380359314.db2.gz RGNWXJACWWQDTA-WBVHZDCISA-N 1 3 270.420 3.328 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000414668182 380360168 /nfs/dbraw/zinc/36/01/68/380360168.db2.gz ZNVCOKZBMLPIHD-ULQDDVLXSA-N 1 3 260.425 3.095 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546882 380361715 /nfs/dbraw/zinc/36/17/15/380361715.db2.gz WELVKTJAEUZICO-KGLIPLIRSA-N 1 3 278.465 3.334 20 0 CGADHO CC(C)Oc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414813447 380423503 /nfs/dbraw/zinc/42/35/03/380423503.db2.gz YJDCFXBITAJPCA-WBVHZDCISA-N 1 3 276.424 3.081 20 0 CGADHO CCCC[C@H](CN)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414817765 380428324 /nfs/dbraw/zinc/42/83/24/380428324.db2.gz SZUNHVIUCAXZAM-GFCCVEGCSA-N 1 3 292.320 3.452 20 0 CGADHO COc1ccc(C2CCC([NH2+]C[C@H]3CCCN3)CC2)cc1 ZINC000414822625 380432425 /nfs/dbraw/zinc/43/24/25/380432425.db2.gz DZTVDEOOUZLDNJ-BDVYOWHSSA-N 1 3 288.435 3.063 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414825593 380434285 /nfs/dbraw/zinc/43/42/85/380434285.db2.gz TXALMTWGVCWWCR-GRYCIOLGSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCCNC1 ZINC000414827705 380437724 /nfs/dbraw/zinc/43/77/24/380437724.db2.gz YGIJXVUXIHOGOG-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H](CNCC1([NH3+])CCCCC1)c1ccc(F)cc1 ZINC000414836075 380444200 /nfs/dbraw/zinc/44/42/00/380444200.db2.gz FFKXKPFXRMWJNE-ZDUSSCGKSA-N 1 3 264.388 3.180 20 0 CGADHO Fc1cc(Cl)ccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780854 380400556 /nfs/dbraw/zinc/40/05/56/380400556.db2.gz MBGKBPKTWJNYAF-QWHCGFSZSA-N 1 3 296.817 3.301 20 0 CGADHO Fc1c(Cl)cccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777892 380400691 /nfs/dbraw/zinc/40/06/91/380400691.db2.gz IOJWFNXUNARZTR-CHWSQXEVSA-N 1 3 296.817 3.301 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000414787231 380404603 /nfs/dbraw/zinc/40/46/03/380404603.db2.gz BZWNIEJJXGEPJH-GOSISDBHSA-N 1 3 298.430 3.435 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000414790557 380406680 /nfs/dbraw/zinc/40/66/80/380406680.db2.gz AHTHUTYSNGFICQ-SMDDNHRTSA-N 1 3 286.341 3.231 20 0 CGADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000414794873 380408512 /nfs/dbraw/zinc/40/85/12/380408512.db2.gz GAHAASSFINDYGA-ZVZYQTTQSA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414793044 380409369 /nfs/dbraw/zinc/40/93/69/380409369.db2.gz JQVZOGNMZASQRJ-BXUZGUMPSA-N 1 3 288.357 3.209 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414800555 380412550 /nfs/dbraw/zinc/41/25/50/380412550.db2.gz LBZJTDMMDFGFSZ-VHDGCEQUSA-N 1 3 266.454 3.176 20 0 CGADHO CC(C)C[C@@H](CNC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000414801146 380414359 /nfs/dbraw/zinc/41/43/59/380414359.db2.gz TWVVMBSNVOUUDK-DLBZAZTESA-N 1 3 262.441 3.389 20 0 CGADHO CC(C)C[C@@H](CNC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000414801150 380414561 /nfs/dbraw/zinc/41/45/61/380414561.db2.gz TWVVMBSNVOUUDK-IRXDYDNUSA-N 1 3 262.441 3.389 20 0 CGADHO C[C@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CCCNC1 ZINC000414854474 380456399 /nfs/dbraw/zinc/45/63/99/380456399.db2.gz LYAFWLLIAPATFG-DZGCQCFKSA-N 1 3 252.446 3.181 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccc(C)cc1 ZINC000414804420 380416240 /nfs/dbraw/zinc/41/62/40/380416240.db2.gz DVWBJAMFEDJJTM-HNNXBMFYSA-N 1 3 262.441 3.423 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414809864 380422492 /nfs/dbraw/zinc/42/24/92/380422492.db2.gz USRGBZVISBCPHJ-RCCFBDPRSA-N 1 3 274.452 3.423 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000414916530 380487387 /nfs/dbraw/zinc/48/73/87/380487387.db2.gz PWHIYRHUFPHOLS-OAGGEKHMSA-N 1 3 252.446 3.182 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414926851 380492342 /nfs/dbraw/zinc/49/23/42/380492342.db2.gz NTETZJUACLFZHP-STQMWFEESA-N 1 3 258.365 3.101 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2csc3ccccc23)C1 ZINC000414930092 380493429 /nfs/dbraw/zinc/49/34/29/380493429.db2.gz SLQCHFGCAQBYQM-OLZOCXBDSA-N 1 3 260.406 3.261 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CNCC[C@H]1C ZINC000414930627 380493469 /nfs/dbraw/zinc/49/34/69/380493469.db2.gz PAXJRPHQUSTKPT-YGRLFVJLSA-N 1 3 286.341 3.101 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000414898258 380479499 /nfs/dbraw/zinc/47/94/99/380479499.db2.gz BAFZMEKXOCMNBZ-WMZOPIPTSA-N 1 3 274.452 3.295 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414900570 380479759 /nfs/dbraw/zinc/47/97/59/380479759.db2.gz DXJGSDDEKJELPF-WMLDXEAASA-N 1 3 278.415 3.126 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@@H](CO)CC2CCCCC2)CC1 ZINC000417359043 380608066 /nfs/dbraw/zinc/60/80/66/380608066.db2.gz GDMQDIQCWUHGQS-QGZVFWFLSA-N 1 3 296.499 3.170 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417886868 380687600 /nfs/dbraw/zinc/68/76/00/380687600.db2.gz ZKSWDBKWSGDRRM-SZMVWBNQSA-N 1 3 272.436 3.112 20 0 CGADHO CCSCCNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000355770942 380772199 /nfs/dbraw/zinc/77/21/99/380772199.db2.gz DPRPVBHKLXAPIY-UHFFFAOYSA-N 1 3 280.481 3.370 20 0 CGADHO CCSCCNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000355770942 380772204 /nfs/dbraw/zinc/77/22/04/380772204.db2.gz DPRPVBHKLXAPIY-UHFFFAOYSA-N 1 3 280.481 3.370 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000359994331 381402354 /nfs/dbraw/zinc/40/23/54/381402354.db2.gz MOYDCVGNYKLMSH-LTIDMASMSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CCN1 ZINC000334861344 207203808 /nfs/dbraw/zinc/20/38/08/207203808.db2.gz BBTGDFANZNLWQO-CJNGLKHVSA-N 1 3 254.377 3.070 20 0 CGADHO CN1CCCC12CC[NH+](C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000361349161 381711243 /nfs/dbraw/zinc/71/12/43/381711243.db2.gz RYXBUDVKWIRZCV-ROUUACIJSA-N 1 3 284.447 3.350 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2ncsc2c1 ZINC000362572328 382063064 /nfs/dbraw/zinc/06/30/64/382063064.db2.gz GZXPAKOCDSVBTM-TZMCWYRMSA-N 1 3 289.448 3.431 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000364669220 382275179 /nfs/dbraw/zinc/27/51/79/382275179.db2.gz DSSWSKLTZZXSKM-WWDZGPRUSA-N 1 3 294.483 3.332 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251090136 542345184 /nfs/dbraw/zinc/34/51/84/542345184.db2.gz IEZMBBYJSLXUJN-RQJABVFESA-N 1 3 290.373 3.324 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251090136 542345186 /nfs/dbraw/zinc/34/51/86/542345186.db2.gz IEZMBBYJSLXUJN-RQJABVFESA-N 1 3 290.373 3.324 20 0 CGADHO c1ccc(CCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252703240 542350975 /nfs/dbraw/zinc/35/09/75/542350975.db2.gz MBDZQJDRLZVXAV-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO c1ccc(CCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252703240 542350978 /nfs/dbraw/zinc/35/09/78/542350978.db2.gz MBDZQJDRLZVXAV-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO c1ccc(CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)cc1 ZINC000252703240 542350982 /nfs/dbraw/zinc/35/09/82/542350982.db2.gz MBDZQJDRLZVXAV-ROUUACIJSA-N 1 3 272.436 3.226 20 0 CGADHO CSc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000280928408 195033475 /nfs/dbraw/zinc/03/34/75/195033475.db2.gz UVLAVEOWJFNCEV-JKSUJKDBSA-N 1 3 290.476 3.167 20 0 CGADHO CSc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000280928408 195033477 /nfs/dbraw/zinc/03/34/77/195033477.db2.gz UVLAVEOWJFNCEV-JKSUJKDBSA-N 1 3 290.476 3.167 20 0 CGADHO Cc1ccncc1CCC[NH2+]CCCN1CCCC[C@H]1C ZINC000289341336 197303565 /nfs/dbraw/zinc/30/35/65/197303565.db2.gz WDOBTNKVGCSGIV-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccncc1CCCNCCC[N@H+]1CCCC[C@H]1C ZINC000289341336 197303567 /nfs/dbraw/zinc/30/35/67/197303567.db2.gz WDOBTNKVGCSGIV-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccncc1CCCNCCC[N@@H+]1CCCC[C@H]1C ZINC000289341336 197303568 /nfs/dbraw/zinc/30/35/68/197303568.db2.gz WDOBTNKVGCSGIV-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO COC[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423275203 533087447 /nfs/dbraw/zinc/08/74/47/533087447.db2.gz MWFFMNQPSYUXHW-BBRMVZONSA-N 1 3 296.842 3.007 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000414210269 285157253 /nfs/dbraw/zinc/15/72/53/285157253.db2.gz UGRPFYQKYMPPHD-BQFCYCMXSA-N 1 3 296.499 3.292 20 0 CGADHO Fc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067426 542486177 /nfs/dbraw/zinc/48/61/77/542486177.db2.gz HRJPMFOVOPRUHX-SJORKVTESA-N 1 3 288.410 3.074 20 0 CGADHO Fc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067426 542486178 /nfs/dbraw/zinc/48/61/78/542486178.db2.gz HRJPMFOVOPRUHX-SJORKVTESA-N 1 3 288.410 3.074 20 0 CGADHO CCOCCC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCC1 ZINC000339069852 542486328 /nfs/dbraw/zinc/48/63/28/542486328.db2.gz XWNTXYBIFSTMOD-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@H]1C1CC1)N1CCCCC1 ZINC000348378480 542519342 /nfs/dbraw/zinc/51/93/42/542519342.db2.gz HGOTXVKBKGUTCJ-KBMXLJTQSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423490998 533389125 /nfs/dbraw/zinc/38/91/25/533389125.db2.gz YIOPIFSHPCQHFV-YPMHNXCESA-N 1 3 268.351 3.148 20 0 CGADHO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286111 533510190 /nfs/dbraw/zinc/51/01/90/533510190.db2.gz ZQAXYNWYYLMNBB-RNCFNFMXSA-N 1 3 278.783 3.474 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OC(F)F)cc1 ZINC000424338209 533519592 /nfs/dbraw/zinc/51/95/92/533519592.db2.gz UEVCKQAJCNMFKH-LERXQTSPSA-N 1 3 284.350 3.209 20 0 CGADHO CSCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915787 533580451 /nfs/dbraw/zinc/58/04/51/533580451.db2.gz RKPIMAVXRQFABG-DOTOQJQBSA-N 1 3 292.492 3.334 20 0 CGADHO CSCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915787 533580453 /nfs/dbraw/zinc/58/04/53/533580453.db2.gz RKPIMAVXRQFABG-DOTOQJQBSA-N 1 3 292.492 3.334 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1ncc(-c2ccccc2)s1 ZINC000415009207 533539770 /nfs/dbraw/zinc/53/97/70/533539770.db2.gz FAXSBTZUIATUMM-ZDUSSCGKSA-N 1 3 289.448 3.417 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423377898 533652876 /nfs/dbraw/zinc/65/28/76/533652876.db2.gz KQMSRLXYFHSWCF-XQQFMLRXSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423377898 533652882 /nfs/dbraw/zinc/65/28/82/533652882.db2.gz KQMSRLXYFHSWCF-XQQFMLRXSA-N 1 3 282.378 3.016 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000089149463 291988966 /nfs/dbraw/zinc/98/89/66/291988966.db2.gz YYYKMVUIORPXKE-SUHUHFCYSA-N 1 3 252.427 3.143 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000089428383 392227577 /nfs/dbraw/zinc/22/75/77/392227577.db2.gz NDJOTPNDDJRAAC-KYJSFNMBSA-N 1 3 290.426 3.488 20 0 CGADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000089428383 392227579 /nfs/dbraw/zinc/22/75/79/392227579.db2.gz NDJOTPNDDJRAAC-KYJSFNMBSA-N 1 3 290.426 3.488 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000106868328 392311776 /nfs/dbraw/zinc/31/17/76/392311776.db2.gz VLBJEEBTNZNTEA-DJIMGWMZSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000106868328 392311785 /nfs/dbraw/zinc/31/17/85/392311785.db2.gz VLBJEEBTNZNTEA-DJIMGWMZSA-N 1 3 258.409 3.007 20 0 CGADHO CCS[C@@H]1CC[C@H](N(C)CCC[NH+]2CCCCC2)C1 ZINC000361260449 392269724 /nfs/dbraw/zinc/26/97/24/392269724.db2.gz BXWZYTWOTHKUHJ-JKSUJKDBSA-N 1 3 284.513 3.468 20 0 CGADHO Cc1cc(NC2CC[NH+](C)CC2)c2ccccc2n1 ZINC000106066203 392298224 /nfs/dbraw/zinc/29/82/24/392298224.db2.gz BYVYBAQHJGGKPH-UHFFFAOYSA-N 1 3 255.365 3.049 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877620 392350103 /nfs/dbraw/zinc/35/01/03/392350103.db2.gz QKLFMIAALWHUAX-HNAYVOBHSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877620 392350108 /nfs/dbraw/zinc/35/01/08/392350108.db2.gz QKLFMIAALWHUAX-HNAYVOBHSA-N 1 3 295.430 3.178 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376810 131121699 /nfs/dbraw/zinc/12/16/99/131121699.db2.gz LKYWXHUFCHKFAR-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376810 131121701 /nfs/dbraw/zinc/12/17/01/131121701.db2.gz LKYWXHUFCHKFAR-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249376810 131121702 /nfs/dbraw/zinc/12/17/02/131121702.db2.gz LKYWXHUFCHKFAR-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)CCC2 ZINC000163265159 392604510 /nfs/dbraw/zinc/60/45/10/392604510.db2.gz WBWHLHBOHQYVNR-STQMWFEESA-N 1 3 293.480 3.014 20 0 CGADHO CCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506477745 392727044 /nfs/dbraw/zinc/72/70/44/392727044.db2.gz CCMOBYMIRSNQJC-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO CCCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506477745 392727048 /nfs/dbraw/zinc/72/70/48/392727048.db2.gz CCMOBYMIRSNQJC-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647479319 392734988 /nfs/dbraw/zinc/73/49/88/392734988.db2.gz CBWJVBURKATOEM-CADBVGFASA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc2c(c1)ccnc2CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647542182 392761048 /nfs/dbraw/zinc/76/10/48/392761048.db2.gz NHSRBQJQGHSSOJ-QGZVFWFLSA-N 1 3 295.430 3.056 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000181149908 392721241 /nfs/dbraw/zinc/72/12/41/392721241.db2.gz UEMUIDJGZGYYAS-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1cccc(CCC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000181149908 392721245 /nfs/dbraw/zinc/72/12/45/392721245.db2.gz UEMUIDJGZGYYAS-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCN1CCCC1 ZINC000187102973 392787809 /nfs/dbraw/zinc/78/78/09/392787809.db2.gz DJZIKYNPRLWNNE-HOTGVXAUSA-N 1 3 250.430 3.054 20 0 CGADHO C[C@@H]1C[N@@H+](C2CCC(C(F)(F)F)CC2)C[C@@]1(C)CN ZINC000335349635 392789463 /nfs/dbraw/zinc/78/94/63/392789463.db2.gz SUJCTEPVIWNQBJ-IKWCTNDRSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@@H]1C[N@H+](C2CCC(C(F)(F)F)CC2)C[C@@]1(C)CN ZINC000335349635 392789468 /nfs/dbraw/zinc/78/94/68/392789468.db2.gz SUJCTEPVIWNQBJ-IKWCTNDRSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@@H]1CN(C2CCC(C(F)(F)F)CC2)C[C@@]1(C)C[NH3+] ZINC000335349635 392789475 /nfs/dbraw/zinc/78/94/75/392789475.db2.gz SUJCTEPVIWNQBJ-IKWCTNDRSA-N 1 3 278.362 3.024 20 0 CGADHO CCC(CC)c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000647786798 392796030 /nfs/dbraw/zinc/79/60/30/392796030.db2.gz YXTYNSYWQZFWIY-QLFBSQMISA-N 1 3 291.439 3.056 20 0 CGADHO C[C@@H](NCCCC1CC[NH2+]CC1)c1cccc(F)c1F ZINC000647802444 392802832 /nfs/dbraw/zinc/80/28/32/392802832.db2.gz LYRSWQUPQZSOLE-GFCCVEGCSA-N 1 3 282.378 3.395 20 0 CGADHO Cc1ccccc1C1(N[C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000647801248 392803417 /nfs/dbraw/zinc/80/34/17/392803417.db2.gz SNEDYANQDMKACX-HNNXBMFYSA-N 1 3 295.430 3.497 20 0 CGADHO FC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000647803780 392804559 /nfs/dbraw/zinc/80/45/59/392804559.db2.gz BQCVVKKFYHVPTB-LMNGEROHSA-N 1 3 282.447 3.415 20 0 CGADHO CC(C)(C)CN(Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647884488 392824654 /nfs/dbraw/zinc/82/46/54/392824654.db2.gz VVMXNTSTQGNCKN-INIZCTEOSA-N 1 3 260.425 3.144 20 0 CGADHO Fc1cccc(CCCN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902928 392829095 /nfs/dbraw/zinc/82/90/95/392829095.db2.gz DPQCAEZVTDWYJT-AEFFLSMTSA-N 1 3 290.426 3.222 20 0 CGADHO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@H]1CC[NH2+]C1 ZINC000647990198 392859158 /nfs/dbraw/zinc/85/91/58/392859158.db2.gz FAFROCONCXZGIY-VYDXJSESSA-N 1 3 288.435 3.078 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337379236 392882351 /nfs/dbraw/zinc/88/23/51/392882351.db2.gz CLQLXBFYZZNTLD-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000338785004 392929161 /nfs/dbraw/zinc/92/91/61/392929161.db2.gz BDWJSPOCFRSDRT-OKILXGFUSA-N 1 3 269.392 3.072 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000514090888 542733932 /nfs/dbraw/zinc/73/39/32/542733932.db2.gz WYRTVDWODKGWSJ-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000459749293 392953299 /nfs/dbraw/zinc/95/32/99/392953299.db2.gz YKMGVIFIBALCEI-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000459749293 392953302 /nfs/dbraw/zinc/95/33/02/392953302.db2.gz YKMGVIFIBALCEI-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)C[C@@H](C[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000339413425 392954924 /nfs/dbraw/zinc/95/49/24/392954924.db2.gz NBGFLQLPWQPQKN-WBVHZDCISA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)C[C@@H](C[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000339413425 392954930 /nfs/dbraw/zinc/95/49/30/392954930.db2.gz NBGFLQLPWQPQKN-WBVHZDCISA-N 1 3 260.425 3.097 20 0 CGADHO Cc1ccccc1-c1ccccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648385221 392993746 /nfs/dbraw/zinc/99/37/46/392993746.db2.gz NKPHYMWECJPRLV-ROUUACIJSA-N 1 3 292.426 3.313 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCO[C@@H](CC)C1 ZINC000648400420 392997794 /nfs/dbraw/zinc/99/77/94/392997794.db2.gz BOXYXCJYVPAMKR-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648400420 392997802 /nfs/dbraw/zinc/99/78/02/392997802.db2.gz BOXYXCJYVPAMKR-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000545949846 393019379 /nfs/dbraw/zinc/01/93/79/393019379.db2.gz WVSCQRZMXKLXDG-HOTGVXAUSA-N 1 3 250.430 3.197 20 0 CGADHO CC[C@@H]([NH3+])CNCCCc1c(Cl)cccc1Cl ZINC000414996467 393084653 /nfs/dbraw/zinc/08/46/53/393084653.db2.gz XWQZERPQIBDCFX-SNVBAGLBSA-N 1 3 275.223 3.253 20 0 CGADHO Cc1ccc(-c2cccc(C[NH2+][C@@H](C)[C@@H](C)N)c2)cc1 ZINC000415007042 393091863 /nfs/dbraw/zinc/09/18/63/393091863.db2.gz LBJRCGQZDZBXAT-CABCVRRESA-N 1 3 268.404 3.487 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000414952074 393060547 /nfs/dbraw/zinc/06/05/47/393060547.db2.gz QLSZZOCPWKQYBL-DKIMLUQUSA-N 1 3 272.436 3.361 20 0 CGADHO C[C@@H]1NCCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952598 393061308 /nfs/dbraw/zinc/06/13/08/393061308.db2.gz KQQDFNCIXHFCTF-SMDDNHRTSA-N 1 3 260.406 3.131 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000414974475 393075581 /nfs/dbraw/zinc/07/55/81/393075581.db2.gz NNELHJLLQVPONO-OAHLLOKOSA-N 1 3 274.433 3.379 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1cccc(-c2ccccc2C)c1 ZINC000414986141 393080768 /nfs/dbraw/zinc/08/07/68/393080768.db2.gz XJGXVPNOWUGRJD-KRWDZBQOSA-N 1 3 268.404 3.489 20 0 CGADHO Cc1ccc(C)c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052296 393114748 /nfs/dbraw/zinc/11/47/48/393114748.db2.gz NCSSDVKRKNKJAY-WMZOPIPTSA-N 1 3 272.436 3.267 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415056527 393116785 /nfs/dbraw/zinc/11/67/85/393116785.db2.gz SDNIAGLZFUDXHM-HYVNUMGLSA-N 1 3 260.425 3.014 20 0 CGADHO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCCN1CCCCC1 ZINC000348249336 393118699 /nfs/dbraw/zinc/11/86/99/393118699.db2.gz WPPKFIHLIQUWHF-QWHCGFSZSA-N 1 3 278.362 3.135 20 0 CGADHO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCN1CCCCC1 ZINC000348249336 393118701 /nfs/dbraw/zinc/11/87/01/393118701.db2.gz WPPKFIHLIQUWHF-QWHCGFSZSA-N 1 3 278.362 3.135 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415059725 393122014 /nfs/dbraw/zinc/12/20/14/393122014.db2.gz YQRXQBOUMQUEDR-CRAIPNDOSA-N 1 3 290.451 3.282 20 0 CGADHO CCCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415059725 393122018 /nfs/dbraw/zinc/12/20/18/393122018.db2.gz YQRXQBOUMQUEDR-CRAIPNDOSA-N 1 3 290.451 3.282 20 0 CGADHO CCCCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000415059725 393122024 /nfs/dbraw/zinc/12/20/24/393122024.db2.gz YQRXQBOUMQUEDR-CRAIPNDOSA-N 1 3 290.451 3.282 20 0 CGADHO CC(C)(C)c1ncc(C[NH2+][C@@H](CN)C2CCCC2)s1 ZINC000415068855 393126137 /nfs/dbraw/zinc/12/61/37/393126137.db2.gz ROIXPIZVJPNZOF-ZDUSSCGKSA-N 1 3 281.469 3.048 20 0 CGADHO CCCCC1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000415083621 393136154 /nfs/dbraw/zinc/13/61/54/393136154.db2.gz NXFMFZRNTCXUHC-HWOWSKLDSA-N 1 3 252.446 3.467 20 0 CGADHO c1sc2ccccc2c1CCN[C@@H]1CCC[NH2+]CC1 ZINC000415081912 393136581 /nfs/dbraw/zinc/13/65/81/393136581.db2.gz LEVTVXKAMFMCCP-CQSZACIVSA-N 1 3 274.433 3.176 20 0 CGADHO c1sc2ccccc2c1CC[NH2+][C@@H]1CCCNCC1 ZINC000415081912 393136588 /nfs/dbraw/zinc/13/65/88/393136588.db2.gz LEVTVXKAMFMCCP-CQSZACIVSA-N 1 3 274.433 3.176 20 0 CGADHO C[C@@]1(CNCC(c2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC000415086078 393138326 /nfs/dbraw/zinc/13/83/26/393138326.db2.gz RPSXOUDGXNOGRY-HXUWFJFHSA-N 1 3 294.442 3.408 20 0 CGADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415086492 393138380 /nfs/dbraw/zinc/13/83/80/393138380.db2.gz JSDJRMUKZJLICZ-KURKYZTESA-N 1 3 298.430 3.486 20 0 CGADHO c1ccc(-c2cccc(CC[NH2+]C3CCNCC3)c2)cc1 ZINC000415089927 393140196 /nfs/dbraw/zinc/14/01/96/393140196.db2.gz OCXDQQDTBYTGEQ-UHFFFAOYSA-N 1 3 280.415 3.238 20 0 CGADHO c1ccc(-c2cccc(CCNC3CC[NH2+]CC3)c2)cc1 ZINC000415089927 393140199 /nfs/dbraw/zinc/14/01/99/393140199.db2.gz OCXDQQDTBYTGEQ-UHFFFAOYSA-N 1 3 280.415 3.238 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417880166 393356001 /nfs/dbraw/zinc/35/60/01/393356001.db2.gz QFEMSHKDIASHJQ-SZMVWBNQSA-N 1 3 272.436 3.112 20 0 CGADHO CCc1ccc(CCN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429534051 393475605 /nfs/dbraw/zinc/47/56/05/393475605.db2.gz YJTIPTSIJSYHBH-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccc(CC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000429534051 393475612 /nfs/dbraw/zinc/47/56/12/393475612.db2.gz YJTIPTSIJSYHBH-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccc(CC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000429534051 393475616 /nfs/dbraw/zinc/47/56/16/393475616.db2.gz YJTIPTSIJSYHBH-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)CS1 ZINC000488412631 393503366 /nfs/dbraw/zinc/50/33/66/393503366.db2.gz XTEYQOPQGFUTNM-BZUAXINKSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@H]1C[C@@H](NC[C@@H](C)C[NH+]2CCCCC2)CS1 ZINC000488412631 393503371 /nfs/dbraw/zinc/50/33/71/393503371.db2.gz XTEYQOPQGFUTNM-BZUAXINKSA-N 1 3 284.513 3.228 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000358336039 393524072 /nfs/dbraw/zinc/52/40/72/393524072.db2.gz BLENGVRJKKHEMO-ZACQAIPSSA-N 1 3 282.472 3.044 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000358336039 393524074 /nfs/dbraw/zinc/52/40/74/393524074.db2.gz BLENGVRJKKHEMO-ZACQAIPSSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000488472696 393526369 /nfs/dbraw/zinc/52/63/69/393526369.db2.gz XMPUMQDEVQSHAD-GJZGRUSLSA-N 1 3 284.513 3.369 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2NC[C@H]2CCCC[NH2+]2)cc1 ZINC000666770346 542814220 /nfs/dbraw/zinc/81/42/20/542814220.db2.gz VVORZKNXOQXMQC-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000430753991 393593090 /nfs/dbraw/zinc/59/30/90/393593090.db2.gz KQUXALAEQXMVKO-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO CC[N@@H+]1CCC[C@H](CNCCSCc2ccccc2)C1 ZINC000430753991 393593094 /nfs/dbraw/zinc/59/30/94/393593094.db2.gz KQUXALAEQXMVKO-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO CC[N@H+]1CCC[C@H](CNCCSCc2ccccc2)C1 ZINC000430753991 393593098 /nfs/dbraw/zinc/59/30/98/393593098.db2.gz KQUXALAEQXMVKO-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNCC2)C[C@H]1C ZINC000666857885 542821507 /nfs/dbraw/zinc/82/15/07/542821507.db2.gz OBAKPGUXKOSVOG-WCVJEAGWSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H](CNCCSCc1ccccc1)C[NH+]1CCCC1 ZINC000430724020 393591001 /nfs/dbraw/zinc/59/10/01/393591001.db2.gz LMUBOOAOYSUIFR-INIZCTEOSA-N 1 3 292.492 3.241 20 0 CGADHO C[C@@H](C[NH2+]CCSCc1ccccc1)CN1CCCC1 ZINC000430724020 393591005 /nfs/dbraw/zinc/59/10/05/393591005.db2.gz LMUBOOAOYSUIFR-INIZCTEOSA-N 1 3 292.492 3.241 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422799405 393642207 /nfs/dbraw/zinc/64/22/07/393642207.db2.gz WPGQOHSOLXXULD-GCSSGZNBSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CCCN1 ZINC000422799405 393642210 /nfs/dbraw/zinc/64/22/10/393642210.db2.gz WPGQOHSOLXXULD-GCSSGZNBSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[NH2+]CC1)CCC2 ZINC000423133980 393652053 /nfs/dbraw/zinc/65/20/53/393652053.db2.gz RAMRWQVTZYOEAF-DOTOQJQBSA-N 1 3 258.409 3.104 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423224751 393655110 /nfs/dbraw/zinc/65/51/10/393655110.db2.gz KDNOCZXRUYEOKX-LNSITVRQSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423224751 393655112 /nfs/dbraw/zinc/65/51/12/393655112.db2.gz KDNOCZXRUYEOKX-LNSITVRQSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)[C@H](C)N)CCS2 ZINC000423442910 393667782 /nfs/dbraw/zinc/66/77/82/393667782.db2.gz KHACRVGBSANTRB-OUCADQQQSA-N 1 3 264.438 3.166 20 0 CGADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc2cccnc12 ZINC000449561466 393903994 /nfs/dbraw/zinc/90/39/94/393903994.db2.gz VJAKAPZZMMMTEY-AYHJJNSGSA-N 1 3 295.430 3.258 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000666995017 542832692 /nfs/dbraw/zinc/83/26/92/542832692.db2.gz AHNRCPFEHABQTJ-DZJNRPSUSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@@H]1[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000666995017 542832695 /nfs/dbraw/zinc/83/26/95/542832695.db2.gz AHNRCPFEHABQTJ-DZJNRPSUSA-N 1 3 284.447 3.443 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995569 542833473 /nfs/dbraw/zinc/83/34/73/542833473.db2.gz SDSOPCWTISMKGS-GPANFISMSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@H]1C ZINC000666995464 542833874 /nfs/dbraw/zinc/83/38/74/542833874.db2.gz OOEAGLRETGYLPI-BARDWOONSA-N 1 3 250.430 3.075 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC000450473448 393997797 /nfs/dbraw/zinc/99/77/97/393997797.db2.gz NOWYAHBNVGCPMV-MRXNPFEDSA-N 1 3 250.430 3.151 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450473448 393997801 /nfs/dbraw/zinc/99/78/01/393997801.db2.gz NOWYAHBNVGCPMV-MRXNPFEDSA-N 1 3 250.430 3.151 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCC2=CCCCC2)C1 ZINC000450473448 393997806 /nfs/dbraw/zinc/99/78/06/393997806.db2.gz NOWYAHBNVGCPMV-MRXNPFEDSA-N 1 3 250.430 3.151 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCC2=CCCCC2)C1 ZINC000450473448 393997809 /nfs/dbraw/zinc/99/78/09/393997809.db2.gz NOWYAHBNVGCPMV-MRXNPFEDSA-N 1 3 250.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497096 394006005 /nfs/dbraw/zinc/00/60/05/394006005.db2.gz CBRRCXODUBGSIM-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497096 394006006 /nfs/dbraw/zinc/00/60/06/394006006.db2.gz CBRRCXODUBGSIM-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497096 394006008 /nfs/dbraw/zinc/00/60/08/394006008.db2.gz CBRRCXODUBGSIM-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497096 394006012 /nfs/dbraw/zinc/00/60/12/394006012.db2.gz CBRRCXODUBGSIM-NVXWUHKLSA-N 1 3 292.854 3.299 20 0 CGADHO C[C@@H]1C[C@@H](NCCCCC[NH+]2CCCCC2)c2nccn21 ZINC000453126182 394180543 /nfs/dbraw/zinc/18/05/43/394180543.db2.gz RTWBBEKGVITPPZ-HZPDHXFCSA-N 1 3 290.455 3.135 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C1CC1)C1CCC1)N1CCCCC1 ZINC000453189213 394200025 /nfs/dbraw/zinc/20/00/25/394200025.db2.gz CNRCXFWYTNAUOE-RHSMWYFYSA-N 1 3 264.457 3.419 20 0 CGADHO CCc1cccnc1[C@@H](C)NCCCC[N@H+](C)C1CC1 ZINC000453394932 394230294 /nfs/dbraw/zinc/23/02/94/394230294.db2.gz HLDXHDWSMSPFJZ-CQSZACIVSA-N 1 3 275.440 3.169 20 0 CGADHO CCc1cccnc1[C@@H](C)NCCCC[N@@H+](C)C1CC1 ZINC000453394932 394230296 /nfs/dbraw/zinc/23/02/96/394230296.db2.gz HLDXHDWSMSPFJZ-CQSZACIVSA-N 1 3 275.440 3.169 20 0 CGADHO COC(C)(C)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000346530039 292056439 /nfs/dbraw/zinc/05/64/39/292056439.db2.gz QMWUBDIWTWVQDN-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784532 543061478 /nfs/dbraw/zinc/06/14/78/543061478.db2.gz DXUOQMYLNFELIF-OKZBNKHCSA-N 1 3 294.483 3.021 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCCCC1(F)F ZINC000394657974 397695581 /nfs/dbraw/zinc/69/55/81/397695581.db2.gz MYZAOCVNQQSBLL-STQMWFEESA-N 1 3 262.388 3.117 20 0 CGADHO C[C@@H](CCC(F)(F)F)NCc1ccc(C[NH3+])cc1F ZINC000650717557 397900977 /nfs/dbraw/zinc/90/09/77/397900977.db2.gz FGVQIVGIHFOAFA-VIFPVBQESA-N 1 3 278.293 3.105 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(Cl)cc1 ZINC000650718482 397901498 /nfs/dbraw/zinc/90/14/98/397901498.db2.gz OOJIUQVOJFXFGL-UHFFFAOYSA-N 1 3 274.795 3.349 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc2ccsc21 ZINC000650740712 397904473 /nfs/dbraw/zinc/90/44/73/397904473.db2.gz OVWDVJWKPCGHEG-TZMCWYRMSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650740712 397904476 /nfs/dbraw/zinc/90/44/76/397904476.db2.gz OVWDVJWKPCGHEG-TZMCWYRMSA-N 1 3 260.406 3.118 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740084 397904496 /nfs/dbraw/zinc/90/44/96/397904496.db2.gz GCXMKSQHTMYXBU-SJORKVTESA-N 1 3 290.426 3.497 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@@H](NCCC1CC[NH2+]CC1)CC2 ZINC000650761905 397911948 /nfs/dbraw/zinc/91/19/48/397911948.db2.gz NCYORWYAJSHEMU-ZDUSSCGKSA-N 1 3 298.352 3.071 20 0 CGADHO CC(C)c1nc([C@@H](C)NCCC2CC[NH2+]CC2)cs1 ZINC000650762982 397912465 /nfs/dbraw/zinc/91/24/65/397912465.db2.gz OJDYPAZREFCBRB-GFCCVEGCSA-N 1 3 281.469 3.307 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000675778723 543363986 /nfs/dbraw/zinc/36/39/86/543363986.db2.gz KFMQBTDAUHNVLB-CABCVRRESA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)[C@@H](C)C(C)C ZINC000678217783 543494964 /nfs/dbraw/zinc/49/49/64/543494964.db2.gz NBJHVCOFGUNKOD-INIZCTEOSA-N 1 3 292.467 3.493 20 0 CGADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)[C@@H](C)C(C)C ZINC000678217783 543494965 /nfs/dbraw/zinc/49/49/65/543494965.db2.gz NBJHVCOFGUNKOD-INIZCTEOSA-N 1 3 292.467 3.493 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC000678278177 543509184 /nfs/dbraw/zinc/50/91/84/543509184.db2.gz NUEDWFLJNDVZBK-WMLDXEAASA-N 1 3 272.436 3.479 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC000678278177 543509187 /nfs/dbraw/zinc/50/91/87/543509187.db2.gz NUEDWFLJNDVZBK-WMLDXEAASA-N 1 3 272.436 3.479 20 0 CGADHO C[C@H]1CC[N@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000678270560 543506501 /nfs/dbraw/zinc/50/65/01/543506501.db2.gz QIQBOMGKTJSWDM-JKSUJKDBSA-N 1 3 290.451 3.105 20 0 CGADHO C[C@H]1CC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C[C@H]1C ZINC000678270560 543506502 /nfs/dbraw/zinc/50/65/02/543506502.db2.gz QIQBOMGKTJSWDM-JKSUJKDBSA-N 1 3 290.451 3.105 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340325 543516106 /nfs/dbraw/zinc/51/61/06/543516106.db2.gz SXYRXZPSDLSSAU-PKOBYXMFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340325 543516107 /nfs/dbraw/zinc/51/61/07/543516107.db2.gz SXYRXZPSDLSSAU-PKOBYXMFSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340325 543516108 /nfs/dbraw/zinc/51/61/08/543516108.db2.gz SXYRXZPSDLSSAU-PKOBYXMFSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)CC[C@H]21 ZINC000678340325 543516109 /nfs/dbraw/zinc/51/61/09/543516109.db2.gz SXYRXZPSDLSSAU-PKOBYXMFSA-N 1 3 284.447 3.480 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000678593565 543539487 /nfs/dbraw/zinc/53/94/87/543539487.db2.gz JRVVWBWTISDDOV-UHOSZYNNSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678593565 543539488 /nfs/dbraw/zinc/53/94/88/543539488.db2.gz JRVVWBWTISDDOV-UHOSZYNNSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CCN3CCC[C@H]3C2)c1 ZINC000678593565 543539490 /nfs/dbraw/zinc/53/94/90/543539490.db2.gz JRVVWBWTISDDOV-UHOSZYNNSA-N 1 3 286.463 3.451 20 0 CGADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000310977601 298378522 /nfs/dbraw/zinc/37/85/22/298378522.db2.gz IHSUXRKNLGZJMG-KFWWJZLASA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H](C)C1CCCCC1 ZINC000423396510 287059704 /nfs/dbraw/zinc/05/97/04/287059704.db2.gz UGDFMFXLQVKUCM-IXYNUQLISA-N 1 3 252.446 3.321 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000093209543 165323825 /nfs/dbraw/zinc/32/38/25/165323825.db2.gz JSVFAGRUZPTCLU-OLZOCXBDSA-N 1 3 272.314 3.065 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000093211178 165324464 /nfs/dbraw/zinc/32/44/64/165324464.db2.gz OXGLGKLLZIDMSM-BPNCWPANSA-N 1 3 297.240 3.370 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000094522168 165352053 /nfs/dbraw/zinc/35/20/53/165352053.db2.gz MWPVAGNCZMTLJW-DYVFJYSZSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000094522163 165352175 /nfs/dbraw/zinc/35/21/75/165352175.db2.gz OMJYIKSLDIKNNW-GUYCJALGSA-N 1 3 258.409 3.123 20 0 CGADHO CCCN1CCC([N@H+](C)CCOc2cccc(C)c2)CC1 ZINC000109788563 287129559 /nfs/dbraw/zinc/12/95/59/287129559.db2.gz MEBVREBKVRSAOO-UHFFFAOYSA-N 1 3 290.451 3.180 20 0 CGADHO CCCN1CCC([N@@H+](C)CCOc2cccc(C)c2)CC1 ZINC000109788563 287129560 /nfs/dbraw/zinc/12/95/60/287129560.db2.gz MEBVREBKVRSAOO-UHFFFAOYSA-N 1 3 290.451 3.180 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(Cl)cc1 ZINC000020128997 171015900 /nfs/dbraw/zinc/01/59/00/171015900.db2.gz KUCODKGUUOWJHY-CYBMUJFWSA-N 1 3 266.816 3.477 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2NCCC[NH+]1CCCC1 ZINC000020129157 171017036 /nfs/dbraw/zinc/01/70/36/171017036.db2.gz RYKVBTVLOWUOKG-QGZVFWFLSA-N 1 3 258.409 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000020129157 171017037 /nfs/dbraw/zinc/01/70/37/171017037.db2.gz RYKVBTVLOWUOKG-QGZVFWFLSA-N 1 3 258.409 3.140 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000246900766 287268405 /nfs/dbraw/zinc/26/84/05/287268405.db2.gz LKAMFEHDMJCDOT-YYIAUSFCSA-N 1 3 294.483 3.044 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000038041787 174043611 /nfs/dbraw/zinc/04/36/11/174043611.db2.gz JCJDAMXPLFOORA-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1cccs1 ZINC000038098004 174111972 /nfs/dbraw/zinc/11/19/72/174111972.db2.gz MRRPIRUQYIAOKM-CYBMUJFWSA-N 1 3 252.427 3.273 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000129201374 287326546 /nfs/dbraw/zinc/32/65/46/287326546.db2.gz IQGMYVDFUSXEMN-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCO[C@@H]1CN([C@@H](C)c2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000405600278 416558314 /nfs/dbraw/zinc/55/83/14/416558314.db2.gz PCIOMYCBPNUCAW-ZSZQSSIHSA-N 1 3 298.430 3.196 20 0 CGADHO CCO[C@@H]1C[N@@H+]([C@@H](C)c2cccc3ccccc32)C[C@H]1CN ZINC000405600278 416558316 /nfs/dbraw/zinc/55/83/16/416558316.db2.gz PCIOMYCBPNUCAW-ZSZQSSIHSA-N 1 3 298.430 3.196 20 0 CGADHO CCO[C@@H]1C[N@H+]([C@@H](C)c2cccc3ccccc32)C[C@H]1CN ZINC000405600278 416558320 /nfs/dbraw/zinc/55/83/20/416558320.db2.gz PCIOMYCBPNUCAW-ZSZQSSIHSA-N 1 3 298.430 3.196 20 0 CGADHO CC[C@@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122778325 416505860 /nfs/dbraw/zinc/50/58/60/416505860.db2.gz BAHURDVINLJHMJ-CJNGLKHVSA-N 1 3 296.842 3.168 20 0 CGADHO CC[C@@H]1CN(CCCOc2cc(C)ccc2C)CC[C@@H]1[NH3+] ZINC000122723370 416505933 /nfs/dbraw/zinc/50/59/33/416505933.db2.gz FPAQSIBMEJTSQJ-SJORKVTESA-N 1 3 290.451 3.132 20 0 CGADHO CC1CC[NH+](Cc2ccc(CNC3CSC3)cc2)CC1 ZINC000679625330 543650771 /nfs/dbraw/zinc/65/07/71/543650771.db2.gz SYKBVNGMGYABHT-UHFFFAOYSA-N 1 3 290.476 3.124 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130348975 287352827 /nfs/dbraw/zinc/35/28/27/287352827.db2.gz OGNWEZLRTROZDT-NCOADZHNSA-N 1 3 264.457 3.418 20 0 CGADHO c1ccc(C2CCC(CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000682027909 543816545 /nfs/dbraw/zinc/81/65/45/543816545.db2.gz MWXCPODYWKJXCS-FYOYPEGLSA-N 1 3 284.447 3.112 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000685839454 544100173 /nfs/dbraw/zinc/10/01/73/544100173.db2.gz KOJONYFXIUWSKW-QGZVFWFLSA-N 1 3 298.474 3.065 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685839454 544100174 /nfs/dbraw/zinc/10/01/74/544100174.db2.gz KOJONYFXIUWSKW-QGZVFWFLSA-N 1 3 298.474 3.065 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000685839454 544100176 /nfs/dbraw/zinc/10/01/76/544100176.db2.gz KOJONYFXIUWSKW-QGZVFWFLSA-N 1 3 298.474 3.065 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000685839454 544100177 /nfs/dbraw/zinc/10/01/77/544100177.db2.gz KOJONYFXIUWSKW-QGZVFWFLSA-N 1 3 298.474 3.065 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000246092172 287489493 /nfs/dbraw/zinc/48/94/93/287489493.db2.gz GUBFQSNTIZARNP-QZWWFDLISA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc3ccsc32)CC[N@@H+]1C ZINC000652220097 418936967 /nfs/dbraw/zinc/93/69/67/418936967.db2.gz UMKNYSWWFFMRNH-SWLSCSKDSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc3ccsc32)CC[N@H+]1C ZINC000652220097 418936970 /nfs/dbraw/zinc/93/69/70/418936970.db2.gz UMKNYSWWFFMRNH-SWLSCSKDSA-N 1 3 274.433 3.474 20 0 CGADHO C([C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)N1CCCCC1 ZINC000659955854 419045017 /nfs/dbraw/zinc/04/50/17/419045017.db2.gz FBGSWWVTUJHLHT-VSZNYVQBSA-N 1 3 276.468 3.230 20 0 CGADHO C([C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)N1CCCCC1 ZINC000659955854 419045018 /nfs/dbraw/zinc/04/50/18/419045018.db2.gz FBGSWWVTUJHLHT-VSZNYVQBSA-N 1 3 276.468 3.230 20 0 CGADHO NC1(C[NH2+][C@H](CC2CC2)c2ccccc2)CCCC1 ZINC000665247866 419090827 /nfs/dbraw/zinc/09/08/27/419090827.db2.gz LBGAXDHLDROAOL-MRXNPFEDSA-N 1 3 258.409 3.389 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000665274216 419097968 /nfs/dbraw/zinc/09/79/68/419097968.db2.gz LYTJQZCFLMHDTO-CZWNDGCPSA-N 1 3 293.430 3.416 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1ccco1 ZINC000665282834 419102829 /nfs/dbraw/zinc/10/28/29/419102829.db2.gz COIFDLGCOFPQIW-CABCVRRESA-N 1 3 264.413 3.113 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(Cl)cccc2Cl)C1 ZINC000655826204 419109295 /nfs/dbraw/zinc/10/92/95/419109295.db2.gz SEMGBIDWRVMGOZ-PHIMTYICSA-N 1 3 287.234 3.423 20 0 CGADHO Cc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000655939792 419129585 /nfs/dbraw/zinc/12/95/85/419129585.db2.gz UIBKOCBSOXCVSG-HNNXBMFYSA-N 1 3 292.854 3.470 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1c(Cl)cccc1Cl ZINC000656199867 419148991 /nfs/dbraw/zinc/14/89/91/419148991.db2.gz GASPQQFGHPWKJG-ZIAGYGMSSA-N 1 3 287.234 3.395 20 0 CGADHO C[C@@H](c1ccccc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656086 419177256 /nfs/dbraw/zinc/17/72/56/419177256.db2.gz PRBUSNYZFPJBAT-DOTOQJQBSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@@H](c1ccccc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656086 419177259 /nfs/dbraw/zinc/17/72/59/419177259.db2.gz PRBUSNYZFPJBAT-DOTOQJQBSA-N 1 3 258.409 3.165 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@@H]2CCN(CC)C2)c(C)c1 ZINC000657315982 419248053 /nfs/dbraw/zinc/24/80/53/419248053.db2.gz WYIHGVOJWJSIFU-INIZCTEOSA-N 1 3 290.451 3.215 20 0 CGADHO CC[C@@H]1C[C@H](NCc2cccc(C[NH+](CC)CC)c2)CO1 ZINC000657315097 419248513 /nfs/dbraw/zinc/24/85/13/419248513.db2.gz KAEDSHAHJXTVMW-ZWKOTPCHSA-N 1 3 290.451 3.186 20 0 CGADHO Cc1ccc2cc(C[NH2+]C3CCN(CC4CC4)CC3)[nH]c2c1 ZINC000657317883 419249379 /nfs/dbraw/zinc/24/93/79/419249379.db2.gz FFJKGSASBPHSLL-UHFFFAOYSA-N 1 3 297.446 3.440 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656788727 419221411 /nfs/dbraw/zinc/22/14/11/419221411.db2.gz BUBSPXDLWKVTII-DLBZAZTESA-N 1 3 272.436 3.358 20 0 CGADHO C[C@H](c1cccc(O)c1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255351 419372164 /nfs/dbraw/zinc/37/21/64/419372164.db2.gz CCCTXIIQCLANBA-CQSZACIVSA-N 1 3 296.414 3.231 20 0 CGADHO [NH3+]C[C@H](NCCSc1ccc(F)cc1)C1CCCCC1 ZINC000662277719 419381800 /nfs/dbraw/zinc/38/18/00/419381800.db2.gz SRAVOGSPBPIPEC-INIZCTEOSA-N 1 3 296.455 3.415 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc2cnccc2o1 ZINC000657843155 419384571 /nfs/dbraw/zinc/38/45/71/419384571.db2.gz CTGGJRHCKQRSES-CYBMUJFWSA-N 1 3 299.418 3.353 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000662284343 419385042 /nfs/dbraw/zinc/38/50/42/419385042.db2.gz GZQOZEOEICXGAL-AOIWGVFYSA-N 1 3 284.447 3.167 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000662284343 419385047 /nfs/dbraw/zinc/38/50/47/419385047.db2.gz GZQOZEOEICXGAL-AOIWGVFYSA-N 1 3 284.447 3.167 20 0 CGADHO CCC(CC)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166643 419632374 /nfs/dbraw/zinc/63/23/74/419632374.db2.gz KHBKNDCKIULJTC-UHFFFAOYSA-N 1 3 275.440 3.072 20 0 CGADHO Cc1cc(CNCC[C@@H]([NH3+])C(C)C)ccc1Br ZINC000663497968 419636298 /nfs/dbraw/zinc/63/62/98/419636298.db2.gz JANDUYFNIRVAFQ-CQSZACIVSA-N 1 3 299.256 3.221 20 0 CGADHO C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663466363 419615133 /nfs/dbraw/zinc/61/51/33/419615133.db2.gz RSQJJBPFDLRUAH-IRXDYDNUSA-N 1 3 276.468 3.421 20 0 CGADHO CCCC[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468864 419618518 /nfs/dbraw/zinc/61/85/18/419618518.db2.gz NBSWXPPKSVWXNQ-GOEBONIOSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165669 419631093 /nfs/dbraw/zinc/63/10/93/419631093.db2.gz JUFNQOMHRSLRCK-HNNXBMFYSA-N 1 3 287.451 3.072 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533860 270036375 /nfs/dbraw/zinc/03/63/75/270036375.db2.gz VCBDPTKIFXLABH-CHWSQXEVSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533860 270036378 /nfs/dbraw/zinc/03/63/78/270036378.db2.gz VCBDPTKIFXLABH-CHWSQXEVSA-N 1 3 298.377 3.280 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000044534744 270036436 /nfs/dbraw/zinc/03/64/36/270036436.db2.gz RPTCTXBJJKLELU-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534744 270036437 /nfs/dbraw/zinc/03/64/37/270036437.db2.gz RPTCTXBJJKLELU-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO C[NH+](C)C1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185497198 270063014 /nfs/dbraw/zinc/06/30/14/270063014.db2.gz YTNHGAHEANBZOL-UHFFFAOYSA-N 1 3 292.389 3.381 20 0 CGADHO [O-]c1cc(F)cc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000185532812 270063181 /nfs/dbraw/zinc/06/31/81/270063181.db2.gz ZIDLYCFGHAQJTA-UHFFFAOYSA-N 1 3 294.414 3.277 20 0 CGADHO Cc1c[nH+]ccc1NC[C@H](c1cccc(F)c1)N(C)C ZINC000191977094 270076905 /nfs/dbraw/zinc/07/69/05/270076905.db2.gz WHXZFJPLEPYYAU-MRXNPFEDSA-N 1 3 273.355 3.244 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530360 270182735 /nfs/dbraw/zinc/18/27/35/270182735.db2.gz DYRJSDYJDNTIHW-HZSPNIEDSA-N 1 3 288.426 3.378 20 0 CGADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530222157 270196481 /nfs/dbraw/zinc/19/64/81/270196481.db2.gz QJZSKCWFQNJRDT-CKEIUWERSA-N 1 3 288.435 3.061 20 0 CGADHO CC(C)[NH+]1CCC(NCC(C)(C)Oc2ccccc2)CC1 ZINC000531966858 270211760 /nfs/dbraw/zinc/21/17/60/270211760.db2.gz MNAPQYBJCRWSQF-UHFFFAOYSA-N 1 3 290.451 3.306 20 0 CGADHO C[C@@H](CN)C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423294656 274214218 /nfs/dbraw/zinc/21/42/18/274214218.db2.gz CNJHTCLOVQBGFN-FZMZJTMJSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2c3ccccc3sc21 ZINC000423294656 274214220 /nfs/dbraw/zinc/21/42/20/274214220.db2.gz CNJHTCLOVQBGFN-FZMZJTMJSA-N 1 3 274.433 3.463 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000162083743 274349290 /nfs/dbraw/zinc/34/92/90/274349290.db2.gz XCZZNUXFGRJASV-PVAVHDDUSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000162083743 274349291 /nfs/dbraw/zinc/34/92/91/274349291.db2.gz XCZZNUXFGRJASV-PVAVHDDUSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000245697915 274349516 /nfs/dbraw/zinc/34/95/16/274349516.db2.gz XCZZNUXFGRJASV-OIISXLGYSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)[C@@H]1c1ccccc1 ZINC000245697915 274349517 /nfs/dbraw/zinc/34/95/17/274349517.db2.gz XCZZNUXFGRJASV-OIISXLGYSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423303996 274482925 /nfs/dbraw/zinc/48/29/25/274482925.db2.gz XXPOCENFCASZGR-OQPBUACISA-N 1 3 273.207 3.165 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000248853819 287788212 /nfs/dbraw/zinc/78/82/12/287788212.db2.gz KIHBUTLLQMJDMY-QBPKDAKJSA-N 1 3 296.499 3.290 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1Nc1ccnc2ccccc21 ZINC000089109057 274951697 /nfs/dbraw/zinc/95/16/97/274951697.db2.gz IQIOYGAHXMYKAE-TZMCWYRMSA-N 1 3 255.365 3.164 20 0 CGADHO c1ccc2c(c1)CCC([NH2+]Cc1ccc3c(c1)CNC3)CC2 ZINC000423385062 275069152 /nfs/dbraw/zinc/06/91/52/275069152.db2.gz LKPZQXSWCMWIMZ-UHFFFAOYSA-N 1 3 292.426 3.327 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCCCCC1 ZINC000250816620 275395552 /nfs/dbraw/zinc/39/55/52/275395552.db2.gz FJGVZPGETFZJDH-CVEARBPZSA-N 1 3 250.430 3.173 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCCCCC1 ZINC000250816623 275396272 /nfs/dbraw/zinc/39/62/72/275396272.db2.gz FJGVZPGETFZJDH-HOTGVXAUSA-N 1 3 250.430 3.173 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414948664 276042483 /nfs/dbraw/zinc/04/24/83/276042483.db2.gz MNAJGGMLGBXMDH-UAGQMJEPSA-N 1 3 260.425 3.128 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288619 276073234 /nfs/dbraw/zinc/07/32/34/276073234.db2.gz QUWNVETUQYDMMC-XIRDDKMYSA-N 1 3 264.457 3.252 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000428288619 276073235 /nfs/dbraw/zinc/07/32/35/276073235.db2.gz QUWNVETUQYDMMC-XIRDDKMYSA-N 1 3 264.457 3.252 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000294866562 276110813 /nfs/dbraw/zinc/11/08/13/276110813.db2.gz WHNAWGYUNMFCPO-HDMKZQKVSA-N 1 3 290.451 3.184 20 0 CGADHO CC1(C)C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000119345546 276148160 /nfs/dbraw/zinc/14/81/60/276148160.db2.gz HVUARORRTFVPLC-MRXNPFEDSA-N 1 3 294.483 3.331 20 0 CGADHO CN1CC=C(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352836318 277023097 /nfs/dbraw/zinc/02/30/97/277023097.db2.gz KBZGEORHECPVBI-UHFFFAOYSA-N 1 3 262.441 3.341 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000414209350 277238592 /nfs/dbraw/zinc/23/85/92/277238592.db2.gz SOUOGTYJKCGBRH-BQFCYCMXSA-N 1 3 296.499 3.292 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000191638581 277325917 /nfs/dbraw/zinc/32/59/17/277325917.db2.gz KSXXBAXRXBMZIU-JYYAWHABSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000191638581 277325919 /nfs/dbraw/zinc/32/59/19/277325919.db2.gz KSXXBAXRXBMZIU-JYYAWHABSA-N 1 3 282.472 3.043 20 0 CGADHO CSCc1cc(F)ccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422850358 278140581 /nfs/dbraw/zinc/14/05/81/278140581.db2.gz CZUOZJOMBANSNT-CVEARBPZSA-N 1 3 296.455 3.438 20 0 CGADHO C[C@H](CCC(F)(F)F)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414932080 278168032 /nfs/dbraw/zinc/16/80/32/278168032.db2.gz SGCLYFGOPBTNGX-MNOVXSKESA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC(C)(C)C1)N1CCCCC1 ZINC000346884366 278174201 /nfs/dbraw/zinc/17/42/01/278174201.db2.gz ZYCMFWWPYINQLN-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc2cc(CN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)ccc2n1 ZINC000397302743 288022617 /nfs/dbraw/zinc/02/26/17/288022617.db2.gz GRLHRRLHROYMSG-SIIHOXLZSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCCc2ccccc21 ZINC000093462658 278218465 /nfs/dbraw/zinc/21/84/65/278218465.db2.gz VFDPLFYYDUHVTO-FRFSOERESA-N 1 3 258.409 3.184 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397353285 288023062 /nfs/dbraw/zinc/02/30/62/288023062.db2.gz VFQGZJAQWGDIGG-BZPMIXESSA-N 1 3 298.377 3.093 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@H]1CCc2c1c(F)ccc2F ZINC000423442635 278227566 /nfs/dbraw/zinc/22/75/66/278227566.db2.gz VDNUCQPDOPXEGE-HZMBPMFUSA-N 1 3 268.351 3.059 20 0 CGADHO CC(C)(C)CC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262025122 278315999 /nfs/dbraw/zinc/31/59/99/278315999.db2.gz WOOLFUUOWIYEBH-CVEARBPZSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)(C)CC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262025122 278316002 /nfs/dbraw/zinc/31/60/02/278316002.db2.gz WOOLFUUOWIYEBH-CVEARBPZSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037374172 278336407 /nfs/dbraw/zinc/33/64/07/278336407.db2.gz AZXIHJWQOQMNAV-YOEHRIQHSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000422956156 278389565 /nfs/dbraw/zinc/38/95/65/278389565.db2.gz KULFSUKTRCCMLA-WVZRYYJFSA-N 1 3 258.409 3.213 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@H]2CN)[C@@H]1c1ccccc1 ZINC000423167367 278425904 /nfs/dbraw/zinc/42/59/04/278425904.db2.gz DYMDOVYGJHIZSA-NXOAAHMSSA-N 1 3 272.436 3.143 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422819039 278561888 /nfs/dbraw/zinc/56/18/88/278561888.db2.gz MCRNMDMAONEAEI-MQYQWHSLSA-N 1 3 292.389 3.333 20 0 CGADHO Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000302233035 278710262 /nfs/dbraw/zinc/71/02/62/278710262.db2.gz YYJGEXICYVCPPF-QGZVFWFLSA-N 1 3 287.451 3.482 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000423148258 279082149 /nfs/dbraw/zinc/08/21/49/279082149.db2.gz FOIOPTUSMWSGCH-CYBMUJFWSA-N 1 3 275.440 3.470 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000423117214 279367715 /nfs/dbraw/zinc/36/77/15/279367715.db2.gz UHFJFMAITNZLFX-XJFOESAGSA-N 1 3 290.398 3.047 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089141449 279378715 /nfs/dbraw/zinc/37/87/15/279378715.db2.gz RYSGSTDNTHPRIG-XPKDYRNWSA-N 1 3 280.843 3.378 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000423401220 279675211 /nfs/dbraw/zinc/67/52/11/279675211.db2.gz VWXPHUINMFMXHA-IPYPFGDCSA-N 1 3 264.800 3.187 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000344127077 288159887 /nfs/dbraw/zinc/15/98/87/288159887.db2.gz YSJZRYIDOWHNDQ-BDXSIMOUSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000070346730 280031610 /nfs/dbraw/zinc/03/16/10/280031610.db2.gz SNBWKBMUHLCAFO-HIFRSBDPSA-N 1 3 282.472 3.089 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@@H]2C)c2ccccc21 ZINC000423391764 280033209 /nfs/dbraw/zinc/03/32/09/280033209.db2.gz LAKUMGPWVGJPRI-MGHWNKPDSA-N 1 3 272.436 3.459 20 0 CGADHO CN1CCCC[C@H]1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652730 288211245 /nfs/dbraw/zinc/21/12/45/288211245.db2.gz WHVRNUUBTSMFSZ-FUHWJXTLSA-N 1 3 287.451 3.387 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)C1CC(F)(F)C1)N1CCCCC1 ZINC000529541421 288261792 /nfs/dbraw/zinc/26/17/92/288261792.db2.gz LBNXJOWUFDUORZ-OLZOCXBDSA-N 1 3 274.399 3.274 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584608 288265733 /nfs/dbraw/zinc/26/57/33/288265733.db2.gz DFCNZEHWLINEEM-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529584608 288265735 /nfs/dbraw/zinc/26/57/35/288265735.db2.gz DFCNZEHWLINEEM-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C[C@H](C)N)CC3 ZINC000423043219 281036624 /nfs/dbraw/zinc/03/66/24/281036624.db2.gz NXOQFSWRUVRHML-BFHYXJOUSA-N 1 3 285.435 3.049 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530176870 288294308 /nfs/dbraw/zinc/29/43/08/288294308.db2.gz DSOGJAIMPSVQOU-YESZJQIVSA-N 1 3 270.420 3.197 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3Cl)C1 ZINC000531715249 288342288 /nfs/dbraw/zinc/34/22/88/288342288.db2.gz HFXXSZWEZGRCBH-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3Cl)C1 ZINC000531715249 288342290 /nfs/dbraw/zinc/34/22/90/288342290.db2.gz HFXXSZWEZGRCBH-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3Cl)C1 ZINC000531715247 288342386 /nfs/dbraw/zinc/34/23/86/288342386.db2.gz HFXXSZWEZGRCBH-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3Cl)C1 ZINC000531715247 288342389 /nfs/dbraw/zinc/34/23/89/288342389.db2.gz HFXXSZWEZGRCBH-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCC1 ZINC000532200551 288355156 /nfs/dbraw/zinc/35/51/56/288355156.db2.gz QVZLFXQUOMLQEL-SFHVURJKSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337375592 288478464 /nfs/dbraw/zinc/47/84/64/288478464.db2.gz ADUFQTPDTOEGLM-OAGGEKHMSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000554384906 289280313 /nfs/dbraw/zinc/28/03/13/289280313.db2.gz NQXWFPRZDSJJFI-PVAVHDDUSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)C1(N[C@H](C)CC[NH2+]C2(C(C)C)CC2)CC1 ZINC000555618325 289353054 /nfs/dbraw/zinc/35/30/54/289353054.db2.gz CKVPIYRDGQDQKO-CQSZACIVSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)C1(NCC[C@@H](C)[NH2+]C2(C(C)C)CC2)CC1 ZINC000555618325 289353053 /nfs/dbraw/zinc/35/30/53/289353053.db2.gz CKVPIYRDGQDQKO-CQSZACIVSA-N 1 3 252.446 3.321 20 0 CGADHO CC1=CC[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000556263513 289383135 /nfs/dbraw/zinc/38/31/35/289383135.db2.gz BLHSAHNVOGXPKW-HZPDHXFCSA-N 1 3 250.430 3.339 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000422881278 289733727 /nfs/dbraw/zinc/73/37/27/289733727.db2.gz YPXZXGUQPKGHEB-RRFJBIMHSA-N 1 3 275.440 3.063 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424387853 295267721 /nfs/dbraw/zinc/26/77/21/295267721.db2.gz YVOZYRXLGSHGJU-JJXSEGSLSA-N 1 3 250.430 3.062 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261714610 302036630 /nfs/dbraw/zinc/03/66/30/302036630.db2.gz FAWGBOBDWASKNQ-SJORKVTESA-N 1 3 258.409 3.132 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2sc(Cl)cc21 ZINC000423120649 303402413 /nfs/dbraw/zinc/40/24/13/303402413.db2.gz HDKKCMHDFHCAJC-MVWJERBFSA-N 1 3 284.856 3.496 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000423217401 304855295 /nfs/dbraw/zinc/85/52/95/304855295.db2.gz UBGNHNQMXSVCFI-NJAFHUGGSA-N 1 3 272.436 3.302 20 0 CGADHO CCCOc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC000582122509 327880798 /nfs/dbraw/zinc/88/07/98/327880798.db2.gz QMIONJWGHZFFFQ-UHFFFAOYSA-N 1 3 284.403 3.224 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000582514931 329099719 /nfs/dbraw/zinc/09/97/19/329099719.db2.gz ZJUHUNWIQLMHEK-BBRMVZONSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000582514931 329099721 /nfs/dbraw/zinc/09/97/21/329099721.db2.gz ZJUHUNWIQLMHEK-BBRMVZONSA-N 1 3 280.843 3.420 20 0 CGADHO COc1cccc2c1CCC[C@H]2[NH2+]CC1(N)CCCCC1 ZINC000564200500 322022984 /nfs/dbraw/zinc/02/29/84/322022984.db2.gz DBQJTTRITXYXGC-MRXNPFEDSA-N 1 3 288.435 3.324 20 0 CGADHO CC(C)[C@H](C[N@@H+]1C[C@@H](CN)C[C@@H]1C)c1ccccc1 ZINC000564569776 322034609 /nfs/dbraw/zinc/03/46/09/322034609.db2.gz CLWLGGLEGPVZQK-UXLLHSPISA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1C[C@@H](CN)C[C@@H]1C)c1ccccc1 ZINC000564569776 322034612 /nfs/dbraw/zinc/03/46/12/322034612.db2.gz CLWLGGLEGPVZQK-UXLLHSPISA-N 1 3 260.425 3.095 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000565226879 322068444 /nfs/dbraw/zinc/06/84/44/322068444.db2.gz OTOCKRGWWHEVTI-GJZGRUSLSA-N 1 3 296.842 3.277 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565226879 322068446 /nfs/dbraw/zinc/06/84/46/322068446.db2.gz OTOCKRGWWHEVTI-GJZGRUSLSA-N 1 3 296.842 3.277 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCCc2cccs2)c2ccccc21 ZINC000565534007 322081212 /nfs/dbraw/zinc/08/12/12/322081212.db2.gz UWXQBARDJKEXJV-CVEARBPZSA-N 1 3 272.417 3.415 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000565633149 322084933 /nfs/dbraw/zinc/08/49/33/322084933.db2.gz YARJMTMUQNCYBR-CQSZACIVSA-N 1 3 280.481 3.391 20 0 CGADHO C[C@H](Cc1ccsc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000565633149 322084935 /nfs/dbraw/zinc/08/49/35/322084935.db2.gz YARJMTMUQNCYBR-CQSZACIVSA-N 1 3 280.481 3.391 20 0 CGADHO CCCCCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000565657734 322085763 /nfs/dbraw/zinc/08/57/63/322085763.db2.gz GIZQGBVBIUVSMU-GJZGRUSLSA-N 1 3 278.440 3.471 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2ccc(-c3ccncc3)cc2F)C1 ZINC000566666304 322133645 /nfs/dbraw/zinc/13/36/45/322133645.db2.gz FROGBIOYOOMFCB-SUMWQHHRSA-N 1 3 299.393 3.105 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000567368892 322160965 /nfs/dbraw/zinc/16/09/65/322160965.db2.gz ITLDHKLFWAIRBB-PBHICJAKSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](CCc1ccco1)NCC1([NH3+])CCCCCC1 ZINC000567638551 322171914 /nfs/dbraw/zinc/17/19/14/322171914.db2.gz WGVMDTOMDJNKMB-CQSZACIVSA-N 1 3 264.413 3.242 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(-c3ccncc3)cc2)C1 ZINC000568248474 322200710 /nfs/dbraw/zinc/20/07/10/322200710.db2.gz SDKAARSZPUGUNU-ROUUACIJSA-N 1 3 281.403 3.108 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000568414088 322208677 /nfs/dbraw/zinc/20/86/77/322208677.db2.gz ZZWGASZUGJBLDR-MRXNPFEDSA-N 1 3 285.435 3.378 20 0 CGADHO CC(C)[C@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000569039527 322232690 /nfs/dbraw/zinc/23/26/90/322232690.db2.gz ZYJPGXYGSOIJEU-KRWDZBQOSA-N 1 3 262.441 3.310 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000570507872 322275006 /nfs/dbraw/zinc/27/50/06/322275006.db2.gz KDCKXIBUEPFKQA-WBVHZDCISA-N 1 3 275.440 3.086 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000570507872 322275007 /nfs/dbraw/zinc/27/50/07/322275007.db2.gz KDCKXIBUEPFKQA-WBVHZDCISA-N 1 3 275.440 3.086 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000571275536 322294408 /nfs/dbraw/zinc/29/44/08/322294408.db2.gz GYQKXHVVZUUGLB-KZULUSFZSA-N 1 3 299.393 3.481 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000571431566 322298709 /nfs/dbraw/zinc/29/87/09/322298709.db2.gz SNECFJHXDVCMQT-RBUKOAKNSA-N 1 3 295.430 3.356 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000572847615 322358087 /nfs/dbraw/zinc/35/80/87/322358087.db2.gz JFKLVCFOQPFREZ-WMLDXEAASA-N 1 3 258.409 3.001 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C1 ZINC000573220477 322376602 /nfs/dbraw/zinc/37/66/02/322376602.db2.gz ASHYTOZCOFVAKI-JKSUJKDBSA-N 1 3 276.399 3.008 20 0 CGADHO C[C@H](CC[NH2+]C1CCC(C)CC1)N1CCCCC1 ZINC000573364301 322384373 /nfs/dbraw/zinc/38/43/73/322384373.db2.gz MAODCXXZVNUBGE-HWOWSKLDSA-N 1 3 252.446 3.419 20 0 CGADHO COc1ccc(CN[C@H](C)C[C@H](C)[NH3+])c2ccccc12 ZINC000582241124 328844842 /nfs/dbraw/zinc/84/48/42/328844842.db2.gz CJVSPLOXPUTZHA-QWHCGFSZSA-N 1 3 272.392 3.064 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000582540560 329108960 /nfs/dbraw/zinc/10/89/60/329108960.db2.gz ZTZUKEYMIZQMGK-XIRDDKMYSA-N 1 3 260.425 3.156 20 0 CGADHO CC(C)NCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000582540560 329108961 /nfs/dbraw/zinc/10/89/61/329108961.db2.gz ZTZUKEYMIZQMGK-XIRDDKMYSA-N 1 3 260.425 3.156 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000582838029 329276127 /nfs/dbraw/zinc/27/61/27/329276127.db2.gz OSYGCBSOOADJNO-MRXNPFEDSA-N 1 3 292.467 3.399 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000584464124 329490698 /nfs/dbraw/zinc/49/06/98/329490698.db2.gz WPGKDISKRVUVOA-BMFZPTHFSA-N 1 3 290.455 3.138 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000578738385 335668197 /nfs/dbraw/zinc/66/81/97/335668197.db2.gz PHAWIEJPRIXNBZ-USXIJHARSA-N 1 3 260.425 3.156 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000581456589 336080105 /nfs/dbraw/zinc/08/01/05/336080105.db2.gz LRCDEUPJIPUCTA-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000581456589 336080107 /nfs/dbraw/zinc/08/01/07/336080107.db2.gz LRCDEUPJIPUCTA-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000581456589 336080108 /nfs/dbraw/zinc/08/01/08/336080108.db2.gz LRCDEUPJIPUCTA-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000581456589 336080110 /nfs/dbraw/zinc/08/01/10/336080110.db2.gz LRCDEUPJIPUCTA-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CCCSC1 ZINC000384182269 336122553 /nfs/dbraw/zinc/12/25/53/336122553.db2.gz XDGRYMYZOJIGDK-QXSJWSMHSA-N 1 3 282.497 3.030 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000581895280 336162477 /nfs/dbraw/zinc/16/24/77/336162477.db2.gz YXNWKAAULAGMJX-MROQNXINSA-N 1 3 278.362 3.215 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)CN(C)C ZINC000386450030 336175145 /nfs/dbraw/zinc/17/51/45/336175145.db2.gz DOVOXBXJTDDCOV-GHMZBOCLSA-N 1 3 272.795 3.327 20 0 CGADHO CC(C)CSCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000155780953 519768031 /nfs/dbraw/zinc/76/80/31/519768031.db2.gz IHHDKQOPZZLPEN-HZPDHXFCSA-N 1 3 284.513 3.182 20 0 CGADHO CCC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000037643634 520777709 /nfs/dbraw/zinc/77/77/09/520777709.db2.gz GJQKEWHUCSWPOC-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CCC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000037643634 520777716 /nfs/dbraw/zinc/77/77/16/520777716.db2.gz GJQKEWHUCSWPOC-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423296043 533773690 /nfs/dbraw/zinc/77/36/90/533773690.db2.gz GBVZFCFNAYZARX-XHDPSFHLSA-N 1 3 266.816 3.292 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357864227 533825169 /nfs/dbraw/zinc/82/51/69/533825169.db2.gz ZHKIJRGJLSVUMP-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CSCc1cc(F)ccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422866846 533837628 /nfs/dbraw/zinc/83/76/28/533837628.db2.gz RHFJQQNVBWOFSH-MLGOLLRUSA-N 1 3 296.455 3.296 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1F ZINC000423463298 533883442 /nfs/dbraw/zinc/88/34/42/533883442.db2.gz FLXZEXQNSMAXOV-QJPTWQEYSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCN1 ZINC000414953763 533964245 /nfs/dbraw/zinc/96/42/45/533964245.db2.gz RXBPKBRSWOQSQU-VDHUWJSZSA-N 1 3 272.436 3.227 20 0 CGADHO CS[C@@H]1CC[C@H]1NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000425366411 533999576 /nfs/dbraw/zinc/99/95/76/533999576.db2.gz ZZEXCRPVZOGJSF-USXIJHARSA-N 1 3 292.492 3.381 20 0 CGADHO CS[C@@H]1CC[C@H]1NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366411 533999577 /nfs/dbraw/zinc/99/95/77/533999577.db2.gz ZZEXCRPVZOGJSF-USXIJHARSA-N 1 3 292.492 3.381 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000423388463 534257205 /nfs/dbraw/zinc/25/72/05/534257205.db2.gz NQEOJWHSCKAYQU-XNJGSVPQSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000449061312 534259052 /nfs/dbraw/zinc/25/90/52/534259052.db2.gz IFDOWAFGKSDEIJ-LSDHHAIUSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@@H](Cc1ccoc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000449061312 534259055 /nfs/dbraw/zinc/25/90/55/534259055.db2.gz IFDOWAFGKSDEIJ-LSDHHAIUSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@@H](Cc1ccoc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000449061312 534259057 /nfs/dbraw/zinc/25/90/57/534259057.db2.gz IFDOWAFGKSDEIJ-LSDHHAIUSA-N 1 3 264.413 3.065 20 0 CGADHO CC(C)CSCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000155780953 519768030 /nfs/dbraw/zinc/76/80/30/519768030.db2.gz IHHDKQOPZZLPEN-HZPDHXFCSA-N 1 3 284.513 3.182 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1 ZINC000037643634 520777700 /nfs/dbraw/zinc/77/77/00/520777700.db2.gz GJQKEWHUCSWPOC-DOTOQJQBSA-N 1 3 260.425 3.459 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000037643696 524046059 /nfs/dbraw/zinc/04/60/59/524046059.db2.gz ZDWVWMCGGBVJDX-GOEBONIOSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000037643696 524046061 /nfs/dbraw/zinc/04/60/61/524046061.db2.gz ZDWVWMCGGBVJDX-GOEBONIOSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000037643696 524046064 /nfs/dbraw/zinc/04/60/64/524046064.db2.gz ZDWVWMCGGBVJDX-GOEBONIOSA-N 1 3 260.425 3.241 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000088164168 524573796 /nfs/dbraw/zinc/57/37/96/524573796.db2.gz CJYUDTXFVAXJMX-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000088164168 524573802 /nfs/dbraw/zinc/57/38/02/524573802.db2.gz CJYUDTXFVAXJMX-AYHJJNSGSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ccccc1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157466389 525115961 /nfs/dbraw/zinc/11/59/61/525115961.db2.gz SQLSKFBAHFLCDV-QZTJIDSGSA-N 1 3 266.388 3.272 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(C3CC3)c2)CC[N@@H+]1C ZINC000157700738 525267451 /nfs/dbraw/zinc/26/74/51/525267451.db2.gz XIXLARCEVULNDE-DYVFJYSZSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(C3CC3)c2)CC[N@H+]1C ZINC000157700738 525267455 /nfs/dbraw/zinc/26/74/55/525267455.db2.gz XIXLARCEVULNDE-DYVFJYSZSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)N(C)CC1CC[NH2+]CC1 ZINC000094010960 526176847 /nfs/dbraw/zinc/17/68/47/526176847.db2.gz ULWYXBIWNXBDHG-LBPRGKRZSA-N 1 3 289.448 3.289 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423132737 526274212 /nfs/dbraw/zinc/27/42/12/526274212.db2.gz CCEPCQCIEFHQOW-GUDVDZBRSA-N 1 3 284.447 3.382 20 0 CGADHO C/C=C\COc1ccc(CC[C@H](C)NC[C@H]([NH3+])CC)cc1 ZINC000423457866 526309913 /nfs/dbraw/zinc/30/99/13/526309913.db2.gz GGHBSNUJZLECOK-BUPRPMBJSA-N 1 3 290.451 3.290 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(C(F)F)cc1 ZINC000150290752 527194057 /nfs/dbraw/zinc/19/40/57/527194057.db2.gz NYMLMOHNAIECDE-CQSZACIVSA-N 1 3 268.351 3.328 20 0 CGADHO C(CN1CC[C@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528255 527482285 /nfs/dbraw/zinc/48/22/85/527482285.db2.gz YRQNEQHJTKINNI-ZYGGUILKSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426528255 527482288 /nfs/dbraw/zinc/48/22/88/527482288.db2.gz YRQNEQHJTKINNI-ZYGGUILKSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@H]21)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528255 527482292 /nfs/dbraw/zinc/48/22/92/527482292.db2.gz YRQNEQHJTKINNI-ZYGGUILKSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@H]21)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528255 527482294 /nfs/dbraw/zinc/48/22/94/527482294.db2.gz YRQNEQHJTKINNI-ZYGGUILKSA-N 1 3 262.441 3.125 20 0 CGADHO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391099 527793137 /nfs/dbraw/zinc/79/31/37/527793137.db2.gz PGZFZJDXPWPLHY-IAGOWNOFSA-N 1 3 258.409 3.204 20 0 CGADHO CC1(C)[C@H](NCC2([NH3+])CCC2)C[C@@H]1c1ccccc1 ZINC000423335737 527867552 /nfs/dbraw/zinc/86/75/52/527867552.db2.gz UEEPGGCOXGYMNK-HUUCEWRRSA-N 1 3 258.409 3.040 20 0 CGADHO CC1(C)[C@H](NCC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423369738 527868228 /nfs/dbraw/zinc/86/82/28/527868228.db2.gz TURBXNKEELUGRK-BRWVUGGUSA-N 1 3 272.436 3.300 20 0 CGADHO CCCC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000358307287 528063219 /nfs/dbraw/zinc/06/32/19/528063219.db2.gz WQDLQQLOXLXVJR-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000358307287 528063221 /nfs/dbraw/zinc/06/32/21/528063221.db2.gz WQDLQQLOXLXVJR-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000358307287 528063222 /nfs/dbraw/zinc/06/32/22/528063222.db2.gz WQDLQQLOXLXVJR-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000359274010 528112271 /nfs/dbraw/zinc/11/22/71/528112271.db2.gz AEMHLVLQXOACOS-YOEHRIQHSA-N 1 3 260.425 3.241 20 0 CGADHO CCN[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423386975 528421972 /nfs/dbraw/zinc/42/19/72/528421972.db2.gz SFTKEZFLVREWRE-JHJVBQTASA-N 1 3 291.464 3.376 20 0 CGADHO CCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414806268 528457636 /nfs/dbraw/zinc/45/76/36/528457636.db2.gz HNIIWXDIIKTWOP-CQSZACIVSA-N 1 3 284.403 3.395 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268987 528532668 /nfs/dbraw/zinc/53/26/68/528532668.db2.gz GSSCRCZCPDNLCE-KSSFIOAISA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423269421 528535490 /nfs/dbraw/zinc/53/54/90/528535490.db2.gz HDCCCOHVFPLVSH-GJZGRUSLSA-N 1 3 270.367 3.235 20 0 CGADHO CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367620914 528732274 /nfs/dbraw/zinc/73/22/74/528732274.db2.gz ZBKMPYCNSBMCRG-BBWFWOEESA-N 1 3 288.435 3.048 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1c(F)cccc1F ZINC000423291376 528950080 /nfs/dbraw/zinc/95/00/80/528950080.db2.gz IBGATCOTOGGJGZ-LBPRGKRZSA-N 1 3 284.394 3.393 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423290162 528954940 /nfs/dbraw/zinc/95/49/40/528954940.db2.gz ZHGSVGIECPZQLL-INIZCTEOSA-N 1 3 276.424 3.180 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423287154 528955903 /nfs/dbraw/zinc/95/59/03/528955903.db2.gz KQCAFCZGMWWVGA-IAQYHMDHSA-N 1 3 264.388 3.166 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423388254 528988190 /nfs/dbraw/zinc/98/81/90/528988190.db2.gz IKXUAIIBOCOLDT-RYQLBKOJSA-N 1 3 274.452 3.231 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccsc1 ZINC000425952825 529010498 /nfs/dbraw/zinc/01/04/98/529010498.db2.gz ULHMUERKVPADEQ-GXTWGEPZSA-N 1 3 254.443 3.377 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1cccc(Br)c1 ZINC000423458733 529173132 /nfs/dbraw/zinc/17/31/32/529173132.db2.gz HDALFFALVWNARO-QWHCGFSZSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423252358 529169159 /nfs/dbraw/zinc/16/91/59/529169159.db2.gz UAJPJFASEUFTHG-IAQYHMDHSA-N 1 3 268.351 3.005 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1cccc(Br)c1 ZINC000423280378 529173212 /nfs/dbraw/zinc/17/32/12/529173212.db2.gz UATVBXWAFWPKJR-ZIAGYGMSSA-N 1 3 299.256 3.473 20 0 CGADHO CCSc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423299680 529246973 /nfs/dbraw/zinc/24/69/73/529246973.db2.gz QKKVEXCZVUTQTE-VXGBXAGGSA-N 1 3 252.427 3.044 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC12CCCC2)CN1CCCC1 ZINC000477936177 535154542 /nfs/dbraw/zinc/15/45/42/535154542.db2.gz LBHXSXATGSLTIC-HNNXBMFYSA-N 1 3 264.457 3.421 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OC ZINC000037648807 535912739 /nfs/dbraw/zinc/91/27/39/535912739.db2.gz INMSNIOKZLJYLC-PBHICJAKSA-N 1 3 288.435 3.220 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000480757375 536797308 /nfs/dbraw/zinc/79/73/08/536797308.db2.gz BNOYHDPVAZURDC-INIZCTEOSA-N 1 3 292.467 3.429 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000480757375 536797315 /nfs/dbraw/zinc/79/73/15/536797315.db2.gz BNOYHDPVAZURDC-INIZCTEOSA-N 1 3 292.467 3.429 20 0 CGADHO C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000261578983 618088765 /nfs/dbraw/zinc/08/87/65/618088765.db2.gz PHHRTSMIRWTPSB-ILXRZTDVSA-N 1 3 252.446 3.181 20 0 CGADHO c1cc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)cs1 ZINC000925528637 619025990 /nfs/dbraw/zinc/02/59/90/619025990.db2.gz UDTWTJXYDTZBHF-CVEARBPZSA-N 1 3 278.465 3.049 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC1CCC(F)(F)CC1)c1ccccc1 ZINC000925631060 619097755 /nfs/dbraw/zinc/09/77/55/619097755.db2.gz UAKYLSQYONRIRZ-SMDDNHRTSA-N 1 3 268.351 3.242 20 0 CGADHO Cc1ccsc1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925632274 619098154 /nfs/dbraw/zinc/09/81/54/619098154.db2.gz VYKNJGLTTATKPC-HOTGVXAUSA-N 1 3 292.492 3.357 20 0 CGADHO Cc1ccsc1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925632269 619098207 /nfs/dbraw/zinc/09/82/07/619098207.db2.gz VYKNJGLTTATKPC-CVEARBPZSA-N 1 3 292.492 3.357 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661901 619116849 /nfs/dbraw/zinc/11/68/49/619116849.db2.gz FEXOJRCKHHBPCQ-GZBFAFLISA-N 1 3 282.378 3.490 20 0 CGADHO CC(C)(CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(F)(F)F ZINC000925666475 619120076 /nfs/dbraw/zinc/12/00/76/619120076.db2.gz PRRALYWREAATGI-OLZOCXBDSA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C(F)(F)F ZINC000925666475 619120077 /nfs/dbraw/zinc/12/00/77/619120077.db2.gz PRRALYWREAATGI-OLZOCXBDSA-N 1 3 292.389 3.333 20 0 CGADHO CC(F)(F)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925735682 619209808 /nfs/dbraw/zinc/20/98/08/619209808.db2.gz WPFZDRPTEKRCJO-GRYCIOLGSA-N 1 3 274.399 3.034 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(F)c1 ZINC000925775334 619238281 /nfs/dbraw/zinc/23/82/81/619238281.db2.gz FTXMVISAZSIYEO-OCCSQVGLSA-N 1 3 286.341 3.111 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1C ZINC000925777247 619240241 /nfs/dbraw/zinc/24/02/41/619240241.db2.gz CVCLXYNNOBPSBH-DZGCQCFKSA-N 1 3 282.378 3.199 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC=CCC1 ZINC000925881423 619306645 /nfs/dbraw/zinc/30/66/45/619306645.db2.gz RQBQGOZWZBMSSA-CYBMUJFWSA-N 1 3 273.424 3.246 20 0 CGADHO [O-]c1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000894066408 619363751 /nfs/dbraw/zinc/36/37/51/619363751.db2.gz AQVYGTSZEWFNAL-UHFFFAOYSA-N 1 3 294.826 3.010 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1coc2ccccc12 ZINC000925010199 619489589 /nfs/dbraw/zinc/48/95/89/619489589.db2.gz LGJYDJPTYXZTQE-UONOGXRCSA-N 1 3 272.392 3.425 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010199 619489594 /nfs/dbraw/zinc/48/95/94/619489594.db2.gz LGJYDJPTYXZTQE-UONOGXRCSA-N 1 3 272.392 3.425 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895290242 619796714 /nfs/dbraw/zinc/79/67/14/619796714.db2.gz DODGWWYPMRGDND-MJSCVDMRSA-N 1 3 290.451 3.117 20 0 CGADHO C[C@@H](CC[NH2+]Cc1cc2c(cccc2O)s1)N(C)C ZINC000895290336 619796756 /nfs/dbraw/zinc/79/67/56/619796756.db2.gz GZBQPZGDRNWYAI-NSHDSACASA-N 1 3 278.421 3.037 20 0 CGADHO CCC(CC)(CCO)C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925189220 620222984 /nfs/dbraw/zinc/22/29/84/620222984.db2.gz BDTFBXUSGGWVGH-UHFFFAOYSA-N 1 3 298.515 3.275 20 0 CGADHO Cc1cc(C)c(CNC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000035054343 620290216 /nfs/dbraw/zinc/29/02/16/620290216.db2.gz VFOLAWJYCOYKOF-UHFFFAOYSA-N 1 3 272.436 3.328 20 0 CGADHO CNc1ccc(C)cc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000902077738 621127230 /nfs/dbraw/zinc/12/72/30/621127230.db2.gz HVLYLVSFQJFFLM-UHFFFAOYSA-N 1 3 287.451 3.001 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc3ncccc23)C1 ZINC000902407337 621293134 /nfs/dbraw/zinc/29/31/34/621293134.db2.gz RXEPPRCDAIYCPQ-HNNXBMFYSA-N 1 3 283.419 3.103 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCc3cc(N)ccc32)C1 ZINC000902394896 621303599 /nfs/dbraw/zinc/30/35/99/621303599.db2.gz XPWDRABKSMHWEG-DOTOQJQBSA-N 1 3 287.451 3.014 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)NCC1([NH3+])CC1 ZINC000902415487 621308362 /nfs/dbraw/zinc/30/83/62/621308362.db2.gz GFOQCDDFMYISRR-GFCCVEGCSA-N 1 3 284.856 3.292 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902478424 621327823 /nfs/dbraw/zinc/32/78/23/621327823.db2.gz WSFBVQXZTBFUMS-MDMSPXHWSA-N 1 3 270.420 3.195 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452569 621331260 /nfs/dbraw/zinc/33/12/60/621331260.db2.gz LGZDDZLQHOVKKU-CTWCOEIASA-N 1 3 294.389 3.318 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453318 621331610 /nfs/dbraw/zinc/33/16/10/621331610.db2.gz ADVNUFVGNQHNTD-UONOGXRCSA-N 1 3 274.399 3.309 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCNC3)CC2)cc1 ZINC000902455762 621333750 /nfs/dbraw/zinc/33/37/50/621333750.db2.gz YYBATSJQGQYMRT-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000902516102 621359098 /nfs/dbraw/zinc/35/90/98/621359098.db2.gz BLAOVPSKWZCLMO-ARFHVFGLSA-N 1 3 278.827 3.057 20 0 CGADHO CC1(C)C[C@@H](N[C@@H](c2ccncc2)C2CC2)C[C@@H]([NH3+])C1 ZINC000902515473 621359293 /nfs/dbraw/zinc/35/92/93/621359293.db2.gz VVNVTOWRKSDEBQ-OWCLPIDISA-N 1 3 273.424 3.028 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000902971601 621517458 /nfs/dbraw/zinc/51/74/58/621517458.db2.gz XFONGSPTGAGGCV-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cccc([C@H]2CCN(C[C@]3(C)CCC[NH2+]C3)C2)c1 ZINC000904345557 621910209 /nfs/dbraw/zinc/91/02/09/621910209.db2.gz KCOAGKGCPRMTTB-ZWKOTPCHSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@H]2CC[N@H+](C[C@]3(C)CCCNC3)C2)c1 ZINC000904345557 621910213 /nfs/dbraw/zinc/91/02/13/621910213.db2.gz KCOAGKGCPRMTTB-ZWKOTPCHSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1cccc([C@H]2CC[N@@H+](C[C@]3(C)CCCNC3)C2)c1 ZINC000904345557 621910217 /nfs/dbraw/zinc/91/02/17/621910217.db2.gz KCOAGKGCPRMTTB-ZWKOTPCHSA-N 1 3 272.436 3.174 20 0 CGADHO C[C@H](Cc1cccs1)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904362009 621913226 /nfs/dbraw/zinc/91/32/26/621913226.db2.gz FRKRRVPXZLTOLT-CHWSQXEVSA-N 1 3 268.470 3.422 20 0 CGADHO NC1CC([NH2+]CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000906510566 622241546 /nfs/dbraw/zinc/24/15/46/622241546.db2.gz LVYHXKSCECIFCK-UHFFFAOYSA-N 1 3 294.442 3.167 20 0 CGADHO CCOc1cccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000158168496 623010310 /nfs/dbraw/zinc/01/03/10/623010310.db2.gz ORPFMUOHPRTNEH-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1cccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158168496 623010319 /nfs/dbraw/zinc/01/03/19/623010319.db2.gz ORPFMUOHPRTNEH-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925472103 624423972 /nfs/dbraw/zinc/42/39/72/624423972.db2.gz ABKMXEQTCYHCPX-GJZGRUSLSA-N 1 3 290.838 3.231 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C2CC2)cc1CN1CCCCC1 ZINC000182180746 624948591 /nfs/dbraw/zinc/94/85/91/624948591.db2.gz RSCYDPIHSXBXOZ-AWEZNQCLSA-N 1 3 288.435 3.494 20 0 CGADHO Cc1oc(-c2ccccc2)nc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497676 626158286 /nfs/dbraw/zinc/15/82/86/626158286.db2.gz IVWOSUHOQGDPBL-CJNGLKHVSA-N 1 3 299.418 3.067 20 0 CGADHO Cc1cc(C[NH2+]CC2(CN(C)C)CCCC2)cc(Cl)n1 ZINC000797601400 629968277 /nfs/dbraw/zinc/96/82/77/629968277.db2.gz GKBGYPJECGBXAZ-UHFFFAOYSA-N 1 3 295.858 3.255 20 0 CGADHO CC(C)[NH+]1CCC(CCNCc2cccnc2Cl)CC1 ZINC000865716793 630453017 /nfs/dbraw/zinc/45/30/17/630453017.db2.gz DKONLLRFMHAJBZ-UHFFFAOYSA-N 1 3 295.858 3.335 20 0 CGADHO CO[C@@H](CNC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000815650824 631812543 /nfs/dbraw/zinc/81/25/43/631812543.db2.gz BZJBIVNYISGWDX-SFHVURJKSA-N 1 3 294.483 3.046 20 0 CGADHO CO[C@@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)C1CC1 ZINC000815650824 631812547 /nfs/dbraw/zinc/81/25/47/631812547.db2.gz BZJBIVNYISGWDX-SFHVURJKSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cc(F)cc(F)c1 ZINC000817949507 632245526 /nfs/dbraw/zinc/24/55/26/632245526.db2.gz QNWJGCGLRVYLLS-GFCCVEGCSA-N 1 3 290.357 3.317 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000817962839 632259207 /nfs/dbraw/zinc/25/92/07/632259207.db2.gz LXQSDSYGIVUBTQ-KBPBESRZSA-N 1 3 296.414 3.492 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000817981216 632271837 /nfs/dbraw/zinc/27/18/37/632271837.db2.gz HGTKOTPQLVMONQ-DLBZAZTESA-N 1 3 258.409 3.089 20 0 CGADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817983395 632273021 /nfs/dbraw/zinc/27/30/21/632273021.db2.gz BWHLNXPUBLNFES-IIAWOOMASA-N 1 3 250.430 3.077 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000818616357 632341163 /nfs/dbraw/zinc/34/11/63/632341163.db2.gz VGESBLZLFYRFDS-KCPJHIHWSA-N 1 3 250.361 3.055 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000821372881 632759550 /nfs/dbraw/zinc/75/95/50/632759550.db2.gz AUGFQYFDIQZITK-VSZNYVQBSA-N 1 3 294.483 3.140 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000821372881 632759554 /nfs/dbraw/zinc/75/95/54/632759554.db2.gz AUGFQYFDIQZITK-VSZNYVQBSA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000872025829 633945755 /nfs/dbraw/zinc/94/57/55/633945755.db2.gz UKEOSRQQERUQAK-QWHCGFSZSA-N 1 3 280.378 3.429 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCCOC1 ZINC000872053815 633976527 /nfs/dbraw/zinc/97/65/27/633976527.db2.gz WVMRALJRSNRHQU-KURKYZTESA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)CN1CCCC1 ZINC000872066835 633989985 /nfs/dbraw/zinc/98/99/85/633989985.db2.gz RSKPQGYQTMEXHA-JKSUJKDBSA-N 1 3 296.499 3.292 20 0 CGADHO c1cnc2cccc(CNC3CC[NH+](C4CCC4)CC3)c2c1 ZINC000873025199 634233443 /nfs/dbraw/zinc/23/34/43/634233443.db2.gz IKUPRTSUBUIREV-UHFFFAOYSA-N 1 3 295.430 3.341 20 0 CGADHO c1c(CNC2(c3ccccc3)CC2)sc2c1C[NH2+]CC2 ZINC000873206936 634285927 /nfs/dbraw/zinc/28/59/27/634285927.db2.gz OMUFCDRNALKCCY-UHFFFAOYSA-N 1 3 284.428 3.173 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000873223589 634290710 /nfs/dbraw/zinc/29/07/10/634290710.db2.gz OMZPNUUZPPGURO-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000873223589 634290715 /nfs/dbraw/zinc/29/07/15/634290715.db2.gz OMZPNUUZPPGURO-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(Cl)c2)CCC1 ZINC000873248420 634300068 /nfs/dbraw/zinc/30/00/68/634300068.db2.gz FNFMCHMUSIHHLM-HUUCEWRRSA-N 1 3 278.827 3.231 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(SC(F)F)cc2)C1 ZINC000841056995 635115511 /nfs/dbraw/zinc/11/55/11/635115511.db2.gz GTHHNGVKKQFSIP-NEPJUHHUSA-N 1 3 286.391 3.361 20 0 CGADHO c1ccc2c(c1)cncc2CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841087475 635119714 /nfs/dbraw/zinc/11/97/14/635119714.db2.gz OFOZKAGJPBCRTR-LPHOPBHVSA-N 1 3 295.430 3.199 20 0 CGADHO CN1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744971 635180842 /nfs/dbraw/zinc/18/08/42/635180842.db2.gz YTYZUBYQFLIXDJ-FUHWJXTLSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@H]21 ZINC000877744971 635180846 /nfs/dbraw/zinc/18/08/46/635180846.db2.gz YTYZUBYQFLIXDJ-FUHWJXTLSA-N 1 3 270.420 3.090 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130211625 636433694 /nfs/dbraw/zinc/43/36/94/636433694.db2.gz SLWLGEPBTCFEQE-VNQPRFMTSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130211625 636433699 /nfs/dbraw/zinc/43/36/99/636433699.db2.gz SLWLGEPBTCFEQE-VNQPRFMTSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027065 637372255 /nfs/dbraw/zinc/37/22/55/637372255.db2.gz BWIFGZANRMYVJU-JQHSSLGASA-N 1 3 276.468 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886027065 637372257 /nfs/dbraw/zinc/37/22/57/637372257.db2.gz BWIFGZANRMYVJU-JQHSSLGASA-N 1 3 276.468 3.086 20 0 CGADHO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000886693480 637658822 /nfs/dbraw/zinc/65/88/22/637658822.db2.gz BRRCBKBBWIOVSD-VRKREXBASA-N 1 3 264.457 3.131 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924572033 638366219 /nfs/dbraw/zinc/36/62/19/638366219.db2.gz PZTKNGSQDQHNGH-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000924752386 638400196 /nfs/dbraw/zinc/40/01/96/638400196.db2.gz NHLXWGDDKORSRV-ZFWWWQNUSA-N 1 3 252.446 3.133 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C(C)C ZINC000925525146 638518847 /nfs/dbraw/zinc/51/88/47/638518847.db2.gz AIGDIXPZTKIPGE-RCCFBDPRSA-N 1 3 296.499 3.196 20 0 CGADHO C(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)COC1CCCC1 ZINC000925533219 638521535 /nfs/dbraw/zinc/52/15/35/638521535.db2.gz YZLLCJFYJOAEGM-ROUUACIJSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1cscc1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925659811 638561351 /nfs/dbraw/zinc/56/13/51/638561351.db2.gz NQMSOAWAJCCYLB-OLZOCXBDSA-N 1 3 252.427 3.052 20 0 CGADHO COc1ccc2c(c1)[C@H](NCCC(C)(C)[NH3+])CCCS2 ZINC000925736589 638590098 /nfs/dbraw/zinc/59/00/98/638590098.db2.gz BVZMHVGFMDKTLZ-CQSZACIVSA-N 1 3 294.464 3.339 20 0 CGADHO COCCC[C@H](NCCC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000925738325 638590212 /nfs/dbraw/zinc/59/02/12/638590212.db2.gz QHCWRPIUHVGSRE-HNNXBMFYSA-N 1 3 282.403 3.010 20 0 CGADHO CC(C)([NH3+])CCN[C@@H]1CCc2ccc(Br)cc21 ZINC000925737124 638590482 /nfs/dbraw/zinc/59/04/82/638590482.db2.gz FUSFYSCRLDGIQW-CYBMUJFWSA-N 1 3 297.240 3.153 20 0 CGADHO Cc1cc([C@@H](C)NCCC(C)(C)[NH3+])cc(C)c1F ZINC000925742858 638595047 /nfs/dbraw/zinc/59/50/47/638595047.db2.gz YAPVMVGDMCRWAV-GFCCVEGCSA-N 1 3 252.377 3.221 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCc2cc(Br)ccc21 ZINC000925764262 638601202 /nfs/dbraw/zinc/60/12/02/638601202.db2.gz FRVCONOUPQZNEX-ISTVAULSSA-N 1 3 297.240 3.152 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccsc1 ZINC000925778902 638610948 /nfs/dbraw/zinc/61/09/48/638610948.db2.gz UYPQIIXFYHODHP-RYUDHWBXSA-N 1 3 274.380 3.034 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1C ZINC000925787060 638614915 /nfs/dbraw/zinc/61/49/15/638614915.db2.gz ZEUSDLKDZJPVLW-UONOGXRCSA-N 1 3 282.378 3.199 20 0 CGADHO C[C@@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925840720 638630046 /nfs/dbraw/zinc/63/00/46/638630046.db2.gz WLQWYUSPHZSMAE-DTZQCDIJSA-N 1 3 294.389 3.013 20 0 CGADHO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc([O-])cc(F)c1 ZINC000926305215 638761134 /nfs/dbraw/zinc/76/11/34/638761134.db2.gz AYSPYBOJNBKKPG-LBPRGKRZSA-N 1 3 292.398 3.056 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000926706702 638801762 /nfs/dbraw/zinc/80/17/62/638801762.db2.gz WTKBWDHGQMMBDF-AWEZNQCLSA-N 1 3 274.399 3.132 20 0 CGADHO CCSc1ccccc1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000930557601 639025540 /nfs/dbraw/zinc/02/55/40/639025540.db2.gz GTMQFMLJXCAUBL-QGZVFWFLSA-N 1 3 290.476 3.326 20 0 CGADHO CCSc1ccccc1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000930557601 639025548 /nfs/dbraw/zinc/02/55/48/639025548.db2.gz GTMQFMLJXCAUBL-QGZVFWFLSA-N 1 3 290.476 3.326 20 0 CGADHO C[NH+]1C[C@]2(C)CN(CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316798 639134592 /nfs/dbraw/zinc/13/45/92/639134592.db2.gz KMVPRLCICGTFJG-RRFJBIMHSA-N 1 3 286.410 3.086 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000931751905 639199914 /nfs/dbraw/zinc/19/99/14/639199914.db2.gz DSMQVXYXWANWKE-QDMKHBRRSA-N 1 3 298.421 3.228 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000931751632 639199993 /nfs/dbraw/zinc/19/99/93/639199993.db2.gz CLIFPSBTKCBIRM-FVQHAEBGSA-N 1 3 294.483 3.140 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1C ZINC000932569797 639358533 /nfs/dbraw/zinc/35/85/33/639358533.db2.gz GJYUIZCRICTYOG-GOEBONIOSA-N 1 3 276.424 3.139 20 0 CGADHO CN1CCC[C@@H]([NH+]2CCC3(CCCC3)CC2)CC1 ZINC001254519683 806435847 /nfs/dbraw/zinc/43/58/47/806435847.db2.gz JVMVFVBMQWJFMK-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO C[C@@H]1CCCCN1c1cccc(NCCCC[NH+](C)C)n1 ZINC001161728834 806439239 /nfs/dbraw/zinc/43/92/39/806439239.db2.gz YKCVUTXUWWOFED-OAHLLOKOSA-N 1 3 290.455 3.214 20 0 CGADHO CCN(Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254529511 806442002 /nfs/dbraw/zinc/44/20/02/806442002.db2.gz NBIYEIQWXWNRMC-MRXNPFEDSA-N 1 3 264.388 3.132 20 0 CGADHO CCN(Cc1cccc(F)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254529511 806442006 /nfs/dbraw/zinc/44/20/06/806442006.db2.gz NBIYEIQWXWNRMC-MRXNPFEDSA-N 1 3 264.388 3.132 20 0 CGADHO NCCC[N@H+](C1Cc2ccccc2C1)C1CCCCC1 ZINC001255012353 806524722 /nfs/dbraw/zinc/52/47/22/806524722.db2.gz YAVXZCUXGPKFQD-UHFFFAOYSA-N 1 3 272.436 3.137 20 0 CGADHO NCCC[N@@H+](C1Cc2ccccc2C1)C1CCCCC1 ZINC001255012353 806524727 /nfs/dbraw/zinc/52/47/27/806524727.db2.gz YAVXZCUXGPKFQD-UHFFFAOYSA-N 1 3 272.436 3.137 20 0 CGADHO C[C@@H]1CCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255397317 806632317 /nfs/dbraw/zinc/63/23/17/806632317.db2.gz FEJVSPSTPHXXBM-WBVHZDCISA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255397317 806632322 /nfs/dbraw/zinc/63/23/22/806632322.db2.gz FEJVSPSTPHXXBM-WBVHZDCISA-N 1 3 258.409 3.135 20 0 CGADHO COc1ccc2cc(CN3C[C@@H](C[NH3+])CC[C@@H]3C)ccc2c1 ZINC000387250879 799443999 /nfs/dbraw/zinc/44/39/99/799443999.db2.gz LYLMKVFEEFGCSW-GOEBONIOSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@@H]([N@H+](C)Cc1cc2c(s1)CCNC2)C(C)(C)C ZINC000687978169 799743257 /nfs/dbraw/zinc/74/32/57/799743257.db2.gz KBXLWKXYHIHBJY-LLVKDONJSA-N 1 3 266.454 3.260 20 0 CGADHO C[C@@H]([N@@H+](C)Cc1cc2c(s1)CCNC2)C(C)(C)C ZINC000687978169 799743262 /nfs/dbraw/zinc/74/32/62/799743262.db2.gz KBXLWKXYHIHBJY-LLVKDONJSA-N 1 3 266.454 3.260 20 0 CGADHO CCN(Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688008349 799743693 /nfs/dbraw/zinc/74/36/93/799743693.db2.gz VNCHEMSNVOEOCV-UHFFFAOYSA-N 1 3 292.473 3.477 20 0 CGADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647972 799830567 /nfs/dbraw/zinc/83/05/67/799830567.db2.gz KRWGFYWGUYKCCH-GOEBONIOSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647972 799830571 /nfs/dbraw/zinc/83/05/71/799830571.db2.gz KRWGFYWGUYKCCH-GOEBONIOSA-N 1 3 292.854 3.258 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)COc1ccccc1C ZINC001255942850 806791645 /nfs/dbraw/zinc/79/16/45/806791645.db2.gz BPIWQNKXBOWBLL-SJORKVTESA-N 1 3 292.467 3.472 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255943803 806791795 /nfs/dbraw/zinc/79/17/95/806791795.db2.gz PVQHBTIBEDSSOA-LSDHHAIUSA-N 1 3 280.431 3.467 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1cccc(OC)c1 ZINC001255942458 806791813 /nfs/dbraw/zinc/79/18/13/806791813.db2.gz GZTQNUJLEDITIB-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)c1ccc(N)cc1 ZINC001255948459 806793909 /nfs/dbraw/zinc/79/39/09/806793909.db2.gz LPCZOENXBBLHFP-KBPBESRZSA-N 1 3 263.429 3.040 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)COc1ccccc1 ZINC001255951077 806795263 /nfs/dbraw/zinc/79/52/63/806795263.db2.gz MXIPVLYFGVPFPA-JKSUJKDBSA-N 1 3 278.440 3.164 20 0 CGADHO CC1(C)CCC[C@H]([N@@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000709791711 800018706 /nfs/dbraw/zinc/01/87/06/800018706.db2.gz VPIFXMDASZNWIU-HOCLYGCPSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)CCC[C@H]([N@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000709791711 800018713 /nfs/dbraw/zinc/01/87/13/800018713.db2.gz VPIFXMDASZNWIU-HOCLYGCPSA-N 1 3 250.430 3.031 20 0 CGADHO CCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709808076 800019275 /nfs/dbraw/zinc/01/92/75/800019275.db2.gz JUAZHHVRDWYREP-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709808076 800019282 /nfs/dbraw/zinc/01/92/82/800019282.db2.gz JUAZHHVRDWYREP-JKSUJKDBSA-N 1 3 252.446 3.421 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2cc(C)ccn2)CC1 ZINC001255953957 806797013 /nfs/dbraw/zinc/79/70/13/806797013.db2.gz XLJDKWQSRXZPHL-MRXNPFEDSA-N 1 3 289.467 3.132 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)c1ccc(F)cn1 ZINC001255954346 806797129 /nfs/dbraw/zinc/79/71/29/806797129.db2.gz UYRPWXHOQKJSOY-CQSZACIVSA-N 1 3 295.446 3.208 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000715253388 800132274 /nfs/dbraw/zinc/13/22/74/800132274.db2.gz BONJWNHSRIRUQE-RRFJBIMHSA-N 1 3 250.430 3.172 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(Cl)c(Cl)c2)C12CCC2 ZINC000716317855 800168957 /nfs/dbraw/zinc/16/89/57/800168957.db2.gz CGUITRDDMZCVQA-KGLIPLIRSA-N 1 3 299.245 3.395 20 0 CGADHO C[C@H]1C[C@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C[C@@H](C)C1 ZINC000721501280 800290118 /nfs/dbraw/zinc/29/01/18/800290118.db2.gz GQLDOCLWUUBRHZ-IDCJVQTKSA-N 1 3 272.436 3.197 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925512282 800630734 /nfs/dbraw/zinc/63/07/34/800630734.db2.gz BVNXUFUYXKGOFF-LSDHHAIUSA-N 1 3 290.838 3.231 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2ccccn2)CC1 ZINC001256406015 806884568 /nfs/dbraw/zinc/88/45/68/806884568.db2.gz RJWOLJGDEOBKJB-HNNXBMFYSA-N 1 3 289.467 3.255 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC001256406015 806884574 /nfs/dbraw/zinc/88/45/74/806884574.db2.gz RJWOLJGDEOBKJB-HNNXBMFYSA-N 1 3 289.467 3.255 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC001256553131 806914704 /nfs/dbraw/zinc/91/47/04/806914704.db2.gz FESRJZQQIHBKSB-UHFFFAOYSA-N 1 3 278.415 3.221 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC2(Cc3cccnc3)CC2)CC1 ZINC001256567844 806917650 /nfs/dbraw/zinc/91/76/50/806917650.db2.gz ZYVAVHMADNUMEX-UHFFFAOYSA-N 1 3 287.451 3.009 20 0 CGADHO C([NH2+]C1CCC(N2CCOCC2)CC1)C1CCCCCC1 ZINC001256686978 806948528 /nfs/dbraw/zinc/94/85/28/806948528.db2.gz YNQFDVLMUUAYKO-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)OCC[C@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172444326 808319595 /nfs/dbraw/zinc/31/95/95/808319595.db2.gz VJPZKWVNIJIIIB-HNNXBMFYSA-N 1 3 282.472 3.187 20 0 CGADHO CCCN1C[C@H]2C[NH+](C3CCC(CC)CC3)C[C@@H]2C1 ZINC001256876233 806998870 /nfs/dbraw/zinc/99/88/70/806998870.db2.gz JXPBMGAWDYZDTJ-YZUHTNEWSA-N 1 3 264.457 3.229 20 0 CGADHO Cc1csc(CN(C)CC2CC[NH+](C)CC2)c1Cl ZINC001137291615 803710042 /nfs/dbraw/zinc/71/00/42/803710042.db2.gz ZXTRTXZJPYHKBY-UHFFFAOYSA-N 1 3 286.872 3.484 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cc(C)c(OC)c(C)c1 ZINC001138429010 803932845 /nfs/dbraw/zinc/93/28/45/803932845.db2.gz BNSLZVPKMVVAAO-UHFFFAOYSA-N 1 3 292.467 3.476 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246066528 804106985 /nfs/dbraw/zinc/10/69/85/804106985.db2.gz RJCQSJZJZZFUQD-JKSUJKDBSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1ccc(C)c(CCN[C@@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246072209 804110603 /nfs/dbraw/zinc/11/06/03/804110603.db2.gz HCSDBCVKMQBFPV-MSOLQXFVSA-N 1 3 274.452 3.212 20 0 CGADHO C[C@]1([NH2+]C2CCC3(CCCCC3)CC2)CCNC1 ZINC001246092417 804124101 /nfs/dbraw/zinc/12/41/01/804124101.db2.gz CCCSCLIIZOMOFO-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@H]1CNC[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246117975 804149877 /nfs/dbraw/zinc/14/98/77/804149877.db2.gz UUWFQSZIPXSYHF-KKUMJFAQSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NC[C@H]1CCCC[NH2+]C1 ZINC001246118596 804151421 /nfs/dbraw/zinc/15/14/21/804151421.db2.gz SQQBBJWZZWONRG-KBPBESRZSA-N 1 3 296.455 3.286 20 0 CGADHO C1[C@@H]2CNC[C@H]1[C@H]2[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246148318 804168386 /nfs/dbraw/zinc/16/83/86/804168386.db2.gz LWUCPGVZQRUOQO-FOLVSLTJSA-N 1 3 262.441 3.077 20 0 CGADHO CCc1ccc(CCN[C@@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246158874 804175872 /nfs/dbraw/zinc/17/58/72/804175872.db2.gz NDGPOVNQLIOAET-QZTJIDSGSA-N 1 3 274.452 3.158 20 0 CGADHO CCCC[C@@H]1C[C@H](N[C@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246211113 804208081 /nfs/dbraw/zinc/20/80/81/804208081.db2.gz LVXWEZCHVYNMFU-BDXSIMOUSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246229702 804221959 /nfs/dbraw/zinc/22/19/59/804221959.db2.gz LMNANBSZDHNKPK-YESZJQIVSA-N 1 3 296.499 3.074 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246237010 804228839 /nfs/dbraw/zinc/22/88/39/804228839.db2.gz FRFUHUVGMGFENA-SWLSCSKDSA-N 1 3 278.827 3.102 20 0 CGADHO C[C@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246237010 804228847 /nfs/dbraw/zinc/22/88/47/804228847.db2.gz FRFUHUVGMGFENA-SWLSCSKDSA-N 1 3 278.827 3.102 20 0 CGADHO CC1(C)C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246241050 804233773 /nfs/dbraw/zinc/23/37/73/804233773.db2.gz VVBYIBJXEPIYJR-HNNXBMFYSA-N 1 3 292.854 3.492 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246241050 804233781 /nfs/dbraw/zinc/23/37/81/804233781.db2.gz VVBYIBJXEPIYJR-HNNXBMFYSA-N 1 3 292.854 3.492 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)CCN1 ZINC001246258391 804242955 /nfs/dbraw/zinc/24/29/55/804242955.db2.gz XBAWRFLZCSKPSA-OVYGPGRDSA-N 1 3 264.457 3.466 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246277331 804253071 /nfs/dbraw/zinc/25/30/71/804253071.db2.gz HZXJREYADSLBKD-GLQYFDAESA-N 1 3 299.245 3.320 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246279168 804255259 /nfs/dbraw/zinc/25/52/59/804255259.db2.gz NWKTXBOBTHFGPI-CZUORRHYSA-N 1 3 296.405 3.264 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCC2(C)C)CCN1 ZINC001246285089 804257625 /nfs/dbraw/zinc/25/76/25/804257625.db2.gz FZHYXLNSCPGYPV-IHRRRGAJSA-N 1 3 252.446 3.321 20 0 CGADHO CCCCC[C@@H](CC)[NH2+]C1(CC(=O)OCC)CCNCC1 ZINC001246326085 804282892 /nfs/dbraw/zinc/28/28/92/804282892.db2.gz MXIVKPQWNPCTSS-OAHLLOKOSA-N 1 3 298.471 3.010 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246330410 804286122 /nfs/dbraw/zinc/28/61/22/804286122.db2.gz ZFIMZZMQAFELIL-CVEARBPZSA-N 1 3 296.405 3.408 20 0 CGADHO CCCCC1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246340491 804292221 /nfs/dbraw/zinc/29/22/21/804292221.db2.gz HXRAKYVHOXDNOR-SLTXQBBLSA-N 1 3 252.446 3.466 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246343000 804294009 /nfs/dbraw/zinc/29/40/09/804294009.db2.gz DJTGBDGBJPSJRV-HIFRSBDPSA-N 1 3 280.481 3.439 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC001246345496 804295647 /nfs/dbraw/zinc/29/56/47/804295647.db2.gz BLOUYINMZCOKBY-KFWWJZLASA-N 1 3 252.446 3.466 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCc2ccccc2N1 ZINC001246355655 804300882 /nfs/dbraw/zinc/30/08/82/804300882.db2.gz YYUKGXAGCUCNOF-WBVHZDCISA-N 1 3 289.467 3.123 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCNCC1(C)C ZINC001246375557 804309793 /nfs/dbraw/zinc/30/97/93/804309793.db2.gz JMXQLWCSMRSHPH-HNNXBMFYSA-N 1 3 254.462 3.425 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCNCC1(C)C ZINC001246378519 804312053 /nfs/dbraw/zinc/31/20/53/804312053.db2.gz WIFMVPYUVKUFTB-NHYWBVRUSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@H]1CC[NH2+]CC1(C)C ZINC001246378519 804312063 /nfs/dbraw/zinc/31/20/63/804312063.db2.gz WIFMVPYUVKUFTB-NHYWBVRUSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H]1CC([NH2+]C2(Cc3ccc(F)cc3)CCC2)C[C@H](C)N1 ZINC001246386063 804315785 /nfs/dbraw/zinc/31/57/85/804315785.db2.gz DCBJIGDPPLCGAJ-KBPBESRZSA-N 1 3 290.426 3.410 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246395350 804320604 /nfs/dbraw/zinc/32/06/04/804320604.db2.gz VFQQLQWYMUFCFF-CJNGLKHVSA-N 1 3 276.399 3.021 20 0 CGADHO CC(C)(Cc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246414128 804325676 /nfs/dbraw/zinc/32/56/76/804325676.db2.gz ZISGRANPCWWGEY-XYPWUTKMSA-N 1 3 276.399 3.019 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246419244 804327150 /nfs/dbraw/zinc/32/71/50/804327150.db2.gz FWPLIITVSOIUHT-CHWSQXEVSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246432530 804329301 /nfs/dbraw/zinc/32/93/01/804329301.db2.gz NKGUPKHKAAAPNY-CZUORRHYSA-N 1 3 278.415 3.125 20 0 CGADHO Fc1ccccc1CC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246439665 804333930 /nfs/dbraw/zinc/33/39/30/804333930.db2.gz PNGAYAUMGDBLCM-XYPWUTKMSA-N 1 3 288.410 3.021 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444775 804334874 /nfs/dbraw/zinc/33/48/74/804334874.db2.gz BLRQDXLTMDGHLA-UKRRQHHQSA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(CC)cc2)CCN1 ZINC001246454653 804336504 /nfs/dbraw/zinc/33/65/04/804336504.db2.gz FVHDKPRZMBYNDY-YJBOKZPZSA-N 1 3 274.452 3.302 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246452691 804336930 /nfs/dbraw/zinc/33/69/30/804336930.db2.gz LTICBXBUOVAPJC-XMTFNYHQSA-N 1 3 290.426 3.192 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246458647 804339972 /nfs/dbraw/zinc/33/99/72/804339972.db2.gz AJFLYEGELCWSLP-JHJVBQTASA-N 1 3 299.245 3.191 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246458647 804339981 /nfs/dbraw/zinc/33/99/81/804339981.db2.gz AJFLYEGELCWSLP-JHJVBQTASA-N 1 3 299.245 3.191 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246460280 804342951 /nfs/dbraw/zinc/34/29/51/804342951.db2.gz FNIJLYUGOUFIPO-IXDOHACOSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)P(CC[NH2+][C@H]1CC[C@H](C)NC1)C(C)C ZINC001246470654 804347512 /nfs/dbraw/zinc/34/75/12/804347512.db2.gz QQGOOLWSVPYDJP-KBPBESRZSA-N 1 3 258.390 3.015 20 0 CGADHO CCC(C)(C)C1CCC(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)CC1 ZINC001246473867 804350813 /nfs/dbraw/zinc/35/08/13/804350813.db2.gz KXIKMDARVDGHQC-PYVGIJRLSA-N 1 3 276.468 3.345 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@H]2CCNCC23CC3)CC1 ZINC001246475785 804352433 /nfs/dbraw/zinc/35/24/33/804352433.db2.gz WYDQURNOMPRRGI-NRXISQOPSA-N 1 3 264.457 3.323 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](CC)C1)C1CCCCC1 ZINC001246491063 804359666 /nfs/dbraw/zinc/35/96/66/804359666.db2.gz SJSDTUOMBXNIEQ-JYJNAYRXSA-N 1 3 252.446 3.466 20 0 CGADHO CCC[C@@H](CCc1ccccc1)NC12CC([NH3+])(C1)C2 ZINC001246504282 804363640 /nfs/dbraw/zinc/36/36/40/804363640.db2.gz PIDVVZHPIHUJMU-GTPINHCMSA-N 1 3 258.409 3.011 20 0 CGADHO [NH3+]C1(CN[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC001246513035 804367707 /nfs/dbraw/zinc/36/77/07/804367707.db2.gz UVRGCNMHJBZABJ-LBPRGKRZSA-N 1 3 299.245 3.322 20 0 CGADHO CCCCCC[C@H](CC)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246515238 804369972 /nfs/dbraw/zinc/36/99/72/804369972.db2.gz KVAIXZNHBWWKJE-HOTGVXAUSA-N 1 3 252.446 3.323 20 0 CGADHO C1CC1[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)C1CNC1 ZINC001246519361 804372986 /nfs/dbraw/zinc/37/29/86/804372986.db2.gz RZPUSCSYQKKFJW-QGZVFWFLSA-N 1 3 276.468 3.467 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521231 804375825 /nfs/dbraw/zinc/37/58/25/804375825.db2.gz YHXHADOSRDQKLD-ZBFHGGJFSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521231 804375834 /nfs/dbraw/zinc/37/58/34/804375834.db2.gz YHXHADOSRDQKLD-ZBFHGGJFSA-N 1 3 260.425 3.428 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246526140 804379662 /nfs/dbraw/zinc/37/96/62/804379662.db2.gz MHCDJAXJQGHOFL-QXSJWSMHSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246526140 804379667 /nfs/dbraw/zinc/37/96/67/804379667.db2.gz MHCDJAXJQGHOFL-QXSJWSMHSA-N 1 3 250.430 3.029 20 0 CGADHO CCCCC[C@@H](CC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557014 804406978 /nfs/dbraw/zinc/40/69/78/804406978.db2.gz KJJUMQZQFQSWAX-CHWSQXEVSA-N 1 3 262.388 3.261 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542319 804390059 /nfs/dbraw/zinc/39/00/59/804390059.db2.gz OKHMABMCFLNXBS-CGTJXYLNSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542319 804390065 /nfs/dbraw/zinc/39/00/65/804390065.db2.gz OKHMABMCFLNXBS-CGTJXYLNSA-N 1 3 274.452 3.170 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001246548046 804398849 /nfs/dbraw/zinc/39/88/49/804398849.db2.gz FGFSLIJIHZTBIF-HZPDHXFCSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@]1([NH3+])CCCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553401 804402989 /nfs/dbraw/zinc/40/29/89/804402989.db2.gz RMJYCMDFSZIAFX-YOEHRIQHSA-N 1 3 292.854 3.401 20 0 CGADHO CC[C@@H]1CC([N@@H+]2CCCC[C@@H](C)C2)C[C@@H](CC)N1 ZINC001246554944 804403967 /nfs/dbraw/zinc/40/39/67/804403967.db2.gz CZXWODVEVOEIEM-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC([N@H+]2CCCC[C@@H](C)C2)C[C@@H](CC)N1 ZINC001246554944 804403971 /nfs/dbraw/zinc/40/39/71/804403971.db2.gz CZXWODVEVOEIEM-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)CN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246556811 804405814 /nfs/dbraw/zinc/40/58/14/804405814.db2.gz DQGRKNJFALQWOX-JWTNVVGKSA-N 1 3 272.436 3.428 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246586310 804430113 /nfs/dbraw/zinc/43/01/13/804430113.db2.gz MUKUYCDJYDJWLQ-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246586310 804430118 /nfs/dbraw/zinc/43/01/18/804430118.db2.gz MUKUYCDJYDJWLQ-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246588435 804432499 /nfs/dbraw/zinc/43/24/99/804432499.db2.gz ZFTWZPNZFASABZ-YOEHRIQHSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246588435 804432500 /nfs/dbraw/zinc/43/25/00/804432500.db2.gz ZFTWZPNZFASABZ-YOEHRIQHSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246591202 804433423 /nfs/dbraw/zinc/43/34/23/804433423.db2.gz MVEBIYSEVWHULG-PBFPGSCMSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246591202 804433426 /nfs/dbraw/zinc/43/34/26/804433426.db2.gz MVEBIYSEVWHULG-PBFPGSCMSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1C[C@H](C[NH3+])CC[C@H]1C ZINC001246592388 804433959 /nfs/dbraw/zinc/43/39/59/804433959.db2.gz QLKHEVFAYSSLMK-MCIONIFRSA-N 1 3 280.843 3.330 20 0 CGADHO CC[C@@H]1CC[C@H]([N@H+](C(C)C)[C@H]2CCCNCC2)C1 ZINC001246595120 804437201 /nfs/dbraw/zinc/43/72/01/804437201.db2.gz RHRKRGALJQFDIM-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC[C@H]([N@@H+](C(C)C)[C@H]2CCCNCC2)C1 ZINC001246595120 804437203 /nfs/dbraw/zinc/43/72/03/804437203.db2.gz RHRKRGALJQFDIM-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC[C@H]([N@H+](C(C)C)[C@@H]2CCCNCC2)C1 ZINC001246595113 804437578 /nfs/dbraw/zinc/43/75/78/804437578.db2.gz RHRKRGALJQFDIM-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1CC[C@H]([N@@H+](C(C)C)[C@@H]2CCCNCC2)C1 ZINC001246595113 804437580 /nfs/dbraw/zinc/43/75/80/804437580.db2.gz RHRKRGALJQFDIM-OAGGEKHMSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246609782 804444664 /nfs/dbraw/zinc/44/46/64/804444664.db2.gz NLZHAUWYZBHQQM-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CCC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246609782 804444667 /nfs/dbraw/zinc/44/46/67/804444667.db2.gz NLZHAUWYZBHQQM-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1C[C@H](N2CCC[C@@]3(CCC[NH2+]3)C2)C[C@@H](C)C1 ZINC001246618301 804451184 /nfs/dbraw/zinc/45/11/84/804451184.db2.gz JSLJFMUXBMDNBS-JJXSEGSLSA-N 1 3 250.430 3.029 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246618425 804451662 /nfs/dbraw/zinc/45/16/62/804451662.db2.gz FNBGNILBCIRMAK-DZGCQCFKSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246618425 804451666 /nfs/dbraw/zinc/45/16/66/804451666.db2.gz FNBGNILBCIRMAK-DZGCQCFKSA-N 1 3 270.486 3.125 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3CC[C@H]4CNCC[C@H]43)CC2)cc1 ZINC001246618643 804454082 /nfs/dbraw/zinc/45/40/82/804454082.db2.gz IFBMPONDXJXFRY-ZUPWUQBJSA-N 1 3 298.474 3.472 20 0 CGADHO c1ccc(CC2CCC([N@H+]3CC[C@H]4CNCC[C@H]43)CC2)cc1 ZINC001246618643 804454085 /nfs/dbraw/zinc/45/40/85/804454085.db2.gz IFBMPONDXJXFRY-ZUPWUQBJSA-N 1 3 298.474 3.472 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246627149 804459444 /nfs/dbraw/zinc/45/94/44/804459444.db2.gz ZLWOJJJBLNTEIC-DLBZAZTESA-N 1 3 282.472 3.046 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@@]2(CCCNC2)C1 ZINC001246627149 804459449 /nfs/dbraw/zinc/45/94/49/804459449.db2.gz ZLWOJJJBLNTEIC-DLBZAZTESA-N 1 3 282.472 3.046 20 0 CGADHO CCCC1CCC(N2CCOC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001246636017 804465813 /nfs/dbraw/zinc/46/58/13/804465813.db2.gz KAJUUBNUIRMCEU-ABHNRTSZSA-N 1 3 294.483 3.047 20 0 CGADHO CCCC1CCC([N@@H+]2CCOC[C@]3(CCCNC3)C2)CC1 ZINC001246636017 804465815 /nfs/dbraw/zinc/46/58/15/804465815.db2.gz KAJUUBNUIRMCEU-ABHNRTSZSA-N 1 3 294.483 3.047 20 0 CGADHO CCCC1CCC([N@H+]2CCOC[C@]3(CCCNC3)C2)CC1 ZINC001246636017 804465818 /nfs/dbraw/zinc/46/58/18/804465818.db2.gz KAJUUBNUIRMCEU-ABHNRTSZSA-N 1 3 294.483 3.047 20 0 CGADHO C[C@H]1CC(N2CCCC[C@@]23CC[NH2+]C3)C[C@H](C)C1 ZINC001246641761 804468957 /nfs/dbraw/zinc/46/89/57/804468957.db2.gz FLQGRPIPABXJBQ-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC13CCNCC3)CC2 ZINC001246644037 804470849 /nfs/dbraw/zinc/47/08/49/804470849.db2.gz ITDWYUZLMOTBRG-SFHVURJKSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC13CCNCC3)CC2 ZINC001246644037 804470852 /nfs/dbraw/zinc/47/08/52/804470852.db2.gz ITDWYUZLMOTBRG-SFHVURJKSA-N 1 3 284.447 3.070 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246654688 804481085 /nfs/dbraw/zinc/48/10/85/804481085.db2.gz KSAFTKIERLMSSK-OKZBNKHCSA-N 1 3 272.436 3.067 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660452 804483402 /nfs/dbraw/zinc/48/34/02/804483402.db2.gz UGRKFDSBGJDEFN-FPCVCCKLSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660452 804483405 /nfs/dbraw/zinc/48/34/05/804483405.db2.gz UGRKFDSBGJDEFN-FPCVCCKLSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246661856 804485127 /nfs/dbraw/zinc/48/51/27/804485127.db2.gz MHCDJAXJQGHOFL-XUWVNRHRSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)CCN1 ZINC001246661856 804485129 /nfs/dbraw/zinc/48/51/29/804485129.db2.gz MHCDJAXJQGHOFL-XUWVNRHRSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccccc2)C[C@H](C)N1 ZINC001246775989 804506511 /nfs/dbraw/zinc/50/65/11/804506511.db2.gz MARUKAPKNDAXHY-SCAQPMJSSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)C[C@H](C)N1 ZINC001246775989 804506518 /nfs/dbraw/zinc/50/65/18/804506518.db2.gz MARUKAPKNDAXHY-SCAQPMJSSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCCc2ccccc2)C[C@H](C)[NH2+]1 ZINC001246775989 804506524 /nfs/dbraw/zinc/50/65/24/804506524.db2.gz MARUKAPKNDAXHY-SCAQPMJSSA-N 1 3 260.425 3.080 20 0 CGADHO COc1ccc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246780892 804507628 /nfs/dbraw/zinc/50/76/28/804507628.db2.gz MPIFCHULMNGESV-IXEWLPCDSA-N 1 3 286.419 3.115 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246781101 804508286 /nfs/dbraw/zinc/50/82/86/804508286.db2.gz FMZXLVXLNIPTQX-RTBURBONSA-N 1 3 286.463 3.398 20 0 CGADHO C[N@H+]([C@H]1CCNC(C)(C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783265 804510180 /nfs/dbraw/zinc/51/01/80/804510180.db2.gz OLDYDQXSEXNHEQ-KUNBBXKYSA-N 1 3 276.468 3.418 20 0 CGADHO C[N@@H+]([C@H]1CCNC(C)(C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246783265 804510184 /nfs/dbraw/zinc/51/01/84/804510184.db2.gz OLDYDQXSEXNHEQ-KUNBBXKYSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246789307 804514402 /nfs/dbraw/zinc/51/44/02/804514402.db2.gz UUNUSAFUIQNQMI-DYVFJYSZSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)CCN1 ZINC001246789307 804514407 /nfs/dbraw/zinc/51/44/07/804514407.db2.gz UUNUSAFUIQNQMI-DYVFJYSZSA-N 1 3 276.399 3.146 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1CCCC2(CNC2)C1 ZINC001246793197 804515358 /nfs/dbraw/zinc/51/53/58/804515358.db2.gz TUPQLQGSFVDKAO-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1CCCC2(CNC2)C1 ZINC001246793197 804515360 /nfs/dbraw/zinc/51/53/60/804515360.db2.gz TUPQLQGSFVDKAO-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO c1ccc(C[C@@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791495 804516108 /nfs/dbraw/zinc/51/61/08/804516108.db2.gz JWWQRMSYILSYDN-INDMIFKZSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791495 804516115 /nfs/dbraw/zinc/51/61/15/804516115.db2.gz JWWQRMSYILSYDN-INDMIFKZSA-N 1 3 284.447 3.224 20 0 CGADHO COc1ccccc1[C@@H]1CCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246794119 804517179 /nfs/dbraw/zinc/51/71/79/804517179.db2.gz ZAVKTAWEFYJFNM-HOCLYGCPSA-N 1 3 288.435 3.363 20 0 CGADHO CC[N@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CCNCC1 ZINC001246796022 804520118 /nfs/dbraw/zinc/52/01/18/804520118.db2.gz DWQUXKPELMUXSO-GFCCVEGCSA-N 1 3 298.833 3.484 20 0 CGADHO CC[N@@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CCNCC1 ZINC001246796022 804520122 /nfs/dbraw/zinc/52/01/22/804520122.db2.gz DWQUXKPELMUXSO-GFCCVEGCSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001246840202 804548912 /nfs/dbraw/zinc/54/89/12/804548912.db2.gz GFSVIEKMENRWCO-DZGCQCFKSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[C@H]1C[C@@H]([N@H+](C)CC2CCCCC2)CCN1 ZINC001246847312 804556222 /nfs/dbraw/zinc/55/62/22/804556222.db2.gz SPCDBMWUYXFDPU-JKSUJKDBSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[C@H]1C[C@@H]([N@@H+](C)CC2CCCCC2)CCN1 ZINC001246847312 804556229 /nfs/dbraw/zinc/55/62/29/804556229.db2.gz SPCDBMWUYXFDPU-JKSUJKDBSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H](n2c3ccccc3nc2[C@H]2CCCCN2)CC[NH2+]1 ZINC001246847777 804558045 /nfs/dbraw/zinc/55/80/45/804558045.db2.gz MORCPVFQZSWSIV-IJEWVQPXSA-N 1 3 298.434 3.164 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246848498 804558644 /nfs/dbraw/zinc/55/86/44/804558644.db2.gz WCTSCHZDRNXBHO-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC[C@H](CCC)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246848498 804558649 /nfs/dbraw/zinc/55/86/49/804558649.db2.gz WCTSCHZDRNXBHO-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246849333 804559480 /nfs/dbraw/zinc/55/94/80/804559480.db2.gz ZRFLEKQFVOYWLT-HRCADAONSA-N 1 3 252.446 3.133 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246849333 804559486 /nfs/dbraw/zinc/55/94/86/804559486.db2.gz ZRFLEKQFVOYWLT-HRCADAONSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856204 804564289 /nfs/dbraw/zinc/56/42/89/804564289.db2.gz ZQXIHRAEFCFUEE-HFTRVMKXSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CCN1 ZINC001246856204 804564292 /nfs/dbraw/zinc/56/42/92/804564292.db2.gz ZQXIHRAEFCFUEE-HFTRVMKXSA-N 1 3 290.426 3.221 20 0 CGADHO CCCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880785 804576917 /nfs/dbraw/zinc/57/69/17/804576917.db2.gz SHSRUHOPFINHAN-JQHSSLGASA-N 1 3 272.436 3.038 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)CC23CC3)CCN1 ZINC001246892750 804582812 /nfs/dbraw/zinc/58/28/12/804582812.db2.gz IRCWATGDAWXRSQ-RBSFLKMASA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](C)CC23CC3)CCN1 ZINC001246892750 804582819 /nfs/dbraw/zinc/58/28/19/804582819.db2.gz IRCWATGDAWXRSQ-RBSFLKMASA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246892966 804583003 /nfs/dbraw/zinc/58/30/03/804583003.db2.gz KUGZKWPWIRPYIA-NXOAAHMSSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H]1CC([N@H+](CC2CC2)C2CC2)C[C@H](CC)N1 ZINC001246911073 804595194 /nfs/dbraw/zinc/59/51/94/804595194.db2.gz DTFOYNLMBVVPRO-KBPBESRZSA-N 1 3 250.430 3.170 20 0 CGADHO CC[C@H]1CC([N@@H+](CC2CC2)C2CC2)C[C@H](CC)N1 ZINC001246911073 804595202 /nfs/dbraw/zinc/59/52/02/804595202.db2.gz DTFOYNLMBVVPRO-KBPBESRZSA-N 1 3 250.430 3.170 20 0 CGADHO CSCC[C@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246939785 804611027 /nfs/dbraw/zinc/61/10/27/804611027.db2.gz VHAQLFTYIMFMSJ-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO CSCC[C@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246939785 804611030 /nfs/dbraw/zinc/61/10/30/804611030.db2.gz VHAQLFTYIMFMSJ-LSDHHAIUSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001246978533 804625434 /nfs/dbraw/zinc/62/54/34/804625434.db2.gz VWXDFFJNRBHWGH-HTWGDNNSSA-N 1 3 296.817 3.079 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CSc2ccccc2C1 ZINC001246997438 804632835 /nfs/dbraw/zinc/63/28/35/804632835.db2.gz VOVFNASMBFKEPF-ZBFHGGJFSA-N 1 3 290.476 3.025 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@](C)(C[NH3+])C1 ZINC001247006260 804637151 /nfs/dbraw/zinc/63/71/51/804637151.db2.gz XMSMJNBPDTWMGW-XJKSGUPXSA-N 1 3 280.843 3.332 20 0 CGADHO CC[C@@H](C)N1CCC([NH3+])(c2ccc(Cl)cc2)CC1 ZINC001257434105 807154930 /nfs/dbraw/zinc/15/49/30/807154930.db2.gz NVOCKBNVOOBOQX-GFCCVEGCSA-N 1 3 266.816 3.388 20 0 CGADHO C[C@@H](CN)C[N@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257826452 807222317 /nfs/dbraw/zinc/22/23/17/807222317.db2.gz UUSARDNHQSBFBK-ZLPCBKJTSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257826452 807222324 /nfs/dbraw/zinc/22/23/24/807222324.db2.gz UUSARDNHQSBFBK-ZLPCBKJTSA-N 1 3 290.451 3.041 20 0 CGADHO CC(C)CN1CCC([NH2+][C@@H]2CCCc3cnccc32)CC1 ZINC001258008796 807263985 /nfs/dbraw/zinc/26/39/85/807263985.db2.gz FVNZITUSWPTQNP-GOSISDBHSA-N 1 3 287.451 3.169 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001258016972 807265942 /nfs/dbraw/zinc/26/59/42/807265942.db2.gz PEQPSRODDKWLMF-ZDUSSCGKSA-N 1 3 274.399 3.084 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001258016972 807265944 /nfs/dbraw/zinc/26/59/44/807265944.db2.gz PEQPSRODDKWLMF-ZDUSSCGKSA-N 1 3 274.399 3.084 20 0 CGADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(CC2CC2)CC1 ZINC001168371585 807395973 /nfs/dbraw/zinc/39/59/73/807395973.db2.gz OZZPMXZTALESAD-UHFFFAOYSA-N 1 3 276.399 3.132 20 0 CGADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(CC2CC2)CC1 ZINC001168371585 807395979 /nfs/dbraw/zinc/39/59/79/807395979.db2.gz OZZPMXZTALESAD-UHFFFAOYSA-N 1 3 276.399 3.132 20 0 CGADHO COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001258391414 807437010 /nfs/dbraw/zinc/43/70/10/807437010.db2.gz ZVZLVJVQPRJKHK-DOTOQJQBSA-N 1 3 290.451 3.090 20 0 CGADHO C[C@H](CC1CC1)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001258453022 807458625 /nfs/dbraw/zinc/45/86/25/807458625.db2.gz GYKINFMWIFVOCS-CYBMUJFWSA-N 1 3 276.399 3.264 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+](C)C[C@H](C)CN ZINC001169062038 807563414 /nfs/dbraw/zinc/56/34/14/807563414.db2.gz QDHSMXPLDOPWQI-NVXWUHKLSA-N 1 3 262.441 3.170 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)CN ZINC001169062038 807563416 /nfs/dbraw/zinc/56/34/16/807563416.db2.gz QDHSMXPLDOPWQI-NVXWUHKLSA-N 1 3 262.441 3.170 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Cl)c1)C2 ZINC001169081632 807569156 /nfs/dbraw/zinc/56/91/56/807569156.db2.gz UWHFPEBGISJWQB-QDMKHBRRSA-N 1 3 264.800 3.055 20 0 CGADHO Cc1cc(F)cc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169090895 807571035 /nfs/dbraw/zinc/57/10/35/807571035.db2.gz NMJJCAWFRWBETP-MUJYYYPQSA-N 1 3 276.399 3.157 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC001169091763 807571880 /nfs/dbraw/zinc/57/18/80/807571880.db2.gz UXZRCRXJHACFIN-JGPRNRPPSA-N 1 3 270.829 3.116 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC001169099635 807575209 /nfs/dbraw/zinc/57/52/09/807575209.db2.gz CZQPWEGILSUYHN-JJTUDDRGSA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC001169099635 807575214 /nfs/dbraw/zinc/57/52/14/807575214.db2.gz CZQPWEGILSUYHN-JJTUDDRGSA-N 1 3 290.838 3.411 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001169100964 807576923 /nfs/dbraw/zinc/57/69/23/807576923.db2.gz NCBAASGWWMRHKP-NSIVTLKISA-N 1 3 270.420 3.450 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001169100964 807576925 /nfs/dbraw/zinc/57/69/25/807576925.db2.gz NCBAASGWWMRHKP-NSIVTLKISA-N 1 3 270.420 3.450 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3ccoc3c1)C2 ZINC001169108549 807578049 /nfs/dbraw/zinc/57/80/49/807578049.db2.gz BCLQFSLQCBWNBT-PHZGNYQRSA-N 1 3 270.376 3.148 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccccc1)C1CC1)C2 ZINC001169155260 807596268 /nfs/dbraw/zinc/59/62/68/807596268.db2.gz LUFSRFRYXMOKCX-BCDXTJNWSA-N 1 3 270.420 3.276 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1ccccc1)C1CC1)C2 ZINC001169155260 807596275 /nfs/dbraw/zinc/59/62/75/807596275.db2.gz LUFSRFRYXMOKCX-BCDXTJNWSA-N 1 3 270.420 3.276 20 0 CGADHO CCC[NH+]1CCC(N2CCc3ccccc3[C@@H]2C)CC1 ZINC001258771466 807604785 /nfs/dbraw/zinc/60/47/85/807604785.db2.gz DBJRAIIAAGUJEU-HNNXBMFYSA-N 1 3 272.436 3.480 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258835315 807649067 /nfs/dbraw/zinc/64/90/67/807649067.db2.gz VYKVHAAAOPOTIM-CVEARBPZSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258835315 807649068 /nfs/dbraw/zinc/64/90/68/807649068.db2.gz VYKVHAAAOPOTIM-CVEARBPZSA-N 1 3 266.473 3.331 20 0 CGADHO CCCCN(C)CCC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169975793 807732766 /nfs/dbraw/zinc/73/27/66/807732766.db2.gz WRFOGDLXMXRDJF-UHFFFAOYSA-N 1 3 299.503 3.109 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001170118042 807764018 /nfs/dbraw/zinc/76/40/18/807764018.db2.gz PESSRMQGVILQNH-WBVHZDCISA-N 1 3 287.451 3.072 20 0 CGADHO COc1ccc(C2([NH3+])CCN([C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170119468 807765006 /nfs/dbraw/zinc/76/50/06/807765006.db2.gz BOLDJJAPMJZZHD-GOEBONIOSA-N 1 3 288.435 3.134 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171024554 807962339 /nfs/dbraw/zinc/96/23/39/807962339.db2.gz JTSCZLNZRIMITF-CABCVRRESA-N 1 3 292.854 3.271 20 0 CGADHO Clc1ccc2c(c1)CC[C@@H]([NH2+]CCCN1CCCC1)C2 ZINC001171091982 807981670 /nfs/dbraw/zinc/98/16/70/807981670.db2.gz TVVYGPCOKLFNRG-QGZVFWFLSA-N 1 3 292.854 3.273 20 0 CGADHO C[C@@H](CN)C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149521 807999091 /nfs/dbraw/zinc/99/90/91/807999091.db2.gz XHGHYQBTTRPVHW-CABZTGNLSA-N 1 3 287.234 3.035 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171549063 808090936 /nfs/dbraw/zinc/09/09/36/808090936.db2.gz IYOLAMSVEDXVPR-QGZVFWFLSA-N 1 3 274.452 3.174 20 0 CGADHO CN1C(C)(C)CC([NH2+]C2CCC(CCO)CC2)CC1(C)C ZINC001171626354 808107595 /nfs/dbraw/zinc/10/75/95/808107595.db2.gz ZWNXEXKQTSITGC-UHFFFAOYSA-N 1 3 296.499 3.169 20 0 CGADHO C[NH+]1C(C)(C)CC(N[C@@H]2C=CCCC2)CC1(C)C ZINC001171626843 808107933 /nfs/dbraw/zinc/10/79/33/808107933.db2.gz DAQZKYNSSLEPLA-CYBMUJFWSA-N 1 3 250.430 3.336 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2C=CCCC2)CC1(C)C ZINC001171626843 808107935 /nfs/dbraw/zinc/10/79/35/808107935.db2.gz DAQZKYNSSLEPLA-CYBMUJFWSA-N 1 3 250.430 3.336 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(O)cc1 ZINC001172105430 808177219 /nfs/dbraw/zinc/17/72/19/808177219.db2.gz HWCOPVRTRDVOSL-QCEMKRCNSA-N 1 3 274.408 3.058 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(O)cc1 ZINC001172105430 808177220 /nfs/dbraw/zinc/17/72/20/808177220.db2.gz HWCOPVRTRDVOSL-QCEMKRCNSA-N 1 3 274.408 3.058 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3ccncc31)C2 ZINC001172109273 808178438 /nfs/dbraw/zinc/17/84/38/808178438.db2.gz JKURRMYYWAOVDF-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3ccncc31)C2 ZINC001172109273 808178441 /nfs/dbraw/zinc/17/84/41/808178441.db2.gz JKURRMYYWAOVDF-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO Cc1cc([C@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114663 808180927 /nfs/dbraw/zinc/18/09/27/808180927.db2.gz RXCLJDANVKWGGD-WBTNSWJXSA-N 1 3 289.423 3.135 20 0 CGADHO Cc1cc([C@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114663 808180931 /nfs/dbraw/zinc/18/09/31/808180931.db2.gz RXCLJDANVKWGGD-WBTNSWJXSA-N 1 3 289.423 3.135 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1ccco1)C1CC1)C2 ZINC001172127000 808187217 /nfs/dbraw/zinc/18/72/17/808187217.db2.gz FIHWGIUNGUARSY-MUJYYYPQSA-N 1 3 274.408 3.259 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1ccco1)C1CC1)C2 ZINC001172127000 808187222 /nfs/dbraw/zinc/18/72/22/808187222.db2.gz FIHWGIUNGUARSY-MUJYYYPQSA-N 1 3 274.408 3.259 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CCN(CC2CC2)C3)C[C@H]1C ZINC001172373687 808268131 /nfs/dbraw/zinc/26/81/31/808268131.db2.gz MXDHRQUTUSKBBS-BFYDXBDKSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@@H]1CCCN1C ZINC001172855835 808463187 /nfs/dbraw/zinc/46/31/87/808463187.db2.gz HZHSKMLFKPCNTH-WFASDCNBSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@@H](C[NH3+])CN(C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881288 808474852 /nfs/dbraw/zinc/47/48/52/808474852.db2.gz ZTMDXWOCLFDXIV-RYUDHWBXSA-N 1 3 286.872 3.347 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC001173238979 808547238 /nfs/dbraw/zinc/54/72/38/808547238.db2.gz ZBGDBQGNICRJAZ-INIZCTEOSA-N 1 3 274.452 3.256 20 0 CGADHO CCSC[C@@H](C)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001173304200 808601420 /nfs/dbraw/zinc/60/14/20/808601420.db2.gz GBIGFKPMWGTHPX-CVEARBPZSA-N 1 3 284.513 3.468 20 0 CGADHO CCSC[C@@H](C)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001173304200 808601424 /nfs/dbraw/zinc/60/14/24/808601424.db2.gz GBIGFKPMWGTHPX-CVEARBPZSA-N 1 3 284.513 3.468 20 0 CGADHO Cc1cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)oc1C ZINC001276174945 808991824 /nfs/dbraw/zinc/99/18/24/808991824.db2.gz FCMXOHRDNJTMBD-UHFFFAOYSA-N 1 3 276.424 3.204 20 0 CGADHO Cc1cc(CN2CCC3(CCC[N@H+](C)C3)CC2)oc1C ZINC001276174945 808991826 /nfs/dbraw/zinc/99/18/26/808991826.db2.gz FCMXOHRDNJTMBD-UHFFFAOYSA-N 1 3 276.424 3.204 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3F)C[C@H]2CC1 ZINC001276297988 808999580 /nfs/dbraw/zinc/99/95/80/808999580.db2.gz SYTSDMACDRQRGG-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3F)C[C@H]2CC1 ZINC001276297988 808999584 /nfs/dbraw/zinc/99/95/84/808999584.db2.gz SYTSDMACDRQRGG-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO CC(C)OCCN[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277658928 809087213 /nfs/dbraw/zinc/08/72/13/809087213.db2.gz ZODCYYCYTHZUBG-ZWKOTPCHSA-N 1 3 294.483 3.379 20 0 CGADHO Cc1cc(NC2=CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC001175505200 809433303 /nfs/dbraw/zinc/43/33/03/809433303.db2.gz NNTYPMLFTCXWQS-UHFFFAOYSA-N 1 3 279.387 3.014 20 0 CGADHO COC1(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CCCCCC1 ZINC001179918577 809957693 /nfs/dbraw/zinc/95/76/93/809957693.db2.gz CTYXDVFKXXYCJG-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO COC1(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CCCCCC1 ZINC001179918577 809957700 /nfs/dbraw/zinc/95/77/00/809957700.db2.gz CTYXDVFKXXYCJG-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO CCC[C@H](CNC(C)(C)CC[NH+]1CCCCCC1)OC ZINC001181043379 810033258 /nfs/dbraw/zinc/03/32/58/810033258.db2.gz MOCUFAZGRLOUPA-MRXNPFEDSA-N 1 3 284.488 3.436 20 0 CGADHO CCC1(CC)[C@H](N(C)CCC[NH+]2CCCCC2)C[C@@H]1OC ZINC001191743210 810735025 /nfs/dbraw/zinc/73/50/25/810735025.db2.gz RBGBHLVZKJGOOW-SJORKVTESA-N 1 3 296.499 3.388 20 0 CGADHO Cc1cc(C)c(C[NH+]2CCC3(CN(C)C3)CC2)c(C)c1 ZINC001203745950 812451307 /nfs/dbraw/zinc/45/13/07/812451307.db2.gz HSQABUHSQKIQDD-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO c1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)co1 ZINC001204243794 812584019 /nfs/dbraw/zinc/58/40/19/812584019.db2.gz KBPSTOAZDYMJAC-UHFFFAOYSA-N 1 3 296.414 3.378 20 0 CGADHO c1cc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)co1 ZINC001204243794 812584023 /nfs/dbraw/zinc/58/40/23/812584023.db2.gz KBPSTOAZDYMJAC-UHFFFAOYSA-N 1 3 296.414 3.378 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc(C)c(C)c1 ZINC001204356627 812619221 /nfs/dbraw/zinc/61/92/21/812619221.db2.gz CLIXMUFZYOEAMI-UHFFFAOYSA-N 1 3 262.441 3.467 20 0 CGADHO Nc1nc(C[NH+](C2CCCCC2)C2CCCCC2)c[nH]1 ZINC001204611579 812690415 /nfs/dbraw/zinc/69/04/15/812690415.db2.gz VKJFDWZLXWXQAW-UHFFFAOYSA-N 1 3 276.428 3.459 20 0 CGADHO CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC[C@H](N)C2)cc1 ZINC001204877743 812762203 /nfs/dbraw/zinc/76/22/03/812762203.db2.gz ORLUKFJHCXSUTC-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@H](N)C2)cc1 ZINC001204877743 812762211 /nfs/dbraw/zinc/76/22/11/812762211.db2.gz ORLUKFJHCXSUTC-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@@H](N)C[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885420 812763539 /nfs/dbraw/zinc/76/35/39/812763539.db2.gz UWMFZNCQPONNJO-GOSISDBHSA-N 1 3 274.452 3.459 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCC[C@@](C)(N)C2)C1(C)C ZINC001204937494 812785081 /nfs/dbraw/zinc/78/50/81/812785081.db2.gz CTGPRDHIMPNKNG-GOEBONIOSA-N 1 3 250.430 3.182 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCC[C@@](C)(N)C2)C1(C)C ZINC001204937494 812785088 /nfs/dbraw/zinc/78/50/88/812785088.db2.gz CTGPRDHIMPNKNG-GOEBONIOSA-N 1 3 250.430 3.182 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001205033709 812834369 /nfs/dbraw/zinc/83/43/69/812834369.db2.gz LYMMZSSSCHTQON-UHFFFAOYSA-N 1 3 290.304 3.015 20 0 CGADHO C[C@H]1c2ccccc2CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001205164735 812896193 /nfs/dbraw/zinc/89/61/93/812896193.db2.gz REZFRLTZFQQGFO-HNNXBMFYSA-N 1 3 292.426 3.452 20 0 CGADHO c1cc2n(c1C[N@@H+]1CCCC[C@H]1c1ccccc1)CCNC2 ZINC001205171730 812898058 /nfs/dbraw/zinc/89/80/58/812898058.db2.gz WKCXSBOEIDJJFR-IBGZPJMESA-N 1 3 295.430 3.319 20 0 CGADHO c1cc2n(c1C[N@H+]1CCCC[C@H]1c1ccccc1)CCNC2 ZINC001205171730 812898066 /nfs/dbraw/zinc/89/80/66/812898066.db2.gz WKCXSBOEIDJJFR-IBGZPJMESA-N 1 3 295.430 3.319 20 0 CGADHO C[C@@H]1[C@H](N)CC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205182922 812900441 /nfs/dbraw/zinc/90/04/41/812900441.db2.gz RGEAWFFBJWCPIP-IUODEOHRSA-N 1 3 285.435 3.387 20 0 CGADHO C[C@@H]1[C@H](N)CC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001205182922 812900443 /nfs/dbraw/zinc/90/04/43/812900443.db2.gz RGEAWFFBJWCPIP-IUODEOHRSA-N 1 3 285.435 3.387 20 0 CGADHO CC/C=C\CCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001205296829 812937678 /nfs/dbraw/zinc/93/76/78/812937678.db2.gz ULPMXWSYRVXXCY-XETQRACLSA-N 1 3 252.446 3.430 20 0 CGADHO CC/C=C\CCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001205296829 812937682 /nfs/dbraw/zinc/93/76/82/812937682.db2.gz ULPMXWSYRVXXCY-XETQRACLSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)(CCN1CCC(F)(F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC001205735924 813063504 /nfs/dbraw/zinc/06/35/04/813063504.db2.gz RYCIDTHKFZWISF-HNNXBMFYSA-N 1 3 296.405 3.270 20 0 CGADHO CC(C)c1ccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904552 813126551 /nfs/dbraw/zinc/12/65/51/813126551.db2.gz VSTXOYVAANXKOO-WMLDXEAASA-N 1 3 260.425 3.369 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc(OC(C)(C)C)cc1 ZINC001205914736 813131319 /nfs/dbraw/zinc/13/13/19/813131319.db2.gz NCSGKKXPQCPLHC-HOCLYGCPSA-N 1 3 290.451 3.423 20 0 CGADHO C[C@H]1CN(Cc2c(F)cccc2Cl)CCC[C@H]1C[NH3+] ZINC001205984732 813153091 /nfs/dbraw/zinc/15/30/91/813153091.db2.gz UPUOVHIIYPICJG-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO CC(C)c1ccc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206163750 813220812 /nfs/dbraw/zinc/22/08/12/813220812.db2.gz FGOCMOBQRQADNX-HZPDHXFCSA-N 1 3 264.388 3.071 20 0 CGADHO [NH3+][C@H]1CCN(Cc2csc3ccccc23)CC[C@@H]1F ZINC001206174077 813226586 /nfs/dbraw/zinc/22/65/86/813226586.db2.gz LVGAPIJHEBHISO-KBPBESRZSA-N 1 3 278.396 3.163 20 0 CGADHO N[C@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187491 813231738 /nfs/dbraw/zinc/23/17/38/813231738.db2.gz TYCALKLWOGFTAL-ROUUACIJSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187491 813231742 /nfs/dbraw/zinc/23/17/42/813231742.db2.gz TYCALKLWOGFTAL-ROUUACIJSA-N 1 3 299.393 3.010 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2ccccc2-c2ccncc2)CC[C@@H]1F ZINC001206198619 813236131 /nfs/dbraw/zinc/23/61/31/813236131.db2.gz MZNTYRKEGATVJX-ZWKOTPCHSA-N 1 3 299.393 3.010 20 0 CGADHO Cc1csc(CN2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206547132 813346180 /nfs/dbraw/zinc/34/61/80/813346180.db2.gz BYILERSYWIMGJK-CQSZACIVSA-N 1 3 252.427 3.007 20 0 CGADHO CC(C)Oc1cccc(CN2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206547589 813347433 /nfs/dbraw/zinc/34/74/33/813347433.db2.gz CSNWCVMZPKMNHT-GOSISDBHSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2cc(F)cc3cc[nH]c32)C1 ZINC001206580512 813361985 /nfs/dbraw/zinc/36/19/85/813361985.db2.gz DGKMTNGQAGPBLG-KRWDZBQOSA-N 1 3 289.398 3.258 20 0 CGADHO CC(C)[N@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCCNCC1 ZINC001206581025 813362456 /nfs/dbraw/zinc/36/24/56/813362456.db2.gz HJHZJJCTCSFSLY-HZMVEIRTSA-N 1 3 262.441 3.051 20 0 CGADHO CC(C)[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCCNCC1 ZINC001206581025 813362462 /nfs/dbraw/zinc/36/24/62/813362462.db2.gz HJHZJJCTCSFSLY-HZMVEIRTSA-N 1 3 262.441 3.051 20 0 CGADHO Cc1cccc2[nH]cc(C[N@@H+]3CCCC[C@H](CN)C3)c21 ZINC001206624880 813378532 /nfs/dbraw/zinc/37/85/32/813378532.db2.gz ZKARIJSVGVBFSQ-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1cccc2[nH]cc(C[N@H+]3CCCC[C@H](CN)C3)c21 ZINC001206624880 813378543 /nfs/dbraw/zinc/37/85/43/813378543.db2.gz ZKARIJSVGVBFSQ-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1cccc2[nH]cc(CN3CCCC[C@H](C[NH3+])C3)c21 ZINC001206624880 813378549 /nfs/dbraw/zinc/37/85/49/813378549.db2.gz ZKARIJSVGVBFSQ-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO C[NH2+]CCCN1CCC(Cc2cccc(Cl)c2)CC1 ZINC001206704388 813402077 /nfs/dbraw/zinc/40/20/77/813402077.db2.gz SATWCENQKIFJBN-UHFFFAOYSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCCCCc1ccccc1 ZINC001206761066 813426660 /nfs/dbraw/zinc/42/66/60/813426660.db2.gz SLXAXXZJYDFCAP-FUHWJXTLSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@H+]1CCCCCc1ccccc1 ZINC001206761066 813426663 /nfs/dbraw/zinc/42/66/63/813426663.db2.gz SLXAXXZJYDFCAP-FUHWJXTLSA-N 1 3 274.452 3.459 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001207286306 813536579 /nfs/dbraw/zinc/53/65/79/813536579.db2.gz QWJOEAZHYYXFCP-CQSZACIVSA-N 1 3 278.415 3.203 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001207286306 813536587 /nfs/dbraw/zinc/53/65/87/813536587.db2.gz QWJOEAZHYYXFCP-CQSZACIVSA-N 1 3 278.415 3.203 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC001207861660 813662826 /nfs/dbraw/zinc/66/28/26/813662826.db2.gz DABGNYXPBHUZOX-JKSUJKDBSA-N 1 3 277.456 3.113 20 0 CGADHO CC1=C[C@@H](C)[C@@H](C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001208167076 813720608 /nfs/dbraw/zinc/72/06/08/813720608.db2.gz ZETCNQBCOGXRDO-IAGOWNOFSA-N 1 3 285.435 3.196 20 0 CGADHO CN(CCc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001208608389 813774334 /nfs/dbraw/zinc/77/43/34/813774334.db2.gz ILDPWTKYDUOSIZ-HNNXBMFYSA-N 1 3 280.843 3.156 20 0 CGADHO CN(CCc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208608389 813774337 /nfs/dbraw/zinc/77/43/37/813774337.db2.gz ILDPWTKYDUOSIZ-HNNXBMFYSA-N 1 3 280.843 3.156 20 0 CGADHO CCN(CCC[NH+](C)C)CCc1ccc(Cl)cc1 ZINC001208743256 813831970 /nfs/dbraw/zinc/83/19/70/813831970.db2.gz YVVMNNDOIMELHN-UHFFFAOYSA-N 1 3 268.832 3.156 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475381 814479471 /nfs/dbraw/zinc/47/94/71/814479471.db2.gz MPGHKXUHGFIAJL-XNRPHZJLSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475381 814479473 /nfs/dbraw/zinc/47/94/73/814479473.db2.gz MPGHKXUHGFIAJL-XNRPHZJLSA-N 1 3 278.827 3.127 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141183 816357455 /nfs/dbraw/zinc/35/74/55/816357455.db2.gz HQHLEPPEWGNXPC-IBGZPJMESA-N 1 3 286.463 3.428 20 0 CGADHO Clc1ccccc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452261 816448968 /nfs/dbraw/zinc/44/89/68/816448968.db2.gz DLJPUUQWMICWIZ-UHFFFAOYSA-N 1 3 278.827 3.306 20 0 CGADHO Cc1cccc2[nH]cc(CN3CCC4(CCC[NH2+]C4)CC3)c21 ZINC001222452445 816449078 /nfs/dbraw/zinc/44/90/78/816449078.db2.gz FTACPUJDCUNLLT-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO COc1cccc(CC[N@H+](C)Cc2cc3cnccc3[nH]2)c1 ZINC001232013943 818233061 /nfs/dbraw/zinc/23/30/61/818233061.db2.gz IFKRTBBYIFLKKQ-UHFFFAOYSA-N 1 3 295.386 3.246 20 0 CGADHO COc1cccc(CC[N@@H+](C)Cc2cc3cnccc3[nH]2)c1 ZINC001232013943 818233066 /nfs/dbraw/zinc/23/30/66/818233066.db2.gz IFKRTBBYIFLKKQ-UHFFFAOYSA-N 1 3 295.386 3.246 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+](C)CC2CCC2)c1 ZINC001232147140 818264258 /nfs/dbraw/zinc/26/42/58/818264258.db2.gz JSGYMLKFBRCDCT-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)CC2CCC2)c1 ZINC001232147140 818264264 /nfs/dbraw/zinc/26/42/64/818264264.db2.gz JSGYMLKFBRCDCT-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO COc1cc(Cl)ccc1CN(C)CC1CC[NH+](C)CC1 ZINC001232498995 818373087 /nfs/dbraw/zinc/37/30/87/818373087.db2.gz HKTLBCYDWBUJHN-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(Cc3cccc4c3CCCC4)C2)C1 ZINC001232639030 818409041 /nfs/dbraw/zinc/40/90/41/818409041.db2.gz RXAUVXFNPKQCRU-IBGZPJMESA-N 1 3 284.447 3.093 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(Cc3cccc4c3CCCC4)C2)C1 ZINC001232639030 818409047 /nfs/dbraw/zinc/40/90/47/818409047.db2.gz RXAUVXFNPKQCRU-IBGZPJMESA-N 1 3 284.447 3.093 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cccc2ncsc21 ZINC001232737778 818429059 /nfs/dbraw/zinc/42/90/59/818429059.db2.gz KFBXOSDMJMYOPL-UHFFFAOYSA-N 1 3 291.464 3.460 20 0 CGADHO CC[NH+](CC)Cc1ccccc1-c1ccc(CN)nc1 ZINC001243337520 823351428 /nfs/dbraw/zinc/35/14/28/823351428.db2.gz CRVDGEHQEQYGAH-UHFFFAOYSA-N 1 3 269.392 3.049 20 0 CGADHO Cc1c2ccccc2sc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235032318 818985102 /nfs/dbraw/zinc/98/51/02/818985102.db2.gz JXHJBJFTYZDXAT-KRWDZBQOSA-N 1 3 286.444 3.395 20 0 CGADHO CCCOc1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235104376 819004187 /nfs/dbraw/zinc/00/41/87/819004187.db2.gz QOLZGVYFIHRRGQ-UHFFFAOYSA-N 1 3 288.435 3.051 20 0 CGADHO Fc1cccc(F)c1CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160786 819019258 /nfs/dbraw/zinc/01/92/58/819019258.db2.gz ZGMUIAQDLKJWFD-QGZVFWFLSA-N 1 3 294.389 3.319 20 0 CGADHO Cc1sc2ccccc2c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185406 819028102 /nfs/dbraw/zinc/02/81/02/819028102.db2.gz SZJOQFVKBPCBAR-KGLIPLIRSA-N 1 3 286.444 3.251 20 0 CGADHO CC/C=C\CCN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348691 819075581 /nfs/dbraw/zinc/07/55/81/819075581.db2.gz JBQBUPVHMANXQF-IFEVLTCRSA-N 1 3 284.447 3.422 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406476 819088511 /nfs/dbraw/zinc/08/85/11/819088511.db2.gz PUWIRBAGKNJQDL-RBUKOAKNSA-N 1 3 298.405 3.315 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406476 819088514 /nfs/dbraw/zinc/08/85/14/819088514.db2.gz PUWIRBAGKNJQDL-RBUKOAKNSA-N 1 3 298.405 3.315 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+](C)C1CCNCC1 ZINC001235464272 819105473 /nfs/dbraw/zinc/10/54/73/819105473.db2.gz BRPPZPFQQIIEED-UHFFFAOYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+](C)C1CCNCC1 ZINC001235464272 819105477 /nfs/dbraw/zinc/10/54/77/819105477.db2.gz BRPPZPFQQIIEED-UHFFFAOYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc2ccccc2c1CN(C)C1CC[NH2+]CC1 ZINC001235464272 819105482 /nfs/dbraw/zinc/10/54/82/819105482.db2.gz BRPPZPFQQIIEED-UHFFFAOYSA-N 1 3 268.404 3.332 20 0 CGADHO CC[C@H](N)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001235676682 819137291 /nfs/dbraw/zinc/13/72/91/819137291.db2.gz UHYKIGAODMMOLV-KRWDZBQOSA-N 1 3 260.425 3.069 20 0 CGADHO Fc1cccc(CN2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235702998 819147172 /nfs/dbraw/zinc/14/71/72/819147172.db2.gz ZVSRSEHSCJLHEQ-UHFFFAOYSA-N 1 3 276.399 3.037 20 0 CGADHO [NH3+]Cc1cccc(CN2CCSC[C@H]2c2ccccc2)c1 ZINC001235813506 819174388 /nfs/dbraw/zinc/17/43/88/819174388.db2.gz XFOKEJHXBYBFLE-SFHVURJKSA-N 1 3 298.455 3.435 20 0 CGADHO [NH3+]CCC1CN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC001235918350 819220164 /nfs/dbraw/zinc/22/01/64/819220164.db2.gz DBVXOZRZGGFSLP-UHFFFAOYSA-N 1 3 282.387 3.260 20 0 CGADHO CN(CCCc1ccccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC001235952559 819242552 /nfs/dbraw/zinc/24/25/52/819242552.db2.gz ZOUMXFMVFXVYTA-AWEZNQCLSA-N 1 3 280.843 3.204 20 0 CGADHO C[NH2+]C[C@@H]1CCN(Cc2c(C)c(C)c(C)c(C)c2C)C1 ZINC001236068269 819298407 /nfs/dbraw/zinc/29/84/07/819298407.db2.gz XLQJRZOZEMBJDJ-KRWDZBQOSA-N 1 3 274.452 3.270 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@@H]1N ZINC001236213656 819375474 /nfs/dbraw/zinc/37/54/74/819375474.db2.gz OJCCMGOOJSFMFH-OALUTQOASA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCCC[C@@H]1N ZINC001236213656 819375483 /nfs/dbraw/zinc/37/54/83/819375483.db2.gz OJCCMGOOJSFMFH-OALUTQOASA-N 1 3 295.430 3.450 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236217375 819382461 /nfs/dbraw/zinc/38/24/61/819382461.db2.gz OQPZZYUGEBVWBN-IRXDYDNUSA-N 1 3 290.451 3.322 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236217375 819382470 /nfs/dbraw/zinc/38/24/70/819382470.db2.gz OQPZZYUGEBVWBN-IRXDYDNUSA-N 1 3 290.451 3.322 20 0 CGADHO CCn1ccc2ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)cc21 ZINC001236218670 819384154 /nfs/dbraw/zinc/38/41/54/819384154.db2.gz SUEQLBIPWGEQLP-IAGOWNOFSA-N 1 3 285.435 3.363 20 0 CGADHO CCn1ccc2ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)cc21 ZINC001236218670 819384160 /nfs/dbraw/zinc/38/41/60/819384160.db2.gz SUEQLBIPWGEQLP-IAGOWNOFSA-N 1 3 285.435 3.363 20 0 CGADHO C[N@H+](Cc1cccc2ccoc21)[C@@H]1CCCC[C@@H]1N ZINC001236219236 819385258 /nfs/dbraw/zinc/38/52/58/819385258.db2.gz UWLLBSIYBITOSX-LSDHHAIUSA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2ccoc21)[C@@H]1CCCC[C@@H]1N ZINC001236219236 819385262 /nfs/dbraw/zinc/38/52/62/819385262.db2.gz UWLLBSIYBITOSX-LSDHHAIUSA-N 1 3 258.365 3.135 20 0 CGADHO C/C=C(\NC=[NH2+])c1ccc(CN2CCCCC2)c(F)c1 ZINC001236230864 819393393 /nfs/dbraw/zinc/39/33/93/819393393.db2.gz FSUXMAFHTIYNIF-CFZMTHNTSA-N 1 3 275.371 3.369 20 0 CGADHO C[C@@H]1C[C@@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401583 819450775 /nfs/dbraw/zinc/45/07/75/819450775.db2.gz PGKFJCJFDZUGHV-UKRRQHHQSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401583 819450778 /nfs/dbraw/zinc/45/07/78/819450778.db2.gz PGKFJCJFDZUGHV-UKRRQHHQSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401583 819450779 /nfs/dbraw/zinc/45/07/79/819450779.db2.gz PGKFJCJFDZUGHV-UKRRQHHQSA-N 1 3 276.399 3.036 20 0 CGADHO CCN(Cc1ccc2cc(OC)ccc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236409035 819455888 /nfs/dbraw/zinc/45/58/88/819455888.db2.gz RCKBUTSSLJLDQP-MRXNPFEDSA-N 1 3 298.430 3.280 20 0 CGADHO CCN(Cc1c(C)cc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236407990 819456024 /nfs/dbraw/zinc/45/60/24/819456024.db2.gz LLPXYNDKYCYIRK-INIZCTEOSA-N 1 3 260.425 3.043 20 0 CGADHO CCN(Cc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236407918 819456037 /nfs/dbraw/zinc/45/60/37/819456037.db2.gz INPNHENNMRGUTP-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](CC1CCC1)C1CCNCC1 ZINC001236510033 819508065 /nfs/dbraw/zinc/50/80/65/819508065.db2.gz WDKQQWFPFQOUSX-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](CC1CCC1)C1CCNCC1 ZINC001236510033 819508068 /nfs/dbraw/zinc/50/80/68/819508068.db2.gz WDKQQWFPFQOUSX-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1ccc(F)cc1CN(CC1CCC1)C1CC[NH2+]CC1 ZINC001236510033 819508073 /nfs/dbraw/zinc/50/80/73/819508073.db2.gz WDKQQWFPFQOUSX-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](C[C@H]1C[C@H]1C)C1CCNCC1 ZINC001236518102 819511262 /nfs/dbraw/zinc/51/12/62/819511262.db2.gz PMRQVKUUMSYJPS-CZUORRHYSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](C[C@H]1C[C@H]1C)C1CCNCC1 ZINC001236518102 819511267 /nfs/dbraw/zinc/51/12/67/819511267.db2.gz PMRQVKUUMSYJPS-CZUORRHYSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1CN(C[C@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236518102 819511270 /nfs/dbraw/zinc/51/12/70/819511270.db2.gz PMRQVKUUMSYJPS-CZUORRHYSA-N 1 3 290.426 3.344 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+](CCC)CC1CNC1 ZINC001236661749 819566044 /nfs/dbraw/zinc/56/60/44/819566044.db2.gz GAVQQIANVXJXOT-GOSISDBHSA-N 1 3 274.452 3.329 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)CC1CNC1 ZINC001236661749 819566053 /nfs/dbraw/zinc/56/60/53/819566053.db2.gz GAVQQIANVXJXOT-GOSISDBHSA-N 1 3 274.452 3.329 20 0 CGADHO CCCN(Cc1cc(C)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236834829 819614752 /nfs/dbraw/zinc/61/47/52/819614752.db2.gz IOMKHFBVHXEQHU-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO CCCN(Cc1ccc(OC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236836511 819617110 /nfs/dbraw/zinc/61/71/10/819617110.db2.gz WNDMJAVPAZGUDO-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccccc2-n2cccc2)C1 ZINC001237080632 819662203 /nfs/dbraw/zinc/66/22/03/819662203.db2.gz HEYCVQNJWOZAHB-SFHVURJKSA-N 1 3 283.419 3.038 20 0 CGADHO CCCCC[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001237300473 819720861 /nfs/dbraw/zinc/72/08/61/819720861.db2.gz MFLMFKZGWNWFKJ-UHFFFAOYSA-N 1 3 258.409 3.271 20 0 CGADHO CCCCC[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001237300473 819720863 /nfs/dbraw/zinc/72/08/63/819720863.db2.gz MFLMFKZGWNWFKJ-UHFFFAOYSA-N 1 3 258.409 3.271 20 0 CGADHO Clc1cccc(CCCN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237382694 819737574 /nfs/dbraw/zinc/73/75/74/819737574.db2.gz MRLNUAVKTCDOCC-NVXWUHKLSA-N 1 3 292.854 3.347 20 0 CGADHO CCN(CC)Cc1ccc(-c2cncc(C[NH3+])c2)cc1F ZINC001239808681 820623447 /nfs/dbraw/zinc/62/34/47/820623447.db2.gz FYSDHMIILZLUTJ-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CCN(CC)Cc1cc(C2=CC[NH2+]CC2)ccc1F ZINC001240471143 821078433 /nfs/dbraw/zinc/07/84/33/821078433.db2.gz WNBDXHXWSMJOJQ-UHFFFAOYSA-N 1 3 262.372 3.044 20 0 CGADHO N[C@H]1CC[N@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713123 821269332 /nfs/dbraw/zinc/26/93/32/821269332.db2.gz XYBONRXYCUZOSV-HNNXBMFYSA-N 1 3 291.398 3.368 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2ccccc2-c2cccc3[nH]ccc32)C1 ZINC001240713123 821269336 /nfs/dbraw/zinc/26/93/36/821269336.db2.gz XYBONRXYCUZOSV-HNNXBMFYSA-N 1 3 291.398 3.368 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001459590566 937492724 /nfs/dbraw/zinc/49/27/24/937492724.db2.gz XQYXEHPLEBZVMT-SQNIBIBYSA-N 1 3 290.426 3.488 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001459590566 937492725 /nfs/dbraw/zinc/49/27/25/937492725.db2.gz XQYXEHPLEBZVMT-SQNIBIBYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1cccc(C2([NH2+]CC[C@@H]3CCCN3C)CCC2)c1 ZINC001460292788 937524892 /nfs/dbraw/zinc/52/48/92/937524892.db2.gz QWLHUNFHWVPCEL-KRWDZBQOSA-N 1 3 272.436 3.448 20 0 CGADHO C[C@@H](c1ccccc1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001460563639 937535368 /nfs/dbraw/zinc/53/53/68/937535368.db2.gz XZAIKEXSDUDOCK-BHYGNILZSA-N 1 3 258.409 3.021 20 0 CGADHO C[C@@H](c1ccccc1)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001460563639 937535370 /nfs/dbraw/zinc/53/53/70/937535370.db2.gz XZAIKEXSDUDOCK-BHYGNILZSA-N 1 3 258.409 3.021 20 0 CGADHO Cc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCN(C)C2)c1 ZINC001461181838 937568138 /nfs/dbraw/zinc/56/81/38/937568138.db2.gz NGTWFBWJSGXZCG-CYBMUJFWSA-N 1 3 298.377 3.028 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC001461832100 937600286 /nfs/dbraw/zinc/60/02/86/937600286.db2.gz RXBRAYRBPCYRMV-INDMIFKZSA-N 1 3 286.463 3.356 20 0 CGADHO CO[C@@H](CNC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC001308706092 933163061 /nfs/dbraw/zinc/16/30/61/933163061.db2.gz RCFXNKCMMZEMCW-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)C[C@H](C)C(C)(C)C ZINC001308741722 933168153 /nfs/dbraw/zinc/16/81/53/933168153.db2.gz XBDHAQAGWKFNCU-IRXDYDNUSA-N 1 3 297.531 3.017 20 0 CGADHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)C[C@H](C)C(C)(C)C ZINC001308741722 933168156 /nfs/dbraw/zinc/16/81/56/933168156.db2.gz XBDHAQAGWKFNCU-IRXDYDNUSA-N 1 3 297.531 3.017 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC001320689465 934089946 /nfs/dbraw/zinc/08/99/46/934089946.db2.gz FMMSIDIEGFLELX-HRCADAONSA-N 1 3 252.446 3.134 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)cc1 ZINC001474757099 934177676 /nfs/dbraw/zinc/17/76/76/934177676.db2.gz QBMQJEDJDFHDSP-GUDVDZBRSA-N 1 3 286.463 3.282 20 0 CGADHO C[N@H+](CCCN1CCCC1)[C@H]1CCc2c1cccc2F ZINC001321652215 934201220 /nfs/dbraw/zinc/20/12/20/934201220.db2.gz DWRVMYQFRWOLQW-KRWDZBQOSA-N 1 3 276.399 3.231 20 0 CGADHO C[N@@H+](CCCN1CCCC1)[C@H]1CCc2c1cccc2F ZINC001321652215 934201227 /nfs/dbraw/zinc/20/12/27/934201227.db2.gz DWRVMYQFRWOLQW-KRWDZBQOSA-N 1 3 276.399 3.231 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC001329068959 935183227 /nfs/dbraw/zinc/18/32/27/935183227.db2.gz WIHOJYANUXIIKX-FUHWJXTLSA-N 1 3 274.452 3.248 20 0 CGADHO C[C@H]1CCCC[C@@H]1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001331565839 935394750 /nfs/dbraw/zinc/39/47/50/935394750.db2.gz PBUGXJUBTMDHRS-JKSUJKDBSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cccc(C2(NC[C@@H]3CCC[NH2+]C3)CCCC2)c1 ZINC001333582132 935548725 /nfs/dbraw/zinc/54/87/25/935548725.db2.gz KEQGKGNLFAVLPA-MRXNPFEDSA-N 1 3 272.436 3.354 20 0 CGADHO COc1cc(F)cc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC001473999804 937834984 /nfs/dbraw/zinc/83/49/84/937834984.db2.gz OESMVAARCRDTRZ-INIZCTEOSA-N 1 3 296.430 3.290 20 0 CGADHO CC1(C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC001549711032 938158950 /nfs/dbraw/zinc/15/89/50/938158950.db2.gz DCODPYQSORMPEL-PFUJJPPESA-N 1 3 270.420 3.051 20 0 CGADHO CC[C@H](N[C@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1 ZINC001551378093 938180732 /nfs/dbraw/zinc/18/07/32/938180732.db2.gz MAQNTLBZPHMHAM-OKZBNKHCSA-N 1 3 266.388 3.352 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC001553291692 938197926 /nfs/dbraw/zinc/19/79/26/938197926.db2.gz JGOTVOVLMRPYKT-UPJWGTAASA-N 1 3 290.373 3.229 20 0 CGADHO CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC001560361054 938255131 /nfs/dbraw/zinc/25/51/31/938255131.db2.gz HSABEIXKOSUJNA-IUODEOHRSA-N 1 3 296.842 3.311 20 0 CGADHO CC(C)c1ccc(CC[NH2+]C[C@H]2CN3CCC2CC3)cc1 ZINC001561034016 938290670 /nfs/dbraw/zinc/29/06/70/938290670.db2.gz CSKSAVXHMMBVHO-IBGZPJMESA-N 1 3 286.463 3.284 20 0 CGADHO CSC1(CNCc2cc(C(C)(C)[NH3+])no2)CCCCC1 ZINC001579365150 960484335 /nfs/dbraw/zinc/48/43/35/960484335.db2.gz JNGRGQZNSXLGAS-UHFFFAOYSA-N 1 3 297.468 3.024 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCCN2)C12CCC2 ZINC001575248007 962354085 /nfs/dbraw/zinc/35/40/85/962354085.db2.gz SKMQGUJAENEINA-OWCLPIDISA-N 1 3 294.483 3.235 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(CC2CCC2)c1 ZINC001576153677 962435752 /nfs/dbraw/zinc/43/57/52/962435752.db2.gz XKWUGDRXHKLRRA-ZIAGYGMSSA-N 1 3 260.425 3.245 20 0 CGADHO C[C@@H](NC[C@H]1[C@H](c2ccccc2)C1(F)F)[C@@H]1CCC[NH2+]C1 ZINC001576246446 962449222 /nfs/dbraw/zinc/44/92/22/962449222.db2.gz WLQWYUSPHZSMAE-OJLVUWQFSA-N 1 3 294.389 3.013 20 0 CGADHO CC(C)(C[NH2+]C[C@]1(C)CCCNC1)C1=CCCC1 ZINC001576519589 962463810 /nfs/dbraw/zinc/46/38/10/962463810.db2.gz SAMUDGCLOAIWBF-MRXNPFEDSA-N 1 3 250.430 3.102 20 0 CGADHO CC1(CC(F)(F)F)CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001576500896 962466010 /nfs/dbraw/zinc/46/60/10/962466010.db2.gz AZKDJMRWXFWDDW-YHWZYXNKSA-N 1 3 290.373 3.181 20 0 CGADHO CC(C)[C@H](CN[C@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850317 962487820 /nfs/dbraw/zinc/48/78/20/962487820.db2.gz RYLPJNMDJFHDRN-RYQLBKOJSA-N 1 3 274.452 3.089 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087649 962562599 /nfs/dbraw/zinc/56/25/99/962562599.db2.gz PQJRWSQBWGKLFW-ARFHVFGLSA-N 1 3 296.499 3.420 20 0 CGADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087649 962562607 /nfs/dbraw/zinc/56/26/07/962562607.db2.gz PQJRWSQBWGKLFW-ARFHVFGLSA-N 1 3 296.499 3.420 20 0 CGADHO COCC[C@H](c1ccccc1)N(C)CC[C@H]([NH3+])C(C)C ZINC001579005795 962612090 /nfs/dbraw/zinc/61/20/90/962612090.db2.gz YVMZABAMAKBKIS-DLBZAZTESA-N 1 3 278.440 3.069 20 0 CGADHO Cc1ccc(CN[C@@]2(C[NH3+])CCCC[C@@H]2C)c(C)c1 ZINC001579696873 962658435 /nfs/dbraw/zinc/65/84/35/962658435.db2.gz KNQPRDKSTAXIAN-DOTOQJQBSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CCCCN1)[C@H](C)C2 ZINC001579738353 962661760 /nfs/dbraw/zinc/66/17/60/962661760.db2.gz ZEZPFCZOEFJZTD-DTDBQYNISA-N 1 3 272.436 3.349 20 0 CGADHO Clc1ccc(CC2(NC[C@@]34C[C@@H]3C[NH2+]C4)CCC2)cc1 ZINC001579937970 962680112 /nfs/dbraw/zinc/68/01/12/962680112.db2.gz HWMNHFYCCQHJME-ZBFHGGJFSA-N 1 3 290.838 3.004 20 0 CGADHO [NH3+]CCCCCCNCc1ccsc1Br ZINC001580293269 962720301 /nfs/dbraw/zinc/72/03/01/962720301.db2.gz KKYGPDPUZBLKIV-UHFFFAOYSA-N 1 3 291.258 3.119 20 0 CGADHO CC1CC(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000621384792 349515514 /nfs/dbraw/zinc/51/55/14/349515514.db2.gz USJUBIPKXJEGIG-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000337463005 214097152 /nfs/dbraw/zinc/09/71/52/214097152.db2.gz KXHZAEPUBSIOJG-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273069744 192036397 /nfs/dbraw/zinc/03/63/97/192036397.db2.gz NCLBJLFEKRQPAQ-CVEARBPZSA-N 1 3 290.451 3.386 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644387 398261329 /nfs/dbraw/zinc/26/13/29/398261329.db2.gz PSSOVKFLUSFBRI-YOEHRIQHSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@H]1C[C@@H](N(C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644387 398261334 /nfs/dbraw/zinc/26/13/34/398261334.db2.gz PSSOVKFLUSFBRI-YOEHRIQHSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccccc1F ZINC000125278520 187177761 /nfs/dbraw/zinc/17/77/61/187177761.db2.gz DQBCQNQSKLHIJX-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000651864997 398298013 /nfs/dbraw/zinc/29/80/13/398298013.db2.gz KOTSJSABYVCZCI-FGTMMUONSA-N 1 3 296.499 3.149 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC000651910877 398305437 /nfs/dbraw/zinc/30/54/37/398305437.db2.gz PMWRLIWVFXRENE-ZWKOTPCHSA-N 1 3 272.436 3.315 20 0 CGADHO C[NH2+]CC1CCN(C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000261942981 290640573 /nfs/dbraw/zinc/64/05/73/290640573.db2.gz MZKDKCVUWHXMIR-ZDUSSCGKSA-N 1 3 280.843 3.375 20 0 CGADHO CCc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2ccccc2n1 ZINC000125550069 187190564 /nfs/dbraw/zinc/19/05/64/187190564.db2.gz XNBCHUWTTQSUOB-MRXNPFEDSA-N 1 3 293.414 3.248 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463216 529425257 /nfs/dbraw/zinc/42/52/57/529425257.db2.gz YYZPDYFMEMPBGK-ZWKOTPCHSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@@H+](CCCN)Cc2ccccc2)CCO1 ZINC000359463216 529425259 /nfs/dbraw/zinc/42/52/59/529425259.db2.gz YYZPDYFMEMPBGK-ZWKOTPCHSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@@H]1C[C@@H](CN(CCC[NH3+])Cc2ccccc2)CCO1 ZINC000359463216 529425260 /nfs/dbraw/zinc/42/52/60/529425260.db2.gz YYZPDYFMEMPBGK-ZWKOTPCHSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(CCOc2ccccc2)CC1 ZINC000590786690 346875911 /nfs/dbraw/zinc/87/59/11/346875911.db2.gz MMWKZUZTCCQLDN-UHFFFAOYSA-N 1 3 290.451 3.118 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(CCOc2ccccc2)CC1 ZINC000590786690 346875913 /nfs/dbraw/zinc/87/59/13/346875913.db2.gz MMWKZUZTCCQLDN-UHFFFAOYSA-N 1 3 290.451 3.118 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CCO1 ZINC000449171428 529430190 /nfs/dbraw/zinc/43/01/90/529430190.db2.gz AELBPYVBSYEJKH-FUHWJXTLSA-N 1 3 294.483 3.331 20 0 CGADHO CN1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000125654569 187194889 /nfs/dbraw/zinc/19/48/89/187194889.db2.gz AMTHNJPBLGKLDZ-MQVJKMGUSA-N 1 3 280.362 3.070 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423457064 529453360 /nfs/dbraw/zinc/45/33/60/529453360.db2.gz FFVFGXZXMJVYDU-PWSUYJOCSA-N 1 3 252.427 3.015 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000125787323 187200453 /nfs/dbraw/zinc/20/04/53/187200453.db2.gz WCGYZLMVIVQTOH-CRAIPNDOSA-N 1 3 272.436 3.384 20 0 CGADHO CC[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1OC ZINC000414172523 529605864 /nfs/dbraw/zinc/60/58/64/529605864.db2.gz FJYGDUYSPAOEAU-WBVHZDCISA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172523 529605868 /nfs/dbraw/zinc/60/58/68/529605868.db2.gz FJYGDUYSPAOEAU-WBVHZDCISA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@H]1C[C@@H]1C ZINC000414081524 529631884 /nfs/dbraw/zinc/63/18/84/529631884.db2.gz UIFPWABXFLTUSQ-XIRDDKMYSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)c1cccs1 ZINC000423321938 529616769 /nfs/dbraw/zinc/61/67/69/529616769.db2.gz GQDBVKQKQBBCEY-JSGCOSHPSA-N 1 3 252.427 3.179 20 0 CGADHO CN1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)CC1(C)C ZINC000623358575 349788516 /nfs/dbraw/zinc/78/85/16/349788516.db2.gz GURKDJSTKCAMOI-CQSZACIVSA-N 1 3 272.392 3.395 20 0 CGADHO CC(C)c1nc(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623396487 349797602 /nfs/dbraw/zinc/79/76/02/349797602.db2.gz UGGGPDIECXYQIL-ZDUSSCGKSA-N 1 3 295.496 3.271 20 0 CGADHO CC(C)c1nc(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000623396487 349797603 /nfs/dbraw/zinc/79/76/03/349797603.db2.gz UGGGPDIECXYQIL-ZDUSSCGKSA-N 1 3 295.496 3.271 20 0 CGADHO CCOc1ccccc1CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405357 349800755 /nfs/dbraw/zinc/80/07/55/349800755.db2.gz DEUFWTNIGPKVTG-INIZCTEOSA-N 1 3 290.451 3.090 20 0 CGADHO CCOc1ccccc1CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405357 349800758 /nfs/dbraw/zinc/80/07/58/349800758.db2.gz DEUFWTNIGPKVTG-INIZCTEOSA-N 1 3 290.451 3.090 20 0 CGADHO CCc1ccc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000414182467 529721433 /nfs/dbraw/zinc/72/14/33/529721433.db2.gz NHIFKHVPXFXGMQ-UONOGXRCSA-N 1 3 264.413 3.225 20 0 CGADHO CCc1ccc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000414182467 529721434 /nfs/dbraw/zinc/72/14/34/529721434.db2.gz NHIFKHVPXFXGMQ-UONOGXRCSA-N 1 3 264.413 3.225 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423270262 529722110 /nfs/dbraw/zinc/72/21/10/529722110.db2.gz HZTMZSAVHMXNPI-OUCADQQQSA-N 1 3 266.454 3.479 20 0 CGADHO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)s1 ZINC000423270262 529722112 /nfs/dbraw/zinc/72/21/12/529722112.db2.gz HZTMZSAVHMXNPI-OUCADQQQSA-N 1 3 266.454 3.479 20 0 CGADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506337 349823164 /nfs/dbraw/zinc/82/31/64/349823164.db2.gz NZFAVPNZVORNGB-HZPDHXFCSA-N 1 3 294.483 3.331 20 0 CGADHO C[N@H+]1CC[C@@H](NC[C@H]2CCC3(CCCCC3)O2)CC1(C)C ZINC000623506337 349823168 /nfs/dbraw/zinc/82/31/68/349823168.db2.gz NZFAVPNZVORNGB-HZPDHXFCSA-N 1 3 294.483 3.331 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623607071 349848390 /nfs/dbraw/zinc/84/83/90/349848390.db2.gz VSSCMRAMPIZSRW-BDXSIMOUSA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623607071 349848393 /nfs/dbraw/zinc/84/83/93/349848393.db2.gz VSSCMRAMPIZSRW-BDXSIMOUSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656862 349858010 /nfs/dbraw/zinc/85/80/10/349858010.db2.gz DKJFYLWDTDWPDR-GOEBONIOSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C)c1ccc(F)cc1C(F)(F)F ZINC000623850084 349895382 /nfs/dbraw/zinc/89/53/82/349895382.db2.gz XLLJLYGTNCFLBJ-SNVBAGLBSA-N 1 3 292.320 3.447 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000423285281 529985964 /nfs/dbraw/zinc/98/59/64/529985964.db2.gz ZHSFUGYKVQSNGP-PBHICJAKSA-N 1 3 260.425 3.363 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255483 529986018 /nfs/dbraw/zinc/98/60/18/529986018.db2.gz AFOGPAYHFRVPCB-WISYIIOYSA-N 1 3 286.872 3.339 20 0 CGADHO CNC[C@@H](C)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423255483 529986019 /nfs/dbraw/zinc/98/60/19/529986019.db2.gz AFOGPAYHFRVPCB-WISYIIOYSA-N 1 3 286.872 3.339 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423269516 529999344 /nfs/dbraw/zinc/99/93/44/529999344.db2.gz HBOKSCIBBSWGJO-JGGQBBKZSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423269516 529999347 /nfs/dbraw/zinc/99/93/47/529999347.db2.gz HBOKSCIBBSWGJO-JGGQBBKZSA-N 1 3 280.843 3.421 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000032147839 344929702 /nfs/dbraw/zinc/92/97/02/344929702.db2.gz OONVDEHFWFIQCJ-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2cccc3ccccc32)C1 ZINC000044535787 345012828 /nfs/dbraw/zinc/01/28/28/345012828.db2.gz OKFRTKJFWMOCMY-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2cccc3ccccc32)C1 ZINC000044535787 345012829 /nfs/dbraw/zinc/01/28/29/345012829.db2.gz OKFRTKJFWMOCMY-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957648 349927896 /nfs/dbraw/zinc/92/78/96/349927896.db2.gz PMJIANQKIKRRQG-UIBIWLFHSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957648 349927901 /nfs/dbraw/zinc/92/79/01/349927901.db2.gz PMJIANQKIKRRQG-UIBIWLFHSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCCCO1 ZINC000623957648 349927905 /nfs/dbraw/zinc/92/79/05/349927905.db2.gz PMJIANQKIKRRQG-UIBIWLFHSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)c(F)c1 ZINC000096543580 232181476 /nfs/dbraw/zinc/18/14/76/232181476.db2.gz VZBLAPFAPZOIFR-NSHDSACASA-N 1 3 270.367 3.203 20 0 CGADHO c1ccc(CC2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000090581179 345790859 /nfs/dbraw/zinc/79/08/59/345790859.db2.gz QAMVPCOXXJEHBK-ZWKOTPCHSA-N 1 3 284.447 3.226 20 0 CGADHO c1ccc(CC2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000090581179 345790860 /nfs/dbraw/zinc/79/08/60/345790860.db2.gz QAMVPCOXXJEHBK-ZWKOTPCHSA-N 1 3 284.447 3.226 20 0 CGADHO CS[C@@H](C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000090726127 345793329 /nfs/dbraw/zinc/79/33/29/345793329.db2.gz CJACFKHBFHDRMT-ZDUSSCGKSA-N 1 3 270.486 3.125 20 0 CGADHO CS[C@@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090726127 345793331 /nfs/dbraw/zinc/79/33/31/345793331.db2.gz CJACFKHBFHDRMT-ZDUSSCGKSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc2ccccc2c1 ZINC000124547437 346013123 /nfs/dbraw/zinc/01/31/23/346013123.db2.gz DBVKZAOOMAFEMC-DYVFJYSZSA-N 1 3 254.377 3.151 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000157383331 346161174 /nfs/dbraw/zinc/16/11/74/346161174.db2.gz OEAZFAKKNUNPBW-HOCLYGCPSA-N 1 3 278.415 3.077 20 0 CGADHO COC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000165875909 346185638 /nfs/dbraw/zinc/18/56/38/346185638.db2.gz GENDAWURAZGUKX-QGZVFWFLSA-N 1 3 282.472 3.044 20 0 CGADHO COC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000165875909 346185639 /nfs/dbraw/zinc/18/56/39/346185639.db2.gz GENDAWURAZGUKX-QGZVFWFLSA-N 1 3 282.472 3.044 20 0 CGADHO CC1CCC([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000236690182 346342260 /nfs/dbraw/zinc/34/22/60/346342260.db2.gz KYBCLEAVGLZBTD-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO CCN(CC)CCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000588176965 346754544 /nfs/dbraw/zinc/75/45/44/346754544.db2.gz VQERYRCNYXKLLY-PEZBUJJGSA-N 1 3 260.425 3.411 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000351866789 219231856 /nfs/dbraw/zinc/23/18/56/219231856.db2.gz VSPSRBPAHJZLIN-KBXCAEBGSA-N 1 3 268.404 3.051 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624120096 349977651 /nfs/dbraw/zinc/97/76/51/349977651.db2.gz RGHIRDAEJSNEDH-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C12CCCC2 ZINC000624122258 349979844 /nfs/dbraw/zinc/97/98/44/349979844.db2.gz NFLOSRGQJSEXNH-IXDOHACOSA-N 1 3 294.483 3.046 20 0 CGADHO CCSCC[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000602728014 348019095 /nfs/dbraw/zinc/01/90/95/348019095.db2.gz HDZHAKQDDOKZMS-NVXWUHKLSA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602728014 348019098 /nfs/dbraw/zinc/01/90/98/348019098.db2.gz HDZHAKQDDOKZMS-NVXWUHKLSA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602728014 348019099 /nfs/dbraw/zinc/01/90/99/348019099.db2.gz HDZHAKQDDOKZMS-NVXWUHKLSA-N 1 3 292.492 3.097 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120955 349978526 /nfs/dbraw/zinc/97/85/26/349978526.db2.gz KQBYRZFKEQABIZ-ZIAGYGMSSA-N 1 3 266.454 3.001 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000624122465 349981873 /nfs/dbraw/zinc/98/18/73/349981873.db2.gz RTZYIERQEHXFPE-FHERZECASA-N 1 3 290.426 3.393 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000624122465 349981877 /nfs/dbraw/zinc/98/18/77/349981877.db2.gz RTZYIERQEHXFPE-FHERZECASA-N 1 3 290.426 3.393 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000624122465 349981879 /nfs/dbraw/zinc/98/18/79/349981879.db2.gz RTZYIERQEHXFPE-FHERZECASA-N 1 3 290.426 3.393 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC000624122325 349982127 /nfs/dbraw/zinc/98/21/27/349982127.db2.gz OKVDLIIRTREZGC-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC000624122325 349982128 /nfs/dbraw/zinc/98/21/28/349982128.db2.gz OKVDLIIRTREZGC-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000624122325 349982130 /nfs/dbraw/zinc/98/21/30/349982130.db2.gz OKVDLIIRTREZGC-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(CCSC3CCCCC3)C2)C1 ZINC000339440047 215173805 /nfs/dbraw/zinc/17/38/05/215173805.db2.gz VXBNYSYVXMQROE-KRWDZBQOSA-N 1 3 296.524 3.470 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(CCSC3CCCCC3)C2)C1 ZINC000339440047 215173808 /nfs/dbraw/zinc/17/38/08/215173808.db2.gz VXBNYSYVXMQROE-KRWDZBQOSA-N 1 3 296.524 3.470 20 0 CGADHO CSCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000611526290 348458784 /nfs/dbraw/zinc/45/87/84/348458784.db2.gz GTGZBRRKGRXSPU-OSYLJGHBSA-N 1 3 290.476 3.135 20 0 CGADHO CSCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000611526290 348458787 /nfs/dbraw/zinc/45/87/87/348458787.db2.gz GTGZBRRKGRXSPU-OSYLJGHBSA-N 1 3 290.476 3.135 20 0 CGADHO COc1ccsc1CNCCCCC[NH+]1CCCC1 ZINC000339498860 215211756 /nfs/dbraw/zinc/21/17/56/215211756.db2.gz WLDSKXWPFLRASB-UHFFFAOYSA-N 1 3 282.453 3.112 20 0 CGADHO Cc1cc(C)cc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000620754647 349421409 /nfs/dbraw/zinc/42/14/09/349421409.db2.gz LMOVXCPCOYQMPC-UHFFFAOYSA-N 1 3 272.436 3.267 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271346832 191086256 /nfs/dbraw/zinc/08/62/56/191086256.db2.gz XVIVQFWFPLDMHB-HUUCEWRRSA-N 1 3 276.399 3.099 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271346832 191086259 /nfs/dbraw/zinc/08/62/59/191086259.db2.gz XVIVQFWFPLDMHB-HUUCEWRRSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359748 191094842 /nfs/dbraw/zinc/09/48/42/191094842.db2.gz ZUHQDAWKPGLCFO-WBVHZDCISA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271359748 191094844 /nfs/dbraw/zinc/09/48/44/191094844.db2.gz ZUHQDAWKPGLCFO-WBVHZDCISA-N 1 3 276.399 3.099 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280856 350476726 /nfs/dbraw/zinc/47/67/26/350476726.db2.gz MIEQSVRIWDDHIA-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280856 350476729 /nfs/dbraw/zinc/47/67/29/350476729.db2.gz MIEQSVRIWDDHIA-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280856 350476731 /nfs/dbraw/zinc/47/67/31/350476731.db2.gz MIEQSVRIWDDHIA-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280856 350476733 /nfs/dbraw/zinc/47/67/33/350476733.db2.gz MIEQSVRIWDDHIA-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000629531206 350704410 /nfs/dbraw/zinc/70/44/10/350704410.db2.gz DFSWLCJYIKTUFF-VGWMRTNUSA-N 1 3 270.461 3.076 20 0 CGADHO C[C@]1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H]2C[C@H]2C1 ZINC000629537068 350705598 /nfs/dbraw/zinc/70/55/98/350705598.db2.gz JOOYBLJBHSPHGT-NCZBFZFDSA-N 1 3 256.393 3.157 20 0 CGADHO C[C@H](NCCOCCC[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000629542182 350707740 /nfs/dbraw/zinc/70/77/40/350707740.db2.gz WLCYDXUZVZXPRK-JTQLQIEISA-N 1 3 291.222 3.009 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccnc(-c2ccccc2)c1 ZINC000629549790 350711130 /nfs/dbraw/zinc/71/11/30/350711130.db2.gz ICTIVQXGPSMKPA-ZWKOTPCHSA-N 1 3 295.430 3.356 20 0 CGADHO Clc1ccc2c(c1)[C@@H](N[C@H]1CCC[NH2+]CC1)CCC2 ZINC000629549169 350711417 /nfs/dbraw/zinc/71/14/17/350711417.db2.gz QWTSVCLTIGLTGJ-HOCLYGCPSA-N 1 3 278.827 3.449 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000629554650 350711812 /nfs/dbraw/zinc/71/18/12/350711812.db2.gz LVWFWHDRFAFVHZ-JSGCOSHPSA-N 1 3 273.424 3.080 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC23CC3)c2ccccc21 ZINC000629554541 350711827 /nfs/dbraw/zinc/71/18/27/350711827.db2.gz KNJLKFQTWVPZCI-WQVCFCJDSA-N 1 3 256.393 3.301 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000629556177 350712679 /nfs/dbraw/zinc/71/26/79/350712679.db2.gz MAAHOMNRDJIMBO-STQMWFEESA-N 1 3 291.826 3.223 20 0 CGADHO c1cc(C[N@@H+]2CCCC3(CC3)CC2)c2c(c1)CNCC2 ZINC000629586214 350714915 /nfs/dbraw/zinc/71/49/15/350714915.db2.gz MREBXUIGCPYBGQ-UHFFFAOYSA-N 1 3 270.420 3.098 20 0 CGADHO c1cc(C[N@H+]2CCCC3(CC3)CC2)c2c(c1)CNCC2 ZINC000629586214 350714919 /nfs/dbraw/zinc/71/49/19/350714919.db2.gz MREBXUIGCPYBGQ-UHFFFAOYSA-N 1 3 270.420 3.098 20 0 CGADHO Cc1cccc2c1C[C@H]([NH2+][C@H]1C[C@@H](N)c3ccccc31)CO2 ZINC000629516010 350699781 /nfs/dbraw/zinc/69/97/81/350699781.db2.gz YYMUEVVVADQHQO-VHSSKADRSA-N 1 3 294.398 3.033 20 0 CGADHO CCC[C@H](C)CCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516363 350699797 /nfs/dbraw/zinc/69/97/97/350699797.db2.gz BPDPTKHXWPWZBD-LSVZVQIISA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629513118 350699879 /nfs/dbraw/zinc/69/98/79/350699879.db2.gz DXRUOMFYIZOFAI-QMCVQRASSA-N 1 3 272.436 3.156 20 0 CGADHO CC(C)Cc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629525214 350701339 /nfs/dbraw/zinc/70/13/39/350701339.db2.gz YTBKUPBMXVUJJN-OAHLLOKOSA-N 1 3 290.451 3.044 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CNCC2=Cc3ccccc3OC2)cc1 ZINC000629647619 350729950 /nfs/dbraw/zinc/72/99/50/350729950.db2.gz BOMKQWJYMGPCHO-CQSZACIVSA-N 1 3 294.398 3.272 20 0 CGADHO CC[NH+]1CCC(CCNCc2ccc(C(F)F)nc2)CC1 ZINC000631079196 350945951 /nfs/dbraw/zinc/94/59/51/350945951.db2.gz NHYKYRWPEKQCDJ-UHFFFAOYSA-N 1 3 297.393 3.231 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000631651528 351106421 /nfs/dbraw/zinc/10/64/21/351106421.db2.gz KTUCEEDWIFCKCS-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631576419 351074236 /nfs/dbraw/zinc/07/42/36/351074236.db2.gz AECHUKNJKOMSIF-CRAIPNDOSA-N 1 3 287.451 3.169 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733724 351579631 /nfs/dbraw/zinc/57/96/31/351579631.db2.gz MCPZTCCFCQTOKR-CVEARBPZSA-N 1 3 292.854 3.175 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000634733724 351579633 /nfs/dbraw/zinc/57/96/33/351579633.db2.gz MCPZTCCFCQTOKR-CVEARBPZSA-N 1 3 292.854 3.175 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999729 351621002 /nfs/dbraw/zinc/62/10/02/351621002.db2.gz YKFDXVJDUVQLMJ-CHWSQXEVSA-N 1 3 272.392 3.022 20 0 CGADHO CCc1oc2ccccc2c1C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999729 351621004 /nfs/dbraw/zinc/62/10/04/351621004.db2.gz YKFDXVJDUVQLMJ-CHWSQXEVSA-N 1 3 272.392 3.022 20 0 CGADHO CCc1oc2ccccc2c1C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999729 351621005 /nfs/dbraw/zinc/62/10/05/351621005.db2.gz YKFDXVJDUVQLMJ-CHWSQXEVSA-N 1 3 272.392 3.022 20 0 CGADHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635006301 351624520 /nfs/dbraw/zinc/62/45/20/351624520.db2.gz LJYYYOMDCGYLGA-RGIVZKHGSA-N 1 3 299.462 3.096 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635009853 351628195 /nfs/dbraw/zinc/62/81/95/351628195.db2.gz WPLRDVHEBCABDJ-WMLDXEAASA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H]([NH2+]C1CC(C)C1)c1ccc(OCCN(C)C)cc1 ZINC000271458462 191151068 /nfs/dbraw/zinc/15/10/68/191151068.db2.gz HJEKAGQEJUWMCU-BBBYJDLNSA-N 1 3 276.424 3.076 20 0 CGADHO COCC(C)(C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411229324 235039154 /nfs/dbraw/zinc/03/91/54/235039154.db2.gz NOGVDTKTJPRRER-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO CN1CC=C(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000271795740 191331829 /nfs/dbraw/zinc/33/18/29/191331829.db2.gz HYSRXINLBJIQDY-UHFFFAOYSA-N 1 3 293.414 3.100 20 0 CGADHO C[N@H+]1CC=C(CN[C@H]2CCSc3ccccc32)CC1 ZINC000271888173 191391657 /nfs/dbraw/zinc/39/16/57/191391657.db2.gz REOCPVBAFAUTQG-HNNXBMFYSA-N 1 3 274.433 3.075 20 0 CGADHO C[N@@H+]1CC=C(CN[C@H]2CCSc3ccccc32)CC1 ZINC000271888173 191391659 /nfs/dbraw/zinc/39/16/59/191391659.db2.gz REOCPVBAFAUTQG-HNNXBMFYSA-N 1 3 274.433 3.075 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414825398 235474643 /nfs/dbraw/zinc/47/46/43/235474643.db2.gz SNXSZAZIKIIINQ-IJEWVQPXSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOC1CCCCC1 ZINC000093516529 138347345 /nfs/dbraw/zinc/34/73/45/138347345.db2.gz XBFFRHFQFJZNGZ-HZPDHXFCSA-N 1 3 282.472 3.236 20 0 CGADHO COc1ccc(CCCN(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000124990831 138379110 /nfs/dbraw/zinc/37/91/10/138379110.db2.gz HEPARBQYKYFZTP-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO COc1ccc(CCCN(C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000124990831 138379111 /nfs/dbraw/zinc/37/91/11/138379111.db2.gz HEPARBQYKYFZTP-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(C)CC1)c1cc2c(s1)CCC2 ZINC000126292627 138385658 /nfs/dbraw/zinc/38/56/58/138385658.db2.gz VXNUZXDSVXWJAR-GFCCVEGCSA-N 1 3 278.465 3.229 20 0 CGADHO Cc1cc2cc([C@@H](C)[NH2+][C@@H](CN)C3CC3)oc2cc1C ZINC000423279601 236020483 /nfs/dbraw/zinc/02/04/83/236020483.db2.gz RPXBQGKFZMWZSH-DOMZBBRYSA-N 1 3 272.392 3.438 20 0 CGADHO Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H](C)CN)ccc1Cl ZINC000423302643 236031247 /nfs/dbraw/zinc/03/12/47/236031247.db2.gz HPKGJDZQRJTOAN-JSGCOSHPSA-N 1 3 298.858 3.380 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423308550 236033171 /nfs/dbraw/zinc/03/31/71/236033171.db2.gz OTSVFYVHTMPIGL-KDOFPFPSSA-N 1 3 286.394 3.294 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCCC23CCCC3)CCCNC1 ZINC000423342420 236044392 /nfs/dbraw/zinc/04/43/92/236044392.db2.gz NBNAOKGYNCVQSU-CABCVRRESA-N 1 3 250.430 3.079 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423366105 236051221 /nfs/dbraw/zinc/05/12/21/236051221.db2.gz BNACDVKVRNQAJH-IPJQOSJUSA-N 1 3 276.399 3.309 20 0 CGADHO CCOc1ccc([C@H](CC)[NH2+][C@@H](C)[C@@H](C)N)cc1OCC ZINC000423453748 236074106 /nfs/dbraw/zinc/07/41/06/236074106.db2.gz YAPAVTLYKWEKDC-IPYPFGDCSA-N 1 3 294.439 3.260 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NCCCOc1ccc2ccccc2c1 ZINC000424334783 236152350 /nfs/dbraw/zinc/15/23/50/236152350.db2.gz OKEUFGOOWLLSHV-RTBURBONSA-N 1 3 298.430 3.468 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422821748 283479291 /nfs/dbraw/zinc/47/92/91/283479291.db2.gz YFMIJKOFBXQSRO-RNJOBUHISA-N 1 3 278.362 3.072 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000423081104 283503305 /nfs/dbraw/zinc/50/33/05/283503305.db2.gz BEHDUJRDGGSZAD-COXVUDFISA-N 1 3 276.399 3.310 20 0 CGADHO C[C@@H]([NH2+]CC1CCC1)c1cccc(OCCN(C)C)c1 ZINC000177774457 189068688 /nfs/dbraw/zinc/06/86/88/189068688.db2.gz GIIHWKZJSZEMSR-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](COC)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177979893 189083280 /nfs/dbraw/zinc/08/32/80/189083280.db2.gz MWXWYQMIHITCBE-QGZVFWFLSA-N 1 3 278.440 3.041 20 0 CGADHO CC[C@H](COC)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979893 189083281 /nfs/dbraw/zinc/08/32/81/189083281.db2.gz MWXWYQMIHITCBE-QGZVFWFLSA-N 1 3 278.440 3.041 20 0 CGADHO CC[C@@H]([NH2+]CCCN(C)C)c1ccccc1OC(F)F ZINC000178115238 189091751 /nfs/dbraw/zinc/09/17/51/189091751.db2.gz QNNZLJJUOQZMGC-CYBMUJFWSA-N 1 3 286.366 3.280 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC000178255796 189100709 /nfs/dbraw/zinc/10/07/09/189100709.db2.gz JPLLICHYCAUFDS-LBPRGKRZSA-N 1 3 294.389 3.490 20 0 CGADHO C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(OCCN(C)C)c1 ZINC000178364408 189110540 /nfs/dbraw/zinc/11/05/40/189110540.db2.gz KBYCVQBZGZCRKZ-ZIAGYGMSSA-N 1 3 276.424 3.076 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000422932425 296020842 /nfs/dbraw/zinc/02/08/42/296020842.db2.gz FSARDSYSYKRMTI-KGLIPLIRSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccc2ccccc21 ZINC000422932425 296020845 /nfs/dbraw/zinc/02/08/45/296020845.db2.gz FSARDSYSYKRMTI-KGLIPLIRSA-N 1 3 256.393 3.098 20 0 CGADHO CC[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240420 189291706 /nfs/dbraw/zinc/29/17/06/189291706.db2.gz OOLXYAUBXAAGPR-ZACQAIPSSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240420 189291707 /nfs/dbraw/zinc/29/17/07/189291707.db2.gz OOLXYAUBXAAGPR-ZACQAIPSSA-N 1 3 290.451 3.225 20 0 CGADHO C[C@@H](NC/C=C/C[NH2+][C@H](C)c1ccccn1)c1ccccn1 ZINC000181786979 189306550 /nfs/dbraw/zinc/30/65/50/189306550.db2.gz BJZTXHSDFGVCRW-XLBHYRNJSA-N 1 3 296.418 3.034 20 0 CGADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(CO)c1 ZINC000183287873 189353546 /nfs/dbraw/zinc/35/35/46/189353546.db2.gz PVYKDPPEVNXLOC-AWEZNQCLSA-N 1 3 290.451 3.092 20 0 CGADHO c1c2cccnc2oc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000449012152 239108932 /nfs/dbraw/zinc/10/89/32/239108932.db2.gz ZBFHMWIBHLZFIW-UHFFFAOYSA-N 1 3 299.418 3.136 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675485 193102567 /nfs/dbraw/zinc/10/25/67/193102567.db2.gz GOWDRGYWVMYACG-CABCVRRESA-N 1 3 278.415 3.203 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000275675485 193102569 /nfs/dbraw/zinc/10/25/69/193102569.db2.gz GOWDRGYWVMYACG-CABCVRRESA-N 1 3 278.415 3.203 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459635979 242157746 /nfs/dbraw/zinc/15/77/46/242157746.db2.gz QTRWERUWMPDFER-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459635979 242157751 /nfs/dbraw/zinc/15/77/51/242157751.db2.gz QTRWERUWMPDFER-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(Cl)c2F)C1 ZINC000459732023 242195621 /nfs/dbraw/zinc/19/56/21/242195621.db2.gz LUQCSPXBOSTBIE-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(Cl)c2F)C1 ZINC000459732023 242195626 /nfs/dbraw/zinc/19/56/26/242195626.db2.gz LUQCSPXBOSTBIE-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Cl)c(F)c2)C1 ZINC000459747025 242209064 /nfs/dbraw/zinc/20/90/64/242209064.db2.gz ZNPGEORZWKSEOJ-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Cl)c(F)c2)C1 ZINC000459747025 242209074 /nfs/dbraw/zinc/20/90/74/242209074.db2.gz ZNPGEORZWKSEOJ-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H](NCC1(c2ccc(F)cc2)CCCCC1)C1C[NH2+]C1 ZINC000422760446 296120162 /nfs/dbraw/zinc/12/01/62/296120162.db2.gz LTPSADCFXDXMNR-CQSZACIVSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCCCC1)C1CNC1 ZINC000422760446 296120163 /nfs/dbraw/zinc/12/01/63/296120163.db2.gz LTPSADCFXDXMNR-CQSZACIVSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)CN)C1(c2ccccc2)CCCC1 ZINC000423313034 296127106 /nfs/dbraw/zinc/12/71/06/296127106.db2.gz WHGQZYJSWQYRFT-LSDHHAIUSA-N 1 3 260.425 3.071 20 0 CGADHO CC(C)C[C@H](NCCC1CC[NH+](C)CC1)c1ccccn1 ZINC000125295410 370934056 /nfs/dbraw/zinc/93/40/56/370934056.db2.gz HPTZPHWLWHGWOA-SFHVURJKSA-N 1 3 289.467 3.490 20 0 CGADHO c1ccc2c(c1)cccc2CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994847 368922346 /nfs/dbraw/zinc/92/23/46/368922346.db2.gz UJYVUFHDIBSGTJ-SFHVURJKSA-N 1 3 266.388 3.025 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037649201 369095816 /nfs/dbraw/zinc/09/58/16/369095816.db2.gz HJJDWXMUROFLLT-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649201 369095819 /nfs/dbraw/zinc/09/58/19/369095819.db2.gz HJJDWXMUROFLLT-CVEARBPZSA-N 1 3 272.436 3.438 20 0 CGADHO CCc1ccc([C@@H](C)NC2CC[NH+](CC)CC2)s1 ZINC000041632154 369195153 /nfs/dbraw/zinc/19/51/53/369195153.db2.gz CRSTXOCVFVWKAT-GFCCVEGCSA-N 1 3 266.454 3.445 20 0 CGADHO C[C@@H](NCCCC[NH+](C)C)c1ccccc1Br ZINC000045663394 369283947 /nfs/dbraw/zinc/28/39/47/369283947.db2.gz KMJXCNXOXSOUAY-GFCCVEGCSA-N 1 3 299.256 3.442 20 0 CGADHO C1=CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000227381513 189784738 /nfs/dbraw/zinc/78/47/38/189784738.db2.gz VZAILKVYXCQZGU-LUKYLMHMSA-N 1 3 262.441 3.243 20 0 CGADHO CC(C)Oc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000128988311 370970598 /nfs/dbraw/zinc/97/05/98/370970598.db2.gz XUDAELKEWDJOKT-VYDXJSESSA-N 1 3 290.451 3.292 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)s1 ZINC000062078137 369617546 /nfs/dbraw/zinc/61/75/46/369617546.db2.gz DBTOJQRLALLJSY-JSGCOSHPSA-N 1 3 266.454 3.439 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)s1 ZINC000084216972 370012215 /nfs/dbraw/zinc/01/22/15/370012215.db2.gz SLYCNLLDJICBIM-ONGXEEELSA-N 1 3 258.818 3.009 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(Cl)s1 ZINC000084216966 370012481 /nfs/dbraw/zinc/01/24/81/370012481.db2.gz SLYCNLLDJICBIM-MWLCHTKSSA-N 1 3 258.818 3.009 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513203896 245068301 /nfs/dbraw/zinc/06/83/01/245068301.db2.gz MDNCJTXLMFUNMO-NJAFHUGGSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513203896 245068305 /nfs/dbraw/zinc/06/83/05/245068305.db2.gz MDNCJTXLMFUNMO-NJAFHUGGSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580285 370992789 /nfs/dbraw/zinc/99/27/89/370992789.db2.gz PMPWWEDNFZUPIF-TYNCELHUSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000129580285 370992795 /nfs/dbraw/zinc/99/27/95/370992795.db2.gz PMPWWEDNFZUPIF-TYNCELHUSA-N 1 3 266.816 3.473 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000119063960 370640630 /nfs/dbraw/zinc/64/06/30/370640630.db2.gz UDFGIFQVWRAGHZ-MRXNPFEDSA-N 1 3 294.414 3.011 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000119063960 370640633 /nfs/dbraw/zinc/64/06/33/370640633.db2.gz UDFGIFQVWRAGHZ-MRXNPFEDSA-N 1 3 294.414 3.011 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851762 376205358 /nfs/dbraw/zinc/20/53/58/376205358.db2.gz QKSPKGNXDJXCOB-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000537851762 376205363 /nfs/dbraw/zinc/20/53/63/376205363.db2.gz QKSPKGNXDJXCOB-ULQDDVLXSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152435957 371696037 /nfs/dbraw/zinc/69/60/37/371696037.db2.gz COBQJAZNNLTSEP-QWHCGFSZSA-N 1 3 290.476 3.372 20 0 CGADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(s1)CCC2 ZINC000152435957 371696041 /nfs/dbraw/zinc/69/60/41/371696041.db2.gz COBQJAZNNLTSEP-QWHCGFSZSA-N 1 3 290.476 3.372 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc2cccnc12 ZINC000422558545 371749924 /nfs/dbraw/zinc/74/99/24/371749924.db2.gz BDETVWCTTAKELZ-JOQOYGCGSA-N 1 3 297.446 3.348 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cc(Cl)cc(Cl)c1 ZINC000422717013 371766011 /nfs/dbraw/zinc/76/60/11/371766011.db2.gz NYGXVVWCZDTKOM-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422717013 371766017 /nfs/dbraw/zinc/76/60/17/371766017.db2.gz NYGXVVWCZDTKOM-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422719039 371767794 /nfs/dbraw/zinc/76/77/94/371767794.db2.gz QQEFRTCJRCPSIX-RISCZKNCSA-N 1 3 287.234 3.253 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H](C)C[C@H](C)[NH3+])c1C ZINC000422732583 371772702 /nfs/dbraw/zinc/77/27/02/371772702.db2.gz AAOYIJHBQSAGFS-RYUDHWBXSA-N 1 3 273.424 3.309 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2CCC[C@H]2N)c1C ZINC000422741538 371777921 /nfs/dbraw/zinc/77/79/21/371777921.db2.gz OTCCGQDZMVVYBC-CVEARBPZSA-N 1 3 271.408 3.063 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422751443 371784324 /nfs/dbraw/zinc/78/43/24/371784324.db2.gz CPMKICKXJZSCBS-DOMZBBRYSA-N 1 3 282.428 3.025 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1csc2ccccc12 ZINC000422751815 371784971 /nfs/dbraw/zinc/78/49/71/371784971.db2.gz CZNGWGGMMWZXLD-DOMZBBRYSA-N 1 3 274.433 3.379 20 0 CGADHO Fc1ccc(SCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422753206 371785249 /nfs/dbraw/zinc/78/52/49/371785249.db2.gz FUIHUENZSDCUNW-YIONKMFJSA-N 1 3 294.439 3.181 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000422774531 371798766 /nfs/dbraw/zinc/79/87/66/371798766.db2.gz XJJXWXOARDJZLE-BXUZGUMPSA-N 1 3 284.856 3.149 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774531 371798772 /nfs/dbraw/zinc/79/87/72/371798772.db2.gz XJJXWXOARDJZLE-BXUZGUMPSA-N 1 3 284.856 3.149 20 0 CGADHO CO[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422779778 371800396 /nfs/dbraw/zinc/80/03/96/371800396.db2.gz GNGBTLLRWSFONB-VNQPRFMTSA-N 1 3 296.842 3.135 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000422781609 371802757 /nfs/dbraw/zinc/80/27/57/371802757.db2.gz LPAQKRABGPYJPP-VKJFTORMSA-N 1 3 290.451 3.167 20 0 CGADHO COc1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)c1 ZINC000422784967 371806201 /nfs/dbraw/zinc/80/62/01/371806201.db2.gz JDDVSNJFMBVSTK-OALUTQOASA-N 1 3 296.414 3.332 20 0 CGADHO C[C@H](OCCC[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422787790 371809035 /nfs/dbraw/zinc/80/90/35/371809035.db2.gz QKOXWHKTAVBEMC-SZMVWBNQSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@H](NCC1(c2ccc(Cl)cc2)CCCC1)C1C[NH2+]C1 ZINC000422876151 371850357 /nfs/dbraw/zinc/85/03/57/371850357.db2.gz FDBRTDLTRWLHNQ-ZDUSSCGKSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCCC1)C1CNC1 ZINC000422876151 371850360 /nfs/dbraw/zinc/85/03/60/371850360.db2.gz FDBRTDLTRWLHNQ-ZDUSSCGKSA-N 1 3 292.854 3.349 20 0 CGADHO CCCCOc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422895341 371859869 /nfs/dbraw/zinc/85/98/69/371859869.db2.gz FPVOFDPVQQUTTD-HUUCEWRRSA-N 1 3 278.440 3.123 20 0 CGADHO CCCCOc1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc1 ZINC000422895341 371859873 /nfs/dbraw/zinc/85/98/73/371859873.db2.gz FPVOFDPVQQUTTD-HUUCEWRRSA-N 1 3 278.440 3.123 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cc2ccccc2s1 ZINC000422900508 371860647 /nfs/dbraw/zinc/86/06/47/371860647.db2.gz JLQGCOPLUOZFJL-DOMZBBRYSA-N 1 3 274.433 3.379 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422899608 371861063 /nfs/dbraw/zinc/86/10/63/371861063.db2.gz HVMPLWBNFQUKCH-DLBZAZTESA-N 1 3 272.436 3.276 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)Cc1ccccc1 ZINC000422911623 371862898 /nfs/dbraw/zinc/86/28/98/371862898.db2.gz LFYDXHRPUMEDKD-IRXDYDNUSA-N 1 3 274.452 3.362 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCNC2)C12CCCCC2 ZINC000422917423 371868107 /nfs/dbraw/zinc/86/81/07/371868107.db2.gz DTQOJVRQXFIDNO-WCXIOVBPSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1cccc(Cl)c1 ZINC000422919134 371869724 /nfs/dbraw/zinc/86/97/24/371869724.db2.gz JNEQQEQNGWLMSX-IOASZLSFSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422919134 371869733 /nfs/dbraw/zinc/86/97/33/371869733.db2.gz JNEQQEQNGWLMSX-IOASZLSFSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](C)c1c(F)cccc1Cl ZINC000422918556 371869969 /nfs/dbraw/zinc/86/99/69/371869969.db2.gz HOERRMJBXVIOEL-NXEZZACHSA-N 1 3 258.768 3.257 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422948548 371886535 /nfs/dbraw/zinc/88/65/35/371886535.db2.gz SICXAVLECJIAGT-BBRMVZONSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccc2ccccc21 ZINC000422932426 371878522 /nfs/dbraw/zinc/87/85/22/371878522.db2.gz FSARDSYSYKRMTI-UONOGXRCSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCc1cccc2ccccc21 ZINC000422932426 371878527 /nfs/dbraw/zinc/87/85/27/371878527.db2.gz FSARDSYSYKRMTI-UONOGXRCSA-N 1 3 256.393 3.098 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422845129 371837920 /nfs/dbraw/zinc/83/79/20/371837920.db2.gz NNNZZPKSQPWOND-SJORKVTESA-N 1 3 290.426 3.497 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000422849835 371839048 /nfs/dbraw/zinc/83/90/48/371839048.db2.gz MKLDJJKZZZFQRA-MQYQWHSLSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422849835 371839054 /nfs/dbraw/zinc/83/90/54/371839054.db2.gz MKLDJJKZZZFQRA-MQYQWHSLSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(-c2cccnc2)c1 ZINC000423051352 371936104 /nfs/dbraw/zinc/93/61/04/371936104.db2.gz NTCILTDTABNFIA-HNAYVOBHSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1cccc(Cl)c1F ZINC000423052005 371936442 /nfs/dbraw/zinc/93/64/42/371936442.db2.gz PRKMEVGXEWQBIH-MNOVXSKESA-N 1 3 286.822 3.472 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423052005 371936447 /nfs/dbraw/zinc/93/64/47/371936447.db2.gz PRKMEVGXEWQBIH-MNOVXSKESA-N 1 3 286.822 3.472 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccccc1C(C)(C)C ZINC000422960474 371893462 /nfs/dbraw/zinc/89/34/62/371893462.db2.gz WNFITKPSHUYXQZ-UONOGXRCSA-N 1 3 278.440 3.078 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422967988 371894831 /nfs/dbraw/zinc/89/48/31/371894831.db2.gz QCZQOKFIUKUFSO-VQHPVUNQSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422977398 371899919 /nfs/dbraw/zinc/89/99/19/371899919.db2.gz KAIKWLLPRPERLA-PJSAGSTRSA-N 1 3 282.387 3.058 20 0 CGADHO C[C@@H](NCC(C)(C)c1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000423008824 371913969 /nfs/dbraw/zinc/91/39/69/371913969.db2.gz BDTRYTZIIXWSLD-CQSZACIVSA-N 1 3 288.479 3.459 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)c1ccc(C(C)(C)C)cc1)C1CNC1 ZINC000423008824 371913978 /nfs/dbraw/zinc/91/39/78/371913978.db2.gz BDTRYTZIIXWSLD-CQSZACIVSA-N 1 3 288.479 3.459 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423033747 371926491 /nfs/dbraw/zinc/92/64/91/371926491.db2.gz ZWOQYSPMIGSNLI-BBRMVZONSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423033747 371926494 /nfs/dbraw/zinc/92/64/94/371926494.db2.gz ZWOQYSPMIGSNLI-BBRMVZONSA-N 1 3 292.854 3.349 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000423042451 371929168 /nfs/dbraw/zinc/92/91/68/371929168.db2.gz ZGDUEOUXPBOJQE-UKTARXLSSA-N 1 3 275.440 3.324 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093334 371958385 /nfs/dbraw/zinc/95/83/85/371958385.db2.gz HACUTFHPYYTWLK-DZRCGBNOSA-N 1 3 296.817 3.384 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093334 371958394 /nfs/dbraw/zinc/95/83/94/371958394.db2.gz HACUTFHPYYTWLK-DZRCGBNOSA-N 1 3 296.817 3.384 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423103654 371967265 /nfs/dbraw/zinc/96/72/65/371967265.db2.gz XSRGQINQYSSUKC-BASLNEPJSA-N 1 3 294.389 3.460 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)nc1 ZINC000423103236 371967316 /nfs/dbraw/zinc/96/73/16/371967316.db2.gz GAOYFAWWCUHVJC-BRWVUGGUSA-N 1 3 299.462 3.014 20 0 CGADHO CC1(c2ccccc2)CC([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423107473 371971216 /nfs/dbraw/zinc/97/12/16/371971216.db2.gz RZFZSBAZNCJAEY-YKWDICOMSA-N 1 3 272.436 3.214 20 0 CGADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCCC1 ZINC000423170525 372002188 /nfs/dbraw/zinc/00/21/88/372002188.db2.gz YBPJHBNJCBXALN-BRWVUGGUSA-N 1 3 294.483 3.094 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423127641 371981170 /nfs/dbraw/zinc/98/11/70/371981170.db2.gz JUPOYPBCAKOZAD-OTRWWLKZSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138087 371987277 /nfs/dbraw/zinc/98/72/77/371987277.db2.gz RZYYIOYUSNSDRO-DKIMLUQUSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000423069648 371945933 /nfs/dbraw/zinc/94/59/33/371945933.db2.gz FBPUZPZPIMERRZ-NXNVCVFFSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000423069650 371945990 /nfs/dbraw/zinc/94/59/90/371945990.db2.gz FBPUZPZPIMERRZ-OTRWWLKZSA-N 1 3 260.425 3.428 20 0 CGADHO CCCOc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC000423067508 371946115 /nfs/dbraw/zinc/94/61/15/371946115.db2.gz HJJFDVQGLCWBFD-KSSFIOAISA-N 1 3 290.451 3.262 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccccc1OC(F)F ZINC000423072235 371947550 /nfs/dbraw/zinc/94/75/50/371947550.db2.gz PMAGSGSBVWJQBU-ZIAGYGMSSA-N 1 3 298.377 3.080 20 0 CGADHO C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(Cl)cc1 ZINC000423077802 371949390 /nfs/dbraw/zinc/94/93/90/371949390.db2.gz UPSULHVSVSOGMB-WWGRRREGSA-N 1 3 296.842 3.085 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000423083642 371952009 /nfs/dbraw/zinc/95/20/09/371952009.db2.gz ZDTKMUVVLHXZLU-KBXCAEBGSA-N 1 3 272.436 3.432 20 0 CGADHO CC(C)[C@H]1C[C@@H](N[C@@H](C)[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423085011 371954124 /nfs/dbraw/zinc/95/41/24/371954124.db2.gz JNFXCAYBCJLXDQ-LBTBCDHLSA-N 1 3 272.436 3.459 20 0 CGADHO Cc1cscc1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423091137 371956807 /nfs/dbraw/zinc/95/68/07/371956807.db2.gz WSXGFQBFFREGRJ-LLVKDONJSA-N 1 3 275.421 3.069 20 0 CGADHO C[C@H](NC1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000423188264 372015314 /nfs/dbraw/zinc/01/53/14/372015314.db2.gz PXZKFVGUJUGURQ-RYUDHWBXSA-N 1 3 289.448 3.130 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)[C@H](C)c1nc2ccccc2s1 ZINC000423188264 372015319 /nfs/dbraw/zinc/01/53/19/372015319.db2.gz PXZKFVGUJUGURQ-RYUDHWBXSA-N 1 3 289.448 3.130 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423198686 372023740 /nfs/dbraw/zinc/02/37/40/372023740.db2.gz HFRAAZFIPLSSSD-RDJZCZTQSA-N 1 3 290.451 3.404 20 0 CGADHO Cc1ccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203309 372026682 /nfs/dbraw/zinc/02/66/82/372026682.db2.gz CEWHSMTWXKBVCV-YOEHRIQHSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@H]2CCCNC2)C2CC2)cc1 ZINC000423203309 372026687 /nfs/dbraw/zinc/02/66/87/372026687.db2.gz CEWHSMTWXKBVCV-YOEHRIQHSA-N 1 3 258.409 3.035 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620654 372030393 /nfs/dbraw/zinc/03/03/93/372030393.db2.gz XGKLURMCQHRHJJ-KSSFIOAISA-N 1 3 283.419 3.007 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620654 372030398 /nfs/dbraw/zinc/03/03/98/372030398.db2.gz XGKLURMCQHRHJJ-KSSFIOAISA-N 1 3 283.419 3.007 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccccc2)C1 ZINC000290665160 372035550 /nfs/dbraw/zinc/03/55/50/372035550.db2.gz ZXVORFREIFDGQP-JRFZXPOESA-N 1 3 270.420 3.116 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C/c2ccccc2)C1 ZINC000290665160 372035557 /nfs/dbraw/zinc/03/55/57/372035557.db2.gz ZXVORFREIFDGQP-JRFZXPOESA-N 1 3 270.420 3.116 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2N[C@H](C[NH3+])C1CC1 ZINC000423281307 372047918 /nfs/dbraw/zinc/04/79/18/372047918.db2.gz UEQYBFSTRXUNCA-HZPDHXFCSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000423388461 372057404 /nfs/dbraw/zinc/05/74/04/372057404.db2.gz NQEOJWHSCKAYQU-IIYDPXPESA-N 1 3 258.409 3.204 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000423181655 372011148 /nfs/dbraw/zinc/01/11/48/372011148.db2.gz LIRRCLGFSPEUNJ-NXEZZACHSA-N 1 3 289.345 3.088 20 0 CGADHO CSc1ccccc1[C@@H](C)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423504720 372070420 /nfs/dbraw/zinc/07/04/20/372070420.db2.gz GIFMFKGJWCFPBZ-XJKCOSOUSA-N 1 3 278.465 3.386 20 0 CGADHO CSc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423504720 372070424 /nfs/dbraw/zinc/07/04/24/372070424.db2.gz GIFMFKGJWCFPBZ-XJKCOSOUSA-N 1 3 278.465 3.386 20 0 CGADHO CSc1ccccc1[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000423504720 372070433 /nfs/dbraw/zinc/07/04/33/372070433.db2.gz GIFMFKGJWCFPBZ-XJKCOSOUSA-N 1 3 278.465 3.386 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423496203 372070726 /nfs/dbraw/zinc/07/07/26/372070726.db2.gz FZVDBLQWRMJDMX-BVGQSLNGSA-N 1 3 299.393 3.027 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000424296017 372081638 /nfs/dbraw/zinc/08/16/38/372081638.db2.gz RWSYLPRFLWVQCW-QLFBSQMISA-N 1 3 264.800 3.187 20 0 CGADHO CC(C)OCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158870725 372088119 /nfs/dbraw/zinc/08/81/19/372088119.db2.gz COEFKULUWLKLOR-QGZVFWFLSA-N 1 3 296.499 3.388 20 0 CGADHO CC(C)OCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158870725 372088125 /nfs/dbraw/zinc/08/81/25/372088125.db2.gz COEFKULUWLKLOR-QGZVFWFLSA-N 1 3 296.499 3.388 20 0 CGADHO C[C@H]([NH3+])C1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000430934667 372406255 /nfs/dbraw/zinc/40/62/55/372406255.db2.gz QGBYLZZYGVVNRC-NSHDSACASA-N 1 3 284.806 3.081 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000163194963 372453913 /nfs/dbraw/zinc/45/39/13/372453913.db2.gz ZPYWBCFGIIIWJR-ZFWWWQNUSA-N 1 3 260.425 3.153 20 0 CGADHO CC[C@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccncc1 ZINC000163622545 372482290 /nfs/dbraw/zinc/48/22/90/372482290.db2.gz IWZMIYXXBALLPV-KRWDZBQOSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000293746991 372467992 /nfs/dbraw/zinc/46/79/92/372467992.db2.gz XTSDTPHAKNNAAX-HOTGVXAUSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@@H](Cc1ccc(O)cc1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000293746991 372468003 /nfs/dbraw/zinc/46/80/03/372468003.db2.gz XTSDTPHAKNNAAX-HOTGVXAUSA-N 1 3 290.451 3.177 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccccc1Cl ZINC000166036435 372561529 /nfs/dbraw/zinc/56/15/29/372561529.db2.gz PDMHTBSWECKKIA-KBPBESRZSA-N 1 3 298.858 3.347 20 0 CGADHO c1cc2c(o1)CCC[C@H]2[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294121276 372588565 /nfs/dbraw/zinc/58/85/65/372588565.db2.gz DSSWUQIJJJAQLE-QGZVFWFLSA-N 1 3 297.402 3.311 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCCC2)cs1 ZINC000294191515 372609095 /nfs/dbraw/zinc/60/90/95/372609095.db2.gz KZOWNFZMKPVFPI-CYBMUJFWSA-N 1 3 252.427 3.193 20 0 CGADHO CCN(Cc1coc2ccccc12)[C@H]1CCC[NH2+]CC1 ZINC000435395320 372758765 /nfs/dbraw/zinc/75/87/65/372758765.db2.gz SEUTYEZRGHKTAZ-HNNXBMFYSA-N 1 3 272.392 3.397 20 0 CGADHO CCN(Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393068 372759233 /nfs/dbraw/zinc/75/92/33/372759233.db2.gz YPYKZFQBCVIQGM-QGZVFWFLSA-N 1 3 283.419 3.199 20 0 CGADHO CC[N@H+](CCc1ccc(C)cc1)[C@H]1CCCNCC1 ZINC000435611677 372784570 /nfs/dbraw/zinc/78/45/70/372784570.db2.gz BTJVJAZIILLBQJ-KRWDZBQOSA-N 1 3 260.425 3.002 20 0 CGADHO CC[N@@H+](CCc1ccc(C)cc1)[C@H]1CCCNCC1 ZINC000435611677 372784580 /nfs/dbraw/zinc/78/45/80/372784580.db2.gz BTJVJAZIILLBQJ-KRWDZBQOSA-N 1 3 260.425 3.002 20 0 CGADHO CCN(CCc1ccc(C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611677 372784587 /nfs/dbraw/zinc/78/45/87/372784587.db2.gz BTJVJAZIILLBQJ-KRWDZBQOSA-N 1 3 260.425 3.002 20 0 CGADHO CC[N@H+](CCCc1cccc(OC)c1)[C@H]1CCCNCC1 ZINC000435630142 372787474 /nfs/dbraw/zinc/78/74/74/372787474.db2.gz ZTSHIWHHXWNSSL-KRWDZBQOSA-N 1 3 290.451 3.092 20 0 CGADHO CC[N@@H+](CCCc1cccc(OC)c1)[C@H]1CCCNCC1 ZINC000435630142 372787488 /nfs/dbraw/zinc/78/74/88/372787488.db2.gz ZTSHIWHHXWNSSL-KRWDZBQOSA-N 1 3 290.451 3.092 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000344624553 217253503 /nfs/dbraw/zinc/25/35/03/217253503.db2.gz JDZKOKNIBUVGNW-DNVCBOLYSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624553 217253504 /nfs/dbraw/zinc/25/35/04/217253504.db2.gz JDZKOKNIBUVGNW-DNVCBOLYSA-N 1 3 295.430 3.321 20 0 CGADHO C[NH+](C)C1CCC(NCc2c(F)cccc2Cl)CC1 ZINC000353522463 220134739 /nfs/dbraw/zinc/13/47/39/220134739.db2.gz RKJJWOCTWFBFBG-UHFFFAOYSA-N 1 3 284.806 3.442 20 0 CGADHO CCC1([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000296265192 373072981 /nfs/dbraw/zinc/07/29/81/373072981.db2.gz DKHJHDLTXVYMEC-AWEZNQCLSA-N 1 3 276.424 3.220 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000443647328 373161395 /nfs/dbraw/zinc/16/13/95/373161395.db2.gz XOXNTXSOHLCENW-WMZOPIPTSA-N 1 3 294.483 3.021 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431905 373131248 /nfs/dbraw/zinc/13/12/48/373131248.db2.gz NGFNTXUVHRRWBG-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431905 373131252 /nfs/dbraw/zinc/13/12/52/373131252.db2.gz NGFNTXUVHRRWBG-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431905 373131258 /nfs/dbraw/zinc/13/12/58/373131258.db2.gz NGFNTXUVHRRWBG-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CCC2)C1 ZINC000173748588 373184296 /nfs/dbraw/zinc/18/42/96/373184296.db2.gz DRPXSHYOKYJIBM-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CCC2)C1 ZINC000173748588 373184302 /nfs/dbraw/zinc/18/43/02/373184302.db2.gz DRPXSHYOKYJIBM-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000173748588 373184313 /nfs/dbraw/zinc/18/43/13/373184313.db2.gz DRPXSHYOKYJIBM-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000173748588 373184320 /nfs/dbraw/zinc/18/43/20/373184320.db2.gz DRPXSHYOKYJIBM-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449084402 373661836 /nfs/dbraw/zinc/66/18/36/373661836.db2.gz XPWYZBVRVDPDLC-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000449477222 373765719 /nfs/dbraw/zinc/76/57/19/373765719.db2.gz OPXGWXOGTBELFI-CGTJXYLNSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1)OC ZINC000449477222 373765724 /nfs/dbraw/zinc/76/57/24/373765724.db2.gz OPXGWXOGTBELFI-CGTJXYLNSA-N 1 3 296.499 3.434 20 0 CGADHO COCCC[C@@H](C)[NH2+]CCCN(C)C1CCCCC1 ZINC000178499263 373784188 /nfs/dbraw/zinc/78/41/88/373784188.db2.gz OUWBGJIDWVQYGQ-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1cc(N2CCN(Cc3ccccc3)C(C)(C)C2)cc[nH+]1 ZINC000302604044 373903821 /nfs/dbraw/zinc/90/38/21/373903821.db2.gz ZGVGJLFGUCQFPS-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO CCC[C@@H](C)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180363246 373995672 /nfs/dbraw/zinc/99/56/72/373995672.db2.gz JWDSZMBANOHWTA-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000180363246 373995676 /nfs/dbraw/zinc/99/56/76/373995676.db2.gz JWDSZMBANOHWTA-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000180363246 373995679 /nfs/dbraw/zinc/99/56/79/373995679.db2.gz JWDSZMBANOHWTA-CVEARBPZSA-N 1 3 252.446 3.373 20 0 CGADHO C[N@H+](CCCN1CCCC1)C[C@H]1CCCCC1(F)F ZINC000450905330 374183998 /nfs/dbraw/zinc/18/39/98/374183998.db2.gz NSLOZPIYIMQABT-CQSZACIVSA-N 1 3 274.399 3.230 20 0 CGADHO C[N@@H+](CCCN1CCCC1)C[C@H]1CCCCC1(F)F ZINC000450905330 374184004 /nfs/dbraw/zinc/18/40/04/374184004.db2.gz NSLOZPIYIMQABT-CQSZACIVSA-N 1 3 274.399 3.230 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)CN(C)C ZINC000310228227 374209929 /nfs/dbraw/zinc/20/99/29/374209929.db2.gz IWLMWJFOMGWYCJ-JTQLQIEISA-N 1 3 275.223 3.281 20 0 CGADHO CC(C)[C@H](NC[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000310246804 374212609 /nfs/dbraw/zinc/21/26/09/374212609.db2.gz NAGAHBXBRRKIRV-RISCZKNCSA-N 1 3 254.805 3.222 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)s1)CN(C)C ZINC000310770706 374225133 /nfs/dbraw/zinc/22/51/33/374225133.db2.gz CRFUTRWPTVDHMH-GFCCVEGCSA-N 1 3 268.470 3.333 20 0 CGADHO COC1(C[NH2+]CCCN2CCCC[C@@H]2C)CCCCC1 ZINC000319703291 374347139 /nfs/dbraw/zinc/34/71/39/374347139.db2.gz SEDLDVVBFUQXAY-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO COC1(CNCCC[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000319703291 374347147 /nfs/dbraw/zinc/34/71/47/374347147.db2.gz SEDLDVVBFUQXAY-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO COC1(CNCCC[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000319703291 374347153 /nfs/dbraw/zinc/34/71/53/374347153.db2.gz SEDLDVVBFUQXAY-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185194456 374609253 /nfs/dbraw/zinc/60/92/53/374609253.db2.gz ZQSJLQUNRWFAAH-IAGOWNOFSA-N 1 3 296.499 3.289 20 0 CGADHO CC(C)OCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185666674 374708177 /nfs/dbraw/zinc/70/81/77/374708177.db2.gz XRSCQMAQZAZVNB-CVEARBPZSA-N 1 3 282.472 3.044 20 0 CGADHO COCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185681265 374714112 /nfs/dbraw/zinc/71/41/12/374714112.db2.gz JEMUYHOFNJYLNJ-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459449976 374809254 /nfs/dbraw/zinc/80/92/54/374809254.db2.gz NTCSGUUVOXBFSX-HNNXBMFYSA-N 1 3 264.457 3.277 20 0 CGADHO CCc1ccc(CC[N@H+]2CC[C@H](CN(C)CC)C2)cc1 ZINC000464789970 374901641 /nfs/dbraw/zinc/90/16/41/374901641.db2.gz HWUNXXPHLJQDOU-GOSISDBHSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccc(CC[N@@H+]2CC[C@H](CN(C)CC)C2)cc1 ZINC000464789970 374901649 /nfs/dbraw/zinc/90/16/49/374901649.db2.gz HWUNXXPHLJQDOU-GOSISDBHSA-N 1 3 274.452 3.065 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187166604 374982536 /nfs/dbraw/zinc/98/25/36/374982536.db2.gz OQFDEPQEOYNRNF-GJZGRUSLSA-N 1 3 284.513 3.228 20 0 CGADHO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334866786 375041178 /nfs/dbraw/zinc/04/11/78/375041178.db2.gz CJFWQTPOHXKRRU-UKRRQHHQSA-N 1 3 264.438 3.021 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000335032731 375082141 /nfs/dbraw/zinc/08/21/41/375082141.db2.gz ZEVHCRHSMXEDAI-GQKFXUNGSA-N 1 3 282.790 3.137 20 0 CGADHO c1cc(C[NH2+][C@H]2CCC23CCCC3)cc2c1CNC2 ZINC000335056933 375096214 /nfs/dbraw/zinc/09/62/14/375096214.db2.gz BVUFMXCONDVDTJ-INIZCTEOSA-N 1 3 256.393 3.102 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000187818828 375102198 /nfs/dbraw/zinc/10/21/98/375102198.db2.gz DTJPJDJKIJGNAS-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187818828 375102201 /nfs/dbraw/zinc/10/22/01/375102201.db2.gz DTJPJDJKIJGNAS-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000187818828 375102205 /nfs/dbraw/zinc/10/22/05/375102205.db2.gz DTJPJDJKIJGNAS-GJZGRUSLSA-N 1 3 278.415 3.078 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488451105 375310434 /nfs/dbraw/zinc/31/04/34/375310434.db2.gz UIXWOEBLYUQHHZ-IXDOHACOSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488451105 375310440 /nfs/dbraw/zinc/31/04/40/375310440.db2.gz UIXWOEBLYUQHHZ-IXDOHACOSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488451105 375310447 /nfs/dbraw/zinc/31/04/47/375310447.db2.gz UIXWOEBLYUQHHZ-IXDOHACOSA-N 1 3 298.540 3.474 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)CN(C)C ZINC000491562642 375331107 /nfs/dbraw/zinc/33/11/07/375331107.db2.gz XPVWRXVHFLZHQW-STQMWFEESA-N 1 3 268.832 3.058 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052539 375473078 /nfs/dbraw/zinc/47/30/78/375473078.db2.gz IDSFYSZCIFVSOC-NVXWUHKLSA-N 1 3 292.492 3.334 20 0 CGADHO C[C@@H]1C[C@H](N(C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052539 375473080 /nfs/dbraw/zinc/47/30/80/375473080.db2.gz IDSFYSZCIFVSOC-NVXWUHKLSA-N 1 3 292.492 3.334 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000335842056 375475417 /nfs/dbraw/zinc/47/54/17/375475417.db2.gz RWZCOSWAAKDKPZ-YPMHNXCESA-N 1 3 260.406 3.070 20 0 CGADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)CC(C)(C)C)CC1 ZINC000191477422 375633307 /nfs/dbraw/zinc/63/33/07/375633307.db2.gz FMOUYXMCNAUDBL-UHFFFAOYSA-N 1 3 297.531 3.207 20 0 CGADHO Cc1c[nH+]ccc1N1CCCN(Cc2ccccc2)CC1 ZINC000191977721 375685678 /nfs/dbraw/zinc/68/56/78/375685678.db2.gz IRMNFTYLIHBXOS-UHFFFAOYSA-N 1 3 281.403 3.102 20 0 CGADHO C[C@H]1CCC[C@H]([N@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928420 542030082 /nfs/dbraw/zinc/03/00/82/542030082.db2.gz SWLLRLQAXASWKW-YOEHRIQHSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928420 542030087 /nfs/dbraw/zinc/03/00/87/542030087.db2.gz SWLLRLQAXASWKW-YOEHRIQHSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000336128256 375706554 /nfs/dbraw/zinc/70/65/54/375706554.db2.gz ZORHHDNBCOWGFG-LBPRGKRZSA-N 1 3 280.362 3.101 20 0 CGADHO FC(F)C1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000336406191 375791213 /nfs/dbraw/zinc/79/12/13/375791213.db2.gz FDIBUJVCQIQLMP-NWINJMCUSA-N 1 3 272.383 3.027 20 0 CGADHO C[NH+]1CCC(CCNCc2sccc2Cl)CC1 ZINC000193086854 375823970 /nfs/dbraw/zinc/82/39/70/375823970.db2.gz RAXPNCJUQSWRJT-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNCCSCc2ccccc2)C1 ZINC000193903728 375937862 /nfs/dbraw/zinc/93/78/62/375937862.db2.gz YESSMPITCIETFE-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO CCC[N@H+]1CC[C@H](CNCCSCc2ccccc2)C1 ZINC000193903728 375937868 /nfs/dbraw/zinc/93/78/68/375937868.db2.gz YESSMPITCIETFE-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193903728 375937876 /nfs/dbraw/zinc/93/78/76/375937876.db2.gz YESSMPITCIETFE-QGZVFWFLSA-N 1 3 292.492 3.241 20 0 CGADHO C[C@@H](CC1CCCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536857858 376136462 /nfs/dbraw/zinc/13/64/62/376136462.db2.gz MNUDLFUJGUPQIP-YESZJQIVSA-N 1 3 296.499 3.434 20 0 CGADHO CCC[NH+]1CCC(N[C@H](C)COc2cccc(C)c2)CC1 ZINC000132268950 542075415 /nfs/dbraw/zinc/07/54/15/542075415.db2.gz ZUPRSNQRLJBDHZ-MRXNPFEDSA-N 1 3 290.451 3.226 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccnc3ccccc23)[C@@H](C)C1 ZINC000537615478 376180691 /nfs/dbraw/zinc/18/06/91/376180691.db2.gz VOUDYIBEAUZBPL-KXBFYZLASA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccnc3ccccc23)[C@@H](C)C1 ZINC000537615478 376180697 /nfs/dbraw/zinc/18/06/97/376180697.db2.gz VOUDYIBEAUZBPL-KXBFYZLASA-N 1 3 297.446 3.397 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000537619488 376182934 /nfs/dbraw/zinc/18/29/34/376182934.db2.gz FUAAJCGOLWXDKH-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000537619488 376182942 /nfs/dbraw/zinc/18/29/42/376182942.db2.gz FUAAJCGOLWXDKH-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000537619488 376182948 /nfs/dbraw/zinc/18/29/48/376182948.db2.gz FUAAJCGOLWXDKH-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000537619488 376182955 /nfs/dbraw/zinc/18/29/55/376182955.db2.gz FUAAJCGOLWXDKH-QXAKKESOSA-N 1 3 286.463 3.454 20 0 CGADHO Cc1ccsc1C[NH2+]C1CCN(CC(C)C)CC1 ZINC000221809712 376220907 /nfs/dbraw/zinc/22/09/07/376220907.db2.gz VZYMPIOVORVOBP-UHFFFAOYSA-N 1 3 266.454 3.267 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN(C)C(C)C ZINC000221925032 376226454 /nfs/dbraw/zinc/22/64/54/376226454.db2.gz WXYIDVPWIGYDBS-GOSISDBHSA-N 1 3 290.451 3.393 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000222022461 376227771 /nfs/dbraw/zinc/22/77/71/376227771.db2.gz APIYYRQPOMSGKQ-IKGGRYGDSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000222022461 376227777 /nfs/dbraw/zinc/22/77/77/376227777.db2.gz APIYYRQPOMSGKQ-IKGGRYGDSA-N 1 3 290.838 3.024 20 0 CGADHO COc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1Cl ZINC000540608110 376385328 /nfs/dbraw/zinc/38/53/28/376385328.db2.gz WNWDTJPQYAKZOE-GFCCVEGCSA-N 1 3 294.826 3.261 20 0 CGADHO COc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1Cl ZINC000540608110 376385337 /nfs/dbraw/zinc/38/53/37/376385337.db2.gz WNWDTJPQYAKZOE-GFCCVEGCSA-N 1 3 294.826 3.261 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1F ZINC000227499420 376394834 /nfs/dbraw/zinc/39/48/34/376394834.db2.gz FQWVCGRNYCYBHG-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000228287464 376433198 /nfs/dbraw/zinc/43/31/98/376433198.db2.gz OJMHYJDODHGVIT-BLLLJJGKSA-N 1 3 272.392 3.443 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000228287464 376433205 /nfs/dbraw/zinc/43/32/05/376433205.db2.gz OJMHYJDODHGVIT-BLLLJJGKSA-N 1 3 272.392 3.443 20 0 CGADHO CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000541908945 376492668 /nfs/dbraw/zinc/49/26/68/376492668.db2.gz WSMFRYRQLOQVAO-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1cc(C)c(CN(C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000234306096 376615924 /nfs/dbraw/zinc/61/59/24/376615924.db2.gz FQSQKFNDZJRAIP-KRWDZBQOSA-N 1 3 260.425 3.186 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449839 376817842 /nfs/dbraw/zinc/81/78/42/376817842.db2.gz OBKFDVINGAWUTB-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449839 376817855 /nfs/dbraw/zinc/81/78/55/376817855.db2.gz OBKFDVINGAWUTB-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@H]2CCCc3ccccc32)C1 ZINC000245449839 376817861 /nfs/dbraw/zinc/81/78/61/376817861.db2.gz OBKFDVINGAWUTB-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@H]2CCCc3ccccc32)C1 ZINC000245449839 376817870 /nfs/dbraw/zinc/81/78/70/376817870.db2.gz OBKFDVINGAWUTB-QAPCUYQASA-N 1 3 272.436 3.338 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085127956 284605293 /nfs/dbraw/zinc/60/52/93/284605293.db2.gz AIKJAOFGQAQNBY-STQMWFEESA-N 1 3 280.378 3.429 20 0 CGADHO C1=CC[C@@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000245724660 376892174 /nfs/dbraw/zinc/89/21/74/376892174.db2.gz IOSKXMLOJTWTDY-IAGOWNOFSA-N 1 3 262.441 3.151 20 0 CGADHO C1=CC[C@@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000245724660 376892185 /nfs/dbraw/zinc/89/21/85/376892185.db2.gz IOSKXMLOJTWTDY-IAGOWNOFSA-N 1 3 262.441 3.151 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000246148438 376976666 /nfs/dbraw/zinc/97/66/66/376976666.db2.gz KVRXRZIQGZRNLH-WFASDCNBSA-N 1 3 296.842 3.169 20 0 CGADHO COCC[N@H+](C)CCCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340175697 376935569 /nfs/dbraw/zinc/93/55/69/376935569.db2.gz GLRCPBKNVXBIBN-OAHLLOKOSA-N 1 3 290.451 3.183 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340175697 376935577 /nfs/dbraw/zinc/93/55/77/376935577.db2.gz GLRCPBKNVXBIBN-OAHLLOKOSA-N 1 3 290.451 3.183 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246417539 377025835 /nfs/dbraw/zinc/02/58/35/377025835.db2.gz BWHBJRRJHXZJOW-PKOBYXMFSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246417539 377025837 /nfs/dbraw/zinc/02/58/37/377025837.db2.gz BWHBJRRJHXZJOW-PKOBYXMFSA-N 1 3 284.447 3.444 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2csc(C(C)C)n2)[C@@H](C)C1 ZINC000246901806 377114174 /nfs/dbraw/zinc/11/41/74/377114174.db2.gz FJTZCECENPLZLH-ZFWWWQNUSA-N 1 3 295.496 3.129 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2csc(C(C)C)n2)[C@@H](C)C1 ZINC000246901806 377114183 /nfs/dbraw/zinc/11/41/83/377114183.db2.gz FJTZCECENPLZLH-ZFWWWQNUSA-N 1 3 295.496 3.129 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2coc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000340454878 377068029 /nfs/dbraw/zinc/06/80/29/377068029.db2.gz SSSBPILBOPBSFK-YESZJQIVSA-N 1 3 284.403 3.395 20 0 CGADHO C[N@H+]1CC[C@H](NCc2coc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000340454878 377068038 /nfs/dbraw/zinc/06/80/38/377068038.db2.gz SSSBPILBOPBSFK-YESZJQIVSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2coc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000340454878 377068050 /nfs/dbraw/zinc/06/80/50/377068050.db2.gz SSSBPILBOPBSFK-YESZJQIVSA-N 1 3 284.403 3.395 20 0 CGADHO C[C@H](F)CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000340464310 377074571 /nfs/dbraw/zinc/07/45/71/377074571.db2.gz SOUPDAZOXYKRRZ-OFQRWUPVSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000340464310 377074575 /nfs/dbraw/zinc/07/45/75/377074575.db2.gz SOUPDAZOXYKRRZ-OFQRWUPVSA-N 1 3 270.436 3.367 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246996715 377137032 /nfs/dbraw/zinc/13/70/32/377137032.db2.gz KMBGBODYDGQGOU-IEBWSBKVSA-N 1 3 286.463 3.329 20 0 CGADHO COc1c(C)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000561395727 377224800 /nfs/dbraw/zinc/22/48/00/377224800.db2.gz LKDQUCJKGLSCNW-NVXWUHKLSA-N 1 3 290.451 3.084 20 0 CGADHO COc1c(C)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000561395727 377224805 /nfs/dbraw/zinc/22/48/05/377224805.db2.gz LKDQUCJKGLSCNW-NVXWUHKLSA-N 1 3 290.451 3.084 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000561976814 377258705 /nfs/dbraw/zinc/25/87/05/377258705.db2.gz YPGRFLFEGGXBFY-GOSISDBHSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000561976814 377258708 /nfs/dbraw/zinc/25/87/08/377258708.db2.gz YPGRFLFEGGXBFY-GOSISDBHSA-N 1 3 286.463 3.467 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000247388483 377200692 /nfs/dbraw/zinc/20/06/92/377200692.db2.gz VMRNZBBFLAHEST-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO FCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396970 377305783 /nfs/dbraw/zinc/30/57/83/377305783.db2.gz HNRUIYWLNUKCBM-RCCFBDPRSA-N 1 3 290.426 3.236 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000248585223 377357216 /nfs/dbraw/zinc/35/72/16/377357216.db2.gz PUHJIUDCXUXTNG-SJLPKXTDSA-N 1 3 274.452 3.187 20 0 CGADHO Cc1cccc2c(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166694589 542174984 /nfs/dbraw/zinc/17/49/84/542174984.db2.gz NNRKQIOCZRNHGM-DLBZAZTESA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2c(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166694589 542174988 /nfs/dbraw/zinc/17/49/88/542174988.db2.gz NNRKQIOCZRNHGM-DLBZAZTESA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422905456 249127427 /nfs/dbraw/zinc/12/74/27/249127427.db2.gz ZBVWSIIMOLREDR-CHWSQXEVSA-N 1 3 284.831 3.133 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000422905456 249127429 /nfs/dbraw/zinc/12/74/29/249127429.db2.gz ZBVWSIIMOLREDR-CHWSQXEVSA-N 1 3 284.831 3.133 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905408 249127457 /nfs/dbraw/zinc/12/74/57/249127457.db2.gz IIMIEDKDSHIJCT-GDBMZVCRSA-N 1 3 290.476 3.418 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905408 249127459 /nfs/dbraw/zinc/12/74/59/249127459.db2.gz IIMIEDKDSHIJCT-GDBMZVCRSA-N 1 3 290.476 3.418 20 0 CGADHO c1ccc(CC[C@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469879268 249161976 /nfs/dbraw/zinc/16/19/76/249161976.db2.gz FJTCCUGLRXMZLR-RTBURBONSA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc(CC[C@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469879268 249161980 /nfs/dbraw/zinc/16/19/80/249161980.db2.gz FJTCCUGLRXMZLR-RTBURBONSA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250870723 377567400 /nfs/dbraw/zinc/56/74/00/377567400.db2.gz YVMWLOWSJUGABT-ZNMIVQPWSA-N 1 3 288.460 3.092 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250870723 377567406 /nfs/dbraw/zinc/56/74/06/377567406.db2.gz YVMWLOWSJUGABT-ZNMIVQPWSA-N 1 3 288.460 3.092 20 0 CGADHO Cc1ccc(CC[C@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000573830906 377583448 /nfs/dbraw/zinc/58/34/48/377583448.db2.gz RYVGUFVPHHYUMT-INIZCTEOSA-N 1 3 262.441 3.294 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000573830906 377583454 /nfs/dbraw/zinc/58/34/54/377583454.db2.gz RYVGUFVPHHYUMT-INIZCTEOSA-N 1 3 262.441 3.294 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@@H](C)C1 ZINC000251770484 377597597 /nfs/dbraw/zinc/59/75/97/377597597.db2.gz FANVVYSXIZNYQC-LEOABGAYSA-N 1 3 250.430 3.028 20 0 CGADHO C[NH+](C)C1(CNc2ccnc3ccccc32)CCCCC1 ZINC000518882751 249288608 /nfs/dbraw/zinc/28/86/08/249288608.db2.gz BYRFPOBSVKRITL-UHFFFAOYSA-N 1 3 283.419 3.333 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@H]2C)CCO1 ZINC000252132486 377615406 /nfs/dbraw/zinc/61/54/06/377615406.db2.gz LAEJBKBIACCVOW-IKGGRYGDSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)CN1CCCC1 ZINC000252214876 377619450 /nfs/dbraw/zinc/61/94/50/377619450.db2.gz XJLOKIZKDIPDDS-WCVJEAGWSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000574796617 377711365 /nfs/dbraw/zinc/71/13/65/377711365.db2.gz IWKXTXCTFLKMOM-FVQBIDKESA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000574796617 377711376 /nfs/dbraw/zinc/71/13/76/377711376.db2.gz IWKXTXCTFLKMOM-FVQBIDKESA-N 1 3 278.465 3.095 20 0 CGADHO C([C@@H]1CCCOC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000342717636 377753889 /nfs/dbraw/zinc/75/38/89/377753889.db2.gz ADSLIYOAZYBBKD-MSOLQXFVSA-N 1 3 294.483 3.001 20 0 CGADHO C[C@@]1(C[NH3+])CCN(Cc2ccc3ccccc3c2)C1 ZINC000261582956 377821049 /nfs/dbraw/zinc/82/10/49/377821049.db2.gz GZKQMDTWCNJHLL-KRWDZBQOSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@@]1(CN)CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000261582956 377821056 /nfs/dbraw/zinc/82/10/56/377821056.db2.gz GZKQMDTWCNJHLL-KRWDZBQOSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000261582956 377821059 /nfs/dbraw/zinc/82/10/59/377821059.db2.gz GZKQMDTWCNJHLL-KRWDZBQOSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)CC12CCCCC2 ZINC000261648410 377835161 /nfs/dbraw/zinc/83/51/61/377835161.db2.gz AWUPHXBUQADUJL-CVEARBPZSA-N 1 3 264.457 3.278 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)CC12CCCCC2 ZINC000261648410 377835170 /nfs/dbraw/zinc/83/51/70/377835170.db2.gz AWUPHXBUQADUJL-CVEARBPZSA-N 1 3 264.457 3.278 20 0 CGADHO Cc1cc(C)cc([C@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262030697 377880051 /nfs/dbraw/zinc/88/00/51/377880051.db2.gz NZEYASAOPSKMOP-WMZOPIPTSA-N 1 3 272.436 3.092 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261702383 377842473 /nfs/dbraw/zinc/84/24/73/377842473.db2.gz OLFKGEOCCMEGOT-WCUVEOEZSA-N 1 3 298.352 3.436 20 0 CGADHO COc1ccc2cc(CN3CCC[C@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000261823934 377857973 /nfs/dbraw/zinc/85/79/73/377857973.db2.gz AXPAQSARJLIAIV-KSSFIOAISA-N 1 3 298.430 3.408 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc2ccccc2n1 ZINC000575742185 377985992 /nfs/dbraw/zinc/98/59/92/377985992.db2.gz PTEOFLAREHPAMX-SJLPKXTDSA-N 1 3 283.419 3.027 20 0 CGADHO Cc1cccc(C[N@H+](C)CCCN2CCCC2)c1C ZINC000343625494 378045407 /nfs/dbraw/zinc/04/54/07/378045407.db2.gz RHHCMVXNSSACFV-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO Cc1cccc(C[N@@H+](C)CCCN2CCCC2)c1C ZINC000343625494 378045411 /nfs/dbraw/zinc/04/54/11/378045411.db2.gz RHHCMVXNSSACFV-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000578206352 378047944 /nfs/dbraw/zinc/04/79/44/378047944.db2.gz PSPRMZKKKRPFAP-VGWMRTNUSA-N 1 3 258.409 3.101 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000578206352 378047948 /nfs/dbraw/zinc/04/79/48/378047948.db2.gz PSPRMZKKKRPFAP-VGWMRTNUSA-N 1 3 258.409 3.101 20 0 CGADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1cccs1 ZINC000578443238 378070355 /nfs/dbraw/zinc/07/03/55/378070355.db2.gz DVHLMZOXPMZQEN-CQSZACIVSA-N 1 3 260.406 3.448 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000580015712 378216805 /nfs/dbraw/zinc/21/68/05/378216805.db2.gz XSQYBFXEVPSOTE-RYQLBKOJSA-N 1 3 276.468 3.397 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000580015712 378216810 /nfs/dbraw/zinc/21/68/10/378216810.db2.gz XSQYBFXEVPSOTE-RYQLBKOJSA-N 1 3 276.468 3.397 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000269035017 378178496 /nfs/dbraw/zinc/17/84/96/378178496.db2.gz FKRWTXDXCBDSQX-KEYYUXOJSA-N 1 3 288.435 3.145 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)c1cccc(Cl)c1 ZINC000580725146 378253211 /nfs/dbraw/zinc/25/32/11/378253211.db2.gz OOCCJOBQLBYPSI-HUUCEWRRSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000580725146 378253215 /nfs/dbraw/zinc/25/32/15/378253215.db2.gz OOCCJOBQLBYPSI-HUUCEWRRSA-N 1 3 280.843 3.477 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000584464127 378387194 /nfs/dbraw/zinc/38/71/94/378387194.db2.gz WPGKDISKRVUVOA-NUEKZKHPSA-N 1 3 290.455 3.138 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000271066757 378445818 /nfs/dbraw/zinc/44/58/18/378445818.db2.gz JHNATZKPEJMTTJ-HZPDHXFCSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccncc1 ZINC000271066757 378445829 /nfs/dbraw/zinc/44/58/29/378445829.db2.gz JHNATZKPEJMTTJ-HZPDHXFCSA-N 1 3 275.440 3.387 20 0 CGADHO c1cc2cccc(C[N@H+]3CC[C@H](CN4CCCC4)C3)c2[nH]1 ZINC000271178472 378473098 /nfs/dbraw/zinc/47/30/98/378473098.db2.gz GUEOGQVHLREOHA-OAHLLOKOSA-N 1 3 283.419 3.086 20 0 CGADHO c1cc2cccc(C[N@@H+]3CC[C@H](CN4CCCC4)C3)c2[nH]1 ZINC000271178472 378473106 /nfs/dbraw/zinc/47/31/06/378473106.db2.gz GUEOGQVHLREOHA-OAHLLOKOSA-N 1 3 283.419 3.086 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000346218473 378510212 /nfs/dbraw/zinc/51/02/12/378510212.db2.gz MKDUIPJSQJVGAB-IAGOWNOFSA-N 1 3 296.499 3.245 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000271952746 378528076 /nfs/dbraw/zinc/52/80/76/378528076.db2.gz DYCXYUVXUXGJEW-TXQGORRRSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000271952746 378528083 /nfs/dbraw/zinc/52/80/83/378528083.db2.gz DYCXYUVXUXGJEW-TXQGORRRSA-N 1 3 284.447 3.323 20 0 CGADHO CC(C)CCOc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346648253 378660979 /nfs/dbraw/zinc/66/09/79/378660979.db2.gz PDEIPAINBYCVKU-DOTOQJQBSA-N 1 3 290.451 3.281 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346652739 378662557 /nfs/dbraw/zinc/66/25/57/378662557.db2.gz HXVHCTLQULUKIY-QWHCGFSZSA-N 1 3 272.392 3.164 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000348082739 378783880 /nfs/dbraw/zinc/78/38/80/378783880.db2.gz SYVFJJQDLGXMNF-WBVHZDCISA-N 1 3 273.424 3.076 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638408413 378793764 /nfs/dbraw/zinc/79/37/64/378793764.db2.gz AYCVVDHUXQGBRU-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638408413 378793772 /nfs/dbraw/zinc/79/37/72/378793772.db2.gz AYCVVDHUXQGBRU-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638408413 378793779 /nfs/dbraw/zinc/79/37/79/378793779.db2.gz AYCVVDHUXQGBRU-INIZCTEOSA-N 1 3 290.451 3.166 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C1(C)C ZINC000346882654 218048543 /nfs/dbraw/zinc/04/85/43/218048543.db2.gz YSFFWNRAEQGZLZ-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH+]2CCCCC2)C1(C)C ZINC000346882654 218048544 /nfs/dbraw/zinc/04/85/44/218048544.db2.gz YSFFWNRAEQGZLZ-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)c1C ZINC000346985498 218079612 /nfs/dbraw/zinc/07/96/12/218079612.db2.gz OTPDVJKHUJWYGX-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)c1C ZINC000346985498 218079614 /nfs/dbraw/zinc/07/96/14/218079614.db2.gz OTPDVJKHUJWYGX-SJLPKXTDSA-N 1 3 272.436 3.440 20 0 CGADHO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000638971934 378963164 /nfs/dbraw/zinc/96/31/64/378963164.db2.gz RTTHSUFWBFLLRY-QPSCCSFWSA-N 1 3 282.497 3.123 20 0 CGADHO CCC[N@H+](C/C=C\c1ccc(F)cc1F)C1CCNCC1 ZINC000347088509 218117571 /nfs/dbraw/zinc/11/75/71/218117571.db2.gz FFTITNYULOIMEU-ARJAWSKDSA-N 1 3 294.389 3.442 20 0 CGADHO CCC[N@@H+](C/C=C\c1ccc(F)cc1F)C1CCNCC1 ZINC000347088509 218117574 /nfs/dbraw/zinc/11/75/74/218117574.db2.gz FFTITNYULOIMEU-ARJAWSKDSA-N 1 3 294.389 3.442 20 0 CGADHO CCCN(Cc1cccc(OCC)c1)C1CC[NH2+]CC1 ZINC000347119167 218127397 /nfs/dbraw/zinc/12/73/97/218127397.db2.gz YNEKXFIJVVQDJO-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO CCC[N@H+](Cc1cccc(OCC)c1)C1CCNCC1 ZINC000347119167 218127398 /nfs/dbraw/zinc/12/73/98/218127398.db2.gz YNEKXFIJVVQDJO-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO CCC[N@@H+](Cc1cccc(OCC)c1)C1CCNCC1 ZINC000347119167 218127399 /nfs/dbraw/zinc/12/73/99/218127399.db2.gz YNEKXFIJVVQDJO-UHFFFAOYSA-N 1 3 276.424 3.049 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CC(C)(C)Oc2ccccc2)CC1 ZINC000639106184 379030965 /nfs/dbraw/zinc/03/09/65/379030965.db2.gz WUTACCZTKBUBJL-MRXNPFEDSA-N 1 3 290.451 3.260 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CC(C)(C)Oc2ccccc2)CC1 ZINC000639106184 379030969 /nfs/dbraw/zinc/03/09/69/379030969.db2.gz WUTACCZTKBUBJL-MRXNPFEDSA-N 1 3 290.451 3.260 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CC(C)(C)Oc2ccccc2)CC1 ZINC000639106184 379030975 /nfs/dbraw/zinc/03/09/75/379030975.db2.gz WUTACCZTKBUBJL-MRXNPFEDSA-N 1 3 290.451 3.260 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)CC1 ZINC000277321165 379131727 /nfs/dbraw/zinc/13/17/27/379131727.db2.gz VCDFHEGTEPCYFC-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC000277321165 379131741 /nfs/dbraw/zinc/13/17/41/379131741.db2.gz VCDFHEGTEPCYFC-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1ccc(C)c(F)c1 ZINC000349418578 379277466 /nfs/dbraw/zinc/27/74/66/379277466.db2.gz OGCJDSHUDHAHIP-UHFFFAOYSA-N 1 3 266.404 3.298 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(C)c(F)c1 ZINC000349418578 379277471 /nfs/dbraw/zinc/27/74/71/379277471.db2.gz OGCJDSHUDHAHIP-UHFFFAOYSA-N 1 3 266.404 3.298 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2(OC)CCCCC2)CC1 ZINC000639378494 379337977 /nfs/dbraw/zinc/33/79/77/379337977.db2.gz FEDWIGGTNRZWBD-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO CCC1(N(C)C)CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000639378494 379337988 /nfs/dbraw/zinc/33/79/88/379337988.db2.gz FEDWIGGTNRZWBD-UHFFFAOYSA-N 1 3 282.472 3.142 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H]1CCCc2sccc21 ZINC000349716726 379355931 /nfs/dbraw/zinc/35/59/31/379355931.db2.gz AGTVFCQRDOKBTE-HNNXBMFYSA-N 1 3 296.480 3.074 20 0 CGADHO CC1(C)SC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000374791537 379477060 /nfs/dbraw/zinc/47/70/60/379477060.db2.gz GUCRHWQPZZHBID-OAHLLOKOSA-N 1 3 282.497 3.267 20 0 CGADHO CC(C)CCn1cccc1CN1CCC(C[NH+](C)C)CC1 ZINC000350176679 379526118 /nfs/dbraw/zinc/52/61/18/379526118.db2.gz NYNMCFPNGGXMLR-UHFFFAOYSA-N 1 3 291.483 3.308 20 0 CGADHO C[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682617 379545169 /nfs/dbraw/zinc/54/51/69/379545169.db2.gz ZQIDJAPRASRZFU-INIZCTEOSA-N 1 3 281.403 3.355 20 0 CGADHO C[C@@H](c1ccccc1)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682617 379545174 /nfs/dbraw/zinc/54/51/74/379545174.db2.gz ZQIDJAPRASRZFU-INIZCTEOSA-N 1 3 281.403 3.355 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684800 379545587 /nfs/dbraw/zinc/54/55/87/379545587.db2.gz ZHDQCGNFSLUTJF-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684800 379545593 /nfs/dbraw/zinc/54/55/93/379545593.db2.gz ZHDQCGNFSLUTJF-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000380480442 379865302 /nfs/dbraw/zinc/86/53/02/379865302.db2.gz UHNMQUXXDQWABS-GJZGRUSLSA-N 1 3 278.440 3.322 20 0 CGADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392214197 379911457 /nfs/dbraw/zinc/91/14/57/379911457.db2.gz UGDRHWZHYKGDSF-HZPDHXFCSA-N 1 3 250.430 3.053 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000382124909 379871299 /nfs/dbraw/zinc/87/12/99/379871299.db2.gz NLAWLBFAVFFNIE-TZMCWYRMSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124909 379871310 /nfs/dbraw/zinc/87/13/10/379871310.db2.gz NLAWLBFAVFFNIE-TZMCWYRMSA-N 1 3 252.427 3.131 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000410377997 380089949 /nfs/dbraw/zinc/08/99/49/380089949.db2.gz JSFFHZUPXAQGRT-CVEARBPZSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000410377997 380089954 /nfs/dbraw/zinc/08/99/54/380089954.db2.gz JSFFHZUPXAQGRT-CVEARBPZSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H]([NH2+]CCc1ccco1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000347913616 218397886 /nfs/dbraw/zinc/39/78/86/218397886.db2.gz APBKEVKQVPBPQT-FUHWJXTLSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@H](NCCc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347913616 218397887 /nfs/dbraw/zinc/39/78/87/218397887.db2.gz APBKEVKQVPBPQT-FUHWJXTLSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@H](NCCc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913616 218397889 /nfs/dbraw/zinc/39/78/89/218397889.db2.gz APBKEVKQVPBPQT-FUHWJXTLSA-N 1 3 298.430 3.322 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000283914396 380105683 /nfs/dbraw/zinc/10/56/83/380105683.db2.gz AIUJLNMQJIATPS-GOSISDBHSA-N 1 3 270.420 3.260 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000283914396 380105687 /nfs/dbraw/zinc/10/56/87/380105687.db2.gz AIUJLNMQJIATPS-GOSISDBHSA-N 1 3 270.420 3.260 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)C1CCC(F)(F)CC1 ZINC000353253157 380190961 /nfs/dbraw/zinc/19/09/61/380190961.db2.gz VIKLLGZIODHYQM-ZDUSSCGKSA-N 1 3 274.399 3.276 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000643474077 380317223 /nfs/dbraw/zinc/31/72/23/380317223.db2.gz UJEWCVZBFLQOKP-BRWVUGGUSA-N 1 3 258.409 3.054 20 0 CGADHO CC[C@@H](NCCC[NH2+]C)c1cccc2ccccc21 ZINC000643498518 380320093 /nfs/dbraw/zinc/32/00/93/380320093.db2.gz OQFZWISROHLGND-QGZVFWFLSA-N 1 3 256.393 3.490 20 0 CGADHO CC[C@@H]([NH2+]CCCNC)c1cccc2ccccc21 ZINC000643498518 380320101 /nfs/dbraw/zinc/32/01/01/380320101.db2.gz OQFZWISROHLGND-QGZVFWFLSA-N 1 3 256.393 3.490 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCNC1 ZINC000643459418 380312109 /nfs/dbraw/zinc/31/21/09/380312109.db2.gz CKWHNAPHCMQPPD-RFQIPJPRSA-N 1 3 292.389 3.333 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548115 380363635 /nfs/dbraw/zinc/36/36/35/380363635.db2.gz MQZOLZONCSMNSN-OIISXLGYSA-N 1 3 288.435 3.027 20 0 CGADHO C[C@@H]1C[C@H](CN(C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756407 380392748 /nfs/dbraw/zinc/39/27/48/380392748.db2.gz QRGBXQGIBLEIBF-VXGBXAGGSA-N 1 3 284.806 3.299 20 0 CGADHO Clc1cccc2c1CCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643522322 380339243 /nfs/dbraw/zinc/33/92/43/380339243.db2.gz LOQQXHUHXPPWRI-LRDDRELGSA-N 1 3 278.827 3.449 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000643527555 380342217 /nfs/dbraw/zinc/34/22/17/380342217.db2.gz OLTKSDBMHNANHR-BPNCWPANSA-N 1 3 286.341 3.278 20 0 CGADHO Cc1ccncc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000354164974 380351194 /nfs/dbraw/zinc/35/11/94/380351194.db2.gz QAOPTHMXSCYKRP-UHFFFAOYSA-N 1 3 295.430 3.276 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000643546042 380358194 /nfs/dbraw/zinc/35/81/94/380358194.db2.gz HHKVTVWLCKQANU-HOCLYGCPSA-N 1 3 258.409 3.320 20 0 CGADHO Cc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C(F)(F)F ZINC000414662017 380358499 /nfs/dbraw/zinc/35/84/99/380358499.db2.gz PLKFGYJLDWSABE-WCQYABFASA-N 1 3 286.341 3.183 20 0 CGADHO C1CC2(C1)C[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)CCN2 ZINC000643546463 380358902 /nfs/dbraw/zinc/35/89/02/380358902.db2.gz PFVLKWHUIZXVNU-IKXAHOJESA-N 1 3 274.452 3.075 20 0 CGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546443 380359581 /nfs/dbraw/zinc/35/95/81/380359581.db2.gz OXPDTIKRYBLKBR-MCIONIFRSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546923 380360827 /nfs/dbraw/zinc/36/08/27/380360827.db2.gz WVDPZOVHIWUAND-UKPHBRMFSA-N 1 3 270.420 3.184 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546923 380360836 /nfs/dbraw/zinc/36/08/36/380360836.db2.gz WVDPZOVHIWUAND-UKPHBRMFSA-N 1 3 270.420 3.184 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(OC)cc1 ZINC000643547069 380361209 /nfs/dbraw/zinc/36/12/09/380361209.db2.gz ZGRWQMIEVDQBBE-NVXWUHKLSA-N 1 3 288.435 3.411 20 0 CGADHO Fc1cccc(Cl)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771767 380397297 /nfs/dbraw/zinc/39/72/97/380397297.db2.gz AMRHQRGEAKPIOL-QWHCGFSZSA-N 1 3 296.817 3.301 20 0 CGADHO C[C@H]([NH2+]CCCCCOc1ccccc1)[C@H]1CCCNC1 ZINC000414820466 380432050 /nfs/dbraw/zinc/43/20/50/380432050.db2.gz JMICGGMNUSLOOX-IRXDYDNUSA-N 1 3 290.451 3.213 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)[C@@H]1CCCNC1 ZINC000414821748 380432179 /nfs/dbraw/zinc/43/21/79/380432179.db2.gz LRMIMJNGTNYBOX-JCHJZTRSSA-N 1 3 286.463 3.376 20 0 CGADHO Clc1ccsc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772796 380398486 /nfs/dbraw/zinc/39/84/86/380398486.db2.gz CMJFDPHOGWQIET-NEPJUHHUSA-N 1 3 284.856 3.223 20 0 CGADHO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@@H]1CCCNC1 ZINC000414854482 380456124 /nfs/dbraw/zinc/45/61/24/380456124.db2.gz LYAFWLLIAPATFG-UKRRQHHQSA-N 1 3 252.446 3.181 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccccc1SC ZINC000414804495 380415721 /nfs/dbraw/zinc/41/57/21/380415721.db2.gz FJHSNQCRQQNLQT-CYBMUJFWSA-N 1 3 280.481 3.447 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000414808927 380420831 /nfs/dbraw/zinc/42/08/31/380420831.db2.gz SULWZPYQZMJUQA-JQHSSLGASA-N 1 3 274.452 3.423 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414908196 380486172 /nfs/dbraw/zinc/48/61/72/380486172.db2.gz ODGGUAOCHPQWTC-ROUUACIJSA-N 1 3 274.452 3.295 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1 ZINC000414940890 380498591 /nfs/dbraw/zinc/49/85/91/380498591.db2.gz KWSGMWDDTFZKSA-HYVNUMGLSA-N 1 3 260.425 3.014 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414947852 380502214 /nfs/dbraw/zinc/50/22/14/380502214.db2.gz XFMKPKSZMPDLAN-FMKPAKJESA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)Cc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414947539 380503105 /nfs/dbraw/zinc/50/31/05/380503105.db2.gz WNKYAOQBGZSJPN-UHFFFAOYSA-N 1 3 260.425 3.117 20 0 CGADHO CNCCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414861661 380461022 /nfs/dbraw/zinc/46/10/22/380461022.db2.gz SRKSWBMNXWXEAB-SJORKVTESA-N 1 3 260.425 3.302 20 0 CGADHO C[C@H](NCc1csc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000414863862 380463403 /nfs/dbraw/zinc/46/34/03/380463403.db2.gz YIHULSGAZXECED-STQMWFEESA-N 1 3 274.433 3.379 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414875301 380470249 /nfs/dbraw/zinc/47/02/49/380470249.db2.gz JULPTEMDIQAIJW-UXIGCNINSA-N 1 3 266.816 3.161 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](C)CN ZINC000414880425 380471901 /nfs/dbraw/zinc/47/19/01/380471901.db2.gz QRATVVNWMIKMKI-CZUORRHYSA-N 1 3 282.859 3.482 20 0 CGADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NCCCC(C)C)cc1 ZINC000414878252 380472671 /nfs/dbraw/zinc/47/26/71/380472671.db2.gz GWNYVHNHAHUCIH-QZTJIDSGSA-N 1 3 290.451 3.167 20 0 CGADHO CC1(CNCc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000414899111 380480752 /nfs/dbraw/zinc/48/07/52/380480752.db2.gz GXLYFISKDNERPL-UHFFFAOYSA-N 1 3 287.234 3.473 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414900587 380480913 /nfs/dbraw/zinc/48/09/13/380480913.db2.gz DXMILHCUGPJWPW-CZUORRHYSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414900587 380480920 /nfs/dbraw/zinc/48/09/20/380480920.db2.gz DXMILHCUGPJWPW-CZUORRHYSA-N 1 3 280.843 3.250 20 0 CGADHO CC[C@H]1CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000644843476 380529901 /nfs/dbraw/zinc/52/99/01/380529901.db2.gz RCQVERKSODPCGQ-KRWDZBQOSA-N 1 3 288.435 3.146 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314357 380591277 /nfs/dbraw/zinc/59/12/77/380591277.db2.gz YXECWNBBHHWVCO-AEGPPILISA-N 1 3 276.449 3.092 20 0 CGADHO CO[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(C)C ZINC000417330450 380594321 /nfs/dbraw/zinc/59/43/21/380594321.db2.gz DUDTYEIWTOXFCD-GOSISDBHSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)CN1CCCC1 ZINC000417873406 380685715 /nfs/dbraw/zinc/68/57/15/380685715.db2.gz KITRBVJXBWIFLQ-SZMVWBNQSA-N 1 3 272.436 3.112 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348262077 218533818 /nfs/dbraw/zinc/53/38/18/218533818.db2.gz QFEMSHKDIASHJQ-NJAFHUGGSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H](NCCOCC1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000419253274 380788250 /nfs/dbraw/zinc/78/82/50/380788250.db2.gz WNQFAIXLLHLJGK-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NCCOCC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000419253274 380788254 /nfs/dbraw/zinc/78/82/54/380788254.db2.gz WNQFAIXLLHLJGK-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]([NH2+]CCOCC1CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000419253274 380788259 /nfs/dbraw/zinc/78/82/59/380788259.db2.gz WNQFAIXLLHLJGK-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO Cc1csc([C@H]2CCCCN2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420315086 380848940 /nfs/dbraw/zinc/84/89/40/380848940.db2.gz KVBSHPZAOQOXJI-HUUCEWRRSA-N 1 3 293.480 3.368 20 0 CGADHO CCC[NH+]1CCC(CNCc2ccc(Cl)o2)CC1 ZINC000356909580 380931322 /nfs/dbraw/zinc/93/13/22/380931322.db2.gz CISZMGCGJKKNJY-UHFFFAOYSA-N 1 3 270.804 3.145 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000358310789 381303551 /nfs/dbraw/zinc/30/35/51/381303551.db2.gz WZKNDLHBVMMBNV-BURFUSLBSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000358310789 381303563 /nfs/dbraw/zinc/30/35/63/381303563.db2.gz WZKNDLHBVMMBNV-BURFUSLBSA-N 1 3 294.483 3.187 20 0 CGADHO COCC[N@H+](C)CCCN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000360037661 381419897 /nfs/dbraw/zinc/41/98/97/381419897.db2.gz KWFGDGOGYGHCQJ-QAPCUYQASA-N 1 3 290.451 3.183 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000360037661 381419901 /nfs/dbraw/zinc/41/99/01/381419901.db2.gz KWFGDGOGYGHCQJ-QAPCUYQASA-N 1 3 290.451 3.183 20 0 CGADHO C[C@@H](C[NH2+]CC(C)(C)CN1CCCC1)CC1CCOCC1 ZINC000360163597 381465404 /nfs/dbraw/zinc/46/54/04/381465404.db2.gz CWDYRCPUXXYATF-MRXNPFEDSA-N 1 3 296.499 3.151 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000360275446 381504423 /nfs/dbraw/zinc/50/44/23/381504423.db2.gz RHWMKJQAECRZTE-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1ccc2ccccc2n1 ZINC000360700237 381620719 /nfs/dbraw/zinc/62/07/19/381620719.db2.gz BEZSDGVUNYVKKY-SPYBWZPUSA-N 1 3 297.446 3.096 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1ccc2ccccc2n1 ZINC000360700237 381620725 /nfs/dbraw/zinc/62/07/25/381620725.db2.gz BEZSDGVUNYVKKY-SPYBWZPUSA-N 1 3 297.446 3.096 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362921697 382149061 /nfs/dbraw/zinc/14/90/61/382149061.db2.gz IBSFUNPENQXOJI-HNNXBMFYSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc(CN2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000235878426 542313773 /nfs/dbraw/zinc/31/37/73/542313773.db2.gz BGVUBEKKZMTRFF-CYBMUJFWSA-N 1 3 266.816 3.209 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CS1 ZINC000365194145 382283595 /nfs/dbraw/zinc/28/35/95/382283595.db2.gz CDIHMSYVFLJZLA-QPSCCSFWSA-N 1 3 282.497 3.123 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000365194145 382283599 /nfs/dbraw/zinc/28/35/99/382283599.db2.gz CDIHMSYVFLJZLA-QPSCCSFWSA-N 1 3 282.497 3.123 20 0 CGADHO CC(C)CSCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367211752 382339832 /nfs/dbraw/zinc/33/98/32/382339832.db2.gz MZEFCCSNIFCRAM-XYPWUTKMSA-N 1 3 284.513 3.323 20 0 CGADHO CC(C)CSCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367211752 382339840 /nfs/dbraw/zinc/33/98/40/382339840.db2.gz MZEFCCSNIFCRAM-XYPWUTKMSA-N 1 3 284.513 3.323 20 0 CGADHO C[NH+]1CCC2(CCCN(Cc3ccsc3)C2)CC1 ZINC000369701854 382392572 /nfs/dbraw/zinc/39/25/72/382392572.db2.gz GOZKADHKYDNESE-UHFFFAOYSA-N 1 3 264.438 3.056 20 0 CGADHO CC[C@@H]1CN(Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251771016 542347345 /nfs/dbraw/zinc/34/73/45/542347345.db2.gz MMCJBOFTLCFYRN-CRAIPNDOSA-N 1 3 268.404 3.399 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000252823991 542351128 /nfs/dbraw/zinc/35/11/28/542351128.db2.gz CRGOEJHNQCGYTR-BXUZGUMPSA-N 1 3 268.351 3.054 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000252823991 542351131 /nfs/dbraw/zinc/35/11/31/542351131.db2.gz CRGOEJHNQCGYTR-BXUZGUMPSA-N 1 3 268.351 3.054 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423443435 532974780 /nfs/dbraw/zinc/97/47/80/532974780.db2.gz KKNCPEDIFDNLDN-MXWKQRLJSA-N 1 3 288.407 3.430 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423449746 532975349 /nfs/dbraw/zinc/97/53/49/532975349.db2.gz RZMWUYROFZVTCG-MCIONIFRSA-N 1 3 269.392 3.135 20 0 CGADHO CCN(C[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000226436643 285083487 /nfs/dbraw/zinc/08/34/87/285083487.db2.gz RIIPNCPADKUHKS-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CSc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000358035171 533042110 /nfs/dbraw/zinc/04/21/10/533042110.db2.gz NKSMSSPVNFXLGE-HOCLYGCPSA-N 1 3 290.476 3.325 20 0 CGADHO CSc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000358035171 533042113 /nfs/dbraw/zinc/04/21/13/533042113.db2.gz NKSMSSPVNFXLGE-HOCLYGCPSA-N 1 3 290.476 3.325 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770427 220319791 /nfs/dbraw/zinc/31/97/91/220319791.db2.gz UQXLFBPVCRVMMA-GOEBONIOSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000353770427 220319794 /nfs/dbraw/zinc/31/97/94/220319794.db2.gz UQXLFBPVCRVMMA-GOEBONIOSA-N 1 3 285.435 3.473 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000353816852 220347507 /nfs/dbraw/zinc/34/75/07/220347507.db2.gz MVSQWMHKOFPUPO-QRQLOZEOSA-N 1 3 297.446 3.439 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccc2[nH]1 ZINC000353816852 220347511 /nfs/dbraw/zinc/34/75/11/220347511.db2.gz MVSQWMHKOFPUPO-QRQLOZEOSA-N 1 3 297.446 3.439 20 0 CGADHO c1cc([C@@H]2CCC[N@@H+](CCCN3CCCCC3)C2)ccn1 ZINC000289267188 197279595 /nfs/dbraw/zinc/27/95/95/197279595.db2.gz DOWXDBCLONKYKS-GOSISDBHSA-N 1 3 287.451 3.137 20 0 CGADHO c1cc([C@@H]2CCC[N@H+](CCCN3CCCCC3)C2)ccn1 ZINC000289267188 197279596 /nfs/dbraw/zinc/27/95/96/197279596.db2.gz DOWXDBCLONKYKS-GOSISDBHSA-N 1 3 287.451 3.137 20 0 CGADHO COc1ccc([C@@H](C)NC[C@H](C)C[NH3+])c2ccccc12 ZINC000423297633 533109532 /nfs/dbraw/zinc/10/95/32/533109532.db2.gz LCNGJEIGHNKSKK-CHWSQXEVSA-N 1 3 272.392 3.094 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN)c2ccccc12 ZINC000423297633 533109539 /nfs/dbraw/zinc/10/95/39/533109539.db2.gz LCNGJEIGHNKSKK-CHWSQXEVSA-N 1 3 272.392 3.094 20 0 CGADHO COc1ccc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000414189106 533167918 /nfs/dbraw/zinc/16/79/18/533167918.db2.gz RAGHRNAACSLJIT-UONOGXRCSA-N 1 3 294.414 3.217 20 0 CGADHO COc1ccc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189106 533167925 /nfs/dbraw/zinc/16/79/25/533167925.db2.gz RAGHRNAACSLJIT-UONOGXRCSA-N 1 3 294.414 3.217 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000305127847 542417716 /nfs/dbraw/zinc/41/77/16/542417716.db2.gz LWQQIFJFQQRHJF-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000305127847 542417720 /nfs/dbraw/zinc/41/77/20/542417720.db2.gz LWQQIFJFQQRHJF-KBAYOESNSA-N 1 3 296.499 3.026 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339065549 542486167 /nfs/dbraw/zinc/48/61/67/542486167.db2.gz ABMZXRGWZYTHMC-IRXDYDNUSA-N 1 3 284.447 3.243 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339065549 542486169 /nfs/dbraw/zinc/48/61/69/542486169.db2.gz ABMZXRGWZYTHMC-IRXDYDNUSA-N 1 3 284.447 3.243 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339065550 542486198 /nfs/dbraw/zinc/48/61/98/542486198.db2.gz ABMZXRGWZYTHMC-SJORKVTESA-N 1 3 284.447 3.243 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339065550 542486199 /nfs/dbraw/zinc/48/61/99/542486199.db2.gz ABMZXRGWZYTHMC-SJORKVTESA-N 1 3 284.447 3.243 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)N)c1cc2c(s1)CCCC2 ZINC000423281766 533351775 /nfs/dbraw/zinc/35/17/75/533351775.db2.gz BOOVAKHUQWHITR-SNVBAGLBSA-N 1 3 252.427 3.015 20 0 CGADHO COc1ccc2oc(CN3CCC([C@H](C)[NH3+])CC3)cc2c1 ZINC000435390544 533353348 /nfs/dbraw/zinc/35/33/48/533353348.db2.gz BLGHLIUQWOLXPX-LBPRGKRZSA-N 1 3 288.391 3.001 20 0 CGADHO C[C@@H](NCC1([NH3+])CCCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423175173 533361186 /nfs/dbraw/zinc/36/11/86/533361186.db2.gz DJPDPDVNLRNSFM-PVAVHDDUSA-N 1 3 272.436 3.430 20 0 CGADHO C(COCC1CCCC1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000313287439 533366406 /nfs/dbraw/zinc/36/64/06/533366406.db2.gz XCXRKMLINCNXKO-RCCFBDPRSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423574348 533374207 /nfs/dbraw/zinc/37/42/07/533374207.db2.gz ZRBRHDCGJPFIBX-LLVKDONJSA-N 1 3 282.790 3.440 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000423352828 533450836 /nfs/dbraw/zinc/45/08/36/533450836.db2.gz CALVMFIFZVVSNI-LLVKDONJSA-N 1 3 258.390 3.202 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(F)c2ccccc21 ZINC000423331777 533429848 /nfs/dbraw/zinc/42/98/48/533429848.db2.gz UVSDIEILCBQWAO-DIFFPNOSSA-N 1 3 272.367 3.367 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414931722 542640203 /nfs/dbraw/zinc/64/02/03/542640203.db2.gz UWNOOUBBBFKRMX-YUELXQCFSA-N 1 3 264.388 3.006 20 0 CGADHO CCc1oc2ccccc2c1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414931476 542640546 /nfs/dbraw/zinc/64/05/46/542640546.db2.gz UQYYVIKYJIVQFQ-OLZOCXBDSA-N 1 3 272.392 3.355 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414924769 542640722 /nfs/dbraw/zinc/64/07/22/542640722.db2.gz KRYKJYNXIVOBJL-KGLIPLIRSA-N 1 3 252.789 3.008 20 0 CGADHO Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414926194 542641281 /nfs/dbraw/zinc/64/12/81/542641281.db2.gz MXBANLCPQACDKJ-OLZOCXBDSA-N 1 3 297.240 3.117 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)c1 ZINC000414934129 542641290 /nfs/dbraw/zinc/64/12/90/542641290.db2.gz XSSPMXYPUGPHOH-XIRDDKMYSA-N 1 3 260.425 3.176 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000105456231 392289021 /nfs/dbraw/zinc/28/90/21/392289021.db2.gz KEYHNMTVXNCIHN-OAHLLOKOSA-N 1 3 285.435 3.378 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236038 542701290 /nfs/dbraw/zinc/70/12/90/542701290.db2.gz IDVNQKUDKCCIOS-AEFFLSMTSA-N 1 3 296.499 3.388 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCOC2CCCCCC2)[C@H](C)C1 ZINC000471236038 542701293 /nfs/dbraw/zinc/70/12/93/542701293.db2.gz IDVNQKUDKCCIOS-AEFFLSMTSA-N 1 3 296.499 3.388 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398921 392507179 /nfs/dbraw/zinc/50/71/79/392507179.db2.gz WZZLPHPVKTZSLD-RDTXWAMCSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398921 392507186 /nfs/dbraw/zinc/50/71/86/392507186.db2.gz WZZLPHPVKTZSLD-RDTXWAMCSA-N 1 3 288.435 3.220 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000162213941 392592452 /nfs/dbraw/zinc/59/24/52/392592452.db2.gz OUSHSKMTELPPTL-KRWDZBQOSA-N 1 3 294.483 3.142 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)s1 ZINC000163220846 392602859 /nfs/dbraw/zinc/60/28/59/392602859.db2.gz DSTINDWHTDSNHM-WCQYABFASA-N 1 3 281.469 3.006 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2c1 ZINC000302702475 392619011 /nfs/dbraw/zinc/61/90/11/392619011.db2.gz BMQRXFXAWLQHGG-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000302702475 392619015 /nfs/dbraw/zinc/61/90/15/392619015.db2.gz BMQRXFXAWLQHGG-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc(C[N@H+](C2CC2)C2CCNCC2)c(C)c1 ZINC000647482827 392736816 /nfs/dbraw/zinc/73/68/16/392736816.db2.gz BTORDMKJEKDLII-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1ccc(C[N@@H+](C2CC2)C2CCNCC2)c(C)c1 ZINC000647482827 392736822 /nfs/dbraw/zinc/73/68/22/392736822.db2.gz BTORDMKJEKDLII-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H](c2ccccc2)C(C)C)CC[C@@H]1N ZINC000647497483 392740887 /nfs/dbraw/zinc/74/08/87/392740887.db2.gz JHEIURBFCNZBIJ-NJAFHUGGSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H](c2ccccc2)C(C)C)CC[C@@H]1N ZINC000647497483 392740888 /nfs/dbraw/zinc/74/08/88/392740888.db2.gz JHEIURBFCNZBIJ-NJAFHUGGSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1CN(C[C@H](c2ccccc2)C(C)C)CC[C@@H]1[NH3+] ZINC000647497483 392740889 /nfs/dbraw/zinc/74/08/89/392740889.db2.gz JHEIURBFCNZBIJ-NJAFHUGGSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)(CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000647541518 392758580 /nfs/dbraw/zinc/75/85/80/392758580.db2.gz QSRLHDZEMZRLRB-GOSISDBHSA-N 1 3 272.436 3.040 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543847 392759945 /nfs/dbraw/zinc/75/99/45/392759945.db2.gz SUMMCEFSSNDDOR-HUUCEWRRSA-N 1 3 294.389 3.176 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2CCC(F)CC2)CC1 ZINC000647349323 392698422 /nfs/dbraw/zinc/69/84/22/392698422.db2.gz JQDMNACABCRHEE-UHFFFAOYSA-N 1 3 270.436 3.367 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800582 392801162 /nfs/dbraw/zinc/80/11/62/392801162.db2.gz GFDYFVSJRSKUMC-URKNILKWSA-N 1 3 295.430 3.303 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1=CCN(C)CC1 ZINC000510717561 392811407 /nfs/dbraw/zinc/81/14/07/392811407.db2.gz RMJZFRKYWGHPOS-ZDUSSCGKSA-N 1 3 294.389 3.137 20 0 CGADHO c1coc([C@@H](CNc2[nH+]ccc3[nH]ccc32)N2CCCC2)c1 ZINC000647846715 392813784 /nfs/dbraw/zinc/81/37/84/392813784.db2.gz PBMQFKGKQIWEGL-OAHLLOKOSA-N 1 3 296.374 3.405 20 0 CGADHO Cc1ccc(CCC2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874429 392821061 /nfs/dbraw/zinc/82/10/61/392821061.db2.gz VNDRYNOPQGYKDI-IBGZPJMESA-N 1 3 286.463 3.249 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1C ZINC000647881221 392823122 /nfs/dbraw/zinc/82/31/22/392823122.db2.gz VIILFGNLIMDDHC-WBVHZDCISA-N 1 3 258.409 3.050 20 0 CGADHO CCC(C)(C)CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903275 392829226 /nfs/dbraw/zinc/82/92/26/392829226.db2.gz INKLOJXAHXCMFW-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)[C@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392282171 392929724 /nfs/dbraw/zinc/92/97/24/392929724.db2.gz RYGWJUIHQRCBLH-HOTGVXAUSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000514104463 542733919 /nfs/dbraw/zinc/73/39/19/542733919.db2.gz KAJJYSSXKAZZJQ-ROUUACIJSA-N 1 3 290.451 3.151 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(C)ns1 ZINC000404473027 392965462 /nfs/dbraw/zinc/96/54/62/392965462.db2.gz ZXHWTDSDBDKFPR-GFCCVEGCSA-N 1 3 269.458 3.052 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H](C)[C@@]1(C)CCCO1 ZINC000340229668 392967660 /nfs/dbraw/zinc/96/76/60/392967660.db2.gz ZLSZQCLLWBSEIK-HZPDHXFCSA-N 1 3 270.461 3.046 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CCN3CCC[C@@H]3C1)C2 ZINC000648427499 393011989 /nfs/dbraw/zinc/01/19/89/393011989.db2.gz WQBZDNHDWLLFNT-IPMKNSEASA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000648427499 393011994 /nfs/dbraw/zinc/01/19/94/393011994.db2.gz WQBZDNHDWLLFNT-IPMKNSEASA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CCC[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000648427499 393011999 /nfs/dbraw/zinc/01/19/99/393011999.db2.gz WQBZDNHDWLLFNT-IPMKNSEASA-N 1 3 284.447 3.150 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)[C@H]1CCOC1 ZINC000343496506 393028023 /nfs/dbraw/zinc/02/80/23/393028023.db2.gz GHVOMKQZKOCIKI-CVYDXHPNSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414990104 393082987 /nfs/dbraw/zinc/08/29/87/393082987.db2.gz ORLDEXGXUJCCIT-RRFJBIMHSA-N 1 3 266.816 3.303 20 0 CGADHO Cc1cc(F)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414993811 393084253 /nfs/dbraw/zinc/08/42/53/393084253.db2.gz CTVLFEPTFQYFGT-VXGBXAGGSA-N 1 3 284.806 3.395 20 0 CGADHO Cc1cc(F)c(CNC[C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414993810 393084460 /nfs/dbraw/zinc/08/44/60/393084460.db2.gz CTVLFEPTFQYFGT-RYUDHWBXSA-N 1 3 284.806 3.395 20 0 CGADHO CC[C@@H](CC(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000546937288 393084775 /nfs/dbraw/zinc/08/47/75/393084775.db2.gz DLYITSPVAGASFE-LBPRGKRZSA-N 1 3 278.362 3.181 20 0 CGADHO CC[C@@H](C)C[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415005580 393089451 /nfs/dbraw/zinc/08/94/51/393089451.db2.gz PFJPUXVVJIBNHR-UKPHBRMFSA-N 1 3 278.415 3.155 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2ccsc2)n1 ZINC000415008206 393090908 /nfs/dbraw/zinc/09/09/08/393090908.db2.gz CWBAQMVYLARSOA-NSHDSACASA-N 1 3 295.477 3.479 20 0 CGADHO Cc1ccc(-c2cccc(C[NH2+][C@H](C)[C@H](C)N)c2)cc1 ZINC000415007048 393091282 /nfs/dbraw/zinc/09/12/82/393091282.db2.gz LBJRCGQZDZBXAT-LSDHHAIUSA-N 1 3 268.404 3.487 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000415012616 393095262 /nfs/dbraw/zinc/09/52/62/393095262.db2.gz SVNBYGIIYYKDPR-QWRGUYRKSA-N 1 3 278.396 3.380 20 0 CGADHO COc1c(Cl)cc(Cl)cc1CN[C@@H](C)CCC[NH3+] ZINC000415023451 393101712 /nfs/dbraw/zinc/10/17/12/393101712.db2.gz MWIFKLZFFSFWJL-VIFPVBQESA-N 1 3 291.222 3.219 20 0 CGADHO CC(C)c1ccc(CC[NH2+]C2(C)CCNCC2)cc1 ZINC000414949038 393059097 /nfs/dbraw/zinc/05/90/97/393059097.db2.gz ZLBFHZGCQJRYKU-UHFFFAOYSA-N 1 3 260.425 3.084 20 0 CGADHO CC(C)c1ccc(CCNC2(C)CC[NH2+]CC2)cc1 ZINC000414949038 393059104 /nfs/dbraw/zinc/05/91/04/393059104.db2.gz ZLBFHZGCQJRYKU-UHFFFAOYSA-N 1 3 260.425 3.084 20 0 CGADHO Fc1c(Cl)cccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414963914 393070018 /nfs/dbraw/zinc/07/00/18/393070018.db2.gz DLCMFCGYEYAUFH-GFCCVEGCSA-N 1 3 270.779 3.101 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000414977704 393077151 /nfs/dbraw/zinc/07/71/51/393077151.db2.gz KPRKVFTXGCCFLG-HNNXBMFYSA-N 1 3 285.391 3.009 20 0 CGADHO Fc1cccc(Cl)c1CNCCC[C@H]1CCC[NH2+]1 ZINC000414982040 393078393 /nfs/dbraw/zinc/07/83/93/393078393.db2.gz YETWGTSICBCUDR-NSHDSACASA-N 1 3 270.779 3.101 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414982128 393079030 /nfs/dbraw/zinc/07/90/30/393079030.db2.gz YLECOGXZKJIKHZ-SFHVURJKSA-N 1 3 295.430 3.226 20 0 CGADHO [NH3+]CCC[C@@H](NCc1ccccc1F)c1ccccc1 ZINC000415048951 393113091 /nfs/dbraw/zinc/11/30/91/393113091.db2.gz GUAPYIQLUNYULY-QGZVFWFLSA-N 1 3 272.367 3.396 20 0 CGADHO Cc1cccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000415053660 393115518 /nfs/dbraw/zinc/11/55/18/393115518.db2.gz OZSJXJFWHMUOOG-FUHWJXTLSA-N 1 3 272.436 3.267 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415071171 393128290 /nfs/dbraw/zinc/12/82/90/393128290.db2.gz SIIRPGBMKZFWHB-ROUUACIJSA-N 1 3 272.436 3.363 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCCNC1CC1 ZINC000415071658 393128363 /nfs/dbraw/zinc/12/83/63/393128363.db2.gz UBJXSSVTQJKUGS-HNNXBMFYSA-N 1 3 274.452 3.475 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415075774 393131648 /nfs/dbraw/zinc/13/16/48/393131648.db2.gz AEYPSWVNFAWLNP-JKSUJKDBSA-N 1 3 274.452 3.393 20 0 CGADHO Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000415083451 393136636 /nfs/dbraw/zinc/13/66/36/393136636.db2.gz FLXPBNDMSJUZIG-HNNXBMFYSA-N 1 3 260.425 3.004 20 0 CGADHO Cc1ccccc1C(C)(C)CN[C@H]1CCC[NH2+]CC1 ZINC000415083451 393136641 /nfs/dbraw/zinc/13/66/41/393136641.db2.gz FLXPBNDMSJUZIG-HNNXBMFYSA-N 1 3 260.425 3.004 20 0 CGADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1cc2ccccc2o1 ZINC000415092932 393143090 /nfs/dbraw/zinc/14/30/90/393143090.db2.gz UIZJMQNCIPKXTH-ZFWWWQNUSA-N 1 3 272.392 3.096 20 0 CGADHO C1[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000415120503 393151258 /nfs/dbraw/zinc/15/12/58/393151258.db2.gz YHNGADKSZJYTTH-ILOCAZANSA-N 1 3 276.468 3.466 20 0 CGADHO C[C@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000415120571 393151552 /nfs/dbraw/zinc/15/15/52/393151552.db2.gz GLPLOFUSQQQCKB-HNAYVOBHSA-N 1 3 295.430 3.165 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc4cnccc43)C2)C1 ZINC000646243296 393246088 /nfs/dbraw/zinc/24/60/88/393246088.db2.gz YIXVSRJAEOMYST-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(Cc3cccc4cnccc43)C2)C1 ZINC000646243296 393246094 /nfs/dbraw/zinc/24/60/94/393246094.db2.gz YIXVSRJAEOMYST-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO c1cc2cccc(C[N@H+]3CC[C@H](CN4CCCCC4)C3)c2[nH]1 ZINC000271197564 393248081 /nfs/dbraw/zinc/24/80/81/393248081.db2.gz VBSNQIKRKRZFQW-MRXNPFEDSA-N 1 3 297.446 3.476 20 0 CGADHO c1cc2cccc(C[N@@H+]3CC[C@H](CN4CCCCC4)C3)c2[nH]1 ZINC000271197564 393248084 /nfs/dbraw/zinc/24/80/84/393248084.db2.gz VBSNQIKRKRZFQW-MRXNPFEDSA-N 1 3 297.446 3.476 20 0 CGADHO CSc1ccc(CN(C)CC2CC[NH+](C)CC2)s1 ZINC000356215818 393385428 /nfs/dbraw/zinc/38/54/28/393385428.db2.gz CNHLBFFBUUPBMI-UHFFFAOYSA-N 1 3 284.494 3.244 20 0 CGADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCN(C)C(C)C ZINC000479527472 393433567 /nfs/dbraw/zinc/43/35/67/393433567.db2.gz MRJINYVPPJGYRQ-CVEARBPZSA-N 1 3 252.446 3.299 20 0 CGADHO CC[C@@](C)(NCC[C@@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000420309287 393459060 /nfs/dbraw/zinc/45/90/60/393459060.db2.gz DWBGGCUIVVOFLS-DZGCQCFKSA-N 1 3 281.469 3.056 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301531 393483133 /nfs/dbraw/zinc/48/31/33/393483133.db2.gz QRQUBEPDDAFXAR-IXDOHACOSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301531 393483140 /nfs/dbraw/zinc/48/31/40/393483140.db2.gz QRQUBEPDDAFXAR-IXDOHACOSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301531 393483143 /nfs/dbraw/zinc/48/31/43/393483143.db2.gz QRQUBEPDDAFXAR-IXDOHACOSA-N 1 3 264.457 3.086 20 0 CGADHO CSc1ccccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392626 393483139 /nfs/dbraw/zinc/48/31/39/393483139.db2.gz IZVSOCGRSVOULW-GDBMZVCRSA-N 1 3 290.476 3.373 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000429535495 393475543 /nfs/dbraw/zinc/47/55/43/393475543.db2.gz IHELYEZYDLNPPN-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000429535495 393475548 /nfs/dbraw/zinc/47/55/48/393475548.db2.gz IHELYEZYDLNPPN-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCCC2CCCC2)CC1 ZINC000429535495 393475554 /nfs/dbraw/zinc/47/55/54/393475554.db2.gz IHELYEZYDLNPPN-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488333313 393489549 /nfs/dbraw/zinc/48/95/49/393489549.db2.gz UQBIUHBKOJNRBG-ZDUSSCGKSA-N 1 3 289.398 3.081 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488333313 393489555 /nfs/dbraw/zinc/48/95/55/393489555.db2.gz UQBIUHBKOJNRBG-ZDUSSCGKSA-N 1 3 289.398 3.081 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)CS1 ZINC000488449060 393518809 /nfs/dbraw/zinc/51/88/09/393518809.db2.gz OOWVVEDEIJEGLR-HZPDHXFCSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)CS1 ZINC000488449060 393518815 /nfs/dbraw/zinc/51/88/15/393518815.db2.gz OOWVVEDEIJEGLR-HZPDHXFCSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488451103 393520051 /nfs/dbraw/zinc/52/00/51/393520051.db2.gz UIXWOEBLYUQHHZ-BRWVUGGUSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488451103 393520058 /nfs/dbraw/zinc/52/00/58/393520058.db2.gz UIXWOEBLYUQHHZ-BRWVUGGUSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488451103 393520064 /nfs/dbraw/zinc/52/00/64/393520064.db2.gz UIXWOEBLYUQHHZ-BRWVUGGUSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430143668 393528893 /nfs/dbraw/zinc/52/88/93/393528893.db2.gz CTVLJINPRKRNNT-LJQANCHMSA-N 1 3 286.463 3.380 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430143668 393528897 /nfs/dbraw/zinc/52/88/97/393528897.db2.gz CTVLJINPRKRNNT-LJQANCHMSA-N 1 3 286.463 3.380 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)CS1 ZINC000488531553 393534303 /nfs/dbraw/zinc/53/43/03/393534303.db2.gz FFZWLTVFSDETSE-GJZGRUSLSA-N 1 3 284.513 3.228 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CS1 ZINC000488531553 393534306 /nfs/dbraw/zinc/53/43/06/393534306.db2.gz FFZWLTVFSDETSE-GJZGRUSLSA-N 1 3 284.513 3.228 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCc2ccc(Cl)cc2)C1 ZINC000430565497 393576989 /nfs/dbraw/zinc/57/69/89/393576989.db2.gz AMPXUJKYNBCNBV-UKRRQHHQSA-N 1 3 280.843 3.332 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]2NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770348 542814925 /nfs/dbraw/zinc/81/49/25/542814925.db2.gz VVORZKNXOQXMQC-YESZJQIVSA-N 1 3 258.409 3.054 20 0 CGADHO NC[C@H]1CCC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000430653462 393584456 /nfs/dbraw/zinc/58/44/56/393584456.db2.gz OUGYMDBXVCIMEU-MRXNPFEDSA-N 1 3 282.431 3.443 20 0 CGADHO NC[C@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000430653462 393584459 /nfs/dbraw/zinc/58/44/59/393584459.db2.gz OUGYMDBXVCIMEU-MRXNPFEDSA-N 1 3 282.431 3.443 20 0 CGADHO [NH3+]C[C@H]1CCCN(CCCc2cccc3ccccc32)C1 ZINC000430653462 393584463 /nfs/dbraw/zinc/58/44/63/393584463.db2.gz OUGYMDBXVCIMEU-MRXNPFEDSA-N 1 3 282.431 3.443 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000360910177 393613338 /nfs/dbraw/zinc/61/33/38/393613338.db2.gz RQDRZRCRXJDVNC-AEFFLSMTSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@@H](NCCc1c(Cl)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000422731498 393640414 /nfs/dbraw/zinc/64/04/14/393640414.db2.gz HEBAJTPHQCSABN-MNOVXSKESA-N 1 3 287.234 3.124 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccc(F)cc1Cl ZINC000422727354 393640816 /nfs/dbraw/zinc/64/08/16/393640816.db2.gz HGNLJTMBDAWERS-XHDPSFHLSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(F)cc1 ZINC000422703316 393641007 /nfs/dbraw/zinc/64/10/07/393641007.db2.gz HQJIKBMIOIEZQJ-XJKSGUPXSA-N 1 3 278.415 3.210 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](c2ccccc2)C1 ZINC000433079243 393683082 /nfs/dbraw/zinc/68/30/82/393683082.db2.gz YUPOBIWXRWWJQM-ZWKOTPCHSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](c2ccccc2)C1 ZINC000433079243 393683086 /nfs/dbraw/zinc/68/30/86/393683086.db2.gz YUPOBIWXRWWJQM-ZWKOTPCHSA-N 1 3 272.436 3.350 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000423050566 393648719 /nfs/dbraw/zinc/64/87/19/393648719.db2.gz MJBDZQDVHQLNOA-GOEBONIOSA-N 1 3 250.430 3.245 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCCCC1(F)F ZINC000423148309 393652360 /nfs/dbraw/zinc/65/23/60/393652360.db2.gz UYFKEQHSVXDYKG-JHJVBQTASA-N 1 3 260.372 3.062 20 0 CGADHO C[C@@H]([NH2+]CC1(C)CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000432860624 393653161 /nfs/dbraw/zinc/65/31/61/393653161.db2.gz TVBMDBHSLWQIHM-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423332923 393662560 /nfs/dbraw/zinc/66/25/60/393662560.db2.gz HMDFPVMRWWPICH-ROUUACIJSA-N 1 3 292.442 3.372 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423456912 393668409 /nfs/dbraw/zinc/66/84/09/393668409.db2.gz DXARJNYVXVXBBU-GOEBONIOSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CCCNC2CC2)c2sccc21 ZINC000423568627 393673331 /nfs/dbraw/zinc/67/33/31/393673331.db2.gz VSQLWJYDIPBHCL-SMDDNHRTSA-N 1 3 264.438 3.418 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349248 393754137 /nfs/dbraw/zinc/75/41/37/393754137.db2.gz UEDDQXLXWJLMFP-INIZCTEOSA-N 1 3 294.483 3.284 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443349248 393754139 /nfs/dbraw/zinc/75/41/39/393754139.db2.gz UEDDQXLXWJLMFP-INIZCTEOSA-N 1 3 294.483 3.284 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCc2ccccc2C1 ZINC000499951170 393811701 /nfs/dbraw/zinc/81/17/01/393811701.db2.gz RPRNQJDJUQOGAC-QGZVFWFLSA-N 1 3 286.463 3.209 20 0 CGADHO CN(CCSC1CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000500073996 393816768 /nfs/dbraw/zinc/81/67/68/393816768.db2.gz MGGNOIJJQIEISD-HNNXBMFYSA-N 1 3 284.513 3.326 20 0 CGADHO CN(CCSC1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000500073996 393816770 /nfs/dbraw/zinc/81/67/70/393816770.db2.gz MGGNOIJJQIEISD-HNNXBMFYSA-N 1 3 284.513 3.326 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000502279994 393872373 /nfs/dbraw/zinc/87/23/73/393872373.db2.gz HUOARXZVKDLABO-GVDBMIGSSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995485 542833515 /nfs/dbraw/zinc/83/35/15/542833515.db2.gz OYIOCRZFPKSXJB-ZNMIVQPWSA-N 1 3 252.446 3.466 20 0 CGADHO c1ccc(C2CC2)c(C[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000666996691 542833734 /nfs/dbraw/zinc/83/37/34/542833734.db2.gz AFSTUNKGTIKEKF-MRXNPFEDSA-N 1 3 270.420 3.328 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995766 542833984 /nfs/dbraw/zinc/83/39/84/542833984.db2.gz ZSSHMVWZCPPCPA-PBHICJAKSA-N 1 3 290.426 3.411 20 0 CGADHO Cc1ccc(C)c(C[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000666999398 542834665 /nfs/dbraw/zinc/83/46/65/542834665.db2.gz CLSKAHXIEWLFSC-INIZCTEOSA-N 1 3 258.409 3.068 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(OCCN(C)C)cc1 ZINC000453226766 394211507 /nfs/dbraw/zinc/21/15/07/394211507.db2.gz AHWWDPSKRKTZOR-BZOOQXSSSA-N 1 3 294.414 3.168 20 0 CGADHO CCc1cccnc1[C@H](C)NCCCC[N@H+](C)C1CC1 ZINC000453394930 394230413 /nfs/dbraw/zinc/23/04/13/394230413.db2.gz HLDXHDWSMSPFJZ-AWEZNQCLSA-N 1 3 275.440 3.169 20 0 CGADHO CCc1cccnc1[C@H](C)NCCCC[N@@H+](C)C1CC1 ZINC000453394930 394230418 /nfs/dbraw/zinc/23/04/18/394230418.db2.gz HLDXHDWSMSPFJZ-AWEZNQCLSA-N 1 3 275.440 3.169 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000453141846 394185180 /nfs/dbraw/zinc/18/51/80/394185180.db2.gz UCPZQUVEUUDNEH-BPQIPLTHSA-N 1 3 289.467 3.255 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000668513731 543022630 /nfs/dbraw/zinc/02/26/30/543022630.db2.gz WRHUHCCDHFRWGL-QYZOEREBSA-N 1 3 299.462 3.072 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CS1 ZINC000668818754 543066004 /nfs/dbraw/zinc/06/60/04/543066004.db2.gz KSTMLWKBWSAMHS-IKGGRYGDSA-N 1 3 296.524 3.228 20 0 CGADHO COC(C)(C)[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000671115009 543159368 /nfs/dbraw/zinc/15/93/68/543159368.db2.gz JVQVNQUUPZRMSE-AWEZNQCLSA-N 1 3 282.472 3.187 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000671115009 543159371 /nfs/dbraw/zinc/15/93/71/543159371.db2.gz JVQVNQUUPZRMSE-AWEZNQCLSA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767066 397681750 /nfs/dbraw/zinc/68/17/50/397681750.db2.gz GAOWNEWIZWZQNJ-JKSUJKDBSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767066 397681753 /nfs/dbraw/zinc/68/17/53/397681753.db2.gz GAOWNEWIZWZQNJ-JKSUJKDBSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1=CCCC1 ZINC000308767066 397681755 /nfs/dbraw/zinc/68/17/55/397681755.db2.gz GAOWNEWIZWZQNJ-JKSUJKDBSA-N 1 3 262.441 3.339 20 0 CGADHO c1cc2c(c(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)c1)CCC2 ZINC000650704318 397897607 /nfs/dbraw/zinc/89/76/07/397897607.db2.gz SZMJEWAKVITMEX-LPHOPBHVSA-N 1 3 284.447 3.139 20 0 CGADHO [NH3+]CC1(CCNCc2ccc(Cl)cc2Cl)CC1 ZINC000650712074 397899095 /nfs/dbraw/zinc/89/90/95/397899095.db2.gz PSQRIHHBXIQCGY-UHFFFAOYSA-N 1 3 273.207 3.212 20 0 CGADHO [NH3+]CC1(CCNCc2ccc(-c3ccncc3)cc2F)CC1 ZINC000650713182 397899582 /nfs/dbraw/zinc/89/95/82/397899582.db2.gz IPLMXXHEYFWLMU-UHFFFAOYSA-N 1 3 299.393 3.106 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2ccccc2F)CCC1 ZINC000650740082 397904459 /nfs/dbraw/zinc/90/44/59/397904459.db2.gz GCXMKSQHTMYXBU-IAGOWNOFSA-N 1 3 290.426 3.497 20 0 CGADHO CC[C@@H](NCc1ccccc1C[NH2+]C)c1ccncc1 ZINC000650755225 397909221 /nfs/dbraw/zinc/90/92/21/397909221.db2.gz ABFVKBXVYLSGEI-QGZVFWFLSA-N 1 3 269.392 3.042 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237957 543440547 /nfs/dbraw/zinc/44/05/47/543440547.db2.gz RYIRXXFVSYPSMZ-IUSBLUBVSA-N 1 3 288.479 3.275 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239984 543441059 /nfs/dbraw/zinc/44/10/59/543441059.db2.gz CFRGHJGBNJHAQY-XYPHTWIQSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239984 543441061 /nfs/dbraw/zinc/44/10/61/543441061.db2.gz CFRGHJGBNJHAQY-XYPHTWIQSA-N 1 3 276.399 3.146 20 0 CGADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC(C)C ZINC000678139870 543487866 /nfs/dbraw/zinc/48/78/66/543487866.db2.gz BQBRECDJVIRORQ-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)CC(C)C ZINC000678139870 543487868 /nfs/dbraw/zinc/48/78/68/543487868.db2.gz BQBRECDJVIRORQ-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO C[C@H]1CCC[C@@H](C[NH+]2CCN(c3ccncc3)CC2)C1 ZINC000678461922 543527678 /nfs/dbraw/zinc/52/76/78/543527678.db2.gz AKTUWZSBQACFRG-JKSUJKDBSA-N 1 3 273.424 3.030 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000678590827 543539342 /nfs/dbraw/zinc/53/93/42/543539342.db2.gz KMXWTYZGJTVTPP-IPELMVKDSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000678590827 543539344 /nfs/dbraw/zinc/53/93/44/543539344.db2.gz KMXWTYZGJTVTPP-IPELMVKDSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCN3CCC[C@H]3C1)C2 ZINC000678590827 543539347 /nfs/dbraw/zinc/53/93/47/543539347.db2.gz KMXWTYZGJTVTPP-IPELMVKDSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000678596657 543540389 /nfs/dbraw/zinc/54/03/89/543540389.db2.gz IDKJEARGRCVROJ-YCVVXREPSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000678596657 543540391 /nfs/dbraw/zinc/54/03/91/543540391.db2.gz IDKJEARGRCVROJ-YCVVXREPSA-N 1 3 284.447 3.395 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422786901 286393027 /nfs/dbraw/zinc/39/30/27/286393027.db2.gz TWYALMOZFDTZGV-JLSDUUJJSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422786901 286393028 /nfs/dbraw/zinc/39/30/28/286393028.db2.gz TWYALMOZFDTZGV-JLSDUUJJSA-N 1 3 288.435 3.180 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@H]1CCC[NH2+]C1 ZINC000423215345 292298311 /nfs/dbraw/zinc/29/83/11/292298311.db2.gz QLXOXOKRNDGUKY-KBXCAEBGSA-N 1 3 297.446 3.443 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CCCNC1 ZINC000423215345 292298314 /nfs/dbraw/zinc/29/83/14/292298314.db2.gz QLXOXOKRNDGUKY-KBXCAEBGSA-N 1 3 297.446 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000423386021 292368779 /nfs/dbraw/zinc/36/87/79/292368779.db2.gz LSDSFUNANODTBV-IIAWOOMASA-N 1 3 274.408 3.068 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414825598 298384753 /nfs/dbraw/zinc/38/47/53/298384753.db2.gz TXALMTWGVCWWCR-UTUOFQBUSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CCCc1ccccc1)C1CNC1 ZINC000422983578 287016076 /nfs/dbraw/zinc/01/60/76/287016076.db2.gz UCXLSXIHVCBBDA-OAHLLOKOSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H](C)C1CCCCC1 ZINC000423396509 287059970 /nfs/dbraw/zinc/05/99/70/287059970.db2.gz UGDFMFXLQVKUCM-HLPPOEQASA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)CN1CCCC1 ZINC000079979206 287062072 /nfs/dbraw/zinc/06/20/72/287062072.db2.gz GFBPDHKPRKJLFV-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]CCCN(CC)CC)C12CCCC2 ZINC000085678009 165183374 /nfs/dbraw/zinc/18/33/74/165183374.db2.gz SJMDBAFAAYJPLO-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CCO[C@H]1C[C@H](NCCC[NH+](CC)CC)C12CCCC2 ZINC000085678009 165183375 /nfs/dbraw/zinc/18/33/75/165183375.db2.gz SJMDBAFAAYJPLO-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000089145691 165199609 /nfs/dbraw/zinc/19/96/09/165199609.db2.gz ALDUYAMCQDGJQC-XQQFMLRXSA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)s1 ZINC000089145691 165199611 /nfs/dbraw/zinc/19/96/11/165199611.db2.gz ALDUYAMCQDGJQC-XQQFMLRXSA-N 1 3 252.427 3.225 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C(C)C ZINC000090586454 287103028 /nfs/dbraw/zinc/10/30/28/287103028.db2.gz NJYHJYWDPWHNNY-CVEARBPZSA-N 1 3 254.462 3.379 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639025 287117930 /nfs/dbraw/zinc/11/79/30/287117930.db2.gz AAJKEEOBGAXFPV-QAPCUYQASA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C)c2C)[C@H](C)C1 ZINC000093639025 287117932 /nfs/dbraw/zinc/11/79/32/287117932.db2.gz AAJKEEOBGAXFPV-QAPCUYQASA-N 1 3 274.452 3.466 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516306 287147835 /nfs/dbraw/zinc/14/78/35/287147835.db2.gz GLPFMCSVZFNUFJ-ZDUSSCGKSA-N 1 3 298.883 3.316 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](CCSc2ccc(Cl)cc2)C1 ZINC000113516306 287147840 /nfs/dbraw/zinc/14/78/40/287147840.db2.gz GLPFMCSVZFNUFJ-ZDUSSCGKSA-N 1 3 298.883 3.316 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CCOC1 ZINC000124253676 287231425 /nfs/dbraw/zinc/23/14/25/287231425.db2.gz ZGFVJRRCWOKFJZ-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO CCC(CC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000124781212 287237244 /nfs/dbraw/zinc/23/72/44/287237244.db2.gz FQAHKZDTTHKEAD-OWCLPIDISA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCCc2n[nH]cc21 ZINC000367633557 287267048 /nfs/dbraw/zinc/26/70/48/287267048.db2.gz IJGRYJOJTSDBHR-GDBMZVCRSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCCc2n[nH]cc21 ZINC000367633557 287267050 /nfs/dbraw/zinc/26/70/50/287267050.db2.gz IJGRYJOJTSDBHR-GDBMZVCRSA-N 1 3 290.455 3.031 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH+]1CCCC1)CC2 ZINC000126566660 287267701 /nfs/dbraw/zinc/26/77/01/287267701.db2.gz GWIQCDXFGXDOJR-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN1CCCC1)CC2 ZINC000126566660 287267704 /nfs/dbraw/zinc/26/77/04/287267704.db2.gz GWIQCDXFGXDOJR-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000252196589 287268728 /nfs/dbraw/zinc/26/87/28/287268728.db2.gz SLMXBDVIKALVSP-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]([NH2+]C1CCNCC1)c1ccc(Cl)cc1 ZINC000038041036 174041241 /nfs/dbraw/zinc/04/12/41/174041241.db2.gz LGCHYCNGBWHMPK-CQSZACIVSA-N 1 3 252.789 3.133 20 0 CGADHO C[C@@H](c1cccc2ccccc21)[N@@H+]1CC[C@H](CN)C1 ZINC000050245369 416476213 /nfs/dbraw/zinc/47/62/13/416476213.db2.gz XRQDPKPKQNRQTP-UONOGXRCSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](CN)C1 ZINC000050245369 416476216 /nfs/dbraw/zinc/47/62/16/416476216.db2.gz XRQDPKPKQNRQTP-UONOGXRCSA-N 1 3 254.377 3.181 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@H](C)[C@H]3CC[NH3+])ccc2n1 ZINC000404329493 416552886 /nfs/dbraw/zinc/55/28/86/416552886.db2.gz YBTOOVFMZXTBDF-IFXJQAMLSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCC[C@H](C)[C@H]3CCN)ccc2n1 ZINC000404329493 416552889 /nfs/dbraw/zinc/55/28/89/416552889.db2.gz YBTOOVFMZXTBDF-IFXJQAMLSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCC[C@H](C)[C@H]3CCN)ccc2n1 ZINC000404329493 416552891 /nfs/dbraw/zinc/55/28/91/416552891.db2.gz YBTOOVFMZXTBDF-IFXJQAMLSA-N 1 3 297.446 3.493 20 0 CGADHO CC[C@H]1CN(CCCOc2cc(C)ccc2C)CC[C@@H]1[NH3+] ZINC000122723571 416505792 /nfs/dbraw/zinc/50/57/92/416505792.db2.gz FPAQSIBMEJTSQJ-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC3CSC3)cc2)C1 ZINC000679625288 543651099 /nfs/dbraw/zinc/65/10/99/543651099.db2.gz QJWNTBWIZFPDDP-CQSZACIVSA-N 1 3 290.476 3.124 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3CSC3)cc2)C1 ZINC000679625288 543651101 /nfs/dbraw/zinc/65/11/01/543651101.db2.gz QJWNTBWIZFPDDP-CQSZACIVSA-N 1 3 290.476 3.124 20 0 CGADHO C[NH+]1CCC(C)(CNCc2cscc2Cl)CC1 ZINC000679484825 543640685 /nfs/dbraw/zinc/64/06/85/543640685.db2.gz WVMIXTVPBNGVBD-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC[C@@H]1CCCN1C ZINC000679540689 543643642 /nfs/dbraw/zinc/64/36/42/543643642.db2.gz ODIZBATZHMPVJU-AGIUHOORSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC[C@@H]1CCCN1C ZINC000679540689 543643645 /nfs/dbraw/zinc/64/36/45/543643645.db2.gz ODIZBATZHMPVJU-AGIUHOORSA-N 1 3 278.362 3.134 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683767119 543939845 /nfs/dbraw/zinc/93/98/45/543939845.db2.gz BOOLTZJEVQPWLV-INIZCTEOSA-N 1 3 283.419 3.056 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741816 418936357 /nfs/dbraw/zinc/93/63/57/418936357.db2.gz MBBWFKIFJPZCSX-DVOMOZLQSA-N 1 3 275.440 3.324 20 0 CGADHO CCC[NH+]1CCC(NC[C@H](OC)C2CCCCC2)CC1 ZINC000658330781 418937763 /nfs/dbraw/zinc/93/77/63/418937763.db2.gz VBUMWIZYDNDDGC-KRWDZBQOSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659949475 419043433 /nfs/dbraw/zinc/04/34/33/419043433.db2.gz XLYFIYRMIXWTND-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000659949475 419043437 /nfs/dbraw/zinc/04/34/37/419043437.db2.gz XLYFIYRMIXWTND-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000659949475 419043440 /nfs/dbraw/zinc/04/34/40/419043440.db2.gz XLYFIYRMIXWTND-KBPBESRZSA-N 1 3 274.399 3.086 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1=CCN(C)CC1)CC2 ZINC000655738968 419084042 /nfs/dbraw/zinc/08/40/42/419084042.db2.gz RSVVIIVRSSTZSM-QGZVFWFLSA-N 1 3 270.420 3.142 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000665232884 419087606 /nfs/dbraw/zinc/08/76/06/419087606.db2.gz WWTPKUGISHFXRY-XYVMCAHJSA-N 1 3 287.451 3.086 20 0 CGADHO CC1(C)[C@H]([NH2+]CC2(N)CCCC2)C[C@H]1Oc1ccccc1 ZINC000665246332 419091300 /nfs/dbraw/zinc/09/13/00/419091300.db2.gz BVJBFGMJWZDUDV-HZPDHXFCSA-N 1 3 288.435 3.094 20 0 CGADHO C[C@@H](NCC1([NH3+])CCCC1)C(C)(C)c1ccccc1 ZINC000665248536 419092307 /nfs/dbraw/zinc/09/23/07/419092307.db2.gz YRNDGPNHGXIVLV-CQSZACIVSA-N 1 3 260.425 3.214 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc21 ZINC000665262978 419095338 /nfs/dbraw/zinc/09/53/38/419095338.db2.gz DAGHGDOZKCWFJW-FXSNYSBCSA-N 1 3 256.393 3.157 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc2c(c1)CCC2 ZINC000665280868 419101365 /nfs/dbraw/zinc/10/13/65/419101365.db2.gz NMGRPFDQZWOIDF-CXAGYDPISA-N 1 3 260.425 3.199 20 0 CGADHO CCC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc(OC)cc1 ZINC000665281262 419102541 /nfs/dbraw/zinc/10/25/41/419102541.db2.gz YRYOAZYAFVANIH-IAGOWNOFSA-N 1 3 278.440 3.499 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665299473 419110431 /nfs/dbraw/zinc/11/04/31/419110431.db2.gz NUDGPVYQGLASBO-JJRVBVJISA-N 1 3 260.425 3.070 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@@]1(c2ccccc2)CC1(C)C ZINC000665299473 419110433 /nfs/dbraw/zinc/11/04/33/419110433.db2.gz NUDGPVYQGLASBO-JJRVBVJISA-N 1 3 260.425 3.070 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(N)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000660256165 419114553 /nfs/dbraw/zinc/11/45/53/419114553.db2.gz IURZBBYRENYOAD-ZBFHGGJFSA-N 1 3 287.451 3.011 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CS1 ZINC000655718285 419075819 /nfs/dbraw/zinc/07/58/19/419075819.db2.gz IEIBEDAEOUARIR-UKRRQHHQSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)CS1 ZINC000655718285 419075823 /nfs/dbraw/zinc/07/58/23/419075823.db2.gz IEIBEDAEOUARIR-UKRRQHHQSA-N 1 3 282.497 3.267 20 0 CGADHO Cc1c(C[NH3+])cccc1-c1cc(CN(C)C)ccc1F ZINC000665196381 419077428 /nfs/dbraw/zinc/07/74/28/419077428.db2.gz MEMCJYIHUUUYJQ-UHFFFAOYSA-N 1 3 272.367 3.321 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1c(Cl)cccc1Cl ZINC000656199853 419148548 /nfs/dbraw/zinc/14/85/48/419148548.db2.gz GASPQQFGHPWKJG-KGLIPLIRSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000656197327 419148912 /nfs/dbraw/zinc/14/89/12/419148912.db2.gz ZLMSSXXKVFGJHQ-DLBZAZTESA-N 1 3 272.436 3.358 20 0 CGADHO Cc1ccc(F)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656783948 419218113 /nfs/dbraw/zinc/21/81/13/419218113.db2.gz BKIMNNGXTODICC-INIZCTEOSA-N 1 3 290.426 3.346 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)NCC1([NH3+])CCCC1 ZINC000656789665 419220681 /nfs/dbraw/zinc/22/06/81/419220681.db2.gz VABXVPHJINOLIP-ZDUSSCGKSA-N 1 3 264.388 3.008 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657548080 419301852 /nfs/dbraw/zinc/30/18/52/419301852.db2.gz RDDDWDXYJOLVOG-KURKYZTESA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657548080 419301854 /nfs/dbraw/zinc/30/18/54/419301854.db2.gz RDDDWDXYJOLVOG-KURKYZTESA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000657548080 419301855 /nfs/dbraw/zinc/30/18/55/419301855.db2.gz RDDDWDXYJOLVOG-KURKYZTESA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657548081 419302156 /nfs/dbraw/zinc/30/21/56/419302156.db2.gz RDDDWDXYJOLVOG-KZNAEPCWSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657548081 419302159 /nfs/dbraw/zinc/30/21/59/419302159.db2.gz RDDDWDXYJOLVOG-KZNAEPCWSA-N 1 3 290.426 3.363 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000657548081 419302160 /nfs/dbraw/zinc/30/21/60/419302160.db2.gz RDDDWDXYJOLVOG-KZNAEPCWSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657559693 419304049 /nfs/dbraw/zinc/30/40/49/419304049.db2.gz PYGPEVPQKNIDAM-BMGDILEWSA-N 1 3 290.426 3.282 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657559693 419304052 /nfs/dbraw/zinc/30/40/52/419304052.db2.gz PYGPEVPQKNIDAM-BMGDILEWSA-N 1 3 290.426 3.282 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CN(CC[C@H]1CCC[NH2+]C1)CC3 ZINC000662304597 419388010 /nfs/dbraw/zinc/38/80/10/419388010.db2.gz BNSSQAZJHXCYSR-OAHLLOKOSA-N 1 3 297.446 3.224 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320788 419390090 /nfs/dbraw/zinc/39/00/90/419390090.db2.gz DREXXFGPHGMIJV-DOTOQJQBSA-N 1 3 264.457 3.278 20 0 CGADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320788 419390095 /nfs/dbraw/zinc/39/00/95/419390095.db2.gz DREXXFGPHGMIJV-DOTOQJQBSA-N 1 3 264.457 3.278 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCCSc1ccc(F)cc1F ZINC000662249201 419373938 /nfs/dbraw/zinc/37/39/38/419373938.db2.gz JKPQETOYLBQSAN-CQSZACIVSA-N 1 3 288.407 3.020 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662276882 419383028 /nfs/dbraw/zinc/38/30/28/419383028.db2.gz MOGIEOAECDJGJZ-WBVHZDCISA-N 1 3 272.436 3.084 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCC[C@H]1CCc2ccccc21 ZINC000662276882 419383034 /nfs/dbraw/zinc/38/30/34/419383034.db2.gz MOGIEOAECDJGJZ-WBVHZDCISA-N 1 3 272.436 3.084 20 0 CGADHO COC1([C@H](C)NCCC[NH+](C(C)C)C(C)C)CCC1 ZINC000657898571 419422828 /nfs/dbraw/zinc/42/28/28/419422828.db2.gz DURKGHJPFQLOJC-HNNXBMFYSA-N 1 3 270.461 3.043 20 0 CGADHO FCC1(CF)CC([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000657900336 419423176 /nfs/dbraw/zinc/42/31/76/419423176.db2.gz HYKSFLFYANZCMM-UHFFFAOYSA-N 1 3 286.410 3.071 20 0 CGADHO CC(C)[C@H](N)CC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000663502040 419637131 /nfs/dbraw/zinc/63/71/31/419637131.db2.gz DLLJAYOCQSEART-IAGOWNOFSA-N 1 3 262.441 3.389 20 0 CGADHO CC(C)[C@H]([NH3+])CCNC[C@@H](c1ccccc1)C(C)C ZINC000663502040 419637139 /nfs/dbraw/zinc/63/71/39/419637139.db2.gz DLLJAYOCQSEART-IAGOWNOFSA-N 1 3 262.441 3.389 20 0 CGADHO CSc1ccccc1C[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663502110 419637892 /nfs/dbraw/zinc/63/78/92/419637892.db2.gz FTESMRMTEYLKGL-DZGCQCFKSA-N 1 3 280.481 3.303 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCCC1 ZINC000663466008 419616704 /nfs/dbraw/zinc/61/67/04/419616704.db2.gz MZHGCGHRPNMXDU-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@H](C)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CCCC1 ZINC000663466008 419616712 /nfs/dbraw/zinc/61/67/12/419616712.db2.gz MZHGCGHRPNMXDU-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO COC1([C@H](C)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC000663466008 419616718 /nfs/dbraw/zinc/61/67/18/419616718.db2.gz MZHGCGHRPNMXDU-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663468499 419620769 /nfs/dbraw/zinc/62/07/69/419620769.db2.gz LMHFVTFYVVRVGK-RDJZCZTQSA-N 1 3 264.457 3.133 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCC1 ZINC000663466394 419621056 /nfs/dbraw/zinc/62/10/56/419621056.db2.gz SGODTGTTWSXNDY-NVXWUHKLSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165677 419631126 /nfs/dbraw/zinc/63/11/26/419631126.db2.gz JWVUNSKGHZAZSX-KRWDZBQOSA-N 1 3 287.451 3.072 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC000658220798 419673717 /nfs/dbraw/zinc/67/37/17/419673717.db2.gz IMEXWKXAXXCNKT-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000658237395 419694942 /nfs/dbraw/zinc/69/49/42/419694942.db2.gz ZRYNPCZKJARRDC-KDOFPFPSSA-N 1 3 290.451 3.466 20 0 CGADHO CCCC[N@H+](C)C[C@H](C)Nc1nccc2[nH]ccc21 ZINC000663914571 419756714 /nfs/dbraw/zinc/75/67/14/419756714.db2.gz AIVUJMBZDNPPOV-LBPRGKRZSA-N 1 3 260.385 3.095 20 0 CGADHO CCCC[N@@H+](C)C[C@H](C)Nc1nccc2[nH]ccc21 ZINC000663914571 419756717 /nfs/dbraw/zinc/75/67/17/419756717.db2.gz AIVUJMBZDNPPOV-LBPRGKRZSA-N 1 3 260.385 3.095 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCC(C)(F)F ZINC000390083523 262112793 /nfs/dbraw/zinc/11/27/93/262112793.db2.gz DTRRUBPEUFWEDQ-OLZOCXBDSA-N 1 3 262.388 3.322 20 0 CGADHO FC1(F)CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000390692177 262241594 /nfs/dbraw/zinc/24/15/94/262241594.db2.gz AZSCLKMOBHAIRT-KBUPBQIOSA-N 1 3 286.410 3.322 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000390692177 262241595 /nfs/dbraw/zinc/24/15/95/262241595.db2.gz AZSCLKMOBHAIRT-KBUPBQIOSA-N 1 3 286.410 3.322 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC(C)CC2)cc1 ZINC000021011211 262373256 /nfs/dbraw/zinc/37/32/56/262373256.db2.gz WTRLCNUPQQVUCK-INIZCTEOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H](CN[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000062077201 262408939 /nfs/dbraw/zinc/40/89/39/262408939.db2.gz YQVKGQFFLCWMHW-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)CN1CCCC1 ZINC000062077201 262408940 /nfs/dbraw/zinc/40/89/40/262408940.db2.gz YQVKGQFFLCWMHW-MAUKXSAKSA-N 1 3 272.436 3.386 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000044535099 270036045 /nfs/dbraw/zinc/03/60/45/270036045.db2.gz BBADGCCTJQPTSQ-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000044535099 270036046 /nfs/dbraw/zinc/03/60/46/270036046.db2.gz BBADGCCTJQPTSQ-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000044532542 270036062 /nfs/dbraw/zinc/03/60/62/270036062.db2.gz DWCCRTQRYIFQCY-CHWSQXEVSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044532542 270036063 /nfs/dbraw/zinc/03/60/63/270036063.db2.gz DWCCRTQRYIFQCY-CHWSQXEVSA-N 1 3 266.454 3.303 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218952485 270085570 /nfs/dbraw/zinc/08/55/70/270085570.db2.gz RTRBEQAHMHFMDQ-OLZOCXBDSA-N 1 3 280.378 3.427 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328153323 270095123 /nfs/dbraw/zinc/09/51/23/270095123.db2.gz FZEMHZXYGYKSME-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701202 270132687 /nfs/dbraw/zinc/13/26/87/270132687.db2.gz SVVNPGMKNMTMHP-KBMXLJTQSA-N 1 3 264.457 3.133 20 0 CGADHO C(C[C@@H]1CCCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000527739123 270133486 /nfs/dbraw/zinc/13/34/86/270133486.db2.gz NTMBYDYNFDLBGH-INIZCTEOSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527868216 270140860 /nfs/dbraw/zinc/14/08/60/270140860.db2.gz CPCZMLDFPUAXKK-ARFHVFGLSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000527921775 270144252 /nfs/dbraw/zinc/14/42/52/270144252.db2.gz UYAINYOKHDIUSA-QAPCUYQASA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000527921775 270144253 /nfs/dbraw/zinc/14/42/53/270144253.db2.gz UYAINYOKHDIUSA-QAPCUYQASA-N 1 3 274.452 3.315 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528397538 270164170 /nfs/dbraw/zinc/16/41/70/270164170.db2.gz DCUGRSXLMFIWKE-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528397538 270164171 /nfs/dbraw/zinc/16/41/71/270164171.db2.gz DCUGRSXLMFIWKE-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528397538 270164172 /nfs/dbraw/zinc/16/41/72/270164172.db2.gz DCUGRSXLMFIWKE-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528397538 270164173 /nfs/dbraw/zinc/16/41/73/270164173.db2.gz DCUGRSXLMFIWKE-AWEZNQCLSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](CN(C)C[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249279 270197495 /nfs/dbraw/zinc/19/74/95/270197495.db2.gz UOVSZMRYFASFNP-ZBFHGGJFSA-N 1 3 252.446 3.134 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000530623412 270201053 /nfs/dbraw/zinc/20/10/53/270201053.db2.gz RBVMZYHWQLUKQF-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000530623412 270201054 /nfs/dbraw/zinc/20/10/54/270201054.db2.gz RBVMZYHWQLUKQF-HNNXBMFYSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)CN(C)C ZINC000491543649 274479877 /nfs/dbraw/zinc/47/98/77/274479877.db2.gz GWUSZJAXLSZUER-CVEARBPZSA-N 1 3 262.441 3.043 20 0 CGADHO [NH3+]C1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020521499 274943777 /nfs/dbraw/zinc/94/37/77/274943777.db2.gz SFXRLEOJXALUKF-UHFFFAOYSA-N 1 3 264.372 3.180 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000464882270 276072839 /nfs/dbraw/zinc/07/28/39/276072839.db2.gz GHIAUHSQSXSWOE-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000464882270 276072840 /nfs/dbraw/zinc/07/28/40/276072840.db2.gz GHIAUHSQSXSWOE-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[C@H](C)C2)C1 ZINC000464882270 276072841 /nfs/dbraw/zinc/07/28/41/276072841.db2.gz GHIAUHSQSXSWOE-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[C@H](C)C2)C1 ZINC000464882270 276072842 /nfs/dbraw/zinc/07/28/42/276072842.db2.gz GHIAUHSQSXSWOE-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CC1(C)CCC[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423401245 276107892 /nfs/dbraw/zinc/10/78/92/276107892.db2.gz VXFJSDDWZHSBMO-MRXNPFEDSA-N 1 3 258.409 3.348 20 0 CGADHO CCO[C@@H]1CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000449757100 276337671 /nfs/dbraw/zinc/33/76/71/276337671.db2.gz RHEBXXSBEXSDKC-QZTJIDSGSA-N 1 3 294.483 3.331 20 0 CGADHO CCO[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449757100 276337672 /nfs/dbraw/zinc/33/76/72/276337672.db2.gz RHEBXXSBEXSDKC-QZTJIDSGSA-N 1 3 294.483 3.331 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000344317956 277023357 /nfs/dbraw/zinc/02/33/57/277023357.db2.gz FVZAHBXANVWKGJ-MRXNPFEDSA-N 1 3 276.811 3.179 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@H]21 ZINC000410415841 277068462 /nfs/dbraw/zinc/06/84/62/277068462.db2.gz XLMABJGVXOEWSN-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCC(C)(C)C)CC[C@H]21 ZINC000410415841 277068463 /nfs/dbraw/zinc/06/84/63/277068463.db2.gz XLMABJGVXOEWSN-HUUCEWRRSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000453428256 277151771 /nfs/dbraw/zinc/15/17/71/277151771.db2.gz PQLCTWCIRMJNTJ-AWEZNQCLSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845177 277175971 /nfs/dbraw/zinc/17/59/71/277175971.db2.gz VOULHKSTSXTOLP-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000336845177 277175972 /nfs/dbraw/zinc/17/59/72/277175972.db2.gz VOULHKSTSXTOLP-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000336845177 277175973 /nfs/dbraw/zinc/17/59/73/277175973.db2.gz VOULHKSTSXTOLP-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442876904 277346257 /nfs/dbraw/zinc/34/62/57/277346257.db2.gz SIPVTGXJUGFACI-UHFFFAOYSA-N 1 3 297.531 3.063 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000494329253 277392083 /nfs/dbraw/zinc/39/20/83/277392083.db2.gz FHKATPHHVGIYGE-GTPINHCMSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000494329253 277392084 /nfs/dbraw/zinc/39/20/84/277392084.db2.gz FHKATPHHVGIYGE-GTPINHCMSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CNC2CC(OC(C)(C)C)C2)C1 ZINC000494329253 277392085 /nfs/dbraw/zinc/39/20/85/277392085.db2.gz FHKATPHHVGIYGE-GTPINHCMSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCCNC1 ZINC000414827703 277618272 /nfs/dbraw/zinc/61/82/72/277618272.db2.gz YGIJXVUXIHOGOG-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422718220 277789150 /nfs/dbraw/zinc/78/91/50/277789150.db2.gz PLLPLOXHQHHSOR-FXUDXRNXSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@@H]1C[C@H](NCCC[N@H+](C)C2CCCCC2)[C@H]1C ZINC000311237118 278025570 /nfs/dbraw/zinc/02/55/70/278025570.db2.gz WXGXVTZXHNNYKQ-YCPHGPKFSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H](NCCC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000311237118 278025572 /nfs/dbraw/zinc/02/55/72/278025572.db2.gz WXGXVTZXHNNYKQ-YCPHGPKFSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCN(C)C2CCCCC2)[C@H]1C ZINC000311237118 278025573 /nfs/dbraw/zinc/02/55/73/278025573.db2.gz WXGXVTZXHNNYKQ-YCPHGPKFSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCCc2c(Cl)cccc21 ZINC000423226418 278226606 /nfs/dbraw/zinc/22/66/06/278226606.db2.gz QREKWGBRHJEMAO-HZMBPMFUSA-N 1 3 252.789 3.044 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CC1(C)C ZINC000397737044 288028645 /nfs/dbraw/zinc/02/86/45/288028645.db2.gz GWXMFYRYILLBMW-WCVJEAGWSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000397832631 288032072 /nfs/dbraw/zinc/03/20/72/288032072.db2.gz RXHPPUPVAQYOPQ-ARFHVFGLSA-N 1 3 250.430 3.243 20 0 CGADHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000245549996 278343891 /nfs/dbraw/zinc/34/38/91/278343891.db2.gz ZZSFAQZFMDMBNY-IXDOHACOSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1 ZINC000245549996 278343892 /nfs/dbraw/zinc/34/38/92/278343892.db2.gz ZZSFAQZFMDMBNY-IXDOHACOSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](NC[C@H]1CCCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423127599 278354010 /nfs/dbraw/zinc/35/40/10/278354010.db2.gz JSNXGUQYXRCQRI-RDBSUJKOSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H](C)N ZINC000423434609 278374645 /nfs/dbraw/zinc/37/46/45/278374645.db2.gz DBTNTEXKJQSXCW-JOAULVNJSA-N 1 3 273.207 3.306 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCCN1)C1CCOCC1 ZINC000422807179 288059372 /nfs/dbraw/zinc/05/93/72/288059372.db2.gz JETQTNRFHAAHIC-XIRDDKMYSA-N 1 3 282.472 3.092 20 0 CGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000422762297 288060510 /nfs/dbraw/zinc/06/05/10/288060510.db2.gz MOUIPERNCJQDSZ-QRTARXTBSA-N 1 3 276.424 3.124 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459385170 288086759 /nfs/dbraw/zinc/08/67/59/288086759.db2.gz FZGNGUICQRTAJZ-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H]2COC(C)(C)C2)c1 ZINC000417877156 279138181 /nfs/dbraw/zinc/13/81/81/279138181.db2.gz NJWDRZWBLQOGOI-KRWDZBQOSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2cc(Br)ccc21 ZINC000423312989 279289750 /nfs/dbraw/zinc/28/97/50/279289750.db2.gz VZTPKBYLINEIGX-QMTHXVAHSA-N 1 3 297.240 3.011 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCCc2c(Br)cccc21 ZINC000423308895 279289933 /nfs/dbraw/zinc/28/99/33/279289933.db2.gz PDLUIUSEXRJJBV-YGRLFVJLSA-N 1 3 297.240 3.011 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(CCO)CCCCC1 ZINC000423008215 279367364 /nfs/dbraw/zinc/36/73/64/279367364.db2.gz STCPBHOIHSBYFR-SJORKVTESA-N 1 3 296.499 3.220 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423496205 279643738 /nfs/dbraw/zinc/64/37/38/279643738.db2.gz FZVDBLQWRMJDMX-JEBQAFNWSA-N 1 3 299.393 3.027 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1(C)C ZINC000248770555 279699704 /nfs/dbraw/zinc/69/97/04/279699704.db2.gz HFJYNRUMUVWZHW-LVQVYYBASA-N 1 3 282.472 3.041 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527670410 288187295 /nfs/dbraw/zinc/18/72/95/288187295.db2.gz OGUCWMKSZFMHGM-BVGQSLNGSA-N 1 3 276.468 3.418 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)[NH2+]CC[C@H]1CCCN1C ZINC000445904333 280229471 /nfs/dbraw/zinc/22/94/71/280229471.db2.gz PSQILVOGKXJTHE-NEPJUHHUSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)NCC[C@H]1CCC[N@@H+]1C ZINC000445904333 280229472 /nfs/dbraw/zinc/22/94/72/280229472.db2.gz PSQILVOGKXJTHE-NEPJUHHUSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)NCC[C@H]1CCC[N@H+]1C ZINC000445904333 280229474 /nfs/dbraw/zinc/22/94/74/280229474.db2.gz PSQILVOGKXJTHE-NEPJUHHUSA-N 1 3 266.351 3.037 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000502032572 280265068 /nfs/dbraw/zinc/26/50/68/280265068.db2.gz MAFZVMGCVBIWRQ-FJIDUMEYSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000423132440 281095760 /nfs/dbraw/zinc/09/57/60/281095760.db2.gz UOMCYZORHAWUOS-UAGQMJEPSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1CN)CCC2 ZINC000423132440 281095762 /nfs/dbraw/zinc/09/57/62/281095762.db2.gz UOMCYZORHAWUOS-UAGQMJEPSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN[C@H](C)C1)CCC2 ZINC000423395910 281126512 /nfs/dbraw/zinc/12/65/12/281126512.db2.gz TUDIJSUMQCWTIQ-UKPHBRMFSA-N 1 3 258.409 3.103 20 0 CGADHO CCC[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCCC1 ZINC000530213586 288300864 /nfs/dbraw/zinc/30/08/64/288300864.db2.gz APAAEXJLXSWIAC-CABCVRRESA-N 1 3 250.430 3.220 20 0 CGADHO CCC[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530213586 288300866 /nfs/dbraw/zinc/30/08/66/288300866.db2.gz APAAEXJLXSWIAC-CABCVRRESA-N 1 3 250.430 3.220 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530179751 288296287 /nfs/dbraw/zinc/29/62/87/288296287.db2.gz WQMQNKYZMZKDOW-RCCFBDPRSA-N 1 3 284.447 3.272 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179806 288296346 /nfs/dbraw/zinc/29/63/46/288296346.db2.gz YAIWFFMKYPFTLT-CZUORRHYSA-N 1 3 276.399 3.021 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000531699337 288340844 /nfs/dbraw/zinc/34/08/44/288340844.db2.gz MGDVXZXHPIUPED-WMZOPIPTSA-N 1 3 290.451 3.295 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549035049 289032655 /nfs/dbraw/zinc/03/26/55/289032655.db2.gz UGYYIMZVWZPQAQ-BBWFWOEESA-N 1 3 258.409 3.026 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000552046099 289154556 /nfs/dbraw/zinc/15/45/56/289154556.db2.gz YDIRAPTVEUPOAU-IRXDYDNUSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090439 289257697 /nfs/dbraw/zinc/25/76/97/289257697.db2.gz RJPTXJKNCIJKMK-HNKHHVNMSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000554090439 289257699 /nfs/dbraw/zinc/25/76/99/289257699.db2.gz RJPTXJKNCIJKMK-HNKHHVNMSA-N 1 3 294.389 3.140 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000556893581 289419413 /nfs/dbraw/zinc/41/94/13/289419413.db2.gz VYGPVSPKANBFTJ-OWCLPIDISA-N 1 3 252.446 3.275 20 0 CGADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000562960394 289747450 /nfs/dbraw/zinc/74/74/50/289747450.db2.gz QGWAHKQAVFWXSA-BZUAXINKSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@H]1CC([NH2+]Cc2ccc3c(c2)CNC3)C[C@H](C)C1 ZINC000423369604 290354232 /nfs/dbraw/zinc/35/42/32/290354232.db2.gz FFASFAVJHSXBPW-CHWSQXEVSA-N 1 3 258.409 3.204 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(CC(C)C)CC1 ZINC000422928811 293260889 /nfs/dbraw/zinc/26/08/89/293260889.db2.gz MTNWYURIZLSAPD-CYBMUJFWSA-N 1 3 275.440 3.326 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000422923856 293261649 /nfs/dbraw/zinc/26/16/49/293261649.db2.gz STTNMITXTBBIHH-MORSLUCNSA-N 1 3 287.451 3.468 20 0 CGADHO [NH3+]CCOCCN1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000357075420 295234985 /nfs/dbraw/zinc/23/49/85/295234985.db2.gz HRCNRJQYEXNZES-MRXNPFEDSA-N 1 3 296.842 3.232 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2ccc(F)cc2)CCC1 ZINC000422845127 295297335 /nfs/dbraw/zinc/29/73/35/295297335.db2.gz NNNZZPKSQPWOND-IAGOWNOFSA-N 1 3 290.426 3.497 20 0 CGADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1CNC1 ZINC000423320220 298325764 /nfs/dbraw/zinc/32/57/64/298325764.db2.gz MFJVXQOPWOKGSD-CYBMUJFWSA-N 1 3 285.435 3.033 20 0 CGADHO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)NCC1C[NH2+]C1 ZINC000423320220 298325769 /nfs/dbraw/zinc/32/57/69/298325769.db2.gz MFJVXQOPWOKGSD-CYBMUJFWSA-N 1 3 285.435 3.033 20 0 CGADHO FC1(F)CCC[C@H](CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000420396611 303126046 /nfs/dbraw/zinc/12/60/46/303126046.db2.gz LZKDDFQKURUONY-KKUMJFAQSA-N 1 3 286.410 3.276 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423266701 303399903 /nfs/dbraw/zinc/39/99/03/303399903.db2.gz CAGPAGSUYQNAKD-OBHHBEAMSA-N 1 3 294.483 3.364 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000582861625 329278020 /nfs/dbraw/zinc/27/80/20/329278020.db2.gz PFQQFDUQKZRKNV-PMPSAXMXSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000563484113 322000350 /nfs/dbraw/zinc/00/03/50/322000350.db2.gz YJXZDJKVTNILCS-SJORKVTESA-N 1 3 274.452 3.246 20 0 CGADHO CCCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000564657318 322037853 /nfs/dbraw/zinc/03/78/53/322037853.db2.gz YVNWSIBVMOCDCV-UONOGXRCSA-N 1 3 294.439 3.090 20 0 CGADHO CSCc1cc(F)ccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565609867 322083828 /nfs/dbraw/zinc/08/38/28/322083828.db2.gz SGNJRZQKVRRJRX-CABCVRRESA-N 1 3 282.428 3.048 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cnc2ccsc2c1 ZINC000565827597 322092880 /nfs/dbraw/zinc/09/28/80/322092880.db2.gz JJOQJIIHDLDIRO-OBJOEFQTSA-N 1 3 289.448 3.464 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCc1cccs1 ZINC000567462531 322163976 /nfs/dbraw/zinc/16/39/76/322163976.db2.gz JPKOGTNEOFYARR-LBPRGKRZSA-N 1 3 289.448 3.194 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@@H](F)C1 ZINC000567894548 322181895 /nfs/dbraw/zinc/18/18/95/322181895.db2.gz BUHHHUKCJUPHLJ-KBXIAJHMSA-N 1 3 256.409 3.168 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(-c3ccncc3)cc2)C1 ZINC000568248475 322200708 /nfs/dbraw/zinc/20/07/08/322200708.db2.gz SDKAARSZPUGUNU-ZWKOTPCHSA-N 1 3 281.403 3.108 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2cccc(Cl)c2Cl)C1 ZINC000568248541 322200735 /nfs/dbraw/zinc/20/07/35/322200735.db2.gz UIDCFEPGOSEPSE-NEPJUHHUSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC000568248541 322200737 /nfs/dbraw/zinc/20/07/37/322200737.db2.gz UIDCFEPGOSEPSE-NEPJUHHUSA-N 1 3 287.234 3.395 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000568726923 322219936 /nfs/dbraw/zinc/21/99/36/322219936.db2.gz ONVYARUJTQFTNF-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000568726923 322219939 /nfs/dbraw/zinc/21/99/39/322219939.db2.gz ONVYARUJTQFTNF-HZPDHXFCSA-N 1 3 290.451 3.386 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@H]1CCCNC1 ZINC000569106394 322235112 /nfs/dbraw/zinc/23/51/12/322235112.db2.gz XXSMNWWMQOUWBV-LEUOFYLZSA-N 1 3 272.436 3.300 20 0 CGADHO Fc1cc(F)cc(C2CC([NH2+]CCCN3CCCC3)C2)c1 ZINC000569391552 322246000 /nfs/dbraw/zinc/24/60/00/322246000.db2.gz RUZQHGBATMXZCW-UHFFFAOYSA-N 1 3 294.389 3.286 20 0 CGADHO Fc1cc(F)cc(C2CC(NCCC[NH+]3CCCC3)C2)c1 ZINC000569391552 322246001 /nfs/dbraw/zinc/24/60/01/322246001.db2.gz RUZQHGBATMXZCW-UHFFFAOYSA-N 1 3 294.389 3.286 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000569447643 322247532 /nfs/dbraw/zinc/24/75/32/322247532.db2.gz JXNKLVNQPGXQIW-CRAIPNDOSA-N 1 3 274.452 3.330 20 0 CGADHO CCCN(CCC[NH+](C)C)[C@H](C)Cc1ccsc1 ZINC000571687221 322305279 /nfs/dbraw/zinc/30/52/79/322305279.db2.gz FRNULVUWBACCII-CQSZACIVSA-N 1 3 268.470 3.343 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000572625718 322347267 /nfs/dbraw/zinc/34/72/67/322347267.db2.gz UGPMRDILGSWKTB-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000572625718 322347270 /nfs/dbraw/zinc/34/72/70/322347270.db2.gz UGPMRDILGSWKTB-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000572625718 322347272 /nfs/dbraw/zinc/34/72/72/322347272.db2.gz UGPMRDILGSWKTB-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000572625718 322347274 /nfs/dbraw/zinc/34/72/74/322347274.db2.gz UGPMRDILGSWKTB-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000572648087 322348521 /nfs/dbraw/zinc/34/85/21/322348521.db2.gz NJMBBUGTVNLRSY-IYXRBSQSSA-N 1 3 274.399 3.130 20 0 CGADHO Cc1cnc([C@H](C)C[NH2+][C@H]2C[C@H](N)c3ccccc32)s1 ZINC000573108110 322370911 /nfs/dbraw/zinc/37/09/11/322370911.db2.gz FITZMHXCAREISK-ONERCXAPSA-N 1 3 287.432 3.289 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000582540559 329108970 /nfs/dbraw/zinc/10/89/70/329108970.db2.gz ZTZUKEYMIZQMGK-PVAVHDDUSA-N 1 3 260.425 3.156 20 0 CGADHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000582540559 329108971 /nfs/dbraw/zinc/10/89/71/329108971.db2.gz ZTZUKEYMIZQMGK-PVAVHDDUSA-N 1 3 260.425 3.156 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000582578304 329110208 /nfs/dbraw/zinc/11/02/08/329110208.db2.gz VIYHBLKFMYHKQN-CVEARBPZSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000582578304 329110210 /nfs/dbraw/zinc/11/02/10/329110210.db2.gz VIYHBLKFMYHKQN-CVEARBPZSA-N 1 3 296.817 3.238 20 0 CGADHO CC(C)COc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000576292131 335185107 /nfs/dbraw/zinc/18/51/07/335185107.db2.gz CWGXAEBJPGBNHP-IRXDYDNUSA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000576292131 335185108 /nfs/dbraw/zinc/18/51/08/335185108.db2.gz CWGXAEBJPGBNHP-IRXDYDNUSA-N 1 3 290.451 3.123 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC12CC2)CN1CCCCC1 ZINC000579735161 335877593 /nfs/dbraw/zinc/87/75/93/335877593.db2.gz VGZLADVHWZXYGD-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000195653536 336057579 /nfs/dbraw/zinc/05/75/79/336057579.db2.gz PJTIWHGSFAEBOU-CXTNYUCXSA-N 1 3 276.468 3.133 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](Cc1ccccc1F)c1ccccc1 ZINC000423308551 533770975 /nfs/dbraw/zinc/77/09/75/533770975.db2.gz OTSVFYVHTMPIGL-KSSFIOAISA-N 1 3 286.394 3.294 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)c(F)c1 ZINC000423361839 533923987 /nfs/dbraw/zinc/92/39/87/533923987.db2.gz SFHYQNCGHPUPAO-NSHDSACASA-N 1 3 288.341 3.419 20 0 CGADHO Cc1c([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cnn1C(C)C ZINC000414196021 533942899 /nfs/dbraw/zinc/94/28/99/533942899.db2.gz UXZAYFFNVATBBR-ZBFHGGJFSA-N 1 3 292.471 3.155 20 0 CGADHO Cc1c([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196021 533942907 /nfs/dbraw/zinc/94/29/07/533942907.db2.gz UXZAYFFNVATBBR-ZBFHGGJFSA-N 1 3 292.471 3.155 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423382662 534007210 /nfs/dbraw/zinc/00/72/10/534007210.db2.gz DRPCSEJUUTVUFD-VCBZYWHSSA-N 1 3 295.430 3.397 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422891752 534071843 /nfs/dbraw/zinc/07/18/43/534071843.db2.gz WJMMUQUCESBZKW-RHSMWYFYSA-N 1 3 285.435 3.078 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCNC2)c(C)c1 ZINC000423321497 534225749 /nfs/dbraw/zinc/22/57/49/534225749.db2.gz GFUSCZULWBYZBT-DOTOQJQBSA-N 1 3 260.425 3.344 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437782842 534615597 /nfs/dbraw/zinc/61/55/97/534615597.db2.gz ZJZGUTMWMHPJHT-KBPBESRZSA-N 1 3 286.341 3.280 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000049529305 522812916 /nfs/dbraw/zinc/81/29/16/522812916.db2.gz FMEVFLLDUPVSBK-WTUNAVPPSA-N 1 3 264.438 3.414 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000049529305 522812926 /nfs/dbraw/zinc/81/29/26/522812926.db2.gz FMEVFLLDUPVSBK-WTUNAVPPSA-N 1 3 264.438 3.414 20 0 CGADHO CN(Cc1ccc(Cl)c2cccnc12)CC(C)(C)C[NH3+] ZINC000157546226 523222272 /nfs/dbraw/zinc/22/22/72/523222272.db2.gz UOSSOKZMRKQIPH-UHFFFAOYSA-N 1 3 291.826 3.305 20 0 CGADHO C[N@H+](Cc1ccc(Cl)c2cccnc12)CC(C)(C)CN ZINC000157546226 523222281 /nfs/dbraw/zinc/22/22/81/523222281.db2.gz UOSSOKZMRKQIPH-UHFFFAOYSA-N 1 3 291.826 3.305 20 0 CGADHO C[N@@H+](Cc1ccc(Cl)c2cccnc12)CC(C)(C)CN ZINC000157546226 523222289 /nfs/dbraw/zinc/22/22/89/523222289.db2.gz UOSSOKZMRKQIPH-UHFFFAOYSA-N 1 3 291.826 3.305 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@@H]1CN ZINC000150293567 524096617 /nfs/dbraw/zinc/09/66/17/524096617.db2.gz ZTBBXOMAIFAGDW-SMDDNHRTSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@@H]1CN ZINC000150293567 524096628 /nfs/dbraw/zinc/09/66/28/524096628.db2.gz ZTBBXOMAIFAGDW-SMDDNHRTSA-N 1 3 268.351 3.183 20 0 CGADHO Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1C ZINC000050499408 524429328 /nfs/dbraw/zinc/42/93/28/524429328.db2.gz SRDWSRLHIZFHCJ-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+][C@H](C)CN ZINC000423335639 534864283 /nfs/dbraw/zinc/86/42/83/534864283.db2.gz UBHBFDQTLQSSPK-NXEZZACHSA-N 1 3 293.411 3.255 20 0 CGADHO Cc1cncc([C@H](C)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000184267499 526217416 /nfs/dbraw/zinc/21/74/16/526217416.db2.gz ACPPHYZRMRDNDU-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423287301 527256316 /nfs/dbraw/zinc/25/63/16/527256316.db2.gz LIRKAEUHSLOOQU-GXTWGEPZSA-N 1 3 266.816 3.303 20 0 CGADHO CCCC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000358307286 528061784 /nfs/dbraw/zinc/06/17/84/528061784.db2.gz WQDLQQLOXLXVJR-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000358307286 528061788 /nfs/dbraw/zinc/06/17/88/528061788.db2.gz WQDLQQLOXLXVJR-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000358307286 528061794 /nfs/dbraw/zinc/06/17/94/528061794.db2.gz WQDLQQLOXLXVJR-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000432789541 528181082 /nfs/dbraw/zinc/18/10/82/528181082.db2.gz STWMLTSHRAFRSR-MSOLQXFVSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423283737 528207366 /nfs/dbraw/zinc/20/73/66/528207366.db2.gz XLQOYQWVOXQYLX-XJKSGUPXSA-N 1 3 264.413 3.108 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)C2CCCC2)C1 ZINC000449095362 528255314 /nfs/dbraw/zinc/25/53/14/528255314.db2.gz XYEYENKWIPDWTO-GOEBONIOSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000423536958 528315327 /nfs/dbraw/zinc/31/53/27/528315327.db2.gz BIRBLBVOZWORSF-XDQVBPFNSA-N 1 3 293.480 3.305 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1cc2cccnc2o1 ZINC000449326410 528450177 /nfs/dbraw/zinc/45/01/77/528450177.db2.gz VNOSKGKQUUAGEF-UHFFFAOYSA-N 1 3 287.407 3.136 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1cc2cccnc2o1 ZINC000449326410 528450182 /nfs/dbraw/zinc/45/01/82/528450182.db2.gz VNOSKGKQUUAGEF-UHFFFAOYSA-N 1 3 287.407 3.136 20 0 CGADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCCC[NH3+] ZINC000423342001 528474236 /nfs/dbraw/zinc/47/42/36/528474236.db2.gz UQLSLJHECJCIOX-LLVKDONJSA-N 1 3 270.804 3.128 20 0 CGADHO CC(C)[C@@H](CSc1ccccc1)NCC[C@H](C)[NH3+] ZINC000423226973 528489891 /nfs/dbraw/zinc/48/98/91/528489891.db2.gz TTZOCBSOQNUIDE-DZGCQCFKSA-N 1 3 266.454 3.130 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423268986 528533986 /nfs/dbraw/zinc/53/39/86/528533986.db2.gz GSSCRCZCPDNLCE-KDOFPFPSSA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCN ZINC000437795206 528551340 /nfs/dbraw/zinc/55/13/40/528551340.db2.gz GFLFUWLQZGDIND-OAHLLOKOSA-N 1 3 268.832 3.236 20 0 CGADHO CC(C)C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccs1 ZINC000423399089 528573499 /nfs/dbraw/zinc/57/34/99/528573499.db2.gz PJOMBMGGVXDFHH-MJBXVCDLSA-N 1 3 266.454 3.423 20 0 CGADHO CC(C)C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccs1 ZINC000423399089 528573501 /nfs/dbraw/zinc/57/35/01/528573501.db2.gz PJOMBMGGVXDFHH-MJBXVCDLSA-N 1 3 266.454 3.423 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423463174 528690575 /nfs/dbraw/zinc/69/05/75/528690575.db2.gz LFMJNALBLHKJCL-RDBSUJKOSA-N 1 3 264.413 3.252 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000367999229 528896563 /nfs/dbraw/zinc/89/65/63/528896563.db2.gz UAXLLOQIXLHCER-JONQDZQNSA-N 1 3 252.446 3.418 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000423282608 528951231 /nfs/dbraw/zinc/95/12/31/528951231.db2.gz CXBFDNGBEMVOCQ-KRWDZBQOSA-N 1 3 292.467 3.335 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](COCc1ccccc1)C(C)C ZINC000423282608 528951235 /nfs/dbraw/zinc/95/12/35/528951235.db2.gz CXBFDNGBEMVOCQ-KRWDZBQOSA-N 1 3 292.467 3.335 20 0 CGADHO CCC[C@@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449147032 529036583 /nfs/dbraw/zinc/03/65/83/529036583.db2.gz PDVTVCOEGZVBPU-MRXNPFEDSA-N 1 3 298.515 3.416 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436279055 529050812 /nfs/dbraw/zinc/05/08/12/529050812.db2.gz GQSVTTTZMNXWKL-ZDUSSCGKSA-N 1 3 289.398 3.129 20 0 CGADHO CC[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235574 529174642 /nfs/dbraw/zinc/17/46/42/529174642.db2.gz GNIAERUBRGVGLJ-ZIAGYGMSSA-N 1 3 260.406 3.489 20 0 CGADHO CC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccncc1 ZINC000423296595 529184763 /nfs/dbraw/zinc/18/47/63/529184763.db2.gz ZMTDWCXMTUWNTJ-SUMWQHHRSA-N 1 3 269.392 3.342 20 0 CGADHO CCSc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424373362 529252610 /nfs/dbraw/zinc/25/26/10/529252610.db2.gz XSWYHMMXQDQGIS-HUUCEWRRSA-N 1 3 264.438 3.158 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000358506401 529255526 /nfs/dbraw/zinc/25/55/26/529255526.db2.gz JXQBXGYRPJNVID-INIZCTEOSA-N 1 3 294.389 3.491 20 0 CGADHO CCSc1ccccc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423299415 529257291 /nfs/dbraw/zinc/25/72/91/529257291.db2.gz QDRCUKHSHOAWKV-NWDGAFQWSA-N 1 3 252.427 3.044 20 0 CGADHO CC[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1CC1 ZINC000086119569 535803779 /nfs/dbraw/zinc/80/37/79/535803779.db2.gz PNUKNMPFTOBJOF-MRXNPFEDSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125313828 536060837 /nfs/dbraw/zinc/06/08/37/536060837.db2.gz IETSKLZXCFPPBD-PQEBFOHHSA-N 1 3 276.399 3.336 20 0 CGADHO C[C@@H](NCc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC000396425245 572484496 /nfs/dbraw/zinc/48/44/96/572484496.db2.gz DGSDYNXASLKHNI-LLVKDONJSA-N 1 3 284.806 3.299 20 0 CGADHO COc1ccc(Cl)cc1CN(C)CC1CC[NH+](C)CC1 ZINC000154782531 618830499 /nfs/dbraw/zinc/83/04/99/618830499.db2.gz WRCJEDKIZHFESR-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO CCOc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000892584280 618867809 /nfs/dbraw/zinc/86/78/09/618867809.db2.gz IFUCUHWNUFGVEN-HNNXBMFYSA-N 1 3 294.439 3.280 20 0 CGADHO CCOc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000892584280 618867811 /nfs/dbraw/zinc/86/78/11/618867811.db2.gz IFUCUHWNUFGVEN-HNNXBMFYSA-N 1 3 294.439 3.280 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@H]1CC=CCC1 ZINC000020088813 618975291 /nfs/dbraw/zinc/97/52/91/618975291.db2.gz OYYURBNGNNYOQQ-CVEARBPZSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)N1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000053155360 618988879 /nfs/dbraw/zinc/98/88/79/618988879.db2.gz TYOMMKRHTQVBGR-UHFFFAOYSA-N 1 3 284.806 3.442 20 0 CGADHO C1CCC([C@@H]2CNCC[C@H]2[NH2+]C2CCCCC2)C1 ZINC000925501562 618989371 /nfs/dbraw/zinc/98/93/71/618989371.db2.gz IMPALASZCZVLCQ-JKSUJKDBSA-N 1 3 250.430 3.077 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925522763 619016881 /nfs/dbraw/zinc/01/68/81/619016881.db2.gz UFJKOLHKHXAZHQ-AEGPPILISA-N 1 3 276.424 3.252 20 0 CGADHO CC1(C)[C@H](N[C@H]2C[C@H](c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925606833 619083604 /nfs/dbraw/zinc/08/36/04/619083604.db2.gz YGUGZRJMHVZASB-HSFUPAIVSA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925606833 619083605 /nfs/dbraw/zinc/08/36/05/619083605.db2.gz YGUGZRJMHVZASB-HSFUPAIVSA-N 1 3 284.447 3.299 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@H]1CCC[C@H]2C[C@H]21 ZINC000925706820 619155082 /nfs/dbraw/zinc/15/50/82/619155082.db2.gz GSKWFGNSNNSOMX-YYWYGQEZSA-N 1 3 276.468 3.181 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925780066 619242881 /nfs/dbraw/zinc/24/28/81/619242881.db2.gz RKKOYYSWAPFAGP-TZMCWYRMSA-N 1 3 286.341 3.111 20 0 CGADHO Cc1cc(Cl)ccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261571928 619289111 /nfs/dbraw/zinc/28/91/11/619289111.db2.gz SECRUWDOIWAGHY-BPUTZDHNSA-N 1 3 278.827 3.208 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000261635937 619295456 /nfs/dbraw/zinc/29/54/56/619295456.db2.gz GICZHZBXQIKWTF-CBBWQLFWSA-N 1 3 293.480 3.147 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783874 619634978 /nfs/dbraw/zinc/63/49/78/619634978.db2.gz ZJGZIMKBWSCOJY-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783874 619634983 /nfs/dbraw/zinc/63/49/83/619634983.db2.gz ZJGZIMKBWSCOJY-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895291681 619796814 /nfs/dbraw/zinc/79/68/14/619796814.db2.gz AXEOFTUTHVAAMM-BBWFWOEESA-N 1 3 289.467 3.346 20 0 CGADHO Cc1ccc(CN(C)CCCC[NH+]2CCCCC2)o1 ZINC000895685479 619872614 /nfs/dbraw/zinc/87/26/14/619872614.db2.gz MDYWWCTZXIJTGE-UHFFFAOYSA-N 1 3 264.413 3.286 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2CCC(OC)CC2)CC1 ZINC000896057168 619939595 /nfs/dbraw/zinc/93/95/95/619939595.db2.gz CXOKCLAVCVOVHW-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000873257414 620563074 /nfs/dbraw/zinc/56/30/74/620563074.db2.gz UVJSABHTSRAIDG-PRJMDXOYSA-N 1 3 279.236 3.443 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2coc3ccccc23)C1 ZINC000924705892 620569547 /nfs/dbraw/zinc/56/95/47/620569547.db2.gz NCCMKWACANYOMM-UONOGXRCSA-N 1 3 272.392 3.425 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCc3cc(N)ccc32)C1 ZINC000902394898 621303377 /nfs/dbraw/zinc/30/33/77/621303377.db2.gz XPWDRABKSMHWEG-RDJZCZTQSA-N 1 3 287.451 3.014 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCC1([NH3+])CC1 ZINC000902415488 621309086 /nfs/dbraw/zinc/30/90/86/621309086.db2.gz GFOQCDDFMYISRR-LBPRGKRZSA-N 1 3 284.856 3.292 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453317 621332155 /nfs/dbraw/zinc/33/21/55/621332155.db2.gz ADVNUFVGNQHNTD-KGLIPLIRSA-N 1 3 274.399 3.309 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902471379 621341558 /nfs/dbraw/zinc/34/15/58/621341558.db2.gz OJBGHYDSURIWPT-XLNGHYISSA-N 1 3 272.436 3.225 20 0 CGADHO CSCC1CCC(NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000902483959 621353008 /nfs/dbraw/zinc/35/30/08/621353008.db2.gz TVZVZAUSPSFSQH-YMAMQOFZSA-N 1 3 270.486 3.030 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1(C)C(C)(C)C1(C)C ZINC000902515991 621359195 /nfs/dbraw/zinc/35/91/95/621359195.db2.gz BCELURHIQJLMGJ-GFCCVEGCSA-N 1 3 275.440 3.324 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902832227 621466857 /nfs/dbraw/zinc/46/68/57/621466857.db2.gz KJHJCDOFQDVAKK-XFIYOXNOSA-N 1 3 250.430 3.028 20 0 CGADHO C[NH+](C)CC[C@@H](NC1CCCCCC1)c1cccnc1 ZINC000903384103 621725176 /nfs/dbraw/zinc/72/51/76/621725176.db2.gz PVWQPFDLKNBXSW-QGZVFWFLSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CCCC1 ZINC000903383550 621725255 /nfs/dbraw/zinc/72/52/55/621725255.db2.gz NLASTNOFNZJNAB-RHSMWYFYSA-N 1 3 275.440 3.243 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](N)CC(F)F)c1 ZINC000903899928 621829691 /nfs/dbraw/zinc/82/96/91/621829691.db2.gz YURONOCZNFUUEU-UKRRQHHQSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H](N)CC(F)F)c1 ZINC000903899928 621829693 /nfs/dbraw/zinc/82/96/93/621829693.db2.gz YURONOCZNFUUEU-UKRRQHHQSA-N 1 3 282.378 3.423 20 0 CGADHO CCCCCC[C@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972692 621843713 /nfs/dbraw/zinc/84/37/13/621843713.db2.gz JZTNMKRNUDWXLJ-JKSUJKDBSA-N 1 3 282.472 3.094 20 0 CGADHO Cc1ccc([C@@H]2CC[N@H+](C[C@]3(C)CCCNC3)C2)cc1 ZINC000904340959 621909562 /nfs/dbraw/zinc/90/95/62/621909562.db2.gz GPRYCHBFERFOAO-QZTJIDSGSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccc([C@@H]2CC[N@@H+](C[C@]3(C)CCCNC3)C2)cc1 ZINC000904340959 621909565 /nfs/dbraw/zinc/90/95/65/621909565.db2.gz GPRYCHBFERFOAO-QZTJIDSGSA-N 1 3 272.436 3.174 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(C(F)F)c(F)c2)C1 ZINC000904355328 621910996 /nfs/dbraw/zinc/91/09/96/621910996.db2.gz MNVSKZHRRBWXRG-QWRGUYRKSA-N 1 3 272.314 3.123 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCCc2c(Cl)cccc2Cl)C1 ZINC000906519307 622242388 /nfs/dbraw/zinc/24/23/88/622242388.db2.gz XVVAMDGHUBIJQG-MGCOHNPYSA-N 1 3 273.207 3.005 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000906519307 622242390 /nfs/dbraw/zinc/24/23/90/622242390.db2.gz XVVAMDGHUBIJQG-MGCOHNPYSA-N 1 3 273.207 3.005 20 0 CGADHO C[C@@H]1OC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@@H]1C ZINC000924857032 622768855 /nfs/dbraw/zinc/76/88/55/622768855.db2.gz PWIQXKSFKYDNQK-VKJFTORMSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1OC[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@@H]1C ZINC000924857032 622768867 /nfs/dbraw/zinc/76/88/67/622768867.db2.gz PWIQXKSFKYDNQK-VKJFTORMSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067210 623096805 /nfs/dbraw/zinc/09/68/05/623096805.db2.gz MNBFTEZNVQLQNR-BZPMIXESSA-N 1 3 298.377 3.266 20 0 CGADHO Cc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000180054974 624711496 /nfs/dbraw/zinc/71/14/96/624711496.db2.gz WLVJTKZCDYIOLE-UHFFFAOYSA-N 1 3 296.842 3.128 20 0 CGADHO Cc1cc(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1[O-] ZINC000180054974 624711503 /nfs/dbraw/zinc/71/15/03/624711503.db2.gz WLVJTKZCDYIOLE-UHFFFAOYSA-N 1 3 296.842 3.128 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000921625439 625720751 /nfs/dbraw/zinc/72/07/51/625720751.db2.gz VXFFNWANCIVECL-QGZVFWFLSA-N 1 3 292.492 3.371 20 0 CGADHO C[NH+](C)CC[C@H](NCC1CCCCC1)c1cccnc1 ZINC000922629034 626022318 /nfs/dbraw/zinc/02/23/18/626022318.db2.gz HMDJRQBTWNKJMZ-KRWDZBQOSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H]([NH2+]C1CC(C(F)F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000769550713 627565030 /nfs/dbraw/zinc/56/50/30/627565030.db2.gz DPJVSYCSGBVELD-IWMBGFJWSA-N 1 3 286.410 3.273 20 0 CGADHO CC[N@H+](CCC1CCN(CCF)CC1)CC(C)C ZINC000773732813 627909657 /nfs/dbraw/zinc/90/96/57/627909657.db2.gz IWQJMVBEVWFBSI-UHFFFAOYSA-N 1 3 258.425 3.036 20 0 CGADHO CC[N@@H+](CCC1CCN(CCF)CC1)CC(C)C ZINC000773732813 627909661 /nfs/dbraw/zinc/90/96/61/627909661.db2.gz IWQJMVBEVWFBSI-UHFFFAOYSA-N 1 3 258.425 3.036 20 0 CGADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)Cc2ccccc21 ZINC000781885811 628602486 /nfs/dbraw/zinc/60/24/86/628602486.db2.gz WGQMMAGGPCDVAU-MRXNPFEDSA-N 1 3 272.436 3.482 20 0 CGADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)Cc2ccccc21 ZINC000781885811 628602490 /nfs/dbraw/zinc/60/24/90/628602490.db2.gz WGQMMAGGPCDVAU-MRXNPFEDSA-N 1 3 272.436 3.482 20 0 CGADHO C[C@@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000783233080 628692239 /nfs/dbraw/zinc/69/22/39/628692239.db2.gz YJPQRYDPGDFHLC-CZUORRHYSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000865412452 630109586 /nfs/dbraw/zinc/10/95/86/630109586.db2.gz OZWNMAMFRMMHRV-ZDUSSCGKSA-N 1 3 278.827 3.222 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817923929 632234962 /nfs/dbraw/zinc/23/49/62/632234962.db2.gz DHLRQEMDTLOJFA-DOXZYTNZSA-N 1 3 298.430 3.102 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCCC[C@@H]1N)CCC2 ZINC000817921776 632235257 /nfs/dbraw/zinc/23/52/57/632235257.db2.gz IGOZJQKCFZEEJU-OUCADQQQSA-N 1 3 279.453 3.079 20 0 CGADHO C[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1(Cl)Cl ZINC000817935233 632238094 /nfs/dbraw/zinc/23/80/94/632238094.db2.gz AOCXNZFEDNLOBG-WUHRBBMRSA-N 1 3 291.266 3.081 20 0 CGADHO C[C@@H](NCC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000817936153 632238107 /nfs/dbraw/zinc/23/81/07/632238107.db2.gz HATZIIHJIKYNIW-WOPDTQHZSA-N 1 3 279.255 3.081 20 0 CGADHO CCOc1ccccc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817946762 632243052 /nfs/dbraw/zinc/24/30/52/632243052.db2.gz DOXCFXOPIBBBPY-OAHLLOKOSA-N 1 3 298.430 3.437 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccc2c(c1)CCCO2 ZINC000817958389 632253121 /nfs/dbraw/zinc/25/31/21/632253121.db2.gz JFPQNCCJRRRFMP-CVEARBPZSA-N 1 3 276.424 3.036 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000817970559 632263841 /nfs/dbraw/zinc/26/38/41/632263841.db2.gz ZYUSPCMNJQDDGX-IACUBPJLSA-N 1 3 250.361 3.055 20 0 CGADHO Fc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820805074 632678758 /nfs/dbraw/zinc/67/87/58/632678758.db2.gz DYRDTKSNDOSBFY-ZXFUBFMLSA-N 1 3 288.410 3.116 20 0 CGADHO Fc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820805074 632678762 /nfs/dbraw/zinc/67/87/62/632678762.db2.gz DYRDTKSNDOSBFY-ZXFUBFMLSA-N 1 3 288.410 3.116 20 0 CGADHO C[C@H](CCc1cccnc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000866218028 633032721 /nfs/dbraw/zinc/03/27/21/633032721.db2.gz KLKMPIYDEBKDGS-SJORKVTESA-N 1 3 289.467 3.257 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@@H](C)O1 ZINC000823748192 633148960 /nfs/dbraw/zinc/14/89/60/633148960.db2.gz UFSJMHYRIDKYNT-RKVPGOIHSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@@H](C)O1 ZINC000823748192 633148963 /nfs/dbraw/zinc/14/89/63/633148963.db2.gz UFSJMHYRIDKYNT-RKVPGOIHSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@]1(C(F)(F)F)CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000872146840 634066108 /nfs/dbraw/zinc/06/61/08/634066108.db2.gz YYPWRECIHGXGCM-OAHLLOKOSA-N 1 3 298.352 3.107 20 0 CGADHO CCOc1cccc(F)c1CNCC1CC[NH+](CC)CC1 ZINC000873043480 634236586 /nfs/dbraw/zinc/23/65/86/634236586.db2.gz ONZAUGKIYIQSFW-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO C[C@H](CCCC(F)(F)F)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234152 634295500 /nfs/dbraw/zinc/29/55/00/634295500.db2.gz CCGMRIISORWRMS-VXGBXAGGSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)C(C)(F)F ZINC000873249984 634301015 /nfs/dbraw/zinc/30/10/15/634301015.db2.gz DRYRPFMLYKBEQS-JSGCOSHPSA-N 1 3 284.394 3.216 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000873274226 634315659 /nfs/dbraw/zinc/31/56/59/634315659.db2.gz SUHNFKORPZCWBF-RKLWJJNISA-N 1 3 296.842 3.276 20 0 CGADHO CSC(C)(C)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811978 634904732 /nfs/dbraw/zinc/90/47/32/634904732.db2.gz PCBHYHVYZHLCHJ-HOCLYGCPSA-N 1 3 296.524 3.467 20 0 CGADHO CSC(C)(C)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876811978 634904737 /nfs/dbraw/zinc/90/47/37/634904737.db2.gz PCBHYHVYZHLCHJ-HOCLYGCPSA-N 1 3 296.524 3.467 20 0 CGADHO FC1(F)CCC[C@@H]1CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000878190936 635405466 /nfs/dbraw/zinc/40/54/66/635405466.db2.gz LNWCIDLSZSJSJY-CQSZACIVSA-N 1 3 295.377 3.029 20 0 CGADHO [NH3+]CCCCCCNCc1csc(-c2ccccc2)n1 ZINC000843128990 635563753 /nfs/dbraw/zinc/56/37/53/635563753.db2.gz NVNPJFHYIVWCKE-UHFFFAOYSA-N 1 3 289.448 3.419 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2CC3(CCC3)C2)CC1 ZINC000879286718 635747243 /nfs/dbraw/zinc/74/72/43/635747243.db2.gz WSPABGQTWOWOLE-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@]1(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@]1(F)Cl ZINC000844923259 635984708 /nfs/dbraw/zinc/98/47/08/635984708.db2.gz KOQLXVWQFGVWMG-APIJFGDWSA-N 1 3 282.790 3.426 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC3(CC3)C2)C[C@H](C)O1 ZINC000883203957 636583494 /nfs/dbraw/zinc/58/34/94/636583494.db2.gz PHIHGHRVMLPTOV-BBWFWOEESA-N 1 3 294.483 3.188 20 0 CGADHO CC1CC[NH+](CCCCNCc2ccc(Cl)cn2)CC1 ZINC000885923960 637313347 /nfs/dbraw/zinc/31/33/47/637313347.db2.gz GDLNNMUZUOBEOP-UHFFFAOYSA-N 1 3 295.858 3.337 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886011000 637359208 /nfs/dbraw/zinc/35/92/08/637359208.db2.gz UORPPKNVZXUAGI-BRWVUGGUSA-N 1 3 294.483 3.331 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000886167001 637445480 /nfs/dbraw/zinc/44/54/80/637445480.db2.gz XYHPKEGVOOKUIU-FGTMMUONSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+]CCCN1CCC(C)CC1 ZINC000221825983 637753836 /nfs/dbraw/zinc/75/38/36/637753836.db2.gz CMOKRQGUMSQUJQ-MRXNPFEDSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000222938092 637834800 /nfs/dbraw/zinc/83/48/00/637834800.db2.gz KJQJHHVEJUOFJT-AEJSXWLSSA-N 1 3 258.818 3.322 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924570798 638364291 /nfs/dbraw/zinc/36/42/91/638364291.db2.gz CEMOMROEOVSRPH-SQNIBIBYSA-N 1 3 296.499 3.172 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000924958747 638431050 /nfs/dbraw/zinc/43/10/50/638431050.db2.gz HHTWKGKQULAEBI-KZNAEPCWSA-N 1 3 296.499 3.028 20 0 CGADHO CSCCCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925646096 638556726 /nfs/dbraw/zinc/55/67/26/638556726.db2.gz UILWHXLTVAPAQE-HOTGVXAUSA-N 1 3 284.513 3.278 20 0 CGADHO Cc1cscc1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925659813 638560336 /nfs/dbraw/zinc/56/03/36/638560336.db2.gz NQMSOAWAJCCYLB-STQMWFEESA-N 1 3 252.427 3.052 20 0 CGADHO FC1(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCC1 ZINC000925673330 638564940 /nfs/dbraw/zinc/56/49/40/638564940.db2.gz NKOMCPPFLSPMCU-HUUCEWRRSA-N 1 3 268.420 3.027 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857847818 638576162 /nfs/dbraw/zinc/57/61/62/638576162.db2.gz ZCDJXPBWXQFIMY-GOEBONIOSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857847818 638576181 /nfs/dbraw/zinc/57/61/81/638576181.db2.gz ZCDJXPBWXQFIMY-GOEBONIOSA-N 1 3 290.455 3.031 20 0 CGADHO FC1CCC(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925713823 638576495 /nfs/dbraw/zinc/57/64/95/638576495.db2.gz UTSPTIQTFUQXGU-MHVXSEJMSA-N 1 3 282.447 3.273 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCC(C)(C)[NH3+] ZINC000925737118 638590252 /nfs/dbraw/zinc/59/02/52/638590252.db2.gz FMCQPHBFAQSAQZ-HNNXBMFYSA-N 1 3 276.424 3.135 20 0 CGADHO CCCCO[C@@H]1C[C@@H](N2CCC([NH3+])(CC)CC2)C1(C)C ZINC000925756968 638599924 /nfs/dbraw/zinc/59/99/24/638599924.db2.gz QMTFYTUKFHFHQV-HUUCEWRRSA-N 1 3 282.472 3.174 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(C2CC2)c1 ZINC000925777467 638610299 /nfs/dbraw/zinc/61/02/99/638610299.db2.gz PDJZJPLRWUMCHV-BLLLJJGKSA-N 1 3 294.389 3.459 20 0 CGADHO C[C@@H]([NH3+])[C@H](NCC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800993 638615698 /nfs/dbraw/zinc/61/56/98/638615698.db2.gz HXNYONBJHXHPHF-AIDGVLJZSA-N 1 3 290.476 3.339 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@]12C[C@H]1CCCC2 ZINC000925802319 638617493 /nfs/dbraw/zinc/61/74/93/638617493.db2.gz LZZNAVFVYWLKRS-OWSLCNJRSA-N 1 3 276.468 3.325 20 0 CGADHO CCSc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000925835160 638626885 /nfs/dbraw/zinc/62/68/85/638626885.db2.gz MZUPSWWHJOUELI-LSDHHAIUSA-N 1 3 278.465 3.058 20 0 CGADHO C1C(N[C@H]2CCOC23CCCCC3)CC1[NH+]1CCCCC1 ZINC000926338469 638764264 /nfs/dbraw/zinc/76/42/64/638764264.db2.gz DWIQSZFQFDLCCQ-JCYILVPMSA-N 1 3 292.467 3.085 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926947536 638828381 /nfs/dbraw/zinc/82/83/81/638828381.db2.gz DKHXLDULOBQXGC-CMPLNLGQSA-N 1 3 278.362 3.037 20 0 CGADHO FCc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000929275991 638914502 /nfs/dbraw/zinc/91/45/02/638914502.db2.gz MUGDWYAEXFJUKZ-UHFFFAOYSA-N 1 3 290.426 3.464 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(CCCc3ccccc3Cl)C[C@@H]2C1 ZINC000931435848 639148335 /nfs/dbraw/zinc/14/83/35/639148335.db2.gz HOWOEKAQKMIEBP-CVEARBPZSA-N 1 3 292.854 3.156 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(CCCc3ccccc3Cl)C[C@@H]2C1 ZINC000931435848 639148340 /nfs/dbraw/zinc/14/83/40/639148340.db2.gz HOWOEKAQKMIEBP-CVEARBPZSA-N 1 3 292.854 3.156 20 0 CGADHO c1ccc([C@]23C[C@H]2C[N@@H+](CCCN2CCCCC2)C3)cc1 ZINC000931932572 639236630 /nfs/dbraw/zinc/23/66/30/639236630.db2.gz VVYGCKOAIMTZFG-RBUKOAKNSA-N 1 3 284.447 3.136 20 0 CGADHO c1ccc([C@]23C[C@H]2C[N@H+](CCCN2CCCCC2)C3)cc1 ZINC000931932572 639236641 /nfs/dbraw/zinc/23/66/41/639236641.db2.gz VVYGCKOAIMTZFG-RBUKOAKNSA-N 1 3 284.447 3.136 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000932560360 639353482 /nfs/dbraw/zinc/35/34/82/639353482.db2.gz IBSLOSUGZRHOQR-UKRRQHHQSA-N 1 3 264.388 3.269 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](C)COc2ccc(C)cc2)CC1 ZINC000040496142 639894238 /nfs/dbraw/zinc/89/42/38/639894238.db2.gz GCRYJKJOLPEURV-INIZCTEOSA-N 1 3 290.451 3.226 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001167048616 807136428 /nfs/dbraw/zinc/13/64/28/807136428.db2.gz HSCUZDIVCXXKIJ-CABCVRRESA-N 1 3 252.446 3.371 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C1CCc2ccccc2CC1 ZINC001254452221 806405030 /nfs/dbraw/zinc/40/50/30/806405030.db2.gz GLCSQAFNXAMQPY-GOSISDBHSA-N 1 3 272.436 3.008 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C3CCc4ccccc4CC3)C[C@H]2C1 ZINC001254462384 806412076 /nfs/dbraw/zinc/41/20/76/806412076.db2.gz AJFNDNWCSNQYQU-RTBURBONSA-N 1 3 298.474 3.208 20 0 CGADHO COc1cccc(C2(N[C@H]3CCC[N@H+](C)CC3)CCC2)c1 ZINC001254511346 806430808 /nfs/dbraw/zinc/43/08/08/806430808.db2.gz ZMSLLYPQBZSVJM-INIZCTEOSA-N 1 3 288.435 3.148 20 0 CGADHO COc1cccc(C2(N[C@H]3CCC[N@@H+](C)CC3)CCC2)c1 ZINC001254511346 806430813 /nfs/dbraw/zinc/43/08/13/806430813.db2.gz ZMSLLYPQBZSVJM-INIZCTEOSA-N 1 3 288.435 3.148 20 0 CGADHO Cc1ccc(F)cc1[C@H](C)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254511014 806431248 /nfs/dbraw/zinc/43/12/48/806431248.db2.gz ZPYATRWKZQBNEE-DZGCQCFKSA-N 1 3 264.388 3.269 20 0 CGADHO Cc1ccc(F)cc1[C@H](C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254511014 806431255 /nfs/dbraw/zinc/43/12/55/806431255.db2.gz ZPYATRWKZQBNEE-DZGCQCFKSA-N 1 3 264.388 3.269 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524617 806438592 /nfs/dbraw/zinc/43/85/92/806438592.db2.gz XXJZKVNRSKWOTB-FUHWJXTLSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524617 806438597 /nfs/dbraw/zinc/43/85/97/806438597.db2.gz XXJZKVNRSKWOTB-FUHWJXTLSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522813 806439861 /nfs/dbraw/zinc/43/98/61/806439861.db2.gz JOMKLTCTLFJXJF-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC001254522813 806439865 /nfs/dbraw/zinc/43/98/65/806439865.db2.gz JOMKLTCTLFJXJF-IRXDYDNUSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524619 806440735 /nfs/dbraw/zinc/44/07/35/806440735.db2.gz XXJZKVNRSKWOTB-WMZOPIPTSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001254524619 806440740 /nfs/dbraw/zinc/44/07/40/806440740.db2.gz XXJZKVNRSKWOTB-WMZOPIPTSA-N 1 3 288.435 3.014 20 0 CGADHO C[NH+](C)CC[C@H](NC1CCSCC1)c1ccccc1 ZINC001255080578 806537453 /nfs/dbraw/zinc/53/74/53/806537453.db2.gz SBMYDEPYDFIXRM-INIZCTEOSA-N 1 3 278.465 3.165 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1-c1ccccc1C(C)(C)[NH3+] ZINC001162779408 806664640 /nfs/dbraw/zinc/66/46/40/806664640.db2.gz ZGYNIZDOLFNJOD-GFCCVEGCSA-N 1 3 294.402 3.239 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(F)c(C)c2)CC1 ZINC000050545489 798895038 /nfs/dbraw/zinc/89/50/38/798895038.db2.gz YEQBONMQQBBZNZ-UHFFFAOYSA-N 1 3 278.415 3.488 20 0 CGADHO C[NH+](C)CCCCCCCNCc1nc2c(s1)CCC2 ZINC000093065637 798961903 /nfs/dbraw/zinc/96/19/03/798961903.db2.gz SPFDWBOPXNFYAQ-UHFFFAOYSA-N 1 3 295.496 3.234 20 0 CGADHO CC(C)Cc1ccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC000094901356 798971546 /nfs/dbraw/zinc/97/15/46/798971546.db2.gz KRDOVFGVNOUFMQ-MAUKXSAKSA-N 1 3 274.452 3.444 20 0 CGADHO CN1CC2(C1)CC[NH+]([C@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001255720753 806718430 /nfs/dbraw/zinc/71/84/30/806718430.db2.gz NOCVEAZEFQVGEG-OLZOCXBDSA-N 1 3 290.373 3.135 20 0 CGADHO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381799689 799387670 /nfs/dbraw/zinc/38/76/70/799387670.db2.gz RSDGXOVFPVMQFX-YORMDBTCSA-N 1 3 278.827 3.239 20 0 CGADHO CCCC[N@H+](CC)Cc1cc2c(s1)CCNC2 ZINC000687955848 799740775 /nfs/dbraw/zinc/74/07/75/799740775.db2.gz YIULXFCOUVNTMS-UHFFFAOYSA-N 1 3 252.427 3.016 20 0 CGADHO CCCC[N@@H+](CC)Cc1cc2c(s1)CCNC2 ZINC000687955848 799740780 /nfs/dbraw/zinc/74/07/80/799740780.db2.gz YIULXFCOUVNTMS-UHFFFAOYSA-N 1 3 252.427 3.016 20 0 CGADHO c1c(C[NH+]2CCCCCCC2)sc2c1CNCC2 ZINC000687960698 799741098 /nfs/dbraw/zinc/74/10/98/799741098.db2.gz DUBFBHFVQWOUPB-UHFFFAOYSA-N 1 3 264.438 3.160 20 0 CGADHO C[N@H+](Cc1cc2c(s1)CCNC2)C1CCCCC1 ZINC000687963310 799743199 /nfs/dbraw/zinc/74/31/99/799743199.db2.gz RXVZWRCRCCOYEM-UHFFFAOYSA-N 1 3 264.438 3.158 20 0 CGADHO C[N@@H+](Cc1cc2c(s1)CCNC2)C1CCCCC1 ZINC000687963310 799743204 /nfs/dbraw/zinc/74/32/04/799743204.db2.gz RXVZWRCRCCOYEM-UHFFFAOYSA-N 1 3 264.438 3.158 20 0 CGADHO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968016 799743798 /nfs/dbraw/zinc/74/37/98/799743798.db2.gz GJJGVRBNFVCMMC-AAEUAGOBSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968016 799743801 /nfs/dbraw/zinc/74/38/01/799743801.db2.gz GJJGVRBNFVCMMC-AAEUAGOBSA-N 1 3 264.438 3.014 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3)C[C@H]2C1 ZINC001255879493 806781367 /nfs/dbraw/zinc/78/13/67/806781367.db2.gz GEIYQMJPFPARIX-DJIMGWMZSA-N 1 3 290.426 3.030 20 0 CGADHO C[C@@H](CC[NH2+]C1CCC(C(F)(F)F)CC1)N(C)C ZINC000697888205 799850428 /nfs/dbraw/zinc/85/04/28/799850428.db2.gz IMQVXUVOLFMBQI-UNXYVOJBSA-N 1 3 266.351 3.037 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccccc1C ZINC001255941338 806789547 /nfs/dbraw/zinc/78/95/47/806789547.db2.gz ORAVZENFUGKZFA-INIZCTEOSA-N 1 3 262.441 3.248 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001255940906 806790301 /nfs/dbraw/zinc/79/03/01/806790301.db2.gz IOFCXHHOIMHPGL-CHWSQXEVSA-N 1 3 262.388 3.132 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001255948154 806793650 /nfs/dbraw/zinc/79/36/50/806793650.db2.gz GJITVDAFNZKWTL-IAOVAPTHSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)CC(CC(C)C)[NH+]1CC2(C1)CCCNC2 ZINC000709852551 800020165 /nfs/dbraw/zinc/02/01/65/800020165.db2.gz WYIXJGURXVUOHQ-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)[C@H]1CCN ZINC000709756507 800017371 /nfs/dbraw/zinc/01/73/71/800017371.db2.gz UZIHMCIWONSPBU-ILXRZTDVSA-N 1 3 282.472 3.029 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)[C@H]1CCN ZINC000709756507 800017376 /nfs/dbraw/zinc/01/73/76/800017376.db2.gz UZIHMCIWONSPBU-ILXRZTDVSA-N 1 3 282.472 3.029 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC1(CC2CC2)CCOCC1 ZINC001255954763 806798484 /nfs/dbraw/zinc/79/84/84/806798484.db2.gz ZPDCOCUZVHKEBZ-INIZCTEOSA-N 1 3 296.499 3.293 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000712665443 800096499 /nfs/dbraw/zinc/09/64/99/800096499.db2.gz BTFLEACBAFEJSI-ZFVVBOAOSA-N 1 3 256.393 3.157 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715575709 800140103 /nfs/dbraw/zinc/14/01/03/800140103.db2.gz YYMARPGZPMXFML-KURKYZTESA-N 1 3 274.452 3.470 20 0 CGADHO CC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716709687 800178758 /nfs/dbraw/zinc/17/87/58/800178758.db2.gz CPTWEKNWMGTHPD-OWLYRPNTSA-N 1 3 272.436 3.428 20 0 CGADHO [NH3+]CC[C@@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000723695972 800338456 /nfs/dbraw/zinc/33/84/56/800338456.db2.gz RBIQBVHKQFNDNZ-GFCCVEGCSA-N 1 3 289.810 3.059 20 0 CGADHO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccncc1 ZINC001163896720 806848265 /nfs/dbraw/zinc/84/82/65/806848265.db2.gz GNSGXARMEUTHAK-UHFFFAOYSA-N 1 3 257.724 3.138 20 0 CGADHO CC(C)(C)N1CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001256564175 806916895 /nfs/dbraw/zinc/91/68/95/806916895.db2.gz UNIWODWMJKIWMM-UHFFFAOYSA-N 1 3 287.407 3.180 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001256568834 806917436 /nfs/dbraw/zinc/91/74/36/806917436.db2.gz HGNKXRMZNPVTCU-QGZVFWFLSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001256568834 806917439 /nfs/dbraw/zinc/91/74/39/806917439.db2.gz HGNKXRMZNPVTCU-QGZVFWFLSA-N 1 3 287.451 3.481 20 0 CGADHO Cc1cccnc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001116529969 802372669 /nfs/dbraw/zinc/37/26/69/802372669.db2.gz BMGXEQUPVLRMBG-HZPDHXFCSA-N 1 3 289.467 3.238 20 0 CGADHO CCCc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205280914 812928432 /nfs/dbraw/zinc/92/84/32/812928432.db2.gz LRXHEPRBFOFHHO-QGZVFWFLSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC1(N)CCCC1 ZINC001246074549 804114947 /nfs/dbraw/zinc/11/49/47/804114947.db2.gz DVTSGYWQQNNSTM-LLVKDONJSA-N 1 3 284.806 3.271 20 0 CGADHO Clc1ccc(Cl)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246091794 804124464 /nfs/dbraw/zinc/12/44/64/804124464.db2.gz AGXBTNYVSUOYAX-PBWFPOADSA-N 1 3 299.245 3.409 20 0 CGADHO CC1(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CNC1 ZINC001246092699 804125094 /nfs/dbraw/zinc/12/50/94/804125094.db2.gz FXICDCGTQSYWFJ-GFCCVEGCSA-N 1 3 299.245 3.050 20 0 CGADHO CC1(CN[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)C[NH2+]C1 ZINC001246092699 804125102 /nfs/dbraw/zinc/12/51/02/804125102.db2.gz FXICDCGTQSYWFJ-GFCCVEGCSA-N 1 3 299.245 3.050 20 0 CGADHO CCCCCC1CCC([NH2+]CC2(C)CNC2)CC1 ZINC001246092669 804125431 /nfs/dbraw/zinc/12/54/31/804125431.db2.gz FMUMCYHWUVSNOD-UHFFFAOYSA-N 1 3 252.446 3.325 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246096320 804128185 /nfs/dbraw/zinc/12/81/85/804128185.db2.gz MIBILLDEWFIHFO-HRCADAONSA-N 1 3 292.492 3.453 20 0 CGADHO CC[C@@H]1CC(NCCc2cccc(OC)c2)C[C@@H](CC)[NH2+]1 ZINC001246100802 804133479 /nfs/dbraw/zinc/13/34/79/804133479.db2.gz VBJRXYHLNDRDKK-HZPDHXFCSA-N 1 3 290.451 3.137 20 0 CGADHO CCn1ccc2ccc(C[NH+]3CCC4(CN(C)C4)CC3)cc21 ZINC001139124785 804134432 /nfs/dbraw/zinc/13/44/32/804134432.db2.gz SXONGIBTZVTIDQ-UHFFFAOYSA-N 1 3 297.446 3.189 20 0 CGADHO CCn1ccc2ccc(CN3CC4(C3)CC[NH+](C)CC4)cc21 ZINC001139124915 804134607 /nfs/dbraw/zinc/13/46/07/804134607.db2.gz WCQIHQYVXVMJPM-UHFFFAOYSA-N 1 3 297.446 3.189 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CC[C@@H](C)CN1 ZINC001246103219 804136055 /nfs/dbraw/zinc/13/60/55/804136055.db2.gz GNVCPYNDMJDXMP-JHJVBQTASA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H]1CC[C@H](CNC2CCC3(CCCC3)CC2)[NH2+]C1 ZINC001246105433 804139153 /nfs/dbraw/zinc/13/91/53/804139153.db2.gz MNLDFCHYLCJKFD-GDBMZVCRSA-N 1 3 264.457 3.467 20 0 CGADHO CCCC[C@@H](CCC)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246111805 804143290 /nfs/dbraw/zinc/14/32/90/804143290.db2.gz JSKCAHPSJCVICW-CABCVRRESA-N 1 3 258.425 3.417 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001246147017 804167929 /nfs/dbraw/zinc/16/79/29/804167929.db2.gz WBHXFBWKIPIPCA-FSDCSDTHSA-N 1 3 290.476 3.063 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)NC[C@H]1CCCC[NH2+]1 ZINC001246166770 804182554 /nfs/dbraw/zinc/18/25/54/804182554.db2.gz CBEWSCPEABPBHI-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H]1CC([NH2+]CCCc2ccc(Cl)cc2)C[C@H](C)N1 ZINC001246175312 804188904 /nfs/dbraw/zinc/18/89/04/804188904.db2.gz IKSVKIBTNPUBCX-STQMWFEESA-N 1 3 280.843 3.391 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@]1(C)CCC[NH2+]C1 ZINC001246191328 804199705 /nfs/dbraw/zinc/19/97/05/804199705.db2.gz VTQMVXWKWRPZDZ-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001246192044 804199990 /nfs/dbraw/zinc/19/99/90/804199990.db2.gz YGOWKTYFYDGXFN-JLLWLGSASA-N 1 3 287.234 3.394 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]([NH3+])C1 ZINC001246192044 804199994 /nfs/dbraw/zinc/19/99/94/804199994.db2.gz YGOWKTYFYDGXFN-JLLWLGSASA-N 1 3 287.234 3.394 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)N[C@H]1C[C@H]([NH3+])C1 ZINC001246190667 804200670 /nfs/dbraw/zinc/20/06/70/804200670.db2.gz RBODTEJAVJIQMA-LSJOCFKGSA-N 1 3 288.769 3.019 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@H]1C[C@H](N)C1 ZINC001246190667 804200676 /nfs/dbraw/zinc/20/06/76/804200676.db2.gz RBODTEJAVJIQMA-LSJOCFKGSA-N 1 3 288.769 3.019 20 0 CGADHO CC[C@@H]1C[C@H](N[C@H]2C[C@@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246214187 804211393 /nfs/dbraw/zinc/21/13/93/804211393.db2.gz YRZPISIYLUDILM-ICUGJSFKSA-N 1 3 272.436 3.441 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246220667 804214523 /nfs/dbraw/zinc/21/45/23/804214523.db2.gz LJVDYXUNOHVRQG-XPGAZNKBSA-N 1 3 299.245 3.122 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246221195 804215017 /nfs/dbraw/zinc/21/50/17/804215017.db2.gz JHMNAXWBFIJNDI-KSZLIROESA-N 1 3 292.442 3.325 20 0 CGADHO CC[C@H]1CC(NCCc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246234873 804227130 /nfs/dbraw/zinc/22/71/30/804227130.db2.gz OTTQYHQKACJEGP-HOTGVXAUSA-N 1 3 290.451 3.137 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)CC2)CCN1 ZINC001246261383 804241855 /nfs/dbraw/zinc/24/18/55/804241855.db2.gz CVXULYMIJVHFNZ-KLHDSHLOSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2coc3ccccc23)CC[NH2+]1 ZINC001246260485 804242267 /nfs/dbraw/zinc/24/22/67/804242267.db2.gz GRHARQANEARGKE-NVXWUHKLSA-N 1 3 286.419 3.342 20 0 CGADHO OCCCCCCCCCCCCN[C@H]1CCC[NH2+]C1 ZINC001246274660 804251217 /nfs/dbraw/zinc/25/12/17/804251217.db2.gz YYRUPFKPVSOHHD-KRWDZBQOSA-N 1 3 284.488 3.221 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC001246274971 804251688 /nfs/dbraw/zinc/25/16/88/804251688.db2.gz XTBYRKOUDTWXFR-VXGBXAGGSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@H](Cc1cccc(F)c1)NCC1([NH3+])CCCCC1 ZINC001246280961 804256625 /nfs/dbraw/zinc/25/66/25/804256625.db2.gz XXUWOQPHJCJQFC-CYBMUJFWSA-N 1 3 264.388 3.008 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246281074 804257042 /nfs/dbraw/zinc/25/70/42/804257042.db2.gz YZZCEOPSCFHWPR-XVSSEFHLSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H](CCN)[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001246299647 804267120 /nfs/dbraw/zinc/26/71/20/804267120.db2.gz JAKCHKSTNCSJIC-VXGBXAGGSA-N 1 3 299.256 3.097 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H](C)Cc1ccccc1Cl ZINC001246304520 804270371 /nfs/dbraw/zinc/27/03/71/804270371.db2.gz AGXJPTZAGDOTCY-OCCSQVGLSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@@H]1C[C@@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246308744 804272054 /nfs/dbraw/zinc/27/20/54/804272054.db2.gz MBPFAXWJBDCCOY-CABCVRRESA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246312148 804273904 /nfs/dbraw/zinc/27/39/04/804273904.db2.gz GEKNFECQZRNNEY-ONGXEEELSA-N 1 3 290.785 3.266 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CC2CCCCC2)CCN1 ZINC001246313286 804274775 /nfs/dbraw/zinc/27/47/75/804274775.db2.gz BXQZMFMSHYOXMA-NUEKZKHPSA-N 1 3 252.446 3.466 20 0 CGADHO CCCCCC1CCC([NH2+][C@H](C)C2CNC2)CC1 ZINC001246314574 804275567 /nfs/dbraw/zinc/27/55/67/804275567.db2.gz GWKZYEALDYLWOB-VQCLRJIVSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)(Cc1ccccc1F)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246312966 804275750 /nfs/dbraw/zinc/27/57/50/804275750.db2.gz XDXAHOPQTGPIOY-CQSZACIVSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)(Cc1ccccc1F)N[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246312966 804275757 /nfs/dbraw/zinc/27/57/57/804275757.db2.gz XDXAHOPQTGPIOY-CQSZACIVSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)[C@H]1C[C@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246330637 804286146 /nfs/dbraw/zinc/28/61/46/804286146.db2.gz DLCNOYXRFGNWQR-IAGOWNOFSA-N 1 3 272.436 3.084 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CCN1 ZINC001246331657 804286687 /nfs/dbraw/zinc/28/66/87/804286687.db2.gz BPRXWWHYEIMPFY-STQMWFEESA-N 1 3 286.612 3.230 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCNC(C)(C)C2)CC1 ZINC001246333188 804288062 /nfs/dbraw/zinc/28/80/62/804288062.db2.gz JMAXANSIVFXCIY-NRXISQOPSA-N 1 3 252.446 3.321 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001246343002 804294149 /nfs/dbraw/zinc/29/41/49/804294149.db2.gz DJTGBDGBJPSJRV-ZFWWWQNUSA-N 1 3 280.481 3.439 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246344053 804296170 /nfs/dbraw/zinc/29/61/70/804296170.db2.gz ALWCSDYZFLCIFS-ZBFHGGJFSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2ccc(F)cc2Cl)C[C@H](C)[NH2+]1 ZINC001246344628 804296762 /nfs/dbraw/zinc/29/67/62/804296762.db2.gz CAILADSIPRZCIT-GNXNZQSNSA-N 1 3 284.806 3.140 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C[C@H](C)N1 ZINC001246344628 804296767 /nfs/dbraw/zinc/29/67/67/804296767.db2.gz CAILADSIPRZCIT-GNXNZQSNSA-N 1 3 284.806 3.140 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@@H](C[NH3+])C(C)(C)C ZINC001246344946 804296820 /nfs/dbraw/zinc/29/68/20/804296820.db2.gz LKHVBORTGPIONL-HZMBPMFUSA-N 1 3 286.822 3.373 20 0 CGADHO CC[C@H]1C[C@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246346792 804298602 /nfs/dbraw/zinc/29/86/02/804298602.db2.gz JAIBHHDPRJXRHE-UONOGXRCSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1CC([NH2+]C(C)(C)C2CCCCC2)C[C@@H](C)N1 ZINC001246356549 804300922 /nfs/dbraw/zinc/30/09/22/804300922.db2.gz UVKDWLRYZIAYOW-CHWSQXEVSA-N 1 3 252.446 3.464 20 0 CGADHO CC(C)(CCN)[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246358737 804304743 /nfs/dbraw/zinc/30/47/43/804304743.db2.gz GPVWSCAMMQRXSA-UHFFFAOYSA-N 1 3 260.425 3.430 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccccc1C1CC1)CC2 ZINC001139883389 804311192 /nfs/dbraw/zinc/31/11/92/804311192.db2.gz RBYSDTQBYONPOW-UHFFFAOYSA-N 1 3 270.420 3.092 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246378561 804311203 /nfs/dbraw/zinc/31/12/03/804311203.db2.gz WYSKJBXHKQMUFZ-BBRMVZONSA-N 1 3 292.854 3.175 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246376167 804312464 /nfs/dbraw/zinc/31/24/64/804312464.db2.gz MOGBTCIZVSTDFD-RTBURBONSA-N 1 3 286.463 3.302 20 0 CGADHO CC[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CCNCC1 ZINC001246394495 804319631 /nfs/dbraw/zinc/31/96/31/804319631.db2.gz SIOPAZKTKWNQRE-CYBMUJFWSA-N 1 3 280.843 3.393 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246422168 804327351 /nfs/dbraw/zinc/32/73/51/804327351.db2.gz ROHNSBVVTBJUCR-DZGCQCFKSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246431067 804330009 /nfs/dbraw/zinc/33/00/09/804330009.db2.gz IXIVRJYPWXYCFJ-WMLDXEAASA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]C1(CC)CCNCC1 ZINC001246425759 804330642 /nfs/dbraw/zinc/33/06/42/804330642.db2.gz YTMSYLFIGFCTPK-INIZCTEOSA-N 1 3 260.425 3.130 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+][C@H]1CC12CNC2 ZINC001246445565 804334630 /nfs/dbraw/zinc/33/46/30/804334630.db2.gz PLWYDJLNSQYVSX-CABCVRRESA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@@H](C)OCC[C@H](C)[NH2+]C1(CC2CCC2)CCNCC1 ZINC001246447139 804336292 /nfs/dbraw/zinc/33/62/92/804336292.db2.gz OWHOMIOCEMBDSY-JKSUJKDBSA-N 1 3 296.499 3.482 20 0 CGADHO CN[C@H]1C[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001246463858 804344663 /nfs/dbraw/zinc/34/46/63/804344663.db2.gz XKNJKIUWQNWDMR-GWEOLNPGSA-N 1 3 258.409 3.053 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246463006 804344904 /nfs/dbraw/zinc/34/49/04/804344904.db2.gz UIMDLWKHXVXFJV-YVSFHVDLSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246463006 804344913 /nfs/dbraw/zinc/34/49/13/804344913.db2.gz UIMDLWKHXVXFJV-YVSFHVDLSA-N 1 3 258.409 3.053 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246467194 804345933 /nfs/dbraw/zinc/34/59/33/804345933.db2.gz SKNQOJKVUIMFDB-ZJPYXAASSA-N 1 3 284.447 3.369 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCNCC34CC4)C2)cc1 ZINC001246472257 804348526 /nfs/dbraw/zinc/34/85/26/804348526.db2.gz HSGLRDGZSYLIKI-KURKYZTESA-N 1 3 284.447 3.445 20 0 CGADHO C1=C[C@H](NC2CCC(Cc3ccccc3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246474776 804351218 /nfs/dbraw/zinc/35/12/18/804351218.db2.gz BIWNZHQBBCVGHW-ROOBUULFSA-N 1 3 296.458 3.152 20 0 CGADHO C[C@H]1CC[C@H](NCCCCC2CCCCC2)C[NH2+]1 ZINC001246480227 804353721 /nfs/dbraw/zinc/35/37/21/804353721.db2.gz WRCUQMJRLXMNOI-HOCLYGCPSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1CC[C@@H](NCCCCC2CCCCC2)C[NH2+]1 ZINC001246480226 804355091 /nfs/dbraw/zinc/35/50/91/804355091.db2.gz WRCUQMJRLXMNOI-GOEBONIOSA-N 1 3 252.446 3.467 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCCNC1 ZINC001246496506 804360737 /nfs/dbraw/zinc/36/07/37/804360737.db2.gz JPYLDVYJDBOQQX-NVXWUHKLSA-N 1 3 258.409 3.186 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246498144 804362186 /nfs/dbraw/zinc/36/21/86/804362186.db2.gz UIMDLWKHXVXFJV-VQHPVUNQSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246498144 804362193 /nfs/dbraw/zinc/36/21/93/804362193.db2.gz UIMDLWKHXVXFJV-VQHPVUNQSA-N 1 3 258.409 3.053 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C2CCC2)C2CNC2)cc1 ZINC001246512130 804367509 /nfs/dbraw/zinc/36/75/09/804367509.db2.gz ARJXLCIBLRVMNJ-DNVCBOLYSA-N 1 3 286.463 3.294 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246515229 804368849 /nfs/dbraw/zinc/36/88/49/804368849.db2.gz KPFMSIVCJWAWQQ-XJKSGUPXSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)C1CNC1 ZINC001246513915 804369723 /nfs/dbraw/zinc/36/97/23/804369723.db2.gz GCKYEUAKDHULOE-UYSNPLJNSA-N 1 3 266.473 3.425 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246513890 804369733 /nfs/dbraw/zinc/36/97/33/804369733.db2.gz FUPNPNQRGPAXCE-RCBQFDQVSA-N 1 3 252.446 3.179 20 0 CGADHO CN(CCc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246517635 804372684 /nfs/dbraw/zinc/37/26/84/804372684.db2.gz ALFQBXGWWXKOQL-DLBZAZTESA-N 1 3 274.452 3.328 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@H](C3CC3)C3CNC3)C2)cc1 ZINC001246520445 804373102 /nfs/dbraw/zinc/37/31/02/804373102.db2.gz WAFKTXPTJBMLFS-BHIYHBOVSA-N 1 3 284.447 3.300 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246519590 804373813 /nfs/dbraw/zinc/37/38/13/804373813.db2.gz SJJUGVVURGQKLP-RTBURBONSA-N 1 3 286.463 3.376 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2CCC[C@@](C)(N)C2)CC1 ZINC001246539393 804387845 /nfs/dbraw/zinc/38/78/45/804387845.db2.gz KNRKBYZMIYPZRD-ZBCRRDGASA-N 1 3 252.446 3.405 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2CCC[C@@](C)(N)C2)CC1 ZINC001246539393 804387854 /nfs/dbraw/zinc/38/78/54/804387854.db2.gz KNRKBYZMIYPZRD-ZBCRRDGASA-N 1 3 252.446 3.405 20 0 CGADHO C[C@@H]1CN([C@@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540642 804390592 /nfs/dbraw/zinc/39/05/92/804390592.db2.gz BWTKKHRQJAKGRH-GDBMZVCRSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540642 804390601 /nfs/dbraw/zinc/39/06/01/804390601.db2.gz BWTKKHRQJAKGRH-GDBMZVCRSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540642 804390609 /nfs/dbraw/zinc/39/06/09/804390609.db2.gz BWTKKHRQJAKGRH-GDBMZVCRSA-N 1 3 270.420 3.280 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CCC[C@@H]([NH3+])CC2)cc1 ZINC001246548410 804399756 /nfs/dbraw/zinc/39/97/56/804399756.db2.gz TXIYXNVDEIPWFT-LSDHHAIUSA-N 1 3 278.465 3.289 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246554525 804404280 /nfs/dbraw/zinc/40/42/80/804404280.db2.gz VZJGPHFCKHJTGC-HZSPNIEDSA-N 1 3 296.455 3.223 20 0 CGADHO CC(C)CN(Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246556812 804406607 /nfs/dbraw/zinc/40/66/07/804406607.db2.gz DQGRKNJFALQWOX-PIIMJCKOSA-N 1 3 272.436 3.428 20 0 CGADHO CCC1CC[NH+]([C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246589981 804431427 /nfs/dbraw/zinc/43/14/27/804431427.db2.gz QRYALOGSEGKKQD-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246591200 804433238 /nfs/dbraw/zinc/43/32/38/804433238.db2.gz MVEBIYSEVWHULG-IGCXYCKISA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246591200 804433239 /nfs/dbraw/zinc/43/32/39/804433239.db2.gz MVEBIYSEVWHULG-IGCXYCKISA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246591636 804433376 /nfs/dbraw/zinc/43/33/76/804433376.db2.gz NHPIKVNTTCOHPX-IPYPFGDCSA-N 1 3 292.854 3.257 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001246594013 804435194 /nfs/dbraw/zinc/43/51/94/804435194.db2.gz UVZFVXKJCRFKIN-RLFYNMQTSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001246594013 804435198 /nfs/dbraw/zinc/43/51/98/804435198.db2.gz UVZFVXKJCRFKIN-RLFYNMQTSA-N 1 3 274.452 3.239 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599232 804438923 /nfs/dbraw/zinc/43/89/23/804438923.db2.gz BIJVWVZZNXAAJA-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599232 804438924 /nfs/dbraw/zinc/43/89/24/804438924.db2.gz BIJVWVZZNXAAJA-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CC[C@H](CC(C)C)[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246611377 804444991 /nfs/dbraw/zinc/44/49/91/804444991.db2.gz PFSQAQPDIRYKSY-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@H](CC(C)C)[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC001246611377 804444993 /nfs/dbraw/zinc/44/49/93/804444993.db2.gz PFSQAQPDIRYKSY-HZPDHXFCSA-N 1 3 252.446 3.277 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246618428 804451460 /nfs/dbraw/zinc/45/14/60/804451460.db2.gz FNBGNILBCIRMAK-UKRRQHHQSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001246618428 804451467 /nfs/dbraw/zinc/45/14/67/804451467.db2.gz FNBGNILBCIRMAK-UKRRQHHQSA-N 1 3 270.486 3.125 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC001246628783 804458975 /nfs/dbraw/zinc/45/89/75/804458975.db2.gz ZRTBHOOEWFWVLB-GJZGRUSLSA-N 1 3 250.430 3.316 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+]2CCC23CCCC3)CCN1 ZINC001246628783 804458976 /nfs/dbraw/zinc/45/89/76/804458976.db2.gz ZRTBHOOEWFWVLB-GJZGRUSLSA-N 1 3 250.430 3.316 20 0 CGADHO c1ccc(C2CCC(N3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246637526 804465400 /nfs/dbraw/zinc/46/54/00/804465400.db2.gz ZMDVBLJDOWHDEV-ZGUYJTEBSA-N 1 3 270.420 3.149 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)N(C)CCC[NH3+] ZINC001246681780 804494483 /nfs/dbraw/zinc/49/44/83/804494483.db2.gz QNCMJQIWOFUBOS-NSHDSACASA-N 1 3 272.845 3.101 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246685711 804495625 /nfs/dbraw/zinc/49/56/25/804495625.db2.gz AWPVIYJBSCYYHJ-XHSDSOJGSA-N 1 3 268.420 3.145 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246685711 804495632 /nfs/dbraw/zinc/49/56/32/804495632.db2.gz AWPVIYJBSCYYHJ-XHSDSOJGSA-N 1 3 268.420 3.145 20 0 CGADHO CCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246689364 804497980 /nfs/dbraw/zinc/49/79/80/804497980.db2.gz JIWSQVDRWORHBQ-ARFHVFGLSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246689364 804497984 /nfs/dbraw/zinc/49/79/84/804497984.db2.gz JIWSQVDRWORHBQ-ARFHVFGLSA-N 1 3 270.436 3.369 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246693767 804499916 /nfs/dbraw/zinc/49/99/16/804499916.db2.gz QPRMWSDZFBMRNW-IRXDYDNUSA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246693767 804499922 /nfs/dbraw/zinc/49/99/22/804499922.db2.gz QPRMWSDZFBMRNW-IRXDYDNUSA-N 1 3 284.463 3.471 20 0 CGADHO CCCC1CC[NH+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246774795 804505163 /nfs/dbraw/zinc/50/51/63/804505163.db2.gz GPQTXAIULAWSMO-HNNXBMFYSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246779657 804506131 /nfs/dbraw/zinc/50/61/31/804506131.db2.gz IIBUXCQPVHAWRU-MSOLQXFVSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246779657 804506136 /nfs/dbraw/zinc/50/61/36/804506136.db2.gz IIBUXCQPVHAWRU-MSOLQXFVSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246779658 804506207 /nfs/dbraw/zinc/50/62/07/804506207.db2.gz IIBUXCQPVHAWRU-QZTJIDSGSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246779658 804506214 /nfs/dbraw/zinc/50/62/14/804506214.db2.gz IIBUXCQPVHAWRU-QZTJIDSGSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246780255 804508594 /nfs/dbraw/zinc/50/85/94/804508594.db2.gz BJQIQQUZMVKWQH-ZWKOTPCHSA-N 1 3 286.463 3.254 20 0 CGADHO C[C@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246789316 804513993 /nfs/dbraw/zinc/51/39/93/804513993.db2.gz UUNUSAFUIQNQMI-SUMWQHHRSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)CCN1 ZINC001246789316 804513999 /nfs/dbraw/zinc/51/39/99/804513999.db2.gz UUNUSAFUIQNQMI-SUMWQHHRSA-N 1 3 276.399 3.146 20 0 CGADHO CCC[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790822 804514234 /nfs/dbraw/zinc/51/42/34/804514234.db2.gz MZCCSWTXCITKCK-XUWVNRHRSA-N 1 3 250.430 3.314 20 0 CGADHO CCC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246790822 804514240 /nfs/dbraw/zinc/51/42/40/804514240.db2.gz MZCCSWTXCITKCK-XUWVNRHRSA-N 1 3 250.430 3.314 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H](CN)C1 ZINC001246796636 804518881 /nfs/dbraw/zinc/51/88/81/804518881.db2.gz MTEMHTZYDFOTTP-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](CN)C1 ZINC001246796636 804518886 /nfs/dbraw/zinc/51/88/86/804518886.db2.gz MTEMHTZYDFOTTP-SJORKVTESA-N 1 3 260.425 3.069 20 0 CGADHO C[N@H+](CCc1ccc(Cl)cc1)[C@H]1CCNC2(CCC2)C1 ZINC001246815256 804531832 /nfs/dbraw/zinc/53/18/32/804531832.db2.gz WTHCGZHLSBAWDN-INIZCTEOSA-N 1 3 292.854 3.489 20 0 CGADHO C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CCNC2(CCC2)C1 ZINC001246815256 804531834 /nfs/dbraw/zinc/53/18/34/804531834.db2.gz WTHCGZHLSBAWDN-INIZCTEOSA-N 1 3 292.854 3.489 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](C)CC2CCCC2)C[C@H](CC)N1 ZINC001246841114 804549716 /nfs/dbraw/zinc/54/97/16/804549716.db2.gz MOCVZXJRIWTZKP-MUJYYYPQSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](C)CC2CCCC2)C[C@H](CC)N1 ZINC001246841114 804549718 /nfs/dbraw/zinc/54/97/18/804549718.db2.gz MOCVZXJRIWTZKP-MUJYYYPQSA-N 1 3 252.446 3.418 20 0 CGADHO C[N@H+](C[C@H]1CCCNC1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844266 804551488 /nfs/dbraw/zinc/55/14/88/804551488.db2.gz YDWLGCRQXGLJLQ-JQHSSLGASA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@H]1CCCNC1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246844266 804551492 /nfs/dbraw/zinc/55/14/92/804551492.db2.gz YDWLGCRQXGLJLQ-JQHSSLGASA-N 1 3 272.436 3.254 20 0 CGADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844626 804554943 /nfs/dbraw/zinc/55/49/43/804554943.db2.gz ZTJNUXHEACYEFP-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844626 804554950 /nfs/dbraw/zinc/55/49/50/804554950.db2.gz ZTJNUXHEACYEFP-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246844626 804554956 /nfs/dbraw/zinc/55/49/56/804554956.db2.gz ZTJNUXHEACYEFP-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246847592 804557745 /nfs/dbraw/zinc/55/77/45/804557745.db2.gz UWXOZFNSAGNTEM-MJBXVCDLSA-N 1 3 252.446 3.131 20 0 CGADHO C[N@@H+](C[C@@H]1CC1(C)C)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246847592 804557751 /nfs/dbraw/zinc/55/77/51/804557751.db2.gz UWXOZFNSAGNTEM-MJBXVCDLSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850232 804559998 /nfs/dbraw/zinc/55/99/98/804559998.db2.gz INUPMCRATMKHEO-BJJXKVORSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850232 804560003 /nfs/dbraw/zinc/56/00/03/804560003.db2.gz INUPMCRATMKHEO-BJJXKVORSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@H]1C[C@@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850232 804560007 /nfs/dbraw/zinc/56/00/07/804560007.db2.gz INUPMCRATMKHEO-BJJXKVORSA-N 1 3 278.827 3.270 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246851062 804560068 /nfs/dbraw/zinc/56/00/68/804560068.db2.gz YDOWTOAQIKZTJG-NJAFHUGGSA-N 1 3 290.426 3.392 20 0 CGADHO C[C@H]1Cc2ccccc2CN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875329 804575094 /nfs/dbraw/zinc/57/50/94/804575094.db2.gz ZZMOZGIKHNQCBS-YOEHRIQHSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246875329 804575098 /nfs/dbraw/zinc/57/50/98/804575098.db2.gz ZZMOZGIKHNQCBS-YOEHRIQHSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246875329 804575106 /nfs/dbraw/zinc/57/51/06/804575106.db2.gz ZZMOZGIKHNQCBS-YOEHRIQHSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@@H](Cc1ccco1)[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001246912751 804596659 /nfs/dbraw/zinc/59/66/59/804596659.db2.gz FUENGJGGOPLYNJ-INIZCTEOSA-N 1 3 298.430 3.465 20 0 CGADHO C[C@@H](Cc1ccco1)[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001246912751 804596662 /nfs/dbraw/zinc/59/66/62/804596662.db2.gz FUENGJGGOPLYNJ-INIZCTEOSA-N 1 3 298.430 3.465 20 0 CGADHO CCCCCC[C@H](C)[N@H+](CCOCC)C1CCNCC1 ZINC001246949938 804616370 /nfs/dbraw/zinc/61/63/70/804616370.db2.gz MDEXPIPXNYQEGM-INIZCTEOSA-N 1 3 284.488 3.436 20 0 CGADHO CCCCCC[C@H](C)[N@@H+](CCOCC)C1CCNCC1 ZINC001246949938 804616373 /nfs/dbraw/zinc/61/63/73/804616373.db2.gz MDEXPIPXNYQEGM-INIZCTEOSA-N 1 3 284.488 3.436 20 0 CGADHO FC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC001256850646 806991760 /nfs/dbraw/zinc/99/17/60/806991760.db2.gz GKIQEOGYJZBUMG-GOSISDBHSA-N 1 3 299.393 3.351 20 0 CGADHO CCC(CC)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001257291552 807088934 /nfs/dbraw/zinc/08/89/34/807088934.db2.gz HWCRICFNUXYRIY-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@@H](C)[NH+]1CCC(N)(CC(=O)OCC)CC1 ZINC001257364007 807125597 /nfs/dbraw/zinc/12/55/97/807125597.db2.gz ULEUPOFWADRDRM-OAHLLOKOSA-N 1 3 298.471 3.092 20 0 CGADHO C1CCC(N2CCC([NH2+]C3CCCCC3)CC2)C1 ZINC001257452219 807163339 /nfs/dbraw/zinc/16/33/39/807163339.db2.gz MMEWJCIEVVXHCB-UHFFFAOYSA-N 1 3 250.430 3.316 20 0 CGADHO CCCCC[C@@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001257519927 807193208 /nfs/dbraw/zinc/19/32/08/807193208.db2.gz PUVBUFIPOQAPRD-MRXNPFEDSA-N 1 3 275.440 3.481 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@@H](C)c2ccc(O)cc2)CC1 ZINC001258003766 807262575 /nfs/dbraw/zinc/26/25/75/807262575.db2.gz SURPOJQCJHVWMD-OAHLLOKOSA-N 1 3 290.451 3.206 20 0 CGADHO CC(C)CN1CCC([NH2+]CCCc2ccccc2F)CC1 ZINC001258003901 807263188 /nfs/dbraw/zinc/26/31/88/807263188.db2.gz ZRHJTNCKMCHJST-UHFFFAOYSA-N 1 3 292.442 3.468 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001258012158 807267068 /nfs/dbraw/zinc/26/70/68/807267068.db2.gz UIOSMLSMMSKFAY-CYBMUJFWSA-N 1 3 274.399 3.084 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001258012158 807267071 /nfs/dbraw/zinc/26/70/71/807267071.db2.gz UIOSMLSMMSKFAY-CYBMUJFWSA-N 1 3 274.399 3.084 20 0 CGADHO c1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167959892 807286914 /nfs/dbraw/zinc/28/69/14/807286914.db2.gz UGNJOUZGFRWSGL-MQVJKMGUSA-N 1 3 290.476 3.286 20 0 CGADHO c1csc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167959892 807286918 /nfs/dbraw/zinc/28/69/18/807286918.db2.gz UGNJOUZGFRWSGL-MQVJKMGUSA-N 1 3 290.476 3.286 20 0 CGADHO C[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167962282 807287989 /nfs/dbraw/zinc/28/79/89/807287989.db2.gz WETQSXUXICNERT-CJFPBWAHSA-N 1 3 262.441 3.170 20 0 CGADHO c1cnc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2c1 ZINC001168356318 807392309 /nfs/dbraw/zinc/39/23/09/807392309.db2.gz OLMYINWUFJUOQL-UHFFFAOYSA-N 1 3 295.430 3.199 20 0 CGADHO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC3CC3)CC1)CC2 ZINC001168359920 807392679 /nfs/dbraw/zinc/39/26/79/807392679.db2.gz HWSLCDMVYCODOI-SFHVURJKSA-N 1 3 288.410 3.277 20 0 CGADHO Cc1noc2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc12 ZINC001168366054 807395474 /nfs/dbraw/zinc/39/54/74/807395474.db2.gz JDZVLXVPRDCPSU-UHFFFAOYSA-N 1 3 299.418 3.100 20 0 CGADHO CC1(C)CCC[C@@H]([NH+]2CCN(c3ccncc3)CC2)C1 ZINC001258283934 807395910 /nfs/dbraw/zinc/39/59/10/807395910.db2.gz UXURZYGTGZFCPU-MRXNPFEDSA-N 1 3 273.424 3.172 20 0 CGADHO COc1cccc(C[N@H+](C)C2CCN(CC3CC3)CC2)c1 ZINC001168380405 807399298 /nfs/dbraw/zinc/39/92/98/807399298.db2.gz SCWXXXUEYRSUHZ-UHFFFAOYSA-N 1 3 288.435 3.001 20 0 CGADHO COc1cccc(C[N@@H+](C)C2CCN(CC3CC3)CC2)c1 ZINC001168380405 807399306 /nfs/dbraw/zinc/39/93/06/807399306.db2.gz SCWXXXUEYRSUHZ-UHFFFAOYSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258455085 807460899 /nfs/dbraw/zinc/46/08/99/807460899.db2.gz VSUCJOXXWWQZFB-HNNXBMFYSA-N 1 3 287.451 3.072 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258657702 807528307 /nfs/dbraw/zinc/52/83/07/807528307.db2.gz ZOFSLVWGEHSQQR-CEXWTWQISA-N 1 3 286.463 3.281 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258657702 807528314 /nfs/dbraw/zinc/52/83/14/807528314.db2.gz ZOFSLVWGEHSQQR-CEXWTWQISA-N 1 3 286.463 3.281 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001258679043 807540286 /nfs/dbraw/zinc/54/02/86/807540286.db2.gz ZCHHYCOJIRBSAW-QCZZGDTMSA-N 1 3 287.234 3.394 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](C)CN ZINC001258708446 807561151 /nfs/dbraw/zinc/56/11/51/807561151.db2.gz XUWNKHKDXPEWQH-DOTOQJQBSA-N 1 3 262.441 3.315 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)CN ZINC001258708446 807561154 /nfs/dbraw/zinc/56/11/54/807561154.db2.gz XUWNKHKDXPEWQH-DOTOQJQBSA-N 1 3 262.441 3.315 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC001169112827 807580238 /nfs/dbraw/zinc/58/02/38/807580238.db2.gz TXPNUKDDDXEZKC-NNZMDNLPSA-N 1 3 270.420 3.279 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(Cc3ccccc3F)CC1)C2 ZINC001169118819 807583044 /nfs/dbraw/zinc/58/30/44/807583044.db2.gz OEYFZJNJPVUIIR-PHZGNYQRSA-N 1 3 288.410 3.116 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(Cc3ccccc3F)CC1)C2 ZINC001169118819 807583048 /nfs/dbraw/zinc/58/30/48/807583048.db2.gz OEYFZJNJPVUIIR-PHZGNYQRSA-N 1 3 288.410 3.116 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C)Cc1ccc(Cl)cc1)C2 ZINC001169142445 807589746 /nfs/dbraw/zinc/58/97/46/807589746.db2.gz UVNSPGQWDFKWEL-ZSHCYNCHSA-N 1 3 278.827 3.397 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)Cc1ccc(Cl)cc1)C2 ZINC001169142445 807589748 /nfs/dbraw/zinc/58/97/48/807589748.db2.gz UVNSPGQWDFKWEL-ZSHCYNCHSA-N 1 3 278.827 3.397 20 0 CGADHO CCN(Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152877 807594425 /nfs/dbraw/zinc/59/44/25/807594425.db2.gz FYZOWOOIGFVDJV-FVQHAEBGSA-N 1 3 288.435 3.142 20 0 CGADHO CCN(Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152877 807594429 /nfs/dbraw/zinc/59/44/29/807594429.db2.gz FYZOWOOIGFVDJV-FVQHAEBGSA-N 1 3 288.435 3.142 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001258768515 807603780 /nfs/dbraw/zinc/60/37/80/807603780.db2.gz OLDRVPYYMDGEOB-SJORKVTESA-N 1 3 276.399 3.146 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC001261566367 807758001 /nfs/dbraw/zinc/75/80/01/807758001.db2.gz CFTPFODHTFJJLI-LSDHHAIUSA-N 1 3 288.439 3.194 20 0 CGADHO C[C@H](Cc1ccccc1Cl)[NH+]1CCC2(CN(C)C2)CC1 ZINC001170288697 807816373 /nfs/dbraw/zinc/81/63/73/807816373.db2.gz UJOSTXCLFXBEKO-CQSZACIVSA-N 1 3 292.854 3.299 20 0 CGADHO CO[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC001262202620 807837437 /nfs/dbraw/zinc/83/74/37/807837437.db2.gz YKTJJZDYRDIFGM-BZUAXINKSA-N 1 3 294.414 3.009 20 0 CGADHO CC1(C)[C@@H]2C[C@@H](N3CCC([NH3+])(c4ccccc4)CC3)C[C@@H]21 ZINC001170737602 807894411 /nfs/dbraw/zinc/89/44/11/807894411.db2.gz HSYXFJNBVYQUKY-OSYLJGHBSA-N 1 3 284.447 3.371 20 0 CGADHO Clc1cccc2c1C[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC001170889452 807925575 /nfs/dbraw/zinc/92/55/75/807925575.db2.gz NMAMXEBZGXCTFP-HNNXBMFYSA-N 1 3 292.854 3.273 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022193 807962887 /nfs/dbraw/zinc/96/28/87/807962887.db2.gz JTSCZLNZRIMITF-HUUCEWRRSA-N 1 3 292.854 3.271 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171149520 807998521 /nfs/dbraw/zinc/99/85/21/807998521.db2.gz XHGHYQBTTRPVHW-BXKDBHETSA-N 1 3 287.234 3.035 20 0 CGADHO Cc1ccc(CC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001171554455 808094490 /nfs/dbraw/zinc/09/44/90/808094490.db2.gz HRPVXAIOGSBVJJ-UHFFFAOYSA-N 1 3 295.430 3.145 20 0 CGADHO Cc1ccc(CC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC001171554455 808094494 /nfs/dbraw/zinc/09/44/94/808094494.db2.gz HRPVXAIOGSBVJJ-UHFFFAOYSA-N 1 3 295.430 3.145 20 0 CGADHO Cc1cccc2c1CC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C2 ZINC001171559478 808095745 /nfs/dbraw/zinc/09/57/45/808095745.db2.gz GNQKLSLGTSTIQZ-BZSNNMDCSA-N 1 3 286.463 3.315 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H](CO)C2CCCCC2)CC1(C)C ZINC001171622930 808106928 /nfs/dbraw/zinc/10/69/28/808106928.db2.gz DAYYVHTZEHQOLW-MRXNPFEDSA-N 1 3 296.499 3.169 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@H]3CCCO[C@H]3C2)CC1(C)C ZINC001171631232 808108261 /nfs/dbraw/zinc/10/82/61/808108261.db2.gz GJNOPDBTJIFMFL-ZBFHGGJFSA-N 1 3 294.483 3.139 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1(C)C ZINC001171631232 808108266 /nfs/dbraw/zinc/10/82/66/808108266.db2.gz GJNOPDBTJIFMFL-ZBFHGGJFSA-N 1 3 294.483 3.139 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CCC([NH+](C)C)CC2)cc1 ZINC001171665774 808116639 /nfs/dbraw/zinc/11/66/39/808116639.db2.gz PKZBFUMOWPDNAY-INIZCTEOSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH+]2CCC(N(C)C)CC2)cc1 ZINC001171665774 808116643 /nfs/dbraw/zinc/11/66/43/808116643.db2.gz PKZBFUMOWPDNAY-INIZCTEOSA-N 1 3 274.452 3.342 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3ncccc13)C2 ZINC001172104419 808174890 /nfs/dbraw/zinc/17/48/90/808174890.db2.gz FSRTZFHEVOKYFC-OSYLJGHBSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3ncccc13)C2 ZINC001172104419 808174892 /nfs/dbraw/zinc/17/48/92/808174892.db2.gz FSRTZFHEVOKYFC-OSYLJGHBSA-N 1 3 295.430 3.340 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3cccnc31)C2 ZINC001172107455 808176896 /nfs/dbraw/zinc/17/68/96/808176896.db2.gz XUHFWTGZYGXDDR-YVSFHVDLSA-N 1 3 285.435 3.064 20 0 CGADHO Cn1ccc2ccc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc21 ZINC001172110091 808177663 /nfs/dbraw/zinc/17/76/63/808177663.db2.gz JZMKDZFJQKBTMG-BCDXTJNWSA-N 1 3 297.446 3.283 20 0 CGADHO Cn1ccc2ccc(CN[C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc21 ZINC001172110091 808177667 /nfs/dbraw/zinc/17/76/67/808177667.db2.gz JZMKDZFJQKBTMG-BCDXTJNWSA-N 1 3 297.446 3.283 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1cccnc1)C1CC1)C2 ZINC001172119289 808182159 /nfs/dbraw/zinc/18/21/59/808182159.db2.gz YBFOOYKNNMYQEP-MHORFTMASA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H](c1cccnc1)C1CC1)C2 ZINC001172119289 808182163 /nfs/dbraw/zinc/18/21/63/808182163.db2.gz YBFOOYKNNMYQEP-MHORFTMASA-N 1 3 285.435 3.138 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(F)C3)CC1)C2 ZINC001172120747 808182314 /nfs/dbraw/zinc/18/23/14/808182314.db2.gz MFQHIUHPNSKOOM-ZSHCYNCHSA-N 1 3 280.431 3.216 20 0 CGADHO CCOCC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172413267 808298957 /nfs/dbraw/zinc/29/89/57/808298957.db2.gz AEWBIIPQIARODP-INIZCTEOSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)COCC[C@@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172466437 808335356 /nfs/dbraw/zinc/33/53/56/808335356.db2.gz DYMMJLHTWLJPJV-OAHLLOKOSA-N 1 3 282.472 3.031 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)CC2 ZINC001172827718 808449374 /nfs/dbraw/zinc/44/93/74/808449374.db2.gz DUHZPZAFXFVYGQ-OTWHNJEPSA-N 1 3 286.463 3.315 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)CCCN(C)C ZINC001172849211 808461762 /nfs/dbraw/zinc/46/17/62/808461762.db2.gz KQKKVWCASNHENO-GFCCVEGCSA-N 1 3 286.822 3.294 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCCN(C)C ZINC001172849211 808461765 /nfs/dbraw/zinc/46/17/65/808461765.db2.gz KQKKVWCASNHENO-GFCCVEGCSA-N 1 3 286.822 3.294 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCCC1 ZINC001172854003 808463318 /nfs/dbraw/zinc/46/33/18/808463318.db2.gz FTVUHDPYJFBDCD-ZDUSSCGKSA-N 1 3 298.833 3.486 20 0 CGADHO CC[NH+](CC)C1CCC(N2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001173110342 808513721 /nfs/dbraw/zinc/51/37/21/808513721.db2.gz RVEVRJIGFSSACZ-FJBKBRRZSA-N 1 3 288.426 3.411 20 0 CGADHO C[C@@H](CN)C[N@H+](C)C1CCC2(CCCCC2)CC1 ZINC001173118196 808515103 /nfs/dbraw/zinc/51/51/03/808515103.db2.gz IQNOQYAUZWZMFL-AWEZNQCLSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)C1CCC2(CCCCC2)CC1 ZINC001173118196 808515107 /nfs/dbraw/zinc/51/51/07/808515107.db2.gz IQNOQYAUZWZMFL-AWEZNQCLSA-N 1 3 252.446 3.406 20 0 CGADHO CCc1ccc(C[C@@H](C)N2CCC([NH+]3CCC3)CC2)cc1 ZINC001173248303 808555258 /nfs/dbraw/zinc/55/52/58/808555258.db2.gz UBAVKHPNKCKUDT-MRXNPFEDSA-N 1 3 286.463 3.350 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001173250326 808558071 /nfs/dbraw/zinc/55/80/71/808558071.db2.gz PVRSNMCQZHBCEX-SFHVURJKSA-N 1 3 297.531 3.207 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([NH+]3CCC(OC)CC3)CC2)C1 ZINC001173283490 808584396 /nfs/dbraw/zinc/58/43/96/808584396.db2.gz LZTIOPBHVXHKEZ-WBVHZDCISA-N 1 3 294.483 3.140 20 0 CGADHO CCSC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001173293608 808593809 /nfs/dbraw/zinc/59/38/09/808593809.db2.gz GAONAIZZPVRZLK-LBPRGKRZSA-N 1 3 272.502 3.369 20 0 CGADHO CCSC[C@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001173294864 808595031 /nfs/dbraw/zinc/59/50/31/808595031.db2.gz IKMIUZVMPCJECA-ZDUSSCGKSA-N 1 3 296.455 3.217 20 0 CGADHO CC[N@@H+]1CC[C@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001173373477 808633752 /nfs/dbraw/zinc/63/37/52/808633752.db2.gz XOVSUUZLWMJAGV-GOEBONIOSA-N 1 3 298.434 3.118 20 0 CGADHO CC[N@H+]1CC[C@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001173373477 808633757 /nfs/dbraw/zinc/63/37/57/808633757.db2.gz XOVSUUZLWMJAGV-GOEBONIOSA-N 1 3 298.434 3.118 20 0 CGADHO Cc1cccc(CN2CCC3(CC[N@@H+](C)C3)CC2)c1F ZINC001276304740 809001809 /nfs/dbraw/zinc/00/18/09/809001809.db2.gz JMUYIYRWJZXTDY-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cccc(CN2CCC3(CC[N@H+](C)C3)CC2)c1F ZINC001276304740 809001816 /nfs/dbraw/zinc/00/18/16/809001816.db2.gz JMUYIYRWJZXTDY-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906266 809957064 /nfs/dbraw/zinc/95/70/64/809957064.db2.gz WHGSBDPGWINSIR-DNVCBOLYSA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CCC3)[C@H](C)C1 ZINC001179906266 809957068 /nfs/dbraw/zinc/95/70/68/809957068.db2.gz WHGSBDPGWINSIR-DNVCBOLYSA-N 1 3 286.463 3.337 20 0 CGADHO CC(C)(CC[N@@H+]1CCC[C@](C)(N)C1)c1ccccc1 ZINC001204938088 812786599 /nfs/dbraw/zinc/78/65/99/812786599.db2.gz IIGLXNKZMNYLRX-KRWDZBQOSA-N 1 3 260.425 3.168 20 0 CGADHO CC(C)(CC[N@H+]1CCC[C@](C)(N)C1)c1ccccc1 ZINC001204938088 812786603 /nfs/dbraw/zinc/78/66/03/812786603.db2.gz IIGLXNKZMNYLRX-KRWDZBQOSA-N 1 3 260.425 3.168 20 0 CGADHO COc1ccc2cc(CN3CCC[C@H]([NH3+])CC3)ccc2c1 ZINC001205093846 812859175 /nfs/dbraw/zinc/85/91/75/812859175.db2.gz GLZMXEWBMILDNQ-KRWDZBQOSA-N 1 3 284.403 3.162 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2cc3ccccc3s2)CC1 ZINC001205101775 812868138 /nfs/dbraw/zinc/86/81/38/812868138.db2.gz LISJNQJCIOQRIG-CYBMUJFWSA-N 1 3 260.406 3.215 20 0 CGADHO COc1c(C)cc(CN2CCC[C@@](C)([NH3+])CC2)cc1C ZINC001205266986 812923425 /nfs/dbraw/zinc/92/34/25/812923425.db2.gz ZJCYCDKSHVWBDS-QGZVFWFLSA-N 1 3 276.424 3.015 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205296097 812936243 /nfs/dbraw/zinc/93/62/43/812936243.db2.gz GREPWKSLYJYLCB-MAUKXSAKSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC001205296097 812936246 /nfs/dbraw/zinc/93/62/46/812936246.db2.gz GREPWKSLYJYLCB-MAUKXSAKSA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC001205296097 812936252 /nfs/dbraw/zinc/93/62/52/812936252.db2.gz GREPWKSLYJYLCB-MAUKXSAKSA-N 1 3 274.452 3.269 20 0 CGADHO C[C@@H]1CCN(Cc2cc(F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205618585 813028195 /nfs/dbraw/zinc/02/81/95/813028195.db2.gz XIJBBVWKYNKEJO-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1c(F)ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1F ZINC001205628882 813034371 /nfs/dbraw/zinc/03/43/71/813034371.db2.gz XLUBLKSWCYZFHO-DGCLKSJQSA-N 1 3 282.378 3.080 20 0 CGADHO CCCCOc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205904877 813127801 /nfs/dbraw/zinc/12/78/01/813127801.db2.gz XPISJZQCIPEBDQ-WBVHZDCISA-N 1 3 290.451 3.425 20 0 CGADHO C[C@H]1CN(Cc2cc(-c3ccccc3)on2)CCC[C@H]1C[NH3+] ZINC001205993172 813155890 /nfs/dbraw/zinc/15/58/90/813155890.db2.gz HKZDIPZHBLRTMT-HOCLYGCPSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@H]1CNCCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001206257870 813260285 /nfs/dbraw/zinc/26/02/85/813260285.db2.gz LCKSXBLDOOEXAJ-KRWDZBQOSA-N 1 3 290.451 3.057 20 0 CGADHO C[C@H]1CNCCC[N@H+]1CCCCCOCc1ccccc1 ZINC001206257870 813260291 /nfs/dbraw/zinc/26/02/91/813260291.db2.gz LCKSXBLDOOEXAJ-KRWDZBQOSA-N 1 3 290.451 3.057 20 0 CGADHO [NH3+]CCC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC001206500984 813337265 /nfs/dbraw/zinc/33/72/65/813337265.db2.gz YZOBGMJOGMAXKS-UHFFFAOYSA-N 1 3 284.806 3.082 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC001206541784 813344644 /nfs/dbraw/zinc/34/46/44/813344644.db2.gz KGCVVEUERXTIKH-SFHVURJKSA-N 1 3 283.419 3.186 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001206541784 813344652 /nfs/dbraw/zinc/34/46/52/813344652.db2.gz KGCVVEUERXTIKH-SFHVURJKSA-N 1 3 283.419 3.186 20 0 CGADHO CCOc1cccc(CN2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206550031 813348953 /nfs/dbraw/zinc/34/89/53/813348953.db2.gz TZMVONMPYQFQML-QGZVFWFLSA-N 1 3 276.424 3.036 20 0 CGADHO COc1cc(C)cc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206589490 813365273 /nfs/dbraw/zinc/36/52/73/813365273.db2.gz HNNVLLSGGYDCRF-KRWDZBQOSA-N 1 3 290.451 3.356 20 0 CGADHO NC[C@H]1CCCC[N@H+](CCCCCc2ccccc2)C1 ZINC001206607130 813372233 /nfs/dbraw/zinc/37/22/33/813372233.db2.gz WJAPHLLPCOTLID-GOSISDBHSA-N 1 3 274.452 3.460 20 0 CGADHO NC[C@H]1CCCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001206607130 813372240 /nfs/dbraw/zinc/37/22/40/813372240.db2.gz WJAPHLLPCOTLID-GOSISDBHSA-N 1 3 274.452 3.460 20 0 CGADHO Cc1ccc2c(C[N@@H+]3CCCC[C@H](CN)C3)c[nH]c2c1 ZINC001206615477 813375900 /nfs/dbraw/zinc/37/59/00/813375900.db2.gz DZNNHFXKTGLNEG-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1ccc2c(C[N@H+]3CCCC[C@H](CN)C3)c[nH]c2c1 ZINC001206615477 813375906 /nfs/dbraw/zinc/37/59/06/813375906.db2.gz DZNNHFXKTGLNEG-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1ccc2c(CN3CCCC[C@H](C[NH3+])C3)c[nH]c2c1 ZINC001206615477 813375913 /nfs/dbraw/zinc/37/59/13/813375913.db2.gz DZNNHFXKTGLNEG-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO CCCN1C[C@H]2C[NH+](CCC3CCCCC3)C[C@@H]2C1 ZINC001207261033 813523002 /nfs/dbraw/zinc/52/30/02/813523002.db2.gz IKKDSWBEZHHNAS-IRXDYDNUSA-N 1 3 264.457 3.230 20 0 CGADHO FC(F)C1CN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207295681 813538502 /nfs/dbraw/zinc/53/85/02/813538502.db2.gz ZDJJHAVPFLQMJA-UHFFFAOYSA-N 1 3 294.389 3.096 20 0 CGADHO Cc1cc(N2CCN(CCCC3CCCC3)CC2)cc[nH+]1 ZINC001208094997 813692851 /nfs/dbraw/zinc/69/28/51/813692851.db2.gz SARXUFOYZKZEFE-UHFFFAOYSA-N 1 3 287.451 3.482 20 0 CGADHO COc1ccc([C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001208612718 813774458 /nfs/dbraw/zinc/77/44/58/813774458.db2.gz NIRREEZOKIXFTB-HUUCEWRRSA-N 1 3 276.424 3.030 20 0 CGADHO COc1ccc([C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612718 813774460 /nfs/dbraw/zinc/77/44/60/813774460.db2.gz NIRREEZOKIXFTB-HUUCEWRRSA-N 1 3 276.424 3.030 20 0 CGADHO C[C@@H](C[N@H+](C)CCCN1CCCC1)OCc1ccccc1 ZINC001208700931 813804084 /nfs/dbraw/zinc/80/40/84/813804084.db2.gz PJJCICUOKLBHCP-KRWDZBQOSA-N 1 3 290.451 3.009 20 0 CGADHO C[C@@H](C[N@@H+](C)CCCN1CCCC1)OCc1ccccc1 ZINC001208700931 813804093 /nfs/dbraw/zinc/80/40/93/813804093.db2.gz PJJCICUOKLBHCP-KRWDZBQOSA-N 1 3 290.451 3.009 20 0 CGADHO CC/C=C\CC[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001208729522 813819814 /nfs/dbraw/zinc/81/98/14/813819814.db2.gz AGXPXXWBMKXHGJ-ARJAWSKDSA-N 1 3 268.420 3.241 20 0 CGADHO CN(C)CCC[N@H+](C)CCc1ccccc1C(F)(F)F ZINC001209279485 813991590 /nfs/dbraw/zinc/99/15/90/813991590.db2.gz FTAMPAWRBIEKNI-UHFFFAOYSA-N 1 3 288.357 3.131 20 0 CGADHO CN(C)CCC[N@@H+](C)CCc1ccccc1C(F)(F)F ZINC001209279485 813991591 /nfs/dbraw/zinc/99/15/91/813991591.db2.gz FTAMPAWRBIEKNI-UHFFFAOYSA-N 1 3 288.357 3.131 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434498 814035801 /nfs/dbraw/zinc/03/58/01/814035801.db2.gz YYBSQOJEAKQPAX-OWYHZJEWSA-N 1 3 284.447 3.096 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209434498 814035809 /nfs/dbraw/zinc/03/58/09/814035809.db2.gz YYBSQOJEAKQPAX-OWYHZJEWSA-N 1 3 284.447 3.096 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC001222141416 816358250 /nfs/dbraw/zinc/35/82/50/816358250.db2.gz KWCSWMPYDLTJDN-BBWFWOEESA-N 1 3 262.441 3.054 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC001222141416 816358254 /nfs/dbraw/zinc/35/82/54/816358254.db2.gz KWCSWMPYDLTJDN-BBWFWOEESA-N 1 3 262.441 3.054 20 0 CGADHO c1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c2c(c1)CCCC2 ZINC001222147889 816360011 /nfs/dbraw/zinc/36/00/11/816360011.db2.gz DPEAABMTOJAKBD-IBGZPJMESA-N 1 3 284.447 3.141 20 0 CGADHO c1ccc(CCCC[N@@H+]2CCC[C@]23CCCNC3)cc1 ZINC001222232921 816379486 /nfs/dbraw/zinc/37/94/86/816379486.db2.gz ZBEMINYAQYXEBE-SFHVURJKSA-N 1 3 272.436 3.227 20 0 CGADHO c1ccc(CCCC[N@H+]2CCC[C@]23CCCNC3)cc1 ZINC001222232921 816379493 /nfs/dbraw/zinc/37/94/93/816379493.db2.gz ZBEMINYAQYXEBE-SFHVURJKSA-N 1 3 272.436 3.227 20 0 CGADHO CCOc1cccc(CN2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222316825 816407324 /nfs/dbraw/zinc/40/73/24/816407324.db2.gz YYKKIMLYVDUGQA-SFHVURJKSA-N 1 3 288.435 3.193 20 0 CGADHO Clc1csc(CN2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001222457889 816450359 /nfs/dbraw/zinc/45/03/59/816450359.db2.gz WZEOZCMMDNWLJW-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO CCCCCCN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596100 816475074 /nfs/dbraw/zinc/47/50/74/816475074.db2.gz PWGQACMUUXUXRK-KRWDZBQOSA-N 1 3 272.436 3.256 20 0 CGADHO Cc1ccc(CN2CCC3(C[NH+](C)C3)CC2)cc1Cl ZINC001231423532 818096753 /nfs/dbraw/zinc/09/67/53/818096753.db2.gz CUOVRNOLKLFBNT-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO c1c2cnccc2[nH]c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001232019415 818234732 /nfs/dbraw/zinc/23/47/32/818234732.db2.gz ZPRAQQAQFGCSPE-UHFFFAOYSA-N 1 3 285.391 3.096 20 0 CGADHO c1c2cnccc2[nH]c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001232019415 818234737 /nfs/dbraw/zinc/23/47/37/818234737.db2.gz ZPRAQQAQFGCSPE-UHFFFAOYSA-N 1 3 285.391 3.096 20 0 CGADHO CC/C=C\CCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033103 818984524 /nfs/dbraw/zinc/98/45/24/818984524.db2.gz SYTZNTKTGJLCIY-QGZUEGPWSA-N 1 3 250.430 3.198 20 0 CGADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)o1 ZINC001235403611 819085908 /nfs/dbraw/zinc/08/59/08/819085908.db2.gz LJUFWLFFFDICGS-COXVUDFISA-N 1 3 294.414 3.105 20 0 CGADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)o1 ZINC001235403611 819085915 /nfs/dbraw/zinc/08/59/15/819085915.db2.gz LJUFWLFFFDICGS-COXVUDFISA-N 1 3 294.414 3.105 20 0 CGADHO Clc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC001235420739 819091643 /nfs/dbraw/zinc/09/16/43/819091643.db2.gz ANWFXLZHVOGWJI-STQMWFEESA-N 1 3 282.815 3.145 20 0 CGADHO Clc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC001235420734 819091733 /nfs/dbraw/zinc/09/17/33/819091733.db2.gz ANWFXLZHVOGWJI-OLZOCXBDSA-N 1 3 282.815 3.145 20 0 CGADHO COCC[C@@H]1CCCCN1CCC[NH2+]C1CCCCC1 ZINC001235687977 819141299 /nfs/dbraw/zinc/14/12/99/819141299.db2.gz LFBXDUNKHHCTQM-KRWDZBQOSA-N 1 3 282.472 3.190 20 0 CGADHO COc1ccc(CN(C)CCC2CC[NH2+]CC2)c(Cl)c1 ZINC001235717302 819149636 /nfs/dbraw/zinc/14/96/36/819149636.db2.gz QLAXXFKWJPEXPV-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO Cc1cccc(CN(C)CCC2CC[NH2+]CC2)c1Cl ZINC001235717732 819151377 /nfs/dbraw/zinc/15/13/77/819151377.db2.gz LHMVGJWUBZKZKK-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CC[N@H+](Cc1cc(C)c(C)cc1C)C1CCNCC1 ZINC001235760689 819162011 /nfs/dbraw/zinc/16/20/11/819162011.db2.gz HSHNIGRRJHJCKR-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO CC[N@@H+](Cc1cc(C)c(C)cc1C)C1CCNCC1 ZINC001235760689 819162012 /nfs/dbraw/zinc/16/20/12/819162012.db2.gz HSHNIGRRJHJCKR-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO CCN(Cc1cc(C)c(C)cc1C)C1CC[NH2+]CC1 ZINC001235760689 819162015 /nfs/dbraw/zinc/16/20/15/819162015.db2.gz HSHNIGRRJHJCKR-UHFFFAOYSA-N 1 3 260.425 3.186 20 0 CGADHO C[C@H](CN(C)C[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC001235842590 819183500 /nfs/dbraw/zinc/18/35/00/819183500.db2.gz PICWZZDDFNYUOA-HZPDHXFCSA-N 1 3 282.431 3.485 20 0 CGADHO Cc1ccc2ccccc2c1CN(C)C[C@@H]1CC[NH2+]C1 ZINC001235843205 819184434 /nfs/dbraw/zinc/18/44/34/819184434.db2.gz XPOHMOVJVUQSCU-OAHLLOKOSA-N 1 3 268.404 3.190 20 0 CGADHO CCCCCCOc1ccc(CN2CC(CC[NH3+])C2)cc1 ZINC001235919546 819220153 /nfs/dbraw/zinc/22/01/53/819220153.db2.gz ZINPWEHRJZCHSK-UHFFFAOYSA-N 1 3 290.451 3.426 20 0 CGADHO CN(C[C@H]1CCC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001235952057 819242205 /nfs/dbraw/zinc/24/22/05/819242205.db2.gz XMRNDSRAEASTSN-KRWDZBQOSA-N 1 3 286.463 3.430 20 0 CGADHO C[N@H+](CCCCCc1ccccc1)C[C@H]1CCCNC1 ZINC001235952502 819243295 /nfs/dbraw/zinc/24/32/95/819243295.db2.gz YHWANMRLSZHNRW-SFHVURJKSA-N 1 3 274.452 3.331 20 0 CGADHO C[N@@H+](CCCCCc1ccccc1)C[C@H]1CCCNC1 ZINC001235952502 819243298 /nfs/dbraw/zinc/24/32/98/819243298.db2.gz YHWANMRLSZHNRW-SFHVURJKSA-N 1 3 274.452 3.331 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CC2(C1)CCC[NH2+]CC2 ZINC001236004251 819269466 /nfs/dbraw/zinc/26/94/66/819269466.db2.gz DAJPSEXLFLIJRE-UHFFFAOYSA-N 1 3 276.399 3.018 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](N)C[C@H](C)C2)c2ccccc12 ZINC001236051325 819287129 /nfs/dbraw/zinc/28/71/29/819287129.db2.gz VXQGTOOKLNMGMK-XJKSGUPXSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](N)C[C@H](C)C2)c2ccccc12 ZINC001236051325 819287136 /nfs/dbraw/zinc/28/71/36/819287136.db2.gz VXQGTOOKLNMGMK-XJKSGUPXSA-N 1 3 268.404 3.317 20 0 CGADHO Fc1cccc(F)c1[C@@H]1CCCN1CCC1CC[NH2+]CC1 ZINC001236189275 819361976 /nfs/dbraw/zinc/36/19/76/819361976.db2.gz KHFDRWVQOYGZGS-INIZCTEOSA-N 1 3 294.389 3.491 20 0 CGADHO CC[NH+](CC)Cc1ccc(F)c(-c2ccnc(CN)c2)c1 ZINC001236326053 819427017 /nfs/dbraw/zinc/42/70/17/819427017.db2.gz QRBHXXLKBYFRRI-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CCN(CCCc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407513 819454417 /nfs/dbraw/zinc/45/44/17/819454417.db2.gz FFHWHQZXMSRTFY-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO CCN(Cc1ccccc1C(C)C)C[C@H]1CC[NH2+]C1 ZINC001236409487 819455654 /nfs/dbraw/zinc/45/56/54/819455654.db2.gz VGKCKJOQRDZELY-HNNXBMFYSA-N 1 3 260.425 3.241 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](C[C@@H]1C[C@H]1C)C1CCNCC1 ZINC001236518100 819510896 /nfs/dbraw/zinc/51/08/96/819510896.db2.gz PMRQVKUUMSYJPS-CJNGLKHVSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](C[C@@H]1C[C@H]1C)C1CCNCC1 ZINC001236518100 819510903 /nfs/dbraw/zinc/51/09/03/819510903.db2.gz PMRQVKUUMSYJPS-CJNGLKHVSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1CN(C[C@@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236518100 819510908 /nfs/dbraw/zinc/51/09/08/819510908.db2.gz PMRQVKUUMSYJPS-CJNGLKHVSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cccc(C[N@H+](C2CCC2)C2CCNCC2)c1C ZINC001236633813 819557394 /nfs/dbraw/zinc/55/73/94/819557394.db2.gz MJRLBEDIICUSDP-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO Cc1cccc(C[N@@H+](C2CCC2)C2CCNCC2)c1C ZINC001236633813 819557397 /nfs/dbraw/zinc/55/73/97/819557397.db2.gz MJRLBEDIICUSDP-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO CCCN(Cc1ccc(-n2cccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236842927 819618826 /nfs/dbraw/zinc/61/88/26/819618826.db2.gz HUBRHEPTIYLMHL-SFHVURJKSA-N 1 3 297.446 3.299 20 0 CGADHO CC(C)c1ccccc1CN1CCC[C@@](C)(C[NH3+])C1 ZINC001237081799 819661892 /nfs/dbraw/zinc/66/18/92/819661892.db2.gz MORJVZGZXMUDSF-KRWDZBQOSA-N 1 3 260.425 3.371 20 0 CGADHO CC(C)C1=NCCc2ccc(C[NH+]3CCCC3)cc21 ZINC001237880412 819868842 /nfs/dbraw/zinc/86/88/42/819868842.db2.gz FPVJQVFSKSXKMA-UHFFFAOYSA-N 1 3 256.393 3.284 20 0 CGADHO NCc1cccc(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC001240161363 820866445 /nfs/dbraw/zinc/86/64/45/820866445.db2.gz CPRHPGJBACFYDG-UHFFFAOYSA-N 1 3 281.403 3.193 20 0 CGADHO Fc1ccc(C=C2CC[NH2+]CC2)cc1CN1CCCC1 ZINC001240879458 821388230 /nfs/dbraw/zinc/38/82/30/821388230.db2.gz RNBCYTHWDVPJRC-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO CCN(CC)Cc1ccc(C=C2CC[NH2+]CC2)cc1F ZINC001240879285 821388653 /nfs/dbraw/zinc/38/86/53/821388653.db2.gz NUUACQMMIBSVHM-UHFFFAOYSA-N 1 3 276.399 3.434 20 0 CGADHO Cc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1N ZINC001240964891 821450644 /nfs/dbraw/zinc/45/06/44/821450644.db2.gz VZFXFVJHUZAIBW-UHFFFAOYSA-N 1 3 295.430 3.167 20 0 CGADHO Nc1ccnc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001241385775 821786309 /nfs/dbraw/zinc/78/63/09/821786309.db2.gz HJLQUJWCDOZNMZ-UHFFFAOYSA-N 1 3 267.376 3.317 20 0 CGADHO CN1CCC=C(c2ccccc2C[NH+]2CCCC2)C1 ZINC001241569876 821954535 /nfs/dbraw/zinc/95/45/35/821954535.db2.gz TYABDJMGCFBDOR-UHFFFAOYSA-N 1 3 256.393 3.001 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC001345483476 936812540 /nfs/dbraw/zinc/81/25/40/936812540.db2.gz SCOOTYFXWIYGPT-AGIUHOORSA-N 1 3 291.464 3.376 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC001349911895 936968414 /nfs/dbraw/zinc/96/84/14/936968414.db2.gz SCJKGLKRQDNKMB-ZFWWWQNUSA-N 1 3 288.439 3.052 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001561053572 937239288 /nfs/dbraw/zinc/23/92/88/937239288.db2.gz XFCUFCURQBZHOO-ZVDSWSACSA-N 1 3 252.446 3.131 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2ccc(F)c(F)c2)CCCC1 ZINC001461423140 937580439 /nfs/dbraw/zinc/58/04/39/937580439.db2.gz FZFAADUJZVNWJZ-UHFFFAOYSA-N 1 3 282.378 3.176 20 0 CGADHO CC[NH+]1CCC(CNCc2ncc(C(C)C)s2)CC1 ZINC001308253116 933081828 /nfs/dbraw/zinc/08/18/28/933081828.db2.gz FFMMDWAYBROKHU-UHFFFAOYSA-N 1 3 281.469 3.088 20 0 CGADHO CNc1ccc(C)cc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC001308689137 933158464 /nfs/dbraw/zinc/15/84/64/933158464.db2.gz LUCJRIUZUAZALK-UHFFFAOYSA-N 1 3 287.451 3.097 20 0 CGADHO CNc1ccc(C)cc1C[N@H+]1CCCC12CCN(C)CC2 ZINC001308689137 933158466 /nfs/dbraw/zinc/15/84/66/933158466.db2.gz LUCJRIUZUAZALK-UHFFFAOYSA-N 1 3 287.451 3.097 20 0 CGADHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)C[C@@H](C)C(C)(C)C ZINC001308741721 933168487 /nfs/dbraw/zinc/16/84/87/933168487.db2.gz XBDHAQAGWKFNCU-IAGOWNOFSA-N 1 3 297.531 3.017 20 0 CGADHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)C[C@@H](C)C(C)(C)C ZINC001308741721 933168490 /nfs/dbraw/zinc/16/84/90/933168490.db2.gz XBDHAQAGWKFNCU-IAGOWNOFSA-N 1 3 297.531 3.017 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001308966027 933214713 /nfs/dbraw/zinc/21/47/13/933214713.db2.gz LDXFOMVEDCRSAG-OIISXLGYSA-N 1 3 264.457 3.134 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2)C1 ZINC001320754620 934099162 /nfs/dbraw/zinc/09/91/62/934099162.db2.gz VOUILTDRGJPKJL-INIZCTEOSA-N 1 3 278.415 3.078 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC001324035256 934450987 /nfs/dbraw/zinc/45/09/87/934450987.db2.gz FHKLZKONCUKFOV-KDOFPFPSSA-N 1 3 288.435 3.091 20 0 CGADHO C[C@H]1CN(CCSC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001473759812 937821026 /nfs/dbraw/zinc/82/10/26/937821026.db2.gz POIABVXNJBLZPP-AWEZNQCLSA-N 1 3 293.480 3.124 20 0 CGADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC001474435363 937859549 /nfs/dbraw/zinc/85/95/49/937859549.db2.gz CZTDTXCIOFKCLL-WCXIOVBPSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)C1(CN2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001474658463 937873440 /nfs/dbraw/zinc/87/34/40/937873440.db2.gz MDUPXGFMGYCMLB-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CCC(C)(C)CO2)CC1 ZINC001474685032 937874920 /nfs/dbraw/zinc/87/49/20/937874920.db2.gz MCWXVFYBHAPVSR-KRWDZBQOSA-N 1 3 296.499 3.292 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc3occc32)C1 ZINC001553291425 938197914 /nfs/dbraw/zinc/19/79/14/938197914.db2.gz JBJBPTCYDMQNBM-CQSZACIVSA-N 1 3 272.392 3.301 20 0 CGADHO NCC1(C[NH2+]CCc2cc3ccccc3s2)CCC1 ZINC001580244125 960486126 /nfs/dbraw/zinc/48/61/26/960486126.db2.gz PTKSRPCGPSNGRY-UHFFFAOYSA-N 1 3 274.433 3.162 20 0 CGADHO CC(C)([NH3+])c1cc(CN2CCC3(CCCCC3)CC2)on1 ZINC001575365250 962369587 /nfs/dbraw/zinc/36/95/87/962369587.db2.gz HCKKYNYABQZHSR-UHFFFAOYSA-N 1 3 291.439 3.415 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC001575422213 962382379 /nfs/dbraw/zinc/38/23/79/962382379.db2.gz FWPMIJPVWSDCPT-IAGOWNOFSA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC001575422213 962382399 /nfs/dbraw/zinc/38/23/99/962382399.db2.gz FWPMIJPVWSDCPT-IAGOWNOFSA-N 1 3 275.440 3.230 20 0 CGADHO CC(C)[C@H](C[NH3+])CN1CCCCC[C@@H]1c1ccncc1 ZINC001575422213 962382414 /nfs/dbraw/zinc/38/24/14/962382414.db2.gz FWPMIJPVWSDCPT-IAGOWNOFSA-N 1 3 275.440 3.230 20 0 CGADHO C[C@@H]1CCCN(C[C@@]2(C)CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC001576705544 962485407 /nfs/dbraw/zinc/48/54/07/962485407.db2.gz UMXFKMMCUILNCK-GRYCIOLGSA-N 1 3 279.255 3.020 20 0 CGADHO CC(C)[C@@H](CN[C@@H]1C[NH2+]C[C@@H](C)C1)Cc1ccccc1 ZINC001576850316 962489708 /nfs/dbraw/zinc/48/97/08/962489708.db2.gz RYLPJNMDJFHDRN-JQHSSLGASA-N 1 3 274.452 3.089 20 0 CGADHO COc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001579216094 962614427 /nfs/dbraw/zinc/61/44/27/962614427.db2.gz CATUIIRJUYYNMW-HUUCEWRRSA-N 1 3 298.430 3.326 20 0 CGADHO Cc1ccc(CN[C@]2(C[NH3+])CCCC[C@@H]2C)c(C)c1 ZINC001579696875 962655914 /nfs/dbraw/zinc/65/59/14/962655914.db2.gz KNQPRDKSTAXIAN-RDJZCZTQSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1ccccc1-c1ccccc1C[NH2+]C[C@@H](C)N ZINC001579784787 962674158 /nfs/dbraw/zinc/67/41/58/962674158.db2.gz RELVAISXNUDWOV-CQSZACIVSA-N 1 3 254.377 3.099 20 0 CGADHO Clc1cccc(CC2(NC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001579938263 962679966 /nfs/dbraw/zinc/67/99/66/962679966.db2.gz DFZFUXMPPDTPKW-CQSZACIVSA-N 1 3 278.827 3.004 20 0 CGADHO Fc1cccc(CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC001580033155 962687637 /nfs/dbraw/zinc/68/76/37/962687637.db2.gz ABRHNXJIHVVSEG-AEFFLSMTSA-N 1 3 290.426 3.222 20 0 CGADHO c1nc2cc(CNCc3ccc4c(c3)C[NH2+]C4)ccc2s1 ZINC001580897042 962752152 /nfs/dbraw/zinc/75/21/52/962752152.db2.gz CAOKEJTYDJIIDC-UHFFFAOYSA-N 1 3 295.411 3.189 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000651741412 398279587 /nfs/dbraw/zinc/27/95/87/398279587.db2.gz JGRYUANGXCUZER-IAGOWNOFSA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000651741412 398279590 /nfs/dbraw/zinc/27/95/90/398279590.db2.gz JGRYUANGXCUZER-IAGOWNOFSA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741412 398279592 /nfs/dbraw/zinc/27/95/92/398279592.db2.gz JGRYUANGXCUZER-IAGOWNOFSA-N 1 3 298.515 3.395 20 0 CGADHO COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[C@H](C)N)cc1F ZINC000622045242 349623116 /nfs/dbraw/zinc/62/31/16/349623116.db2.gz JOMLHJQQFWHFRL-BJJXKVORSA-N 1 3 294.414 3.187 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H](C)CCc1ccco1 ZINC000651866002 398298683 /nfs/dbraw/zinc/29/86/83/398298683.db2.gz PYLKUKRGHPJHJY-HNNXBMFYSA-N 1 3 266.429 3.168 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)CCc1ccco1 ZINC000651866002 398298685 /nfs/dbraw/zinc/29/86/85/398298685.db2.gz PYLKUKRGHPJHJY-HNNXBMFYSA-N 1 3 266.429 3.168 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000651866002 398298686 /nfs/dbraw/zinc/29/86/86/398298686.db2.gz PYLKUKRGHPJHJY-HNNXBMFYSA-N 1 3 266.429 3.168 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425943894 529425227 /nfs/dbraw/zinc/42/52/27/529425227.db2.gz KTKCEZNFUTZLLA-DOTOQJQBSA-N 1 3 262.441 3.103 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000423480013 529453844 /nfs/dbraw/zinc/45/38/44/529453844.db2.gz VXZBTMJXLJXYQU-NEPJUHHUSA-N 1 3 260.356 3.367 20 0 CGADHO CCc1cccnc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414184655 529622616 /nfs/dbraw/zinc/62/26/16/529622616.db2.gz OBSAXFJNEPXOMC-CABCVRRESA-N 1 3 275.440 3.027 20 0 CGADHO CCc1cccnc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414184655 529622619 /nfs/dbraw/zinc/62/26/19/529622619.db2.gz OBSAXFJNEPXOMC-CABCVRRESA-N 1 3 275.440 3.027 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423406068 529671083 /nfs/dbraw/zinc/67/10/83/529671083.db2.gz YJAPWQOAVHZCCS-KKUMJFAQSA-N 1 3 250.361 3.136 20 0 CGADHO CCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623377091 349793598 /nfs/dbraw/zinc/79/35/98/349793598.db2.gz MKCAKFMYFWEDDD-OAHLLOKOSA-N 1 3 276.424 3.048 20 0 CGADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432818 349808888 /nfs/dbraw/zinc/80/88/88/349808888.db2.gz LNALJFCAERZONG-DZGCQCFKSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Oc1ccc(F)cc1 ZINC000623432818 349808890 /nfs/dbraw/zinc/80/88/90/349808890.db2.gz LNALJFCAERZONG-DZGCQCFKSA-N 1 3 294.414 3.055 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623491001 349819181 /nfs/dbraw/zinc/81/91/81/349819181.db2.gz AFDLSMCBQWHDON-DGCLKSJQSA-N 1 3 281.469 3.017 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623491001 349819183 /nfs/dbraw/zinc/81/91/83/349819183.db2.gz AFDLSMCBQWHDON-DGCLKSJQSA-N 1 3 281.469 3.017 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@H]2CCC[C@H]21 ZINC000367629379 529806740 /nfs/dbraw/zinc/80/67/40/529806740.db2.gz YDGQXYVEDYFUKL-NZSAHSFTSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@H]2CCC[C@H]21 ZINC000367629379 529806741 /nfs/dbraw/zinc/80/67/41/529806741.db2.gz YDGQXYVEDYFUKL-NZSAHSFTSA-N 1 3 295.430 3.197 20 0 CGADHO CO[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573520 349839336 /nfs/dbraw/zinc/83/93/36/349839336.db2.gz LSAIJGBJLMCUTE-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573520 349839339 /nfs/dbraw/zinc/83/93/39/349839339.db2.gz LSAIJGBJLMCUTE-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1ccc(SCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000351493164 219103886 /nfs/dbraw/zinc/10/38/86/219103886.db2.gz MDYHIFNUQOCAGT-UAGQMJEPSA-N 1 3 290.476 3.065 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000623879796 349904062 /nfs/dbraw/zinc/90/40/62/349904062.db2.gz OJFGDIIVIJTTKT-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000623879796 349904066 /nfs/dbraw/zinc/90/40/66/349904066.db2.gz OJFGDIIVIJTTKT-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO CC[NH+](CC)CC1CCN(CCOc2ccccc2)CC1 ZINC000047978591 345058146 /nfs/dbraw/zinc/05/81/46/345058146.db2.gz SYLOAXDEVJPZRZ-UHFFFAOYSA-N 1 3 290.451 3.119 20 0 CGADHO CCc1ccc(C[NH2+]CCCN2CCCCC2)s1 ZINC000051717268 345092583 /nfs/dbraw/zinc/09/25/83/345092583.db2.gz GIJWCVDZXWRIMT-UHFFFAOYSA-N 1 3 266.454 3.276 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000089559954 345771069 /nfs/dbraw/zinc/77/10/69/345771069.db2.gz ISHIEJHSLJROFE-MRXNPFEDSA-N 1 3 252.446 3.277 20 0 CGADHO C1=CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000090036248 345778773 /nfs/dbraw/zinc/77/87/73/345778773.db2.gz QCNDGXBXPRNRPE-HNNXBMFYSA-N 1 3 262.441 3.482 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CN1CCCC1 ZINC000163421916 232256543 /nfs/dbraw/zinc/25/65/43/232256543.db2.gz YWLTXXZOLHCCJH-OLZOCXBDSA-N 1 3 280.378 3.429 20 0 CGADHO Cc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000112120278 345953286 /nfs/dbraw/zinc/95/32/86/345953286.db2.gz IGKVXSLGFITQQT-UHFFFAOYSA-N 1 3 281.403 3.021 20 0 CGADHO Oc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000107800800 345935285 /nfs/dbraw/zinc/93/52/85/345935285.db2.gz ZSJWEKHMLINZTN-UHFFFAOYSA-N 1 3 296.414 3.278 20 0 CGADHO CCC[C@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000125340055 346016791 /nfs/dbraw/zinc/01/67/91/346016791.db2.gz NRWNRLUZPDFWLR-XHSDSOJGSA-N 1 3 270.461 3.044 20 0 CGADHO CCN1CC[C@H](C[NH2+]CCc2ccc(C(C)C)cc2)C1 ZINC000127377455 346031131 /nfs/dbraw/zinc/03/11/31/346031131.db2.gz WTJQDOQONNDRQG-QGZVFWFLSA-N 1 3 274.452 3.284 20 0 CGADHO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)C1CCN(C)CC1 ZINC000624104480 349970433 /nfs/dbraw/zinc/97/04/33/349970433.db2.gz UUCGFTBJMSXJAK-KSSFIOAISA-N 1 3 287.451 3.243 20 0 CGADHO CCCc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000594784341 347216607 /nfs/dbraw/zinc/21/66/07/347216607.db2.gz FJCFSFGIGFRIKF-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO CCCc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000594784341 347216611 /nfs/dbraw/zinc/21/66/11/347216611.db2.gz FJCFSFGIGFRIKF-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO CCSC1(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000596652883 347498384 /nfs/dbraw/zinc/49/83/84/347498384.db2.gz QFRBVSLMPHRNAU-UONOGXRCSA-N 1 3 262.422 3.007 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120474 349976873 /nfs/dbraw/zinc/97/68/73/349976873.db2.gz ZYGPQFPGDXDGKX-ROUUACIJSA-N 1 3 274.452 3.329 20 0 CGADHO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)s1 ZINC000624121233 349978668 /nfs/dbraw/zinc/97/86/68/349978668.db2.gz QPPGBFXBJJTYLV-FZMZJTMJSA-N 1 3 281.469 3.142 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120839 349978492 /nfs/dbraw/zinc/97/84/92/349978492.db2.gz ICPCGCTWZYLJJO-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000624123676 349983214 /nfs/dbraw/zinc/98/32/14/349983214.db2.gz QGVYCONKEWBGDA-BZUAXINKSA-N 1 3 270.436 3.226 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(C)CC3)CC2)C1 ZINC000358176340 233071796 /nfs/dbraw/zinc/07/17/96/233071796.db2.gz OFKXPUKHFSCNKE-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO c1cc2cc(CN3CCC(C[NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000628133765 350405705 /nfs/dbraw/zinc/40/57/05/350405705.db2.gz PMWCYGXSHIJJTP-UHFFFAOYSA-N 1 3 297.446 3.476 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000628183131 350427445 /nfs/dbraw/zinc/42/74/45/350427445.db2.gz RONCNSXGLCOIRE-KBXCAEBGSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3[nH]ccc3c2)[C@@H](C)C1 ZINC000628183131 350427446 /nfs/dbraw/zinc/42/74/46/350427446.db2.gz RONCNSXGLCOIRE-KBXCAEBGSA-N 1 3 285.435 3.330 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628229735 350451287 /nfs/dbraw/zinc/45/12/87/350451287.db2.gz GUOCFZSYPZNLQU-CVEARBPZSA-N 1 3 284.513 3.230 20 0 CGADHO Cc1ccncc1[C@@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000271380809 191108612 /nfs/dbraw/zinc/10/86/12/191108612.db2.gz IGTINHSOUAFXSI-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000629527865 350703417 /nfs/dbraw/zinc/70/34/17/350703417.db2.gz IAGCEMYYQWYNCB-ZNMIVQPWSA-N 1 3 250.430 3.220 20 0 CGADHO [NH3+]CCCOCCN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000629537858 350705749 /nfs/dbraw/zinc/70/57/49/350705749.db2.gz LBBYRHYTCXNPAY-INIZCTEOSA-N 1 3 296.842 3.063 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550059 350711112 /nfs/dbraw/zinc/71/11/12/350711112.db2.gz XIPBXPLQSTWCBO-KKUMJFAQSA-N 1 3 264.800 3.187 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1CC(F)(F)F ZINC000629554703 350712075 /nfs/dbraw/zinc/71/20/75/350712075.db2.gz OBESNXHHTGZFPY-GHMZBOCLSA-N 1 3 274.330 3.007 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556581 350713038 /nfs/dbraw/zinc/71/30/38/350713038.db2.gz TVZLAMPIGHWJLS-GHMZBOCLSA-N 1 3 279.815 3.079 20 0 CGADHO [NH3+]C[C@@H]1CN(CC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629560141 350714016 /nfs/dbraw/zinc/71/40/16/350714016.db2.gz DFLXKBRWLIWWTM-OLZOCXBDSA-N 1 3 278.362 3.026 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000629587217 350714715 /nfs/dbraw/zinc/71/47/15/350714715.db2.gz ZHMUUZIKAGYHKU-INIZCTEOSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000629587217 350714719 /nfs/dbraw/zinc/71/47/19/350714719.db2.gz ZHMUUZIKAGYHKU-INIZCTEOSA-N 1 3 288.435 3.004 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000629518407 350700467 /nfs/dbraw/zinc/70/04/67/350700467.db2.gz IWZYSOJWYUERPZ-GVDBMIGSSA-N 1 3 287.451 3.073 20 0 CGADHO CC(C)Cc1cccc([C@H](C)[NH2+]CC2(N)CCOCC2)c1 ZINC000629520031 350700592 /nfs/dbraw/zinc/70/05/92/350700592.db2.gz JXRKLDXQWMVHKS-HNNXBMFYSA-N 1 3 290.451 3.044 20 0 CGADHO CC(C)(N)C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629671086 350733930 /nfs/dbraw/zinc/73/39/30/350733930.db2.gz XKLJYTTUEHWNLR-ZDUSSCGKSA-N 1 3 252.789 3.044 20 0 CGADHO NCc1cnc(-c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000629697304 350741394 /nfs/dbraw/zinc/74/13/94/350741394.db2.gz ZSPYJZWFQDCFIX-UHFFFAOYSA-N 1 3 287.432 3.255 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccccc1CC(F)(F)F)CN(C)C ZINC000631141046 350967339 /nfs/dbraw/zinc/96/73/39/350967339.db2.gz VPSQSRMYBJWRIP-LBPRGKRZSA-N 1 3 288.357 3.079 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@@H]2CCC[C@@H]21 ZINC000631685069 351119231 /nfs/dbraw/zinc/11/92/31/351119231.db2.gz WTRGNYRILODCSR-LNLFQRSKSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3cccnc3c2)[C@@H]2CCC[C@@H]21 ZINC000631685069 351119232 /nfs/dbraw/zinc/11/92/32/351119232.db2.gz WTRGNYRILODCSR-LNLFQRSKSA-N 1 3 295.430 3.197 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCc2ncccc21)CN1CCCCC1 ZINC000631570084 351070820 /nfs/dbraw/zinc/07/08/20/351070820.db2.gz PUMJITFIKWADJI-MAUKXSAKSA-N 1 3 287.451 3.171 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)CCN(C)C)c1cccc(OC)c1OC ZINC000631575487 351073336 /nfs/dbraw/zinc/07/33/36/351073336.db2.gz GEFYRKMFJBVANI-ZFWWWQNUSA-N 1 3 294.439 3.085 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCc2ncccc21)C(C)(C)C ZINC000631579920 351076046 /nfs/dbraw/zinc/07/60/46/351076046.db2.gz CQFRQSKQYVQCKL-IAGOWNOFSA-N 1 3 289.467 3.415 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)CN(C)C ZINC000631632296 351098171 /nfs/dbraw/zinc/09/81/71/351098171.db2.gz OVYPEWCVNFNKAI-CABCVRRESA-N 1 3 287.451 3.276 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNCC(C)(C)C1)c1ccc(F)cc1 ZINC000634733946 351579759 /nfs/dbraw/zinc/57/97/59/351579759.db2.gz SIKSXXQUDHFPPA-CJNGLKHVSA-N 1 3 278.415 3.297 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000634734190 351579873 /nfs/dbraw/zinc/57/98/73/351579873.db2.gz ZEDXYFPPBLNTSN-INIZCTEOSA-N 1 3 290.451 3.213 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC[C@@H]2CNc3ccccc32)c2ccccc21 ZINC000635004091 351622820 /nfs/dbraw/zinc/62/28/20/351622820.db2.gz CZXNAIVKJNDHRZ-OMWUSAIZSA-N 1 3 293.414 3.320 20 0 CGADHO COc1cccc([C@@H](C)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000635007366 351625411 /nfs/dbraw/zinc/62/54/11/351625411.db2.gz WDTSLSCWHSHORQ-CRAIPNDOSA-N 1 3 298.430 3.306 20 0 CGADHO Fc1ccc2c(c1)[C@@H](NCc1cccc3c1CC[NH2+]C3)CC2 ZINC000635012502 351630962 /nfs/dbraw/zinc/63/09/62/351630962.db2.gz VIZJLGCORHVCEX-IBGZPJMESA-N 1 3 296.389 3.249 20 0 CGADHO Cc1ccccc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000339846708 215363554 /nfs/dbraw/zinc/36/35/54/215363554.db2.gz RWHJIQVZPJDBNC-SFHVURJKSA-N 1 3 272.436 3.159 20 0 CGADHO Cc1ccccc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000339846708 215363556 /nfs/dbraw/zinc/36/35/56/215363556.db2.gz RWHJIQVZPJDBNC-SFHVURJKSA-N 1 3 272.436 3.159 20 0 CGADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(CO)c1 ZINC000121860953 187001045 /nfs/dbraw/zinc/00/10/45/187001045.db2.gz QYHWPWUIAGONSN-WMLDXEAASA-N 1 3 292.467 3.196 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000122782708 187051121 /nfs/dbraw/zinc/05/11/21/187051121.db2.gz CKADZIAHNRZWTG-NUJGCVRESA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2cccc(C)c2)[C@H](C)C1 ZINC000122782708 187051122 /nfs/dbraw/zinc/05/11/22/187051122.db2.gz CKADZIAHNRZWTG-NUJGCVRESA-N 1 3 290.451 3.082 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613444 234232536 /nfs/dbraw/zinc/23/25/36/234232536.db2.gz COOYERNALZIKMO-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613444 234232537 /nfs/dbraw/zinc/23/25/37/234232537.db2.gz COOYERNALZIKMO-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367613444 234232542 /nfs/dbraw/zinc/23/25/42/234232542.db2.gz COOYERNALZIKMO-KFWWJZLASA-N 1 3 264.438 3.019 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158500873 188378890 /nfs/dbraw/zinc/37/88/90/188378890.db2.gz WDPKRDACPDKNDM-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158500873 188378891 /nfs/dbraw/zinc/37/88/91/188378891.db2.gz WDPKRDACPDKNDM-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158500873 188378893 /nfs/dbraw/zinc/37/88/93/188378893.db2.gz WDPKRDACPDKNDM-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158500873 188378894 /nfs/dbraw/zinc/37/88/94/188378894.db2.gz WDPKRDACPDKNDM-WMZOPIPTSA-N 1 3 295.430 3.151 20 0 CGADHO Fc1ccccc1[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000423096027 283030397 /nfs/dbraw/zinc/03/03/97/283030397.db2.gz NTAUSVPSWFPNKP-QLFBSQMISA-N 1 3 276.399 3.194 20 0 CGADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CCSCC1 ZINC000411175331 235035376 /nfs/dbraw/zinc/03/53/76/235035376.db2.gz QKEPESUUFJBYPT-UHFFFAOYSA-N 1 3 290.476 3.221 20 0 CGADHO CC(C)C[C@H](NCC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000271874996 191382685 /nfs/dbraw/zinc/38/26/85/191382685.db2.gz NSCGFSPVWVDDTC-KRWDZBQOSA-N 1 3 273.424 3.020 20 0 CGADHO CC(C)C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccccn1 ZINC000271874996 191382688 /nfs/dbraw/zinc/38/26/88/191382688.db2.gz NSCGFSPVWVDDTC-KRWDZBQOSA-N 1 3 273.424 3.020 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271858673 191371867 /nfs/dbraw/zinc/37/18/67/191371867.db2.gz JWRSENZVPFUWHB-CYBMUJFWSA-N 1 3 278.827 3.123 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000414189109 235359005 /nfs/dbraw/zinc/35/90/05/235359005.db2.gz RAGHRNAACSLJIT-ZIAGYGMSSA-N 1 3 294.414 3.217 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189109 235359007 /nfs/dbraw/zinc/35/90/07/235359007.db2.gz RAGHRNAACSLJIT-ZIAGYGMSSA-N 1 3 294.414 3.217 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000414189102 235359335 /nfs/dbraw/zinc/35/93/35/235359335.db2.gz RAGHRNAACSLJIT-KGLIPLIRSA-N 1 3 294.414 3.217 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000414189102 235359336 /nfs/dbraw/zinc/35/93/36/235359336.db2.gz RAGHRNAACSLJIT-KGLIPLIRSA-N 1 3 294.414 3.217 20 0 CGADHO CCOc1ccccc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414194237 235360963 /nfs/dbraw/zinc/36/09/63/235360963.db2.gz UNPQVBQVPWEJFR-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCOc1ccccc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194237 235360966 /nfs/dbraw/zinc/36/09/66/235360966.db2.gz UNPQVBQVPWEJFR-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000414824675 235474543 /nfs/dbraw/zinc/47/45/43/235474543.db2.gz RGLJSLLDLBSEPE-XJNFMUPTSA-N 1 3 260.425 3.286 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000415088416 235528234 /nfs/dbraw/zinc/52/82/34/235528234.db2.gz XKIHJXMOULZPAO-CEXWTWQISA-N 1 3 286.463 3.377 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccsc1 ZINC000093516041 138347444 /nfs/dbraw/zinc/34/74/44/138347444.db2.gz LERXAZMVZSSZCO-HIFRSBDPSA-N 1 3 266.454 3.191 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC000106410108 138354213 /nfs/dbraw/zinc/35/42/13/138354213.db2.gz ARWDMTYILSNWLF-UHFFFAOYSA-N 1 3 278.415 3.488 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423296041 236028430 /nfs/dbraw/zinc/02/84/30/236028430.db2.gz GBVZFCFNAYZARX-IAQYHMDHSA-N 1 3 266.816 3.292 20 0 CGADHO Cc1nc(-c2cc([C@H](C)NC[C@H](C)C[NH3+])cs2)cs1 ZINC000423295825 236028608 /nfs/dbraw/zinc/02/86/08/236028608.db2.gz FVCJXZPFNSCPGQ-ZJUUUORDSA-N 1 3 295.477 3.425 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423274358 236017727 /nfs/dbraw/zinc/01/77/27/236017727.db2.gz KDVOYPKGKANIDQ-PBFPGSCMSA-N 1 3 296.405 3.393 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423321110 236037539 /nfs/dbraw/zinc/03/75/39/236037539.db2.gz MSEHPZCPGDPIHJ-HIFRSBDPSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CC[C@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423321110 236037542 /nfs/dbraw/zinc/03/75/42/236037542.db2.gz MSEHPZCPGDPIHJ-HIFRSBDPSA-N 1 3 298.352 3.151 20 0 CGADHO Clc1ccc([C@@H](CC2CC2)NC[C@H]2CC[NH2+]C2)cc1 ZINC000423327200 236040036 /nfs/dbraw/zinc/04/00/36/236040036.db2.gz DAYBKDVJJLQCPK-XJKSGUPXSA-N 1 3 278.827 3.380 20 0 CGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(CO)c1 ZINC000423495366 236085973 /nfs/dbraw/zinc/08/59/73/236085973.db2.gz CAPLSMLIJLDKSC-DNVCBOLYSA-N 1 3 298.430 3.310 20 0 CGADHO FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423398263 236063737 /nfs/dbraw/zinc/06/37/37/236063737.db2.gz UGRUBIFXUJLXAW-WMLDXEAASA-N 1 3 276.399 3.298 20 0 CGADHO Cc1cc(C)c([C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1C ZINC000423408924 236066387 /nfs/dbraw/zinc/06/63/87/236066387.db2.gz YECZPOCOTAEOHE-YQQAZPJKSA-N 1 3 260.425 3.260 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1C ZINC000423408924 236066389 /nfs/dbraw/zinc/06/63/89/236066389.db2.gz YECZPOCOTAEOHE-YQQAZPJKSA-N 1 3 260.425 3.260 20 0 CGADHO COC[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423490370 236085440 /nfs/dbraw/zinc/08/54/40/236085440.db2.gz XOKOWDSRGIVDQY-JKSUJKDBSA-N 1 3 296.842 3.149 20 0 CGADHO Cc1cc(F)c(CNC2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC000424152700 236125695 /nfs/dbraw/zinc/12/56/95/236125695.db2.gz HIFCPDBPJVHPOJ-UHFFFAOYSA-N 1 3 296.405 3.483 20 0 CGADHO CSc1ccccc1C[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424364162 236157262 /nfs/dbraw/zinc/15/72/62/236157262.db2.gz CYFXXSZNXJGGBZ-BPLDGKMQSA-N 1 3 278.465 3.199 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[C@H]2C2CCC2)c2ccccc21 ZINC000424387942 236158991 /nfs/dbraw/zinc/15/89/91/236158991.db2.gz YYWYICODOGMWGR-KKBVYLPWSA-N 1 3 256.393 3.157 20 0 CGADHO C[C@H]1CC2(CN1Cc1sccc1Cl)CC[NH2+]CC2 ZINC000424301609 236144185 /nfs/dbraw/zinc/14/41/85/236144185.db2.gz XTZJTIZLSIROLK-NSHDSACASA-N 1 3 284.856 3.366 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000294553540 199083289 /nfs/dbraw/zinc/08/32/89/199083289.db2.gz FKIGQPYHZRYRED-OAHLLOKOSA-N 1 3 290.451 3.035 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CCCc1ccccc1)C1CNC1 ZINC000422983577 299276505 /nfs/dbraw/zinc/27/65/05/299276505.db2.gz UCXLSXIHVCBBDA-HNNXBMFYSA-N 1 3 274.452 3.233 20 0 CGADHO C[C@@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875002 199226216 /nfs/dbraw/zinc/22/62/16/199226216.db2.gz QJZLFLRBIRQLPB-UONOGXRCSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000294875002 199226218 /nfs/dbraw/zinc/22/62/18/199226218.db2.gz QJZLFLRBIRQLPB-UONOGXRCSA-N 1 3 296.405 3.342 20 0 CGADHO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)[C@@H]1COc2ccccc21 ZINC000348776348 299300940 /nfs/dbraw/zinc/30/09/40/299300940.db2.gz PXYLSNBUASKQIP-UXLLHSPISA-N 1 3 288.435 3.015 20 0 CGADHO C[C@H](NCC[C@H]1CCCC[N@H+]1C)[C@@H]1COc2ccccc21 ZINC000348776348 299300943 /nfs/dbraw/zinc/30/09/43/299300943.db2.gz PXYLSNBUASKQIP-UXLLHSPISA-N 1 3 288.435 3.015 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000423047646 283503226 /nfs/dbraw/zinc/50/32/26/283503226.db2.gz HKNKMFYPBXMFMV-CVEARBPZSA-N 1 3 250.430 3.374 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C1(c2ccccc2)CCCC1 ZINC000423204787 299319100 /nfs/dbraw/zinc/31/91/00/299319100.db2.gz DVOVRUBUCACCKW-IRXDYDNUSA-N 1 3 286.463 3.476 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173922 189290045 /nfs/dbraw/zinc/29/00/45/189290045.db2.gz NYEXTTMYZKYNOU-GUTXKFCHSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173922 189290046 /nfs/dbraw/zinc/29/00/46/189290046.db2.gz NYEXTTMYZKYNOU-GUTXKFCHSA-N 1 3 296.842 3.180 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449379339 239366536 /nfs/dbraw/zinc/36/65/36/239366536.db2.gz SVXWXDDRCRCBPJ-KZNAEPCWSA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449379339 239366540 /nfs/dbraw/zinc/36/65/40/239366540.db2.gz SVXWXDDRCRCBPJ-KZNAEPCWSA-N 1 3 284.447 3.323 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2ccccc2n1 ZINC000423277240 299366961 /nfs/dbraw/zinc/36/69/61/299366961.db2.gz OBIBBDOMPIWTEQ-JCKWVBRZSA-N 1 3 283.419 3.403 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000343436588 294333217 /nfs/dbraw/zinc/33/32/17/294333217.db2.gz BYEDBKLNBQYMCQ-DLTWYDFYSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000343436588 294333224 /nfs/dbraw/zinc/33/32/24/294333224.db2.gz BYEDBKLNBQYMCQ-DLTWYDFYSA-N 1 3 282.472 3.043 20 0 CGADHO CC(C)(C[NH2+]C1CCCCCC1)CN1CCCC1 ZINC000477919924 243060862 /nfs/dbraw/zinc/06/08/62/243060862.db2.gz RWMPWFSGKTWEBL-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000479566440 243112227 /nfs/dbraw/zinc/11/22/27/243112227.db2.gz CJEMQUNJRXHDTD-HYVNUMGLSA-N 1 3 264.457 3.300 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000481331010 243187488 /nfs/dbraw/zinc/18/74/88/243187488.db2.gz HBRNEAUDQBPLSU-CABCVRRESA-N 1 3 278.415 3.435 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccccn1 ZINC000019914979 368783150 /nfs/dbraw/zinc/78/31/50/368783150.db2.gz KOOGQGQKMCLURA-LSDHHAIUSA-N 1 3 263.429 3.243 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000019943372 368787591 /nfs/dbraw/zinc/78/75/91/368787591.db2.gz VAUYUPSGONPVEX-KRWDZBQOSA-N 1 3 260.425 3.386 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000019943325 368788028 /nfs/dbraw/zinc/78/80/28/368788028.db2.gz PZRNPWRFRJAYCI-SFHVURJKSA-N 1 3 290.451 3.394 20 0 CGADHO Cc1ccccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000034958908 368983058 /nfs/dbraw/zinc/98/30/58/368983058.db2.gz YHHWHCDHNCEDAZ-HNSVSWJLSA-N 1 3 258.409 3.271 20 0 CGADHO Cc1ccccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000034958908 368983059 /nfs/dbraw/zinc/98/30/59/368983059.db2.gz YHHWHCDHNCEDAZ-HNSVSWJLSA-N 1 3 258.409 3.271 20 0 CGADHO [NH3+]C[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000036457445 369022486 /nfs/dbraw/zinc/02/24/86/369022486.db2.gz MDSZZENOSKADCH-HNNXBMFYSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908181 369036619 /nfs/dbraw/zinc/03/66/19/369036619.db2.gz IXDJTMHCCFPVMH-YRGRVCCFSA-N 1 3 298.377 3.106 20 0 CGADHO CC(C)CC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037374233 369083690 /nfs/dbraw/zinc/08/36/90/369083690.db2.gz IMUGCCXBKYPZTD-OAHLLOKOSA-N 1 3 275.440 3.465 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(F)cc1 ZINC000037644103 369093698 /nfs/dbraw/zinc/09/36/98/369093698.db2.gz XVLZMUZKQNEORO-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(F)cc1 ZINC000037644103 369093699 /nfs/dbraw/zinc/09/36/99/369093699.db2.gz XVLZMUZKQNEORO-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(F)cc1 ZINC000037644103 369093702 /nfs/dbraw/zinc/09/37/02/369093702.db2.gz XVLZMUZKQNEORO-BBRMVZONSA-N 1 3 264.388 3.208 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(c3ccccc3C)C2)C1 ZINC000037644387 369095762 /nfs/dbraw/zinc/09/57/62/369095762.db2.gz STHVYVSDQGZBRY-KLAILNCOSA-N 1 3 272.436 3.172 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC000037786334 369113100 /nfs/dbraw/zinc/11/31/00/369113100.db2.gz MKZDGBXNIIVFSU-UHFFFAOYSA-N 1 3 260.425 3.082 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCc2ccccc2)CC1 ZINC000037786334 369113103 /nfs/dbraw/zinc/11/31/03/369113103.db2.gz MKZDGBXNIIVFSU-UHFFFAOYSA-N 1 3 260.425 3.082 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cncc(F)c2)C1 ZINC000494611198 244304675 /nfs/dbraw/zinc/30/46/75/244304675.db2.gz AUFPQZSGSJEUNI-HUUCEWRRSA-N 1 3 293.430 3.068 20 0 CGADHO C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CCN2C1 ZINC000128112076 370959270 /nfs/dbraw/zinc/95/92/70/370959270.db2.gz CCDYGIJDJUPNKJ-GVDBMIGSSA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000128112076 370959278 /nfs/dbraw/zinc/95/92/78/370959278.db2.gz CCDYGIJDJUPNKJ-GVDBMIGSSA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000128112076 370959284 /nfs/dbraw/zinc/95/92/84/370959284.db2.gz CCDYGIJDJUPNKJ-GVDBMIGSSA-N 1 3 292.467 3.085 20 0 CGADHO Fc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000129003992 370970254 /nfs/dbraw/zinc/97/02/54/370970254.db2.gz NPPFJKJICYEAAC-GFCCVEGCSA-N 1 3 282.790 3.053 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccncc2)c1 ZINC000065976584 369686746 /nfs/dbraw/zinc/68/67/46/369686746.db2.gz FCQWRWRKMOSTEP-UHFFFAOYSA-N 1 3 283.419 3.212 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccncc2)c1 ZINC000065976584 369686768 /nfs/dbraw/zinc/68/67/68/369686768.db2.gz FCQWRWRKMOSTEP-UHFFFAOYSA-N 1 3 283.419 3.212 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1csc(Cl)c1 ZINC000276480749 193349210 /nfs/dbraw/zinc/34/92/10/193349210.db2.gz GCHUZXKOAQKZMH-JTQLQIEISA-N 1 3 270.829 3.314 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1csc(Cl)c1 ZINC000276480749 193349211 /nfs/dbraw/zinc/34/92/11/193349211.db2.gz GCHUZXKOAQKZMH-JTQLQIEISA-N 1 3 270.829 3.314 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000070171871 369786744 /nfs/dbraw/zinc/78/67/44/369786744.db2.gz RHOAZGPWTACJCW-KBXCAEBGSA-N 1 3 268.404 3.399 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816376 370029251 /nfs/dbraw/zinc/02/92/51/370029251.db2.gz YOICTPGEHVXNRC-CXAGYDPISA-N 1 3 285.435 3.475 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000090720585 370065283 /nfs/dbraw/zinc/06/52/83/370065283.db2.gz LODRILPDMIEKSC-NVXWUHKLSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000090720585 370065286 /nfs/dbraw/zinc/06/52/86/370065286.db2.gz LODRILPDMIEKSC-NVXWUHKLSA-N 1 3 260.425 3.184 20 0 CGADHO CC[C@@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000093078826 370106816 /nfs/dbraw/zinc/10/68/16/370106816.db2.gz GTUGNECIKBZIPN-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000093078828 370107061 /nfs/dbraw/zinc/10/70/61/370107061.db2.gz GTUGNECIKBZIPN-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC(O)(CCC)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000513221050 245070685 /nfs/dbraw/zinc/07/06/85/245070685.db2.gz BEDFOJWKMIZCKD-UHFFFAOYSA-N 1 3 284.488 3.170 20 0 CGADHO CO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000513332297 245073817 /nfs/dbraw/zinc/07/38/17/245073817.db2.gz ZFSVEKYVZDMAMF-SJORKVTESA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000513332297 245073823 /nfs/dbraw/zinc/07/38/23/245073823.db2.gz ZFSVEKYVZDMAMF-SJORKVTESA-N 1 3 294.483 3.187 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000119064098 370640773 /nfs/dbraw/zinc/64/07/73/370640773.db2.gz UDFGIFQVWRAGHZ-INIZCTEOSA-N 1 3 294.414 3.011 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000119064098 370640775 /nfs/dbraw/zinc/64/07/75/370640775.db2.gz UDFGIFQVWRAGHZ-INIZCTEOSA-N 1 3 294.414 3.011 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102900 371568093 /nfs/dbraw/zinc/56/80/93/371568093.db2.gz PIWOBGAXGYRJTD-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102900 371568098 /nfs/dbraw/zinc/56/80/98/371568098.db2.gz PIWOBGAXGYRJTD-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102900 371568105 /nfs/dbraw/zinc/56/81/05/371568105.db2.gz PIWOBGAXGYRJTD-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cccc(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000422565746 371751312 /nfs/dbraw/zinc/75/13/12/371751312.db2.gz ZYUHKNMVWXTUHT-BZPMIXESSA-N 1 3 298.377 3.093 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)c2ccccc21 ZINC000422696790 371757506 /nfs/dbraw/zinc/75/75/06/371757506.db2.gz SLJPDAZSIRIBII-IRXDYDNUSA-N 1 3 288.341 3.242 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422700191 371757623 /nfs/dbraw/zinc/75/76/23/371757623.db2.gz BQNYJBVRPKNBBM-RYUDHWBXSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCCc1cccc(C(F)(F)F)c1 ZINC000422700191 371757628 /nfs/dbraw/zinc/75/76/28/371757628.db2.gz BQNYJBVRPKNBBM-RYUDHWBXSA-N 1 3 288.357 3.353 20 0 CGADHO [NH3+]C1CCC(N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000422703440 371758730 /nfs/dbraw/zinc/75/87/30/371758730.db2.gz HTUMYFSKUYAXOE-LEOMRAHMSA-N 1 3 299.393 3.170 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc2ccccc2c1 ZINC000422704655 371760143 /nfs/dbraw/zinc/76/01/43/371760143.db2.gz QDYJBASMNNBCFB-KSSFIOAISA-N 1 3 268.404 3.318 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000422707386 371761164 /nfs/dbraw/zinc/76/11/64/371761164.db2.gz WNQDDSSBRRWRFA-YDHLFZDLSA-N 1 3 275.440 3.326 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])c(C)c1 ZINC000422708428 371761394 /nfs/dbraw/zinc/76/13/94/371761394.db2.gz XNJOELMOZJKAJV-IAGOWNOFSA-N 1 3 260.425 3.096 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](CC(F)(F)F)c1ccccc1 ZINC000422709641 371763537 /nfs/dbraw/zinc/76/35/37/371763537.db2.gz KYHDMIZQNICKAV-DGCLKSJQSA-N 1 3 274.330 3.397 20 0 CGADHO Fc1ccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000422712952 371763805 /nfs/dbraw/zinc/76/38/05/371763805.db2.gz JCQRGAQVYHTDHF-IAGOWNOFSA-N 1 3 276.399 3.399 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(Cl)cc1Cl ZINC000422725523 371769769 /nfs/dbraw/zinc/76/97/69/371769769.db2.gz BPSHNXKBMIYCBT-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725523 371769779 /nfs/dbraw/zinc/76/97/79/371769779.db2.gz BPSHNXKBMIYCBT-NXEZZACHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422727056 371770025 /nfs/dbraw/zinc/77/00/25/371770025.db2.gz BKGAWQKXIGKWPE-NEPJUHHUSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccc(Cl)cc1 ZINC000422727056 371770034 /nfs/dbraw/zinc/77/00/34/371770034.db2.gz BKGAWQKXIGKWPE-NEPJUHHUSA-N 1 3 268.832 3.333 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000422732580 371772836 /nfs/dbraw/zinc/77/28/36/371772836.db2.gz AAOYIJHBQSAGFS-NEPJUHHUSA-N 1 3 273.424 3.309 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000422737315 371774494 /nfs/dbraw/zinc/77/44/94/371774494.db2.gz XHLKESYNHCFNLW-AXFHLTTASA-N 1 3 274.330 3.482 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737274 371775202 /nfs/dbraw/zinc/77/52/02/371775202.db2.gz ZLWFPMOCNMVLMS-OALUTQOASA-N 1 3 296.414 3.235 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422740173 371776962 /nfs/dbraw/zinc/77/69/62/371776962.db2.gz AXNWYTGCDRUWDY-GRDNDAEWSA-N 1 3 260.425 3.288 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422825279 371831387 /nfs/dbraw/zinc/83/13/87/371831387.db2.gz JHVRBLNNQGUORH-RWSFTLGLSA-N 1 3 298.377 3.381 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1cccc(Cl)c1 ZINC000422826620 371831605 /nfs/dbraw/zinc/83/16/05/371831605.db2.gz RCXNGBQXIZRNKA-NWDGAFQWSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422826620 371831606 /nfs/dbraw/zinc/83/16/06/371831606.db2.gz RCXNGBQXIZRNKA-NWDGAFQWSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422768017 371794911 /nfs/dbraw/zinc/79/49/11/371794911.db2.gz NMHQXCPTXNFHNS-XJKSGUPXSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(c2cccc(Cl)c2)CC1 ZINC000422768017 371794918 /nfs/dbraw/zinc/79/49/18/371794918.db2.gz NMHQXCPTXNFHNS-XJKSGUPXSA-N 1 3 292.854 3.349 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000422790647 371810763 /nfs/dbraw/zinc/81/07/63/371810763.db2.gz PPLMTKKXLWKUQS-LJIZCISZSA-N 1 3 250.430 3.062 20 0 CGADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1ccc(Cl)cc1 ZINC000422792234 371811039 /nfs/dbraw/zinc/81/10/39/371811039.db2.gz VUMINMQKRRLBQF-DAXOMENPSA-N 1 3 296.842 3.005 20 0 CGADHO C(CCC1CCCC1)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422797677 371815686 /nfs/dbraw/zinc/81/56/86/371815686.db2.gz NYULKGWUHXQKML-RCCFBDPRSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000422804225 371821312 /nfs/dbraw/zinc/82/13/12/371821312.db2.gz DXQMGLXAKRGMJU-AWEZNQCLSA-N 1 3 295.430 3.231 20 0 CGADHO COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422838724 371835267 /nfs/dbraw/zinc/83/52/67/371835267.db2.gz PBIAHRIDYTUSPH-NHHFINERSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(OCc2ccccc2)cc1 ZINC000422873617 371848112 /nfs/dbraw/zinc/84/81/12/371848112.db2.gz ATDASHOOXUDNCE-JKSUJKDBSA-N 1 3 298.430 3.481 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])Cc1cccc(Cl)c1 ZINC000422873063 371848634 /nfs/dbraw/zinc/84/86/34/371848634.db2.gz JQODXWYMQPUVDW-HUUCEWRRSA-N 1 3 280.843 3.378 20 0 CGADHO C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000289895233 371848899 /nfs/dbraw/zinc/84/88/99/371848899.db2.gz WPKMAJQMHULJLX-BXEVVDMOSA-N 1 3 290.426 3.486 20 0 CGADHO C[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000289895233 371848907 /nfs/dbraw/zinc/84/89/07/371848907.db2.gz WPKMAJQMHULJLX-BXEVVDMOSA-N 1 3 290.426 3.486 20 0 CGADHO COc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])c(Cl)c1 ZINC000422886435 371853378 /nfs/dbraw/zinc/85/33/78/371853378.db2.gz IZHNFRREWGFNOW-HOTGVXAUSA-N 1 3 296.842 3.141 20 0 CGADHO CCc1nc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000422898016 371859163 /nfs/dbraw/zinc/85/91/63/371859163.db2.gz DHKHJESOYYAAQS-KGLIPLIRSA-N 1 3 295.496 3.148 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(COc2ccccc2)cc1 ZINC000422925769 371873414 /nfs/dbraw/zinc/87/34/14/371873414.db2.gz BRJINIQDNNYKIU-JKSUJKDBSA-N 1 3 298.430 3.481 20 0 CGADHO c1sc2ccccc2c1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422932757 371878280 /nfs/dbraw/zinc/87/82/80/371878280.db2.gz GPWIVBBQUCQVLJ-YIONKMFJSA-N 1 3 286.444 3.316 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422931207 371878570 /nfs/dbraw/zinc/87/85/70/371878570.db2.gz AZZITCYRJZFMQU-WMZOPIPTSA-N 1 3 268.404 3.099 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccccc1-c1ccccc1 ZINC000422943289 371883177 /nfs/dbraw/zinc/88/31/77/371883177.db2.gz XVHUTSQLRJKAEY-JKSUJKDBSA-N 1 3 298.430 3.448 20 0 CGADHO CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])Oc1ccccc1Cl ZINC000422842753 371836982 /nfs/dbraw/zinc/83/69/82/371836982.db2.gz ZHQOUCOILYKUNN-YNEHKIRRSA-N 1 3 284.831 3.213 20 0 CGADHO C[C@H]([NH2+]CC1(Cc2ccccc2)CCCCC1)C1CNC1 ZINC000423047218 371934723 /nfs/dbraw/zinc/93/47/23/371934723.db2.gz FWDFJRDOIBYXPF-INIZCTEOSA-N 1 3 286.463 3.377 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1cccc(Cl)c1F ZINC000423052004 371935543 /nfs/dbraw/zinc/93/55/43/371935543.db2.gz PRKMEVGXEWQBIH-GHMZBOCLSA-N 1 3 286.822 3.472 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423052004 371935545 /nfs/dbraw/zinc/93/55/45/371935545.db2.gz PRKMEVGXEWQBIH-GHMZBOCLSA-N 1 3 286.822 3.472 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423053511 371937779 /nfs/dbraw/zinc/93/77/79/371937779.db2.gz SRAZFWXTEWNJBW-XWTMOSNGSA-N 1 3 288.435 3.156 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(F)cc2F)CCCC1 ZINC000423059764 371939426 /nfs/dbraw/zinc/93/94/26/371939426.db2.gz GLOZKWYKJHKRRY-QWHCGFSZSA-N 1 3 296.405 3.492 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423062882 371940835 /nfs/dbraw/zinc/94/08/35/371940835.db2.gz VBRBGEWHGHNTPA-XJNFMUPTSA-N 1 3 260.425 3.113 20 0 CGADHO Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000422947883 371887347 /nfs/dbraw/zinc/88/73/47/371887347.db2.gz QQVQUTCVBUAHBF-OALUTQOASA-N 1 3 296.414 3.417 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422964839 371894461 /nfs/dbraw/zinc/89/44/61/371894461.db2.gz JWMRLZDGTIIFAZ-QGPMSJSTSA-N 1 3 295.430 3.446 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCCC(F)(F)C1 ZINC000422988667 371903147 /nfs/dbraw/zinc/90/31/47/371903147.db2.gz JRLRLGWYUUGYBM-QEJZJMRPSA-N 1 3 282.378 3.112 20 0 CGADHO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cnccc2N)c1 ZINC000423026733 371922103 /nfs/dbraw/zinc/92/21/03/371922103.db2.gz NUTVUJLZPZIRKD-ZDUSSCGKSA-N 1 3 284.407 3.037 20 0 CGADHO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)[C@@H]1CCCCN1 ZINC000423025981 371922532 /nfs/dbraw/zinc/92/25/32/371922532.db2.gz PPFGYTCRKRELOF-JSGCOSHPSA-N 1 3 295.496 3.103 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1c2ccccc2CCC1(C)C ZINC000423026037 371923033 /nfs/dbraw/zinc/92/30/33/371923033.db2.gz MUCKBWLYHYHKHO-ZENOOKHLSA-N 1 3 260.425 3.416 20 0 CGADHO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cnccc2N)c1 ZINC000423026732 371923120 /nfs/dbraw/zinc/92/31/20/371923120.db2.gz NUTVUJLZPZIRKD-CYBMUJFWSA-N 1 3 284.407 3.037 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423033984 371926143 /nfs/dbraw/zinc/92/61/43/371926143.db2.gz ZZMHWXTUGGVBKJ-WDEREUQCSA-N 1 3 284.806 3.226 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033984 371926145 /nfs/dbraw/zinc/92/61/45/371926145.db2.gz ZZMHWXTUGGVBKJ-WDEREUQCSA-N 1 3 284.806 3.226 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(F)(F)F ZINC000423046422 371931684 /nfs/dbraw/zinc/93/16/84/371931684.db2.gz DPCBNDFGWODYNV-MRVWCRGKSA-N 1 3 286.341 3.268 20 0 CGADHO CC(C)c1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423049352 371933709 /nfs/dbraw/zinc/93/37/09/371933709.db2.gz JQNPUAVGNHDFEW-YOEHRIQHSA-N 1 3 260.425 3.288 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423098845 371962588 /nfs/dbraw/zinc/96/25/88/371962588.db2.gz SQHINYKGBWIMQT-NMFUWQPSSA-N 1 3 298.352 3.421 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423099709 371963316 /nfs/dbraw/zinc/96/33/16/371963316.db2.gz AXNNUFCIXXWWBU-HFTRVMKXSA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)c1ccc(O[C@H](C)C[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000423099709 371963325 /nfs/dbraw/zinc/96/33/25/371963325.db2.gz AXNNUFCIXXWWBU-HFTRVMKXSA-N 1 3 290.451 3.294 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423105279 371967914 /nfs/dbraw/zinc/96/79/14/371967914.db2.gz YWRUEDRXHGLPAO-MXAVVETBSA-N 1 3 264.800 3.055 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423110273 371971787 /nfs/dbraw/zinc/97/17/87/371971787.db2.gz VKXIVOSQTVXQLU-PIISCBOPSA-N 1 3 296.817 3.442 20 0 CGADHO FC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCC1 ZINC000423115731 371974526 /nfs/dbraw/zinc/97/45/26/371974526.db2.gz YPGHVGCZTRMUNW-RRFJBIMHSA-N 1 3 268.420 3.169 20 0 CGADHO CC1(C)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000423170643 372002400 /nfs/dbraw/zinc/00/24/00/372002400.db2.gz MNNLLRRMAZZJKY-MPBYHJMHSA-N 1 3 284.447 3.299 20 0 CGADHO CC(F)(F)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423131683 371983315 /nfs/dbraw/zinc/98/33/15/371983315.db2.gz IBSGXNNALYPWMG-DZGCQCFKSA-N 1 3 282.378 3.405 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423135117 371984736 /nfs/dbraw/zinc/98/47/36/371984736.db2.gz SQQGTCQWODNVKG-DZUCGIPZSA-N 1 3 276.399 3.321 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCc2csc(C(C)C)n2)[C@H](C)C1 ZINC000156965310 372002571 /nfs/dbraw/zinc/00/25/71/372002571.db2.gz FJTZCECENPLZLH-UKRRQHHQSA-N 1 3 295.496 3.129 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCc2csc(C(C)C)n2)[C@H](C)C1 ZINC000156965310 372002580 /nfs/dbraw/zinc/00/25/80/372002580.db2.gz FJTZCECENPLZLH-UKRRQHHQSA-N 1 3 295.496 3.129 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423138089 371986251 /nfs/dbraw/zinc/98/62/51/371986251.db2.gz RZYYIOYUSNSDRO-SPUZQDLCSA-N 1 3 272.436 3.158 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423138640 371987245 /nfs/dbraw/zinc/98/72/45/371987245.db2.gz JNGWCFMZKSCZDN-IAGOWNOFSA-N 1 3 258.409 3.122 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000423077029 371949679 /nfs/dbraw/zinc/94/96/79/371949679.db2.gz LCKWGUOMQXZGDM-DLBZAZTESA-N 1 3 258.409 3.171 20 0 CGADHO [NH3+]CCCN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423193913 372018667 /nfs/dbraw/zinc/01/86/67/372018667.db2.gz QZHOZBLUFDUMQL-QGZVFWFLSA-N 1 3 290.357 3.187 20 0 CGADHO COc1ccc([C@H](CCC(C)C)NCCC[NH3+])cc1 ZINC000423193462 372019557 /nfs/dbraw/zinc/01/95/57/372019557.db2.gz QTARRNHRVCYISP-INIZCTEOSA-N 1 3 264.413 3.111 20 0 CGADHO [NH3+]CCCN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000423197350 372021509 /nfs/dbraw/zinc/02/15/09/372021509.db2.gz ZBGQKHDTEMVUCL-CQSZACIVSA-N 1 3 252.789 3.046 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@@H]2CCNC2)C2CCCCC2)cc1 ZINC000423205346 372028585 /nfs/dbraw/zinc/02/85/85/372028585.db2.gz PFTACDFFIRICRA-MSOLQXFVSA-N 1 3 272.436 3.130 20 0 CGADHO C[NH+]1CCC([C@@H]2CCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000290639587 372032707 /nfs/dbraw/zinc/03/27/07/372032707.db2.gz YJTRKMUCUFXAJZ-OAHLLOKOSA-N 1 3 294.389 3.129 20 0 CGADHO Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000423215453 372036626 /nfs/dbraw/zinc/03/66/26/372036626.db2.gz NYUJKGZBBQETQO-BPUTZDHNSA-N 1 3 278.827 3.003 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000423356942 372055641 /nfs/dbraw/zinc/05/56/41/372055641.db2.gz HQEGSXWMZOCRJH-KZNAEPCWSA-N 1 3 272.436 3.445 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000423356941 372056356 /nfs/dbraw/zinc/05/63/56/372056356.db2.gz HQEGSXWMZOCRJH-KURKYZTESA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1(c2ccccc2)CCCC1 ZINC000423406895 372062279 /nfs/dbraw/zinc/06/22/79/372062279.db2.gz VFVQRCWPIBJMRF-RYRKJORJSA-N 1 3 286.463 3.475 20 0 CGADHO c1cc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc2c1CNC2 ZINC000423382041 372058852 /nfs/dbraw/zinc/05/88/52/372058852.db2.gz JSHVVUXDTVVVMC-MSOLQXFVSA-N 1 3 270.420 3.348 20 0 CGADHO CC[C@@H](NC[C@@H](CC)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423174399 372004413 /nfs/dbraw/zinc/00/44/13/372004413.db2.gz CAQRETCDYFWCLT-TUAOUCFPSA-N 1 3 266.351 3.085 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](CC)CC(F)(F)F)[C@@H]1CCCN1 ZINC000423174399 372004422 /nfs/dbraw/zinc/00/44/22/372004422.db2.gz CAQRETCDYFWCLT-TUAOUCFPSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423177398 372007457 /nfs/dbraw/zinc/00/74/57/372007457.db2.gz DUJLXVKEYZFETO-ZMLRMANQSA-N 1 3 284.856 3.235 20 0 CGADHO C[C@H](NC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423177398 372007465 /nfs/dbraw/zinc/00/74/65/372007465.db2.gz DUJLXVKEYZFETO-ZMLRMANQSA-N 1 3 284.856 3.235 20 0 CGADHO CCCCCOc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000423179491 372009483 /nfs/dbraw/zinc/00/94/83/372009483.db2.gz MGMJZMWGQUMDSP-AWEZNQCLSA-N 1 3 264.413 3.255 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000423181660 372011372 /nfs/dbraw/zinc/01/13/72/372011372.db2.gz LIRRCLGFSPEUNJ-ZJUUUORDSA-N 1 3 289.345 3.088 20 0 CGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCCC[NH3+] ZINC000423185362 372012162 /nfs/dbraw/zinc/01/21/62/372012162.db2.gz VJSYBEFDNFEGFC-SNVBAGLBSA-N 1 3 293.411 3.257 20 0 CGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCCC[NH3+] ZINC000423185361 372012478 /nfs/dbraw/zinc/01/24/78/372012478.db2.gz VJSYBEFDNFEGFC-JTQLQIEISA-N 1 3 293.411 3.257 20 0 CGADHO CC[NH+]1CCC(CCNCc2cc(F)ccc2OC)CC1 ZINC000291129296 372122381 /nfs/dbraw/zinc/12/23/81/372122381.db2.gz DULOKEVRQSTRRU-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000423456915 372065341 /nfs/dbraw/zinc/06/53/41/372065341.db2.gz DXARJNYVXVXBBU-ZBFHGGJFSA-N 1 3 260.425 3.214 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423496206 372070301 /nfs/dbraw/zinc/07/03/01/372070301.db2.gz FZVDBLQWRMJDMX-XWIAVFTESA-N 1 3 299.393 3.027 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000426334613 372153840 /nfs/dbraw/zinc/15/38/40/372153840.db2.gz AQRXPDHWMBNUBF-WBVHZDCISA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000426334613 372153849 /nfs/dbraw/zinc/15/38/49/372153849.db2.gz AQRXPDHWMBNUBF-WBVHZDCISA-N 1 3 296.499 3.292 20 0 CGADHO CCc1ccc(CNCCCCC[NH+]2CCCC2)o1 ZINC000292953255 372259869 /nfs/dbraw/zinc/25/98/69/372259869.db2.gz IWCXCXROIVPELQ-UHFFFAOYSA-N 1 3 264.413 3.198 20 0 CGADHO Cc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1Cl ZINC000430933024 372406443 /nfs/dbraw/zinc/40/64/43/372406443.db2.gz IMTRDJMMDKOMGX-UHFFFAOYSA-N 1 3 278.827 3.224 20 0 CGADHO FC(F)(F)c1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430946158 372408114 /nfs/dbraw/zinc/40/81/14/372408114.db2.gz ZPVINRXSGHQTTD-UHFFFAOYSA-N 1 3 298.352 3.281 20 0 CGADHO Cc1oc2ccccc2c1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163435151 372468773 /nfs/dbraw/zinc/46/87/73/372468773.db2.gz CSJIBBNSNCVVJZ-GXTWGEPZSA-N 1 3 272.392 3.158 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1F ZINC000168755158 372619636 /nfs/dbraw/zinc/61/96/36/372619636.db2.gz OKGBQTQRQZIJMH-CXAGYDPISA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000294468797 372656642 /nfs/dbraw/zinc/65/66/42/372656642.db2.gz VMJHDMYPKMJLLS-OAHLLOKOSA-N 1 3 264.438 3.416 20 0 CGADHO CN(Cc1cccc(-c2ccccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435447484 372765412 /nfs/dbraw/zinc/76/54/12/372765412.db2.gz PJLWSUYEHAYTCC-SFHVURJKSA-N 1 3 295.430 3.323 20 0 CGADHO CCN(Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435381308 372756619 /nfs/dbraw/zinc/75/66/19/372756619.db2.gz SOIIVTQSRNNAGZ-CQSZACIVSA-N 1 3 298.377 3.252 20 0 CGADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000344579619 217237565 /nfs/dbraw/zinc/23/75/65/217237565.db2.gz GIKDNMSLLWDMKZ-HZPDHXFCSA-N 1 3 296.499 3.028 20 0 CGADHO Cc1ccsc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353500180 220121892 /nfs/dbraw/zinc/12/18/92/220121892.db2.gz WTVQLNBLNHFJGW-MCIONIFRSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353500180 220121895 /nfs/dbraw/zinc/12/18/95/220121895.db2.gz WTVQLNBLNHFJGW-MCIONIFRSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353500180 220121896 /nfs/dbraw/zinc/12/18/96/220121896.db2.gz WTVQLNBLNHFJGW-MCIONIFRSA-N 1 3 264.438 3.019 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCSc1ccc(Cl)cc1 ZINC000442757890 373073288 /nfs/dbraw/zinc/07/32/88/373073288.db2.gz NJISYDAKIGUJDP-NEPJUHHUSA-N 1 3 284.856 3.101 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000173360046 373131131 /nfs/dbraw/zinc/13/11/31/373131131.db2.gz YBTCOUPMYHLYDJ-BBWFWOEESA-N 1 3 290.451 3.227 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000444202328 373175394 /nfs/dbraw/zinc/17/53/94/373175394.db2.gz DCORUKOJPQCQPH-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000444202328 373175395 /nfs/dbraw/zinc/17/53/95/373175395.db2.gz DCORUKOJPQCQPH-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC000296557789 373175420 /nfs/dbraw/zinc/17/54/20/373175420.db2.gz UCJWONDRFKATTP-UKRRQHHQSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1cc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC000296557789 373175425 /nfs/dbraw/zinc/17/54/25/373175425.db2.gz UCJWONDRFKATTP-UKRRQHHQSA-N 1 3 296.480 3.208 20 0 CGADHO CCC[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000444600940 373208330 /nfs/dbraw/zinc/20/83/30/373208330.db2.gz XFASHMLKLNULRV-INIZCTEOSA-N 1 3 252.446 3.375 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174315910 373291297 /nfs/dbraw/zinc/29/12/97/373291297.db2.gz GUBFQSNTIZARNP-NCOADZHNSA-N 1 3 282.472 3.044 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724166 373475591 /nfs/dbraw/zinc/47/55/91/373475591.db2.gz UIQIHGDWKZYYTG-DOTOQJQBSA-N 1 3 290.451 3.308 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724166 373475604 /nfs/dbraw/zinc/47/56/04/373475604.db2.gz UIQIHGDWKZYYTG-DOTOQJQBSA-N 1 3 290.451 3.308 20 0 CGADHO CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000175725257 373509905 /nfs/dbraw/zinc/50/99/05/373509905.db2.gz QLYGJKFYNIAIML-NVXWUHKLSA-N 1 3 290.451 3.247 20 0 CGADHO CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000175725257 373509908 /nfs/dbraw/zinc/50/99/08/373509908.db2.gz QLYGJKFYNIAIML-NVXWUHKLSA-N 1 3 290.451 3.247 20 0 CGADHO CSCCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000300634291 373637458 /nfs/dbraw/zinc/63/74/58/373637458.db2.gz MZTFPORRQMQJPV-ARFHVFGLSA-N 1 3 284.513 3.420 20 0 CGADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984728 373616444 /nfs/dbraw/zinc/61/64/44/373616444.db2.gz IBJXDJQTGZUZBO-IXDOHACOSA-N 1 3 292.467 3.085 20 0 CGADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984728 373616449 /nfs/dbraw/zinc/61/64/49/373616449.db2.gz IBJXDJQTGZUZBO-IXDOHACOSA-N 1 3 292.467 3.085 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374139 373678276 /nfs/dbraw/zinc/67/82/76/373678276.db2.gz KOSQRKMZNKXNTB-HRCADAONSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000177374139 373678283 /nfs/dbraw/zinc/67/82/83/373678283.db2.gz KOSQRKMZNKXNTB-HRCADAONSA-N 1 3 298.434 3.006 20 0 CGADHO CCOC[C@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177979123 373732430 /nfs/dbraw/zinc/73/24/30/373732430.db2.gz ICVLSSFOMIOABQ-HNNXBMFYSA-N 1 3 278.440 3.041 20 0 CGADHO CCOC[C@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000177979123 373732440 /nfs/dbraw/zinc/73/24/40/373732440.db2.gz ICVLSSFOMIOABQ-HNNXBMFYSA-N 1 3 278.440 3.041 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccoc2)CC1 ZINC000178732244 373808498 /nfs/dbraw/zinc/80/84/98/373808498.db2.gz HHUYZUZSFNDIPS-ZDUSSCGKSA-N 1 3 250.386 3.052 20 0 CGADHO CN1CCC[C@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628815 373799455 /nfs/dbraw/zinc/79/94/55/373799455.db2.gz VLLAHMGASOPADK-JCGIZDLHSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628815 373799458 /nfs/dbraw/zinc/79/94/58/373799458.db2.gz VLLAHMGASOPADK-JCGIZDLHSA-N 1 3 288.410 3.229 20 0 CGADHO Cc1ccc2nccc(N(C)CC3([NH+](C)C)CCC3)c2c1 ZINC000302495488 373881052 /nfs/dbraw/zinc/88/10/52/373881052.db2.gz MALLBFNFBKASQL-UHFFFAOYSA-N 1 3 283.419 3.464 20 0 CGADHO Cc1cc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000302534756 373890958 /nfs/dbraw/zinc/89/09/58/373890958.db2.gz DPEPJHUFFDCODI-VNHYZAJKSA-N 1 3 261.413 3.168 20 0 CGADHO Cc1cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000302534756 373890962 /nfs/dbraw/zinc/89/09/62/373890962.db2.gz DPEPJHUFFDCODI-VNHYZAJKSA-N 1 3 261.413 3.168 20 0 CGADHO CC(C)[N@H+](C)CCCNCCc1ccc(Cl)cc1 ZINC000308461511 374166470 /nfs/dbraw/zinc/16/64/70/374166470.db2.gz RSPRMXGRAFDUMT-UHFFFAOYSA-N 1 3 268.832 3.202 20 0 CGADHO CC(C)[N@@H+](C)CCCNCCc1ccc(Cl)cc1 ZINC000308461511 374166474 /nfs/dbraw/zinc/16/64/74/374166474.db2.gz RSPRMXGRAFDUMT-UHFFFAOYSA-N 1 3 268.832 3.202 20 0 CGADHO CC(C)N(C)CCC[NH2+]CCc1ccc(Cl)cc1 ZINC000308461511 374166481 /nfs/dbraw/zinc/16/64/81/374166481.db2.gz RSPRMXGRAFDUMT-UHFFFAOYSA-N 1 3 268.832 3.202 20 0 CGADHO CC(C)[C@@H](NC[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000310246800 374212044 /nfs/dbraw/zinc/21/20/44/374212044.db2.gz NAGAHBXBRRKIRV-BXUZGUMPSA-N 1 3 254.805 3.222 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(F)c1 ZINC000310816121 374225237 /nfs/dbraw/zinc/22/52/37/374225237.db2.gz GQTPYYATHAQJDA-SWLSCSKDSA-N 1 3 252.377 3.064 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2cnc(C)s2)CC1 ZINC000090418126 541961244 /nfs/dbraw/zinc/96/12/44/541961244.db2.gz NQGRIYLNVSVWPK-LBPRGKRZSA-N 1 3 281.469 3.224 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451286 541981279 /nfs/dbraw/zinc/98/12/79/541981279.db2.gz FMRUUYQZGZMWIM-XMTFNYHQSA-N 1 3 270.420 3.184 20 0 CGADHO CC(C)=CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721274 374722317 /nfs/dbraw/zinc/72/23/17/374722317.db2.gz ZUNBCQPKLRFWCX-HUUCEWRRSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721274 374722327 /nfs/dbraw/zinc/72/23/27/374722327.db2.gz ZUNBCQPKLRFWCX-HUUCEWRRSA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185721274 374722338 /nfs/dbraw/zinc/72/23/38/374722338.db2.gz ZUNBCQPKLRFWCX-HUUCEWRRSA-N 1 3 250.430 3.195 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418153 374734059 /nfs/dbraw/zinc/73/40/59/374734059.db2.gz RNGYBYSUWUXOTK-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418153 374734068 /nfs/dbraw/zinc/73/40/68/374734068.db2.gz RNGYBYSUWUXOTK-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000334418153 374734077 /nfs/dbraw/zinc/73/40/77/374734077.db2.gz RNGYBYSUWUXOTK-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO c1cc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)ccn1 ZINC000334561096 374859883 /nfs/dbraw/zinc/85/98/83/374859883.db2.gz FKJCXPYAEWRMSH-QGZVFWFLSA-N 1 3 285.435 3.363 20 0 CGADHO CC(C)[NH+]1CCC(N[C@H]2CCCc3cc(N)ccc32)CC1 ZINC000334866618 375040074 /nfs/dbraw/zinc/04/00/74/375040074.db2.gz YUGNDSWOAZJHNI-SFHVURJKSA-N 1 3 287.451 3.109 20 0 CGADHO [NH3+][C@H]1C[C@H](NC2CCC(F)(F)CC2)c2ccccc21 ZINC000335024761 375078685 /nfs/dbraw/zinc/07/86/85/375078685.db2.gz DWOIIWIRZDVGJM-KBPBESRZSA-N 1 3 266.335 3.299 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC2CCC(F)(F)CC2)c2ccccc21 ZINC000335024765 375078755 /nfs/dbraw/zinc/07/87/55/375078755.db2.gz DWOIIWIRZDVGJM-UONOGXRCSA-N 1 3 266.335 3.299 20 0 CGADHO c1ccc(CC2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000335044108 375087918 /nfs/dbraw/zinc/08/79/18/375087918.db2.gz SPDNGYHRWKTMFE-DFNIBXOVSA-N 1 3 284.447 3.224 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC1(C)C)N1CCCCC1 ZINC000487549173 375251195 /nfs/dbraw/zinc/25/11/95/375251195.db2.gz NBJJHVFDCPGRTQ-KKUMJFAQSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1CC1(C)C ZINC000487196688 375207954 /nfs/dbraw/zinc/20/79/54/375207954.db2.gz HJRFYCVDDNERNA-KBPBESRZSA-N 1 3 252.446 3.133 20 0 CGADHO CCc1ccccc1C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000189078549 375320471 /nfs/dbraw/zinc/32/04/71/375320471.db2.gz LSZFAHFGXZMQHS-HNNXBMFYSA-N 1 3 260.425 3.023 20 0 CGADHO CCc1ccccc1C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000189078549 375320478 /nfs/dbraw/zinc/32/04/78/375320478.db2.gz LSZFAHFGXZMQHS-HNNXBMFYSA-N 1 3 260.425 3.023 20 0 CGADHO C[N@H+](Cc1cc2ccccc2s1)C1CCNCC1 ZINC000335734723 375387168 /nfs/dbraw/zinc/38/71/68/375387168.db2.gz BVUMGBAYZVTTJR-UHFFFAOYSA-N 1 3 260.406 3.085 20 0 CGADHO C[N@@H+](Cc1cc2ccccc2s1)C1CCNCC1 ZINC000335734723 375387169 /nfs/dbraw/zinc/38/71/69/375387169.db2.gz BVUMGBAYZVTTJR-UHFFFAOYSA-N 1 3 260.406 3.085 20 0 CGADHO CC(C)OC1CC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000189567900 375412691 /nfs/dbraw/zinc/41/26/91/375412691.db2.gz IKABMNMGDYRSCD-LCMLCXGQSA-N 1 3 294.483 3.185 20 0 CGADHO CCCC[N@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000123927171 542029932 /nfs/dbraw/zinc/02/99/32/542029932.db2.gz JGZGITNYMRXKKV-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO CCCC[N@@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000123927171 542029935 /nfs/dbraw/zinc/02/99/35/542029935.db2.gz JGZGITNYMRXKKV-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccc2c1CCNC2 ZINC000123942013 542030212 /nfs/dbraw/zinc/03/02/12/542030212.db2.gz HTVARDWRMFNDPA-RDTXWAMCSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000123942013 542030216 /nfs/dbraw/zinc/03/02/16/542030216.db2.gz HTVARDWRMFNDPA-RDTXWAMCSA-N 1 3 272.436 3.343 20 0 CGADHO FC(F)(F)C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123992929 542030362 /nfs/dbraw/zinc/03/03/62/542030362.db2.gz VAFWJDFSIBLMOY-UHFFFAOYSA-N 1 3 298.352 3.107 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000516214293 375819472 /nfs/dbraw/zinc/81/94/72/375819472.db2.gz BAVUMYTZMYYNKS-HNNXBMFYSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)c2ccccc21 ZINC000336812535 375964692 /nfs/dbraw/zinc/96/46/92/375964692.db2.gz RQINNUNVCQBIOV-PBHICJAKSA-N 1 3 258.409 3.310 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000193733591 375917223 /nfs/dbraw/zinc/91/72/23/375917223.db2.gz MFPMYTZGJOGHQZ-AWEZNQCLSA-N 1 3 278.827 3.222 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536857861 376136607 /nfs/dbraw/zinc/13/66/07/376136607.db2.gz MNUDLFUJGUPQIP-ZACQAIPSSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1cccc2ccccc21 ZINC000536879592 376142168 /nfs/dbraw/zinc/14/21/68/376142168.db2.gz XGBSTUNFEDFERW-QAPCUYQASA-N 1 3 298.430 3.148 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1cccc2ccccc21 ZINC000536879592 376142171 /nfs/dbraw/zinc/14/21/71/376142171.db2.gz XGBSTUNFEDFERW-QAPCUYQASA-N 1 3 298.430 3.148 20 0 CGADHO COc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c2ccccc12 ZINC000215977292 376154231 /nfs/dbraw/zinc/15/42/31/376154231.db2.gz JSWATYFYSMBKSK-ZIAGYGMSSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@@H+]2C[C@@H](CN)C[C@H]2C)c2ccccc12 ZINC000215977292 376154237 /nfs/dbraw/zinc/15/42/37/376154237.db2.gz JSWATYFYSMBKSK-ZIAGYGMSSA-N 1 3 284.403 3.018 20 0 CGADHO COc1ccc(C[N@H+]2C[C@@H](CN)C[C@H]2C)c2ccccc12 ZINC000215977292 376154242 /nfs/dbraw/zinc/15/42/42/376154242.db2.gz JSWATYFYSMBKSK-ZIAGYGMSSA-N 1 3 284.403 3.018 20 0 CGADHO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(OCCN(C)C)c1 ZINC000537452154 376170291 /nfs/dbraw/zinc/17/02/91/376170291.db2.gz MVFHPOTXXHMTAD-CQSZACIVSA-N 1 3 288.435 3.220 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000337378022 376217219 /nfs/dbraw/zinc/21/72/19/376217219.db2.gz BSHMYFYGRYKYQI-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000221851866 376223924 /nfs/dbraw/zinc/22/39/24/376223924.db2.gz PZYASIAKGUGMOX-DZKIICNBSA-N 1 3 276.424 3.219 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000221851866 376223927 /nfs/dbraw/zinc/22/39/27/376223927.db2.gz PZYASIAKGUGMOX-DZKIICNBSA-N 1 3 276.424 3.219 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)s1 ZINC000539896290 376346037 /nfs/dbraw/zinc/34/60/37/376346037.db2.gz KVPSQOWHKAKIMK-BBRMVZONSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)s1 ZINC000539896290 376346039 /nfs/dbraw/zinc/34/60/39/376346039.db2.gz KVPSQOWHKAKIMK-BBRMVZONSA-N 1 3 278.465 3.227 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540151290 376359272 /nfs/dbraw/zinc/35/92/72/376359272.db2.gz MLFWKMKUKBWENM-ZBFHGGJFSA-N 1 3 252.446 3.133 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918674 376374518 /nfs/dbraw/zinc/37/45/18/376374518.db2.gz KVCFFHFJCREFSL-GUYCJALGSA-N 1 3 276.399 3.208 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918674 376374526 /nfs/dbraw/zinc/37/45/26/376374526.db2.gz KVCFFHFJCREFSL-GUYCJALGSA-N 1 3 276.399 3.208 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000226918674 376374532 /nfs/dbraw/zinc/37/45/32/376374532.db2.gz KVCFFHFJCREFSL-GUYCJALGSA-N 1 3 276.399 3.208 20 0 CGADHO C[NH+]1CCC(C)(CNCc2ccccc2Cl)CC1 ZINC000227330785 376389788 /nfs/dbraw/zinc/38/97/88/376389788.db2.gz GVDIPMKAMVAJDS-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000228191063 376430592 /nfs/dbraw/zinc/43/05/92/376430592.db2.gz YMXVQENWXDMUDW-CVEARBPZSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000228191063 376430595 /nfs/dbraw/zinc/43/05/95/376430595.db2.gz YMXVQENWXDMUDW-CVEARBPZSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000228191063 376430599 /nfs/dbraw/zinc/43/05/99/376430599.db2.gz YMXVQENWXDMUDW-CVEARBPZSA-N 1 3 290.451 3.177 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000228209889 376433335 /nfs/dbraw/zinc/43/33/35/376433335.db2.gz KDIZDFQHUPERKI-WBMJQRKESA-N 1 3 272.392 3.171 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000228209889 376433339 /nfs/dbraw/zinc/43/33/39/376433339.db2.gz KDIZDFQHUPERKI-WBMJQRKESA-N 1 3 272.392 3.171 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000228474654 376436401 /nfs/dbraw/zinc/43/64/01/376436401.db2.gz DIFAGWRYTWNVEK-BPLDGKMQSA-N 1 3 298.352 3.265 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000542469124 376544537 /nfs/dbraw/zinc/54/45/37/376544537.db2.gz MKKYPJTURWYBMO-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000542469124 376544543 /nfs/dbraw/zinc/54/45/43/376544543.db2.gz MKKYPJTURWYBMO-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC1 ZINC000232966037 376592325 /nfs/dbraw/zinc/59/23/25/376592325.db2.gz UMSLJCGWRRDWJT-UHFFFAOYSA-N 1 3 273.424 3.220 20 0 CGADHO Cc1nc2ccccc2c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000544069212 376700781 /nfs/dbraw/zinc/70/07/81/376700781.db2.gz PQEFNEHZFNNKEY-MRXNPFEDSA-N 1 3 297.446 3.416 20 0 CGADHO Cc1nc2ccccc2c(NC[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000544069212 376700784 /nfs/dbraw/zinc/70/07/84/376700784.db2.gz PQEFNEHZFNNKEY-MRXNPFEDSA-N 1 3 297.446 3.416 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000152920662 542109997 /nfs/dbraw/zinc/10/99/97/542109997.db2.gz CHCFOESPZQYGCX-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000152920662 542110002 /nfs/dbraw/zinc/11/00/02/542110002.db2.gz CHCFOESPZQYGCX-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)C1 ZINC000245538220 376844054 /nfs/dbraw/zinc/84/40/54/376844054.db2.gz MSNQLKFUAQWSJW-QZWWFDLISA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)C1 ZINC000245538220 376844058 /nfs/dbraw/zinc/84/40/58/376844058.db2.gz MSNQLKFUAQWSJW-QZWWFDLISA-N 1 3 264.457 3.229 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CC)C1 ZINC000245779633 376905269 /nfs/dbraw/zinc/90/52/69/376905269.db2.gz YPVCMIRXCBYSEX-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000245781645 376907810 /nfs/dbraw/zinc/90/78/10/376907810.db2.gz ULFGRZOYJAQBGE-WMLDXEAASA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000245781645 376907821 /nfs/dbraw/zinc/90/78/21/376907821.db2.gz ULFGRZOYJAQBGE-WMLDXEAASA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccccc1OCCC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000340369587 377023449 /nfs/dbraw/zinc/02/34/49/377023449.db2.gz FGNDRJRAAOUIAB-KRWDZBQOSA-N 1 3 290.451 3.180 20 0 CGADHO Cc1ccccc1OCCC[N@H+](C)CC[C@@H]1CCCN1C ZINC000340369587 377023451 /nfs/dbraw/zinc/02/34/51/377023451.db2.gz FGNDRJRAAOUIAB-KRWDZBQOSA-N 1 3 290.451 3.180 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(C2CC2)c1 ZINC000340315570 376997844 /nfs/dbraw/zinc/99/78/44/376997844.db2.gz HFBYBQCPDGXVLB-AWEZNQCLSA-N 1 3 270.420 3.477 20 0 CGADHO CSC1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000558400527 377002185 /nfs/dbraw/zinc/00/21/85/377002185.db2.gz DLGNUMKWFBDNHY-MRXNPFEDSA-N 1 3 296.524 3.470 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246641206 377066195 /nfs/dbraw/zinc/06/61/95/377066195.db2.gz JPYVXXHJBVYNJN-IAGOWNOFSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)CN(C)C ZINC000559136298 377067368 /nfs/dbraw/zinc/06/73/68/377067368.db2.gz QQEBZTDWUWAMFA-YOEHRIQHSA-N 1 3 260.425 3.315 20 0 CGADHO C[C@@H](CN[C@@H](CC1CC1)c1ccccc1)C[NH+](C)C ZINC000559136298 377067373 /nfs/dbraw/zinc/06/73/73/377067373.db2.gz QQEBZTDWUWAMFA-YOEHRIQHSA-N 1 3 260.425 3.315 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000340458875 377072561 /nfs/dbraw/zinc/07/25/61/377072561.db2.gz BLTOAYJKSBICOK-TZMCWYRMSA-N 1 3 267.417 3.144 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)s1 ZINC000560515265 377164554 /nfs/dbraw/zinc/16/45/54/377164554.db2.gz WOCVDAVKBCLRNA-XHSDSOJGSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000560515265 377164560 /nfs/dbraw/zinc/16/45/60/377164560.db2.gz WOCVDAVKBCLRNA-XHSDSOJGSA-N 1 3 278.465 3.273 20 0 CGADHO CCc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000560515265 377164563 /nfs/dbraw/zinc/16/45/63/377164563.db2.gz WOCVDAVKBCLRNA-XHSDSOJGSA-N 1 3 278.465 3.273 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000247474838 377208414 /nfs/dbraw/zinc/20/84/14/377208414.db2.gz SVZBXZAYFAVWIH-JLSDUUJJSA-N 1 3 272.436 3.384 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000247474838 377208423 /nfs/dbraw/zinc/20/84/23/377208423.db2.gz SVZBXZAYFAVWIH-JLSDUUJJSA-N 1 3 272.436 3.384 20 0 CGADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247474830 377209941 /nfs/dbraw/zinc/20/99/41/377209941.db2.gz SVZBXZAYFAVWIH-JCGIZDLHSA-N 1 3 272.436 3.384 20 0 CGADHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000247474830 377209947 /nfs/dbraw/zinc/20/99/47/377209947.db2.gz SVZBXZAYFAVWIH-JCGIZDLHSA-N 1 3 272.436 3.384 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCSc2ccc(C)cc2)[C@@H](C)C1 ZINC000247980452 377252960 /nfs/dbraw/zinc/25/29/60/377252960.db2.gz MHRAXRNYFQJSES-RDJZCZTQSA-N 1 3 292.492 3.407 20 0 CGADHO CC[N@H+]1CC[C@H](NCCSc2ccc(C)cc2)[C@@H](C)C1 ZINC000247980452 377252967 /nfs/dbraw/zinc/25/29/67/377252967.db2.gz MHRAXRNYFQJSES-RDJZCZTQSA-N 1 3 292.492 3.407 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000561976818 377259413 /nfs/dbraw/zinc/25/94/13/377259413.db2.gz YPGRFLFEGGXBFY-SFHVURJKSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000561976818 377259421 /nfs/dbraw/zinc/25/94/21/377259421.db2.gz YPGRFLFEGGXBFY-SFHVURJKSA-N 1 3 286.463 3.467 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248455327 377323614 /nfs/dbraw/zinc/32/36/14/377323614.db2.gz HUTQODWGMMJIID-NCOADZHNSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248455327 377323617 /nfs/dbraw/zinc/32/36/17/377323617.db2.gz HUTQODWGMMJIID-NCOADZHNSA-N 1 3 264.457 3.229 20 0 CGADHO CCC[NH+]1CCC(N[C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000161611304 542159563 /nfs/dbraw/zinc/15/95/63/542159563.db2.gz FDWJXKADSRPYHL-RDTXWAMCSA-N 1 3 272.436 3.384 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587879 377357280 /nfs/dbraw/zinc/35/72/80/377357280.db2.gz YJIHWDSOQFSJPK-RTBURBONSA-N 1 3 286.463 3.425 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@H]21 ZINC000248587879 377357292 /nfs/dbraw/zinc/35/72/92/377357292.db2.gz YJIHWDSOQFSJPK-RTBURBONSA-N 1 3 286.463 3.425 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000092165648 249032905 /nfs/dbraw/zinc/03/29/05/249032905.db2.gz XPYXPACYTYQLCW-UHFFFAOYSA-N 1 3 278.415 3.440 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000092165648 249032906 /nfs/dbraw/zinc/03/29/06/249032906.db2.gz XPYXPACYTYQLCW-UHFFFAOYSA-N 1 3 278.415 3.440 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)CN1CCCCC1 ZINC000094424022 249040779 /nfs/dbraw/zinc/04/07/79/249040779.db2.gz YNUBWCXPBUPDGM-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CN[C@@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCCC1 ZINC000094424022 249040782 /nfs/dbraw/zinc/04/07/82/249040782.db2.gz YNUBWCXPBUPDGM-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Sc1ccccc1 ZINC000166729422 542175193 /nfs/dbraw/zinc/17/51/93/542175193.db2.gz ZKQTXPHIKHYLST-BZUAXINKSA-N 1 3 290.476 3.384 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccccc1 ZINC000166729422 542175196 /nfs/dbraw/zinc/17/51/96/542175196.db2.gz ZKQTXPHIKHYLST-BZUAXINKSA-N 1 3 290.476 3.384 20 0 CGADHO CCc1cccc2c(CC[NH2+][C@H]3CCCC[C@H]3CN)c[nH]c21 ZINC000422907956 249127354 /nfs/dbraw/zinc/12/73/54/249127354.db2.gz CKRMNNPRIDHCAQ-YJBOKZPZSA-N 1 3 299.462 3.380 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)N[C@H](C)C[NH3+] ZINC000414921415 249124291 /nfs/dbraw/zinc/12/42/91/249124291.db2.gz BFORNCKTSLUGLU-BXKDBHETSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1=CCN(C)CC1 ZINC000515407405 249211285 /nfs/dbraw/zinc/21/12/85/249211285.db2.gz VCRNLOJPBQYECP-CYBMUJFWSA-N 1 3 294.389 3.137 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000180135564 542206446 /nfs/dbraw/zinc/20/64/46/542206446.db2.gz UXMYDHJLIKJQOB-KKUMJFAQSA-N 1 3 292.471 3.127 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC(C)(C)c2ccccc2)C1 ZINC000180550164 542212178 /nfs/dbraw/zinc/21/21/78/542212178.db2.gz KRNUIIVGJZNSHF-INIZCTEOSA-N 1 3 274.452 3.238 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)c2ccccc2)C1 ZINC000180550164 542212180 /nfs/dbraw/zinc/21/21/80/542212180.db2.gz KRNUIIVGJZNSHF-INIZCTEOSA-N 1 3 274.452 3.238 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550164 542212182 /nfs/dbraw/zinc/21/21/82/542212182.db2.gz KRNUIIVGJZNSHF-INIZCTEOSA-N 1 3 274.452 3.238 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000180550164 542212184 /nfs/dbraw/zinc/21/21/84/542212184.db2.gz KRNUIIVGJZNSHF-INIZCTEOSA-N 1 3 274.452 3.238 20 0 CGADHO CCSCC[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253068695 377672212 /nfs/dbraw/zinc/67/22/12/377672212.db2.gz KZNVHOYZZAURAJ-RRFJBIMHSA-N 1 3 272.502 3.419 20 0 CGADHO Cc1ccc(CNCc2ccc(C[NH3+])cc2)c(C)c1 ZINC000259104356 377803793 /nfs/dbraw/zinc/80/37/93/377803793.db2.gz USYMRFLBZABKKD-UHFFFAOYSA-N 1 3 254.377 3.052 20 0 CGADHO CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261587678 377823815 /nfs/dbraw/zinc/82/38/15/377823815.db2.gz VCEYABINVFWZMW-LJIZCISZSA-N 1 3 250.430 3.075 20 0 CGADHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000261587678 377823820 /nfs/dbraw/zinc/82/38/20/377823820.db2.gz VCEYABINVFWZMW-LJIZCISZSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261686219 377839498 /nfs/dbraw/zinc/83/94/98/377839498.db2.gz ARFNXLKBWQONLF-IAGOWNOFSA-N 1 3 278.415 3.454 20 0 CGADHO C[C@@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924038 377868867 /nfs/dbraw/zinc/86/88/67/377868867.db2.gz KTZZAXFWYWUKHX-XJKSGUPXSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@@H](C[N@H+](C)[C@@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924038 377868875 /nfs/dbraw/zinc/86/88/75/377868875.db2.gz KTZZAXFWYWUKHX-XJKSGUPXSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@@H](C[N@@H+](C)[C@@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924038 377868883 /nfs/dbraw/zinc/86/88/83/377868883.db2.gz KTZZAXFWYWUKHX-XJKSGUPXSA-N 1 3 264.388 3.003 20 0 CGADHO CC[N@H+](C[C@H](C)c1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000261995304 377875460 /nfs/dbraw/zinc/87/54/60/377875460.db2.gz SSIRUBKUGQTDGG-YOEHRIQHSA-N 1 3 278.415 3.393 20 0 CGADHO CC[N@@H+](C[C@H](C)c1ccc(F)cc1)[C@H]1CCCNCC1 ZINC000261995304 377875467 /nfs/dbraw/zinc/87/54/67/377875467.db2.gz SSIRUBKUGQTDGG-YOEHRIQHSA-N 1 3 278.415 3.393 20 0 CGADHO Cc1ccc(-c2cc(CN3CCC[C@@H](CC[NH3+])C3)on2)cc1 ZINC000261996614 377877226 /nfs/dbraw/zinc/87/72/26/377877226.db2.gz UPDPUEREOFLKPS-HNNXBMFYSA-N 1 3 299.418 3.211 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000262309691 377893800 /nfs/dbraw/zinc/89/38/00/377893800.db2.gz PPDYOBSTMSPCAX-UHFFFAOYSA-N 1 3 299.418 3.163 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000261719470 377844162 /nfs/dbraw/zinc/84/41/62/377844162.db2.gz KDPKTLGATVXFMB-KUQKPQIMSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000261719471 377845845 /nfs/dbraw/zinc/84/58/45/377845845.db2.gz KDPKTLGATVXFMB-LTDKPHRXSA-N 1 3 272.436 3.300 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261734872 377846621 /nfs/dbraw/zinc/84/66/21/377846621.db2.gz HSHJIYIGFLPRCY-SJORKVTESA-N 1 3 258.409 3.132 20 0 CGADHO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc12 ZINC000262575035 377901871 /nfs/dbraw/zinc/90/18/71/377901871.db2.gz XZTMBVQWDNDDOX-JCGIZDLHSA-N 1 3 296.414 3.018 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577964094 378027615 /nfs/dbraw/zinc/02/76/15/378027615.db2.gz YGPCFOCIPNCXMB-DUFGSWQCSA-N 1 3 258.409 3.170 20 0 CGADHO Cc1nc(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)sc1C ZINC000578348220 378060544 /nfs/dbraw/zinc/06/05/44/378060544.db2.gz ZFCMHFWUFRLMSO-HUUCEWRRSA-N 1 3 287.432 3.037 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000578342208 378060862 /nfs/dbraw/zinc/06/08/62/378060862.db2.gz NCBUVIGCJRMZLF-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000578434010 378068140 /nfs/dbraw/zinc/06/81/40/378068140.db2.gz XVNCQBNEXJSJCA-BRWVUGGUSA-N 1 3 276.424 3.031 20 0 CGADHO CSc1cc(C)ccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000579024324 378124042 /nfs/dbraw/zinc/12/40/42/378124042.db2.gz FYEXABJOPCKTNH-UONOGXRCSA-N 1 3 264.438 3.076 20 0 CGADHO CO[C@@H](C)[C@@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000268834091 378127628 /nfs/dbraw/zinc/12/76/28/378127628.db2.gz RNZVNOLRTGHEQW-CABCVRRESA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@@H](C)[C@@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000268834091 378127632 /nfs/dbraw/zinc/12/76/32/378127632.db2.gz RNZVNOLRTGHEQW-CABCVRRESA-N 1 3 278.440 3.040 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccc(Cl)cc1 ZINC000579140794 378134052 /nfs/dbraw/zinc/13/40/52/378134052.db2.gz RHYGOMDBCDTOSV-HUUCEWRRSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000579140794 378134055 /nfs/dbraw/zinc/13/40/55/378134055.db2.gz RHYGOMDBCDTOSV-HUUCEWRRSA-N 1 3 280.843 3.477 20 0 CGADHO CCN(CCOc1cc(C)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345176415 378214707 /nfs/dbraw/zinc/21/47/07/378214707.db2.gz CIZADJRKEDDKES-KRWDZBQOSA-N 1 3 290.451 3.146 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000345182373 378215831 /nfs/dbraw/zinc/21/58/31/378215831.db2.gz VWYZGKVXIXDCEV-HOTGVXAUSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345182373 378215834 /nfs/dbraw/zinc/21/58/34/378215834.db2.gz VWYZGKVXIXDCEV-HOTGVXAUSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000269035097 378178336 /nfs/dbraw/zinc/17/83/36/378178336.db2.gz SKEKEDXPMLQLLV-BXUZGUMPSA-N 1 3 282.428 3.292 20 0 CGADHO CC1CC[NH+](C[C@H]2CCCN(CC3(C)CC3)C2)CC1 ZINC000579679729 378183167 /nfs/dbraw/zinc/18/31/67/378183167.db2.gz UPFREZTYKOVWDQ-MRXNPFEDSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@H+](CC3(C)CC3)C2)CC1 ZINC000579679729 378183171 /nfs/dbraw/zinc/18/31/71/378183171.db2.gz UPFREZTYKOVWDQ-MRXNPFEDSA-N 1 3 264.457 3.230 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000579679729 378183174 /nfs/dbraw/zinc/18/31/74/378183174.db2.gz UPFREZTYKOVWDQ-MRXNPFEDSA-N 1 3 264.457 3.230 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903819 378267210 /nfs/dbraw/zinc/26/72/10/378267210.db2.gz YAKQCZYSURKBQU-TUUVXOQKSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903819 378267213 /nfs/dbraw/zinc/26/72/13/378267213.db2.gz YAKQCZYSURKBQU-TUUVXOQKSA-N 1 3 278.827 3.446 20 0 CGADHO c1ccc2c(c1)cccc2CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580834539 378262625 /nfs/dbraw/zinc/26/26/25/378262625.db2.gz SVADNNOAUBUJPP-IBGZPJMESA-N 1 3 280.415 3.415 20 0 CGADHO c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000580834539 378262629 /nfs/dbraw/zinc/26/26/29/378262629.db2.gz SVADNNOAUBUJPP-IBGZPJMESA-N 1 3 280.415 3.415 20 0 CGADHO c1ccc2c(c1)cccc2C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000580834539 378262636 /nfs/dbraw/zinc/26/26/36/378262636.db2.gz SVADNNOAUBUJPP-IBGZPJMESA-N 1 3 280.415 3.415 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000582327895 378305166 /nfs/dbraw/zinc/30/51/66/378305166.db2.gz CDMVSAHLXKFIEB-CJNGLKHVSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000582327895 378305169 /nfs/dbraw/zinc/30/51/69/378305169.db2.gz CDMVSAHLXKFIEB-CJNGLKHVSA-N 1 3 280.843 3.420 20 0 CGADHO CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000582387713 378309390 /nfs/dbraw/zinc/30/93/90/378309390.db2.gz IYZUZGFHDRIIAF-YJBOKZPZSA-N 1 3 290.451 3.247 20 0 CGADHO CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000582387713 378309398 /nfs/dbraw/zinc/30/93/98/378309398.db2.gz IYZUZGFHDRIIAF-YJBOKZPZSA-N 1 3 290.451 3.247 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257491 378315402 /nfs/dbraw/zinc/31/54/02/378315402.db2.gz QFESTCXMWCCLFD-OALUTQOASA-N 1 3 295.430 3.498 20 0 CGADHO C[NH+](C)CCC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000271141932 378461755 /nfs/dbraw/zinc/46/17/55/378461755.db2.gz PJKUJJJGXOAJPZ-UHFFFAOYSA-N 1 3 297.446 3.399 20 0 CGADHO C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272252856 378595767 /nfs/dbraw/zinc/59/57/67/378595767.db2.gz YORKZKRLCWIIMJ-QFBILLFUSA-N 1 3 295.430 3.082 20 0 CGADHO CC(C)[NH2+]C1CCN(CC23CCC(CC2)C3)CC1 ZINC000347745830 378724704 /nfs/dbraw/zinc/72/47/04/378724704.db2.gz IMXGAPNSEBHCQL-UHFFFAOYSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccccc1C[N@@H+](CC[C@@H]1CCCN1C)C1CC1 ZINC000348070503 378775389 /nfs/dbraw/zinc/77/53/89/378775389.db2.gz JGGKSQVIPXGWFC-KRWDZBQOSA-N 1 3 272.436 3.444 20 0 CGADHO Cc1ccccc1C[N@H+](CC[C@@H]1CCCN1C)C1CC1 ZINC000348070503 378775393 /nfs/dbraw/zinc/77/53/93/378775393.db2.gz JGGKSQVIPXGWFC-KRWDZBQOSA-N 1 3 272.436 3.444 20 0 CGADHO CN1CC=C(C[NH2+]CCCC2CCCCC2)CC1 ZINC000348138440 378809961 /nfs/dbraw/zinc/80/99/61/378809961.db2.gz SVTJAFNUKQPCNR-UHFFFAOYSA-N 1 3 250.430 3.198 20 0 CGADHO CC(C)(C)N(Cc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346821477 218024975 /nfs/dbraw/zinc/02/49/75/218024975.db2.gz AELAUFNOHNJSLW-OAHLLOKOSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCNC1 ZINC000346821477 218024977 /nfs/dbraw/zinc/02/49/77/218024977.db2.gz AELAUFNOHNJSLW-OAHLLOKOSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)(C)[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCNC1 ZINC000346821477 218024979 /nfs/dbraw/zinc/02/49/79/218024979.db2.gz AELAUFNOHNJSLW-OAHLLOKOSA-N 1 3 278.415 3.426 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346850048 218036736 /nfs/dbraw/zinc/03/67/36/218036736.db2.gz PFUWVNBTNLOVRF-ZWKOTPCHSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346850048 218036737 /nfs/dbraw/zinc/03/67/37/218036737.db2.gz PFUWVNBTNLOVRF-ZWKOTPCHSA-N 1 3 272.436 3.002 20 0 CGADHO C([C@H]1CCCNC1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000346982347 218077643 /nfs/dbraw/zinc/07/76/43/218077643.db2.gz NNLFBUVHCXPEBR-INIZCTEOSA-N 1 3 264.457 3.422 20 0 CGADHO C([C@H]1CCCNC1)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000346982347 218077646 /nfs/dbraw/zinc/07/76/46/218077646.db2.gz NNLFBUVHCXPEBR-INIZCTEOSA-N 1 3 264.457 3.422 20 0 CGADHO Clc1ccc([C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990773 218081568 /nfs/dbraw/zinc/08/15/68/218081568.db2.gz SPXQCTCMXRLQAL-ZFWWWQNUSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346990773 218081570 /nfs/dbraw/zinc/08/15/70/218081570.db2.gz SPXQCTCMXRLQAL-ZFWWWQNUSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346990773 218081571 /nfs/dbraw/zinc/08/15/71/218081571.db2.gz SPXQCTCMXRLQAL-ZFWWWQNUSA-N 1 3 278.827 3.129 20 0 CGADHO Cc1cccc(C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000370119222 378985828 /nfs/dbraw/zinc/98/58/28/378985828.db2.gz DMBHUGBDAQMDIT-UHFFFAOYSA-N 1 3 258.409 3.102 20 0 CGADHO COc1ccc(CN(C)C2CC[NH2+]CC2)c2ccccc12 ZINC000347161953 218142223 /nfs/dbraw/zinc/14/22/23/218142223.db2.gz HWIAZCJSKCEAGZ-UHFFFAOYSA-N 1 3 284.403 3.032 20 0 CGADHO COc1ccc(C[N@H+](C)C2CCNCC2)c2ccccc12 ZINC000347161953 218142226 /nfs/dbraw/zinc/14/22/26/218142226.db2.gz HWIAZCJSKCEAGZ-UHFFFAOYSA-N 1 3 284.403 3.032 20 0 CGADHO COc1ccc(C[N@@H+](C)C2CCNCC2)c2ccccc12 ZINC000347161953 218142229 /nfs/dbraw/zinc/14/22/29/218142229.db2.gz HWIAZCJSKCEAGZ-UHFFFAOYSA-N 1 3 284.403 3.032 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370671710 379049853 /nfs/dbraw/zinc/04/98/53/379049853.db2.gz WWFHHOQODRXWLJ-HZSPNIEDSA-N 1 3 270.486 3.123 20 0 CGADHO C[C@H](CSC(C)(C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370671710 379049860 /nfs/dbraw/zinc/04/98/60/379049860.db2.gz WWFHHOQODRXWLJ-HZSPNIEDSA-N 1 3 270.486 3.123 20 0 CGADHO Cc1ccccc1OCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277070807 379061152 /nfs/dbraw/zinc/06/11/52/379061152.db2.gz DQZWFCNNOJXSMJ-QGZVFWFLSA-N 1 3 290.451 3.180 20 0 CGADHO Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277070807 379061159 /nfs/dbraw/zinc/06/11/59/379061159.db2.gz DQZWFCNNOJXSMJ-QGZVFWFLSA-N 1 3 290.451 3.180 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000568049030 322189729 /nfs/dbraw/zinc/18/97/29/322189729.db2.gz KCDBOZKJROTNLV-XHSDSOJGSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277184442 379093773 /nfs/dbraw/zinc/09/37/73/379093773.db2.gz LLECZORWAPXLSI-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277184442 379093777 /nfs/dbraw/zinc/09/37/77/379093777.db2.gz LLECZORWAPXLSI-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(C)c(OC)c1 ZINC000349382586 379262142 /nfs/dbraw/zinc/26/21/42/379262142.db2.gz JTADMEJJWGUWHE-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(C)c(OC)c1 ZINC000349382586 379262146 /nfs/dbraw/zinc/26/21/46/379262146.db2.gz JTADMEJJWGUWHE-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(F)c1 ZINC000373523387 379292985 /nfs/dbraw/zinc/29/29/85/379292985.db2.gz PFPRABIYQOVEGX-IGEOTXOUSA-N 1 3 276.399 3.493 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(C)s1 ZINC000349664476 379336259 /nfs/dbraw/zinc/33/62/59/379336259.db2.gz LTOVDNQJCGWZIN-AWEZNQCLSA-N 1 3 284.469 3.066 20 0 CGADHO C1=CC[C@H](C[NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000349803417 379392384 /nfs/dbraw/zinc/39/23/84/379392384.db2.gz OGPXTBCZOKLCCW-INIZCTEOSA-N 1 3 262.441 3.293 20 0 CGADHO C1=CC[C@H](CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000349803417 379392389 /nfs/dbraw/zinc/39/23/89/379392389.db2.gz OGPXTBCZOKLCCW-INIZCTEOSA-N 1 3 262.441 3.293 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510243 379442597 /nfs/dbraw/zinc/44/25/97/379442597.db2.gz ZHGLPJAOZIQORY-RDJZCZTQSA-N 1 3 289.467 3.311 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639510243 379442603 /nfs/dbraw/zinc/44/26/03/379442603.db2.gz ZHGLPJAOZIQORY-RDJZCZTQSA-N 1 3 289.467 3.311 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534014 379457381 /nfs/dbraw/zinc/45/73/81/379457381.db2.gz SVSMNVFEZJGMPI-KSSFIOAISA-N 1 3 289.467 3.169 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000639534014 379457384 /nfs/dbraw/zinc/45/73/84/379457384.db2.gz SVSMNVFEZJGMPI-KSSFIOAISA-N 1 3 289.467 3.169 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757315 379572667 /nfs/dbraw/zinc/57/26/67/379572667.db2.gz FVEFQCUJRLGPFI-CYBMUJFWSA-N 1 3 294.389 3.444 20 0 CGADHO CC1(F)CCN(C/C=C\C[NH+]2CCC(C)(F)CC2)CC1 ZINC000640071871 379712255 /nfs/dbraw/zinc/71/22/55/379712255.db2.gz SUXDKCCPVKUNDT-ARJAWSKDSA-N 1 3 286.410 3.191 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(OCC2CC2)cc1 ZINC000352541338 379848515 /nfs/dbraw/zinc/84/85/15/379848515.db2.gz WSJRSTDOBFIJJX-QGZVFWFLSA-N 1 3 288.435 3.179 20 0 CGADHO C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)[C@@H]1CCCN1 ZINC000400340188 379949590 /nfs/dbraw/zinc/94/95/90/379949590.db2.gz HDXYITWTXOIXDK-LTDKPHRXSA-N 1 3 272.436 3.443 20 0 CGADHO CCC[NH+]1CCC(CNCc2ccc(SC)o2)CC1 ZINC000641715785 380057467 /nfs/dbraw/zinc/05/74/67/380057467.db2.gz BCRJXGWXRXFVTD-UHFFFAOYSA-N 1 3 282.453 3.213 20 0 CGADHO CC(C)(C)CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000410377628 380090281 /nfs/dbraw/zinc/09/02/81/380090281.db2.gz DXYGSXGDPHBBAU-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)(C)CCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000410377628 380090289 /nfs/dbraw/zinc/09/02/89/380090289.db2.gz DXYGSXGDPHBBAU-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)(C)CCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000410377628 380090296 /nfs/dbraw/zinc/09/02/96/380090296.db2.gz DXYGSXGDPHBBAU-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000642341880 380167753 /nfs/dbraw/zinc/16/77/53/380167753.db2.gz OJRPXAIQURDEAC-KRWDZBQOSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000642341880 380167759 /nfs/dbraw/zinc/16/77/59/380167759.db2.gz OJRPXAIQURDEAC-KRWDZBQOSA-N 1 3 272.436 3.213 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000642341880 380167768 /nfs/dbraw/zinc/16/77/68/380167768.db2.gz OJRPXAIQURDEAC-KRWDZBQOSA-N 1 3 272.436 3.213 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643031673 380205071 /nfs/dbraw/zinc/20/50/71/380205071.db2.gz VBPWSYQHDZRFQL-GOEBONIOSA-N 1 3 281.403 3.040 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643031860 380205917 /nfs/dbraw/zinc/20/59/17/380205917.db2.gz YNSOGFLBGRVXOP-QAPCUYQASA-N 1 3 295.430 3.376 20 0 CGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(C)c1 ZINC000286347581 380200172 /nfs/dbraw/zinc/20/01/72/380200172.db2.gz ZDDSVWSOMLETMU-QGZVFWFLSA-N 1 3 258.409 3.298 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000353928879 380240877 /nfs/dbraw/zinc/24/08/77/380240877.db2.gz MCUQYVBKQYEQGQ-INIZCTEOSA-N 1 3 292.471 3.208 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000353928879 380240878 /nfs/dbraw/zinc/24/08/78/380240878.db2.gz MCUQYVBKQYEQGQ-INIZCTEOSA-N 1 3 292.471 3.208 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCCc3ccccc3C2)CCCCC1 ZINC000643496680 380320781 /nfs/dbraw/zinc/32/07/81/380320781.db2.gz WFQDJZINQWLOOA-QGZVFWFLSA-N 1 3 272.436 3.185 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@@H]1CCCCN1 ZINC000643502704 380326358 /nfs/dbraw/zinc/32/63/58/380326358.db2.gz OKUIGUFVCGHEJP-SUMWQHHRSA-N 1 3 283.419 3.277 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000643512060 380334361 /nfs/dbraw/zinc/33/43/61/380334361.db2.gz GHVDLYGTCHBFGS-AMKSKSKJSA-N 1 3 280.362 3.059 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457457 380310144 /nfs/dbraw/zinc/31/01/44/380310144.db2.gz CYUVSTTZQLYNPV-MNOVXSKESA-N 1 3 279.815 3.079 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCNC1 ZINC000643459417 380311814 /nfs/dbraw/zinc/31/18/14/380311814.db2.gz CKWHNAPHCMQPPD-CRWXNKLISA-N 1 3 292.389 3.333 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1cccc(Br)c1 ZINC000643469267 380316023 /nfs/dbraw/zinc/31/60/23/380316023.db2.gz FSTJYJTUTYBJTH-NEPJUHHUSA-N 1 3 299.256 3.097 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1cccc(Br)c1 ZINC000643469267 380316028 /nfs/dbraw/zinc/31/60/28/380316028.db2.gz FSTJYJTUTYBJTH-NEPJUHHUSA-N 1 3 299.256 3.097 20 0 CGADHO CC(C)N(CCC[NH3+])Cc1cccc(Br)c1 ZINC000414677143 380367245 /nfs/dbraw/zinc/36/72/45/380367245.db2.gz ONLIBAQLYGQWJG-UHFFFAOYSA-N 1 3 285.229 3.008 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@@H](N)CC(C)C ZINC000414730231 380389378 /nfs/dbraw/zinc/38/93/78/380389378.db2.gz AJOMIGWSEXWBFH-WWGRRREGSA-N 1 3 298.858 3.379 20 0 CGADHO C[C@H](CN(C)CCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000414746078 380391225 /nfs/dbraw/zinc/39/12/25/380391225.db2.gz QCBYEMASUJHLSC-SNVBAGLBSA-N 1 3 291.222 3.041 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000643524035 380340833 /nfs/dbraw/zinc/34/08/33/380340833.db2.gz AUXYUDVOQPNKPQ-JKJDWNRSSA-N 1 3 252.446 3.307 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000643525796 380341017 /nfs/dbraw/zinc/34/10/17/380341017.db2.gz JJMJCIYFMNVXAX-QCODTGAPSA-N 1 3 252.446 3.177 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](CC2CC2)c2ccccc2)C1 ZINC000643523922 380341110 /nfs/dbraw/zinc/34/11/10/380341110.db2.gz OFTJCKCJZYPKGH-BRWVUGGUSA-N 1 3 258.409 3.387 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000643528526 380344665 /nfs/dbraw/zinc/34/46/65/380344665.db2.gz KQKRRNRHCPCUTG-NXEZZACHSA-N 1 3 274.380 3.042 20 0 CGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H](C)N ZINC000643528864 380344694 /nfs/dbraw/zinc/34/46/94/380344694.db2.gz QGKNOVWKMDOZDT-VXGBXAGGSA-N 1 3 289.448 3.425 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414655663 380355212 /nfs/dbraw/zinc/35/52/12/380355212.db2.gz DSXPCNIAPBOIDC-CIRFHOKZSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414655663 380355221 /nfs/dbraw/zinc/35/52/21/380355221.db2.gz DSXPCNIAPBOIDC-CIRFHOKZSA-N 1 3 272.436 3.166 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccnc1 ZINC000643547278 380361908 /nfs/dbraw/zinc/36/19/08/380361908.db2.gz CCBUYWUXKOAYAN-CVEARBPZSA-N 1 3 273.424 3.043 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc2ccccc2c1 ZINC000414814595 380425741 /nfs/dbraw/zinc/42/57/41/380425741.db2.gz ZIZXMEVUQZMELU-QZTJIDSGSA-N 1 3 268.404 3.447 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414819007 380429992 /nfs/dbraw/zinc/42/99/92/380429992.db2.gz GKOJWQLPXGEZOE-BHYGNILZSA-N 1 3 260.425 3.430 20 0 CGADHO CC(C)C[C@H](CN)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414838399 380445603 /nfs/dbraw/zinc/44/56/03/380445603.db2.gz KRQOLFATUYVGRJ-CQSZACIVSA-N 1 3 289.448 3.273 20 0 CGADHO [NH3+]C1(CN[C@H]2Cc3ccc(Cl)cc3C2)CCCCC1 ZINC000414838597 380446443 /nfs/dbraw/zinc/44/64/43/380446443.db2.gz IJHLAAOPNBLKJS-HNNXBMFYSA-N 1 3 278.827 3.058 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc2ccccc2o1 ZINC000414798043 380410432 /nfs/dbraw/zinc/41/04/32/380410432.db2.gz IYWHWEIZCHPRDY-DZGCQCFKSA-N 1 3 258.365 3.040 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NCC(C)(C)[NH3+])cc1 ZINC000414802038 380414512 /nfs/dbraw/zinc/41/45/12/380414512.db2.gz JVMPBDOIXDSUAE-IRXDYDNUSA-N 1 3 290.451 3.437 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414805423 380418245 /nfs/dbraw/zinc/41/82/45/380418245.db2.gz YLJYUPPPUNNZDW-BZUAXINKSA-N 1 3 264.388 3.035 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414811343 380422556 /nfs/dbraw/zinc/42/25/56/380422556.db2.gz ZKIBTMHULMOMKE-JSGCOSHPSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414904913 380484646 /nfs/dbraw/zinc/48/46/46/380484646.db2.gz MTNMDCVAELMDAD-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000414931109 380494297 /nfs/dbraw/zinc/49/42/97/380494297.db2.gz UCDXQHRXPRYNTN-BBWFWOEESA-N 1 3 260.425 3.286 20 0 CGADHO CCCCOc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414940421 380498635 /nfs/dbraw/zinc/49/86/35/380498635.db2.gz KKFCFKFHAFUXTL-UHFFFAOYSA-N 1 3 276.424 3.097 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414944711 380500317 /nfs/dbraw/zinc/50/03/17/380500317.db2.gz QGUGPHUYBBVKAH-ZTRSQXPZSA-N 1 3 286.463 3.475 20 0 CGADHO [NH3+]C1(CN[C@H]2Cc3ccc(Cl)cc3C2)CCCCCC1 ZINC000414858464 380460621 /nfs/dbraw/zinc/46/06/21/380460621.db2.gz JMZITPABYYJXPP-INIZCTEOSA-N 1 3 292.854 3.449 20 0 CGADHO CNCCC[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414860103 380462086 /nfs/dbraw/zinc/46/20/86/380462086.db2.gz OEPXROGCTWNOAZ-UHFFFAOYSA-N 1 3 260.425 3.086 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(Oc2cccc(F)c2)cc1 ZINC000414874070 380468921 /nfs/dbraw/zinc/46/89/21/380468921.db2.gz HYYLMDBACDXVGY-ZDUSSCGKSA-N 1 3 288.366 3.302 20 0 CGADHO COc1cc(-c2ccccc2)ccc1CNCCCC[NH3+] ZINC000414897718 380477234 /nfs/dbraw/zinc/47/72/34/380477234.db2.gz CJKZBWJLSNWTKP-UHFFFAOYSA-N 1 3 284.403 3.191 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1COC(C)(C)C1 ZINC000417956580 380688143 /nfs/dbraw/zinc/68/81/43/380688143.db2.gz ATMGNWLAIIFOQA-KRWDZBQOSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1COC(C)(C)C1 ZINC000417956580 380688147 /nfs/dbraw/zinc/68/81/47/380688147.db2.gz ATMGNWLAIIFOQA-KRWDZBQOSA-N 1 3 290.451 3.184 20 0 CGADHO Cc1ccsc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334869064 207214467 /nfs/dbraw/zinc/21/44/67/207214467.db2.gz OKKGBWBHKNDVLZ-KBPBESRZSA-N 1 3 264.438 3.021 20 0 CGADHO c1cnc2ccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2c1 ZINC000334866679 207213416 /nfs/dbraw/zinc/21/34/16/207213416.db2.gz BPPXPJYHAMKKEL-MJGOQNOKSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127238 382334724 /nfs/dbraw/zinc/33/47/24/382334724.db2.gz RILJVDPSHXOIFG-GBBGEASQSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127238 382334728 /nfs/dbraw/zinc/33/47/28/382334728.db2.gz RILJVDPSHXOIFG-GBBGEASQSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127238 382334731 /nfs/dbraw/zinc/33/47/31/382334731.db2.gz RILJVDPSHXOIFG-GBBGEASQSA-N 1 3 284.447 3.395 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000368752911 382382035 /nfs/dbraw/zinc/38/20/35/382382035.db2.gz FSHXGMDFJDWCPU-OTWHNJEPSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368752911 382382038 /nfs/dbraw/zinc/38/20/38/382382038.db2.gz FSHXGMDFJDWCPU-OTWHNJEPSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368752911 382382043 /nfs/dbraw/zinc/38/20/43/382382043.db2.gz FSHXGMDFJDWCPU-OTWHNJEPSA-N 1 3 286.463 3.470 20 0 CGADHO COc1ccccc1[C@@H](NC[C@@H](C)C[NH3+])C1CCCC1 ZINC000423302825 532980449 /nfs/dbraw/zinc/98/04/49/532980449.db2.gz VZOGZBADRVRWHE-GUYCJALGSA-N 1 3 276.424 3.111 20 0 CGADHO COc1ccccc1[C@H]([NH2+][C@@H](C)[C@H](C)N)C1CCCC1 ZINC000423437136 533021311 /nfs/dbraw/zinc/02/13/11/533021311.db2.gz GCVRXSXHPHWWKE-GDZNZVCISA-N 1 3 276.424 3.252 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1cccc(C)c1 ZINC000349659859 218898354 /nfs/dbraw/zinc/89/83/54/218898354.db2.gz AHUCYBDUIWJBEE-MRXNPFEDSA-N 1 3 278.440 3.004 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745336 220294566 /nfs/dbraw/zinc/29/45/66/220294566.db2.gz JCFIHWPFSFKPIL-HNAYVOBHSA-N 1 3 286.463 3.337 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)CCC3)[C@@H](C)C1 ZINC000353745336 220294572 /nfs/dbraw/zinc/29/45/72/220294572.db2.gz JCFIHWPFSFKPIL-HNAYVOBHSA-N 1 3 286.463 3.337 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000350225330 219001055 /nfs/dbraw/zinc/00/10/55/219001055.db2.gz XQVJJJYHCYVPKQ-CZUORRHYSA-N 1 3 276.424 3.177 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000305108766 542416788 /nfs/dbraw/zinc/41/67/88/542416788.db2.gz DXEIDGJUUCHUPE-JQHSSLGASA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000305108766 542416791 /nfs/dbraw/zinc/41/67/91/542416791.db2.gz DXEIDGJUUCHUPE-JQHSSLGASA-N 1 3 296.499 3.026 20 0 CGADHO COc1ccc([C@H]2CCCC[C@H]2NCC(C)(C)[NH3+])cc1F ZINC000423286892 533201641 /nfs/dbraw/zinc/20/16/41/533201641.db2.gz JHXDKJYPWJLYFV-UKRRQHHQSA-N 1 3 294.414 3.187 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348099721 542514155 /nfs/dbraw/zinc/51/41/55/542514155.db2.gz DWYKZDAPCKEASV-IAGOWNOFSA-N 1 3 258.409 3.026 20 0 CGADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cccc(F)c1F ZINC000423476613 533389104 /nfs/dbraw/zinc/38/91/04/533389104.db2.gz JCCUPNFVCIXFOD-NEPJUHHUSA-N 1 3 268.351 3.148 20 0 CGADHO C[C@@H]([NH2+]CCC1(C)CC1)c1cccc(OCCN(C)C)c1 ZINC000358983690 533374742 /nfs/dbraw/zinc/37/47/42/533374742.db2.gz KPVHLBPVUVJOAU-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000414794871 533513106 /nfs/dbraw/zinc/51/31/06/533513106.db2.gz GAHAASSFINDYGA-QILLFSRXSA-N 1 3 290.451 3.123 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC000380500559 542595265 /nfs/dbraw/zinc/59/52/65/542595265.db2.gz XSEUSSWHXGFVGI-WMZOPIPTSA-N 1 3 270.420 3.125 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC000380500559 542595269 /nfs/dbraw/zinc/59/52/69/542595269.db2.gz XSEUSSWHXGFVGI-WMZOPIPTSA-N 1 3 270.420 3.125 20 0 CGADHO C[C@H](N[C@H]1CCCC12CCCCC2)[C@@H]1CCC[NH2+]1 ZINC000400428034 542622895 /nfs/dbraw/zinc/62/28/95/542622895.db2.gz ZDSDXPSUBWOMBA-KKUMJFAQSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CCCN1 ZINC000400428034 542622897 /nfs/dbraw/zinc/62/28/97/542622897.db2.gz ZDSDXPSUBWOMBA-KKUMJFAQSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)c1 ZINC000414934126 542640475 /nfs/dbraw/zinc/64/04/75/542640475.db2.gz XSSPMXYPUGPHOH-USXIJHARSA-N 1 3 260.425 3.176 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414927316 542640981 /nfs/dbraw/zinc/64/09/81/542640981.db2.gz OXYSGFQUPSZRGI-AEGPPILISA-N 1 3 278.465 3.199 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414927316 542640985 /nfs/dbraw/zinc/64/09/85/542640985.db2.gz OXYSGFQUPSZRGI-AEGPPILISA-N 1 3 278.465 3.199 20 0 CGADHO Cc1cc(C[NH2+]CCCN2CCCCC2)c(C)s1 ZINC000049685157 392056478 /nfs/dbraw/zinc/05/64/78/392056478.db2.gz OFEUJACHUVMAGA-UHFFFAOYSA-N 1 3 266.454 3.331 20 0 CGADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000070092149 392177088 /nfs/dbraw/zinc/17/70/88/392177088.db2.gz JUYDKTDJOVJNOV-TZMCWYRMSA-N 1 3 266.454 3.439 20 0 CGADHO CC(C)[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821452 392232255 /nfs/dbraw/zinc/23/22/55/392232255.db2.gz KKXHZLBBTADVTE-UHFFFAOYSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821452 392232261 /nfs/dbraw/zinc/23/22/61/392232261.db2.gz KKXHZLBBTADVTE-UHFFFAOYSA-N 1 3 261.413 3.028 20 0 CGADHO CC/C=C\CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453326504 542681449 /nfs/dbraw/zinc/68/14/49/542681449.db2.gz SGXUSWXDKQTWMM-YFKBFVAJSA-N 1 3 258.409 3.378 20 0 CGADHO CC/C=C\CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453326504 542681453 /nfs/dbraw/zinc/68/14/53/542681453.db2.gz SGXUSWXDKQTWMM-YFKBFVAJSA-N 1 3 258.409 3.378 20 0 CGADHO CC1(C)CC([NH2+]C2CCC3(CCCO3)CC2)CC(C)(C)N1 ZINC000364945390 392441114 /nfs/dbraw/zinc/44/11/14/392441114.db2.gz DAWOUEATKIVIHX-UHFFFAOYSA-N 1 3 294.483 3.377 20 0 CGADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCCS1 ZINC000158141002 392556118 /nfs/dbraw/zinc/55/61/18/392556118.db2.gz BCXCWFVVKLAXJN-JONQDZQNSA-N 1 3 282.497 3.173 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCCCS1 ZINC000158141002 392556122 /nfs/dbraw/zinc/55/61/22/392556122.db2.gz BCXCWFVVKLAXJN-JONQDZQNSA-N 1 3 282.497 3.173 20 0 CGADHO CCC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000163224557 392602291 /nfs/dbraw/zinc/60/22/91/392602291.db2.gz GUTMZMCBGMCUIY-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224557 392602296 /nfs/dbraw/zinc/60/22/96/392602296.db2.gz GUTMZMCBGMCUIY-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000163224557 392602300 /nfs/dbraw/zinc/60/23/00/392602300.db2.gz GUTMZMCBGMCUIY-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)s1 ZINC000163220739 392602403 /nfs/dbraw/zinc/60/24/03/392602403.db2.gz DSTINDWHTDSNHM-DGCLKSJQSA-N 1 3 281.469 3.006 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1cccc(OC)c1 ZINC000163232643 392602789 /nfs/dbraw/zinc/60/27/89/392602789.db2.gz QYMFFOJYHJNZSI-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232643 392602791 /nfs/dbraw/zinc/60/27/91/392602791.db2.gz QYMFFOJYHJNZSI-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(OC)c1 ZINC000163232643 392602793 /nfs/dbraw/zinc/60/27/93/392602793.db2.gz QYMFFOJYHJNZSI-PBHICJAKSA-N 1 3 276.424 3.078 20 0 CGADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCN(CC)C1)CCC2 ZINC000163265281 392604938 /nfs/dbraw/zinc/60/49/38/392604938.db2.gz WBWHLHBOHQYVNR-CHWSQXEVSA-N 1 3 293.480 3.014 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@@H+]1C ZINC000166393374 392608206 /nfs/dbraw/zinc/60/82/06/392608206.db2.gz IAUWAJQRCDQRFA-GRDNDAEWSA-N 1 3 272.436 3.481 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccccc32)CC[N@H+]1C ZINC000166393374 392608212 /nfs/dbraw/zinc/60/82/12/392608212.db2.gz IAUWAJQRCDQRFA-GRDNDAEWSA-N 1 3 272.436 3.481 20 0 CGADHO CC(C)C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000647288713 392639542 /nfs/dbraw/zinc/63/95/42/392639542.db2.gz LTDRHQPSTKUDDP-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288713 392639544 /nfs/dbraw/zinc/63/95/44/392639544.db2.gz LTDRHQPSTKUDDP-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO c1ccc(O[C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000372898834 392645567 /nfs/dbraw/zinc/64/55/67/392645567.db2.gz WUEJHXYSALXCOT-GOSISDBHSA-N 1 3 288.435 3.016 20 0 CGADHO c1ccc(O[C@@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000372898834 392645569 /nfs/dbraw/zinc/64/55/69/392645569.db2.gz WUEJHXYSALXCOT-GOSISDBHSA-N 1 3 288.435 3.016 20 0 CGADHO CC(C)(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479357 392735301 /nfs/dbraw/zinc/73/53/01/392735301.db2.gz DITLJAFGLPEFLG-AEFFLSMTSA-N 1 3 286.463 3.428 20 0 CGADHO Cc1cc(C[N@H+](C2CC2)C2CCNCC2)cc2cccnc12 ZINC000647482482 392737230 /nfs/dbraw/zinc/73/72/30/392737230.db2.gz IVIWLNUFSWNZOQ-UHFFFAOYSA-N 1 3 295.430 3.260 20 0 CGADHO Cc1cc(C[N@@H+](C2CC2)C2CCNCC2)cc2cccnc12 ZINC000647482482 392737234 /nfs/dbraw/zinc/73/72/34/392737234.db2.gz IVIWLNUFSWNZOQ-UHFFFAOYSA-N 1 3 295.430 3.260 20 0 CGADHO COc1c(C)cc(C[N@H+](C2CC2)C2CCNCC2)cc1C ZINC000647482913 392737796 /nfs/dbraw/zinc/73/77/96/392737796.db2.gz JFRZQNKEOBLEMZ-UHFFFAOYSA-N 1 3 288.435 3.028 20 0 CGADHO COc1c(C)cc(C[N@@H+](C2CC2)C2CCNCC2)cc1C ZINC000647482913 392737806 /nfs/dbraw/zinc/73/78/06/392737806.db2.gz JFRZQNKEOBLEMZ-UHFFFAOYSA-N 1 3 288.435 3.028 20 0 CGADHO CNC[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000647485288 392738839 /nfs/dbraw/zinc/73/88/39/392738839.db2.gz MEWOGGZGXGSIFF-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000647485288 392738842 /nfs/dbraw/zinc/73/88/42/392738842.db2.gz MEWOGGZGXGSIFF-GJZGRUSLSA-N 1 3 252.446 3.134 20 0 CGADHO c1ccc2c(c1)ccnc2CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647483199 392739133 /nfs/dbraw/zinc/73/91/33/392739133.db2.gz BGZRRYZZFMOAAZ-GOSISDBHSA-N 1 3 295.430 3.199 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@@H]1N ZINC000647498263 392742584 /nfs/dbraw/zinc/74/25/84/392742584.db2.gz DHUBAMACWOOYBM-KFWWJZLASA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CC[C@@H]1N ZINC000647498263 392742587 /nfs/dbraw/zinc/74/25/87/392742587.db2.gz DHUBAMACWOOYBM-KFWWJZLASA-N 1 3 252.446 3.262 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000647543845 392759892 /nfs/dbraw/zinc/75/98/92/392759892.db2.gz SUMMCEFSSNDDOR-CABCVRRESA-N 1 3 294.389 3.176 20 0 CGADHO Fc1cc(F)cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543784 392760794 /nfs/dbraw/zinc/76/07/94/392760794.db2.gz RYUNEGRGAHEIQR-LSDHHAIUSA-N 1 3 294.389 3.176 20 0 CGADHO CC[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000647936950 392837664 /nfs/dbraw/zinc/83/76/64/392837664.db2.gz NZNGBHMWLOXYLF-LPHOPBHVSA-N 1 3 282.431 3.442 20 0 CGADHO CC[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000647936950 392837667 /nfs/dbraw/zinc/83/76/67/392837667.db2.gz NZNGBHMWLOXYLF-LPHOPBHVSA-N 1 3 282.431 3.442 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccnc1 ZINC000185650525 392773882 /nfs/dbraw/zinc/77/38/82/392773882.db2.gz JEQVWEJNLSAXOK-ULQDDVLXSA-N 1 3 275.440 3.385 20 0 CGADHO C[NH+](C)C1CCC(N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000335623275 392803235 /nfs/dbraw/zinc/80/32/35/392803235.db2.gz YINCXQDZYGMCOK-ZEPSKSRBSA-N 1 3 294.389 3.415 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000510860779 392818230 /nfs/dbraw/zinc/81/82/30/392818230.db2.gz UGMOYNWLLNRMDR-CRAIPNDOSA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000510860779 392818233 /nfs/dbraw/zinc/81/82/33/392818233.db2.gz UGMOYNWLLNRMDR-CRAIPNDOSA-N 1 3 290.451 3.151 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000647957087 392843665 /nfs/dbraw/zinc/84/36/65/392843665.db2.gz MSYGXTDOKNPYEL-ZWKOTPCHSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000647957087 392843672 /nfs/dbraw/zinc/84/36/72/392843672.db2.gz MSYGXTDOKNPYEL-ZWKOTPCHSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957087 392843678 /nfs/dbraw/zinc/84/36/78/392843678.db2.gz MSYGXTDOKNPYEL-ZWKOTPCHSA-N 1 3 270.420 3.140 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)N(CC)C[C@@H]1CC[NH2+]C1 ZINC000647889320 392826515 /nfs/dbraw/zinc/82/65/15/392826515.db2.gz GAIHOTSIHKQTSI-MSOLQXFVSA-N 1 3 274.452 3.248 20 0 CGADHO C(CC1CC[NH2+]CC1)CN1CCS[C@H]2CCCC[C@H]21 ZINC000647889401 392827156 /nfs/dbraw/zinc/82/71/56/392827156.db2.gz NIOBKUWNPXBZRT-CVEARBPZSA-N 1 3 282.497 3.126 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CCC(C)([NH3+])CC2)c(C)c1 ZINC000647924834 392834197 /nfs/dbraw/zinc/83/41/97/392834197.db2.gz OCJRJGDRBBLWAA-HNNXBMFYSA-N 1 3 260.425 3.486 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)CN1CCCC1 ZINC000338000207 392895265 /nfs/dbraw/zinc/89/52/65/392895265.db2.gz VARDAMGUBCBTGS-BZUAXINKSA-N 1 3 270.436 3.226 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000337998520 392895933 /nfs/dbraw/zinc/89/59/33/392895933.db2.gz NVAPBMKLCFLBLG-FZKCQIBNSA-N 1 3 268.420 3.121 20 0 CGADHO C[C@@H]1COCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000376062572 392859344 /nfs/dbraw/zinc/85/93/44/392859344.db2.gz SZCUFLQENAMWBN-CVEARBPZSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)Cc1ccc(Cl)cc1 ZINC000520393147 392922491 /nfs/dbraw/zinc/92/24/91/392922491.db2.gz HNXFWPBIZCVAJK-ZDUSSCGKSA-N 1 3 268.832 3.249 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338790892 392928962 /nfs/dbraw/zinc/92/89/62/392928962.db2.gz JIHRFMLEDBNFBV-QGTPRVQTSA-N 1 3 270.420 3.030 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000194855789 392941759 /nfs/dbraw/zinc/94/17/59/392941759.db2.gz ZQSNQOGHTXERFL-UONOGXRCSA-N 1 3 278.465 3.401 20 0 CGADHO CC(C)(C)c1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000232508444 393026323 /nfs/dbraw/zinc/02/63/23/393026323.db2.gz VPAPXXDHURGJFT-KRWDZBQOSA-N 1 3 260.425 3.155 20 0 CGADHO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000232508444 393026331 /nfs/dbraw/zinc/02/63/31/393026331.db2.gz VPAPXXDHURGJFT-KRWDZBQOSA-N 1 3 260.425 3.155 20 0 CGADHO CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000232508444 393026334 /nfs/dbraw/zinc/02/63/34/393026334.db2.gz VPAPXXDHURGJFT-KRWDZBQOSA-N 1 3 260.425 3.155 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000415003353 393087451 /nfs/dbraw/zinc/08/74/51/393087451.db2.gz FVMJXYQKSGIDSS-VXGBXAGGSA-N 1 3 260.406 3.240 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1ccc(F)cc1Cl ZINC000415010310 393093930 /nfs/dbraw/zinc/09/39/30/393093930.db2.gz GFGWILUPGSYBMS-JTQLQIEISA-N 1 3 258.768 3.086 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1csc(-c2ccco2)n1 ZINC000415012126 393094853 /nfs/dbraw/zinc/09/48/53/393094853.db2.gz IQXFRMUMTZGHIC-LLVKDONJSA-N 1 3 279.409 3.010 20 0 CGADHO Cc1cc(C[NH2+][C@@H](C)[C@H](C)N)ccc1Oc1cccnc1 ZINC000415011970 393095457 /nfs/dbraw/zinc/09/54/57/393095457.db2.gz RRAXKWTUCIJRQA-KBPBESRZSA-N 1 3 285.391 3.008 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1csc(-c2cccs2)n1 ZINC000415013839 393097325 /nfs/dbraw/zinc/09/73/25/393097325.db2.gz LFMKZOMYQNMDSE-NSHDSACASA-N 1 3 295.477 3.479 20 0 CGADHO Cc1cc(Br)c(CN[C@@H](C)CCC[NH3+])s1 ZINC000415017803 393098616 /nfs/dbraw/zinc/09/86/16/393098616.db2.gz GDHAMKOCWWRPJJ-QMMMGPOBSA-N 1 3 291.258 3.036 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(Cl)c2Cl)C1 ZINC000415035605 393106442 /nfs/dbraw/zinc/10/64/42/393106442.db2.gz KXVXLGNAFFPIJQ-IONNQARKSA-N 1 3 279.236 3.272 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000414922522 393058424 /nfs/dbraw/zinc/05/84/24/393058424.db2.gz HFKLXISUHUOPNQ-DLBZAZTESA-N 1 3 260.425 3.212 20 0 CGADHO CC(C)c1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414922522 393058427 /nfs/dbraw/zinc/05/84/27/393058427.db2.gz HFKLXISUHUOPNQ-DLBZAZTESA-N 1 3 260.425 3.212 20 0 CGADHO c1nc(C2CCC2)sc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414961591 393066740 /nfs/dbraw/zinc/06/67/40/393066740.db2.gz BGMBLJRZBBDNHR-CYBMUJFWSA-N 1 3 279.453 3.032 20 0 CGADHO CCCc1cccc(C[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000414976021 393075155 /nfs/dbraw/zinc/07/51/55/393075155.db2.gz PKFUUEVLEQCROO-MRXNPFEDSA-N 1 3 260.425 3.117 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000414981180 393076987 /nfs/dbraw/zinc/07/69/87/393076987.db2.gz QMTFUCALDDXBKN-LBPRGKRZSA-N 1 3 278.396 3.381 20 0 CGADHO [NH3+]CCC[C@H](NCc1cc(O)cc(F)c1)c1ccccc1 ZINC000415045391 393110919 /nfs/dbraw/zinc/11/09/19/393110919.db2.gz BPPVQPDISSNWOQ-KRWDZBQOSA-N 1 3 288.366 3.101 20 0 CGADHO Fc1ccc([C@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415069177 393128828 /nfs/dbraw/zinc/12/88/28/393128828.db2.gz OFWGVTNPARGPGL-IAGOWNOFSA-N 1 3 276.399 3.194 20 0 CGADHO c1ccc(-c2ccccc2OCC[NH2+]C2CCNCC2)cc1 ZINC000415077478 393132392 /nfs/dbraw/zinc/13/23/92/393132392.db2.gz FGUYTUDPJMVSJV-UHFFFAOYSA-N 1 3 296.414 3.074 20 0 CGADHO C[C@@H](NCCc1cccc(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000415082647 393136059 /nfs/dbraw/zinc/13/60/59/393136059.db2.gz DMBFJLGBNJBQGD-UZLBHIALSA-N 1 3 294.442 3.484 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(-c2ccccc2)cc1 ZINC000258869058 393138300 /nfs/dbraw/zinc/13/83/00/393138300.db2.gz ZMXHNTLURVUWPL-CQSZACIVSA-N 1 3 254.377 3.038 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]C(C)(C)C2CCC2)cc1 ZINC000648745597 393233567 /nfs/dbraw/zinc/23/35/67/393233567.db2.gz IVBBQZTWADYQAR-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO CCc1cccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000469729052 393210010 /nfs/dbraw/zinc/21/00/10/393210010.db2.gz NWTVHJCSOGILNX-MAUKXSAKSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1cccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000469729052 393210017 /nfs/dbraw/zinc/21/00/17/393210017.db2.gz NWTVHJCSOGILNX-MAUKXSAKSA-N 1 3 274.452 3.411 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000277225666 393306026 /nfs/dbraw/zinc/30/60/26/393306026.db2.gz OHWJZNJEGBPYKF-QGZVFWFLSA-N 1 3 260.425 3.035 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000277225666 393306033 /nfs/dbraw/zinc/30/60/33/393306033.db2.gz OHWJZNJEGBPYKF-QGZVFWFLSA-N 1 3 260.425 3.035 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCCc2ccccc2)CC1 ZINC000277225666 393306037 /nfs/dbraw/zinc/30/60/37/393306037.db2.gz OHWJZNJEGBPYKF-QGZVFWFLSA-N 1 3 260.425 3.035 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000356233641 393391133 /nfs/dbraw/zinc/39/11/33/393391133.db2.gz RMHAGYSOZPSAFX-DOTOQJQBSA-N 1 3 294.483 3.021 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000474879067 393354337 /nfs/dbraw/zinc/35/43/37/393354337.db2.gz LYTYWFJWEUKRAP-SQNIBIBYSA-N 1 3 296.499 3.149 20 0 CGADHO CSC1(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC000356177211 393369339 /nfs/dbraw/zinc/36/93/39/393369339.db2.gz PQZXDFVIRCTLEL-HUUCEWRRSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(C[NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC000356177211 393369343 /nfs/dbraw/zinc/36/93/43/393369343.db2.gz PQZXDFVIRCTLEL-HUUCEWRRSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126013 393373442 /nfs/dbraw/zinc/37/34/42/393373442.db2.gz YXUUYAYHKKBSOP-CVEARBPZSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126013 393373446 /nfs/dbraw/zinc/37/34/46/393373446.db2.gz YXUUYAYHKKBSOP-CVEARBPZSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@H]1C ZINC000481992651 393438479 /nfs/dbraw/zinc/43/84/79/393438479.db2.gz RGQWZBRFWFKTCH-ZHCJQAHYSA-N 1 3 264.457 3.275 20 0 CGADHO CN(CC(C)(C)C[NH3+])[C@@H]1CCc2c1cccc2Cl ZINC000420292765 393451739 /nfs/dbraw/zinc/45/17/39/393451739.db2.gz PYBJVRVZGGVRQR-CQSZACIVSA-N 1 3 266.816 3.244 20 0 CGADHO C[N@H+](CC(C)(C)CN)[C@@H]1CCc2c1cccc2Cl ZINC000420292765 393451743 /nfs/dbraw/zinc/45/17/43/393451743.db2.gz PYBJVRVZGGVRQR-CQSZACIVSA-N 1 3 266.816 3.244 20 0 CGADHO C[N@@H+](CC(C)(C)CN)[C@@H]1CCc2c1cccc2Cl ZINC000420292765 393451744 /nfs/dbraw/zinc/45/17/44/393451744.db2.gz PYBJVRVZGGVRQR-CQSZACIVSA-N 1 3 266.816 3.244 20 0 CGADHO CC[N@H+](CCCCC1CCOCC1)[C@H]1CCCNCC1 ZINC000420307530 393457188 /nfs/dbraw/zinc/45/71/88/393457188.db2.gz IVVJHWCUASWNAR-KRWDZBQOSA-N 1 3 282.472 3.047 20 0 CGADHO CC[N@@H+](CCCCC1CCOCC1)[C@H]1CCCNCC1 ZINC000420307530 393457193 /nfs/dbraw/zinc/45/71/93/393457193.db2.gz IVVJHWCUASWNAR-KRWDZBQOSA-N 1 3 282.472 3.047 20 0 CGADHO CSc1ccccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392628 393483208 /nfs/dbraw/zinc/48/32/08/393483208.db2.gz IZVSOCGRSVOULW-HOCLYGCPSA-N 1 3 290.476 3.373 20 0 CGADHO CC[C@H](c1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359004 393473053 /nfs/dbraw/zinc/47/30/53/393473053.db2.gz FLNSRQXOBNQKLS-IAGOWNOFSA-N 1 3 258.409 3.213 20 0 CGADHO NC[C@H]([NH2+]Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000420376680 393478533 /nfs/dbraw/zinc/47/85/33/393478533.db2.gz VKRZGJAHVYKZFE-SFHVURJKSA-N 1 3 283.419 3.232 20 0 CGADHO Cc1cccc2c1C[N@H+](CC[C@H]1CCCCN1C)CC2 ZINC000429567989 393484688 /nfs/dbraw/zinc/48/46/88/393484688.db2.gz MYAYUSOURPBORN-QGZVFWFLSA-N 1 3 272.436 3.228 20 0 CGADHO Cc1cccc2c1C[N@@H+](CC[C@H]1CCCCN1C)CC2 ZINC000429567989 393484690 /nfs/dbraw/zinc/48/46/90/393484690.db2.gz MYAYUSOURPBORN-QGZVFWFLSA-N 1 3 272.436 3.228 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)CS1 ZINC000488433382 393510599 /nfs/dbraw/zinc/51/05/99/393510599.db2.gz QYCHMMCURSHZPC-IAGOWNOFSA-N 1 3 292.492 3.368 20 0 CGADHO C[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)CN1CCCC1 ZINC000488435878 393512171 /nfs/dbraw/zinc/51/21/71/393512171.db2.gz WMRYVMXGFCAWAP-KFWWJZLASA-N 1 3 284.513 3.228 20 0 CGADHO C[C@H](CN[C@H]1CS[C@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000488435878 393512175 /nfs/dbraw/zinc/51/21/75/393512175.db2.gz WMRYVMXGFCAWAP-KFWWJZLASA-N 1 3 284.513 3.228 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCCc2ccc(Cl)cc2)C1 ZINC000430565498 393576570 /nfs/dbraw/zinc/57/65/70/393576570.db2.gz AMPXUJKYNBCNBV-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC000430579238 393577903 /nfs/dbraw/zinc/57/79/03/393577903.db2.gz YHQHKWVGCDAWRQ-ZIAGYGMSSA-N 1 3 296.842 3.168 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CCCNCC2)c1 ZINC000666858013 542821786 /nfs/dbraw/zinc/82/17/86/542821786.db2.gz STXMODUVLNOLJD-WBVHZDCISA-N 1 3 260.425 3.048 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000666858960 542821937 /nfs/dbraw/zinc/82/19/37/542821937.db2.gz ODQOJWKDXDXIOZ-KURKYZTESA-N 1 3 272.436 3.229 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000666857971 542822096 /nfs/dbraw/zinc/82/20/96/542822096.db2.gz RJZZFRVKWXLWRE-FGTMMUONSA-N 1 3 272.436 3.363 20 0 CGADHO C[C@@H](CCN1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976477 393623567 /nfs/dbraw/zinc/62/35/67/393623567.db2.gz GOSMDRSMXUYRES-FUHWJXTLSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@@H](CN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000490013126 393625487 /nfs/dbraw/zinc/62/54/87/393625487.db2.gz LROWEAZRVLHAER-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000422936468 393645417 /nfs/dbraw/zinc/64/54/17/393645417.db2.gz IFMPORJJMNYGLT-BFHKSVSOSA-N 1 3 296.499 3.181 20 0 CGADHO C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000422956154 393647822 /nfs/dbraw/zinc/64/78/22/393647822.db2.gz KULFSUKTRCCMLA-OEUWWYETSA-N 1 3 258.409 3.213 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423033596 393649280 /nfs/dbraw/zinc/64/92/80/393649280.db2.gz ZINYLOYIOYLVKF-ZFVVBOAOSA-N 1 3 288.435 3.315 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423120783 393651883 /nfs/dbraw/zinc/65/18/83/393651883.db2.gz HOGNFPNNNXSQAN-WRWGMCAJSA-N 1 3 266.351 3.071 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2c(Br)cccc21 ZINC000423224925 393655219 /nfs/dbraw/zinc/65/52/19/393655219.db2.gz KPDMJEKXXCLTKJ-IINYFYTJSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2ccc(Br)cc21 ZINC000423306838 393660354 /nfs/dbraw/zinc/66/03/54/393660354.db2.gz MCBIOHDUPBMOPL-QMTHXVAHSA-N 1 3 297.240 3.011 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H](C)C2 ZINC000423346158 393662520 /nfs/dbraw/zinc/66/25/20/393662520.db2.gz PSONVEVKJRTYMW-QGTPRVQTSA-N 1 3 272.436 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H](C)C2 ZINC000423346158 393662521 /nfs/dbraw/zinc/66/25/21/393662521.db2.gz PSONVEVKJRTYMW-QGTPRVQTSA-N 1 3 272.436 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000423333501 393662599 /nfs/dbraw/zinc/66/25/99/393662599.db2.gz HQFQVMJPGAUVKK-MSOLQXFVSA-N 1 3 272.436 3.352 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C)CCCNC1)CCC2 ZINC000423333501 393662601 /nfs/dbraw/zinc/66/26/01/393662601.db2.gz HQFQVMJPGAUVKK-MSOLQXFVSA-N 1 3 272.436 3.352 20 0 CGADHO Clc1cc2c(c(Cl)c1)[C@@H](NCC1=CC[NH2+]CC1)CC2 ZINC000423347779 393662682 /nfs/dbraw/zinc/66/26/82/393662682.db2.gz RBWOCRTZXGVKBW-AWEZNQCLSA-N 1 3 297.229 3.490 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423372807 393663235 /nfs/dbraw/zinc/66/32/35/393663235.db2.gz HEXHYJHBKDGOMH-FMKPAKJESA-N 1 3 274.408 3.068 20 0 CGADHO C[C@H](NC/C=C\C[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000361087312 393669682 /nfs/dbraw/zinc/66/96/82/393669682.db2.gz LNRVWWZMYYAWAH-HFZJXRFXSA-N 1 3 296.418 3.034 20 0 CGADHO CN(CCSCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000433036778 393673438 /nfs/dbraw/zinc/67/34/38/393673438.db2.gz YWFUUCMQMGYTMO-UHFFFAOYSA-N 1 3 292.492 3.338 20 0 CGADHO CCOc1cccc(CN(CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000435373124 393714677 /nfs/dbraw/zinc/71/46/77/393714677.db2.gz UAQWLVCSKLJUPB-INIZCTEOSA-N 1 3 276.424 3.049 20 0 CGADHO CC1CCC(C[NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666997027 542833398 /nfs/dbraw/zinc/83/33/98/542833398.db2.gz SEVCRVHUTMFTBD-NRXISQOPSA-N 1 3 250.430 3.077 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666996935 542834161 /nfs/dbraw/zinc/83/41/61/542834161.db2.gz NBDAMKYQLDKYCU-LSDHHAIUSA-N 1 3 264.457 3.467 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCNC3(CCC3)C2)cc1C ZINC000666999494 542835180 /nfs/dbraw/zinc/83/51/80/542835180.db2.gz PQLNYBHSPAIGCW-INIZCTEOSA-N 1 3 258.409 3.068 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497097 394006571 /nfs/dbraw/zinc/00/65/71/394006571.db2.gz CBRRCXODUBGSIM-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497097 394006575 /nfs/dbraw/zinc/00/65/75/394006575.db2.gz CBRRCXODUBGSIM-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497097 394006581 /nfs/dbraw/zinc/00/65/81/394006581.db2.gz CBRRCXODUBGSIM-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000450497097 394006585 /nfs/dbraw/zinc/00/65/85/394006585.db2.gz CBRRCXODUBGSIM-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1csc(C)c1 ZINC000453192817 394201447 /nfs/dbraw/zinc/20/14/47/394201447.db2.gz KIOQZLLJKHWNOE-AWEZNQCLSA-N 1 3 284.469 3.066 20 0 CGADHO C[N@H+](CCCCN[C@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000453398254 394232486 /nfs/dbraw/zinc/23/24/86/394232486.db2.gz KKUOKMLRLJFEFI-INIZCTEOSA-N 1 3 294.389 3.416 20 0 CGADHO C[N@@H+](CCCCN[C@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000453398254 394232491 /nfs/dbraw/zinc/23/24/91/394232491.db2.gz KKUOKMLRLJFEFI-INIZCTEOSA-N 1 3 294.389 3.416 20 0 CGADHO C[N@H+](CCCCNCc1c(F)cccc1Cl)C1CC1 ZINC000453593607 394252311 /nfs/dbraw/zinc/25/23/11/394252311.db2.gz GZDWHQZJGXPJPU-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO C[N@@H+](CCCCNCc1c(F)cccc1Cl)C1CC1 ZINC000453593607 394252313 /nfs/dbraw/zinc/25/23/13/394252313.db2.gz GZDWHQZJGXPJPU-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO CC[C@H](C)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668486000 543019200 /nfs/dbraw/zinc/01/92/00/543019200.db2.gz AOYWEVCYWGITII-AWEZNQCLSA-N 1 3 261.413 3.076 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265133 543148036 /nfs/dbraw/zinc/14/80/36/543148036.db2.gz QYQOKALLJXKYHY-GJZGRUSLSA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265133 543148038 /nfs/dbraw/zinc/14/80/38/543148038.db2.gz QYQOKALLJXKYHY-GJZGRUSLSA-N 1 3 254.462 3.332 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000670267250 543149071 /nfs/dbraw/zinc/14/90/71/543149071.db2.gz WXWIRQQJWBJCFS-LSDHHAIUSA-N 1 3 254.462 3.379 20 0 CGADHO c1ccc(CCCN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917991 397609899 /nfs/dbraw/zinc/60/98/99/397609899.db2.gz LRJCWWRIHWOPER-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO CC(C)(C)CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302318634 397676459 /nfs/dbraw/zinc/67/64/59/397676459.db2.gz QDZQAYQDHFMLLG-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000650715355 397900122 /nfs/dbraw/zinc/90/01/22/397900122.db2.gz ZGGQBGKGZUZIIU-GDAAHCPNSA-N 1 3 284.447 3.493 20 0 CGADHO C[C@H](NCC1(c2ccccc2F)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000650740825 397904356 /nfs/dbraw/zinc/90/43/56/397904356.db2.gz SEJHRZOSLJBKOI-LSDHHAIUSA-N 1 3 290.426 3.225 20 0 CGADHO C[C@H]([NH2+]CC1(c2ccccc2F)CCC1)[C@@H]1CCCNC1 ZINC000650740825 397904359 /nfs/dbraw/zinc/90/43/59/397904359.db2.gz SEJHRZOSLJBKOI-LSDHHAIUSA-N 1 3 290.426 3.225 20 0 CGADHO Cc1ccccc1C1(N[C@H](C)[C@H]2CCC[NH2+]C2)CCC1 ZINC000650739991 397904520 /nfs/dbraw/zinc/90/45/20/397904520.db2.gz DKZMBEXMCZZRLX-CVEARBPZSA-N 1 3 272.436 3.352 20 0 CGADHO COC1([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)CCCCC1 ZINC000421819594 292135742 /nfs/dbraw/zinc/13/57/42/292135742.db2.gz HXGDIXPUHCPNKW-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677240034 543441408 /nfs/dbraw/zinc/44/14/08/543441408.db2.gz DMWOGQURYHCRNT-MSOLQXFVSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000677240034 543441409 /nfs/dbraw/zinc/44/14/09/543441409.db2.gz DMWOGQURYHCRNT-MSOLQXFVSA-N 1 3 286.463 3.489 20 0 CGADHO CCC[NH+]1CCC(NCCc2ccc(F)cc2Cl)CC1 ZINC000553261883 289216025 /nfs/dbraw/zinc/21/60/25/289216025.db2.gz XKFNMIQVKNDRNB-UHFFFAOYSA-N 1 3 298.833 3.486 20 0 CGADHO CC(C)CC[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678136790 543486379 /nfs/dbraw/zinc/48/63/79/543486379.db2.gz IGJUDYFKHRDMLX-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO CC(C)CC[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678136790 543486382 /nfs/dbraw/zinc/48/63/82/543486382.db2.gz IGJUDYFKHRDMLX-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC000678220266 543495158 /nfs/dbraw/zinc/49/51/58/543495158.db2.gz HNWYGFNPXFKSQB-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+](C)CC2CCCC2)cc1 ZINC000678220266 543495160 /nfs/dbraw/zinc/49/51/60/543495160.db2.gz HNWYGFNPXFKSQB-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340323 543516176 /nfs/dbraw/zinc/51/61/76/543516176.db2.gz SXYRXZPSDLSSAU-MJGOQNOKSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340323 543516177 /nfs/dbraw/zinc/51/61/77/543516177.db2.gz SXYRXZPSDLSSAU-MJGOQNOKSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340323 543516178 /nfs/dbraw/zinc/51/61/78/543516178.db2.gz SXYRXZPSDLSSAU-MJGOQNOKSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340323 543516179 /nfs/dbraw/zinc/51/61/79/543516179.db2.gz SXYRXZPSDLSSAU-MJGOQNOKSA-N 1 3 284.447 3.480 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422812559 292260638 /nfs/dbraw/zinc/26/06/38/292260638.db2.gz QRMVRADKQFSRSX-SJORKVTESA-N 1 3 258.409 3.178 20 0 CGADHO CCS[C@H]1CCCC[C@H]1[NH2+]CCCN(CC)CC ZINC000338279535 286720458 /nfs/dbraw/zinc/72/04/58/286720458.db2.gz JIULUIXBDPXHRW-CABCVRRESA-N 1 3 272.502 3.372 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183193232 287046954 /nfs/dbraw/zinc/04/69/54/287046954.db2.gz DRXFTILOEKGRHW-SQWLQELKSA-N 1 3 264.457 3.418 20 0 CGADHO COc1cccc([C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000079436813 287056702 /nfs/dbraw/zinc/05/67/02/287056702.db2.gz GXQLLHKPHNIPGT-LSDHHAIUSA-N 1 3 276.424 3.030 20 0 CGADHO COc1cccc([C@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000079436813 287056705 /nfs/dbraw/zinc/05/67/05/287056705.db2.gz GXQLLHKPHNIPGT-LSDHHAIUSA-N 1 3 276.424 3.030 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000084389666 165176467 /nfs/dbraw/zinc/17/64/67/165176467.db2.gz COHVWRASVRHATA-CABCVRRESA-N 1 3 260.425 3.067 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000084389666 165176470 /nfs/dbraw/zinc/17/64/70/165176470.db2.gz COHVWRASVRHATA-CABCVRRESA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](C[C@H](C)N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000084389652 165176833 /nfs/dbraw/zinc/17/68/33/165176833.db2.gz COHVWRASVRHATA-LSDHHAIUSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000084389652 165176835 /nfs/dbraw/zinc/17/68/35/165176835.db2.gz COHVWRASVRHATA-LSDHHAIUSA-N 1 3 260.425 3.067 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000092165605 165283310 /nfs/dbraw/zinc/28/33/10/165283310.db2.gz TURWWTHLLJOQHY-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000092165605 165283314 /nfs/dbraw/zinc/28/33/14/165283314.db2.gz TURWWTHLLJOQHY-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000094901283 165395694 /nfs/dbraw/zinc/39/56/94/165395694.db2.gz PHYWTQHQLSQLAE-KRWDZBQOSA-N 1 3 260.425 3.056 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000120097856 287178127 /nfs/dbraw/zinc/17/81/27/287178127.db2.gz YDSFTGIOXBVFMK-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000120097856 287178130 /nfs/dbraw/zinc/17/81/30/287178130.db2.gz YDSFTGIOXBVFMK-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO CC1CC[NH+](C[C@@H]2CCCN(C3CCCC3)C2)CC1 ZINC000120097856 287178132 /nfs/dbraw/zinc/17/81/32/287178132.db2.gz YDSFTGIOXBVFMK-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C(C)(C)C ZINC000122378911 287209313 /nfs/dbraw/zinc/20/93/13/287209313.db2.gz KLTCZKIYPCHXIS-CQSZACIVSA-N 1 3 278.440 3.151 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000020129144 171016969 /nfs/dbraw/zinc/01/69/69/171016969.db2.gz JWHYFIGVRNRYSF-GOSISDBHSA-N 1 3 288.435 3.148 20 0 CGADHO Fc1ccc(/C=C/CNC2CC[NH+](C3CC3)CC2)cc1F ZINC000285467467 196293691 /nfs/dbraw/zinc/29/36/91/196293691.db2.gz NKQYVTURDGORPE-OWOJBTEDSA-N 1 3 292.373 3.194 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(Cl)cc1)C2 ZINC000285596901 196338066 /nfs/dbraw/zinc/33/80/66/196338066.db2.gz UVNSPGQWDFKWEL-XYPWUTKMSA-N 1 3 278.827 3.397 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(Cl)cc1)C2 ZINC000285596901 196338068 /nfs/dbraw/zinc/33/80/68/196338068.db2.gz UVNSPGQWDFKWEL-XYPWUTKMSA-N 1 3 278.827 3.397 20 0 CGADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(C)c1 ZINC000037408244 173185370 /nfs/dbraw/zinc/18/53/70/173185370.db2.gz MZMSKCLLYIPQJV-INIZCTEOSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037408244 173185373 /nfs/dbraw/zinc/18/53/73/173185373.db2.gz MZMSKCLLYIPQJV-INIZCTEOSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037408244 173185375 /nfs/dbraw/zinc/18/53/75/173185375.db2.gz MZMSKCLLYIPQJV-INIZCTEOSA-N 1 3 272.436 3.186 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000038097992 174112831 /nfs/dbraw/zinc/11/28/31/174112831.db2.gz SAYWTFIGMBYTFZ-LBPRGKRZSA-N 1 3 298.377 3.423 20 0 CGADHO COc1ccc(CN2CCC(C[NH2+]CC(C)C)CC2)cc1 ZINC000070937618 176012887 /nfs/dbraw/zinc/01/28/87/176012887.db2.gz XKZNRZPRVVLRRT-UHFFFAOYSA-N 1 3 290.451 3.153 20 0 CGADHO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc3ccccc3c2)C1 ZINC000071141860 176039937 /nfs/dbraw/zinc/03/99/37/176039937.db2.gz XVUOFGYVOGGMPW-LSDHHAIUSA-N 1 3 268.404 3.442 20 0 CGADHO CCC1CCC([N@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC000226436540 416521784 /nfs/dbraw/zinc/52/17/84/416521784.db2.gz WMEGXGOJVAPGKP-HWOWSKLDSA-N 1 3 264.457 3.419 20 0 CGADHO CCC1CCC([N@@H+](C[C@@H]2CCCNC2)C2CC2)CC1 ZINC000226436540 416521788 /nfs/dbraw/zinc/52/17/88/416521788.db2.gz WMEGXGOJVAPGKP-HWOWSKLDSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CCCN(Cc2ccnc3ccccc23)[C@H]1CC[NH3+] ZINC000404319560 416552938 /nfs/dbraw/zinc/55/29/38/416552938.db2.gz IOVCTCWEVNOUGG-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)[C@H]1CCN ZINC000404319560 416552941 /nfs/dbraw/zinc/55/29/41/416552941.db2.gz IOVCTCWEVNOUGG-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)[C@H]1CCN ZINC000404319560 416552944 /nfs/dbraw/zinc/55/29/44/416552944.db2.gz IOVCTCWEVNOUGG-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO CC[C@H]1CN(Cc2c(C)cc(C)cc2C)CC[C@@H]1[NH3+] ZINC000134103226 416516840 /nfs/dbraw/zinc/51/68/40/416516840.db2.gz WUQKPYCDAHNFRG-RDJZCZTQSA-N 1 3 260.425 3.171 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000679092690 543590560 /nfs/dbraw/zinc/59/05/60/543590560.db2.gz QYKQRLATOWLXRN-YJBOKZPZSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000679092690 543590564 /nfs/dbraw/zinc/59/05/64/543590564.db2.gz QYKQRLATOWLXRN-YJBOKZPZSA-N 1 3 294.483 3.331 20 0 CGADHO CC[N@H+](CCC1CC1)Cc1ccc(OCCN(C)C)cc1 ZINC000680650531 543722366 /nfs/dbraw/zinc/72/23/66/543722366.db2.gz XLOGDQVTOCCBPT-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CC[N@@H+](CCC1CC1)Cc1ccc(OCCN(C)C)cc1 ZINC000680650531 543722370 /nfs/dbraw/zinc/72/23/70/543722370.db2.gz XLOGDQVTOCCBPT-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@H]1SCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000682161203 543832057 /nfs/dbraw/zinc/83/20/57/543832057.db2.gz LPFKLGDOBGYSEF-CJNGLKHVSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]1SCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000682161203 543832061 /nfs/dbraw/zinc/83/20/61/543832061.db2.gz LPFKLGDOBGYSEF-CJNGLKHVSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]1SCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000682161204 543832248 /nfs/dbraw/zinc/83/22/48/543832248.db2.gz LPFKLGDOBGYSEF-CZUORRHYSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H]1SCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000682161204 543832250 /nfs/dbraw/zinc/83/22/50/543832250.db2.gz LPFKLGDOBGYSEF-CZUORRHYSA-N 1 3 282.497 3.267 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@H](C)Cc2ccc(F)cc2)CC1 ZINC000131204197 287373198 /nfs/dbraw/zinc/37/31/98/287373198.db2.gz ZBEXDIGWHHGREZ-OAHLLOKOSA-N 1 3 292.442 3.467 20 0 CGADHO FC(F)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000131359134 287377301 /nfs/dbraw/zinc/37/73/01/287377301.db2.gz XUJVQQYFJROSJB-CYBMUJFWSA-N 1 3 280.362 3.198 20 0 CGADHO C[C@@H](Cc1cccs1)NC1CC([NH+]2CCCCC2)C1 ZINC000684425830 543998480 /nfs/dbraw/zinc/99/84/80/543998480.db2.gz VSBDVQALFGEKHQ-NFOMZHRRSA-N 1 3 278.465 3.286 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000650741535 418936013 /nfs/dbraw/zinc/93/60/13/418936013.db2.gz GADNRBUEOFMOJN-XFWGSAIBSA-N 1 3 294.442 3.399 20 0 CGADHO CC[C@@H](CC(F)F)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956661 419046137 /nfs/dbraw/zinc/04/61/37/419046137.db2.gz LPFGIWPLXBFXHK-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659956661 419046141 /nfs/dbraw/zinc/04/61/41/419046141.db2.gz LPFGIWPLXBFXHK-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659956661 419046146 /nfs/dbraw/zinc/04/61/46/419046146.db2.gz LPFGIWPLXBFXHK-GJZGRUSLSA-N 1 3 288.426 3.476 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655734638 419082337 /nfs/dbraw/zinc/08/23/37/419082337.db2.gz LHKSAEYIDKWWJF-OAGGEKHMSA-N 1 3 284.513 3.228 20 0 CGADHO CCC(C)(C)N1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000653811698 419088135 /nfs/dbraw/zinc/08/81/35/419088135.db2.gz VBGHBNSJVHIDLZ-KRWDZBQOSA-N 1 3 295.515 3.056 20 0 CGADHO CCC(C)(C)N1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000653811698 419088138 /nfs/dbraw/zinc/08/81/38/419088138.db2.gz VBGHBNSJVHIDLZ-KRWDZBQOSA-N 1 3 295.515 3.056 20 0 CGADHO NC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCCC1 ZINC000665247913 419090959 /nfs/dbraw/zinc/09/09/59/419090959.db2.gz LQNYRRSFCMAOFA-NVXWUHKLSA-N 1 3 288.435 3.015 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCCC1)c1ccc2c(c1)CCC2 ZINC000665248691 419092408 /nfs/dbraw/zinc/09/24/08/419092408.db2.gz ACNRUZODDHXGFC-ZDUSSCGKSA-N 1 3 258.409 3.097 20 0 CGADHO NC1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CCCC1 ZINC000665248525 419092562 /nfs/dbraw/zinc/09/25/62/419092562.db2.gz YHYKEJFFWRSNGR-HNNXBMFYSA-N 1 3 262.372 3.138 20 0 CGADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000665261426 419095177 /nfs/dbraw/zinc/09/51/77/419095177.db2.gz CDZUAZARYZUUKV-MELADBBJSA-N 1 3 256.409 3.025 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC1CCC1 ZINC000665267609 419097158 /nfs/dbraw/zinc/09/71/58/419097158.db2.gz ZNJNKGNTGWZBOK-BRWVUGGUSA-N 1 3 264.457 3.467 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665274509 419098495 /nfs/dbraw/zinc/09/84/95/419098495.db2.gz RYMYOAUIIKOHPA-FVVUREQNSA-N 1 3 284.447 3.443 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279729 419101172 /nfs/dbraw/zinc/10/11/72/419101172.db2.gz KNLCMMPLEFSUFV-WMLDXEAASA-N 1 3 278.440 3.498 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]CC[C@@H](N)C(C)C)C2CC2)cc1 ZINC000665280910 419101859 /nfs/dbraw/zinc/10/18/59/419101859.db2.gz OZVMPXBBOYHIFZ-QZTJIDSGSA-N 1 3 274.452 3.279 20 0 CGADHO Cc1ccc(C[C@@H](NCC[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000665280910 419101863 /nfs/dbraw/zinc/10/18/63/419101863.db2.gz OZVMPXBBOYHIFZ-QZTJIDSGSA-N 1 3 274.452 3.279 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCc2ccc(F)cc21 ZINC000665281304 419102617 /nfs/dbraw/zinc/10/26/17/419102617.db2.gz ZISMXRWCDPJVKS-HZPDHXFCSA-N 1 3 264.388 3.166 20 0 CGADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000665297636 419111129 /nfs/dbraw/zinc/11/11/29/419111129.db2.gz JBTZWIQHZDSGAF-UONOGXRCSA-N 1 3 298.858 3.393 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000660415643 419140578 /nfs/dbraw/zinc/14/05/78/419140578.db2.gz GUVNIZWTWBDOBS-OLZOCXBDSA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000660415643 419140580 /nfs/dbraw/zinc/14/05/80/419140580.db2.gz GUVNIZWTWBDOBS-OLZOCXBDSA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000660415643 419140582 /nfs/dbraw/zinc/14/05/82/419140582.db2.gz GUVNIZWTWBDOBS-OLZOCXBDSA-N 1 3 262.388 3.084 20 0 CGADHO CCCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000656198795 419148947 /nfs/dbraw/zinc/14/89/47/419148947.db2.gz UPGQTNCDZSKKJQ-HOTGVXAUSA-N 1 3 276.424 3.143 20 0 CGADHO CC(C)CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674250 419180921 /nfs/dbraw/zinc/18/09/21/419180921.db2.gz OGGJRTJEPLMKJE-UHFFFAOYSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000656617949 419187318 /nfs/dbraw/zinc/18/73/18/419187318.db2.gz UFGXKPPJRPDEIT-NFOMZHRRSA-N 1 3 252.446 3.131 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666116818 419190385 /nfs/dbraw/zinc/19/03/85/419190385.db2.gz CUWKFAOIIOAMSR-HNNXBMFYSA-N 1 3 290.838 3.049 20 0 CGADHO CCCn1nccc1CNCCCCC[NH+]1CCCCC1 ZINC000657359349 419259231 /nfs/dbraw/zinc/25/92/31/419259231.db2.gz UKXGIKCRRHJXLN-UHFFFAOYSA-N 1 3 292.471 3.039 20 0 CGADHO NC1(C[NH2+]Cc2cc3ccccc3s2)CCCC1 ZINC000656788297 419219423 /nfs/dbraw/zinc/21/94/23/419219423.db2.gz IFINSPNABTZZIM-UHFFFAOYSA-N 1 3 260.406 3.262 20 0 CGADHO COCc1csc(C[NH2+]CC2(CN(C)C)CCCC2)c1 ZINC000657434584 419278128 /nfs/dbraw/zinc/27/81/28/419278128.db2.gz JZRUKDKAJIQNIL-UHFFFAOYSA-N 1 3 296.480 3.106 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838500 419303069 /nfs/dbraw/zinc/30/30/69/419303069.db2.gz GFLFXOIAXVRIJQ-OWCLPIDISA-N 1 3 294.483 3.187 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838500 419303070 /nfs/dbraw/zinc/30/30/70/419303070.db2.gz GFLFXOIAXVRIJQ-OWCLPIDISA-N 1 3 294.483 3.187 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838500 419303072 /nfs/dbraw/zinc/30/30/72/419303072.db2.gz GFLFXOIAXVRIJQ-OWCLPIDISA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCC(F)CC1 ZINC000657742822 419335839 /nfs/dbraw/zinc/33/58/39/419335839.db2.gz AYLZFEQMWOYGDZ-VLSVSDDBSA-N 1 3 268.420 3.120 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cc2cnccc2o1 ZINC000657815649 419364590 /nfs/dbraw/zinc/36/45/90/419364590.db2.gz IXGIZKPDOAPZGH-GFCCVEGCSA-N 1 3 275.396 3.066 20 0 CGADHO C(CC1CCC1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662263875 419375763 /nfs/dbraw/zinc/37/57/63/419375763.db2.gz GHSCBWCSQTYECE-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1N ZINC000662270788 419379283 /nfs/dbraw/zinc/37/92/83/419379283.db2.gz NWZRZZSLLXPWMW-KYJSFNMBSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1N ZINC000662270788 419379288 /nfs/dbraw/zinc/37/92/88/419379288.db2.gz NWZRZZSLLXPWMW-KYJSFNMBSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1CN(CC[C@H]2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000662270788 419379294 /nfs/dbraw/zinc/37/92/94/419379294.db2.gz NWZRZZSLLXPWMW-KYJSFNMBSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1N ZINC000662270787 419379868 /nfs/dbraw/zinc/37/98/68/419379868.db2.gz NWZRZZSLLXPWMW-HFTRVMKXSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1N ZINC000662270787 419379873 /nfs/dbraw/zinc/37/98/73/419379873.db2.gz NWZRZZSLLXPWMW-HFTRVMKXSA-N 1 3 272.436 3.166 20 0 CGADHO CC[C@@H]1CN(CC[C@@H]2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000662270787 419379879 /nfs/dbraw/zinc/37/98/79/419379879.db2.gz NWZRZZSLLXPWMW-HFTRVMKXSA-N 1 3 272.436 3.166 20 0 CGADHO CO[C@@H](CN(CCC[NH3+])Cc1ccccc1)C1CCCC1 ZINC000662272163 419380451 /nfs/dbraw/zinc/38/04/51/419380451.db2.gz LINUGKPJANQKAW-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657932992 419449896 /nfs/dbraw/zinc/44/98/96/419449896.db2.gz YFAXUAOUIHQMLZ-JKSUJKDBSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663498546 419636678 /nfs/dbraw/zinc/63/66/78/419636678.db2.gz PUTHZNNLHOCLRI-SYJJWHGVSA-N 1 3 272.436 3.084 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@H]3CCC34CCC4)CC2)ccn1 ZINC000658163717 419627291 /nfs/dbraw/zinc/62/72/91/419627291.db2.gz AEOMFRUYUWGCPE-SFHVURJKSA-N 1 3 299.462 3.216 20 0 CGADHO CC1(C)CC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165678 419631711 /nfs/dbraw/zinc/63/17/11/419631711.db2.gz JWVUNSKGHZAZSX-QGZVFWFLSA-N 1 3 287.451 3.072 20 0 CGADHO CC[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)C1CC1 ZINC000658235873 419693525 /nfs/dbraw/zinc/69/35/25/419693525.db2.gz SDIZTYJSXAZOAD-KDOFPFPSSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000663503684 419641680 /nfs/dbraw/zinc/64/16/80/419641680.db2.gz SDVWYUKIUYIKPJ-KZNAEPCWSA-N 1 3 274.452 3.460 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000663503684 419641686 /nfs/dbraw/zinc/64/16/86/419641686.db2.gz SDVWYUKIUYIKPJ-KZNAEPCWSA-N 1 3 274.452 3.460 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C[NH3+])cc1 ZINC000521045266 260119319 /nfs/dbraw/zinc/11/93/19/260119319.db2.gz LWODYCJCAPRVFD-ACJLOTCBSA-N 1 3 266.388 3.168 20 0 CGADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000230986877 287641586 /nfs/dbraw/zinc/64/15/86/287641586.db2.gz VLXLJUIROCTAAZ-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000043388589 270034172 /nfs/dbraw/zinc/03/41/72/270034172.db2.gz GMCCASAJXZBHLT-UHFFFAOYSA-N 1 3 284.806 3.443 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044534822 270036442 /nfs/dbraw/zinc/03/64/42/270036442.db2.gz SHAGQVUDTPNONF-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)N1CCN(CCC[N@H+](C(C)C)C2CCCC2)CC1 ZINC000192766356 270077893 /nfs/dbraw/zinc/07/78/93/270077893.db2.gz LWQVEHVDKHOLGC-UHFFFAOYSA-N 1 3 295.515 3.056 20 0 CGADHO CC(C)N1CCN(CCC[N@@H+](C(C)C)C2CCCC2)CC1 ZINC000192766356 270077894 /nfs/dbraw/zinc/07/78/94/270077894.db2.gz LWQVEHVDKHOLGC-UHFFFAOYSA-N 1 3 295.515 3.056 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322908320 270094237 /nfs/dbraw/zinc/09/42/37/270094237.db2.gz IVXBOYLTTPNVSG-HNSVSWJLSA-N 1 3 288.435 3.361 20 0 CGADHO C[C@H](C[NH2+]CCCN1CCCCC1)c1ccc(F)cc1 ZINC000527116791 270125846 /nfs/dbraw/zinc/12/58/46/270125846.db2.gz FBHXSOLMLIUKLQ-OAHLLOKOSA-N 1 3 278.415 3.395 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H]1CC12CC2 ZINC000527845293 270139197 /nfs/dbraw/zinc/13/91/97/270139197.db2.gz IHKVNACTGITESS-XJKSGUPXSA-N 1 3 258.409 3.026 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527353 270182793 /nfs/dbraw/zinc/18/27/93/270182793.db2.gz DASLJUAZJYRACF-KBXCAEBGSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527353 270182794 /nfs/dbraw/zinc/18/27/94/270182794.db2.gz DASLJUAZJYRACF-KBXCAEBGSA-N 1 3 285.435 3.330 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568541 270185113 /nfs/dbraw/zinc/18/51/13/270185113.db2.gz BEBVYMZBJPIWRZ-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568541 270185114 /nfs/dbraw/zinc/18/51/14/270185114.db2.gz BEBVYMZBJPIWRZ-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568541 270185115 /nfs/dbraw/zinc/18/51/15/270185115.db2.gz BEBVYMZBJPIWRZ-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568541 270185116 /nfs/dbraw/zinc/18/51/16/270185116.db2.gz BEBVYMZBJPIWRZ-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CCC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OCC ZINC000530215022 270195946 /nfs/dbraw/zinc/19/59/46/270195946.db2.gz ZOJFHGYLIXMBJU-WCXIOVBPSA-N 1 3 282.472 3.092 20 0 CGADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000530218856 270196169 /nfs/dbraw/zinc/19/61/69/270196169.db2.gz HMXKKKBRZMBCBC-KGLIPLIRSA-N 1 3 289.398 3.017 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000530223332 270196607 /nfs/dbraw/zinc/19/66/07/270196607.db2.gz UAZOZHIVGAEOEN-YDHLFZDLSA-N 1 3 264.800 3.187 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN(C)C)CCS2 ZINC000293364297 274132659 /nfs/dbraw/zinc/13/26/59/274132659.db2.gz HOVJTPVIAFHXDF-WFASDCNBSA-N 1 3 294.464 3.019 20 0 CGADHO C[C@@H](CNCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414806943 274224192 /nfs/dbraw/zinc/22/41/92/274224192.db2.gz QTIFRAQEDNDYEV-JTQLQIEISA-N 1 3 274.330 3.136 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1Cc2ccccc2C1 ZINC000235467321 274495895 /nfs/dbraw/zinc/49/58/95/274495895.db2.gz LRIGUANLWDXEJF-PBHICJAKSA-N 1 3 272.436 3.054 20 0 CGADHO C(COC1CCCCC1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250869254 275394121 /nfs/dbraw/zinc/39/41/21/275394121.db2.gz SCLADLPXWHIVTA-RCCFBDPRSA-N 1 3 294.483 3.236 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H]2CCCc3occc32)CC1 ZINC000192827226 276003907 /nfs/dbraw/zinc/00/39/07/276003907.db2.gz UXZWMNVSWNJAIN-MRXNPFEDSA-N 1 3 276.424 3.369 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(OC)ccc1F ZINC000294236199 276098030 /nfs/dbraw/zinc/09/80/30/276098030.db2.gz SZVVFEHJJCYGMZ-AWEZNQCLSA-N 1 3 296.430 3.434 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN(C)C ZINC000425929293 276284921 /nfs/dbraw/zinc/28/49/21/276284921.db2.gz XEVNPKGRESMHIA-DOTOQJQBSA-N 1 3 262.441 3.185 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423160128 276337533 /nfs/dbraw/zinc/33/75/33/276337533.db2.gz GYZKPNCVJSYULL-WCXIOVBPSA-N 1 3 274.408 3.069 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C12CCCC2 ZINC000344082429 276354611 /nfs/dbraw/zinc/35/46/11/276354611.db2.gz YXBHITHBHFFEQA-VVLHAWIVSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000414916533 276469130 /nfs/dbraw/zinc/46/91/30/276469130.db2.gz PWHIYRHUFPHOLS-PMPSAXMXSA-N 1 3 252.446 3.182 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176153 277053302 /nfs/dbraw/zinc/05/33/02/277053302.db2.gz IBHHUSXQWLPGMA-BLLLJJGKSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000414176153 277053303 /nfs/dbraw/zinc/05/33/03/277053303.db2.gz IBHHUSXQWLPGMA-BLLLJJGKSA-N 1 3 294.389 3.274 20 0 CGADHO COC1(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)CCC1 ZINC000339085117 277183540 /nfs/dbraw/zinc/18/35/40/277183540.db2.gz PBYXMZDRWHOLEY-CVEARBPZSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1C[C@H]1C ZINC000321084375 287945222 /nfs/dbraw/zinc/94/52/22/287945222.db2.gz MFZZGIMTDQCJAG-BNOWGMLFSA-N 1 3 252.446 3.320 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423206437 277268728 /nfs/dbraw/zinc/26/87/28/277268728.db2.gz WXWXNGKLSGXWHI-HOCLYGCPSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@@H](C[NH2+]C1CCC2(CC2)CC1)CN1CCCC1 ZINC000362928590 277587034 /nfs/dbraw/zinc/58/70/34/277587034.db2.gz UROQNDOYWTUGIF-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037374171 277682826 /nfs/dbraw/zinc/68/28/26/277682826.db2.gz AZXIHJWQOQMNAV-PBHICJAKSA-N 1 3 273.424 3.219 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Cc1ccccc1 ZINC000423073423 277898308 /nfs/dbraw/zinc/89/83/08/277898308.db2.gz RLVNYTGFFMYZDH-SQNIBIBYSA-N 1 3 274.452 3.218 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccccc32)CCN1 ZINC000423397861 278028139 /nfs/dbraw/zinc/02/81/39/278028139.db2.gz VARDHUXPQRFOPX-FRFSOERESA-N 1 3 258.409 3.184 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000415085007 278216807 /nfs/dbraw/zinc/21/68/07/278216807.db2.gz HNMUVAMBHHZUHQ-YXPYIKCWSA-N 1 3 258.409 3.040 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCC2(CC2)CC1 ZINC000423394270 278222542 /nfs/dbraw/zinc/22/25/42/278222542.db2.gz RXKLAHIHGIPQFZ-CQSZACIVSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1CN ZINC000397427467 288023730 /nfs/dbraw/zinc/02/37/30/288023730.db2.gz YGSNDVLQIDDYQW-RFGFWPKPSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCC(F)(F)C2)C[C@@H]1CN ZINC000397427467 288023731 /nfs/dbraw/zinc/02/37/31/288023731.db2.gz YGSNDVLQIDDYQW-RFGFWPKPSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCN1 ZINC000422853054 278264865 /nfs/dbraw/zinc/26/48/65/278264865.db2.gz RUKMMMUCHQOYCL-ZDEQEGDKSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](NC1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000037267146 278335044 /nfs/dbraw/zinc/33/50/44/278335044.db2.gz XPACPYOFRDTPJZ-LLVKDONJSA-N 1 3 286.341 3.450 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000093405365 278341781 /nfs/dbraw/zinc/34/17/81/278341781.db2.gz RUQYXHPNCGTLAW-GFCCVEGCSA-N 1 3 293.480 3.014 20 0 CGADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1COc2ccccc21 ZINC000119483525 278344556 /nfs/dbraw/zinc/34/45/56/278344556.db2.gz JCVNHKNGTWQBTC-NVXWUHKLSA-N 1 3 288.435 3.017 20 0 CGADHO C[C@@H]1CCC[C@@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000130158645 278496437 /nfs/dbraw/zinc/49/64/37/278496437.db2.gz WSISFNRAPCUERZ-GDBMZVCRSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422850668 278561962 /nfs/dbraw/zinc/56/19/62/278561962.db2.gz NYRWJLRUCSWPFP-MQYQWHSLSA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423325350 278796618 /nfs/dbraw/zinc/79/66/18/278796618.db2.gz BTBYZDQIFKDRHC-HOTGVXAUSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCC[C@H](C)[NH3+] ZINC000423226194 278867268 /nfs/dbraw/zinc/86/72/68/278867268.db2.gz PSBAPTRESASIKX-LRDDRELGSA-N 1 3 271.408 3.181 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(OC)cc1 ZINC000089142965 288087573 /nfs/dbraw/zinc/08/75/73/288087573.db2.gz YJOWZLZWIFHYGC-PVAVHDDUSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(OC)cc1 ZINC000089142965 288087578 /nfs/dbraw/zinc/08/75/78/288087578.db2.gz YJOWZLZWIFHYGC-PVAVHDDUSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000423302320 279289621 /nfs/dbraw/zinc/28/96/21/279289621.db2.gz VLOSQABUNWUNIK-QAPCUYQASA-N 1 3 274.452 3.362 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1nc2c(s1)CCCC2 ZINC000423468121 279477064 /nfs/dbraw/zinc/47/70/64/279477064.db2.gz JIXVVPVJXAHPMO-XQQFMLRXSA-N 1 3 293.480 3.190 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000474797462 279736411 /nfs/dbraw/zinc/73/64/11/279736411.db2.gz SIMMBQJEAQESTB-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000249060383 288161324 /nfs/dbraw/zinc/16/13/24/288161324.db2.gz JKIFDTIKWMFLKF-BBWFWOEESA-N 1 3 294.483 3.188 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000443434972 280184580 /nfs/dbraw/zinc/18/45/80/280184580.db2.gz FPZMMNDKXWIZFC-JKSUJKDBSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1nc2ccccc2c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000443434972 280184581 /nfs/dbraw/zinc/18/45/81/280184581.db2.gz FPZMMNDKXWIZFC-JKSUJKDBSA-N 1 3 295.430 3.312 20 0 CGADHO COc1ccc(C(C)(C)[NH2+]CC[C@H]2CCCN2C)cc1F ZINC000528676686 288216352 /nfs/dbraw/zinc/21/63/52/288216352.db2.gz VSYZBDFFQYKQSL-CQSZACIVSA-N 1 3 294.414 3.143 20 0 CGADHO CC1(C)CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000251137904 281050894 /nfs/dbraw/zinc/05/08/94/281050894.db2.gz INAJIJHBFYJATO-KKUMJFAQSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268874062 281059598 /nfs/dbraw/zinc/05/95/98/281059598.db2.gz DNCYTINHZIDSBT-QRTARXTBSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268874062 281059599 /nfs/dbraw/zinc/05/95/99/281059599.db2.gz DNCYTINHZIDSBT-QRTARXTBSA-N 1 3 258.409 3.055 20 0 CGADHO CCc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000530547497 288309373 /nfs/dbraw/zinc/30/93/73/288309373.db2.gz DHZSOVAZPBUZIG-ZDUSSCGKSA-N 1 3 280.843 3.334 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000331378587 281377389 /nfs/dbraw/zinc/37/73/89/281377389.db2.gz LYJPJGPFCGGUSZ-KWCYVHTRSA-N 1 3 262.397 3.010 20 0 CGADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422803636 282067240 /nfs/dbraw/zinc/06/72/40/282067240.db2.gz DCZCDOKEGSFFPU-GVDBMIGSSA-N 1 3 296.499 3.076 20 0 CGADHO CN(C)CC1(C[NH2+][C@H]2CCCc3occc32)CCCC1 ZINC000193287563 282075108 /nfs/dbraw/zinc/07/51/08/282075108.db2.gz YKCFSVVXCUUXPP-HNNXBMFYSA-N 1 3 276.424 3.369 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000533531841 288385459 /nfs/dbraw/zinc/38/54/59/288385459.db2.gz KNSDOMKRHLSFES-CRAIPNDOSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000533531841 288385461 /nfs/dbraw/zinc/38/54/61/288385461.db2.gz KNSDOMKRHLSFES-CRAIPNDOSA-N 1 3 274.452 3.411 20 0 CGADHO CC(C)(C[NH2+]C1CCN(CC2CC2)CC1)C(F)(F)F ZINC000549039235 289033265 /nfs/dbraw/zinc/03/32/65/289033265.db2.gz HROMBSFHKQOLAU-UHFFFAOYSA-N 1 3 278.362 3.039 20 0 CGADHO CC(C)(CNC1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000549039235 289033269 /nfs/dbraw/zinc/03/32/69/289033269.db2.gz HROMBSFHKQOLAU-UHFFFAOYSA-N 1 3 278.362 3.039 20 0 CGADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551176801 289100785 /nfs/dbraw/zinc/10/07/85/289100785.db2.gz FVDMZILAUQAXBK-SJORKVTESA-N 1 3 258.409 3.378 20 0 CGADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551176801 289100786 /nfs/dbraw/zinc/10/07/86/289100786.db2.gz FVDMZILAUQAXBK-SJORKVTESA-N 1 3 258.409 3.378 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)C2CCCCC2)CC1 ZINC000551275523 289108188 /nfs/dbraw/zinc/10/81/88/289108188.db2.gz VFDOKJIRGBIVNZ-INIZCTEOSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)C2CCCCC2)CC1 ZINC000551275523 289108190 /nfs/dbraw/zinc/10/81/90/289108190.db2.gz VFDOKJIRGBIVNZ-INIZCTEOSA-N 1 3 296.499 3.028 20 0 CGADHO CC1=CC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000552096426 289162221 /nfs/dbraw/zinc/16/22/21/289162221.db2.gz WVRXDIJBOMYXLE-QGZVFWFLSA-N 1 3 288.435 3.215 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000552321194 289181248 /nfs/dbraw/zinc/18/12/48/289181248.db2.gz LSSMUFXVURHJMO-TXCZRRACSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000552900951 289201908 /nfs/dbraw/zinc/20/19/08/289201908.db2.gz HUHLKOBQLFBACT-IXDOHACOSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1ccc(OCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000552900951 289201912 /nfs/dbraw/zinc/20/19/12/289201912.db2.gz HUHLKOBQLFBACT-IXDOHACOSA-N 1 3 290.451 3.001 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132856744 289213475 /nfs/dbraw/zinc/21/34/75/289213475.db2.gz SYTFOYVNAFUCSO-CXAGYDPISA-N 1 3 276.399 3.087 20 0 CGADHO CN(C)C[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132856744 289213477 /nfs/dbraw/zinc/21/34/77/289213477.db2.gz SYTFOYVNAFUCSO-CXAGYDPISA-N 1 3 276.399 3.087 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCC=C(C)C ZINC000554739439 289306871 /nfs/dbraw/zinc/30/68/71/289306871.db2.gz YIVJTTUXEMRASC-HZPDHXFCSA-N 1 3 252.446 3.443 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC000554739439 289306873 /nfs/dbraw/zinc/30/68/73/289306873.db2.gz YIVJTTUXEMRASC-HZPDHXFCSA-N 1 3 252.446 3.443 20 0 CGADHO CCCC[C@H]([NH2+]CCCN1CCCC1)C1CCC1 ZINC000557520880 289443878 /nfs/dbraw/zinc/44/38/78/289443878.db2.gz NLEAMEIQIZXFSK-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000314510104 290387415 /nfs/dbraw/zinc/38/74/15/290387415.db2.gz FHHXPSRRRTZKPI-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO COC[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512331880 293094287 /nfs/dbraw/zinc/09/42/87/293094287.db2.gz LVUYNFDRFPOIPO-IKGGRYGDSA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512331880 293094288 /nfs/dbraw/zinc/09/42/88/293094288.db2.gz LVUYNFDRFPOIPO-IKGGRYGDSA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331880 293094291 /nfs/dbraw/zinc/09/42/91/293094291.db2.gz LVUYNFDRFPOIPO-IKGGRYGDSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(Cl)cc1 ZINC000422749282 293261659 /nfs/dbraw/zinc/26/16/59/293261659.db2.gz YKDYKLKUXXQJRC-NSHDSACASA-N 1 3 289.810 3.353 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000370652702 294316461 /nfs/dbraw/zinc/31/64/61/294316461.db2.gz PGBVWNMGRVKQPA-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000370652702 294316464 /nfs/dbraw/zinc/31/64/64/294316464.db2.gz PGBVWNMGRVKQPA-HUUCEWRRSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423161791 298964341 /nfs/dbraw/zinc/96/43/41/298964341.db2.gz SHVNRJYPJKZTAW-BJDJZHNGSA-N 1 3 266.351 3.213 20 0 CGADHO C[C@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCCNC1 ZINC000414899501 300805097 /nfs/dbraw/zinc/80/50/97/300805097.db2.gz CKPUKBMDIDSEFJ-BPCQOVAHSA-N 1 3 278.362 3.087 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000414926260 303465871 /nfs/dbraw/zinc/46/58/71/303465871.db2.gz NDFOIICMQOMILC-TWMKSMIVSA-N 1 3 258.409 3.182 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000563777194 322009190 /nfs/dbraw/zinc/00/91/90/322009190.db2.gz DNWBRHGXVSIYRU-MRXNPFEDSA-N 1 3 292.467 3.399 20 0 CGADHO Cc1ccccc1C[C@H](C)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000564097925 322020580 /nfs/dbraw/zinc/02/05/80/322020580.db2.gz FSBFDBXJNTZKHH-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO Cc1ccccc1C[C@H](C)N(C)CC[C@H]1CCC[N@H+]1C ZINC000564097925 322020582 /nfs/dbraw/zinc/02/05/82/322020582.db2.gz FSBFDBXJNTZKHH-FUHWJXTLSA-N 1 3 274.452 3.342 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc2c(c1)COC2 ZINC000567111630 322150814 /nfs/dbraw/zinc/15/08/14/322150814.db2.gz QPQOHDOQQVBFCL-CYBMUJFWSA-N 1 3 282.387 3.026 20 0 CGADHO COc1ccsc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000567236198 322155498 /nfs/dbraw/zinc/15/54/98/322155498.db2.gz WTDZYQBRRAHOQN-LLVKDONJSA-N 1 3 276.405 3.066 20 0 CGADHO CC[NH2+]CCCN[C@@H](CSc1ccccc1)C(C)C ZINC000567638888 322171622 /nfs/dbraw/zinc/17/16/22/322171622.db2.gz SDXYNAVWRRNCOQ-INIZCTEOSA-N 1 3 280.481 3.393 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000567868187 322180810 /nfs/dbraw/zinc/18/08/10/322180810.db2.gz VVSGEMHFNWTVBZ-NNXHMXCWSA-N 1 3 294.483 3.185 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000568050813 322189740 /nfs/dbraw/zinc/18/97/40/322189740.db2.gz GVOYBVHASGVLNZ-INIZCTEOSA-N 1 3 258.409 3.001 20 0 CGADHO CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000569501560 322248952 /nfs/dbraw/zinc/24/89/52/322248952.db2.gz FNYFWBKOIFTFFU-QWHCGFSZSA-N 1 3 282.815 3.098 20 0 CGADHO CCc1ccc2nccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000570131523 322265448 /nfs/dbraw/zinc/26/54/48/322265448.db2.gz FXCRDQVULIHTOJ-HNNXBMFYSA-N 1 3 295.430 3.115 20 0 CGADHO CCc1ccc2nccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000570131523 322265450 /nfs/dbraw/zinc/26/54/50/322265450.db2.gz FXCRDQVULIHTOJ-HNNXBMFYSA-N 1 3 295.430 3.115 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000570985056 322287338 /nfs/dbraw/zinc/28/73/38/322287338.db2.gz CKNQWDMEGBWJGW-ZJPYXAASSA-N 1 3 272.436 3.430 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)C(C)(C)c1ccccc1 ZINC000571073349 322289013 /nfs/dbraw/zinc/28/90/13/322289013.db2.gz WEMGYQIBJOVEOO-HNNXBMFYSA-N 1 3 262.441 3.330 20 0 CGADHO CC1=CC[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)CC1 ZINC000571946259 322313075 /nfs/dbraw/zinc/31/30/75/322313075.db2.gz ZMIKQQLMTPDSCE-QGZVFWFLSA-N 1 3 258.409 3.337 20 0 CGADHO CCC[C@@H](Cc1ccccc1)NCCC[NH2+]C(C)C ZINC000572234365 322326233 /nfs/dbraw/zinc/32/62/33/322326233.db2.gz WVLCWECDTDDNHC-KRWDZBQOSA-N 1 3 262.441 3.376 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CCCNC(C)C ZINC000572234365 322326236 /nfs/dbraw/zinc/32/62/36/322326236.db2.gz WVLCWECDTDDNHC-KRWDZBQOSA-N 1 3 262.441 3.376 20 0 CGADHO Cc1c(Br)cccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000573221025 322377037 /nfs/dbraw/zinc/37/70/37/322377037.db2.gz XCNWGJPSQWOYKV-OLZOCXBDSA-N 1 3 297.240 3.117 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000573324183 322382030 /nfs/dbraw/zinc/38/20/30/322382030.db2.gz JNGVXAPKXYINBL-IUODEOHRSA-N 1 3 294.389 3.347 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2cccs2)C2CC2)C1 ZINC000573623747 322397812 /nfs/dbraw/zinc/39/78/12/322397812.db2.gz DZJBDAPVCWXGHA-MBNYWOFBSA-N 1 3 250.411 3.059 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](C)c1sccc1Br ZINC000583375712 327332367 /nfs/dbraw/zinc/33/23/67/327332367.db2.gz SGKQWXFALGXXHR-BDAKNGLRSA-N 1 3 291.258 3.289 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000582501862 329098150 /nfs/dbraw/zinc/09/81/50/329098150.db2.gz SPDHEEUXCXOZSS-HNNXBMFYSA-N 1 3 254.462 3.236 20 0 CGADHO CC(C)COc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000576292132 335185101 /nfs/dbraw/zinc/18/51/01/335185101.db2.gz CWGXAEBJPGBNHP-SJORKVTESA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000576292132 335185102 /nfs/dbraw/zinc/18/51/02/335185102.db2.gz CWGXAEBJPGBNHP-SJORKVTESA-N 1 3 290.451 3.123 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718047 335239854 /nfs/dbraw/zinc/23/98/54/335239854.db2.gz PGHNWFJRODDRDA-OLZOCXBDSA-N 1 3 294.389 3.246 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3c(F)cccc3F)CCC2)C1 ZINC000576718047 335239855 /nfs/dbraw/zinc/23/98/55/335239855.db2.gz PGHNWFJRODDRDA-OLZOCXBDSA-N 1 3 294.389 3.246 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000577528086 335365424 /nfs/dbraw/zinc/36/54/24/335365424.db2.gz CVFPWKVIYKLDFO-IRXDYDNUSA-N 1 3 274.452 3.386 20 0 CGADHO CC(C)(C)c1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577528086 335365425 /nfs/dbraw/zinc/36/54/25/335365425.db2.gz CVFPWKVIYKLDFO-IRXDYDNUSA-N 1 3 274.452 3.386 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000577600775 335376228 /nfs/dbraw/zinc/37/62/28/335376228.db2.gz GTZAXEHXFDYOHW-UAGQMJEPSA-N 1 3 294.389 3.018 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000579342379 335735927 /nfs/dbraw/zinc/73/59/27/335735927.db2.gz JEXOTLPZBJOKSU-JTQLQIEISA-N 1 3 268.763 3.049 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2c1C ZINC000579859352 335911342 /nfs/dbraw/zinc/91/13/42/335911342.db2.gz PEVYFNAMXHZHJZ-HUUCEWRRSA-N 1 3 271.408 3.144 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516188 336092769 /nfs/dbraw/zinc/09/27/69/336092769.db2.gz ZYFDAUIMZWZZLY-SJORKVTESA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3occc3c2)C1 ZINC000581516188 336092770 /nfs/dbraw/zinc/09/27/70/336092770.db2.gz ZYFDAUIMZWZZLY-SJORKVTESA-N 1 3 284.403 3.349 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000037643980 521710766 /nfs/dbraw/zinc/71/07/66/521710766.db2.gz FGPJKZUCASHMQO-STQMWFEESA-N 1 3 266.816 3.332 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000423349950 533982719 /nfs/dbraw/zinc/98/27/19/533982719.db2.gz WSELSMUJVDSMPO-CXAGYDPISA-N 1 3 296.405 3.265 20 0 CGADHO CS[C@@H]1CC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000358768640 533984005 /nfs/dbraw/zinc/98/40/05/533984005.db2.gz GCWYCYZHGUPPKH-JKSUJKDBSA-N 1 3 282.497 3.267 20 0 CGADHO CS[C@@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000358768640 533984011 /nfs/dbraw/zinc/98/40/11/533984011.db2.gz GCWYCYZHGUPPKH-JKSUJKDBSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N(C)CCC1CC[NH2+]CC1 ZINC000359228657 534044327 /nfs/dbraw/zinc/04/43/27/534044327.db2.gz XDMXUWWBXVBINU-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CCCc2ccccc2C)C1 ZINC000084678480 520255396 /nfs/dbraw/zinc/25/53/96/520255396.db2.gz MNQOTUFFJVQVAM-QGZVFWFLSA-N 1 3 274.452 3.201 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CCCc2ccccc2C)C1 ZINC000084678480 520255401 /nfs/dbraw/zinc/25/54/01/520255401.db2.gz MNQOTUFFJVQVAM-QGZVFWFLSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000084678480 520255409 /nfs/dbraw/zinc/25/54/09/520255409.db2.gz MNQOTUFFJVQVAM-QGZVFWFLSA-N 1 3 274.452 3.201 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000084678480 520255412 /nfs/dbraw/zinc/25/54/12/520255412.db2.gz MNQOTUFFJVQVAM-QGZVFWFLSA-N 1 3 274.452 3.201 20 0 CGADHO Fc1ccc([C@H](NCC2=CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423347377 534493361 /nfs/dbraw/zinc/49/33/61/534493361.db2.gz QGYFRQONRYJPNJ-LJQANCHMSA-N 1 3 296.389 3.424 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643691 521717593 /nfs/dbraw/zinc/71/75/93/521717593.db2.gz LKYWXHUFCHKFAR-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643691 521717596 /nfs/dbraw/zinc/71/75/96/521717596.db2.gz LKYWXHUFCHKFAR-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643691 521717597 /nfs/dbraw/zinc/71/75/97/521717597.db2.gz LKYWXHUFCHKFAR-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[N@H+]1C[C@H]2CN(CCc3ccc(C(C)(C)C)cc3)C[C@H]2C1 ZINC000291508925 524017377 /nfs/dbraw/zinc/01/73/77/524017377.db2.gz IDRCKLBKERSAMA-CALCHBBNSA-N 1 3 286.463 3.020 20 0 CGADHO C[N@@H+]1C[C@H]2CN(CCc3ccc(C(C)(C)C)cc3)C[C@H]2C1 ZINC000291508925 524017380 /nfs/dbraw/zinc/01/73/80/524017380.db2.gz IDRCKLBKERSAMA-CALCHBBNSA-N 1 3 286.463 3.020 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608798 525363095 /nfs/dbraw/zinc/36/30/95/525363095.db2.gz FYQYMEWAJNVZIL-DOTOQJQBSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608798 525363104 /nfs/dbraw/zinc/36/31/04/525363104.db2.gz FYQYMEWAJNVZIL-DOTOQJQBSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(-n2cccn2)c1 ZINC000183608798 525363112 /nfs/dbraw/zinc/36/31/12/525363112.db2.gz FYQYMEWAJNVZIL-DOTOQJQBSA-N 1 3 298.434 3.007 20 0 CGADHO Cc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000049159321 525723562 /nfs/dbraw/zinc/72/35/62/525723562.db2.gz ZDNPKVCEOZLULS-RLAWYHOSSA-N 1 3 264.438 3.332 20 0 CGADHO Cc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000049159321 525723566 /nfs/dbraw/zinc/72/35/66/525723566.db2.gz ZDNPKVCEOZLULS-RLAWYHOSSA-N 1 3 264.438 3.332 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425934956 534878926 /nfs/dbraw/zinc/87/89/26/534878926.db2.gz BJQLWCCLLLBLAO-VXGBXAGGSA-N 1 3 283.485 3.423 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425934954 534879037 /nfs/dbraw/zinc/87/90/37/534879037.db2.gz BJQLWCCLLLBLAO-NWDGAFQWSA-N 1 3 283.485 3.423 20 0 CGADHO Cc1cncc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000184267488 526214029 /nfs/dbraw/zinc/21/40/29/526214029.db2.gz ACPPHYZRMRDNDU-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO C1[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CCC1 ZINC000424372164 526424013 /nfs/dbraw/zinc/42/40/13/526424013.db2.gz HHQDSINQYHJTAN-FIDHJVLJSA-N 1 3 262.441 3.075 20 0 CGADHO C1[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)[C@@H]1C1CCC1 ZINC000424372164 526424015 /nfs/dbraw/zinc/42/40/15/526424015.db2.gz HHQDSINQYHJTAN-FIDHJVLJSA-N 1 3 262.441 3.075 20 0 CGADHO c1csc(CN2CCC(C[NH2+]Cc3cc[nH]c3)CC2)c1 ZINC000086252275 526579483 /nfs/dbraw/zinc/57/94/83/526579483.db2.gz GEAQTAGZOHGNGB-UHFFFAOYSA-N 1 3 289.448 3.078 20 0 CGADHO Cc1nc(C)c([C@@H](C)[NH2+]CCCN2CCCCC2)s1 ZINC000111359982 526744933 /nfs/dbraw/zinc/74/49/33/526744933.db2.gz NVGZTJKRGUERAN-GFCCVEGCSA-N 1 3 281.469 3.287 20 0 CGADHO CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424334667 526796066 /nfs/dbraw/zinc/79/60/66/526796066.db2.gz NUTIPWQIPOLDJF-IAGOWNOFSA-N 1 3 290.451 3.222 20 0 CGADHO C(C1CCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000173644269 527475380 /nfs/dbraw/zinc/47/53/80/527475380.db2.gz LRDVAUVYXPIPHW-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423445734 527782805 /nfs/dbraw/zinc/78/28/05/527782805.db2.gz NEVAJTIYSIHHGY-ILXRZTDVSA-N 1 3 278.440 3.498 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](CC)CC(F)(F)F)CC1 ZINC000354971569 528204104 /nfs/dbraw/zinc/20/41/04/528204104.db2.gz LSHWPYAERANMHB-NSHDSACASA-N 1 3 266.351 3.181 20 0 CGADHO CCC[C@H](NCC1=CC[NH2+]CC1)c1ccsc1 ZINC000423343485 528216716 /nfs/dbraw/zinc/21/67/16/528216716.db2.gz LWXGGIHLSPDQCW-AWEZNQCLSA-N 1 3 250.411 3.099 20 0 CGADHO CCC[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccsc1 ZINC000425952826 528224744 /nfs/dbraw/zinc/22/47/44/528224744.db2.gz ULHMUERKVPADEQ-JSGCOSHPSA-N 1 3 254.443 3.377 20 0 CGADHO CCC[C@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CCC1 ZINC000423404783 528229216 /nfs/dbraw/zinc/22/92/16/528229216.db2.gz XRSPVOWGSYUVGN-KRWDZBQOSA-N 1 3 258.409 3.348 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000177243994 528255194 /nfs/dbraw/zinc/25/51/94/528255194.db2.gz VMRNZBBFLAHEST-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000423494092 528315553 /nfs/dbraw/zinc/31/55/53/528315553.db2.gz CUTWAVBQFHTUOZ-TUAOUCFPSA-N 1 3 267.442 3.045 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000423287769 528951189 /nfs/dbraw/zinc/95/11/89/528951189.db2.gz OLKNCCWCGKAIDI-KRWDZBQOSA-N 1 3 290.451 3.123 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000423284487 529070867 /nfs/dbraw/zinc/07/08/67/529070867.db2.gz YCQZQKJWXPZPOZ-BXUZGUMPSA-N 1 3 288.357 3.209 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271360 529071958 /nfs/dbraw/zinc/07/19/58/529071958.db2.gz IZZLEWZLYYRBIA-CABCVRRESA-N 1 3 266.816 3.364 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(F)c(F)c1 ZINC000425933522 529122571 /nfs/dbraw/zinc/12/25/71/529122571.db2.gz VAXYEWAXEZUWBZ-LRDDRELGSA-N 1 3 284.394 3.449 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CCC1 ZINC000449286747 529155029 /nfs/dbraw/zinc/15/50/29/529155029.db2.gz VFOCQWKUFWKEME-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@H]2CCCN(CC)C2)c1 ZINC000479480846 535432030 /nfs/dbraw/zinc/43/20/30/535432030.db2.gz TWOLMTGJKKDTRL-GOSISDBHSA-N 1 3 274.452 3.461 20 0 CGADHO CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459598847 536032784 /nfs/dbraw/zinc/03/27/84/536032784.db2.gz QPPLXYRYHCJOCC-MSOLQXFVSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCNCC1(C)C)c1ccccc1 ZINC000311889003 572349957 /nfs/dbraw/zinc/34/99/57/572349957.db2.gz VZRKOYUOMIQMFB-GDBMZVCRSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@H](CCN[C@@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000311889003 572349959 /nfs/dbraw/zinc/34/99/59/572349959.db2.gz VZRKOYUOMIQMFB-GDBMZVCRSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H](C)c2nccs2)CC1 ZINC000926159166 618209472 /nfs/dbraw/zinc/20/94/72/618209472.db2.gz AKIZVESQSJAAHL-AWEZNQCLSA-N 1 3 295.496 3.347 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H](C)c2nccs2)CC1 ZINC000926159166 618209474 /nfs/dbraw/zinc/20/94/74/618209474.db2.gz AKIZVESQSJAAHL-AWEZNQCLSA-N 1 3 295.496 3.347 20 0 CGADHO CC[NH2+][C@H](C)c1ccc(OC)c(CN(CC)CC)c1 ZINC000043809454 618611466 /nfs/dbraw/zinc/61/14/66/618611466.db2.gz LVOPLVQZSJQOBG-CYBMUJFWSA-N 1 3 264.413 3.208 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000892584367 618867724 /nfs/dbraw/zinc/86/77/24/618867724.db2.gz JNXWILGDGTVZHH-CQSZACIVSA-N 1 3 294.414 3.276 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000892584367 618867726 /nfs/dbraw/zinc/86/77/26/618867726.db2.gz JNXWILGDGTVZHH-CQSZACIVSA-N 1 3 294.414 3.276 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1(C2CC2)CCC1 ZINC000925624207 619095181 /nfs/dbraw/zinc/09/51/81/619095181.db2.gz WQZPWGPEEGUWHO-IRXDYDNUSA-N 1 3 276.468 3.325 20 0 CGADHO CCSC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925711653 619157614 /nfs/dbraw/zinc/15/76/14/619157614.db2.gz ZIYZYEPEFAOOIP-GJZGRUSLSA-N 1 3 282.497 3.030 20 0 CGADHO CC(C)([NH3+])CCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000925739330 619212558 /nfs/dbraw/zinc/21/25/58/619212558.db2.gz WBSNGNYOSIVKRR-CJNGLKHVSA-N 1 3 294.414 3.010 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000925756304 619220273 /nfs/dbraw/zinc/22/02/73/619220273.db2.gz KOGLDYHAGPKSRG-CABCVRRESA-N 1 3 282.472 3.029 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925779190 619241716 /nfs/dbraw/zinc/24/17/16/619241716.db2.gz MFTCOKRRXYXDGW-IUODEOHRSA-N 1 3 282.378 3.144 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C[C@@H]2CCc3ccccc32)CC1 ZINC000893860279 619323537 /nfs/dbraw/zinc/32/35/37/619323537.db2.gz ZKNUDSVJQDQVIZ-KRWDZBQOSA-N 1 3 284.447 3.277 20 0 CGADHO CN1CCC2(CCC[N@H+]2C[C@@H]2CCc3ccccc32)CC1 ZINC000893860279 619323539 /nfs/dbraw/zinc/32/35/39/619323539.db2.gz ZKNUDSVJQDQVIZ-KRWDZBQOSA-N 1 3 284.447 3.277 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000894456812 619543420 /nfs/dbraw/zinc/54/34/20/619543420.db2.gz REVJVYYABYTSCV-RDJZCZTQSA-N 1 3 272.436 3.036 20 0 CGADHO C[C@H]1COC[C@H](C)C1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925205474 620229417 /nfs/dbraw/zinc/22/94/17/620229417.db2.gz IYPQQZMDQQQVIO-GJZGRUSLSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000897500284 620355142 /nfs/dbraw/zinc/35/51/42/620355142.db2.gz DPCQYIHKMRKVJX-ZWKOTPCHSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000926972925 620557250 /nfs/dbraw/zinc/55/72/50/620557250.db2.gz IVXOJHQIABSODT-DTZQCDIJSA-N 1 3 294.389 3.108 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000926972925 620557256 /nfs/dbraw/zinc/55/72/56/620557256.db2.gz IVXOJHQIABSODT-DTZQCDIJSA-N 1 3 294.389 3.108 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2coc3ccccc23)C1 ZINC000924705884 620569403 /nfs/dbraw/zinc/56/94/03/620569403.db2.gz NCCMKWACANYOMM-KBPBESRZSA-N 1 3 272.392 3.425 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCCc2cc3ccccc3o2)C1 ZINC000902348057 621258634 /nfs/dbraw/zinc/25/86/34/621258634.db2.gz QTFLVOAVJACLGB-OAHLLOKOSA-N 1 3 286.419 3.343 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902374789 621278825 /nfs/dbraw/zinc/27/88/25/621278825.db2.gz CVLLMEUKQHYWEO-QGZVFWFLSA-N 1 3 289.467 3.376 20 0 CGADHO C1CCC([C@H]2CNCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902442252 621320744 /nfs/dbraw/zinc/32/07/44/621320744.db2.gz AORRKLVFLGTEDX-VEDBGLOESA-N 1 3 294.508 3.171 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902451070 621329992 /nfs/dbraw/zinc/32/99/92/621329992.db2.gz FFBPCCOYXIELNM-YPMHNXCESA-N 1 3 293.480 3.174 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CCOCC1 ZINC000902755461 621426482 /nfs/dbraw/zinc/42/64/82/621426482.db2.gz PHMOETJYNQWUIT-FUHWJXTLSA-N 1 3 296.499 3.149 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000902793600 621450232 /nfs/dbraw/zinc/45/02/32/621450232.db2.gz LCOUAQFJPRZEEL-YESZJQIVSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903182277 621616131 /nfs/dbraw/zinc/61/61/31/621616131.db2.gz BUEFTURWRPPMKG-MOUFXGFKSA-N 1 3 292.467 3.082 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903182277 621616134 /nfs/dbraw/zinc/61/61/34/621616134.db2.gz BUEFTURWRPPMKG-MOUFXGFKSA-N 1 3 292.467 3.082 20 0 CGADHO C[C@H]1C[C@@H](c2cccc(F)c2)N(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438979 621748500 /nfs/dbraw/zinc/74/85/00/621748500.db2.gz AAVZPQWHKWPLEI-YXPYIKCWSA-N 1 3 276.399 3.064 20 0 CGADHO CC(C)([NH3+])CCNCc1ccc(SC(F)F)cc1 ZINC000903938430 621835202 /nfs/dbraw/zinc/83/52/02/621835202.db2.gz ADQZPRDXNLOWJH-UHFFFAOYSA-N 1 3 274.380 3.218 20 0 CGADHO C[C@]1(CN2CCCCC[C@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301198 621902002 /nfs/dbraw/zinc/90/20/02/621902002.db2.gz AWAXKYLMWSEHRS-ROUUACIJSA-N 1 3 287.451 3.388 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342221 621909306 /nfs/dbraw/zinc/90/93/06/621909306.db2.gz ZULRIRNOMKPEQQ-IAGOWNOFSA-N 1 3 289.467 3.100 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000904342221 621909310 /nfs/dbraw/zinc/90/93/10/621909310.db2.gz ZULRIRNOMKPEQQ-IAGOWNOFSA-N 1 3 289.467 3.100 20 0 CGADHO Nc1ccncc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC000904767504 621980525 /nfs/dbraw/zinc/98/05/25/621980525.db2.gz UNCBGCQEBKZZMR-UHFFFAOYSA-N 1 3 267.376 3.147 20 0 CGADHO NC1CC([NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000906510478 622241488 /nfs/dbraw/zinc/24/14/88/622241488.db2.gz JLHRQLQVVOHBIO-UHFFFAOYSA-N 1 3 287.234 3.395 20 0 CGADHO [NH3+]CCC[C@@H](NCc1ccc(Cl)nc1)c1ccccc1 ZINC000841085815 622359257 /nfs/dbraw/zinc/35/92/57/622359257.db2.gz BTZFOMBCJFYBLB-OAHLLOKOSA-N 1 3 289.810 3.305 20 0 CGADHO FC(F)(F)SCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000231938534 623350527 /nfs/dbraw/zinc/35/05/27/623350527.db2.gz ZULZMKQOOSBKAE-SDDRHHMPSA-N 1 3 296.402 3.140 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637825 623491353 /nfs/dbraw/zinc/49/13/53/623491353.db2.gz QBZCUZQXJHRVRU-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000929637825 623491356 /nfs/dbraw/zinc/49/13/56/623491356.db2.gz QBZCUZQXJHRVRU-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000152893996 623732027 /nfs/dbraw/zinc/73/20/27/623732027.db2.gz PDAVFZKFHDPKJR-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000152893996 623732047 /nfs/dbraw/zinc/73/20/47/623732047.db2.gz PDAVFZKFHDPKJR-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1F ZINC000923300717 626143899 /nfs/dbraw/zinc/14/38/99/626143899.db2.gz KCMCEMFGGCSLNH-SFESLNEESA-N 1 3 294.389 3.317 20 0 CGADHO C(C[C@@H]1CCOC1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000753591979 626457286 /nfs/dbraw/zinc/45/72/86/626457286.db2.gz UXXYDQOXWHYSPU-QGZVFWFLSA-N 1 3 294.483 3.047 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCc3cc(C)ccc32)C1 ZINC000765293042 627245367 /nfs/dbraw/zinc/24/53/67/627245367.db2.gz YUUSHIXZPKGVNQ-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCc3cc(C)ccc32)C1 ZINC000765293042 627245368 /nfs/dbraw/zinc/24/53/68/627245368.db2.gz YUUSHIXZPKGVNQ-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO COc1ccc2c(c1)nccc2N1CC[NH+](CC(C)C)CC1 ZINC000765453113 627250556 /nfs/dbraw/zinc/25/05/56/627250556.db2.gz LMYYIENBOBASHS-UHFFFAOYSA-N 1 3 299.418 3.021 20 0 CGADHO COc1ccc2c(c1)nccc2NCC[NH+]1CCCCC1 ZINC000765466420 627251596 /nfs/dbraw/zinc/25/15/96/627251596.db2.gz OYXHIWGRTNOBSM-UHFFFAOYSA-N 1 3 285.391 3.141 20 0 CGADHO COc1cccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000768164212 627464907 /nfs/dbraw/zinc/46/49/07/627464907.db2.gz XZNDHHANHDJCDM-UHFFFAOYSA-N 1 3 298.430 3.389 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292984 628479722 /nfs/dbraw/zinc/47/97/22/628479722.db2.gz OZIMITGKCBVTFE-IEBWSBKVSA-N 1 3 298.474 3.380 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292984 628479724 /nfs/dbraw/zinc/47/97/24/628479724.db2.gz OZIMITGKCBVTFE-IEBWSBKVSA-N 1 3 298.474 3.380 20 0 CGADHO Cc1ccc([C@@H](NCCCC[NH+](C)C)c2ccccn2)cc1 ZINC000791636527 629293725 /nfs/dbraw/zinc/29/37/25/629293725.db2.gz DFWQMAGZAUKOJY-LJQANCHMSA-N 1 3 297.446 3.411 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000865412451 630109881 /nfs/dbraw/zinc/10/98/81/630109881.db2.gz OZWNMAMFRMMHRV-CYBMUJFWSA-N 1 3 278.827 3.222 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(SC(F)F)cc1)CN(C)C ZINC000813786032 631461166 /nfs/dbraw/zinc/46/11/66/631461166.db2.gz JQHQQTZGVGEPAM-NSHDSACASA-N 1 3 288.407 3.289 20 0 CGADHO NCCC[N@H+](CC[C@@H]1CC1(Cl)Cl)CC1CCCC1 ZINC000843384968 635657106 /nfs/dbraw/zinc/65/71/06/635657106.db2.gz MJPHTZOPILQSLH-CYBMUJFWSA-N 1 3 293.282 3.411 20 0 CGADHO NCCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC1CCCC1 ZINC000843384968 635657114 /nfs/dbraw/zinc/65/71/14/635657114.db2.gz MJPHTZOPILQSLH-CYBMUJFWSA-N 1 3 293.282 3.411 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000815556241 631794048 /nfs/dbraw/zinc/79/40/48/631794048.db2.gz QZZBWGDZHFDUAT-CYBMUJFWSA-N 1 3 276.399 3.412 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000817946577 632243692 /nfs/dbraw/zinc/24/36/92/632243692.db2.gz AAGAMZHIEFSMNT-JYJNAYRXSA-N 1 3 290.451 3.351 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000817959673 632255177 /nfs/dbraw/zinc/25/51/77/632255177.db2.gz FYVSWSFEYQLAAI-CQSZACIVSA-N 1 3 278.440 3.480 20 0 CGADHO COc1c(C)cc([C@H](C)[NH2+]CC2(N)CCC2)cc1Cl ZINC000817964392 632258772 /nfs/dbraw/zinc/25/87/72/632258772.db2.gz AYJLJVFDBJNOIW-NSHDSACASA-N 1 3 282.815 3.189 20 0 CGADHO Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000866396640 633122374 /nfs/dbraw/zinc/12/23/74/633122374.db2.gz AUPNJYJGOBGWQG-AEFFLSMTSA-N 1 3 274.452 3.248 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCOC2(CCCC2)C1)N1CCCCC1 ZINC000872062827 633984900 /nfs/dbraw/zinc/98/49/00/633984900.db2.gz QQRNTBHAZDCQFU-IRXDYDNUSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@H](CC(C)(C)C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873210765 634286047 /nfs/dbraw/zinc/28/60/47/634286047.db2.gz ANKXQXABABYKCU-LLVKDONJSA-N 1 3 266.454 3.308 20 0 CGADHO C[C@@H](CCCC(F)(F)F)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234148 634295363 /nfs/dbraw/zinc/29/53/63/634295363.db2.gz CCGMRIISORWRMS-NWDGAFQWSA-N 1 3 280.378 3.475 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)c2ccccc21 ZINC000873275386 634315250 /nfs/dbraw/zinc/31/52/50/634315250.db2.gz KUVJSOCAFLHWOF-IKGGRYGDSA-N 1 3 286.419 3.213 20 0 CGADHO CSC(C)(C)CC[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000877020495 634952668 /nfs/dbraw/zinc/95/26/68/634952668.db2.gz VRZCQCGAVOLUFS-AWEZNQCLSA-N 1 3 272.502 3.228 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3ncccc23)C1 ZINC000877531749 635075466 /nfs/dbraw/zinc/07/54/66/635075466.db2.gz QYVLDYYFFRDFKR-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3ncccc23)C1 ZINC000877531749 635075469 /nfs/dbraw/zinc/07/54/69/635075469.db2.gz QYVLDYYFFRDFKR-APWZRJJASA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744899 635179465 /nfs/dbraw/zinc/17/94/65/635179465.db2.gz YTYZUBYQFLIXDJ-AEFFLSMTSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744899 635179467 /nfs/dbraw/zinc/17/94/67/635179467.db2.gz YTYZUBYQFLIXDJ-AEFFLSMTSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000990 635895152 /nfs/dbraw/zinc/89/51/52/635895152.db2.gz ORKRMNGRBDXGJR-QWHCGFSZSA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000990 635895155 /nfs/dbraw/zinc/89/51/55/635895155.db2.gz ORKRMNGRBDXGJR-QWHCGFSZSA-N 1 3 278.362 3.135 20 0 CGADHO C[C@@H](NCCC[C@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844922963 635985357 /nfs/dbraw/zinc/98/53/57/635985357.db2.gz DPLQKDXCDFMACE-WOPDTQHZSA-N 1 3 279.255 3.081 20 0 CGADHO CC(C)[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000128992713 636106824 /nfs/dbraw/zinc/10/68/24/636106824.db2.gz VEWLVDIBENBIEH-CVEARBPZSA-N 1 3 264.388 3.255 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883185620 636570557 /nfs/dbraw/zinc/57/05/57/636570557.db2.gz AVLLVEXJSPTVEO-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)c1ccccc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000848536998 636594778 /nfs/dbraw/zinc/59/47/78/636594778.db2.gz ZFZPPVCQBCNDEM-OAHLLOKOSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)c1ccccc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000848536998 636594780 /nfs/dbraw/zinc/59/47/80/636594780.db2.gz ZFZPPVCQBCNDEM-OAHLLOKOSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)CCC[C@H](C)NC(=[NH2+])NCC1(N(C)C)CCCC1 ZINC000849056800 636733584 /nfs/dbraw/zinc/73/35/84/636733584.db2.gz QZGXEETUSTYELR-HNNXBMFYSA-N 1 3 296.503 3.190 20 0 CGADHO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000849053470 636733755 /nfs/dbraw/zinc/73/37/55/636733755.db2.gz MATSXHTVBRPUCK-MRXNPFEDSA-N 1 3 298.519 3.434 20 0 CGADHO CCCCCCNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000849064463 636737389 /nfs/dbraw/zinc/73/73/89/636737389.db2.gz CEAOLTIYJXWILM-WBVHZDCISA-N 1 3 296.503 3.191 20 0 CGADHO FC1(F)CCC[C@@H]1CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000883423953 636751269 /nfs/dbraw/zinc/75/12/69/636751269.db2.gz ABCOHGCXMJGGSB-RBSFLKMASA-N 1 3 286.410 3.276 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1CN ZINC000883433638 636753761 /nfs/dbraw/zinc/75/37/61/636753761.db2.gz VNYAAMNNIGRCGW-RFGFWPKPSA-N 1 3 274.399 3.117 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1CN ZINC000883433638 636753774 /nfs/dbraw/zinc/75/37/74/636753774.db2.gz VNYAAMNNIGRCGW-RFGFWPKPSA-N 1 3 274.399 3.117 20 0 CGADHO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(C)c1 ZINC000850174500 636973747 /nfs/dbraw/zinc/97/37/47/636973747.db2.gz RHJCDVOMEHMXFR-IRXDYDNUSA-N 1 3 290.451 3.356 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(C(C)(C)C)s1 ZINC000215984199 637106044 /nfs/dbraw/zinc/10/60/44/637106044.db2.gz VECVBUPHYOMNSF-RYUDHWBXSA-N 1 3 266.454 3.215 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938018 637320491 /nfs/dbraw/zinc/32/04/91/637320491.db2.gz PGIVWYUDSBXYDT-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO CC1([NH+]2CCCC2)CCC(NCc2ccco2)CC1 ZINC000886489163 637538927 /nfs/dbraw/zinc/53/89/27/637538927.db2.gz BIBUWWXNWZUACL-UHFFFAOYSA-N 1 3 262.397 3.166 20 0 CGADHO ClC(Cl)=CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000852749013 637706910 /nfs/dbraw/zinc/70/69/10/637706910.db2.gz GHZMNWIMCRTJBJ-NWDGAFQWSA-N 1 3 277.239 3.017 20 0 CGADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[C@@H]2C2CC2)cc1 ZINC000854224753 638027796 /nfs/dbraw/zinc/02/77/96/638027796.db2.gz QVVMEXMLWHFTTO-OWSLCNJRSA-N 1 3 288.410 3.049 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924618411 638378338 /nfs/dbraw/zinc/37/83/38/638378338.db2.gz ZIRRZXAAYXCUNM-WMZOPIPTSA-N 1 3 289.467 3.113 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)CN1CCCCC1 ZINC000924723366 638395677 /nfs/dbraw/zinc/39/56/77/638395677.db2.gz YDESCNLPAJHERU-FGTMMUONSA-N 1 3 296.499 3.029 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959906 638432537 /nfs/dbraw/zinc/43/25/37/638432537.db2.gz MRKMGGCOSRMSGB-NXOAAHMSSA-N 1 3 262.441 3.051 20 0 CGADHO CO[C@H](CNC1CC[NH+](CCC(C)C)CC1)C(C)(C)C ZINC000925186999 638471134 /nfs/dbraw/zinc/47/11/34/638471134.db2.gz AYQAMHICELHDMP-MRXNPFEDSA-N 1 3 284.488 3.148 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H](c2cccs2)C2CC2)C12CCC2 ZINC000925513468 638515391 /nfs/dbraw/zinc/51/53/91/638515391.db2.gz GSWLDISEFHPOHR-MCIONIFRSA-N 1 3 262.422 3.059 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925609640 638543498 /nfs/dbraw/zinc/54/34/98/638543498.db2.gz AGRVMWNEJRILMV-IRXDYDNUSA-N 1 3 296.499 3.076 20 0 CGADHO Cc1cnccc1CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925631731 638550567 /nfs/dbraw/zinc/55/05/67/638550567.db2.gz XAXODVGNNATCHW-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO CC(C)=CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925655408 638558467 /nfs/dbraw/zinc/55/84/67/638558467.db2.gz ARHAVTPOCJSWKQ-CVEARBPZSA-N 1 3 250.430 3.101 20 0 CGADHO FC1(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCC1 ZINC000925673329 638564917 /nfs/dbraw/zinc/56/49/17/638564917.db2.gz NKOMCPPFLSPMCU-GJZGRUSLSA-N 1 3 268.420 3.027 20 0 CGADHO c1[nH]nc2c1CCC[C@@H]2NCCCCC[NH+]1CCCCC1 ZINC000857853332 638578220 /nfs/dbraw/zinc/57/82/20/638578220.db2.gz CDZLNZGFPBYNCG-INIZCTEOSA-N 1 3 290.455 3.033 20 0 CGADHO CCC(CC)(CN[C@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925734099 638587698 /nfs/dbraw/zinc/58/76/98/638587698.db2.gz NIWAXVRIIRMQRU-MNOVXSKESA-N 1 3 278.362 3.215 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1C[C@@H](N)C12CCC2)C(F)(F)F ZINC000925734099 638587705 /nfs/dbraw/zinc/58/77/05/638587705.db2.gz NIWAXVRIIRMQRU-MNOVXSKESA-N 1 3 278.362 3.215 20 0 CGADHO CC(C)([NH3+])CCN[C@@H]1CCc2c1cccc2Br ZINC000925739990 638591614 /nfs/dbraw/zinc/59/16/14/638591614.db2.gz FUDXYGFXRXYGLR-CYBMUJFWSA-N 1 3 297.240 3.153 20 0 CGADHO CC(C)([NH3+])CCN[C@H]1CCc2c1cccc2Cl ZINC000925741238 638592949 /nfs/dbraw/zinc/59/29/49/638592949.db2.gz NSEDJIPMLVFMPB-ZDUSSCGKSA-N 1 3 252.789 3.044 20 0 CGADHO CC[C@@H](NCCC(C)(C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000925741297 638593082 /nfs/dbraw/zinc/59/30/82/638593082.db2.gz POHLSXZGJZBRMB-CYBMUJFWSA-N 1 3 286.366 3.456 20 0 CGADHO CCC1([NH3+])CCN([C@H](C)CSC(C)(C)C)CC1 ZINC000925757965 638600042 /nfs/dbraw/zinc/60/00/42/638600042.db2.gz YAXPVNIMBYLZNE-GFCCVEGCSA-N 1 3 258.475 3.110 20 0 CGADHO CCC1([NH3+])CCN([C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000925759369 638601089 /nfs/dbraw/zinc/60/10/89/638601089.db2.gz NDFOLQAYNAVBQL-OAHLLOKOSA-N 1 3 298.434 3.137 20 0 CGADHO C1[C@@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000925766125 638602393 /nfs/dbraw/zinc/60/23/93/638602393.db2.gz PJHSDKRTGFITOQ-QXDIGNSFSA-N 1 3 276.468 3.323 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805471 638617601 /nfs/dbraw/zinc/61/76/01/638617601.db2.gz TZAKNGPZPKBFJW-DOTOQJQBSA-N 1 3 272.436 3.215 20 0 CGADHO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490593 638740836 /nfs/dbraw/zinc/74/08/36/638740836.db2.gz KCKVANQBDWEMLT-UONOGXRCSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc([O-])cc(F)c1 ZINC000926604200 638790748 /nfs/dbraw/zinc/79/07/48/638790748.db2.gz MQCWWXXYWGLJQQ-VCANKDNSSA-N 1 3 280.387 3.055 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000926755197 638807181 /nfs/dbraw/zinc/80/71/81/638807181.db2.gz VFBNKWVOXAUBNR-DZGCQCFKSA-N 1 3 252.446 3.133 20 0 CGADHO C[NH+](C)CC[C@H](N[C@H]1CC2CCC1CC2)c1cccnc1 ZINC000926901672 638823005 /nfs/dbraw/zinc/82/30/05/638823005.db2.gz SEACZANAKQVPJO-RLNQZENFSA-N 1 3 287.451 3.243 20 0 CGADHO CCC[C@H](O)CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000927025312 638833386 /nfs/dbraw/zinc/83/33/86/638833386.db2.gz HHKAQNINDJLXQQ-SZMVWBNQSA-N 1 3 296.499 3.170 20 0 CGADHO FC1(C2CC2)CC[NH+](CCCN2CCCCC2)CC1 ZINC000932627405 639368423 /nfs/dbraw/zinc/36/84/23/639368423.db2.gz SETXUDHHTUUVGQ-UHFFFAOYSA-N 1 3 268.420 3.077 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccccc2C(F)(F)F)C1 ZINC000093215961 640762149 /nfs/dbraw/zinc/76/21/49/640762149.db2.gz XKIPEHQDGBVGBA-NWDGAFQWSA-N 1 3 272.314 3.065 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCSc2ccc(F)cc21 ZINC000250032111 640809778 /nfs/dbraw/zinc/80/97/78/640809778.db2.gz RIHLYDMORNMRDF-GLQYFDAESA-N 1 3 294.439 3.470 20 0 CGADHO CN1CCC(N(c2cc3[nH]ccc3c[nH+]2)C2CCCC2)CC1 ZINC001158485086 805958899 /nfs/dbraw/zinc/95/88/99/805958899.db2.gz GDLJZZBZRVLPFD-UHFFFAOYSA-N 1 3 298.434 3.406 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNCCc2ccc(F)cc2)C1 ZINC001254328513 806381490 /nfs/dbraw/zinc/38/14/90/806381490.db2.gz MHCSYCKKQQPHOQ-HZPDHXFCSA-N 1 3 292.442 3.326 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254454642 806406761 /nfs/dbraw/zinc/40/67/61/806406761.db2.gz DXOLGDCYPBXOEN-RTBURBONSA-N 1 3 286.463 3.396 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509999 806429910 /nfs/dbraw/zinc/42/99/10/806429910.db2.gz LAPWZYKKMSRIGN-IRXDYDNUSA-N 1 3 276.399 3.351 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509999 806429916 /nfs/dbraw/zinc/42/99/16/806429916.db2.gz LAPWZYKKMSRIGN-IRXDYDNUSA-N 1 3 276.399 3.351 20 0 CGADHO COc1ccc(C2(N[C@H]3CCC[N@H+](C)CC3)CCC2)cc1 ZINC001254510973 806430676 /nfs/dbraw/zinc/43/06/76/806430676.db2.gz SLNSYFRBJHMTND-INIZCTEOSA-N 1 3 288.435 3.148 20 0 CGADHO COc1ccc(C2(N[C@H]3CCC[N@@H+](C)CC3)CCC2)cc1 ZINC001254510973 806430683 /nfs/dbraw/zinc/43/06/83/806430683.db2.gz SLNSYFRBJHMTND-INIZCTEOSA-N 1 3 288.435 3.148 20 0 CGADHO CN1CCC[C@@H]([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515578 806437010 /nfs/dbraw/zinc/43/70/10/806437010.db2.gz YRGPWCWCLRUICA-UKRRQHHQSA-N 1 3 294.826 3.238 20 0 CGADHO CC1(C)CC(N)CC(C)(C)[NH+]1C1Cc2ccccc2C1 ZINC001255013921 806526248 /nfs/dbraw/zinc/52/62/48/806526248.db2.gz PJSIYTCJGIVXTP-UHFFFAOYSA-N 1 3 272.436 3.134 20 0 CGADHO C[C@H]1CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135943 806552107 /nfs/dbraw/zinc/55/21/07/806552107.db2.gz GKGJOSUMMFZBKE-DZJNRPSUSA-N 1 3 270.420 3.276 20 0 CGADHO C[C@H]1CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135943 806552109 /nfs/dbraw/zinc/55/21/09/806552109.db2.gz GKGJOSUMMFZBKE-DZJNRPSUSA-N 1 3 270.420 3.276 20 0 CGADHO c1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)co1 ZINC001255385091 806630609 /nfs/dbraw/zinc/63/06/09/806630609.db2.gz DQJZGPDQILJJAG-SFHVURJKSA-N 1 3 284.403 3.424 20 0 CGADHO C[C@H](N)c1nccn1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255382901 806631251 /nfs/dbraw/zinc/63/12/51/806631251.db2.gz YKSHLDYDMYKTCM-RDJZCZTQSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@H](N)c1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255382901 806631255 /nfs/dbraw/zinc/63/12/55/806631255.db2.gz YKSHLDYDMYKTCM-RDJZCZTQSA-N 1 3 298.434 3.130 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083453920 798940125 /nfs/dbraw/zinc/94/01/25/798940125.db2.gz WNNUOAVQSVMWRN-NSHDSACASA-N 1 3 295.477 3.301 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000092899016 798960474 /nfs/dbraw/zinc/96/04/74/798960474.db2.gz QSADUEKWSCEQJD-GDBMZVCRSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@@H]1CC[C@@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092899016 798960477 /nfs/dbraw/zinc/96/04/77/798960477.db2.gz QSADUEKWSCEQJD-GDBMZVCRSA-N 1 3 250.430 3.125 20 0 CGADHO COc1cccc(CN(C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255680429 806704576 /nfs/dbraw/zinc/70/45/76/806704576.db2.gz TZHNECLXDBTIBE-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO COc1cccc(CN(C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255680429 806704582 /nfs/dbraw/zinc/70/45/82/806704582.db2.gz TZHNECLXDBTIBE-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000339084285 799280291 /nfs/dbraw/zinc/28/02/91/799280291.db2.gz JRRCYUXQHMIRIM-WCVJEAGWSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1ccc(SC[C@@H](C)N(C)C[C@@H](C)C[NH3+])cc1 ZINC001255755475 806738017 /nfs/dbraw/zinc/73/80/17/806738017.db2.gz LJDDZZHXIYHXES-UONOGXRCSA-N 1 3 266.454 3.002 20 0 CGADHO c1ccc(C2CCC(N3CC[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000385303719 799425161 /nfs/dbraw/zinc/42/51/61/799425161.db2.gz LFMITIXDPOWPGZ-JYSRZZCRSA-N 1 3 270.420 3.007 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)c2ccccc21 ZINC000423109552 799598299 /nfs/dbraw/zinc/59/82/99/799598299.db2.gz HQRLYRFPKWUGGZ-BMGDILEWSA-N 1 3 294.398 3.115 20 0 CGADHO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950645 799741177 /nfs/dbraw/zinc/74/11/77/799741177.db2.gz YWQASWCPPYKBCS-BXUZGUMPSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950645 799741180 /nfs/dbraw/zinc/74/11/80/799741180.db2.gz YWQASWCPPYKBCS-BXUZGUMPSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000687964930 799743831 /nfs/dbraw/zinc/74/38/31/799743831.db2.gz YQSWIJJXMDNHFZ-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000687964930 799743834 /nfs/dbraw/zinc/74/38/34/799743834.db2.gz YQSWIJJXMDNHFZ-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC001255942794 806790859 /nfs/dbraw/zinc/79/08/59/806790859.db2.gz BCXDFCYBPMDANT-MRXNPFEDSA-N 1 3 278.440 3.166 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1cccc(OC)c1 ZINC001255942457 806791540 /nfs/dbraw/zinc/79/15/40/806791540.db2.gz GZTQNUJLEDITIB-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO C([C@H]1CCCCN1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708762658 799994057 /nfs/dbraw/zinc/99/40/57/799994057.db2.gz AOCMWXOQTCOLDI-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@H]1CCCCN1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708762658 799994060 /nfs/dbraw/zinc/99/40/60/799994060.db2.gz AOCMWXOQTCOLDI-HZPDHXFCSA-N 1 3 250.430 3.031 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC12CCCCC2 ZINC001255950306 806794981 /nfs/dbraw/zinc/79/49/81/806794981.db2.gz HEEGLSWBSGLHSW-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CC12CCCCC2 ZINC001255950419 806795622 /nfs/dbraw/zinc/79/56/22/806795622.db2.gz HEEGLSWBSGLHSW-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255955450 806798657 /nfs/dbraw/zinc/79/86/57/806798657.db2.gz UGFWLVULODCDCG-HZPDHXFCSA-N 1 3 296.499 3.434 20 0 CGADHO C[NH+](C)C1CCC(NCc2nc(C(C)(C)C)cs2)CC1 ZINC000715553612 800138721 /nfs/dbraw/zinc/13/87/21/800138721.db2.gz SSBLNKLOBKNSOZ-UHFFFAOYSA-N 1 3 295.496 3.403 20 0 CGADHO C/C=C\CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716691634 800178287 /nfs/dbraw/zinc/17/82/87/800178287.db2.gz IRUTYWDVODMNPL-FHKGGZQNSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C\CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691634 800178291 /nfs/dbraw/zinc/17/82/91/800178291.db2.gz IRUTYWDVODMNPL-FHKGGZQNSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C\C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716691634 800178297 /nfs/dbraw/zinc/17/82/97/800178297.db2.gz IRUTYWDVODMNPL-FHKGGZQNSA-N 1 3 270.420 3.205 20 0 CGADHO CC(C)c1ccccc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164212182 806915992 /nfs/dbraw/zinc/91/59/92/806915992.db2.gz ZLRKLEQZCLLHER-UHFFFAOYSA-N 1 3 289.467 3.248 20 0 CGADHO CC[C@@H](C)C[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682770 806947240 /nfs/dbraw/zinc/94/72/40/806947240.db2.gz PUDQMMHMJGFIKA-XNIRIUNOSA-N 1 3 282.472 3.044 20 0 CGADHO COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001200820574 811748370 /nfs/dbraw/zinc/74/83/70/811748370.db2.gz IZLKULRHXHEDDV-KIUVSXKZSA-N 1 3 288.435 3.171 20 0 CGADHO CCOc1ccc2ccccc2c1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136270 812883295 /nfs/dbraw/zinc/88/32/95/812883295.db2.gz UADYJKOOTGPMSW-GOEBONIOSA-N 1 3 298.430 3.265 20 0 CGADHO CCc1cccc2c(C[NH+]3C[C@H]4CN(CC)C[C@@H]4C3)c[nH]c21 ZINC001138363600 803905490 /nfs/dbraw/zinc/90/54/90/803905490.db2.gz LNGFCMBNHIHAQY-IAGOWNOFSA-N 1 3 297.446 3.114 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+]C2CCC(C)CC2)CCN1 ZINC001246063769 804107213 /nfs/dbraw/zinc/10/72/13/804107213.db2.gz CVXULYMIJVHFNZ-SSHXOBKSSA-N 1 3 252.446 3.466 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCc2cccc(F)c2)CC[NH2+]1 ZINC001246074292 804111915 /nfs/dbraw/zinc/11/19/15/804111915.db2.gz NHSAAXIZPQEIEO-HZPDHXFCSA-N 1 3 278.415 3.125 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC001246080050 804117611 /nfs/dbraw/zinc/11/76/11/804117611.db2.gz HMAPRLDBOUEOST-CABCVRRESA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccccc2)CC[NH2+]1 ZINC001246092351 804123529 /nfs/dbraw/zinc/12/35/29/804123529.db2.gz AOCRLJHTVSILTM-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)CCN1 ZINC001246092351 804123535 /nfs/dbraw/zinc/12/35/35/804123535.db2.gz AOCRLJHTVSILTM-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N[C@@]1(C)CCC[NH2+]CC1 ZINC001246102852 804135978 /nfs/dbraw/zinc/13/59/78/804135978.db2.gz TXYZHGJQIKQRPY-BBRMVZONSA-N 1 3 296.455 3.428 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C[C@@H]1CC[C@@H](C)CN1 ZINC001246103220 804136726 /nfs/dbraw/zinc/13/67/26/804136726.db2.gz GNVCPYNDMJDXMP-UPJWGTAASA-N 1 3 298.833 3.388 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC001246110863 804142803 /nfs/dbraw/zinc/14/28/03/804142803.db2.gz MSBDRLUNDLIDMF-HRCADAONSA-N 1 3 292.492 3.453 20 0 CGADHO CC(C)=CCC[C@@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246115305 804146816 /nfs/dbraw/zinc/14/68/16/804146816.db2.gz RIUKJGPMCOEARF-HUUCEWRRSA-N 1 3 256.409 3.193 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@@H]1CCC[NH2+]C[C@H]1C ZINC001246118582 804151816 /nfs/dbraw/zinc/15/18/16/804151816.db2.gz SKIOGNPPFXXXGO-XJKCOSOUSA-N 1 3 296.455 3.284 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246136360 804160748 /nfs/dbraw/zinc/16/07/48/804160748.db2.gz WKDRQJVTSBIPRL-YMAMQOFZSA-N 1 3 264.457 3.323 20 0 CGADHO CCCCCC(CCCCC)[NH2+][C@H]1COCCC12CNC2 ZINC001246138440 804162533 /nfs/dbraw/zinc/16/25/33/804162533.db2.gz MIWIURJFMNVMDG-KRWDZBQOSA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC(CCCCC)N[C@H]1COCCC12C[NH2+]C2 ZINC001246138440 804162536 /nfs/dbraw/zinc/16/25/36/804162536.db2.gz MIWIURJFMNVMDG-KRWDZBQOSA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC1CCC(N[C@H]2COCCC23C[NH2+]C3)CC1 ZINC001246139733 804163383 /nfs/dbraw/zinc/16/33/83/804163383.db2.gz WFSMTYGRRWFXOG-JCYILVPMSA-N 1 3 294.483 3.094 20 0 CGADHO CCCCCC1CCC([NH2+][C@H]2COCCC23CNC3)CC1 ZINC001246139733 804163387 /nfs/dbraw/zinc/16/33/87/804163387.db2.gz WFSMTYGRRWFXOG-JCYILVPMSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246142988 804165014 /nfs/dbraw/zinc/16/50/14/804165014.db2.gz DVDXQNGRJOJBGY-ADGXKJENSA-N 1 3 299.245 3.122 20 0 CGADHO C1[C@@H]2CNC[C@H]1[C@H]2[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246148275 804168371 /nfs/dbraw/zinc/16/83/71/804168371.db2.gz LIOWLYCXNQEZRD-XUWVNRHRSA-N 1 3 262.441 3.077 20 0 CGADHO CCc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246156695 804172114 /nfs/dbraw/zinc/17/21/14/804172114.db2.gz BSVFOMPGZXSTKT-PIIMJCKOSA-N 1 3 272.436 3.054 20 0 CGADHO C[C@@H]1C[C@H](NCCc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246158903 804176046 /nfs/dbraw/zinc/17/60/46/804176046.db2.gz NIEQHBSWQJWKMC-ZYHUDNBSSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)CCN1 ZINC001246158903 804176048 /nfs/dbraw/zinc/17/60/48/804176048.db2.gz NIEQHBSWQJWKMC-ZYHUDNBSSA-N 1 3 287.234 3.266 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(C)s2)C[C@H](CC)[NH2+]1 ZINC001246168224 804182520 /nfs/dbraw/zinc/18/25/20/804182520.db2.gz IKBVSPGIKFNTED-FICVDOATSA-N 1 3 280.481 3.498 20 0 CGADHO C[C@@H]1CC([NH2+]C(C)(C)Cc2ccc(F)cc2)C[C@@H](C)N1 ZINC001246168389 804182959 /nfs/dbraw/zinc/18/29/59/804182959.db2.gz CWNFRGUSTBOKDY-CHWSQXEVSA-N 1 3 278.415 3.265 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)s1 ZINC001246168845 804184224 /nfs/dbraw/zinc/18/42/24/804184224.db2.gz LKGAWYTVYAUYRM-UKRRQHHQSA-N 1 3 280.481 3.355 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246208066 804206650 /nfs/dbraw/zinc/20/66/50/804206650.db2.gz AXNKHSFMPXGMQE-AWXUYEDYSA-N 1 3 298.474 3.401 20 0 CGADHO CC[C@@H]1C[C@H](N[C@H]2C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246214190 804211763 /nfs/dbraw/zinc/21/17/63/804211763.db2.gz YRZPISIYLUDILM-PNKHAZJDSA-N 1 3 272.436 3.441 20 0 CGADHO CCCCC(CCCC)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246224613 804219468 /nfs/dbraw/zinc/21/94/68/804219468.db2.gz XVAKCQWGQLKYSO-HIFRSBDPSA-N 1 3 258.425 3.273 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246229967 804223483 /nfs/dbraw/zinc/22/34/83/804223483.db2.gz NTAWDJMCMSPNGE-QXKUPLGCSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CCN1 ZINC001246239185 804232411 /nfs/dbraw/zinc/23/24/11/804232411.db2.gz HLMSBQVJBSDTMA-KBUPBQIOSA-N 1 3 252.446 3.321 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H](C)C2CCCC2)CCN1 ZINC001246242416 804233881 /nfs/dbraw/zinc/23/38/81/804233881.db2.gz IDIVIWKFAMDIPA-BMFZPTHFSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H](Cc1ccccc1Cl)NCC[C@H]1CCCC[NH2+]1 ZINC001246245186 804235001 /nfs/dbraw/zinc/23/50/01/804235001.db2.gz NOXYXMJSFUVNRD-UKRRQHHQSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)NCC[C@@H]1CCCC[NH2+]1 ZINC001246245188 804235033 /nfs/dbraw/zinc/23/50/33/804235033.db2.gz NOXYXMJSFUVNRD-ZFWWWQNUSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246255540 804240605 /nfs/dbraw/zinc/24/06/05/804240605.db2.gz BYXQZQKOSYEJHA-DOMZBBRYSA-N 1 3 266.816 3.003 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2coc3ccccc23)CC[NH2+]1 ZINC001246260478 804242193 /nfs/dbraw/zinc/24/21/93/804242193.db2.gz GRHARQANEARGKE-DOTOQJQBSA-N 1 3 286.419 3.342 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246266522 804245596 /nfs/dbraw/zinc/24/55/96/804245596.db2.gz GQJAIVAJCYMUET-TWMKSMIVSA-N 1 3 272.436 3.299 20 0 CGADHO [NH3+]C1(CN[C@@H]2Cc3cccc(Cl)c3C2)CCCCC1 ZINC001246279625 804255326 /nfs/dbraw/zinc/25/53/26/804255326.db2.gz NUFVUWDJHCQZSD-CYBMUJFWSA-N 1 3 278.827 3.058 20 0 CGADHO NC1(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CCCCC1 ZINC001246279625 804255332 /nfs/dbraw/zinc/25/53/32/804255332.db2.gz NUFVUWDJHCQZSD-CYBMUJFWSA-N 1 3 278.827 3.058 20 0 CGADHO C[C@@H](CCN)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246300828 804266119 /nfs/dbraw/zinc/26/61/19/804266119.db2.gz PFFYVDORJOUQIV-NXVRBGIVSA-N 1 3 272.436 3.140 20 0 CGADHO CCc1ccc(C[C@H](C)NC[C@H]([NH3+])CC(C)C)cc1 ZINC001246313481 804276154 /nfs/dbraw/zinc/27/61/54/804276154.db2.gz UAVNYWVQZVHXHR-WMLDXEAASA-N 1 3 262.441 3.143 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246335618 804289212 /nfs/dbraw/zinc/28/92/12/804289212.db2.gz LBBRCTJQFINSKQ-BOXKHOIUSA-N 1 3 264.457 3.464 20 0 CGADHO CC[C@@H](C)C1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246338082 804292669 /nfs/dbraw/zinc/29/26/69/804292669.db2.gz HPGVYNCAXUVELD-BKAAIYKLSA-N 1 3 252.446 3.321 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1F ZINC001246342263 804294783 /nfs/dbraw/zinc/29/47/83/804294783.db2.gz GVEYSNZAWZSAES-CLLJXQQHSA-N 1 3 298.833 3.449 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCNC(C)(C)C2)cc1 ZINC001246342422 804295144 /nfs/dbraw/zinc/29/51/44/804295144.db2.gz HYKXAGDQXLQPPQ-QGZVFWFLSA-N 1 3 274.452 3.473 20 0 CGADHO Cc1ccc(Cl)c(CCN[C@@H]2CC[NH2+]C(C)(C)C2)c1F ZINC001246345808 804296909 /nfs/dbraw/zinc/29/69/09/804296909.db2.gz XMSVBZRBEBNXAN-GFCCVEGCSA-N 1 3 298.833 3.450 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC1(C[NH3+])CCC1 ZINC001246354566 804302392 /nfs/dbraw/zinc/30/23/92/804302392.db2.gz GSEBZCNMJFGKIU-NSHDSACASA-N 1 3 286.341 3.107 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+]C(C)(C)CCN ZINC001246363142 804305096 /nfs/dbraw/zinc/30/50/96/804305096.db2.gz PTDOGNIEXXOIPO-SNVBAGLBSA-N 1 3 272.795 3.127 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC(C)(C)CC[NH3+] ZINC001246363142 804305106 /nfs/dbraw/zinc/30/51/06/804305106.db2.gz PTDOGNIEXXOIPO-SNVBAGLBSA-N 1 3 272.795 3.127 20 0 CGADHO CC(C)CC1([NH2+]C2CCNCC2)CCC(F)(F)CC1 ZINC001246365808 804305317 /nfs/dbraw/zinc/30/53/17/804305317.db2.gz GTUGBOKFPOLFDY-UHFFFAOYSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@H]1CC[NH2+]CC1(C)C ZINC001246369978 804307072 /nfs/dbraw/zinc/30/70/72/804307072.db2.gz DQHCRPPWKALIAO-NHYWBVRUSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCNCC1(C)C ZINC001246369978 804307079 /nfs/dbraw/zinc/30/70/79/804307079.db2.gz DQHCRPPWKALIAO-NHYWBVRUSA-N 1 3 298.833 3.388 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC001246377193 804311760 /nfs/dbraw/zinc/31/17/60/804311760.db2.gz MSFDNAQZIULQCR-RDJZCZTQSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC(C)(C)C1)CC1CCC1 ZINC001246389883 804317328 /nfs/dbraw/zinc/31/73/28/804317328.db2.gz LOYUEWRQDBJVPU-CQSZACIVSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1cccc2c1CC[C@H]([NH2+]C1(CC3CC3)CCNCC1)C2 ZINC001246389528 804318340 /nfs/dbraw/zinc/31/83/40/804318340.db2.gz PAMRBGRLCOGRHG-SFHVURJKSA-N 1 3 298.474 3.364 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CCC2)CCN1 ZINC001246387520 804318837 /nfs/dbraw/zinc/31/88/37/804318837.db2.gz GJZNPLCHNZNJJA-ZBFHGGJFSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C[C@@H]1C ZINC001246396560 804320503 /nfs/dbraw/zinc/32/05/03/804320503.db2.gz ZYAWVVAMWAOTMV-IJEWVQPXSA-N 1 3 264.457 3.323 20 0 CGADHO Fc1ccc([C@H](CC2CC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC001246405139 804322665 /nfs/dbraw/zinc/32/26/65/804322665.db2.gz LDXJXDIQTNZPRB-IRXDYDNUSA-N 1 3 276.399 3.399 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246422170 804327249 /nfs/dbraw/zinc/32/72/49/804327249.db2.gz ROHNSBVVTBJUCR-UKRRQHHQSA-N 1 3 298.833 3.388 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]C1(CC)CCNCC1 ZINC001246425761 804329548 /nfs/dbraw/zinc/32/95/48/804329548.db2.gz YTMSYLFIGFCTPK-MRXNPFEDSA-N 1 3 260.425 3.130 20 0 CGADHO Fc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246436545 804332171 /nfs/dbraw/zinc/33/21/71/804332171.db2.gz WZNHXKLRUXKULK-XYPWUTKMSA-N 1 3 288.410 3.164 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](CC)Cc2ccccc2)CCN1 ZINC001246456644 804337380 /nfs/dbraw/zinc/33/73/80/804337380.db2.gz NPIGDDSKLQEREI-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO CC[C@@]1(CN[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC[NH2+]1 ZINC001246455303 804337413 /nfs/dbraw/zinc/33/74/13/804337413.db2.gz IWRTXCAYIIOANS-FMKPAKJESA-N 1 3 252.446 3.323 20 0 CGADHO c1ccc(CC2([NH2+]C3CCCCC3)CCNCC2)cc1 ZINC001246457344 804338994 /nfs/dbraw/zinc/33/89/94/804338994.db2.gz JMAFDBQGQDIICZ-UHFFFAOYSA-N 1 3 272.436 3.274 20 0 CGADHO CC[C@@]1(CNC2CCC(C(C)C)CC2)CCC[NH2+]1 ZINC001246458523 804340181 /nfs/dbraw/zinc/34/01/81/804340181.db2.gz YHDDQMUOCXIUPU-GPANFISMSA-N 1 3 252.446 3.323 20 0 CGADHO CN[C@H]1C[C@H]([NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC001246462414 804344545 /nfs/dbraw/zinc/34/45/45/804344545.db2.gz RLUAMAQLVIOOIT-SHTZXODSSA-N 1 3 250.430 3.220 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246467189 804346059 /nfs/dbraw/zinc/34/60/59/804346059.db2.gz SKNQOJKVUIMFDB-FJIDUMEYSA-N 1 3 284.447 3.369 20 0 CGADHO CCCC[C@H](CCC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246495702 804361458 /nfs/dbraw/zinc/36/14/58/804361458.db2.gz QFLWBMYDZMCBBV-KRWDZBQOSA-N 1 3 291.483 3.387 20 0 CGADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)CSc1ccc(F)cc1 ZINC001246502804 804364102 /nfs/dbraw/zinc/36/41/02/804364102.db2.gz GCIIZVVPIJAUCK-OCCSQVGLSA-N 1 3 284.444 3.269 20 0 CGADHO CC[C@@H](N[C@H](C)CSc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC001246513368 804367840 /nfs/dbraw/zinc/36/78/40/804367840.db2.gz DLWHYZODVONJMR-IAQYHMDHSA-N 1 3 298.883 3.408 20 0 CGADHO CCCCCC[C@H](C)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246515089 804369512 /nfs/dbraw/zinc/36/95/12/804369512.db2.gz JLDNUGKYZJLQBS-BBRMVZONSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C(C)C)C2CNC2)cc1 ZINC001246519562 804372972 /nfs/dbraw/zinc/37/29/72/804372972.db2.gz SHJRJPHAQUTYKK-QAPCUYQASA-N 1 3 274.452 3.150 20 0 CGADHO CCC[N@H+](CC1CC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246534830 804382632 /nfs/dbraw/zinc/38/26/32/804382632.db2.gz ZLTXACNKZIPIGD-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[N@@H+](CC1CC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246534830 804382641 /nfs/dbraw/zinc/38/26/41/804382641.db2.gz ZLTXACNKZIPIGD-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246531309 804383002 /nfs/dbraw/zinc/38/30/02/804383002.db2.gz DLAGXHHSEAILOA-DLBZAZTESA-N 1 3 272.436 3.211 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246544833 804392973 /nfs/dbraw/zinc/39/29/73/804392973.db2.gz ZQTPABDRBWZMDW-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246544833 804392977 /nfs/dbraw/zinc/39/29/77/804392977.db2.gz ZQTPABDRBWZMDW-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@@H]1CC(N2CCc3ccccc3[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC001246546626 804395448 /nfs/dbraw/zinc/39/54/48/804395448.db2.gz LDQNZIMOALCSEC-MCIONIFRSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CC(N2CCc3ccccc3[C@H]2C)C[C@@H](C)[NH2+]1 ZINC001246546627 804396968 /nfs/dbraw/zinc/39/69/68/804396968.db2.gz LDQNZIMOALCSEC-MGPQQGTHSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570682 804417510 /nfs/dbraw/zinc/41/75/10/804417510.db2.gz SGOCRKZYYGFYGJ-YUELXQCFSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570682 804417516 /nfs/dbraw/zinc/41/75/16/804417516.db2.gz SGOCRKZYYGFYGJ-YUELXQCFSA-N 1 3 292.854 3.257 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)CC2)C[C@H](CC)N1 ZINC001246584425 804428405 /nfs/dbraw/zinc/42/84/05/804428405.db2.gz AMHHWUKPUXPYBD-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)CC2)C[C@H](CC)N1 ZINC001246584425 804428410 /nfs/dbraw/zinc/42/84/10/804428410.db2.gz AMHHWUKPUXPYBD-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CCCNCC1 ZINC001246593359 804434708 /nfs/dbraw/zinc/43/47/08/804434708.db2.gz MLIWREJFNAXJOE-YHUYYLMFSA-N 1 3 264.457 3.274 20 0 CGADHO CC(C)[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@H]1CCCNCC1 ZINC001246593359 804434714 /nfs/dbraw/zinc/43/47/14/804434714.db2.gz MLIWREJFNAXJOE-YHUYYLMFSA-N 1 3 264.457 3.274 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246593864 804435294 /nfs/dbraw/zinc/43/52/94/804435294.db2.gz TWTVAPGPVAXFJJ-UMVBOHGHSA-N 1 3 292.854 3.257 20 0 CGADHO CC[C@@H](CC(C)C)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615835 804450030 /nfs/dbraw/zinc/45/00/30/804450030.db2.gz SVSOUWSDOQBTAT-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@@]2(CCCCN2)C1 ZINC001246615835 804450032 /nfs/dbraw/zinc/45/00/32/804450032.db2.gz SVSOUWSDOQBTAT-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](CC(C)C)[N@H+]1CCC[C@@]2(CCCCN2)C1 ZINC001246615835 804450033 /nfs/dbraw/zinc/45/00/33/804450033.db2.gz SVSOUWSDOQBTAT-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001246624957 804456574 /nfs/dbraw/zinc/45/65/74/804456574.db2.gz QDBNUCYPHAVFQO-SLTXQBBLSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2CC[C@H]3CNCC[C@H]32)CC1 ZINC001246624957 804456576 /nfs/dbraw/zinc/45/65/76/804456576.db2.gz QDBNUCYPHAVFQO-SLTXQBBLSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643915 804470346 /nfs/dbraw/zinc/47/03/46/804470346.db2.gz HXIAQFAIFJTRPQ-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643915 804470350 /nfs/dbraw/zinc/47/03/50/804470350.db2.gz HXIAQFAIFJTRPQ-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246644234 804472410 /nfs/dbraw/zinc/47/24/10/804472410.db2.gz XSQXSLLLHDLKGR-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC12CCNCC2 ZINC001246644234 804472414 /nfs/dbraw/zinc/47/24/14/804472414.db2.gz XSQXSLLLHDLKGR-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO [NH3+]CC12CC(C1)CN2C1CCC2(CCc3ccccc32)CC1 ZINC001246647630 804475279 /nfs/dbraw/zinc/47/52/79/804475279.db2.gz UIZAMLHZPLSBSE-UHFFFAOYSA-N 1 3 296.458 3.236 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC001140639720 804480937 /nfs/dbraw/zinc/48/09/37/804480937.db2.gz NRPAUZARIXPXIH-KBPBESRZSA-N 1 3 286.444 3.285 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246656640 804482149 /nfs/dbraw/zinc/48/21/49/804482149.db2.gz KOSLTCLIQVUQFZ-APAOZMKASA-N 1 3 299.245 3.203 20 0 CGADHO CCC(C)(C)C1CCC([N@@H+]2C[C@H]3CCNC[C@H]32)CC1 ZINC001246660933 804483324 /nfs/dbraw/zinc/48/33/24/804483324.db2.gz CNYAFGPFUHYQLK-PRLABOORSA-N 1 3 264.457 3.275 20 0 CGADHO CCC(C)(C)C1CCC([N@H+]2C[C@H]3CCNC[C@H]32)CC1 ZINC001246660933 804483326 /nfs/dbraw/zinc/48/33/26/804483326.db2.gz CNYAFGPFUHYQLK-PRLABOORSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)C1 ZINC001246673923 804489654 /nfs/dbraw/zinc/48/96/54/804489654.db2.gz QPCFUFCIZHITIB-GTAWCEEGSA-N 1 3 298.474 3.428 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)C1 ZINC001246673923 804489656 /nfs/dbraw/zinc/48/96/56/804489656.db2.gz QPCFUFCIZHITIB-GTAWCEEGSA-N 1 3 298.474 3.428 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246675662 804490495 /nfs/dbraw/zinc/49/04/95/804490495.db2.gz QOWNTMSTFYYKJV-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246675662 804490499 /nfs/dbraw/zinc/49/04/99/804490499.db2.gz QOWNTMSTFYYKJV-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO C[N@H+](CCCN)C1CCC2(CCc3ccccc32)CC1 ZINC001246683064 804496061 /nfs/dbraw/zinc/49/60/61/804496061.db2.gz YHRIWZIVUYTBJN-UHFFFAOYSA-N 1 3 272.436 3.094 20 0 CGADHO C[N@@H+](CCCN)C1CCC2(CCc3ccccc32)CC1 ZINC001246683064 804496064 /nfs/dbraw/zinc/49/60/64/804496064.db2.gz YHRIWZIVUYTBJN-UHFFFAOYSA-N 1 3 272.436 3.094 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246685672 804496470 /nfs/dbraw/zinc/49/64/70/804496470.db2.gz ARVDUXZRRCEMLR-MWDXBVQZSA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246685672 804496474 /nfs/dbraw/zinc/49/64/74/804496474.db2.gz ARVDUXZRRCEMLR-MWDXBVQZSA-N 1 3 284.463 3.471 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246692056 804499507 /nfs/dbraw/zinc/49/95/07/804499507.db2.gz SXYHELHWAMTZBF-RHSMWYFYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246692056 804499511 /nfs/dbraw/zinc/49/95/11/804499511.db2.gz SXYHELHWAMTZBF-RHSMWYFYSA-N 1 3 258.409 3.007 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246781092 804508225 /nfs/dbraw/zinc/50/82/25/804508225.db2.gz FMZXLVXLNIPTQX-OALUTQOASA-N 1 3 286.463 3.398 20 0 CGADHO CC(C)[N@H+](CC1CC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246787899 804511016 /nfs/dbraw/zinc/51/10/16/804511016.db2.gz FNIRZAKUCQBOEP-LSDHHAIUSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+](CC1CC1)[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246787899 804511020 /nfs/dbraw/zinc/51/10/20/804511020.db2.gz FNIRZAKUCQBOEP-LSDHHAIUSA-N 1 3 252.446 3.274 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2CCOC)CCN1 ZINC001246785594 804511998 /nfs/dbraw/zinc/51/19/98/804511998.db2.gz KRMPAVFJQAPHBZ-IKGGRYGDSA-N 1 3 282.472 3.188 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2CCOC)CCN1 ZINC001246785594 804512002 /nfs/dbraw/zinc/51/20/02/804512002.db2.gz KRMPAVFJQAPHBZ-IKGGRYGDSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@H+](CC(C)(C)C)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246795007 804517156 /nfs/dbraw/zinc/51/71/56/804517156.db2.gz HYJAQJDHYSHDKZ-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[N@@H+](CC(C)(C)C)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246795007 804517161 /nfs/dbraw/zinc/51/71/61/804517161.db2.gz HYJAQJDHYSHDKZ-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(Cc3ccccc3F)CC2)CCN1 ZINC001246824977 804536511 /nfs/dbraw/zinc/53/65/11/804536511.db2.gz RIUMUSIPYFLFNR-WMLDXEAASA-N 1 3 290.426 3.221 20 0 CGADHO C[C@H]1C[C@H](N2CCC(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246824977 804536516 /nfs/dbraw/zinc/53/65/16/804536516.db2.gz RIUMUSIPYFLFNR-WMLDXEAASA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCNC3(CCCCC3)C2)C1 ZINC001246842810 804551411 /nfs/dbraw/zinc/55/14/11/804551411.db2.gz VPAUVIFKBKEIOS-OWCLPIDISA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCNC3(CCCCC3)C2)C1 ZINC001246842810 804551420 /nfs/dbraw/zinc/55/14/20/804551420.db2.gz VPAUVIFKBKEIOS-OWCLPIDISA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844825 804554306 /nfs/dbraw/zinc/55/43/06/804554306.db2.gz CXFDQMVHSXRVLU-GOEBONIOSA-N 1 3 276.399 3.146 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CCN1 ZINC001246844825 804554310 /nfs/dbraw/zinc/55/43/10/804554310.db2.gz CXFDQMVHSXRVLU-GOEBONIOSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC001246847708 804558940 /nfs/dbraw/zinc/55/89/40/804558940.db2.gz LUYXEEMPUDIGMW-CWRNSKLLSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC001246847708 804558944 /nfs/dbraw/zinc/55/89/44/804558944.db2.gz LUYXEEMPUDIGMW-CWRNSKLLSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867335 804570191 /nfs/dbraw/zinc/57/01/91/804570191.db2.gz OCWGFGQPBYROIS-FHWLQOOXSA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867335 804570196 /nfs/dbraw/zinc/57/01/96/804570196.db2.gz OCWGFGQPBYROIS-FHWLQOOXSA-N 1 3 286.463 3.472 20 0 CGADHO c1cn(C2CC[NH+](C3CCNCC3)CC2)c2ccccc12 ZINC001246867816 804572235 /nfs/dbraw/zinc/57/22/35/804572235.db2.gz KJMOMUPNXIHYKP-UHFFFAOYSA-N 1 3 283.419 3.030 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246875300 804574919 /nfs/dbraw/zinc/57/49/19/804574919.db2.gz ZZMOZGIKHNQCBS-PBHICJAKSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246875300 804574922 /nfs/dbraw/zinc/57/49/22/804574922.db2.gz ZZMOZGIKHNQCBS-PBHICJAKSA-N 1 3 270.420 3.108 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246875300 804574928 /nfs/dbraw/zinc/57/49/28/804574928.db2.gz ZZMOZGIKHNQCBS-PBHICJAKSA-N 1 3 270.420 3.108 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(Cc2cccc(F)c2)CC1 ZINC001246881832 804577683 /nfs/dbraw/zinc/57/76/83/804577683.db2.gz KADUENINRKWGLL-CQSZACIVSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H]1CC([N@H+](C)C(C)(C)Cc2ccccc2)C[C@H](C)N1 ZINC001246890970 804583468 /nfs/dbraw/zinc/58/34/68/804583468.db2.gz IGHNQBMCSZRZQL-GJZGRUSLSA-N 1 3 274.452 3.469 20 0 CGADHO C[C@H]1CC([N@@H+](C)C(C)(C)Cc2ccccc2)C[C@H](C)N1 ZINC001246890970 804583471 /nfs/dbraw/zinc/58/34/71/804583471.db2.gz IGHNQBMCSZRZQL-GJZGRUSLSA-N 1 3 274.452 3.469 20 0 CGADHO C[C@@H]1C[C@H]([N@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895894 804585187 /nfs/dbraw/zinc/58/51/87/804585187.db2.gz YNXCIEGKZCWDFC-GDBMZVCRSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+](C)C(C)(C)Cc2ccccc2)CCN1 ZINC001246895894 804585189 /nfs/dbraw/zinc/58/51/89/804585189.db2.gz YNXCIEGKZCWDFC-GDBMZVCRSA-N 1 3 260.425 3.080 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([NH+]3CCCNCCC3)C2)cc1 ZINC001246904742 804590546 /nfs/dbraw/zinc/59/05/46/804590546.db2.gz HZZMRSKKAMVTFM-ROUUACIJSA-N 1 3 272.436 3.398 20 0 CGADHO CC[N@H+](CCc1ccc(OC)cc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246919528 804600985 /nfs/dbraw/zinc/60/09/85/804600985.db2.gz BGVWBSVDURZIQX-GJZGRUSLSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+](CCc1ccc(OC)cc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246919528 804600986 /nfs/dbraw/zinc/60/09/86/804600986.db2.gz BGVWBSVDURZIQX-GJZGRUSLSA-N 1 3 290.451 3.089 20 0 CGADHO CCN(CCc1ccc(OC)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246919528 804600988 /nfs/dbraw/zinc/60/09/88/804600988.db2.gz BGVWBSVDURZIQX-GJZGRUSLSA-N 1 3 290.451 3.089 20 0 CGADHO CC[C@@H]1C[C@H](N(CC)CCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246922353 804601910 /nfs/dbraw/zinc/60/19/10/804601910.db2.gz KQSIISXEOPRTBI-IAGOWNOFSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922353 804601915 /nfs/dbraw/zinc/60/19/15/804601915.db2.gz KQSIISXEOPRTBI-IAGOWNOFSA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](CC)CCc2ccc(OC)cc2)CCN1 ZINC001246922353 804601920 /nfs/dbraw/zinc/60/19/20/804601920.db2.gz KQSIISXEOPRTBI-IAGOWNOFSA-N 1 3 290.451 3.090 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@H](C(F)(F)F)C2)CC(C)(C)C1 ZINC001246933910 804607042 /nfs/dbraw/zinc/60/70/42/804607042.db2.gz JTVSRZJSJAWZDE-XQHKEYJVSA-N 1 3 292.389 3.413 20 0 CGADHO C[C@@H]1CC[C@@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246937883 804608403 /nfs/dbraw/zinc/60/84/03/804608403.db2.gz NIILJJDFPUMWQQ-HLLBOEOZSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246937883 804608404 /nfs/dbraw/zinc/60/84/04/804608404.db2.gz NIILJJDFPUMWQQ-HLLBOEOZSA-N 1 3 264.457 3.419 20 0 CGADHO c1ccc2c(c1)CC([N@H+](C[C@H]1CCCNC1)C1CCCC1)C2 ZINC001246936692 804609267 /nfs/dbraw/zinc/60/92/67/804609267.db2.gz XWRKDFXYWGZCGI-INIZCTEOSA-N 1 3 298.474 3.398 20 0 CGADHO c1ccc2c(c1)CC([N@@H+](C[C@H]1CCCNC1)C1CCCC1)C2 ZINC001246936692 804609270 /nfs/dbraw/zinc/60/92/70/804609270.db2.gz XWRKDFXYWGZCGI-INIZCTEOSA-N 1 3 298.474 3.398 20 0 CGADHO C([C@@H]1CCCNC1)[NH+](C1CCCC1)C1CCCC1 ZINC001246938976 804610075 /nfs/dbraw/zinc/61/00/75/804610075.db2.gz QVVLBHXCONGYES-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)N1C[C@@H]([NH3+])C[C@H]1C ZINC001246999690 804634750 /nfs/dbraw/zinc/63/47/50/804634750.db2.gz SRWVDJUDALNWLL-MCIONIFRSA-N 1 3 296.480 3.492 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002875 804635516 /nfs/dbraw/zinc/63/55/16/804635516.db2.gz LZAKHDNJKNIEOI-FPCVCCKLSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002875 804635520 /nfs/dbraw/zinc/63/55/20/804635520.db2.gz LZAKHDNJKNIEOI-FPCVCCKLSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247017094 804644666 /nfs/dbraw/zinc/64/46/66/804644666.db2.gz ZMHVCNKCSKATNR-UNEWFSDZSA-N 1 3 292.854 3.345 20 0 CGADHO CCCC[C@H](CC)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257427282 807151365 /nfs/dbraw/zinc/15/13/65/807151365.db2.gz ZHAXJMHEWBOBKM-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CCCC[C@H](CC)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257427282 807151368 /nfs/dbraw/zinc/15/13/68/807151368.db2.gz ZHAXJMHEWBOBKM-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[NH2+]C1CCC(OC(C)C)CC1 ZINC001257869959 807231703 /nfs/dbraw/zinc/23/17/03/807231703.db2.gz WBLBVEIRSXMCLU-UHFFFAOYSA-N 1 3 270.461 3.044 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2occc2C1 ZINC001167839502 807260424 /nfs/dbraw/zinc/26/04/24/807260424.db2.gz YLXKXIQAGGOYQW-CQSZACIVSA-N 1 3 264.413 3.148 20 0 CGADHO CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167969084 807289001 /nfs/dbraw/zinc/28/90/01/807289001.db2.gz ZWOCUWMYOYYBTB-OHRKKDJYSA-N 1 3 250.430 3.170 20 0 CGADHO C[NH+](C)C1CCC(N2CCC[C@H]2c2nccs2)CC1 ZINC001168327368 807384495 /nfs/dbraw/zinc/38/44/95/807384495.db2.gz KWQRMMNAUQIRPR-RUXDESIVSA-N 1 3 279.453 3.153 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168351290 807390237 /nfs/dbraw/zinc/39/02/37/807390237.db2.gz PMGDTWKCMVSCGU-CYBMUJFWSA-N 1 3 298.434 3.103 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258389690 807436843 /nfs/dbraw/zinc/43/68/43/807436843.db2.gz VHHOSEBILAMYCE-HNNXBMFYSA-N 1 3 278.440 3.077 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258389690 807436851 /nfs/dbraw/zinc/43/68/51/807436851.db2.gz VHHOSEBILAMYCE-HNNXBMFYSA-N 1 3 278.440 3.077 20 0 CGADHO CCCCC[C@@H](CC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258443323 807453122 /nfs/dbraw/zinc/45/31/22/807453122.db2.gz LCHVSNLEBMZLIV-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO Cc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169081288 807570104 /nfs/dbraw/zinc/57/01/04/807570104.db2.gz PUSWMLUQFRNZNW-LVQVYYBASA-N 1 3 286.419 3.033 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001169095340 807574405 /nfs/dbraw/zinc/57/44/05/807574405.db2.gz PTSZIVGZDVYCTM-OSYLJGHBSA-N 1 3 258.409 3.018 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CC2(C1)CC[NH+](C)CC2 ZINC001258751946 807594403 /nfs/dbraw/zinc/59/44/03/807594403.db2.gz XZUOLBFYMFNUNX-AWEZNQCLSA-N 1 3 292.854 3.299 20 0 CGADHO CCC[NH+]1CCC(N2Cc3ccccc3C[C@@H]2C)CC1 ZINC001258775847 807606806 /nfs/dbraw/zinc/60/68/06/807606806.db2.gz HCXDRHIRKCJIRB-HNNXBMFYSA-N 1 3 272.436 3.308 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258798804 807620575 /nfs/dbraw/zinc/62/05/75/807620575.db2.gz YWUIXFVJMXPIGK-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C(C)=O)c1ccccc1 ZINC001258899429 807668990 /nfs/dbraw/zinc/66/89/90/807668990.db2.gz LJBVCVAVSWGYMN-QAPCUYQASA-N 1 3 290.451 3.417 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001170111773 807760970 /nfs/dbraw/zinc/76/09/70/807760970.db2.gz DRZNPIQIPADXSZ-RHSMWYFYSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001170118250 807764984 /nfs/dbraw/zinc/76/49/84/807764984.db2.gz QTFYHPCQSUBFBV-YJBOKZPZSA-N 1 3 287.451 3.072 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170157685 807780268 /nfs/dbraw/zinc/78/02/68/807780268.db2.gz LLFIYLXTKHRECX-CABCVRRESA-N 1 3 250.430 3.125 20 0 CGADHO Clc1cccc2c1CC[C@@H]([NH2+]CCCN1CCCC1)C2 ZINC001171014513 807960662 /nfs/dbraw/zinc/96/06/62/807960662.db2.gz ZEQHUFHXJADTOR-OAHLLOKOSA-N 1 3 292.854 3.273 20 0 CGADHO CN(CCC[NH+]1CCCC1)[C@H]1CCc2c(F)cccc2C1 ZINC001171434270 808054436 /nfs/dbraw/zinc/05/44/36/808054436.db2.gz SKTHKCSXNHMOEA-INIZCTEOSA-N 1 3 290.426 3.101 20 0 CGADHO CCCc1cc(CN)nn1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625208 808106810 /nfs/dbraw/zinc/10/68/10/808106810.db2.gz DXAUOABOVMOFFI-UHFFFAOYSA-N 1 3 292.471 3.118 20 0 CGADHO C[C@H]1C[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@]1(C)O ZINC001171631754 808108903 /nfs/dbraw/zinc/10/89/03/808108903.db2.gz NIIGDAKBDWISKR-KSSFIOAISA-N 1 3 296.499 3.121 20 0 CGADHO C[C@H]1C[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CCC[C@]1(C)O ZINC001171631754 808108904 /nfs/dbraw/zinc/10/89/04/808108904.db2.gz NIIGDAKBDWISKR-KSSFIOAISA-N 1 3 296.499 3.121 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1(C)C ZINC001171639931 808110595 /nfs/dbraw/zinc/11/05/95/808110595.db2.gz VOWKFJVVMAQFJQ-OAHLLOKOSA-N 1 3 286.410 3.369 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1(C)C ZINC001171639931 808110598 /nfs/dbraw/zinc/11/05/98/808110598.db2.gz VOWKFJVVMAQFJQ-OAHLLOKOSA-N 1 3 286.410 3.369 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098676 808169673 /nfs/dbraw/zinc/16/96/73/808169673.db2.gz GMOQZPJBHOAGRT-XQLPTFJDSA-N 1 3 298.434 3.244 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098676 808169679 /nfs/dbraw/zinc/16/96/79/808169679.db2.gz GMOQZPJBHOAGRT-XQLPTFJDSA-N 1 3 298.434 3.244 20 0 CGADHO C1=CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075649 808170179 /nfs/dbraw/zinc/17/01/79/808170179.db2.gz CXLNRNKGLUCRRX-REPLKXPHSA-N 1 3 282.431 3.444 20 0 CGADHO C1=CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075649 808170183 /nfs/dbraw/zinc/17/01/83/808170183.db2.gz CXLNRNKGLUCRRX-REPLKXPHSA-N 1 3 282.431 3.444 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC001172098547 808170276 /nfs/dbraw/zinc/17/02/76/808170276.db2.gz AMTHNJPBLGKLDZ-MUJYYYPQSA-N 1 3 280.362 3.070 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc3c(c1)CCC3)C2 ZINC001172099594 808171481 /nfs/dbraw/zinc/17/14/81/808171481.db2.gz LJCQFMBYNASDSQ-LDLYASANSA-N 1 3 284.447 3.280 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc3c(c1)CCC3)C2 ZINC001172099594 808171486 /nfs/dbraw/zinc/17/14/86/808171486.db2.gz LJCQFMBYNASDSQ-LDLYASANSA-N 1 3 284.447 3.280 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1F ZINC001172100584 808171668 /nfs/dbraw/zinc/17/16/68/808171668.db2.gz FNAPKJKFRZZSDC-ZQDZILKHSA-N 1 3 276.399 3.492 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3sccc31)C2 ZINC001172110037 808178808 /nfs/dbraw/zinc/17/88/08/808178808.db2.gz ITTSOTVQVVBEAT-XFMPKHEZSA-N 1 3 276.449 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3sccc31)C2 ZINC001172110037 808178815 /nfs/dbraw/zinc/17/88/15/808178815.db2.gz ITTSOTVQVVBEAT-XFMPKHEZSA-N 1 3 276.449 3.340 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1ccco1)C1CC1)C2 ZINC001172127003 808186221 /nfs/dbraw/zinc/18/62/21/808186221.db2.gz FIHWGIUNGUARSY-ZSHCYNCHSA-N 1 3 274.408 3.259 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1ccco1)C1CC1)C2 ZINC001172127003 808186228 /nfs/dbraw/zinc/18/62/28/808186228.db2.gz FIHWGIUNGUARSY-ZSHCYNCHSA-N 1 3 274.408 3.259 20 0 CGADHO CC(C)OCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172441773 808316664 /nfs/dbraw/zinc/31/66/64/808316664.db2.gz PWIYGEGWZCLXRK-MRXNPFEDSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)COCC[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001172458446 808330006 /nfs/dbraw/zinc/33/00/06/808330006.db2.gz YYXNFXAZJLFOTQ-QGZVFWFLSA-N 1 3 284.488 3.149 20 0 CGADHO CO[C@@H]1CCC[C@H](N[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001172915333 808477862 /nfs/dbraw/zinc/47/78/62/808477862.db2.gz CHAWQTYCTJFULY-RCCFBDPRSA-N 1 3 290.451 3.227 20 0 CGADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173258872 808564638 /nfs/dbraw/zinc/56/46/38/808564638.db2.gz FIDWNMSNCSBIGD-IXDOHACOSA-N 1 3 266.473 3.475 20 0 CGADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173258872 808564643 /nfs/dbraw/zinc/56/46/43/808564643.db2.gz FIDWNMSNCSBIGD-IXDOHACOSA-N 1 3 266.473 3.475 20 0 CGADHO CC[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001173276839 808579680 /nfs/dbraw/zinc/57/96/80/808579680.db2.gz VYOCPAVFPRXFGG-QAPCUYQASA-N 1 3 294.483 3.046 20 0 CGADHO CCSC[C@@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001173294863 808595100 /nfs/dbraw/zinc/59/51/00/808595100.db2.gz IKMIUZVMPCJECA-CYBMUJFWSA-N 1 3 296.455 3.217 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)NC1(C[NH3+])CC1 ZINC001173548138 808646542 /nfs/dbraw/zinc/64/65/42/808646542.db2.gz YGIKUTDTSYXUHQ-SNVBAGLBSA-N 1 3 287.234 3.395 20 0 CGADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061128 808903614 /nfs/dbraw/zinc/90/36/14/808903614.db2.gz CQPYYZJDZBSCIG-YESZJQIVSA-N 1 3 289.467 3.205 20 0 CGADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275061128 808903620 /nfs/dbraw/zinc/90/36/20/808903620.db2.gz CQPYYZJDZBSCIG-YESZJQIVSA-N 1 3 289.467 3.205 20 0 CGADHO Cc1ccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)o1 ZINC001275239482 808922084 /nfs/dbraw/zinc/92/20/84/808922084.db2.gz BOZVVPVRZCLEFZ-UHFFFAOYSA-N 1 3 288.435 3.428 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4ccncc43)(C1)CCC2 ZINC001275315336 808927920 /nfs/dbraw/zinc/92/79/20/808927920.db2.gz SRECFEUKYAWTHV-RBUKOAKNSA-N 1 3 295.430 3.389 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C)c1C ZINC001276228523 808994324 /nfs/dbraw/zinc/99/43/24/808994324.db2.gz XXADTBVXZXXNOW-ALOPSCKCSA-N 1 3 258.409 3.018 20 0 CGADHO CN(C)[C@H]1CCOc2c(Nc3ccc(C[NH3+])cc3)cccc21 ZINC001175970475 809586332 /nfs/dbraw/zinc/58/63/32/809586332.db2.gz DAAAFEHMRDQCNZ-KRWDZBQOSA-N 1 3 297.402 3.274 20 0 CGADHO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)cc1 ZINC001179814980 809947244 /nfs/dbraw/zinc/94/72/44/809947244.db2.gz CCUUARBFFFVATJ-FGTMMUONSA-N 1 3 272.436 3.240 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001184418424 810198486 /nfs/dbraw/zinc/19/84/86/810198486.db2.gz OMALBJWKEXBAET-MAUKXSAKSA-N 1 3 274.452 3.254 20 0 CGADHO CCC1(CC)[C@H](OC)C[C@@H]1N(C)CCC[NH+]1CCCCC1 ZINC001191743207 810734923 /nfs/dbraw/zinc/73/49/23/810734923.db2.gz RBGBHLVZKJGOOW-DLBZAZTESA-N 1 3 296.499 3.388 20 0 CGADHO C(C[N@H+]1CCCC[C@@H]1CCN1CCCC1)C1CCOCC1 ZINC001202660534 812147360 /nfs/dbraw/zinc/14/73/60/812147360.db2.gz GTALIGSERWUJII-GOSISDBHSA-N 1 3 294.483 3.144 20 0 CGADHO C(C[N@@H+]1CCCC[C@@H]1CCN1CCCC1)C1CCOCC1 ZINC001202660534 812147364 /nfs/dbraw/zinc/14/73/64/812147364.db2.gz GTALIGSERWUJII-GOSISDBHSA-N 1 3 294.483 3.144 20 0 CGADHO c1ccc(-c2ccccc2C[N@@H+]2CCCNCC2)cc1 ZINC001204667967 812704051 /nfs/dbraw/zinc/70/40/51/812704051.db2.gz QLJBMCHWKKWBCS-UHFFFAOYSA-N 1 3 266.388 3.149 20 0 CGADHO c1ccc(-c2ccccc2C[N@H+]2CCCNCC2)cc1 ZINC001204667967 812704055 /nfs/dbraw/zinc/70/40/55/812704055.db2.gz QLJBMCHWKKWBCS-UHFFFAOYSA-N 1 3 266.388 3.149 20 0 CGADHO Cc1c(CN2CCCC3(CC[NH2+]CC3)C2)ccc(F)c1F ZINC001204742156 812723265 /nfs/dbraw/zinc/72/32/65/812723265.db2.gz IVPCLUOETHLYJO-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO CC(C)(O)CCCC1=CC[C@@H](CN2CC[C@@](C)([NH3+])C2)CC1 ZINC001204764379 812729525 /nfs/dbraw/zinc/72/95/25/812729525.db2.gz YFTIDNLKGHNJLM-SJLPKXTDSA-N 1 3 294.483 3.077 20 0 CGADHO Cc1cc(CN2CCC[C@H]([NH3+])CC2)cc(C)c1OC(C)C ZINC001205124754 812879251 /nfs/dbraw/zinc/87/92/51/812879251.db2.gz ZRSAAPNLDMZPQY-KRWDZBQOSA-N 1 3 290.451 3.404 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@H](C)[C@@H](CN)C2)C1(C)C ZINC001205297138 812937579 /nfs/dbraw/zinc/93/75/79/812937579.db2.gz ZWGQXLTZAQUGMF-CWRNSKLLSA-N 1 3 264.457 3.286 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@H](C)[C@@H](CN)C2)C1(C)C ZINC001205297138 812937583 /nfs/dbraw/zinc/93/75/83/812937583.db2.gz ZWGQXLTZAQUGMF-CWRNSKLLSA-N 1 3 264.457 3.286 20 0 CGADHO C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296333 812937598 /nfs/dbraw/zinc/93/75/98/812937598.db2.gz MOUUCOKCASQTGO-HIFRSBDPSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C[C@@H]1CN ZINC001205296333 812937603 /nfs/dbraw/zinc/93/76/03/812937603.db2.gz MOUUCOKCASQTGO-HIFRSBDPSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CCN(CCCc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC001205296333 812937606 /nfs/dbraw/zinc/93/76/06/812937606.db2.gz MOUUCOKCASQTGO-HIFRSBDPSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001205296616 812937783 /nfs/dbraw/zinc/93/77/83/812937783.db2.gz RQQHFQFYKRVRDF-INIZCTEOSA-N 1 3 275.371 3.010 20 0 CGADHO C[C@@H]1CCN(Cc2cccc3sccc32)C[C@H]1C[NH3+] ZINC001205318548 812950301 /nfs/dbraw/zinc/95/03/01/812950301.db2.gz VWLNGTJRPVJFQO-TZMCWYRMSA-N 1 3 274.433 3.318 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC001205391163 812976412 /nfs/dbraw/zinc/97/64/12/812976412.db2.gz JYPQERMZHISMRX-HOTGVXAUSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H]1CCN(Cc2ccc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC001205618500 813028542 /nfs/dbraw/zinc/02/85/42/813028542.db2.gz WQDTYBXMLYEDJL-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC001205627388 813031974 /nfs/dbraw/zinc/03/19/74/813031974.db2.gz OWQFOMMHHVEUEI-YPMHNXCESA-N 1 3 284.806 3.286 20 0 CGADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)cc1F ZINC001205639284 813038200 /nfs/dbraw/zinc/03/82/00/813038200.db2.gz YMRSZQRVFHCPEK-AAEUAGOBSA-N 1 3 282.378 3.080 20 0 CGADHO Cc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)nc1C ZINC001205654486 813044418 /nfs/dbraw/zinc/04/44/18/813044418.db2.gz WZZLPFSGEYTQGN-SMDDNHRTSA-N 1 3 295.858 3.159 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863206 813112816 /nfs/dbraw/zinc/11/28/16/813112816.db2.gz JIBJLVKADOHOOB-JMGFVUJMSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@@H]1N ZINC001205863206 813112821 /nfs/dbraw/zinc/11/28/21/813112821.db2.gz JIBJLVKADOHOOB-JMGFVUJMSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCCCCc1ccccc1 ZINC001205903065 813125012 /nfs/dbraw/zinc/12/50/12/813125012.db2.gz NLUAEZCBTRSHPB-AEFFLSMTSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903065 813125016 /nfs/dbraw/zinc/12/50/16/813125016.db2.gz NLUAEZCBTRSHPB-AEFFLSMTSA-N 1 3 274.452 3.459 20 0 CGADHO CCCOc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205904899 813127682 /nfs/dbraw/zinc/12/76/82/813127682.db2.gz YBVWWFFIKCIJKM-HOCLYGCPSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@H]1CN(Cc2coc(-c3ccccc3)n2)CCC[C@@H]1C[NH3+] ZINC001206012042 813165343 /nfs/dbraw/zinc/16/53/43/813165343.db2.gz IDTNVTVCTHKBON-GOEBONIOSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)C[C@@H]1C ZINC001206109548 813202173 /nfs/dbraw/zinc/20/21/73/813202173.db2.gz BJEPEELRKDCKLM-OLZOCXBDSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)C[C@@H]1C ZINC001206109548 813202179 /nfs/dbraw/zinc/20/21/79/813202179.db2.gz BJEPEELRKDCKLM-OLZOCXBDSA-N 1 3 278.465 3.262 20 0 CGADHO CCCCOc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206156694 813216643 /nfs/dbraw/zinc/21/66/43/813216643.db2.gz SCEBKBHKCQQZJP-IRXDYDNUSA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206156694 813216645 /nfs/dbraw/zinc/21/66/45/813216645.db2.gz SCEBKBHKCQQZJP-IRXDYDNUSA-N 1 3 294.414 3.127 20 0 CGADHO CC(C)Cc1ccc(CN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206183085 813230135 /nfs/dbraw/zinc/23/01/35/813230135.db2.gz FLOWDJGUAOYGPO-IRXDYDNUSA-N 1 3 278.415 3.146 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206188933 813233129 /nfs/dbraw/zinc/23/31/29/813233129.db2.gz WIVAJNKABCKDEF-CVEARBPZSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206188933 813233132 /nfs/dbraw/zinc/23/31/32/813233132.db2.gz WIVAJNKABCKDEF-CVEARBPZSA-N 1 3 294.414 3.043 20 0 CGADHO CC(C)[N@H+](CCC1CCCC1)[C@H]1CCCNCC1 ZINC001206582114 813362029 /nfs/dbraw/zinc/36/20/29/813362029.db2.gz MALWDRNYJJZXRL-INIZCTEOSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[N@@H+](CCC1CCCC1)[C@H]1CCCNCC1 ZINC001206582114 813362039 /nfs/dbraw/zinc/36/20/39/813362039.db2.gz MALWDRNYJJZXRL-INIZCTEOSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1csc(CN(C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206580978 813362404 /nfs/dbraw/zinc/36/24/04/813362404.db2.gz GSCGSMUYEXWUDS-AWEZNQCLSA-N 1 3 266.454 3.409 20 0 CGADHO CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@H](CN)C1 ZINC001206622924 813377007 /nfs/dbraw/zinc/37/70/07/813377007.db2.gz JCHQDQNRUDEMQQ-OAHLLOKOSA-N 1 3 285.435 3.222 20 0 CGADHO CCn1ccc2c1cccc2C[N@H+]1CCCC[C@H](CN)C1 ZINC001206622924 813377011 /nfs/dbraw/zinc/37/70/11/813377011.db2.gz JCHQDQNRUDEMQQ-OAHLLOKOSA-N 1 3 285.435 3.222 20 0 CGADHO CC(C)(C)Oc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206632892 813381016 /nfs/dbraw/zinc/38/10/16/813381016.db2.gz QHLKTTCFEYPTGX-INIZCTEOSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001206760303 813426153 /nfs/dbraw/zinc/42/61/53/813426153.db2.gz COLJUKLMVDBJCQ-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760303 813426160 /nfs/dbraw/zinc/42/61/60/813426160.db2.gz COLJUKLMVDBJCQ-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@H](C[NH3+])CN1CCCc1cccc(Cl)c1 ZINC001206760303 813426164 /nfs/dbraw/zinc/42/61/64/813426164.db2.gz COLJUKLMVDBJCQ-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@@H](CN)CC[C@@H]2C)C1(C)C ZINC001206760729 813426623 /nfs/dbraw/zinc/42/66/23/813426623.db2.gz KURIEGGGKLXBKW-ARFHVFGLSA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@@H](CN)CC[C@@H]2C)C1(C)C ZINC001206760729 813426626 /nfs/dbraw/zinc/42/66/26/813426626.db2.gz KURIEGGGKLXBKW-ARFHVFGLSA-N 1 3 264.457 3.428 20 0 CGADHO Cc1ccccc1O[C@H]1CC[N@@H+](CC(C)(C)CN(C)C)C1 ZINC001207283208 813534820 /nfs/dbraw/zinc/53/48/20/813534820.db2.gz VRXKKBLFRFZUNU-INIZCTEOSA-N 1 3 290.451 3.036 20 0 CGADHO Cc1ccccc1O[C@H]1CC[N@H+](CC(C)(C)CN(C)C)C1 ZINC001207283208 813534829 /nfs/dbraw/zinc/53/48/29/813534829.db2.gz VRXKKBLFRFZUNU-INIZCTEOSA-N 1 3 290.451 3.036 20 0 CGADHO COc1ccc2c(c1)C[N@@H+](CC(C)(C)CN(C)C)CCC2 ZINC001207284986 813535472 /nfs/dbraw/zinc/53/54/72/813535472.db2.gz WZSWOPOJSDKNBU-UHFFFAOYSA-N 1 3 290.451 3.031 20 0 CGADHO COc1ccc2c(c1)C[N@H+](CC(C)(C)CN(C)C)CCC2 ZINC001207284986 813535476 /nfs/dbraw/zinc/53/54/76/813535476.db2.gz WZSWOPOJSDKNBU-UHFFFAOYSA-N 1 3 290.451 3.031 20 0 CGADHO C[NH+]1CCC(CCN2CCc3ccc(Cl)cc3C2)CC1 ZINC001207479425 813572751 /nfs/dbraw/zinc/57/27/51/813572751.db2.gz IPAMHUYQKRZRBS-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CC(C)c1ccc(CC[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001207523390 813586982 /nfs/dbraw/zinc/58/69/82/813586982.db2.gz IBWCXJLRSWHNAA-UHFFFAOYSA-N 1 3 286.463 3.380 20 0 CGADHO Cc1ccc([C@@H](C)CCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC001208149734 813709521 /nfs/dbraw/zinc/70/95/21/813709521.db2.gz AUWMLYHEZCDWRQ-HNNXBMFYSA-N 1 3 299.418 3.299 20 0 CGADHO COc1ccc(C[N@H+](C)CC2(CN(C)C)CCCC2)cc1 ZINC001208184704 813734754 /nfs/dbraw/zinc/73/47/54/813734754.db2.gz FCAXPLJMDSTHOZ-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO COc1ccc(C[N@@H+](C)CC2(CN(C)C)CCCC2)cc1 ZINC001208184704 813734757 /nfs/dbraw/zinc/73/47/57/813734757.db2.gz FCAXPLJMDSTHOZ-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO COc1ccc([C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC001208612714 813772981 /nfs/dbraw/zinc/77/29/81/813772981.db2.gz NIRREEZOKIXFTB-CABCVRRESA-N 1 3 276.424 3.030 20 0 CGADHO COc1ccc([C@@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001208612714 813772985 /nfs/dbraw/zinc/77/29/85/813772985.db2.gz NIRREEZOKIXFTB-CABCVRRESA-N 1 3 276.424 3.030 20 0 CGADHO CN1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607329 813774241 /nfs/dbraw/zinc/77/42/41/813774241.db2.gz LRKFXNNZCZMRBU-GUYCJALGSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@H](C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607329 813774243 /nfs/dbraw/zinc/77/42/43/813774243.db2.gz LRKFXNNZCZMRBU-GUYCJALGSA-N 1 3 294.389 3.444 20 0 CGADHO FC1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208931411 813902942 /nfs/dbraw/zinc/90/29/42/813902942.db2.gz JJIBSHKBOWSKEC-QGZVFWFLSA-N 1 3 290.426 3.333 20 0 CGADHO FC1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208931411 813902948 /nfs/dbraw/zinc/90/29/48/813902948.db2.gz JJIBSHKBOWSKEC-QGZVFWFLSA-N 1 3 290.426 3.333 20 0 CGADHO FC1CC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209449350 814046897 /nfs/dbraw/zinc/04/68/97/814046897.db2.gz GTQAYJODHYRIOQ-UHFFFAOYSA-N 1 3 268.420 3.077 20 0 CGADHO C[N@H+](CCCN1CCCCC1)CCc1cccc(F)c1 ZINC001209453178 814047847 /nfs/dbraw/zinc/04/78/47/814047847.db2.gz ZMPOGMOTRVMNHF-UHFFFAOYSA-N 1 3 278.415 3.176 20 0 CGADHO C[N@@H+](CCCN1CCCCC1)CCc1cccc(F)c1 ZINC001209453178 814047852 /nfs/dbraw/zinc/04/78/52/814047852.db2.gz ZMPOGMOTRVMNHF-UHFFFAOYSA-N 1 3 278.415 3.176 20 0 CGADHO Nc1nc2cc(C3=CC[C@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC001242691158 823101302 /nfs/dbraw/zinc/10/13/02/823101302.db2.gz BCJQQWUGTZTXLG-AWEZNQCLSA-N 1 3 282.391 3.177 20 0 CGADHO Nc1nc2ccc(C3=CC[C@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC001242691158 823101305 /nfs/dbraw/zinc/10/13/05/823101305.db2.gz BCJQQWUGTZTXLG-AWEZNQCLSA-N 1 3 282.391 3.177 20 0 CGADHO CC[NH+](CC)Cc1ccc(Nc2cnc(C)n2C)cc1 ZINC001209822141 814154144 /nfs/dbraw/zinc/15/41/44/814154144.db2.gz SQDWDONFUZGGPE-UHFFFAOYSA-N 1 3 272.396 3.314 20 0 CGADHO CC[NH+](CC)Cc1ccc(Nc2nccn2C)cc1 ZINC001209821713 814154353 /nfs/dbraw/zinc/15/43/53/814154353.db2.gz RNZVCRKPZYHEFA-UHFFFAOYSA-N 1 3 258.369 3.006 20 0 CGADHO CC(C)=CCCC1=CC[C@@H](CN2CC(C[NH3+])C2)CC1 ZINC001210543779 814517583 /nfs/dbraw/zinc/51/75/83/814517583.db2.gz IDZYVNYNDPIASZ-MRXNPFEDSA-N 1 3 262.441 3.350 20 0 CGADHO C[C@H]1C[C@H](Oc2ccc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC001218057537 816078782 /nfs/dbraw/zinc/07/87/82/816078782.db2.gz SARBBJGAUBFXJM-GOEBONIOSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2ccccc2c1CN(C)C ZINC001218415430 816204324 /nfs/dbraw/zinc/20/43/24/816204324.db2.gz OMQXFMBJQPGCEY-RDTXWAMCSA-N 1 3 298.430 3.278 20 0 CGADHO Clc1cccc(CCCN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222140946 816357255 /nfs/dbraw/zinc/35/72/55/816357255.db2.gz AHRWLCDPGSUSNT-QGZVFWFLSA-N 1 3 292.854 3.348 20 0 CGADHO CC(C)(C)c1ccc(CN2CCC3(CCC[NH2+]C3)CC2)[nH]1 ZINC001222452643 816448509 /nfs/dbraw/zinc/44/85/09/816448509.db2.gz IPAJWAYEQAHGFD-UHFFFAOYSA-N 1 3 289.467 3.278 20 0 CGADHO Cc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(C)n1 ZINC001232003251 818231418 /nfs/dbraw/zinc/23/14/18/818231418.db2.gz LVMANLPKCZSNCB-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@H](CF)C2)c1 ZINC001232146035 818264918 /nfs/dbraw/zinc/26/49/18/818264918.db2.gz GVNAWLRLERVFTL-CYBMUJFWSA-N 1 3 282.378 3.069 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2cccc(CF)n2)CC1 ZINC001232536474 818381559 /nfs/dbraw/zinc/38/15/59/818381559.db2.gz FPIYEYBHAPGPRX-UHFFFAOYSA-N 1 3 293.430 3.103 20 0 CGADHO CC(C)(C)c1[nH]c2ccccc2c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980114 818969252 /nfs/dbraw/zinc/96/92/52/818969252.db2.gz UTZCZLXIGGKFFF-OKILXGFUSA-N 1 3 297.446 3.117 20 0 CGADHO c1cc2c(c(C[N@@H+]3CCCCC34CCNCC4)c1)CCC2 ZINC001235191111 819032116 /nfs/dbraw/zinc/03/21/16/819032116.db2.gz MCMSPXKTMGSFCT-UHFFFAOYSA-N 1 3 284.447 3.283 20 0 CGADHO c1cc2c(c(C[N@H+]3CCCCC34CCNCC4)c1)CCC2 ZINC001235191111 819032126 /nfs/dbraw/zinc/03/21/26/819032126.db2.gz MCMSPXKTMGSFCT-UHFFFAOYSA-N 1 3 284.447 3.283 20 0 CGADHO Fc1cccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235231577 819042014 /nfs/dbraw/zinc/04/20/14/819042014.db2.gz UJWWPYGGMDCPHK-QGZVFWFLSA-N 1 3 276.399 3.180 20 0 CGADHO CC(C)(CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235253199 819049428 /nfs/dbraw/zinc/04/94/28/819049428.db2.gz CILZVDAIWTXDCS-WBVHZDCISA-N 1 3 272.436 3.038 20 0 CGADHO Cc1cc(Cl)c(CN2CC[C@@H](C3C[NH2+]C3)C2)c(Cl)c1 ZINC001235342109 819072723 /nfs/dbraw/zinc/07/27/23/819072723.db2.gz SSDAYRURPFJOQP-LLVKDONJSA-N 1 3 299.245 3.343 20 0 CGADHO CC(C)c1ccccc1C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235400628 819084665 /nfs/dbraw/zinc/08/46/65/819084665.db2.gz DPXLEVSKIXVAKI-ZWKOTPCHSA-N 1 3 290.426 3.334 20 0 CGADHO CC(C)c1ccccc1C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235400628 819084668 /nfs/dbraw/zinc/08/46/68/819084668.db2.gz DPXLEVSKIXVAKI-ZWKOTPCHSA-N 1 3 290.426 3.334 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)C1(C)C ZINC001235409794 819088657 /nfs/dbraw/zinc/08/86/57/819088657.db2.gz WVWFZRDEKSKDJR-SOLBZPMBSA-N 1 3 294.458 3.392 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)C1(C)C ZINC001235409794 819088661 /nfs/dbraw/zinc/08/86/61/819088661.db2.gz WVWFZRDEKSKDJR-SOLBZPMBSA-N 1 3 294.458 3.392 20 0 CGADHO c1ccc(C[C@H]2CCCN(CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672304 819133737 /nfs/dbraw/zinc/13/37/37/819133737.db2.gz ALYLHKYLZGTGEV-RTBURBONSA-N 1 3 286.463 3.473 20 0 CGADHO C[NH2+]CC1CCN(Cc2scc(C)c2Cl)CC1 ZINC001235678533 819138302 /nfs/dbraw/zinc/13/83/02/819138302.db2.gz MJWIXBLYPQUAGW-UHFFFAOYSA-N 1 3 272.845 3.141 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001235678898 819138894 /nfs/dbraw/zinc/13/88/94/819138894.db2.gz IIBMYVAEBNFNAV-UHFFFAOYSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)[C@H]1C ZINC001235695653 819145782 /nfs/dbraw/zinc/14/57/82/819145782.db2.gz YHKVUQWOXFISGF-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)[C@H]1C ZINC001235695653 819145786 /nfs/dbraw/zinc/14/57/86/819145786.db2.gz YHKVUQWOXFISGF-NEPJUHHUSA-N 1 3 264.438 3.014 20 0 CGADHO [NH3+][C@H](Cc1ccccc1)CN1CC[C@H](Cc2ccccc2)C1 ZINC001235715234 819150015 /nfs/dbraw/zinc/15/00/15/819150015.db2.gz OAHPWHRHUMQDJX-WOJBJXKFSA-N 1 3 294.442 3.121 20 0 CGADHO Cc1ccc2ccccc2c1CN(C)C[C@H]1CC[NH2+]C1 ZINC001235843204 819185507 /nfs/dbraw/zinc/18/55/07/819185507.db2.gz XPOHMOVJVUQSCU-HNNXBMFYSA-N 1 3 268.404 3.190 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893965 819203369 /nfs/dbraw/zinc/20/33/69/819203369.db2.gz YVIYXPJOXOAYSC-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893965 819203375 /nfs/dbraw/zinc/20/33/75/819203375.db2.gz YVIYXPJOXOAYSC-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO CCSc1ccccc1CN1CCC[C@H]1CC[NH3+] ZINC001235925191 819223720 /nfs/dbraw/zinc/22/37/20/819223720.db2.gz DOMAKSGKYGIPCF-AWEZNQCLSA-N 1 3 264.438 3.112 20 0 CGADHO CC(C)COc1ccc(CN2CCC[C@H]2CC[NH3+])cc1 ZINC001235925717 819224437 /nfs/dbraw/zinc/22/44/37/819224437.db2.gz YCBSZVGBKAVYQL-INIZCTEOSA-N 1 3 276.424 3.035 20 0 CGADHO CCCc1ccc(CN2CCC[C@H]2CC[NH3+])s1 ZINC001235925724 819224803 /nfs/dbraw/zinc/22/48/03/819224803.db2.gz YISXBWXPILLVRC-LBPRGKRZSA-N 1 3 252.427 3.014 20 0 CGADHO c1ccc(-c2cccc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)cc1 ZINC001235938878 819231944 /nfs/dbraw/zinc/23/19/44/819231944.db2.gz MECHKJLAKXMLLQ-VQTJNVASSA-N 1 3 292.426 3.395 20 0 CGADHO Clc1ccc2c(c1)CCN(CC[C@H]1CCC[NH2+]C1)C2 ZINC001235939479 819233628 /nfs/dbraw/zinc/23/36/28/819233628.db2.gz DTJKRXDAYBWESL-CYBMUJFWSA-N 1 3 278.827 3.088 20 0 CGADHO CCN(Cc1ccc2c(c1)C[NH2+]C2)Cc1cccc(OC)c1 ZINC001235962712 819251739 /nfs/dbraw/zinc/25/17/39/819251739.db2.gz PNVHHKRJLOIOHQ-UHFFFAOYSA-N 1 3 296.414 3.321 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235977616 819256746 /nfs/dbraw/zinc/25/67/46/819256746.db2.gz GZJVVBSAYPFWIE-BLLLJJGKSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235977616 819256751 /nfs/dbraw/zinc/25/67/51/819256751.db2.gz GZJVVBSAYPFWIE-BLLLJJGKSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235977626 819257353 /nfs/dbraw/zinc/25/73/53/819257353.db2.gz GZJVVBSAYPFWIE-MLGOLLRUSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235977626 819257359 /nfs/dbraw/zinc/25/73/59/819257359.db2.gz GZJVVBSAYPFWIE-MLGOLLRUSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235985636 819261013 /nfs/dbraw/zinc/26/10/13/819261013.db2.gz BRHOXBVHLAEFLZ-WBMJQRKESA-N 1 3 272.417 3.133 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235985636 819261020 /nfs/dbraw/zinc/26/10/20/819261020.db2.gz BRHOXBVHLAEFLZ-WBMJQRKESA-N 1 3 272.417 3.133 20 0 CGADHO CCN(Cc1cccc(F)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236040981 819281064 /nfs/dbraw/zinc/28/10/64/819281064.db2.gz CNVGXQACPDIBGZ-UHFFFAOYSA-N 1 3 298.405 3.494 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](N)C2)c2ccccc12 ZINC001236051323 819287324 /nfs/dbraw/zinc/28/73/24/819287324.db2.gz VXQGTOOKLNMGMK-CZUORRHYSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H](N)C2)c2ccccc12 ZINC001236051323 819287331 /nfs/dbraw/zinc/28/73/31/819287331.db2.gz VXQGTOOKLNMGMK-CZUORRHYSA-N 1 3 268.404 3.317 20 0 CGADHO CCC[N@H+](Cc1c(C)cc(F)cc1C)C1CCNCC1 ZINC001236184375 819359855 /nfs/dbraw/zinc/35/98/55/819359855.db2.gz JYMNAYYPRCZYDY-UHFFFAOYSA-N 1 3 278.415 3.407 20 0 CGADHO CCC[N@@H+](Cc1c(C)cc(F)cc1C)C1CCNCC1 ZINC001236184375 819359860 /nfs/dbraw/zinc/35/98/60/819359860.db2.gz JYMNAYYPRCZYDY-UHFFFAOYSA-N 1 3 278.415 3.407 20 0 CGADHO CCCN(Cc1c(C)cc(F)cc1C)C1CC[NH2+]CC1 ZINC001236184375 819359868 /nfs/dbraw/zinc/35/98/68/819359868.db2.gz JYMNAYYPRCZYDY-UHFFFAOYSA-N 1 3 278.415 3.407 20 0 CGADHO C[C@H](c1cccc2ccccc21)N(C)C[C@H]1CC[NH2+]C1 ZINC001236190715 819362941 /nfs/dbraw/zinc/36/29/41/819362941.db2.gz WRDYWLRNGPVSMT-CABCVRRESA-N 1 3 268.404 3.442 20 0 CGADHO C[N@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCCC[C@H]1N ZINC001236213139 819376902 /nfs/dbraw/zinc/37/69/02/819376902.db2.gz NQFQLPBRUICISF-SJORKVTESA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc(O)c2ccccc12)[C@H]1CCCC[C@H]1N ZINC001236213139 819376910 /nfs/dbraw/zinc/37/69/10/819376910.db2.gz NQFQLPBRUICISF-SJORKVTESA-N 1 3 284.403 3.247 20 0 CGADHO C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1N ZINC001236216393 819379878 /nfs/dbraw/zinc/37/98/78/819379878.db2.gz KAXBGBSOUBHBBE-IAGOWNOFSA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1N ZINC001236216393 819379883 /nfs/dbraw/zinc/37/98/83/819379883.db2.gz KAXBGBSOUBHBBE-IAGOWNOFSA-N 1 3 258.409 3.266 20 0 CGADHO C[N@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@@H]1N ZINC001236218795 819384880 /nfs/dbraw/zinc/38/48/80/819384880.db2.gz UCKVUILERKUHPO-ZWKOTPCHSA-N 1 3 272.436 3.267 20 0 CGADHO C[N@@H+](Cc1cccc2c1CCCC2)[C@@H]1CCCC[C@@H]1N ZINC001236218795 819384882 /nfs/dbraw/zinc/38/48/82/819384882.db2.gz UCKVUILERKUHPO-ZWKOTPCHSA-N 1 3 272.436 3.267 20 0 CGADHO CCN(CCc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407159 819454295 /nfs/dbraw/zinc/45/42/95/819454295.db2.gz CHAICFHBNPUKQL-KRWDZBQOSA-N 1 3 274.452 3.284 20 0 CGADHO CCN(CCCc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407514 819455085 /nfs/dbraw/zinc/45/50/85/819455085.db2.gz FFHWHQZXMSRTFY-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](N)[C@H]1C ZINC001236417628 819463627 /nfs/dbraw/zinc/46/36/27/819463627.db2.gz CKFKHXJAZLHFHH-KDOFPFPSSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](N)[C@H]1C ZINC001236417628 819463629 /nfs/dbraw/zinc/46/36/29/819463629.db2.gz CKFKHXJAZLHFHH-KDOFPFPSSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](CC(C)C)C1CCNCC1 ZINC001236508790 819507905 /nfs/dbraw/zinc/50/79/05/819507905.db2.gz ANIZAWRHMTXQGQ-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](CC(C)C)C1CCNCC1 ZINC001236508790 819507908 /nfs/dbraw/zinc/50/79/08/819507908.db2.gz ANIZAWRHMTXQGQ-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO Cc1ccc(F)cc1CN(CC(C)C)C1CC[NH2+]CC1 ZINC001236508790 819507911 /nfs/dbraw/zinc/50/79/11/819507911.db2.gz ANIZAWRHMTXQGQ-UHFFFAOYSA-N 1 3 278.415 3.344 20 0 CGADHO CCCN(Cc1ccc2ccn(CC)c2c1)C[C@H]1CC[NH2+]C1 ZINC001236834314 819613091 /nfs/dbraw/zinc/61/30/91/819613091.db2.gz HDSUOCNNOFAZPE-KRWDZBQOSA-N 1 3 299.462 3.483 20 0 CGADHO CCCN(Cc1c[nH]c2ccc(C)cc12)C[C@@H]1CC[NH2+]C1 ZINC001236834209 819613753 /nfs/dbraw/zinc/61/37/53/819613753.db2.gz FJVDVCSPDUCGCX-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1c[nH]c2cc(C)ccc12)C[C@@H]1CC[NH2+]C1 ZINC001236835589 819614733 /nfs/dbraw/zinc/61/47/33/819614733.db2.gz NQWGNCUVKGICAO-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO CCCN(Cc1ccc(Cl)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835969 819615095 /nfs/dbraw/zinc/61/50/95/819615095.db2.gz RIKQSZIVLMWBIJ-OAHLLOKOSA-N 1 3 280.843 3.470 20 0 CGADHO CN1CC[C@]2(CC[N@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237075463 819659691 /nfs/dbraw/zinc/65/96/91/819659691.db2.gz DHLGATMEEJJNOV-IBGZPJMESA-N 1 3 296.414 3.073 20 0 CGADHO CN1CC[C@]2(CC[N@@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237075463 819659695 /nfs/dbraw/zinc/65/96/95/819659695.db2.gz DHLGATMEEJJNOV-IBGZPJMESA-N 1 3 296.414 3.073 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cccc3c2CCCC3)C1 ZINC001237081994 819661975 /nfs/dbraw/zinc/66/19/75/819661975.db2.gz OKJSPPWGOXRAIV-SFHVURJKSA-N 1 3 272.436 3.126 20 0 CGADHO Cc1cc(C[N@H+](C)CCCN(C)C)ccc1OC(C)C ZINC001237716640 819819591 /nfs/dbraw/zinc/81/95/91/819819591.db2.gz KMKFDSHNBDSTTQ-UHFFFAOYSA-N 1 3 278.440 3.166 20 0 CGADHO Cc1cc(C[N@@H+](C)CCCN(C)C)ccc1OC(C)C ZINC001237716640 819819597 /nfs/dbraw/zinc/81/95/97/819819597.db2.gz KMKFDSHNBDSTTQ-UHFFFAOYSA-N 1 3 278.440 3.166 20 0 CGADHO C[C@H](COCC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001343265675 936492926 /nfs/dbraw/zinc/49/29/26/936492926.db2.gz GYEMXDKSMKSACA-CCNLRDMRSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](COCC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001343265675 936492929 /nfs/dbraw/zinc/49/29/29/936492929.db2.gz GYEMXDKSMKSACA-CCNLRDMRSA-N 1 3 294.483 3.187 20 0 CGADHO COc1ccc(Cl)cc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC001348840563 936936478 /nfs/dbraw/zinc/93/64/78/936936478.db2.gz NJXCZUMQFIYGSU-HUUCEWRRSA-N 1 3 296.842 3.141 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N(C)CCC[NH+](C)C ZINC000352873758 932729950 /nfs/dbraw/zinc/72/99/50/932729950.db2.gz GYJFPGFTUAKTLQ-ZDUSSCGKSA-N 1 3 268.832 3.155 20 0 CGADHO CCC(C)(C)CC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462498857 937645436 /nfs/dbraw/zinc/64/54/36/937645436.db2.gz ZCMQXBQJLQQQEE-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CCCCC[C@@H]1CCCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC001307949543 933025665 /nfs/dbraw/zinc/02/56/65/933025665.db2.gz HFQBSJZRNPVNMB-IAGOWNOFSA-N 1 3 284.488 3.122 20 0 CGADHO CCCCC[C@@H]1CCCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC001307949543 933025670 /nfs/dbraw/zinc/02/56/70/933025670.db2.gz HFQBSJZRNPVNMB-IAGOWNOFSA-N 1 3 284.488 3.122 20 0 CGADHO C[C@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041411 933038677 /nfs/dbraw/zinc/03/86/77/933038677.db2.gz SSOUGUWVRMUNKG-JKSUJKDBSA-N 1 3 281.403 3.353 20 0 CGADHO Cc1cc(C[N@@H+](C)CCCN(C)C)ccc1C(F)(F)F ZINC001308748571 933169730 /nfs/dbraw/zinc/16/97/30/933169730.db2.gz RIEBTMWLUGJHGI-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO Cc1cc(C[N@H+](C)CCCN(C)C)ccc1C(F)(F)F ZINC001308748571 933169734 /nfs/dbraw/zinc/16/97/34/933169734.db2.gz RIEBTMWLUGJHGI-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CSC[C@@H]1C)C1CCCCC1 ZINC001308850736 933189327 /nfs/dbraw/zinc/18/93/27/933189327.db2.gz KAHHLAODZLSPHH-GOEBONIOSA-N 1 3 284.513 3.372 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CSC[C@@H]1C)C1CCCCC1 ZINC001308850736 933189331 /nfs/dbraw/zinc/18/93/31/933189331.db2.gz KAHHLAODZLSPHH-GOEBONIOSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)c1cccc(Cl)c1 ZINC001308983351 933221184 /nfs/dbraw/zinc/22/11/84/933221184.db2.gz CLUQPQJCFVDYLM-ODVANORSSA-N 1 3 292.854 3.373 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC001319382580 933866837 /nfs/dbraw/zinc/86/68/37/933866837.db2.gz GMLIVWJIPAYJDM-UONOGXRCSA-N 1 3 294.414 3.217 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC001319455485 933879263 /nfs/dbraw/zinc/87/92/63/933879263.db2.gz WBGOWYIGVIIBGY-SJCJKPOMSA-N 1 3 294.389 3.274 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN(CC)C2)s1 ZINC001319755772 933927846 /nfs/dbraw/zinc/92/78/46/933927846.db2.gz SWWYZJNQRLPGIU-JSGCOSHPSA-N 1 3 295.496 3.396 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC001319755713 933928064 /nfs/dbraw/zinc/92/80/64/933928064.db2.gz REPIWUOFWXWUBP-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001473567667 937812294 /nfs/dbraw/zinc/81/22/94/937812294.db2.gz VOBWGYDABNZVEV-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001473567667 937812296 /nfs/dbraw/zinc/81/22/96/937812296.db2.gz VOBWGYDABNZVEV-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC1([NH+](C)C)CCN(CC2CC(C)(C)C2)CC1 ZINC001473695483 937817763 /nfs/dbraw/zinc/81/77/63/937817763.db2.gz PQDBMMNFFABSCH-UHFFFAOYSA-N 1 3 252.446 3.229 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC001329421159 935215028 /nfs/dbraw/zinc/21/50/28/935215028.db2.gz ZTUAXXMJWFDIMZ-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC001329421159 935215031 /nfs/dbraw/zinc/21/50/31/935215031.db2.gz ZTUAXXMJWFDIMZ-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC001329421159 935215033 /nfs/dbraw/zinc/21/50/33/935215033.db2.gz ZTUAXXMJWFDIMZ-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC001329421158 935215341 /nfs/dbraw/zinc/21/53/41/935215341.db2.gz ZTUAXXMJWFDIMZ-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC001329421158 935215344 /nfs/dbraw/zinc/21/53/44/935215344.db2.gz ZTUAXXMJWFDIMZ-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H](CC(C)C)c2ccncc2)C1 ZINC001329421158 935215348 /nfs/dbraw/zinc/21/53/48/935215348.db2.gz ZTUAXXMJWFDIMZ-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CO[C@@H](C)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001474494630 937863241 /nfs/dbraw/zinc/86/32/41/937863241.db2.gz CDROTULVZGZBRS-INIZCTEOSA-N 1 3 290.451 3.043 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)F)C2)C1 ZINC001549548707 938158016 /nfs/dbraw/zinc/15/80/16/938158016.db2.gz YJGJTRGKVHNPBW-MCIONIFRSA-N 1 3 274.399 3.132 20 0 CGADHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCC(c2cccc3[nH]ccc32)CC1 ZINC001550352807 938166155 /nfs/dbraw/zinc/16/61/55/938166155.db2.gz GETWVKARASSKJT-GDBMZVCRSA-N 1 3 297.446 3.203 20 0 CGADHO C[C@]1(CN2CCC(c3cccc4[nH]ccc43)CC2)CC[NH2+]C1 ZINC001550351786 938166287 /nfs/dbraw/zinc/16/62/87/938166287.db2.gz GNEFFBCPMLAVJO-IBGZPJMESA-N 1 3 297.446 3.347 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001552414269 938192184 /nfs/dbraw/zinc/19/21/84/938192184.db2.gz MTYSIEAMUQYNKA-CYGHRXIMSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001552414269 938192185 /nfs/dbraw/zinc/19/21/85/938192185.db2.gz MTYSIEAMUQYNKA-CYGHRXIMSA-N 1 3 272.436 3.382 20 0 CGADHO CC(C)OC1CCC([NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC001553027119 938196018 /nfs/dbraw/zinc/19/60/18/938196018.db2.gz VWFFJSJUDNSAMN-LMNGEROHSA-N 1 3 294.483 3.089 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC2CC(c3ccccc3Cl)C2)C12CCC2 ZINC001553026862 938196033 /nfs/dbraw/zinc/19/60/33/938196033.db2.gz CFKRDFIBJFLNSB-TUHYSUIHSA-N 1 3 290.838 3.446 20 0 CGADHO CCCCN(CCOCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001560035982 938242186 /nfs/dbraw/zinc/24/21/86/938242186.db2.gz MZZUXYQMJAQQIV-UHFFFAOYSA-N 1 3 284.488 3.434 20 0 CGADHO CC(C)(C)[C@@H]1CCCN(Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC001575119730 960470886 /nfs/dbraw/zinc/47/08/86/960470886.db2.gz OHDQUCKRWOITSQ-GFCCVEGCSA-N 1 3 293.480 3.047 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001575423395 962382260 /nfs/dbraw/zinc/38/22/60/962382260.db2.gz TWBGNIGNLGUIMJ-RYQLBKOJSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001575423395 962382276 /nfs/dbraw/zinc/38/22/76/962382276.db2.gz TWBGNIGNLGUIMJ-RYQLBKOJSA-N 1 3 274.452 3.170 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCN1 ZINC001575546029 962387164 /nfs/dbraw/zinc/38/71/64/962387164.db2.gz SCZAJIRODLHGCL-CVEARBPZSA-N 1 3 280.843 3.249 20 0 CGADHO CC(C)N(CCC1([NH3+])CCOCC1)[C@@H](C)c1ccsc1 ZINC001575690360 962410731 /nfs/dbraw/zinc/41/07/31/962410731.db2.gz JVOJEQOJJHBVBL-AWEZNQCLSA-N 1 3 296.480 3.418 20 0 CGADHO C[C@@H]1CCCN(C[C@]2(C)CC2(Cl)Cl)[C@H]1CC[NH3+] ZINC001576705547 962485250 /nfs/dbraw/zinc/48/52/50/962485250.db2.gz UMXFKMMCUILNCK-WOPDTQHZSA-N 1 3 279.255 3.020 20 0 CGADHO CC[C@H](CCc1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001577076664 962511927 /nfs/dbraw/zinc/51/19/27/962511927.db2.gz AFDQPPSSMJVUSK-DJIMGWMZSA-N 1 3 260.425 3.128 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC001577251060 962513974 /nfs/dbraw/zinc/51/39/74/962513974.db2.gz VFQNRAMLJXQVPC-RISCZKNCSA-N 1 3 264.438 3.062 20 0 CGADHO CO[C@H](CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+])C1CCCCC1 ZINC001578909076 962601316 /nfs/dbraw/zinc/60/13/16/962601316.db2.gz PLHUVJGEDABAIK-TXCZRRACSA-N 1 3 282.472 3.029 20 0 CGADHO COCC[C@H](c1ccccc1)N(C)CC[C@@H]([NH3+])C(C)C ZINC001579005796 962609708 /nfs/dbraw/zinc/60/97/08/962609708.db2.gz YVMZABAMAKBKIS-IAGOWNOFSA-N 1 3 278.440 3.069 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCc1cccc2ccccc21 ZINC001579454486 962629934 /nfs/dbraw/zinc/62/99/34/962629934.db2.gz GHALUGQWWLUJSH-QAPCUYQASA-N 1 3 282.431 3.170 20 0 CGADHO c1ccc([C@@H]2CCN2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC001580892742 962738896 /nfs/dbraw/zinc/73/88/96/962738896.db2.gz FLAYSYRIFKJUJV-IBGZPJMESA-N 1 3 278.399 3.279 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000089147680 290009802 /nfs/dbraw/zinc/00/98/02/290009802.db2.gz GZGHZBMLUOVNFM-ZKYQVNSYSA-N 1 3 252.789 3.118 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2cccc3c2CCC3)CC1 ZINC000651611204 398258090 /nfs/dbraw/zinc/25/80/90/398258090.db2.gz MZLDNFYQVZOAIF-UHFFFAOYSA-N 1 3 272.436 3.091 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]C2(C)CCCCC2)cc1 ZINC000590302852 346841638 /nfs/dbraw/zinc/84/16/38/346841638.db2.gz QKVRQDROQVCEAR-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CC(C)CN(C)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000651865794 398299215 /nfs/dbraw/zinc/29/92/15/398299215.db2.gz IARLWXYWSDVFNW-UHFFFAOYSA-N 1 3 296.499 3.293 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000337986682 214344127 /nfs/dbraw/zinc/34/41/27/214344127.db2.gz POWLLBNJJXJYNL-ZWKOTPCHSA-N 1 3 272.436 3.417 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423484022 529453403 /nfs/dbraw/zinc/45/34/03/529453403.db2.gz YDERNTLWFILGNZ-ROUUACIJSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456598 529453410 /nfs/dbraw/zinc/45/34/10/529453410.db2.gz DRYYFXRVMMAAMD-AAEUAGOBSA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423464432 529453850 /nfs/dbraw/zinc/45/38/50/529453850.db2.gz LZHDPOAQNDSJTN-QEJZJMRPSA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)NC[C@H](C)C[NH3+] ZINC000423300899 529532628 /nfs/dbraw/zinc/53/26/28/529532628.db2.gz SLCMLBLSNGAGRI-YPMHNXCESA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](C)CN ZINC000423300899 529532629 /nfs/dbraw/zinc/53/26/29/529532629.db2.gz SLCMLBLSNGAGRI-YPMHNXCESA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@H](NCC1=CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423343592 529593676 /nfs/dbraw/zinc/59/36/76/529593676.db2.gz MBEPZGFKYARAHO-AWEZNQCLSA-N 1 3 282.790 3.440 20 0 CGADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(Br)cc1 ZINC000423316052 529619202 /nfs/dbraw/zinc/61/92/02/529619202.db2.gz JQQSTJYYXXIFHQ-KBPBESRZSA-N 1 3 297.240 3.227 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000623394432 349797943 /nfs/dbraw/zinc/79/79/43/349797943.db2.gz FKYNVGHEHGCTMU-LBPRGKRZSA-N 1 3 284.806 3.442 20 0 CGADHO CN1CCC[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623410677 349801794 /nfs/dbraw/zinc/80/17/94/349801794.db2.gz AEWVLPVBLSMFDX-JTQLQIEISA-N 1 3 292.370 3.198 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(CCSc3ccc(Cl)cc3)C[C@@H]12 ZINC000351473291 219098932 /nfs/dbraw/zinc/09/89/32/219098932.db2.gz DHAKJGDQBBOPRL-NILFDRSVSA-N 1 3 296.867 3.101 20 0 CGADHO Clc1cnccc1CNCCCCC[NH+]1CCCC1 ZINC000623533952 349828173 /nfs/dbraw/zinc/82/81/73/349828173.db2.gz OTBGKGVDWNHDHF-UHFFFAOYSA-N 1 3 281.831 3.091 20 0 CGADHO Cc1ccc(SCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000351493165 219103806 /nfs/dbraw/zinc/10/38/06/219103806.db2.gz MDYHIFNUQOCAGT-USXIJHARSA-N 1 3 290.476 3.065 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc1C ZINC000623654522 349856897 /nfs/dbraw/zinc/85/68/97/349856897.db2.gz BJCQDCJQBULJRV-KRWDZBQOSA-N 1 3 260.425 3.125 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656030 349856931 /nfs/dbraw/zinc/85/69/31/349856931.db2.gz LGTVPRVLSZJCIU-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656030 349856932 /nfs/dbraw/zinc/85/69/32/349856932.db2.gz LGTVPRVLSZJCIU-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656030 349856933 /nfs/dbraw/zinc/85/69/33/349856933.db2.gz LGTVPRVLSZJCIU-XSVZSIDJSA-N 1 3 272.436 3.411 20 0 CGADHO CCCOc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623655031 349857300 /nfs/dbraw/zinc/85/73/00/349857300.db2.gz MLYMSPRZCSEQOJ-QGZVFWFLSA-N 1 3 290.451 3.297 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)cc2cccnc12 ZINC000623657298 349858346 /nfs/dbraw/zinc/85/83/46/349858346.db2.gz MYSAVNZJAJMBJM-INIZCTEOSA-N 1 3 297.446 3.365 20 0 CGADHO CN(Cc1cccc2ccoc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000449017993 529996762 /nfs/dbraw/zinc/99/67/62/529996762.db2.gz ZVXIZRIRSLSWCF-CQSZACIVSA-N 1 3 272.392 3.206 20 0 CGADHO CN(Cc1cccc2ccoc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000449017993 529996763 /nfs/dbraw/zinc/99/67/63/529996763.db2.gz ZVXIZRIRSLSWCF-CQSZACIVSA-N 1 3 272.392 3.206 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423256210 529999316 /nfs/dbraw/zinc/99/93/16/529999316.db2.gz BMOWSLVPQCRJKI-LRDDRELGSA-N 1 3 280.843 3.106 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423256210 529999317 /nfs/dbraw/zinc/99/93/17/529999317.db2.gz BMOWSLVPQCRJKI-LRDDRELGSA-N 1 3 280.843 3.106 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423270779 529999489 /nfs/dbraw/zinc/99/94/89/529999489.db2.gz IMPNYRBPAXQZAJ-ZFDZMSFRSA-N 1 3 280.378 3.189 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040622773 344964113 /nfs/dbraw/zinc/96/41/13/344964113.db2.gz CCUSJHNWQMLADD-FHERZECASA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000040622773 344964115 /nfs/dbraw/zinc/96/41/15/344964115.db2.gz CCUSJHNWQMLADD-FHERZECASA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000040622773 344964117 /nfs/dbraw/zinc/96/41/17/344964117.db2.gz CCUSJHNWQMLADD-FHERZECASA-N 1 3 290.426 3.392 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C(C1CC1)C1CC1 ZINC000036984059 344946444 /nfs/dbraw/zinc/94/64/44/344946444.db2.gz LUFRDZBFADBCTE-ZDUSSCGKSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1cccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000043314281 344996795 /nfs/dbraw/zinc/99/67/95/344996795.db2.gz LPTIRDRNDBAGFF-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1cccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000043314281 344996796 /nfs/dbraw/zinc/99/67/96/344996796.db2.gz LPTIRDRNDBAGFF-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO CCc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000063197309 345244218 /nfs/dbraw/zinc/24/42/18/345244218.db2.gz YNDPJLZODSOJKF-INIZCTEOSA-N 1 3 278.465 3.275 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000076002666 345530161 /nfs/dbraw/zinc/53/01/61/345530161.db2.gz OODZFGRTKNKQRH-KRWDZBQOSA-N 1 3 274.452 3.467 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000076002666 345530162 /nfs/dbraw/zinc/53/01/62/345530162.db2.gz OODZFGRTKNKQRH-KRWDZBQOSA-N 1 3 274.452 3.467 20 0 CGADHO CCC[C@H]([NH2+]CCOCCN(C)C)c1cc(C)sc1C ZINC000623967970 349931633 /nfs/dbraw/zinc/93/16/33/349931633.db2.gz OSAOYUKCNZESRK-INIZCTEOSA-N 1 3 298.496 3.374 20 0 CGADHO CC(C)CN1CCC([NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091283083 345809799 /nfs/dbraw/zinc/80/97/99/345809799.db2.gz ZENZODPKXGXWDW-SFHVURJKSA-N 1 3 289.467 3.489 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000089214395 345766855 /nfs/dbraw/zinc/76/68/55/345766855.db2.gz KBNKXRYRKOPTLY-AFAVFJNCSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000089214395 345766857 /nfs/dbraw/zinc/76/68/57/345766857.db2.gz KBNKXRYRKOPTLY-AFAVFJNCSA-N 1 3 276.399 3.133 20 0 CGADHO c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCN3CCC[C@@H]3C1)C2 ZINC000090853718 345796423 /nfs/dbraw/zinc/79/64/23/345796423.db2.gz SBVYKSZHYVZYSQ-RTBURBONSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000090853718 345796427 /nfs/dbraw/zinc/79/64/27/345796427.db2.gz SBVYKSZHYVZYSQ-RTBURBONSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(CCN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000090853718 345796432 /nfs/dbraw/zinc/79/64/32/345796432.db2.gz SBVYKSZHYVZYSQ-RTBURBONSA-N 1 3 284.447 3.008 20 0 CGADHO Cc1nc(C)c(CN2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000172779373 232275071 /nfs/dbraw/zinc/27/50/71/232275071.db2.gz CERLCBQWCFPBMW-UHFFFAOYSA-N 1 3 293.480 3.068 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000173918805 232292084 /nfs/dbraw/zinc/29/20/84/232292084.db2.gz SXFPEXSZPRFNTP-CVEARBPZSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000173918805 232292088 /nfs/dbraw/zinc/29/20/88/232292088.db2.gz SXFPEXSZPRFNTP-CVEARBPZSA-N 1 3 290.451 3.043 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000113514904 345960872 /nfs/dbraw/zinc/96/08/72/345960872.db2.gz RTAPLQBITWJEJQ-INIZCTEOSA-N 1 3 274.452 3.368 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000113514904 345960875 /nfs/dbraw/zinc/96/08/75/345960875.db2.gz RTAPLQBITWJEJQ-INIZCTEOSA-N 1 3 274.452 3.368 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000174206973 346239309 /nfs/dbraw/zinc/23/93/09/346239309.db2.gz FXNRNJCWQTZMCW-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000174206973 346239313 /nfs/dbraw/zinc/23/93/13/346239313.db2.gz FXNRNJCWQTZMCW-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222437883 346299476 /nfs/dbraw/zinc/29/94/76/346299476.db2.gz JTKQENXSUNAKSV-MGPQQGTHSA-N 1 3 292.389 3.427 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250483817 346385453 /nfs/dbraw/zinc/38/54/53/346385453.db2.gz DGUVWTDCVYPGQM-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251639895 346389576 /nfs/dbraw/zinc/38/95/76/346389576.db2.gz FCNYOUWMOYZOPY-OWCLPIDISA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138332 346435996 /nfs/dbraw/zinc/43/59/96/346435996.db2.gz NBOHJGHOJFWTML-KFWWJZLASA-N 1 3 252.446 3.131 20 0 CGADHO C/C=C\CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658317 346555586 /nfs/dbraw/zinc/55/55/86/346555586.db2.gz WAAIRWRDMCHDDW-NSWPXQNRSA-N 1 3 258.409 3.205 20 0 CGADHO C/C=C\CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658317 346555590 /nfs/dbraw/zinc/55/55/90/346555590.db2.gz WAAIRWRDMCHDDW-NSWPXQNRSA-N 1 3 258.409 3.205 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000584840244 346717870 /nfs/dbraw/zinc/71/78/70/346717870.db2.gz ROQSGDJFHDPWQT-SCLBCKFNSA-N 1 3 266.388 3.483 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423282827 302312229 /nfs/dbraw/zinc/31/22/29/302312229.db2.gz WLINGDUVPAGBJG-RWMBFGLXSA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423282827 302312232 /nfs/dbraw/zinc/31/22/32/302312232.db2.gz WLINGDUVPAGBJG-RWMBFGLXSA-N 1 3 252.427 3.225 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119657 349975589 /nfs/dbraw/zinc/97/55/89/349975589.db2.gz GRXPMMHOAAWGOP-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO CSCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000596650650 347498354 /nfs/dbraw/zinc/49/83/54/347498354.db2.gz MKOCTYPRCRWRNK-OWCLPIDISA-N 1 3 296.524 3.420 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)s1 ZINC000624120776 349978068 /nfs/dbraw/zinc/97/80/68/349978068.db2.gz GVIZGTNBWLCKDY-JSGCOSHPSA-N 1 3 295.496 3.396 20 0 CGADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120758 349978349 /nfs/dbraw/zinc/97/83/49/349978349.db2.gz GJVTVSSARBGRQG-HOTGVXAUSA-N 1 3 292.442 3.468 20 0 CGADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)ccc1F ZINC000624121782 349980637 /nfs/dbraw/zinc/98/06/37/349980637.db2.gz CXANLEBDAAXENN-KBPBESRZSA-N 1 3 294.414 3.217 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000624123070 349981887 /nfs/dbraw/zinc/98/18/87/349981887.db2.gz FHYGTUOJPDOICU-INIZCTEOSA-N 1 3 286.463 3.256 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000624123670 349982441 /nfs/dbraw/zinc/98/24/41/349982441.db2.gz QGFKRXGOCCBRCU-BZUAXINKSA-N 1 3 296.499 3.290 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000624123956 349983056 /nfs/dbraw/zinc/98/30/56/349983056.db2.gz USSALYUKKLVZDD-KDOFPFPSSA-N 1 3 288.435 3.091 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054973 233048029 /nfs/dbraw/zinc/04/80/29/233048029.db2.gz BIJOWRVEUMPBEW-HBUWYVDXSA-N 1 3 283.419 3.053 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000358141837 233064123 /nfs/dbraw/zinc/06/41/23/233064123.db2.gz ZXEVZMXXFRUDKS-GJZGRUSLSA-N 1 3 296.817 3.238 20 0 CGADHO Fc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000358141837 233064124 /nfs/dbraw/zinc/06/41/24/233064124.db2.gz ZXEVZMXXFRUDKS-GJZGRUSLSA-N 1 3 296.817 3.238 20 0 CGADHO C[C@H]([NH2+]CC1(C)CC1)c1cccc(OCCN(C)C)c1 ZINC000358207816 233080640 /nfs/dbraw/zinc/08/06/40/233080640.db2.gz URAJNSUIYHBYAJ-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO CCN(CCOCC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062797 350254788 /nfs/dbraw/zinc/25/47/88/350254788.db2.gz GWUSAIUVDOAFPN-UHFFFAOYSA-N 1 3 292.467 3.243 20 0 CGADHO C[C@@]1(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCCS1 ZINC000628184548 350428988 /nfs/dbraw/zinc/42/89/88/350428988.db2.gz PTRZPLUHRZJXDX-CVEARBPZSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@@]1(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CCCS1 ZINC000628184548 350428991 /nfs/dbraw/zinc/42/89/91/350428991.db2.gz PTRZPLUHRZJXDX-CVEARBPZSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@@]1(CN2CC[C@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184548 350428993 /nfs/dbraw/zinc/42/89/93/350428993.db2.gz PTRZPLUHRZJXDX-CVEARBPZSA-N 1 3 282.497 3.080 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CCCC34CC4)CC2)ccn1 ZINC000628494012 350560157 /nfs/dbraw/zinc/56/01/57/350560157.db2.gz CFTFNCFHEBYQQA-HNNXBMFYSA-N 1 3 285.435 3.220 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000629527026 350703184 /nfs/dbraw/zinc/70/31/84/350703184.db2.gz IFLRADRKAVDTTA-VSZNYVQBSA-N 1 3 272.436 3.128 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000629531437 350703825 /nfs/dbraw/zinc/70/38/25/350703825.db2.gz LBKDKNPVVUCUQM-QAETUUGQSA-N 1 3 282.472 3.220 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000629535126 350705077 /nfs/dbraw/zinc/70/50/77/350705077.db2.gz BPXOKQGUFLPKPI-KQTLUZQSSA-N 1 3 258.409 3.273 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629537729 350706058 /nfs/dbraw/zinc/70/60/58/350706058.db2.gz KPKLWEXRUGJMQU-XYPHTWIQSA-N 1 3 278.415 3.123 20 0 CGADHO Cc1cc(C)c(/C=C/CNC2CC[NH+](C)CC2)cc1C ZINC000631035645 350933024 /nfs/dbraw/zinc/93/30/24/350933024.db2.gz NNFMAJAEWFBQJD-AATRIKPKSA-N 1 3 272.436 3.309 20 0 CGADHO CC[N@@H+]1CC[C@H](CNCc2ccc(F)c3ccccc23)C1 ZINC000631045852 350935679 /nfs/dbraw/zinc/93/56/79/350935679.db2.gz WCGOWOWZBUWOTL-CQSZACIVSA-N 1 3 286.394 3.410 20 0 CGADHO CC[N@H+]1CC[C@H](CNCc2ccc(F)c3ccccc23)C1 ZINC000631045852 350935682 /nfs/dbraw/zinc/93/56/82/350935682.db2.gz WCGOWOWZBUWOTL-CQSZACIVSA-N 1 3 286.394 3.410 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631045852 350935687 /nfs/dbraw/zinc/93/56/87/350935687.db2.gz WCGOWOWZBUWOTL-CQSZACIVSA-N 1 3 286.394 3.410 20 0 CGADHO CN(C)CC1(C[NH2+][C@H]2CCCc3ncccc32)CCCC1 ZINC000631615082 351090510 /nfs/dbraw/zinc/09/05/10/351090510.db2.gz ISWFLHBXFKYJQH-KRWDZBQOSA-N 1 3 287.451 3.171 20 0 CGADHO CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cc(C)ccn1 ZINC000631633565 351098773 /nfs/dbraw/zinc/09/87/73/351098773.db2.gz SUBUUVCZULKAAC-HMQMGEFJSA-N 1 3 287.451 3.446 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000291374554 198003926 /nfs/dbraw/zinc/00/39/26/198003926.db2.gz YYUFMFVENFXQOS-QZTJIDSGSA-N 1 3 270.420 3.089 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000291374554 198003928 /nfs/dbraw/zinc/00/39/28/198003928.db2.gz YYUFMFVENFXQOS-QZTJIDSGSA-N 1 3 270.420 3.089 20 0 CGADHO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000634683534 351570022 /nfs/dbraw/zinc/57/00/22/351570022.db2.gz SVFNHCGPWFQMRU-JYJNAYRXSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)[C@H](NCc1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC000635011560 351629635 /nfs/dbraw/zinc/62/96/35/351629635.db2.gz QSZMVKXMUYZPLD-IBGZPJMESA-N 1 3 295.430 3.214 20 0 CGADHO CC(C)[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1 ZINC000635012195 351630847 /nfs/dbraw/zinc/63/08/47/351630847.db2.gz RUHLUBBOUBPZJT-HOTGVXAUSA-N 1 3 275.440 3.147 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000339844412 215360228 /nfs/dbraw/zinc/36/02/28/215360228.db2.gz YATHDPCIBYVSLD-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000339844412 215360229 /nfs/dbraw/zinc/36/02/29/215360229.db2.gz YATHDPCIBYVSLD-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO FC(F)(F)CCCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420342680 303112417 /nfs/dbraw/zinc/11/24/17/303112417.db2.gz XXCFUULDITUUAZ-ZDUSSCGKSA-N 1 3 278.362 3.183 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNCc2ccn(C)c2)c1 ZINC000123418398 187090728 /nfs/dbraw/zinc/09/07/28/187090728.db2.gz APSNCIIJEHPDCH-UHFFFAOYSA-N 1 3 285.435 3.157 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262936 198223353 /nfs/dbraw/zinc/22/33/53/198223353.db2.gz YWBKYDDOOWIDRV-QGZVFWFLSA-N 1 3 292.854 3.300 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(CCCc3ccc(Cl)cc3)C2)C1 ZINC000292262936 198223354 /nfs/dbraw/zinc/22/33/54/198223354.db2.gz YWBKYDDOOWIDRV-QGZVFWFLSA-N 1 3 292.854 3.300 20 0 CGADHO c1cc(CN2CCCCC2)cc(C[NH+]2CCCC2)c1 ZINC000411149802 235031031 /nfs/dbraw/zinc/03/10/31/235031031.db2.gz SLCXRSOPAKGSAD-UHFFFAOYSA-N 1 3 258.409 3.268 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271894450 191394961 /nfs/dbraw/zinc/39/49/61/191394961.db2.gz SYIUNYXGDVHHTO-LBPRGKRZSA-N 1 3 293.480 3.487 20 0 CGADHO Cc1nc(C(C)C)sc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271894450 191394964 /nfs/dbraw/zinc/39/49/64/191394964.db2.gz SYIUNYXGDVHHTO-LBPRGKRZSA-N 1 3 293.480 3.487 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2)c(C)c1 ZINC000414057198 235324795 /nfs/dbraw/zinc/32/47/95/235324795.db2.gz FQFNPBQCLYCFHX-HNNXBMFYSA-N 1 3 276.424 3.140 20 0 CGADHO C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1COc2ccccc21 ZINC000119483184 138366767 /nfs/dbraw/zinc/36/67/67/138366767.db2.gz JCVNHKNGTWQBTC-RDJZCZTQSA-N 1 3 288.435 3.017 20 0 CGADHO Cc1ccc2ncc(C[N@H+]3CC[C@@]4(CCN(C)C4)C3)cc2c1 ZINC000336279173 213116889 /nfs/dbraw/zinc/11/68/89/213116889.db2.gz UTDBRLZCGPULCZ-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(CCN(C)C4)C3)cc2c1 ZINC000336279173 213116890 /nfs/dbraw/zinc/11/68/90/213116890.db2.gz UTDBRLZCGPULCZ-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)NCC[C@@H]1CCC[NH2+]C1 ZINC000423264365 236014034 /nfs/dbraw/zinc/01/40/34/236014034.db2.gz YJPVQIWGCSKIID-STQMWFEESA-N 1 3 296.842 3.389 20 0 CGADHO COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423314386 236034452 /nfs/dbraw/zinc/03/44/52/236034452.db2.gz GXSGIUFOCMETBU-QZTJIDSGSA-N 1 3 290.451 3.499 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423301891 236031428 /nfs/dbraw/zinc/03/14/28/236031428.db2.gz IMGJRBSPQXEYGC-HUUCEWRRSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423301891 236031430 /nfs/dbraw/zinc/03/14/30/236031430.db2.gz IMGJRBSPQXEYGC-HUUCEWRRSA-N 1 3 298.352 3.151 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423394560 236061927 /nfs/dbraw/zinc/06/19/27/236061927.db2.gz ZXWIWQZQJYRYDD-JMSVASOKSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423394560 236061929 /nfs/dbraw/zinc/06/19/29/236061929.db2.gz ZXWIWQZQJYRYDD-JMSVASOKSA-N 1 3 282.378 3.016 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423354486 236048075 /nfs/dbraw/zinc/04/80/75/236048075.db2.gz GHIHFXKOIRFWFW-ZACQAIPSSA-N 1 3 287.451 3.148 20 0 CGADHO Cc1ccc(C[C@H](N[C@H]2CCC[NH2+][C@H]2C)C2CC2)cc1 ZINC000423363108 236050307 /nfs/dbraw/zinc/05/03/07/236050307.db2.gz AKVLDPJTQRACMC-WBAXXEDZSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1ccccc1C[C@@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423361196 236050331 /nfs/dbraw/zinc/05/03/31/236050331.db2.gz RGGVDIWXKFQJCY-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423377897 236055024 /nfs/dbraw/zinc/05/50/24/236055024.db2.gz KQMSRLXYFHSWCF-UPJWGTAASA-N 1 3 282.378 3.016 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423377897 236055026 /nfs/dbraw/zinc/05/50/26/236055026.db2.gz KQMSRLXYFHSWCF-UPJWGTAASA-N 1 3 282.378 3.016 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000423493514 236085864 /nfs/dbraw/zinc/08/58/64/236085864.db2.gz BQZJDZIDIGPSAW-MZMPZRCHSA-N 1 3 299.393 3.027 20 0 CGADHO c1ccc([C@@H](NCCC[C@@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000423480969 236082896 /nfs/dbraw/zinc/08/28/96/236082896.db2.gz NVSAOCCFUBMDCX-PKOBYXMFSA-N 1 3 295.430 3.293 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OC(F)F)cc1 ZINC000424338210 236153164 /nfs/dbraw/zinc/15/31/64/236153164.db2.gz UEVCKQAJCNMFKH-ZLKJLUDKSA-N 1 3 284.350 3.209 20 0 CGADHO [NH3+]CCCCN[C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000423324607 283431216 /nfs/dbraw/zinc/43/12/16/283431216.db2.gz KQCYBCLIRPYLAG-LBPRGKRZSA-N 1 3 273.207 3.309 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000414806389 283467583 /nfs/dbraw/zinc/46/75/83/283467583.db2.gz QCZQOKFIUKUFSO-ZGRYLRDCSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C1CNC1 ZINC000422833809 299302484 /nfs/dbraw/zinc/30/24/84/299302484.db2.gz GZGHBAFPUOFHIU-QFBILLFUSA-N 1 3 294.442 3.210 20 0 CGADHO C[C@H](NC[C@@H](Cc1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422833809 299302487 /nfs/dbraw/zinc/30/24/87/299302487.db2.gz GZGHBAFPUOFHIU-QFBILLFUSA-N 1 3 294.442 3.210 20 0 CGADHO CSCc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298023618 200319022 /nfs/dbraw/zinc/31/90/22/200319022.db2.gz DYRMNDGJWIHGDU-UHFFFAOYSA-N 1 3 290.476 3.266 20 0 CGADHO CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000341969463 216170795 /nfs/dbraw/zinc/17/07/95/216170795.db2.gz PDTZYPMJLHSMCL-SLEUVZQESA-N 1 3 296.455 3.366 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-n2cccn2)cc1 ZINC000180855433 189280238 /nfs/dbraw/zinc/28/02/38/189280238.db2.gz KIOWFWMMDBCMSN-DOTOQJQBSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000180986765 189285762 /nfs/dbraw/zinc/28/57/62/189285762.db2.gz QBEUOMPRZISPQH-NVXWUHKLSA-N 1 3 288.435 3.386 20 0 CGADHO C[C@@H](NC/C=C/C[NH2+][C@H](C)c1cccnc1)c1cccnc1 ZINC000181639726 189303327 /nfs/dbraw/zinc/30/33/27/189303327.db2.gz LNRVWWZMYYAWAH-OBMMGQTPSA-N 1 3 296.418 3.034 20 0 CGADHO Cc1cccc(CN2CCC(CC[NH+](C)C)CC2)c1F ZINC000449019444 239117194 /nfs/dbraw/zinc/11/71/94/239117194.db2.gz WLRRGCRKLOMTCE-UHFFFAOYSA-N 1 3 278.415 3.298 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]CCCN1CCCC[C@H]1C ZINC000449061311 239149008 /nfs/dbraw/zinc/14/90/08/239149008.db2.gz IFDOWAFGKSDEIJ-HUUCEWRRSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](Cc1ccoc1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000449061311 239149016 /nfs/dbraw/zinc/14/90/16/239149016.db2.gz IFDOWAFGKSDEIJ-HUUCEWRRSA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](Cc1ccoc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000449061311 239149020 /nfs/dbraw/zinc/14/90/20/239149020.db2.gz IFDOWAFGKSDEIJ-HUUCEWRRSA-N 1 3 264.413 3.065 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@@H](CN(C)CC)C1)c1ccccc1 ZINC000537648070 376189971 /nfs/dbraw/zinc/18/99/71/376189971.db2.gz QXHLAFMBQDLIKB-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@@H](CN(C)CC)C1)c1ccccc1 ZINC000537648070 376189977 /nfs/dbraw/zinc/18/99/77/376189977.db2.gz QXHLAFMBQDLIKB-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@H](CN1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648070 376189981 /nfs/dbraw/zinc/18/99/81/376189981.db2.gz QXHLAFMBQDLIKB-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@H](CN1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648070 376189987 /nfs/dbraw/zinc/18/99/87/376189987.db2.gz QXHLAFMBQDLIKB-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO COc1cccc2c(C[NH2+]C[C@@H](C)CN(C)C)cccc12 ZINC000451171661 240236655 /nfs/dbraw/zinc/23/66/55/240236655.db2.gz KGZORMUGUFNTNW-CQSZACIVSA-N 1 3 286.419 3.136 20 0 CGADHO COc1cccc2c(CNC[C@@H](C)C[NH+](C)C)cccc12 ZINC000451171661 240236660 /nfs/dbraw/zinc/23/66/60/240236660.db2.gz KGZORMUGUFNTNW-CQSZACIVSA-N 1 3 286.419 3.136 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccco1 ZINC000120619874 370785765 /nfs/dbraw/zinc/78/57/65/370785765.db2.gz NXKUMNXDHZDJKI-AWEZNQCLSA-N 1 3 250.386 3.024 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccco1 ZINC000120619874 370785768 /nfs/dbraw/zinc/78/57/68/370785768.db2.gz NXKUMNXDHZDJKI-AWEZNQCLSA-N 1 3 250.386 3.024 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423264232 299369389 /nfs/dbraw/zinc/36/93/89/299369389.db2.gz BVWIGBVIJQOPPE-CORIIIEPSA-N 1 3 298.377 3.456 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2ccccc2OC)CC1 ZINC000121705782 370887849 /nfs/dbraw/zinc/88/78/49/370887849.db2.gz MXCSNYWSVZNBAL-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO CCCCOc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000480712663 243161348 /nfs/dbraw/zinc/16/13/48/243161348.db2.gz KJCHJVVSQNHVKW-CRAIPNDOSA-N 1 3 290.451 3.295 20 0 CGADHO CCCCOc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000480712663 243161354 /nfs/dbraw/zinc/16/13/54/243161354.db2.gz KJCHJVVSQNHVKW-CRAIPNDOSA-N 1 3 290.451 3.295 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322244 243186962 /nfs/dbraw/zinc/18/69/62/243186962.db2.gz ZKJAGHIUKSQMCV-OLZOCXBDSA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322244 243186965 /nfs/dbraw/zinc/18/69/65/243186965.db2.gz ZKJAGHIUKSQMCV-OLZOCXBDSA-N 1 3 278.465 3.229 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc3c(s2)CCC3)C1 ZINC000481322244 243186968 /nfs/dbraw/zinc/18/69/68/243186968.db2.gz ZKJAGHIUKSQMCV-OLZOCXBDSA-N 1 3 278.465 3.229 20 0 CGADHO CCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483489993 243288778 /nfs/dbraw/zinc/28/87/78/243288778.db2.gz HNASNQLTUXVPRC-MSOLQXFVSA-N 1 3 272.436 3.383 20 0 CGADHO CCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483489993 243288779 /nfs/dbraw/zinc/28/87/79/243288779.db2.gz HNASNQLTUXVPRC-MSOLQXFVSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483489993 243288781 /nfs/dbraw/zinc/28/87/81/243288781.db2.gz HNASNQLTUXVPRC-MSOLQXFVSA-N 1 3 272.436 3.383 20 0 CGADHO CCC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000483489993 243288782 /nfs/dbraw/zinc/28/87/82/243288782.db2.gz HNASNQLTUXVPRC-MSOLQXFVSA-N 1 3 272.436 3.383 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccco1 ZINC000019915043 368783249 /nfs/dbraw/zinc/78/32/49/368783249.db2.gz GFHCFKIAWWOGJJ-KGLIPLIRSA-N 1 3 252.402 3.441 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000035112926 368998060 /nfs/dbraw/zinc/99/80/60/368998060.db2.gz JLVWVORGBCGZPS-CYBMUJFWSA-N 1 3 278.440 3.500 20 0 CGADHO C[C@H](CCc1ccco1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000035112926 368998064 /nfs/dbraw/zinc/99/80/64/368998064.db2.gz JLVWVORGBCGZPS-CYBMUJFWSA-N 1 3 278.440 3.500 20 0 CGADHO C[NH+](C)CCCCNCc1cccc(Cl)c1Cl ZINC000045598335 369281720 /nfs/dbraw/zinc/28/17/20/369281720.db2.gz OQSUSNPFFWNKGO-UHFFFAOYSA-N 1 3 275.223 3.425 20 0 CGADHO CC[N@@H+]1CC[C@H](CNCc2csc3ccccc23)C1 ZINC000048326934 369341151 /nfs/dbraw/zinc/34/11/51/369341151.db2.gz UATSBQCAGXNXJM-CYBMUJFWSA-N 1 3 274.433 3.333 20 0 CGADHO CC[N@H+]1CC[C@H](CNCc2csc3ccccc23)C1 ZINC000048326934 369341156 /nfs/dbraw/zinc/34/11/56/369341156.db2.gz UATSBQCAGXNXJM-CYBMUJFWSA-N 1 3 274.433 3.333 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2csc3ccccc23)C1 ZINC000048326934 369341162 /nfs/dbraw/zinc/34/11/62/369341162.db2.gz UATSBQCAGXNXJM-CYBMUJFWSA-N 1 3 274.433 3.333 20 0 CGADHO C[NH2+]CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000051756285 369454870 /nfs/dbraw/zinc/45/48/70/369454870.db2.gz ZEWAJOXNEIHPQP-UHFFFAOYSA-N 1 3 286.341 3.137 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000070171872 369786898 /nfs/dbraw/zinc/78/68/98/369786898.db2.gz RHOAZGPWTACJCW-RDTXWAMCSA-N 1 3 268.404 3.399 20 0 CGADHO C[NH2+]CCC1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000070189813 369789021 /nfs/dbraw/zinc/78/90/21/369789021.db2.gz WKCGBKUGWXOEHG-UHFFFAOYSA-N 1 3 296.842 3.040 20 0 CGADHO CCC1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000090219609 370058747 /nfs/dbraw/zinc/05/87/47/370058747.db2.gz FVHUXKHEENYQSI-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO c1cc2c(cccc2C[N@H+]2CC[C@@H](CN3CCCC3)C2)[nH]1 ZINC000093604583 370146251 /nfs/dbraw/zinc/14/62/51/370146251.db2.gz GCZAPHAHZNZONE-HNNXBMFYSA-N 1 3 283.419 3.086 20 0 CGADHO c1cc2c(cccc2C[N@@H+]2CC[C@@H](CN3CCCC3)C2)[nH]1 ZINC000093604583 370146256 /nfs/dbraw/zinc/14/62/56/370146256.db2.gz GCZAPHAHZNZONE-HNNXBMFYSA-N 1 3 283.419 3.086 20 0 CGADHO Cc1ccccc1OCCCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842822 370627926 /nfs/dbraw/zinc/62/79/26/370627926.db2.gz XNGPFOWGCQTWFX-KRWDZBQOSA-N 1 3 290.451 3.038 20 0 CGADHO Cc1ccccc1OCCCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842822 370627929 /nfs/dbraw/zinc/62/79/29/370627929.db2.gz XNGPFOWGCQTWFX-KRWDZBQOSA-N 1 3 290.451 3.038 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000132229067 371159195 /nfs/dbraw/zinc/15/91/95/371159195.db2.gz HCZZDDZMSMVNOU-ZFWWWQNUSA-N 1 3 284.403 3.018 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCS2)c2ccccc21 ZINC000132186543 371158274 /nfs/dbraw/zinc/15/82/74/371158274.db2.gz LZEAQWIHYRQESP-GLQYFDAESA-N 1 3 262.422 3.007 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1csc2ccccc12 ZINC000134409667 371333316 /nfs/dbraw/zinc/33/33/16/371333316.db2.gz FNUKAPAAFMPKKH-WFASDCNBSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1csc2ccccc12 ZINC000134409667 371333321 /nfs/dbraw/zinc/33/33/21/371333321.db2.gz FNUKAPAAFMPKKH-WFASDCNBSA-N 1 3 274.433 3.331 20 0 CGADHO c1ccc2c(c1)OCC[C@H]2C[NH2+]CCCN1CCCCC1 ZINC000135425091 371424636 /nfs/dbraw/zinc/42/46/36/371424636.db2.gz TUVXOMXVHLYDJY-INIZCTEOSA-N 1 3 288.435 3.018 20 0 CGADHO c1ccc2c(c1)OCC[C@H]2CNCCC[NH+]1CCCCC1 ZINC000135425091 371424641 /nfs/dbraw/zinc/42/46/41/371424641.db2.gz TUVXOMXVHLYDJY-INIZCTEOSA-N 1 3 288.435 3.018 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCc3c2cccc3C)C1 ZINC000151100847 371568818 /nfs/dbraw/zinc/56/88/18/371568818.db2.gz OBSXQSPEEMBDOA-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCc3c2cccc3C)C1 ZINC000151100847 371568824 /nfs/dbraw/zinc/56/88/24/371568824.db2.gz OBSXQSPEEMBDOA-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000151100847 371568835 /nfs/dbraw/zinc/56/88/35/371568835.db2.gz OBSXQSPEEMBDOA-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO COC1([C@H](C)[NH2+]CC(C)(C)CN2CCCC2)CCCC1 ZINC000421842455 371665185 /nfs/dbraw/zinc/66/51/85/371665185.db2.gz NWOKGDHMKZTAQQ-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO COC1([C@H](C)NCC(C)(C)C[NH+]2CCCC2)CCCC1 ZINC000421842455 371665192 /nfs/dbraw/zinc/66/51/92/371665192.db2.gz NWOKGDHMKZTAQQ-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)CCCC1 ZINC000421824432 371646950 /nfs/dbraw/zinc/64/69/50/371646950.db2.gz IPIAPZXMNPKAAW-JKSUJKDBSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1cc(F)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000152675111 371713686 /nfs/dbraw/zinc/71/36/86/371713686.db2.gz XXXQZRIYGGZCNR-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ccncc1Cl ZINC000421860984 371682728 /nfs/dbraw/zinc/68/27/28/371682728.db2.gz UVNUORPAVFFGBD-GFCCVEGCSA-N 1 3 281.831 3.260 20 0 CGADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccncc1Cl ZINC000421860984 371682733 /nfs/dbraw/zinc/68/27/33/371682733.db2.gz UVNUORPAVFFGBD-GFCCVEGCSA-N 1 3 281.831 3.260 20 0 CGADHO c1cc2c(o1)CCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000152240485 371684295 /nfs/dbraw/zinc/68/42/95/371684295.db2.gz YWWFPZWUNPONNX-MRXNPFEDSA-N 1 3 274.408 3.121 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1C[C@H]1CCCNC1 ZINC000422560760 371750604 /nfs/dbraw/zinc/75/06/04/371750604.db2.gz YWOABTCGCVVDHN-DOTOQJQBSA-N 1 3 272.436 3.254 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@H]1CCCNC1 ZINC000422560760 371750609 /nfs/dbraw/zinc/75/06/09/371750609.db2.gz YWOABTCGCVVDHN-DOTOQJQBSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703718 371759978 /nfs/dbraw/zinc/75/99/78/371759978.db2.gz NWOSZXNCMIKQRN-WMZOPIPTSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000422708918 371762293 /nfs/dbraw/zinc/76/22/93/371762293.db2.gz CIYRGFNJNLKPMM-ZNMIVQPWSA-N 1 3 262.441 3.458 20 0 CGADHO CC[C@@H](N[C@H](CCC[NH3+])COC)c1ccc(Cl)s1 ZINC000422733157 371772303 /nfs/dbraw/zinc/77/23/03/371772303.db2.gz QRJYRCUVIVOULF-GHMZBOCLSA-N 1 3 290.860 3.196 20 0 CGADHO CC[C@H](N[C@@H](CCC[NH3+])COC)c1ccc(Cl)s1 ZINC000422733159 371773310 /nfs/dbraw/zinc/77/33/10/371773310.db2.gz QRJYRCUVIVOULF-QWRGUYRKSA-N 1 3 290.860 3.196 20 0 CGADHO Clc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422737366 371776645 /nfs/dbraw/zinc/77/66/45/371776645.db2.gz XMSDUJRMXDYBOX-PBWFPOADSA-N 1 3 299.245 3.409 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1nc(C(C)(C)C)cs1 ZINC000422739507 371776767 /nfs/dbraw/zinc/77/67/67/371776767.db2.gz LOCVOFYALHVZJF-NSHDSACASA-N 1 3 269.458 3.048 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1nc(C(C)(C)C)cs1 ZINC000422739505 371777016 /nfs/dbraw/zinc/77/70/16/371777016.db2.gz LOCVOFYALHVZJF-LLVKDONJSA-N 1 3 269.458 3.048 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422757559 371787490 /nfs/dbraw/zinc/78/74/90/371787490.db2.gz JQLUVSZOXIATCI-XJKSGUPXSA-N 1 3 296.455 3.286 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337333500 214012927 /nfs/dbraw/zinc/01/29/27/214012927.db2.gz JSVXJKMLDBXPOR-SOLBZPMBSA-N 1 3 287.451 3.039 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422760759 371790421 /nfs/dbraw/zinc/79/04/21/371790421.db2.gz HDNDGDBBXQLPEE-DLBZAZTESA-N 1 3 292.492 3.478 20 0 CGADHO Cc1ccc([C@H](C)C[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000422759910 371790709 /nfs/dbraw/zinc/79/07/09/371790709.db2.gz KNFGGXGAXFVAEX-ZMSDIMECSA-N 1 3 260.425 3.076 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCNCC1 ZINC000422820166 371829153 /nfs/dbraw/zinc/82/91/53/371829153.db2.gz PFQKLTOGWGUPMF-FRRDWIJNSA-N 1 3 278.362 3.087 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775958 371798883 /nfs/dbraw/zinc/79/88/83/371798883.db2.gz CRMAWECRQSYSHF-MELADBBJSA-N 1 3 295.858 3.024 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422775806 371799190 /nfs/dbraw/zinc/79/91/90/371799190.db2.gz CKKRMGRZEGOADX-OTWHNJEPSA-N 1 3 286.463 3.356 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422786902 371809305 /nfs/dbraw/zinc/80/93/05/371809305.db2.gz TWYALMOZFDTZGV-OLMNPRSZSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422786902 371809310 /nfs/dbraw/zinc/80/93/10/371809310.db2.gz TWYALMOZFDTZGV-OLMNPRSZSA-N 1 3 288.435 3.180 20 0 CGADHO CCN(CCC[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000422790332 371810838 /nfs/dbraw/zinc/81/08/38/371810838.db2.gz TUNXVABYOCQICE-FUHWJXTLSA-N 1 3 289.467 3.010 20 0 CGADHO CCO[C@H](CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000422803063 371818660 /nfs/dbraw/zinc/81/86/60/371818660.db2.gz CJMQHLUIODZNFR-IXDOHACOSA-N 1 3 284.488 3.338 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1ccccc1 ZINC000422813034 371824368 /nfs/dbraw/zinc/82/43/68/371824368.db2.gz RHZZHYKETDWJSU-ULQDDVLXSA-N 1 3 260.425 3.143 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422812857 371824943 /nfs/dbraw/zinc/82/49/43/371824943.db2.gz RCDSTIJGZFATOS-AEFFLSMTSA-N 1 3 286.463 3.476 20 0 CGADHO COc1cc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])ccc1OC(C)C ZINC000422814929 371826850 /nfs/dbraw/zinc/82/68/50/371826850.db2.gz WLQTZKYFSUMDET-MJBXVCDLSA-N 1 3 294.439 3.259 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000422865534 371844608 /nfs/dbraw/zinc/84/46/08/371844608.db2.gz YKKRKHNVGMPRMY-WFASDCNBSA-N 1 3 263.429 3.324 20 0 CGADHO CC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000422865531 371845269 /nfs/dbraw/zinc/84/52/69/371845269.db2.gz YKKRKHNVGMPRMY-DOMZBBRYSA-N 1 3 263.429 3.324 20 0 CGADHO CCCCC1CCC(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000422946085 371885104 /nfs/dbraw/zinc/88/51/04/371885104.db2.gz OHZUONZXUWZIST-WLYUNCDWSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCCOc1ccc2ccccc2c1 ZINC000422884919 371853029 /nfs/dbraw/zinc/85/30/29/371853029.db2.gz FXXQKDLQPSGOPJ-LSDHHAIUSA-N 1 3 286.419 3.324 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422884919 371853035 /nfs/dbraw/zinc/85/30/35/371853035.db2.gz FXXQKDLQPSGOPJ-LSDHHAIUSA-N 1 3 286.419 3.324 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(OCc2ccccc2)c1 ZINC000422894111 371856778 /nfs/dbraw/zinc/85/67/78/371856778.db2.gz SAVUABFMSRIWOJ-JKSUJKDBSA-N 1 3 298.430 3.481 20 0 CGADHO CC(C)c1nc([C@@H](C)NC2CCC([NH3+])CC2)cs1 ZINC000422914709 371866542 /nfs/dbraw/zinc/86/65/42/371866542.db2.gz VPCMPOVSHKVQTJ-VOMCLLRMSA-N 1 3 267.442 3.187 20 0 CGADHO CC(C)[C@@H]1OCCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422919769 371869902 /nfs/dbraw/zinc/86/99/02/371869902.db2.gz KPBGMXOBYDHVRD-QCSYZSNVSA-N 1 3 288.435 3.172 20 0 CGADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1C ZINC000422923282 371874439 /nfs/dbraw/zinc/87/44/39/371874439.db2.gz VTVDGTNFKKZEBF-USXIJHARSA-N 1 3 290.451 3.130 20 0 CGADHO Clc1cccc(CCN[C@@H]2CCC[NH2+]CC2)c1Cl ZINC000422941611 371883269 /nfs/dbraw/zinc/88/32/69/371883269.db2.gz JRPVNAYBVCXQAC-GFCCVEGCSA-N 1 3 287.234 3.268 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422941286 371883338 /nfs/dbraw/zinc/88/33/38/371883338.db2.gz UXSPFPWRWGRSHM-SWLSCSKDSA-N 1 3 274.433 3.161 20 0 CGADHO CSCc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423060671 371940516 /nfs/dbraw/zinc/94/05/16/371940516.db2.gz OXICFBBYETZTSA-HZPDHXFCSA-N 1 3 278.465 3.157 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950901 371888339 /nfs/dbraw/zinc/88/83/39/371888339.db2.gz WZWQIEXWMFQFPS-DGCLKSJQSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1cccc(Cl)c1Cl ZINC000422950901 371888343 /nfs/dbraw/zinc/88/83/43/371888343.db2.gz WZWQIEXWMFQFPS-DGCLKSJQSA-N 1 3 287.234 3.253 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950903 371889162 /nfs/dbraw/zinc/88/91/62/371889162.db2.gz WZWQIEXWMFQFPS-YPMHNXCESA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1cccc(Cl)c1Cl ZINC000422950903 371889164 /nfs/dbraw/zinc/88/91/64/371889164.db2.gz WZWQIEXWMFQFPS-YPMHNXCESA-N 1 3 287.234 3.253 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(c2ccccc2)C1 ZINC000422966609 371894547 /nfs/dbraw/zinc/89/45/47/371894547.db2.gz NWBMFSNRMXORJB-FFZSDIPESA-N 1 3 294.442 3.481 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422984975 371900958 /nfs/dbraw/zinc/90/09/58/371900958.db2.gz ZTTQAGPOGBCVTO-IPMKNSEASA-N 1 3 286.463 3.438 20 0 CGADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)cc1 ZINC000422984975 371900964 /nfs/dbraw/zinc/90/09/64/371900964.db2.gz ZTTQAGPOGBCVTO-IPMKNSEASA-N 1 3 286.463 3.438 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000422987806 371904082 /nfs/dbraw/zinc/90/40/82/371904082.db2.gz JGJNBMXUVWBKKJ-QZWWFDLISA-N 1 3 282.472 3.090 20 0 CGADHO C[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C1CNC1 ZINC000422994994 371905631 /nfs/dbraw/zinc/90/56/31/371905631.db2.gz WTBGCCVBYVORTA-NNGSBXSVSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)N[C@@H](C)C1C[NH2+]C1 ZINC000423009274 371914490 /nfs/dbraw/zinc/91/44/90/371914490.db2.gz CKZHMGDONKTCJH-ZJUUUORDSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)C1CNC1 ZINC000423009274 371914499 /nfs/dbraw/zinc/91/44/99/371914499.db2.gz CKZHMGDONKTCJH-ZJUUUORDSA-N 1 3 287.234 3.122 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024139 371919863 /nfs/dbraw/zinc/91/98/63/371919863.db2.gz LBNBSDIJCDIJLS-WFASDCNBSA-N 1 3 278.827 3.089 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423024139 371919869 /nfs/dbraw/zinc/91/98/69/371919869.db2.gz LBNBSDIJCDIJLS-WFASDCNBSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423038546 371928371 /nfs/dbraw/zinc/92/83/71/371928371.db2.gz CZXSXXIOURLZIJ-SDDRHHMPSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C[C@H](C)N ZINC000423038546 371928373 /nfs/dbraw/zinc/92/83/73/371928373.db2.gz CZXSXXIOURLZIJ-SDDRHHMPSA-N 1 3 288.357 3.352 20 0 CGADHO CSCCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000423047603 371933612 /nfs/dbraw/zinc/93/36/12/371933612.db2.gz GVBFHLCACZREOC-GFCCVEGCSA-N 1 3 281.469 3.033 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423050599 371933864 /nfs/dbraw/zinc/93/38/64/371933864.db2.gz MOHIOLCYRAXHLR-RPVQJOFSSA-N 1 3 272.436 3.144 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000423050599 371933879 /nfs/dbraw/zinc/93/38/79/371933879.db2.gz MOHIOLCYRAXHLR-RPVQJOFSSA-N 1 3 272.436 3.144 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423099847 371963742 /nfs/dbraw/zinc/96/37/42/371963742.db2.gz UJTGUKSQQXRDOV-RRCSTGOVSA-N 1 3 278.827 3.303 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423105229 371967753 /nfs/dbraw/zinc/96/77/53/371967753.db2.gz YRKNLGRMSITJKO-WZWWUGBPSA-N 1 3 284.806 3.383 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423110270 371973129 /nfs/dbraw/zinc/97/31/29/371973129.db2.gz VKXIVOSQTVXQLU-NEQJSVFRSA-N 1 3 296.817 3.442 20 0 CGADHO c1cc2c(cccc2CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000423116346 371974837 /nfs/dbraw/zinc/97/48/37/371974837.db2.gz PMQNQPUWWKKMSU-QXAKKESOSA-N 1 3 297.446 3.221 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122412 371977362 /nfs/dbraw/zinc/97/73/62/371977362.db2.gz KPUSOMDRFRECSP-XDNAFOTISA-N 1 3 288.435 3.156 20 0 CGADHO CCSc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000423126359 371977978 /nfs/dbraw/zinc/97/79/78/371977978.db2.gz IRIWGGLQDNGYPM-NWDGAFQWSA-N 1 3 252.427 3.014 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000423172648 372002292 /nfs/dbraw/zinc/00/22/92/372002292.db2.gz UOLYTHCVMRQVAN-PKSQDBQZSA-N 1 3 297.393 3.323 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423128398 371980802 /nfs/dbraw/zinc/98/08/02/371980802.db2.gz CVQQLGGFWKPWFV-KDQUWOQTSA-N 1 3 264.457 3.321 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc(C)c1O ZINC000290393982 371981225 /nfs/dbraw/zinc/98/12/25/371981225.db2.gz OVLMRNODRMHJIE-INIZCTEOSA-N 1 3 290.451 3.219 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000423133866 371985466 /nfs/dbraw/zinc/98/54/66/371985466.db2.gz LCOMCAWNCZNRJX-DOMZBBRYSA-N 1 3 282.378 3.276 20 0 CGADHO C[C@H](NC1(Cc2ccc(Cl)cc2)CCC1)C1C[NH2+]C1 ZINC000423138889 371986980 /nfs/dbraw/zinc/98/69/80/371986980.db2.gz YOABBEUSZZRQLS-LBPRGKRZSA-N 1 3 278.827 3.003 20 0 CGADHO C[C@H]([NH2+]C1(Cc2ccc(Cl)cc2)CCC1)C1CNC1 ZINC000423138889 371986985 /nfs/dbraw/zinc/98/69/85/371986985.db2.gz YOABBEUSZZRQLS-LBPRGKRZSA-N 1 3 278.827 3.003 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290432359 371987923 /nfs/dbraw/zinc/98/79/23/371987923.db2.gz LHJKCPCQYAVDQS-FUHWJXTLSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290432359 371987926 /nfs/dbraw/zinc/98/79/26/371987926.db2.gz LHJKCPCQYAVDQS-FUHWJXTLSA-N 1 3 288.435 3.001 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000423145417 371990317 /nfs/dbraw/zinc/99/03/17/371990317.db2.gz KPKSPJZYTVKJJJ-DGCLKSJQSA-N 1 3 297.393 3.325 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)CC1CCOCC1 ZINC000423146799 371990709 /nfs/dbraw/zinc/99/07/09/371990709.db2.gz QKVPURRZHBANDX-KSZLIROESA-N 1 3 294.483 3.094 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3CN)CC2)c(C)c1 ZINC000423144697 371991103 /nfs/dbraw/zinc/99/11/03/371991103.db2.gz HRLCEOWFPPSRSK-WBVHZDCISA-N 1 3 272.436 3.052 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3CN)CC2)c(C)c1 ZINC000423144694 371991234 /nfs/dbraw/zinc/99/12/34/371991234.db2.gz HRLCEOWFPPSRSK-DOTOQJQBSA-N 1 3 272.436 3.052 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCC2CC(F)(F)C2)c2ccccc21 ZINC000423159824 371996190 /nfs/dbraw/zinc/99/61/90/371996190.db2.gz GQFNMTSWDIUMJV-ZIAGYGMSSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423168228 371999434 /nfs/dbraw/zinc/99/94/34/371999434.db2.gz XVSWDESDSZLEII-QWHCGFSZSA-N 1 3 296.405 3.345 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000423168486 371999580 /nfs/dbraw/zinc/99/95/80/371999580.db2.gz YBFUJKJTQSXHEV-STQMWFEESA-N 1 3 296.405 3.345 20 0 CGADHO c1cnc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000423089608 371956615 /nfs/dbraw/zinc/95/66/15/371956615.db2.gz VQHFDDHYLAAHDM-QXAKKESOSA-N 1 3 295.430 3.245 20 0 CGADHO Cc1cc(OCCC[C@@H](C)[NH2+]CCCN)ccc1Cl ZINC000423193965 372019333 /nfs/dbraw/zinc/01/93/33/372019333.db2.gz REHXEOJJBINJEG-CYBMUJFWSA-N 1 3 284.831 3.134 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423198687 372023824 /nfs/dbraw/zinc/02/38/24/372023824.db2.gz HFRAAZFIPLSSSD-WBVHZDCISA-N 1 3 290.451 3.404 20 0 CGADHO Fc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157588573 372028278 /nfs/dbraw/zinc/02/82/78/372028278.db2.gz QIVKZTRLOJDDSY-XYQBIQKZSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000157588573 372028291 /nfs/dbraw/zinc/02/82/91/372028291.db2.gz QIVKZTRLOJDDSY-XYQBIQKZSA-N 1 3 288.410 3.288 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423348509 372054038 /nfs/dbraw/zinc/05/40/38/372054038.db2.gz UCGLKNDUGTXQNT-QZTJIDSGSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CC[NH2+]C[C@H]2C)C2CCC2)cc1 ZINC000423406796 372061977 /nfs/dbraw/zinc/06/19/77/372061977.db2.gz VANBMPRIIPPVGK-ZTFGCOKTSA-N 1 3 272.436 3.424 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@@H]2CCNC[C@H]2C)C2CCC2)cc1 ZINC000423406796 372061985 /nfs/dbraw/zinc/06/19/85/372061985.db2.gz VANBMPRIIPPVGK-ZTFGCOKTSA-N 1 3 272.436 3.424 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCCCC3)CCN1 ZINC000423389449 372057499 /nfs/dbraw/zinc/05/74/99/372057499.db2.gz VAKZFNYCTOQSLS-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCNCC1 ZINC000423176049 372003752 /nfs/dbraw/zinc/00/37/52/372003752.db2.gz BSCFBUZJTVCAOF-INIZCTEOSA-N 1 3 278.465 3.145 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)NC1CC[NH2+]CC1 ZINC000423176049 372003757 /nfs/dbraw/zinc/00/37/57/372003757.db2.gz BSCFBUZJTVCAOF-INIZCTEOSA-N 1 3 278.465 3.145 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CC23CCSCC3)c2ccccc21 ZINC000423561329 372074157 /nfs/dbraw/zinc/07/41/57/372074157.db2.gz VUHXVQNUYQSNOD-WQVCFCJDSA-N 1 3 288.460 3.254 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000424374420 372085779 /nfs/dbraw/zinc/08/57/79/372085779.db2.gz LAFIIVJBKWTMBV-BZUAXINKSA-N 1 3 262.372 3.063 20 0 CGADHO C[C@@](C[NH3+])(NCc1cccc2ccccc21)C1CC1 ZINC000430585485 372390428 /nfs/dbraw/zinc/39/04/28/372390428.db2.gz WWXVCBKSYWIMDX-KRWDZBQOSA-N 1 3 254.377 3.057 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163488106 372472894 /nfs/dbraw/zinc/47/28/94/372472894.db2.gz IRQKKVZLXMBCDP-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000163488106 372472896 /nfs/dbraw/zinc/47/28/96/372472896.db2.gz IRQKKVZLXMBCDP-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO CCCN(CCCOc1ccccc1C)C1CC[NH2+]CC1 ZINC000431087080 372425994 /nfs/dbraw/zinc/42/59/94/372425994.db2.gz PCYBWOPNLNJWNV-UHFFFAOYSA-N 1 3 290.451 3.228 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Cl)cc1 ZINC000166036326 372562307 /nfs/dbraw/zinc/56/23/07/372562307.db2.gz STUZQWPXQIOAGO-CZUORRHYSA-N 1 3 298.858 3.347 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515364 372577193 /nfs/dbraw/zinc/57/71/93/372577193.db2.gz MIMADFPLIBCCIL-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515364 372577195 /nfs/dbraw/zinc/57/71/95/372577195.db2.gz MIMADFPLIBCCIL-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(-c3ccncc3)c2)CC[N@@H+]1C ZINC000344613133 217250324 /nfs/dbraw/zinc/25/03/24/217250324.db2.gz FCFKHSBLZIDDTL-HNAYVOBHSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(-c3ccncc3)c2)CC[N@H+]1C ZINC000344613133 217250326 /nfs/dbraw/zinc/25/03/26/217250326.db2.gz FCFKHSBLZIDDTL-HNAYVOBHSA-N 1 3 295.430 3.321 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000437108076 372844967 /nfs/dbraw/zinc/84/49/67/372844967.db2.gz MCKMMBZYEQVBNU-UPJWGTAASA-N 1 3 278.362 3.180 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000437108076 372844974 /nfs/dbraw/zinc/84/49/74/372844974.db2.gz MCKMMBZYEQVBNU-UPJWGTAASA-N 1 3 278.362 3.180 20 0 CGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccsc1 ZINC000061361118 541884922 /nfs/dbraw/zinc/88/49/22/541884922.db2.gz JZVOIQOAHREPSQ-CYBMUJFWSA-N 1 3 287.432 3.463 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296052811 373005824 /nfs/dbraw/zinc/00/58/24/373005824.db2.gz VHSZCNXBUFSJJV-WUSVYZNTSA-N 1 3 270.420 3.135 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052811 373005828 /nfs/dbraw/zinc/00/58/28/373005828.db2.gz VHSZCNXBUFSJJV-WUSVYZNTSA-N 1 3 270.420 3.135 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296052814 373006563 /nfs/dbraw/zinc/00/65/63/373006563.db2.gz VHSZCNXBUFSJJV-XLOFPCCBSA-N 1 3 270.420 3.135 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296052814 373006567 /nfs/dbraw/zinc/00/65/67/373006567.db2.gz VHSZCNXBUFSJJV-XLOFPCCBSA-N 1 3 270.420 3.135 20 0 CGADHO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cs1 ZINC000296109616 373025772 /nfs/dbraw/zinc/02/57/72/373025772.db2.gz SIXIEXMFRAVGQZ-YIONKMFJSA-N 1 3 264.438 3.114 20 0 CGADHO Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cs1 ZINC000296109616 373025778 /nfs/dbraw/zinc/02/57/78/373025778.db2.gz SIXIEXMFRAVGQZ-YIONKMFJSA-N 1 3 264.438 3.114 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCOc1cccc2ccccc21 ZINC000442766994 373075486 /nfs/dbraw/zinc/07/54/86/373075486.db2.gz PNJMNZWMBGKIFE-CVEARBPZSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCOc1cccc2ccccc21 ZINC000442766994 373075493 /nfs/dbraw/zinc/07/54/93/373075493.db2.gz PNJMNZWMBGKIFE-CVEARBPZSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442766994 373075504 /nfs/dbraw/zinc/07/55/04/373075504.db2.gz PNJMNZWMBGKIFE-CVEARBPZSA-N 1 3 298.430 3.278 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C)cc2C)C1 ZINC000173908217 373213955 /nfs/dbraw/zinc/21/39/55/373213955.db2.gz BQLFUGJGUMAMNJ-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C)cc2C)C1 ZINC000173908217 373213964 /nfs/dbraw/zinc/21/39/64/373213964.db2.gz BQLFUGJGUMAMNJ-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908217 373213970 /nfs/dbraw/zinc/21/39/70/373213970.db2.gz BQLFUGJGUMAMNJ-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000173908217 373213982 /nfs/dbraw/zinc/21/39/82/373213982.db2.gz BQLFUGJGUMAMNJ-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO Cc1cc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC000296557786 373175462 /nfs/dbraw/zinc/17/54/62/373175462.db2.gz UCJWONDRFKATTP-HIFRSBDPSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1cc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC000296557786 373175470 /nfs/dbraw/zinc/17/54/70/373175470.db2.gz UCJWONDRFKATTP-HIFRSBDPSA-N 1 3 296.480 3.208 20 0 CGADHO C[C@@H](CC[N@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000300279516 373624076 /nfs/dbraw/zinc/62/40/76/373624076.db2.gz KFKBICDWYAVUGA-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO C[C@@H](CC[N@@H+](C)[C@H]1CCCNCC1)c1ccccc1 ZINC000300279516 373624080 /nfs/dbraw/zinc/62/40/80/373624080.db2.gz KFKBICDWYAVUGA-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO C[C@@H](CCN(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000300279516 373624083 /nfs/dbraw/zinc/62/40/83/373624083.db2.gz KFKBICDWYAVUGA-RDJZCZTQSA-N 1 3 260.425 3.254 20 0 CGADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000300688148 373637413 /nfs/dbraw/zinc/63/74/13/373637413.db2.gz PTRUBLHTLWHOOD-BRWVUGGUSA-N 1 3 282.472 3.092 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC000449351458 373683342 /nfs/dbraw/zinc/68/33/42/373683342.db2.gz POWJKLCMIPETEU-QGZVFWFLSA-N 1 3 276.399 3.277 20 0 CGADHO C[C@H](CCCCO)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449427794 373703938 /nfs/dbraw/zinc/70/39/38/373703938.db2.gz PHOTYJMEWRNFPA-JZXOWHBKSA-N 1 3 296.499 3.170 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000178412930 373774131 /nfs/dbraw/zinc/77/41/31/373774131.db2.gz TVOWURWQQFSYJO-HNNXBMFYSA-N 1 3 276.424 3.222 20 0 CGADHO Cc1csc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000449472453 373757504 /nfs/dbraw/zinc/75/75/04/373757504.db2.gz AIDPVRADXFXVDP-UHFFFAOYSA-N 1 3 266.454 3.409 20 0 CGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccoc2)[C@H](C)C1 ZINC000178333393 373767703 /nfs/dbraw/zinc/76/77/03/373767703.db2.gz XSCWMGOCMFYXLQ-VYDXJSESSA-N 1 3 294.439 3.067 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000179448952 373874982 /nfs/dbraw/zinc/87/49/82/373874982.db2.gz SQMYGQXIPSQDMI-DOMZBBRYSA-N 1 3 266.816 3.475 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)C1=CCCC1 ZINC000308768448 374179564 /nfs/dbraw/zinc/17/95/64/374179564.db2.gz YGLLEXVGRINZRK-ZFWWWQNUSA-N 1 3 250.430 3.230 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)CN(C)C ZINC000310228228 374210836 /nfs/dbraw/zinc/21/08/36/374210836.db2.gz IWLMWJFOMGWYCJ-SNVBAGLBSA-N 1 3 275.223 3.281 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)CN(C)C ZINC000310916529 374229176 /nfs/dbraw/zinc/22/91/76/374229176.db2.gz ZFXBLSOWQRVTLF-MNOVXSKESA-N 1 3 272.795 3.327 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000314694313 374321509 /nfs/dbraw/zinc/32/15/09/374321509.db2.gz XJMAOVXVFYXRFO-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2ccncc2)CC1 ZINC000182783682 374326148 /nfs/dbraw/zinc/32/61/48/374326148.db2.gz AHDDDWOGJMVYOY-UHFFFAOYSA-N 1 3 289.467 3.416 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000183339887 374404277 /nfs/dbraw/zinc/40/42/77/374404277.db2.gz XXMIPRVDUDFGRZ-ZOBUZTSGSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC(C)(C)OC1(C)C)N1CCCCC1 ZINC000184508828 374534271 /nfs/dbraw/zinc/53/42/71/374534271.db2.gz YFPULQZPXPQSPL-CABCVRRESA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](CCN[C@H]1CC(C)(C)OC1(C)C)[NH+]1CCCCC1 ZINC000184508828 374534276 /nfs/dbraw/zinc/53/42/76/374534276.db2.gz YFPULQZPXPQSPL-CABCVRRESA-N 1 3 282.472 3.187 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000331835649 374548469 /nfs/dbraw/zinc/54/84/69/374548469.db2.gz RUNPFULTTLTKEG-YRGRVCCFSA-N 1 3 262.397 3.153 20 0 CGADHO CC(C)OCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185666635 374707735 /nfs/dbraw/zinc/70/77/35/374707735.db2.gz XRSCQMAQZAZVNB-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000186321513 374831903 /nfs/dbraw/zinc/83/19/03/374831903.db2.gz VFDJDHGWPARZGL-GOEBONIOSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC1 ZINC000094874473 541989842 /nfs/dbraw/zinc/98/98/42/541989842.db2.gz QFDJJUIBTMIOSZ-LSDHHAIUSA-N 1 3 252.446 3.452 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1 ZINC000474107480 375082033 /nfs/dbraw/zinc/08/20/33/375082033.db2.gz YAVCFTJVNILEOW-CRAIPNDOSA-N 1 3 290.451 3.214 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000474107480 375082042 /nfs/dbraw/zinc/08/20/42/375082042.db2.gz YAVCFTJVNILEOW-CRAIPNDOSA-N 1 3 290.451 3.214 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCCC23CCC3)cc2c1CNC2 ZINC000335056870 375095481 /nfs/dbraw/zinc/09/54/81/375095481.db2.gz AJEQEFKRFGQVAR-MRXNPFEDSA-N 1 3 256.393 3.102 20 0 CGADHO CCSc1cc(C[NH2+]C2CCN(C(C)C)CC2)ccn1 ZINC000187793438 375097035 /nfs/dbraw/zinc/09/70/35/375097035.db2.gz CVPAQPYYRAXORZ-UHFFFAOYSA-N 1 3 293.480 3.156 20 0 CGADHO C[NH+](C)CC[C@@H](NC/C=C/c1ccncc1)C(C)(C)C ZINC000487283243 375219696 /nfs/dbraw/zinc/21/96/96/375219696.db2.gz WOXOZCXPIXDMPR-FYCOFBDGSA-N 1 3 275.440 3.051 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000488472695 375310071 /nfs/dbraw/zinc/31/00/71/375310071.db2.gz XMPUMQDEVQSHAD-CABCVRRESA-N 1 3 284.513 3.369 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)CN(C)C ZINC000491588933 375333490 /nfs/dbraw/zinc/33/34/90/375333490.db2.gz MTWFXHCWQYBSIT-BPQIPLTHSA-N 1 3 274.452 3.185 20 0 CGADHO Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000121045525 542015600 /nfs/dbraw/zinc/01/56/00/542015600.db2.gz PJDCYEWGTFYZDH-GTNSWQLSSA-N 1 3 292.373 3.026 20 0 CGADHO c1c2ccccc2[nH]c1C[NH2+]CCCN1CCCCC1 ZINC000124344410 542032218 /nfs/dbraw/zinc/03/22/18/542032218.db2.gz HZCCPRBAEQGNEC-UHFFFAOYSA-N 1 3 271.408 3.134 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335488224 299998452 /nfs/dbraw/zinc/99/84/52/299998452.db2.gz POLCDRQFBRGJCB-YWPUVAFDSA-N 1 3 278.362 3.085 20 0 CGADHO Cc1c[nH+]ccc1NCC1CCN(c2ccncc2)CC1 ZINC000192741034 375784954 /nfs/dbraw/zinc/78/49/54/375784954.db2.gz REHFZESKOQHRET-UHFFFAOYSA-N 1 3 282.391 3.114 20 0 CGADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ccccc1Br ZINC000336656489 375896909 /nfs/dbraw/zinc/89/69/09/375896909.db2.gz LIRGWVKJGCXKAV-WDEREUQCSA-N 1 3 285.229 3.227 20 0 CGADHO FCCCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000336657327 375897009 /nfs/dbraw/zinc/89/70/09/375897009.db2.gz QAICRMCYWPZYHG-OKZBNKHCSA-N 1 3 290.426 3.236 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@H](C)c2ccccc21)CN(C)C ZINC000336819234 375974611 /nfs/dbraw/zinc/97/46/11/375974611.db2.gz YZLRNNMBVQIJPZ-KEYYUXOJSA-N 1 3 260.425 3.412 20 0 CGADHO C[C@H](CN[C@H]1CC[C@H](C)c2ccccc21)C[NH+](C)C ZINC000336819234 375974617 /nfs/dbraw/zinc/97/46/17/375974617.db2.gz YZLRNNMBVQIJPZ-KEYYUXOJSA-N 1 3 260.425 3.412 20 0 CGADHO C[C@@H]([C@H](C)[NH2+]CC1=CCN(C)CC1)C1CCCCC1 ZINC000537306161 376162356 /nfs/dbraw/zinc/16/23/56/376162356.db2.gz CKFBNGRZLOMHHM-GJZGRUSLSA-N 1 3 264.457 3.443 20 0 CGADHO CC[NH+](CC)CCCN1CCCC2(CCCC2)C1 ZINC000338345834 376343295 /nfs/dbraw/zinc/34/32/95/376343295.db2.gz BGXYEIOTZFECQQ-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000338345834 376343299 /nfs/dbraw/zinc/34/32/99/376343299.db2.gz BGXYEIOTZFECQQ-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO CCN(CC)CCC[N@H+]1CCCC2(CCCC2)C1 ZINC000338345834 376343304 /nfs/dbraw/zinc/34/33/04/376343304.db2.gz BGXYEIOTZFECQQ-UHFFFAOYSA-N 1 3 252.446 3.375 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000539066725 376290181 /nfs/dbraw/zinc/29/01/81/376290181.db2.gz QFUUOYKFWDCOOB-WFASDCNBSA-N 1 3 278.465 3.057 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000539066725 376290185 /nfs/dbraw/zinc/29/01/85/376290185.db2.gz QFUUOYKFWDCOOB-WFASDCNBSA-N 1 3 278.465 3.057 20 0 CGADHO CCc1cnccc1[C@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000539294292 376301782 /nfs/dbraw/zinc/30/17/82/376301782.db2.gz ASCLSQRMWUJCNS-AWEZNQCLSA-N 1 3 287.451 3.169 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473187 376436208 /nfs/dbraw/zinc/43/62/08/376436208.db2.gz IETSKLZXCFPPBD-RKTXRCNFSA-N 1 3 276.399 3.336 20 0 CGADHO Cc1oc2ccccc2c1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229061412 376457442 /nfs/dbraw/zinc/45/74/42/376457442.db2.gz CSJIBBNSNCVVJZ-JSGCOSHPSA-N 1 3 272.392 3.158 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000542507953 376551473 /nfs/dbraw/zinc/55/14/73/376551473.db2.gz UVPIOBOIZVPLEI-JCYILVPMSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000542507953 376551476 /nfs/dbraw/zinc/55/14/76/376551476.db2.gz UVPIOBOIZVPLEI-JCYILVPMSA-N 1 3 266.473 3.476 20 0 CGADHO CCC1([NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000542840269 376586033 /nfs/dbraw/zinc/58/60/33/376586033.db2.gz JYRKFEJXEBWDJP-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1cccc(Cl)c1Cl ZINC000235208371 376633609 /nfs/dbraw/zinc/63/36/09/376633609.db2.gz HLXCUYWSNPMGTL-SECBINFHSA-N 1 3 261.196 3.383 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000339071125 376661172 /nfs/dbraw/zinc/66/11/72/376661172.db2.gz QRZDNOQANOXBHI-CWRNSKLLSA-N 1 3 276.424 3.126 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000339071125 376661178 /nfs/dbraw/zinc/66/11/78/376661178.db2.gz QRZDNOQANOXBHI-CWRNSKLLSA-N 1 3 276.424 3.126 20 0 CGADHO CC[C@H](NCCCCC[NH+]1CCCCC1)c1ccn(C)n1 ZINC000544567982 376745130 /nfs/dbraw/zinc/74/51/30/376745130.db2.gz KXNUKWSZCJBCGQ-INIZCTEOSA-N 1 3 292.471 3.117 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905919 542145683 /nfs/dbraw/zinc/14/56/83/542145683.db2.gz QZMCTNBWGRFUAL-SUMWQHHRSA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905919 542145688 /nfs/dbraw/zinc/14/56/88/542145688.db2.gz QZMCTNBWGRFUAL-SUMWQHHRSA-N 1 3 292.854 3.127 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000158905919 542145693 /nfs/dbraw/zinc/14/56/93/542145693.db2.gz QZMCTNBWGRFUAL-SUMWQHHRSA-N 1 3 292.854 3.127 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000545519930 376830597 /nfs/dbraw/zinc/83/05/97/376830597.db2.gz VCIWIZORWHTNMY-OWCLPIDISA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000545519930 376830605 /nfs/dbraw/zinc/83/06/05/376830605.db2.gz VCIWIZORWHTNMY-OWCLPIDISA-N 1 3 260.425 3.437 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000557904952 376963558 /nfs/dbraw/zinc/96/35/58/376963558.db2.gz KWPNVELAELQZJK-LSDHHAIUSA-N 1 3 278.415 3.249 20 0 CGADHO C[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)CN(C)C ZINC000559136294 377068497 /nfs/dbraw/zinc/06/84/97/377068497.db2.gz QQEBZTDWUWAMFA-RHSMWYFYSA-N 1 3 260.425 3.315 20 0 CGADHO C[C@H](CN[C@H](CC1CC1)c1ccccc1)C[NH+](C)C ZINC000559136294 377068502 /nfs/dbraw/zinc/06/85/02/377068502.db2.gz QQEBZTDWUWAMFA-RHSMWYFYSA-N 1 3 260.425 3.315 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586976 542159981 /nfs/dbraw/zinc/15/99/81/542159981.db2.gz ZYNUPYYLVXSLRX-OTWHNJEPSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586976 542159985 /nfs/dbraw/zinc/15/99/85/542159985.db2.gz ZYNUPYYLVXSLRX-OTWHNJEPSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000161586976 542159990 /nfs/dbraw/zinc/15/99/90/542159990.db2.gz ZYNUPYYLVXSLRX-OTWHNJEPSA-N 1 3 284.447 3.224 20 0 CGADHO C[NH+](C)CC1CCN(CCSc2ccccc2F)CC1 ZINC000341168169 377428245 /nfs/dbraw/zinc/42/82/45/377428245.db2.gz FHMWJQXIRSVUMO-UHFFFAOYSA-N 1 3 296.455 3.191 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1(C)C ZINC000248770558 377399856 /nfs/dbraw/zinc/39/98/56/377399856.db2.gz HFJYNRUMUVWZHW-XUWVNRHRSA-N 1 3 282.472 3.041 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649244 249002309 /nfs/dbraw/zinc/00/23/09/249002309.db2.gz JWTTZLZLOIUCMP-RDTXWAMCSA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000037649244 249002311 /nfs/dbraw/zinc/00/23/11/249002311.db2.gz JWTTZLZLOIUCMP-RDTXWAMCSA-N 1 3 288.435 3.220 20 0 CGADHO Cc1cccc(C2(CN[C@@H]3CCC[C@@H]3[NH3+])CCCC2)c1 ZINC000422909174 249127385 /nfs/dbraw/zinc/12/73/85/249127385.db2.gz NNZDMAGZOIDORN-DLBZAZTESA-N 1 3 272.436 3.276 20 0 CGADHO CCOc1ccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422904946 249127517 /nfs/dbraw/zinc/12/75/17/249127517.db2.gz RCNKWZGRGBNJKV-ZDUSSCGKSA-N 1 3 299.418 3.098 20 0 CGADHO Fc1ccc([C@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414903576 249124393 /nfs/dbraw/zinc/12/43/93/249124393.db2.gz KCUMCGDUOQGIAK-BRWVUGGUSA-N 1 3 276.399 3.194 20 0 CGADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000250673526 377564758 /nfs/dbraw/zinc/56/47/58/377564758.db2.gz VWWYOBPQKZLHPE-TWMKSMIVSA-N 1 3 262.441 3.172 20 0 CGADHO CCC[C@H](CN1CC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470021235 249165654 /nfs/dbraw/zinc/16/56/54/249165654.db2.gz SOQAPZQPUANADW-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@H](CNC)C1)c1ccccc1 ZINC000470021235 249165657 /nfs/dbraw/zinc/16/56/57/249165657.db2.gz SOQAPZQPUANADW-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@H](CNC)C1)c1ccccc1 ZINC000470021235 249165660 /nfs/dbraw/zinc/16/56/60/249165660.db2.gz SOQAPZQPUANADW-NVXWUHKLSA-N 1 3 260.425 3.112 20 0 CGADHO c1ccc([C@H](CC2CC2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000514854732 249191356 /nfs/dbraw/zinc/19/13/56/249191356.db2.gz GQQPSRFFCDALSD-RDJZCZTQSA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc([C@H](CC2CC2)[NH2+]C[C@H]2CCCNC2)cc1 ZINC000514854732 249191358 /nfs/dbraw/zinc/19/13/58/249191358.db2.gz GQQPSRFFCDALSD-RDJZCZTQSA-N 1 3 258.409 3.117 20 0 CGADHO CCC1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000251650558 377592123 /nfs/dbraw/zinc/59/21/23/377592123.db2.gz NJJKBNRWZKDJIR-BACDZXNISA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CN(Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251911014 377605686 /nfs/dbraw/zinc/60/56/86/377605686.db2.gz XEKIYBROZADAQJ-CXAGYDPISA-N 1 3 254.377 3.009 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767074 377661935 /nfs/dbraw/zinc/66/19/35/377661935.db2.gz JHIBRCCIWZLGFL-LOWVWBTDSA-N 1 3 284.350 3.018 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)[C@@H]1CCCNC1 ZINC000574747792 377703330 /nfs/dbraw/zinc/70/33/30/377703330.db2.gz HUDFWANEXHLTAE-USXIJHARSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000253131376 377677815 /nfs/dbraw/zinc/67/78/15/377677815.db2.gz WKWAESJTNIHCIG-AGIUHOORSA-N 1 3 278.362 3.324 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC000574772059 377707771 /nfs/dbraw/zinc/70/77/71/377707771.db2.gz XITOJIPYPJJABG-GJZGRUSLSA-N 1 3 266.816 3.132 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000574796616 377711221 /nfs/dbraw/zinc/71/12/21/377711221.db2.gz IWKXTXCTFLKMOM-BMFZPTHFSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000574796616 377711230 /nfs/dbraw/zinc/71/12/30/377711230.db2.gz IWKXTXCTFLKMOM-BMFZPTHFSA-N 1 3 278.465 3.095 20 0 CGADHO Cc1ccc(CNCc2ccc(C[NH3+])cc2)cc1C ZINC000258984480 377801855 /nfs/dbraw/zinc/80/18/55/377801855.db2.gz LJJPVVPTUZHCTI-UHFFFAOYSA-N 1 3 254.377 3.052 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261702382 377841130 /nfs/dbraw/zinc/84/11/30/377841130.db2.gz OLFKGEOCCMEGOT-UEEZHKSASA-N 1 3 298.352 3.436 20 0 CGADHO CC[N@H+](CCC1CCCCC1)[C@H]1CCCNCC1 ZINC000261640377 377830784 /nfs/dbraw/zinc/83/07/84/377830784.db2.gz AEOZSJPNQORGTM-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO CC[N@@H+](CCC1CCCCC1)[C@H]1CCCNCC1 ZINC000261640377 377830792 /nfs/dbraw/zinc/83/07/92/377830792.db2.gz AEOZSJPNQORGTM-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000342932222 377864585 /nfs/dbraw/zinc/86/45/85/377864585.db2.gz YJSJBMRDBGWDAY-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000342932222 377864589 /nfs/dbraw/zinc/86/45/89/377864589.db2.gz YJSJBMRDBGWDAY-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000342932222 377864593 /nfs/dbraw/zinc/86/45/93/377864593.db2.gz YJSJBMRDBGWDAY-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000342932222 377864598 /nfs/dbraw/zinc/86/45/98/377864598.db2.gz YJSJBMRDBGWDAY-WMZOPIPTSA-N 1 3 272.436 3.220 20 0 CGADHO CC(C)C[N@H+](CC(C)(C)N)[C@H]1CCCc2cccnc21 ZINC000261919621 377867731 /nfs/dbraw/zinc/86/77/31/377867731.db2.gz KFQOLMQCQWNPMU-HNNXBMFYSA-N 1 3 275.440 3.154 20 0 CGADHO CC(C)C[N@@H+](CC(C)(C)N)[C@H]1CCCc2cccnc21 ZINC000261919621 377867734 /nfs/dbraw/zinc/86/77/34/377867734.db2.gz KFQOLMQCQWNPMU-HNNXBMFYSA-N 1 3 275.440 3.154 20 0 CGADHO C[C@@H](CN(C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924029 377869446 /nfs/dbraw/zinc/86/94/46/377869446.db2.gz KTZZAXFWYWUKHX-BBRMVZONSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@@H](C[N@H+](C)[C@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924029 377869449 /nfs/dbraw/zinc/86/94/49/377869449.db2.gz KTZZAXFWYWUKHX-BBRMVZONSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@@H](C[N@@H+](C)[C@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924029 377869452 /nfs/dbraw/zinc/86/94/52/377869452.db2.gz KTZZAXFWYWUKHX-BBRMVZONSA-N 1 3 264.388 3.003 20 0 CGADHO Cc1ccccc1C[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261962714 377873513 /nfs/dbraw/zinc/87/35/13/377873513.db2.gz HLQWEZBAMMRTMM-QZTJIDSGSA-N 1 3 272.436 3.002 20 0 CGADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261817919 377857111 /nfs/dbraw/zinc/85/71/11/377857111.db2.gz AMSRDGYLARYVAL-KZNAEPCWSA-N 1 3 295.430 3.245 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000262543292 377900374 /nfs/dbraw/zinc/90/03/74/377900374.db2.gz RJDOWLPGYQNKCK-GOEBONIOSA-N 1 3 298.430 3.265 20 0 CGADHO CC(C)Oc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000575980081 378004377 /nfs/dbraw/zinc/00/43/77/378004377.db2.gz LFUMRNNCDWJYFZ-FUHWJXTLSA-N 1 3 290.451 3.123 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000343624612 378046169 /nfs/dbraw/zinc/04/61/69/378046169.db2.gz QVDJWZGJNXGNBI-ROUUACIJSA-N 1 3 272.436 3.208 20 0 CGADHO CCCCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000578193363 378046149 /nfs/dbraw/zinc/04/61/49/378046149.db2.gz UESAREVFRGOIRT-ZIAGYGMSSA-N 1 3 264.413 3.081 20 0 CGADHO C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H](C)O ZINC000578232068 378048537 /nfs/dbraw/zinc/04/85/37/378048537.db2.gz GWBWTSPIXNMRTM-PMPSAXMXSA-N 1 3 290.451 3.009 20 0 CGADHO CCN(Cc1c(C)cccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345196023 378221368 /nfs/dbraw/zinc/22/13/68/378221368.db2.gz BTTXWWSOXIKHNW-MRXNPFEDSA-N 1 3 260.425 3.267 20 0 CGADHO Cc1csc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000344612672 378176296 /nfs/dbraw/zinc/17/62/96/378176296.db2.gz ONCXJFHZGDWCCB-UHFFFAOYSA-N 1 3 287.432 3.210 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000269035102 378179042 /nfs/dbraw/zinc/17/90/42/378179042.db2.gz SKEKEDXPMLQLLV-SMDDNHRTSA-N 1 3 282.428 3.292 20 0 CGADHO NC[C@@H]([NH2+]Cc1cnc(C2CC2)s1)C1CCCCC1 ZINC000584517226 378390729 /nfs/dbraw/zinc/39/07/29/378390729.db2.gz BBQGRUKWBWTDNI-CQSZACIVSA-N 1 3 279.453 3.018 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000271066759 378445334 /nfs/dbraw/zinc/44/53/34/378445334.db2.gz JHNATZKPEJMTTJ-JKSUJKDBSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000271066759 378445339 /nfs/dbraw/zinc/44/53/39/378445339.db2.gz JHNATZKPEJMTTJ-JKSUJKDBSA-N 1 3 275.440 3.387 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1C ZINC000271917358 378516319 /nfs/dbraw/zinc/51/63/19/378516319.db2.gz ZGMIEWBPEBOYNN-OAHLLOKOSA-N 1 3 258.409 3.216 20 0 CGADHO C[C@H]1C[C@@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000346373319 378559479 /nfs/dbraw/zinc/55/94/79/378559479.db2.gz RJBGXJYEYPKHTM-GJZGRUSLSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)[C@H]1CCCO1 ZINC000346491396 378594279 /nfs/dbraw/zinc/59/42/79/378594279.db2.gz OEDZATCPGVDTKB-CRAIPNDOSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)[C@H]1CCCO1 ZINC000346491396 378594282 /nfs/dbraw/zinc/59/42/82/378594282.db2.gz OEDZATCPGVDTKB-CRAIPNDOSA-N 1 3 290.451 3.184 20 0 CGADHO CCCCOc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346680819 378672910 /nfs/dbraw/zinc/67/29/10/378672910.db2.gz MTBPUVMOJYHVCY-ZBFHGGJFSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000638377541 378784040 /nfs/dbraw/zinc/78/40/40/378784040.db2.gz PVCBNEXYFHRPCC-XWSJACJDSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000638377541 378784044 /nfs/dbraw/zinc/78/40/44/378784044.db2.gz PVCBNEXYFHRPCC-XWSJACJDSA-N 1 3 284.447 3.397 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)CN1CCCC1 ZINC000348242150 378858652 /nfs/dbraw/zinc/85/86/52/378858652.db2.gz KITRBVJXBWIFLQ-BPQIPLTHSA-N 1 3 272.436 3.112 20 0 CGADHO COc1ccsc1[C@@H](C)NCC1(C)CC[NH+](C)CC1 ZINC000274609093 378860045 /nfs/dbraw/zinc/86/00/45/378860045.db2.gz SPCIPAHJVFPTET-GFCCVEGCSA-N 1 3 282.453 3.139 20 0 CGADHO CC[C@H](C[N@@H+]1CCC[C@H]([C@@H](C)N)C1)c1ccccc1 ZINC000347004334 218089732 /nfs/dbraw/zinc/08/97/32/218089732.db2.gz AUSLSEYFBCERJB-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CCC[C@H]([C@@H](C)N)C1)c1ccccc1 ZINC000347004334 218089733 /nfs/dbraw/zinc/08/97/33/218089733.db2.gz AUSLSEYFBCERJB-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)CC[C@H]1c1ccccc1 ZINC000347014314 218092175 /nfs/dbraw/zinc/09/21/75/218092175.db2.gz WRINDRNSLODMLG-SOLBZPMBSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CC[C@H]1c1ccccc1 ZINC000347014314 218092177 /nfs/dbraw/zinc/09/21/77/218092177.db2.gz WRINDRNSLODMLG-SOLBZPMBSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000347014314 218092180 /nfs/dbraw/zinc/09/21/80/218092180.db2.gz WRINDRNSLODMLG-SOLBZPMBSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131580 218132723 /nfs/dbraw/zinc/13/27/23/218132723.db2.gz RIPODYXACWSPCS-DNVCBOLYSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC(F)(F)C1 ZINC000277160650 379085516 /nfs/dbraw/zinc/08/55/16/379085516.db2.gz QYFYZPRHQMBUGV-XJKSGUPXSA-N 1 3 294.389 3.284 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC(F)(F)C1 ZINC000277160650 379085518 /nfs/dbraw/zinc/08/55/18/379085518.db2.gz QYFYZPRHQMBUGV-XJKSGUPXSA-N 1 3 294.389 3.284 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)CC[NH+](C)C ZINC000349204174 379189700 /nfs/dbraw/zinc/18/97/00/379189700.db2.gz WAKKTSSWOHGYRM-IIAWOOMASA-N 1 3 260.425 3.473 20 0 CGADHO CC(C)O[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373520504 379291685 /nfs/dbraw/zinc/29/16/85/379291685.db2.gz INOSLDFFEZYSFZ-BACDZXNISA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)O[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373520507 379293034 /nfs/dbraw/zinc/29/30/34/379293034.db2.gz INOSLDFFEZYSFZ-SJJHQCBESA-N 1 3 294.483 3.185 20 0 CGADHO Cc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC000639759003 379571772 /nfs/dbraw/zinc/57/17/72/379571772.db2.gz ZJOMAAWVYCJNCI-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc2c(c1)CCCC2 ZINC000392245495 379911156 /nfs/dbraw/zinc/91/11/56/379911156.db2.gz PORQPMIWIPQOGI-OAHLLOKOSA-N 1 3 284.447 3.478 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000394470016 379919478 /nfs/dbraw/zinc/91/94/78/379919478.db2.gz DVLUKFLPZJCGPL-RDBSUJKOSA-N 1 3 272.383 3.028 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000394470016 379919481 /nfs/dbraw/zinc/91/94/81/379919481.db2.gz DVLUKFLPZJCGPL-RDBSUJKOSA-N 1 3 272.383 3.028 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000382124894 379871422 /nfs/dbraw/zinc/87/14/22/379871422.db2.gz NLAWLBFAVFFNIE-JSGCOSHPSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000382124894 379871428 /nfs/dbraw/zinc/87/14/28/379871428.db2.gz NLAWLBFAVFFNIE-JSGCOSHPSA-N 1 3 252.427 3.131 20 0 CGADHO Clc1cccc(Cl)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389156174 379894421 /nfs/dbraw/zinc/89/44/21/379894421.db2.gz XKAULDHQICQVRI-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]Cc1cccc2c1CCNC2 ZINC000398141270 379928955 /nfs/dbraw/zinc/92/89/55/379928955.db2.gz OKGUSYYBAXURGM-ZDUSSCGKSA-N 1 3 258.409 3.001 20 0 CGADHO CCC(CC)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000409445277 380031467 /nfs/dbraw/zinc/03/14/67/380031467.db2.gz RMOWODWSBXHRMZ-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC(CC)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000409445277 380031473 /nfs/dbraw/zinc/03/14/73/380031473.db2.gz RMOWODWSBXHRMZ-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805274 380112991 /nfs/dbraw/zinc/11/29/91/380112991.db2.gz FIGZLTHQYPQICT-WOPDTQHZSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@@H+](CCCCC(F)(F)F)[C@H]1C ZINC000641805274 380112997 /nfs/dbraw/zinc/11/29/97/380112997.db2.gz FIGZLTHQYPQICT-WOPDTQHZSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc2n[nH]cc2c1 ZINC000353199551 380163543 /nfs/dbraw/zinc/16/35/43/380163543.db2.gz JQFZCBSHTMDWFU-CJNGLKHVSA-N 1 3 286.423 3.088 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1cncs1 ZINC000411552266 380152077 /nfs/dbraw/zinc/15/20/77/380152077.db2.gz PEBNEFNCHIBRRF-GOEBONIOSA-N 1 3 295.496 3.176 20 0 CGADHO CSC1(CN[C@@H](C)c2ccccc2F)CC[NH+](C)CC1 ZINC000353186475 380157834 /nfs/dbraw/zinc/15/78/34/380157834.db2.gz KJFWAAYFNSZWEA-ZDUSSCGKSA-N 1 3 296.455 3.304 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643502852 380326431 /nfs/dbraw/zinc/32/64/31/380326431.db2.gz TYWGLJAJPHWHND-IXDOHACOSA-N 1 3 287.451 3.148 20 0 CGADHO CCCc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521539 380335314 /nfs/dbraw/zinc/33/53/14/380335314.db2.gz PKQGUODOWBFHMK-RHSMWYFYSA-N 1 3 260.425 3.432 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548946 380365452 /nfs/dbraw/zinc/36/54/52/380365452.db2.gz XVWBLWONHDEQHJ-KLHDSHLOSA-N 1 3 264.457 3.466 20 0 CGADHO CC[C@](C)(NC[C@@H]1CC[NH2+][C@@H](C)C1)c1nc(C)cs1 ZINC000414713207 380385980 /nfs/dbraw/zinc/38/59/80/380385980.db2.gz TYTGQGGNJXQFPU-LNSITVRQSA-N 1 3 281.469 3.054 20 0 CGADHO CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCNCC1 ZINC000643522448 380339265 /nfs/dbraw/zinc/33/92/65/380339265.db2.gz NFVPYJFOCYZWGS-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643522358 380339825 /nfs/dbraw/zinc/33/98/25/380339825.db2.gz LZMJYUWNEVNIHQ-NVXWUHKLSA-N 1 3 272.436 3.413 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643523016 380340004 /nfs/dbraw/zinc/34/00/04/380340004.db2.gz VOIPFNMUFJVIMW-SUMWQHHRSA-N 1 3 288.435 3.149 20 0 CGADHO CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526312 380342364 /nfs/dbraw/zinc/34/23/64/380342364.db2.gz ZACOQCCVHDKHHF-UONOGXRCSA-N 1 3 264.413 3.253 20 0 CGADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000643527603 380343504 /nfs/dbraw/zinc/34/35/04/380343504.db2.gz PACZGRQSZAHXJU-LEWSCRJBSA-N 1 3 286.341 3.278 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CCc2ccc(C(C)C)cc2)C1 ZINC000414648781 380350129 /nfs/dbraw/zinc/35/01/29/380350129.db2.gz BKRSYFGLPPZGGY-QGZVFWFLSA-N 1 3 274.452 3.284 20 0 CGADHO CC(C)CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536120 380352110 /nfs/dbraw/zinc/35/21/10/380352110.db2.gz RGFTYRHWVRBNIH-HOTGVXAUSA-N 1 3 276.424 3.489 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643545791 380358208 /nfs/dbraw/zinc/35/82/08/380358208.db2.gz CIGHNQCNJIHEJQ-STQMWFEESA-N 1 3 264.438 3.464 20 0 CGADHO c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCNC4(CCC4)C3)C2)c1 ZINC000643547345 380360867 /nfs/dbraw/zinc/36/08/67/380360867.db2.gz DBKQWEUIXBICLN-KBAYOESNSA-N 1 3 299.462 3.372 20 0 CGADHO C1CC2(C1)C[C@H]([NH2+][C@H]1CCCC13CCCC3)CCN2 ZINC000643547360 380360883 /nfs/dbraw/zinc/36/08/83/380360883.db2.gz DISCGLYIFHWYEJ-CABCVRRESA-N 1 3 262.441 3.364 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547406 380363050 /nfs/dbraw/zinc/36/30/50/380363050.db2.gz FAVWDIQTFLAUDV-MGPQQGTHSA-N 1 3 250.430 3.075 20 0 CGADHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000414812052 380423964 /nfs/dbraw/zinc/42/39/64/380423964.db2.gz QQLLZKYQSQQKFD-GFCCVEGCSA-N 1 3 288.366 3.144 20 0 CGADHO CCC([NH3+])(CC)CNCCc1ccc(C(C)C)cc1 ZINC000414815878 380427614 /nfs/dbraw/zinc/42/76/14/380427614.db2.gz YQUYMRPQEQAERG-UHFFFAOYSA-N 1 3 262.441 3.460 20 0 CGADHO CC(C)[C@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000414855708 380457106 /nfs/dbraw/zinc/45/71/06/380457106.db2.gz NJBPZKMBMQEWHT-WBVHZDCISA-N 1 3 260.425 3.015 20 0 CGADHO CC(C)C[C@@H](CN)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414855559 380457587 /nfs/dbraw/zinc/45/75/87/380457587.db2.gz WZYHAVBINOYFFF-LBPRGKRZSA-N 1 3 295.477 3.335 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)CNC ZINC000414829755 380437308 /nfs/dbraw/zinc/43/73/08/380437308.db2.gz BKENSAWAYLYJDS-RDJZCZTQSA-N 1 3 262.441 3.233 20 0 CGADHO c1ccc(C[C@H]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000414829092 380437769 /nfs/dbraw/zinc/43/77/69/380437769.db2.gz NBVIFPSOIYNNAQ-AQVVAKNZSA-N 1 3 284.447 3.270 20 0 CGADHO CC[C@H](CNCC1([NH3+])CCCCC1)c1ccccc1 ZINC000414833374 380442206 /nfs/dbraw/zinc/44/22/06/380442206.db2.gz AOXCULXUMJLEDA-OAHLLOKOSA-N 1 3 260.425 3.431 20 0 CGADHO COc1ccc2cc(CN[C@H](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000414855409 380457959 /nfs/dbraw/zinc/45/79/59/380457959.db2.gz NDAKFUXXVKJJQW-RDTXWAMCSA-N 1 3 298.430 3.326 20 0 CGADHO COc1ccc(CC[C@H](C)NCC2([NH3+])CCCCC2)cc1 ZINC000414839266 380445727 /nfs/dbraw/zinc/44/57/27/380445727.db2.gz JFSSQXVQRCAXGD-HNNXBMFYSA-N 1 3 290.451 3.268 20 0 CGADHO c1cc(-c2ccccc2)oc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414843596 380449945 /nfs/dbraw/zinc/44/99/45/380449945.db2.gz QIGDLGUJABEJGO-HNNXBMFYSA-N 1 3 284.403 3.426 20 0 CGADHO c1ccc(CC[C@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000414784941 380403108 /nfs/dbraw/zinc/40/31/08/380403108.db2.gz UHJXNCCBNIOAIA-AEFFLSMTSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414795298 380409119 /nfs/dbraw/zinc/40/91/19/380409119.db2.gz GMOYHBKLXVDJHQ-FRFSOERESA-N 1 3 278.415 3.254 20 0 CGADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000414794872 380409196 /nfs/dbraw/zinc/40/91/96/380409196.db2.gz GAHAASSFINDYGA-YXJHDRRASA-N 1 3 290.451 3.123 20 0 CGADHO CCCOc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414809961 380422200 /nfs/dbraw/zinc/42/22/00/380422200.db2.gz UYDAFOYMSQGAII-DOTOQJQBSA-N 1 3 276.424 3.083 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414809860 380422789 /nfs/dbraw/zinc/42/27/89/380422789.db2.gz USRGBZVISBCPHJ-KURKYZTESA-N 1 3 274.452 3.423 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000414927785 380491754 /nfs/dbraw/zinc/49/17/54/380491754.db2.gz POQVNHPWEVLKKL-BDXSIMOUSA-N 1 3 272.436 3.257 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414925139 380492119 /nfs/dbraw/zinc/49/21/19/380492119.db2.gz LASVNBAOVKOAFV-WQVCFCJDSA-N 1 3 264.388 3.006 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414934694 380496094 /nfs/dbraw/zinc/49/60/94/380496094.db2.gz FLCKTXGOQOJVOX-NRSFXHEJSA-N 1 3 272.436 3.084 20 0 CGADHO COc1ccc2cc(C[NH2+][C@@H]3CCCN[C@@H]3C)ccc2c1 ZINC000414937288 380496599 /nfs/dbraw/zinc/49/65/99/380496599.db2.gz DHKZNAWCNHZXST-FZKQIMNGSA-N 1 3 284.403 3.079 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]C1(C)CCNCC1 ZINC000414945411 380500787 /nfs/dbraw/zinc/50/07/87/380500787.db2.gz RLOWZGACMUVBBM-UHFFFAOYSA-N 1 3 266.816 3.189 20 0 CGADHO C[C@@H](CNCC1([NH3+])CCC1)c1cccc(Br)c1 ZINC000414869374 380466970 /nfs/dbraw/zinc/46/69/70/380466970.db2.gz AOLOKCKOZHLDHC-NSHDSACASA-N 1 3 297.240 3.024 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](C)CN ZINC000414880955 380472739 /nfs/dbraw/zinc/47/27/39/380472739.db2.gz RLNKSYMWOLWUKY-MFKMUULPSA-N 1 3 289.250 3.499 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+]C[C@]1(C)CCCNC1 ZINC000414900243 380479855 /nfs/dbraw/zinc/47/98/55/380479855.db2.gz ICVMHUFOBPEDEZ-FUHWJXTLSA-N 1 3 274.452 3.235 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899555 380480000 /nfs/dbraw/zinc/48/00/00/380480000.db2.gz CMCVXXUJJBCISS-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)NCC[C@H]1CCC[NH2+]1 ZINC000414902745 380482257 /nfs/dbraw/zinc/48/22/57/380482257.db2.gz IFWUPRZXAFHJQN-NVXWUHKLSA-N 1 3 274.452 3.475 20 0 CGADHO C[C@H](NCC1=CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000645854118 380753408 /nfs/dbraw/zinc/75/34/08/380753408.db2.gz VKTYLXRARXIWEA-HOCLYGCPSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@H](NCC1=CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000645854118 380753411 /nfs/dbraw/zinc/75/34/11/380753411.db2.gz VKTYLXRARXIWEA-HOCLYGCPSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@H]([NH2+]CC1=CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000645854118 380753412 /nfs/dbraw/zinc/75/34/12/380753412.db2.gz VKTYLXRARXIWEA-HOCLYGCPSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@H]1c2cc(F)cc(F)c2CCN1CC[C@H]1CCC[NH2+]C1 ZINC000420301626 380845787 /nfs/dbraw/zinc/84/57/87/380845787.db2.gz LSEWHNBGSMWUMQ-QWHCGFSZSA-N 1 3 294.389 3.274 20 0 CGADHO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](C)N ZINC000420324436 380847921 /nfs/dbraw/zinc/84/79/21/380847921.db2.gz VIVLDJWMANZMOD-LLVKDONJSA-N 1 3 285.229 3.007 20 0 CGADHO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H](C)N ZINC000420324436 380847929 /nfs/dbraw/zinc/84/79/29/380847929.db2.gz VIVLDJWMANZMOD-LLVKDONJSA-N 1 3 285.229 3.007 20 0 CGADHO CCc1ccccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420383610 380852603 /nfs/dbraw/zinc/85/26/03/380852603.db2.gz DLAOGNCEQWPQGA-SJLPKXTDSA-N 1 3 272.436 3.213 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333229 380852957 /nfs/dbraw/zinc/85/29/57/380852957.db2.gz SMOOQYLYGOYHNZ-MGPQQGTHSA-N 1 3 294.389 3.347 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000358367156 381304806 /nfs/dbraw/zinc/30/48/06/381304806.db2.gz KKRUXZMYRSBXLG-UHFFFAOYSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000358366657 381305972 /nfs/dbraw/zinc/30/59/72/381305972.db2.gz IWEYWEJIWYPGOA-BQFCYCMXSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CO)CCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358366657 381305977 /nfs/dbraw/zinc/30/59/77/381305977.db2.gz IWEYWEJIWYPGOA-BQFCYCMXSA-N 1 3 296.499 3.028 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000359327860 381343915 /nfs/dbraw/zinc/34/39/15/381343915.db2.gz XVCIMWILFXVYOO-TWMKSMIVSA-N 1 3 282.472 3.044 20 0 CGADHO CC[NH+]1CCC(NC[C@@H]2SCCc3ccccc32)CC1 ZINC000360241157 381494281 /nfs/dbraw/zinc/49/42/81/381494281.db2.gz YRXIQHHRZABMGP-KRWDZBQOSA-N 1 3 290.476 3.091 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362913209 382144382 /nfs/dbraw/zinc/14/43/82/382144382.db2.gz PZGPIVFIAYQKND-ZDUSSCGKSA-N 1 3 289.398 3.129 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CS1 ZINC000365194140 382283383 /nfs/dbraw/zinc/28/33/83/382283383.db2.gz CDIHMSYVFLJZLA-AJNGGQMLSA-N 1 3 282.497 3.123 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000365194140 382283388 /nfs/dbraw/zinc/28/33/88/382283388.db2.gz CDIHMSYVFLJZLA-AJNGGQMLSA-N 1 3 282.497 3.123 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000364318189 382269619 /nfs/dbraw/zinc/26/96/19/382269619.db2.gz ZBFBZENPIBSRSZ-YLFCFFPRSA-N 1 3 262.441 3.195 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)ccn1 ZINC000368479577 382375083 /nfs/dbraw/zinc/37/50/83/382375083.db2.gz VCQJBZZLZFHJLT-JQHSSLGASA-N 1 3 285.435 3.076 20 0 CGADHO C[N@H+]1CC=C(CN[C@H]2CCSc3c(F)cccc32)CC1 ZINC000271815520 542366740 /nfs/dbraw/zinc/36/67/40/542366740.db2.gz BIENNHLKTOCAGI-HNNXBMFYSA-N 1 3 292.423 3.214 20 0 CGADHO C[N@@H+]1CC=C(CN[C@H]2CCSc3c(F)cccc32)CC1 ZINC000271815520 542366743 /nfs/dbraw/zinc/36/67/43/542366743.db2.gz BIENNHLKTOCAGI-HNNXBMFYSA-N 1 3 292.423 3.214 20 0 CGADHO CSCCN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353882406 220384230 /nfs/dbraw/zinc/38/42/30/220384230.db2.gz QAYOFVPSTCGDAG-UHFFFAOYSA-N 1 3 294.508 3.439 20 0 CGADHO CSCCN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353882406 220384233 /nfs/dbraw/zinc/38/42/33/220384233.db2.gz QAYOFVPSTCGDAG-UHFFFAOYSA-N 1 3 294.508 3.439 20 0 CGADHO COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423314385 533178698 /nfs/dbraw/zinc/17/86/98/533178698.db2.gz GXSGIUFOCMETBU-MSOLQXFVSA-N 1 3 290.451 3.499 20 0 CGADHO CN(CCC[NH2+]CC1(C)CCC1)C1CCCCC1 ZINC000336797234 542479055 /nfs/dbraw/zinc/47/90/55/542479055.db2.gz ZUWBABYSBJGRNZ-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO C[N@H+](CCCNCC1(C)CCC1)C1CCCCC1 ZINC000336797234 542479059 /nfs/dbraw/zinc/47/90/59/542479059.db2.gz ZUWBABYSBJGRNZ-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO C[N@@H+](CCCNCC1(C)CCC1)C1CCCCC1 ZINC000336797234 542479061 /nfs/dbraw/zinc/47/90/61/542479061.db2.gz ZUWBABYSBJGRNZ-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(SCC(F)F)cc1 ZINC000423287873 533352264 /nfs/dbraw/zinc/35/22/64/533352264.db2.gz OZSGJLUYYMERKE-SNVBAGLBSA-N 1 3 288.407 3.432 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000414916529 542639249 /nfs/dbraw/zinc/63/92/49/542639249.db2.gz OSXTYDNJLBMLNU-XSLAGTTESA-N 1 3 272.436 3.356 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(OC3CCCC3)c2)C1 ZINC000414933370 542641076 /nfs/dbraw/zinc/64/10/76/542641076.db2.gz WUKMYQMXKFNKLQ-CVEARBPZSA-N 1 3 288.435 3.368 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414931709 542641212 /nfs/dbraw/zinc/64/12/12/542641212.db2.gz UWNOOUBBBFKRMX-BPLDGKMQSA-N 1 3 264.388 3.006 20 0 CGADHO NCCC[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000415106168 542642875 /nfs/dbraw/zinc/64/28/75/542642875.db2.gz MSXDXMCJMBWZTE-WPUWVODUSA-N 1 3 292.426 3.222 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCCCC2)C1 ZINC000048068350 391993408 /nfs/dbraw/zinc/99/34/08/391993408.db2.gz PMCICUXULSLQNA-GASCZTMLSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000022146049 391944193 /nfs/dbraw/zinc/94/41/93/391944193.db2.gz CLNPFTYDAPROID-HNNXBMFYSA-N 1 3 260.425 3.386 20 0 CGADHO CC[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613835 542653131 /nfs/dbraw/zinc/65/31/31/542653131.db2.gz JRVMTFZMSZJBFL-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN(CC[C@@H](C)[N@H+]2CC[C@@H](CC)C2)C1 ZINC000431613835 542653135 /nfs/dbraw/zinc/65/31/35/542653135.db2.gz JRVMTFZMSZJBFL-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN([C@H](C)CC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000431613835 542653138 /nfs/dbraw/zinc/65/31/38/542653138.db2.gz JRVMTFZMSZJBFL-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@@H]1CCN([C@H](C)CC[N@H+]2CC[C@@H](CC)C2)C1 ZINC000431613835 542653141 /nfs/dbraw/zinc/65/31/41/542653141.db2.gz JRVMTFZMSZJBFL-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CC1(COC)CCC1 ZINC000361336358 392278282 /nfs/dbraw/zinc/27/82/82/392278282.db2.gz PSFFJLCHSLPIHJ-SJORKVTESA-N 1 3 296.499 3.293 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000249376541 131120882 /nfs/dbraw/zinc/12/08/82/131120882.db2.gz KQLUNVXWSMHONR-KGLIPLIRSA-N 1 3 272.392 3.425 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000250193333 131124613 /nfs/dbraw/zinc/12/46/13/131124613.db2.gz ANUWTPZFQAGCAC-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000251212485 131128296 /nfs/dbraw/zinc/12/82/96/131128296.db2.gz CZAPBSGIJZWERC-CFVMTHIKSA-N 1 3 278.465 3.204 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000251212485 131128298 /nfs/dbraw/zinc/12/82/98/131128298.db2.gz CZAPBSGIJZWERC-CFVMTHIKSA-N 1 3 278.465 3.204 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000126562800 392442880 /nfs/dbraw/zinc/44/28/80/392442880.db2.gz DTVWCPCIQTWDFJ-FGTMMUONSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126562800 392442884 /nfs/dbraw/zinc/44/28/84/392442884.db2.gz DTVWCPCIQTWDFJ-FGTMMUONSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126562800 392442886 /nfs/dbraw/zinc/44/28/86/392442886.db2.gz DTVWCPCIQTWDFJ-FGTMMUONSA-N 1 3 272.436 3.224 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(CCc3ccc4ccccc4c3)C2)C1 ZINC000366482155 392454328 /nfs/dbraw/zinc/45/43/28/392454328.db2.gz MRZHZXQYPILJSZ-HXUWFJFHSA-N 1 3 294.442 3.410 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(CCc3ccc4ccccc4c3)C2)C1 ZINC000366482155 392454332 /nfs/dbraw/zinc/45/43/32/392454332.db2.gz MRZHZXQYPILJSZ-HXUWFJFHSA-N 1 3 294.442 3.410 20 0 CGADHO CC1([NH3+])CCN(Cc2cccc3ccccc32)CC1 ZINC000647531175 392751843 /nfs/dbraw/zinc/75/18/43/392751843.db2.gz FOTSGHUPBGQLJU-UHFFFAOYSA-N 1 3 254.377 3.153 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000647543582 392759587 /nfs/dbraw/zinc/75/95/87/392759587.db2.gz PUSYNEVHUOEVMQ-KGLIPLIRSA-N 1 3 294.389 3.176 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647800783 392802729 /nfs/dbraw/zinc/80/27/29/392802729.db2.gz KMGRHAYBUSWEOE-MTHXSQLBSA-N 1 3 284.447 3.300 20 0 CGADHO FC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000647803778 392804503 /nfs/dbraw/zinc/80/45/03/392804503.db2.gz BQCVVKKFYHVPTB-GADNRMJZSA-N 1 3 282.447 3.415 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000647803276 392805318 /nfs/dbraw/zinc/80/53/18/392805318.db2.gz QPIIAPBXIKZMSK-NSHDSACASA-N 1 3 276.330 3.274 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC(C)(C)N1 ZINC000510737642 392812987 /nfs/dbraw/zinc/81/29/87/392812987.db2.gz SLLVLIMRNDZHQE-LSDHHAIUSA-N 1 3 264.457 3.464 20 0 CGADHO c1ccc(CN(C[C@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC000647879588 392823190 /nfs/dbraw/zinc/82/31/90/392823190.db2.gz VPHUYJMYDKKTHR-KRWDZBQOSA-N 1 3 272.436 3.431 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000647957085 392843606 /nfs/dbraw/zinc/84/36/06/392843606.db2.gz MSYGXTDOKNPYEL-QZTJIDSGSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000647957085 392843612 /nfs/dbraw/zinc/84/36/12/392843612.db2.gz MSYGXTDOKNPYEL-QZTJIDSGSA-N 1 3 270.420 3.140 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957085 392843615 /nfs/dbraw/zinc/84/36/15/392843615.db2.gz MSYGXTDOKNPYEL-QZTJIDSGSA-N 1 3 270.420 3.140 20 0 CGADHO C[C@H](CNC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000376026405 392855725 /nfs/dbraw/zinc/85/57/25/392855725.db2.gz ACNSEZOROVBDJU-FAEJEUNOSA-N 1 3 272.436 3.397 20 0 CGADHO CC(C)CN(C[C@H]1CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000647990863 392858936 /nfs/dbraw/zinc/85/89/36/392858936.db2.gz ORJVOOOLTGNJQH-RDJZCZTQSA-N 1 3 287.451 3.027 20 0 CGADHO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccc2n1 ZINC000338749201 392926450 /nfs/dbraw/zinc/92/64/50/392926450.db2.gz YKPQZQZGTAVFES-IBGZPJMESA-N 1 3 295.430 3.465 20 0 CGADHO Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c2ccccc2n1 ZINC000338749201 392926462 /nfs/dbraw/zinc/92/64/62/392926462.db2.gz YKPQZQZGTAVFES-IBGZPJMESA-N 1 3 295.430 3.465 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000392298563 392929555 /nfs/dbraw/zinc/92/95/55/392929555.db2.gz XRSTYCNEDKWTJX-INIZCTEOSA-N 1 3 262.441 3.341 20 0 CGADHO [NH3+]CCCN(CCc1ccccc1)Cc1ccccc1 ZINC000220527639 393004496 /nfs/dbraw/zinc/00/44/96/393004496.db2.gz ZBSGHNVLVWPMGS-UHFFFAOYSA-N 1 3 268.404 3.080 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648433228 393014070 /nfs/dbraw/zinc/01/40/70/393014070.db2.gz MTLRCDFJRMJAMJ-VQIMIIECSA-N 1 3 286.463 3.256 20 0 CGADHO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)N)ccc1Oc1cccnc1 ZINC000415011973 393095417 /nfs/dbraw/zinc/09/54/17/393095417.db2.gz RRAXKWTUCIJRQA-KGLIPLIRSA-N 1 3 285.391 3.008 20 0 CGADHO C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCCO1 ZINC000249377211 393103964 /nfs/dbraw/zinc/10/39/64/393103964.db2.gz PXJOTGGNFNKFNU-ZWKOTPCHSA-N 1 3 294.483 3.144 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000415031997 393104872 /nfs/dbraw/zinc/10/48/72/393104872.db2.gz HQTICHQPLHNBRD-GHMZBOCLSA-N 1 3 278.783 3.303 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906752 393057824 /nfs/dbraw/zinc/05/78/24/393057824.db2.gz MNPXMVVOPUHEBV-PMPSAXMXSA-N 1 3 252.446 3.325 20 0 CGADHO COc1ccc2cc(C[NH2+]C3(C)CCNCC3)ccc2c1 ZINC000414949021 393058545 /nfs/dbraw/zinc/05/85/45/393058545.db2.gz ZJPKZSASKCYMNV-UHFFFAOYSA-N 1 3 284.403 3.080 20 0 CGADHO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000414952596 393061577 /nfs/dbraw/zinc/06/15/77/393061577.db2.gz KQQDFNCIXHFCTF-FZMZJTMJSA-N 1 3 260.406 3.131 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414956971 393065149 /nfs/dbraw/zinc/06/51/49/393065149.db2.gz QMVPUPXJRRUZJD-UXLLHSPISA-N 1 3 260.425 3.046 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(Cl)c1 ZINC000414956764 393065314 /nfs/dbraw/zinc/06/53/14/393065314.db2.gz VPJBUBRGMWYVJL-YWPYICTPSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@@H](CN[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1 ZINC000414956764 393065318 /nfs/dbraw/zinc/06/53/18/393065318.db2.gz VPJBUBRGMWYVJL-YWPYICTPSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000414982657 393079203 /nfs/dbraw/zinc/07/92/03/393079203.db2.gz YSAWFEFNUQCFNN-LMMKCTJWSA-N 1 3 286.463 3.475 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccc(Cl)s1 ZINC000414987552 393080164 /nfs/dbraw/zinc/08/01/64/393080164.db2.gz KKASOQXBWWXISE-ZJUUUORDSA-N 1 3 260.834 3.050 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000415049694 393112229 /nfs/dbraw/zinc/11/22/29/393112229.db2.gz XUNRYNTYBAMWLS-JOYOIKCWSA-N 1 3 290.304 3.062 20 0 CGADHO Cc1ccc(C)c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052293 393115643 /nfs/dbraw/zinc/11/56/43/393115643.db2.gz NCSSDVKRKNKJAY-AEFFLSMTSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC(C)(C)c1ccccc1F ZINC000415074325 393130091 /nfs/dbraw/zinc/13/00/91/393130091.db2.gz CHSCIPZSRWCVAD-UONOGXRCSA-N 1 3 278.415 3.224 20 0 CGADHO CC(C)CC[C@H]([NH2+]C[C@H]1CCCNC1)C(C)(C)C ZINC000415080332 393134726 /nfs/dbraw/zinc/13/47/26/393134726.db2.gz JJTIXVINTPCHAO-GJZGRUSLSA-N 1 3 254.462 3.427 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000415082078 393135637 /nfs/dbraw/zinc/13/56/37/393135637.db2.gz LGEVOMQBDCAHJI-ABAIWWIYSA-N 1 3 266.816 3.290 20 0 CGADHO Cc1cc(C)c(CNCc2ccc(C[NH3+])cc2)c(C)c1 ZINC000258896683 393138445 /nfs/dbraw/zinc/13/84/45/393138445.db2.gz DEHBGAPHBVGEOM-UHFFFAOYSA-N 1 3 268.404 3.360 20 0 CGADHO C[C@H](NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415091065 393142734 /nfs/dbraw/zinc/14/27/34/393142734.db2.gz YRXCXTJXEORFRF-CMPLNLGQSA-N 1 3 287.234 3.124 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000353940898 393235505 /nfs/dbraw/zinc/23/55/05/393235505.db2.gz CWKOKDLADSVPEJ-IKGGRYGDSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000353924356 393235549 /nfs/dbraw/zinc/23/55/49/393235549.db2.gz BPULNUPAGDSNTQ-MRXNPFEDSA-N 1 3 292.471 3.066 20 0 CGADHO CC(C)n1nccc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000353924356 393235552 /nfs/dbraw/zinc/23/55/52/393235552.db2.gz BPULNUPAGDSNTQ-MRXNPFEDSA-N 1 3 292.471 3.066 20 0 CGADHO C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000355581030 393330953 /nfs/dbraw/zinc/33/09/53/393330953.db2.gz JFMFKMQVCMMSLU-KGLIPLIRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)(C[NH2+]C1CCC(F)(F)CC1)CN1CCCC1 ZINC000647206232 393387115 /nfs/dbraw/zinc/38/71/15/393387115.db2.gz LVQZHUVSOBTUSD-UHFFFAOYSA-N 1 3 274.399 3.276 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCN(C)C(C)C ZINC000479527479 393433332 /nfs/dbraw/zinc/43/33/32/393433332.db2.gz MRJINYVPPJGYRQ-HOTGVXAUSA-N 1 3 252.446 3.299 20 0 CGADHO Cc1cccc(C)c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420390965 393481629 /nfs/dbraw/zinc/48/16/29/393481629.db2.gz ICKBUYUMSAMDGD-WMZOPIPTSA-N 1 3 272.436 3.267 20 0 CGADHO CC[NH2+]CC1CCN(CCCCC(F)(F)F)CC1 ZINC000420292276 393451602 /nfs/dbraw/zinc/45/16/02/393451602.db2.gz OYSRGPNQTKPFPS-UHFFFAOYSA-N 1 3 266.351 3.041 20 0 CGADHO C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)CC1CCOCC1 ZINC000420393554 393482792 /nfs/dbraw/zinc/48/27/92/393482792.db2.gz JXDGIOGPQNOIBJ-QZTJIDSGSA-N 1 3 294.483 3.047 20 0 CGADHO CC[C@@]1(C)CCCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311839 393461480 /nfs/dbraw/zinc/46/14/80/393461480.db2.gz WDFXWJDZPGVJDK-WMZOPIPTSA-N 1 3 290.451 3.250 20 0 CGADHO c1ccc([C@@H](NCC[C@H]2CCC[NH2+]C2)c2ccccn2)cc1 ZINC000420316701 393463408 /nfs/dbraw/zinc/46/34/08/393463408.db2.gz MFEGYZDACMSJFD-VQIMIIECSA-N 1 3 295.430 3.150 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1cccc(Cl)c1 ZINC000420362301 393475258 /nfs/dbraw/zinc/47/52/58/393475258.db2.gz MYDXKZKFJIJUJW-HNNXBMFYSA-N 1 3 296.842 3.087 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCCCOc1cccc(Cl)c1 ZINC000420362301 393475262 /nfs/dbraw/zinc/47/52/62/393475262.db2.gz MYDXKZKFJIJUJW-HNNXBMFYSA-N 1 3 296.842 3.087 20 0 CGADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccccc1Cl ZINC000420370593 393476739 /nfs/dbraw/zinc/47/67/39/393476739.db2.gz JQZYONXZJHIYSR-GFCCVEGCSA-N 1 3 266.816 3.380 20 0 CGADHO Cc1ccc2nccc(NC3CCC([NH+](C)C)CC3)c2c1 ZINC000420625734 393509575 /nfs/dbraw/zinc/50/95/75/393509575.db2.gz LHKZYXUALDJAAZ-UHFFFAOYSA-N 1 3 283.419 3.250 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)CN1CCCC1 ZINC000488435879 393512064 /nfs/dbraw/zinc/51/20/64/393512064.db2.gz WMRYVMXGFCAWAP-QLFBSQMISA-N 1 3 284.513 3.228 20 0 CGADHO C[C@H](CN[C@@H]1CS[C@@H](C(C)(C)C)C1)C[NH+]1CCCC1 ZINC000488435879 393512066 /nfs/dbraw/zinc/51/20/66/393512066.db2.gz WMRYVMXGFCAWAP-QLFBSQMISA-N 1 3 284.513 3.228 20 0 CGADHO CC1=C[C@@H](C)CN(C/C=C\C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263368 393552116 /nfs/dbraw/zinc/55/21/16/393552116.db2.gz NSTQAQQZOLJZJF-QSAANWBWSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@@H](C)CN(C/C=C\C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430263368 393552123 /nfs/dbraw/zinc/55/21/23/393552123.db2.gz NSTQAQQZOLJZJF-QSAANWBWSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@@H](C)C[N@@H+](C/C=C\CN2CC(C)=C[C@H](C)C2)C1 ZINC000430263368 393552128 /nfs/dbraw/zinc/55/21/28/393552128.db2.gz NSTQAQQZOLJZJF-QSAANWBWSA-N 1 3 274.452 3.339 20 0 CGADHO CC1=C[C@@H](C)C[N@H+](C/C=C\CN2CC(C)=C[C@H](C)C2)C1 ZINC000430263368 393552134 /nfs/dbraw/zinc/55/21/34/393552134.db2.gz NSTQAQQZOLJZJF-QSAANWBWSA-N 1 3 274.452 3.339 20 0 CGADHO CCC(C)(C)CCN1CCC([NH2+]CC2CC2)CC1 ZINC000430552188 393575360 /nfs/dbraw/zinc/57/53/60/393575360.db2.gz MYNFRDRZWSELMZ-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCNCC2)cc1 ZINC000666857706 542821985 /nfs/dbraw/zinc/82/19/85/542821985.db2.gz FZRQBRCNQDEZIY-DOTOQJQBSA-N 1 3 260.425 3.048 20 0 CGADHO Fc1cccc([C@@H]2CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000489865540 393617454 /nfs/dbraw/zinc/61/74/54/393617454.db2.gz XCJHHAOXFFADLL-QGZVFWFLSA-N 1 3 290.426 3.491 20 0 CGADHO Fc1cccc([C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000489865540 393617456 /nfs/dbraw/zinc/61/74/56/393617456.db2.gz XCJHHAOXFFADLL-QGZVFWFLSA-N 1 3 290.426 3.491 20 0 CGADHO Fc1cccc([C@H]2CC[N@H+](CCCN3CCCCC3)C2)c1 ZINC000489865539 393617670 /nfs/dbraw/zinc/61/76/70/393617670.db2.gz XCJHHAOXFFADLL-KRWDZBQOSA-N 1 3 290.426 3.491 20 0 CGADHO Fc1cccc([C@H]2CC[N@@H+](CCCN3CCCCC3)C2)c1 ZINC000489865539 393617675 /nfs/dbraw/zinc/61/76/75/393617675.db2.gz XCJHHAOXFFADLL-KRWDZBQOSA-N 1 3 290.426 3.491 20 0 CGADHO C[C@H](CCN1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976478 393623554 /nfs/dbraw/zinc/62/35/54/393623554.db2.gz GOSMDRSMXUYRES-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO C(C1CCCCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489987518 393624558 /nfs/dbraw/zinc/62/45/58/393624558.db2.gz INGXWFLEISIBEK-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO c1cc2c(cc1CNC[C@@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000490577588 393646360 /nfs/dbraw/zinc/64/63/60/393646360.db2.gz GTLOULSKHUBIKX-INIZCTEOSA-N 1 3 284.447 3.139 20 0 CGADHO c1cc2c(cc1CNC[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000490577588 393646364 /nfs/dbraw/zinc/64/63/64/393646364.db2.gz GTLOULSKHUBIKX-INIZCTEOSA-N 1 3 284.447 3.139 20 0 CGADHO c1cc2c(cc1C[NH2+]C[C@@H]1CCN(C3CC3)C1)CCCC2 ZINC000490577588 393646370 /nfs/dbraw/zinc/64/63/70/393646370.db2.gz GTLOULSKHUBIKX-INIZCTEOSA-N 1 3 284.447 3.139 20 0 CGADHO CC1(C)CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])c2ccccc21 ZINC000423017324 393647702 /nfs/dbraw/zinc/64/77/02/393647702.db2.gz OLTUTOQUNRKOFG-XOKHGSTOSA-N 1 3 272.436 3.311 20 0 CGADHO CC(C)[C@@H]1C[C@@H](CN[C@H]2CCC[C@@H]2[NH3+])c2ccccc21 ZINC000423085783 393650165 /nfs/dbraw/zinc/65/01/65/393650165.db2.gz LJJVRSNECPBDFV-MGHWNKPDSA-N 1 3 272.436 3.383 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423098054 393650678 /nfs/dbraw/zinc/65/06/78/393650678.db2.gz JVDNRTJRZSKNQJ-YKWDICOMSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC(C)(c2ccccc2)C1 ZINC000423098054 393650684 /nfs/dbraw/zinc/65/06/84/393650684.db2.gz JVDNRTJRZSKNQJ-YKWDICOMSA-N 1 3 272.436 3.084 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423135472 393651638 /nfs/dbraw/zinc/65/16/38/393651638.db2.gz YFMIJKOFBXQSRO-FDYHWXHSSA-N 1 3 278.362 3.072 20 0 CGADHO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423160126 393653446 /nfs/dbraw/zinc/65/34/46/393653446.db2.gz GYZKPNCVJSYULL-QBPKDAKJSA-N 1 3 274.408 3.069 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423294536 393659317 /nfs/dbraw/zinc/65/93/17/393659317.db2.gz UQZRGUVXICLYLH-CYBMUJFWSA-N 1 3 264.413 3.172 20 0 CGADHO CCCC[C@H](CN)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423297170 393660550 /nfs/dbraw/zinc/66/05/50/393660550.db2.gz JASDXEAQBIGILX-RISCZKNCSA-N 1 3 282.428 3.470 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000423351190 393662582 /nfs/dbraw/zinc/66/25/82/393662582.db2.gz YROVGEVWMDNTIW-OAGGEKHMSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423474588 393670120 /nfs/dbraw/zinc/67/01/20/393670120.db2.gz RKWFJSVBUFDIPR-YGRLFVJLSA-N 1 3 297.240 3.153 20 0 CGADHO NC1(C[NH2+]C2CCC3(CC3)CC2)C2CC3CC(C2)CC1C3 ZINC000423522827 393671466 /nfs/dbraw/zinc/67/14/66/393671466.db2.gz HQNCYAMIIPKTRZ-UHFFFAOYSA-N 1 3 288.479 3.452 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCNC2CC2)c2ccccc21 ZINC000423516637 393672357 /nfs/dbraw/zinc/67/23/57/393672357.db2.gz AYFUGYXCIDNQOU-DYVFJYSZSA-N 1 3 258.409 3.357 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)NC1CC[NH+](C(C)C)CC1 ZINC000437100744 393718290 /nfs/dbraw/zinc/71/82/90/393718290.db2.gz SUXKQRKKODHKKM-CYBMUJFWSA-N 1 3 280.378 3.426 20 0 CGADHO Cc1cc2cc(CN[C@H]3CC34CC[NH2+]CC4)oc2cc1C ZINC000666952427 542828477 /nfs/dbraw/zinc/82/84/77/542828477.db2.gz VZQOUXKQFDWRJD-KRWDZBQOSA-N 1 3 284.403 3.281 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995190 542832261 /nfs/dbraw/zinc/83/22/61/542832261.db2.gz FSFWFLLDPNQOJB-CABCVRRESA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000449433755 393880841 /nfs/dbraw/zinc/88/08/41/393880841.db2.gz NRUSUZSMFHCKFF-LVQVYYBASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995197 542832523 /nfs/dbraw/zinc/83/25/23/542832523.db2.gz FVEXZVMNBKOVOJ-HIFRSBDPSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@H](CCc1ccsc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995197 542832524 /nfs/dbraw/zinc/83/25/24/542832524.db2.gz FVEXZVMNBKOVOJ-HIFRSBDPSA-N 1 3 278.465 3.334 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666997065 542833574 /nfs/dbraw/zinc/83/35/74/542833574.db2.gz UZNQAPIEDCSBLQ-INIZCTEOSA-N 1 3 272.436 3.229 20 0 CGADHO CC(C)(CN[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666997065 542833578 /nfs/dbraw/zinc/83/35/78/542833578.db2.gz UZNQAPIEDCSBLQ-INIZCTEOSA-N 1 3 272.436 3.229 20 0 CGADHO C1CC1[C@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995381 542833949 /nfs/dbraw/zinc/83/39/49/542833949.db2.gz MHXNGWPSHSUGFT-JYJNAYRXSA-N 1 3 262.441 3.220 20 0 CGADHO Cc1ccc([C@@H](C)NCCCC[N@H+](C)C2CC2)o1 ZINC000453428061 394243642 /nfs/dbraw/zinc/24/36/42/394243642.db2.gz OZNLREDHVOHUGF-CYBMUJFWSA-N 1 3 250.386 3.113 20 0 CGADHO Cc1ccc([C@@H](C)NCCCC[N@@H+](C)C2CC2)o1 ZINC000453428061 394243646 /nfs/dbraw/zinc/24/36/46/394243646.db2.gz OZNLREDHVOHUGF-CYBMUJFWSA-N 1 3 250.386 3.113 20 0 CGADHO COc1ccc([C@@H](C)NCCCC[N@H+](C)C2CC2)c(F)c1 ZINC000453427143 394243760 /nfs/dbraw/zinc/24/37/60/394243760.db2.gz ONEZAOARNJELBA-CYBMUJFWSA-N 1 3 294.414 3.359 20 0 CGADHO COc1ccc([C@@H](C)NCCCC[N@@H+](C)C2CC2)c(F)c1 ZINC000453427143 394243765 /nfs/dbraw/zinc/24/37/65/394243765.db2.gz ONEZAOARNJELBA-CYBMUJFWSA-N 1 3 294.414 3.359 20 0 CGADHO C[N@H+](CCCCNCc1ccccc1Cl)C1CC1 ZINC000453592448 394252549 /nfs/dbraw/zinc/25/25/49/394252549.db2.gz FFCPMFMDIRCYPE-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO C[N@@H+](CCCCNCc1ccccc1Cl)C1CC1 ZINC000453592448 394252552 /nfs/dbraw/zinc/25/25/52/394252552.db2.gz FFCPMFMDIRCYPE-UHFFFAOYSA-N 1 3 266.816 3.304 20 0 CGADHO CC1=CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000668513559 543021608 /nfs/dbraw/zinc/02/16/08/543021608.db2.gz UGAJWMBUUZNXQZ-LJQANCHMSA-N 1 3 299.462 3.382 20 0 CGADHO C[C@@]1(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1(F)F ZINC000668584285 543030538 /nfs/dbraw/zinc/03/05/38/543030538.db2.gz QUEBVSIWFJGCSH-OAHLLOKOSA-N 1 3 295.377 3.075 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000668819925 543066217 /nfs/dbraw/zinc/06/62/17/543066217.db2.gz QQQDBOUXOKSZHI-DOTOQJQBSA-N 1 3 266.473 3.380 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCCNC2)C(C)C)cc1 ZINC000423210563 292108786 /nfs/dbraw/zinc/10/87/86/292108786.db2.gz JWORYLVGUUDPHU-ZWKOTPCHSA-N 1 3 274.452 3.151 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394842808 397696322 /nfs/dbraw/zinc/69/63/22/397696322.db2.gz ZZGVHLPXXXPTEA-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)N2 ZINC000650761395 397911787 /nfs/dbraw/zinc/91/17/87/397911787.db2.gz ZBLPMCQKNXOPKT-FGTMMUONSA-N 1 3 299.462 3.020 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@H]1CC[N@H+]3CCC[C@@H]3C1)N2 ZINC000650761395 397911791 /nfs/dbraw/zinc/91/17/91/397911791.db2.gz ZBLPMCQKNXOPKT-FGTMMUONSA-N 1 3 299.462 3.020 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422806000 296576713 /nfs/dbraw/zinc/57/67/13/296576713.db2.gz HOKKURCIAUPCKS-NVXWUHKLSA-N 1 3 272.436 3.086 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239976 543441432 /nfs/dbraw/zinc/44/14/32/543441432.db2.gz BUBZXCNRURAKLR-SJORKVTESA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239976 543441433 /nfs/dbraw/zinc/44/14/33/543441433.db2.gz BUBZXCNRURAKLR-SJORKVTESA-N 1 3 290.426 3.320 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678119862 543484988 /nfs/dbraw/zinc/48/49/88/543484988.db2.gz BAKOBSMUHHHCNB-KRWDZBQOSA-N 1 3 290.451 3.392 20 0 CGADHO CC[C@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678119862 543484991 /nfs/dbraw/zinc/48/49/91/543484991.db2.gz BAKOBSMUHHHCNB-KRWDZBQOSA-N 1 3 290.451 3.392 20 0 CGADHO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678137714 543486604 /nfs/dbraw/zinc/48/66/04/543486604.db2.gz SVVNBKSKDAMJSM-OAHLLOKOSA-N 1 3 278.440 3.103 20 0 CGADHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678137714 543486607 /nfs/dbraw/zinc/48/66/07/543486607.db2.gz SVVNBKSKDAMJSM-OAHLLOKOSA-N 1 3 278.440 3.103 20 0 CGADHO C[NH+](C)CCC1CCN(Cc2nccc3ccccc32)CC1 ZINC000678208584 543493123 /nfs/dbraw/zinc/49/31/23/543493123.db2.gz QMKTYHBKJDFDRG-UHFFFAOYSA-N 1 3 297.446 3.399 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000678605553 543543632 /nfs/dbraw/zinc/54/36/32/543543632.db2.gz QGQNSTOHVZFKJU-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000678590829 543539497 /nfs/dbraw/zinc/53/94/97/543539497.db2.gz KMXWTYZGJTVTPP-SNRMKQJTSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000678590829 543539499 /nfs/dbraw/zinc/53/94/99/543539499.db2.gz KMXWTYZGJTVTPP-SNRMKQJTSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CCN3CCC[C@H]3C1)C2 ZINC000678590829 543539500 /nfs/dbraw/zinc/53/95/00/543539500.db2.gz KMXWTYZGJTVTPP-SNRMKQJTSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@H](N[C@@H]1COc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000678598005 543540791 /nfs/dbraw/zinc/54/07/91/543540791.db2.gz OJSAETNDKOAZBT-XHDPSFHLSA-N 1 3 294.826 3.093 20 0 CGADHO CCC[NH+]1CCC(NCCc2ccccc2OCC)CC1 ZINC000678772909 543556683 /nfs/dbraw/zinc/55/66/83/543556683.db2.gz HNFOQRSINDZISS-UHFFFAOYSA-N 1 3 290.451 3.092 20 0 CGADHO COCC1(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCCC1 ZINC000423157435 292246526 /nfs/dbraw/zinc/24/65/26/292246526.db2.gz BAVLZFJOFCLPDG-HOTGVXAUSA-N 1 3 282.472 3.094 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000423276249 286370177 /nfs/dbraw/zinc/37/01/77/286370177.db2.gz MVXNEHQSIKTIKN-JJRVBVJISA-N 1 3 276.424 3.172 20 0 CGADHO C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000423450544 298399482 /nfs/dbraw/zinc/39/94/82/298399482.db2.gz HKPBSGIQFPGTAY-DYVFJYSZSA-N 1 3 287.382 3.027 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)CCO1 ZINC000070344086 165057618 /nfs/dbraw/zinc/05/76/18/165057618.db2.gz LAEJBKBIACCVOW-ZACQAIPSSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]1C[C@H](NCc2cc[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000086256627 165183405 /nfs/dbraw/zinc/18/34/05/165183405.db2.gz RHGHJDFJOXNQNZ-CRAIPNDOSA-N 1 3 283.419 3.157 20 0 CGADHO C[C@@H]1C[C@H](NCc2cc[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000086256627 165183406 /nfs/dbraw/zinc/18/34/06/165183406.db2.gz RHGHJDFJOXNQNZ-CRAIPNDOSA-N 1 3 283.419 3.157 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc2ccccc21 ZINC000089150538 165198587 /nfs/dbraw/zinc/19/85/87/165198587.db2.gz YZKMVQDGKIYLDU-PBHICJAKSA-N 1 3 254.377 3.057 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000089150538 165198592 /nfs/dbraw/zinc/19/85/92/165198592.db2.gz YZKMVQDGKIYLDU-PBHICJAKSA-N 1 3 254.377 3.057 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1cc2ccccc2o1 ZINC000090076656 165224394 /nfs/dbraw/zinc/22/43/94/165224394.db2.gz RBLCVDIAQPJGGF-JKIFEVAISA-N 1 3 286.419 3.294 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1cc2ccccc2o1 ZINC000090076656 165224396 /nfs/dbraw/zinc/22/43/96/165224396.db2.gz RBLCVDIAQPJGGF-JKIFEVAISA-N 1 3 286.419 3.294 20 0 CGADHO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(OCCN(C)C)cc1 ZINC000090036070 165224493 /nfs/dbraw/zinc/22/44/93/165224493.db2.gz QBEUOMPRZISPQH-RDJZCZTQSA-N 1 3 288.435 3.386 20 0 CGADHO C[N@H+](Cc1cccc2ccccc21)CC(C)(C)CN ZINC000093861171 165341267 /nfs/dbraw/zinc/34/12/67/165341267.db2.gz FTZJZMCBLNWYLF-UHFFFAOYSA-N 1 3 256.393 3.257 20 0 CGADHO C[N@@H+](Cc1cccc2ccccc21)CC(C)(C)CN ZINC000093861171 165341269 /nfs/dbraw/zinc/34/12/69/165341269.db2.gz FTZJZMCBLNWYLF-UHFFFAOYSA-N 1 3 256.393 3.257 20 0 CGADHO CN(Cc1cccc2ccccc21)CC(C)(C)C[NH3+] ZINC000093861171 165341272 /nfs/dbraw/zinc/34/12/72/165341272.db2.gz FTZJZMCBLNWYLF-UHFFFAOYSA-N 1 3 256.393 3.257 20 0 CGADHO Cc1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000094183110 165346481 /nfs/dbraw/zinc/34/64/81/165346481.db2.gz OQMUIXNNVCGSBT-CEXWTWQISA-N 1 3 286.463 3.438 20 0 CGADHO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000094183110 165346484 /nfs/dbraw/zinc/34/64/84/165346484.db2.gz OQMUIXNNVCGSBT-CEXWTWQISA-N 1 3 286.463 3.438 20 0 CGADHO CC[NH+]1CCC(NCc2ccc(C3CC3)cc2)CC1 ZINC000094519295 165351775 /nfs/dbraw/zinc/35/17/75/165351775.db2.gz QRCXZWRTKPABMX-UHFFFAOYSA-N 1 3 258.409 3.138 20 0 CGADHO C[C@H]1C[C@H](N(C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123261893 287217666 /nfs/dbraw/zinc/21/76/66/287217666.db2.gz XAYXNDLWNASXHH-DZGCQCFKSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@H]1C[C@H](N(C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123261893 287217669 /nfs/dbraw/zinc/21/76/69/287217669.db2.gz XAYXNDLWNASXHH-DZGCQCFKSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020121874 171001529 /nfs/dbraw/zinc/00/15/29/171001529.db2.gz GCYXHLZQNOZYNM-NSHDSACASA-N 1 3 252.789 3.085 20 0 CGADHO CCOc1ccc(C[NH2+]CCCN2CCCCC2)cc1 ZINC000020128699 171016749 /nfs/dbraw/zinc/01/67/49/171016749.db2.gz UZMZBOUQMNNWLH-UHFFFAOYSA-N 1 3 276.424 3.051 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(C)s2)CC1 ZINC000125737377 287249657 /nfs/dbraw/zinc/24/96/57/287249657.db2.gz MDAZHVTVIDIKDW-UHFFFAOYSA-N 1 3 295.496 3.395 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(C)s2)CC1 ZINC000125737377 287249660 /nfs/dbraw/zinc/24/96/60/287249660.db2.gz MDAZHVTVIDIKDW-UHFFFAOYSA-N 1 3 295.496 3.395 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1CCC([NH3+])CC1 ZINC000020521571 171234933 /nfs/dbraw/zinc/23/49/33/171234933.db2.gz QTAMNYUYNKXTEH-CYBMUJFWSA-N 1 3 254.377 3.324 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(Cl)c1)C2 ZINC000285513328 196310774 /nfs/dbraw/zinc/31/07/74/196310774.db2.gz NSFDMHIROIWJRM-XYPWUTKMSA-N 1 3 278.827 3.397 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(Cl)c1)C2 ZINC000285513328 196310776 /nfs/dbraw/zinc/31/07/76/196310776.db2.gz NSFDMHIROIWJRM-XYPWUTKMSA-N 1 3 278.827 3.397 20 0 CGADHO Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1F ZINC000285568275 196329475 /nfs/dbraw/zinc/32/94/75/196329475.db2.gz VZNUZAUKFCCOQR-YUKKFKLSSA-N 1 3 292.373 3.052 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@]2(C)CCOC2)CC1 ZINC000358713269 287288401 /nfs/dbraw/zinc/28/84/01/287288401.db2.gz KDXKBQZHPXOYCI-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000358713269 287288405 /nfs/dbraw/zinc/28/84/05/287288405.db2.gz KDXKBQZHPXOYCI-BPQIPLTHSA-N 1 3 294.483 3.046 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000400174456 416545186 /nfs/dbraw/zinc/54/51/86/416545186.db2.gz OYRWNITZXFXWHD-IRKLFDGPSA-N 1 3 262.441 3.029 20 0 CGADHO C[C@H]1CCCN(Cc2cc3ccccc3o2)[C@@H]1CC[NH3+] ZINC000404283313 416551788 /nfs/dbraw/zinc/55/17/88/416551788.db2.gz QVBBOVJWWXKUNR-XJKSGUPXSA-N 1 3 272.392 3.382 20 0 CGADHO CC[C@@H]1CN(CCCOc2ccc(C)c(C)c2)CC[C@@H]1[NH3+] ZINC000122907833 416505713 /nfs/dbraw/zinc/50/57/13/416505713.db2.gz VZGGZQGDTDQBRT-AEFFLSMTSA-N 1 3 290.451 3.132 20 0 CGADHO CC[C@H]1CN(Cc2cc(C)nc3ccccc23)CC[C@@H]1[NH3+] ZINC000134105710 416517394 /nfs/dbraw/zinc/51/73/94/416517394.db2.gz UWDBASZRZHDSRS-YOEHRIQHSA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000130565223 287358383 /nfs/dbraw/zinc/35/83/83/287358383.db2.gz MYZMTCYFGJCUMC-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000130565223 287358385 /nfs/dbraw/zinc/35/83/85/287358385.db2.gz MYZMTCYFGJCUMC-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO c1cncc(C2CC[NH+](CCCN3CCCCC3)CC2)c1 ZINC000682029719 543817427 /nfs/dbraw/zinc/81/74/27/543817427.db2.gz SHKUFDXDYIGWLE-UHFFFAOYSA-N 1 3 287.451 3.137 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000682074600 543821979 /nfs/dbraw/zinc/82/19/79/543821979.db2.gz QELBEPRLCHVQHT-LPHOPBHVSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000682074600 543821982 /nfs/dbraw/zinc/82/19/82/543821982.db2.gz QELBEPRLCHVQHT-LPHOPBHVSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000682074600 543821984 /nfs/dbraw/zinc/82/19/84/543821984.db2.gz QELBEPRLCHVQHT-LPHOPBHVSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000682075806 543822195 /nfs/dbraw/zinc/82/21/95/543822195.db2.gz ZQEQSROKMXYEQH-CRAIPNDOSA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000682075806 543822198 /nfs/dbraw/zinc/82/21/98/543822198.db2.gz ZQEQSROKMXYEQH-CRAIPNDOSA-N 1 3 270.420 3.092 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000682075806 543822201 /nfs/dbraw/zinc/82/22/01/543822201.db2.gz ZQEQSROKMXYEQH-CRAIPNDOSA-N 1 3 270.420 3.092 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000131436661 287379932 /nfs/dbraw/zinc/37/99/32/287379932.db2.gz GATWEDIQGKMMCA-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CC[NH+](CC)CCCN[C@H](C)Cc1ccc(F)cc1 ZINC000131436661 287379935 /nfs/dbraw/zinc/37/99/35/287379935.db2.gz GATWEDIQGKMMCA-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCOC2CCCCCC2)[C@H](C)C1 ZINC000131563086 287383621 /nfs/dbraw/zinc/38/36/21/287383621.db2.gz UQEHNINKMWOMLW-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@H+]1CC[C@H](NCCOC2CCCCCC2)[C@H](C)C1 ZINC000131563086 287383623 /nfs/dbraw/zinc/38/36/23/287383623.db2.gz UQEHNINKMWOMLW-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000429534117 287394872 /nfs/dbraw/zinc/39/48/72/287394872.db2.gz COZAXWGKFPFMLT-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000429534117 287394874 /nfs/dbraw/zinc/39/48/74/287394874.db2.gz COZAXWGKFPFMLT-BZUAXINKSA-N 1 3 252.446 3.229 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683767120 543939809 /nfs/dbraw/zinc/93/98/09/543939809.db2.gz BOOLTZJEVQPWLV-MRXNPFEDSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684426971 543999306 /nfs/dbraw/zinc/99/93/06/543999306.db2.gz XUWZPVKYRBFHIA-RDJZCZTQSA-N 1 3 290.451 3.153 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2cnccc2c1 ZINC000685462573 544074950 /nfs/dbraw/zinc/07/49/50/544074950.db2.gz VMPAAYZNHPVGEX-UHFFFAOYSA-N 1 3 285.435 3.399 20 0 CGADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471203 544079119 /nfs/dbraw/zinc/07/91/19/544079119.db2.gz XAXRCKSJVZUJDD-NVXWUHKLSA-N 1 3 290.451 3.390 20 0 CGADHO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685471203 544079121 /nfs/dbraw/zinc/07/91/21/544079121.db2.gz XAXRCKSJVZUJDD-NVXWUHKLSA-N 1 3 290.451 3.390 20 0 CGADHO CC[C@H](OCC[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000650741594 418936104 /nfs/dbraw/zinc/93/61/04/418936104.db2.gz GYWYFVHMNOEQFX-KSZLIROESA-N 1 3 290.451 3.261 20 0 CGADHO CC[C@H](OCCN[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000650741594 418936106 /nfs/dbraw/zinc/93/61/06/418936106.db2.gz GYWYFVHMNOEQFX-KSZLIROESA-N 1 3 290.451 3.261 20 0 CGADHO CC[C@H](OCCN[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000652236373 418940479 /nfs/dbraw/zinc/94/04/79/418940479.db2.gz KOAOGHKQHLJWOB-NJAFHUGGSA-N 1 3 290.451 3.227 20 0 CGADHO CC[C@H](OCCN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000652236373 418940485 /nfs/dbraw/zinc/94/04/85/418940485.db2.gz KOAOGHKQHLJWOB-NJAFHUGGSA-N 1 3 290.451 3.227 20 0 CGADHO C[C@H]1CCC[N@H+](CCCc2ccsc2)[C@@H]1CCN ZINC000652356016 418956498 /nfs/dbraw/zinc/95/64/98/418956498.db2.gz QFXRZDSUBDVVOI-DZGCQCFKSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCc2ccsc2)[C@@H]1CCN ZINC000652356016 418956500 /nfs/dbraw/zinc/95/65/00/418956500.db2.gz QFXRZDSUBDVVOI-DZGCQCFKSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@H]1CCCN(CCCc2ccsc2)[C@@H]1CC[NH3+] ZINC000652356016 418956503 /nfs/dbraw/zinc/95/65/03/418956503.db2.gz QFXRZDSUBDVVOI-DZGCQCFKSA-N 1 3 266.454 3.130 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653564143 419049988 /nfs/dbraw/zinc/04/99/88/419049988.db2.gz RGFBFNCQEQVRPY-OAHLLOKOSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653564143 419049992 /nfs/dbraw/zinc/04/99/92/419049992.db2.gz RGFBFNCQEQVRPY-OAHLLOKOSA-N 1 3 266.473 3.476 20 0 CGADHO CO[C@H](CN1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943359 419039151 /nfs/dbraw/zinc/03/91/51/419039151.db2.gz BLOCZPWNUBHBAY-ZWKOTPCHSA-N 1 3 294.483 3.142 20 0 CGADHO C(C[NH+]1CCC(N2CCCCC2)CC1)C1CCC1 ZINC000659846452 419009537 /nfs/dbraw/zinc/00/95/37/419009537.db2.gz OPGQRSAYXSEEJJ-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000665234453 419086992 /nfs/dbraw/zinc/08/69/92/419086992.db2.gz DAOGFFRUEQSNLK-OAGGEKHMSA-N 1 3 264.388 3.006 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CNCCC[NH+]1CCC1 ZINC000655754505 419088222 /nfs/dbraw/zinc/08/82/22/419088222.db2.gz YYHFAMOBMWHFTJ-UHFFFAOYSA-N 1 3 286.341 3.199 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)C[C@@H](C)C1 ZINC000665239220 419088452 /nfs/dbraw/zinc/08/84/52/419088452.db2.gz OBWXJGOWKSOKDY-ZVDSWSACSA-N 1 3 252.446 3.036 20 0 CGADHO CC(C)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000665241441 419089232 /nfs/dbraw/zinc/08/92/32/419089232.db2.gz MPNOWCUQCUIRMT-ZENOOKHLSA-N 1 3 264.388 3.382 20 0 CGADHO CCC[C@@H]([NH2+]CC1(N)CCCC1)c1ccsc1 ZINC000665248178 419090326 /nfs/dbraw/zinc/09/03/26/419090326.db2.gz QZGBXDKHRXTGBE-CYBMUJFWSA-N 1 3 252.427 3.450 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1(F)F ZINC000665274630 419097686 /nfs/dbraw/zinc/09/76/86/419097686.db2.gz URPSTVZZDJUINS-UPJWGTAASA-N 1 3 266.335 3.012 20 0 CGADHO CCc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)s1 ZINC000665281052 419101514 /nfs/dbraw/zinc/10/15/14/419101514.db2.gz SNYNYVVJGIZSRM-DGCLKSJQSA-N 1 3 254.443 3.335 20 0 CGADHO CCOc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279704 419101821 /nfs/dbraw/zinc/10/18/21/419101821.db2.gz KGJQMXQDFVXFHP-CZUORRHYSA-N 1 3 264.413 3.109 20 0 CGADHO CCO[C@H]1C[C@@H](NCC[C@@H]([NH3+])C(C)C)C12CCCCC2 ZINC000665280784 419101882 /nfs/dbraw/zinc/10/18/82/419101882.db2.gz LFPPCCQHBGEDFV-OAGGEKHMSA-N 1 3 282.472 3.077 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]CC[C@@H](N)C(C)C)C12CCCCC2 ZINC000665280784 419101886 /nfs/dbraw/zinc/10/18/86/419101886.db2.gz LFPPCCQHBGEDFV-OAGGEKHMSA-N 1 3 282.472 3.077 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000665299249 419111363 /nfs/dbraw/zinc/11/13/63/419111363.db2.gz JISZWEYGWXVPKE-HFTRVMKXSA-N 1 3 272.436 3.071 20 0 CGADHO C[C@@H]([NH2+]CCC1CCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000660257488 419114040 /nfs/dbraw/zinc/11/40/40/419114040.db2.gz UIGXXRBZOBQZEA-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655682406 419062805 /nfs/dbraw/zinc/06/28/05/419062805.db2.gz DVCBKBFMURWTSD-KRWDZBQOSA-N 1 3 272.436 3.365 20 0 CGADHO CSc1ccccc1[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198732 419148455 /nfs/dbraw/zinc/14/84/55/419148455.db2.gz FTFIIBLVZZGPJL-FRRDWIJNSA-N 1 3 264.438 3.329 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197434 419148724 /nfs/dbraw/zinc/14/87/24/419148724.db2.gz IYQBEMPUHCQLTA-IRXDYDNUSA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000656197434 419148728 /nfs/dbraw/zinc/14/87/28/419148728.db2.gz IYQBEMPUHCQLTA-IRXDYDNUSA-N 1 3 290.426 3.497 20 0 CGADHO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660654484 419177022 /nfs/dbraw/zinc/17/70/22/419177022.db2.gz GMDGDEUZOHETNY-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660654484 419177025 /nfs/dbraw/zinc/17/70/25/419177025.db2.gz GMDGDEUZOHETNY-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660989 419177601 /nfs/dbraw/zinc/17/76/01/419177601.db2.gz YEOKUDQJMDCSCX-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660989 419177603 /nfs/dbraw/zinc/17/76/03/419177603.db2.gz YEOKUDQJMDCSCX-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660654972 419178188 /nfs/dbraw/zinc/17/81/88/419178188.db2.gz JQPAWBFDSCAMFU-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660654972 419178190 /nfs/dbraw/zinc/17/81/90/419178190.db2.gz JQPAWBFDSCAMFU-SFHVURJKSA-N 1 3 272.436 3.221 20 0 CGADHO CCc1ccccc1CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661785 419179073 /nfs/dbraw/zinc/17/90/73/419179073.db2.gz GQLAKYSNZMQBBJ-IBGZPJMESA-N 1 3 286.463 3.209 20 0 CGADHO CCc1ccccc1CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661785 419179075 /nfs/dbraw/zinc/17/90/75/419179075.db2.gz GQLAKYSNZMQBBJ-IBGZPJMESA-N 1 3 286.463 3.209 20 0 CGADHO CC[C@H]1C[C@@H](NCc2ccccc2C[N@H+](C)C(C)C)CO1 ZINC000657308007 419247742 /nfs/dbraw/zinc/24/77/42/419247742.db2.gz LOTZCKVCIUBPPF-MSOLQXFVSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@H]1C[C@@H](NCc2ccccc2C[N@@H+](C)C(C)C)CO1 ZINC000657308007 419247745 /nfs/dbraw/zinc/24/77/45/419247745.db2.gz LOTZCKVCIUBPPF-MSOLQXFVSA-N 1 3 290.451 3.184 20 0 CGADHO C(CN1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCCCC1 ZINC000661873265 419310117 /nfs/dbraw/zinc/31/01/17/419310117.db2.gz DTBWFSXBCYJIPO-ROUUACIJSA-N 1 3 294.483 3.144 20 0 CGADHO CSC1(C[NH2+]C[C@@H]2CCCN(CC(C)C)C2)CCC1 ZINC000356088887 228115953 /nfs/dbraw/zinc/11/59/53/228115953.db2.gz CVXCZIDWSWFKAX-HNNXBMFYSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000356088887 228115956 /nfs/dbraw/zinc/11/59/56/228115956.db2.gz CVXCZIDWSWFKAX-HNNXBMFYSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)CCC1 ZINC000356088887 228115957 /nfs/dbraw/zinc/11/59/57/228115957.db2.gz CVXCZIDWSWFKAX-HNNXBMFYSA-N 1 3 284.513 3.230 20 0 CGADHO CC(C)[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178158468 287537695 /nfs/dbraw/zinc/53/76/95/287537695.db2.gz ZFYLRMVQEDKNPM-AWEZNQCLSA-N 1 3 252.446 3.275 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662198921 419359170 /nfs/dbraw/zinc/35/91/70/419359170.db2.gz XNPKSPJLCQPFMZ-IRXDYDNUSA-N 1 3 272.436 3.133 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662198921 419359175 /nfs/dbraw/zinc/35/91/75/419359175.db2.gz XNPKSPJLCQPFMZ-IRXDYDNUSA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198921 419359178 /nfs/dbraw/zinc/35/91/78/419359178.db2.gz XNPKSPJLCQPFMZ-IRXDYDNUSA-N 1 3 272.436 3.133 20 0 CGADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCc2ccccc21 ZINC000662198921 419359182 /nfs/dbraw/zinc/35/91/82/419359182.db2.gz XNPKSPJLCQPFMZ-IRXDYDNUSA-N 1 3 272.436 3.133 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cc3cnccc3o2)C1 ZINC000657864409 419393602 /nfs/dbraw/zinc/39/36/02/419393602.db2.gz ZZZPOKYEOLKYCD-KGLIPLIRSA-N 1 3 287.407 3.210 20 0 CGADHO C[NH2+]CC1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000662245160 419372862 /nfs/dbraw/zinc/37/28/62/419372862.db2.gz IAPDYDQBHSNNDA-UHFFFAOYSA-N 1 3 298.883 3.364 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc2c1CCNC2 ZINC000662257311 419374364 /nfs/dbraw/zinc/37/43/64/419374364.db2.gz MARYAHZOSRVXBD-QGZVFWFLSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc2c1CCNC2 ZINC000662257311 419374367 /nfs/dbraw/zinc/37/43/67/419374367.db2.gz MARYAHZOSRVXBD-QGZVFWFLSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264468 419375834 /nfs/dbraw/zinc/37/58/34/419375834.db2.gz DNBJFDMSEWJLMJ-DZGCQCFKSA-N 1 3 260.425 3.153 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CCCSCC1)C(C)C ZINC000657901616 419426931 /nfs/dbraw/zinc/42/69/31/419426931.db2.gz ZSVAHEYRCYEJNF-OAHLLOKOSA-N 1 3 272.502 3.371 20 0 CGADHO CC(C)N(CCC[NH2+][C@@H]1CCCSCC1)C(C)C ZINC000657901616 419426937 /nfs/dbraw/zinc/42/69/37/419426937.db2.gz ZSVAHEYRCYEJNF-OAHLLOKOSA-N 1 3 272.502 3.371 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H](C)C(C)(C)C(F)F ZINC000658043672 419518316 /nfs/dbraw/zinc/51/83/16/419518316.db2.gz QOUWFQUYGJORBX-LBPRGKRZSA-N 1 3 264.404 3.234 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)C(C)(C)C(F)F ZINC000658043672 419518319 /nfs/dbraw/zinc/51/83/19/419518319.db2.gz QOUWFQUYGJORBX-LBPRGKRZSA-N 1 3 264.404 3.234 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658043672 419518322 /nfs/dbraw/zinc/51/83/22/419518322.db2.gz QOUWFQUYGJORBX-LBPRGKRZSA-N 1 3 264.404 3.234 20 0 CGADHO CCC[C@H](C)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663346247 419566345 /nfs/dbraw/zinc/56/63/45/419566345.db2.gz RPOGIVSTZCDQLO-GOEBONIOSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@H]1CC1(C)C ZINC000663344362 419567383 /nfs/dbraw/zinc/56/73/83/419567383.db2.gz RVNXCADLOBOZAR-NUEKZKHPSA-N 1 3 264.457 3.133 20 0 CGADHO CCC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168474 419634240 /nfs/dbraw/zinc/63/42/40/419634240.db2.gz XJTXWQNXTVUSPN-OAHLLOKOSA-N 1 3 275.440 3.072 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000663502069 419635019 /nfs/dbraw/zinc/63/50/19/419635019.db2.gz FECGNDYSBXHLPW-SVGFKBNWSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000663502069 419635025 /nfs/dbraw/zinc/63/50/25/419635025.db2.gz FECGNDYSBXHLPW-SVGFKBNWSA-N 1 3 260.425 3.142 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1cc2ccccc2s1 ZINC000663498492 419636807 /nfs/dbraw/zinc/63/68/07/419636807.db2.gz NOEFQLNBUHNOMR-CQSZACIVSA-N 1 3 262.422 3.364 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000663503297 419639256 /nfs/dbraw/zinc/63/92/56/419639256.db2.gz NSKAMJIJEDGJBR-PBHICJAKSA-N 1 3 258.409 3.104 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663471782 419624012 /nfs/dbraw/zinc/62/40/12/419624012.db2.gz YCYRMAGDCQXIPN-JKSUJKDBSA-N 1 3 264.457 3.277 20 0 CGADHO c1cc2c(ccnc2N2CCCC[C@@H]([NH+]3CCCC3)C2)[nH]1 ZINC000663577706 419652559 /nfs/dbraw/zinc/65/25/59/419652559.db2.gz RZQHBJRKUVIYKY-CQSZACIVSA-N 1 3 284.407 3.018 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000085386160 260203268 /nfs/dbraw/zinc/20/32/68/260203268.db2.gz UFTAORSVOZSVSD-GJZGRUSLSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)CN1CCCC1 ZINC000222446996 260220324 /nfs/dbraw/zinc/22/03/24/260220324.db2.gz RWQXXFGBTXTZNS-MCIONIFRSA-N 1 3 292.389 3.429 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC000221826206 262301486 /nfs/dbraw/zinc/30/14/86/262301486.db2.gz VDXVJLXJTIXIBT-INIZCTEOSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)NCCC[NH+]1CCC(C)CC1 ZINC000221826206 262301487 /nfs/dbraw/zinc/30/14/87/262301487.db2.gz VDXVJLXJTIXIBT-INIZCTEOSA-N 1 3 292.442 3.468 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCN2CCCC2)c1 ZINC000021506036 262389468 /nfs/dbraw/zinc/38/94/68/262389468.db2.gz LQVNYEVCCFIPIZ-INIZCTEOSA-N 1 3 260.425 3.440 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044535709 270036014 /nfs/dbraw/zinc/03/60/14/270036014.db2.gz XWBSGYJGYCKGHY-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044535709 270036015 /nfs/dbraw/zinc/03/60/15/270036015.db2.gz XWBSGYJGYCKGHY-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000186226186 270065262 /nfs/dbraw/zinc/06/52/62/270065262.db2.gz BEPHYSQARCAHDF-CQSZACIVSA-N 1 3 260.425 3.417 20 0 CGADHO CC(C)[N@H+](C)CCCNC1CC(c2ccccc2)C1 ZINC000228812779 270087824 /nfs/dbraw/zinc/08/78/24/270087824.db2.gz PDJUKRIYEAAUPR-UHFFFAOYSA-N 1 3 260.425 3.253 20 0 CGADHO CC(C)[N@@H+](C)CCCNC1CC(c2ccccc2)C1 ZINC000228812779 270087825 /nfs/dbraw/zinc/08/78/25/270087825.db2.gz PDJUKRIYEAAUPR-UHFFFAOYSA-N 1 3 260.425 3.253 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CC(c2ccccc2)C1 ZINC000228812779 270087826 /nfs/dbraw/zinc/08/78/26/270087826.db2.gz PDJUKRIYEAAUPR-UHFFFAOYSA-N 1 3 260.425 3.253 20 0 CGADHO CC[N@@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000523297409 270108256 /nfs/dbraw/zinc/10/82/56/270108256.db2.gz RENAGIWBAAFIOH-JBXOJTMHSA-N 1 3 258.409 3.021 20 0 CGADHO CC[N@H+]1CC[C@H](CNC/C(C)=C\c2ccccc2)C1 ZINC000523297409 270108257 /nfs/dbraw/zinc/10/82/57/270108257.db2.gz RENAGIWBAAFIOH-JBXOJTMHSA-N 1 3 258.409 3.021 20 0 CGADHO CCN1CC[C@H](C[NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000523297409 270108258 /nfs/dbraw/zinc/10/82/58/270108258.db2.gz RENAGIWBAAFIOH-JBXOJTMHSA-N 1 3 258.409 3.021 20 0 CGADHO C[N@H+]1CC=C(CN[C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527877346 270141551 /nfs/dbraw/zinc/14/15/51/270141551.db2.gz VBJMEYUIWFVAEY-INIZCTEOSA-N 1 3 294.801 3.318 20 0 CGADHO C[N@@H+]1CC=C(CN[C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527877346 270141552 /nfs/dbraw/zinc/14/15/52/270141552.db2.gz VBJMEYUIWFVAEY-INIZCTEOSA-N 1 3 294.801 3.318 20 0 CGADHO CC(C)(NCC1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000530221531 270196457 /nfs/dbraw/zinc/19/64/57/270196457.db2.gz GAMZOSFGVZODDE-UHFFFAOYSA-N 1 3 289.448 3.121 20 0 CGADHO C1CC2(C1)NCC[C@@H]2[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000530219103 270196362 /nfs/dbraw/zinc/19/63/62/270196362.db2.gz ZCMJQCBILZTHCS-PREGVCBESA-N 1 3 292.467 3.131 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000531438227 270207035 /nfs/dbraw/zinc/20/70/35/270207035.db2.gz AGMNMMUFYFRGLL-TVFCKZIOSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)C1CCOCC1 ZINC000531688753 270208871 /nfs/dbraw/zinc/20/88/71/270208871.db2.gz IQUIOTWXUWBMSS-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000531935186 270210931 /nfs/dbraw/zinc/21/09/31/270210931.db2.gz RDTDYZYPTQEYDY-SFHVURJKSA-N 1 3 274.452 3.329 20 0 CGADHO CC[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1CCOCC1 ZINC000531989165 270212315 /nfs/dbraw/zinc/21/23/15/270212315.db2.gz IOXHUUZBGJAWIP-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734656 270219297 /nfs/dbraw/zinc/21/92/97/270219297.db2.gz ZPHMQQICKJSSLW-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC000532734656 270219298 /nfs/dbraw/zinc/21/92/98/270219298.db2.gz ZPHMQQICKJSSLW-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@H](N)C2CC2)c2sccc21 ZINC000423310681 274318130 /nfs/dbraw/zinc/31/81/30/274318130.db2.gz ARNVIZYWUUNPPY-ICCXJUOJSA-N 1 3 250.411 3.013 20 0 CGADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984726 275395560 /nfs/dbraw/zinc/39/55/60/275395560.db2.gz IBJXDJQTGZUZBO-BRWVUGGUSA-N 1 3 292.467 3.085 20 0 CGADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCCC2)O1 ZINC000299984726 275395561 /nfs/dbraw/zinc/39/55/61/275395561.db2.gz IBJXDJQTGZUZBO-BRWVUGGUSA-N 1 3 292.467 3.085 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCC(C(F)F)CC1 ZINC000423399469 276106757 /nfs/dbraw/zinc/10/67/57/276106757.db2.gz WETVXNJUFZYWKR-WXRRBKDZSA-N 1 3 274.399 3.178 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337333498 276221801 /nfs/dbraw/zinc/22/18/01/276221801.db2.gz JSVXJKMLDBXPOR-NUJGCVRESA-N 1 3 287.451 3.039 20 0 CGADHO CCC[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CCCC1 ZINC000423346780 276287152 /nfs/dbraw/zinc/28/71/52/276287152.db2.gz QFNIADPFHYTRPU-JKSUJKDBSA-N 1 3 252.446 3.325 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550333 276308059 /nfs/dbraw/zinc/30/80/59/276308059.db2.gz NVSGPPWYHJEQSM-HZPDHXFCSA-N 1 3 290.451 3.072 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550333 276308061 /nfs/dbraw/zinc/30/80/61/276308061.db2.gz NVSGPPWYHJEQSM-HZPDHXFCSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550333 276308063 /nfs/dbraw/zinc/30/80/63/276308063.db2.gz NVSGPPWYHJEQSM-HZPDHXFCSA-N 1 3 290.451 3.072 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000180550333 276308064 /nfs/dbraw/zinc/30/80/64/276308064.db2.gz NVSGPPWYHJEQSM-HZPDHXFCSA-N 1 3 290.451 3.072 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000474477353 276331053 /nfs/dbraw/zinc/33/10/53/276331053.db2.gz MJJRUXNSCFSYTF-FUHWJXTLSA-N 1 3 296.499 3.436 20 0 CGADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000087710355 276344309 /nfs/dbraw/zinc/34/43/09/276344309.db2.gz QPNRSYAYYGSDPW-HZPDHXFCSA-N 1 3 294.483 3.187 20 0 CGADHO CCS[C@H]1CCCCN(CCC[NH+](CC)CC)C1 ZINC000351269698 276399986 /nfs/dbraw/zinc/39/99/86/276399986.db2.gz MRIKDQWZKXXFFY-HNNXBMFYSA-N 1 3 272.502 3.326 20 0 CGADHO CCS[C@H]1CCCC[N@H+](CCCN(CC)CC)C1 ZINC000351269698 276399987 /nfs/dbraw/zinc/39/99/87/276399987.db2.gz MRIKDQWZKXXFFY-HNNXBMFYSA-N 1 3 272.502 3.326 20 0 CGADHO CCS[C@H]1CCCC[N@@H+](CCCN(CC)CC)C1 ZINC000351269698 276399989 /nfs/dbraw/zinc/39/99/89/276399989.db2.gz MRIKDQWZKXXFFY-HNNXBMFYSA-N 1 3 272.502 3.326 20 0 CGADHO CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CCCCC1 ZINC000423328218 276532949 /nfs/dbraw/zinc/53/29/49/276532949.db2.gz LVYDGHYJFAFFDI-HZPDHXFCSA-N 1 3 252.446 3.325 20 0 CGADHO CC[C@H](CSC)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253035936 287909289 /nfs/dbraw/zinc/90/92/89/287909289.db2.gz WUCJBOLJWDUDSW-MGPQQGTHSA-N 1 3 258.475 3.028 20 0 CGADHO C1[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000415120499 276853909 /nfs/dbraw/zinc/85/39/09/276853909.db2.gz YHNGADKSZJYTTH-AVEIZBFRSA-N 1 3 276.468 3.466 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cc3ccccc3o2)CC1 ZINC000355045582 277038302 /nfs/dbraw/zinc/03/83/02/277038302.db2.gz ACOHPJJTXWAJJD-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000355045582 277038303 /nfs/dbraw/zinc/03/83/03/277038303.db2.gz ACOHPJJTXWAJJD-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO C[NH+]1CCC2(CCCN2Cc2cc3ccccc3o2)CC1 ZINC000355045582 277038304 /nfs/dbraw/zinc/03/83/04/277038304.db2.gz ACOHPJJTXWAJJD-UHFFFAOYSA-N 1 3 284.403 3.493 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158501027 277069537 /nfs/dbraw/zinc/06/95/37/277069537.db2.gz WDPKRDACPDKNDM-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158501027 277069540 /nfs/dbraw/zinc/06/95/40/277069540.db2.gz WDPKRDACPDKNDM-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158501027 277069541 /nfs/dbraw/zinc/06/95/41/277069541.db2.gz WDPKRDACPDKNDM-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000158501027 277069542 /nfs/dbraw/zinc/06/95/42/277069542.db2.gz WDPKRDACPDKNDM-AEFFLSMTSA-N 1 3 295.430 3.151 20 0 CGADHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1C[C@@H]1C ZINC000321084378 287945341 /nfs/dbraw/zinc/94/53/41/287945341.db2.gz MFZZGIMTDQCJAG-YUTCNCBUSA-N 1 3 252.446 3.320 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000414848833 277282891 /nfs/dbraw/zinc/28/28/91/277282891.db2.gz XMOHMAFQZINUFG-XIRDDKMYSA-N 1 3 260.425 3.076 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414950496 277363898 /nfs/dbraw/zinc/36/38/98/277363898.db2.gz OQLLUBUNBRHTJI-VGWMRTNUSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000090586525 277392003 /nfs/dbraw/zinc/39/20/03/277392003.db2.gz QLBIHZHYBVGSIX-GJZGRUSLSA-N 1 3 252.446 3.133 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000449171927 277508924 /nfs/dbraw/zinc/50/89/24/277508924.db2.gz LGEMNHBTTDEDRL-FJBKBRRZSA-N 1 3 284.513 3.371 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000037374205 277730071 /nfs/dbraw/zinc/73/00/71/277730071.db2.gz DZYMVEVZOKPWFC-RKVPGOIHSA-N 1 3 287.451 3.465 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CCCC2CCCCC2)C1 ZINC000395119500 288006061 /nfs/dbraw/zinc/00/60/61/288006061.db2.gz STLDLNQMJMMSSY-MRXNPFEDSA-N 1 3 252.446 3.278 20 0 CGADHO CSC1(CN(C)CC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000356127372 278122412 /nfs/dbraw/zinc/12/24/12/278122412.db2.gz OBDZZVBERMUMMJ-AWEZNQCLSA-N 1 3 270.486 3.078 20 0 CGADHO CSC1(CN(C)CC[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000356127372 278122413 /nfs/dbraw/zinc/12/24/13/278122413.db2.gz OBDZZVBERMUMMJ-AWEZNQCLSA-N 1 3 270.486 3.078 20 0 CGADHO CC1(C)CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000311424932 278197152 /nfs/dbraw/zinc/19/71/52/278197152.db2.gz BJQZBJSCHJUVRH-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H](C)N(C/C=C/c2ccccc2)C[C@H]1C[NH3+] ZINC000397399769 288023350 /nfs/dbraw/zinc/02/33/50/288023350.db2.gz QPIUGDQNVBMDPD-VERIRKINSA-N 1 3 258.409 3.005 20 0 CGADHO C[C@@H](CC(C)(C)O)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449448113 278223456 /nfs/dbraw/zinc/22/34/56/278223456.db2.gz FCLFGPCDGHHQMQ-VYDXJSESSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@@H](CC(C)(C)O)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449448113 278223457 /nfs/dbraw/zinc/22/34/57/278223457.db2.gz FCLFGPCDGHHQMQ-VYDXJSESSA-N 1 3 296.499 3.169 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CNC1CCC2(CCOCC2)CC1 ZINC000414929584 278223571 /nfs/dbraw/zinc/22/35/71/278223571.db2.gz OUACEMAHVMTTBC-INIZCTEOSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000397396399 288023449 /nfs/dbraw/zinc/02/34/49/288023449.db2.gz PHNHAJVJMRXLNL-MGPQQGTHSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)C1CCSCC1 ZINC000186947419 278257500 /nfs/dbraw/zinc/25/75/00/278257500.db2.gz MKPRDFBLNVXJSO-HNNXBMFYSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000423363933 278283197 /nfs/dbraw/zinc/28/31/97/278283197.db2.gz CDGQKKBGCGJGAL-NYTXWWLZSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@H](NC1CCC(CSC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423156590 288034113 /nfs/dbraw/zinc/03/41/13/288034113.db2.gz LGIPTHYMYZBOOZ-WUCCLRPBSA-N 1 3 270.486 3.028 20 0 CGADHO CC[C@H]([NH2+]C1CCC(CSC)CC1)[C@@H]1CCCN1 ZINC000423156590 288034115 /nfs/dbraw/zinc/03/41/15/288034115.db2.gz LGIPTHYMYZBOOZ-WUCCLRPBSA-N 1 3 270.486 3.028 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccco1 ZINC000158199274 278343530 /nfs/dbraw/zinc/34/35/30/278343530.db2.gz ZWKVEXLUFHQZSS-OAHLLOKOSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1F ZINC000340472231 278343681 /nfs/dbraw/zinc/34/36/81/278343681.db2.gz HIOWMZWIKLFJRO-HUUCEWRRSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1F ZINC000340472231 278343684 /nfs/dbraw/zinc/34/36/84/278343684.db2.gz HIOWMZWIKLFJRO-HUUCEWRRSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000398035384 288037687 /nfs/dbraw/zinc/03/76/87/288037687.db2.gz ALPPWZGNJCMENI-AWEZNQCLSA-N 1 3 273.424 3.219 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000422792043 279082696 /nfs/dbraw/zinc/08/26/96/279082696.db2.gz WTEFQVZMGSYRGO-LBPRGKRZSA-N 1 3 275.440 3.468 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414920583 279097482 /nfs/dbraw/zinc/09/74/82/279097482.db2.gz ZRMJVCHDUPYSQN-JYJNAYRXSA-N 1 3 254.462 3.427 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CC1 ZINC000483314782 279121009 /nfs/dbraw/zinc/12/10/09/279121009.db2.gz MNDQAEZXOGFLPW-BPUTZDHNSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1c2cc(F)cc(F)c2CCN1CCC1CC[NH2+]CC1 ZINC000359221763 279130206 /nfs/dbraw/zinc/13/02/06/279130206.db2.gz XVMGQNXUTIDAQS-GFCCVEGCSA-N 1 3 294.389 3.274 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000422919397 279256588 /nfs/dbraw/zinc/25/65/88/279256588.db2.gz JUCBZETUINEQPC-KCJUWKMLSA-N 1 3 289.206 3.144 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCCS1 ZINC000157944660 279367273 /nfs/dbraw/zinc/36/72/73/279367273.db2.gz MFWPHTUFGZMUNB-ILXRZTDVSA-N 1 3 270.486 3.173 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423227469 279400426 /nfs/dbraw/zinc/40/04/26/279400426.db2.gz VXYPSJBDGOZPKL-NOLJZWGESA-N 1 3 280.843 3.378 20 0 CGADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000423331485 279461971 /nfs/dbraw/zinc/46/19/71/279461971.db2.gz OMSKGARBTDUENB-LBPRGKRZSA-N 1 3 293.480 3.062 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000361746183 288160855 /nfs/dbraw/zinc/16/08/55/288160855.db2.gz UVNSKKCNJZASNA-YYWYGQEZSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422717741 279977964 /nfs/dbraw/zinc/97/79/64/279977964.db2.gz PATIYPSMIDAVFZ-XUWVNRHRSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000262022071 280376724 /nfs/dbraw/zinc/37/67/24/280376724.db2.gz WHAFCPPNAQABMI-VXGBXAGGSA-N 1 3 286.341 3.183 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC(F)(F)C1 ZINC000529537274 288259652 /nfs/dbraw/zinc/25/96/52/288259652.db2.gz UWAAXPIQKHCEDJ-STQMWFEESA-N 1 3 274.399 3.274 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423263572 281271550 /nfs/dbraw/zinc/27/15/50/281271550.db2.gz BBWZKFOAZKZHIS-XYPHTWIQSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423263572 281271552 /nfs/dbraw/zinc/27/15/52/281271552.db2.gz BBWZKFOAZKZHIS-XYPHTWIQSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](C)CC[NH+](C)C ZINC000349204175 281305587 /nfs/dbraw/zinc/30/55/87/281305587.db2.gz WAKKTSSWOHGYRM-IJEWVQPXSA-N 1 3 260.425 3.473 20 0 CGADHO CC[C@H]([NH2+]CCCN(C(C)C)C(C)C)C1CCOCC1 ZINC000532239589 288357425 /nfs/dbraw/zinc/35/74/25/288357425.db2.gz FQYWIKYMZVJFKE-KRWDZBQOSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]1C ZINC000495079623 288757778 /nfs/dbraw/zinc/75/77/78/288757778.db2.gz OMCIGFMWQQCJMP-IOASZLSFSA-N 1 3 250.430 3.028 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549035050 289032695 /nfs/dbraw/zinc/03/26/95/289032695.db2.gz UGYYIMZVWZPQAQ-GVDBMIGSSA-N 1 3 258.409 3.026 20 0 CGADHO Cc1cc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2[nH]1 ZINC000552297938 289179877 /nfs/dbraw/zinc/17/98/77/289179877.db2.gz LMTVCCHXLOAOQD-UHFFFAOYSA-N 1 3 297.446 3.440 20 0 CGADHO CC(C)C[C@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000552560257 289192699 /nfs/dbraw/zinc/19/26/99/289192699.db2.gz QLTBUGDBTJRZJB-GVDBMIGSSA-N 1 3 296.499 3.242 20 0 CGADHO CC(C)C[C@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552560259 289192794 /nfs/dbraw/zinc/19/27/94/289192794.db2.gz QLTBUGDBTJRZJB-YESZJQIVSA-N 1 3 296.499 3.242 20 0 CGADHO CC[NH+](CC)CCCN(C)[C@H]1CCc2ccccc2C1 ZINC000554820386 289311307 /nfs/dbraw/zinc/31/13/07/289311307.db2.gz PYDYFVNKZDJHJV-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000554820386 289311308 /nfs/dbraw/zinc/31/13/08/289311308.db2.gz PYDYFVNKZDJHJV-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000554820386 289311309 /nfs/dbraw/zinc/31/13/09/289311309.db2.gz PYDYFVNKZDJHJV-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423029722 289728749 /nfs/dbraw/zinc/72/87/49/289728749.db2.gz VFFLBZJWIZADPU-YYIAUSFCSA-N 1 3 296.499 3.481 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC1(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000342588276 290041783 /nfs/dbraw/zinc/04/17/83/290041783.db2.gz CUTLZSFYWVWPIY-DZKIICNBSA-N 1 3 264.457 3.418 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422939009 295267484 /nfs/dbraw/zinc/26/74/84/295267484.db2.gz QNBNBMFUOAPZGE-MJGOQNOKSA-N 1 3 282.431 3.489 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000394878249 329163515 /nfs/dbraw/zinc/16/35/15/329163515.db2.gz GPZQBYNVVDPMHL-OWCLPIDISA-N 1 3 252.446 3.133 20 0 CGADHO CCCCOc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000563716200 322007621 /nfs/dbraw/zinc/00/76/21/322007621.db2.gz PVIAPKVCNMNXBS-KGLIPLIRSA-N 1 3 294.439 3.090 20 0 CGADHO CC[C@H](Cc1ccccc1)N(CC)C[C@@]1(C)CC[NH2+]C1 ZINC000565834114 322093322 /nfs/dbraw/zinc/09/33/22/322093322.db2.gz YCKZDESGDMVMLH-MSOLQXFVSA-N 1 3 274.452 3.329 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000567429214 322162818 /nfs/dbraw/zinc/16/28/18/322162818.db2.gz CYUZEERUSAWIBW-UHFFFAOYSA-N 1 3 290.451 3.174 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000567429214 322162821 /nfs/dbraw/zinc/16/28/21/322162821.db2.gz CYUZEERUSAWIBW-UHFFFAOYSA-N 1 3 290.451 3.174 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)Cc1ccccc1 ZINC000568248390 322200620 /nfs/dbraw/zinc/20/06/20/322200620.db2.gz PMPGNABVIUUCGM-HOTGVXAUSA-N 1 3 260.425 3.115 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000568412760 322208769 /nfs/dbraw/zinc/20/87/69/322208769.db2.gz ILQZGKSERVYKOC-MQIPJXDCSA-N 1 3 280.362 3.202 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000568761771 322221551 /nfs/dbraw/zinc/22/15/51/322221551.db2.gz IBCOSPITQMCMFY-SFHVURJKSA-N 1 3 272.436 3.187 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCCNC3)c(C)c1 ZINC000568761771 322221554 /nfs/dbraw/zinc/22/15/54/322221554.db2.gz IBCOSPITQMCMFY-SFHVURJKSA-N 1 3 272.436 3.187 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCCNC3)c(C)c1 ZINC000568761771 322221556 /nfs/dbraw/zinc/22/15/56/322221556.db2.gz IBCOSPITQMCMFY-SFHVURJKSA-N 1 3 272.436 3.187 20 0 CGADHO c1ccc2c(c1)CC(C[NH+]1CCC(N3CCCCC3)CC1)C2 ZINC000568921197 322227665 /nfs/dbraw/zinc/22/76/65/322227665.db2.gz AQGWHIBADKYBCZ-UHFFFAOYSA-N 1 3 298.474 3.352 20 0 CGADHO C[C@H](c1ccc(F)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570281027 322269740 /nfs/dbraw/zinc/26/97/40/322269740.db2.gz QZUUYONJHMCXJX-CJNGLKHVSA-N 1 3 276.399 3.208 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000572608745 322346312 /nfs/dbraw/zinc/34/63/12/322346312.db2.gz RAFIWWXUKGXRLO-QGZVFWFLSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000572608745 322346314 /nfs/dbraw/zinc/34/63/14/322346314.db2.gz RAFIWWXUKGXRLO-QGZVFWFLSA-N 1 3 272.436 3.343 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000573505710 322391749 /nfs/dbraw/zinc/39/17/49/322391749.db2.gz DJJJFVZGNHVWRD-INIZCTEOSA-N 1 3 258.409 3.171 20 0 CGADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(CN(C)C)cc2)cc1 ZINC000574873297 322460408 /nfs/dbraw/zinc/46/04/08/322460408.db2.gz KPTICHYXKFJOAM-ZDUSSCGKSA-N 1 3 297.402 3.020 20 0 CGADHO Cc1ccccc1C[C@@H](NCCC[NH2+]C(C)C)C1CC1 ZINC000584285646 327218017 /nfs/dbraw/zinc/21/80/17/327218017.db2.gz XWYGQNWDCLHYTO-GOSISDBHSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]CCCNC(C)C)C1CC1 ZINC000584285646 327218018 /nfs/dbraw/zinc/21/80/18/327218018.db2.gz XWYGQNWDCLHYTO-GOSISDBHSA-N 1 3 274.452 3.294 20 0 CGADHO CC(C)CCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000582965839 329294969 /nfs/dbraw/zinc/29/49/69/329294969.db2.gz XYKFCGWJUBXLAY-HUUCEWRRSA-N 1 3 278.440 3.327 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000576099280 335153313 /nfs/dbraw/zinc/15/33/13/335153313.db2.gz XVIISSBBGQWJLK-ZTFGCOKTSA-N 1 3 290.451 3.165 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000576099280 335153315 /nfs/dbraw/zinc/15/33/15/335153315.db2.gz XVIISSBBGQWJLK-ZTFGCOKTSA-N 1 3 290.451 3.165 20 0 CGADHO Cc1cc([C@@H](C)NCc2ccc(C[NH3+])cc2)cs1 ZINC000579838602 335902660 /nfs/dbraw/zinc/90/26/60/335902660.db2.gz HQRFGVJEISJQSO-GFCCVEGCSA-N 1 3 260.406 3.366 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000380686554 336016632 /nfs/dbraw/zinc/01/66/32/336016632.db2.gz DLJXTAAUZBUAOH-HUUCEWRRSA-N 1 3 278.440 3.324 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCC(C)(C)C ZINC000581245511 336031126 /nfs/dbraw/zinc/03/11/26/336031126.db2.gz FVMJSBWSUWQGJO-LBPRGKRZSA-N 1 3 263.429 3.326 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCCSC1 ZINC000384182266 336122544 /nfs/dbraw/zinc/12/25/44/336122544.db2.gz XDGRYMYZOJIGDK-CAOSSQGBSA-N 1 3 282.497 3.030 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1cc(F)ccc1F ZINC000387057468 336184368 /nfs/dbraw/zinc/18/43/68/336184368.db2.gz ABCGOHXUMSKEJP-UHFFFAOYSA-N 1 3 270.367 3.175 20 0 CGADHO CC(C)[NH+]1CCC(NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000387446180 336193902 /nfs/dbraw/zinc/19/39/02/336193902.db2.gz ZWNIURIZBRYNRK-QGZVFWFLSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000423472686 533884331 /nfs/dbraw/zinc/88/43/31/533884331.db2.gz XUXNRYILDZMWEO-LOWVWBTDSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)NCC[C@H]1CCC[NH2+]1 ZINC000423354475 533983014 /nfs/dbraw/zinc/98/30/14/533983014.db2.gz GFOIPACSRBFTMT-IUODEOHRSA-N 1 3 282.378 3.018 20 0 CGADHO CS[C@@H]1CC[C@H]1NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000425366408 533998969 /nfs/dbraw/zinc/99/89/69/533998969.db2.gz ZZEXCRPVZOGJSF-DJIMGWMZSA-N 1 3 292.492 3.381 20 0 CGADHO CS[C@@H]1CC[C@H]1NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366408 533998975 /nfs/dbraw/zinc/99/89/75/533998975.db2.gz ZZEXCRPVZOGJSF-DJIMGWMZSA-N 1 3 292.492 3.381 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccc(C2CC2)c1 ZINC000423387133 534006581 /nfs/dbraw/zinc/00/65/81/534006581.db2.gz HPFSEEDHWQGUDQ-DCGLDWPTSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000423370517 534007171 /nfs/dbraw/zinc/00/71/71/534007171.db2.gz GXMGWEYMDQZAEX-GLJUWKHASA-N 1 3 272.436 3.357 20 0 CGADHO CCS[C@H]1CCCCN(CCC[NH+]2CCCCC2)C1 ZINC000125171136 535723922 /nfs/dbraw/zinc/72/39/22/535723922.db2.gz FRNTYZYIGYHHFC-INIZCTEOSA-N 1 3 284.513 3.470 20 0 CGADHO C[C@@H](CO)[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449165737 534145478 /nfs/dbraw/zinc/14/54/78/534145478.db2.gz XLJUXCHFERMCQQ-GJZGRUSLSA-N 1 3 298.515 3.272 20 0 CGADHO [NH3+]C1CCC(N[C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000423230770 534560418 /nfs/dbraw/zinc/56/04/18/534560418.db2.gz JZCHOJPJKWWDJA-HTWSVDAQSA-N 1 3 299.393 3.170 20 0 CGADHO CC(C)(C)C[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000513208865 534627974 /nfs/dbraw/zinc/62/79/74/534627974.db2.gz ZQYMRPQYJBLASM-QGZVFWFLSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)(C)C[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513208865 534627980 /nfs/dbraw/zinc/62/79/80/534627980.db2.gz ZQYMRPQYJBLASM-QGZVFWFLSA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000037643970 522856775 /nfs/dbraw/zinc/85/67/75/522856775.db2.gz XENQXFNQEPKKMO-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643970 522856784 /nfs/dbraw/zinc/85/67/84/522856784.db2.gz XENQXFNQEPKKMO-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643970 522856796 /nfs/dbraw/zinc/85/67/96/522856796.db2.gz XENQXFNQEPKKMO-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CN(Cc1ccccc1Cl)CC1CC[NH+](C)CC1 ZINC000104086381 523365409 /nfs/dbraw/zinc/36/54/09/523365409.db2.gz DDTHLNCECBZCJC-UHFFFAOYSA-N 1 3 266.816 3.114 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000093977901 524248794 /nfs/dbraw/zinc/24/87/94/524248794.db2.gz TXHBPYKKRBYRIG-BPQIPLTHSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000093977901 524248801 /nfs/dbraw/zinc/24/88/01/524248801.db2.gz TXHBPYKKRBYRIG-BPQIPLTHSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000093977901 524248807 /nfs/dbraw/zinc/24/88/07/524248807.db2.gz TXHBPYKKRBYRIG-BPQIPLTHSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000089215002 525325146 /nfs/dbraw/zinc/32/51/46/525325146.db2.gz MEVQCUDVUPJSLU-HNNXBMFYSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110230 525618136 /nfs/dbraw/zinc/61/81/36/525618136.db2.gz FBKLEVMJVBQPQD-GLJUWKHASA-N 1 3 272.436 3.309 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110230 525618145 /nfs/dbraw/zinc/61/81/45/525618145.db2.gz FBKLEVMJVBQPQD-GLJUWKHASA-N 1 3 272.436 3.309 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000449393740 526287470 /nfs/dbraw/zinc/28/74/70/526287470.db2.gz CWRHUEGLQIRIIQ-UHFFFAOYSA-N 1 3 289.467 3.212 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCC(C)(C)c2ccccn2)CC1 ZINC000449393740 526287474 /nfs/dbraw/zinc/28/74/74/526287474.db2.gz CWRHUEGLQIRIIQ-UHFFFAOYSA-N 1 3 289.467 3.212 20 0 CGADHO CC(C)(N)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423281370 527259601 /nfs/dbraw/zinc/25/96/01/527259601.db2.gz BDCWFYJJDAGLBR-QGZVFWFLSA-N 1 3 268.404 3.297 20 0 CGADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)[C@@H]1C[C@H]1C1CCC1 ZINC000424378722 527490413 /nfs/dbraw/zinc/49/04/13/527490413.db2.gz ODNIZTRTPGFNLO-IGKNDFSCSA-N 1 3 276.468 3.323 20 0 CGADHO CCC1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000090219588 527753201 /nfs/dbraw/zinc/75/32/01/527753201.db2.gz IPKXBUIMZJBYDO-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)CC[C@@H]([NH2+]C[C@@H]1CCCNC1)C(C)(C)C ZINC000415080334 527810539 /nfs/dbraw/zinc/81/05/39/527810539.db2.gz JJTIXVINTPCHAO-HUUCEWRRSA-N 1 3 254.462 3.427 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](c2cccnc2)C(C)C)C1 ZINC000359386607 528254451 /nfs/dbraw/zinc/25/44/51/528254451.db2.gz KUMIYBWLRBKRKV-RDJZCZTQSA-N 1 3 275.440 3.100 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000193126174 528261157 /nfs/dbraw/zinc/26/11/57/528261157.db2.gz MDBJXOAXSAVUEY-RRFJBIMHSA-N 1 3 252.446 3.133 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000423441952 528690668 /nfs/dbraw/zinc/69/06/68/528690668.db2.gz BLOPYADAFCNIFB-DZGCQCFKSA-N 1 3 264.413 3.253 20 0 CGADHO CCC([NH3+])(CC)CN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000423283280 528954220 /nfs/dbraw/zinc/95/42/20/528954220.db2.gz FDVKQVOVMSWUDM-HOTGVXAUSA-N 1 3 260.425 3.430 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261522 529071928 /nfs/dbraw/zinc/07/19/28/529071928.db2.gz JZMLHQCKRFSASI-ZWNOBZJWSA-N 1 3 274.330 3.339 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(Br)cc1 ZINC000423457044 529173063 /nfs/dbraw/zinc/17/30/63/529173063.db2.gz FEKKFFQKRMNOIA-QWHCGFSZSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423312884 529178523 /nfs/dbraw/zinc/17/85/23/529178523.db2.gz DYMZQYQYXGKOJL-UONOGXRCSA-N 1 3 252.789 3.118 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC)[C@H]1CCOC1 ZINC000484308165 535932727 /nfs/dbraw/zinc/93/27/27/535932727.db2.gz MCGRDMXZOFOEOP-VSZNYVQBSA-N 1 3 296.499 3.292 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(C(C)(C)C)s2)C1 ZINC000459747088 536384577 /nfs/dbraw/zinc/38/45/77/536384577.db2.gz ZTGBZNAFBYRGRO-CYBMUJFWSA-N 1 3 295.496 3.262 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cnc(C(C)(C)C)s2)C1 ZINC000459747088 536384578 /nfs/dbraw/zinc/38/45/78/536384578.db2.gz ZTGBZNAFBYRGRO-CYBMUJFWSA-N 1 3 295.496 3.262 20 0 CGADHO c1cc2cc(C[NH2+]CCCN3CCCCC3)ccc2cn1 ZINC000232457060 572426343 /nfs/dbraw/zinc/42/63/43/572426343.db2.gz KRLUHCQDMNMNHS-UHFFFAOYSA-N 1 3 283.419 3.200 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473515 572872575 /nfs/dbraw/zinc/87/25/75/572872575.db2.gz URQUSOZIEIRQRJ-WMZOPIPTSA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000746473515 572872576 /nfs/dbraw/zinc/87/25/76/572872576.db2.gz URQUSOZIEIRQRJ-WMZOPIPTSA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106397 618533578 /nfs/dbraw/zinc/53/35/78/618533578.db2.gz UWPDSXRGXCIPOQ-QAPCUYQASA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106397 618533586 /nfs/dbraw/zinc/53/35/86/618533586.db2.gz UWPDSXRGXCIPOQ-QAPCUYQASA-N 1 3 290.451 3.166 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1cn(C(C)C)nn1 ZINC000924529562 618782338 /nfs/dbraw/zinc/78/23/38/618782338.db2.gz VRCMCQCGFYHEHD-LSDHHAIUSA-N 1 3 295.475 3.020 20 0 CGADHO C[C@@H]([NH3+])[C@H](NC1CCC(F)(F)CC1)c1ccccc1 ZINC000925631059 619097683 /nfs/dbraw/zinc/09/76/83/619097683.db2.gz UAKYLSQYONRIRZ-RISCZKNCSA-N 1 3 268.351 3.242 20 0 CGADHO CCSc1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925647073 619105830 /nfs/dbraw/zinc/10/58/30/619105830.db2.gz XMMFSUVYNWQCOY-KGLIPLIRSA-N 1 3 293.480 3.189 20 0 CGADHO C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)[C@@H]1C[C@H]1C1CCC1 ZINC000925711964 619157633 /nfs/dbraw/zinc/15/76/33/619157633.db2.gz YHPPTLKQKJFMEV-FJIDUMEYSA-N 1 3 276.468 3.181 20 0 CGADHO COc1ccc2nccc(N3CCC[C@H]([NH+](C)C)CC3)c2c1 ZINC000893493387 619192142 /nfs/dbraw/zinc/19/21/42/619192142.db2.gz YHCPGPYWIGEWER-AWEZNQCLSA-N 1 3 299.418 3.164 20 0 CGADHO COC1CCC(C[NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000893534043 619207290 /nfs/dbraw/zinc/20/72/90/619207290.db2.gz GEFRUHJFDYKCCA-GTPINHCMSA-N 1 3 282.472 3.046 20 0 CGADHO CC(F)(F)C(C)(C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925736182 619210574 /nfs/dbraw/zinc/21/05/74/619210574.db2.gz ZQWQWAJZIZCRCE-KGLIPLIRSA-N 1 3 288.426 3.426 20 0 CGADHO CC(C)([NH3+])CCN[C@H]1CCc2cc(Br)ccc21 ZINC000925741499 619213071 /nfs/dbraw/zinc/21/30/71/619213071.db2.gz SXSXMQHXJKNBGN-ZDUSSCGKSA-N 1 3 297.240 3.153 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c(C)c1 ZINC000925776911 619239855 /nfs/dbraw/zinc/23/98/55/619239855.db2.gz AWOQFVNCNWQBHA-KGLIPLIRSA-N 1 3 282.378 3.199 20 0 CGADHO C[C@H]1C[C@@H](NCCCCCC2CC[NH2+]CC2)c2nccn21 ZINC000925805952 619256489 /nfs/dbraw/zinc/25/64/89/619256489.db2.gz ADWMAZOYYZKXKU-GOEBONIOSA-N 1 3 290.455 3.039 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000894455883 619544105 /nfs/dbraw/zinc/54/41/05/619544105.db2.gz MYMLIMPETWDHDL-AWEZNQCLSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H](CC[NH2+]Cc1ccccc1CC(F)(F)F)N(C)C ZINC000895290579 619797090 /nfs/dbraw/zinc/79/70/90/619797090.db2.gz MWQLEPYFWWSEAP-GFCCVEGCSA-N 1 3 288.357 3.221 20 0 CGADHO Cc1nc2ccc(C[NH2+]CC[C@@H](C)N(C)C)cc2s1 ZINC000895293007 619798311 /nfs/dbraw/zinc/79/83/11/619798311.db2.gz FKNJCLVRVJHAGI-LLVKDONJSA-N 1 3 277.437 3.035 20 0 CGADHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000895377697 619816436 /nfs/dbraw/zinc/81/64/36/619816436.db2.gz GJJVEWNOLOBNBO-FRRDWIJNSA-N 1 3 293.282 3.232 20 0 CGADHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000895377697 619816437 /nfs/dbraw/zinc/81/64/37/619816437.db2.gz GJJVEWNOLOBNBO-FRRDWIJNSA-N 1 3 293.282 3.232 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2CCSCC2)CC1 ZINC000895823486 619890683 /nfs/dbraw/zinc/89/06/83/619890683.db2.gz WJYJVNASYVILEU-UHFFFAOYSA-N 1 3 282.497 3.080 20 0 CGADHO NC1(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000902412542 621297783 /nfs/dbraw/zinc/29/77/83/621297783.db2.gz CSDCGDXSXLVVOZ-LBPRGKRZSA-N 1 3 282.840 3.348 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)ccc2[nH]1 ZINC000902384757 621299119 /nfs/dbraw/zinc/29/91/19/621299119.db2.gz OIYWFCRVDWYIOD-MRXNPFEDSA-N 1 3 285.435 3.344 20 0 CGADHO C[C@@H](NCCC1CCC(F)(F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000902456410 621334145 /nfs/dbraw/zinc/33/41/45/621334145.db2.gz OQGONDPNASKHJA-OCCSQVGLSA-N 1 3 274.399 3.322 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CC1 ZINC000902460284 621335901 /nfs/dbraw/zinc/33/59/01/621335901.db2.gz GHSIXXRALXVLGS-PQEBFOHHSA-N 1 3 290.838 3.144 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902472103 621342063 /nfs/dbraw/zinc/34/20/63/621342063.db2.gz WSFBVQXZTBFUMS-DZVNLGKHSA-N 1 3 270.420 3.195 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902484331 621353750 /nfs/dbraw/zinc/35/37/50/621353750.db2.gz VQGPKQWSFWEHKU-UPJWGTAASA-N 1 3 278.362 3.229 20 0 CGADHO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](N)CC(F)F ZINC000903884141 621827010 /nfs/dbraw/zinc/82/70/10/621827010.db2.gz SOWPKWNRVIFBNL-CYBMUJFWSA-N 1 3 274.330 3.020 20 0 CGADHO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](N)CC(F)F ZINC000903884141 621827011 /nfs/dbraw/zinc/82/70/11/621827011.db2.gz SOWPKWNRVIFBNL-CYBMUJFWSA-N 1 3 274.330 3.020 20 0 CGADHO [NH3+][C@H]1C[C@@H](CNC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000904329973 621907678 /nfs/dbraw/zinc/90/76/78/621907678.db2.gz VYYMMLJZENZBII-AOOOYVTPSA-N 1 3 285.218 3.309 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000904340185 621909902 /nfs/dbraw/zinc/90/99/02/621909902.db2.gz GABKXAVAKBXZEY-HNNXBMFYSA-N 1 3 282.472 3.033 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000904340185 621909904 /nfs/dbraw/zinc/90/99/04/621909904.db2.gz GABKXAVAKBXZEY-HNNXBMFYSA-N 1 3 282.472 3.033 20 0 CGADHO CCc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000225134463 622897725 /nfs/dbraw/zinc/89/77/25/622897725.db2.gz GSIMOGOIXNDSOR-HRCADAONSA-N 1 3 278.465 3.321 20 0 CGADHO Cc1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000237549825 624657293 /nfs/dbraw/zinc/65/72/93/624657293.db2.gz OKVBIIVIYFWDCV-HUUCEWRRSA-N 1 3 278.440 3.436 20 0 CGADHO CSC(C)(C)CC[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000877020496 634952810 /nfs/dbraw/zinc/95/28/10/634952810.db2.gz VRZCQCGAVOLUFS-CQSZACIVSA-N 1 3 272.502 3.228 20 0 CGADHO Fc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166199530 626171428 /nfs/dbraw/zinc/17/14/28/626171428.db2.gz HRJPMFOVOPRUHX-DLBZAZTESA-N 1 3 288.410 3.074 20 0 CGADHO Fc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166199530 626171432 /nfs/dbraw/zinc/17/14/32/626171432.db2.gz HRJPMFOVOPRUHX-DLBZAZTESA-N 1 3 288.410 3.074 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000765467189 627251647 /nfs/dbraw/zinc/25/16/47/627251647.db2.gz DDIZOVQEGGLZAI-ZIAGYGMSSA-N 1 3 297.402 3.282 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000765467189 627251648 /nfs/dbraw/zinc/25/16/48/627251648.db2.gz DDIZOVQEGGLZAI-ZIAGYGMSSA-N 1 3 297.402 3.282 20 0 CGADHO COc1ccc2c(c1)nccc2N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000765482610 627252765 /nfs/dbraw/zinc/25/27/65/627252765.db2.gz PGXXXGWJVZTAEB-AWEZNQCLSA-N 1 3 299.418 3.210 20 0 CGADHO COc1ccc2c(c1)nccc2N1CCC([NH2+]C(C)C)CC1 ZINC000765484608 627252806 /nfs/dbraw/zinc/25/28/06/627252806.db2.gz DAOHUMUCKPNQOH-UHFFFAOYSA-N 1 3 299.418 3.210 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623458 628115058 /nfs/dbraw/zinc/11/50/58/628115058.db2.gz QOFSBHOOMREHFF-KBPBESRZSA-N 1 3 283.419 3.303 20 0 CGADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623458 628115061 /nfs/dbraw/zinc/11/50/61/628115061.db2.gz QOFSBHOOMREHFF-KBPBESRZSA-N 1 3 283.419 3.303 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620501 628289031 /nfs/dbraw/zinc/28/90/31/628289031.db2.gz QZAJLXQIKDLSBN-PBHICJAKSA-N 1 3 278.415 3.318 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CF)cc2)[C@H](C)C1 ZINC000777620501 628289035 /nfs/dbraw/zinc/28/90/35/628289035.db2.gz QZAJLXQIKDLSBN-PBHICJAKSA-N 1 3 278.415 3.318 20 0 CGADHO C[C@@H](CCCCO)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000779036877 628384746 /nfs/dbraw/zinc/38/47/46/628384746.db2.gz DMHJKLCWCIRIMI-INIZCTEOSA-N 1 3 296.499 3.172 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925017 630367669 /nfs/dbraw/zinc/36/76/69/630367669.db2.gz YHWNKUSEENYDGR-KBPBESRZSA-N 1 3 272.502 3.323 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCSC(C)(C)C)C[C@@H]1C ZINC000801925017 630367672 /nfs/dbraw/zinc/36/76/72/630367672.db2.gz YHWNKUSEENYDGR-KBPBESRZSA-N 1 3 272.502 3.323 20 0 CGADHO Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000806127984 630545369 /nfs/dbraw/zinc/54/53/69/630545369.db2.gz LOMLUTMTOOVZLM-AWEZNQCLSA-N 1 3 293.842 3.188 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000817946579 632243620 /nfs/dbraw/zinc/24/36/20/632243620.db2.gz AAGAMZHIEFSMNT-OWCLPIDISA-N 1 3 290.451 3.351 20 0 CGADHO COc1cc(C)c([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1C ZINC000817968290 632261922 /nfs/dbraw/zinc/26/19/22/632261922.db2.gz JBOIQFDVMWJPTQ-CABCVRRESA-N 1 3 276.424 3.105 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1C ZINC000817968293 632262004 /nfs/dbraw/zinc/26/20/04/632262004.db2.gz JBOIQFDVMWJPTQ-LSDHHAIUSA-N 1 3 276.424 3.105 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866261865 633049731 /nfs/dbraw/zinc/04/97/31/633049731.db2.gz XYFVYUJLQBZBTJ-NJAFHUGGSA-N 1 3 294.483 3.044 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3c(F)cccc32)C1 ZINC000866262847 633049788 /nfs/dbraw/zinc/04/97/88/633049788.db2.gz HKAJPKLJSQTWPX-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3c(F)cccc32)C1 ZINC000866262847 633049796 /nfs/dbraw/zinc/04/97/96/633049796.db2.gz HKAJPKLJSQTWPX-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCCC[C@@H]1CN)C(F)(F)F ZINC000873247109 634299224 /nfs/dbraw/zinc/29/92/24/634299224.db2.gz ILIGQDYXXVCRTK-NEPJUHHUSA-N 1 3 280.378 3.462 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252955 634302715 /nfs/dbraw/zinc/30/27/15/634302715.db2.gz SXUJFRUBPFITBG-XJFOESAGSA-N 1 3 290.373 3.238 20 0 CGADHO c1ccc2c(c1)cncc2CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841087476 635119805 /nfs/dbraw/zinc/11/98/05/635119805.db2.gz OFOZKAGJPBCRTR-QFBILLFUSA-N 1 3 295.430 3.199 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878513063 635537550 /nfs/dbraw/zinc/53/75/50/635537550.db2.gz UEWXJMHJGYDFEW-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878513063 635537553 /nfs/dbraw/zinc/53/75/53/635537553.db2.gz UEWXJMHJGYDFEW-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878513063 635537554 /nfs/dbraw/zinc/53/75/54/635537554.db2.gz UEWXJMHJGYDFEW-ZIAGYGMSSA-N 1 3 274.399 3.228 20 0 CGADHO CC(C)c1ccccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000848528342 636589995 /nfs/dbraw/zinc/58/99/95/636589995.db2.gz KWUMCQVKHJXMDT-OAHLLOKOSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccccc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000848528342 636589999 /nfs/dbraw/zinc/58/99/99/636589999.db2.gz KWUMCQVKHJXMDT-OAHLLOKOSA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000848528342 636590002 /nfs/dbraw/zinc/59/00/02/636590002.db2.gz KWUMCQVKHJXMDT-OAHLLOKOSA-N 1 3 272.436 3.384 20 0 CGADHO CC[NH+](CC)CCCN[C@@H](C)CSC(C)(C)C ZINC000131428685 636653121 /nfs/dbraw/zinc/65/31/21/636653121.db2.gz IGXPDBPGLIICLI-ZDUSSCGKSA-N 1 3 260.491 3.228 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000131428685 636653126 /nfs/dbraw/zinc/65/31/26/636653126.db2.gz IGXPDBPGLIICLI-ZDUSSCGKSA-N 1 3 260.491 3.228 20 0 CGADHO CCc1ccc(NC(=[NH2+])NCCN2CCCC2(C)C)cc1 ZINC000849039466 636727680 /nfs/dbraw/zinc/72/76/80/636727680.db2.gz ZXNUPSKZBQBOHO-UHFFFAOYSA-N 1 3 288.439 3.060 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+][C@H]3CCC[C@@H](N(C)C)C3)cc21 ZINC000850173149 636972467 /nfs/dbraw/zinc/97/24/67/636972467.db2.gz IAXOTVSFWVJRMO-GOEBONIOSA-N 1 3 285.435 3.439 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C(C)(C)C(F)F ZINC000850439485 637065444 /nfs/dbraw/zinc/06/54/44/637065444.db2.gz KSPQNEOAYCTFTO-TUAOUCFPSA-N 1 3 262.388 3.129 20 0 CGADHO Cc1coc(CNCCCC[NH+]2CCC(C)CC2)c1 ZINC000885924066 637312693 /nfs/dbraw/zinc/31/26/93/637312693.db2.gz GPVHUKJKGMCKLV-UHFFFAOYSA-N 1 3 264.413 3.190 20 0 CGADHO CCC1([NH+]2CCC2)CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886719914 637671929 /nfs/dbraw/zinc/67/19/29/637671929.db2.gz LVNBULVCAAPKOP-SJORKVTESA-N 1 3 276.468 3.373 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886719914 637671934 /nfs/dbraw/zinc/67/19/34/637671934.db2.gz LVNBULVCAAPKOP-SJORKVTESA-N 1 3 276.468 3.373 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222953336 637834740 /nfs/dbraw/zinc/83/47/40/637834740.db2.gz JPPSLBGVBZUDOZ-NWANDNLSSA-N 1 3 262.397 3.006 20 0 CGADHO CC(C)CCOCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000924852412 638414197 /nfs/dbraw/zinc/41/41/97/638414197.db2.gz GCJNNPKSGKMROD-UHFFFAOYSA-N 1 3 284.488 3.149 20 0 CGADHO CC(C)[NH+](CCCNC1CC2(C1)CO[C@@H](C)C2)C(C)C ZINC000925195962 638474030 /nfs/dbraw/zinc/47/40/30/638474030.db2.gz KFXPRSQZXNMKRL-GTPINHCMSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925500893 638512597 /nfs/dbraw/zinc/51/25/97/638512597.db2.gz AMLOANJKUVNJKV-SRVKXCTJSA-N 1 3 252.427 3.305 20 0 CGADHO CC(C)c1nc(CCN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565092 638531630 /nfs/dbraw/zinc/53/16/30/638531630.db2.gz OTPPOOSHXXKYJJ-JSGCOSHPSA-N 1 3 295.496 3.305 20 0 CGADHO CCc1cnccc1[C@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925630256 638549308 /nfs/dbraw/zinc/54/93/08/638549308.db2.gz OUOUATPSFZAZLF-CFVMTHIKSA-N 1 3 275.440 3.201 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC(F)(F)F ZINC000925700145 638571887 /nfs/dbraw/zinc/57/18/87/638571887.db2.gz ZBEUIMVCGWBHPX-FPMFFAJLSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000925741022 638592738 /nfs/dbraw/zinc/59/27/38/638592738.db2.gz NAXLIFBUZQGJQO-SNVBAGLBSA-N 1 3 272.339 3.066 20 0 CGADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925772886 638606883 /nfs/dbraw/zinc/60/68/83/638606883.db2.gz LDCYRPYIYCKIEL-XNNFIENISA-N 1 3 276.468 3.036 20 0 CGADHO CCn1ccnc1[C@@H](C)NCCCCCC1CC[NH2+]CC1 ZINC000925808809 638619818 /nfs/dbraw/zinc/61/98/18/638619818.db2.gz PKUBNEMHTHLWME-OAHLLOKOSA-N 1 3 292.471 3.114 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842261 638629548 /nfs/dbraw/zinc/62/95/48/638629548.db2.gz ISLXMKJGCKHYQH-KZNAEPCWSA-N 1 3 270.420 3.104 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000858490756 638740740 /nfs/dbraw/zinc/74/07/40/638740740.db2.gz NLSKIMVMUYEXNG-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CCCO)CN1CCCC1 ZINC000926276591 638757909 /nfs/dbraw/zinc/75/79/09/638757909.db2.gz YJAMTOAOPAOGFP-IRXDYDNUSA-N 1 3 296.499 3.029 20 0 CGADHO CC[C@H](C)[C@@H](CNC1CC[NH+](CCC(C)C)CC1)OC ZINC000926502144 638778859 /nfs/dbraw/zinc/77/88/59/638778859.db2.gz CXXDGOSKFCEMHN-DOTOQJQBSA-N 1 3 284.488 3.148 20 0 CGADHO Cc1cc(F)c(CN[C@@H](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000927094565 638840933 /nfs/dbraw/zinc/84/09/33/638840933.db2.gz LRRZKSRIPMFOFJ-LBPRGKRZSA-N 1 3 282.378 3.093 20 0 CGADHO CC[N@H+](CCCNc1ccnc(CO)c1)C1CCCCC1 ZINC000858603461 639001226 /nfs/dbraw/zinc/00/12/26/639001226.db2.gz CIWYCHGHXXSCNL-UHFFFAOYSA-N 1 3 291.439 3.031 20 0 CGADHO CC[N@@H+](CCCNc1ccnc(CO)c1)C1CCCCC1 ZINC000858603461 639001229 /nfs/dbraw/zinc/00/12/29/639001229.db2.gz CIWYCHGHXXSCNL-UHFFFAOYSA-N 1 3 291.439 3.031 20 0 CGADHO C[N@@H+]1C[C@@]2(C)CN(CCCc3cccc(F)c3)C[C@@]2(C)C1 ZINC000931311840 639132546 /nfs/dbraw/zinc/13/25/46/639132546.db2.gz QEKQEEVKTRHUBH-HDICACEKSA-N 1 3 290.426 3.032 20 0 CGADHO C[N@H+]1C[C@@]2(C)CN(CCCc3cccc(F)c3)C[C@@]2(C)C1 ZINC000931311840 639132548 /nfs/dbraw/zinc/13/25/48/639132548.db2.gz QEKQEEVKTRHUBH-HDICACEKSA-N 1 3 290.426 3.032 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000089143491 640630848 /nfs/dbraw/zinc/63/08/48/640630848.db2.gz RJMWSFFGOSIMAT-IKWCTNDRSA-N 1 3 278.362 3.215 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)CCO2 ZINC000247037121 640707192 /nfs/dbraw/zinc/70/71/92/640707192.db2.gz LNUICYSATOICBU-IAOVAPTHSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc(C)cc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000251158472 640822774 /nfs/dbraw/zinc/82/27/74/640822774.db2.gz LPDLGQNMBADHTM-DZKIICNBSA-N 1 3 276.424 3.172 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc(C)cc1CN ZINC001158735337 805991007 /nfs/dbraw/zinc/99/10/07/805991007.db2.gz CAWVJSYKIKGVDF-INIZCTEOSA-N 1 3 296.418 3.089 20 0 CGADHO CN1CCC[C@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507332 806428565 /nfs/dbraw/zinc/42/85/65/806428565.db2.gz AUXFWXVFFMKHRP-BBRMVZONSA-N 1 3 293.842 3.260 20 0 CGADHO Cc1cc2cc(NCCCC[NH+](C)C)ccc2cn1 ZINC001161736004 806439497 /nfs/dbraw/zinc/43/94/97/806439497.db2.gz KBHXJGPTWWLAKR-UHFFFAOYSA-N 1 3 257.381 3.297 20 0 CGADHO C[C@@H]1CCCCN1c1cccc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162392116 806573638 /nfs/dbraw/zinc/57/36/38/806573638.db2.gz DTQNYFWUYJPENK-ILXRZTDVSA-N 1 3 288.439 3.142 20 0 CGADHO C[C@@H]1CCCCN1c1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162392119 806573961 /nfs/dbraw/zinc/57/39/61/806573961.db2.gz DTQNYFWUYJPENK-QLFBSQMISA-N 1 3 288.439 3.142 20 0 CGADHO Cc1cc2cc(N[C@H]3CCC[C@@H]([NH3+])C3)ccc2cn1 ZINC001162404575 806578840 /nfs/dbraw/zinc/57/88/40/806578840.db2.gz OLKIZYJSAGRYTP-CABCVRRESA-N 1 3 255.365 3.225 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255663378 806698347 /nfs/dbraw/zinc/69/83/47/806698347.db2.gz GMOQZPJBHOAGRT-JKXDFHQYSA-N 1 3 298.434 3.244 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255663378 806698349 /nfs/dbraw/zinc/69/83/49/806698349.db2.gz GMOQZPJBHOAGRT-JKXDFHQYSA-N 1 3 298.434 3.244 20 0 CGADHO CN1CC2(C1)CC[NH+]([C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001255720752 806717936 /nfs/dbraw/zinc/71/79/36/806717936.db2.gz NOCVEAZEFQVGEG-CHWSQXEVSA-N 1 3 290.373 3.135 20 0 CGADHO [NH3+]C1(c2ccc(N[C@@H]3CNCc4ccsc43)cc2)CCC1 ZINC001163227847 806728509 /nfs/dbraw/zinc/72/85/09/806728509.db2.gz CXLRKZZNFWPSMZ-OAHLLOKOSA-N 1 3 299.443 3.342 20 0 CGADHO C[C@H]([NH3+])c1ccc(N[C@H]2CNCc3ccsc32)cc1 ZINC001163228643 806730469 /nfs/dbraw/zinc/73/04/69/806730469.db2.gz MPGANJZWKQLDQA-HZMBPMFUSA-N 1 3 273.405 3.024 20 0 CGADHO C[C@@H]1CCCN(Cc2cncc3ccccc32)[C@H]1CC[NH3+] ZINC000404293531 799576223 /nfs/dbraw/zinc/57/62/23/799576223.db2.gz WFCKXLREELQQFO-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO CC(C)CN1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000701944153 799899380 /nfs/dbraw/zinc/89/93/80/799899380.db2.gz KRWICLCURJWGPT-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CCCC(C)(C)O ZINC001255947885 806794412 /nfs/dbraw/zinc/79/44/12/806794412.db2.gz YKWSLIZRZBUKRX-CABCVRRESA-N 1 3 272.477 3.026 20 0 CGADHO CCOc1ccc(CC[NH2+][C@H](C)CCN(CC)CC)cc1 ZINC001255943870 806791553 /nfs/dbraw/zinc/79/15/53/806791553.db2.gz QJIKLSFSQPUWGV-MRXNPFEDSA-N 1 3 292.467 3.338 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1(C)Cc2ccccc2C1 ZINC001255949781 806793386 /nfs/dbraw/zinc/79/33/86/806793386.db2.gz AVJXPJKKMCQXQP-HNNXBMFYSA-N 1 3 274.452 3.254 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708849731 799996569 /nfs/dbraw/zinc/99/65/69/799996569.db2.gz LUYXEEMPUDIGMW-FVQBIDKESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708849731 799996574 /nfs/dbraw/zinc/99/65/74/799996574.db2.gz LUYXEEMPUDIGMW-FVQBIDKESA-N 1 3 250.430 3.029 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC001255954388 806796979 /nfs/dbraw/zinc/79/69/79/806796979.db2.gz VXGISFFZAHHEDJ-HNNXBMFYSA-N 1 3 274.452 3.111 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001255953961 806797088 /nfs/dbraw/zinc/79/70/88/806797088.db2.gz XLKNPPQDDIDPBN-SUMWQHHRSA-N 1 3 278.415 3.003 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1Cc2ccc(F)cc2C1 ZINC001255953961 806797091 /nfs/dbraw/zinc/79/70/91/806797091.db2.gz XLKNPPQDDIDPBN-SUMWQHHRSA-N 1 3 278.415 3.003 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000714751903 800128804 /nfs/dbraw/zinc/12/88/04/800128804.db2.gz JOQNPVUNDXJMFW-RYUDHWBXSA-N 1 3 278.362 3.311 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715575711 800139697 /nfs/dbraw/zinc/13/96/97/800139697.db2.gz YYMARPGZPMXFML-KZNAEPCWSA-N 1 3 274.452 3.470 20 0 CGADHO C[NH+]1CCC(NC/C(=C/F)CCc2ccc(F)cc2)CC1 ZINC001256197469 806847269 /nfs/dbraw/zinc/84/72/69/806847269.db2.gz INQBAIPXMVOMGW-NTCAYCPXSA-N 1 3 294.389 3.296 20 0 CGADHO Clc1ccsc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001118193555 802535704 /nfs/dbraw/zinc/53/57/04/802535704.db2.gz OHZJUASURHNRSS-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001200820575 811749142 /nfs/dbraw/zinc/74/91/42/811749142.db2.gz IZLKULRHXHEDDV-KVPVBUAESA-N 1 3 288.435 3.171 20 0 CGADHO CCSc1ccccc1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812216 813443198 /nfs/dbraw/zinc/44/31/98/813443198.db2.gz YFAHOHBDPCYBRQ-ZIAGYGMSSA-N 1 3 278.465 3.358 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC001246074317 804112006 /nfs/dbraw/zinc/11/20/06/804112006.db2.gz CPTQPAQJTGNBOW-LRDDRELGSA-N 1 3 298.833 3.388 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246082230 804118833 /nfs/dbraw/zinc/11/88/33/804118833.db2.gz OKRJJJBABZELOV-KBPBESRZSA-N 1 3 252.446 3.466 20 0 CGADHO c1ccc(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246097719 804129932 /nfs/dbraw/zinc/12/99/32/804129932.db2.gz MFVRISLNUUBBJB-WOJBJXKFSA-N 1 3 294.442 3.182 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@H]1C ZINC001246098176 804130523 /nfs/dbraw/zinc/13/05/23/804130523.db2.gz PMTAIHYTPYFEAN-NJAFHUGGSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NCC(C)(C)[NH3+] ZINC001246099494 804131773 /nfs/dbraw/zinc/13/17/73/804131773.db2.gz IFSHMTAWNKIOEA-SECBINFHSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@H]1CC(NCCc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246100796 804133570 /nfs/dbraw/zinc/13/35/70/804133570.db2.gz VBJRXYHLNDRDKK-HOTGVXAUSA-N 1 3 290.451 3.137 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246100931 804133867 /nfs/dbraw/zinc/13/38/67/804133867.db2.gz UPLNYYGCCZOHDQ-FRRDWIJNSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@H]1CCCC[NH2+]C1 ZINC001246115544 804147600 /nfs/dbraw/zinc/14/76/00/804147600.db2.gz YSBBQCXBUCBPDH-OLZOCXBDSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@H]1CCCC[NH2+]C1 ZINC001246118597 804151199 /nfs/dbraw/zinc/15/11/99/804151199.db2.gz SQQBBJWZZWONRG-KGLIPLIRSA-N 1 3 296.455 3.286 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+][C@@H]1CNCC12CC2 ZINC001246128927 804155649 /nfs/dbraw/zinc/15/56/49/804155649.db2.gz FPIBXZPOFRUSOO-LSDHHAIUSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001246137453 804162421 /nfs/dbraw/zinc/16/24/21/804162421.db2.gz YOYSDCWSCOWCAW-PBLBJHRBSA-N 1 3 299.245 3.264 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246144919 804166827 /nfs/dbraw/zinc/16/68/27/804166827.db2.gz CBEZEXNIZGVAPF-APAOZMKASA-N 1 3 299.245 3.122 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001246144919 804166830 /nfs/dbraw/zinc/16/68/30/804166830.db2.gz CBEZEXNIZGVAPF-APAOZMKASA-N 1 3 299.245 3.122 20 0 CGADHO Fc1cccc(Cl)c1CNC1CCC2(CC[NH2+]C2)CC1 ZINC001246159311 804175916 /nfs/dbraw/zinc/17/59/16/804175916.db2.gz OEWPUTBRSMYUJX-UHFFFAOYSA-N 1 3 296.817 3.491 20 0 CGADHO CCc1ccc(CCN[C@H]2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001246158883 804175947 /nfs/dbraw/zinc/17/59/47/804175947.db2.gz NDGPOVNQLIOAET-ZWKOTPCHSA-N 1 3 274.452 3.158 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246174046 804187353 /nfs/dbraw/zinc/18/73/53/804187353.db2.gz WLQPGVUSXFRTPR-CKMBUZLOSA-N 1 3 276.468 3.323 20 0 CGADHO CC(C)(Cc1ccc(F)cc1)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246175463 804189655 /nfs/dbraw/zinc/18/96/55/804189655.db2.gz ZOBSXELKELMHGM-OAHLLOKOSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C[NH2+]C1CCNCC1)(c1ccccc1)c1ccccc1 ZINC001246178075 804192709 /nfs/dbraw/zinc/19/27/09/804192709.db2.gz GAWRRXCNJZEPEQ-UHFFFAOYSA-N 1 3 294.442 3.334 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246177639 804192720 /nfs/dbraw/zinc/19/27/20/804192720.db2.gz CLAYCBNHEGIMRI-VWPCXCKMSA-N 1 3 276.468 3.466 20 0 CGADHO CCC(CC)(N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246184444 804196580 /nfs/dbraw/zinc/19/65/80/804196580.db2.gz LHSIWTRJHNYJGB-GOEBONIOSA-N 1 3 260.425 3.432 20 0 CGADHO CCC(CC)([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccccc1 ZINC001246184444 804196585 /nfs/dbraw/zinc/19/65/85/804196585.db2.gz LHSIWTRJHNYJGB-GOEBONIOSA-N 1 3 260.425 3.432 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246218935 804213592 /nfs/dbraw/zinc/21/35/92/804213592.db2.gz AHBQSHLMZJZAJL-RCCFBDPRSA-N 1 3 292.442 3.181 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246220385 804214704 /nfs/dbraw/zinc/21/47/04/804214704.db2.gz FPDOFOXFVDTYGV-KSZLIROESA-N 1 3 292.442 3.325 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246223462 804217808 /nfs/dbraw/zinc/21/78/08/804217808.db2.gz QXNGHQGGXCTCBI-ILXRZTDVSA-N 1 3 258.425 3.273 20 0 CGADHO C[C@H]1C[C@H](NCCc2ccc3ccccc3c2)CC[NH2+]1 ZINC001246230880 804223759 /nfs/dbraw/zinc/22/37/59/804223759.db2.gz AHLQCHYRGJECCW-KBXCAEBGSA-N 1 3 268.404 3.112 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCc2ccc3ccccc3c2)CCN1 ZINC001246230880 804223749 /nfs/dbraw/zinc/22/37/49/804223749.db2.gz AHLQCHYRGJECCW-KBXCAEBGSA-N 1 3 268.404 3.112 20 0 CGADHO C[NH2+]CC[C@H](C)NC1(c2ccccc2)CCCCC1 ZINC001246232825 804224993 /nfs/dbraw/zinc/22/49/93/804224993.db2.gz RRDVDKYHPIHFOU-HNNXBMFYSA-N 1 3 260.425 3.434 20 0 CGADHO CC(C)(CN)C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246249687 804238018 /nfs/dbraw/zinc/23/80/18/804238018.db2.gz MLFMIDRAALLKTL-HOTGVXAUSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)(CN)C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246249689 804238227 /nfs/dbraw/zinc/23/82/27/804238227.db2.gz MLFMIDRAALLKTL-HZPDHXFCSA-N 1 3 260.425 3.287 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246259751 804241913 /nfs/dbraw/zinc/24/19/13/804241913.db2.gz PUKJRQUTJXYJIU-HNNXBMFYSA-N 1 3 280.843 3.393 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCCC(=O)OC(C)(C)C)CC[NH2+]1 ZINC001246266638 804245319 /nfs/dbraw/zinc/24/53/19/804245319.db2.gz ONWGFZVWKBKCLU-CABCVRRESA-N 1 3 298.471 3.009 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1C[C@@H](C)N[C@H](C)C1 ZINC001246273631 804249901 /nfs/dbraw/zinc/24/99/01/804249901.db2.gz QQCYHEVHXSPQGW-JHJVBQTASA-N 1 3 280.843 3.390 20 0 CGADHO [NH3+]C1(CN[C@H]2CCc3c(F)cc(F)cc3C2)CCCCC1 ZINC001246278186 804253319 /nfs/dbraw/zinc/25/33/19/804253319.db2.gz FAWQMZWRLHGAHT-AWEZNQCLSA-N 1 3 294.389 3.073 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)CCN1 ZINC001246281071 804256539 /nfs/dbraw/zinc/25/65/39/804256539.db2.gz YZZCEOPSCFHWPR-WTIISPKJSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H](CC[NH3+])N[C@@H](C)CSc1ccc(Cl)cc1 ZINC001246300431 804266760 /nfs/dbraw/zinc/26/67/60/804266760.db2.gz NVYIZERQDHMZDB-MNOVXSKESA-N 1 3 272.845 3.148 20 0 CGADHO CC[C@H]1C[C@@H](NC(C)(C)Cc2ccccc2F)CC[NH2+]1 ZINC001246308762 804271591 /nfs/dbraw/zinc/27/15/91/804271591.db2.gz MBPFAXWJBDCCOY-GJZGRUSLSA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246310993 804274010 /nfs/dbraw/zinc/27/40/10/804274010.db2.gz BRWADNXTOWGQGW-VXGBXAGGSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc3sccc32)CN1 ZINC001246317890 804277116 /nfs/dbraw/zinc/27/71/16/804277116.db2.gz OPZBMOZGKQCIEA-YPMHNXCESA-N 1 3 260.406 3.131 20 0 CGADHO CC[C@H](C[NH3+])N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320618 804279030 /nfs/dbraw/zinc/27/90/30/804279030.db2.gz ZLTBUDUTMZQUOE-JOYOIKCWSA-N 1 3 275.223 3.251 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC001246332165 804287944 /nfs/dbraw/zinc/28/79/44/804287944.db2.gz PMTAIHYTPYFEAN-SZMVWBNQSA-N 1 3 274.452 3.376 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC001246333913 804289719 /nfs/dbraw/zinc/28/97/19/804289719.db2.gz RQUBCYMDKHPIMW-CAOSSQGBSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC1CCC([NH2+]C2C[C@H](C)N[C@@H](C)C2)CC1 ZINC001246336518 804291628 /nfs/dbraw/zinc/29/16/28/804291628.db2.gz GIYIRHCUXKINKZ-HESLUPGFSA-N 1 3 252.446 3.464 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246347112 804298620 /nfs/dbraw/zinc/29/86/20/804298620.db2.gz GGPVDDOXTZHZHQ-ROUUACIJSA-N 1 3 286.463 3.444 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC3(CCCCC3)C2)CN1 ZINC001246363063 804305567 /nfs/dbraw/zinc/30/55/67/804305567.db2.gz OUKVVWKNISVDID-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO c1ccc(C2CC2)c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001139879786 804307161 /nfs/dbraw/zinc/30/71/61/804307161.db2.gz SRSDEYNRIWPYTE-UHFFFAOYSA-N 1 3 293.414 3.281 20 0 CGADHO CCCC[C@H](CCC)[NH2+]C1(CCOC)CCNCC1 ZINC001246384718 804315716 /nfs/dbraw/zinc/31/57/16/804315716.db2.gz AJGIRCHEFPPRGI-HNNXBMFYSA-N 1 3 270.461 3.094 20 0 CGADHO Fc1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCCNC2)cc1 ZINC001246401422 804321889 /nfs/dbraw/zinc/32/18/89/804321889.db2.gz DLLSYWFQGNIMER-HZPDHXFCSA-N 1 3 262.372 3.009 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H]2CCc3c(Cl)cccc3C2)CCN1 ZINC001246456892 804337604 /nfs/dbraw/zinc/33/76/04/804337604.db2.gz PJFUDXRKCKVNPL-YOEHRIQHSA-N 1 3 292.854 3.319 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CCNCC2)C1 ZINC001246460057 804340417 /nfs/dbraw/zinc/34/04/17/804340417.db2.gz MBJMYCDQWQXBGO-RDJZCZTQSA-N 1 3 272.436 3.130 20 0 CGADHO CC[C@@H]1CC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246461014 804343013 /nfs/dbraw/zinc/34/30/13/804343013.db2.gz MPRYOPLAUAWDFH-FVQBIDKESA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@H]1C[C@H](NC2(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246467021 804346301 /nfs/dbraw/zinc/34/63/01/804346301.db2.gz RPSZIQZSAZEUCB-IAGOWNOFSA-N 1 3 290.426 3.267 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCCC2CCCCC2)CCN1 ZINC001246477913 804353573 /nfs/dbraw/zinc/35/35/73/804353573.db2.gz JQHDIIBQJPSPHZ-GOEBONIOSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)CSc1ccc(F)cc1 ZINC001246502802 804364642 /nfs/dbraw/zinc/36/46/42/804364642.db2.gz GCIIZVVPIJAUCK-JSGCOSHPSA-N 1 3 284.444 3.269 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246509883 804368600 /nfs/dbraw/zinc/36/86/00/804368600.db2.gz KFATYJZFJPRMPB-LAVFITLUSA-N 1 3 272.436 3.443 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+][C@@H](C(C)C)C2CNC2)cc1 ZINC001246517951 804372025 /nfs/dbraw/zinc/37/20/25/804372025.db2.gz NVZXLVLLKBQFEK-KSSFIOAISA-N 1 3 274.452 3.014 20 0 CGADHO CCCC1CCC([NH2+][C@@H](C(C)C)C2CNC2)CC1 ZINC001246519524 804373342 /nfs/dbraw/zinc/37/33/42/804373342.db2.gz SDQCRZDUFIVLIZ-BCLQGDPASA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246520229 804373676 /nfs/dbraw/zinc/37/36/76/804373676.db2.gz VZWSTATUEBOAOK-OALUTQOASA-N 1 3 286.463 3.231 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CC[C@](C)([NH3+])C1 ZINC001246535937 804384990 /nfs/dbraw/zinc/38/49/90/804384990.db2.gz QUHBTODDCXOTPJ-IRXDYDNUSA-N 1 3 260.425 3.211 20 0 CGADHO C[NH2+]C[C@H]1CCCN([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538332 804388091 /nfs/dbraw/zinc/38/80/91/804388091.db2.gz BOBHYYGEAUQOFU-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO [NH3+][C@H]1CCCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538596 804389169 /nfs/dbraw/zinc/38/91/69/804389169.db2.gz DBBDBCHSTUIFIB-UONOGXRCSA-N 1 3 278.827 3.011 20 0 CGADHO CC(C)(C)C1CC[NH+]([C@H]2CCNC3(CCC3)C2)CC1 ZINC001246544932 804393709 /nfs/dbraw/zinc/39/37/09/804393709.db2.gz DWQVUTLDKKZJDA-HNNXBMFYSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001246550269 804400515 /nfs/dbraw/zinc/40/05/15/804400515.db2.gz JGBVQJNETXSHHC-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001246550269 804400518 /nfs/dbraw/zinc/40/05/18/804400518.db2.gz JGBVQJNETXSHHC-CGTJXYLNSA-N 1 3 274.452 3.315 20 0 CGADHO CC1(F)CCN([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246554803 804404559 /nfs/dbraw/zinc/40/45/59/804404559.db2.gz YJSIRLPFLMYIEJ-AWEZNQCLSA-N 1 3 268.420 3.265 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001246563188 804411239 /nfs/dbraw/zinc/41/12/39/804411239.db2.gz JGACWQARNLIOJH-RLFYNMQTSA-N 1 3 274.452 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001246563188 804411242 /nfs/dbraw/zinc/41/12/42/804411242.db2.gz JGACWQARNLIOJH-RLFYNMQTSA-N 1 3 274.452 3.239 20 0 CGADHO CC[C@H](Cc1ccccc1)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576380 804422772 /nfs/dbraw/zinc/42/27/72/804422772.db2.gz JYCWZAKZOKLBQF-IAGOWNOFSA-N 1 3 278.415 3.161 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001246590054 804431916 /nfs/dbraw/zinc/43/19/16/804431916.db2.gz IBHZXSZNIMBMST-BQFCYCMXSA-N 1 3 274.452 3.375 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001246590054 804431921 /nfs/dbraw/zinc/43/19/21/804431921.db2.gz IBHZXSZNIMBMST-BQFCYCMXSA-N 1 3 274.452 3.375 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246610592 804444932 /nfs/dbraw/zinc/44/49/32/804444932.db2.gz PTPKMANUEZSUPF-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246610592 804444937 /nfs/dbraw/zinc/44/49/37/804444937.db2.gz PTPKMANUEZSUPF-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](CC(C)C)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001246615003 804448157 /nfs/dbraw/zinc/44/81/57/804448157.db2.gz QQFWRRDSJYHEOE-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246622252 804455451 /nfs/dbraw/zinc/45/54/51/804455451.db2.gz QIQUYVADRXSXOO-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC[C@@H](CCC)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624267 804457353 /nfs/dbraw/zinc/45/73/53/804457353.db2.gz ONASVWNWANAWFC-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC[C@@H](CCC)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624267 804457356 /nfs/dbraw/zinc/45/73/56/804457356.db2.gz ONASVWNWANAWFC-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc(C[C@H]2C[C@@H]([NH+]3CC4(C3)CCCC4)CCN2)cc1 ZINC001246632248 804461911 /nfs/dbraw/zinc/46/19/11/804461911.db2.gz WDJZSWZKRQNTOF-ROUUACIJSA-N 1 3 284.447 3.226 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246641885 804468723 /nfs/dbraw/zinc/46/87/23/804468723.db2.gz AHEBRRWGLUVILO-RDJZCZTQSA-N 1 3 284.447 3.107 20 0 CGADHO CCc1ccc(C[C@@H](C)N2CCC23CC[NH2+]CC3)cc1 ZINC001246643028 804470696 /nfs/dbraw/zinc/47/06/96/804470696.db2.gz PRSFIHUOCAWTJX-OAHLLOKOSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+]2CCC23CCNCC3)cc1 ZINC001246643028 804470700 /nfs/dbraw/zinc/47/07/00/804470700.db2.gz PRSFIHUOCAWTJX-OAHLLOKOSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+]2CCC23CCNCC3)cc1 ZINC001246643028 804470702 /nfs/dbraw/zinc/47/07/02/804470702.db2.gz PRSFIHUOCAWTJX-OAHLLOKOSA-N 1 3 272.436 3.008 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643564 804471003 /nfs/dbraw/zinc/47/10/03/804471003.db2.gz HXIAQFAIFJTRPQ-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643564 804471005 /nfs/dbraw/zinc/47/10/05/804471005.db2.gz HXIAQFAIFJTRPQ-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)C1CCC(N2CC3CC2(C[NH3+])C3)CC1 ZINC001246645763 804473632 /nfs/dbraw/zinc/47/36/32/804473632.db2.gz LQGVCILTPBAVIF-UHFFFAOYSA-N 1 3 250.430 3.014 20 0 CGADHO CCCC[C@H](CC(C)C)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657468 804481628 /nfs/dbraw/zinc/48/16/28/804481628.db2.gz MJZIVLRXLKISDC-OAGGEKHMSA-N 1 3 252.446 3.275 20 0 CGADHO C1C[N@H+](C2CCCCCCC2)C2(C1)CCNCC2 ZINC001246657727 804482121 /nfs/dbraw/zinc/48/21/21/804482121.db2.gz YGSWMXDFJOMQAQ-UHFFFAOYSA-N 1 3 250.430 3.317 20 0 CGADHO C1C[N@@H+](C2CCCCCCC2)C2(C1)CCNCC2 ZINC001246657727 804482124 /nfs/dbraw/zinc/48/21/24/804482124.db2.gz YGSWMXDFJOMQAQ-UHFFFAOYSA-N 1 3 250.430 3.317 20 0 CGADHO CCC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246676298 804491514 /nfs/dbraw/zinc/49/15/14/804491514.db2.gz ZAAPOKMMEJYZER-UHOSZYNNSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001246676298 804491521 /nfs/dbraw/zinc/49/15/21/804491521.db2.gz ZAAPOKMMEJYZER-UHOSZYNNSA-N 1 3 286.463 3.428 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728456 804500428 /nfs/dbraw/zinc/50/04/28/804500428.db2.gz KBULCGMIWWBDCN-XDNAFOTISA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728456 804500438 /nfs/dbraw/zinc/50/04/38/804500438.db2.gz KBULCGMIWWBDCN-XDNAFOTISA-N 1 3 294.483 3.046 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246779475 804506385 /nfs/dbraw/zinc/50/63/85/804506385.db2.gz HUXWDHPWTQIVER-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246779475 804506388 /nfs/dbraw/zinc/50/63/88/804506388.db2.gz HUXWDHPWTQIVER-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783585 804509249 /nfs/dbraw/zinc/50/92/49/804509249.db2.gz PIJZFGRRKWDACY-SBZGPEHISA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246783585 804509252 /nfs/dbraw/zinc/50/92/52/804509252.db2.gz PIJZFGRRKWDACY-SBZGPEHISA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246792929 804515475 /nfs/dbraw/zinc/51/54/75/804515475.db2.gz SLILVPNCHOGMKB-KZNAEPCWSA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246792929 804515478 /nfs/dbraw/zinc/51/54/78/804515478.db2.gz SLILVPNCHOGMKB-KZNAEPCWSA-N 1 3 272.436 3.082 20 0 CGADHO Cc1ccc(CCN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001246813376 804530351 /nfs/dbraw/zinc/53/03/51/804530351.db2.gz JAUNLTMUWNXMBU-PIIMJCKOSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc(CC[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246813376 804530353 /nfs/dbraw/zinc/53/03/53/804530353.db2.gz JAUNLTMUWNXMBU-PIIMJCKOSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccc(CC[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246813376 804530358 /nfs/dbraw/zinc/53/03/58/804530358.db2.gz JAUNLTMUWNXMBU-PIIMJCKOSA-N 1 3 272.436 3.142 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(Cc2ccccc2F)CC1 ZINC001246820507 804534822 /nfs/dbraw/zinc/53/48/22/804534822.db2.gz GGDPDVJKZMFDCY-CQSZACIVSA-N 1 3 278.415 3.078 20 0 CGADHO CCOc1ccc([C@H]2CCCN2[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC001246822671 804537542 /nfs/dbraw/zinc/53/75/42/804537542.db2.gz MIZQSLDOJJEIQE-UWWQBHOKSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246822671 804537549 /nfs/dbraw/zinc/53/75/49/804537549.db2.gz MIZQSLDOJJEIQE-UWWQBHOKSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246822671 804537552 /nfs/dbraw/zinc/53/75/52/804537552.db2.gz MIZQSLDOJJEIQE-UWWQBHOKSA-N 1 3 288.435 3.363 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246842526 804549820 /nfs/dbraw/zinc/54/98/20/804549820.db2.gz CFLHLJIRAOEZKC-QKPAOTATSA-N 1 3 264.457 3.275 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC001246842526 804549823 /nfs/dbraw/zinc/54/98/23/804549823.db2.gz CFLHLJIRAOEZKC-QKPAOTATSA-N 1 3 264.457 3.275 20 0 CGADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844623 804553948 /nfs/dbraw/zinc/55/39/48/804553948.db2.gz ZTJNUXHEACYEFP-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844623 804553951 /nfs/dbraw/zinc/55/39/51/804553951.db2.gz ZTJNUXHEACYEFP-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844623 804553955 /nfs/dbraw/zinc/55/39/55/804553955.db2.gz ZTJNUXHEACYEFP-CXAGYDPISA-N 1 3 292.854 3.129 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1CCN ZINC001246848324 804557583 /nfs/dbraw/zinc/55/75/83/804557583.db2.gz UMIVRRYHFBAZJC-ROUUACIJSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]1CCN ZINC001246848324 804557587 /nfs/dbraw/zinc/55/75/87/804557587.db2.gz UMIVRRYHFBAZJC-ROUUACIJSA-N 1 3 274.452 3.457 20 0 CGADHO C1[C@H]2CNCC[C@@H]2C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849305 804560309 /nfs/dbraw/zinc/56/03/09/804560309.db2.gz ZPWFZAZVRSCURZ-HZPDHXFCSA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@H]2CNCC[C@@H]2C[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849305 804560315 /nfs/dbraw/zinc/56/03/15/804560315.db2.gz ZPWFZAZVRSCURZ-HZPDHXFCSA-N 1 3 276.468 3.421 20 0 CGADHO C[C@H]1Cc2ccccc2CN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867674 804569387 /nfs/dbraw/zinc/56/93/87/804569387.db2.gz IKTQJEUSQRMFKT-VIBAHUMZSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867674 804569395 /nfs/dbraw/zinc/56/93/95/804569395.db2.gz IKTQJEUSQRMFKT-VIBAHUMZSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867674 804569400 /nfs/dbraw/zinc/56/94/00/804569400.db2.gz IKTQJEUSQRMFKT-VIBAHUMZSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867677 804569715 /nfs/dbraw/zinc/56/97/15/804569715.db2.gz IKTQJEUSQRMFKT-ZSGPHXLJSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867677 804569720 /nfs/dbraw/zinc/56/97/20/804569720.db2.gz IKTQJEUSQRMFKT-ZSGPHXLJSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867677 804569722 /nfs/dbraw/zinc/56/97/22/804569722.db2.gz IKTQJEUSQRMFKT-ZSGPHXLJSA-N 1 3 270.420 3.106 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(n3ccc4ccccc43)CC2)CCN1 ZINC001246870693 804570961 /nfs/dbraw/zinc/57/09/61/804570961.db2.gz XKQVIEVZYRSHRR-CRAIPNDOSA-N 1 3 297.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)CC23CC3)CCN1 ZINC001246892758 804583824 /nfs/dbraw/zinc/58/38/24/804583824.db2.gz IRCWATGDAWXRSQ-RRFJBIMHSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H](C)CC23CC3)CCN1 ZINC001246892758 804583829 /nfs/dbraw/zinc/58/38/29/804583829.db2.gz IRCWATGDAWXRSQ-RRFJBIMHSA-N 1 3 250.430 3.172 20 0 CGADHO C1CCC2(C1)CCC([NH+]1CCCNCCC1)CC2 ZINC001246905913 804589617 /nfs/dbraw/zinc/58/96/17/804589617.db2.gz OSLCHGKJAFYQNQ-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO CCCCCC[C@H](CCCC)[N@H+]1C[C@@H]2NC[C@H]2C1 ZINC001246922026 804601701 /nfs/dbraw/zinc/60/17/01/804601701.db2.gz UGSNKGHPUWIAMV-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@H](CCCC)[N@@H+]1C[C@@H]2NC[C@H]2C1 ZINC001246922026 804601706 /nfs/dbraw/zinc/60/17/06/804601706.db2.gz UGSNKGHPUWIAMV-JYJNAYRXSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941940 804612519 /nfs/dbraw/zinc/61/25/19/804612519.db2.gz MRYLMGRVSPHQNY-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941940 804612524 /nfs/dbraw/zinc/61/25/24/804612524.db2.gz MRYLMGRVSPHQNY-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO CCCCCC1CCC(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246946773 804614156 /nfs/dbraw/zinc/61/41/56/804614156.db2.gz HUXJQTSOROQGKD-NDQLQDMOSA-N 1 3 264.457 3.275 20 0 CGADHO CC[C@@H](C)[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246959969 804618439 /nfs/dbraw/zinc/61/84/39/804618439.db2.gz KIJIKVXPIDMQAY-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@@H](C)[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001246959969 804618441 /nfs/dbraw/zinc/61/84/41/804618441.db2.gz KIJIKVXPIDMQAY-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001246978534 804625708 /nfs/dbraw/zinc/62/57/08/804625708.db2.gz VWXDFFJNRBHWGH-IFXMJZAHSA-N 1 3 296.817 3.079 20 0 CGADHO C[NH2+]CC[C@H](C)N(C)CCc1ccc(C(F)(F)F)cc1 ZINC001247003650 804636096 /nfs/dbraw/zinc/63/60/96/804636096.db2.gz XFQXNWRLIWERCN-LBPRGKRZSA-N 1 3 288.357 3.178 20 0 CGADHO Cc1ccc(C[N@@H+](C)CCCN(C)C)c(C)c1Cl ZINC001250190187 805478023 /nfs/dbraw/zinc/47/80/23/805478023.db2.gz PGOKCUTYTKUJBP-UHFFFAOYSA-N 1 3 268.832 3.340 20 0 CGADHO Cc1ccc(C[N@H+](C)CCCN(C)C)c(C)c1Cl ZINC001250190187 805478026 /nfs/dbraw/zinc/47/80/26/805478026.db2.gz PGOKCUTYTKUJBP-UHFFFAOYSA-N 1 3 268.832 3.340 20 0 CGADHO CCCCCC[C@@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001257367411 807125542 /nfs/dbraw/zinc/12/55/42/807125542.db2.gz BXPOOOJKOMKOKV-GOSISDBHSA-N 1 3 295.515 3.059 20 0 CGADHO COCc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC001258008369 807264092 /nfs/dbraw/zinc/26/40/92/807264092.db2.gz PDKYRKGNVRGDJM-UHFFFAOYSA-N 1 3 290.451 3.043 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001258011044 807264219 /nfs/dbraw/zinc/26/42/19/807264219.db2.gz HMSOBYHPRVQLBV-CQSZACIVSA-N 1 3 292.389 3.176 20 0 CGADHO CC(C)CN1CCC([N@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001258011044 807264223 /nfs/dbraw/zinc/26/42/23/807264223.db2.gz HMSOBYHPRVQLBV-CQSZACIVSA-N 1 3 292.389 3.176 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cccc3ccncc32)CC1 ZINC001258006044 807265191 /nfs/dbraw/zinc/26/51/91/807265191.db2.gz DORUVNNFHVBRPD-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO FC1(F)C[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995696 807293971 /nfs/dbraw/zinc/29/39/71/807293971.db2.gz OHQSTXJXMATKLO-VFSICIBPSA-N 1 3 296.405 3.123 20 0 CGADHO FC1(F)C[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995696 807293980 /nfs/dbraw/zinc/29/39/80/807293980.db2.gz OHQSTXJXMATKLO-VFSICIBPSA-N 1 3 296.405 3.123 20 0 CGADHO CSCC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258213417 807368750 /nfs/dbraw/zinc/36/87/50/807368750.db2.gz PAQDCGMZGVACDX-AWEZNQCLSA-N 1 3 270.486 3.078 20 0 CGADHO Cc1cccnc1[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC001168358941 807392004 /nfs/dbraw/zinc/39/20/04/807392004.db2.gz ZEYGTZOUADNJEA-IBGZPJMESA-N 1 3 299.462 3.305 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168413735 807409729 /nfs/dbraw/zinc/40/97/29/807409729.db2.gz AFFRZYGMUNVREO-KZNAEPCWSA-N 1 3 290.426 3.145 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC001258447715 807456118 /nfs/dbraw/zinc/45/61/18/807456118.db2.gz VYEBKAHNROVSMC-ZNMIVQPWSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ncccc1C ZINC001169090642 807571057 /nfs/dbraw/zinc/57/10/57/807571057.db2.gz JYSJKXKCPZFKLP-QKPAOTATSA-N 1 3 273.424 3.056 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1N1CCCC1)C2 ZINC001169093151 807573337 /nfs/dbraw/zinc/57/33/37/807573337.db2.gz FVDPTSWLHZGVCH-NNZMDNLPSA-N 1 3 299.462 3.002 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)C2 ZINC001169095749 807573991 /nfs/dbraw/zinc/57/39/91/807573991.db2.gz SPOQYWLORASFNO-ZSOGYDGISA-N 1 3 296.361 3.003 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001169095339 807574357 /nfs/dbraw/zinc/57/43/57/807574357.db2.gz PTSZIVGZDVYCTM-BJWYYQGGSA-N 1 3 258.409 3.018 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001169123656 807585295 /nfs/dbraw/zinc/58/52/95/807585295.db2.gz LXACOYZJQABJKB-QEOTZNIISA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001169123656 807585298 /nfs/dbraw/zinc/58/52/98/807585298.db2.gz LXACOYZJQABJKB-QEOTZNIISA-N 1 3 290.838 3.411 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141448 807587996 /nfs/dbraw/zinc/58/79/96/807587996.db2.gz QNOCENJGTBCCAY-JONQDZQNSA-N 1 3 288.410 3.240 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H](c3ccccc3F)C1)C2 ZINC001169141448 807588001 /nfs/dbraw/zinc/58/80/01/807588001.db2.gz QNOCENJGTBCCAY-JONQDZQNSA-N 1 3 288.410 3.240 20 0 CGADHO CC[NH+]1CCC(NCc2cccc3sccc32)CC1 ZINC001169233408 807611656 /nfs/dbraw/zinc/61/16/56/807611656.db2.gz PYWUGWJXMVNJFM-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO C[C@H]1CCC[C@@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001258814142 807632094 /nfs/dbraw/zinc/63/20/94/807632094.db2.gz NXXZHLNREMYPPP-MAUKXSAKSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH+]1CCN(c2ccncc2)CC1 ZINC001258843401 807653449 /nfs/dbraw/zinc/65/34/49/807653449.db2.gz BVIRCTOIFDAKOC-GOSISDBHSA-N 1 3 295.430 3.225 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc(C)ccc1F ZINC001258900353 807669875 /nfs/dbraw/zinc/66/98/75/807669875.db2.gz JTUAWCLBDKVPIJ-CYBMUJFWSA-N 1 3 281.419 3.129 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CC[C@@](C)(F)[C@H](F)C1 ZINC001258908029 807672968 /nfs/dbraw/zinc/67/29/68/807672968.db2.gz QGZMCRNTVTUZPG-RRFJBIMHSA-N 1 3 276.415 3.269 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001170071011 807746698 /nfs/dbraw/zinc/74/66/98/807746698.db2.gz ILAZXRXFJRSOLC-BZSNNMDCSA-N 1 3 296.499 3.434 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171147967 807997774 /nfs/dbraw/zinc/99/77/74/807997774.db2.gz BFIVAKRCJJFXHQ-BYCMXARLSA-N 1 3 299.245 3.320 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171411656 808049772 /nfs/dbraw/zinc/04/97/72/808049772.db2.gz LDTIKQZCAJPXHN-HRCADAONSA-N 1 3 290.426 3.145 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171549062 808091186 /nfs/dbraw/zinc/09/11/86/808091186.db2.gz IYOLAMSVEDXVPR-KRWDZBQOSA-N 1 3 274.452 3.174 20 0 CGADHO Cc1cccc2c1CC[C@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001171558988 808095280 /nfs/dbraw/zinc/09/52/80/808095280.db2.gz SDUBMJJFMQJGMC-SFHVURJKSA-N 1 3 298.474 3.446 20 0 CGADHO CO[C@@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171639752 808111505 /nfs/dbraw/zinc/11/15/05/808111505.db2.gz RSGIOFNCSLUCFV-OAHLLOKOSA-N 1 3 282.472 3.139 20 0 CGADHO CO[C@@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171639752 808111508 /nfs/dbraw/zinc/11/15/08/808111508.db2.gz RSGIOFNCSLUCFV-OAHLLOKOSA-N 1 3 282.472 3.139 20 0 CGADHO Cc1cnccc1[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112507 808178359 /nfs/dbraw/zinc/17/83/59/808178359.db2.gz WQCUXQSEZAGAGE-BMFAXAFESA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cnccc1[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112507 808178360 /nfs/dbraw/zinc/17/83/60/808178360.db2.gz WQCUXQSEZAGAGE-BMFAXAFESA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cnccc1[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112509 808178537 /nfs/dbraw/zinc/17/85/37/808178537.db2.gz WQCUXQSEZAGAGE-VXIBKDFQSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cnccc1[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112509 808178541 /nfs/dbraw/zinc/17/85/41/808178541.db2.gz WQCUXQSEZAGAGE-VXIBKDFQSA-N 1 3 299.462 3.446 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3cccnc31)C2 ZINC001172109057 808178566 /nfs/dbraw/zinc/17/85/66/808178566.db2.gz GKJXRYAIJISJMO-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc3cccnc31)C2 ZINC001172109057 808178571 /nfs/dbraw/zinc/17/85/71/808178571.db2.gz GKJXRYAIJISJMO-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO Cc1cncc([C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C2CC2)c1 ZINC001172114028 808180154 /nfs/dbraw/zinc/18/01/54/808180154.db2.gz ODCDCOLNEWIIJV-FCGDIQPGSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cncc([C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)c1 ZINC001172114028 808180157 /nfs/dbraw/zinc/18/01/57/808180157.db2.gz ODCDCOLNEWIIJV-FCGDIQPGSA-N 1 3 299.462 3.446 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129300 808186105 /nfs/dbraw/zinc/18/61/05/808186105.db2.gz YCAKJTWIODEVAS-XGUBFFRZSA-N 1 3 291.464 3.295 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129300 808186108 /nfs/dbraw/zinc/18/61/08/808186108.db2.gz YCAKJTWIODEVAS-XGUBFFRZSA-N 1 3 291.464 3.295 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001172339264 808240752 /nfs/dbraw/zinc/24/07/52/808240752.db2.gz GBHUXWQJIPECPV-YHUYYLMFSA-N 1 3 270.461 3.043 20 0 CGADHO CCN(CCC[NH+](C)C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172724642 808420335 /nfs/dbraw/zinc/42/03/35/808420335.db2.gz OWCFJKDCOOIUTF-INIZCTEOSA-N 1 3 280.843 3.081 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)NCCC[NH+](C)C ZINC001172872136 808471954 /nfs/dbraw/zinc/47/19/54/808471954.db2.gz STPBXEPIKJOULV-LBPRGKRZSA-N 1 3 286.872 3.362 20 0 CGADHO CCSC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001173290273 808589776 /nfs/dbraw/zinc/58/97/76/808589776.db2.gz CPCMYOVALGJXBR-NSHDSACASA-N 1 3 258.475 3.108 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cc(C)c(O)c(C)c3)(C1)CCC2 ZINC001275318509 808930006 /nfs/dbraw/zinc/93/00/06/808930006.db2.gz ICODEQKKOBGIRK-ZWKOTPCHSA-N 1 3 288.435 3.163 20 0 CGADHO CSc1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)s1 ZINC001275731900 808961363 /nfs/dbraw/zinc/96/13/63/808961363.db2.gz LRZSCICOIUBJKR-UHFFFAOYSA-N 1 3 296.505 3.388 20 0 CGADHO CSc1ccc(CN2CCC3(CC[N@@H+](C)C3)CC2)s1 ZINC001275731900 808961367 /nfs/dbraw/zinc/96/13/67/808961367.db2.gz LRZSCICOIUBJKR-UHFFFAOYSA-N 1 3 296.505 3.388 20 0 CGADHO Cc1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)cc1O ZINC001276878206 809038736 /nfs/dbraw/zinc/03/87/36/809038736.db2.gz QLWUHRYVVFVYEY-UHFFFAOYSA-N 1 3 288.435 3.008 20 0 CGADHO Cc1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)cc1O ZINC001276878206 809038743 /nfs/dbraw/zinc/03/87/43/809038743.db2.gz QLWUHRYVVFVYEY-UHFFFAOYSA-N 1 3 288.435 3.008 20 0 CGADHO Cn1ccnc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361331 809379419 /nfs/dbraw/zinc/37/94/19/809379419.db2.gz IGKLUBWASHZWRO-UHFFFAOYSA-N 1 3 270.380 3.150 20 0 CGADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN(CC)C1 ZINC001177542250 809807164 /nfs/dbraw/zinc/80/71/64/809807164.db2.gz LOEMLIMGCHMCCQ-HNNXBMFYSA-N 1 3 260.425 3.071 20 0 CGADHO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001179814984 809947755 /nfs/dbraw/zinc/94/77/55/809947755.db2.gz CCUUARBFFFVATJ-RCCFBDPRSA-N 1 3 272.436 3.240 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001179816045 809948472 /nfs/dbraw/zinc/94/84/72/809948472.db2.gz KLPIROYSEBBIHM-IAOVAPTHSA-N 1 3 292.854 3.387 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC001184418662 810198320 /nfs/dbraw/zinc/19/83/20/810198320.db2.gz STGXHJJUSIYRIS-KBPBESRZSA-N 1 3 272.502 3.228 20 0 CGADHO CCCC[C@H](CC)C[NH+]1CCN(c2ccncc2)CC1 ZINC001201563347 811905371 /nfs/dbraw/zinc/90/53/71/811905371.db2.gz ODFRMRVHEQHGOP-INIZCTEOSA-N 1 3 275.440 3.420 20 0 CGADHO Cc1[nH]c2ccccc2c1CN1CCC2(C[NH+](C)C2)CC1 ZINC001204292475 812602172 /nfs/dbraw/zinc/60/21/72/812602172.db2.gz DTJRSNUVKKKHED-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO COc1ccc(CN2CCC[C@@H]([NH3+])CC2)c2ccccc12 ZINC001205095262 812860554 /nfs/dbraw/zinc/86/05/54/812860554.db2.gz WHUQGROXCIFUBM-OAHLLOKOSA-N 1 3 284.403 3.162 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130375 812879935 /nfs/dbraw/zinc/87/99/35/812879935.db2.gz CGISPUNJHGSSRS-OWCLPIDISA-N 1 3 252.446 3.286 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130375 812879942 /nfs/dbraw/zinc/87/99/42/812879942.db2.gz CGISPUNJHGSSRS-OWCLPIDISA-N 1 3 252.446 3.286 20 0 CGADHO Cc1cnc(-c2ccccc2)c(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205156172 812889785 /nfs/dbraw/zinc/88/97/85/812889785.db2.gz PRZGSGAYWFPKDL-MAUKXSAKSA-N 1 3 295.430 3.084 20 0 CGADHO CC(C)Oc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205266949 812923763 /nfs/dbraw/zinc/92/37/63/812923763.db2.gz YSKTUJPVMVWLAW-KRWDZBQOSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC001205297130 812938398 /nfs/dbraw/zinc/93/83/98/812938398.db2.gz ZPUFJWPLWFUZDM-ILXRZTDVSA-N 1 3 254.462 3.366 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC001205297130 812938400 /nfs/dbraw/zinc/93/84/00/812938400.db2.gz ZPUFJWPLWFUZDM-ILXRZTDVSA-N 1 3 254.462 3.366 20 0 CGADHO CCCCc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205304319 812942589 /nfs/dbraw/zinc/94/25/89/812942589.db2.gz NSOLHRHVJWFZSR-YJBOKZPZSA-N 1 3 274.452 3.446 20 0 CGADHO CC(C)c1cccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205316492 812949008 /nfs/dbraw/zinc/94/90/08/812949008.db2.gz KBWVMLAMPOKXNT-PBHICJAKSA-N 1 3 260.425 3.227 20 0 CGADHO CC(C)c1cccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205316493 812949463 /nfs/dbraw/zinc/94/94/63/812949463.db2.gz KBWVMLAMPOKXNT-RHSMWYFYSA-N 1 3 260.425 3.227 20 0 CGADHO Cc1ccc(F)c(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1F ZINC001205618793 813029466 /nfs/dbraw/zinc/02/94/66/813029466.db2.gz YWKUDGQXARMDKF-AAEUAGOBSA-N 1 3 282.378 3.080 20 0 CGADHO CC(C)=CCC[C@@H](C)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205734640 813064004 /nfs/dbraw/zinc/06/40/04/813064004.db2.gz GBYZWJMFTQTQDC-ZIAGYGMSSA-N 1 3 274.399 3.285 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001205901154 813122412 /nfs/dbraw/zinc/12/24/12/813122412.db2.gz BIEZPIBJLPBJJG-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H](CN)[C@@H]2C)cc1 ZINC001205901154 813122414 /nfs/dbraw/zinc/12/24/14/813122414.db2.gz BIEZPIBJLPBJJG-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901154 813122416 /nfs/dbraw/zinc/12/24/16/813122416.db2.gz BIEZPIBJLPBJJG-YJBOKZPZSA-N 1 3 274.452 3.412 20 0 CGADHO CCCOc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205904900 813128347 /nfs/dbraw/zinc/12/83/47/813128347.db2.gz YBVWWFFIKCIJKM-ZBFHGGJFSA-N 1 3 276.424 3.035 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@H](C[NH3+])[C@H]3C)ccc2n1 ZINC001205912932 813129350 /nfs/dbraw/zinc/12/93/50/813129350.db2.gz DYAZYWCHXWMMJZ-RHSMWYFYSA-N 1 3 283.419 3.102 20 0 CGADHO N[C@H]1CCCC[N@H+](Cc2cccc3ccccc32)C1 ZINC001205930967 813137897 /nfs/dbraw/zinc/13/78/97/813137897.db2.gz DZEZILDRPRYPBM-INIZCTEOSA-N 1 3 254.377 3.153 20 0 CGADHO N[C@H]1CCCC[N@@H+](Cc2cccc3ccccc32)C1 ZINC001205930967 813137900 /nfs/dbraw/zinc/13/79/00/813137900.db2.gz DZEZILDRPRYPBM-INIZCTEOSA-N 1 3 254.377 3.153 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206201102 813237550 /nfs/dbraw/zinc/23/75/50/813237550.db2.gz VPNPEWCQUSXYDW-LSDHHAIUSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206201102 813237556 /nfs/dbraw/zinc/23/75/56/813237556.db2.gz VPNPEWCQUSXYDW-LSDHHAIUSA-N 1 3 284.806 3.218 20 0 CGADHO C[C@]1(CN)CCCC[N@H+](Cc2cccc3ccoc32)C1 ZINC001206574690 813359677 /nfs/dbraw/zinc/35/96/77/813359677.db2.gz UHEISRJEMZZGNM-QGZVFWFLSA-N 1 3 272.392 3.384 20 0 CGADHO C[C@]1(CN)CCCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001206574690 813359680 /nfs/dbraw/zinc/35/96/80/813359680.db2.gz UHEISRJEMZZGNM-QGZVFWFLSA-N 1 3 272.392 3.384 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001206760834 813425715 /nfs/dbraw/zinc/42/57/15/813425715.db2.gz MQYKZHAHECVKLO-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@H](CN)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001206760834 813425722 /nfs/dbraw/zinc/42/57/22/813425722.db2.gz MQYKZHAHECVKLO-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CC[C@H](C[NH3+])CN1CCCc1ccc(Cl)cc1 ZINC001206760834 813425728 /nfs/dbraw/zinc/42/57/28/813425728.db2.gz MQYKZHAHECVKLO-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001206760748 813426469 /nfs/dbraw/zinc/42/64/69/813426469.db2.gz LCNKYGVRAXSDCJ-WBVHZDCISA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2C[C@H](CN)CC[C@H]2C)cc1 ZINC001206760748 813426473 /nfs/dbraw/zinc/42/64/73/813426473.db2.gz LCNKYGVRAXSDCJ-WBVHZDCISA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206760748 813426477 /nfs/dbraw/zinc/42/64/77/813426477.db2.gz LCNKYGVRAXSDCJ-WBVHZDCISA-N 1 3 274.452 3.412 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(CCC2CCCCC2)CC1 ZINC001207259608 813523266 /nfs/dbraw/zinc/52/32/66/813523266.db2.gz HBWGMNHPOKFSSM-UHFFFAOYSA-N 1 3 287.451 3.482 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CCCc2ccccc2C1 ZINC001207285373 813535790 /nfs/dbraw/zinc/53/57/90/813535790.db2.gz ILHGAASVHUGTEI-UHFFFAOYSA-N 1 3 260.425 3.023 20 0 CGADHO CN1CC2(C1)CC[NH+](CCCC1CCCCC1)CC2 ZINC001207609134 813612391 /nfs/dbraw/zinc/61/23/91/813612391.db2.gz NWDAOPRNVPLGPO-UHFFFAOYSA-N 1 3 264.457 3.375 20 0 CGADHO CCN(Cc1ccccc1F)CC1(C)CC[NH+](C)CC1 ZINC001208109604 813695058 /nfs/dbraw/zinc/69/50/58/813695058.db2.gz QDCHZXMEKSBJMX-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO CC/C=C\CCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001208136984 813702288 /nfs/dbraw/zinc/70/22/88/813702288.db2.gz DFOMLARQOAOIRF-XFCCUVRLSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001208136984 813702291 /nfs/dbraw/zinc/70/22/91/813702291.db2.gz DFOMLARQOAOIRF-XFCCUVRLSA-N 1 3 250.430 3.006 20 0 CGADHO CCN(C)C1CC[NH+](C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208169422 813723566 /nfs/dbraw/zinc/72/35/66/813723566.db2.gz PGTHYVJIXKNYOD-HZPDHXFCSA-N 1 3 264.457 3.395 20 0 CGADHO C[NH+](C)CC1(CN2CCC(OC3CCC3)CC2)CCCC1 ZINC001208184700 813734780 /nfs/dbraw/zinc/73/47/80/813734780.db2.gz OEEPVGGUXXRWBN-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)CC1(C[N@H+](C)CCOc2ccccc2)CCCC1 ZINC001208192597 813737142 /nfs/dbraw/zinc/73/71/42/813737142.db2.gz VOIYJKNXXRFWKY-UHFFFAOYSA-N 1 3 290.451 3.119 20 0 CGADHO CN(C)CC1(C[N@@H+](C)CCOc2ccccc2)CCCC1 ZINC001208192597 813737145 /nfs/dbraw/zinc/73/71/45/813737145.db2.gz VOIYJKNXXRFWKY-UHFFFAOYSA-N 1 3 290.451 3.119 20 0 CGADHO C[C@H]1C[C@@H]1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209421289 814023341 /nfs/dbraw/zinc/02/33/41/814023341.db2.gz ORZLHNKMCVRIRW-DOTOQJQBSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[C@@H]1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209421289 814023346 /nfs/dbraw/zinc/02/33/46/814023346.db2.gz ORZLHNKMCVRIRW-DOTOQJQBSA-N 1 3 272.436 3.239 20 0 CGADHO CN(C)Cc1c(O[C@H]2CCC[NH2+]C2)ccc2ccccc21 ZINC001218283653 816151833 /nfs/dbraw/zinc/15/18/33/816151833.db2.gz JFMCQSOYFDOKCX-HNNXBMFYSA-N 1 3 284.403 3.032 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@@]3(CCCNC3)C2)CC1 ZINC001222258934 816389403 /nfs/dbraw/zinc/38/94/03/816389403.db2.gz JDHAMLMTKYETIO-OKZBNKHCSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]3(CCCNC3)C2)CC1 ZINC001222258934 816389411 /nfs/dbraw/zinc/38/94/11/816389411.db2.gz JDHAMLMTKYETIO-OKZBNKHCSA-N 1 3 276.468 3.444 20 0 CGADHO COc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1C(C)C ZINC001222537438 816463627 /nfs/dbraw/zinc/46/36/27/816463627.db2.gz CCDGPSONPGHUNT-UHFFFAOYSA-N 1 3 294.414 3.081 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222596032 816475035 /nfs/dbraw/zinc/47/50/35/816475035.db2.gz OUURQZGTEDZVNV-IBGZPJMESA-N 1 3 292.426 3.184 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222596032 816475040 /nfs/dbraw/zinc/47/50/40/816475040.db2.gz OUURQZGTEDZVNV-IBGZPJMESA-N 1 3 292.426 3.184 20 0 CGADHO Cc1ccc(Cl)cc1CN1CCC(C[NH+](C)C)CC1 ZINC001233249818 818552771 /nfs/dbraw/zinc/55/27/71/818552771.db2.gz KDCGIGIUGCFRRD-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO Cc1cccc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235041771 818988930 /nfs/dbraw/zinc/98/89/30/818988930.db2.gz SJXCXLKPUMYNDI-KRWDZBQOSA-N 1 3 258.409 3.103 20 0 CGADHO Cc1c(CN2CCC3(CC[NH2+]CC3)CC2)ccc(F)c1F ZINC001235131727 819014007 /nfs/dbraw/zinc/01/40/07/819014007.db2.gz AKMDMEMAHJYLEU-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO CCCc1ccc(C[N@@H+]2CCCC23CCNCC3)cc1 ZINC001235144426 819014863 /nfs/dbraw/zinc/01/48/63/819014863.db2.gz LIXFUFKFMACDEM-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO CCCc1ccc(C[N@H+]2CCCC23CCNCC3)cc1 ZINC001235144426 819014868 /nfs/dbraw/zinc/01/48/68/819014868.db2.gz LIXFUFKFMACDEM-UHFFFAOYSA-N 1 3 272.436 3.357 20 0 CGADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210047 819036372 /nfs/dbraw/zinc/03/63/72/819036372.db2.gz JIQDJXMARNSBFG-ZSGPHXLJSA-N 1 3 286.463 3.052 20 0 CGADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210047 819036380 /nfs/dbraw/zinc/03/63/80/819036380.db2.gz JIQDJXMARNSBFG-ZSGPHXLJSA-N 1 3 286.463 3.052 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc2cccc(F)c2[nH]1 ZINC001235253395 819049352 /nfs/dbraw/zinc/04/93/52/819049352.db2.gz RMUMVBGCVHFZAU-UHFFFAOYSA-N 1 3 277.387 3.081 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc2cccc(F)c2[nH]1 ZINC001235253395 819049358 /nfs/dbraw/zinc/04/93/58/819049358.db2.gz RMUMVBGCVHFZAU-UHFFFAOYSA-N 1 3 277.387 3.081 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F)CC(C)(C)C ZINC001235402345 819086582 /nfs/dbraw/zinc/08/65/82/819086582.db2.gz IYGIUFZEOUNFOZ-INMHGKMJSA-N 1 3 284.463 3.472 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F)CC(C)(C)C ZINC001235402345 819086588 /nfs/dbraw/zinc/08/65/88/819086588.db2.gz IYGIUFZEOUNFOZ-INMHGKMJSA-N 1 3 284.463 3.472 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407687 819087110 /nfs/dbraw/zinc/08/71/10/819087110.db2.gz SWRBFEGFCRDPPA-MOPGFXCFSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407687 819087113 /nfs/dbraw/zinc/08/71/13/819087113.db2.gz SWRBFEGFCRDPPA-MOPGFXCFSA-N 1 3 298.405 3.363 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)C1(C)C ZINC001235409793 819087878 /nfs/dbraw/zinc/08/78/78/819087878.db2.gz WVWFZRDEKSKDJR-RYRKJORJSA-N 1 3 294.458 3.392 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)C1(C)C ZINC001235409793 819087886 /nfs/dbraw/zinc/08/78/86/819087886.db2.gz WVWFZRDEKSKDJR-RYRKJORJSA-N 1 3 294.458 3.392 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@@H](CN)C1 ZINC001235674293 819134834 /nfs/dbraw/zinc/13/48/34/819134834.db2.gz REDIOLJZXBLNCP-HOTGVXAUSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1CCC[C@@H](CN)C1 ZINC001235674293 819134838 /nfs/dbraw/zinc/13/48/38/819134838.db2.gz REDIOLJZXBLNCP-HOTGVXAUSA-N 1 3 252.446 3.430 20 0 CGADHO NCC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235925252 819225449 /nfs/dbraw/zinc/22/54/49/819225449.db2.gz MZAQMFNHMAGXRH-KBMXLJTQSA-N 1 3 278.827 3.257 20 0 CGADHO NCC[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235925252 819225454 /nfs/dbraw/zinc/22/54/54/819225454.db2.gz MZAQMFNHMAGXRH-KBMXLJTQSA-N 1 3 278.827 3.257 20 0 CGADHO COCC[N@H+](CC[C@@H](C)CC(C)(C)C)C1CCNCC1 ZINC001235947007 819235344 /nfs/dbraw/zinc/23/53/44/819235344.db2.gz UJKKSKBZPZLETG-OAHLLOKOSA-N 1 3 284.488 3.149 20 0 CGADHO COCC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1CCNCC1 ZINC001235947007 819235351 /nfs/dbraw/zinc/23/53/51/819235351.db2.gz UJKKSKBZPZLETG-OAHLLOKOSA-N 1 3 284.488 3.149 20 0 CGADHO COCCN(CC[C@@H](C)CC(C)(C)C)C1CC[NH2+]CC1 ZINC001235947007 819235358 /nfs/dbraw/zinc/23/53/58/819235358.db2.gz UJKKSKBZPZLETG-OAHLLOKOSA-N 1 3 284.488 3.149 20 0 CGADHO COCC[N@H+](CC[C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235945344 819236292 /nfs/dbraw/zinc/23/62/92/819236292.db2.gz FXWGBEQQVCPAAT-KRWDZBQOSA-N 1 3 296.499 3.459 20 0 CGADHO COCC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235945344 819236297 /nfs/dbraw/zinc/23/62/97/819236297.db2.gz FXWGBEQQVCPAAT-KRWDZBQOSA-N 1 3 296.499 3.459 20 0 CGADHO COCCN(CC[C@@H](C)CCC=C(C)C)C1CC[NH2+]CC1 ZINC001235945344 819236303 /nfs/dbraw/zinc/23/63/03/819236303.db2.gz FXWGBEQQVCPAAT-KRWDZBQOSA-N 1 3 296.499 3.459 20 0 CGADHO CN(CCCc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC001235952504 819242980 /nfs/dbraw/zinc/24/29/80/819242980.db2.gz YMJVCCWFUKCWRW-HNNXBMFYSA-N 1 3 280.843 3.204 20 0 CGADHO N[C@]12CC[C@@H]1C[N@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989715 819261689 /nfs/dbraw/zinc/26/16/89/819261689.db2.gz JOTNJSOTRHKKHT-APWZRJJASA-N 1 3 296.389 3.416 20 0 CGADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1-c1ccc(F)cc1)C2 ZINC001235989715 819261694 /nfs/dbraw/zinc/26/16/94/819261694.db2.gz JOTNJSOTRHKKHT-APWZRJJASA-N 1 3 296.389 3.416 20 0 CGADHO CCCOc1ccc(CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001236007936 819272505 /nfs/dbraw/zinc/27/25/05/819272505.db2.gz GPPRWAFCVOZURM-UHFFFAOYSA-N 1 3 288.435 3.051 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236072938 819301819 /nfs/dbraw/zinc/30/18/19/819301819.db2.gz ZBJCNDXMGXKBNP-CYBMUJFWSA-N 1 3 298.455 3.341 20 0 CGADHO CCCN(Cc1ccc(C)c(OCC)c1)C1CC[NH2+]CC1 ZINC001236184413 819361024 /nfs/dbraw/zinc/36/10/24/819361024.db2.gz LCLULXQXPCTXNA-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CCC[N@H+](Cc1ccc(C)c(OCC)c1)C1CCNCC1 ZINC001236184413 819361031 /nfs/dbraw/zinc/36/10/31/819361031.db2.gz LCLULXQXPCTXNA-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CCC[N@@H+](Cc1ccc(C)c(OCC)c1)C1CCNCC1 ZINC001236184413 819361039 /nfs/dbraw/zinc/36/10/39/819361039.db2.gz LCLULXQXPCTXNA-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CC[C@H](N)C[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236194239 819364171 /nfs/dbraw/zinc/36/41/71/819364171.db2.gz UVKFYQJHNRNJEL-LRDDRELGSA-N 1 3 257.381 3.042 20 0 CGADHO CC[C@H](N)C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236194239 819364178 /nfs/dbraw/zinc/36/41/78/819364178.db2.gz UVKFYQJHNRNJEL-LRDDRELGSA-N 1 3 257.381 3.042 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@@H]2CCCC[C@H]2N)cc1C ZINC001236211015 819372722 /nfs/dbraw/zinc/37/27/22/819372722.db2.gz FIUAFYYHCUBELX-HZPDHXFCSA-N 1 3 276.424 3.014 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)cc1C ZINC001236211015 819372727 /nfs/dbraw/zinc/37/27/27/819372727.db2.gz FIUAFYYHCUBELX-HZPDHXFCSA-N 1 3 276.424 3.014 20 0 CGADHO Nc1ccccc1CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374518 819442741 /nfs/dbraw/zinc/44/27/41/819442741.db2.gz DKJSZEQJVOUWEC-HNNXBMFYSA-N 1 3 287.451 3.013 20 0 CGADHO Nc1ccccc1C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236374518 819442747 /nfs/dbraw/zinc/44/27/47/819442747.db2.gz DKJSZEQJVOUWEC-HNNXBMFYSA-N 1 3 287.451 3.013 20 0 CGADHO Nc1ccccc1C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236374518 819442754 /nfs/dbraw/zinc/44/27/54/819442754.db2.gz DKJSZEQJVOUWEC-HNNXBMFYSA-N 1 3 287.451 3.013 20 0 CGADHO CCCCN(Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518684 819512494 /nfs/dbraw/zinc/51/24/94/819512494.db2.gz SZYGXDDGTVWJJN-UHFFFAOYSA-N 1 3 278.415 3.488 20 0 CGADHO CCCC[N@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518684 819512500 /nfs/dbraw/zinc/51/25/00/819512500.db2.gz SZYGXDDGTVWJJN-UHFFFAOYSA-N 1 3 278.415 3.488 20 0 CGADHO CCCC[N@@H+](Cc1ccc(F)cc1C)C1CCNCC1 ZINC001236518684 819512504 /nfs/dbraw/zinc/51/25/04/819512504.db2.gz SZYGXDDGTVWJJN-UHFFFAOYSA-N 1 3 278.415 3.488 20 0 CGADHO Fc1ccc(CCCN(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236584852 819545397 /nfs/dbraw/zinc/54/53/97/819545397.db2.gz WKXJKNFPFXCRGO-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1ccc(CCC[N@H+](C[C@H]2CCCNC2)C2CC2)cc1 ZINC001236584852 819545402 /nfs/dbraw/zinc/54/54/02/819545402.db2.gz WKXJKNFPFXCRGO-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO Fc1ccc(CCC[N@@H+](C[C@H]2CCCNC2)C2CC2)cc1 ZINC001236584852 819545406 /nfs/dbraw/zinc/54/54/06/819545406.db2.gz WKXJKNFPFXCRGO-INIZCTEOSA-N 1 3 290.426 3.222 20 0 CGADHO CCCN(Cc1cccc(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236834286 819612863 /nfs/dbraw/zinc/61/28/63/819612863.db2.gz GMOZMUKVCSSFTJ-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO CCCN(Cc1cc(C)c(OC)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836251 819614825 /nfs/dbraw/zinc/61/48/25/819614825.db2.gz UADPFHXKRUCPTA-MRXNPFEDSA-N 1 3 290.451 3.134 20 0 CGADHO CCCN(Cc1cccc2occc21)C[C@@H]1CC[NH2+]C1 ZINC001236845122 819620104 /nfs/dbraw/zinc/62/01/04/819620104.db2.gz YXYGCRZCCOURAG-CQSZACIVSA-N 1 3 272.392 3.254 20 0 CGADHO CCc1ccc(CN2CCC(CC3CC[NH2+]CC3)CC2)o1 ZINC001236947969 819638589 /nfs/dbraw/zinc/63/85/89/819638589.db2.gz NPWICPJBPZKPHZ-UHFFFAOYSA-N 1 3 290.451 3.444 20 0 CGADHO Cc1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)sn1 ZINC001236961542 819640094 /nfs/dbraw/zinc/64/00/94/819640094.db2.gz BYRRLTWBFWFWFU-UHFFFAOYSA-N 1 3 293.480 3.053 20 0 CGADHO CCCc1ccc(CN2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237058382 819655942 /nfs/dbraw/zinc/65/59/42/819655942.db2.gz PMXVKQFGXBYCSY-KRWDZBQOSA-N 1 3 260.425 3.200 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078814 819662411 /nfs/dbraw/zinc/66/24/11/819662411.db2.gz RVUGKJUXEXYZKO-WXYCVUISSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001237078814 819662415 /nfs/dbraw/zinc/66/24/15/819662415.db2.gz RVUGKJUXEXYZKO-WXYCVUISSA-N 1 3 278.827 3.113 20 0 CGADHO CC[C@@H](N)C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265083 819712263 /nfs/dbraw/zinc/71/22/63/819712263.db2.gz LRIKTKBSATUPCE-HZPDHXFCSA-N 1 3 290.451 3.391 20 0 CGADHO CC[C@@H](N)C[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001237265083 819712268 /nfs/dbraw/zinc/71/22/68/819712268.db2.gz LRIKTKBSATUPCE-HZPDHXFCSA-N 1 3 290.451 3.391 20 0 CGADHO CC(C)C1=NCCc2ccc(C[N@H+](C)C3CC3)cc21 ZINC001237880629 819869019 /nfs/dbraw/zinc/86/90/19/819869019.db2.gz HQDMIPKTCVZMCP-UHFFFAOYSA-N 1 3 256.393 3.282 20 0 CGADHO CC(C)C1=NCCc2ccc(C[N@@H+](C)C3CC3)cc21 ZINC001237880629 819869031 /nfs/dbraw/zinc/86/90/31/819869031.db2.gz HQDMIPKTCVZMCP-UHFFFAOYSA-N 1 3 256.393 3.282 20 0 CGADHO Cc1c(Cl)ccc(CN(C)C2CC[NH+](C)CC2)c1C ZINC001238216292 819960359 /nfs/dbraw/zinc/96/03/59/819960359.db2.gz ULCISLDWCINTCM-UHFFFAOYSA-N 1 3 280.843 3.483 20 0 CGADHO CN1CCCC[C@@H]1c1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240874855 821383066 /nfs/dbraw/zinc/38/30/66/821383066.db2.gz BWAHDEPXMQZGLH-QGZVFWFLSA-N 1 3 271.408 3.005 20 0 CGADHO CC(C)Cc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001241326041 821734074 /nfs/dbraw/zinc/73/40/74/821734074.db2.gz RQWQZASOXMRPFV-UHFFFAOYSA-N 1 3 295.430 3.357 20 0 CGADHO c1nn(C2CC[NH2+]CC2)cc1-c1ccc(C2=NCCC2)cc1 ZINC001241775084 822138856 /nfs/dbraw/zinc/13/88/56/822138856.db2.gz UGAAEOIRCLSCHX-UHFFFAOYSA-N 1 3 294.402 3.058 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC001339276579 936364074 /nfs/dbraw/zinc/36/40/74/936364074.db2.gz PJOJGNZVHOSKSY-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC001339276579 936364076 /nfs/dbraw/zinc/36/40/76/936364076.db2.gz PJOJGNZVHOSKSY-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC001339276579 936364079 /nfs/dbraw/zinc/36/40/79/936364079.db2.gz PJOJGNZVHOSKSY-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO COc1ccc(CNC2CCC([NH+]3CCCCC3)CC2)o1 ZINC001342978517 936485988 /nfs/dbraw/zinc/48/59/88/936485988.db2.gz HCVFVTNBHYMIFT-UHFFFAOYSA-N 1 3 292.423 3.175 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC001345483478 936812457 /nfs/dbraw/zinc/81/24/57/936812457.db2.gz SCOOTYFXWIYGPT-FRRDWIJNSA-N 1 3 291.464 3.376 20 0 CGADHO COC[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C(C)C ZINC001351284984 937013770 /nfs/dbraw/zinc/01/37/70/937013770.db2.gz YMJFSRUABREPEP-ZACQAIPSSA-N 1 3 296.499 3.148 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001459590553 937492701 /nfs/dbraw/zinc/49/27/01/937492701.db2.gz XQYXEHPLEBZVMT-FGTMMUONSA-N 1 3 290.426 3.488 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001459590553 937492703 /nfs/dbraw/zinc/49/27/03/937492703.db2.gz XQYXEHPLEBZVMT-FGTMMUONSA-N 1 3 290.426 3.488 20 0 CGADHO CCC[C@H](C)CCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001460531221 937534489 /nfs/dbraw/zinc/53/44/89/937534489.db2.gz DMHAJPBSEFSDIC-DLBZAZTESA-N 1 3 284.488 3.245 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC001461123681 937565097 /nfs/dbraw/zinc/56/50/97/937565097.db2.gz YVRBRHXYOPKLDI-ARFHVFGLSA-N 1 3 252.446 3.134 20 0 CGADHO CCOC1CC(NCCC[N@H+](CC)C2CCCCC2)C1 ZINC001462409563 937638721 /nfs/dbraw/zinc/63/87/21/937638721.db2.gz UZGFPXQSEGFLJA-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO CCOC1CC(NCCC[N@@H+](CC)C2CCCCC2)C1 ZINC001462409563 937638723 /nfs/dbraw/zinc/63/87/23/937638723.db2.gz UZGFPXQSEGFLJA-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462473825 937643836 /nfs/dbraw/zinc/64/38/36/937643836.db2.gz BUJZWPAGORYERL-FAEJEUNOSA-N 1 3 294.483 3.188 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001308231677 933077614 /nfs/dbraw/zinc/07/76/14/933077614.db2.gz MBMJMXKMJRWBMG-AWEZNQCLSA-N 1 3 289.448 3.118 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC001308417935 933108949 /nfs/dbraw/zinc/10/89/49/933108949.db2.gz HQAZNEHXDFSXKI-XHSDSOJGSA-N 1 3 254.462 3.379 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001308553119 933130320 /nfs/dbraw/zinc/13/03/20/933130320.db2.gz HCIGSXYQCFXQKT-NQNKBUKLSA-N 1 3 264.457 3.131 20 0 CGADHO CN1CCCC[C@H](C[NH2+]CCCc2ccc(F)c(F)c2)C1 ZINC001308864376 933192512 /nfs/dbraw/zinc/19/25/12/933192512.db2.gz PTSQYILLHQELHG-OAHLLOKOSA-N 1 3 296.405 3.219 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCC34CCCCC4)[C@@H]2C1 ZINC001308985037 933222939 /nfs/dbraw/zinc/22/29/39/933222939.db2.gz VYGZNAREOZFYRV-YVSFHVDLSA-N 1 3 276.468 3.419 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001319753554 933927879 /nfs/dbraw/zinc/92/78/79/933927879.db2.gz DKFQSSRYYCOLFY-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001319753554 933927883 /nfs/dbraw/zinc/92/78/83/933927883.db2.gz DKFQSSRYYCOLFY-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCN1CCCC1 ZINC001326283542 934966296 /nfs/dbraw/zinc/96/62/96/934966296.db2.gz OYANRKXNFYISCV-AWEZNQCLSA-N 1 3 264.388 3.271 20 0 CGADHO Cc1ccccc1[C@H](NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC001333582336 935548699 /nfs/dbraw/zinc/54/86/99/935548699.db2.gz KNSLFWRUNDZBTQ-NVXWUHKLSA-N 1 3 260.425 3.281 20 0 CGADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001474435274 937859365 /nfs/dbraw/zinc/85/93/65/937859365.db2.gz CZTDTXCIOFKCLL-NCOADZHNSA-N 1 3 294.483 3.044 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1CCC2(CSC2)CC1 ZINC001474759867 937879290 /nfs/dbraw/zinc/87/92/90/937879290.db2.gz WPWMCKSENZJJCZ-AWEZNQCLSA-N 1 3 284.513 3.372 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC001549548337 938157937 /nfs/dbraw/zinc/15/79/37/938157937.db2.gz VSSCMRAMPIZSRW-XMTFNYHQSA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC001549548337 938157938 /nfs/dbraw/zinc/15/79/38/938157938.db2.gz VSSCMRAMPIZSRW-XMTFNYHQSA-N 1 3 284.447 3.395 20 0 CGADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)[C@@H]1C[C@H]1C ZINC001551403766 938181840 /nfs/dbraw/zinc/18/18/40/938181840.db2.gz YRZBDIWHICCSDY-ZGOYPJMSSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC001552080892 938189917 /nfs/dbraw/zinc/18/99/17/938189917.db2.gz XMOZCILCCPNHJP-FDRIWYBQSA-N 1 3 296.817 3.313 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc3occc32)C1 ZINC001553291423 938197943 /nfs/dbraw/zinc/19/79/43/938197943.db2.gz JBJBPTCYDMQNBM-AWEZNQCLSA-N 1 3 272.392 3.301 20 0 CGADHO CC[N@H+](CCOc1ccccc1C)CC[C@H]1CCCN1C ZINC001559927410 938239495 /nfs/dbraw/zinc/23/94/95/938239495.db2.gz RLJPFGHQMSJXAG-QGZVFWFLSA-N 1 3 290.451 3.180 20 0 CGADHO CC[N@@H+](CCOc1ccccc1C)CC[C@H]1CCCN1C ZINC001559927410 938239496 /nfs/dbraw/zinc/23/94/96/938239496.db2.gz RLJPFGHQMSJXAG-QGZVFWFLSA-N 1 3 290.451 3.180 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC[C@@H](C)N(C)C ZINC001560546658 938262542 /nfs/dbraw/zinc/26/25/42/938262542.db2.gz CPVRXGVUAMILPZ-GFCCVEGCSA-N 1 3 288.357 3.444 20 0 CGADHO C[NH+]1CCC2(CCCN(Cc3cccn3C(F)F)C2)CC1 ZINC001560789112 938275739 /nfs/dbraw/zinc/27/57/39/938275739.db2.gz NVRWWEGEODUMKE-UHFFFAOYSA-N 1 3 297.393 3.191 20 0 CGADHO CC(C)[C@@H](C[NH3+])CN(Cc1ccc(F)cc1)C1CC1 ZINC001575423288 962374445 /nfs/dbraw/zinc/37/44/45/962374445.db2.gz RIAHCXXBDRPAMX-AWEZNQCLSA-N 1 3 264.388 3.021 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001575546301 962385259 /nfs/dbraw/zinc/38/52/59/962385259.db2.gz VRCVBNKZGHTXQC-HRCADAONSA-N 1 3 280.843 3.377 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)N[C@H]1C[C@@H]([NH3+])C1 ZINC001575546301 962385270 /nfs/dbraw/zinc/38/52/70/962385270.db2.gz VRCVBNKZGHTXQC-HRCADAONSA-N 1 3 280.843 3.377 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC001575615188 962400300 /nfs/dbraw/zinc/40/03/00/962400300.db2.gz KBPMBMYJIKPMRQ-AEFFLSMTSA-N 1 3 290.451 3.329 20 0 CGADHO CC1(C)CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CCN)C1 ZINC001576427285 962460979 /nfs/dbraw/zinc/46/09/79/962460979.db2.gz VMDKMCHHZMRSBD-HUUCEWRRSA-N 1 3 252.446 3.406 20 0 CGADHO CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@@H]2CCN)C1 ZINC001576427285 962460989 /nfs/dbraw/zinc/46/09/89/962460989.db2.gz VMDKMCHHZMRSBD-HUUCEWRRSA-N 1 3 252.446 3.406 20 0 CGADHO CCC(CC)(C[NH3+])CNCc1ccc2ncccc2c1 ZINC001577052161 962508440 /nfs/dbraw/zinc/50/84/40/962508440.db2.gz KQLGYAQNLCGHHN-UHFFFAOYSA-N 1 3 271.408 3.090 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001577254467 962518738 /nfs/dbraw/zinc/51/87/38/962518738.db2.gz LIUPQDQHFMPLCW-OCCSQVGLSA-N 1 3 293.480 3.189 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32CN)s1 ZINC001577608632 962557795 /nfs/dbraw/zinc/55/77/95/962557795.db2.gz JNSYDNGUVAQATQ-WFASDCNBSA-N 1 3 264.438 3.014 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32CN)s1 ZINC001577608632 962557806 /nfs/dbraw/zinc/55/78/06/962557806.db2.gz JNSYDNGUVAQATQ-WFASDCNBSA-N 1 3 264.438 3.014 20 0 CGADHO C[N@H+](CCc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001578478841 962596236 /nfs/dbraw/zinc/59/62/36/962596236.db2.gz VQKMBISUYXJTFC-UHFFFAOYSA-N 1 3 274.452 3.210 20 0 CGADHO C[N@@H+](CCc1ccc(C(C)(C)C)cc1)C1CCNCC1 ZINC001578478841 962596249 /nfs/dbraw/zinc/59/62/49/962596249.db2.gz VQKMBISUYXJTFC-UHFFFAOYSA-N 1 3 274.452 3.210 20 0 CGADHO CO[C@](C)(C[NH2+]C[C@H](N)CCC(C)(C)C)c1ccccc1 ZINC001578897875 962600058 /nfs/dbraw/zinc/60/00/58/962600058.db2.gz ZMOQGKGTBSCOQS-SJLPKXTDSA-N 1 3 292.467 3.291 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3C[C@H]([NH3+])C34CCC4)C2)cc1 ZINC001579677809 962654421 /nfs/dbraw/zinc/65/44/21/962654421.db2.gz CPLRRBKEJWNLJW-GQGLESIBSA-N 1 3 270.420 3.101 20 0 CGADHO Cc1cccc2c1CN(Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001579779816 962674077 /nfs/dbraw/zinc/67/40/77/962674077.db2.gz RYHCXFISAVZHBD-UHFFFAOYSA-N 1 3 298.455 3.261 20 0 CGADHO NCCC[N@H+](CC1CCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001580297723 962713044 /nfs/dbraw/zinc/71/30/44/962713044.db2.gz YWOPNQUNGOJPKQ-IXDOHACOSA-N 1 3 264.457 3.264 20 0 CGADHO NCCC[N@@H+](CC1CCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001580297723 962713054 /nfs/dbraw/zinc/71/30/54/962713054.db2.gz YWOPNQUNGOJPKQ-IXDOHACOSA-N 1 3 264.457 3.264 20 0 CGADHO CCc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2ccccc2n1 ZINC000124514111 187140971 /nfs/dbraw/zinc/14/09/71/187140971.db2.gz YTZZCICLLRRNGW-INIZCTEOSA-N 1 3 295.430 3.472 20 0 CGADHO CCCc1ccc(C[NH2+]CC2=CCN(C)CC2)s1 ZINC000621343385 349502550 /nfs/dbraw/zinc/50/25/50/349502550.db2.gz FKUGONUDVOJAHO-UHFFFAOYSA-N 1 3 264.438 3.052 20 0 CGADHO CC[NH+]1CCC(NCc2cccc3ccsc32)CC1 ZINC000651863575 398297479 /nfs/dbraw/zinc/29/74/79/398297479.db2.gz OFGSAIRIYRYDQO-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459031 529453368 /nfs/dbraw/zinc/45/33/68/529453368.db2.gz HLRGSHYUQNVSNT-JQWIXIFHSA-N 1 3 288.407 3.432 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423456124 529453686 /nfs/dbraw/zinc/45/36/86/529453686.db2.gz DFRGADVOEFVEBI-FUHWJXTLSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442293 529567973 /nfs/dbraw/zinc/56/79/73/529567973.db2.gz BMZAGQRHRZJVBU-SUMWQHHRSA-N 1 3 269.392 3.137 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000423457815 529568839 /nfs/dbraw/zinc/56/88/39/529568839.db2.gz GBGOGQARRLXILQ-PBHICJAKSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442284 529568999 /nfs/dbraw/zinc/56/89/99/529568999.db2.gz BMZAGQRHRZJVBU-CXAGYDPISA-N 1 3 269.392 3.137 20 0 CGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000449103114 529596572 /nfs/dbraw/zinc/59/65/72/529596572.db2.gz OPOJUVMXSQWYDO-JZXOWHBKSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC1)c1cccc(F)c1 ZINC000166427243 529596775 /nfs/dbraw/zinc/59/67/75/529596775.db2.gz CUXVCQUMNKLMQH-INIZCTEOSA-N 1 3 264.388 3.352 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423448993 529662810 /nfs/dbraw/zinc/66/28/10/529662810.db2.gz VSQWTNBFIPQMNO-BHYGNILZSA-N 1 3 276.399 3.255 20 0 CGADHO C[C@@H](COc1cccc(F)c1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371580 349792533 /nfs/dbraw/zinc/79/25/33/349792533.db2.gz JXNBNHFOXDJAKM-ZFWWWQNUSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@@H](COc1cccc(F)c1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371580 349792535 /nfs/dbraw/zinc/79/25/35/349792535.db2.gz JXNBNHFOXDJAKM-ZFWWWQNUSA-N 1 3 294.414 3.055 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273156718 192060453 /nfs/dbraw/zinc/06/04/53/192060453.db2.gz JIKHNPNEAHTSLR-HNNXBMFYSA-N 1 3 290.451 3.447 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)COC(C)C)cc1 ZINC000337336552 214013866 /nfs/dbraw/zinc/01/38/66/214013866.db2.gz MEEGKFSAOQNMBE-MRXNPFEDSA-N 1 3 292.467 3.432 20 0 CGADHO CCSc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)ccn1 ZINC000623497078 349820832 /nfs/dbraw/zinc/82/08/32/349820832.db2.gz WDQKEQJWASUHAV-AWEZNQCLSA-N 1 3 293.480 3.156 20 0 CGADHO COc1ccccc1/C=C/C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656176 349858187 /nfs/dbraw/zinc/85/81/87/349858187.db2.gz OOCHGWCVXBVMOQ-OJXHRBAXSA-N 1 3 288.435 3.030 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000423273680 529999565 /nfs/dbraw/zinc/99/95/65/529999565.db2.gz LIAKHHYXLQSEKZ-BLLLJJGKSA-N 1 3 260.425 3.126 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)c1cc2ccccc2s1 ZINC000423268759 529999788 /nfs/dbraw/zinc/99/97/88/529999788.db2.gz GJSJCBIZOLSSDO-NWDGAFQWSA-N 1 3 262.422 3.407 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)c1cc2c(s1)CCCC2 ZINC000423267828 529999892 /nfs/dbraw/zinc/99/98/92/529999892.db2.gz FJFMOLIZPWPSDK-NWDGAFQWSA-N 1 3 266.454 3.133 20 0 CGADHO CCC1CCC([NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000040620913 344964032 /nfs/dbraw/zinc/96/40/32/344964032.db2.gz YUZZDCCJKYTJFT-PCKAHOCUSA-N 1 3 252.446 3.275 20 0 CGADHO CCOc1ccccc1[C@H](C)NCC1CC[NH+](CC)CC1 ZINC000044517444 345011469 /nfs/dbraw/zinc/01/14/69/345011469.db2.gz XVOVRFMJHIVTPR-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1ccc(C)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000049670306 345074990 /nfs/dbraw/zinc/07/49/90/345074990.db2.gz NUBILISLLGPDBY-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1ccc(C)c(CNC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000049670306 345074994 /nfs/dbraw/zinc/07/49/94/345074994.db2.gz NUBILISLLGPDBY-INIZCTEOSA-N 1 3 260.425 3.123 20 0 CGADHO CC[N@H+](CC[C@H]1CCCCN1C)Cc1ccc(OC)cc1 ZINC000351643309 219159700 /nfs/dbraw/zinc/15/97/00/219159700.db2.gz IMWLWHKDWVDLHV-QGZVFWFLSA-N 1 3 290.451 3.392 20 0 CGADHO CC[N@@H+](CC[C@H]1CCCCN1C)Cc1ccc(OC)cc1 ZINC000351643309 219159702 /nfs/dbraw/zinc/15/97/02/219159702.db2.gz IMWLWHKDWVDLHV-QGZVFWFLSA-N 1 3 290.451 3.392 20 0 CGADHO c1cc(N2CCC([NH2+]CC(C3CC3)C3CC3)CC2)ccn1 ZINC000088456044 345760977 /nfs/dbraw/zinc/76/09/77/345760977.db2.gz XASURZCDZPPHKQ-UHFFFAOYSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000089551718 345771073 /nfs/dbraw/zinc/77/10/73/345771073.db2.gz JKAWDKWAWCKRCJ-VKJFTORMSA-N 1 3 290.451 3.466 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646095 219160413 /nfs/dbraw/zinc/16/04/13/219160413.db2.gz ORNDORIYWPZFGQ-LSDHHAIUSA-N 1 3 293.480 3.197 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000351646095 219160415 /nfs/dbraw/zinc/16/04/15/219160415.db2.gz ORNDORIYWPZFGQ-LSDHHAIUSA-N 1 3 293.480 3.197 20 0 CGADHO C[C@@H](NCC1CC[NH2+]CC1)c1ccccc1Br ZINC000094009766 345893954 /nfs/dbraw/zinc/89/39/54/345893954.db2.gz QQGKQDVSZMCLHY-LLVKDONJSA-N 1 3 297.240 3.099 20 0 CGADHO C[NH+](C)CCC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177735354 232375243 /nfs/dbraw/zinc/37/52/43/232375243.db2.gz GNJIIAZQDWMJPU-SFHVURJKSA-N 1 3 290.426 3.477 20 0 CGADHO C[C@@H]1CCC[N@@H+](C/C=C\CN2CCC[C@H](C)C2)C1 ZINC000255842249 346398252 /nfs/dbraw/zinc/39/82/52/346398252.db2.gz HCMARDYPQODIDQ-SSGMOAHOSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCC[N@H+](C/C=C\CN2CCC[C@H](C)C2)C1 ZINC000255842249 346398255 /nfs/dbraw/zinc/39/82/55/346398255.db2.gz HCMARDYPQODIDQ-SSGMOAHOSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000255842249 346398261 /nfs/dbraw/zinc/39/82/61/346398261.db2.gz HCMARDYPQODIDQ-SSGMOAHOSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@H](C)C2)C1 ZINC000255842249 346398266 /nfs/dbraw/zinc/39/82/66/346398266.db2.gz HCMARDYPQODIDQ-SSGMOAHOSA-N 1 3 250.430 3.006 20 0 CGADHO C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)C1CCCCC1 ZINC000257730610 346400799 /nfs/dbraw/zinc/40/07/99/346400799.db2.gz XBDATCPDJIRGMS-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO C(C[N@H+]1CC[C@@]2(C1)CCCNC2)C1CCCCC1 ZINC000257730610 346400803 /nfs/dbraw/zinc/40/08/03/346400803.db2.gz XBDATCPDJIRGMS-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO CC[NH+]1CCC(CNCc2ccsc2Cl)CC1 ZINC000312549381 346477471 /nfs/dbraw/zinc/47/74/71/346477471.db2.gz BIGNXHMZXJIFEN-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119432 349975857 /nfs/dbraw/zinc/97/58/57/349975857.db2.gz BCFITTDXJRJYSF-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2ccncc2)CC1 ZINC000600635868 347821438 /nfs/dbraw/zinc/82/14/38/347821438.db2.gz IAZZAMAMFGNOEG-OAHLLOKOSA-N 1 3 275.440 3.195 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2ccncc2)CC1 ZINC000600635868 347821439 /nfs/dbraw/zinc/82/14/39/347821439.db2.gz IAZZAMAMFGNOEG-OAHLLOKOSA-N 1 3 275.440 3.195 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000624120657 349976769 /nfs/dbraw/zinc/97/67/69/349976769.db2.gz DOVZTHIXBMTIQD-DJIMGWMZSA-N 1 3 264.457 3.277 20 0 CGADHO CCSCC[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000602728013 348019622 /nfs/dbraw/zinc/01/96/22/348019622.db2.gz HDZHAKQDDOKZMS-DOTOQJQBSA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728013 348019626 /nfs/dbraw/zinc/01/96/26/348019626.db2.gz HDZHAKQDDOKZMS-DOTOQJQBSA-N 1 3 292.492 3.097 20 0 CGADHO CCSCCNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728013 348019629 /nfs/dbraw/zinc/01/96/29/348019629.db2.gz HDZHAKQDDOKZMS-DOTOQJQBSA-N 1 3 292.492 3.097 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123467 349983073 /nfs/dbraw/zinc/98/30/73/349983073.db2.gz MHWOIUAJFORCCD-HRCADAONSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000624123245 349983150 /nfs/dbraw/zinc/98/31/50/349983150.db2.gz IQLDPDLPWWDRPO-FXUDXRNXSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000624123248 349982605 /nfs/dbraw/zinc/98/26/05/349982605.db2.gz IQLDPDLPWWDRPO-UGUYLWEFSA-N 1 3 252.446 3.133 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(CCCc3ccsc3)C2)C1 ZINC000339439270 215173234 /nfs/dbraw/zinc/17/32/34/215173234.db2.gz SUUDLKFWGSNWGF-MRXNPFEDSA-N 1 3 278.465 3.098 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(CCCc3ccsc3)C2)C1 ZINC000339439270 215173235 /nfs/dbraw/zinc/17/32/35/215173235.db2.gz SUUDLKFWGSNWGF-MRXNPFEDSA-N 1 3 278.465 3.098 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000613262390 348582225 /nfs/dbraw/zinc/58/22/25/348582225.db2.gz CPPZVNSAYQRZKH-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO Cc1cccc(C)c1OCCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000358354357 233114789 /nfs/dbraw/zinc/11/47/89/233114789.db2.gz KDDAPMZXASHPAG-KRWDZBQOSA-N 1 3 290.451 3.146 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000358381578 233121038 /nfs/dbraw/zinc/12/10/38/233121038.db2.gz MHKUPBLUQOOMCI-IPYPFGDCSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1F ZINC000358381578 233121039 /nfs/dbraw/zinc/12/10/39/233121039.db2.gz MHKUPBLUQOOMCI-IPYPFGDCSA-N 1 3 264.388 3.267 20 0 CGADHO COC1(CNCCC[NH+](C(C)C)C(C)C)CCCCC1 ZINC000359741469 233370326 /nfs/dbraw/zinc/37/03/26/233370326.db2.gz JCCLPRLKGLASQP-UHFFFAOYSA-N 1 3 284.488 3.434 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628184046 350427484 /nfs/dbraw/zinc/42/74/84/350427484.db2.gz XUGHYTAWQVWTPB-KRWDZBQOSA-N 1 3 285.435 3.474 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628184046 350427487 /nfs/dbraw/zinc/42/74/87/350427487.db2.gz XUGHYTAWQVWTPB-KRWDZBQOSA-N 1 3 285.435 3.474 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)CN1 ZINC000629535132 350704940 /nfs/dbraw/zinc/70/49/40/350704940.db2.gz CCRGSMOSVGZANX-LOUJCGABSA-N 1 3 258.409 3.355 20 0 CGADHO Cc1ccc(C[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537348 350706144 /nfs/dbraw/zinc/70/61/44/350706144.db2.gz INGGPMSTIGSESZ-QGTPRVQTSA-N 1 3 272.436 3.046 20 0 CGADHO [NH3+]CCCOCCN[C@H](c1ccccc1F)C1CCCC1 ZINC000629540543 350707351 /nfs/dbraw/zinc/70/73/51/350707351.db2.gz VTFTUGCDBDOTFI-KRWDZBQOSA-N 1 3 294.414 3.012 20 0 CGADHO [NH3+]CCCOCCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000629540545 350707769 /nfs/dbraw/zinc/70/77/69/350707769.db2.gz VTFTUGCDBDOTFI-QGZVFWFLSA-N 1 3 294.414 3.012 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544277 350709435 /nfs/dbraw/zinc/70/94/35/350709435.db2.gz HGTWCAAVDMQSKY-VHSXEESVSA-N 1 3 297.805 3.218 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCCC12CC2 ZINC000629554925 350712148 /nfs/dbraw/zinc/71/21/48/350712148.db2.gz OTPVCBLEBJKWTG-NXOAAHMSSA-N 1 3 276.468 3.467 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556653 350713029 /nfs/dbraw/zinc/71/30/29/350713029.db2.gz WMJBYAAQDYRUOC-XHDPSFHLSA-N 1 3 291.826 3.081 20 0 CGADHO CCC(C)(C)CCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561509 350713789 /nfs/dbraw/zinc/71/37/89/350713789.db2.gz IGEDKNXLEPNFAK-NEPJUHHUSA-N 1 3 280.378 3.272 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000629564898 350714063 /nfs/dbraw/zinc/71/40/63/350714063.db2.gz VPUVZZFYBGMCAB-KGLIPLIRSA-N 1 3 292.389 3.416 20 0 CGADHO COc1ccc(C2CCC([NH2+][C@@H]3CCN[C@H]3C)CC2)cc1 ZINC000629408505 350688909 /nfs/dbraw/zinc/68/89/09/350688909.db2.gz VXSMMBAUBPPRMF-RXVBYEJPSA-N 1 3 288.435 3.061 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000629407499 350689187 /nfs/dbraw/zinc/68/91/87/350689187.db2.gz BSHCOVMLIOANGL-DZOHQFGASA-N 1 3 272.436 3.443 20 0 CGADHO Cc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H](N)c3ccccc31)CO2 ZINC000629516007 350699835 /nfs/dbraw/zinc/69/98/35/350699835.db2.gz YYMUEVVVADQHQO-DOPJRALCSA-N 1 3 294.398 3.033 20 0 CGADHO Cc1scc(C[NH2+]C2CC(N3CCCCC3)C2)c1C ZINC000631125369 350963692 /nfs/dbraw/zinc/96/36/92/350963692.db2.gz IRRCRURZOQJBPM-UHFFFAOYSA-N 1 3 278.465 3.471 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000634957492 351609790 /nfs/dbraw/zinc/60/97/90/351609790.db2.gz OLKGOYVAPUHJKA-INIZCTEOSA-N 1 3 286.463 3.254 20 0 CGADHO c1ccc([C@@H]2CN(CC34CC(C3)C[NH2+]4)[C@@H]3CCCC[C@@H]23)cc1 ZINC000634995118 351619134 /nfs/dbraw/zinc/61/91/34/351619134.db2.gz VQOWAJMXKVFJLV-BGISDLHQSA-N 1 3 296.458 3.397 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000635004099 351622770 /nfs/dbraw/zinc/62/27/70/351622770.db2.gz NDFOIICMQOMILC-YLFCFFPRSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)C1)c1cccc(OCCN(C)C)c1 ZINC000271569280 191218838 /nfs/dbraw/zinc/21/88/38/191218838.db2.gz YWOVWQDYTNLXRJ-NPCAHTBFSA-N 1 3 276.424 3.076 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613448 234232006 /nfs/dbraw/zinc/23/20/06/234232006.db2.gz COOYERNALZIKMO-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613448 234232010 /nfs/dbraw/zinc/23/20/10/234232010.db2.gz COOYERNALZIKMO-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cscc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367613448 234232013 /nfs/dbraw/zinc/23/20/13/234232013.db2.gz COOYERNALZIKMO-RBSFLKMASA-N 1 3 264.438 3.019 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129211294 290387480 /nfs/dbraw/zinc/38/74/80/290387480.db2.gz SLMXBDVIKALVSP-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143133 290405166 /nfs/dbraw/zinc/40/51/66/290405166.db2.gz DUNRMBZNRRMVCX-JSGCOSHPSA-N 1 3 252.446 3.464 20 0 CGADHO CC(C)[C@H]([NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000271822331 191348842 /nfs/dbraw/zinc/34/88/42/191348842.db2.gz COYSOJHQSGFODG-KRWDZBQOSA-N 1 3 258.409 3.235 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)c(C)c1 ZINC000271872436 191380616 /nfs/dbraw/zinc/38/06/16/191380616.db2.gz MZDMIYOGBPOSLA-HNNXBMFYSA-N 1 3 258.409 3.216 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000414179666 235355913 /nfs/dbraw/zinc/35/59/13/235355913.db2.gz LMEKLIRBMVCOET-ZIAGYGMSSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000414179666 235355916 /nfs/dbraw/zinc/35/59/16/235355916.db2.gz LMEKLIRBMVCOET-ZIAGYGMSSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171651 235352830 /nfs/dbraw/zinc/35/28/30/235352830.db2.gz DJNMKZYZXIJIFG-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414171651 235352831 /nfs/dbraw/zinc/35/28/31/235352831.db2.gz DJNMKZYZXIJIFG-CHWSQXEVSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926847 235496010 /nfs/dbraw/zinc/49/60/10/235496010.db2.gz NTETZJUACLFZHP-CHWSQXEVSA-N 1 3 258.365 3.101 20 0 CGADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000110644970 138363604 /nfs/dbraw/zinc/36/36/04/138363604.db2.gz TWHNWENJPDPEEK-RYUDHWBXSA-N 1 3 266.816 3.460 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccccc1C(F)(F)F ZINC000422922168 235942943 /nfs/dbraw/zinc/94/29/43/235942943.db2.gz PRJNDGODUDUFGH-HBNTYKKESA-N 1 3 274.330 3.482 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccc2ccccc21 ZINC000422932424 235944728 /nfs/dbraw/zinc/94/47/28/235944728.db2.gz FSARDSYSYKRMTI-KBPBESRZSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1cccc2ccccc21 ZINC000422932424 235944729 /nfs/dbraw/zinc/94/47/29/235944729.db2.gz FSARDSYSYKRMTI-KBPBESRZSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423065476 235967405 /nfs/dbraw/zinc/96/74/05/235967405.db2.gz BITDNTCDQDCJSN-USXIJHARSA-N 1 3 294.483 3.221 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000423077032 235968802 /nfs/dbraw/zinc/96/88/02/235968802.db2.gz LCKWGUOMQXZGDM-SJORKVTESA-N 1 3 258.409 3.171 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423263600 236013924 /nfs/dbraw/zinc/01/39/24/236013924.db2.gz BDNCYZHGZSUGAM-FZMZJTMJSA-N 1 3 252.427 3.042 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(-c2ccncc2)cc1 ZINC000423282171 236020711 /nfs/dbraw/zinc/02/07/11/236020711.db2.gz CDTJCUCCGNWRGQ-ZDUSSCGKSA-N 1 3 269.392 3.137 20 0 CGADHO Cc1c([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cnn1C(C)(C)C ZINC000423283772 236022657 /nfs/dbraw/zinc/02/26/57/236022657.db2.gz WFOUIABBMLTEJA-DUVNUKRYSA-N 1 3 292.471 3.115 20 0 CGADHO C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc2cc(Cl)ccc2o1 ZINC000423286113 236023884 /nfs/dbraw/zinc/02/38/84/236023884.db2.gz ZQAXYNWYYLMNBB-ZANVPECISA-N 1 3 278.783 3.474 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 ZINC000423359220 236049624 /nfs/dbraw/zinc/04/96/24/236049624.db2.gz CYLKXHACBWLJQZ-KSZLIROESA-N 1 3 272.436 3.176 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@H]1C ZINC000423460829 236076175 /nfs/dbraw/zinc/07/61/75/236076175.db2.gz BMWSKSDEKAXEDP-CWAQJACASA-N 1 3 290.426 3.153 20 0 CGADHO c1c[nH]c([C@H](NCCC[C@@H]2CCC[NH2+]2)C2CCCCC2)n1 ZINC000423483015 236082572 /nfs/dbraw/zinc/08/25/72/236082572.db2.gz PNGQQOKANCETRY-JKSUJKDBSA-N 1 3 290.455 3.153 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCNC1CC1 ZINC000423553067 236098486 /nfs/dbraw/zinc/09/84/86/236098486.db2.gz KFEOMPNBQHMWGB-CJNGLKHVSA-N 1 3 258.409 3.275 20 0 CGADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccsc1 ZINC000294411929 199030060 /nfs/dbraw/zinc/03/00/60/199030060.db2.gz MXNFVOJAYHZDBB-AWEZNQCLSA-N 1 3 252.427 3.273 20 0 CGADHO C[C@@H](N)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423226129 296019878 /nfs/dbraw/zinc/01/98/78/296019878.db2.gz PNAYUFFXGDPMKG-QKEWWQLBSA-N 1 3 266.351 3.071 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000423401225 283584114 /nfs/dbraw/zinc/58/41/14/283584114.db2.gz VWXPHUINMFMXHA-VNHYZAJKSA-N 1 3 264.800 3.187 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180757847 189273434 /nfs/dbraw/zinc/27/34/34/189273434.db2.gz BWVGSZDCCRRUEP-HZPDHXFCSA-N 1 3 290.451 3.261 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180757847 189273435 /nfs/dbraw/zinc/27/34/35/189273435.db2.gz BWVGSZDCCRRUEP-HZPDHXFCSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@H](NC/C=C/C[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000181786940 189306740 /nfs/dbraw/zinc/30/67/40/189306740.db2.gz BJZTXHSDFGVCRW-HABDOHHLSA-N 1 3 296.418 3.034 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000183124943 189347302 /nfs/dbraw/zinc/34/73/02/189347302.db2.gz AKCJIEKWGFMIIR-JQHSSLGASA-N 1 3 270.420 3.039 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000449089245 239171952 /nfs/dbraw/zinc/17/19/52/239171952.db2.gz JLQZJOXKGSGHOO-DQYPLSBCSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000449089245 239171957 /nfs/dbraw/zinc/17/19/57/239171957.db2.gz JLQZJOXKGSGHOO-DQYPLSBCSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](C[C@H](C)O)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449236265 239262119 /nfs/dbraw/zinc/26/21/19/239262119.db2.gz XIYLSDWBQPQSQB-CABCVRRESA-N 1 3 298.515 3.415 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000449233015 239258428 /nfs/dbraw/zinc/25/84/28/239258428.db2.gz KBNZYKOXWIRDSY-BFYDXBDKSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449233015 239258433 /nfs/dbraw/zinc/25/84/33/239258433.db2.gz KBNZYKOXWIRDSY-BFYDXBDKSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](Cc1ccoc1)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000449233015 239258438 /nfs/dbraw/zinc/25/84/38/239258438.db2.gz KBNZYKOXWIRDSY-BFYDXBDKSA-N 1 3 290.451 3.453 20 0 CGADHO C[C@H](CCCO)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449408106 239392302 /nfs/dbraw/zinc/39/23/02/239392302.db2.gz MDAFCBHVKXFVOE-JZXOWHBKSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@](C[NH3+])(NCCSc1ccc(Cl)cc1)C1CC1 ZINC000430559596 291332786 /nfs/dbraw/zinc/33/27/86/291332786.db2.gz DRWQWGDZIPYDLS-CQSZACIVSA-N 1 3 284.856 3.149 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000275609609 193085213 /nfs/dbraw/zinc/08/52/13/193085213.db2.gz QVEVUBPEGVKMMP-OALUTQOASA-N 1 3 284.447 3.249 20 0 CGADHO C[C@@H](NC1CCC([NH+]2CCC(C)CC2)CC1)c1cn[nH]c1 ZINC000453165534 240745181 /nfs/dbraw/zinc/74/51/81/240745181.db2.gz GABMFONSKKJPAK-ODIFPOPNSA-N 1 3 290.455 3.103 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275869327 193151373 /nfs/dbraw/zinc/15/13/73/193151373.db2.gz NYSJWAXHKCQVMQ-MOPGFXCFSA-N 1 3 284.447 3.348 20 0 CGADHO C(=C\c1ccccc1)\C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459415394 242101473 /nfs/dbraw/zinc/10/14/73/242101473.db2.gz RYQZYOSIQTZKOQ-DAXSKMNVSA-N 1 3 293.414 3.353 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000483306939 243276154 /nfs/dbraw/zinc/27/61/54/243276154.db2.gz VEZHBSBEEJNWEK-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccsc1 ZINC000247138700 296122235 /nfs/dbraw/zinc/12/22/35/296122235.db2.gz VZRYPVDUXWITHF-RBSFLKMASA-N 1 3 296.480 3.288 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256596 243330499 /nfs/dbraw/zinc/33/04/99/243330499.db2.gz YCEBHVOJICQVHA-HNNXBMFYSA-N 1 3 280.843 3.156 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256596 243330504 /nfs/dbraw/zinc/33/05/04/243330504.db2.gz YCEBHVOJICQVHA-HNNXBMFYSA-N 1 3 280.843 3.156 20 0 CGADHO CC[NH+](CC)CCCNc1ccnc2cc(OC)ccc21 ZINC000027555854 368873081 /nfs/dbraw/zinc/87/30/81/368873081.db2.gz LEVIIHDOQPGTTR-UHFFFAOYSA-N 1 3 287.407 3.387 20 0 CGADHO Cc1cc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000037649079 369095887 /nfs/dbraw/zinc/09/58/87/369095887.db2.gz PABFNJJTWTUKEK-TZMCWYRMSA-N 1 3 278.465 3.500 20 0 CGADHO Cc1cc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649079 369095891 /nfs/dbraw/zinc/09/58/91/369095891.db2.gz PABFNJJTWTUKEK-TZMCWYRMSA-N 1 3 278.465 3.500 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCSc1ccccc1 ZINC000037904186 369124168 /nfs/dbraw/zinc/12/41/68/369124168.db2.gz ZQDVNFBKQYNNDW-IJEWVQPXSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCSc1ccccc1 ZINC000037904186 369124171 /nfs/dbraw/zinc/12/41/71/369124171.db2.gz ZQDVNFBKQYNNDW-IJEWVQPXSA-N 1 3 278.465 3.097 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)s1 ZINC000041631565 369192891 /nfs/dbraw/zinc/19/28/91/369192891.db2.gz IFLKQLHFUGUIJI-QWHCGFSZSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CC)C2)s1 ZINC000041631565 369192895 /nfs/dbraw/zinc/19/28/95/369192895.db2.gz IFLKQLHFUGUIJI-QWHCGFSZSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@H+](CC)C2)s1 ZINC000041631565 369192900 /nfs/dbraw/zinc/19/29/00/369192900.db2.gz IFLKQLHFUGUIJI-QWHCGFSZSA-N 1 3 266.454 3.303 20 0 CGADHO COc1cccc(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047968356 369333140 /nfs/dbraw/zinc/33/31/40/369333140.db2.gz HDGSUZXXRCLJFZ-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO C[C@H](c1ccccc1F)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000062014534 369613399 /nfs/dbraw/zinc/61/33/99/369613399.db2.gz YZUFKTITFLLNSR-KGLIPLIRSA-N 1 3 264.388 3.208 20 0 CGADHO C[NH2+]CCC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000070189029 369787540 /nfs/dbraw/zinc/78/75/40/369787540.db2.gz IXNJIGAYZQHYQW-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1nccs1 ZINC000086507840 370020558 /nfs/dbraw/zinc/02/05/58/370020558.db2.gz CXDAGLFDTUUQOD-CHWSQXEVSA-N 1 3 269.458 3.304 20 0 CGADHO C[NH+](C)C[C@H]1CCN(CCCSCc2ccccc2)C1 ZINC000132031217 371147741 /nfs/dbraw/zinc/14/77/41/371147741.db2.gz WUCRACDXWDCSHO-QGZVFWFLSA-N 1 3 292.492 3.193 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132100784 371151912 /nfs/dbraw/zinc/15/19/12/371151912.db2.gz NNCLJLSSXSOUOA-WBVHZDCISA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132100784 371151916 /nfs/dbraw/zinc/15/19/16/371151916.db2.gz NNCLJLSSXSOUOA-WBVHZDCISA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccccn1 ZINC000132107889 371152005 /nfs/dbraw/zinc/15/20/05/371152005.db2.gz QKOPNLZQPKBIGG-INIZCTEOSA-N 1 3 277.456 3.346 20 0 CGADHO COc1ccc2cc(CN3CC[C@H]([C@H](C)[NH3+])C3)ccc2c1 ZINC000132216176 371159415 /nfs/dbraw/zinc/15/94/15/371159415.db2.gz LCGHGIMHCCOKCO-GUYCJALGSA-N 1 3 284.403 3.018 20 0 CGADHO c1cncc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000133450985 371251690 /nfs/dbraw/zinc/25/16/90/371251690.db2.gz ISLFODRKFVFEDZ-UHFFFAOYSA-N 1 3 287.451 3.011 20 0 CGADHO c1cncc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000133450985 371251696 /nfs/dbraw/zinc/25/16/96/371251696.db2.gz ISLFODRKFVFEDZ-UHFFFAOYSA-N 1 3 287.451 3.011 20 0 CGADHO CC[NH+](CC)CCCN[C@H](C)Cc1ccccc1F ZINC000134017098 371295526 /nfs/dbraw/zinc/29/55/26/371295526.db2.gz FXZIEOWXMHJQID-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000134017098 371295538 /nfs/dbraw/zinc/29/55/38/371295538.db2.gz FXZIEOWXMHJQID-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000152512803 371700221 /nfs/dbraw/zinc/70/02/21/371700221.db2.gz UGMOYNWLLNRMDR-QAPCUYQASA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000152512803 371700225 /nfs/dbraw/zinc/70/02/25/371700225.db2.gz UGMOYNWLLNRMDR-QAPCUYQASA-N 1 3 290.451 3.151 20 0 CGADHO CCCOCc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422693246 371756860 /nfs/dbraw/zinc/75/68/60/371756860.db2.gz LOOUJORRJJNWHX-ROUUACIJSA-N 1 3 290.451 3.363 20 0 CGADHO CCCOCc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422693247 371757149 /nfs/dbraw/zinc/75/71/49/371757149.db2.gz LOOUJORRJJNWHX-ZWKOTPCHSA-N 1 3 290.451 3.363 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703711 371760013 /nfs/dbraw/zinc/76/00/13/371760013.db2.gz NWOSZXNCMIKQRN-AEFFLSMTSA-N 1 3 274.452 3.377 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000422762728 371792193 /nfs/dbraw/zinc/79/21/93/371792193.db2.gz OCFRPQHXMBNCEW-QZTJIDSGSA-N 1 3 274.452 3.460 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cc2c1C ZINC000422722270 371768236 /nfs/dbraw/zinc/76/82/36/371768236.db2.gz PAJFBGVABNEHIP-ZBFHGGJFSA-N 1 3 271.408 3.002 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755046 371787893 /nfs/dbraw/zinc/78/78/93/371787893.db2.gz FGZFPFJPFZGSKX-UONOGXRCSA-N 1 3 284.350 3.038 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)COC1CCCC1 ZINC000422823491 371831456 /nfs/dbraw/zinc/83/14/56/371831456.db2.gz DKGPAXVPXITMDH-KURKYZTESA-N 1 3 294.483 3.236 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000422824505 371831598 /nfs/dbraw/zinc/83/15/98/371831598.db2.gz NWPMQRHOAIGJQZ-KGLIPLIRSA-N 1 3 266.816 3.087 20 0 CGADHO CCO[C@H](CC[NH2+][C@H]1CCCC[C@@H]1CN)C1CCCC1 ZINC000422830191 371832945 /nfs/dbraw/zinc/83/29/45/371832945.db2.gz VJOPITGQNRVQOI-IXDOHACOSA-N 1 3 282.472 3.079 20 0 CGADHO CCc1ccc([C@H](N[C@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422774909 371798834 /nfs/dbraw/zinc/79/88/34/371798834.db2.gz YXHGQDRRWADTCJ-CXAGYDPISA-N 1 3 260.425 3.144 20 0 CGADHO CCc1ccc([C@H]([NH2+][C@H](C)C2CNC2)C(C)C)cc1 ZINC000422774909 371798840 /nfs/dbraw/zinc/79/88/40/371798840.db2.gz YXHGQDRRWADTCJ-CXAGYDPISA-N 1 3 260.425 3.144 20 0 CGADHO COC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422838726 371834120 /nfs/dbraw/zinc/83/41/20/371834120.db2.gz PBIAHRIDYTUSPH-YXYCDRMUSA-N 1 3 294.483 3.092 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784693 371806607 /nfs/dbraw/zinc/80/66/07/371806607.db2.gz QCXAYRJJUZPIMG-ZIAGYGMSSA-N 1 3 286.341 3.455 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCC[C@H]1C[NH3+] ZINC000422786904 371808136 /nfs/dbraw/zinc/80/81/36/371808136.db2.gz TWYALMOZFDTZGV-WBAXXEDZSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1CN ZINC000422786904 371808144 /nfs/dbraw/zinc/80/81/44/371808144.db2.gz TWYALMOZFDTZGV-WBAXXEDZSA-N 1 3 288.435 3.180 20 0 CGADHO Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422793786 371814162 /nfs/dbraw/zinc/81/41/62/371814162.db2.gz YHJGPVNGASGHOE-OAHLLOKOSA-N 1 3 297.446 3.359 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccccc1 ZINC000422794076 371814183 /nfs/dbraw/zinc/81/41/83/371814183.db2.gz GFUXWEWQHRCWLV-RDJZCZTQSA-N 1 3 274.452 3.461 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799271 371815799 /nfs/dbraw/zinc/81/57/99/371815799.db2.gz VZWGVEQVMSTMND-UONOGXRCSA-N 1 3 286.341 3.455 20 0 CGADHO Cc1ccc(-c2nc(CNC3CCC(C[NH3+])CC3)co2)cc1 ZINC000422808415 371823108 /nfs/dbraw/zinc/82/31/08/371823108.db2.gz LCVVKVJLDMJRRX-UHFFFAOYSA-N 1 3 299.418 3.257 20 0 CGADHO CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)Oc1ccccc1F ZINC000422814818 371826382 /nfs/dbraw/zinc/82/63/82/371826382.db2.gz AGNLVZQJGMQULQ-SQWLQELKSA-N 1 3 294.414 3.103 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865454 371844507 /nfs/dbraw/zinc/84/45/07/371844507.db2.gz YECBREGGFFJWLO-ROUUACIJSA-N 1 3 282.387 3.448 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)C(c1ccccc1)c1ccccc1 ZINC000422945363 371885352 /nfs/dbraw/zinc/88/53/52/371885352.db2.gz UGPREKZXYNPIQA-JKSUJKDBSA-N 1 3 294.442 3.405 20 0 CGADHO C[C@@H](N[C@@H](C)C1C[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000422945363 371885354 /nfs/dbraw/zinc/88/53/54/371885354.db2.gz UGPREKZXYNPIQA-JKSUJKDBSA-N 1 3 294.442 3.405 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@H](C)CCCC[NH3+])cs1 ZINC000422914930 371865964 /nfs/dbraw/zinc/86/59/64/371865964.db2.gz WSKZXFLHZDSBLY-NEPJUHHUSA-N 1 3 269.458 3.435 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000422916243 371867171 /nfs/dbraw/zinc/86/71/71/371867171.db2.gz CZWLHRJBHDVODE-KNTRFNDTSA-N 1 3 294.442 3.166 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(COc2ccccc2)cc1 ZINC000422925768 371873460 /nfs/dbraw/zinc/87/34/60/371873460.db2.gz BRJINIQDNNYKIU-HZPDHXFCSA-N 1 3 298.430 3.481 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422840509 371836863 /nfs/dbraw/zinc/83/68/63/371836863.db2.gz TVVBXIPJRDTARH-PBFPGSCMSA-N 1 3 276.399 3.181 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423053030 371936018 /nfs/dbraw/zinc/93/60/18/371936018.db2.gz RVDYSJUUSMFZTA-RHSMWYFYSA-N 1 3 286.419 3.391 20 0 CGADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422950576 371889025 /nfs/dbraw/zinc/88/90/25/371889025.db2.gz YKAJSUQDYGKUCM-WMLDXEAASA-N 1 3 290.451 3.080 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000422959390 371893073 /nfs/dbraw/zinc/89/30/73/371893073.db2.gz RWGYDNYYBVIPSY-YRGRVCCFSA-N 1 3 261.413 3.078 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423064254 371942632 /nfs/dbraw/zinc/94/26/32/371942632.db2.gz YPSVFYXBFOVYHD-KGLIPLIRSA-N 1 3 298.352 3.206 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000422959389 371893729 /nfs/dbraw/zinc/89/37/29/371893729.db2.gz RWGYDNYYBVIPSY-OBJOEFQTSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccccc1C(C)(C)C ZINC000422960472 371893844 /nfs/dbraw/zinc/89/38/44/371893844.db2.gz WNFITKPSHUYXQZ-KBPBESRZSA-N 1 3 278.440 3.078 20 0 CGADHO CC(C)COC[C@H](NC1CCC(C[NH3+])CC1)c1ccco1 ZINC000422970068 371897187 /nfs/dbraw/zinc/89/71/87/371897187.db2.gz FFFONIYLNHUYFW-GPANFISMSA-N 1 3 294.439 3.100 20 0 CGADHO CC(C)CSCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423012736 371913866 /nfs/dbraw/zinc/91/38/66/371913866.db2.gz LFRGROAUARBWES-OAGGEKHMSA-N 1 3 284.513 3.276 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC23CCC(CC2)C3)c2ccccc21 ZINC000423012544 371914806 /nfs/dbraw/zinc/91/48/06/371914806.db2.gz KWAGRBPXNQLCBP-WGMOCZARSA-N 1 3 256.393 3.301 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000290163849 371918193 /nfs/dbraw/zinc/91/81/93/371918193.db2.gz DKKFKXVOSDNKRQ-SUMWQHHRSA-N 1 3 256.393 3.086 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423020305 371918425 /nfs/dbraw/zinc/91/84/25/371918425.db2.gz ZVKZPEDXRMYORQ-ZNMIVQPWSA-N 1 3 278.465 3.109 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423033746 371926601 /nfs/dbraw/zinc/92/66/01/371926601.db2.gz ZWDXWNOWJOEBDF-VMQANIIQSA-N 1 3 270.420 3.183 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044550 371929795 /nfs/dbraw/zinc/92/97/95/371929795.db2.gz BHDSTQKXRSSEBU-ZIAGYGMSSA-N 1 3 268.351 3.374 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423092006 371959045 /nfs/dbraw/zinc/95/90/45/371959045.db2.gz ADAFHYARNZDCIR-AYMQEEERSA-N 1 3 276.399 3.179 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423098885 371963125 /nfs/dbraw/zinc/96/31/25/371963125.db2.gz SUGJXKIYWXUEGR-OHFALNGGSA-N 1 3 276.399 3.179 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423099716 371963974 /nfs/dbraw/zinc/96/39/74/371963974.db2.gz AXNNUFCIXXWWBU-UWWQBHOKSA-N 1 3 290.451 3.294 20 0 CGADHO CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000423099716 371963981 /nfs/dbraw/zinc/96/39/81/371963981.db2.gz AXNNUFCIXXWWBU-UWWQBHOKSA-N 1 3 290.451 3.294 20 0 CGADHO CSc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000423103095 371965745 /nfs/dbraw/zinc/96/57/45/371965745.db2.gz XNPCTLAINJASLK-GOEBONIOSA-N 1 3 278.465 3.058 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173020 372001815 /nfs/dbraw/zinc/00/18/15/372001815.db2.gz WQLODFMZIQXHMM-IDTSFGKNSA-N 1 3 296.817 3.442 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173020 372001816 /nfs/dbraw/zinc/00/18/16/372001816.db2.gz WQLODFMZIQXHMM-IDTSFGKNSA-N 1 3 296.817 3.442 20 0 CGADHO Cc1cc(CCN[C@@H]2CCCCC[C@H]2[NH3+])ccc1Cl ZINC000423125625 371979050 /nfs/dbraw/zinc/97/90/50/371979050.db2.gz ANYKXPZCOJEIRA-HZPDHXFCSA-N 1 3 280.843 3.441 20 0 CGADHO C[C@H](NC[C@@H]1CCCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423127209 371980540 /nfs/dbraw/zinc/98/05/40/371980540.db2.gz JSNXGUQYXRCQRI-BFHYXJOUSA-N 1 3 274.399 3.322 20 0 CGADHO CC(C)(C)C1CC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423128401 371980892 /nfs/dbraw/zinc/98/08/92/371980892.db2.gz CVQQLGGFWKPWFV-UIEKQHFFSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423128179 371981125 /nfs/dbraw/zinc/98/11/25/371981125.db2.gz KNBYQWYSJNTVAY-JLSDUUJJSA-N 1 3 272.436 3.158 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]CC[C@@H]1C)CCC2 ZINC000423134140 371984507 /nfs/dbraw/zinc/98/45/07/371984507.db2.gz WTFSYHOGKFIHCK-QGTPRVQTSA-N 1 3 272.436 3.350 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423133437 371984752 /nfs/dbraw/zinc/98/47/52/371984752.db2.gz KMGRHAYBUSWEOE-LTFXXXRZSA-N 1 3 284.447 3.300 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCCC[C@@H]3CN)CC2)c(C)c1 ZINC000423143483 371987964 /nfs/dbraw/zinc/98/79/64/371987964.db2.gz DFNZLJKPPNCROF-AEFFLSMTSA-N 1 3 286.463 3.442 20 0 CGADHO Cc1cc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)ccc1Cl ZINC000423144042 371988764 /nfs/dbraw/zinc/98/87/64/371988764.db2.gz YEEQWUXNOCVITR-BLLLJJGKSA-N 1 3 280.843 3.169 20 0 CGADHO Cc1cc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423144042 371988769 /nfs/dbraw/zinc/98/87/69/371988769.db2.gz YEEQWUXNOCVITR-BLLLJJGKSA-N 1 3 280.843 3.169 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423144459 371991070 /nfs/dbraw/zinc/99/10/70/371991070.db2.gz GYUCGYDRFUCNDD-JQAFLVLXSA-N 1 3 280.362 3.059 20 0 CGADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCCCC[C@H]3[NH3+])C2)c1 ZINC000423149981 371992068 /nfs/dbraw/zinc/99/20/68/371992068.db2.gz BIGIBUHMJRAOPQ-JOCBIADPSA-N 1 3 288.435 3.191 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423164806 371997990 /nfs/dbraw/zinc/99/79/90/371997990.db2.gz AIHDUAQVKJDAOF-SJXGUFTOSA-N 1 3 260.425 3.142 20 0 CGADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423168435 371999425 /nfs/dbraw/zinc/99/94/25/371999425.db2.gz HKGOQBWXBABIRP-WTNVTLLGSA-N 1 3 288.410 3.192 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000423168483 372000143 /nfs/dbraw/zinc/00/01/43/372000143.db2.gz YBFUJKJTQSXHEV-CHWSQXEVSA-N 1 3 296.405 3.345 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000423078372 371950598 /nfs/dbraw/zinc/95/05/98/371950598.db2.gz VVVUHKIXGIXQFW-VWYCJHECSA-N 1 3 285.229 3.226 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423085750 371954607 /nfs/dbraw/zinc/95/46/07/371954607.db2.gz LHOXZWCATBASIP-OTRWWLKZSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@@H](NC1CC[NH2+]CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423188267 372015601 /nfs/dbraw/zinc/01/56/01/372015601.db2.gz PXZKFVGUJUGURQ-VXGBXAGGSA-N 1 3 289.448 3.130 20 0 CGADHO C[C@@H]([NH2+]C1CCNCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000423188267 372015606 /nfs/dbraw/zinc/01/56/06/372015606.db2.gz PXZKFVGUJUGURQ-VXGBXAGGSA-N 1 3 289.448 3.130 20 0 CGADHO CC[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccsc1 ZINC000423187316 372015640 /nfs/dbraw/zinc/01/56/40/372015640.db2.gz MJFLRIYGTNSDAW-MRXNPFEDSA-N 1 3 289.448 3.364 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccccc32)CCN1 ZINC000423398174 372059978 /nfs/dbraw/zinc/05/99/78/372059978.db2.gz VARDHUXPQRFOPX-UNEWFSDZSA-N 1 3 258.409 3.184 20 0 CGADHO CCCC[C@@H](COC)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000157364118 372018334 /nfs/dbraw/zinc/01/83/34/372018334.db2.gz RSIWFISPPBKQMZ-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CCCC[C@@H](COC)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000157364118 372018337 /nfs/dbraw/zinc/01/83/37/372018337.db2.gz RSIWFISPPBKQMZ-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CC(C)C[C@H](NCCC[NH3+])c1cccc(Br)c1 ZINC000423196790 372021656 /nfs/dbraw/zinc/02/16/56/372021656.db2.gz WHPQJVBYYNLGDL-AWEZNQCLSA-N 1 3 299.256 3.475 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCNC1)c1cccc(Br)c1 ZINC000423197248 372022177 /nfs/dbraw/zinc/02/21/77/372022177.db2.gz YPPXCCJPOASJDN-KGLIPLIRSA-N 1 3 297.240 3.242 20 0 CGADHO CNCCC[NH2+][C@@H](C)CCCOc1ccc(Cl)c(C)c1 ZINC000423205990 372028408 /nfs/dbraw/zinc/02/84/08/372028408.db2.gz WPWYPMQTMNBHON-AWEZNQCLSA-N 1 3 298.858 3.395 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423209383 372032242 /nfs/dbraw/zinc/03/22/42/372032242.db2.gz FDDLQMKOISTJKZ-DHSIGJKJSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423212472 372034019 /nfs/dbraw/zinc/03/40/19/372034019.db2.gz LZIXBMZANQLORV-ZDEQEGDKSA-N 1 3 298.883 3.483 20 0 CGADHO C[C@H](CN)[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423335674 372053404 /nfs/dbraw/zinc/05/34/04/372053404.db2.gz UCUCFHYWNFEXKT-ABAIWWIYSA-N 1 3 260.381 3.457 20 0 CGADHO Cc1cccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000158122586 372053654 /nfs/dbraw/zinc/05/36/54/372053654.db2.gz VDJBYACLCINHFN-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000158122586 372053658 /nfs/dbraw/zinc/05/36/58/372053658.db2.gz VDJBYACLCINHFN-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO NC1(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCC1 ZINC000423339016 372054129 /nfs/dbraw/zinc/05/41/29/372054129.db2.gz WGISDGUPAFHGBW-GFCCVEGCSA-N 1 3 285.218 3.452 20 0 CGADHO C[C@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408123 372062635 /nfs/dbraw/zinc/06/26/35/372062635.db2.gz WZVYSNROMJMLQY-XLQHLMKVSA-N 1 3 268.404 3.474 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000423466455 372067135 /nfs/dbraw/zinc/06/71/35/372067135.db2.gz XFTYMMBLRJXODK-NXEZZACHSA-N 1 3 290.329 3.205 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424266872 372080167 /nfs/dbraw/zinc/08/01/67/372080167.db2.gz JPAWYFCZGROEPR-KNCDZKKRSA-N 1 3 296.499 3.292 20 0 CGADHO CCC[NH+]1CCC(NCCc2ccc(Cl)s2)CC1 ZINC000160364333 372241245 /nfs/dbraw/zinc/24/12/45/372241245.db2.gz SETOEDVVGZHOMR-UHFFFAOYSA-N 1 3 286.872 3.408 20 0 CGADHO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc2n1 ZINC000292932548 372253084 /nfs/dbraw/zinc/25/30/84/372253084.db2.gz AOSQCTUSSCCUHG-MRXNPFEDSA-N 1 3 295.430 3.465 20 0 CGADHO C[C@H]1CN(CCCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430939117 372408843 /nfs/dbraw/zinc/40/88/43/372408843.db2.gz FEJKRIODHGYDEK-YJBOKZPZSA-N 1 3 298.430 3.278 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCS2 ZINC000293364273 372365905 /nfs/dbraw/zinc/36/59/05/372365905.db2.gz HOVJTPVIAFHXDF-DOMZBBRYSA-N 1 3 294.464 3.019 20 0 CGADHO CC(C)CC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000162863786 372428443 /nfs/dbraw/zinc/42/84/43/372428443.db2.gz QDALLSBLSOIZEI-GVDBMIGSSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163420010 372468801 /nfs/dbraw/zinc/46/88/01/372468801.db2.gz CEYIQWQBSDKRSI-RISCZKNCSA-N 1 3 268.351 3.041 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163459297 372471946 /nfs/dbraw/zinc/47/19/46/372471946.db2.gz PLJLVXJMNZKTNV-YPMHNXCESA-N 1 3 286.341 3.122 20 0 CGADHO COCc1ccccc1/C=C(\C)CNC[C@@H](C)C[NH+](C)C ZINC000431652481 372492965 /nfs/dbraw/zinc/49/29/65/372492965.db2.gz VEWIBQRUYKOJFA-AAGJOFLKSA-N 1 3 290.451 3.024 20 0 CGADHO COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](C)CN(C)C ZINC000431652481 372492975 /nfs/dbraw/zinc/49/29/75/372492975.db2.gz VEWIBQRUYKOJFA-AAGJOFLKSA-N 1 3 290.451 3.024 20 0 CGADHO CC[C@H](NCCCCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000164611842 372525724 /nfs/dbraw/zinc/52/57/24/372525724.db2.gz HQWXWSVQPDSAAG-KRWDZBQOSA-N 1 3 292.471 3.117 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(F)c1 ZINC000166514652 372577277 /nfs/dbraw/zinc/57/72/77/372577277.db2.gz VSBSLRVLCNRHGN-CJNGLKHVSA-N 1 3 264.388 3.208 20 0 CGADHO CCN(C/C=C/c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435378908 372753381 /nfs/dbraw/zinc/75/33/81/372753381.db2.gz ACPYKQMQSGPJGU-LAQIPUCWSA-N 1 3 276.399 3.303 20 0 CGADHO CCN(Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435392814 372758685 /nfs/dbraw/zinc/75/86/85/372758685.db2.gz XXMCWVXBTGMVLY-HNNXBMFYSA-N 1 3 266.816 3.304 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000344624550 217253211 /nfs/dbraw/zinc/25/32/11/217253211.db2.gz JDZKOKNIBUVGNW-BEFAXECRSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624550 217253212 /nfs/dbraw/zinc/25/32/12/217253212.db2.gz JDZKOKNIBUVGNW-BEFAXECRSA-N 1 3 295.430 3.321 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353449708 220088176 /nfs/dbraw/zinc/08/81/76/220088176.db2.gz RONLYFAZRAREQJ-OIISXLGYSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353449708 220088180 /nfs/dbraw/zinc/08/81/80/220088180.db2.gz RONLYFAZRAREQJ-OIISXLGYSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353449708 220088182 /nfs/dbraw/zinc/08/81/82/220088182.db2.gz RONLYFAZRAREQJ-OIISXLGYSA-N 1 3 276.399 3.097 20 0 CGADHO C[NH+](C)C1CCC(NCc2cccc(Cl)c2F)CC1 ZINC000353519345 220131636 /nfs/dbraw/zinc/13/16/36/220131636.db2.gz MXUIKUYFWGEZEL-UHFFFAOYSA-N 1 3 284.806 3.442 20 0 CGADHO C[NH+](C)C1CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000353522084 220134237 /nfs/dbraw/zinc/13/42/37/220134237.db2.gz UBPPYQMMOLTFAF-UHFFFAOYSA-N 1 3 299.418 3.304 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000442917795 373127016 /nfs/dbraw/zinc/12/70/16/373127016.db2.gz BJIBJFBQUKFYIP-ZDUSSCGKSA-N 1 3 293.480 3.362 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431915 373131039 /nfs/dbraw/zinc/13/10/39/373131039.db2.gz NGFNTXUVHRRWBG-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431915 373131046 /nfs/dbraw/zinc/13/10/46/373131046.db2.gz NGFNTXUVHRRWBG-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO CCC[N@H+]1CC[C@H](CNC[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296431915 373131053 /nfs/dbraw/zinc/13/10/53/373131053.db2.gz NGFNTXUVHRRWBG-ZIAGYGMSSA-N 1 3 296.405 3.390 20 0 CGADHO CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057666 373145539 /nfs/dbraw/zinc/14/55/39/373145539.db2.gz HRFNLPXYQSZLLR-LRDDRELGSA-N 1 3 282.378 3.477 20 0 CGADHO CCc1ccccc1CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000444649055 373219248 /nfs/dbraw/zinc/21/92/48/373219248.db2.gz KVZIKEOSJNIRNU-MRXNPFEDSA-N 1 3 274.452 3.065 20 0 CGADHO CCc1ccccc1CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444649055 373219251 /nfs/dbraw/zinc/21/92/51/373219251.db2.gz KVZIKEOSJNIRNU-MRXNPFEDSA-N 1 3 274.452 3.065 20 0 CGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccsc1 ZINC000296644231 373206768 /nfs/dbraw/zinc/20/67/68/373206768.db2.gz CZPMMMJYJAHFHO-CQSZACIVSA-N 1 3 250.411 3.051 20 0 CGADHO FC(F)(F)C[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000444698358 373243152 /nfs/dbraw/zinc/24/31/52/373243152.db2.gz CDAYNYMGVYZULT-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO FC(F)(F)C[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000444698358 373243156 /nfs/dbraw/zinc/24/31/56/373243156.db2.gz CDAYNYMGVYZULT-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3cccnc32)[C@H](C)C1 ZINC000174770171 373362890 /nfs/dbraw/zinc/36/28/90/373362890.db2.gz LNWMEUINKOFWQO-CRAIPNDOSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3cccnc32)[C@H](C)C1 ZINC000174770171 373362892 /nfs/dbraw/zinc/36/28/92/373362892.db2.gz LNWMEUINKOFWQO-CRAIPNDOSA-N 1 3 297.446 3.397 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H](C)c2ccccc2)C1 ZINC000447819441 373497987 /nfs/dbraw/zinc/49/79/87/373497987.db2.gz AEFFNZDXDHTRBV-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448077448 373547488 /nfs/dbraw/zinc/54/74/88/373547488.db2.gz MTLZERVSUOQINN-GOSISDBHSA-N 1 3 298.474 3.473 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCC[C@H]1C ZINC000449251727 373674590 /nfs/dbraw/zinc/67/45/90/373674590.db2.gz OUIQAMCBQIQQIA-FMKPAKJESA-N 1 3 250.430 3.053 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)C)c1cccc(OCCN(C)C)c1 ZINC000178677799 373804150 /nfs/dbraw/zinc/80/41/50/373804150.db2.gz NOERYWKJYDRVJD-CQSZACIVSA-N 1 3 278.440 3.324 20 0 CGADHO Cc1ccc2nccc(NCC(C)(C)[NH+](C)C)c2c1 ZINC000302530205 373889395 /nfs/dbraw/zinc/88/93/95/373889395.db2.gz FBIUNEQTLKSXCW-UHFFFAOYSA-N 1 3 257.381 3.295 20 0 CGADHO Cc1ccc2nccc(N(C)CC[N@H+](C)C3CC3)c2c1 ZINC000302266018 373846928 /nfs/dbraw/zinc/84/69/28/373846928.db2.gz QUENSPAIVJTJAI-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1ccc2nccc(N(C)CC[N@@H+](C)C3CC3)c2c1 ZINC000302266018 373846936 /nfs/dbraw/zinc/84/69/36/373846936.db2.gz QUENSPAIVJTJAI-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000179366741 373863158 /nfs/dbraw/zinc/86/31/58/373863158.db2.gz XWQIAHPNXNJWAZ-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cnccc1C ZINC000289514026 197384757 /nfs/dbraw/zinc/38/47/57/197384757.db2.gz UXTJXLCKNVYAIU-UHFFFAOYSA-N 1 3 297.446 3.474 20 0 CGADHO Clc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC000311993345 374266395 /nfs/dbraw/zinc/26/63/95/374266395.db2.gz FVWWOCNAEPYMOG-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO [NH3+]CCCOC1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000316458614 374334785 /nfs/dbraw/zinc/33/47/85/374334785.db2.gz PEHXAMNRMMCNTH-UHFFFAOYSA-N 1 3 298.430 3.170 20 0 CGADHO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000090856525 541964902 /nfs/dbraw/zinc/96/49/02/541964902.db2.gz BOJLPJCKQMUYDB-HUUCEWRRSA-N 1 3 290.451 3.466 20 0 CGADHO F[C@H]1CC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000334329230 374669660 /nfs/dbraw/zinc/66/96/60/374669660.db2.gz NRCMSOSSEVNBJI-ZFWWWQNUSA-N 1 3 268.420 3.264 20 0 CGADHO F[C@H]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000334329230 374669670 /nfs/dbraw/zinc/66/96/70/374669670.db2.gz NRCMSOSSEVNBJI-ZFWWWQNUSA-N 1 3 268.420 3.264 20 0 CGADHO C[C@H]1C[C@H](NCc2ccccc2C2CC2)CC[N@@H+]1C ZINC000094357976 541986572 /nfs/dbraw/zinc/98/65/72/541986572.db2.gz VVCDKLQDTAZVEP-XJKSGUPXSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@H](NCc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357976 541986574 /nfs/dbraw/zinc/98/65/74/541986574.db2.gz VVCDKLQDTAZVEP-XJKSGUPXSA-N 1 3 258.409 3.136 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([NH2+]C3CCNCC3)C2)cc1 ZINC000335017828 375074324 /nfs/dbraw/zinc/07/43/24/375074324.db2.gz NWIVUSYSEPCUPV-DOTOQJQBSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000479482655 375152888 /nfs/dbraw/zinc/15/28/88/375152888.db2.gz KBNKXRYRKOPTLY-JCURWCKSSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000479482655 375152895 /nfs/dbraw/zinc/15/28/95/375152895.db2.gz KBNKXRYRKOPTLY-JCURWCKSSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@H]1CC1(C)C)N1CCCCC1 ZINC000487549174 375251709 /nfs/dbraw/zinc/25/17/09/375251709.db2.gz NBJJHVFDCPGRTQ-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000188681903 375254268 /nfs/dbraw/zinc/25/42/68/375254268.db2.gz LVKSXPDTQFUJHK-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000188681903 375254274 /nfs/dbraw/zinc/25/42/74/375254274.db2.gz LVKSXPDTQFUJHK-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)N1CCN(CCC[N@H+](C)C2CCCCCC2)CC1 ZINC000191391698 375622766 /nfs/dbraw/zinc/62/27/66/375622766.db2.gz CCXXUGXUQKIVPM-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCCCCC2)CC1 ZINC000191391698 375622770 /nfs/dbraw/zinc/62/27/70/375622770.db2.gz CCXXUGXUQKIVPM-UHFFFAOYSA-N 1 3 295.515 3.057 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CC1CCC1)CN1CCCCC1 ZINC000129199193 542054907 /nfs/dbraw/zinc/05/49/07/542054907.db2.gz VIGLRQUCYCSZJS-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccccn1 ZINC000192922752 375803790 /nfs/dbraw/zinc/80/37/90/375803790.db2.gz PTOFNQWAPOAKSM-WMZOPIPTSA-N 1 3 295.430 3.254 20 0 CGADHO CCCNc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000193363928 375869649 /nfs/dbraw/zinc/86/96/49/375869649.db2.gz MDAKJRQMGYKNMI-DAYGRLMNSA-N 1 3 289.467 3.327 20 0 CGADHO CCCNc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000193363928 375869652 /nfs/dbraw/zinc/86/96/52/375869652.db2.gz MDAKJRQMGYKNMI-DAYGRLMNSA-N 1 3 289.467 3.327 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(Cc2ccsc2)CC1 ZINC000534347221 375980018 /nfs/dbraw/zinc/98/00/18/375980018.db2.gz CTOVVPAPXIPIMS-UHFFFAOYSA-N 1 3 266.454 3.300 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccsc2)CC1 ZINC000534347221 375980025 /nfs/dbraw/zinc/98/00/25/375980025.db2.gz CTOVVPAPXIPIMS-UHFFFAOYSA-N 1 3 266.454 3.300 20 0 CGADHO C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCCC34CCCC4)CCN2C1 ZINC000336886063 376018358 /nfs/dbraw/zinc/01/83/58/376018358.db2.gz BJBQPURLGJEFNP-XHSDSOJGSA-N 1 3 262.441 3.316 20 0 CGADHO Cc1ccoc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536652451 376110101 /nfs/dbraw/zinc/11/01/01/376110101.db2.gz MTRSFECQSZXRHV-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1ccoc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536652451 376110109 /nfs/dbraw/zinc/11/01/09/376110109.db2.gz MTRSFECQSZXRHV-UHFFFAOYSA-N 1 3 264.413 3.140 20 0 CGADHO CC[C@H](C)C[N@H+](CC)Cc1ccc2c(c1)CNCC2 ZINC000211974098 376136408 /nfs/dbraw/zinc/13/64/08/376136408.db2.gz VCQDNIHNHJCVQC-AWEZNQCLSA-N 1 3 260.425 3.200 20 0 CGADHO CC[C@H](C)C[N@@H+](CC)Cc1ccc2c(c1)CNCC2 ZINC000211974098 376136413 /nfs/dbraw/zinc/13/64/13/376136413.db2.gz VCQDNIHNHJCVQC-AWEZNQCLSA-N 1 3 260.425 3.200 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946404 376137019 /nfs/dbraw/zinc/13/70/19/376137019.db2.gz GFNUYTHTQUAAFU-KDOFPFPSSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946404 376137026 /nfs/dbraw/zinc/13/70/26/376137026.db2.gz GFNUYTHTQUAAFU-KDOFPFPSSA-N 1 3 272.436 3.343 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000221281992 376213691 /nfs/dbraw/zinc/21/36/91/376213691.db2.gz FAHWDGOYZCXIOZ-GJZGRUSLSA-N 1 3 260.425 3.412 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cc2c(s1)CCCC2 ZINC000537966093 376214124 /nfs/dbraw/zinc/21/41/24/376214124.db2.gz UJXILNGSNNSPFD-DVOMOZLQSA-N 1 3 292.492 3.445 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cc2c(s1)CCCC2 ZINC000537966093 376214130 /nfs/dbraw/zinc/21/41/30/376214130.db2.gz UJXILNGSNNSPFD-DVOMOZLQSA-N 1 3 292.492 3.445 20 0 CGADHO C([C@@H]1CC[N@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC000538717543 376258887 /nfs/dbraw/zinc/25/88/87/376258887.db2.gz IOKSXEWRPULFDK-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C([C@@H]1CC[N@@H+](CC2CCCCCC2)C1)N1CCCC1 ZINC000538717543 376258892 /nfs/dbraw/zinc/25/88/92/376258892.db2.gz IOKSXEWRPULFDK-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO CCN(CC)CCC[N@H+](CC1CC1)CC1CCC1 ZINC000338367769 376352596 /nfs/dbraw/zinc/35/25/96/376352596.db2.gz VXFUGENPOYXUQJ-UHFFFAOYSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@@H+](CC1CC1)CC1CCC1 ZINC000338367769 376352602 /nfs/dbraw/zinc/35/26/02/376352602.db2.gz VXFUGENPOYXUQJ-UHFFFAOYSA-N 1 3 252.446 3.230 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]CCCN(C)C(C)C)C1 ZINC000226339323 376353408 /nfs/dbraw/zinc/35/34/08/376353408.db2.gz HFHKMMPPWWQGIH-GOEBONIOSA-N 1 3 252.446 3.299 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNc2ccnc3ccccc32)C1 ZINC000227666141 376403514 /nfs/dbraw/zinc/40/35/14/376403514.db2.gz XCBUXIWTIZDLSY-CHWSQXEVSA-N 1 3 255.365 3.164 20 0 CGADHO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000226438314 376360400 /nfs/dbraw/zinc/36/04/00/376360400.db2.gz VAOZEADIJPKRRH-NVXWUHKLSA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226438314 376360403 /nfs/dbraw/zinc/36/04/03/376360403.db2.gz VAOZEADIJPKRRH-NVXWUHKLSA-N 1 3 260.425 3.315 20 0 CGADHO CC(C)[C@H](c1ccccc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226438314 376360409 /nfs/dbraw/zinc/36/04/09/376360409.db2.gz VAOZEADIJPKRRH-NVXWUHKLSA-N 1 3 260.425 3.315 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226537696 376363330 /nfs/dbraw/zinc/36/33/30/376363330.db2.gz JHIBRCCIWZLGFL-GVXVVHGQSA-N 1 3 284.350 3.018 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226900890 376374975 /nfs/dbraw/zinc/37/49/75/376374975.db2.gz URWPDKCRHUZWIF-WMLDXEAASA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000226900890 376374980 /nfs/dbraw/zinc/37/49/80/376374980.db2.gz URWPDKCRHUZWIF-WMLDXEAASA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000226900890 376374982 /nfs/dbraw/zinc/37/49/82/376374982.db2.gz URWPDKCRHUZWIF-WMLDXEAASA-N 1 3 258.409 3.069 20 0 CGADHO c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@@H](CN3CCCC3)C1)C2 ZINC000541987394 376499687 /nfs/dbraw/zinc/49/96/87/376499687.db2.gz ZJMSZKSLLGBBKB-MSOLQXFVSA-N 1 3 298.474 3.209 20 0 CGADHO c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@@H](CN3CCCC3)C1)C2 ZINC000541987394 376499690 /nfs/dbraw/zinc/49/96/90/376499690.db2.gz ZJMSZKSLLGBBKB-MSOLQXFVSA-N 1 3 298.474 3.209 20 0 CGADHO C[C@]1(CN)CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000235735019 376650994 /nfs/dbraw/zinc/65/09/94/376650994.db2.gz OUQJTGJHFREJON-QGZVFWFLSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@]1(CN)CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000235735019 376651000 /nfs/dbraw/zinc/65/10/00/376651000.db2.gz OUQJTGJHFREJON-QGZVFWFLSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@H](CCN1C[C@@H]2CCC[C@@H]2C1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153690101 542113785 /nfs/dbraw/zinc/11/37/85/542113785.db2.gz PANVXRJRUAQZSL-SFFUCWETSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CCN1C[C@@H]2CCC[C@@H]2C1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153690101 542113788 /nfs/dbraw/zinc/11/37/88/542113788.db2.gz PANVXRJRUAQZSL-SFFUCWETSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153690101 542113790 /nfs/dbraw/zinc/11/37/90/542113790.db2.gz PANVXRJRUAQZSL-SFFUCWETSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153690101 542113791 /nfs/dbraw/zinc/11/37/91/542113791.db2.gz PANVXRJRUAQZSL-SFFUCWETSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000556864169 376892536 /nfs/dbraw/zinc/89/25/36/376892536.db2.gz BMPMXVDYPHREHD-WKULXVSPSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000556864169 376892543 /nfs/dbraw/zinc/89/25/43/376892543.db2.gz BMPMXVDYPHREHD-WKULXVSPSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000556864169 376892548 /nfs/dbraw/zinc/89/25/48/376892548.db2.gz BMPMXVDYPHREHD-WKULXVSPSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)C)C1 ZINC000246342480 377013266 /nfs/dbraw/zinc/01/32/66/377013266.db2.gz GZDSAYQCSZIGGG-CABCVRRESA-N 1 3 254.462 3.379 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246414649 377026202 /nfs/dbraw/zinc/02/62/02/377026202.db2.gz MQXXVMKZBXEECA-YOEHRIQHSA-N 1 3 286.419 3.295 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@@H](C)C1 ZINC000246414649 377026204 /nfs/dbraw/zinc/02/62/04/377026204.db2.gz MQXXVMKZBXEECA-YOEHRIQHSA-N 1 3 286.419 3.295 20 0 CGADHO CC1(C[NH+]2CCC(N3CCCCC3)CC2)CCC1 ZINC000340292177 376987175 /nfs/dbraw/zinc/98/71/75/376987175.db2.gz SFDPFBYKEZNXBX-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246247938 376997657 /nfs/dbraw/zinc/99/76/57/376997657.db2.gz SGFNWHFWGFJJGS-SWLSCSKDSA-N 1 3 266.816 3.160 20 0 CGADHO C[C@@H](N[C@H]1CCC[C@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000559919883 377108733 /nfs/dbraw/zinc/10/87/33/377108733.db2.gz QRLUGMSASHOZIE-XYPHTWIQSA-N 1 3 294.414 3.168 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340520698 377117015 /nfs/dbraw/zinc/11/70/15/377117015.db2.gz SAOXLVGIBXIZBX-GVDBMIGSSA-N 1 3 294.483 3.046 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000246926505 377121322 /nfs/dbraw/zinc/12/13/22/377121322.db2.gz YRKVXXXGLHJBAD-WOJBJXKFSA-N 1 3 298.474 3.497 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000247073160 377154165 /nfs/dbraw/zinc/15/41/65/377154165.db2.gz QHWGXRKHENLXEB-SOLBZPMBSA-N 1 3 274.452 3.430 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000247073160 377154172 /nfs/dbraw/zinc/15/41/72/377154172.db2.gz QHWGXRKHENLXEB-SOLBZPMBSA-N 1 3 274.452 3.430 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)C(C)(C)c2ccccc2)C1 ZINC000247073031 377155413 /nfs/dbraw/zinc/15/54/13/377155413.db2.gz OJEFQPPSRHQFSU-CVEARBPZSA-N 1 3 274.452 3.284 20 0 CGADHO C[N@@H+]1CC[C@H](NCCSc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000560521384 377163700 /nfs/dbraw/zinc/16/37/00/377163700.db2.gz KPGFFNAHAHQIMS-IKGGRYGDSA-N 1 3 290.476 3.241 20 0 CGADHO C[N@H+]1CC[C@H](NCCSc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000560521384 377163705 /nfs/dbraw/zinc/16/37/05/377163705.db2.gz KPGFFNAHAHQIMS-IKGGRYGDSA-N 1 3 290.476 3.241 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000247474928 377209397 /nfs/dbraw/zinc/20/93/97/377209397.db2.gz SXFPEXSZPRFNTP-HZPDHXFCSA-N 1 3 290.451 3.043 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247474928 377209408 /nfs/dbraw/zinc/20/94/08/377209408.db2.gz SXFPEXSZPRFNTP-HZPDHXFCSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)N1CCCCC1 ZINC000248497346 377329731 /nfs/dbraw/zinc/32/97/31/377329731.db2.gz RFWPIWDINXBDAK-QBPKDAKJSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248155178 377272891 /nfs/dbraw/zinc/27/28/91/377272891.db2.gz RHQDHZSOXILJPM-OIISXLGYSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248155178 377272901 /nfs/dbraw/zinc/27/29/01/377272901.db2.gz RHQDHZSOXILJPM-OIISXLGYSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248155178 377272911 /nfs/dbraw/zinc/27/29/11/377272911.db2.gz RHQDHZSOXILJPM-OIISXLGYSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248155178 377272917 /nfs/dbraw/zinc/27/29/17/377272917.db2.gz RHQDHZSOXILJPM-OIISXLGYSA-N 1 3 258.409 3.164 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2ncc(-c3ccccc3)s2)C1 ZINC000562748091 377357774 /nfs/dbraw/zinc/35/77/74/377357774.db2.gz NKQRYRURMOTVQV-GXTWGEPZSA-N 1 3 287.432 3.027 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000563136150 377407663 /nfs/dbraw/zinc/40/76/63/377407663.db2.gz BMCHLLJPYUGOSV-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000563136150 377407676 /nfs/dbraw/zinc/40/76/76/377407676.db2.gz BMCHLLJPYUGOSV-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000249439217 377503040 /nfs/dbraw/zinc/50/30/40/377503040.db2.gz LPUOVRWECJGQHX-HZPDHXFCSA-N 1 3 250.430 3.127 20 0 CGADHO C(CN1CCCCC1)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000249439217 377503043 /nfs/dbraw/zinc/50/30/43/377503043.db2.gz LPUOVRWECJGQHX-HZPDHXFCSA-N 1 3 250.430 3.127 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249434004 377503227 /nfs/dbraw/zinc/50/32/27/377503227.db2.gz KJJKHZJBQPXQSX-NEWSRXKRSA-N 1 3 286.463 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249434004 377503230 /nfs/dbraw/zinc/50/32/30/377503230.db2.gz KJJKHZJBQPXQSX-NEWSRXKRSA-N 1 3 286.463 3.281 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249086284 377458783 /nfs/dbraw/zinc/45/87/83/377458783.db2.gz BYIJDFYPBRGJGN-MGPQQGTHSA-N 1 3 292.389 3.429 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424233 377461370 /nfs/dbraw/zinc/46/13/70/377461370.db2.gz LCFVMYVUIMGAQC-RAEVTNRLSA-N 1 3 280.362 3.070 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)C1 ZINC000563424233 377461375 /nfs/dbraw/zinc/46/13/75/377461375.db2.gz LCFVMYVUIMGAQC-RAEVTNRLSA-N 1 3 280.362 3.070 20 0 CGADHO c1cc(C2CCC2)ccc1CNCCC[NH+]1CCC1 ZINC000563419597 377461936 /nfs/dbraw/zinc/46/19/36/377461936.db2.gz XKGMDWGUFUXNHS-UHFFFAOYSA-N 1 3 258.409 3.140 20 0 CGADHO CC(C)Cc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000095015729 249043130 /nfs/dbraw/zinc/04/31/30/249043130.db2.gz CKQQBMVDHXCPRR-QAPCUYQASA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000095015729 249043132 /nfs/dbraw/zinc/04/31/32/249043132.db2.gz CKQQBMVDHXCPRR-QAPCUYQASA-N 1 3 274.452 3.457 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccccc1OC ZINC000037648808 249002678 /nfs/dbraw/zinc/00/26/78/249002678.db2.gz INMSNIOKZLJYLC-RHSMWYFYSA-N 1 3 288.435 3.220 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000166801032 542176026 /nfs/dbraw/zinc/17/60/26/542176026.db2.gz OAGRAOYZVWZXEO-KURKYZTESA-N 1 3 287.451 3.038 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000166801032 542176031 /nfs/dbraw/zinc/17/60/31/542176031.db2.gz OAGRAOYZVWZXEO-KURKYZTESA-N 1 3 287.451 3.038 20 0 CGADHO Cc1cc(Cl)ccc1C[N@@H+](C)CCCN(C)C ZINC000168097966 542176638 /nfs/dbraw/zinc/17/66/38/542176638.db2.gz FAYJXNSQHAMLNY-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO Cc1cc(Cl)ccc1C[N@H+](C)CCCN(C)C ZINC000168097966 542176641 /nfs/dbraw/zinc/17/66/41/542176641.db2.gz FAYJXNSQHAMLNY-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOCC1CCCC1 ZINC000313272768 249089518 /nfs/dbraw/zinc/08/95/18/249089518.db2.gz RCCAWXCZEKUKHX-RDJZCZTQSA-N 1 3 282.472 3.094 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166642103 542174539 /nfs/dbraw/zinc/17/45/39/542174539.db2.gz WKZHHZNAAVMXAS-DLBZAZTESA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000166642103 542174541 /nfs/dbraw/zinc/17/45/41/542174541.db2.gz WKZHHZNAAVMXAS-DLBZAZTESA-N 1 3 290.426 3.320 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000469983908 249164150 /nfs/dbraw/zinc/16/41/50/249164150.db2.gz JLKHMPHBRIWHRJ-DLBZAZTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c1 ZINC000469983908 249164154 /nfs/dbraw/zinc/16/41/54/249164154.db2.gz JLKHMPHBRIWHRJ-DLBZAZTESA-N 1 3 272.436 3.092 20 0 CGADHO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c1 ZINC000469983908 249164157 /nfs/dbraw/zinc/16/41/57/249164157.db2.gz JLKHMPHBRIWHRJ-DLBZAZTESA-N 1 3 272.436 3.092 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)CC1(C)CC1 ZINC000518619012 249284089 /nfs/dbraw/zinc/28/40/89/249284089.db2.gz CQZXPJLCQURGIR-UHFFFAOYSA-N 1 3 260.425 3.370 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)CC1(C)CC1 ZINC000518619012 249284092 /nfs/dbraw/zinc/28/40/92/249284092.db2.gz CQZXPJLCQURGIR-UHFFFAOYSA-N 1 3 260.425 3.370 20 0 CGADHO C[C@@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1C ZINC000255275924 377746334 /nfs/dbraw/zinc/74/63/34/377746334.db2.gz DYQIWAYNOSOMIZ-ZJBFNYKTSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1C ZINC000255275924 377746345 /nfs/dbraw/zinc/74/63/45/377746345.db2.gz DYQIWAYNOSOMIZ-ZJBFNYKTSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000261571511 377817854 /nfs/dbraw/zinc/81/78/54/377817854.db2.gz RHWOAIIMTHMQOC-NQNKBUKLSA-N 1 3 264.457 3.323 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000261583191 377824431 /nfs/dbraw/zinc/82/44/31/377824431.db2.gz RRIVFXBALDBCNH-BBBLOLIVSA-N 1 3 260.303 3.092 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3csc4ccccc34)C[C@H]12 ZINC000261631287 377829424 /nfs/dbraw/zinc/82/94/24/377829424.db2.gz WAKUGTJNCITBMJ-TUKIKUTGSA-N 1 3 272.417 3.070 20 0 CGADHO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000261690285 377839431 /nfs/dbraw/zinc/83/94/31/377839431.db2.gz KPXMTMTVGBKMFG-MSOLQXFVSA-N 1 3 298.405 3.308 20 0 CGADHO c1ccc([C@H]2CCCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000261933399 377869262 /nfs/dbraw/zinc/86/92/62/377869262.db2.gz LVCXTXXQTONJQT-DOTOQJQBSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000261933399 377869269 /nfs/dbraw/zinc/86/92/69/377869269.db2.gz LVCXTXXQTONJQT-DOTOQJQBSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000261933399 377869274 /nfs/dbraw/zinc/86/92/74/377869274.db2.gz LVCXTXXQTONJQT-DOTOQJQBSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc2ncc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cc2c1 ZINC000262141113 377888134 /nfs/dbraw/zinc/88/81/34/377888134.db2.gz MJLMTVWHDKDVKF-GOSISDBHSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@@]1(CN2CCCC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751353 377849483 /nfs/dbraw/zinc/84/94/83/377849483.db2.gz JWEGKZWNGNXXPO-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC000577865459 378020005 /nfs/dbraw/zinc/02/00/05/378020005.db2.gz BJNQCNQXBZKLRP-ZWKOTPCHSA-N 1 3 268.404 3.242 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc3ccccc3c2)C1 ZINC000577865459 378020007 /nfs/dbraw/zinc/02/00/07/378020007.db2.gz BJNQCNQXBZKLRP-ZWKOTPCHSA-N 1 3 268.404 3.242 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000268865531 378135488 /nfs/dbraw/zinc/13/54/88/378135488.db2.gz TVGPUNRAQREARS-HIFRSBDPSA-N 1 3 278.465 3.447 20 0 CGADHO C[C@H](CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353653 378152887 /nfs/dbraw/zinc/15/28/87/378152887.db2.gz GUCFIQQEAYZMCM-RHSMWYFYSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353653 378152891 /nfs/dbraw/zinc/15/28/91/378152891.db2.gz GUCFIQQEAYZMCM-RHSMWYFYSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@H](C[N@H+]1CC[C@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353653 378152893 /nfs/dbraw/zinc/15/28/93/378152893.db2.gz GUCFIQQEAYZMCM-RHSMWYFYSA-N 1 3 276.399 3.005 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CC2CCC1CC2 ZINC000579714622 378187255 /nfs/dbraw/zinc/18/72/55/378187255.db2.gz HUCUXZYKMSFHSN-TWRYWWQQSA-N 1 3 287.451 3.326 20 0 CGADHO C[C@H](Cc1ccsc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580363743 378244397 /nfs/dbraw/zinc/24/43/97/378244397.db2.gz LXNIHYWPBFLQIZ-SLHHOWHOSA-N 1 3 278.465 3.236 20 0 CGADHO C[C@H](Cc1ccsc1)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580363743 378244402 /nfs/dbraw/zinc/24/44/02/378244402.db2.gz LXNIHYWPBFLQIZ-SLHHOWHOSA-N 1 3 278.465 3.236 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175553 378470142 /nfs/dbraw/zinc/47/01/42/378470142.db2.gz FTZFMBDZFKFALK-CZUORRHYSA-N 1 3 271.408 3.082 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175553 378470147 /nfs/dbraw/zinc/47/01/47/378470147.db2.gz FTZFMBDZFKFALK-CZUORRHYSA-N 1 3 271.408 3.082 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346570727 378626469 /nfs/dbraw/zinc/62/64/69/378626469.db2.gz WLPHHFPNWLBJFG-QZWWFDLISA-N 1 3 282.472 3.044 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1CCCO1 ZINC000346570727 378626473 /nfs/dbraw/zinc/62/64/73/378626473.db2.gz WLPHHFPNWLBJFG-QZWWFDLISA-N 1 3 282.472 3.044 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000638074907 378686968 /nfs/dbraw/zinc/68/69/68/378686968.db2.gz BSZIAKFRUKREPO-AWEZNQCLSA-N 1 3 286.394 3.362 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000638074907 378686975 /nfs/dbraw/zinc/68/69/75/378686975.db2.gz BSZIAKFRUKREPO-AWEZNQCLSA-N 1 3 286.394 3.362 20 0 CGADHO c1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346859631 378694817 /nfs/dbraw/zinc/69/48/17/378694817.db2.gz SXKINRPSUNMFFC-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346859631 378694822 /nfs/dbraw/zinc/69/48/22/378694822.db2.gz SXKINRPSUNMFFC-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO CO[C@@H](CNCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000638601125 378846736 /nfs/dbraw/zinc/84/67/36/378846736.db2.gz KFXLMVRRDDFESI-YOEHRIQHSA-N 1 3 290.451 3.130 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346850045 218036204 /nfs/dbraw/zinc/03/62/04/218036204.db2.gz PFUWVNBTNLOVRF-MSOLQXFVSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346850045 218036205 /nfs/dbraw/zinc/03/62/05/218036205.db2.gz PFUWVNBTNLOVRF-MSOLQXFVSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346854233 218038153 /nfs/dbraw/zinc/03/81/53/218038153.db2.gz TZPLKYALOWVBHL-APHBMKBZSA-N 1 3 278.827 3.126 20 0 CGADHO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CC2=CCN(C)CC2)CC1 ZINC000638839040 378931113 /nfs/dbraw/zinc/93/11/13/378931113.db2.gz VJSBUZRZAYFXNV-WBVHZDCISA-N 1 3 262.441 3.363 20 0 CGADHO C[C@@H]([NH3+])C1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000347051872 218105530 /nfs/dbraw/zinc/10/55/30/218105530.db2.gz RQGHNGLIZQIENW-ZZKXABKFSA-N 1 3 280.362 3.037 20 0 CGADHO C[C@H]([NH3+])C1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000347051869 218106231 /nfs/dbraw/zinc/10/62/31/218106231.db2.gz RQGHNGLIZQIENW-DLGQBQFBSA-N 1 3 280.362 3.037 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000567198845 322153928 /nfs/dbraw/zinc/15/39/28/322153928.db2.gz FQHBMUDXOFFDNG-ZACQAIPSSA-N 1 3 264.457 3.230 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000347098917 218121584 /nfs/dbraw/zinc/12/15/84/218121584.db2.gz IXJAZVOLRNLDQA-ZDUSSCGKSA-N 1 3 272.417 3.196 20 0 CGADHO C[C@@H]1CCCC[C@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347132735 218132798 /nfs/dbraw/zinc/13/27/98/218132798.db2.gz RNKNLJDDVAUXKO-AFLMIKJESA-N 1 3 250.430 3.028 20 0 CGADHO CCC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccsc1 ZINC000276902759 379017471 /nfs/dbraw/zinc/01/74/71/379017471.db2.gz JIZGFEGRHHUOGC-OAHLLOKOSA-N 1 3 264.438 3.441 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc3ncccc23)CC1 ZINC000639105692 379030800 /nfs/dbraw/zinc/03/08/00/379030800.db2.gz UURQQKUSYMSVFA-INIZCTEOSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC000639105692 379030805 /nfs/dbraw/zinc/03/08/05/379030805.db2.gz UURQQKUSYMSVFA-INIZCTEOSA-N 1 3 283.419 3.151 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000347314931 218186992 /nfs/dbraw/zinc/18/69/92/218186992.db2.gz BLRIUEAXHKBFJF-INIZCTEOSA-N 1 3 262.441 3.187 20 0 CGADHO CCc1cccc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277078080 379063234 /nfs/dbraw/zinc/06/32/34/379063234.db2.gz FEADWSIMUACVGT-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277078080 379063238 /nfs/dbraw/zinc/06/32/38/379063238.db2.gz FEADWSIMUACVGT-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000639169582 379089419 /nfs/dbraw/zinc/08/94/19/379089419.db2.gz GALSOBNURDNFEI-IRXDYDNUSA-N 1 3 286.463 3.111 20 0 CGADHO CCc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000349127529 379164203 /nfs/dbraw/zinc/16/42/03/379164203.db2.gz ISGSPDDQCAYSGI-OAHLLOKOSA-N 1 3 276.424 3.006 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccccc1N(C)C ZINC000349405069 379266646 /nfs/dbraw/zinc/26/66/46/379266646.db2.gz HKEOJNAPUVSBNO-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccccc1N(C)C ZINC000349405069 379266651 /nfs/dbraw/zinc/26/66/51/379266651.db2.gz HKEOJNAPUVSBNO-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cn1 ZINC000278391338 379370945 /nfs/dbraw/zinc/37/09/45/379370945.db2.gz FVYURNKIPJFWJX-GFCCVEGCSA-N 1 3 293.842 3.260 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cccc(F)c1F ZINC000278384273 379367884 /nfs/dbraw/zinc/36/78/84/379367884.db2.gz FKUNIDSYUUVXGP-GFCCVEGCSA-N 1 3 294.389 3.490 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423130394 284789755 /nfs/dbraw/zinc/78/97/55/284789755.db2.gz SCNKZURMGUIATQ-GVDBMIGSSA-N 1 3 296.499 3.340 20 0 CGADHO COc1ccccc1CN(CCC[NH3+])CC1CCCC1 ZINC000352527320 379845149 /nfs/dbraw/zinc/84/51/49/379845149.db2.gz YXQWNRHIIQGUFH-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392214193 379910816 /nfs/dbraw/zinc/91/08/16/379910816.db2.gz UGDRHWZHYKGDSF-CVEARBPZSA-N 1 3 250.430 3.053 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000410389514 380090669 /nfs/dbraw/zinc/09/06/69/380090669.db2.gz MODFDLHLLBDUGL-HOTGVXAUSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000410389514 380090674 /nfs/dbraw/zinc/09/06/74/380090674.db2.gz MODFDLHLLBDUGL-HOTGVXAUSA-N 1 3 254.462 3.332 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C)CC(C)C)C1 ZINC000410389514 380090682 /nfs/dbraw/zinc/09/06/82/380090682.db2.gz MODFDLHLLBDUGL-HOTGVXAUSA-N 1 3 254.462 3.332 20 0 CGADHO C[C@H]1C[C@@H](NCc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180671 190383764 /nfs/dbraw/zinc/38/37/64/190383764.db2.gz IQKBSYNKXLMKDI-JSGCOSHPSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@@H](NCc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180671 190383765 /nfs/dbraw/zinc/38/37/65/190383765.db2.gz IQKBSYNKXLMKDI-JSGCOSHPSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc2n[nH]cc2c1 ZINC000353199552 380163793 /nfs/dbraw/zinc/16/37/93/380163793.db2.gz JQFZCBSHTMDWFU-CZUORRHYSA-N 1 3 286.423 3.088 20 0 CGADHO CCC[NH+]1CCC(NCC2(C(F)(F)F)CCC2)CC1 ZINC000353957621 380254547 /nfs/dbraw/zinc/25/45/47/380254547.db2.gz QUVPPLIYIVEDJO-UHFFFAOYSA-N 1 3 278.362 3.183 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3CCC[C@H]3C3CC3)CC2)ccn1 ZINC000414482498 380261558 /nfs/dbraw/zinc/26/15/58/380261558.db2.gz LVEIZTDOPGQSRF-LPHOPBHVSA-N 1 3 299.462 3.466 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCC1 ZINC000353924346 380237775 /nfs/dbraw/zinc/23/77/75/380237775.db2.gz BLWDCQMOGZTOGF-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@H]1CCCNC1 ZINC000643482087 380319486 /nfs/dbraw/zinc/31/94/86/380319486.db2.gz ALPKGRFRIUMJRB-ZFWWWQNUSA-N 1 3 296.405 3.265 20 0 CGADHO C1CCC(C2CCC([NH2+]C3CCNCC3)CC2)CC1 ZINC000643496211 380319493 /nfs/dbraw/zinc/31/94/93/380319493.db2.gz BAAWDCNZLIGAEE-UHFFFAOYSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cnn(C2CCCC2)c1 ZINC000643512362 380333894 /nfs/dbraw/zinc/33/38/94/380333894.db2.gz QBMMQOVLUYHPBD-GRDNDAEWSA-N 1 3 290.455 3.166 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000643522238 380337477 /nfs/dbraw/zinc/33/74/77/380337477.db2.gz KIGAWJHRFIRCAO-ZWKOTPCHSA-N 1 3 272.436 3.048 20 0 CGADHO COc1ccccc1C(C)(C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000643457657 380310288 /nfs/dbraw/zinc/31/02/88/380310288.db2.gz UZLUAESQMBFZOW-JKSUJKDBSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643460321 380312168 /nfs/dbraw/zinc/31/21/68/380312168.db2.gz PWFZFKNTPUHVIM-BZZMCLGOSA-N 1 3 287.451 3.086 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)c1ccncc1 ZINC000643460321 380312174 /nfs/dbraw/zinc/31/21/74/380312174.db2.gz PWFZFKNTPUHVIM-BZZMCLGOSA-N 1 3 287.451 3.086 20 0 CGADHO CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1ccccc1Cl ZINC000643467484 380315928 /nfs/dbraw/zinc/31/59/28/380315928.db2.gz KJKZAIVWHJJZMG-OWCLPIDISA-N 1 3 296.842 3.277 20 0 CGADHO C1CC2(C1)C[C@H]([NH2+][C@@H]1CCCC13CCCC3)CCN2 ZINC000643547362 380363748 /nfs/dbraw/zinc/36/37/48/380363748.db2.gz DISCGLYIFHWYEJ-HUUCEWRRSA-N 1 3 262.441 3.364 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643548710 380364598 /nfs/dbraw/zinc/36/45/98/380364598.db2.gz UBPZQOQHOQWFIG-UBDQQSCGSA-N 1 3 284.447 3.443 20 0 CGADHO CC[C@](C)(NC[C@H]1CC[NH2+][C@H](C)C1)c1nc(C)cs1 ZINC000414713209 380384785 /nfs/dbraw/zinc/38/47/85/380384785.db2.gz TYTGQGGNJXQFPU-ZLDLUXBVSA-N 1 3 281.469 3.054 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCCNCC1 ZINC000643521753 380337751 /nfs/dbraw/zinc/33/77/51/380337751.db2.gz BFSGAIAMBQNFAP-DOMZBBRYSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000643521753 380337764 /nfs/dbraw/zinc/33/77/64/380337764.db2.gz BFSGAIAMBQNFAP-DOMZBBRYSA-N 1 3 282.378 3.018 20 0 CGADHO COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643529017 380346798 /nfs/dbraw/zinc/34/67/98/380346798.db2.gz SSOJQYPEIIKDKX-KBPBESRZSA-N 1 3 284.403 3.360 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643545790 380357428 /nfs/dbraw/zinc/35/74/28/380357428.db2.gz CIGHNQCNJIHEJQ-QWHCGFSZSA-N 1 3 264.438 3.464 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414815022 380426428 /nfs/dbraw/zinc/42/64/28/380426428.db2.gz ZTLJOOWDBKKXDW-UNEWFSDZSA-N 1 3 278.415 3.254 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)CNC ZINC000414829757 380437898 /nfs/dbraw/zinc/43/78/98/380437898.db2.gz BKENSAWAYLYJDS-WBVHZDCISA-N 1 3 262.441 3.233 20 0 CGADHO C[C@@H](NCc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000414855668 380458066 /nfs/dbraw/zinc/45/80/66/380458066.db2.gz NFTXGSIEVCMJLW-KDOFPFPSSA-N 1 3 268.404 3.318 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1c(Cl)cccc1Cl ZINC000414838562 380445659 /nfs/dbraw/zinc/44/56/59/380445659.db2.gz LHMWEYUQWXFMTN-GHMZBOCLSA-N 1 3 289.250 3.370 20 0 CGADHO C[C@H](CCNCC1([NH3+])CCCCC1)c1ccccc1 ZINC000414837945 380446430 /nfs/dbraw/zinc/44/64/30/380446430.db2.gz HOMDLWDZYODUSW-OAHLLOKOSA-N 1 3 260.425 3.431 20 0 CGADHO CC(C)c1ncc(C[NH2+][C@@H](CN)C2CCCCC2)s1 ZINC000414851531 380454013 /nfs/dbraw/zinc/45/40/13/380454013.db2.gz PDJALOJPYIACPH-AWEZNQCLSA-N 1 3 281.469 3.264 20 0 CGADHO Clc1csc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414774725 380398387 /nfs/dbraw/zinc/39/83/87/380398387.db2.gz FUXSQKPBOKTXLS-VXGBXAGGSA-N 1 3 284.856 3.223 20 0 CGADHO Fc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780320 380400296 /nfs/dbraw/zinc/40/02/96/380400296.db2.gz LIINAJDPQBUQAL-KBPBESRZSA-N 1 3 296.817 3.301 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1csc2ccccc12 ZINC000414791607 380406256 /nfs/dbraw/zinc/40/62/56/380406256.db2.gz IABYTCVDXROXOP-RISCZKNCSA-N 1 3 260.406 3.118 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414797907 380411147 /nfs/dbraw/zinc/41/11/47/380411147.db2.gz IQCGEMILKPVSAC-GVDBMIGSSA-N 1 3 260.425 3.115 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccsc1 ZINC000414801466 380414709 /nfs/dbraw/zinc/41/47/09/380414709.db2.gz ADWHZQLBWKABLB-LBPRGKRZSA-N 1 3 254.443 3.176 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414803778 380416937 /nfs/dbraw/zinc/41/69/37/380416937.db2.gz WUJRHMBQBJMVRS-SMDDNHRTSA-N 1 3 288.357 3.209 20 0 CGADHO Cc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc2cccnc12 ZINC000414808657 380419920 /nfs/dbraw/zinc/41/99/20/380419920.db2.gz SLCGFKKJWQFMNY-IAGOWNOFSA-N 1 3 283.419 3.150 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@@H]1CCCNCC1)c1ccccc1 ZINC000414911776 380485991 /nfs/dbraw/zinc/48/59/91/380485991.db2.gz HCPVLZRZWDJWLC-IAGOWNOFSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414918951 380488970 /nfs/dbraw/zinc/48/89/70/380488970.db2.gz VPKZFQPVBQNTQX-WMLDXEAASA-N 1 3 278.415 3.126 20 0 CGADHO C[C@@H](CCC1CCCCC1)[NH2+][C@H]1CCCNCC1 ZINC000414918583 380489186 /nfs/dbraw/zinc/48/91/86/380489186.db2.gz SIMVWWIMTYJMEI-HOCLYGCPSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414930195 380493890 /nfs/dbraw/zinc/49/38/90/380493890.db2.gz SPSCRGSKKRBTGV-KGLIPLIRSA-N 1 3 286.341 3.373 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000414933151 380495609 /nfs/dbraw/zinc/49/56/09/380495609.db2.gz WSUWKAODADLSDZ-MSOLQXFVSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414933480 380495670 /nfs/dbraw/zinc/49/56/70/380495670.db2.gz APJMQZKOOORFTF-RANZSIQMSA-N 1 3 272.436 3.227 20 0 CGADHO COc1ccc2cc(CN[C@H]3CCC[C@H]([NH3+])C3)ccc2c1 ZINC000414935972 380496331 /nfs/dbraw/zinc/49/63/31/380496331.db2.gz YYVMLLBBLYOXCX-IRXDYDNUSA-N 1 3 284.403 3.208 20 0 CGADHO C[C@@H](CCCC(F)(F)F)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414939722 380498144 /nfs/dbraw/zinc/49/81/44/380498144.db2.gz ZXPOVLFCTKJRSL-RYUDHWBXSA-N 1 3 280.378 3.475 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414942446 380499703 /nfs/dbraw/zinc/49/97/03/380499703.db2.gz DLGIBAUBXDLDAF-VNHYZAJKSA-N 1 3 278.465 3.070 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414942446 380499710 /nfs/dbraw/zinc/49/97/10/380499710.db2.gz DLGIBAUBXDLDAF-VNHYZAJKSA-N 1 3 278.465 3.070 20 0 CGADHO CC(C)CCOc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414947554 380501728 /nfs/dbraw/zinc/50/17/28/380501728.db2.gz WQQZAAFXGXXDPB-UHFFFAOYSA-N 1 3 290.451 3.343 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414860163 380461446 /nfs/dbraw/zinc/46/14/46/380461446.db2.gz OLGHCKLHKQBTFM-ZWKOTPCHSA-N 1 3 290.451 3.309 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414860163 380461450 /nfs/dbraw/zinc/46/14/50/380461450.db2.gz OLGHCKLHKQBTFM-ZWKOTPCHSA-N 1 3 290.451 3.309 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867398 380465543 /nfs/dbraw/zinc/46/55/43/380465543.db2.gz ODFIKSHSKVHCKZ-KZNAEPCWSA-N 1 3 272.436 3.445 20 0 CGADHO CCC[NH2+]CCNC1CCC(c2ccc(OC)cc2)CC1 ZINC000414870913 380466857 /nfs/dbraw/zinc/46/68/57/380466857.db2.gz MXIUUEFIKZOPEY-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(-c2ccccc2)cc1 ZINC000414874485 380468850 /nfs/dbraw/zinc/46/88/50/380468850.db2.gz BAWHGVQDWNLSHI-AWEZNQCLSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(Oc2cccc(F)c2)cc1 ZINC000414874069 380468865 /nfs/dbraw/zinc/46/88/65/380468865.db2.gz HYYLMDBACDXVGY-CYBMUJFWSA-N 1 3 288.366 3.302 20 0 CGADHO C[C@@H](CC[NH3+])NCc1ccc(-c2ccc(F)cc2)s1 ZINC000414873983 380468910 /nfs/dbraw/zinc/46/89/10/380468910.db2.gz AHMWJKALNLDXFC-NSHDSACASA-N 1 3 278.396 3.381 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NCC1([NH3+])CCC1 ZINC000414876656 380469886 /nfs/dbraw/zinc/46/98/86/380469886.db2.gz LWSYWXCKXJMSLJ-LLVKDONJSA-N 1 3 286.341 3.107 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899562 380479668 /nfs/dbraw/zinc/47/96/68/380479668.db2.gz CMCVXXUJJBCISS-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H](CC[NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000414901365 380482332 /nfs/dbraw/zinc/48/23/32/380482332.db2.gz FWFIAKNBZCPINL-RDJZCZTQSA-N 1 3 260.425 3.160 20 0 CGADHO Cc1ccc([C@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414905113 380484002 /nfs/dbraw/zinc/48/40/02/380484002.db2.gz MWSWKNIFEFEUKU-KURKYZTESA-N 1 3 272.436 3.363 20 0 CGADHO COC1CCC(C)(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000355141846 380597219 /nfs/dbraw/zinc/59/72/19/380597219.db2.gz XLWHWGBEIZONHQ-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CC34CC4)CC2)C1 ZINC000417342244 380599707 /nfs/dbraw/zinc/59/97/07/380599707.db2.gz CMRVFOGKDLBKRD-VYDXJSESSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000249263336 296314117 /nfs/dbraw/zinc/31/41/17/296314117.db2.gz IEYNORSTSORSEM-SQNIBIBYSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000249263336 296314118 /nfs/dbraw/zinc/31/41/18/296314118.db2.gz IEYNORSTSORSEM-SQNIBIBYSA-N 1 3 294.483 3.142 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360029379 381418019 /nfs/dbraw/zinc/41/80/19/381418019.db2.gz MRRSMNWOHVTOGO-VFVRVIDISA-N 1 3 288.410 3.133 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000360029379 381418021 /nfs/dbraw/zinc/41/80/21/381418021.db2.gz MRRSMNWOHVTOGO-VFVRVIDISA-N 1 3 288.410 3.133 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000221276173 542288335 /nfs/dbraw/zinc/28/83/35/542288335.db2.gz LCVZCISYBQAVPO-HOTGVXAUSA-N 1 3 260.425 3.214 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000362917939 382146424 /nfs/dbraw/zinc/14/64/24/382146424.db2.gz LYBGKCBWLLTKOD-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO C[NH+](C)CCCNCc1ccc(F)c2ccccc12 ZINC000234218436 542308836 /nfs/dbraw/zinc/30/88/36/542308836.db2.gz UUDPJWVVGZYENW-UHFFFAOYSA-N 1 3 260.356 3.020 20 0 CGADHO Cc1n[nH]cc1[C@H](C)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246020800 542325021 /nfs/dbraw/zinc/32/50/21/542325021.db2.gz UXMYDHJLIKJQOB-KFWWJZLASA-N 1 3 292.471 3.127 20 0 CGADHO CC[C@@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251549020 542346619 /nfs/dbraw/zinc/34/66/19/542346619.db2.gz BAHURDVINLJHMJ-CZUORRHYSA-N 1 3 296.842 3.168 20 0 CGADHO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251610041 542346673 /nfs/dbraw/zinc/34/66/73/542346673.db2.gz CBZVJCKXIKEUJY-UGUYLWEFSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423450451 532993767 /nfs/dbraw/zinc/99/37/67/532993767.db2.gz SYJLCIGFYSDFIJ-VWYCJHECSA-N 1 3 290.329 3.014 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)CN)cc1F ZINC000423296021 533138687 /nfs/dbraw/zinc/13/86/87/533138687.db2.gz FZUBHSJNIRLPRD-IVMMDQJWSA-N 1 3 294.414 3.045 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+]CC(C)(C)N)cc1 ZINC000423283188 533189147 /nfs/dbraw/zinc/18/91/47/533189147.db2.gz DVPSJXXFGWZFEI-SFHVURJKSA-N 1 3 298.430 3.306 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000339076603 542485901 /nfs/dbraw/zinc/48/59/01/542485901.db2.gz UZAKKBRPOMXFBH-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000339076603 542485904 /nfs/dbraw/zinc/48/59/04/542485904.db2.gz UZAKKBRPOMXFBH-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000339076603 542485908 /nfs/dbraw/zinc/48/59/08/542485908.db2.gz UZAKKBRPOMXFBH-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348099718 542513565 /nfs/dbraw/zinc/51/35/65/542513565.db2.gz DWYKZDAPCKEASV-DLBZAZTESA-N 1 3 258.409 3.026 20 0 CGADHO C[C@@H](NCC1([NH3+])CCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000423328591 533360083 /nfs/dbraw/zinc/36/00/83/533360083.db2.gz NYPJFWBXLSBOCR-NWDGAFQWSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156166096 533543896 /nfs/dbraw/zinc/54/38/96/533543896.db2.gz PMPWWEDNFZUPIF-JMSVASOKSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000156166096 533543899 /nfs/dbraw/zinc/54/38/99/533543899.db2.gz PMPWWEDNFZUPIF-JMSVASOKSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449154574 533623416 /nfs/dbraw/zinc/62/34/16/533623416.db2.gz NPCUYQYZHKGWIW-CQSZACIVSA-N 1 3 284.488 3.026 20 0 CGADHO CC[C@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)CC1 ZINC000392269288 542611969 /nfs/dbraw/zinc/61/19/69/542611969.db2.gz JYCYLNIDMXMMRL-HOCLYGCPSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)(C)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414922883 542640158 /nfs/dbraw/zinc/64/01/58/542640158.db2.gz HQDHLFRIKZJVJS-NEPJUHHUSA-N 1 3 266.454 3.405 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414935203 542640928 /nfs/dbraw/zinc/64/09/28/542640928.db2.gz AWPWHTGDKXZFHD-DNVCBOLYSA-N 1 3 280.415 3.441 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1cccc(Cl)c1 ZINC000414923581 542641016 /nfs/dbraw/zinc/64/10/16/542641016.db2.gz IOPCASWBNYKKMR-UGFHNGPFSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000414923581 542641017 /nfs/dbraw/zinc/64/10/17/542641017.db2.gz IOPCASWBNYKKMR-UGFHNGPFSA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC1)C1CCCCC1 ZINC000052338511 392077876 /nfs/dbraw/zinc/07/78/76/392077876.db2.gz CYLMRMVKWOJIIM-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H]1CN(C2c3ccccc3-c3ccccc32)CC[C@@H]1[NH3+] ZINC000094339144 392241049 /nfs/dbraw/zinc/24/10/49/392241049.db2.gz LZTHQTLYIIAOML-UGSOOPFHSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC1(C)C)CN1CCCCC1 ZINC000094307661 392241417 /nfs/dbraw/zinc/24/14/17/392241417.db2.gz XCULCVBOQCZGEU-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000070091557 392176663 /nfs/dbraw/zinc/17/66/63/392176663.db2.gz GBZGKSGTLFLUSF-QWHCGFSZSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000070091557 392176667 /nfs/dbraw/zinc/17/66/67/392176667.db2.gz GBZGKSGTLFLUSF-QWHCGFSZSA-N 1 3 264.438 3.191 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000070092009 392177183 /nfs/dbraw/zinc/17/71/83/392177183.db2.gz KWEGKRKOEYKMKT-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccsc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000070092009 392177185 /nfs/dbraw/zinc/17/71/85/392177185.db2.gz KWEGKRKOEYKMKT-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000087710354 392226448 /nfs/dbraw/zinc/22/64/48/392226448.db2.gz QPNRSYAYYGSDPW-HOTGVXAUSA-N 1 3 294.483 3.187 20 0 CGADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CCSC3)C2)CC1 ZINC000365868570 392447878 /nfs/dbraw/zinc/44/78/78/392447878.db2.gz BPZWOGUZFJYTLL-IRXDYDNUSA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000365868570 392447885 /nfs/dbraw/zinc/44/78/85/392447885.db2.gz BPZWOGUZFJYTLL-IRXDYDNUSA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000365868570 392447891 /nfs/dbraw/zinc/44/78/91/392447891.db2.gz BPZWOGUZFJYTLL-IRXDYDNUSA-N 1 3 296.524 3.183 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000367093057 392471169 /nfs/dbraw/zinc/47/11/69/392471169.db2.gz IXYBPMTUZNBUKL-TVFCKZIOSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000367093057 392471174 /nfs/dbraw/zinc/47/11/74/392471174.db2.gz IXYBPMTUZNBUKL-TVFCKZIOSA-N 1 3 284.447 3.457 20 0 CGADHO COc1cccc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158621321 392572080 /nfs/dbraw/zinc/57/20/80/392572080.db2.gz XNKAWFSMXIPZJR-YXJHDRRASA-N 1 3 288.435 3.172 20 0 CGADHO COc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000158621321 392572084 /nfs/dbraw/zinc/57/20/84/392572084.db2.gz XNKAWFSMXIPZJR-YXJHDRRASA-N 1 3 288.435 3.172 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC(F)F ZINC000647800905 392803150 /nfs/dbraw/zinc/80/31/50/392803150.db2.gz LTGCIGFGAHXOFB-REWJHTLYSA-N 1 3 274.399 3.178 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647879492 392821371 /nfs/dbraw/zinc/82/13/71/392821371.db2.gz ASKAWVGONPIVTO-KSSFIOAISA-N 1 3 270.420 3.138 20 0 CGADHO Clc1ccc(CCCN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957048 392843419 /nfs/dbraw/zinc/84/34/19/392843419.db2.gz JQUMZXMYCPJVSG-QGZVFWFLSA-N 1 3 292.854 3.348 20 0 CGADHO Clc1ccc(CCC[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000647957048 392843424 /nfs/dbraw/zinc/84/34/24/392843424.db2.gz JQUMZXMYCPJVSG-QGZVFWFLSA-N 1 3 292.854 3.348 20 0 CGADHO Clc1ccc(CCC[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000647957048 392843430 /nfs/dbraw/zinc/84/34/30/392843430.db2.gz JQUMZXMYCPJVSG-QGZVFWFLSA-N 1 3 292.854 3.348 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000647888118 392826890 /nfs/dbraw/zinc/82/68/90/392826890.db2.gz NJJKHEAWADOOBQ-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H]1COc2ccccc2CN1CCCC1CC[NH2+]CC1 ZINC000647991325 392858770 /nfs/dbraw/zinc/85/87/70/392858770.db2.gz ZQLYHEPGWDXYCC-HNNXBMFYSA-N 1 3 288.435 3.049 20 0 CGADHO Cc1cc(N2C[C@@H](C)N(C)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000338785006 392929244 /nfs/dbraw/zinc/92/92/44/392929244.db2.gz BDWJSPOCFRSDRT-ZIAGYGMSSA-N 1 3 269.392 3.072 20 0 CGADHO C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN4CCC[C@H]4C3)C[C@H]2C1 ZINC000339076651 392945307 /nfs/dbraw/zinc/94/53/07/392945307.db2.gz WIAIYIBQZCIVBL-UUAJXVIYSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000459496447 392945941 /nfs/dbraw/zinc/94/59/41/392945941.db2.gz XNGFPFKOSUMNNJ-DNVCBOLYSA-N 1 3 284.447 3.264 20 0 CGADHO C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000459496447 392945946 /nfs/dbraw/zinc/94/59/46/392945946.db2.gz XNGFPFKOSUMNNJ-DNVCBOLYSA-N 1 3 284.447 3.264 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222237081 393009665 /nfs/dbraw/zinc/00/96/65/393009665.db2.gz FIYLFDAKMJFDIL-JYJNAYRXSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000222237081 393009667 /nfs/dbraw/zinc/00/96/67/393009667.db2.gz FIYLFDAKMJFDIL-JYJNAYRXSA-N 1 3 260.425 3.437 20 0 CGADHO CCCC[C@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000545949848 393019435 /nfs/dbraw/zinc/01/94/35/393019435.db2.gz WVSCQRZMXKLXDG-JKSUJKDBSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ncc(-c2ccccc2)s1 ZINC000415009206 393093666 /nfs/dbraw/zinc/09/36/66/393093666.db2.gz FAXSBTZUIATUMM-CYBMUJFWSA-N 1 3 289.448 3.417 20 0 CGADHO CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346998992 393098285 /nfs/dbraw/zinc/09/82/85/393098285.db2.gz YDCHBQKBANWORN-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000346998992 393098288 /nfs/dbraw/zinc/09/82/88/393098288.db2.gz YDCHBQKBANWORN-HOTGVXAUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CCC[NH3+])NCc1csc(-c2ccccc2)n1 ZINC000415023986 393101580 /nfs/dbraw/zinc/10/15/80/393101580.db2.gz NVSGDEZPGBBXMQ-GFCCVEGCSA-N 1 3 275.421 3.027 20 0 CGADHO COCC[C@H](C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000414204901 393043928 /nfs/dbraw/zinc/04/39/28/393043928.db2.gz ORFNNVLOFVWFKH-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000414949671 393058199 /nfs/dbraw/zinc/05/81/99/393058199.db2.gz GJJLTIYSOVHWRH-HYVNUMGLSA-N 1 3 260.425 3.156 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CCN1 ZINC000414948889 393058239 /nfs/dbraw/zinc/05/82/39/393058239.db2.gz MSTSUQJXZWVKLG-RYUDHWBXSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@H]1C[C@@H](NCCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414948889 393058241 /nfs/dbraw/zinc/05/82/41/393058241.db2.gz MSTSUQJXZWVKLG-RYUDHWBXSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)c1cccc(Cl)c1 ZINC000414963928 393069903 /nfs/dbraw/zinc/06/99/03/393069903.db2.gz DMCPSBFSYMTQED-SWLSCSKDSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](CN[C@@H]1CC[NH2+]CC1(C)C)c1cccc(Cl)c1 ZINC000414963928 393069909 /nfs/dbraw/zinc/06/99/09/393069909.db2.gz DMCPSBFSYMTQED-SWLSCSKDSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCNCC1(C)C ZINC000414967211 393071412 /nfs/dbraw/zinc/07/14/12/393071412.db2.gz HCRPZOVPVPWMJM-RDJZCZTQSA-N 1 3 274.452 3.233 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000414974471 393074735 /nfs/dbraw/zinc/07/47/35/393074735.db2.gz NNELHJLLQVPONO-HNNXBMFYSA-N 1 3 274.433 3.379 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414985822 393081139 /nfs/dbraw/zinc/08/11/39/393081139.db2.gz IBZYNTFGFQVHJF-NJZAAPMLSA-N 1 3 266.816 3.303 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648585350 393114697 /nfs/dbraw/zinc/11/46/97/393114697.db2.gz BBBWITRTGKWUSV-APWZRJJASA-N 1 3 286.463 3.254 20 0 CGADHO C[C@H](CN1C[C@@H](C)[C@](C)(C[NH3+])C1)c1cccc(Cl)c1 ZINC000415062922 393122479 /nfs/dbraw/zinc/12/24/79/393122479.db2.gz ZSDFCPRJLKTMIG-XJKCOSOUSA-N 1 3 280.843 3.360 20 0 CGADHO C[C@H](C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1)c1cccc(Cl)c1 ZINC000415062922 393122483 /nfs/dbraw/zinc/12/24/83/393122483.db2.gz ZSDFCPRJLKTMIG-XJKCOSOUSA-N 1 3 280.843 3.360 20 0 CGADHO C[C@H](C[N@H+]1C[C@@H](C)[C@](C)(CN)C1)c1cccc(Cl)c1 ZINC000415062922 393122484 /nfs/dbraw/zinc/12/24/84/393122484.db2.gz ZSDFCPRJLKTMIG-XJKCOSOUSA-N 1 3 280.843 3.360 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415095295 393142677 /nfs/dbraw/zinc/14/26/77/393142677.db2.gz ZJNWHIIPLMHZQW-OIISXLGYSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@@H]1CCN(Cc2cc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000415124439 393150965 /nfs/dbraw/zinc/15/09/65/393150965.db2.gz KFCPDGOWVAIWSX-OCCSQVGLSA-N 1 3 274.433 3.318 20 0 CGADHO C(=C\C[N@@H+]1CCCC2(CC2)C1)\CN1CCCC2(CC2)C1 ZINC000588492168 542769729 /nfs/dbraw/zinc/76/97/29/542769729.db2.gz LLHOQNDDLPBNKN-UPHRSURJSA-N 1 3 274.452 3.295 20 0 CGADHO C(=C\C[N@H+]1CCCC2(CC2)C1)\CN1CCCC2(CC2)C1 ZINC000588492168 542769732 /nfs/dbraw/zinc/76/97/32/542769732.db2.gz LLHOQNDDLPBNKN-UPHRSURJSA-N 1 3 274.452 3.295 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000647230280 393400591 /nfs/dbraw/zinc/40/05/91/393400591.db2.gz SSXCQMKPBNBIBT-ZJPYXAASSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000647230280 393400593 /nfs/dbraw/zinc/40/05/93/393400593.db2.gz SSXCQMKPBNBIBT-ZJPYXAASSA-N 1 3 270.420 3.007 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CCOCC1 ZINC000474800660 393348567 /nfs/dbraw/zinc/34/85/67/393348567.db2.gz URWYOXSEILYUBE-BPQIPLTHSA-N 1 3 296.499 3.292 20 0 CGADHO CN(CC(C)(C)C[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000420288075 393450400 /nfs/dbraw/zinc/45/04/00/393450400.db2.gz IQBQQQYNIJNVFV-HNNXBMFYSA-N 1 3 264.388 3.120 20 0 CGADHO C[N@H+](CC(C)(C)CN)[C@H]1CCCc2ccc(F)cc21 ZINC000420288075 393450402 /nfs/dbraw/zinc/45/04/02/393450402.db2.gz IQBQQQYNIJNVFV-HNNXBMFYSA-N 1 3 264.388 3.120 20 0 CGADHO C[N@@H+](CC(C)(C)CN)[C@H]1CCCc2ccc(F)cc21 ZINC000420288075 393450404 /nfs/dbraw/zinc/45/04/04/393450404.db2.gz IQBQQQYNIJNVFV-HNNXBMFYSA-N 1 3 264.388 3.120 20 0 CGADHO CCc1cccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420394427 393482845 /nfs/dbraw/zinc/48/28/45/393482845.db2.gz KMGHUWAMGSUMQT-ZWKOTPCHSA-N 1 3 272.436 3.213 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(C)Cc2ccccc2C)cc1 ZINC000420328319 393467622 /nfs/dbraw/zinc/46/76/22/393467622.db2.gz ZDTHUEBTZLKODK-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2ccccc2C)cc1 ZINC000420328319 393467629 /nfs/dbraw/zinc/46/76/29/393467629.db2.gz ZDTHUEBTZLKODK-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2ccccc2C)cc1 ZINC000420328319 393467635 /nfs/dbraw/zinc/46/76/35/393467635.db2.gz ZDTHUEBTZLKODK-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO Clc1cccc2c1CC[C@H]2N1CCC2(CC[NH2+]C2)CC1 ZINC000420336389 393469930 /nfs/dbraw/zinc/46/99/30/393469930.db2.gz MFXWRJQERSRDGO-MRXNPFEDSA-N 1 3 290.838 3.403 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000429534121 393475367 /nfs/dbraw/zinc/47/53/67/393475367.db2.gz COZAXWGKFPFMLT-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000429534121 393475373 /nfs/dbraw/zinc/47/53/73/393475373.db2.gz COZAXWGKFPFMLT-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO c1cc(CCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420404362 393484172 /nfs/dbraw/zinc/48/41/72/393484172.db2.gz RYIYLGVYYWXFPK-HOTGVXAUSA-N 1 3 278.465 3.145 20 0 CGADHO C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409982 393484377 /nfs/dbraw/zinc/48/43/77/393484377.db2.gz XUGYFRKEGOMESO-SJLPKXTDSA-N 1 3 294.483 3.190 20 0 CGADHO CC[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000420421905 393485873 /nfs/dbraw/zinc/48/58/73/393485873.db2.gz YYTYRJDDBZHBPE-BLLLJJGKSA-N 1 3 282.378 3.395 20 0 CGADHO CC[C@@H]1C[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980356 393506244 /nfs/dbraw/zinc/50/62/44/393506244.db2.gz SQWVECWDNDYYIQ-RCCFBDPRSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)CCO1 ZINC000356980356 393506248 /nfs/dbraw/zinc/50/62/48/393506248.db2.gz SQWVECWDNDYYIQ-RCCFBDPRSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N3CCCC3)CC2)CCO1 ZINC000356980356 393506252 /nfs/dbraw/zinc/50/62/52/393506252.db2.gz SQWVECWDNDYYIQ-RCCFBDPRSA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)C1CC([NH2+]CC[C@H](C)N2CCCCC2)C1 ZINC000488485923 393527835 /nfs/dbraw/zinc/52/78/35/393527835.db2.gz WJTKMHHTMZZBBJ-FHERZECASA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430161274 393532153 /nfs/dbraw/zinc/53/21/53/393532153.db2.gz HSHQOOXNQAVTFB-KRWDZBQOSA-N 1 3 292.854 3.484 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000430161274 393532159 /nfs/dbraw/zinc/53/21/59/393532159.db2.gz HSHQOOXNQAVTFB-KRWDZBQOSA-N 1 3 292.854 3.484 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430568608 393576130 /nfs/dbraw/zinc/57/61/30/393576130.db2.gz HRGZGBHHYYEOFK-HNAYVOBHSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568608 393576135 /nfs/dbraw/zinc/57/61/35/393576135.db2.gz HRGZGBHHYYEOFK-HNAYVOBHSA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568608 393576140 /nfs/dbraw/zinc/57/61/40/393576140.db2.gz HRGZGBHHYYEOFK-HNAYVOBHSA-N 1 3 282.431 3.442 20 0 CGADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000666859937 542822132 /nfs/dbraw/zinc/82/21/32/542822132.db2.gz IBKMSIWTHPUFFN-YDZRNGNQSA-N 1 3 299.462 3.157 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360838307 393595464 /nfs/dbraw/zinc/59/54/64/393595464.db2.gz TYZXJGCKQYTBTO-YJBOKZPZSA-N 1 3 287.451 3.244 20 0 CGADHO C[C@H]([NH2+]CCCCF)c1cccc(OCCN(C)C)c1 ZINC000361002157 393635177 /nfs/dbraw/zinc/63/51/77/393635177.db2.gz IFJFHMAGHXNYAA-AWEZNQCLSA-N 1 3 282.403 3.027 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738218 393640556 /nfs/dbraw/zinc/64/05/56/393640556.db2.gz ITMMZDHMMWYTLC-QMTHXVAHSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1c(Cl)cccc1Cl ZINC000422738218 393640558 /nfs/dbraw/zinc/64/05/58/393640558.db2.gz ITMMZDHMMWYTLC-QMTHXVAHSA-N 1 3 287.234 3.253 20 0 CGADHO CCC1CCC(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422708314 393640562 /nfs/dbraw/zinc/64/05/62/393640562.db2.gz BMSMWIDHYDGQIZ-SLTXQBBLSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)c1ccc(CCCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422771746 393641758 /nfs/dbraw/zinc/64/17/58/393641758.db2.gz YMVDQPHVAYTQGU-DLBZAZTESA-N 1 3 260.425 3.212 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000422752747 393642643 /nfs/dbraw/zinc/64/26/43/393642643.db2.gz CZJOXRXIJWZWJQ-HZPDHXFCSA-N 1 3 278.415 3.353 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@@H]1CCCCN1 ZINC000422827967 393643696 /nfs/dbraw/zinc/64/36/96/393643696.db2.gz AHFYZOZGYMNODQ-JQFCIGGWSA-N 1 3 290.476 3.137 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C1CCCCC1 ZINC000422883009 393645538 /nfs/dbraw/zinc/64/55/38/393645538.db2.gz UABHHYPHCZLXON-KBMXLJTQSA-N 1 3 252.446 3.323 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000423056219 393650280 /nfs/dbraw/zinc/65/02/80/393650280.db2.gz XPWINDVPAYYEEP-MGPQQGTHSA-N 1 3 264.438 3.375 20 0 CGADHO CC(C)(N)C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423287099 393658874 /nfs/dbraw/zinc/65/88/74/393658874.db2.gz KHAVYHAIWFYTHL-ZDUSSCGKSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391082 393665487 /nfs/dbraw/zinc/66/54/87/393665487.db2.gz PFSSDMSVJFVMGN-PBFPGSCMSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497865 393671398 /nfs/dbraw/zinc/67/13/98/393671398.db2.gz HMTIHFGBRJPUMI-JLZZUVOBSA-N 1 3 258.409 3.342 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000445986702 393839068 /nfs/dbraw/zinc/83/90/68/393839068.db2.gz XBYWZHSMHLOIAJ-SQNIBIBYSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993884 542832653 /nfs/dbraw/zinc/83/26/53/542832653.db2.gz QSGQFXQMXNMZDM-NVXWUHKLSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](CCN[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666993884 542832655 /nfs/dbraw/zinc/83/26/55/542832655.db2.gz QSGQFXQMXNMZDM-NVXWUHKLSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993859 542832889 /nfs/dbraw/zinc/83/28/89/542832889.db2.gz PCIIPYHLTCXTBX-DZGCQCFKSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993859 542832892 /nfs/dbraw/zinc/83/28/92/542832892.db2.gz PCIIPYHLTCXTBX-DZGCQCFKSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C[C@H]1C ZINC000666995736 542833447 /nfs/dbraw/zinc/83/34/47/542833447.db2.gz YEAARHJOOAUDBU-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO Cc1cc(C[NH2+][C@H]2CCNC3(CCC3)C2)cc2cccnc12 ZINC000666996986 542834084 /nfs/dbraw/zinc/83/40/84/542834084.db2.gz PSQSRGXSTIILJL-KRWDZBQOSA-N 1 3 295.430 3.308 20 0 CGADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000666999399 542834761 /nfs/dbraw/zinc/83/47/61/542834761.db2.gz CLSKAHXIEWLFSC-MRXNPFEDSA-N 1 3 258.409 3.068 20 0 CGADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)CC)CC1 ZINC000453580602 394249561 /nfs/dbraw/zinc/24/95/61/394249561.db2.gz JWJSREWBRKRFHA-MRXNPFEDSA-N 1 3 289.467 3.107 20 0 CGADHO C[C@@H](CN[C@@H](c1ccccc1)C1CC1)C[NH+]1CCCC1 ZINC000062079183 397638108 /nfs/dbraw/zinc/63/81/08/397638108.db2.gz VBAVBSWISXKQNI-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)CN1CCCC1 ZINC000062079183 397638113 /nfs/dbraw/zinc/63/81/13/397638113.db2.gz VBAVBSWISXKQNI-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO c1ccc2c(c1)CC(N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000232457291 397668187 /nfs/dbraw/zinc/66/81/87/397668187.db2.gz CZNNJZQAEOSLPZ-CEXWTWQISA-N 1 3 284.447 3.054 20 0 CGADHO c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C2 ZINC000232457291 397668190 /nfs/dbraw/zinc/66/81/90/397668190.db2.gz CZNNJZQAEOSLPZ-CEXWTWQISA-N 1 3 284.447 3.054 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cc2ccccc2s1 ZINC000334361854 397682342 /nfs/dbraw/zinc/68/23/42/397682342.db2.gz CFHZETRZBUMNSC-WFASDCNBSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cc2ccccc2s1 ZINC000334361854 397682344 /nfs/dbraw/zinc/68/23/44/397682344.db2.gz CFHZETRZBUMNSC-WFASDCNBSA-N 1 3 274.433 3.331 20 0 CGADHO COC[C@H](NCCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000650763103 397912403 /nfs/dbraw/zinc/91/24/03/397912403.db2.gz RCDCTRPOUKKKIX-INIZCTEOSA-N 1 3 296.842 3.007 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCCC1 ZINC000421824430 292146714 /nfs/dbraw/zinc/14/67/14/292146714.db2.gz IPIAPZXMNPKAAW-HOTGVXAUSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000675778244 543363585 /nfs/dbraw/zinc/36/35/85/543363585.db2.gz AKDKKPMSQXOTNA-CQSZACIVSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000675722725 543357830 /nfs/dbraw/zinc/35/78/30/543357830.db2.gz OYWHFQAATQTACB-HUUCEWRRSA-N 1 3 278.440 3.466 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000675752793 543360743 /nfs/dbraw/zinc/36/07/43/543360743.db2.gz YXFCHVVBHJCMBZ-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000675751920 543360819 /nfs/dbraw/zinc/36/08/19/543360819.db2.gz GJZFTJOSYGKVPU-JYJNAYRXSA-N 1 3 250.430 3.338 20 0 CGADHO Cc1ccc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677235848 543440771 /nfs/dbraw/zinc/44/07/71/543440771.db2.gz JFHDXFFQUROAJO-MOPGFXCFSA-N 1 3 286.463 3.452 20 0 CGADHO Cc1ccc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677235848 543440772 /nfs/dbraw/zinc/44/07/72/543440772.db2.gz JFHDXFFQUROAJO-MOPGFXCFSA-N 1 3 286.463 3.452 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678119863 543485125 /nfs/dbraw/zinc/48/51/25/543485125.db2.gz BAKOBSMUHHHCNB-QGZVFWFLSA-N 1 3 290.451 3.392 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678119863 543485127 /nfs/dbraw/zinc/48/51/27/543485127.db2.gz BAKOBSMUHHHCNB-QGZVFWFLSA-N 1 3 290.451 3.392 20 0 CGADHO Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)C1CC[NH+](C)CC1 ZINC000678582472 543537918 /nfs/dbraw/zinc/53/79/18/543537918.db2.gz LSCNQGPHQYTMEU-YOEHRIQHSA-N 1 3 288.435 3.057 20 0 CGADHO Cc1cc(C)c(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678604345 543542601 /nfs/dbraw/zinc/54/26/01/543542601.db2.gz IKUDQHQKMFKBJC-MSOLQXFVSA-N 1 3 286.463 3.371 20 0 CGADHO Cc1cc(C)c(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678604345 543542603 /nfs/dbraw/zinc/54/26/03/543542603.db2.gz IKUDQHQKMFKBJC-MSOLQXFVSA-N 1 3 286.463 3.371 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2=CCN(C)CC2)cc1 ZINC000366690442 292214461 /nfs/dbraw/zinc/21/44/61/292214461.db2.gz AMJIZGFDXSHNMD-OALUTQOASA-N 1 3 284.447 3.483 20 0 CGADHO c1csc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250098432 296639192 /nfs/dbraw/zinc/63/91/92/296639192.db2.gz VFBAXFXYRCAWCB-ARFHVFGLSA-N 1 3 278.465 3.191 20 0 CGADHO Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000251206231 292247474 /nfs/dbraw/zinc/24/74/74/292247474.db2.gz ALDUYAMCQDGJQC-RWMBFGLXSA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)s1 ZINC000251206231 292247477 /nfs/dbraw/zinc/24/74/77/292247477.db2.gz ALDUYAMCQDGJQC-RWMBFGLXSA-N 1 3 252.427 3.225 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449168776 289304404 /nfs/dbraw/zinc/30/44/04/289304404.db2.gz FGMDAXPVRARHBV-RBSFLKMASA-N 1 3 250.430 3.172 20 0 CGADHO COCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183186272 292383571 /nfs/dbraw/zinc/38/35/71/292383571.db2.gz NDTIQGMJQXZLLA-ARFHVFGLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414825595 298384842 /nfs/dbraw/zinc/38/48/42/298384842.db2.gz TXALMTWGVCWWCR-IJLUTSLNSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)CN(C)C ZINC000425925378 286876506 /nfs/dbraw/zinc/87/65/06/286876506.db2.gz QZYGTFKNUCXXJF-GJZGRUSLSA-N 1 3 262.441 3.140 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423296032 298529645 /nfs/dbraw/zinc/52/96/45/298529645.db2.gz GAFODZRYTMUNQX-ZWNOBZJWSA-N 1 3 284.856 3.451 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000089147682 165198945 /nfs/dbraw/zinc/19/89/45/165198945.db2.gz GZGHZBMLUOVNFM-SUHUHFCYSA-N 1 3 252.789 3.118 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(OCCN(C)C)c1 ZINC000090036115 165223807 /nfs/dbraw/zinc/22/38/07/165223807.db2.gz ANDNXHYSHQSPEK-NVXWUHKLSA-N 1 3 288.435 3.386 20 0 CGADHO CCC[NH+]1CCC(NC[C@H]2CSc3ccccc32)CC1 ZINC000092275207 165289237 /nfs/dbraw/zinc/28/92/37/165289237.db2.gz PEHJUYVCKOAFEU-AWEZNQCLSA-N 1 3 290.476 3.340 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000092563699 165301930 /nfs/dbraw/zinc/30/19/30/165301930.db2.gz SUPPOKJAQMTIAX-ARFHVFGLSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccncc1 ZINC000092856878 165315103 /nfs/dbraw/zinc/31/51/03/165315103.db2.gz DVLUBZDSVGWEDI-HNNXBMFYSA-N 1 3 296.418 3.044 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc3ccccc32)C1 ZINC000093215829 165323530 /nfs/dbraw/zinc/32/35/30/165323530.db2.gz CYYIOXNDSSDPKH-HZPDHXFCSA-N 1 3 254.377 3.199 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000094875215 165395599 /nfs/dbraw/zinc/39/55/99/165395599.db2.gz AZTJXRFTXXUDEU-HZSPNIEDSA-N 1 3 264.438 3.067 20 0 CGADHO C[C@@H](c1cccc(F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197898 287143465 /nfs/dbraw/zinc/14/34/65/287143465.db2.gz NVXGGHRXAWROJC-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000262013749 165845511 /nfs/dbraw/zinc/84/55/11/165845511.db2.gz VENSPTYTXNWAQD-UHFFFAOYSA-N 1 3 298.377 3.110 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000126572090 287268024 /nfs/dbraw/zinc/26/80/24/287268024.db2.gz AAPMOPMTBHMLPC-ZDUSSCGKSA-N 1 3 280.481 3.477 20 0 CGADHO Fc1ccc(/C=C/C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1F ZINC000285416739 196279142 /nfs/dbraw/zinc/27/91/42/196279142.db2.gz JJBKWCIVALQILI-OAZXXZECSA-N 1 3 292.373 3.194 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000128555322 287313755 /nfs/dbraw/zinc/31/37/55/287313755.db2.gz OTKYAYZAHSSALJ-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000422881277 298963602 /nfs/dbraw/zinc/96/36/02/298963602.db2.gz YPXZXGUQPKGHEB-KKUMJFAQSA-N 1 3 275.440 3.063 20 0 CGADHO C1[C@H]2CC[C@@H]([NH2+][C@H]3CCC[C@H]3[C@H]3CCCCN3)C[C@@H]12 ZINC000403327924 416548424 /nfs/dbraw/zinc/54/84/24/416548424.db2.gz BAUQGHCAILKWSZ-IKIFYQGPSA-N 1 3 262.441 3.075 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000129606089 287335754 /nfs/dbraw/zinc/33/57/54/287335754.db2.gz MIFKQFFCPYMTRJ-OWCLPIDISA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000129606089 287335756 /nfs/dbraw/zinc/33/57/56/287335756.db2.gz MIFKQFFCPYMTRJ-OWCLPIDISA-N 1 3 260.425 3.437 20 0 CGADHO CC1CC[NH+](Cc2cccc(CNC3CSC3)c2)CC1 ZINC000679625611 543650920 /nfs/dbraw/zinc/65/09/20/543650920.db2.gz IHGNRWZXKZUFKF-UHFFFAOYSA-N 1 3 290.476 3.124 20 0 CGADHO Oc1cccc2c(N3CCC[C@H]([NH+]4CCCC4)C3)ccnc12 ZINC000682239847 543836099 /nfs/dbraw/zinc/83/60/99/543836099.db2.gz ZVMJCEOTPTVPGR-AWEZNQCLSA-N 1 3 297.402 3.005 20 0 CGADHO Cc1nc([C@H](C)NCC2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000683694550 543933162 /nfs/dbraw/zinc/93/31/62/543933162.db2.gz XRUZWZUGZASDPF-NSHDSACASA-N 1 3 293.480 3.285 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000684394105 543992625 /nfs/dbraw/zinc/99/26/25/543992625.db2.gz WYOZZFNEGOSUCF-UIBIWLFHSA-N 1 3 294.483 3.187 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1cccc2cnccc21 ZINC000685459774 544073001 /nfs/dbraw/zinc/07/30/01/544073001.db2.gz NSUVDVYFPAVOFI-UHFFFAOYSA-N 1 3 271.408 3.008 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000650741375 418935823 /nfs/dbraw/zinc/93/58/23/418935823.db2.gz CHLRRTFDUWFNIP-QMCVQRASSA-N 1 3 274.452 3.359 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000650741554 418936324 /nfs/dbraw/zinc/93/63/24/418936324.db2.gz GHRLAAZTTYWSMS-ZOCIIQOWSA-N 1 3 295.430 3.364 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000658328007 418936871 /nfs/dbraw/zinc/93/68/71/418936871.db2.gz HPSZSDOFPJVMOP-KRWDZBQOSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](NCCC[N@H+](CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237303 418940501 /nfs/dbraw/zinc/94/05/01/418940501.db2.gz KQWUTJWKLDMVDE-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@@H](NCCC[N@@H+](CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237303 418940503 /nfs/dbraw/zinc/94/05/03/418940503.db2.gz KQWUTJWKLDMVDE-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@@H]([NH2+]CCCN(CC)C1CCCCC1)[C@@H]1CCOC1 ZINC000652237303 418940506 /nfs/dbraw/zinc/94/05/06/418940506.db2.gz KQWUTJWKLDMVDE-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000652306792 418950853 /nfs/dbraw/zinc/95/08/53/418950853.db2.gz CWNGRINUFUSHCY-KZNAEPCWSA-N 1 3 272.436 3.211 20 0 CGADHO CCc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000652306792 418950857 /nfs/dbraw/zinc/95/08/57/418950857.db2.gz CWNGRINUFUSHCY-KZNAEPCWSA-N 1 3 272.436 3.211 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000653560950 419048141 /nfs/dbraw/zinc/04/81/41/419048141.db2.gz NBJYIRNVNRROBT-OAHLLOKOSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000653560950 419048145 /nfs/dbraw/zinc/04/81/45/419048145.db2.gz NBJYIRNVNRROBT-OAHLLOKOSA-N 1 3 266.473 3.476 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC1=CCN(C)CC1)CC2 ZINC000655738967 419082992 /nfs/dbraw/zinc/08/29/92/419082992.db2.gz RSVVIIVRSSTZSM-KRWDZBQOSA-N 1 3 270.420 3.142 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)C[C@@H](C)C1 ZINC000665239217 419089292 /nfs/dbraw/zinc/08/92/92/419089292.db2.gz OBWXJGOWKSOKDY-DGADGQDISA-N 1 3 252.446 3.036 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)s1 ZINC000665249483 419092795 /nfs/dbraw/zinc/09/27/95/419092795.db2.gz RGXGFUDTDWSRLR-LLVKDONJSA-N 1 3 252.427 3.233 20 0 CGADHO CC(C)[C@H](COCc1ccccc1)NCC1([NH3+])CCCC1 ZINC000665248510 419092864 /nfs/dbraw/zinc/09/28/64/419092864.db2.gz YEQLHOHVQVXKLG-KRWDZBQOSA-N 1 3 290.451 3.089 20 0 CGADHO C[C@]1(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665266526 419096838 /nfs/dbraw/zinc/09/68/38/419096838.db2.gz DMJTXTVBDVAMMA-MCIONIFRSA-N 1 3 266.335 3.156 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000665277972 419099736 /nfs/dbraw/zinc/09/97/36/419099736.db2.gz RHLITGRMZIWGHZ-MKFDVMFOSA-N 1 3 270.420 3.054 20 0 CGADHO COc1cc(C)c([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1OC ZINC000665280770 419101532 /nfs/dbraw/zinc/10/15/32/419101532.db2.gz KUWBLFDLYAZJNJ-UKRRQHHQSA-N 1 3 294.439 3.036 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000665282048 419102992 /nfs/dbraw/zinc/10/29/92/419102992.db2.gz POANIENTCCHKAY-DJIMGWMZSA-N 1 3 275.440 3.071 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000665282048 419102994 /nfs/dbraw/zinc/10/29/94/419102994.db2.gz POANIENTCCHKAY-DJIMGWMZSA-N 1 3 275.440 3.071 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283506 419104410 /nfs/dbraw/zinc/10/44/10/419104410.db2.gz OYYQWYSJIGEQBO-YJNKEBTESA-N 1 3 264.457 3.323 20 0 CGADHO CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000660256047 419114129 /nfs/dbraw/zinc/11/41/29/419114129.db2.gz IMKIAWGQVVNQPF-YXJHDRRASA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCC1 ZINC000660256047 419114132 /nfs/dbraw/zinc/11/41/32/419114132.db2.gz IMKIAWGQVVNQPF-YXJHDRRASA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000660256047 419114136 /nfs/dbraw/zinc/11/41/36/419114136.db2.gz IMKIAWGQVVNQPF-YXJHDRRASA-N 1 3 294.483 3.044 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983487 419051302 /nfs/dbraw/zinc/05/13/02/419051302.db2.gz NOFGZDYQFIRYLX-SZMVWBNQSA-N 1 3 296.499 3.386 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H](OC)C2CCCCC2)C[C@@H]1C ZINC000659983487 419051304 /nfs/dbraw/zinc/05/13/04/419051304.db2.gz NOFGZDYQFIRYLX-SZMVWBNQSA-N 1 3 296.499 3.386 20 0 CGADHO CCC[NH+]1CCC(N(C)C[C@H](OC)C2CCCCC2)CC1 ZINC000659983990 419054727 /nfs/dbraw/zinc/05/47/27/419054727.db2.gz ZYEMPABSRPZMAU-SFHVURJKSA-N 1 3 296.499 3.388 20 0 CGADHO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000660415645 419141262 /nfs/dbraw/zinc/14/12/62/419141262.db2.gz GUVNIZWTWBDOBS-STQMWFEESA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000660415645 419141269 /nfs/dbraw/zinc/14/12/69/419141269.db2.gz GUVNIZWTWBDOBS-STQMWFEESA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000660415645 419141271 /nfs/dbraw/zinc/14/12/71/419141271.db2.gz GUVNIZWTWBDOBS-STQMWFEESA-N 1 3 262.388 3.084 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCc2ccccc21 ZINC000656198342 419148236 /nfs/dbraw/zinc/14/82/36/419148236.db2.gz OBBCUHAGOMAZJS-LZLYRXPVSA-N 1 3 272.436 3.140 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCCOC2CCCCC2)C1 ZINC000656196016 419148422 /nfs/dbraw/zinc/14/84/22/419148422.db2.gz SUBTXQLGZDVGRC-HZPDHXFCSA-N 1 3 282.472 3.366 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCc2ccccc21 ZINC000656198341 419148464 /nfs/dbraw/zinc/14/84/64/419148464.db2.gz OBBCUHAGOMAZJS-JFIYKMOQSA-N 1 3 272.436 3.140 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660655544 419176131 /nfs/dbraw/zinc/17/61/31/419176131.db2.gz NATPAMWHOKAJDF-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660655544 419176133 /nfs/dbraw/zinc/17/61/33/419176133.db2.gz NATPAMWHOKAJDF-RHSMWYFYSA-N 1 3 276.399 3.304 20 0 CGADHO CCCn1nccc1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000657311552 419248232 /nfs/dbraw/zinc/24/82/32/419248232.db2.gz NMIIEFCTGMUPAR-MRXNPFEDSA-N 1 3 292.471 3.037 20 0 CGADHO CCCn1nccc1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000657311552 419248233 /nfs/dbraw/zinc/24/82/33/419248233.db2.gz NMIIEFCTGMUPAR-MRXNPFEDSA-N 1 3 292.471 3.037 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657559696 419303935 /nfs/dbraw/zinc/30/39/35/419303935.db2.gz PYGPEVPQKNIDAM-WBAXXEDZSA-N 1 3 290.426 3.282 20 0 CGADHO Cc1cc(F)ccc1C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657559696 419303937 /nfs/dbraw/zinc/30/39/37/419303937.db2.gz PYGPEVPQKNIDAM-WBAXXEDZSA-N 1 3 290.426 3.282 20 0 CGADHO C(CN1CCC[C@H]([C@H]2CCCCO2)C1)C[NH+]1CCCCC1 ZINC000661873266 419310106 /nfs/dbraw/zinc/31/01/06/419310106.db2.gz DTBWFSXBCYJIPO-ZWKOTPCHSA-N 1 3 294.483 3.144 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000662243444 419370642 /nfs/dbraw/zinc/37/06/42/419370642.db2.gz BFZZCCKCNHNKLY-PBHICJAKSA-N 1 3 260.425 3.369 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657830306 419377619 /nfs/dbraw/zinc/37/76/19/419377619.db2.gz HROCVXSZOJLVSE-ILXRZTDVSA-N 1 3 252.446 3.131 20 0 CGADHO CO[C@H](CN(CCC[NH3+])Cc1ccccc1)C1CCCC1 ZINC000662272162 419378813 /nfs/dbraw/zinc/37/88/13/419378813.db2.gz LINUGKPJANQKAW-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@H](N)[C@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267681 419378920 /nfs/dbraw/zinc/37/89/20/419378920.db2.gz XNCUKVGTKSKRGK-IDCNUPLLSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H](N)[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267681 419378924 /nfs/dbraw/zinc/37/89/24/419378924.db2.gz XNCUKVGTKSKRGK-IDCNUPLLSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657838911 419381121 /nfs/dbraw/zinc/38/11/21/419381121.db2.gz HNDFFNGYFZXNCB-OKILXGFUSA-N 1 3 288.426 3.032 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@H]2CCCSCC2)C1 ZINC000657838628 419381224 /nfs/dbraw/zinc/38/12/24/419381224.db2.gz DIEMGJLFZMXZLR-OAGGEKHMSA-N 1 3 284.513 3.230 20 0 CGADHO Cc1cccc(C)c1[C@@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000662294872 419383881 /nfs/dbraw/zinc/38/38/81/419383881.db2.gz FWLNIPLSCCCAKK-HOTGVXAUSA-N 1 3 258.409 3.050 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3COC(C)(C)C3)CC2)C1 ZINC000658059060 419533020 /nfs/dbraw/zinc/53/30/20/419533020.db2.gz QADADYONJJHKMV-DJIMGWMZSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3COC(C)(C)C3)CC2)C1 ZINC000658059062 419533986 /nfs/dbraw/zinc/53/39/86/419533986.db2.gz QADADYONJJHKMV-OIISXLGYSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)[C@@H](CNc1nccc2[nH]ccc21)[NH+]1CCCC1 ZINC000663379270 419583567 /nfs/dbraw/zinc/58/35/67/419583567.db2.gz LVUCITZGBDLIFL-OAHLLOKOSA-N 1 3 272.396 3.095 20 0 CGADHO CCOC1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663465149 419615700 /nfs/dbraw/zinc/61/57/00/419615700.db2.gz IHTFUBNKLOYNNV-AOCRQIFASA-N 1 3 294.483 3.046 20 0 CGADHO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663465211 419616777 /nfs/dbraw/zinc/61/67/77/419616777.db2.gz IQCIYYKLEUQKKO-YESZJQIVSA-N 1 3 282.447 3.226 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466792 419622119 /nfs/dbraw/zinc/62/21/19/419622119.db2.gz AFWJYQKMYLASEY-GOEBONIOSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)c1ccccc1 ZINC000663470171 419624095 /nfs/dbraw/zinc/62/40/95/419624095.db2.gz SQVJZWCAMZHCOQ-NVXWUHKLSA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658179083 419645798 /nfs/dbraw/zinc/64/57/98/419645798.db2.gz DXEIDGJUUCHUPE-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658179083 419645800 /nfs/dbraw/zinc/64/58/00/419645800.db2.gz DXEIDGJUUCHUPE-BPQIPLTHSA-N 1 3 296.499 3.026 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000390596930 262224583 /nfs/dbraw/zinc/22/45/83/262224583.db2.gz SXPAHMWAAIFXTD-CYBMUJFWSA-N 1 3 295.377 3.075 20 0 CGADHO CC(C)=CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000188458801 262297382 /nfs/dbraw/zinc/29/73/82/262297382.db2.gz ZWVHYWIIDFAMNW-HNNXBMFYSA-N 1 3 276.424 3.244 20 0 CGADHO COCCCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103228984 270045575 /nfs/dbraw/zinc/04/55/75/270045575.db2.gz SKDIKXTXTFJRPU-SFHVURJKSA-N 1 3 296.499 3.391 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000521627157 270102692 /nfs/dbraw/zinc/10/26/92/270102692.db2.gz ZGZLCWFEDKXBIJ-VXGBXAGGSA-N 1 3 254.805 3.172 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1CC12CC2 ZINC000527844092 270139176 /nfs/dbraw/zinc/13/91/76/270139176.db2.gz FLZPRKWWGLQFPC-YPMHNXCESA-N 1 3 250.430 3.074 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@@H]1CC12CC2 ZINC000527844184 270139329 /nfs/dbraw/zinc/13/93/29/270139329.db2.gz GPLOOLJNMBQZON-KKUMJFAQSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527921233 270144043 /nfs/dbraw/zinc/14/40/43/270144043.db2.gz QNSZCTMHGQXQFW-CRAIPNDOSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527921233 270144044 /nfs/dbraw/zinc/14/40/44/270144044.db2.gz QNSZCTMHGQXQFW-CRAIPNDOSA-N 1 3 274.452 3.457 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CCNC34CCC4)C2)cc1 ZINC000530214859 270195597 /nfs/dbraw/zinc/19/55/97/270195597.db2.gz DGOJVTHSECGBQF-BZSNNMDCSA-N 1 3 284.447 3.272 20 0 CGADHO C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CCCCC12CCCC2 ZINC000530216478 270195935 /nfs/dbraw/zinc/19/59/35/270195935.db2.gz PJQYEJAWPRKWPR-GJZGRUSLSA-N 1 3 262.441 3.364 20 0 CGADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@H]1CCCCC12CCCC2 ZINC000530216478 270195936 /nfs/dbraw/zinc/19/59/36/270195936.db2.gz PJQYEJAWPRKWPR-GJZGRUSLSA-N 1 3 262.441 3.364 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000532522058 270217029 /nfs/dbraw/zinc/21/70/29/270217029.db2.gz SNAAARZTFHUOCA-ZBFHGGJFSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000532521820 270217039 /nfs/dbraw/zinc/21/70/39/270217039.db2.gz UIZPBILLNXNOHC-GDBMZVCRSA-N 1 3 284.513 3.372 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072643 270221276 /nfs/dbraw/zinc/22/12/76/270221276.db2.gz RVKUXSLLSBVMPS-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072643 270221277 /nfs/dbraw/zinc/22/12/77/270221277.db2.gz RVKUXSLLSBVMPS-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO C[C@@H](CCc1ccccc1)C[NH2+]C[C@H](C)CN(C)C ZINC000491543650 274211106 /nfs/dbraw/zinc/21/11/06/274211106.db2.gz GWUSZJAXLSZUER-HOTGVXAUSA-N 1 3 262.441 3.043 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2ccc(Br)cc21 ZINC000423306837 274214120 /nfs/dbraw/zinc/21/41/20/274214120.db2.gz MCBIOHDUPBMOPL-IINYFYTJSA-N 1 3 297.240 3.011 20 0 CGADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422752274 275394229 /nfs/dbraw/zinc/39/42/29/275394229.db2.gz CMHSUEALWVBQAX-KZNAEPCWSA-N 1 3 294.483 3.236 20 0 CGADHO CC[NH+]1CCC(N[C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000271706319 276152150 /nfs/dbraw/zinc/15/21/50/276152150.db2.gz NMSHYAARQVGOAQ-DYVFJYSZSA-N 1 3 258.409 3.309 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1cscn1 ZINC000450759295 276334227 /nfs/dbraw/zinc/33/42/27/276334227.db2.gz OYMKDJCMVKUHFJ-ZBFHGGJFSA-N 1 3 295.496 3.176 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000354205103 276588504 /nfs/dbraw/zinc/58/85/04/276588504.db2.gz GAOKEMQNSPZAIE-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423206438 277268663 /nfs/dbraw/zinc/26/86/63/277268663.db2.gz WXWXNGKLSGXWHI-ZBFHGGJFSA-N 1 3 280.843 3.250 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000430598298 277275704 /nfs/dbraw/zinc/27/57/04/277275704.db2.gz CGYUOYNTQBSCSZ-PMPSAXMXSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)CS1 ZINC000334881863 278025267 /nfs/dbraw/zinc/02/52/67/278025267.db2.gz ZCQYKUKYJNQBGR-HIFRSBDPSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CS1 ZINC000334881863 278025269 /nfs/dbraw/zinc/02/52/69/278025269.db2.gz ZCQYKUKYJNQBGR-HIFRSBDPSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414826005 278175944 /nfs/dbraw/zinc/17/59/44/278175944.db2.gz UYJMNLRZONAEBF-YCPHGPKFSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)CC(F)(F)F ZINC000396951564 288018918 /nfs/dbraw/zinc/01/89/18/288018918.db2.gz QNHDSCVRLHLILU-RFQIPJPRSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)CC(F)(F)F ZINC000396951566 288018983 /nfs/dbraw/zinc/01/89/83/288018983.db2.gz QNHDSCVRLHLILU-XDQVBPFNSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCOC1 ZINC000358645802 278336353 /nfs/dbraw/zinc/33/63/53/278336353.db2.gz COKKQDMSQLQBCV-CBZIJGRNSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000423331484 278339796 /nfs/dbraw/zinc/33/97/96/278339796.db2.gz OMSKGARBTDUENB-GFCCVEGCSA-N 1 3 293.480 3.062 20 0 CGADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1 ZINC000245549995 278343917 /nfs/dbraw/zinc/34/39/17/278343917.db2.gz ZZSFAQZFMDMBNY-BRWVUGGUSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423256710 278348216 /nfs/dbraw/zinc/34/82/16/278348216.db2.gz FUOGVUUNEQUPAI-OLZOCXBDSA-N 1 3 293.480 3.062 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422819041 278561966 /nfs/dbraw/zinc/56/19/66/278561966.db2.gz MCRNMDMAONEAEI-RQJABVFESA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)CC(CC(C)C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000422945686 278733854 /nfs/dbraw/zinc/73/38/54/278733854.db2.gz NRKOBJZKCCZXPW-GJZGRUSLSA-N 1 3 254.462 3.425 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459385172 288086826 /nfs/dbraw/zinc/08/68/26/288086826.db2.gz FZGNGUICQRTAJZ-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450458071 279124846 /nfs/dbraw/zinc/12/48/46/279124846.db2.gz HJDASEPYLFRRAT-CGZBRXJRSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450458071 279124849 /nfs/dbraw/zinc/12/48/49/279124849.db2.gz HJDASEPYLFRRAT-CGZBRXJRSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)C[C@H](C[NH+]1CCC(N)CC1)c1ccccc1 ZINC000339415826 279142861 /nfs/dbraw/zinc/14/28/61/279142861.db2.gz VKKUYEQMHRKMOS-MRXNPFEDSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300420732 279354926 /nfs/dbraw/zinc/35/49/26/279354926.db2.gz RTRBEQAHMHFMDQ-STQMWFEESA-N 1 3 280.378 3.427 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CCCCC1 ZINC000474822219 279507277 /nfs/dbraw/zinc/50/72/77/279507277.db2.gz OQUFCEFAOLWGAZ-NUEKZKHPSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@H](C)O1 ZINC000512278716 288160956 /nfs/dbraw/zinc/16/09/56/288160956.db2.gz KLIOIHYBUAHFFH-OBVSXPTNSA-N 1 3 296.499 3.290 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527670769 288187659 /nfs/dbraw/zinc/18/76/59/288187659.db2.gz QMIMSPHUVUMEGM-CVEARBPZSA-N 1 3 271.408 3.130 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccc1 ZINC000414931117 280254840 /nfs/dbraw/zinc/25/48/40/280254840.db2.gz UCDXQHRXPRYNTN-ZACQAIPSSA-N 1 3 260.425 3.286 20 0 CGADHO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H](C)[C@H](C)N)CC2 ZINC000423459673 280309181 /nfs/dbraw/zinc/30/91/81/280309181.db2.gz IGEJQFAUVOKBMU-OPQQBVKSSA-N 1 3 297.240 3.070 20 0 CGADHO Cc1cc2c(cc1C)[C@@H](NC[C@H](C)C[NH3+])CCS2 ZINC000423310551 280677067 /nfs/dbraw/zinc/67/70/67/280677067.db2.gz RZSZPXBHMNRCEW-YGRLFVJLSA-N 1 3 264.438 3.025 20 0 CGADHO COCCC1CCN([C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000530207232 288299780 /nfs/dbraw/zinc/29/97/80/288299780.db2.gz CLKVKGHYSBIIKV-RDJZCZTQSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCCC1(C)C ZINC000530209378 288300031 /nfs/dbraw/zinc/30/00/31/288300031.db2.gz JESWFFQSEFLPJA-ILXRZTDVSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)CCC2 ZINC000423395911 281124075 /nfs/dbraw/zinc/12/40/75/281124075.db2.gz TUDIJSUMQCWTIQ-YSVLISHTSA-N 1 3 258.409 3.103 20 0 CGADHO CC1(C)CC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423474937 281138225 /nfs/dbraw/zinc/13/82/25/281138225.db2.gz PHVYIGFYFGSGFH-USXIJHARSA-N 1 3 290.426 3.297 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530177863 288295432 /nfs/dbraw/zinc/29/54/32/288295432.db2.gz JABHLMIYPJZFOW-MCIONIFRSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530177863 288295434 /nfs/dbraw/zinc/29/54/34/288295434.db2.gz JABHLMIYPJZFOW-MCIONIFRSA-N 1 3 250.430 3.075 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000533531843 288385381 /nfs/dbraw/zinc/38/53/81/288385381.db2.gz KNSDOMKRHLSFES-MAUKXSAKSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000533531843 288385383 /nfs/dbraw/zinc/38/53/83/288385383.db2.gz KNSDOMKRHLSFES-MAUKXSAKSA-N 1 3 274.452 3.411 20 0 CGADHO CCc1nc2c(s1)[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000331867547 288631461 /nfs/dbraw/zinc/63/14/61/288631461.db2.gz ZTSCBPLOGSXWLK-FRRDWIJNSA-N 1 3 293.480 3.190 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCCCC3)CCN1 ZINC000423389445 288768431 /nfs/dbraw/zinc/76/84/31/288768431.db2.gz VAKZFNYCTOQSLS-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]1CC(CC[NH2+]C2CCN(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000549226567 289038262 /nfs/dbraw/zinc/03/82/62/289038262.db2.gz JTSBFSFLCHLVKK-HUUCEWRRSA-N 1 3 296.499 3.433 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000552239462 289174222 /nfs/dbraw/zinc/17/42/22/289174222.db2.gz MQPYYNOYHAKKQZ-IAGOWNOFSA-N 1 3 260.425 3.272 20 0 CGADHO CC(C)CN1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000553261644 289216063 /nfs/dbraw/zinc/21/60/63/289216063.db2.gz MJCXJJSUWZFBLQ-UHFFFAOYSA-N 1 3 286.463 3.111 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000554113193 289260280 /nfs/dbraw/zinc/26/02/80/289260280.db2.gz QWUFDXDSZPYYEE-UNQWWWNPSA-N 1 3 276.468 3.418 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453145540 289309717 /nfs/dbraw/zinc/30/97/17/289309717.db2.gz WSPWFRZFOKHVGN-XHSDSOJGSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(Cl)cc1 ZINC000424298468 290005845 /nfs/dbraw/zinc/00/58/45/290005845.db2.gz DGCOYGQEUIATDK-ZLKJLUDKSA-N 1 3 252.789 3.261 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000159973996 290012608 /nfs/dbraw/zinc/01/26/08/290012608.db2.gz SLHHBHWFODUDOV-VHRBIJSZSA-N 1 3 252.789 3.118 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086252 290053466 /nfs/dbraw/zinc/05/34/66/290053466.db2.gz BLCADQFLKGAPSW-XAJHFOFHSA-N 1 3 264.457 3.418 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437782843 295231756 /nfs/dbraw/zinc/23/17/56/295231756.db2.gz ZJZGUTMWMHPJHT-KGLIPLIRSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2)CCCCC1 ZINC000422756283 295307222 /nfs/dbraw/zinc/30/72/22/295307222.db2.gz HQCLEJAYXRUWEA-SJORKVTESA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000423398150 295313730 /nfs/dbraw/zinc/31/37/30/295313730.db2.gz UAZOZHIVGAEOEN-IPYPFGDCSA-N 1 3 264.800 3.187 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422895970 301290900 /nfs/dbraw/zinc/29/09/00/301290900.db2.gz GYPIYEVPSAQTJN-UKRRQHHQSA-N 1 3 296.842 3.134 20 0 CGADHO Cc1cccc([C@H](C)C[NH2+][C@@H]2CCNCC[C@@H]2C)c1 ZINC000422777114 302029583 /nfs/dbraw/zinc/02/95/83/302029583.db2.gz FGAVPFPJACTXEZ-ZMSDIMECSA-N 1 3 260.425 3.076 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130196447 302101992 /nfs/dbraw/zinc/10/19/92/302101992.db2.gz HXMLXLXGTLRYRP-CGTJXYLNSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130196447 302101993 /nfs/dbraw/zinc/10/19/93/302101993.db2.gz HXMLXLXGTLRYRP-CGTJXYLNSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346852723 302150009 /nfs/dbraw/zinc/15/00/09/302150009.db2.gz XGBZPWUQSCQDKO-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346852723 302150013 /nfs/dbraw/zinc/15/00/13/302150013.db2.gz XGBZPWUQSCQDKO-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccncc1[C@@H](C)[NH2+]CC1(CN(C)C)CCCC1 ZINC000274118257 302294365 /nfs/dbraw/zinc/29/43/65/302294365.db2.gz AFUPZRZMEVHDDF-OAHLLOKOSA-N 1 3 275.440 3.163 20 0 CGADHO Clc1cccc2c1CC[C@@H]2N1CCC2(CC[NH2+]C2)CC1 ZINC000420336388 302887852 /nfs/dbraw/zinc/88/78/52/302887852.db2.gz MFXWRJQERSRDGO-INIZCTEOSA-N 1 3 290.838 3.403 20 0 CGADHO Fc1ccc(CN(CC2CC2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346996287 303129898 /nfs/dbraw/zinc/12/98/98/303129898.db2.gz WJZKYZOPLPXBOV-MRXNPFEDSA-N 1 3 276.399 3.037 20 0 CGADHO Fc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCCNC2)cc1 ZINC000346996287 303129902 /nfs/dbraw/zinc/12/99/02/303129902.db2.gz WJZKYZOPLPXBOV-MRXNPFEDSA-N 1 3 276.399 3.037 20 0 CGADHO Fc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CCCNC2)cc1 ZINC000346996287 303129905 /nfs/dbraw/zinc/12/99/05/303129905.db2.gz WJZKYZOPLPXBOV-MRXNPFEDSA-N 1 3 276.399 3.037 20 0 CGADHO CCC[C@@H](NCCC1CC[NH+](C)CC1)c1ccccn1 ZINC000159013693 321827504 /nfs/dbraw/zinc/82/75/04/321827504.db2.gz OTNIIYIRRZDKAB-MRXNPFEDSA-N 1 3 275.440 3.244 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000565950919 322097910 /nfs/dbraw/zinc/09/79/10/322097910.db2.gz MUSXJFHMKGWJJB-ZWKOTPCHSA-N 1 3 274.452 3.248 20 0 CGADHO CC(C)[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC1 ZINC000566831320 322139689 /nfs/dbraw/zinc/13/96/89/322139689.db2.gz YWNMKWVOTXVTBI-HNNXBMFYSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c(C)c1 ZINC000567026492 322147215 /nfs/dbraw/zinc/14/72/15/322147215.db2.gz FMURCHYCFBQVKR-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c(C)c1 ZINC000567026492 322147218 /nfs/dbraw/zinc/14/72/18/322147218.db2.gz FMURCHYCFBQVKR-ROUUACIJSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000567198845 322153925 /nfs/dbraw/zinc/15/39/25/322153925.db2.gz FQHBMUDXOFFDNG-ZACQAIPSSA-N 1 3 264.457 3.230 20 0 CGADHO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000567639142 322171793 /nfs/dbraw/zinc/17/17/93/322171793.db2.gz YJIXEFLHYCTISR-UONOGXRCSA-N 1 3 264.413 3.028 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCNC1 ZINC000567723931 322174969 /nfs/dbraw/zinc/17/49/69/322174969.db2.gz CKWHNAPHCMQPPD-XJFOESAGSA-N 1 3 292.389 3.333 20 0 CGADHO [NH3+]CCC1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000568057051 322190043 /nfs/dbraw/zinc/19/00/43/322190043.db2.gz MRCHGFAYNUOCCL-UHFFFAOYSA-N 1 3 298.883 3.493 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)c1 ZINC000568248535 322200571 /nfs/dbraw/zinc/20/05/71/322200571.db2.gz UFTSHRLFTWFPIZ-BHYGNILZSA-N 1 3 260.425 3.094 20 0 CGADHO CCCN(Cc1ccc(C)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000569486203 322248691 /nfs/dbraw/zinc/24/86/91/322248691.db2.gz RMMOFZHRHXZTTQ-KRWDZBQOSA-N 1 3 260.425 3.207 20 0 CGADHO Cc1ccc2nccc(N[C@@H](C)C[N@H+](C)C(C)C)c2c1 ZINC000569866655 322259214 /nfs/dbraw/zinc/25/92/14/322259214.db2.gz SOFUTJIUEZGDJA-AWEZNQCLSA-N 1 3 271.408 3.106 20 0 CGADHO Cc1ccc2nccc(N[C@@H](C)C[N@@H+](C)C(C)C)c2c1 ZINC000569866655 322259215 /nfs/dbraw/zinc/25/92/15/322259215.db2.gz SOFUTJIUEZGDJA-AWEZNQCLSA-N 1 3 271.408 3.106 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000569872946 322259438 /nfs/dbraw/zinc/25/94/38/322259438.db2.gz IGFMFVUEFVEKQY-QAPCUYQASA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@]1(C)CCCO1 ZINC000569872946 322259440 /nfs/dbraw/zinc/25/94/40/322259440.db2.gz IGFMFVUEFVEKQY-QAPCUYQASA-N 1 3 294.483 3.331 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000570409996 322273037 /nfs/dbraw/zinc/27/30/37/322273037.db2.gz NAHQNPLAECUQCT-UGUYLWEFSA-N 1 3 294.826 3.030 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3sccc3c2)C1 ZINC000570582583 322277281 /nfs/dbraw/zinc/27/72/81/322277281.db2.gz AYGNTFGRLMYTOF-UONOGXRCSA-N 1 3 260.406 3.261 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2c(C)nsc2C)CC1 ZINC000570981587 322287058 /nfs/dbraw/zinc/28/70/58/322287058.db2.gz RIOVSMDXGUWXRI-UHFFFAOYSA-N 1 3 295.496 3.314 20 0 CGADHO [NH3+]CCC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000571332915 322296122 /nfs/dbraw/zinc/29/61/22/322296122.db2.gz ZWJVUFJLSQGFHH-OWOJBTEDSA-N 1 3 280.362 3.039 20 0 CGADHO COCCC(C)(C)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000572328803 322331881 /nfs/dbraw/zinc/33/18/81/322331881.db2.gz KEILBEXWCSVTQM-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H](N)C3)CC2)c(C)c1 ZINC000573505780 322391657 /nfs/dbraw/zinc/39/16/57/322391657.db2.gz MCPPMJGZEOEFMD-HZPDHXFCSA-N 1 3 272.436 3.195 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c(C)c1 ZINC000573505780 322391658 /nfs/dbraw/zinc/39/16/58/322391658.db2.gz MCPPMJGZEOEFMD-HZPDHXFCSA-N 1 3 272.436 3.195 20 0 CGADHO CSc1ccccc1C[C@@H](C)NCCC[NH2+]C(C)C ZINC000582779448 329184905 /nfs/dbraw/zinc/18/49/05/329184905.db2.gz AWRPXYCWFMBBIS-CQSZACIVSA-N 1 3 280.481 3.317 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000582846404 329276370 /nfs/dbraw/zinc/27/63/70/329276370.db2.gz KNDMGQFJGWWENU-SFHVURJKSA-N 1 3 281.403 3.171 20 0 CGADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000578787170 335675503 /nfs/dbraw/zinc/67/55/03/335675503.db2.gz FLFYQTJYDHWGRT-LSDHHAIUSA-N 1 3 296.842 3.141 20 0 CGADHO Cc1cccc(CNCc2ccc(C[NH3+])cc2)c1C ZINC000578987346 335696037 /nfs/dbraw/zinc/69/60/37/335696037.db2.gz DFOWEQKZRFZSSB-UHFFFAOYSA-N 1 3 254.377 3.052 20 0 CGADHO C[C@H](CC[NH2+]C[C@H]1CC=CCC1)N1CCCCC1 ZINC000184341305 335923892 /nfs/dbraw/zinc/92/38/92/335923892.db2.gz IJFDLQXXPOBHBN-CVEARBPZSA-N 1 3 250.430 3.197 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000382168355 336083436 /nfs/dbraw/zinc/08/34/36/336083436.db2.gz VTNQRWGYVIDMTH-YUTCNCBUSA-N 1 3 252.427 3.272 20 0 CGADHO CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000382168355 336083438 /nfs/dbraw/zinc/08/34/38/336083438.db2.gz VTNQRWGYVIDMTH-YUTCNCBUSA-N 1 3 252.427 3.272 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581607940 336111540 /nfs/dbraw/zinc/11/15/40/336111540.db2.gz CXBLEMIKNZSTOT-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@]3(C2)CCCNC3)c1 ZINC000581607940 336111541 /nfs/dbraw/zinc/11/15/41/336111541.db2.gz CXBLEMIKNZSTOT-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@]3(C2)CCCNC3)c1 ZINC000581607940 336111542 /nfs/dbraw/zinc/11/15/42/336111542.db2.gz CXBLEMIKNZSTOT-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000581634823 336115400 /nfs/dbraw/zinc/11/54/00/336115400.db2.gz GXCYJZFVEPVVHI-WBVHZDCISA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000581634823 336115402 /nfs/dbraw/zinc/11/54/02/336115402.db2.gz GXCYJZFVEPVVHI-WBVHZDCISA-N 1 3 266.473 3.332 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000383646370 336116079 /nfs/dbraw/zinc/11/60/79/336116079.db2.gz MXZHKAYPKPPLKT-SJKOYZFVSA-N 1 3 272.392 3.158 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000383646370 336116080 /nfs/dbraw/zinc/11/60/80/336116080.db2.gz MXZHKAYPKPPLKT-SJKOYZFVSA-N 1 3 272.392 3.158 20 0 CGADHO Cc1oc2ccccc2c1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383646370 336116081 /nfs/dbraw/zinc/11/60/81/336116081.db2.gz MXZHKAYPKPPLKT-SJKOYZFVSA-N 1 3 272.392 3.158 20 0 CGADHO CC/C=C\CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000384897115 336133927 /nfs/dbraw/zinc/13/39/27/336133927.db2.gz VNKXWPNZURBZRG-CLTKARDFSA-N 1 3 272.436 3.249 20 0 CGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000423518932 533833775 /nfs/dbraw/zinc/83/37/75/533833775.db2.gz CTLDDWUVIKEWLT-SSAIOAENSA-N 1 3 284.447 3.491 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423270162 533981553 /nfs/dbraw/zinc/98/15/53/533981553.db2.gz GFPVDIYVQIGZPD-SUYBPPKGSA-N 1 3 296.405 3.393 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423270157 533982118 /nfs/dbraw/zinc/98/21/18/533982118.db2.gz GFPVDIYVQIGZPD-HACGYAERSA-N 1 3 296.405 3.393 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423394561 533982877 /nfs/dbraw/zinc/98/28/77/533982877.db2.gz ZXWIWQZQJYRYDD-LALPHHSUSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423394561 533982882 /nfs/dbraw/zinc/98/28/82/533982882.db2.gz ZXWIWQZQJYRYDD-LALPHHSUSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423209386 533982952 /nfs/dbraw/zinc/98/29/52/533982952.db2.gz FDGSVGJDMJFJRQ-IPYPFGDCSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCOc1ccc2ccccc2c1 ZINC000442797279 534081602 /nfs/dbraw/zinc/08/16/02/534081602.db2.gz WNUWEDBNSLBGJW-HOTGVXAUSA-N 1 3 298.430 3.278 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000037643951 521257413 /nfs/dbraw/zinc/25/74/13/521257413.db2.gz MZSKRTNPBCLFFI-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000037643952 521258953 /nfs/dbraw/zinc/25/89/53/521258953.db2.gz MZSKRTNPBCLFFI-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC000037643721 521717202 /nfs/dbraw/zinc/71/72/02/521717202.db2.gz NWYJPZMOWAIZCX-MRXNPFEDSA-N 1 3 268.404 3.271 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423543937 534652295 /nfs/dbraw/zinc/65/22/95/534652295.db2.gz CMSGGRGEFNBUPR-KRWDZBQOSA-N 1 3 292.854 3.393 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423543938 534651742 /nfs/dbraw/zinc/65/17/42/534651742.db2.gz CMSGGRGEFNBUPR-QGZVFWFLSA-N 1 3 292.854 3.393 20 0 CGADHO Cc1cc(F)ccc1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157469887 524972569 /nfs/dbraw/zinc/97/25/69/524972569.db2.gz FFPUWKRVWMHHGD-QZTJIDSGSA-N 1 3 284.378 3.411 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000089214813 525325037 /nfs/dbraw/zinc/32/50/37/525325037.db2.gz KXCAXQDFASTYQY-AWEZNQCLSA-N 1 3 273.424 3.076 20 0 CGADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H](C)CN ZINC000423335643 534864087 /nfs/dbraw/zinc/86/40/87/534864087.db2.gz UBHBFDQTLQSSPK-ZJUUUORDSA-N 1 3 293.411 3.255 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423383654 526673544 /nfs/dbraw/zinc/67/35/44/526673544.db2.gz KNHFEHFLNJIQJQ-CVEARBPZSA-N 1 3 258.409 3.204 20 0 CGADHO C(CC1CCOCC1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000368635570 527477355 /nfs/dbraw/zinc/47/73/55/527477355.db2.gz ZJFSLDSYDLWISD-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC1CCOCC1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000368635570 527477356 /nfs/dbraw/zinc/47/73/56/527477356.db2.gz ZJFSLDSYDLWISD-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC1CCOCC1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000368635570 527477358 /nfs/dbraw/zinc/47/73/58/527477358.db2.gz ZJFSLDSYDLWISD-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000437606880 527479746 /nfs/dbraw/zinc/47/97/46/527479746.db2.gz VREFKVZKSZFIMV-QZTJIDSGSA-N 1 3 294.483 3.001 20 0 CGADHO CC(C)C1CC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C1 ZINC000423527387 527626342 /nfs/dbraw/zinc/62/63/42/527626342.db2.gz MGHWRQWEPIXMTH-UHFFFAOYSA-N 1 3 276.468 3.164 20 0 CGADHO CC(C)C1CC(NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423527387 527626347 /nfs/dbraw/zinc/62/63/47/527626347.db2.gz MGHWRQWEPIXMTH-UHFFFAOYSA-N 1 3 276.468 3.164 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(O)CCC2)CC1 ZINC000449147354 527647009 /nfs/dbraw/zinc/64/70/09/527647009.db2.gz GHKNIADTTMXBDZ-UHFFFAOYSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423373699 527810648 /nfs/dbraw/zinc/81/06/48/527810648.db2.gz JJMJCIYFMNVXAX-IBEHDNSVSA-N 1 3 252.446 3.177 20 0 CGADHO CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423265336 528163575 /nfs/dbraw/zinc/16/35/75/528163575.db2.gz CVOZRFUJOCJDBE-PBHICJAKSA-N 1 3 278.440 3.355 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000432789543 528171886 /nfs/dbraw/zinc/17/18/86/528171886.db2.gz STWMLTSHRAFRSR-ROUUACIJSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1Cl ZINC000423299583 528203520 /nfs/dbraw/zinc/20/35/20/528203520.db2.gz BYGGXWMGYMHLLN-NWDGAFQWSA-N 1 3 284.831 3.373 20 0 CGADHO CCC[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccn1 ZINC000356797113 528217739 /nfs/dbraw/zinc/21/77/39/528217739.db2.gz ZWZFRMMKOOCNMV-HNNXBMFYSA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)c1nc([C@@H](C)NCCC2=CC[NH2+]CC2)cs1 ZINC000423540869 528302128 /nfs/dbraw/zinc/30/21/28/528302128.db2.gz QYVUDSAKTFQZED-GFCCVEGCSA-N 1 3 279.453 3.227 20 0 CGADHO CCN[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423386971 528420947 /nfs/dbraw/zinc/42/09/47/528420947.db2.gz SFTKEZFLVREWRE-AGIUHOORSA-N 1 3 291.464 3.376 20 0 CGADHO CC(F)(F)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000449353507 528730704 /nfs/dbraw/zinc/73/07/04/528730704.db2.gz CIBFJBXYEVESCV-UHFFFAOYSA-N 1 3 274.399 3.418 20 0 CGADHO CCCC[C@H](C[NH3+])N[C@@H](C)Cc1coc2ccccc12 ZINC000423302896 528954236 /nfs/dbraw/zinc/95/42/36/528954236.db2.gz WFNIOQMUIWYEMA-DZGCQCFKSA-N 1 3 274.408 3.471 20 0 CGADHO CCC[C@@H]([NH2+]CCCNC1CC1)c1ccc(OC)cc1 ZINC000423522865 529006788 /nfs/dbraw/zinc/00/67/88/529006788.db2.gz HUTLYXJODXWVAR-QGZVFWFLSA-N 1 3 276.424 3.268 20 0 CGADHO CCC[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccnc1 ZINC000423375732 529013658 /nfs/dbraw/zinc/01/36/58/529013658.db2.gz IULGWXBMCFVFGS-GOSISDBHSA-N 1 3 281.403 3.316 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423262984 529071208 /nfs/dbraw/zinc/07/12/08/529071208.db2.gz ADGKJWXCBCPUSK-DGCLKSJQSA-N 1 3 266.454 3.261 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)C1CCC1 ZINC000449132527 529179521 /nfs/dbraw/zinc/17/95/21/529179521.db2.gz UWBQNCPROPBPSC-GDBMZVCRSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)[C@H]1CCCCN1 ZINC000423411639 529186039 /nfs/dbraw/zinc/18/60/39/529186039.db2.gz GCUVIZJQBSBHSW-SJLPKXTDSA-N 1 3 287.451 3.055 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000414861785 529313304 /nfs/dbraw/zinc/31/33/04/529313304.db2.gz WTZBOMKQEBJCHX-WCVJEAGWSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)[NH+]1CCC(N(C)CCCOc2ccccc2)CC1 ZINC000263739859 535153276 /nfs/dbraw/zinc/15/32/76/535153276.db2.gz REXCZVPDQQCMQU-UHFFFAOYSA-N 1 3 290.451 3.260 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCOC ZINC000484309365 535580733 /nfs/dbraw/zinc/58/07/33/535580733.db2.gz OAKIWHGSHDOJRR-IXDOHACOSA-N 1 3 284.488 3.292 20 0 CGADHO CC[C@@H](C[C@H](C)CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000512986140 535770227 /nfs/dbraw/zinc/77/02/27/535770227.db2.gz GYSFZVDEUBJKOC-HOTGVXAUSA-N 1 3 296.499 3.170 20 0 CGADHO CN(C[C@@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450983618 536421827 /nfs/dbraw/zinc/42/18/27/536421827.db2.gz RQAAESCSDQZPQS-RDGKXADDSA-N 1 3 286.410 3.369 20 0 CGADHO CN(C[C@@H]1CCCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450983618 536421829 /nfs/dbraw/zinc/42/18/29/536421829.db2.gz RQAAESCSDQZPQS-RDGKXADDSA-N 1 3 286.410 3.369 20 0 CGADHO COCC[N@H+](C)CCCNCc1ccc(C2CCC2)cc1 ZINC000339183892 536797645 /nfs/dbraw/zinc/79/76/45/536797645.db2.gz WSBANSWJKZSZKC-UHFFFAOYSA-N 1 3 290.451 3.012 20 0 CGADHO COCC[N@@H+](C)CCCNCc1ccc(C2CCC2)cc1 ZINC000339183892 536797650 /nfs/dbraw/zinc/79/76/50/536797650.db2.gz WSBANSWJKZSZKC-UHFFFAOYSA-N 1 3 290.451 3.012 20 0 CGADHO CC(C)Oc1cccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222940342 571890687 /nfs/dbraw/zinc/89/06/87/571890687.db2.gz NKYQXIJQBRBKMX-NUEKZKHPSA-N 1 3 276.424 3.394 20 0 CGADHO C[C@@H](CC[NH2+][C@H]1CCNCC1(C)C)c1ccccc1 ZINC000311889010 572350071 /nfs/dbraw/zinc/35/00/71/572350071.db2.gz VZRKOYUOMIQMFB-HOCLYGCPSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](CCN[C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000311889010 572350076 /nfs/dbraw/zinc/35/00/76/572350076.db2.gz VZRKOYUOMIQMFB-HOCLYGCPSA-N 1 3 260.425 3.158 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000222931478 572361677 /nfs/dbraw/zinc/36/16/77/572361677.db2.gz WMPOLWNSZSKILJ-ZOBUZTSGSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000222931478 572361679 /nfs/dbraw/zinc/36/16/79/572361679.db2.gz WMPOLWNSZSKILJ-ZOBUZTSGSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000733794433 572603127 /nfs/dbraw/zinc/60/31/27/572603127.db2.gz DFSPFBPIDLAWTP-CVEARBPZSA-N 1 3 282.548 3.450 20 0 CGADHO C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000733794433 572603129 /nfs/dbraw/zinc/60/31/29/572603129.db2.gz DFSPFBPIDLAWTP-CVEARBPZSA-N 1 3 282.548 3.450 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1C ZINC000933485511 618237078 /nfs/dbraw/zinc/23/70/78/618237078.db2.gz GJYUIZCRICTYOG-ZBFHGGJFSA-N 1 3 276.424 3.139 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc2c(c1)CCO2 ZINC000178304161 618271159 /nfs/dbraw/zinc/27/11/59/618271159.db2.gz LNUICYSATOICBU-XKQJLSEDSA-N 1 3 288.435 3.145 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCc2cccs2)CC1 ZINC000924552303 618822427 /nfs/dbraw/zinc/82/24/27/618822427.db2.gz JEMFXIHERNFXSH-UHFFFAOYSA-N 1 3 280.481 3.391 20 0 CGADHO [NH3+]C[C@H](Nc1ccnc2ccccc21)C1CCCC1 ZINC000236234618 618849134 /nfs/dbraw/zinc/84/91/34/618849134.db2.gz LGDWGIRGRILZTL-INIZCTEOSA-N 1 3 255.365 3.164 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H](O)C2CCCC2)CC1 ZINC000926816502 618908930 /nfs/dbraw/zinc/90/89/30/618908930.db2.gz NFAVQVOMLGAZHB-SFHVURJKSA-N 1 3 296.499 3.028 20 0 CGADHO c1csc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925509639 619004376 /nfs/dbraw/zinc/00/43/76/619004376.db2.gz NJDCALQYBSJAGP-HOTGVXAUSA-N 1 3 278.465 3.049 20 0 CGADHO CC1(C)[C@@H](NC2CC(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925606837 619084015 /nfs/dbraw/zinc/08/40/15/619084015.db2.gz YGUGZRJMHVZASB-QEXNXIHPSA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000925606837 619084017 /nfs/dbraw/zinc/08/40/17/619084017.db2.gz YGUGZRJMHVZASB-QEXNXIHPSA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc3ncccc3c2)C1 ZINC000925664266 619118633 /nfs/dbraw/zinc/11/86/33/619118633.db2.gz XLBIDFHFXHRNAQ-JKSUJKDBSA-N 1 3 283.419 3.230 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925777441 619240196 /nfs/dbraw/zinc/24/01/96/619240196.db2.gz DOXJEKKUQXZRKS-ZYHUDNBSSA-N 1 3 288.769 3.235 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894189801 619408659 /nfs/dbraw/zinc/40/86/59/619408659.db2.gz FBYYYDNMOGNBHK-GFCCVEGCSA-N 1 3 290.432 3.038 20 0 CGADHO Cc1nc(CNCCCCC[NH+]2CCCC2)sc1C ZINC000894625994 619591300 /nfs/dbraw/zinc/59/13/00/619591300.db2.gz JQSKDQYNJYMOFG-UHFFFAOYSA-N 1 3 281.469 3.116 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)CCc1ccccc1F)N(C)C ZINC000895293986 619797813 /nfs/dbraw/zinc/79/78/13/619797813.db2.gz MTERDTMRQUWROS-UONOGXRCSA-N 1 3 266.404 3.077 20 0 CGADHO C[C@H](CC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)N(C)C ZINC000895293313 619798055 /nfs/dbraw/zinc/79/80/55/619798055.db2.gz ZDXASXQTDHJCCB-DJIMGWMZSA-N 1 3 260.425 3.110 20 0 CGADHO Cc1cccc(C[NH+]2CCC(C)(N3CCC3)CC2)c1C ZINC000895669619 619868746 /nfs/dbraw/zinc/86/87/46/619868746.db2.gz DNUNEVZYZKYRBM-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000895823500 619890958 /nfs/dbraw/zinc/89/09/58/619890958.db2.gz WTYWNVHJPMMSSP-UHFFFAOYSA-N 1 3 294.483 3.286 20 0 CGADHO CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219036 620234829 /nfs/dbraw/zinc/23/48/29/620234829.db2.gz AYWQMDXZQNWVDA-YJBOKZPZSA-N 1 3 296.499 3.313 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000925234835 620256608 /nfs/dbraw/zinc/25/66/08/620256608.db2.gz HUXQYXUOTBMIEN-UHFFFAOYSA-N 1 3 266.351 3.039 20 0 CGADHO CCNc1ccccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000902042619 621114023 /nfs/dbraw/zinc/11/40/23/621114023.db2.gz SBEFDZXQGSQIFK-UHFFFAOYSA-N 1 3 275.440 3.081 20 0 CGADHO NC1(C[NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000902413327 621323039 /nfs/dbraw/zinc/32/30/39/621323039.db2.gz KJFLRKSLHMFGEF-HNNXBMFYSA-N 1 3 262.372 3.138 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468215 621339665 /nfs/dbraw/zinc/33/96/65/621339665.db2.gz NGABANCBSPAUCR-LKPRIIMKSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902471378 621341346 /nfs/dbraw/zinc/34/13/46/621341346.db2.gz OJBGHYDSURIWPT-QMCVQRASSA-N 1 3 272.436 3.225 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](c1ccncc1)C1CC1 ZINC000902513408 621351584 /nfs/dbraw/zinc/35/15/84/621351584.db2.gz FYOLTUYXQQTYHL-ACJLOTCBSA-N 1 3 296.418 3.046 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000902793590 621450255 /nfs/dbraw/zinc/45/02/55/621450255.db2.gz LCOUAQFJPRZEEL-BRWVUGGUSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902794476 621451926 /nfs/dbraw/zinc/45/19/26/621451926.db2.gz WMRBEUQWKIQIOD-WCXIOVBPSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825693 621457584 /nfs/dbraw/zinc/45/75/84/621457584.db2.gz NZZVPDCLUBITTB-HZPDHXFCSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000902825693 621457602 /nfs/dbraw/zinc/45/76/02/621457602.db2.gz NZZVPDCLUBITTB-HZPDHXFCSA-N 1 3 298.434 3.007 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381184 621722766 /nfs/dbraw/zinc/72/27/66/621722766.db2.gz SNIVVAIOPWNZIT-OKZBNKHCSA-N 1 3 289.467 3.489 20 0 CGADHO CC[C@H](C)[C@@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385005 621726320 /nfs/dbraw/zinc/72/63/20/621726320.db2.gz UZLHMBLHWFNVIA-SQWLQELKSA-N 1 3 263.429 3.099 20 0 CGADHO C[C@H](NC/C=C\Cl)c1cccc(C[NH+](C)C)c1 ZINC000903446551 621758342 /nfs/dbraw/zinc/75/83/42/621758342.db2.gz YLMDODNNJIOAMJ-JECSTDCCSA-N 1 3 252.789 3.151 20 0 CGADHO C[C@@H](CN(C)C[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730631 621797461 /nfs/dbraw/zinc/79/74/61/621797461.db2.gz YCPVNYNOYCLBBT-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@H](CN(C)C[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730629 621797686 /nfs/dbraw/zinc/79/76/86/621797686.db2.gz YCPVNYNOYCLBBT-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO [NH3+][C@@H](CNCCc1cc(Cl)cc(Cl)c1)CC(F)F ZINC000903922959 621833315 /nfs/dbraw/zinc/83/33/15/621833315.db2.gz IGNWAKQCQRGXJV-LLVKDONJSA-N 1 3 297.176 3.108 20 0 CGADHO C[C@H](CCC1CCCC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972423 621843749 /nfs/dbraw/zinc/84/37/49/621843749.db2.gz IIQMQANSAFPBCA-WBVHZDCISA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H](c1nc2ccccc2s1)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306002 621901883 /nfs/dbraw/zinc/90/18/83/621901883.db2.gz XPUUMQHINUQQSU-UTUOFQBUSA-N 1 3 275.421 3.026 20 0 CGADHO C[C@@H](c1ccccc1Br)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346164 621910330 /nfs/dbraw/zinc/91/03/30/621910330.db2.gz PSRPIONRGZAQCR-SDDRHHMPSA-N 1 3 297.240 3.179 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562615 622825094 /nfs/dbraw/zinc/82/50/94/622825094.db2.gz BVFGGNHATYMYNR-COXVUDFISA-N 1 3 288.435 3.145 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000156562615 622825098 /nfs/dbraw/zinc/82/50/98/622825098.db2.gz BVFGGNHATYMYNR-COXVUDFISA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@]1(C)CC1(Cl)Cl ZINC000817935716 625620189 /nfs/dbraw/zinc/62/01/89/625620189.db2.gz DCONMWPAVOFQIU-UPJWGTAASA-N 1 3 293.282 3.471 20 0 CGADHO COC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000922946457 626104841 /nfs/dbraw/zinc/10/48/41/626104841.db2.gz JEDSICOOPWHACM-MRXNPFEDSA-N 1 3 296.499 3.292 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000753661806 626461567 /nfs/dbraw/zinc/46/15/67/626461567.db2.gz HPTDUPSXGDVOIB-OWCLPIDISA-N 1 3 290.451 3.445 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000753661806 626461569 /nfs/dbraw/zinc/46/15/69/626461569.db2.gz HPTDUPSXGDVOIB-OWCLPIDISA-N 1 3 290.451 3.445 20 0 CGADHO CC[N@@H+]1C[C@@H](C)N(c2ccnc3cc(OC)ccc32)C[C@@H]1C ZINC000765640856 627264521 /nfs/dbraw/zinc/26/45/21/627264521.db2.gz HPERGHUKTSLCKA-UONOGXRCSA-N 1 3 299.418 3.162 20 0 CGADHO CC[N@H+]1C[C@@H](C)N(c2ccnc3cc(OC)ccc32)C[C@@H]1C ZINC000765640856 627264523 /nfs/dbraw/zinc/26/45/23/627264523.db2.gz HPERGHUKTSLCKA-UONOGXRCSA-N 1 3 299.418 3.162 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000773010048 627841610 /nfs/dbraw/zinc/84/16/10/627841610.db2.gz QWAAAKXCVUTQTC-UHFFFAOYSA-N 1 3 274.452 3.390 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623459 628115338 /nfs/dbraw/zinc/11/53/38/628115338.db2.gz QOFSBHOOMREHFF-KGLIPLIRSA-N 1 3 283.419 3.303 20 0 CGADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623459 628115340 /nfs/dbraw/zinc/11/53/40/628115340.db2.gz QOFSBHOOMREHFF-KGLIPLIRSA-N 1 3 283.419 3.303 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863654307 629634282 /nfs/dbraw/zinc/63/42/82/629634282.db2.gz WHQJOROFHVCJGD-DZGCQCFKSA-N 1 3 266.816 3.290 20 0 CGADHO C[NH+](C)Cc1ccc(-c2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000863691599 629649118 /nfs/dbraw/zinc/64/91/18/629649118.db2.gz IGSUPTUHYNHWRO-LJQANCHMSA-N 1 3 296.414 3.076 20 0 CGADHO CSCCCCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817921703 632234732 /nfs/dbraw/zinc/23/47/32/632234732.db2.gz HNQHTGSDFQVRGC-CYBMUJFWSA-N 1 3 295.496 3.423 20 0 CGADHO CC[C@H](NCc1ccc(CC[NH3+])cc1)c1ccsc1 ZINC000817949145 632245776 /nfs/dbraw/zinc/24/57/76/632245776.db2.gz OVCSCDJLSRMMBN-INIZCTEOSA-N 1 3 274.433 3.490 20 0 CGADHO COc1ccc(C)cc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817948761 632245935 /nfs/dbraw/zinc/24/59/35/632245935.db2.gz LFZDCDXQPQPSRI-HNNXBMFYSA-N 1 3 298.430 3.356 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc(F)c1 ZINC000817948387 632245958 /nfs/dbraw/zinc/24/59/58/632245958.db2.gz ZFACISOXLXEIMI-ZDUSSCGKSA-N 1 3 272.367 3.178 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000817961381 632257262 /nfs/dbraw/zinc/25/72/62/632257262.db2.gz XXJHDAKKIGWESK-FRRDWIJNSA-N 1 3 258.475 3.014 20 0 CGADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817969255 632263270 /nfs/dbraw/zinc/26/32/70/632263270.db2.gz SRAPZHPRLCWIPA-SJORKVTESA-N 1 3 288.435 3.194 20 0 CGADHO COc1c(C)cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1Cl ZINC000817980634 632271114 /nfs/dbraw/zinc/27/11/14/632271114.db2.gz WEAIBTFTPGYXFN-MXWKQRLJSA-N 1 3 270.804 3.043 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2CCCS2)CC1 ZINC000866478157 633150581 /nfs/dbraw/zinc/15/05/81/633150581.db2.gz FTGSRLHWXZEHNZ-AWEZNQCLSA-N 1 3 270.486 3.125 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872034421 633953129 /nfs/dbraw/zinc/95/31/29/633953129.db2.gz NWUPYBNLKIIDKH-ZDUSSCGKSA-N 1 3 294.414 3.304 20 0 CGADHO CSC(C)(C)CC[NH2+]C1CCN(CC(C)C)CC1 ZINC000876924112 634930053 /nfs/dbraw/zinc/93/00/53/634930053.db2.gz JRQPACJHXXAZQD-UHFFFAOYSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@@H]1CN(CCCCCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000842472719 635378686 /nfs/dbraw/zinc/37/86/86/635378686.db2.gz JGFDXYSVYHZVLH-SJLPKXTDSA-N 1 3 290.451 3.358 20 0 CGADHO CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CCO[C@H]2C)CC1 ZINC000880254674 635957587 /nfs/dbraw/zinc/95/75/87/635957587.db2.gz KVNNAZCRNGFXKV-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1ccc(C[NH+]2CCC(C)(N3CCC3)CC2)c(C)c1 ZINC000880473895 636007483 /nfs/dbraw/zinc/00/74/83/636007483.db2.gz CTDVVEYWFDELMZ-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC(C)(C)CO2)CC1 ZINC000883249664 636620925 /nfs/dbraw/zinc/62/09/25/636620925.db2.gz NFJSPUBDFGFJTH-HNNXBMFYSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)c1cccc(NC(=[NH2+])NCCN2CC[C@@H](C)C2)c1 ZINC000849004892 636712453 /nfs/dbraw/zinc/71/24/53/636712453.db2.gz GTUKJBZWOCGLON-CQSZACIVSA-N 1 3 288.439 3.088 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000131991722 636770478 /nfs/dbraw/zinc/77/04/78/636770478.db2.gz ZPUJWWDXJRUMAW-UHFFFAOYSA-N 1 3 282.378 3.446 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000886011184 637360655 /nfs/dbraw/zinc/36/06/55/637360655.db2.gz WDBLWFAFZPGUPS-CRAIPNDOSA-N 1 3 294.483 3.331 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000886040725 637380684 /nfs/dbraw/zinc/38/06/84/637380684.db2.gz BTAYPKHDXPNBPU-OKZBNKHCSA-N 1 3 296.499 3.292 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924570608 638364016 /nfs/dbraw/zinc/36/40/16/638364016.db2.gz QJXDBNGSVOAZOJ-CQSZACIVSA-N 1 3 290.451 3.049 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924571386 638364449 /nfs/dbraw/zinc/36/44/49/638364449.db2.gz FYMUGYXKLGRQIC-QAPCUYQASA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccns1 ZINC000924681646 638387083 /nfs/dbraw/zinc/38/70/83/638387083.db2.gz QCIGWMWBBXRRKI-CQSZACIVSA-N 1 3 281.469 3.306 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(CCC(C)C)CC2)cn1 ZINC000925031039 638438681 /nfs/dbraw/zinc/43/86/81/638438681.db2.gz XNOMADLNTQCYQF-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@H]1CCCCS1 ZINC000925633973 638551824 /nfs/dbraw/zinc/55/18/24/638551824.db2.gz HMBBOHVRPLURDU-BZUAXINKSA-N 1 3 282.497 3.030 20 0 CGADHO CSCCCCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925637785 638552832 /nfs/dbraw/zinc/55/28/32/638552832.db2.gz RUKCUCWDDKLXJI-KKUMJFAQSA-N 1 3 284.513 3.276 20 0 CGADHO CSC1(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CCC1 ZINC000925656193 638558355 /nfs/dbraw/zinc/55/83/55/638558355.db2.gz ILADKXWYMAZVFV-HUUCEWRRSA-N 1 3 282.497 3.030 20 0 CGADHO [NH3+][C@H]1C[C@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C12CCC2 ZINC000925658315 638559171 /nfs/dbraw/zinc/55/91/71/638559171.db2.gz WXRJRXVTSNWHJK-TUUVXOQKSA-N 1 3 290.838 3.446 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000925739948 638590989 /nfs/dbraw/zinc/59/09/89/638590989.db2.gz BZJBUAVPKNLPND-SNVBAGLBSA-N 1 3 290.329 3.363 20 0 CGADHO CC(C)[C@@H](NCCC(C)(C)[NH3+])c1ccc(F)c(F)c1 ZINC000925742725 638593646 /nfs/dbraw/zinc/59/36/46/638593646.db2.gz XIDUBPFJVCROIJ-CQSZACIVSA-N 1 3 270.367 3.379 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCc3c2cccc3C)CC1 ZINC000925758691 638599866 /nfs/dbraw/zinc/59/98/66/638599866.db2.gz GLNQKRUUEZYUGN-MRXNPFEDSA-N 1 3 258.409 3.186 20 0 CGADHO C[C@@H]([NH3+])[C@@H](NCC1C[C@H]2CC[C@@H](C1)S2)c1ccccc1 ZINC000925800994 638615643 /nfs/dbraw/zinc/61/56/43/638615643.db2.gz HXNYONBJHXHPHF-IBWRZXHSSA-N 1 3 290.476 3.339 20 0 CGADHO C[C@H](N[C@H]1CCCn2nccc21)c1cccc(C[NH+](C)C)c1 ZINC000926816028 638815200 /nfs/dbraw/zinc/81/52/00/638815200.db2.gz JYRKRRIVFJQRSD-YOEHRIQHSA-N 1 3 298.434 3.130 20 0 CGADHO Cc1cnccc1Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC001160014549 806214220 /nfs/dbraw/zinc/21/42/20/806214220.db2.gz AGQHULMMRJBWQZ-UHFFFAOYSA-N 1 3 281.403 3.098 20 0 CGADHO CCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253539764 806242434 /nfs/dbraw/zinc/24/24/34/806242434.db2.gz ZIXIKTXWPSVEOM-OKZBNKHCSA-N 1 3 296.499 3.266 20 0 CGADHO CCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253539764 806242440 /nfs/dbraw/zinc/24/24/40/806242440.db2.gz ZIXIKTXWPSVEOM-OKZBNKHCSA-N 1 3 296.499 3.266 20 0 CGADHO CCCCC[C@@H](O)CN(C)C1CC[NH+](CCCC)CC1 ZINC001253540098 806243248 /nfs/dbraw/zinc/24/32/48/806243248.db2.gz CVNZHXPVNQHQGA-QGZVFWFLSA-N 1 3 284.488 3.124 20 0 CGADHO CCCCC[C@@H](O)CNC1CC[NH+](CC(C)(C)C)CC1 ZINC001253561718 806258273 /nfs/dbraw/zinc/25/82/73/806258273.db2.gz YDOYTEWVWCVKES-MRXNPFEDSA-N 1 3 284.488 3.028 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C(C)(C)c1ccnc(Cl)c1 ZINC001160968356 806330408 /nfs/dbraw/zinc/33/04/08/806330408.db2.gz MIYQJSPRRCBMCQ-CYBMUJFWSA-N 1 3 281.831 3.044 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453586 806405989 /nfs/dbraw/zinc/40/59/89/806405989.db2.gz JWRRHKMZCIVYOY-DYVFJYSZSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)cc2F)[C@H](C)C1 ZINC001254453586 806405991 /nfs/dbraw/zinc/40/59/91/806405991.db2.gz JWRRHKMZCIVYOY-DYVFJYSZSA-N 1 3 296.405 3.169 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC001254500116 806420870 /nfs/dbraw/zinc/42/08/70/806420870.db2.gz FLGGGLYTUSHCKI-HZPDHXFCSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC001254500116 806420874 /nfs/dbraw/zinc/42/08/74/806420874.db2.gz FLGGGLYTUSHCKI-HZPDHXFCSA-N 1 3 264.388 3.351 20 0 CGADHO CCCc1ccc(C[NH2+][C@@H]2CCCN(C)CC2)cc1 ZINC001254505103 806424458 /nfs/dbraw/zinc/42/44/58/806424458.db2.gz ZJVUIEKVDKFXPQ-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(CN[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254505103 806424464 /nfs/dbraw/zinc/42/44/64/806424464.db2.gz ZJVUIEKVDKFXPQ-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(CN[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254505103 806424475 /nfs/dbraw/zinc/42/44/75/806424475.db2.gz ZJVUIEKVDKFXPQ-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO CC[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC001254507237 806426917 /nfs/dbraw/zinc/42/69/17/806426917.db2.gz KLWBGIHFQIZMNN-CVEARBPZSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@H](N[C@@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507237 806426919 /nfs/dbraw/zinc/42/69/19/806426919.db2.gz KLWBGIHFQIZMNN-CVEARBPZSA-N 1 3 264.388 3.351 20 0 CGADHO c1ccc2c(c1)CC(N[C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001255016803 806526938 /nfs/dbraw/zinc/52/69/38/806526938.db2.gz WOKRIDMVFWLWES-SFHVURJKSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC(N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001255016803 806526947 /nfs/dbraw/zinc/52/69/47/806526947.db2.gz WOKRIDMVFWLWES-SFHVURJKSA-N 1 3 284.447 3.008 20 0 CGADHO CCCC[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001255317863 806608849 /nfs/dbraw/zinc/60/88/49/806608849.db2.gz TYJXPPOAOQAWMI-INIZCTEOSA-N 1 3 289.467 3.462 20 0 CGADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399394 806633264 /nfs/dbraw/zinc/63/32/64/806633264.db2.gz REFPQJJBVGICAG-NJAFHUGGSA-N 1 3 290.426 3.331 20 0 CGADHO C[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399394 806633265 /nfs/dbraw/zinc/63/32/65/806633265.db2.gz REFPQJJBVGICAG-NJAFHUGGSA-N 1 3 290.426 3.331 20 0 CGADHO FC[C@H]1CCC[N@@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255408903 806634870 /nfs/dbraw/zinc/63/48/70/806634870.db2.gz FAGWXRKNNZLKKP-ZWKOTPCHSA-N 1 3 290.426 3.475 20 0 CGADHO FC[C@H]1CCC[N@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255408903 806634876 /nfs/dbraw/zinc/63/48/76/806634876.db2.gz FAGWXRKNNZLKKP-ZWKOTPCHSA-N 1 3 290.426 3.475 20 0 CGADHO Cc1ccc(N2C[C@@H]([NH3+])Cc3ccccc32)c(CN(C)C)c1 ZINC001162853133 806675610 /nfs/dbraw/zinc/67/56/10/806675610.db2.gz BRLPXUQWNNAHOJ-KRWDZBQOSA-N 1 3 295.430 3.078 20 0 CGADHO CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccn1 ZINC001255668905 806700386 /nfs/dbraw/zinc/70/03/86/806700386.db2.gz PAYMZQFXAWRSMI-WTXIUTQJSA-N 1 3 273.424 3.138 20 0 CGADHO c1cc2c(s1)[C@@H](Nc1ccc([C@H]3CCC[NH2+]3)cc1)CNC2 ZINC001163227981 806729818 /nfs/dbraw/zinc/72/98/18/806729818.db2.gz GDRCCHVEBLQNJP-CVEARBPZSA-N 1 3 299.443 3.429 20 0 CGADHO C[C@H]([NH3+])c1ccc(N[C@@H]2CNCc3ccsc32)cc1 ZINC001163228644 806730414 /nfs/dbraw/zinc/73/04/14/806730414.db2.gz MPGANJZWKQLDQA-IINYFYTJSA-N 1 3 273.405 3.024 20 0 CGADHO CC(C)[N@@H+](Cc1cc2c(s1)CCNC2)CC1CC1 ZINC000687961950 799740912 /nfs/dbraw/zinc/74/09/12/799740912.db2.gz KTYILKJUSSWOCP-UHFFFAOYSA-N 1 3 264.438 3.014 20 0 CGADHO CC(C)[N@H+](Cc1cc2c(s1)CCNC2)CC1CC1 ZINC000687961950 799740917 /nfs/dbraw/zinc/74/09/17/799740917.db2.gz KTYILKJUSSWOCP-UHFFFAOYSA-N 1 3 264.438 3.014 20 0 CGADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@@H]1C1CCCCC1 ZINC000688809909 799756188 /nfs/dbraw/zinc/75/61/88/799756188.db2.gz SLSKZGIHBBYGCZ-QWHCGFSZSA-N 1 3 260.372 3.014 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879494 806780667 /nfs/dbraw/zinc/78/06/67/806780667.db2.gz GEIYQMJPFPARIX-OIISXLGYSA-N 1 3 290.426 3.030 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001255879494 806780671 /nfs/dbraw/zinc/78/06/71/806780671.db2.gz GEIYQMJPFPARIX-OIISXLGYSA-N 1 3 290.426 3.030 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700817570 799879466 /nfs/dbraw/zinc/87/94/66/799879466.db2.gz VQXWWLJRLUUMJN-GOEBONIOSA-N 1 3 278.415 3.078 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC001255941335 806789376 /nfs/dbraw/zinc/78/93/76/806789376.db2.gz ONYWVZUMLPTEQI-CQSZACIVSA-N 1 3 266.404 3.078 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708848595 799996350 /nfs/dbraw/zinc/99/63/50/799996350.db2.gz FZYUHGDTKXQEBN-GVDBMIGSSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@H](C3CCCCC3)C2)CCN1 ZINC000708848595 799996352 /nfs/dbraw/zinc/99/63/52/799996352.db2.gz FZYUHGDTKXQEBN-GVDBMIGSSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)C1CC[NH+]([C@H]2CCNC(C)(C)C2)CC1 ZINC000709483334 800009073 /nfs/dbraw/zinc/00/90/73/800009073.db2.gz QHAOGJVRDITJEX-AWEZNQCLSA-N 1 3 252.446 3.275 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc2C1 ZINC001255952707 806797223 /nfs/dbraw/zinc/79/72/23/806797223.db2.gz GUHHWLDYZXLMGG-KBXCAEBGSA-N 1 3 292.442 3.393 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@](C)(F)CC1 ZINC001255957190 806797951 /nfs/dbraw/zinc/79/79/51/806797951.db2.gz PDGRQYIHGJDRKH-GJZGRUSLSA-N 1 3 258.425 3.321 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@](C)(F)CC1 ZINC001255957190 806797956 /nfs/dbraw/zinc/79/79/56/806797956.db2.gz PDGRQYIHGJDRKH-GJZGRUSLSA-N 1 3 258.425 3.321 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N1CCC[C@](C)(F)CC1 ZINC001255957190 806797960 /nfs/dbraw/zinc/79/79/60/806797960.db2.gz PDGRQYIHGJDRKH-GJZGRUSLSA-N 1 3 258.425 3.321 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N1CCc2ccccc2CC1 ZINC001255962580 806799835 /nfs/dbraw/zinc/79/98/35/806799835.db2.gz XHAGLJDQSYXUKP-MRXNPFEDSA-N 1 3 274.452 3.208 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH+]1CCc2ccccc2CC1 ZINC001255962580 806799841 /nfs/dbraw/zinc/79/98/41/806799841.db2.gz XHAGLJDQSYXUKP-MRXNPFEDSA-N 1 3 274.452 3.208 20 0 CGADHO [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ccccc21 ZINC000712378460 800085452 /nfs/dbraw/zinc/08/54/52/800085452.db2.gz PMRZSGJOZBCMIN-PASATYPHSA-N 1 3 256.393 3.300 20 0 CGADHO CC(C)(C[NH3+])C1CCN(Cc2ccccc2F)CC1 ZINC000714417711 800121433 /nfs/dbraw/zinc/12/14/33/800121433.db2.gz NBDOSNBMJQQTHF-UHFFFAOYSA-N 1 3 264.388 3.023 20 0 CGADHO CCC[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC001256070968 806811132 /nfs/dbraw/zinc/81/11/32/806811132.db2.gz JOKRWKXUQIOYAS-QGZVFWFLSA-N 1 3 273.424 3.139 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCCC2)C[C@@H]1C(F)(F)F ZINC000720806182 800267559 /nfs/dbraw/zinc/26/75/59/800267559.db2.gz PERFDWAWISKQGI-OLZOCXBDSA-N 1 3 278.362 3.026 20 0 CGADHO CC1(C)CCC[C@@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C1 ZINC000721525991 800292217 /nfs/dbraw/zinc/29/22/17/800292217.db2.gz TXMJICJAWQJPSX-IAGOWNOFSA-N 1 3 272.436 3.341 20 0 CGADHO C[C@@]1(C[NH2+]C2CCN(CC3CC3)CC2)CC1(Cl)Cl ZINC000824773622 800472172 /nfs/dbraw/zinc/47/21/72/800472172.db2.gz MMEJMJLOFNQMHN-ZDUSSCGKSA-N 1 3 291.266 3.034 20 0 CGADHO C[C@@]1(CNC2CC[NH+](CC3CC3)CC2)CC1(Cl)Cl ZINC000824773622 800472180 /nfs/dbraw/zinc/47/21/80/800472180.db2.gz MMEJMJLOFNQMHN-ZDUSSCGKSA-N 1 3 291.266 3.034 20 0 CGADHO Cc1cccc(OCC[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC001256561626 806916320 /nfs/dbraw/zinc/91/63/20/806916320.db2.gz BREWXGAXGSVSNC-UHFFFAOYSA-N 1 3 290.451 3.226 20 0 CGADHO Cc1cc2c(cn1)[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)CC2 ZINC001256566159 806918094 /nfs/dbraw/zinc/91/80/94/806918094.db2.gz QJHNFFOOCJALCG-QGZVFWFLSA-N 1 3 287.451 3.230 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001256571103 806919089 /nfs/dbraw/zinc/91/90/89/806919089.db2.gz CGVNBPZPVVJJJC-INIZCTEOSA-N 1 3 287.451 3.134 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001256571103 806919095 /nfs/dbraw/zinc/91/90/95/806919095.db2.gz CGVNBPZPVVJJJC-INIZCTEOSA-N 1 3 287.451 3.134 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256572870 806919577 /nfs/dbraw/zinc/91/95/77/806919577.db2.gz ZLTSIZHOKUQOQD-QGZVFWFLSA-N 1 3 287.451 3.481 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256572870 806919580 /nfs/dbraw/zinc/91/95/80/806919580.db2.gz ZLTSIZHOKUQOQD-QGZVFWFLSA-N 1 3 287.451 3.481 20 0 CGADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ncccc1C ZINC001256614823 806926252 /nfs/dbraw/zinc/92/62/52/806926252.db2.gz JYSJKXKCPZFKLP-WTXIUTQJSA-N 1 3 273.424 3.056 20 0 CGADHO COc1ccc([C@@H](C)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001256628665 806931953 /nfs/dbraw/zinc/93/19/53/806931953.db2.gz NIPAJVMDSHSRFC-KTFSGNIMSA-N 1 3 288.435 3.313 20 0 CGADHO COc1ccc([C@@H](C)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001256628665 806931958 /nfs/dbraw/zinc/93/19/58/806931958.db2.gz NIPAJVMDSHSRFC-KTFSGNIMSA-N 1 3 288.435 3.313 20 0 CGADHO C[NH+]1CCC(CN2CCc3ccc(Cl)cc3C2)CC1 ZINC001119938733 802710654 /nfs/dbraw/zinc/71/06/54/802710654.db2.gz MELSXDYSAXINCA-UHFFFAOYSA-N 1 3 278.827 3.040 20 0 CGADHO CCCCCOc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205136295 812882594 /nfs/dbraw/zinc/88/25/94/812882594.db2.gz WNLIKNDTXCGQNX-DOTOQJQBSA-N 1 3 290.451 3.282 20 0 CGADHO C[NH+](C)CC1(CN2CCC[C@H](C(F)F)C2)CCCC1 ZINC001208185626 813735946 /nfs/dbraw/zinc/73/59/46/813735946.db2.gz GWJCVOZVYGSOLI-ZDUSSCGKSA-N 1 3 274.399 3.086 20 0 CGADHO CC(C)C1=NCCc2ccc(-c3ccncc3C[NH3+])cc21 ZINC001245561116 803814633 /nfs/dbraw/zinc/81/46/33/803814633.db2.gz UFQIEHAHKYUZMJ-UHFFFAOYSA-N 1 3 279.387 3.209 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138062641 803846095 /nfs/dbraw/zinc/84/60/95/803846095.db2.gz UQZCPQZWROQGDI-IBGZPJMESA-N 1 3 296.414 3.073 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138062641 803846104 /nfs/dbraw/zinc/84/61/04/803846104.db2.gz UQZCPQZWROQGDI-IBGZPJMESA-N 1 3 296.414 3.073 20 0 CGADHO CC[C@@H]1CC(NCCc2ccccc2F)C[C@@H](CC)[NH2+]1 ZINC001246074730 804113474 /nfs/dbraw/zinc/11/34/74/804113474.db2.gz PZQAULMKCUBALH-HUUCEWRRSA-N 1 3 278.415 3.267 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C1CCNCC1 ZINC001246077681 804115757 /nfs/dbraw/zinc/11/57/57/804115757.db2.gz JQDRJXKHUKMUDM-CYBMUJFWSA-N 1 3 296.480 3.412 20 0 CGADHO C[C@@]1([NH2+][C@@H]2CCCC3(CCCCC3)C2)CCNC1 ZINC001246097018 804130258 /nfs/dbraw/zinc/13/02/58/804130258.db2.gz MKFRDDQUDMBUDV-HUUCEWRRSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@]1([NH2+]C2CCC(c3ccccc3)CC2)CCNC1 ZINC001246099577 804131161 /nfs/dbraw/zinc/13/11/61/804131161.db2.gz XTLFSNZQGBPZRS-JCYILVPMSA-N 1 3 258.409 3.054 20 0 CGADHO CCCCC[C@@H](CC)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246113191 804144910 /nfs/dbraw/zinc/14/49/10/804144910.db2.gz NJKCWYQZNBYBIT-CABCVRRESA-N 1 3 258.425 3.417 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]C1(C)CCNCC1 ZINC001246129127 804156500 /nfs/dbraw/zinc/15/65/00/804156500.db2.gz PGOXMIXNBUSGCE-MRXNPFEDSA-N 1 3 260.425 3.130 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+][C@@H]1COCCC12CNC2 ZINC001246137332 804160887 /nfs/dbraw/zinc/16/08/87/804160887.db2.gz IIRKQWCTUGKXCV-IAGOWNOFSA-N 1 3 296.499 3.484 20 0 CGADHO CCCCCC[C@@H](CCCC)N[C@@H]1COCCC12C[NH2+]C2 ZINC001246137332 804160891 /nfs/dbraw/zinc/16/08/91/804160891.db2.gz IIRKQWCTUGKXCV-IAGOWNOFSA-N 1 3 296.499 3.484 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001246137454 804162214 /nfs/dbraw/zinc/16/22/14/804162214.db2.gz YOYSDCWSCOWCAW-XECBFPEOSA-N 1 3 299.245 3.264 20 0 CGADHO CCCC1CCC([NH2+]C[C@@]23CCCO[C@@H]2CCNC3)CC1 ZINC001246140338 804163726 /nfs/dbraw/zinc/16/37/26/804163726.db2.gz BDMRWNXCFBQPTB-HIEASXQVSA-N 1 3 294.483 3.094 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246142176 804165346 /nfs/dbraw/zinc/16/53/46/804165346.db2.gz FEMNLPFBPVWBNQ-FJIDUMEYSA-N 1 3 296.499 3.196 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)[NH2+][C@H]3C[C@@H](N)C3)ccc2c1 ZINC001246189572 804200201 /nfs/dbraw/zinc/20/02/01/804200201.db2.gz NVZQTDRKVHPIMR-XWIAVFTESA-N 1 3 298.430 3.249 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)N[C@H]3C[C@@H]([NH3+])C3)ccc2c1 ZINC001246189572 804200209 /nfs/dbraw/zinc/20/02/09/804200209.db2.gz NVZQTDRKVHPIMR-XWIAVFTESA-N 1 3 298.430 3.249 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N[C@]1(C)CCC[NH2+]C1 ZINC001246192037 804200484 /nfs/dbraw/zinc/20/04/84/804200484.db2.gz YBCXDQJCIUFJIS-DLBZAZTESA-N 1 3 260.425 3.130 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246208069 804207265 /nfs/dbraw/zinc/20/72/65/804207265.db2.gz AXNKHSFMPXGMQE-UFJLJLFMSA-N 1 3 298.474 3.401 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246208062 804207347 /nfs/dbraw/zinc/20/73/47/804207347.db2.gz AWKJZZHSKOUMKR-DZGCQCFKSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@@]1(C)CC[NH2+]C1 ZINC001246216552 804212035 /nfs/dbraw/zinc/21/20/35/804212035.db2.gz NGJBCYCGABUJEE-DOMZBBRYSA-N 1 3 298.883 3.410 20 0 CGADHO CCCC[C@@H](CC)COCCC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246217110 804212197 /nfs/dbraw/zinc/21/21/97/804212197.db2.gz PUQVJFQJQXCGCE-ZACQAIPSSA-N 1 3 284.488 3.340 20 0 CGADHO CCCCCC[C@H](CC)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246219749 804214665 /nfs/dbraw/zinc/21/46/65/804214665.db2.gz CRZWFJSUVNBQEN-ILXRZTDVSA-N 1 3 258.425 3.273 20 0 CGADHO CCCCC(CCCC)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246224607 804218410 /nfs/dbraw/zinc/21/84/10/804218410.db2.gz XVAKCQWGQLKYSO-DZGCQCFKSA-N 1 3 258.425 3.273 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@H](CO)CC2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246229502 804221823 /nfs/dbraw/zinc/22/18/23/804221823.db2.gz JUPGOJQTSNMHBI-MHORFTMASA-N 1 3 296.499 3.217 20 0 CGADHO C[NH2+]CC[C@@H](C)NC1(c2ccccc2)CCCCC1 ZINC001246232828 804224613 /nfs/dbraw/zinc/22/46/13/804224613.db2.gz RRDVDKYHPIHFOU-OAHLLOKOSA-N 1 3 260.425 3.434 20 0 CGADHO CCCC[C@H](CC)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246233382 804224834 /nfs/dbraw/zinc/22/48/34/804224834.db2.gz RJOXISDYTXRIOQ-CAOSSQGBSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C[C@H](C)N1 ZINC001246236971 804227995 /nfs/dbraw/zinc/22/79/95/804227995.db2.gz DYSNTQGDVIFXRF-MIFYACCESA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)C[C@@H](C)N1 ZINC001246259067 804242470 /nfs/dbraw/zinc/24/24/70/804242470.db2.gz YXSKZBNAQUEGDS-BDLOOMQFSA-N 1 3 264.457 3.464 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)C[C@@H](C)N1 ZINC001246259071 804243048 /nfs/dbraw/zinc/24/30/48/804243048.db2.gz YXSKZBNAQUEGDS-VFPIZLKKSA-N 1 3 264.457 3.464 20 0 CGADHO CC[NH2+]CCNC1CCC2(CCc3ccccc32)CC1 ZINC001246275299 804251675 /nfs/dbraw/zinc/25/16/75/804251675.db2.gz RJVNVNUKCJHMHR-UHFFFAOYSA-N 1 3 272.436 3.012 20 0 CGADHO Fc1cccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC001246275266 804251736 /nfs/dbraw/zinc/25/17/36/804251736.db2.gz QOPYINKCPMXPDR-IRXDYDNUSA-N 1 3 276.399 3.399 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246310822 804274403 /nfs/dbraw/zinc/27/44/03/804274403.db2.gz MYRIPDFMSWLTAL-ZIAGYGMSSA-N 1 3 280.843 3.160 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246329311 804283959 /nfs/dbraw/zinc/28/39/59/804283959.db2.gz UYDCZWSITUNRMI-HOCLYGCPSA-N 1 3 296.405 3.264 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246330640 804285978 /nfs/dbraw/zinc/28/59/78/804285978.db2.gz DLCNOYXRFGNWQR-SJORKVTESA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246331538 804286813 /nfs/dbraw/zinc/28/68/13/804286813.db2.gz CLAYCBNHEGIMRI-ARAZSQDJSA-N 1 3 276.468 3.466 20 0 CGADHO CC[C@H](C)C1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3)CC1 ZINC001246335929 804290784 /nfs/dbraw/zinc/29/07/84/804290784.db2.gz DJXKMTBUEAFHTO-OODXUMAMSA-N 1 3 262.441 3.240 20 0 CGADHO C[C@]12C[C@@H]3C[C@]([NH2+]C4CCNCC4)(C1)C[C@@](C)(C3)C2 ZINC001246337297 804291699 /nfs/dbraw/zinc/29/16/99/804291699.db2.gz UGTPOOBMIBZWHN-BGOPPPGBSA-N 1 3 262.441 3.077 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CCN[C@H](CC)C2)CC1 ZINC001246339599 804293341 /nfs/dbraw/zinc/29/33/41/804293341.db2.gz QMWCDVPJDQLZTQ-GYTBAZASSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C(C)(C)CCN ZINC001246361573 804306785 /nfs/dbraw/zinc/30/67/85/804306785.db2.gz IOBGACIYGCDPNX-JTQLQIEISA-N 1 3 272.795 3.127 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246369003 804307968 /nfs/dbraw/zinc/30/79/68/804307968.db2.gz AZNNJINOMBISBH-ROUUACIJSA-N 1 3 286.463 3.158 20 0 CGADHO CCC[C@H](CC)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246375698 804309018 /nfs/dbraw/zinc/30/90/18/804309018.db2.gz JCSFVWLCFTXTKW-HNNXBMFYSA-N 1 3 290.451 3.442 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)C[C@H](C)N1 ZINC001246385076 804315262 /nfs/dbraw/zinc/31/52/62/804315262.db2.gz BBCVHLPHCKFNGG-XOIINTDNSA-N 1 3 290.426 3.267 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]C1(Cc2ccc(F)cc2)CCNCC1 ZINC001246392332 804317224 /nfs/dbraw/zinc/31/72/24/804317224.db2.gz RXCNCHPHIBKDLM-AWEZNQCLSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)C[C@H](C)N1 ZINC001246387539 804317547 /nfs/dbraw/zinc/31/75/47/804317547.db2.gz GXCLDOUKMJLTNT-XOIINTDNSA-N 1 3 290.426 3.410 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246394084 804319570 /nfs/dbraw/zinc/31/95/70/804319570.db2.gz QWUQSRUACILWJQ-IRXDYDNUSA-N 1 3 290.426 3.411 20 0 CGADHO Fc1ccc([C@H](CC2CC2)[NH2+][C@H]2CCCNC2)cc1 ZINC001246401420 804322278 /nfs/dbraw/zinc/32/22/78/804322278.db2.gz DLLSYWFQGNIMER-HOTGVXAUSA-N 1 3 262.372 3.009 20 0 CGADHO FC1(F)CCC(CC2CCC2)([NH2+]C2CCNCC2)CC1 ZINC001246406308 804324304 /nfs/dbraw/zinc/32/43/04/804324304.db2.gz ODLVPLMLJXVKNC-UHFFFAOYSA-N 1 3 286.410 3.466 20 0 CGADHO Fc1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2CCCNC2)cc1 ZINC001246411264 804325590 /nfs/dbraw/zinc/32/55/90/804325590.db2.gz TXHHLTJBDNBIKC-IAGOWNOFSA-N 1 3 276.399 3.399 20 0 CGADHO Clc1ccc(CCCCN[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246412735 804326975 /nfs/dbraw/zinc/32/69/75/804326975.db2.gz MAHMCCRXCSEWIG-MRXNPFEDSA-N 1 3 280.843 3.394 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)N[C@@H]1CC12C[NH2+]C2 ZINC001246444273 804334646 /nfs/dbraw/zinc/33/46/46/804334646.db2.gz JTBBWGURYGEUNG-TZMCWYRMSA-N 1 3 294.464 3.022 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CC12CNC2 ZINC001246444273 804334654 /nfs/dbraw/zinc/33/46/54/804334654.db2.gz JTBBWGURYGEUNG-TZMCWYRMSA-N 1 3 294.464 3.022 20 0 CGADHO CCC[C@@]1(CNC2CCC(C(C)C)CC2)CC[NH2+]1 ZINC001246454619 804335611 /nfs/dbraw/zinc/33/56/11/804335611.db2.gz DOIPCOFJJFUPBA-GPANFISMSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[NH2+]CCN[C@H]1CCCC2(CCCCC2)C1 ZINC001246457049 804339039 /nfs/dbraw/zinc/33/90/39/804339039.db2.gz CAPVVULKNUQYTI-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1CCC[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246458754 804339589 /nfs/dbraw/zinc/33/95/89/804339589.db2.gz BQOGZRMYVWZXJN-NUEKZKHPSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C)c1C ZINC001246469622 804348087 /nfs/dbraw/zinc/34/80/87/804348087.db2.gz DTIPWLZXBDWGBS-DOTOQJQBSA-N 1 3 260.425 3.486 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001246472547 804349338 /nfs/dbraw/zinc/34/93/38/804349338.db2.gz GWTXNKIGJFRWOU-AKHDSKFASA-N 1 3 284.447 3.152 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@H]1CC[NH2+]CC12CC2 ZINC001246472709 804349354 /nfs/dbraw/zinc/34/93/54/804349354.db2.gz ILNURTDXAKFSGM-NHYWBVRUSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCNCC12CC2 ZINC001246472709 804349361 /nfs/dbraw/zinc/34/93/61/804349361.db2.gz ILNURTDXAKFSGM-NHYWBVRUSA-N 1 3 296.817 3.142 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001246473574 804350828 /nfs/dbraw/zinc/35/08/28/804350828.db2.gz KLGUXZJHWJEFTB-NCXUSEDFSA-N 1 3 284.447 3.007 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001246475216 804352511 /nfs/dbraw/zinc/35/25/11/804352511.db2.gz SNRPHMISFVXEDH-ZSYWTGECSA-N 1 3 284.447 3.152 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+][C@H]1CCNCC12CC2 ZINC001246475126 804352824 /nfs/dbraw/zinc/35/28/24/804352824.db2.gz RXHMZLRCRMWJLP-GJZGRUSLSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCCCNC1)c1cc(C)ccc1C ZINC001246477516 804353990 /nfs/dbraw/zinc/35/39/90/804353990.db2.gz YVKDICYDLXEEGE-DOTOQJQBSA-N 1 3 260.425 3.486 20 0 CGADHO CC(C)(C)[C@H]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246487693 804357070 /nfs/dbraw/zinc/35/70/70/804357070.db2.gz FFCZUNYISFPWKK-ZNMIVQPWSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246493594 804358230 /nfs/dbraw/zinc/35/82/30/804358230.db2.gz IJCGCPHTHXVVRL-RHSMWYFYSA-N 1 3 291.483 3.243 20 0 CGADHO CC(C)[C@@H]1C[C@H](N[C@@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246508128 804367994 /nfs/dbraw/zinc/36/79/94/804367994.db2.gz DHCDNXIWTOHWRI-ZACQAIPSSA-N 1 3 292.854 3.173 20 0 CGADHO CCCCCC[C@@H](C)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246515090 804369250 /nfs/dbraw/zinc/36/92/50/804369250.db2.gz JLDNUGKYZJLQBS-CJNGLKHVSA-N 1 3 252.446 3.323 20 0 CGADHO CC1(C)C[C@H]([NH2+]C2CCc3ccccc3CC2)CCN1 ZINC001246514727 804370518 /nfs/dbraw/zinc/37/05/18/804370518.db2.gz KRTMLJJISFDQTK-QGZVFWFLSA-N 1 3 272.436 3.054 20 0 CGADHO CC(C)[C@H]([NH2+]C1CCC(C(C)C)CC1)C1CNC1 ZINC001246518122 804372627 /nfs/dbraw/zinc/37/26/27/804372627.db2.gz OIRLKXOIXCBWHQ-BCLQGDPASA-N 1 3 252.446 3.035 20 0 CGADHO CC[C@@H]1C[C@@H](N(Cc2ccccc2)C(C)C)CC[NH2+]1 ZINC001246520660 804373840 /nfs/dbraw/zinc/37/38/40/804373840.db2.gz USSUAZGNVCHSKX-SJORKVTESA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520660 804373847 /nfs/dbraw/zinc/37/38/47/804373847.db2.gz USSUAZGNVCHSKX-SJORKVTESA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)C)CCN1 ZINC001246520660 804373855 /nfs/dbraw/zinc/37/38/55/804373855.db2.gz USSUAZGNVCHSKX-SJORKVTESA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@H]([NH2+]C1CCC(Cc2ccccc2)CC1)C1CNC1 ZINC001246520085 804374834 /nfs/dbraw/zinc/37/48/34/804374834.db2.gz UVUAKQRRAJECBV-KVZIAJEVSA-N 1 3 286.463 3.376 20 0 CGADHO CCC[N@H+](CC1CC1)C1C[C@H](CC)N[C@@H](CC)C1 ZINC001246531072 804384399 /nfs/dbraw/zinc/38/43/99/804384399.db2.gz MLPJZSZSDSEBNW-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[N@@H+](CC1CC1)C1C[C@H](CC)N[C@@H](CC)C1 ZINC001246531072 804384407 /nfs/dbraw/zinc/38/44/07/804384407.db2.gz MLPJZSZSDSEBNW-GJZGRUSLSA-N 1 3 252.446 3.418 20 0 CGADHO c1ccc([C@H]2CCCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246546615 804396082 /nfs/dbraw/zinc/39/60/82/804396082.db2.gz AUAOCOJMKFUYBN-UJJTZGENSA-N 1 3 270.420 3.497 20 0 CGADHO C[C@@H]1c2ccccc2CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246548989 804399154 /nfs/dbraw/zinc/39/91/54/804399154.db2.gz ORVJIOMUZHXWDO-HIFRSBDPSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246561800 804410348 /nfs/dbraw/zinc/41/03/48/804410348.db2.gz GIDAEVJDSWWZAQ-BHYGNILZSA-N 1 3 260.425 3.067 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246561800 804410351 /nfs/dbraw/zinc/41/03/51/804410351.db2.gz GIDAEVJDSWWZAQ-BHYGNILZSA-N 1 3 260.425 3.067 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246562694 804412355 /nfs/dbraw/zinc/41/23/55/804412355.db2.gz YVYSOCAYLRXYBR-JWTNVVGKSA-N 1 3 270.420 3.204 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246562694 804412357 /nfs/dbraw/zinc/41/23/57/804412357.db2.gz YVYSOCAYLRXYBR-JWTNVVGKSA-N 1 3 270.420 3.204 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246565150 804413627 /nfs/dbraw/zinc/41/36/27/804413627.db2.gz OQGAXFABQRQSTH-BPQIPLTHSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)[C@H]1C ZINC001246565150 804413633 /nfs/dbraw/zinc/41/36/33/804413633.db2.gz OQGAXFABQRQSTH-BPQIPLTHSA-N 1 3 274.452 3.457 20 0 CGADHO C[C@H]1CN(C2C[C@H](C)[NH2+][C@@H](C)C2)Cc2ccccc21 ZINC001246598689 804438905 /nfs/dbraw/zinc/43/89/05/804438905.db2.gz OIGIEGMGOVQVNV-IHRRRGAJSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@H]1C[N@@H+](C2C[C@H](C)N[C@@H](C)C2)Cc2ccccc21 ZINC001246598689 804438906 /nfs/dbraw/zinc/43/89/06/804438906.db2.gz OIGIEGMGOVQVNV-IHRRRGAJSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@H]1C[N@H+](C2C[C@H](C)N[C@@H](C)C2)Cc2ccccc21 ZINC001246598689 804438907 /nfs/dbraw/zinc/43/89/07/804438907.db2.gz OIGIEGMGOVQVNV-IHRRRGAJSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C1 ZINC001246610534 804444423 /nfs/dbraw/zinc/44/44/23/804444423.db2.gz BPUVHZFGAOKZQA-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@]3(CCCCN3)C2)C1 ZINC001246610534 804444425 /nfs/dbraw/zinc/44/44/25/804444425.db2.gz BPUVHZFGAOKZQA-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@]3(CCCCN3)C2)C1 ZINC001246610534 804444427 /nfs/dbraw/zinc/44/44/27/804444427.db2.gz BPUVHZFGAOKZQA-BZUAXINKSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1C[C@H](N2CC[C@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246612396 804447647 /nfs/dbraw/zinc/44/76/47/804447647.db2.gz GTCUXSOLLAAFEA-IJEWVQPXSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@]4(C3)CCCNC4)C2)cc1 ZINC001246613879 804448519 /nfs/dbraw/zinc/44/85/19/804448519.db2.gz ZJEYLJGIXLHPLR-QYZOEREBSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@]4(C3)CCCNC4)C2)cc1 ZINC001246613879 804448522 /nfs/dbraw/zinc/44/85/22/804448522.db2.gz ZJEYLJGIXLHPLR-QYZOEREBSA-N 1 3 284.447 3.398 20 0 CGADHO C1CCC2(C1)CCC([N@@H+]1CC[C@H]3CNCC[C@H]31)CC2 ZINC001246618523 804452245 /nfs/dbraw/zinc/45/22/45/804452245.db2.gz GYQYDNMCHKDMOP-GOEBONIOSA-N 1 3 262.441 3.173 20 0 CGADHO C1CCC2(C1)CCC([N@H+]1CC[C@H]3CNCC[C@H]31)CC2 ZINC001246618523 804452248 /nfs/dbraw/zinc/45/22/48/804452248.db2.gz GYQYDNMCHKDMOP-GOEBONIOSA-N 1 3 262.441 3.173 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N3CC[C@@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246627855 804458989 /nfs/dbraw/zinc/45/89/89/804458989.db2.gz AOZUEHCJBNRLAL-VSZNYVQBSA-N 1 3 270.420 3.149 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629240 804460348 /nfs/dbraw/zinc/46/03/48/804460348.db2.gz YGYYBACHQSQONF-YHUYYLMFSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629240 804460352 /nfs/dbraw/zinc/46/03/52/804460352.db2.gz YGYYBACHQSQONF-YHUYYLMFSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H]1C[C@H](N2CCCC[C@]23CC[NH2+]C3)C[C@@H](C)C1 ZINC001246641762 804469245 /nfs/dbraw/zinc/46/92/45/804469245.db2.gz FLQGRPIPABXJBQ-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCc4ccccc43)CC2)CCN1 ZINC001246641886 804469275 /nfs/dbraw/zinc/46/92/75/804469275.db2.gz AHEBRRWGLUVILO-WBVHZDCISA-N 1 3 284.447 3.107 20 0 CGADHO [NH3+]CC12CC(C1)CN2C1CCC(c2ccccc2)CC1 ZINC001246643874 804470018 /nfs/dbraw/zinc/47/00/18/804470018.db2.gz FCDXYRUKYXQYAB-UHFFFAOYSA-N 1 3 270.420 3.136 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246644230 804472581 /nfs/dbraw/zinc/47/25/81/804472581.db2.gz XSQXSLLLHDLKGR-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@H+]1CCC12CCNCC2 ZINC001246644230 804472585 /nfs/dbraw/zinc/47/25/85/804472585.db2.gz XSQXSLLLHDLKGR-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC(C)(C)C1 ZINC001246688711 804497668 /nfs/dbraw/zinc/49/76/68/804497668.db2.gz HFTXLFOKSWPOJJ-JYYAWHABSA-N 1 3 282.447 3.225 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC(C)(C)C1 ZINC001246688711 804497672 /nfs/dbraw/zinc/49/76/72/804497672.db2.gz HFTXLFOKSWPOJJ-JYYAWHABSA-N 1 3 282.447 3.225 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246692215 804499669 /nfs/dbraw/zinc/49/96/69/804499669.db2.gz NBFNJSNSPUMTGC-VGWMRTNUSA-N 1 3 270.436 3.225 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246692215 804499673 /nfs/dbraw/zinc/49/96/73/804499673.db2.gz NBFNJSNSPUMTGC-VGWMRTNUSA-N 1 3 270.436 3.225 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774642 804504515 /nfs/dbraw/zinc/50/45/15/804504515.db2.gz GBCFVQRPYGIPGM-WMLDXEAASA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@H]([N@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774642 804504517 /nfs/dbraw/zinc/50/45/17/804504517.db2.gz GBCFVQRPYGIPGM-WMLDXEAASA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774642 804504521 /nfs/dbraw/zinc/50/45/21/804504521.db2.gz GBCFVQRPYGIPGM-WMLDXEAASA-N 1 3 268.404 3.412 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246779477 804506283 /nfs/dbraw/zinc/50/62/83/804506283.db2.gz HUXWDHPWTQIVER-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246779477 804506291 /nfs/dbraw/zinc/50/62/91/804506291.db2.gz HUXWDHPWTQIVER-IRXDYDNUSA-N 1 3 260.425 3.069 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2CCOC)CCN1 ZINC001246785596 804511665 /nfs/dbraw/zinc/51/16/65/804511665.db2.gz KRMPAVFJQAPHBZ-ZACQAIPSSA-N 1 3 282.472 3.188 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2CCOC)CCN1 ZINC001246785596 804511668 /nfs/dbraw/zinc/51/16/68/804511668.db2.gz KRMPAVFJQAPHBZ-ZACQAIPSSA-N 1 3 282.472 3.188 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2CCOC)CCN1 ZINC001246785595 804512071 /nfs/dbraw/zinc/51/20/71/804512071.db2.gz KRMPAVFJQAPHBZ-IXDOHACOSA-N 1 3 282.472 3.188 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2CCOC)CCN1 ZINC001246785595 804512072 /nfs/dbraw/zinc/51/20/72/804512072.db2.gz KRMPAVFJQAPHBZ-IXDOHACOSA-N 1 3 282.472 3.188 20 0 CGADHO COc1ccccc1[C@H]1CCCN1[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246791072 804512936 /nfs/dbraw/zinc/51/29/36/804512936.db2.gz JEELNKAYQWBSFF-JYYAWHABSA-N 1 3 288.435 3.361 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@@H]2C)CCN1 ZINC001246792278 804514849 /nfs/dbraw/zinc/51/48/49/804514849.db2.gz UHYZCIULRFSFGY-QKPAOTATSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)CCN1 ZINC001246792278 804514854 /nfs/dbraw/zinc/51/48/54/804514854.db2.gz UHYZCIULRFSFGY-QKPAOTATSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246791695 804515629 /nfs/dbraw/zinc/51/56/29/804515629.db2.gz LRYLKZSXDJALFU-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246791695 804515631 /nfs/dbraw/zinc/51/56/31/804515631.db2.gz LRYLKZSXDJALFU-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N1CCCC2(C[NH2+]C2)C1 ZINC001246791695 804515636 /nfs/dbraw/zinc/51/56/36/804515636.db2.gz LRYLKZSXDJALFU-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@H](Cc1ccccc1)N1CCC([NH2+]C)CC1 ZINC001246805927 804525192 /nfs/dbraw/zinc/52/51/92/804525192.db2.gz LMBORLGXYPDXGJ-QGZVFWFLSA-N 1 3 260.425 3.082 20 0 CGADHO CCC[C@@H](Cc1ccccc1)N1CCC([NH2+]CC)CC1 ZINC001246808842 804526896 /nfs/dbraw/zinc/52/68/96/804526896.db2.gz UEMBJSOGXZASAF-SFHVURJKSA-N 1 3 274.452 3.472 20 0 CGADHO CN(CCc1ccc(F)cc1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246825587 804539491 /nfs/dbraw/zinc/53/94/91/804539491.db2.gz VVIHICFFAPZNNZ-IAGOWNOFSA-N 1 3 292.442 3.467 20 0 CGADHO CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246841877 804550094 /nfs/dbraw/zinc/55/00/94/804550094.db2.gz PHHVPFNXLFLUDB-DZGCQCFKSA-N 1 3 292.854 3.129 20 0 CGADHO C1[C@@H]2CCNC[C@@H]2C[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849315 804559921 /nfs/dbraw/zinc/55/99/21/804559921.db2.gz ZPWFZAZVRSCURZ-JKSUJKDBSA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@@H]2CCNC[C@@H]2C[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246849315 804559926 /nfs/dbraw/zinc/55/99/26/804559926.db2.gz ZPWFZAZVRSCURZ-JKSUJKDBSA-N 1 3 276.468 3.421 20 0 CGADHO c1ccc(C2CCC([N@@H+]3C[C@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246849236 804560402 /nfs/dbraw/zinc/56/04/02/804560402.db2.gz ZCVQAWAABWKEHR-IAFLDTSXSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc(C2CCC([N@H+]3C[C@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246849236 804560407 /nfs/dbraw/zinc/56/04/07/804560407.db2.gz ZCVQAWAABWKEHR-IAFLDTSXSA-N 1 3 284.447 3.254 20 0 CGADHO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246887209 804581226 /nfs/dbraw/zinc/58/12/26/804581226.db2.gz KEHYYVMXNPYYIC-SOUVJXGZSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246887209 804581227 /nfs/dbraw/zinc/58/12/27/804581227.db2.gz KEHYYVMXNPYYIC-SOUVJXGZSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)N1CCC[C@@H]1C[NH3+] ZINC001246918094 804599521 /nfs/dbraw/zinc/59/95/21/804599521.db2.gz VBEHKBWRDHUSQP-ZIAGYGMSSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@@H](CC1CC1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937356 804608205 /nfs/dbraw/zinc/60/82/05/804608205.db2.gz LJOLNIHVSPUSIT-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](CC1CC1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246937356 804608211 /nfs/dbraw/zinc/60/82/11/804608211.db2.gz LJOLNIHVSPUSIT-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO CSCC[C@@H](C)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246939782 804610809 /nfs/dbraw/zinc/61/08/09/804610809.db2.gz VHAQLFTYIMFMSJ-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO CSCC[C@@H](C)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001246939782 804610813 /nfs/dbraw/zinc/61/08/13/804610813.db2.gz VHAQLFTYIMFMSJ-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941938 804611904 /nfs/dbraw/zinc/61/19/04/804611904.db2.gz MRYLMGRVSPHQNY-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941938 804611908 /nfs/dbraw/zinc/61/19/08/804611908.db2.gz MRYLMGRVSPHQNY-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246972502 804623070 /nfs/dbraw/zinc/62/30/70/804623070.db2.gz JYQOYRBSRARPCD-KBPBESRZSA-N 1 3 284.513 3.371 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246972502 804623073 /nfs/dbraw/zinc/62/30/73/804623073.db2.gz JYQOYRBSRARPCD-KBPBESRZSA-N 1 3 284.513 3.371 20 0 CGADHO CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CSc2ccccc2C1 ZINC001246997155 804633352 /nfs/dbraw/zinc/63/33/52/804633352.db2.gz VOVFNASMBFKEPF-GOEBONIOSA-N 1 3 290.476 3.025 20 0 CGADHO C1CC2(C1)C[C@@H]([N@@H+]1CCC3(C1)CCCCC3)CCN2 ZINC001246999079 804634549 /nfs/dbraw/zinc/63/45/49/804634549.db2.gz QIVJPROYKWBVIW-HNNXBMFYSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC2(C1)C[C@@H]([N@H+]1CCC3(C1)CCCCC3)CCN2 ZINC001246999079 804634555 /nfs/dbraw/zinc/63/45/55/804634555.db2.gz QIVJPROYKWBVIW-HNNXBMFYSA-N 1 3 262.441 3.317 20 0 CGADHO C[NH2+]CC[C@@H](C)N(C)CCc1ccc(C(F)(F)F)cc1 ZINC001247003648 804635740 /nfs/dbraw/zinc/63/57/40/804635740.db2.gz XFQXNWRLIWERCN-GFCCVEGCSA-N 1 3 288.357 3.178 20 0 CGADHO CC(C)[C@@H]1C[C@H](N(C)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002172 804636164 /nfs/dbraw/zinc/63/61/64/804636164.db2.gz SBIOWFUVXSPPIM-NJAFHUGGSA-N 1 3 272.436 3.382 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015252 804643760 /nfs/dbraw/zinc/64/37/60/804643760.db2.gz NQLWBJCUBVLSMJ-QXAKKESOSA-N 1 3 286.463 3.390 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@@H]3NCCC[C@H]3C1)CC2 ZINC001247016383 804645057 /nfs/dbraw/zinc/64/50/57/804645057.db2.gz UPCFOHQFQYXCQD-HKUYNNGSSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3NCCC[C@H]3C1)CC2 ZINC001247016383 804645060 /nfs/dbraw/zinc/64/50/60/804645060.db2.gz UPCFOHQFQYXCQD-HKUYNNGSSA-N 1 3 284.447 3.008 20 0 CGADHO C[NH+](C)CC1CCN(Cc2c3ccoc3ccc2F)CC1 ZINC001248539644 804945930 /nfs/dbraw/zinc/94/59/30/804945930.db2.gz RBONJMVFJJTLEU-UHFFFAOYSA-N 1 3 290.382 3.346 20 0 CGADHO CCC(CC)N1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC001257901842 807247399 /nfs/dbraw/zinc/24/73/99/807247399.db2.gz MHCWOLDAGCWWSQ-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CN1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC001258002200 807262938 /nfs/dbraw/zinc/26/29/38/807262938.db2.gz AZKOWQPQUHBZEV-UHFFFAOYSA-N 1 3 272.436 3.386 20 0 CGADHO C1=C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167975095 807291490 /nfs/dbraw/zinc/29/14/90/807291490.db2.gz GXDSJBIKCXPOQB-MGNMYUMUSA-N 1 3 260.425 3.090 20 0 CGADHO C1=C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167975095 807291492 /nfs/dbraw/zinc/29/14/92/807291492.db2.gz GXDSJBIKCXPOQB-MGNMYUMUSA-N 1 3 260.425 3.090 20 0 CGADHO CC[NH+]1C[C@@H]2CN([C@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168191496 807342230 /nfs/dbraw/zinc/34/22/30/807342230.db2.gz FUKZHTWHXDKSPT-FVQBIDKESA-N 1 3 292.854 3.155 20 0 CGADHO C1CN([C@@H]2CC[C@@H]([NH2+]C3CCCCCCC3)CC2)CCO1 ZINC001258237194 807382843 /nfs/dbraw/zinc/38/28/43/807382843.db2.gz DLBLVINNBUXFQT-IYARVYRRSA-N 1 3 294.483 3.332 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C3CCCCCCC3)C[C@H]2C1 ZINC001258244075 807387130 /nfs/dbraw/zinc/38/71/30/807387130.db2.gz MXGPKFBYLWLQAW-HZPDHXFCSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1ccc([C@H]([NH2+]C2CCN(CC3CC3)CC2)C2CC2)nc1 ZINC001168368140 807395177 /nfs/dbraw/zinc/39/51/77/807395177.db2.gz AUYZARVANRIEBH-LJQANCHMSA-N 1 3 299.462 3.305 20 0 CGADHO C[C@@H]1CCN(C2CC[NH+](CC3CC3)CC2)CCC1(F)F ZINC001168372838 807397213 /nfs/dbraw/zinc/39/72/13/807397213.db2.gz LSMLDJYTTQQCII-CYBMUJFWSA-N 1 3 286.410 3.228 20 0 CGADHO CC[N@H+](C)C1CCN([C@@H](C)CC(C)(C)SC)CC1 ZINC001258350063 807423904 /nfs/dbraw/zinc/42/39/04/807423904.db2.gz VMBUVLCEGSQMSQ-ZDUSSCGKSA-N 1 3 272.502 3.323 20 0 CGADHO CC[N@@H+](C)C1CCN([C@@H](C)CC(C)(C)SC)CC1 ZINC001258350063 807423905 /nfs/dbraw/zinc/42/39/05/807423905.db2.gz VMBUVLCEGSQMSQ-ZDUSSCGKSA-N 1 3 272.502 3.323 20 0 CGADHO CCN(C)C1CC[NH+]([C@@H](C)CC(C)(C)SC)CC1 ZINC001258350063 807423908 /nfs/dbraw/zinc/42/39/08/807423908.db2.gz VMBUVLCEGSQMSQ-ZDUSSCGKSA-N 1 3 272.502 3.323 20 0 CGADHO CCCCC(CCCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258380557 807432945 /nfs/dbraw/zinc/43/29/45/807432945.db2.gz KJEVBSWFJCVOKN-UHFFFAOYSA-N 1 3 297.531 3.351 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H](C)CC1CC1 ZINC001258453498 807459613 /nfs/dbraw/zinc/45/96/13/807459613.db2.gz AZZBMWHERDOTRM-HUUCEWRRSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H](C)CC1CC1 ZINC001258453498 807459618 /nfs/dbraw/zinc/45/96/18/807459618.db2.gz AZZBMWHERDOTRM-HUUCEWRRSA-N 1 3 260.425 3.272 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCN1C ZINC001258651250 807523093 /nfs/dbraw/zinc/52/30/93/807523093.db2.gz LSQJDSNQZGPOLV-ZWKOTPCHSA-N 1 3 274.452 3.472 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258657703 807527742 /nfs/dbraw/zinc/52/77/42/807527742.db2.gz ZOFSLVWGEHSQQR-QYZOEREBSA-N 1 3 286.463 3.281 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258657703 807527746 /nfs/dbraw/zinc/52/77/46/807527746.db2.gz ZOFSLVWGEHSQQR-QYZOEREBSA-N 1 3 286.463 3.281 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC001169091755 807572340 /nfs/dbraw/zinc/57/23/40/807572340.db2.gz UUSWFBAPFUCHNI-ZSOGYDGISA-N 1 3 294.826 3.063 20 0 CGADHO Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169096917 807575080 /nfs/dbraw/zinc/57/50/80/807575080.db2.gz ZTSUHLNOGVULDS-OSYLJGHBSA-N 1 3 258.409 3.018 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169101547 807578221 /nfs/dbraw/zinc/57/82/21/807578221.db2.gz UFIKJFKVXWAGGZ-CUSZFKRNSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101547 807578224 /nfs/dbraw/zinc/57/82/24/807578224.db2.gz UFIKJFKVXWAGGZ-CUSZFKRNSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152894 807594347 /nfs/dbraw/zinc/59/43/47/807594347.db2.gz GGWPAPUCQGDSNU-MHORFTMASA-N 1 3 285.435 3.152 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152894 807594351 /nfs/dbraw/zinc/59/43/51/807594351.db2.gz GGWPAPUCQGDSNU-MHORFTMASA-N 1 3 285.435 3.152 20 0 CGADHO CCC[NH+]1CCC(n2c3ccccc3nc2[C@H](C)N)CC1 ZINC001258768066 807603794 /nfs/dbraw/zinc/60/37/94/807603794.db2.gz VZGHLHSCYJMNDA-ZDUSSCGKSA-N 1 3 286.423 3.103 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258787460 807613103 /nfs/dbraw/zinc/61/31/03/807613103.db2.gz UFMJLKXPSQOOIF-XSLAGTTESA-N 1 3 296.499 3.434 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cn(CC(C)C)cn1 ZINC001258905254 807671310 /nfs/dbraw/zinc/67/13/10/807671310.db2.gz QNPLNWUTLWIRRQ-INIZCTEOSA-N 1 3 294.487 3.139 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001170110329 807760307 /nfs/dbraw/zinc/76/03/07/807760307.db2.gz XELJRNQTIQTFPK-STQMWFEESA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CC[C@@H](N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170157687 807780030 /nfs/dbraw/zinc/78/00/30/807780030.db2.gz LLFIYLXTKHRECX-HUUCEWRRSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCO1 ZINC001170179550 807787499 /nfs/dbraw/zinc/78/74/99/807787499.db2.gz WNAHFDIFLOTOCS-UKRRQHHQSA-N 1 3 282.472 3.185 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171014714 807960455 /nfs/dbraw/zinc/96/04/55/807960455.db2.gz VCYGDZLBZAPHPS-AWEZNQCLSA-N 1 3 280.843 3.257 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171014714 807960459 /nfs/dbraw/zinc/96/04/59/807960459.db2.gz VCYGDZLBZAPHPS-AWEZNQCLSA-N 1 3 280.843 3.257 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171398618 808045140 /nfs/dbraw/zinc/04/51/40/808045140.db2.gz YZHLPNBLRMAFQN-MRXNPFEDSA-N 1 3 292.442 3.395 20 0 CGADHO CN1C(C)(C)CC([NH2+]CC2CC(F)(F)C2)CC1(C)C ZINC001171613779 808105387 /nfs/dbraw/zinc/10/53/87/808105387.db2.gz PXNMLVKCAHLDJQ-UHFFFAOYSA-N 1 3 274.399 3.273 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171773385 808134694 /nfs/dbraw/zinc/13/46/94/808134694.db2.gz KHYPRMISHQJQDY-INIZCTEOSA-N 1 3 290.426 3.005 20 0 CGADHO CC1CC[NH+](CCCN[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171773385 808134696 /nfs/dbraw/zinc/13/46/96/808134696.db2.gz KHYPRMISHQJQDY-INIZCTEOSA-N 1 3 290.426 3.005 20 0 CGADHO CC(C)COCC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC001172470186 808338160 /nfs/dbraw/zinc/33/81/60/808338160.db2.gz XGQXBFBBMSVNRX-QGZVFWFLSA-N 1 3 296.499 3.388 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)C[C@H](C)CN)C1 ZINC001172925992 808483385 /nfs/dbraw/zinc/48/33/85/808483385.db2.gz MSONWMXUFMZYIZ-KBAYOESNSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C[C@H](C)CN)C1 ZINC001172925992 808483388 /nfs/dbraw/zinc/48/33/88/808483388.db2.gz MSONWMXUFMZYIZ-KBAYOESNSA-N 1 3 290.451 3.041 20 0 CGADHO CCc1ccc(C[C@@H](C)N(C)CCC[NH+](C)C)cc1 ZINC001173252673 808558908 /nfs/dbraw/zinc/55/89/08/808558908.db2.gz NJAZLKSHBWPUFM-OAHLLOKOSA-N 1 3 262.441 3.064 20 0 CGADHO CC(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275096458 808908225 /nfs/dbraw/zinc/90/82/25/808908225.db2.gz JRLWTJIDFGLMAQ-CALCHBBNSA-N 1 3 289.467 3.205 20 0 CGADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275096458 808908230 /nfs/dbraw/zinc/90/82/30/808908230.db2.gz JRLWTJIDFGLMAQ-CALCHBBNSA-N 1 3 289.467 3.205 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCCN(Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867195 808972152 /nfs/dbraw/zinc/97/21/52/808972152.db2.gz YBRLBBIOFHADHK-IBGZPJMESA-N 1 3 297.446 3.476 20 0 CGADHO C[N@H+]1CCC[C@]2(CCCN(Cc3c[nH]c4ccccc34)C2)C1 ZINC001275867195 808972156 /nfs/dbraw/zinc/97/21/56/808972156.db2.gz YBRLBBIOFHADHK-IBGZPJMESA-N 1 3 297.446 3.476 20 0 CGADHO CSc1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC001275901866 808973672 /nfs/dbraw/zinc/97/36/72/808973672.db2.gz NCEXYPFWDHCBJD-UHFFFAOYSA-N 1 3 290.476 3.326 20 0 CGADHO CSc1ccc(CN2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275901866 808973677 /nfs/dbraw/zinc/97/36/77/808973677.db2.gz NCEXYPFWDHCBJD-UHFFFAOYSA-N 1 3 290.476 3.326 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3cccc4cccnc43)(C1)CCC2 ZINC001276782846 809031426 /nfs/dbraw/zinc/03/14/26/809031426.db2.gz JEDIAPVMBZFGBI-RBUKOAKNSA-N 1 3 295.430 3.389 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001179158768 809907222 /nfs/dbraw/zinc/90/72/22/809907222.db2.gz BJUDSBRXGVIOES-CQSZACIVSA-N 1 3 289.448 3.118 20 0 CGADHO CC[N@H+](CCCNCC1(COC)CCC1)C1CCCCC1 ZINC001182743724 810122587 /nfs/dbraw/zinc/12/25/87/810122587.db2.gz RFZPBETWXQWRHW-UHFFFAOYSA-N 1 3 296.499 3.437 20 0 CGADHO CC[N@@H+](CCCNCC1(COC)CCC1)C1CCCCC1 ZINC001182743724 810122589 /nfs/dbraw/zinc/12/25/89/810122589.db2.gz RFZPBETWXQWRHW-UHFFFAOYSA-N 1 3 296.499 3.437 20 0 CGADHO CC(C)c1ccccc1CNC[C@@H]1C[NH+]2CCC1CC2 ZINC001184136069 810178816 /nfs/dbraw/zinc/17/88/16/810178816.db2.gz ZQFXZIRCBKZYJI-QGZVFWFLSA-N 1 3 272.436 3.241 20 0 CGADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001184136069 810178818 /nfs/dbraw/zinc/17/88/18/810178818.db2.gz ZQFXZIRCBKZYJI-QGZVFWFLSA-N 1 3 272.436 3.241 20 0 CGADHO CC(C)CC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201623678 811922532 /nfs/dbraw/zinc/92/25/32/811922532.db2.gz CRYPFXSQDXWWMD-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001201623678 811922534 /nfs/dbraw/zinc/92/25/34/811922534.db2.gz CRYPFXSQDXWWMD-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201623869 811922676 /nfs/dbraw/zinc/92/26/76/811922676.db2.gz CDOLPSSGPKSTHS-JKSUJKDBSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201623869 811922685 /nfs/dbraw/zinc/92/26/85/811922685.db2.gz CDOLPSSGPKSTHS-JKSUJKDBSA-N 1 3 252.446 3.371 20 0 CGADHO C(CN1CCCC1)[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001202740048 812162870 /nfs/dbraw/zinc/16/28/70/812162870.db2.gz RTRQOAIBAGPOKJ-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO C(CN1CCCC1)[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001202740048 812162875 /nfs/dbraw/zinc/16/28/75/812162875.db2.gz RTRQOAIBAGPOKJ-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001205000230 812818134 /nfs/dbraw/zinc/81/81/34/812818134.db2.gz AYFNDXXNIIXVBI-JLJPHGGASA-N 1 3 292.854 3.375 20 0 CGADHO Cc1cc(CN2CCC(C[NH3+])CC2)cc(C)c1Cl ZINC001205057939 812841038 /nfs/dbraw/zinc/84/10/38/812841038.db2.gz AIMYGKZCHVPSPZ-UHFFFAOYSA-N 1 3 266.816 3.128 20 0 CGADHO Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)cc(C)c1OC(C)C ZINC001205087839 812855569 /nfs/dbraw/zinc/85/55/69/812855569.db2.gz JUGFKGWDFOSVMX-RDJZCZTQSA-N 1 3 290.451 3.402 20 0 CGADHO Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2CN)cc(C)c1OC(C)C ZINC001205087839 812855579 /nfs/dbraw/zinc/85/55/79/812855579.db2.gz JUGFKGWDFOSVMX-RDJZCZTQSA-N 1 3 290.451 3.402 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205117103 812874912 /nfs/dbraw/zinc/87/49/12/812874912.db2.gz KRDALPGTUMILPU-AWEZNQCLSA-N 1 3 286.341 3.327 20 0 CGADHO C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001205170732 812896933 /nfs/dbraw/zinc/89/69/33/812896933.db2.gz CCIXCPRMIRCTLM-DJIMGWMZSA-N 1 3 294.483 3.076 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1CN ZINC001205296834 812937901 /nfs/dbraw/zinc/93/79/01/812937901.db2.gz UPCYYJUODQALRN-DUFGSWQCSA-N 1 3 292.854 3.360 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1CN ZINC001205296834 812937904 /nfs/dbraw/zinc/93/79/04/812937904.db2.gz UPCYYJUODQALRN-DUFGSWQCSA-N 1 3 292.854 3.360 20 0 CGADHO C[C@H]1CCN(Cc2ccc(F)c3ccccc23)C[C@@H]1C[NH3+] ZINC001205303167 812940853 /nfs/dbraw/zinc/94/08/53/812940853.db2.gz ACLYJUKKBYJGSE-ZFWWWQNUSA-N 1 3 286.394 3.396 20 0 CGADHO Cc1cc(CN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)nc1C ZINC001205654474 813044358 /nfs/dbraw/zinc/04/43/58/813044358.db2.gz WZZLPFSGEYTQGN-BXUZGUMPSA-N 1 3 295.858 3.159 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCCC1CCCCC1 ZINC001205904744 813127578 /nfs/dbraw/zinc/12/75/78/813127578.db2.gz XCBYCVYGUIFEIL-ZBFHGGJFSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCCC1CCCCC1 ZINC001205904744 813127581 /nfs/dbraw/zinc/12/75/81/813127581.db2.gz XCBYCVYGUIFEIL-ZBFHGGJFSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc2ccsc2c1 ZINC001205913212 813129789 /nfs/dbraw/zinc/12/97/89/813129789.db2.gz HPPXZQLAYQASGO-IUODEOHRSA-N 1 3 274.433 3.461 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCC[C@@H](N)C2)c2ccccc12 ZINC001205930789 813137975 /nfs/dbraw/zinc/13/79/75/813137975.db2.gz DJHSONSOHVLFPW-MRXNPFEDSA-N 1 3 268.404 3.461 20 0 CGADHO Cc1ccc(C[N@H+]2CCCC[C@@H](N)C2)c2ccccc12 ZINC001205930789 813137979 /nfs/dbraw/zinc/13/79/79/813137979.db2.gz DJHSONSOHVLFPW-MRXNPFEDSA-N 1 3 268.404 3.461 20 0 CGADHO C[C@@H]1CN(Cc2c(F)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205984990 813152543 /nfs/dbraw/zinc/15/25/43/813152543.db2.gz UPUOVHIIYPICJG-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2c(F)cccc2Cl)CCC[C@@H]1C[NH3+] ZINC001205984731 813153050 /nfs/dbraw/zinc/15/30/50/813153050.db2.gz UPUOVHIIYPICJG-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC001205996344 813158208 /nfs/dbraw/zinc/15/82/08/813158208.db2.gz WHRWMKBWGLVVNB-OLZOCXBDSA-N 1 3 282.378 3.080 20 0 CGADHO Cc1cc(F)c(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC001206023168 813168571 /nfs/dbraw/zinc/16/85/71/813168571.db2.gz DKVPIIXMZMUYHG-OLZOCXBDSA-N 1 3 282.378 3.080 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CCNC[C@@H](C)C2)c(C)c1C ZINC001206278162 813268502 /nfs/dbraw/zinc/26/85/02/813268502.db2.gz ZIZUZJFWXSOZRS-GFCCVEGCSA-N 1 3 274.452 3.270 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CCNC[C@@H](C)C2)c(C)c1C ZINC001206278162 813268507 /nfs/dbraw/zinc/26/85/07/813268507.db2.gz ZIZUZJFWXSOZRS-GFCCVEGCSA-N 1 3 274.452 3.270 20 0 CGADHO Cc1cccc(CN2CCC(CC[NH3+])CC2)c1Cl ZINC001206506825 813339274 /nfs/dbraw/zinc/33/92/74/813339274.db2.gz ROVFOVAGMWYULO-UHFFFAOYSA-N 1 3 266.816 3.209 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc3occc3c2)C1 ZINC001206549410 813347669 /nfs/dbraw/zinc/34/76/69/813347669.db2.gz MMMRXXDAPTZVPE-KRWDZBQOSA-N 1 3 272.392 3.384 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc3ncccc3c2)C1 ZINC001206549370 813347816 /nfs/dbraw/zinc/34/78/16/813347816.db2.gz MBCFDPZBIHPMKH-SFHVURJKSA-N 1 3 283.419 3.186 20 0 CGADHO Cc1sccc1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206573872 813358831 /nfs/dbraw/zinc/35/88/31/813358831.db2.gz ONIXHFSCDVQKSJ-CQSZACIVSA-N 1 3 252.427 3.007 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCCC[C@H](CN)C2)C1(C)C ZINC001206606247 813371840 /nfs/dbraw/zinc/37/18/40/813371840.db2.gz IBKZYNURLBKXOQ-HZPDHXFCSA-N 1 3 264.457 3.430 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCCC[C@H](CN)C2)C1(C)C ZINC001206606247 813371847 /nfs/dbraw/zinc/37/18/47/813371847.db2.gz IBKZYNURLBKXOQ-HZPDHXFCSA-N 1 3 264.457 3.430 20 0 CGADHO NC[C@@H]1CCCC[N@H+](CCCCOCc2ccccc2)C1 ZINC001206607187 813373058 /nfs/dbraw/zinc/37/30/58/813373058.db2.gz XLRYOLFGXBHORC-SFHVURJKSA-N 1 3 290.451 3.044 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206607187 813373066 /nfs/dbraw/zinc/37/30/66/813373066.db2.gz XLRYOLFGXBHORC-SFHVURJKSA-N 1 3 290.451 3.044 20 0 CGADHO CCc1cc(CN2CCCC[C@@H](C[NH3+])C2)cc(CC)c1O ZINC001206632300 813381356 /nfs/dbraw/zinc/38/13/56/813381356.db2.gz IVWXVVIULSRAKI-AWEZNQCLSA-N 1 3 290.451 3.078 20 0 CGADHO CSc1cc(C)cc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206648144 813387051 /nfs/dbraw/zinc/38/70/51/813387051.db2.gz MFXCPANZABIUIX-AWEZNQCLSA-N 1 3 278.465 3.278 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H](CN)CC[C@H]2C)CC1 ZINC001206760712 813425304 /nfs/dbraw/zinc/42/53/04/813425304.db2.gz KLPCVBWMXUACEU-JJXSEGSLSA-N 1 3 250.430 3.038 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H](CN)CC[C@H]2C)CC1 ZINC001206760712 813425309 /nfs/dbraw/zinc/42/53/09/813425309.db2.gz KLPCVBWMXUACEU-JJXSEGSLSA-N 1 3 250.430 3.038 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206761323 813425750 /nfs/dbraw/zinc/42/57/50/813425750.db2.gz WWLOZTGXIVBBQY-PMPSAXMXSA-N 1 3 284.488 3.013 20 0 CGADHO C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206761323 813425755 /nfs/dbraw/zinc/42/57/55/813425755.db2.gz WWLOZTGXIVBBQY-PMPSAXMXSA-N 1 3 284.488 3.013 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001206760747 813426241 /nfs/dbraw/zinc/42/62/41/813426241.db2.gz LCNKYGVRAXSDCJ-RDJZCZTQSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2C[C@H](CN)CC[C@@H]2C)cc1 ZINC001206760747 813426244 /nfs/dbraw/zinc/42/62/44/813426244.db2.gz LCNKYGVRAXSDCJ-RDJZCZTQSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206760747 813426249 /nfs/dbraw/zinc/42/62/49/813426249.db2.gz LCNKYGVRAXSDCJ-RDJZCZTQSA-N 1 3 274.452 3.412 20 0 CGADHO CN(CC(C)(C)C[NH+](C)C)[C@H]1CCc2ccccc21 ZINC001207283639 813533420 /nfs/dbraw/zinc/53/34/20/813533420.db2.gz BPXIREIKTAOZJW-INIZCTEOSA-N 1 3 260.425 3.194 20 0 CGADHO COc1ccc(C[N@H+](C)CC(C)(C)CN(C)C)c(C)c1 ZINC001207738993 813643072 /nfs/dbraw/zinc/64/30/72/813643072.db2.gz TVHUOEPWADJZRV-UHFFFAOYSA-N 1 3 278.440 3.023 20 0 CGADHO COc1ccc(C[N@@H+](C)CC(C)(C)CN(C)C)c(C)c1 ZINC001207738993 813643075 /nfs/dbraw/zinc/64/30/75/813643075.db2.gz TVHUOEPWADJZRV-UHFFFAOYSA-N 1 3 278.440 3.023 20 0 CGADHO COc1cccc(C[N@H+](C)CC2(CN(C)C)CCCC2)c1 ZINC001208191103 813737014 /nfs/dbraw/zinc/73/70/14/813737014.db2.gz KPOWXBNQNNSGTA-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO COc1cccc(C[N@@H+](C)CC2(CN(C)C)CCCC2)c1 ZINC001208191103 813737021 /nfs/dbraw/zinc/73/70/21/813737021.db2.gz KPOWXBNQNNSGTA-UHFFFAOYSA-N 1 3 290.451 3.249 20 0 CGADHO CC(C)=CCCC1=CC[C@H](CN2CC(C[NH3+])C2)CC1 ZINC001210543775 814517275 /nfs/dbraw/zinc/51/72/75/814517275.db2.gz IDZYVNYNDPIASZ-INIZCTEOSA-N 1 3 262.441 3.350 20 0 CGADHO Cc1ccc(Cl)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC001222623840 816481932 /nfs/dbraw/zinc/48/19/32/816481932.db2.gz OAJHOPWHTAMOPZ-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO Cc1sc2ccccc2c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001231648444 818147014 /nfs/dbraw/zinc/14/70/14/818147014.db2.gz DURXGGDTDPNCKE-OKILXGFUSA-N 1 3 286.444 3.203 20 0 CGADHO Cc1sc2ccccc2c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001231648444 818147018 /nfs/dbraw/zinc/14/70/18/818147018.db2.gz DURXGGDTDPNCKE-OKILXGFUSA-N 1 3 286.444 3.203 20 0 CGADHO CCCCc1ccc(C[N@H+]2C[C@H]3CN(CC)C[C@H]3C2)cc1 ZINC001231784251 818174282 /nfs/dbraw/zinc/17/42/82/818174282.db2.gz TZNORJKVKRQVBY-KDURUIRLSA-N 1 3 286.463 3.413 20 0 CGADHO CCCCc1ccc(C[N@@H+]2C[C@H]3CN(CC)C[C@H]3C2)cc1 ZINC001231784251 818174287 /nfs/dbraw/zinc/17/42/87/818174287.db2.gz TZNORJKVKRQVBY-KDURUIRLSA-N 1 3 286.463 3.413 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c[nH]ccc-3n2)C[C@H]1C ZINC001232010769 818233874 /nfs/dbraw/zinc/23/38/74/818233874.db2.gz AAPNSZHVIYHOGU-CHWSQXEVSA-N 1 3 257.381 3.431 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c[nH]ccc-3n2)C[C@H]1C ZINC001232010769 818233878 /nfs/dbraw/zinc/23/38/78/818233878.db2.gz AAPNSZHVIYHOGU-CHWSQXEVSA-N 1 3 257.381 3.431 20 0 CGADHO CC/C=C\CCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980448 818970812 /nfs/dbraw/zinc/97/08/12/818970812.db2.gz XLPKKESEGOVMNS-SSGMOAHOSA-N 1 3 250.430 3.054 20 0 CGADHO c1ccc(CCCCN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234994906 818972731 /nfs/dbraw/zinc/97/27/31/818972731.db2.gz UELVFMJLCBYERL-GOSISDBHSA-N 1 3 272.436 3.085 20 0 CGADHO Cc1sc2ccccc2c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031183 818985054 /nfs/dbraw/zinc/98/50/54/818985054.db2.gz DGRQYQSMKANMJL-QGZVFWFLSA-N 1 3 286.444 3.395 20 0 CGADHO Cc1ccc(CCCN2CCC[C@]3(CCC[NH2+]3)CC2)o1 ZINC001235037116 818986761 /nfs/dbraw/zinc/98/67/61/818986761.db2.gz CHJZMMKWRVIXPR-QGZVFWFLSA-N 1 3 276.424 3.129 20 0 CGADHO Clc1cccc(CCC[N@@H+]2CCCC23CCNCC3)c1 ZINC001235140904 819015106 /nfs/dbraw/zinc/01/51/06/819015106.db2.gz OYXXVXHFKAHAMO-UHFFFAOYSA-N 1 3 292.854 3.491 20 0 CGADHO Clc1cccc(CCC[N@H+]2CCCC23CCNCC3)c1 ZINC001235140904 819015111 /nfs/dbraw/zinc/01/51/11/819015111.db2.gz OYXXVXHFKAHAMO-UHFFFAOYSA-N 1 3 292.854 3.491 20 0 CGADHO CC(C)=CCCC1=CC[C@@H](C[N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001235210602 819037455 /nfs/dbraw/zinc/03/74/55/819037455.db2.gz OLUIYJKCVDHIDJ-BDXSIMOUSA-N 1 3 274.452 3.348 20 0 CGADHO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001235210602 819037461 /nfs/dbraw/zinc/03/74/61/819037461.db2.gz OLUIYJKCVDHIDJ-BDXSIMOUSA-N 1 3 274.452 3.348 20 0 CGADHO [NH3+][C@H]1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235257206 819053778 /nfs/dbraw/zinc/05/37/78/819053778.db2.gz WVCDDQSEOKBJDZ-WDSOQIARSA-N 1 3 296.389 3.414 20 0 CGADHO Cc1ccc(Cl)c(CN2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235339373 819070936 /nfs/dbraw/zinc/07/09/36/819070936.db2.gz JSERQTCHDHIZBE-UHFFFAOYSA-N 1 3 278.827 3.080 20 0 CGADHO Cc1cc(CN2CC[C@H](C3C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001235342525 819072457 /nfs/dbraw/zinc/07/24/57/819072457.db2.gz WPJVVXGVTANXNY-NSHDSACASA-N 1 3 299.245 3.343 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F)CC(C)(C)C ZINC001235402344 819086141 /nfs/dbraw/zinc/08/61/41/819086141.db2.gz IYGIUFZEOUNFOZ-HLLBOEOZSA-N 1 3 284.463 3.472 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F)CC(C)(C)C ZINC001235402344 819086146 /nfs/dbraw/zinc/08/61/46/819086146.db2.gz IYGIUFZEOUNFOZ-HLLBOEOZSA-N 1 3 284.463 3.472 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235406898 819088640 /nfs/dbraw/zinc/08/86/40/819088640.db2.gz RITROZPYWVXYRQ-ROUUACIJSA-N 1 3 288.410 3.088 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406898 819088646 /nfs/dbraw/zinc/08/86/46/819088646.db2.gz RITROZPYWVXYRQ-ROUUACIJSA-N 1 3 288.410 3.088 20 0 CGADHO CN(Cc1ccc(F)c(Cl)c1F)CC1CC[NH2+]CC1 ZINC001235433472 819095790 /nfs/dbraw/zinc/09/57/90/819095790.db2.gz IWNZPTWFGVOMRR-UHFFFAOYSA-N 1 3 288.769 3.050 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@H+](C)CCCN)cc1 ZINC001235435193 819098608 /nfs/dbraw/zinc/09/86/08/819098608.db2.gz CBZCYIAVBTXYIW-OAHLLOKOSA-N 1 3 262.441 3.269 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)C[N@@H+](C)CCCN)cc1 ZINC001235435193 819098610 /nfs/dbraw/zinc/09/86/10/819098610.db2.gz CBZCYIAVBTXYIW-OAHLLOKOSA-N 1 3 262.441 3.269 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN(C)CCC[NH3+])cc1 ZINC001235435193 819098616 /nfs/dbraw/zinc/09/86/16/819098616.db2.gz CBZCYIAVBTXYIW-OAHLLOKOSA-N 1 3 262.441 3.269 20 0 CGADHO c1ccc(C[C@@H]2CCCN(CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235672302 819133691 /nfs/dbraw/zinc/13/36/91/819133691.db2.gz ALYLHKYLZGTGEV-OALUTQOASA-N 1 3 286.463 3.473 20 0 CGADHO CC[NH2+]C1CCN(CC[C@@H]2CC=C(C)C2(C)C)CC1 ZINC001235727349 819154802 /nfs/dbraw/zinc/15/48/02/819154802.db2.gz YKWSIXWJPSTWAJ-HNNXBMFYSA-N 1 3 264.457 3.443 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@H]1CC[NH3+] ZINC001235924920 819223759 /nfs/dbraw/zinc/22/37/59/819223759.db2.gz CFYYKZZWZGFARA-HNNXBMFYSA-N 1 3 284.403 3.162 20 0 CGADHO CN(CCCc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950794 819241592 /nfs/dbraw/zinc/24/15/92/819241592.db2.gz NAGBPHBJWIQNAT-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@H+](CCCc1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950794 819241597 /nfs/dbraw/zinc/24/15/97/819241597.db2.gz NAGBPHBJWIQNAT-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[N@@H+](CCCc1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950794 819241603 /nfs/dbraw/zinc/24/16/03/819241603.db2.gz NAGBPHBJWIQNAT-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccc12 ZINC001235958253 819246029 /nfs/dbraw/zinc/24/60/29/819246029.db2.gz BVDROPREPXYWPA-CCWDJLKJSA-N 1 3 296.414 3.018 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+](C)Cc1ccc2n1CCNC2 ZINC001235960602 819249196 /nfs/dbraw/zinc/24/91/96/819249196.db2.gz UTTPUQPVYKRNMR-GOSISDBHSA-N 1 3 283.419 3.174 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc2n1CCNC2 ZINC001235960602 819249198 /nfs/dbraw/zinc/24/91/98/819249198.db2.gz UTTPUQPVYKRNMR-GOSISDBHSA-N 1 3 283.419 3.174 20 0 CGADHO CCCc1ccc(CN2CC3(C2)CCC[NH2+]CC3)s1 ZINC001236009666 819274245 /nfs/dbraw/zinc/27/42/45/819274245.db2.gz OMAQJHLSBFBKPX-UHFFFAOYSA-N 1 3 278.465 3.276 20 0 CGADHO C(C[NH2+]C1CCCCC1)CN1CC[C@H](COCC2CC2)C1 ZINC001236040403 819281163 /nfs/dbraw/zinc/28/11/63/819281163.db2.gz CBVLQISLVMJGJD-KRWDZBQOSA-N 1 3 294.483 3.047 20 0 CGADHO C[NH2+]C[C@@H]1CCN(Cc2c(C)sc3ccccc32)C1 ZINC001236067175 819298178 /nfs/dbraw/zinc/29/81/78/819298178.db2.gz MXNONKKPNKAGEE-ZDUSSCGKSA-N 1 3 274.433 3.251 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001236093179 819312363 /nfs/dbraw/zinc/31/23/63/819312363.db2.gz GBMVMRWOCRLXJI-BEFAXECRSA-N 1 3 280.415 3.441 20 0 CGADHO Cc1ccccc1-c1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC001236093179 819312370 /nfs/dbraw/zinc/31/23/70/819312370.db2.gz GBMVMRWOCRLXJI-BEFAXECRSA-N 1 3 280.415 3.441 20 0 CGADHO C[C@H]1CN(CCC[NH2+]C2CCCCC2)C2(CC2)C1 ZINC001236154239 819348474 /nfs/dbraw/zinc/34/84/74/819348474.db2.gz NRZYVQKGJIJTEJ-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@H]1N ZINC001236211819 819373894 /nfs/dbraw/zinc/37/38/94/819373894.db2.gz JJUYABBKCTZWLU-ZBFHGGJFSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[C@H]1N ZINC001236211819 819373901 /nfs/dbraw/zinc/37/39/01/819373901.db2.gz JJUYABBKCTZWLU-ZBFHGGJFSA-N 1 3 275.371 3.009 20 0 CGADHO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2N)c(C)c1C ZINC001236214727 819378157 /nfs/dbraw/zinc/37/81/57/819378157.db2.gz UZIZTEMUYPEILL-CVEARBPZSA-N 1 3 276.424 3.014 20 0 CGADHO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2N)c(C)c1C ZINC001236214727 819378163 /nfs/dbraw/zinc/37/81/63/819378163.db2.gz UZIZTEMUYPEILL-CVEARBPZSA-N 1 3 276.424 3.014 20 0 CGADHO COc1ccc2c(c1)CN(Cc1cccc(C[NH3+])c1)CCC2 ZINC001236432823 819477009 /nfs/dbraw/zinc/47/70/09/819477009.db2.gz CKMPJVYEHRXYLN-UHFFFAOYSA-N 1 3 296.414 3.102 20 0 CGADHO CC[C@@H](C)C[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236441850 819480298 /nfs/dbraw/zinc/48/02/98/819480298.db2.gz WBGLQOXYPWFOIK-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@@H](C)C[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236441850 819480303 /nfs/dbraw/zinc/48/03/03/819480303.db2.gz WBGLQOXYPWFOIK-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@]1(C[NH3+])CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001236605355 819551090 /nfs/dbraw/zinc/55/10/90/819551090.db2.gz RGBPLLWMWHULCG-FQEVSTJZSA-N 1 3 292.426 3.429 20 0 CGADHO CC[C@H](N)C[N@H+](C)CCCc1cccc(Br)c1 ZINC001236859768 819624629 /nfs/dbraw/zinc/62/46/29/819624629.db2.gz MJTOLAXOSVTOJR-AWEZNQCLSA-N 1 3 299.256 3.051 20 0 CGADHO CC[C@H](N)C[N@@H+](C)CCCc1cccc(Br)c1 ZINC001236859768 819624634 /nfs/dbraw/zinc/62/46/34/819624634.db2.gz MJTOLAXOSVTOJR-AWEZNQCLSA-N 1 3 299.256 3.051 20 0 CGADHO CCCN(Cc1ccc(SC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236836945 819616646 /nfs/dbraw/zinc/61/66/46/819616646.db2.gz ZMPSYEALCPRXMM-OAHLLOKOSA-N 1 3 278.465 3.230 20 0 CGADHO CCCN(Cc1cccc(Cl)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236842597 819618091 /nfs/dbraw/zinc/61/80/91/819618091.db2.gz FZYOPMDMHCPUBM-CQSZACIVSA-N 1 3 280.843 3.470 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc(F)ccc3F)C[C@@H]2C1 ZINC001343332425 936495626 /nfs/dbraw/zinc/49/56/26/936495626.db2.gz DHRXBKUKOAGWNZ-HEHGZKQESA-N 1 3 294.389 3.127 20 0 CGADHO CN(C)c1cccc(Cl)c1CN(C)C1CCC([NH3+])CC1 ZINC001349318310 936946872 /nfs/dbraw/zinc/94/68/72/936946872.db2.gz IHMWVXQOMQXFLD-UHFFFAOYSA-N 1 3 295.858 3.108 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cccc(F)c3F)C[C@@H]2C1 ZINC001355372761 937138662 /nfs/dbraw/zinc/13/86/62/937138662.db2.gz FUPUARFCTFRIOD-VHDGCEQUSA-N 1 3 294.389 3.127 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2C1 ZINC001355372757 937138724 /nfs/dbraw/zinc/13/87/24/937138724.db2.gz FUPUARFCTFRIOD-BPLDGKMQSA-N 1 3 294.389 3.127 20 0 CGADHO CCCCN(C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614495 937493608 /nfs/dbraw/zinc/49/36/08/937493608.db2.gz OSYZRBFDELIESG-AEFFLSMTSA-N 1 3 292.467 3.162 20 0 CGADHO CCCCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1ccccc1 ZINC001459614495 937493609 /nfs/dbraw/zinc/49/36/09/937493609.db2.gz OSYZRBFDELIESG-AEFFLSMTSA-N 1 3 292.467 3.162 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C)s3)[C@@H]2C1 ZINC001461828063 937600044 /nfs/dbraw/zinc/60/00/44/937600044.db2.gz HYSFUMQXSAGTNR-CFVMTHIKSA-N 1 3 292.492 3.475 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCC(C4CCC4)CC3)[C@H]2C1 ZINC001461829505 937600246 /nfs/dbraw/zinc/60/02/46/937600246.db2.gz LBHNUQLUJCGKEJ-YKFHYGQGSA-N 1 3 276.468 3.275 20 0 CGADHO Cc1cc(C)cc(CC[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC001462435767 937641282 /nfs/dbraw/zinc/64/12/82/937641282.db2.gz IQNNJVDULQOVLJ-SFHVURJKSA-N 1 3 274.452 3.167 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCN(c3ccncc3)CC2)cc1C ZINC001307875137 933014076 /nfs/dbraw/zinc/01/40/76/933014076.db2.gz HGSBHOYCURQHFV-UHFFFAOYSA-N 1 3 295.430 3.411 20 0 CGADHO Cc1ccc(C[N@H+]2CCCN(c3ccncc3)CC2)cc1C ZINC001307875137 933014078 /nfs/dbraw/zinc/01/40/78/933014078.db2.gz HGSBHOYCURQHFV-UHFFFAOYSA-N 1 3 295.430 3.411 20 0 CGADHO C[C@H](c1ccccc1)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041410 933039272 /nfs/dbraw/zinc/03/92/72/933039272.db2.gz SSOUGUWVRMUNKG-HZPDHXFCSA-N 1 3 281.403 3.353 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC001308417931 933108617 /nfs/dbraw/zinc/10/86/17/933108617.db2.gz HQAZNEHXDFSXKI-BZUAXINKSA-N 1 3 254.462 3.379 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC001308553507 933130815 /nfs/dbraw/zinc/13/08/15/933130815.db2.gz ASTKLJKMMMEYBO-NVXWUHKLSA-N 1 3 289.467 3.039 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@H](C)N(C)C ZINC001308881967 933196226 /nfs/dbraw/zinc/19/62/26/933196226.db2.gz BHCTYSATPKRVJC-RDJZCZTQSA-N 1 3 262.441 3.246 20 0 CGADHO Cc1cnc2ccccc2c1N1CCC(C[NH+](C)C)CC1 ZINC001319211607 933843634 /nfs/dbraw/zinc/84/36/34/933843634.db2.gz SNFWOTMJPBMDKD-UHFFFAOYSA-N 1 3 283.419 3.321 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)nc2C)C1 ZINC001319743180 933925540 /nfs/dbraw/zinc/92/55/40/933925540.db2.gz FQOVHYXEBCAGTR-GDBMZVCRSA-N 1 3 275.440 3.081 20 0 CGADHO CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(CC)C2)s1 ZINC001319755770 933927246 /nfs/dbraw/zinc/92/72/46/933927246.db2.gz SWWYZJNQRLPGIU-GXTWGEPZSA-N 1 3 295.496 3.396 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(OC)c2)C1 ZINC001319911566 933957211 /nfs/dbraw/zinc/95/72/11/933957211.db2.gz MDNNHQIDMGATQG-KGLIPLIRSA-N 1 3 294.414 3.217 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@H]2CCC[C@@H]21 ZINC001322071551 934238949 /nfs/dbraw/zinc/23/89/49/934238949.db2.gz WRDRAJSIELUBDZ-QYZOEREBSA-N 1 3 284.447 3.138 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@H]2CCC[C@@H]21 ZINC001322071551 934238959 /nfs/dbraw/zinc/23/89/59/934238959.db2.gz WRDRAJSIELUBDZ-QYZOEREBSA-N 1 3 284.447 3.138 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@H]2CCC[C@H]21 ZINC001322071548 934239619 /nfs/dbraw/zinc/23/96/19/934239619.db2.gz WRDRAJSIELUBDZ-CEXWTWQISA-N 1 3 284.447 3.138 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3c(c2)CCC3)[C@H]2CCC[C@H]21 ZINC001322071548 934239622 /nfs/dbraw/zinc/23/96/22/934239622.db2.gz WRDRAJSIELUBDZ-CEXWTWQISA-N 1 3 284.447 3.138 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC001322632137 934322330 /nfs/dbraw/zinc/32/23/30/934322330.db2.gz DRMCMXJRXZMZHD-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454711 934506572 /nfs/dbraw/zinc/50/65/72/934506572.db2.gz GJBASNUSIJVFPX-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3c(c2)CCC3)C1 ZINC001324454711 934506581 /nfs/dbraw/zinc/50/65/81/934506581.db2.gz GJBASNUSIJVFPX-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454711 934506587 /nfs/dbraw/zinc/50/65/87/934506587.db2.gz GJBASNUSIJVFPX-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCC3)C1 ZINC001324454711 934506593 /nfs/dbraw/zinc/50/65/93/934506593.db2.gz GJBASNUSIJVFPX-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO c1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327537787 935068346 /nfs/dbraw/zinc/06/83/46/935068346.db2.gz INECWWKDMXFOCK-RHSMWYFYSA-N 1 3 258.409 3.117 20 0 CGADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1CCC2 ZINC001331819618 935412226 /nfs/dbraw/zinc/41/22/26/935412226.db2.gz CBONZZPJKLBUOH-CEXWTWQISA-N 1 3 284.447 3.186 20 0 CGADHO CC(C)CC[C@H](O)CNC1CC[NH+](CC2CCCC2)CC1 ZINC001336723697 936210585 /nfs/dbraw/zinc/21/05/85/936210585.db2.gz PXTGWJPBHFUKHQ-SFHVURJKSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)CC[C@H](O)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001336723697 936210588 /nfs/dbraw/zinc/21/05/88/936210588.db2.gz PXTGWJPBHFUKHQ-SFHVURJKSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCCCC1 ZINC001473809788 937822971 /nfs/dbraw/zinc/82/29/71/937822971.db2.gz QWPUMXFRWIMRRJ-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC1CCCCC1 ZINC001473809788 937822973 /nfs/dbraw/zinc/82/29/73/937822973.db2.gz QWPUMXFRWIMRRJ-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C[C@@H](C)O1 ZINC001474016105 937835554 /nfs/dbraw/zinc/83/55/54/937835554.db2.gz MHOBFHYWIWADSP-DZVNLGKHSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@](C)(CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339266 937852404 /nfs/dbraw/zinc/85/24/04/937852404.db2.gz HDDGLRDLKPVJTN-QZTJIDSGSA-N 1 3 296.499 3.245 20 0 CGADHO C[C@@]1(CN2CCC(c3cccc4[nH]ccc43)CC2)CC[NH2+]C1 ZINC001550351787 938166198 /nfs/dbraw/zinc/16/61/98/938166198.db2.gz GNEFFBCPMLAVJO-LJQANCHMSA-N 1 3 297.446 3.347 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542419 938167425 /nfs/dbraw/zinc/16/74/25/938167425.db2.gz QVECOKHFLKBDCI-LSDHHAIUSA-N 1 3 280.362 3.008 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@H]2C1 ZINC001550542419 938167426 /nfs/dbraw/zinc/16/74/26/938167426.db2.gz QVECOKHFLKBDCI-LSDHHAIUSA-N 1 3 280.362 3.008 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539599 938167459 /nfs/dbraw/zinc/16/74/59/938167459.db2.gz DKXKSWDJGTYIRV-UONOGXRCSA-N 1 3 298.352 3.089 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001550539599 938167460 /nfs/dbraw/zinc/16/74/60/938167460.db2.gz DKXKSWDJGTYIRV-UONOGXRCSA-N 1 3 298.352 3.089 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542899 938167576 /nfs/dbraw/zinc/16/75/76/938167576.db2.gz AIYMNXZQYRGAHB-INQOVCNISA-N 1 3 290.838 3.237 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542899 938167577 /nfs/dbraw/zinc/16/75/77/938167577.db2.gz AIYMNXZQYRGAHB-INQOVCNISA-N 1 3 290.838 3.237 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001550546521 938167917 /nfs/dbraw/zinc/16/79/17/938167917.db2.gz CLIFPSBTKCBIRM-BJWYYQGGSA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@H](N[C@H]1Cc2ccccc2[C@@H]1[NH3+])c1ccccc1 ZINC001551378086 938180678 /nfs/dbraw/zinc/18/06/78/938180678.db2.gz MAQNTLBZPHMHAM-BZSNNMDCSA-N 1 3 266.388 3.352 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551389165 938181033 /nfs/dbraw/zinc/18/10/33/938181033.db2.gz JMZWJAKLFGZFQF-NALMEZQBSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+][C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001552895544 938195064 /nfs/dbraw/zinc/19/50/64/938195064.db2.gz NFLCMIFNFDCKOH-MHORFTMASA-N 1 3 288.435 3.156 20 0 CGADHO CC(C)[NH+]1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001257204854 960427146 /nfs/dbraw/zinc/42/71/46/960427146.db2.gz QXQTWKPEWSYLRY-UHFFFAOYSA-N 1 3 298.434 3.054 20 0 CGADHO C(CNC1CC1)C[NH2+]C1CCC2(CCCC2)CC1 ZINC001574773528 962322581 /nfs/dbraw/zinc/32/25/81/962322581.db2.gz FEVXOMLTPQWGDF-UHFFFAOYSA-N 1 3 250.430 3.221 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCCN2)CS1 ZINC001575119407 962357962 /nfs/dbraw/zinc/35/79/62/962357962.db2.gz JLPDCCMMTNPXNH-IHRRRGAJSA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)[C@@H](C[NH2+]C1CC(N)C1)c1ccc(Cl)cc1 ZINC001575429505 962373734 /nfs/dbraw/zinc/37/37/34/962373734.db2.gz IFTDFAAMJDLZIZ-YMAMQOFZSA-N 1 3 266.816 3.159 20 0 CGADHO CC(C)[C@@H](CNC1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC001575429505 962373754 /nfs/dbraw/zinc/37/37/54/962373754.db2.gz IFTDFAAMJDLZIZ-YMAMQOFZSA-N 1 3 266.816 3.159 20 0 CGADHO CC(C)[C@H](C[NH3+])CN1CC(C)(C)[C@H]1c1ccccc1 ZINC001575421620 962378888 /nfs/dbraw/zinc/37/88/88/962378888.db2.gz AEIMZZBXIHJBST-HZPDHXFCSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCN1 ZINC001575546032 962389075 /nfs/dbraw/zinc/38/90/75/962389075.db2.gz SCZAJIRODLHGCL-HOTGVXAUSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576065713 962427042 /nfs/dbraw/zinc/42/70/42/962427042.db2.gz HIHYMQDSSYZVAA-XFBWCDHKSA-N 1 3 272.392 3.079 20 0 CGADHO C[C@@H]1C[C@@H](c2cccc(F)c2)N(CC(C)(C)C[NH3+])C1 ZINC001576622371 962475087 /nfs/dbraw/zinc/47/50/87/962475087.db2.gz CXQINPBDUJTMAU-DOMZBBRYSA-N 1 3 264.388 3.194 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC001577251058 962521418 /nfs/dbraw/zinc/52/14/18/962521418.db2.gz VFQNRAMLJXQVPC-BXUZGUMPSA-N 1 3 264.438 3.062 20 0 CGADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087651 962565993 /nfs/dbraw/zinc/56/59/93/962565993.db2.gz PQJRWSQBWGKLFW-HRCADAONSA-N 1 3 296.499 3.420 20 0 CGADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087651 962566004 /nfs/dbraw/zinc/56/60/04/962566004.db2.gz PQJRWSQBWGKLFW-HRCADAONSA-N 1 3 296.499 3.420 20 0 CGADHO CSCC[C@H](C)[N@H+](C)C[C@H](N)CCC(C)(C)C ZINC001579370870 962618003 /nfs/dbraw/zinc/61/80/03/962618003.db2.gz SXCYPONJDTWZNM-QWHCGFSZSA-N 1 3 260.491 3.213 20 0 CGADHO CSCC[C@H](C)[N@@H+](C)C[C@H](N)CCC(C)(C)C ZINC001579370870 962618029 /nfs/dbraw/zinc/61/80/29/962618029.db2.gz SXCYPONJDTWZNM-QWHCGFSZSA-N 1 3 260.491 3.213 20 0 CGADHO Cc1c(Cl)cccc1CNCc1ccccc1C[NH3+] ZINC001579535891 962636192 /nfs/dbraw/zinc/63/61/92/962636192.db2.gz WEOCMFUIOCRQEX-UHFFFAOYSA-N 1 3 274.795 3.397 20 0 CGADHO Cc1cc(C)cc(C2CC[NH+](CC3(CN)CC3)CC2)c1 ZINC001579580443 962639808 /nfs/dbraw/zinc/63/98/08/962639808.db2.gz YFPHMAFJJWEJHA-UHFFFAOYSA-N 1 3 272.436 3.222 20 0 CGADHO Cc1ncc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875684 962675621 /nfs/dbraw/zinc/67/56/21/962675621.db2.gz ICAFVZRKKIOCFX-RHSMWYFYSA-N 1 3 291.439 3.103 20 0 CGADHO FC(F)n1cccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001580024553 962685574 /nfs/dbraw/zinc/68/55/74/962685574.db2.gz ZZPNGLPMRPWIRJ-ZIAGYGMSSA-N 1 3 297.393 3.095 20 0 CGADHO NC1CC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001580166051 962692743 /nfs/dbraw/zinc/69/27/43/962692743.db2.gz VZBQXIKVIFSDIA-HQSMGLLHSA-N 1 3 264.800 3.055 20 0 CGADHO [NH3+]C1CC(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001580166051 962692753 /nfs/dbraw/zinc/69/27/53/962692753.db2.gz VZBQXIKVIFSDIA-HQSMGLLHSA-N 1 3 264.800 3.055 20 0 CGADHO [NH3+]CC1(CN2Cc3ccccc3C3(CCC3)C2)CCC1 ZINC001580243987 962703586 /nfs/dbraw/zinc/70/35/86/962703586.db2.gz NNWLSTPQTGRDQD-UHFFFAOYSA-N 1 3 270.420 3.053 20 0 CGADHO CCCc1ccc(C[NH2+]CC2CCN(C)CC2)s1 ZINC000621334843 349499334 /nfs/dbraw/zinc/49/93/34/349499334.db2.gz SUHFXPXFIVYVDI-UHFFFAOYSA-N 1 3 266.454 3.132 20 0 CGADHO CC[C@@H](C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)OC ZINC000449404774 529397510 /nfs/dbraw/zinc/39/75/10/529397510.db2.gz WCGQUCJXBHOLAR-CRAIPNDOSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@@H](C)[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449404774 529397513 /nfs/dbraw/zinc/39/75/13/529397513.db2.gz WCGQUCJXBHOLAR-CRAIPNDOSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414797909 529431372 /nfs/dbraw/zinc/43/13/72/529431372.db2.gz IQCGEMILKPVSAC-ZACQAIPSSA-N 1 3 260.425 3.115 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NCC1C[NH2+]C1 ZINC000423307378 529540519 /nfs/dbraw/zinc/54/05/19/529540519.db2.gz VUOIWNBVSHEHCR-ZDUSSCGKSA-N 1 3 287.234 3.124 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1CNC1 ZINC000423307378 529540521 /nfs/dbraw/zinc/54/05/21/529540521.db2.gz VUOIWNBVSHEHCR-ZDUSSCGKSA-N 1 3 287.234 3.124 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1C[C@H]1C ZINC000414072474 529593230 /nfs/dbraw/zinc/59/32/30/529593230.db2.gz DVSJHAVZHWUVFR-OLMNPRSZSA-N 1 3 287.451 3.322 20 0 CGADHO CC[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc(C)c1 ZINC000423346860 529622396 /nfs/dbraw/zinc/62/23/96/529622396.db2.gz QKXTUMIJPGXSLD-DLBZAZTESA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)c1cccc(C)c1 ZINC000423346860 529622398 /nfs/dbraw/zinc/62/23/98/529622398.db2.gz QKXTUMIJPGXSLD-DLBZAZTESA-N 1 3 260.425 3.425 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc2c1CCCN2)[C@@H]1CCCCN1 ZINC000423411641 529631336 /nfs/dbraw/zinc/63/13/36/529631336.db2.gz GCUVIZJQBSBHSW-WMZOPIPTSA-N 1 3 287.451 3.055 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCSc2ccccc2)CC1(C)C ZINC000623341603 349782549 /nfs/dbraw/zinc/78/25/49/349782549.db2.gz KNRSZZLOZRUTJV-CQSZACIVSA-N 1 3 278.465 3.241 20 0 CGADHO C[N@H+]1CC[C@@H](NCCSc2ccccc2)CC1(C)C ZINC000623341603 349782552 /nfs/dbraw/zinc/78/25/52/349782552.db2.gz KNRSZZLOZRUTJV-CQSZACIVSA-N 1 3 278.465 3.241 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000423272698 529655964 /nfs/dbraw/zinc/65/59/64/529655964.db2.gz IHRXATGPTAUMBR-KWCYVHTRSA-N 1 3 252.427 3.306 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000423283836 529670023 /nfs/dbraw/zinc/67/00/23/529670023.db2.gz WJMXKTCVJDAQMO-PVAVHDDUSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1cccc(OC)c1 ZINC000423283836 529670024 /nfs/dbraw/zinc/67/00/24/529670024.db2.gz WJMXKTCVJDAQMO-PVAVHDDUSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423406067 529657674 /nfs/dbraw/zinc/65/76/74/529657674.db2.gz YJAPWQOAVHZCCS-KFWWJZLASA-N 1 3 250.361 3.136 20 0 CGADHO C[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2ccccc2F)CC1(C)C ZINC000623546684 349831354 /nfs/dbraw/zinc/83/13/54/349831354.db2.gz NFRZUKDYZNGOAG-IVMMDQJWSA-N 1 3 276.399 3.144 20 0 CGADHO C[N@H+]1CC[C@@H](N[C@@H]2C[C@H]2c2ccccc2F)CC1(C)C ZINC000623546684 349831356 /nfs/dbraw/zinc/83/13/56/349831356.db2.gz NFRZUKDYZNGOAG-IVMMDQJWSA-N 1 3 276.399 3.144 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc3occc3c2)CC1(C)C ZINC000623563777 349835912 /nfs/dbraw/zinc/83/59/12/349835912.db2.gz JUNWPEUVTSWDGC-HNNXBMFYSA-N 1 3 272.392 3.395 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCc3c2cccc3C)C1 ZINC000481037136 534950211 /nfs/dbraw/zinc/95/02/11/534950211.db2.gz OBSXQSPEEMBDOA-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCc3c2cccc3C)C1 ZINC000481037136 534950218 /nfs/dbraw/zinc/95/02/18/534950218.db2.gz OBSXQSPEEMBDOA-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000481037136 534950223 /nfs/dbraw/zinc/95/02/23/534950223.db2.gz OBSXQSPEEMBDOA-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[C@H](CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000576280088 335182023 /nfs/dbraw/zinc/18/20/23/335182023.db2.gz RNGUKTWPTVZLRN-MSOLQXFVSA-N 1 3 272.436 3.256 20 0 CGADHO C[NH+]1CCC(CNCc2csc(Cl)c2Cl)CC1 ZINC000432252346 530049345 /nfs/dbraw/zinc/04/93/45/530049345.db2.gz YEMJGMWMYYECNG-UHFFFAOYSA-N 1 3 293.263 3.486 20 0 CGADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044533031 345012857 /nfs/dbraw/zinc/01/28/57/345012857.db2.gz OQVGHKJGZHKJTH-NSHDSACASA-N 1 3 287.234 3.425 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534865 345013189 /nfs/dbraw/zinc/01/31/89/345013189.db2.gz ZRVRILRDMXMDEC-HOTGVXAUSA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)Oc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534865 345013191 /nfs/dbraw/zinc/01/31/91/345013191.db2.gz ZRVRILRDMXMDEC-HOTGVXAUSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000089551746 345770817 /nfs/dbraw/zinc/77/08/17/345770817.db2.gz QRMYRMPJEMNXMS-VKJFTORMSA-N 1 3 290.451 3.466 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646094 219160785 /nfs/dbraw/zinc/16/07/85/219160785.db2.gz ORNDORIYWPZFGQ-HUUCEWRRSA-N 1 3 293.480 3.197 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646094 219160787 /nfs/dbraw/zinc/16/07/87/219160787.db2.gz ORNDORIYWPZFGQ-HUUCEWRRSA-N 1 3 293.480 3.197 20 0 CGADHO Cc1ccccc1CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175909636 232326861 /nfs/dbraw/zinc/32/68/61/232326861.db2.gz XOWRZAPESDHURO-GOSISDBHSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000175909636 232326864 /nfs/dbraw/zinc/32/68/64/232326864.db2.gz XOWRZAPESDHURO-GOSISDBHSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000175909636 232326867 /nfs/dbraw/zinc/32/68/67/232326867.db2.gz XOWRZAPESDHURO-GOSISDBHSA-N 1 3 286.463 3.345 20 0 CGADHO C[C@H](F)CCN1CCC[C@H]([N@H+](C)CC[C@H](C)F)CC1 ZINC000351729056 219188201 /nfs/dbraw/zinc/18/82/01/219188201.db2.gz CFGFJYGINBKDMA-KKUMJFAQSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@H](F)CCN1CCC[C@H]([N@@H+](C)CC[C@H](C)F)CC1 ZINC000351729056 219188203 /nfs/dbraw/zinc/18/82/03/219188203.db2.gz CFGFJYGINBKDMA-KKUMJFAQSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@H](F)CCN(C)[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729056 219188206 /nfs/dbraw/zinc/18/82/06/219188206.db2.gz CFGFJYGINBKDMA-KKUMJFAQSA-N 1 3 276.415 3.269 20 0 CGADHO C[C@H](F)CCN(C)[C@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729056 219188208 /nfs/dbraw/zinc/18/82/08/219188208.db2.gz CFGFJYGINBKDMA-KKUMJFAQSA-N 1 3 276.415 3.269 20 0 CGADHO CCCc1ccc(C[NH2+]CCCN2CCCC2)cc1 ZINC000588280879 346758277 /nfs/dbraw/zinc/75/82/77/346758277.db2.gz OCUKBQGBJSAKFN-UHFFFAOYSA-N 1 3 260.425 3.215 20 0 CGADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000600635866 347821795 /nfs/dbraw/zinc/82/17/95/347821795.db2.gz IAZZAMAMFGNOEG-HNNXBMFYSA-N 1 3 275.440 3.195 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000600635866 347821798 /nfs/dbraw/zinc/82/17/98/347821798.db2.gz IAZZAMAMFGNOEG-HNNXBMFYSA-N 1 3 275.440 3.195 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000624120548 349976412 /nfs/dbraw/zinc/97/64/12/349976412.db2.gz BLUWSAKSZCLRES-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120508 349976994 /nfs/dbraw/zinc/97/69/94/349976994.db2.gz ARIKGBPBVVKPEL-HIFRSBDPSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120508 349976998 /nfs/dbraw/zinc/97/69/98/349976998.db2.gz ARIKGBPBVVKPEL-HIFRSBDPSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120508 349977000 /nfs/dbraw/zinc/97/70/00/349977000.db2.gz ARIKGBPBVVKPEL-HIFRSBDPSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@@H]1C ZINC000624121774 349980032 /nfs/dbraw/zinc/98/00/32/349980032.db2.gz CVIGWKKHVBMFBH-FPCVCCKLSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121424 349978266 /nfs/dbraw/zinc/97/82/66/349978266.db2.gz WFZRTXMMEXLGCI-CVEARBPZSA-N 1 3 252.446 3.443 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccnc1 ZINC000624121789 349980398 /nfs/dbraw/zinc/98/03/98/349980398.db2.gz CXGOKBJIYDUMJF-WBVHZDCISA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)[C@H](C[N@H+](C)C1CCNCC1)c1ccccc1 ZINC000339407490 215153269 /nfs/dbraw/zinc/15/32/69/215153269.db2.gz NUQNFGMHZLDBIT-KRWDZBQOSA-N 1 3 260.425 3.110 20 0 CGADHO CC(C)[C@H](C[N@@H+](C)C1CCNCC1)c1ccccc1 ZINC000339407490 215153271 /nfs/dbraw/zinc/15/32/71/215153271.db2.gz NUQNFGMHZLDBIT-KRWDZBQOSA-N 1 3 260.425 3.110 20 0 CGADHO CC(C)[C@H](CN(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000339407490 215153272 /nfs/dbraw/zinc/15/32/72/215153272.db2.gz NUQNFGMHZLDBIT-KRWDZBQOSA-N 1 3 260.425 3.110 20 0 CGADHO C/C=C/CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000624198886 349999908 /nfs/dbraw/zinc/99/99/08/349999908.db2.gz AWGXFNRBAGSVSL-QDLOVBKTSA-N 1 3 272.436 3.248 20 0 CGADHO Clc1cccc2c1CCN(CCC1CC[NH2+]CC1)C2 ZINC000359199806 233278264 /nfs/dbraw/zinc/27/82/64/233278264.db2.gz FRUUXWRFSDOCMB-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO CN(C)Cc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000628232730 350453924 /nfs/dbraw/zinc/45/39/24/350453924.db2.gz LPUWAMMAHHSWGI-INIZCTEOSA-N 1 3 278.465 3.124 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000629531984 350703780 /nfs/dbraw/zinc/70/37/80/350703780.db2.gz HBPKHEARZZMJEN-UHFFFAOYSA-N 1 3 287.451 3.089 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccnc(-c3ccccc3)c2)C1 ZINC000629551927 350712136 /nfs/dbraw/zinc/71/21/36/350712136.db2.gz XXYXGNPFHPDGHW-IAGOWNOFSA-N 1 3 281.403 3.108 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000629556176 350712929 /nfs/dbraw/zinc/71/29/29/350712929.db2.gz MAAHOMNRDJIMBO-QWHCGFSZSA-N 1 3 291.826 3.223 20 0 CGADHO C[C@H](CCCC[NH3+])NC1(c2c(F)cccc2F)CCC1 ZINC000629555765 350713066 /nfs/dbraw/zinc/71/30/66/350713066.db2.gz CSZVGSCLEUMUQT-GFCCVEGCSA-N 1 3 282.378 3.451 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000629511454 350699011 /nfs/dbraw/zinc/69/90/11/350699011.db2.gz JCTAJZWKGHRCNF-CYBMUJFWSA-N 1 3 275.440 3.073 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000629516057 350700047 /nfs/dbraw/zinc/70/00/47/350700047.db2.gz ZUZBVTFPOGUCLD-FZKCQIBNSA-N 1 3 258.409 3.038 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000629516057 350700050 /nfs/dbraw/zinc/70/00/50/350700050.db2.gz ZUZBVTFPOGUCLD-FZKCQIBNSA-N 1 3 258.409 3.038 20 0 CGADHO Cc1ccccc1-c1cccc(CN(C)CCOCC[NH3+])c1 ZINC000629662225 350732819 /nfs/dbraw/zinc/73/28/19/350732819.db2.gz GOZROEVJAHIBIA-UHFFFAOYSA-N 1 3 298.430 3.069 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000631659523 351109191 /nfs/dbraw/zinc/10/91/91/351109191.db2.gz RPAIVYGCXBNLLG-HOCLYGCPSA-N 1 3 278.415 3.235 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000635008050 351626688 /nfs/dbraw/zinc/62/66/88/351626688.db2.gz YKOBLHCWKNXIMN-IRUJWGPZSA-N 1 3 298.352 3.198 20 0 CGADHO COCCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000122622377 187041598 /nfs/dbraw/zinc/04/15/98/187041598.db2.gz GBMWQLHVTXLIBO-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000363945040 234009486 /nfs/dbraw/zinc/00/94/86/234009486.db2.gz JBJJPSBGZDPBGT-INMHGKMJSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCSC2)CC1 ZINC000363945040 234009488 /nfs/dbraw/zinc/00/94/88/234009488.db2.gz JBJJPSBGZDPBGT-INMHGKMJSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000364115348 234021307 /nfs/dbraw/zinc/02/13/07/234021307.db2.gz YTASSFIRSYVLLF-QGTPRVQTSA-N 1 3 270.420 3.030 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795434 188162067 /nfs/dbraw/zinc/16/20/67/188162067.db2.gz SNYBEDBBHVYKRB-VYDXJSESSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000154795434 188162068 /nfs/dbraw/zinc/16/20/68/188162068.db2.gz SNYBEDBBHVYKRB-VYDXJSESSA-N 1 3 298.434 3.006 20 0 CGADHO COc1ccsc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414201915 235363034 /nfs/dbraw/zinc/36/30/34/235363034.db2.gz YIYNZRZQOVEGMC-STQMWFEESA-N 1 3 282.453 3.139 20 0 CGADHO COc1ccsc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414201915 235363035 /nfs/dbraw/zinc/36/30/35/235363035.db2.gz YIYNZRZQOVEGMC-STQMWFEESA-N 1 3 282.453 3.139 20 0 CGADHO [NH3+]CC1CCC(NCc2ccccc2Br)CC1 ZINC000415075793 235524502 /nfs/dbraw/zinc/52/45/02/235524502.db2.gz FLYXRQZKKHQSDR-UHFFFAOYSA-N 1 3 297.240 3.056 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000111380494 138364023 /nfs/dbraw/zinc/36/40/23/138364023.db2.gz GEQLCXCEONAMEX-AWEZNQCLSA-N 1 3 286.341 3.409 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(Cl)cc1 ZINC000422799002 235923602 /nfs/dbraw/zinc/92/36/02/235923602.db2.gz UPSULHVSVSOGMB-XJKCOSOUSA-N 1 3 296.842 3.085 20 0 CGADHO Cc1c([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cnn1C(C)(C)C ZINC000423283773 236022735 /nfs/dbraw/zinc/02/27/35/236022735.db2.gz WFOUIABBMLTEJA-JGGQBBKZSA-N 1 3 292.471 3.115 20 0 CGADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423297975 236029187 /nfs/dbraw/zinc/02/91/87/236029187.db2.gz MPRRYXXGRZFTGF-VXGBXAGGSA-N 1 3 289.448 3.364 20 0 CGADHO Cc1cc([C@@H]([NH2+]C[C@@H](N)C(C)C)C2CC2)ccc1F ZINC000423266148 236014348 /nfs/dbraw/zinc/01/43/48/236014348.db2.gz DFIRTUUQIFWZFY-CVEARBPZSA-N 1 3 264.388 3.158 20 0 CGADHO Cc1cc(OCCC[C@H](C)[NH2+]C[C@H](C)CN)ccc1Cl ZINC000423302644 236031031 /nfs/dbraw/zinc/03/10/31/236031031.db2.gz HPKGJDZQRJTOAN-OCCSQVGLSA-N 1 3 298.858 3.380 20 0 CGADHO Cc1cc([C@H](C)NC[C@H](C)C[NH3+])sc1Br ZINC000423310215 236033608 /nfs/dbraw/zinc/03/36/08/236033608.db2.gz RKYWPPSRFQEOSF-APPZFPTMSA-N 1 3 291.258 3.064 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423309745 236033650 /nfs/dbraw/zinc/03/36/50/236033650.db2.gz QOHFYBJAGWDXKY-CHWFTXMASA-N 1 3 272.845 3.078 20 0 CGADHO Cc1cccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423353899 236048384 /nfs/dbraw/zinc/04/83/84/236048384.db2.gz FGEXAWJUGAZCGK-AWEZNQCLSA-N 1 3 266.388 3.449 20 0 CGADHO Cc1cccc(C[C@@H](NCC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423355948 236048617 /nfs/dbraw/zinc/04/86/17/236048617.db2.gz GBAHMABHMMHJQR-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCCc3ccccc32)C1 ZINC000423364549 236051544 /nfs/dbraw/zinc/05/15/44/236051544.db2.gz AVFSGTRFXRWJQE-BFYDXBDKSA-N 1 3 258.409 3.314 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423371388 236052993 /nfs/dbraw/zinc/05/29/93/236052993.db2.gz QGGZHKOQDBFIBW-BOLLXYOYSA-N 1 3 280.456 3.116 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407902 236066370 /nfs/dbraw/zinc/06/63/70/236066370.db2.gz WMPYUZJAMSXLLN-ISTRZQFTSA-N 1 3 283.419 3.133 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423407902 236066372 /nfs/dbraw/zinc/06/63/72/236066372.db2.gz WMPYUZJAMSXLLN-ISTRZQFTSA-N 1 3 283.419 3.133 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423428371 236069045 /nfs/dbraw/zinc/06/90/45/236069045.db2.gz GMYIUXZJPKWIFQ-YNZJMPHRSA-N 1 3 280.362 3.004 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423446139 236073490 /nfs/dbraw/zinc/07/34/90/236073490.db2.gz NZZLZTJDVYGDLP-PKFCDNJMSA-N 1 3 286.341 3.482 20 0 CGADHO CCOc1ccc([C@H](CC)[NH2+]C[C@H](N)CC)cc1OCC ZINC000423483600 236083654 /nfs/dbraw/zinc/08/36/54/236083654.db2.gz YAJVYWGVEQKCLY-CABCVRRESA-N 1 3 294.439 3.262 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423534331 236094515 /nfs/dbraw/zinc/09/45/15/236094515.db2.gz VMXWZFMLRKUCCP-FFZOFVMBSA-N 1 3 294.442 3.271 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000423548565 236097523 /nfs/dbraw/zinc/09/75/23/236097523.db2.gz GSYQUJMQJFKVFW-GOSISDBHSA-N 1 3 272.436 3.048 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000423561116 236099195 /nfs/dbraw/zinc/09/91/95/236099195.db2.gz PTJUBZBYXSVIDW-NVXWUHKLSA-N 1 3 258.409 3.054 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccsc1 ZINC000294383115 199019492 /nfs/dbraw/zinc/01/94/92/199019492.db2.gz INBFABSEHFDDJH-GXTWGEPZSA-N 1 3 252.427 3.131 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000424364449 236157131 /nfs/dbraw/zinc/15/71/31/236157131.db2.gz DTQIERPQKPULRK-QZTJIDSGSA-N 1 3 281.403 3.108 20 0 CGADHO Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424375303 236157677 /nfs/dbraw/zinc/15/76/77/236157677.db2.gz MQDVQFQUCQMKCO-FSPWUOQZSA-N 1 3 298.434 3.101 20 0 CGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424375303 236157678 /nfs/dbraw/zinc/15/76/78/236157678.db2.gz MQDVQFQUCQMKCO-FSPWUOQZSA-N 1 3 298.434 3.101 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424332456 236151020 /nfs/dbraw/zinc/15/10/20/236151020.db2.gz WKMVWRQYADUFPE-CADBVGFASA-N 1 3 296.458 3.429 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000426286120 236286657 /nfs/dbraw/zinc/28/66/57/236286657.db2.gz LDZANKNZGSVQGG-RDJZCZTQSA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000426286120 236286658 /nfs/dbraw/zinc/28/66/58/236286658.db2.gz LDZANKNZGSVQGG-RDJZCZTQSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000092739334 299289393 /nfs/dbraw/zinc/28/93/93/299289393.db2.gz LYCCBXFHIPHDIQ-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccnc1 ZINC000092739334 299289397 /nfs/dbraw/zinc/28/93/97/299289397.db2.gz LYCCBXFHIPHDIQ-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423070138 296020714 /nfs/dbraw/zinc/02/07/14/296020714.db2.gz MVXIDBMINFDIHM-MXWKQRLJSA-N 1 3 274.330 3.482 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082898 239165628 /nfs/dbraw/zinc/16/56/28/239165628.db2.gz QOVUNAYGJNGJDI-CSMYWGQOSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc(F)c1 ZINC000449082898 239165633 /nfs/dbraw/zinc/16/56/33/239165633.db2.gz QOVUNAYGJNGJDI-CSMYWGQOSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000449100832 239179107 /nfs/dbraw/zinc/17/91/07/239179107.db2.gz CKYUVDKRRJFKDC-OAGGEKHMSA-N 1 3 284.488 3.290 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449379341 239365891 /nfs/dbraw/zinc/36/58/91/239365891.db2.gz SVXWXDDRCRCBPJ-SQNIBIBYSA-N 1 3 284.447 3.323 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449379341 239365896 /nfs/dbraw/zinc/36/58/96/239365896.db2.gz SVXWXDDRCRCBPJ-SQNIBIBYSA-N 1 3 284.447 3.323 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646963 376190573 /nfs/dbraw/zinc/19/05/73/376190573.db2.gz DYLAHCJPSCYHKF-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000537646963 376190576 /nfs/dbraw/zinc/19/05/76/376190576.db2.gz DYLAHCJPSCYHKF-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CNC1)C(c1ccccc1)c1ccccc1 ZINC000422945361 299343047 /nfs/dbraw/zinc/34/30/47/299343047.db2.gz UGPREKZXYNPIQA-HOTGVXAUSA-N 1 3 294.442 3.405 20 0 CGADHO C[C@H](N[C@@H](C)C1C[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000422945361 299343050 /nfs/dbraw/zinc/34/30/50/299343050.db2.gz UGPREKZXYNPIQA-HOTGVXAUSA-N 1 3 294.442 3.405 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3s2)CCN1 ZINC000335641081 212357570 /nfs/dbraw/zinc/35/75/70/212357570.db2.gz QKMIINQDUAITRR-AAEUAGOBSA-N 1 3 260.406 3.131 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459350561 242086180 /nfs/dbraw/zinc/08/61/80/242086180.db2.gz GBTKPBBJFMMVRI-HNNXBMFYSA-N 1 3 288.426 3.476 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459350561 242086184 /nfs/dbraw/zinc/08/61/84/242086184.db2.gz GBTKPBBJFMMVRI-HNNXBMFYSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350561 242086190 /nfs/dbraw/zinc/08/61/90/242086190.db2.gz GBTKPBBJFMMVRI-HNNXBMFYSA-N 1 3 288.426 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350561 242086198 /nfs/dbraw/zinc/08/61/98/242086198.db2.gz GBTKPBBJFMMVRI-HNNXBMFYSA-N 1 3 288.426 3.476 20 0 CGADHO CC(C)Cc1ncc(CNCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459731220 242197293 /nfs/dbraw/zinc/19/72/93/242197293.db2.gz KYEPDYJJYWHRMD-AWEZNQCLSA-N 1 3 295.496 3.163 20 0 CGADHO CC(C)Cc1ncc(CNCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459731220 242197298 /nfs/dbraw/zinc/19/72/98/242197298.db2.gz KYEPDYJJYWHRMD-AWEZNQCLSA-N 1 3 295.496 3.163 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Cl)cs2)C1 ZINC000459786871 242234214 /nfs/dbraw/zinc/23/42/14/242234214.db2.gz PPMBGYFUVLNAFJ-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Cl)cs2)C1 ZINC000459786871 242234216 /nfs/dbraw/zinc/23/42/16/242234216.db2.gz PPMBGYFUVLNAFJ-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO Cc1cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000462802695 242364755 /nfs/dbraw/zinc/36/47/55/242364755.db2.gz MJIBBSLBDXLDTA-JKSUJKDBSA-N 1 3 292.854 3.407 20 0 CGADHO Cc1cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000462802695 242364760 /nfs/dbraw/zinc/36/47/60/242364760.db2.gz MJIBBSLBDXLDTA-JKSUJKDBSA-N 1 3 292.854 3.407 20 0 CGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@H]1CC1(C)C ZINC000423532654 296118596 /nfs/dbraw/zinc/11/85/96/296118596.db2.gz VOJWHPZSEZQQDN-YUPDFXLQSA-N 1 3 276.468 3.164 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)C1 ZINC000481331011 243186233 /nfs/dbraw/zinc/18/62/33/243186233.db2.gz HBRNEAUDQBPLSU-HUUCEWRRSA-N 1 3 278.415 3.435 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000484486400 243312563 /nfs/dbraw/zinc/31/25/63/243312563.db2.gz KQQJAFLEJJJWLR-RKVPGOIHSA-N 1 3 272.436 3.445 20 0 CGADHO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)nc2ccccc21 ZINC000035206394 369000128 /nfs/dbraw/zinc/00/01/28/369000128.db2.gz XYRQOBJALHQOJP-CQSZACIVSA-N 1 3 269.392 3.439 20 0 CGADHO CC[N@H+]1CCC[C@@H]1CNc1cc(C)nc2ccccc21 ZINC000035206394 369000135 /nfs/dbraw/zinc/00/01/35/369000135.db2.gz XYRQOBJALHQOJP-CQSZACIVSA-N 1 3 269.392 3.439 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037210975 369075024 /nfs/dbraw/zinc/07/50/24/369075024.db2.gz IUDIBYMQFIXIGK-GOSISDBHSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN(CCCOc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037538855 369088943 /nfs/dbraw/zinc/08/89/43/369088943.db2.gz YZRKQLYGBQRVEA-UHFFFAOYSA-N 1 3 294.414 3.059 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000037644257 369094386 /nfs/dbraw/zinc/09/43/86/369094386.db2.gz VVIKRLXOWQCFRY-QWHCGFSZSA-N 1 3 298.377 3.280 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037649203 369095720 /nfs/dbraw/zinc/09/57/20/369095720.db2.gz HJJDWXMUROFLLT-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037649203 369095723 /nfs/dbraw/zinc/09/57/23/369095723.db2.gz HJJDWXMUROFLLT-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649170 369095991 /nfs/dbraw/zinc/09/59/91/369095991.db2.gz OSAGBIACIPGEEJ-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649170 369095993 /nfs/dbraw/zinc/09/59/93/369095993.db2.gz OSAGBIACIPGEEJ-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO Cc1cccc(C[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000037997519 369136477 /nfs/dbraw/zinc/13/64/77/369136477.db2.gz FLFCODSQIVPAFB-MRXNPFEDSA-N 1 3 260.425 3.207 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@@H]1C ZINC000494905226 244329277 /nfs/dbraw/zinc/32/92/77/244329277.db2.gz BAYLZFWOMZYTEU-CKEIUWERSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cccc(N2CCCC2)c1 ZINC000422881279 296147838 /nfs/dbraw/zinc/14/78/38/296147838.db2.gz YPXZXGUQPKGHEB-SOUVJXGZSA-N 1 3 275.440 3.063 20 0 CGADHO CC1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000063144580 369642525 /nfs/dbraw/zinc/64/25/25/369642525.db2.gz RHGYKMYFRKCMLK-UHFFFAOYSA-N 1 3 287.451 3.466 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072858417 369842029 /nfs/dbraw/zinc/84/20/29/369842029.db2.gz KECIZFYXJNRHCV-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072858417 369842032 /nfs/dbraw/zinc/84/20/32/369842032.db2.gz KECIZFYXJNRHCV-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCC(C)CC2)C12CCC2 ZINC000087709145 370029656 /nfs/dbraw/zinc/02/96/56/370029656.db2.gz ZFZDPYCLYWTUHW-IAGOWNOFSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000087709145 370029661 /nfs/dbraw/zinc/02/96/61/370029661.db2.gz ZFZDPYCLYWTUHW-IAGOWNOFSA-N 1 3 294.483 3.046 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)Cc2cccc(Cl)c2)C1 ZINC000104095752 370337705 /nfs/dbraw/zinc/33/77/05/370337705.db2.gz CWUFJEXYOOLGOY-CQSZACIVSA-N 1 3 266.816 3.114 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC000104095752 370337708 /nfs/dbraw/zinc/33/77/08/370337708.db2.gz CWUFJEXYOOLGOY-CQSZACIVSA-N 1 3 266.816 3.114 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000512004150 245014485 /nfs/dbraw/zinc/01/44/85/245014485.db2.gz ADVYMOYGWXQEOR-ZYOQUQOHSA-N 1 3 294.389 3.440 20 0 CGADHO CCCc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000113512600 370476963 /nfs/dbraw/zinc/47/69/63/370476963.db2.gz ZWLJCPSSVUCPSC-KRWDZBQOSA-N 1 3 260.425 3.023 20 0 CGADHO CCCc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000113512600 370476967 /nfs/dbraw/zinc/47/69/67/370476967.db2.gz ZWLJCPSSVUCPSC-KRWDZBQOSA-N 1 3 260.425 3.023 20 0 CGADHO CCc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129584576 370994645 /nfs/dbraw/zinc/99/46/45/370994645.db2.gz IUHGICLPCOYWAR-CKEIUWERSA-N 1 3 260.425 3.382 20 0 CGADHO CCc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129584576 370994650 /nfs/dbraw/zinc/99/46/50/370994650.db2.gz IUHGICLPCOYWAR-CKEIUWERSA-N 1 3 260.425 3.382 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cc(F)cc(F)c1 ZINC000423276896 299418029 /nfs/dbraw/zinc/41/80/29/299418029.db2.gz OZWWGBYBWHZVKZ-PGUXBMHVSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000130935346 371071106 /nfs/dbraw/zinc/07/11/06/371071106.db2.gz DCNPKNOIKVETLQ-CABCVRRESA-N 1 3 272.436 3.216 20 0 CGADHO CNC[C@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294713 371410752 /nfs/dbraw/zinc/41/07/52/371410752.db2.gz DIUWKMXRHREPPP-HWOWSKLDSA-N 1 3 266.473 3.380 20 0 CGADHO CNC[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294713 371410753 /nfs/dbraw/zinc/41/07/53/371410753.db2.gz DIUWKMXRHREPPP-HWOWSKLDSA-N 1 3 266.473 3.380 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccc(F)cc1F ZINC000336791198 213629527 /nfs/dbraw/zinc/62/95/27/213629527.db2.gz MUFBNXJFOUPWTP-QWRGUYRKSA-N 1 3 256.340 3.133 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750858 371535362 /nfs/dbraw/zinc/53/53/62/371535362.db2.gz IDEXSBBIKMEHRC-VQIMIIECSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150750858 371535372 /nfs/dbraw/zinc/53/53/72/371535372.db2.gz IDEXSBBIKMEHRC-VQIMIIECSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150750858 371535377 /nfs/dbraw/zinc/53/53/77/371535377.db2.gz IDEXSBBIKMEHRC-VQIMIIECSA-N 1 3 284.447 3.482 20 0 CGADHO CSC[C@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000150992447 371555536 /nfs/dbraw/zinc/55/55/36/371555536.db2.gz MPLNJRLAZQASID-KBPBESRZSA-N 1 3 296.480 3.029 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422700189 371757651 /nfs/dbraw/zinc/75/76/51/371757651.db2.gz BQNYJBVRPKNBBM-NEPJUHHUSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1cccc(C(F)(F)F)c1 ZINC000422700189 371757656 /nfs/dbraw/zinc/75/76/56/371757656.db2.gz BQNYJBVRPKNBBM-NEPJUHHUSA-N 1 3 288.357 3.353 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422700932 371757698 /nfs/dbraw/zinc/75/76/98/371757698.db2.gz HOLFIEZCPYDLMX-UONOGXRCSA-N 1 3 298.352 3.206 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccccc1Cl ZINC000422703959 371760188 /nfs/dbraw/zinc/76/01/88/371760188.db2.gz JLDGGABTHPKEDF-WFASDCNBSA-N 1 3 280.843 3.335 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000422708755 371761869 /nfs/dbraw/zinc/76/18/69/371761869.db2.gz YDGNQBYECQNMDE-SJORKVTESA-N 1 3 260.425 3.116 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000422713164 371763703 /nfs/dbraw/zinc/76/37/03/371763703.db2.gz PHWCYQRMZWMZOM-KGLIPLIRSA-N 1 3 266.816 3.087 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000422763639 371792436 /nfs/dbraw/zinc/79/24/36/371792436.db2.gz UGMVBYVXBJTUKV-MJBXVCDLSA-N 1 3 294.439 3.260 20 0 CGADHO C[C@H](NCC(C)(C)c1ccc(F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000422725513 371769562 /nfs/dbraw/zinc/76/95/62/371769562.db2.gz BNRYNFISFCFRIC-RYUDHWBXSA-N 1 3 298.833 3.344 20 0 CGADHO Cc1ccccc1OCCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422732935 371771776 /nfs/dbraw/zinc/77/17/76/371771776.db2.gz ALPQHGYYQMULPQ-HZPDHXFCSA-N 1 3 276.424 3.014 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422732756 371772371 /nfs/dbraw/zinc/77/23/71/371772371.db2.gz ALGGBLUPKZAQOA-BNEJOLLZSA-N 1 3 290.426 3.440 20 0 CGADHO Cc1cccc(OC[C@H](C)[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000422744916 371779244 /nfs/dbraw/zinc/77/92/44/371779244.db2.gz WTSQQVLIKXAWOD-ZOCIIQOWSA-N 1 3 296.414 3.497 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(F)cc2)CCCCC1 ZINC000422756281 371787983 /nfs/dbraw/zinc/78/79/83/371787983.db2.gz HQCLEJAYXRUWEA-IAGOWNOFSA-N 1 3 290.426 3.497 20 0 CGADHO CC(C)OC[C@@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000337338623 214016527 /nfs/dbraw/zinc/01/65/27/214016527.db2.gz NXJHCLQEVCXQIO-MRXNPFEDSA-N 1 3 290.451 3.186 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1ccc(Cl)cc1Cl ZINC000422829457 371830354 /nfs/dbraw/zinc/83/03/54/371830354.db2.gz UOGWUXFYPINQRJ-KGLIPLIRSA-N 1 3 287.234 3.395 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1cccc(Cl)c1 ZINC000422826619 371830859 /nfs/dbraw/zinc/83/08/59/371830859.db2.gz RCXNGBQXIZRNKA-NEPJUHHUSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422826619 371830866 /nfs/dbraw/zinc/83/08/66/371830866.db2.gz RCXNGBQXIZRNKA-NEPJUHHUSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2cccc(Cl)c2)CC1 ZINC000422770210 371794552 /nfs/dbraw/zinc/79/45/52/371794552.db2.gz PWXVVKCTPGZLPN-VXGBXAGGSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422770210 371794556 /nfs/dbraw/zinc/79/45/56/371794556.db2.gz PWXVVKCTPGZLPN-VXGBXAGGSA-N 1 3 266.816 3.087 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422772416 371796644 /nfs/dbraw/zinc/79/66/44/371796644.db2.gz YIMVZCZFVDEBDK-ZIAGYGMSSA-N 1 3 286.341 3.455 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCSCc1ccccc1F ZINC000422773531 371797012 /nfs/dbraw/zinc/79/70/12/371797012.db2.gz UIZCQZHKGUUYDW-BBRMVZONSA-N 1 3 296.455 3.037 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422773531 371797014 /nfs/dbraw/zinc/79/70/14/371797014.db2.gz UIZCQZHKGUUYDW-BBRMVZONSA-N 1 3 296.455 3.037 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCCSc1ccc(Cl)cc1 ZINC000422774533 371799334 /nfs/dbraw/zinc/79/93/34/371799334.db2.gz XJJXWXOARDJZLE-RISCZKNCSA-N 1 3 284.856 3.149 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422774533 371799338 /nfs/dbraw/zinc/79/93/38/371799338.db2.gz XJJXWXOARDJZLE-RISCZKNCSA-N 1 3 284.856 3.149 20 0 CGADHO CC(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422783136 371802639 /nfs/dbraw/zinc/80/26/39/371802639.db2.gz KRBQZBRDLPCEKS-WFVVYAPDSA-N 1 3 258.409 3.256 20 0 CGADHO CCC(CC)c1cc(CN[C@@H](C)CCCC[NH3+])on1 ZINC000422782616 371804087 /nfs/dbraw/zinc/80/40/87/371804087.db2.gz JWDXQMVJOVISSL-LBPRGKRZSA-N 1 3 267.417 3.185 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422791246 371811769 /nfs/dbraw/zinc/81/17/69/371811769.db2.gz YIVWWDHOQPUFOQ-KYJSFNMBSA-N 1 3 290.451 3.296 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422811964 371825348 /nfs/dbraw/zinc/82/53/48/371825348.db2.gz VOACRLHNUYORFK-AXFHLTTASA-N 1 3 290.329 3.362 20 0 CGADHO CC(C)CC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000422873046 371848521 /nfs/dbraw/zinc/84/85/21/371848521.db2.gz JPPFKTSQIPUVOD-YIONKMFJSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc3sccc3c2)CC[N@@H+]1C ZINC000289947487 371859474 /nfs/dbraw/zinc/85/94/74/371859474.db2.gz WFOLLLABHHVTIQ-WFASDCNBSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947487 371859479 /nfs/dbraw/zinc/85/94/79/371859479.db2.gz WFOLLLABHHVTIQ-WFASDCNBSA-N 1 3 274.433 3.474 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000422895566 371859947 /nfs/dbraw/zinc/85/99/47/371859947.db2.gz GEAKEKWQQPKMEI-AEFFLSMTSA-N 1 3 290.451 3.132 20 0 CGADHO Cc1cccc(C2(C[NH2+][C@H](C)C3CNC3)CCCCC2)c1 ZINC000422900122 371860762 /nfs/dbraw/zinc/86/07/62/371860762.db2.gz PWXHKBFLSWFEFK-MRXNPFEDSA-N 1 3 286.463 3.394 20 0 CGADHO Cc1cccc(C2(CN[C@H](C)C3C[NH2+]C3)CCCCC2)c1 ZINC000422900122 371860769 /nfs/dbraw/zinc/86/07/69/371860769.db2.gz PWXHKBFLSWFEFK-MRXNPFEDSA-N 1 3 286.463 3.394 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCCc2cccc(F)c2)c2ccccc21 ZINC000422909677 371862714 /nfs/dbraw/zinc/86/27/14/371862714.db2.gz OQFSDTAJKATDIM-ROUUACIJSA-N 1 3 284.378 3.493 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCc3ccccc32)c2ccccc21 ZINC000422912447 371865926 /nfs/dbraw/zinc/86/59/26/371865926.db2.gz WCVQMFMGSYTZEH-ZMYBRWDISA-N 1 3 278.399 3.451 20 0 CGADHO CCCC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCC1 ZINC000422924404 371873669 /nfs/dbraw/zinc/87/36/69/371873669.db2.gz AZRNVQDETDQKQI-ZDUSSCGKSA-N 1 3 275.440 3.470 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422929911 371876327 /nfs/dbraw/zinc/87/63/27/371876327.db2.gz RWJKONRVQYNDNZ-DLBZAZTESA-N 1 3 272.436 3.116 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccc(C(C)(C)C)cc1 ZINC000422931394 371878006 /nfs/dbraw/zinc/87/80/06/371878006.db2.gz XPMFKVAKKKXWQT-KBPBESRZSA-N 1 3 278.440 3.078 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccccc1 ZINC000422857751 371842523 /nfs/dbraw/zinc/84/25/23/371842523.db2.gz YXUAOSUGAAFDBY-HLLBOEOZSA-N 1 3 260.425 3.158 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000423050676 371935929 /nfs/dbraw/zinc/93/59/29/371935929.db2.gz ZEKGULVHHVGHHZ-WNRNVDISSA-N 1 3 296.499 3.481 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000422984639 371902057 /nfs/dbraw/zinc/90/20/57/371902057.db2.gz BEHDUJRDGGSZAD-JQFCIGGWSA-N 1 3 276.399 3.310 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c2ccccc21 ZINC000422987338 371903284 /nfs/dbraw/zinc/90/32/84/371903284.db2.gz FYLYMAHYVCFWGR-LTFPLMDUSA-N 1 3 290.410 3.307 20 0 CGADHO FC1(F)CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422995190 371905886 /nfs/dbraw/zinc/90/58/86/371905886.db2.gz XIFUCSDWAQPJDH-IGQOVBAYSA-N 1 3 272.383 3.075 20 0 CGADHO CCCOc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000422994426 371906794 /nfs/dbraw/zinc/90/67/94/371906794.db2.gz VMSIVRCHQJYUBZ-AEFFLSMTSA-N 1 3 290.451 3.125 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@@H]2CCNCC[C@H]2C)c(C)c1 ZINC000423007663 371911854 /nfs/dbraw/zinc/91/18/54/371911854.db2.gz YFGPUHWRZKKMES-RDTXWAMCSA-N 1 3 274.452 3.132 20 0 CGADHO CS[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000423028367 371924401 /nfs/dbraw/zinc/92/44/01/371924401.db2.gz GFZJGAUSNMJHAT-KBUPBQIOSA-N 1 3 284.513 3.274 20 0 CGADHO CS[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000423039008 371928141 /nfs/dbraw/zinc/92/81/41/371928141.db2.gz ZQZKEFXTXIWIOO-XHDPSFHLSA-N 1 3 295.496 3.277 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000423045995 371931299 /nfs/dbraw/zinc/93/12/99/371931299.db2.gz DSGGUIWUWHSKLJ-CVEARBPZSA-N 1 3 272.392 3.491 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)C1(c2ccccc2)CCCC1 ZINC000423045414 371932008 /nfs/dbraw/zinc/93/20/08/371932008.db2.gz CBUYJEVHCFZIJE-LSDHHAIUSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H](N[C@@H](C)C1C[NH2+]C1)C1(c2ccccc2)CCCC1 ZINC000423045414 371932016 /nfs/dbraw/zinc/93/20/16/371932016.db2.gz CBUYJEVHCFZIJE-LSDHHAIUSA-N 1 3 272.436 3.084 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423092009 371957829 /nfs/dbraw/zinc/95/78/29/371957829.db2.gz ADAFHYARNZDCIR-WSMBLCCSSA-N 1 3 276.399 3.179 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092748 371958696 /nfs/dbraw/zinc/95/86/96/371958696.db2.gz DFZUTJULKPLZSB-ZFZWDLNGSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092748 371958701 /nfs/dbraw/zinc/95/87/01/371958701.db2.gz DFZUTJULKPLZSB-ZFZWDLNGSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092459 371959201 /nfs/dbraw/zinc/95/92/01/371959201.db2.gz BYRGYIYAKQPWMC-WJNVRWDZSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092459 371959204 /nfs/dbraw/zinc/95/92/04/371959204.db2.gz BYRGYIYAKQPWMC-WJNVRWDZSA-N 1 3 266.816 3.301 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101990 371965779 /nfs/dbraw/zinc/96/57/79/371965779.db2.gz WTISKHJJBVGYHO-SRABZTEZSA-N 1 3 276.399 3.179 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423114088 371974693 /nfs/dbraw/zinc/97/46/93/371974693.db2.gz LHEOYFQXHNSKSL-YPMHNXCESA-N 1 3 297.393 3.325 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1COc2ccccc21 ZINC000423125511 371978389 /nfs/dbraw/zinc/97/83/89/371978389.db2.gz QTNXTZPWTLQXPX-PMPSAXMXSA-N 1 3 288.435 3.063 20 0 CGADHO C[C@H](NC[C@H]1CCCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423127582 371980847 /nfs/dbraw/zinc/98/08/47/371980847.db2.gz JSNXGUQYXRCQRI-IHRRRGAJSA-N 1 3 274.399 3.322 20 0 CGADHO CCSc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423139127 371986201 /nfs/dbraw/zinc/98/62/01/371986201.db2.gz YVEWFXSTYAQDDL-BBRMVZONSA-N 1 3 278.465 3.276 20 0 CGADHO Cc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(C)c1 ZINC000423144938 371990806 /nfs/dbraw/zinc/99/08/06/371990806.db2.gz IKBKJBXCOIEXBT-SJPCQFCGSA-N 1 3 284.447 3.208 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC/C=C\c1ccc(Br)cc1 ZINC000423160319 371996170 /nfs/dbraw/zinc/99/61/70/371996170.db2.gz QJDMRUVSHUEVRL-WGPFEIJOSA-N 1 3 297.240 3.178 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423163294 371998418 /nfs/dbraw/zinc/99/84/18/371998418.db2.gz MNMWXFOAAUSEES-DZGCQCFKSA-N 1 3 250.430 3.064 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423170266 372000021 /nfs/dbraw/zinc/00/00/21/372000021.db2.gz XQLUIVDJJVJLCI-JZAWBGDQSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(Cl)cc1 ZINC000423077801 371949828 /nfs/dbraw/zinc/94/98/28/371949828.db2.gz UPSULHVSVSOGMB-HEHGZKQESA-N 1 3 296.842 3.085 20 0 CGADHO [NH3+]CCCN[C@H](Cc1ccccc1F)c1ccccc1 ZINC000423188102 372015076 /nfs/dbraw/zinc/01/50/76/372015076.db2.gz LGLHCETVXKAXBU-QGZVFWFLSA-N 1 3 272.367 3.048 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@H]1CCC[NH2+]C1 ZINC000423215346 372035558 /nfs/dbraw/zinc/03/55/58/372035558.db2.gz QLXOXOKRNDGUKY-KDOFPFPSSA-N 1 3 297.446 3.443 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCCNC1 ZINC000423215346 372035562 /nfs/dbraw/zinc/03/55/62/372035562.db2.gz QLXOXOKRNDGUKY-KDOFPFPSSA-N 1 3 297.446 3.443 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](c1ccccc1)C1CCCC1 ZINC000423272298 372046774 /nfs/dbraw/zinc/04/67/74/372046774.db2.gz JTQINKDQDBTEEF-WMLDXEAASA-N 1 3 260.425 3.363 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)[C@H]1CCCC[C@H]1C ZINC000423271941 372046846 /nfs/dbraw/zinc/04/68/46/372046846.db2.gz HRTCSHIUIVOZOU-LEOABGAYSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423293643 372048771 /nfs/dbraw/zinc/04/87/71/372048771.db2.gz AKECKQLJFRBKPM-BREBYQMCSA-N 1 3 297.240 3.182 20 0 CGADHO N[C@@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311584 372049566 /nfs/dbraw/zinc/04/95/66/372049566.db2.gz CBIMUFKJRNJYHN-HOTGVXAUSA-N 1 3 278.827 3.434 20 0 CGADHO N[C@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)C1CC1 ZINC000423311585 372049809 /nfs/dbraw/zinc/04/98/09/372049809.db2.gz CBIMUFKJRNJYHN-HZPDHXFCSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CCN1 ZINC000423372378 372056504 /nfs/dbraw/zinc/05/65/04/372056504.db2.gz GDMSMXHYBNLFPU-SIXLDLHFSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H](c3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423372378 372056509 /nfs/dbraw/zinc/05/65/09/372056509.db2.gz GDMSMXHYBNLFPU-SIXLDLHFSA-N 1 3 272.436 3.299 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158682598 372080387 /nfs/dbraw/zinc/08/03/87/372080387.db2.gz BCZCNNWIMROLTP-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158682598 372080392 /nfs/dbraw/zinc/08/03/92/372080392.db2.gz BCZCNNWIMROLTP-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158682598 372080398 /nfs/dbraw/zinc/08/03/98/372080398.db2.gz BCZCNNWIMROLTP-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccccc1CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158682598 372080403 /nfs/dbraw/zinc/08/04/03/372080403.db2.gz BCZCNNWIMROLTP-MOPGFXCFSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000425919958 372145376 /nfs/dbraw/zinc/14/53/76/372145376.db2.gz GWADZCUUIFKTCS-JKSUJKDBSA-N 1 3 262.441 3.103 20 0 CGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1cccs1 ZINC000344292730 217135299 /nfs/dbraw/zinc/13/52/99/217135299.db2.gz GHIAGVVHSFAZRU-ZDUSSCGKSA-N 1 3 250.411 3.051 20 0 CGADHO C[C@H]1CN(CCCSc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000430929954 372406637 /nfs/dbraw/zinc/40/66/37/372406637.db2.gz YRWSIKGZTUHTKO-GXTWGEPZSA-N 1 3 298.883 3.491 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163312913 372461923 /nfs/dbraw/zinc/46/19/23/372461923.db2.gz QNZDXYGMSZGIPD-ZWKOTPCHSA-N 1 3 287.451 3.047 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000163312913 372461926 /nfs/dbraw/zinc/46/19/26/372461926.db2.gz QNZDXYGMSZGIPD-ZWKOTPCHSA-N 1 3 287.451 3.047 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377646 372573071 /nfs/dbraw/zinc/57/30/71/372573071.db2.gz QQDWQEPOKLSAGF-ZOBUZTSGSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000166377646 372573079 /nfs/dbraw/zinc/57/30/79/372573079.db2.gz QQDWQEPOKLSAGF-ZOBUZTSGSA-N 1 3 298.434 3.006 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000344489151 217208793 /nfs/dbraw/zinc/20/87/93/217208793.db2.gz XGAFGEHTOIIPTB-KBMXLJTQSA-N 1 3 250.430 3.172 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@H]12 ZINC000435391717 372757706 /nfs/dbraw/zinc/75/77/06/372757706.db2.gz XVCQTFGUHNOGIT-HYVNUMGLSA-N 1 3 282.387 3.116 20 0 CGADHO CCN(Cc1coc2ccccc12)[C@@H]1CCC[NH2+]CC1 ZINC000435395321 372758342 /nfs/dbraw/zinc/75/83/42/372758342.db2.gz SEUTYEZRGHKTAZ-OAHLLOKOSA-N 1 3 272.392 3.397 20 0 CGADHO C[C@@H]1C[C@@H]1c1ccc(CNC2CCC([NH+](C)C)CC2)o1 ZINC000353456259 220093336 /nfs/dbraw/zinc/09/33/36/220093336.db2.gz URSFBFWJQYSWCN-WOICTCIZSA-N 1 3 276.424 3.365 20 0 CGADHO C[C@H](C[NH2+]CCCCOc1ccccc1)CN1CCCC1 ZINC000438096817 372878594 /nfs/dbraw/zinc/87/85/94/372878594.db2.gz RUCFVYRYOGMPTK-QGZVFWFLSA-N 1 3 290.451 3.167 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000441452543 373019199 /nfs/dbraw/zinc/01/91/99/373019199.db2.gz WRIDOXOZUPCXQM-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000441452543 373019206 /nfs/dbraw/zinc/01/92/06/373019206.db2.gz WRIDOXOZUPCXQM-OAHLLOKOSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCSc1ccccc1Cl ZINC000442777562 373077078 /nfs/dbraw/zinc/07/70/78/373077078.db2.gz DHRWKDOWRWGWOO-STQMWFEESA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCSc1ccccc1Cl ZINC000442777562 373077089 /nfs/dbraw/zinc/07/70/89/373077089.db2.gz DHRWKDOWRWGWOO-STQMWFEESA-N 1 3 298.883 3.491 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCSc1ccccc1Cl ZINC000442777562 373077101 /nfs/dbraw/zinc/07/71/01/373077101.db2.gz DHRWKDOWRWGWOO-STQMWFEESA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298262997 373293114 /nfs/dbraw/zinc/29/31/14/373293114.db2.gz FVGYUROZZLMQGT-HNNXBMFYSA-N 1 3 299.418 3.254 20 0 CGADHO CCCc1csc(CNCC2CC[NH+](C3CC3)CC2)n1 ZINC000446885491 373374030 /nfs/dbraw/zinc/37/40/30/373374030.db2.gz XDGDSOQVUATRET-UHFFFAOYSA-N 1 3 293.480 3.060 20 0 CGADHO COC[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCCC1 ZINC000446881686 373374129 /nfs/dbraw/zinc/37/41/29/373374129.db2.gz UJZIMYBGSKLNBB-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO COC[C@@H](NCC[C@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC000446881686 373374136 /nfs/dbraw/zinc/37/41/36/373374136.db2.gz UJZIMYBGSKLNBB-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)(C)SCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298542136 373350195 /nfs/dbraw/zinc/35/01/95/373350195.db2.gz TUSALNUKNCZZSK-UHFFFAOYSA-N 1 3 293.480 3.172 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298597982 373361535 /nfs/dbraw/zinc/36/15/35/373361535.db2.gz YXLBWYSEHYPILT-HWWDLCQESA-N 1 3 287.451 3.465 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C(C)(C)C ZINC000449466218 373748011 /nfs/dbraw/zinc/74/80/11/373748011.db2.gz GEFRSIPECKKOPQ-ZNMIVQPWSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178158455 373749978 /nfs/dbraw/zinc/74/99/78/373749978.db2.gz ZFYLRMVQEDKNPM-CQSZACIVSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@](C)(CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000449477863 373764682 /nfs/dbraw/zinc/76/46/82/373764682.db2.gz QJHMWEAGHTVLQO-CGTJXYLNSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@](C)(C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000449477863 373764696 /nfs/dbraw/zinc/76/46/96/373764696.db2.gz QJHMWEAGHTVLQO-CGTJXYLNSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H]1C[C@H](NCCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000181089131 374078655 /nfs/dbraw/zinc/07/86/55/374078655.db2.gz RSKVMLMAVMNSOB-DZGCQCFKSA-N 1 3 272.392 3.048 20 0 CGADHO C[C@H]1C[C@H](NCCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089131 374078660 /nfs/dbraw/zinc/07/86/60/374078660.db2.gz RSKVMLMAVMNSOB-DZGCQCFKSA-N 1 3 272.392 3.048 20 0 CGADHO Cc1cccc(Cl)c1CN1CCC(C[NH+](C)C)CC1 ZINC000450266854 374029028 /nfs/dbraw/zinc/02/90/28/374029028.db2.gz USLOWGYXTGKEDA-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](CC)c1ccccc1F ZINC000180735929 374040834 /nfs/dbraw/zinc/04/08/34/374040834.db2.gz MEENXSDUEZRMNG-RHSMWYFYSA-N 1 3 296.430 3.223 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000450456860 374141408 /nfs/dbraw/zinc/14/14/08/374141408.db2.gz ZDILQGFVEXADPG-IIIMJFFVSA-N 1 3 276.468 3.230 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000450456860 374141415 /nfs/dbraw/zinc/14/14/15/374141415.db2.gz ZDILQGFVEXADPG-IIIMJFFVSA-N 1 3 276.468 3.230 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C(C)(C)c1ccccc1 ZINC000181802877 374173994 /nfs/dbraw/zinc/17/39/94/374173994.db2.gz GHQREAQIQCDPKU-DOTOQJQBSA-N 1 3 274.452 3.427 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000451138742 374193535 /nfs/dbraw/zinc/19/35/35/374193535.db2.gz BXAFZXPHFBPDFT-BQJWPVKWSA-N 1 3 282.472 3.043 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000451138742 374193540 /nfs/dbraw/zinc/19/35/40/374193540.db2.gz BXAFZXPHFBPDFT-BQJWPVKWSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCCC12CCCC2)CN(C)C ZINC000310791296 374225730 /nfs/dbraw/zinc/22/57/30/374225730.db2.gz UUXMZXBHKAYIDU-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO COc1ccc(F)cc1[C@@H](C)N[C@@H](C)CCCC[NH3+] ZINC000311965230 374264248 /nfs/dbraw/zinc/26/42/48/374264248.db2.gz LXOMPHHLMZAWNS-NWDGAFQWSA-N 1 3 268.376 3.002 20 0 CGADHO CCC[C@@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CCC1 ZINC000322497155 374352453 /nfs/dbraw/zinc/35/24/53/374352453.db2.gz CRBYFBDNKRQAPZ-GOEBONIOSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccccc1-n1cccn1 ZINC000183176310 374382677 /nfs/dbraw/zinc/38/26/77/374382677.db2.gz SHXDFJLGTCILGW-JKSUJKDBSA-N 1 3 298.434 3.007 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)c1C ZINC000183740450 374448419 /nfs/dbraw/zinc/44/84/19/374448419.db2.gz MIJRRISFEGGZGI-HZPDHXFCSA-N 1 3 260.425 3.438 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000184567624 374540174 /nfs/dbraw/zinc/54/01/74/374540174.db2.gz PQWQFKLCLQFFKO-CQSZACIVSA-N 1 3 260.425 3.417 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CCC1 ZINC000090856448 541964860 /nfs/dbraw/zinc/96/48/60/541964860.db2.gz ZFWLHCNUNFSBQC-CABCVRRESA-N 1 3 290.451 3.466 20 0 CGADHO CC(C)[N@H+](Cc1ccc(OCCN(C)C)cc1)C1CCC1 ZINC000093608259 541982413 /nfs/dbraw/zinc/98/24/13/541982413.db2.gz RALVTBZTZGFZND-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO CC(C)[N@@H+](Cc1ccc(OCCN(C)C)cc1)C1CCC1 ZINC000093608259 541982418 /nfs/dbraw/zinc/98/24/18/541982418.db2.gz RALVTBZTZGFZND-UHFFFAOYSA-N 1 3 290.451 3.390 20 0 CGADHO CC(C)CCOCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665602 374707186 /nfs/dbraw/zinc/70/71/86/374707186.db2.gz YCRANBHYMBVRJJ-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665602 374707192 /nfs/dbraw/zinc/70/71/92/374707192.db2.gz YCRANBHYMBVRJJ-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185665602 374707201 /nfs/dbraw/zinc/70/72/01/374707201.db2.gz YCRANBHYMBVRJJ-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC000094528254 541987882 /nfs/dbraw/zinc/98/78/82/541987882.db2.gz QADILYZGGUULHW-UKRRQHHQSA-N 1 3 258.409 3.123 20 0 CGADHO CN1CCC[C@@H]1CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186935584 374941667 /nfs/dbraw/zinc/94/16/67/374941667.db2.gz XUKLKSKVZIOKOW-MRXNPFEDSA-N 1 3 278.465 3.412 20 0 CGADHO CCN(CCc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000472747887 375031866 /nfs/dbraw/zinc/03/18/66/375031866.db2.gz JQYPWWPADRADCN-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO CCN(CCc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000472747887 375031872 /nfs/dbraw/zinc/03/18/72/375031872.db2.gz JQYPWWPADRADCN-SFHVURJKSA-N 1 3 274.452 3.425 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000472748123 375032392 /nfs/dbraw/zinc/03/23/92/375032392.db2.gz ILWISOBGKBOEGX-ZWKOTPCHSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000472748123 375032394 /nfs/dbraw/zinc/03/23/94/375032394.db2.gz ILWISOBGKBOEGX-ZWKOTPCHSA-N 1 3 272.436 3.350 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+]CCC(C)(C)C)c1 ZINC000187681592 375071045 /nfs/dbraw/zinc/07/10/45/375071045.db2.gz HEEXCGQTTKEYFA-UHFFFAOYSA-N 1 3 278.440 3.153 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000487279934 375217338 /nfs/dbraw/zinc/21/73/38/375217338.db2.gz WVWMPVCGXPKXPZ-PMPSAXMXSA-N 1 3 284.513 3.230 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H](C)CN(C)C ZINC000491557702 375331225 /nfs/dbraw/zinc/33/12/25/375331225.db2.gz CWFUFJSRIFIYBT-NSHDSACASA-N 1 3 268.832 3.244 20 0 CGADHO CCC[NH+]1CCC(CN[C@H](C)c2ncccc2CC)CC1 ZINC000507461780 375703984 /nfs/dbraw/zinc/70/39/84/375703984.db2.gz NBDDZFMCWRSEOR-OAHLLOKOSA-N 1 3 289.467 3.417 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3ncccc3c2)CC1 ZINC000336538533 375817118 /nfs/dbraw/zinc/81/71/18/375817118.db2.gz ZWXIDSVTGYPXNI-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2ccc3ncccc3c2)CC1 ZINC000336538533 375817121 /nfs/dbraw/zinc/81/71/21/375817121.db2.gz ZWXIDSVTGYPXNI-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN1CCCC1 ZINC000193460981 375880989 /nfs/dbraw/zinc/88/09/89/375880989.db2.gz MTFIFUHBHFQBQK-AWEZNQCLSA-N 1 3 264.388 3.304 20 0 CGADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CCCC1 ZINC000193460981 375880992 /nfs/dbraw/zinc/88/09/92/375880992.db2.gz MTFIFUHBHFQBQK-AWEZNQCLSA-N 1 3 264.388 3.304 20 0 CGADHO COC(C)(C)[C@@H](C)NCCC[N@H+](C)C1CCCCC1 ZINC000336809259 375961148 /nfs/dbraw/zinc/96/11/48/375961148.db2.gz ULMXJPVQBDRJFO-CQSZACIVSA-N 1 3 270.461 3.044 20 0 CGADHO COC(C)(C)[C@@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000336809259 375961153 /nfs/dbraw/zinc/96/11/53/375961153.db2.gz ULMXJPVQBDRJFO-CQSZACIVSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1cc(F)ccc1F ZINC000336791329 375942328 /nfs/dbraw/zinc/94/23/28/375942328.db2.gz NCHFAMLPCGOIFC-GHMZBOCLSA-N 1 3 256.340 3.133 20 0 CGADHO CC(C)CC[N@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000211948054 376136116 /nfs/dbraw/zinc/13/61/16/376136116.db2.gz ZSUFFBKHNJSDGL-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)CC[N@@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000211948054 376136120 /nfs/dbraw/zinc/13/61/20/376136120.db2.gz ZSUFFBKHNJSDGL-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CN(C)CCOC1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000537631536 376187764 /nfs/dbraw/zinc/18/77/64/376187764.db2.gz PTAMMPXYNZUXIO-MRXNPFEDSA-N 1 3 296.499 3.245 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000222771379 376240858 /nfs/dbraw/zinc/24/08/58/376240858.db2.gz SQJUPKJVEOBVJZ-CVEARBPZSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@H](CCc1ccco1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000222771379 376240861 /nfs/dbraw/zinc/24/08/61/376240861.db2.gz SQJUPKJVEOBVJZ-CVEARBPZSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@H](CCc1ccco1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000222771379 376240868 /nfs/dbraw/zinc/24/08/68/376240868.db2.gz SQJUPKJVEOBVJZ-CVEARBPZSA-N 1 3 278.440 3.455 20 0 CGADHO C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000226327175 376351264 /nfs/dbraw/zinc/35/12/64/376351264.db2.gz VJCKJRJPIFYZLG-RYUDHWBXSA-N 1 3 268.351 3.087 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNc2ccnc3ccccc32)C1 ZINC000227666147 376403465 /nfs/dbraw/zinc/40/34/65/376403465.db2.gz XCBUXIWTIZDLSY-OLZOCXBDSA-N 1 3 255.365 3.164 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540151288 376359386 /nfs/dbraw/zinc/35/93/86/376359386.db2.gz MLFWKMKUKBWENM-GOEBONIOSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc([C@H](C)N(C)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000226435708 376359845 /nfs/dbraw/zinc/35/98/45/376359845.db2.gz XPNOXJNJGWAFNA-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCCNC2)c(C)c1 ZINC000226435708 376359847 /nfs/dbraw/zinc/35/98/47/376359847.db2.gz XPNOXJNJGWAFNA-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCCNC2)c(C)c1 ZINC000226435708 376359848 /nfs/dbraw/zinc/35/98/48/376359848.db2.gz XPNOXJNJGWAFNA-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000540152259 376361330 /nfs/dbraw/zinc/36/13/30/376361330.db2.gz TURJIFSWRIIBOO-IAGOWNOFSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@@H](CC(C)C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000540152259 376361331 /nfs/dbraw/zinc/36/13/31/376361331.db2.gz TURJIFSWRIIBOO-IAGOWNOFSA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@@H](CC(C)C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000540152259 376361335 /nfs/dbraw/zinc/36/13/35/376361335.db2.gz TURJIFSWRIIBOO-IAGOWNOFSA-N 1 3 284.488 3.005 20 0 CGADHO CCCC(CCC)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000540173473 376362402 /nfs/dbraw/zinc/36/24/02/376362402.db2.gz GCWNUIAWCJHBFL-IYBDPMFKSA-N 1 3 284.488 3.434 20 0 CGADHO CC(C)C1CC([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000232536821 376582805 /nfs/dbraw/zinc/58/28/05/376582805.db2.gz ILKZZEXJTLAQSX-FHERZECASA-N 1 3 252.446 3.275 20 0 CGADHO C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN4CCC[C@@H]4C3)C[C@H]2C1 ZINC000339076650 376663124 /nfs/dbraw/zinc/66/31/24/376663124.db2.gz WIAIYIBQZCIVBL-NQNKBUKLSA-N 1 3 262.441 3.172 20 0 CGADHO CC[NH+]1CCC(NCc2cc3ccccc3s2)CC1 ZINC000236919534 376712897 /nfs/dbraw/zinc/71/28/97/376712897.db2.gz TUTFMNGQXBCIDI-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO Cc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000237537737 376749439 /nfs/dbraw/zinc/74/94/39/376749439.db2.gz GVSXWOVEYGINCU-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000237537737 376749449 /nfs/dbraw/zinc/74/94/49/376749449.db2.gz GVSXWOVEYGINCU-CQSZACIVSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1ccc(CCCN(CCC[NH3+])Cc2ccccc2)cn1 ZINC000339407299 376750660 /nfs/dbraw/zinc/75/06/60/376750660.db2.gz JENPSHUZLNOOJO-UHFFFAOYSA-N 1 3 297.446 3.174 20 0 CGADHO CC1=CC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000556811859 376883112 /nfs/dbraw/zinc/88/31/12/376883112.db2.gz YSHDPWWTMDZPOD-JKSUJKDBSA-N 1 3 250.430 3.339 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246414405 377026453 /nfs/dbraw/zinc/02/64/53/377026453.db2.gz BTCXMKNJNRPEFQ-PKOBYXMFSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246414405 377026458 /nfs/dbraw/zinc/02/64/58/377026458.db2.gz BTCXMKNJNRPEFQ-PKOBYXMFSA-N 1 3 284.447 3.444 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1F ZINC000246873043 377109405 /nfs/dbraw/zinc/10/94/05/377109405.db2.gz DBPAPNUZBTXZBM-SOUVJXGZSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1F ZINC000246873043 377109408 /nfs/dbraw/zinc/10/94/08/377109408.db2.gz DBPAPNUZBTXZBM-SOUVJXGZSA-N 1 3 294.414 3.055 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000246886872 377111931 /nfs/dbraw/zinc/11/19/31/377111931.db2.gz FFUBXIHNJJPGES-BFYDXBDKSA-N 1 3 260.425 3.122 20 0 CGADHO Cc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000246886872 377111936 /nfs/dbraw/zinc/11/19/36/377111936.db2.gz FFUBXIHNJJPGES-BFYDXBDKSA-N 1 3 260.425 3.122 20 0 CGADHO CC(C)[NH+](CCCN[C@@H](C)[C@@]1(C)CCCO1)C(C)C ZINC000340517640 377115799 /nfs/dbraw/zinc/11/57/99/377115799.db2.gz FBOCRKBYGGDLCH-JKSUJKDBSA-N 1 3 270.461 3.043 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1C ZINC000246594502 377057923 /nfs/dbraw/zinc/05/79/23/377057923.db2.gz ZRMXOJFHEYAFHJ-GVDBMIGSSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1C ZINC000246594502 377057928 /nfs/dbraw/zinc/05/79/28/377057928.db2.gz ZRMXOJFHEYAFHJ-GVDBMIGSSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)n1cc([C@H](C)NCCCCC[NH+]2CCCC2)cn1 ZINC000340474091 377086520 /nfs/dbraw/zinc/08/65/20/377086520.db2.gz OWNYXSIOZGYVGW-INIZCTEOSA-N 1 3 292.471 3.381 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000559431817 377087105 /nfs/dbraw/zinc/08/71/05/377087105.db2.gz AGNABHSQZLCPTJ-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000559431817 377087107 /nfs/dbraw/zinc/08/71/07/377087107.db2.gz AGNABHSQZLCPTJ-LSDHHAIUSA-N 1 3 252.446 3.229 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093694 377157619 /nfs/dbraw/zinc/15/76/19/377157619.db2.gz PNXOYXHSHLNBLV-YOEHRIQHSA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093694 377157628 /nfs/dbraw/zinc/15/76/28/377157628.db2.gz PNXOYXHSHLNBLV-YOEHRIQHSA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000247093694 377157638 /nfs/dbraw/zinc/15/76/38/377157638.db2.gz PNXOYXHSHLNBLV-YOEHRIQHSA-N 1 3 272.436 3.340 20 0 CGADHO CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248417502 377314816 /nfs/dbraw/zinc/31/48/16/377314816.db2.gz RHUCNPSVZWAGKP-XOYOTBSWSA-N 1 3 272.436 3.285 20 0 CGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2ccoc2)[C@@H](C)C1 ZINC000248197991 377280734 /nfs/dbraw/zinc/28/07/34/377280734.db2.gz XSCWMGOCMFYXLQ-UXLLHSPISA-N 1 3 294.439 3.067 20 0 CGADHO Cc1ccc(Br)cc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563423775 377461855 /nfs/dbraw/zinc/46/18/55/377461855.db2.gz IZQPNUFMWWWYST-ZIAGYGMSSA-N 1 3 297.240 3.117 20 0 CGADHO Cc1nccnc1[C@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000249203571 377478202 /nfs/dbraw/zinc/47/82/02/377478202.db2.gz USKPELCAXGRDBZ-CABCVRRESA-N 1 3 290.455 3.090 20 0 CGADHO Cc1nccnc1[C@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000249203571 377478213 /nfs/dbraw/zinc/47/82/13/377478213.db2.gz USKPELCAXGRDBZ-CABCVRRESA-N 1 3 290.455 3.090 20 0 CGADHO C[C@H](C[NH2+]CC1CCCCCC1)CN1CCCC1 ZINC000089560228 249028805 /nfs/dbraw/zinc/02/88/05/249028805.db2.gz FJHUMIUSVNWAGM-OAHLLOKOSA-N 1 3 252.446 3.278 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000090721559 249029466 /nfs/dbraw/zinc/02/94/66/249029466.db2.gz ZVGTZUQHRRNZMQ-KBXCAEBGSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc3ccccc3c2)CC[N@H+]1C ZINC000090721559 249029467 /nfs/dbraw/zinc/02/94/67/249029467.db2.gz ZVGTZUQHRRNZMQ-KBXCAEBGSA-N 1 3 268.404 3.412 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166456133 542175403 /nfs/dbraw/zinc/17/54/03/542175403.db2.gz ABMZXRGWZYTHMC-IAGOWNOFSA-N 1 3 284.447 3.243 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166456133 542175404 /nfs/dbraw/zinc/17/54/04/542175404.db2.gz ABMZXRGWZYTHMC-IAGOWNOFSA-N 1 3 284.447 3.243 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCc2sccc21 ZINC000250152033 377555132 /nfs/dbraw/zinc/55/51/32/377555132.db2.gz AVWJQZMGCBCJKC-YUTCNCBUSA-N 1 3 264.438 3.233 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000469860617 249160077 /nfs/dbraw/zinc/16/00/77/249160077.db2.gz GGJQFHJHZWXEPC-GDBMZVCRSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@H](CCc1ccccc1)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470020160 249165797 /nfs/dbraw/zinc/16/57/97/249165797.db2.gz XCUYQQRYYBJVMQ-YJJAZYOBSA-N 1 3 286.463 3.470 20 0 CGADHO CCc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250261894 377557232 /nfs/dbraw/zinc/55/72/32/377557232.db2.gz DGJREHZYNUWBJG-KZNAEPCWSA-N 1 3 272.436 3.259 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000514615334 249183287 /nfs/dbraw/zinc/18/32/87/249183287.db2.gz TZQZBVNWLIRYIM-LSDHHAIUSA-N 1 3 289.398 3.099 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000251481362 377584256 /nfs/dbraw/zinc/58/42/56/377584256.db2.gz ORCNUOQVAHXNFH-CHPDAQJUSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000251481362 377584267 /nfs/dbraw/zinc/58/42/67/377584267.db2.gz ORCNUOQVAHXNFH-CHPDAQJUSA-N 1 3 284.447 3.457 20 0 CGADHO C[C@@H](c1ccccc1F)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000251599708 377590195 /nfs/dbraw/zinc/59/01/95/377590195.db2.gz YZUFKTITFLLNSR-UONOGXRCSA-N 1 3 264.388 3.208 20 0 CGADHO CC(C)[C@H](NCc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000517373132 249264206 /nfs/dbraw/zinc/26/42/06/249264206.db2.gz DXFDUWDVDGOINE-KRWDZBQOSA-N 1 3 269.392 3.027 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251843627 377599829 /nfs/dbraw/zinc/59/98/29/377599829.db2.gz LVQQKPHZPJNHNB-JONQDZQNSA-N 1 3 252.446 3.418 20 0 CGADHO CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000253296192 377683175 /nfs/dbraw/zinc/68/31/75/377683175.db2.gz OAWWJJYJQKWVGH-RBSFLKMASA-N 1 3 270.486 3.125 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1(C2CC2)CC1 ZINC000261564045 377817943 /nfs/dbraw/zinc/81/79/43/377817943.db2.gz CGVXAVRUIFSDDI-XHSDSOJGSA-N 1 3 262.441 3.077 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583700 377823297 /nfs/dbraw/zinc/82/32/97/377823297.db2.gz RVUXLJKJTAGACR-ZFWWWQNUSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000261583700 377823301 /nfs/dbraw/zinc/82/33/01/377823301.db2.gz RVUXLJKJTAGACR-ZFWWWQNUSA-N 1 3 252.446 3.262 20 0 CGADHO Fc1ccc([C@H]2CCCCN2CC2CC[NH2+]CC2)c(F)c1 ZINC000261638466 377830618 /nfs/dbraw/zinc/83/06/18/377830618.db2.gz AAVTWRNXBWXKNH-QGZVFWFLSA-N 1 3 294.389 3.491 20 0 CGADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261641230 377832205 /nfs/dbraw/zinc/83/22/05/377832205.db2.gz ABAZTNVOHRYMGR-UHOSZYNNSA-N 1 3 297.446 3.221 20 0 CGADHO COc1ccc(CN2CC[C@](C)(C[NH3+])C2)c2ccccc12 ZINC000261670321 377837030 /nfs/dbraw/zinc/83/70/30/377837030.db2.gz LKOFOFNXGRREEO-GOSISDBHSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc(C[N@@H+]2CC[C@](C)(CN)C2)c2ccccc12 ZINC000261670321 377837034 /nfs/dbraw/zinc/83/70/34/377837034.db2.gz LKOFOFNXGRREEO-GOSISDBHSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc(C[N@H+]2CC[C@](C)(CN)C2)c2ccccc12 ZINC000261670321 377837040 /nfs/dbraw/zinc/83/70/40/377837040.db2.gz LKOFOFNXGRREEO-GOSISDBHSA-N 1 3 284.403 3.019 20 0 CGADHO C[C@]1(CN2CC[C@@H](CSc3ccccc3)C2)CC[NH2+]C1 ZINC000261681805 377839359 /nfs/dbraw/zinc/83/93/59/377839359.db2.gz AHOMJCLNZLWRNG-WBVHZDCISA-N 1 3 290.476 3.100 20 0 CGADHO C[NH2+]CC1CCN(Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000261926390 377869600 /nfs/dbraw/zinc/86/96/00/377869600.db2.gz ITMSYHWRGMKFAW-UHFFFAOYSA-N 1 3 299.418 3.081 20 0 CGADHO C[C@]1(CN2CCC[C@@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134573 377888845 /nfs/dbraw/zinc/88/88/45/377888845.db2.gz YNNUPRHALFCUOM-QAPCUYQASA-N 1 3 290.426 3.395 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261781035 377853754 /nfs/dbraw/zinc/85/37/54/377853754.db2.gz PMUMLHFJZMULAC-LZQZEXGQSA-N 1 3 280.415 3.422 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261781035 377853760 /nfs/dbraw/zinc/85/37/60/377853760.db2.gz PMUMLHFJZMULAC-LZQZEXGQSA-N 1 3 280.415 3.422 20 0 CGADHO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000261809334 377857707 /nfs/dbraw/zinc/85/77/07/377857707.db2.gz HNYHTZUTHUPBEH-SOLBZPMBSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000261809334 377857709 /nfs/dbraw/zinc/85/77/09/377857709.db2.gz HNYHTZUTHUPBEH-SOLBZPMBSA-N 1 3 272.436 3.172 20 0 CGADHO C[C@@H](O)[C@@H](C)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000578232067 378048870 /nfs/dbraw/zinc/04/88/70/378048870.db2.gz GWBWTSPIXNMRTM-OWCLPIDISA-N 1 3 290.451 3.009 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2cccc3ccccc32)C1 ZINC000578549706 378079741 /nfs/dbraw/zinc/07/97/41/378079741.db2.gz XCLNGINYJKRFRH-HZPDHXFCSA-N 1 3 284.403 3.078 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccc(Cl)cc1 ZINC000579140792 378134117 /nfs/dbraw/zinc/13/41/17/378134117.db2.gz RHYGOMDBCDTOSV-CABCVRRESA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000579140792 378134121 /nfs/dbraw/zinc/13/41/21/378134121.db2.gz RHYGOMDBCDTOSV-CABCVRRESA-N 1 3 280.843 3.477 20 0 CGADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)CN1CCCC1 ZINC000268872762 378138451 /nfs/dbraw/zinc/13/84/51/378138451.db2.gz PNHKPQNTJBTFEE-RHSMWYFYSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000579353655 378152938 /nfs/dbraw/zinc/15/29/38/378152938.db2.gz GUCFIQQEAYZMCM-YOEHRIQHSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353655 378152942 /nfs/dbraw/zinc/15/29/42/378152942.db2.gz GUCFIQQEAYZMCM-YOEHRIQHSA-N 1 3 276.399 3.005 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@]2(C1)CCCNC2)c1ccc(F)cc1 ZINC000579353655 378152946 /nfs/dbraw/zinc/15/29/46/378152946.db2.gz GUCFIQQEAYZMCM-YOEHRIQHSA-N 1 3 276.399 3.005 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)CC1 ZINC000565435394 322077925 /nfs/dbraw/zinc/07/79/25/322077925.db2.gz VEARPTPRDZOOPD-CVEARBPZSA-N 1 3 250.430 3.291 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+]([C@H]2C=CCCCCC2)CC1 ZINC000565435394 322077927 /nfs/dbraw/zinc/07/79/27/322077927.db2.gz VEARPTPRDZOOPD-CVEARBPZSA-N 1 3 250.430 3.291 20 0 CGADHO C[NH+](C)[C@@H]1CCCN([C@H]2C=CCCCCC2)CC1 ZINC000565435394 322077928 /nfs/dbraw/zinc/07/79/28/322077928.db2.gz VEARPTPRDZOOPD-CVEARBPZSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]([NH2+]Cc1cccn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272188300 378580060 /nfs/dbraw/zinc/58/00/60/378580060.db2.gz LQDQXARFWVQFEC-AEFFLSMTSA-N 1 3 297.446 3.025 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000346498202 378596261 /nfs/dbraw/zinc/59/62/61/378596261.db2.gz XLJXLZDQVOYHSD-MRXNPFEDSA-N 1 3 260.425 3.417 20 0 CGADHO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000346966107 378699909 /nfs/dbraw/zinc/69/99/09/378699909.db2.gz CNPBOSJFKYAAHE-CPUCHLNUSA-N 1 3 276.399 3.208 20 0 CGADHO c1ccc(SC[C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346975590 378701527 /nfs/dbraw/zinc/70/15/27/378701527.db2.gz JLXZTLCDIAKUBQ-HOTGVXAUSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)cc1 ZINC000346975590 378701535 /nfs/dbraw/zinc/70/15/35/378701535.db2.gz JLXZTLCDIAKUBQ-HOTGVXAUSA-N 1 3 290.476 3.100 20 0 CGADHO c1ccc(SC[C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346975590 378701541 /nfs/dbraw/zinc/70/15/41/378701541.db2.gz JLXZTLCDIAKUBQ-HOTGVXAUSA-N 1 3 290.476 3.100 20 0 CGADHO Cc1cc(CNCCCC[NH+]2CCC(C)CC2)sn1 ZINC000638370700 378783199 /nfs/dbraw/zinc/78/31/99/378783199.db2.gz MWAQOXSEGGBOPI-UHFFFAOYSA-N 1 3 281.469 3.053 20 0 CGADHO Cc1cc(NC[C@H](c2ccccc2)N(C)C)cc[nH+]1 ZINC000274338005 378813454 /nfs/dbraw/zinc/81/34/54/378813454.db2.gz HNGOECOHGMWKPJ-MRXNPFEDSA-N 1 3 255.365 3.105 20 0 CGADHO CC(C)O[C@H](CNC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000638589743 378843307 /nfs/dbraw/zinc/84/33/07/378843307.db2.gz XUHSTZGSEYOHOT-FUHWJXTLSA-N 1 3 290.451 3.084 20 0 CGADHO CC(C)O[C@H](CNC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000638589743 378843311 /nfs/dbraw/zinc/84/33/11/378843311.db2.gz XUHSTZGSEYOHOT-FUHWJXTLSA-N 1 3 290.451 3.084 20 0 CGADHO Fc1cc(Cl)ccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278527071 194027944 /nfs/dbraw/zinc/02/79/44/194027944.db2.gz UEVWUJQYTOPJBZ-UHFFFAOYSA-N 1 3 296.817 3.443 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccccc1F ZINC000346973621 218074928 /nfs/dbraw/zinc/07/49/28/218074928.db2.gz YXOTUJYDVWHJQT-MRXNPFEDSA-N 1 3 278.415 3.174 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccccc1F ZINC000346973621 218074929 /nfs/dbraw/zinc/07/49/29/218074929.db2.gz YXOTUJYDVWHJQT-MRXNPFEDSA-N 1 3 278.415 3.174 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)c1C ZINC000346985500 218079960 /nfs/dbraw/zinc/07/99/60/218079960.db2.gz OTPDVJKHUJWYGX-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)c1C ZINC000346985500 218079962 /nfs/dbraw/zinc/07/99/62/218079962.db2.gz OTPDVJKHUJWYGX-WMZOPIPTSA-N 1 3 272.436 3.440 20 0 CGADHO CC(C)c1ncc(CN2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000347014845 218092999 /nfs/dbraw/zinc/09/29/99/218092999.db2.gz ABCUBDNWNFIEOI-OAHLLOKOSA-N 1 3 293.480 3.231 20 0 CGADHO CC[NH+]1CCC(NC[C@H](C)Oc2ccc(Cl)cc2)CC1 ZINC000277188881 379093181 /nfs/dbraw/zinc/09/31/81/379093181.db2.gz UOXXBYKSHHDZMU-ZDUSSCGKSA-N 1 3 296.842 3.181 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277350465 379138699 /nfs/dbraw/zinc/13/86/99/379138699.db2.gz WRIJPZAJUJRPDM-RDJZCZTQSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277350465 379138706 /nfs/dbraw/zinc/13/87/06/379138706.db2.gz WRIJPZAJUJRPDM-RDJZCZTQSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277350465 379138712 /nfs/dbraw/zinc/13/87/12/379138712.db2.gz WRIJPZAJUJRPDM-RDJZCZTQSA-N 1 3 260.425 3.472 20 0 CGADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(C)s1 ZINC000349357442 379246633 /nfs/dbraw/zinc/24/66/33/379246633.db2.gz WXTXYFBRNZOHEK-UHFFFAOYSA-N 1 3 266.454 3.364 20 0 CGADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(C)s1 ZINC000349357442 379246641 /nfs/dbraw/zinc/24/66/41/379246641.db2.gz WXTXYFBRNZOHEK-UHFFFAOYSA-N 1 3 266.454 3.364 20 0 CGADHO CCOc1cccc(C[N@H+](CC)CCCN2CCCC2)c1 ZINC000349411841 379274500 /nfs/dbraw/zinc/27/45/00/379274500.db2.gz BEXUTKCGHHPQCB-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO CCOc1cccc(C[N@@H+](CC)CCCN2CCCC2)c1 ZINC000349411841 379274510 /nfs/dbraw/zinc/27/45/10/379274510.db2.gz BEXUTKCGHHPQCB-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO Cc1ccc2[nH]c(C[NH2+]CCCN3CCCC3)cc2c1C ZINC000349662164 379336082 /nfs/dbraw/zinc/33/60/82/379336082.db2.gz AINVZHURUVZQRI-UHFFFAOYSA-N 1 3 285.435 3.360 20 0 CGADHO CCC1(N(C)C)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000639378893 379337667 /nfs/dbraw/zinc/33/76/67/379337667.db2.gz TYFVCJXTWNOYSU-OWCLPIDISA-N 1 3 264.457 3.229 20 0 CGADHO CCC1([NH+](C)C)CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000639378893 379337676 /nfs/dbraw/zinc/33/76/76/379337676.db2.gz TYFVCJXTWNOYSU-OWCLPIDISA-N 1 3 264.457 3.229 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2NCCC[NH+](C)C ZINC000349833004 379411231 /nfs/dbraw/zinc/41/12/31/379411231.db2.gz XPPVUGGNDLOFGK-MRXNPFEDSA-N 1 3 260.425 3.222 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C/C=C/c2ccccc2)CC1 ZINC000374326549 379421252 /nfs/dbraw/zinc/42/12/52/379421252.db2.gz SUCJPSDLOXIURG-WEVVVXLNSA-N 1 3 270.420 3.260 20 0 CGADHO CN1CCC2(CCC[N@H+]2C/C=C/c2ccccc2)CC1 ZINC000374326549 379421264 /nfs/dbraw/zinc/42/12/64/379421264.db2.gz SUCJPSDLOXIURG-WEVVVXLNSA-N 1 3 270.420 3.260 20 0 CGADHO C[NH+]1CCC2(CCCN2C/C=C/c2ccccc2)CC1 ZINC000374326549 379421274 /nfs/dbraw/zinc/42/12/74/379421274.db2.gz SUCJPSDLOXIURG-WEVVVXLNSA-N 1 3 270.420 3.260 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000352536004 379846624 /nfs/dbraw/zinc/84/66/24/379846624.db2.gz YHGOHXIXNJHVQN-SFHVURJKSA-N 1 3 272.436 3.187 20 0 CGADHO COc1ccc([C@@H](C)C[N@@H+]2CCCC[C@H]2CCN)cc1 ZINC000352535227 379846895 /nfs/dbraw/zinc/84/68/95/379846895.db2.gz OADVVVLZNWBCFG-HOCLYGCPSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@@H](C)C[N@H+]2CCCC[C@H]2CCN)cc1 ZINC000352535227 379846902 /nfs/dbraw/zinc/84/69/02/379846902.db2.gz OADVVVLZNWBCFG-HOCLYGCPSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@@H](C)CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352535227 379846910 /nfs/dbraw/zinc/84/69/10/379846910.db2.gz OADVVVLZNWBCFG-HOCLYGCPSA-N 1 3 276.424 3.002 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 ZINC000352540987 379849368 /nfs/dbraw/zinc/84/93/68/379849368.db2.gz RYPZLEFNQMFNRC-GOSISDBHSA-N 1 3 295.430 3.452 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000380480443 379865536 /nfs/dbraw/zinc/86/55/36/379865536.db2.gz UHNMQUXXDQWABS-HUUCEWRRSA-N 1 3 278.440 3.322 20 0 CGADHO C[C@@H](c1cccnc1)N(C)CCCC[NH+]1CCCCC1 ZINC000640530984 379818907 /nfs/dbraw/zinc/81/89/07/379818907.db2.gz KPBCDDPUUDSUJE-INIZCTEOSA-N 1 3 275.440 3.341 20 0 CGADHO Cc1nc(CCN(C)CCCC[NH+]2CCCCC2)cs1 ZINC000640533439 379819169 /nfs/dbraw/zinc/81/91/69/379819169.db2.gz RQHYGXUJTWGFGC-UHFFFAOYSA-N 1 3 295.496 3.192 20 0 CGADHO Cc1cnccc1CN(C)CCCC[NH+]1CCCCC1 ZINC000640533064 379820581 /nfs/dbraw/zinc/82/05/81/379820581.db2.gz BNYULUTWDWEGQZ-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO Cc1cc(CN(C)CCCC[NH+]2CCCCC2)ccn1 ZINC000640534322 379820699 /nfs/dbraw/zinc/82/06/99/379820699.db2.gz PPBRIDLKCMRKNX-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO Cc1cc([C@H](C)NCCC2CC[NH+](C)CC2)oc1C ZINC000282315974 379897606 /nfs/dbraw/zinc/89/76/06/379897606.db2.gz UCNVZWWZEHSYAT-ZDUSSCGKSA-N 1 3 264.413 3.279 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000352759564 379943586 /nfs/dbraw/zinc/94/35/86/379943586.db2.gz JZOATCAGOASIKI-HNNXBMFYSA-N 1 3 272.392 3.254 20 0 CGADHO C[C@H](C[N@H+](C)CC[C@H]1CCCN1C)c1ccccc1 ZINC000409445693 380033167 /nfs/dbraw/zinc/03/31/67/380033167.db2.gz HJRDQJULMOAVAL-NVXWUHKLSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H](C[N@@H+](C)CC[C@H]1CCCN1C)c1ccccc1 ZINC000409445693 380033172 /nfs/dbraw/zinc/03/31/72/380033172.db2.gz HJRDQJULMOAVAL-NVXWUHKLSA-N 1 3 260.425 3.206 20 0 CGADHO Cc1nc(-c2ccccc2)oc1CN1CCC(CC[NH3+])CC1 ZINC000641822973 380114753 /nfs/dbraw/zinc/11/47/53/380114753.db2.gz ORKPQKKIIUDGGV-UHFFFAOYSA-N 1 3 299.418 3.211 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H](NCC[NH2+]C3CC3)C2)cc1 ZINC000643507324 380330796 /nfs/dbraw/zinc/33/07/96/380330796.db2.gz ZCWNXBQSRGYQTK-SJLPKXTDSA-N 1 3 272.436 3.445 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1CCCc2ccccc2C1 ZINC000643513821 380333519 /nfs/dbraw/zinc/33/35/19/380333519.db2.gz RTAXTCWQQYRMEI-MRXNPFEDSA-N 1 3 260.425 3.041 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000643465389 380313321 /nfs/dbraw/zinc/31/33/21/380313321.db2.gz CWBCGWCDNUXJPI-QOKNQOGYSA-N 1 3 295.430 3.131 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1ccccc1Cl ZINC000643467482 380315128 /nfs/dbraw/zinc/31/51/28/380315128.db2.gz KJKZAIVWHJJZMG-BZUAXINKSA-N 1 3 296.842 3.277 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643548709 380365006 /nfs/dbraw/zinc/36/50/06/380365006.db2.gz UBPZQOQHOQWFIG-RANZSIQMSA-N 1 3 284.447 3.443 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548678 380365226 /nfs/dbraw/zinc/36/52/26/380365226.db2.gz SXUXKEGXETVLAW-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000643548927 380365474 /nfs/dbraw/zinc/36/54/74/380365474.db2.gz XQBISSQVRHJTPJ-UONOGXRCSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2CN)cc2cccnc12 ZINC000414768256 380396449 /nfs/dbraw/zinc/39/64/49/380396449.db2.gz LOGWVPMHZPIJKM-CXAGYDPISA-N 1 3 283.419 3.102 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2CN)cc2cccnc12 ZINC000414768256 380396458 /nfs/dbraw/zinc/39/64/58/380396458.db2.gz LOGWVPMHZPIJKM-CXAGYDPISA-N 1 3 283.419 3.102 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526098 380340654 /nfs/dbraw/zinc/34/06/54/380340654.db2.gz PDUZYDMVSNLZSF-KGLIPLIRSA-N 1 3 264.413 3.109 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000643523839 380341340 /nfs/dbraw/zinc/34/13/40/380341340.db2.gz AAJMSUKXLGLHNE-UBHSHLNASA-N 1 3 250.361 3.055 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000643524431 380341434 /nfs/dbraw/zinc/34/14/34/380341434.db2.gz CNBMHKQSWWDWML-SUJAAXHWSA-N 1 3 252.446 3.035 20 0 CGADHO Fc1ccc2c(c1)[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCS2 ZINC000643533909 380348547 /nfs/dbraw/zinc/34/85/47/380348547.db2.gz HQXFQGYWCJCYMG-ZFWWWQNUSA-N 1 3 292.423 3.094 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000643534368 380349262 /nfs/dbraw/zinc/34/92/62/380349262.db2.gz SKXJZRNOXDRUFG-BXUZGUMPSA-N 1 3 296.361 3.081 20 0 CGADHO C[C@H]1C[C@@H](N[C@H]2CC23CC[NH2+]CC3)c2ccsc2S1 ZINC000643534913 380351294 /nfs/dbraw/zinc/35/12/94/380351294.db2.gz FOYYYVMFQVDTNL-UHTWSYAYSA-N 1 3 294.489 3.405 20 0 CGADHO CC[NH2+]CCNC1CCC(C)(c2ccccc2)CC1 ZINC000414820308 380432713 /nfs/dbraw/zinc/43/27/13/380432713.db2.gz CCKINDLHOIMNJA-UHFFFAOYSA-N 1 3 260.425 3.086 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000414791329 380406617 /nfs/dbraw/zinc/40/66/17/380406617.db2.gz HQDCWNAHVAKCKV-GWCFXTLKSA-N 1 3 273.207 3.210 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2ccccc2c1 ZINC000414793625 380409162 /nfs/dbraw/zinc/40/91/62/380409162.db2.gz KZFNHFSVKJSMJF-IRXDYDNUSA-N 1 3 254.377 3.057 20 0 CGADHO CCSc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414800077 380413234 /nfs/dbraw/zinc/41/32/34/380413234.db2.gz KOKSYRXARABPON-ZBFHGGJFSA-N 1 3 278.465 3.406 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414801863 380414400 /nfs/dbraw/zinc/41/44/00/380414400.db2.gz ATJPZUWOMPZBAM-NUEKZKHPSA-N 1 3 260.425 3.286 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)CCc1ccccc1F ZINC000414803042 380415947 /nfs/dbraw/zinc/41/59/47/380415947.db2.gz CLBLYSJGNKGZPI-ZDUSSCGKSA-N 1 3 266.404 3.254 20 0 CGADHO C[C@H](CCc1cccc(C(F)(F)F)c1)NCC(C)(C)[NH3+] ZINC000414807624 380419784 /nfs/dbraw/zinc/41/97/84/380419784.db2.gz RPKSUONBAZJLOX-LLVKDONJSA-N 1 3 288.357 3.353 20 0 CGADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)NCC(C)(C)[NH3+] ZINC000414807627 380420019 /nfs/dbraw/zinc/42/00/19/380420019.db2.gz RPKSUONBAZJLOX-NSHDSACASA-N 1 3 288.357 3.353 20 0 CGADHO COc1cc(CNCc2ccc([C@@H](C)[NH3+])cc2)ccc1C ZINC000414811134 380422476 /nfs/dbraw/zinc/42/24/76/380422476.db2.gz JAQNHRONHJWEKL-CQSZACIVSA-N 1 3 284.403 3.313 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414906746 380484533 /nfs/dbraw/zinc/48/45/33/380484533.db2.gz MNPXMVVOPUHEBV-BZUAXINKSA-N 1 3 252.446 3.325 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919488 380489030 /nfs/dbraw/zinc/48/90/30/380489030.db2.gz XDDFUYFKADQGRL-QZTJIDSGSA-N 1 3 274.452 3.377 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919489 380489559 /nfs/dbraw/zinc/48/95/59/380489559.db2.gz XDDFUYFKADQGRL-ROUUACIJSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@@H](CCC1CCCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000414918582 380490358 /nfs/dbraw/zinc/49/03/58/380490358.db2.gz SIMVWWIMTYJMEI-GOEBONIOSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414926849 380491406 /nfs/dbraw/zinc/49/14/06/380491406.db2.gz NTETZJUACLFZHP-OLZOCXBDSA-N 1 3 258.365 3.101 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414927837 380491910 /nfs/dbraw/zinc/49/19/10/380491910.db2.gz ACQQCNRBWYWRJO-LALPHHSUSA-N 1 3 266.816 3.001 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414927837 380491917 /nfs/dbraw/zinc/49/19/17/380491917.db2.gz ACQQCNRBWYWRJO-LALPHHSUSA-N 1 3 266.816 3.001 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CCN1 ZINC000414940588 380497280 /nfs/dbraw/zinc/49/72/80/380497280.db2.gz BUDHZXHBCCVRSG-VZEFYGNVSA-N 1 3 276.399 3.192 20 0 CGADHO C[C@@H](C[NH2+]C1(C)CCNCC1)c1cccc(Cl)c1 ZINC000414938362 380497772 /nfs/dbraw/zinc/49/77/72/380497772.db2.gz IMBNHSRNHPDAPO-LBPRGKRZSA-N 1 3 266.816 3.175 20 0 CGADHO C[C@@H](CNC1(C)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000414938362 380497777 /nfs/dbraw/zinc/49/77/77/380497777.db2.gz IMBNHSRNHPDAPO-LBPRGKRZSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414947206 380502268 /nfs/dbraw/zinc/50/22/68/380502268.db2.gz VQGDTNSQHWQDLT-UHFFFAOYSA-N 1 3 260.425 3.216 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000415085177 380507310 /nfs/dbraw/zinc/50/73/10/380507310.db2.gz QJTOLOZLKMROPN-MRXNPFEDSA-N 1 3 274.452 3.116 20 0 CGADHO CCc1ccc(C(C)(C)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000415085177 380507316 /nfs/dbraw/zinc/50/73/16/380507316.db2.gz QJTOLOZLKMROPN-MRXNPFEDSA-N 1 3 274.452 3.116 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(-c2ccc(F)cc2)s1 ZINC000414873980 380468443 /nfs/dbraw/zinc/46/84/43/380468443.db2.gz AHMWJKALNLDXFC-LLVKDONJSA-N 1 3 278.396 3.381 20 0 CGADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCCCC(C)C)cc1 ZINC000414878254 380472134 /nfs/dbraw/zinc/47/21/34/380472134.db2.gz GWNYVHNHAHUCIH-ZWKOTPCHSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H](CC[NH3+])NCc1cc(-c2ccccc2)cs1 ZINC000414890634 380475878 /nfs/dbraw/zinc/47/58/78/380475878.db2.gz UJXOCZXRMDFJDF-LBPRGKRZSA-N 1 3 260.406 3.242 20 0 CGADHO C[C@@H](CCc1ccc(OC(F)F)cc1)NCC1([NH3+])CCC1 ZINC000414887146 380476366 /nfs/dbraw/zinc/47/63/66/380476366.db2.gz YVJRBOGHZXAQAX-LBPRGKRZSA-N 1 3 298.377 3.080 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414900583 380481034 /nfs/dbraw/zinc/48/10/34/380481034.db2.gz DXMILHCUGPJWPW-CJNGLKHVSA-N 1 3 280.843 3.250 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414900583 380481043 /nfs/dbraw/zinc/48/10/43/380481043.db2.gz DXMILHCUGPJWPW-CJNGLKHVSA-N 1 3 280.843 3.250 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000418048331 380697071 /nfs/dbraw/zinc/69/70/71/380697071.db2.gz RTISWESDEPOVNL-RGVPCPSESA-N 1 3 284.447 3.397 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000348250143 218527876 /nfs/dbraw/zinc/52/78/76/218527876.db2.gz WGGOBKOYTXDYEG-FJIDUMEYSA-N 1 3 272.436 3.253 20 0 CGADHO CN1CCC[C@H]1CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000646001947 380795625 /nfs/dbraw/zinc/79/56/25/380795625.db2.gz BEUCYSWSSNSFIK-INIZCTEOSA-N 1 3 276.399 3.279 20 0 CGADHO C[C@H](c1ccccc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357092774 381024296 /nfs/dbraw/zinc/02/42/96/381024296.db2.gz XMMCTQKWPADSJD-HIFRSBDPSA-N 1 3 276.399 3.208 20 0 CGADHO CN1CCCC[C@@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361931798 381874909 /nfs/dbraw/zinc/87/49/09/381874909.db2.gz YXPRZMOZCZBXGB-PBHICJAKSA-N 1 3 288.435 3.234 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc2cnccc21)CN1CCCCC1 ZINC000237380340 542317976 /nfs/dbraw/zinc/31/79/76/542317976.db2.gz KJPPCVWZJNQPRX-INIZCTEOSA-N 1 3 297.446 3.446 20 0 CGADHO COc1ccccc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366950819 382326709 /nfs/dbraw/zinc/32/67/09/382326709.db2.gz GZKRAGYECFQCFQ-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246867886 542328971 /nfs/dbraw/zinc/32/89/71/542328971.db2.gz QWKSEMJFIMOGEQ-SJORKVTESA-N 1 3 297.446 3.317 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246867886 542328974 /nfs/dbraw/zinc/32/89/74/542328974.db2.gz QWKSEMJFIMOGEQ-SJORKVTESA-N 1 3 297.446 3.317 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340007 296343241 /nfs/dbraw/zinc/34/32/41/296343241.db2.gz RTDQRPOXECBWRS-NXHRZFHOSA-N 1 3 294.483 3.046 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000423274534 533060894 /nfs/dbraw/zinc/06/08/94/533060894.db2.gz MFDMYQRVFNTXMF-OBJOEFQTSA-N 1 3 264.438 3.187 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000339074052 542486225 /nfs/dbraw/zinc/48/62/25/542486225.db2.gz IILZGNBXFZKFPM-LTIDMASMSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339074052 542486227 /nfs/dbraw/zinc/48/62/27/542486227.db2.gz IILZGNBXFZKFPM-LTIDMASMSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074052 542486228 /nfs/dbraw/zinc/48/62/28/542486228.db2.gz IILZGNBXFZKFPM-LTIDMASMSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348077727 542514040 /nfs/dbraw/zinc/51/40/40/542514040.db2.gz DZAMDNMFNHGDKI-BMFZPTHFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccccc1Cl ZINC000423557772 533374173 /nfs/dbraw/zinc/37/41/73/533374173.db2.gz NRLZMJZEXLUFPA-GFCCVEGCSA-N 1 3 264.800 3.300 20 0 CGADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1CNC1 ZINC000423320229 533479232 /nfs/dbraw/zinc/47/92/32/533479232.db2.gz MFJVXQOPWOKGSD-ZDUSSCGKSA-N 1 3 285.435 3.033 20 0 CGADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)NCC1C[NH2+]C1 ZINC000423320229 533479240 /nfs/dbraw/zinc/47/92/40/533479240.db2.gz MFJVXQOPWOKGSD-ZDUSSCGKSA-N 1 3 285.435 3.033 20 0 CGADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccccn1 ZINC000423494850 533509103 /nfs/dbraw/zinc/50/91/03/533509103.db2.gz BCUVDXFHQKTETN-PBHICJAKSA-N 1 3 269.392 3.212 20 0 CGADHO Cc1[nH]c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2c1C ZINC000365220096 533622158 /nfs/dbraw/zinc/62/21/58/533622158.db2.gz LOMZCVNTDPRXIK-ALOPSCKCSA-N 1 3 297.446 3.500 20 0 CGADHO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389241997 542607523 /nfs/dbraw/zinc/60/75/23/542607523.db2.gz KYFLZYHCSTZMMO-DOTOQJQBSA-N 1 3 298.434 3.007 20 0 CGADHO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389241997 542607527 /nfs/dbraw/zinc/60/75/27/542607527.db2.gz KYFLZYHCSTZMMO-DOTOQJQBSA-N 1 3 298.434 3.007 20 0 CGADHO CCCCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414931808 542641160 /nfs/dbraw/zinc/64/11/60/542641160.db2.gz UZCPGXMRDBSJNA-HOTGVXAUSA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000423083648 542647120 /nfs/dbraw/zinc/64/71/20/542647120.db2.gz ZDTKMUVVLHXZLU-RDTXWAMCSA-N 1 3 272.436 3.432 20 0 CGADHO C[NH2+]C[C@H]1CCN([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000071142359 392188691 /nfs/dbraw/zinc/18/86/91/392188691.db2.gz FAHWDGOYZCXIOZ-HUUCEWRRSA-N 1 3 260.425 3.412 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000249383509 131120954 /nfs/dbraw/zinc/12/09/54/131120954.db2.gz VVIKRLXOWQCFRY-CHWSQXEVSA-N 1 3 298.377 3.280 20 0 CGADHO FCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075650 392469572 /nfs/dbraw/zinc/46/95/72/392469572.db2.gz WGTVKGAJNQXDJP-GDBMZVCRSA-N 1 3 268.420 3.075 20 0 CGADHO FCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367075650 392469575 /nfs/dbraw/zinc/46/95/75/392469575.db2.gz WGTVKGAJNQXDJP-GDBMZVCRSA-N 1 3 268.420 3.075 20 0 CGADHO FCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075652 392469171 /nfs/dbraw/zinc/46/91/71/392469171.db2.gz WGTVKGAJNQXDJP-HOCLYGCPSA-N 1 3 268.420 3.075 20 0 CGADHO FCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367075652 392469177 /nfs/dbraw/zinc/46/91/77/392469177.db2.gz WGTVKGAJNQXDJP-HOCLYGCPSA-N 1 3 268.420 3.075 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000178040370 392670177 /nfs/dbraw/zinc/67/01/77/392670177.db2.gz LZFBXDRYMGDZIP-XHSDSOJGSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccco1 ZINC000647343028 392690099 /nfs/dbraw/zinc/69/00/99/392690099.db2.gz AMHBQVNORAURMU-UAGQMJEPSA-N 1 3 284.403 3.276 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(Cl)c1 ZINC000181422640 392730110 /nfs/dbraw/zinc/73/01/10/392730110.db2.gz XERYSADKMKRDSL-DOMZBBRYSA-N 1 3 266.816 3.475 20 0 CGADHO c1cnc2c(c1)cccc2CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334871111 392756184 /nfs/dbraw/zinc/75/61/84/392756184.db2.gz YBGMJRZLMIHYIF-AEFFLSMTSA-N 1 3 295.430 3.199 20 0 CGADHO CC[C@H](C)Oc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000647552794 392765400 /nfs/dbraw/zinc/76/54/00/392765400.db2.gz XJPSHJZXRHMLOU-RDBSUJKOSA-N 1 3 294.439 3.088 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731320 392713520 /nfs/dbraw/zinc/71/35/20/392713520.db2.gz KCEISXRDGHJTGC-SJORKVTESA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]21 ZINC000180731320 392713524 /nfs/dbraw/zinc/71/35/24/392713524.db2.gz KCEISXRDGHJTGC-SJORKVTESA-N 1 3 264.457 3.373 20 0 CGADHO CCCN1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000510249565 392790822 /nfs/dbraw/zinc/79/08/22/392790822.db2.gz ADYPZMXKZBFBRT-ONEGZZNKSA-N 1 3 294.389 3.442 20 0 CGADHO C[C@H](CN1CCCC[C@H]1C)C[N@@H+]1CCCC[C@@H]1C ZINC000510261810 392792415 /nfs/dbraw/zinc/79/24/15/392792415.db2.gz QJULSJRBKVGBMS-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@H](CN1CCCC[C@H]1C)C[N@H+]1CCCC[C@@H]1C ZINC000510261810 392792422 /nfs/dbraw/zinc/79/24/22/392792422.db2.gz QJULSJRBKVGBMS-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@@H](CN1CCCC[C@@H]1C)C[N@@H+]1CCCC[C@H]1C ZINC000510261810 392792427 /nfs/dbraw/zinc/79/24/27/392792427.db2.gz QJULSJRBKVGBMS-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@@H](CN1CCCC[C@@H]1C)C[N@H+]1CCCC[C@H]1C ZINC000510261810 392792432 /nfs/dbraw/zinc/79/24/32/392792432.db2.gz QJULSJRBKVGBMS-PHZGNYQRSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CCNCC1)CC2 ZINC000335568792 392799026 /nfs/dbraw/zinc/79/90/26/392799026.db2.gz SLBORZWODHXODK-KRWDZBQOSA-N 1 3 258.409 3.139 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)CC(F)F ZINC000647800907 392803704 /nfs/dbraw/zinc/80/37/04/392803704.db2.gz LTGCIGFGAHXOFB-XDQVBPFNSA-N 1 3 274.399 3.178 20 0 CGADHO CN(C)[C@H](CNc1[nH+]ccc2[nH]ccc21)c1cccc(F)c1 ZINC000647847270 392813575 /nfs/dbraw/zinc/81/35/75/392813575.db2.gz CEUOJVQVPSTNKP-MRXNPFEDSA-N 1 3 298.365 3.417 20 0 CGADHO CCN(Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000647878598 392821459 /nfs/dbraw/zinc/82/14/59/392821459.db2.gz SMYVBTIYSCCLEC-MRXNPFEDSA-N 1 3 268.404 3.271 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194270083 392910668 /nfs/dbraw/zinc/91/06/68/392910668.db2.gz TUNKZFLUMOZRSP-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000376409178 392877790 /nfs/dbraw/zinc/87/77/90/392877790.db2.gz MOORVPZBADEFEY-AOCRQIFASA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2(C3CC3)CCC2)c2ccccc21 ZINC000391478829 392927660 /nfs/dbraw/zinc/92/76/60/392927660.db2.gz YALIIBQNPQBQLR-HZPDHXFCSA-N 1 3 256.393 3.301 20 0 CGADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000220492194 393004017 /nfs/dbraw/zinc/00/40/17/393004017.db2.gz DVCMYRLVFBPCEZ-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000220492194 393004022 /nfs/dbraw/zinc/00/40/22/393004022.db2.gz DVCMYRLVFBPCEZ-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2ccc(Cl)cc2F)C1 ZINC000415000132 393086074 /nfs/dbraw/zinc/08/60/74/393086074.db2.gz KAKKCNMLUZXJFG-GWCFXTLKSA-N 1 3 270.779 3.086 20 0 CGADHO Cc1ccc(CN[C@H](C)CCCC[NH3+])c(Br)c1 ZINC000415011337 393093418 /nfs/dbraw/zinc/09/34/18/393093418.db2.gz HNFYDFKGJJDWNR-GFCCVEGCSA-N 1 3 299.256 3.365 20 0 CGADHO Cc1ccc(COc2ccc(C[NH2+][C@H](C)[C@@H](C)N)cc2)cc1 ZINC000415009614 393093520 /nfs/dbraw/zinc/09/35/20/393093520.db2.gz FZVIKRHJSPOWQZ-HZPDHXFCSA-N 1 3 298.430 3.399 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2c(C)cccc2C)CC1 ZINC000546226260 393040585 /nfs/dbraw/zinc/04/05/85/393040585.db2.gz LQUYNUVBQXVWDA-OAHLLOKOSA-N 1 3 260.425 3.438 20 0 CGADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690341 393051971 /nfs/dbraw/zinc/05/19/71/393051971.db2.gz AIIBDRXDRQKDQP-AEFFLSMTSA-N 1 3 289.467 3.263 20 0 CGADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000414690341 393051976 /nfs/dbraw/zinc/05/19/76/393051976.db2.gz AIIBDRXDRQKDQP-AEFFLSMTSA-N 1 3 289.467 3.263 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414818479 393054584 /nfs/dbraw/zinc/05/45/84/393054584.db2.gz FDWIHVHAAMTTJV-LNSITVRQSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414818479 393054590 /nfs/dbraw/zinc/05/45/90/393054590.db2.gz FDWIHVHAAMTTJV-LNSITVRQSA-N 1 3 266.816 3.303 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H](C)[C@H]2CCCNC2)cc1 ZINC000414845421 393056508 /nfs/dbraw/zinc/05/65/08/393056508.db2.gz DJRIKLZJBNMRMB-QAPCUYQASA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)c1ccc(CCN[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414845421 393056511 /nfs/dbraw/zinc/05/65/11/393056511.db2.gz DJRIKLZJBNMRMB-QAPCUYQASA-N 1 3 274.452 3.330 20 0 CGADHO CC[C@@H](C[NH2+][C@H]1CCNCC1(C)C)c1ccccc1 ZINC000414963247 393068988 /nfs/dbraw/zinc/06/89/88/393068988.db2.gz CYXHAWKDBIGNSX-HOCLYGCPSA-N 1 3 260.425 3.158 20 0 CGADHO [NH3+]CCC[C@@H](NCc1cc(O)cc(F)c1)c1ccccc1 ZINC000415045393 393110580 /nfs/dbraw/zinc/11/05/80/393110580.db2.gz BPPVQPDISSNWOQ-QGZVFWFLSA-N 1 3 288.366 3.101 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415069175 393128333 /nfs/dbraw/zinc/12/83/33/393128333.db2.gz OFWGVTNPARGPGL-DLBZAZTESA-N 1 3 276.399 3.194 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415075431 393131448 /nfs/dbraw/zinc/13/14/48/393131448.db2.gz FHPHTTWAGGAOGW-XGXHKWSGSA-N 1 3 284.447 3.227 20 0 CGADHO CCCCC1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000415088265 393140150 /nfs/dbraw/zinc/14/01/50/393140150.db2.gz WAGQIEJFLGBXNJ-HWOWSKLDSA-N 1 3 252.446 3.325 20 0 CGADHO Clc1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415091475 393142573 /nfs/dbraw/zinc/14/25/73/393142573.db2.gz QDTBQKCFLRUDFJ-GVDBMIGSSA-N 1 3 292.854 3.393 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415123230 393151819 /nfs/dbraw/zinc/15/18/19/393151819.db2.gz JFZITDIORJSUBL-ZIAGYGMSSA-N 1 3 286.419 3.412 20 0 CGADHO CCc1cccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000469729053 393209526 /nfs/dbraw/zinc/20/95/26/393209526.db2.gz NWTVHJCSOGILNX-QAPCUYQASA-N 1 3 274.452 3.411 20 0 CGADHO CCc1cccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000469729053 393209533 /nfs/dbraw/zinc/20/95/33/393209533.db2.gz NWTVHJCSOGILNX-QAPCUYQASA-N 1 3 274.452 3.411 20 0 CGADHO CCC(=O)CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245865 393384430 /nfs/dbraw/zinc/38/44/30/393384430.db2.gz QIQRQJKCXGRQPA-UHFFFAOYSA-N 1 3 294.483 3.334 20 0 CGADHO CN(C)CCOc1cccc(-c2cccc(C[NH+](C)C)c2)c1 ZINC000649436614 393428392 /nfs/dbraw/zinc/42/83/92/393428392.db2.gz MDPUDHMUORBOTO-UHFFFAOYSA-N 1 3 298.430 3.356 20 0 CGADHO c1ccc(SCCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420388403 393480821 /nfs/dbraw/zinc/48/08/21/393480821.db2.gz GVDHSOIIQQOYSD-WBVHZDCISA-N 1 3 290.476 3.243 20 0 CGADHO COC[C@H](CC(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000484453913 393445388 /nfs/dbraw/zinc/44/53/88/393445388.db2.gz CGCFOEMQMKBWOZ-INIZCTEOSA-N 1 3 282.472 3.044 20 0 CGADHO CCCc1ccc2nccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420268603 393445989 /nfs/dbraw/zinc/44/59/89/393445989.db2.gz XHNQTZOCMLCYHB-JKSUJKDBSA-N 1 3 295.430 3.233 20 0 CGADHO Cc1ccc(CN(CCC[NH3+])CC2CCCC2)c(C)n1 ZINC000420316934 393463930 /nfs/dbraw/zinc/46/39/30/393463930.db2.gz OBEVOWIPEICYQX-UHFFFAOYSA-N 1 3 275.440 3.039 20 0 CGADHO c1ccc([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccn2)cc1 ZINC000420316700 393464137 /nfs/dbraw/zinc/46/41/37/393464137.db2.gz MFEGYZDACMSJFD-QFBILLFUSA-N 1 3 295.430 3.150 20 0 CGADHO CCc1nc(C)c([C@@H](C)N(C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420321356 393465731 /nfs/dbraw/zinc/46/57/31/393465731.db2.gz RAYPCWZHQUFNDE-KGLIPLIRSA-N 1 3 295.496 3.396 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(C)Cc2cccc(C)c2)cc1 ZINC000420327373 393468384 /nfs/dbraw/zinc/46/83/84/393468384.db2.gz YOICQZMNPFNVON-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000420327373 393468391 /nfs/dbraw/zinc/46/83/91/393468391.db2.gz YOICQZMNPFNVON-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000420327373 393468402 /nfs/dbraw/zinc/46/84/02/393468402.db2.gz YOICQZMNPFNVON-GOSISDBHSA-N 1 3 298.430 3.178 20 0 CGADHO [NH3+]C[C@H](NCCOC1CCCCCC1)C1CCCCC1 ZINC000420361168 393475068 /nfs/dbraw/zinc/47/50/68/393475068.db2.gz HXEFGSCRFVTKCV-KRWDZBQOSA-N 1 3 282.472 3.223 20 0 CGADHO C[C@H](NCCC1CC[NH2+]CC1)c1cccc(F)c1F ZINC000420419275 393486512 /nfs/dbraw/zinc/48/65/12/393486512.db2.gz XLWNHMDDNUNZKD-NSHDSACASA-N 1 3 268.351 3.005 20 0 CGADHO CC(C)C1CC([NH2+]Cc2cccc(OCCN(C)C)c2)C1 ZINC000488451866 393519781 /nfs/dbraw/zinc/51/97/81/393519781.db2.gz FUJDOIKJVNFWHZ-UHFFFAOYSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)CC1CCCCC1 ZINC000666856531 542820881 /nfs/dbraw/zinc/82/08/81/542820881.db2.gz NVVMFIXQVPXWRV-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](NC/C=C\C[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000361146202 393684955 /nfs/dbraw/zinc/68/49/55/393684955.db2.gz BJZTXHSDFGVCRW-FLELRFNZSA-N 1 3 296.418 3.034 20 0 CGADHO CCc1cnccc1[C@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000361133068 393680615 /nfs/dbraw/zinc/68/06/15/393680615.db2.gz UQUDBMYNMYKODX-HOCLYGCPSA-N 1 3 275.440 3.169 20 0 CGADHO CN(CCCc1ccsc1)CC[C@H]1CCCC[N@@H+]1C ZINC000360975834 393627174 /nfs/dbraw/zinc/62/71/74/393627174.db2.gz RPBUKJGQBGMNLA-MRXNPFEDSA-N 1 3 280.481 3.487 20 0 CGADHO CN(CCCc1ccsc1)CC[C@H]1CCCC[N@H+]1C ZINC000360975834 393627175 /nfs/dbraw/zinc/62/71/75/393627175.db2.gz RPBUKJGQBGMNLA-MRXNPFEDSA-N 1 3 280.481 3.487 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432787530 393639758 /nfs/dbraw/zinc/63/97/58/393639758.db2.gz HDIMDYTXPUOUPA-WMZOPIPTSA-N 1 3 274.452 3.281 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432787530 393639761 /nfs/dbraw/zinc/63/97/61/393639761.db2.gz HDIMDYTXPUOUPA-WMZOPIPTSA-N 1 3 274.452 3.281 20 0 CGADHO C1CC[C@H]2C[C@H]([NH2+][C@@H]3CCCNCC3)CC[C@H]2C1 ZINC000422799695 393644860 /nfs/dbraw/zinc/64/48/60/393644860.db2.gz YCHHJUFUBJYCLU-QKPAOTATSA-N 1 3 250.430 3.077 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490799192 393655806 /nfs/dbraw/zinc/65/58/06/393655806.db2.gz UNGVHHZJZXUGLE-QGZVFWFLSA-N 1 3 286.463 3.387 20 0 CGADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@H](C)C[NH3+])CCCO2 ZINC000423296849 393660126 /nfs/dbraw/zinc/66/01/26/393660126.db2.gz HTDPIKNCRNWEEV-CJNGLKHVSA-N 1 3 276.424 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000423333502 393662031 /nfs/dbraw/zinc/66/20/31/393662031.db2.gz HQFQVMJPGAUVKK-QZTJIDSGSA-N 1 3 272.436 3.352 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(C)CCCNC1)CCC2 ZINC000423333502 393662036 /nfs/dbraw/zinc/66/20/36/393662036.db2.gz HQFQVMJPGAUVKK-QZTJIDSGSA-N 1 3 272.436 3.352 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000423386025 393665361 /nfs/dbraw/zinc/66/53/61/393665361.db2.gz LSDSFUNANODTBV-SQWLQELKSA-N 1 3 274.408 3.068 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc(C)c1F ZINC000423401423 393665432 /nfs/dbraw/zinc/66/54/32/393665432.db2.gz WCVXIECTEGLSMZ-AEGPPILISA-N 1 3 264.388 3.363 20 0 CGADHO C[C@H]([NH3+])[C@H](C)N[C@H]1CCC[C@H]1c1ccccc1Cl ZINC000423453046 393667722 /nfs/dbraw/zinc/66/77/22/393667722.db2.gz XCEBAVFOUPRZEJ-UHXUCMFUSA-N 1 3 266.816 3.301 20 0 CGADHO Clc1ccc(Cl)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952050 542828123 /nfs/dbraw/zinc/82/81/23/542828123.db2.gz DIZKALGPKFQILL-CYBMUJFWSA-N 1 3 285.218 3.225 20 0 CGADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995789 542833894 /nfs/dbraw/zinc/83/38/94/542833894.db2.gz ZYJVNPHSKQZYGG-BZUAXINKSA-N 1 3 262.441 3.220 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000449644035 393933518 /nfs/dbraw/zinc/93/35/18/393933518.db2.gz ZSMYQWKPOCFIDG-DKIMLUQUSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449644035 393933522 /nfs/dbraw/zinc/93/35/22/393933522.db2.gz ZSMYQWKPOCFIDG-DKIMLUQUSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@@H](NCCCC[N@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453419380 394240847 /nfs/dbraw/zinc/24/08/47/394240847.db2.gz ZAAIHSAFHLKNQB-OAHLLOKOSA-N 1 3 279.403 3.136 20 0 CGADHO CC[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453419380 394240850 /nfs/dbraw/zinc/24/08/50/394240850.db2.gz ZAAIHSAFHLKNQB-OAHLLOKOSA-N 1 3 279.403 3.136 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)O1 ZINC000453418315 394240896 /nfs/dbraw/zinc/24/08/96/394240896.db2.gz WFJMVBCKBDTALK-LMSBXDPUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CNCCCC[N@H+](C)C2CC2)o1 ZINC000453590753 394252374 /nfs/dbraw/zinc/25/23/74/394252374.db2.gz BESQLAIAVDIDIU-XJKSGUPXSA-N 1 3 276.424 3.367 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CNCCCC[N@@H+](C)C2CC2)o1 ZINC000453590753 394252378 /nfs/dbraw/zinc/25/23/78/394252378.db2.gz BESQLAIAVDIDIU-XJKSGUPXSA-N 1 3 276.424 3.367 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000453141853 394185681 /nfs/dbraw/zinc/18/56/81/394185681.db2.gz UCPZQUVEUUDNEH-NXHRZFHOSA-N 1 3 289.467 3.255 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422702693 292081071 /nfs/dbraw/zinc/08/10/71/292081071.db2.gz FUXOQVULPYXCLU-WBVHZDCISA-N 1 3 274.452 3.380 20 0 CGADHO CSc1cccc(F)c1CN[C@H](C)C1CC[NH+](C)CC1 ZINC000671764882 543188109 /nfs/dbraw/zinc/18/81/09/543188109.db2.gz FNBWGJLRHKZCOE-GFCCVEGCSA-N 1 3 296.455 3.368 20 0 CGADHO C[C@H](c1cccc2ccccc21)[N@@H+]1CCC[C@H](N)C1 ZINC000041027692 397611124 /nfs/dbraw/zinc/61/11/24/397611124.db2.gz PNTPXZZIXQNRDM-HIFRSBDPSA-N 1 3 254.377 3.324 20 0 CGADHO C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](N)C1 ZINC000041027692 397611127 /nfs/dbraw/zinc/61/11/27/397611127.db2.gz PNTPXZZIXQNRDM-HIFRSBDPSA-N 1 3 254.377 3.324 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CC2CCC1CC2 ZINC000394388668 397695168 /nfs/dbraw/zinc/69/51/68/397695168.db2.gz ZCHCJSVPRYWIKO-OTBWCIGPSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1C(F)(F)F ZINC000419744122 397700420 /nfs/dbraw/zinc/70/04/20/397700420.db2.gz HZVYIMANSTUYEO-NSHDSACASA-N 1 3 288.357 3.301 20 0 CGADHO [NH3+]CC1(CCNCc2csc(-c3ccsc3)n2)CC1 ZINC000650712391 397899757 /nfs/dbraw/zinc/89/97/57/397899757.db2.gz CFAAUSKUGDOIFC-UHFFFAOYSA-N 1 3 293.461 3.090 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1sccc1C ZINC000650718358 397901443 /nfs/dbraw/zinc/90/14/43/397901443.db2.gz IILBWIDDPDUWFD-UHFFFAOYSA-N 1 3 260.406 3.066 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650742320 397905180 /nfs/dbraw/zinc/90/51/80/397905180.db2.gz VWDDYHGKUAMNNW-RFBLXINOSA-N 1 3 264.457 3.321 20 0 CGADHO C[C@@H](CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675499887 543345281 /nfs/dbraw/zinc/34/52/81/543345281.db2.gz QYBLAAYWSSAJIO-KRWDZBQOSA-N 1 3 295.430 3.225 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677237931 543440450 /nfs/dbraw/zinc/44/04/50/543440450.db2.gz RBZLKMOKODUTNZ-ROUUACIJSA-N 1 3 286.463 3.489 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677237931 543440452 /nfs/dbraw/zinc/44/04/52/543440452.db2.gz RBZLKMOKODUTNZ-ROUUACIJSA-N 1 3 286.463 3.489 20 0 CGADHO CC(C)C[N@H+](Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000678153638 543489374 /nfs/dbraw/zinc/48/93/74/543489374.db2.gz YQZRAGTVXCBMTH-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)C[N@@H+](Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000678153638 543489376 /nfs/dbraw/zinc/48/93/76/543489376.db2.gz YQZRAGTVXCBMTH-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO CN1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000678079333 543482373 /nfs/dbraw/zinc/48/23/73/543482373.db2.gz LKUJNGYQODQINI-INIZCTEOSA-N 1 3 276.399 3.279 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000678735734 543551664 /nfs/dbraw/zinc/55/16/64/543551664.db2.gz XORUWCCTEORSQQ-ZBFHGGJFSA-N 1 3 276.424 3.220 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000554385499 289280227 /nfs/dbraw/zinc/28/02/27/289280227.db2.gz ALRKSSLAOFNRDG-HWMZRRJGSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1ccc([C@H](NC[C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC000423220987 292260286 /nfs/dbraw/zinc/26/02/86/292260286.db2.gz YZOFMQKMJIKBAS-MAUKXSAKSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@H]2CCCNC2)C2CCC2)cc1 ZINC000423220987 292260287 /nfs/dbraw/zinc/26/02/87/292260287.db2.gz YZOFMQKMJIKBAS-MAUKXSAKSA-N 1 3 272.436 3.425 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)CN1CCCCC1 ZINC000037997620 286889074 /nfs/dbraw/zinc/88/90/74/286889074.db2.gz HOVPFHFXYBYSJF-LPHOPBHVSA-N 1 3 286.463 3.256 20 0 CGADHO Cc1cc(C)c(CNC[C@H](C)C[NH+]2CCCC2)cc1C ZINC000057994197 286951328 /nfs/dbraw/zinc/95/13/28/286951328.db2.gz KXJBPRPODBQEKY-AWEZNQCLSA-N 1 3 274.452 3.433 20 0 CGADHO C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)CN1CCCC1 ZINC000062077989 286960043 /nfs/dbraw/zinc/96/00/43/286960043.db2.gz XJLOKIZKDIPDDS-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075834452 287029016 /nfs/dbraw/zinc/02/90/16/287029016.db2.gz JAIWOGAJVMLFDS-KRWDZBQOSA-N 1 3 272.436 3.303 20 0 CGADHO Cc1ccccc1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075834452 287029017 /nfs/dbraw/zinc/02/90/17/287029017.db2.gz JAIWOGAJVMLFDS-KRWDZBQOSA-N 1 3 272.436 3.303 20 0 CGADHO C[C@@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423118479 287037796 /nfs/dbraw/zinc/03/77/96/287037796.db2.gz ASUWNAIDGOBKOU-FDYHWXHSSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCN1 ZINC000423118479 287037798 /nfs/dbraw/zinc/03/77/98/287037798.db2.gz ASUWNAIDGOBKOU-FDYHWXHSSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](N[C@@H](C)Cc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422860738 287049289 /nfs/dbraw/zinc/04/92/89/287049289.db2.gz MUFBRQOFQHDNQA-VHSXEESVSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl)C1CNC1 ZINC000422860738 287049291 /nfs/dbraw/zinc/04/92/91/287049291.db2.gz MUFBRQOFQHDNQA-VHSXEESVSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@@H](N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423158269 287067203 /nfs/dbraw/zinc/06/72/03/287067203.db2.gz NTQDMUGHZRRWGL-VOAKCMCISA-N 1 3 278.362 3.228 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCCN1 ZINC000423158269 287067208 /nfs/dbraw/zinc/06/72/08/287067208.db2.gz NTQDMUGHZRRWGL-VOAKCMCISA-N 1 3 278.362 3.228 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cccc(COC)c2)CC1 ZINC000088553501 165195472 /nfs/dbraw/zinc/19/54/72/165195472.db2.gz XGRDCAMDDGAFCZ-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(OCCN(C)C)c1 ZINC000090036114 165225537 /nfs/dbraw/zinc/22/55/37/165225537.db2.gz ANDNXHYSHQSPEK-DOTOQJQBSA-N 1 3 288.435 3.386 20 0 CGADHO C[C@@H]1C[C@@H](Nc2ccnc3ccccc32)CC[N@@H+]1C ZINC000090795312 165244520 /nfs/dbraw/zinc/24/45/20/165244520.db2.gz RJRILGRNQPLCEA-OLZOCXBDSA-N 1 3 255.365 3.129 20 0 CGADHO C[C@@H]1C[C@@H](Nc2ccnc3ccccc32)CC[N@H+]1C ZINC000090795312 165244521 /nfs/dbraw/zinc/24/45/21/165244521.db2.gz RJRILGRNQPLCEA-OLZOCXBDSA-N 1 3 255.365 3.129 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000092746236 165310410 /nfs/dbraw/zinc/31/04/10/165310410.db2.gz RLANBYGSARVKKN-HNNXBMFYSA-N 1 3 283.419 3.384 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000092746236 165310413 /nfs/dbraw/zinc/31/04/13/165310413.db2.gz RLANBYGSARVKKN-HNNXBMFYSA-N 1 3 283.419 3.384 20 0 CGADHO c1cc(CNC2CC[NH+](C3CC3)CC2)cc(C2CC2)c1 ZINC000094518971 165352107 /nfs/dbraw/zinc/35/21/07/165352107.db2.gz MQHZUXSYLOUNHZ-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1(C)C ZINC000185235101 165746918 /nfs/dbraw/zinc/74/69/18/165746918.db2.gz HFJYNRUMUVWZHW-QKPAOTATSA-N 1 3 282.472 3.041 20 0 CGADHO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000123062993 287215514 /nfs/dbraw/zinc/21/55/14/287215514.db2.gz CPOBAPDGKJRDQM-ZWKOTPCHSA-N 1 3 294.483 3.331 20 0 CGADHO CO[C@@H]1CCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000123062993 287215515 /nfs/dbraw/zinc/21/55/15/287215515.db2.gz CPOBAPDGKJRDQM-ZWKOTPCHSA-N 1 3 294.483 3.331 20 0 CGADHO CCOc1ccccc1[C@@H](C)NCCC1CC[NH+](C)CC1 ZINC000125445304 287244672 /nfs/dbraw/zinc/24/46/72/287244672.db2.gz QWLXNEKBFFRSBG-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000021810434 171328781 /nfs/dbraw/zinc/32/87/81/171328781.db2.gz SSUKIGIIDVPDQV-SFHVURJKSA-N 1 3 272.436 3.386 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000125965529 287253912 /nfs/dbraw/zinc/25/39/12/287253912.db2.gz VOTOTXDTYQOYTP-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H](NC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000037267041 173077824 /nfs/dbraw/zinc/07/78/24/173077824.db2.gz ZIVOMYXFTABRHR-NSHDSACASA-N 1 3 284.350 3.033 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@]2(C)CCOC2)CC1 ZINC000358713272 287311487 /nfs/dbraw/zinc/31/14/87/287311487.db2.gz KDXKBQZHPXOYCI-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000358713272 287311490 /nfs/dbraw/zinc/31/14/90/287311490.db2.gz KDXKBQZHPXOYCI-KBAYOESNSA-N 1 3 294.483 3.046 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC000311084412 416531286 /nfs/dbraw/zinc/53/12/86/416531286.db2.gz GPYGWLALQICHGM-HOTGVXAUSA-N 1 3 250.430 3.018 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC000311084412 416531290 /nfs/dbraw/zinc/53/12/90/416531290.db2.gz GPYGWLALQICHGM-HOTGVXAUSA-N 1 3 250.430 3.018 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000404429440 416553615 /nfs/dbraw/zinc/55/36/15/416553615.db2.gz NRAXPJILXOLECQ-ABAIWWIYSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)c(C)s1 ZINC000404429440 416553616 /nfs/dbraw/zinc/55/36/16/416553616.db2.gz NRAXPJILXOLECQ-ABAIWWIYSA-N 1 3 266.454 3.314 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)c(C)s1 ZINC000404429440 416553618 /nfs/dbraw/zinc/55/36/18/416553618.db2.gz NRAXPJILXOLECQ-ABAIWWIYSA-N 1 3 266.454 3.314 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCc2ccccc2)[C@@H]1CCN ZINC000404412392 416553756 /nfs/dbraw/zinc/55/37/56/416553756.db2.gz YQQVUUPGUVIRHF-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCc2ccccc2)[C@@H]1CCN ZINC000404412392 416553760 /nfs/dbraw/zinc/55/37/60/416553760.db2.gz YQQVUUPGUVIRHF-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1CCCN(Cc2cnc3ccccc3c2)[C@H]1CC[NH3+] ZINC000404405216 416555587 /nfs/dbraw/zinc/55/55/87/416555587.db2.gz UIUWVKIRALLXAF-KSSFIOAISA-N 1 3 283.419 3.184 20 0 CGADHO CCO[C@@H]1CN([C@H](C)c2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000405600275 416559082 /nfs/dbraw/zinc/55/90/82/416559082.db2.gz PCIOMYCBPNUCAW-IDHHARJASA-N 1 3 298.430 3.196 20 0 CGADHO CCO[C@@H]1C[N@@H+]([C@H](C)c2cccc3ccccc32)C[C@H]1CN ZINC000405600275 416559087 /nfs/dbraw/zinc/55/90/87/416559087.db2.gz PCIOMYCBPNUCAW-IDHHARJASA-N 1 3 298.430 3.196 20 0 CGADHO CCO[C@@H]1C[N@H+]([C@H](C)c2cccc3ccccc32)C[C@H]1CN ZINC000405600275 416559090 /nfs/dbraw/zinc/55/90/90/416559090.db2.gz PCIOMYCBPNUCAW-IDHHARJASA-N 1 3 298.430 3.196 20 0 CGADHO c1cc(C[NH+]2CCCCCC2)ccc1CNC1CSC1 ZINC000679625674 543650767 /nfs/dbraw/zinc/65/07/67/543650767.db2.gz KHORWKQHRBZUOJ-UHFFFAOYSA-N 1 3 290.476 3.268 20 0 CGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000422936471 299000437 /nfs/dbraw/zinc/00/04/37/299000437.db2.gz IFMPORJJMNYGLT-WMUVLYSMSA-N 1 3 296.499 3.181 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)c(C)n1 ZINC000680636110 543721792 /nfs/dbraw/zinc/72/17/92/543721792.db2.gz YJCWHARXRZXDBI-OAHLLOKOSA-N 1 3 289.467 3.471 20 0 CGADHO Cc1nc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000683694548 543933527 /nfs/dbraw/zinc/93/35/27/543933527.db2.gz XRUZWZUGZASDPF-LLVKDONJSA-N 1 3 293.480 3.285 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832434 543946704 /nfs/dbraw/zinc/94/67/04/543946704.db2.gz SSYHNNMMFWQECL-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832434 543946705 /nfs/dbraw/zinc/94/67/05/543946705.db2.gz SSYHNNMMFWQECL-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832434 543946706 /nfs/dbraw/zinc/94/67/06/543946706.db2.gz SSYHNNMMFWQECL-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4cnccc4c3)CC[C@H]21 ZINC000683832434 543946707 /nfs/dbraw/zinc/94/67/07/543946707.db2.gz SSYHNNMMFWQECL-RTBURBONSA-N 1 3 295.430 3.151 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCC[C@H](OC)C1 ZINC000684369118 543987210 /nfs/dbraw/zinc/98/72/10/543987210.db2.gz RSXQEPFHFMLUQO-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684369118 543987213 /nfs/dbraw/zinc/98/72/13/543987213.db2.gz RSXQEPFHFMLUQO-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CCCN(C)C ZINC000685452043 544072015 /nfs/dbraw/zinc/07/20/15/544072015.db2.gz HUDLBOCRXYIRBU-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CCCN(C)C ZINC000685452043 544072016 /nfs/dbraw/zinc/07/20/16/544072016.db2.gz HUDLBOCRXYIRBU-UHFFFAOYSA-N 1 3 288.357 3.397 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471133 544078371 /nfs/dbraw/zinc/07/83/71/544078371.db2.gz OENQQBFXLXFPFV-PKOBYXMFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2C2CC2)C1 ZINC000685471133 544078372 /nfs/dbraw/zinc/07/83/72/544078372.db2.gz OENQQBFXLXFPFV-PKOBYXMFSA-N 1 3 284.447 3.480 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000658330457 418938167 /nfs/dbraw/zinc/93/81/67/418938167.db2.gz RYUGJKBVIVKKGJ-KRWDZBQOSA-N 1 3 296.499 3.434 20 0 CGADHO CSc1ccccc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355856 418956772 /nfs/dbraw/zinc/95/67/72/418956772.db2.gz JZMKYOXPYZEIBY-ZFWWWQNUSA-N 1 3 278.465 3.358 20 0 CGADHO CC(C)=CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956633 419045503 /nfs/dbraw/zinc/04/55/03/419045503.db2.gz LIIHMWFISAOKNP-INIZCTEOSA-N 1 3 250.430 3.151 20 0 CGADHO CC(C)=CCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659956633 419045508 /nfs/dbraw/zinc/04/55/08/419045508.db2.gz LIIHMWFISAOKNP-INIZCTEOSA-N 1 3 250.430 3.151 20 0 CGADHO CC(C)=CCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659956633 419045511 /nfs/dbraw/zinc/04/55/11/419045511.db2.gz LIIHMWFISAOKNP-INIZCTEOSA-N 1 3 250.430 3.151 20 0 CGADHO C(CC1CCC1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659955785 419045624 /nfs/dbraw/zinc/04/56/24/419045624.db2.gz DDUUBSXHZCNDMO-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCC1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659955785 419045625 /nfs/dbraw/zinc/04/56/25/419045625.db2.gz DDUUBSXHZCNDMO-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO C(CC1CCC1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000659955785 419045629 /nfs/dbraw/zinc/04/56/29/419045629.db2.gz DDUUBSXHZCNDMO-KRWDZBQOSA-N 1 3 264.457 3.375 20 0 CGADHO CN(C)C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659838141 419005966 /nfs/dbraw/zinc/00/59/66/419005966.db2.gz KFJKOPKUCGYOQY-MRXNPFEDSA-N 1 3 272.436 3.133 20 0 CGADHO Cc1cc(C)cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665245669 419089668 /nfs/dbraw/zinc/08/96/68/419089668.db2.gz OXLGMJVVJXNBLT-OKZBNKHCSA-N 1 3 272.436 3.314 20 0 CGADHO Cc1ccc([C@H]([NH2+]CC2(N)CCCC2)C2CC2)cc1 ZINC000665248111 419090050 /nfs/dbraw/zinc/09/00/50/419090050.db2.gz PKVLMCAEOLVASZ-INIZCTEOSA-N 1 3 258.409 3.307 20 0 CGADHO CC1(C)[C@@H](NCC2([NH3+])CCCC2)C[C@H]1c1ccccc1 ZINC000665247488 419091080 /nfs/dbraw/zinc/09/10/80/419091080.db2.gz CWTVAAQOQKCUTK-HOTGVXAUSA-N 1 3 272.436 3.430 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CC2 ZINC000655769828 419091952 /nfs/dbraw/zinc/09/19/52/419091952.db2.gz PMCACXMODLLNHY-CJNGLKHVSA-N 1 3 260.425 3.078 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@@H](C)C[NH+](C)C)CC2 ZINC000655769828 419091957 /nfs/dbraw/zinc/09/19/57/419091957.db2.gz PMCACXMODLLNHY-CJNGLKHVSA-N 1 3 260.425 3.078 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665249563 419092050 /nfs/dbraw/zinc/09/20/50/419092050.db2.gz SUFZWCGSMRDXKU-UONOGXRCSA-N 1 3 276.424 3.048 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665249562 419092993 /nfs/dbraw/zinc/09/29/93/419092993.db2.gz SUFZWCGSMRDXKU-KGLIPLIRSA-N 1 3 276.424 3.048 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+]CC12CC(C1)CN2)C1CC1 ZINC000665279597 419100831 /nfs/dbraw/zinc/10/08/31/419100831.db2.gz GRQCHEKKUWXHTE-PTXATLKXSA-N 1 3 290.838 3.003 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000665279336 419101078 /nfs/dbraw/zinc/10/10/78/419101078.db2.gz AODSCQOBTUQWPH-HSWOEZIZSA-N 1 3 278.827 3.174 20 0 CGADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@@H](C)c1ccc(Cl)cc1 ZINC000665279338 419101584 /nfs/dbraw/zinc/10/15/84/419101584.db2.gz AODSCQOBTUQWPH-MAHYQRQESA-N 1 3 278.827 3.174 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+]CC12CC(C1)CN2)C1CC1 ZINC000665279596 419101696 /nfs/dbraw/zinc/10/16/96/419101696.db2.gz GRQCHEKKUWXHTE-PDOTXMHQSA-N 1 3 290.838 3.003 20 0 CGADHO Cc1cc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000665279525 419101983 /nfs/dbraw/zinc/10/19/83/419101983.db2.gz FOPPDIVPWSKPJM-SMDDNHRTSA-N 1 3 254.443 3.389 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000665279628 419101996 /nfs/dbraw/zinc/10/19/96/419101996.db2.gz HUQKGVOHUQXYMK-BXUZGUMPSA-N 1 3 286.366 3.312 20 0 CGADHO C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CCCN1 ZINC000665282733 419103748 /nfs/dbraw/zinc/10/37/48/419103748.db2.gz APCYGKICAWOMEK-TWRYWWQQSA-N 1 3 250.430 3.075 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989735 419056419 /nfs/dbraw/zinc/05/64/19/419056419.db2.gz SDAFMHQWVMZTJC-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659989735 419056422 /nfs/dbraw/zinc/05/64/22/419056422.db2.gz SDAFMHQWVMZTJC-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659989735 419056424 /nfs/dbraw/zinc/05/64/24/419056424.db2.gz SDAFMHQWVMZTJC-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000659989735 419056427 /nfs/dbraw/zinc/05/64/27/419056427.db2.gz SDAFMHQWVMZTJC-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000655685641 419064713 /nfs/dbraw/zinc/06/47/13/419064713.db2.gz JUSDIMMPKOKLCT-BBRMVZONSA-N 1 3 278.465 3.122 20 0 CGADHO Cc1ccc(CN2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000655941655 419129067 /nfs/dbraw/zinc/12/90/67/419129067.db2.gz YKMNUGPUZQGYEN-UHFFFAOYSA-N 1 3 278.827 3.224 20 0 CGADHO Cc1ccc(C2(N[C@@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000656200234 419150174 /nfs/dbraw/zinc/15/01/74/419150174.db2.gz JCNLETGRIVGWQR-HZPDHXFCSA-N 1 3 258.409 3.234 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082900 419188263 /nfs/dbraw/zinc/18/82/63/419188263.db2.gz QWILRLCLAGBUKU-UKRRQHHQSA-N 1 3 292.854 3.129 20 0 CGADHO COc1ccc(C(C)C)cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000655936328 419127714 /nfs/dbraw/zinc/12/77/14/419127714.db2.gz DIOKEDRMSBPFJE-CQSZACIVSA-N 1 3 290.451 3.378 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC1(F)F ZINC000666227919 419200650 /nfs/dbraw/zinc/20/06/50/419200650.db2.gz LFPPCZDCUFIRPN-DOMZBBRYSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CC1(F)F ZINC000666227919 419200653 /nfs/dbraw/zinc/20/06/53/419200653.db2.gz LFPPCZDCUFIRPN-DOMZBBRYSA-N 1 3 286.410 3.417 20 0 CGADHO Fc1cc(F)cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785539 419219955 /nfs/dbraw/zinc/21/99/55/419219955.db2.gz LQNVMWDPNYDSEM-OAHLLOKOSA-N 1 3 294.389 3.176 20 0 CGADHO [NH3+]C1(CN[C@@H]2CCC[C@H]2c2ccccc2)CCCC1 ZINC000656789619 419221240 /nfs/dbraw/zinc/22/12/40/419221240.db2.gz SVMYXEAHVBGRIT-JKSUJKDBSA-N 1 3 258.409 3.184 20 0 CGADHO NC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CCCC1 ZINC000656788785 419221475 /nfs/dbraw/zinc/22/14/75/419221475.db2.gz ZESXCALBTHUHGI-UHFFFAOYSA-N 1 3 289.810 3.249 20 0 CGADHO CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC000657483528 419289688 /nfs/dbraw/zinc/28/96/88/419289688.db2.gz RUJFOTKDDDBIDK-ALOPSCKCSA-N 1 3 288.435 3.109 20 0 CGADHO C[N@H+](CCCCNCc1ccc(F)c(F)c1F)C1CC1 ZINC000657488019 419292242 /nfs/dbraw/zinc/29/22/42/419292242.db2.gz NIWPHIVVXOXSRO-UHFFFAOYSA-N 1 3 286.341 3.068 20 0 CGADHO C[N@@H+](CCCCNCc1ccc(F)c(F)c1F)C1CC1 ZINC000657488019 419292244 /nfs/dbraw/zinc/29/22/44/419292244.db2.gz NIWPHIVVXOXSRO-UHFFFAOYSA-N 1 3 286.341 3.068 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC([C@@H]2CCCCO2)CC1 ZINC000661870025 419310036 /nfs/dbraw/zinc/31/00/36/419310036.db2.gz BCAOIFNRIZWRQV-MSOLQXFVSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CCC([C@@H]2CCCCO2)CC1 ZINC000661870025 419310038 /nfs/dbraw/zinc/31/00/38/419310038.db2.gz BCAOIFNRIZWRQV-MSOLQXFVSA-N 1 3 294.483 3.142 20 0 CGADHO c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661969470 419316914 /nfs/dbraw/zinc/31/69/14/419316914.db2.gz JNFDWJCIEWDLOS-XNFNUYLZSA-N 1 3 296.458 3.370 20 0 CGADHO c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661969470 419316915 /nfs/dbraw/zinc/31/69/15/419316915.db2.gz JNFDWJCIEWDLOS-XNFNUYLZSA-N 1 3 296.458 3.370 20 0 CGADHO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CCNC2 ZINC000662318559 419390260 /nfs/dbraw/zinc/39/02/60/419390260.db2.gz BOWYHTRGEUDILJ-FUCXHRTASA-N 1 3 270.420 3.095 20 0 CGADHO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCNC2 ZINC000662318559 419390265 /nfs/dbraw/zinc/39/02/65/419390265.db2.gz BOWYHTRGEUDILJ-FUCXHRTASA-N 1 3 270.420 3.095 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cc3cnccc3o2)CC1 ZINC000657870636 419396736 /nfs/dbraw/zinc/39/67/36/419396736.db2.gz GHGKELKNSSTGSI-CYBMUJFWSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264365 419374785 /nfs/dbraw/zinc/37/47/85/419374785.db2.gz JGRFYSUQAQETKP-UIBIWLFHSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264365 419374790 /nfs/dbraw/zinc/37/47/90/419374790.db2.gz JGRFYSUQAQETKP-UIBIWLFHSA-N 1 3 272.436 3.239 20 0 CGADHO c1cncc([C@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662277972 419381937 /nfs/dbraw/zinc/38/19/37/419381937.db2.gz VPJQWSNEUSLGIF-LJQANCHMSA-N 1 3 293.414 3.064 20 0 CGADHO CC(C)c1cccc(CNC[C@H]2CCC[N@H+](C)C2)c1 ZINC000663317193 419552567 /nfs/dbraw/zinc/55/25/67/419552567.db2.gz LGWGRMKYIZLNJW-MRXNPFEDSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)c1cccc(CNC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000663317193 419552575 /nfs/dbraw/zinc/55/25/75/419552575.db2.gz LGWGRMKYIZLNJW-MRXNPFEDSA-N 1 3 260.425 3.241 20 0 CGADHO C([NH2+]C1CCCCCC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663347515 419567097 /nfs/dbraw/zinc/56/70/97/419567097.db2.gz MVQNKPLZHIIONH-MRXNPFEDSA-N 1 3 264.457 3.421 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000663502680 419635890 /nfs/dbraw/zinc/63/58/90/419635890.db2.gz JUOFHJBZAGEULQ-ZACQAIPSSA-N 1 3 278.415 3.425 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000663502680 419635896 /nfs/dbraw/zinc/63/58/96/419635896.db2.gz JUOFHJBZAGEULQ-ZACQAIPSSA-N 1 3 278.415 3.425 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663466866 419622310 /nfs/dbraw/zinc/62/23/10/419622310.db2.gz ASRQJQCQKNIOLJ-RHSMWYFYSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466866 419622318 /nfs/dbraw/zinc/62/23/18/419622318.db2.gz ASRQJQCQKNIOLJ-RHSMWYFYSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466866 419622323 /nfs/dbraw/zinc/62/23/23/419622323.db2.gz ASRQJQCQKNIOLJ-RHSMWYFYSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000663504081 419641513 /nfs/dbraw/zinc/64/15/13/419641513.db2.gz VUAPKMBJTLWNOL-RCCFBDPRSA-N 1 3 274.452 3.361 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(CC(C)C)CC2)s1 ZINC000075760950 264328023 /nfs/dbraw/zinc/32/80/23/264328023.db2.gz HCFZZEVJAXMUFW-UHFFFAOYSA-N 1 3 266.454 3.267 20 0 CGADHO C[NH+](C)CC(C)(C)CN[C@@H](c1ccccc1)C1CC1 ZINC000041075187 270030210 /nfs/dbraw/zinc/03/02/10/270030210.db2.gz IQIGKSMDDVEGCV-INIZCTEOSA-N 1 3 260.425 3.315 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000044534740 270036206 /nfs/dbraw/zinc/03/62/06/270036206.db2.gz RPTCTXBJJKLELU-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000044534740 270036207 /nfs/dbraw/zinc/03/62/07/270036207.db2.gz RPTCTXBJJKLELU-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000044534292 270036914 /nfs/dbraw/zinc/03/69/14/270036914.db2.gz QUHAYZKDGFIYND-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000044534292 270036915 /nfs/dbraw/zinc/03/69/15/270036915.db2.gz QUHAYZKDGFIYND-STQMWFEESA-N 1 3 252.427 3.131 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCC[N@H+](C)C1 ZINC000044535579 270036922 /nfs/dbraw/zinc/03/69/22/270036922.db2.gz DSHKQURYYKKANV-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCC[N@@H+](C)C1 ZINC000044535579 270036923 /nfs/dbraw/zinc/03/69/23/270036923.db2.gz DSHKQURYYKKANV-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000186254067 270065526 /nfs/dbraw/zinc/06/55/26/270065526.db2.gz ZYPHJHAULBLNAN-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO CC1=CCC[C@@H](C)[C@@H]1CN1CCC([NH2+]C(C)C)CC1 ZINC000191301230 270074693 /nfs/dbraw/zinc/07/46/93/270074693.db2.gz GJGKCNYOUGUYDI-NVXWUHKLSA-N 1 3 264.457 3.441 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000322480437 270093495 /nfs/dbraw/zinc/09/34/95/270093495.db2.gz SYAHMOONWMINSK-PMPSAXMXSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC12CC2 ZINC000527866149 270140524 /nfs/dbraw/zinc/14/05/24/270140524.db2.gz OFWXORHHHDZQTK-CJNGLKHVSA-N 1 3 262.441 3.172 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527868226 270140867 /nfs/dbraw/zinc/14/08/67/270140867.db2.gz CPCZMLDFPUAXKK-XHSDSOJGSA-N 1 3 264.457 3.133 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000527845131 270139270 /nfs/dbraw/zinc/13/92/70/270139270.db2.gz BXDYLXGDPJKNIU-ZBEGNZNMSA-N 1 3 296.817 3.398 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530215532 270195742 /nfs/dbraw/zinc/19/57/42/270195742.db2.gz HBYKBFRXSSQRHA-QLFBSQMISA-N 1 3 250.430 3.075 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1CC=CCC1 ZINC000530224711 270196603 /nfs/dbraw/zinc/19/66/03/270196603.db2.gz WWFASMZLSJGLNI-DZGCQCFKSA-N 1 3 273.424 3.246 20 0 CGADHO CC(C)[C@@H](C[NH2+][C@@H]1CCNC12CCC2)c1ccccc1 ZINC000530245391 270197242 /nfs/dbraw/zinc/19/72/42/270197242.db2.gz XGSRCQHWHOPBJC-IAGOWNOFSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422966611 274238312 /nfs/dbraw/zinc/23/83/12/274238312.db2.gz NWBMFSNRMXORJB-HUYLIWGRSA-N 1 3 294.442 3.481 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000271919913 274312906 /nfs/dbraw/zinc/31/29/06/274312906.db2.gz ZVWRXXARUASTHV-RDTXWAMCSA-N 1 3 270.420 3.477 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCCCCC1 ZINC000094722683 275396280 /nfs/dbraw/zinc/39/62/80/275396280.db2.gz FJGVZPGETFZJDH-JKSUJKDBSA-N 1 3 250.430 3.173 20 0 CGADHO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCN1CCCC1 ZINC000187102960 275909906 /nfs/dbraw/zinc/90/99/06/275909906.db2.gz DJZIKYNPRLWNNE-CVEARBPZSA-N 1 3 250.430 3.054 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757923 276106325 /nfs/dbraw/zinc/10/63/25/276106325.db2.gz PAWDRWJKMMMPTF-CVEARBPZSA-N 1 3 250.430 3.006 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757923 276106326 /nfs/dbraw/zinc/10/63/26/276106326.db2.gz PAWDRWJKMMMPTF-CVEARBPZSA-N 1 3 250.430 3.006 20 0 CGADHO CC1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000019912899 276191046 /nfs/dbraw/zinc/19/10/46/276191046.db2.gz NSZPBQBLWOYGNO-PCKAHOCUSA-N 1 3 252.446 3.419 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000483500236 276205952 /nfs/dbraw/zinc/20/59/52/276205952.db2.gz GVUFJHJPISTSNX-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000483500236 276205953 /nfs/dbraw/zinc/20/59/53/276205953.db2.gz GVUFJHJPISTSNX-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906343 276221691 /nfs/dbraw/zinc/22/16/91/276221691.db2.gz IYGNNWSWQOEUID-OCCSQVGLSA-N 1 3 293.842 3.044 20 0 CGADHO CCOC(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000188693842 276306409 /nfs/dbraw/zinc/30/64/09/276306409.db2.gz VGHPNCOYEIPNQY-NVXWUHKLSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000188693842 276306411 /nfs/dbraw/zinc/30/64/11/276306411.db2.gz VGHPNCOYEIPNQY-NVXWUHKLSA-N 1 3 296.499 3.434 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1COC(C)(C)C1 ZINC000417952736 276331513 /nfs/dbraw/zinc/33/15/13/276331513.db2.gz CTKCIDPOGMGLRD-XHSDSOJGSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000417952736 276331515 /nfs/dbraw/zinc/33/15/15/276331515.db2.gz CTKCIDPOGMGLRD-XHSDSOJGSA-N 1 3 282.472 3.044 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1 ZINC000337394786 276771785 /nfs/dbraw/zinc/77/17/85/276771785.db2.gz OWSMYKFQPIXYTD-KURKYZTESA-N 1 3 272.436 3.417 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275496432 277023559 /nfs/dbraw/zinc/02/35/59/277023559.db2.gz LRDMMPYRYSOHEW-MSOLQXFVSA-N 1 3 270.420 3.174 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266783 277068404 /nfs/dbraw/zinc/06/84/04/277068404.db2.gz GCJVZGMOELFZBD-IAGOWNOFSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@H]21 ZINC000483266783 277068405 /nfs/dbraw/zinc/06/84/05/277068405.db2.gz GCJVZGMOELFZBD-IAGOWNOFSA-N 1 3 264.457 3.373 20 0 CGADHO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000311163064 277132229 /nfs/dbraw/zinc/13/22/29/277132229.db2.gz MWLIJHKXHMSDQD-ZIAGYGMSSA-N 1 3 252.446 3.275 20 0 CGADHO COC1(CNC2CC[NH+](CC(C)C)CC2)CCCCC1 ZINC000480341589 277187208 /nfs/dbraw/zinc/18/72/08/277187208.db2.gz JRPNGJRNMJVDOA-UHFFFAOYSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000246470801 277397074 /nfs/dbraw/zinc/39/70/74/277397074.db2.gz QLBIHZHYBVGSIX-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC12CCC2)CN1CCCC1 ZINC000394756457 288003573 /nfs/dbraw/zinc/00/35/73/288003573.db2.gz BCLHOKRIOWNMCJ-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)CCC(C[NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000414905360 278197169 /nfs/dbraw/zinc/19/71/69/278197169.db2.gz OODSTTZLIYJFRO-INIZCTEOSA-N 1 3 252.446 3.182 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008379 278229251 /nfs/dbraw/zinc/22/92/51/278229251.db2.gz MXVKRYOIXUYQEZ-HOCLYGCPSA-N 1 3 288.435 3.363 20 0 CGADHO C[C@@H](CN1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000414653805 278266158 /nfs/dbraw/zinc/26/61/58/278266158.db2.gz IJAVNKCMUFJXPD-NWDGAFQWSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653805 278266160 /nfs/dbraw/zinc/26/61/60/278266160.db2.gz IJAVNKCMUFJXPD-NWDGAFQWSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN)C1)c1ccc(C(F)(F)F)cc1 ZINC000414653805 278266162 /nfs/dbraw/zinc/26/61/62/278266162.db2.gz IJAVNKCMUFJXPD-NWDGAFQWSA-N 1 3 286.341 3.090 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)CN1CCCCC1 ZINC000397685934 288027324 /nfs/dbraw/zinc/02/73/24/288027324.db2.gz KANHGICEGHCCHZ-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000449438781 278336359 /nfs/dbraw/zinc/33/63/59/278336359.db2.gz DYDAXLFWEGVKJR-CKEIUWERSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CCC(F)(F)CC1 ZINC000423326567 278356130 /nfs/dbraw/zinc/35/61/30/278356130.db2.gz CMCPOILZTOWDNI-TZMCWYRMSA-N 1 3 274.399 3.180 20 0 CGADHO C[C@@H]1CC([NH2+]C2CCN(c3ccncc3)CC2)C[C@@H](C)C1 ZINC000084974188 278447356 /nfs/dbraw/zinc/44/73/56/278447356.db2.gz XVBPZJKQLFITQS-GJZGRUSLSA-N 1 3 287.451 3.465 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@H]3CCNCC[C@@H]3C)cn(C)c2c1 ZINC000423055120 288063049 /nfs/dbraw/zinc/06/30/49/288063049.db2.gz CRSRLNMPAIUIDV-YJBOKZPZSA-N 1 3 299.462 3.007 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@H]3CCNCC[C@H]3C)cn(C)c2c1 ZINC000423055119 288063057 /nfs/dbraw/zinc/06/30/57/288063057.db2.gz CRSRLNMPAIUIDV-QAPCUYQASA-N 1 3 299.462 3.007 20 0 CGADHO CC(C)C[C@@H]([NH2+]C1CCNCC1)c1cccs1 ZINC000422940761 279001317 /nfs/dbraw/zinc/00/13/17/279001317.db2.gz IYCFUHOWIXUQMG-CYBMUJFWSA-N 1 3 252.427 3.177 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000135610176 279099703 /nfs/dbraw/zinc/09/97/03/279099703.db2.gz ZRSPQWFVXHHCGB-SJORKVTESA-N 1 3 260.425 3.112 20 0 CGADHO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CCC2 ZINC000246986842 279120158 /nfs/dbraw/zinc/12/01/58/279120158.db2.gz JFIRFARKVNFTQW-GZBFAFLISA-N 1 3 293.480 3.291 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H]1COC(C)(C)C1 ZINC000417952734 279123541 /nfs/dbraw/zinc/12/35/41/279123541.db2.gz CTKCIDPOGMGLRD-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000417952734 279123544 /nfs/dbraw/zinc/12/35/44/279123544.db2.gz CTKCIDPOGMGLRD-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000423401212 279508349 /nfs/dbraw/zinc/50/83/49/279508349.db2.gz VWQANVRWPOSNCG-WCFLWFBJSA-N 1 3 264.438 3.157 20 0 CGADHO C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000422956153 279553242 /nfs/dbraw/zinc/55/32/42/279553242.db2.gz KULFSUKTRCCMLA-FHIRATQRSA-N 1 3 258.409 3.213 20 0 CGADHO C[N@@H+](Cc1ccccc1)CC1CCN(CC2(F)CC2)CC1 ZINC000527510423 288174273 /nfs/dbraw/zinc/17/42/73/288174273.db2.gz PDHSAWOANKPPSY-UHFFFAOYSA-N 1 3 290.426 3.333 20 0 CGADHO C[N@H+](Cc1ccccc1)CC1CCN(CC2(F)CC2)CC1 ZINC000527510423 288174276 /nfs/dbraw/zinc/17/42/76/288174276.db2.gz PDHSAWOANKPPSY-UHFFFAOYSA-N 1 3 290.426 3.333 20 0 CGADHO C[C@H]1[C@H](C[NH2+][C@H]2CCNCC[C@H]2C)CCC[C@@H]1C ZINC000423096728 280112867 /nfs/dbraw/zinc/11/28/67/280112867.db2.gz PRJFZRADYMRADT-OTJKEOIZSA-N 1 3 252.446 3.036 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000423467761 280166385 /nfs/dbraw/zinc/16/63/85/280166385.db2.gz OBYKFPNDTXMZIF-DZGCQCFKSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000437108077 280229821 /nfs/dbraw/zinc/22/98/21/280229821.db2.gz MCKMMBZYEQVBNU-XQQFMLRXSA-N 1 3 278.362 3.180 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000437108077 280229822 /nfs/dbraw/zinc/22/98/22/280229822.db2.gz MCKMMBZYEQVBNU-XQQFMLRXSA-N 1 3 278.362 3.180 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000226840081 280406189 /nfs/dbraw/zinc/40/61/89/280406189.db2.gz DBAUQCGJKJOPND-FPCVCCKLSA-N 1 3 252.446 3.036 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261574933 281016430 /nfs/dbraw/zinc/01/64/30/281016430.db2.gz BJKGWFDRPQETNG-ARLBYUKCSA-N 1 3 278.827 3.460 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@H](C)C[NH3+] ZINC000423308930 281027421 /nfs/dbraw/zinc/02/74/21/281027421.db2.gz PHYWFEUBGTZPEA-BLLLJJGKSA-N 1 3 271.408 3.038 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423275728 281122816 /nfs/dbraw/zinc/12/28/16/281122816.db2.gz NOIFXAJJIBCZHD-DJIMGWMZSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)CC2 ZINC000423275728 281122826 /nfs/dbraw/zinc/12/28/26/281122826.db2.gz NOIFXAJJIBCZHD-DJIMGWMZSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423263571 281271541 /nfs/dbraw/zinc/27/15/41/281271541.db2.gz BBWZKFOAZKZHIS-XKQJLSEDSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423263571 281271544 /nfs/dbraw/zinc/27/15/44/281271544.db2.gz BBWZKFOAZKZHIS-XKQJLSEDSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152387420 281273094 /nfs/dbraw/zinc/27/30/94/281273094.db2.gz ZCGSSSKDVZQKAC-KBXCAEBGSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152387420 281273097 /nfs/dbraw/zinc/27/30/97/281273097.db2.gz ZCGSSSKDVZQKAC-KBXCAEBGSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000550575013 289078534 /nfs/dbraw/zinc/07/85/34/289078534.db2.gz YXHVMFRESNFNLY-GOSISDBHSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000550575013 289078537 /nfs/dbraw/zinc/07/85/37/289078537.db2.gz YXHVMFRESNFNLY-GOSISDBHSA-N 1 3 286.463 3.467 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000337989302 289309916 /nfs/dbraw/zinc/30/99/16/289309916.db2.gz PWAWZZVFVGBJBH-QXSJWSMHSA-N 1 3 270.436 3.367 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)CN1CCCC1 ZINC000300128688 289691067 /nfs/dbraw/zinc/69/10/67/289691067.db2.gz BWWWSSYJFVZFIV-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCC(F)(F)CC1 ZINC000423372813 290008910 /nfs/dbraw/zinc/00/89/10/290008910.db2.gz HFFKKZCIZFLOFX-CYZMBNFOSA-N 1 3 260.372 3.060 20 0 CGADHO C[C@H]1CC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)C1 ZINC000358036240 290353531 /nfs/dbraw/zinc/35/35/31/290353531.db2.gz KXUNIBYQJHATGF-VQHPVUNQSA-N 1 3 296.499 3.290 20 0 CGADHO COc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C(C)C ZINC000423370890 295366224 /nfs/dbraw/zinc/36/62/24/295366224.db2.gz FYSXPGUYOIIUCB-ULQDDVLXSA-N 1 3 290.451 3.122 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000423389157 301807479 /nfs/dbraw/zinc/80/74/79/301807479.db2.gz OAJVXDYPKNUXRQ-ZACQAIPSSA-N 1 3 258.409 3.306 20 0 CGADHO FC(F)(F)c1cccc([C@@H]([NH2+][C@H]2CCCNC2)C2CC2)c1 ZINC000423185419 303118724 /nfs/dbraw/zinc/11/87/24/303118724.db2.gz JHWWXVISHRDFKA-GJZGRUSLSA-N 1 3 298.352 3.498 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCc2sc(Cl)cc21 ZINC000423137017 303408938 /nfs/dbraw/zinc/40/89/38/303408938.db2.gz VUKPIXQDQWHAQY-MVWJERBFSA-N 1 3 284.856 3.496 20 0 CGADHO CC(C)[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CC1 ZINC000162594301 321885496 /nfs/dbraw/zinc/88/54/96/321885496.db2.gz YWZVIALBYPUMFT-SFHVURJKSA-N 1 3 290.451 3.151 20 0 CGADHO CCc1cccc(F)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000564973757 322052288 /nfs/dbraw/zinc/05/22/88/322052288.db2.gz RQVFUTSGRMJYHR-INIZCTEOSA-N 1 3 290.426 3.210 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000565226880 322068080 /nfs/dbraw/zinc/06/80/80/322068080.db2.gz OTOCKRGWWHEVTI-HUUCEWRRSA-N 1 3 296.842 3.277 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226880 322068084 /nfs/dbraw/zinc/06/80/84/322068084.db2.gz OTOCKRGWWHEVTI-HUUCEWRRSA-N 1 3 296.842 3.277 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000565226897 322068300 /nfs/dbraw/zinc/06/83/00/322068300.db2.gz OTOCKRGWWHEVTI-LSDHHAIUSA-N 1 3 296.842 3.277 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226897 322068303 /nfs/dbraw/zinc/06/83/03/322068303.db2.gz OTOCKRGWWHEVTI-LSDHHAIUSA-N 1 3 296.842 3.277 20 0 CGADHO C[C@@H](CCc1ccco1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000565396998 322076174 /nfs/dbraw/zinc/07/61/74/322076174.db2.gz ZBNVTTOJGUATRI-HNNXBMFYSA-N 1 3 278.440 3.312 20 0 CGADHO C[C@@H](CCc1ccco1)NCC(C)(C)C[NH+]1CCCC1 ZINC000565396998 322076176 /nfs/dbraw/zinc/07/61/76/322076176.db2.gz ZBNVTTOJGUATRI-HNNXBMFYSA-N 1 3 278.440 3.312 20 0 CGADHO C[C@@H](c1cccc(O)c1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657666 322085716 /nfs/dbraw/zinc/08/57/16/322085716.db2.gz TYJGXOIXFYHXTH-AWEZNQCLSA-N 1 3 296.414 3.231 20 0 CGADHO CCc1nc2ccccc2c(NCC2CC[NH+](C)CC2)c1C ZINC000567072612 322149576 /nfs/dbraw/zinc/14/95/76/322149576.db2.gz KXWAAFOHIJBRPT-UHFFFAOYSA-N 1 3 297.446 3.281 20 0 CGADHO CCCC[C@H](CC)C[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000568659552 322217782 /nfs/dbraw/zinc/21/77/82/322217782.db2.gz CXBAKBIFPUVYKH-INIZCTEOSA-N 1 3 284.488 3.028 20 0 CGADHO COc1ccc([C@@H](NCc2ccc(C[NH3+])cc2)C2CC2)cc1 ZINC000571208990 322292934 /nfs/dbraw/zinc/29/29/34/322292934.db2.gz GLIMIXJVVYUARX-IBGZPJMESA-N 1 3 296.414 3.395 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000571902884 322311754 /nfs/dbraw/zinc/31/17/54/322311754.db2.gz SFZJMARKXAIJQM-HZPDHXFCSA-N 1 3 250.430 3.195 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H]3CCC[C@H](N)C3)CC2)c(C)c1 ZINC000573505779 322391634 /nfs/dbraw/zinc/39/16/34/322391634.db2.gz MCPPMJGZEOEFMD-HOTGVXAUSA-N 1 3 272.436 3.195 20 0 CGADHO Cc1ccc(C2(CN[C@H]3CCC[C@H]([NH3+])C3)CC2)c(C)c1 ZINC000573505779 322391637 /nfs/dbraw/zinc/39/16/37/322391637.db2.gz MCPPMJGZEOEFMD-HOTGVXAUSA-N 1 3 272.436 3.195 20 0 CGADHO CCc1nc(C)c([C@@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000582606235 329115164 /nfs/dbraw/zinc/11/51/64/329115164.db2.gz GJACQOPHVFEVCC-LLVKDONJSA-N 1 3 289.448 3.323 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000576099279 335153198 /nfs/dbraw/zinc/15/31/98/335153198.db2.gz XVIISSBBGQWJLK-BMGDILEWSA-N 1 3 290.451 3.165 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000576099279 335153199 /nfs/dbraw/zinc/15/31/99/335153199.db2.gz XVIISSBBGQWJLK-BMGDILEWSA-N 1 3 290.451 3.165 20 0 CGADHO CCC[C@@H](C)[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000576470820 335208686 /nfs/dbraw/zinc/20/86/86/335208686.db2.gz RZICOVXAQRVFEW-QAPCUYQASA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@@H](C)[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000576470820 335208688 /nfs/dbraw/zinc/20/86/88/335208688.db2.gz RZICOVXAQRVFEW-QAPCUYQASA-N 1 3 296.499 3.170 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000577077691 335296426 /nfs/dbraw/zinc/29/64/26/335296426.db2.gz SBWTYJPSCZSZCJ-VYDXJSESSA-N 1 3 258.409 3.232 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCCC12CC2 ZINC000577125720 335305354 /nfs/dbraw/zinc/30/53/54/335305354.db2.gz WKHJINPGIHVPOI-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000578248044 335592302 /nfs/dbraw/zinc/59/23/02/335592302.db2.gz SAOGYLQMPFVLPB-HZSPNIEDSA-N 1 3 286.341 3.192 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC000579613497 335822846 /nfs/dbraw/zinc/82/28/46/335822846.db2.gz RNJXMJYLUTVFGL-IKGGRYGDSA-N 1 3 258.409 3.040 20 0 CGADHO C(CNC1CC1)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000382602932 336095167 /nfs/dbraw/zinc/09/51/67/336095167.db2.gz SUYKNVMPAJDBMU-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO Cc1cccc([C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581607943 336111530 /nfs/dbraw/zinc/11/15/30/336111530.db2.gz CXBLEMIKNZSTOT-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCNC3)c1 ZINC000581607943 336111531 /nfs/dbraw/zinc/11/15/31/336111531.db2.gz CXBLEMIKNZSTOT-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCCNC3)c1 ZINC000581607943 336111532 /nfs/dbraw/zinc/11/15/32/336111532.db2.gz CXBLEMIKNZSTOT-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000581895279 336162494 /nfs/dbraw/zinc/16/24/94/336162494.db2.gz YXNWKAAULAGMJX-FVCCEPFGSA-N 1 3 278.362 3.215 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1Cl ZINC000424366728 533719061 /nfs/dbraw/zinc/71/90/61/533719061.db2.gz JIUGCIOPHINCCP-ZIAGYGMSSA-N 1 3 252.789 3.008 20 0 CGADHO CS[C@@H]1CC[C@H]1[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000425359753 533998569 /nfs/dbraw/zinc/99/85/69/533998569.db2.gz SGDAQDXKRWVLAN-HZPDHXFCSA-N 1 3 282.497 3.125 20 0 CGADHO CS[C@@H]1CC[C@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000425359753 533998574 /nfs/dbraw/zinc/99/85/74/533998574.db2.gz SGDAQDXKRWVLAN-HZPDHXFCSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1)CN1CCCC1 ZINC000449090693 534059120 /nfs/dbraw/zinc/05/91/20/534059120.db2.gz OGLXDIWGZRGDJS-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H](CNC[C@@H](C)c1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000449090693 534059127 /nfs/dbraw/zinc/05/91/27/534059127.db2.gz OGLXDIWGZRGDJS-UONOGXRCSA-N 1 3 296.405 3.390 20 0 CGADHO Cc1ccc2cc([C@@H](C)[NH2+][C@@H](CN)C3CC3)oc2c1 ZINC000423273818 534474018 /nfs/dbraw/zinc/47/40/18/534474018.db2.gz JNHBAFHNUIQNLW-RISCZKNCSA-N 1 3 258.365 3.129 20 0 CGADHO Cc1ccsc1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000037786342 534473705 /nfs/dbraw/zinc/47/37/05/534473705.db2.gz HXTRYBYYOIZBJA-UHFFFAOYSA-N 1 3 266.454 3.409 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(COC)cc2)CC1 ZINC000088567756 520578532 /nfs/dbraw/zinc/57/85/32/520578532.db2.gz MXTMIRBZILZGBF-UHFFFAOYSA-N 1 3 290.451 3.187 20 0 CGADHO [NH3+]CCCCNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000423327499 534605949 /nfs/dbraw/zinc/60/59/49/534605949.db2.gz NGILYXPOXORMOU-UHFFFAOYSA-N 1 3 290.357 3.383 20 0 CGADHO CC[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712517 522949229 /nfs/dbraw/zinc/94/92/29/522949229.db2.gz GGLIUTLUCSLARH-UKPHBRMFSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712517 522949235 /nfs/dbraw/zinc/94/92/35/522949235.db2.gz GGLIUTLUCSLARH-UKPHBRMFSA-N 1 3 276.424 3.219 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C2CC2)c1 ZINC000423390480 534726803 /nfs/dbraw/zinc/72/68/03/534726803.db2.gz OUROXZQNJUYYDB-SQNIBIBYSA-N 1 3 272.436 3.176 20 0 CGADHO Cc1ccc(C[N@H+](C)CCCN2CCCC2)c(C)c1 ZINC000340657090 524391675 /nfs/dbraw/zinc/39/16/75/524391675.db2.gz GTMYAXSKMRLXBN-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO Cc1ccc(C[N@@H+](C)CCCN2CCCC2)c(C)c1 ZINC000340657090 524391683 /nfs/dbraw/zinc/39/16/83/524391683.db2.gz GTMYAXSKMRLXBN-UHFFFAOYSA-N 1 3 260.425 3.221 20 0 CGADHO CC(C)(CNC1CC[NH+](C(C)(C)C)CC1)OCC1CC1 ZINC000414275570 527170165 /nfs/dbraw/zinc/17/01/65/527170165.db2.gz UGWLUYKCCOYDQV-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423287302 527259013 /nfs/dbraw/zinc/25/90/13/527259013.db2.gz LIRKAEUHSLOOQU-JSGCOSHPSA-N 1 3 266.816 3.303 20 0 CGADHO CC(C)(N)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423289115 527260238 /nfs/dbraw/zinc/26/02/38/527260238.db2.gz WGWKMCAJCZHSNV-QGZVFWFLSA-N 1 3 286.394 3.436 20 0 CGADHO CC(C)(C)C[C@H]([NH2+]C[C@@H]1CNCCCO1)c1ccccc1 ZINC000423496760 527702032 /nfs/dbraw/zinc/70/20/32/527702032.db2.gz XNUXLHOSTYIAHD-IRXDYDNUSA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000423264559 527850487 /nfs/dbraw/zinc/85/04/87/527850487.db2.gz ABDVEYXZTRRJQJ-PMPSAXMXSA-N 1 3 252.446 3.308 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000423372573 527876579 /nfs/dbraw/zinc/87/65/79/527876579.db2.gz RDIOTBYMXPQFKX-ABFRBSLYSA-N 1 3 288.435 3.092 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000365196616 528112387 /nfs/dbraw/zinc/11/23/87/528112387.db2.gz BAKWRWZDSAUWMA-MSOLQXFVSA-N 1 3 290.451 3.086 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424375189 528204497 /nfs/dbraw/zinc/20/44/97/528204497.db2.gz MORNYFMHRCFDHX-KBRIMQKVSA-N 1 3 276.424 3.394 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423262986 528533937 /nfs/dbraw/zinc/53/39/37/528533937.db2.gz ADGKJWXCBCPUSK-YPMHNXCESA-N 1 3 266.454 3.261 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H](N)C(C)C)c1cccs1 ZINC000423282756 528571488 /nfs/dbraw/zinc/57/14/88/528571488.db2.gz WFBAQAQZSWMSGC-STQMWFEESA-N 1 3 254.443 3.408 20 0 CGADHO CC(C)[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423351336 528588660 /nfs/dbraw/zinc/58/86/60/528588660.db2.gz YVAKTXVBYYWJQG-SJORKVTESA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000423351336 528588670 /nfs/dbraw/zinc/58/86/70/528588670.db2.gz YVAKTXVBYYWJQG-SJORKVTESA-N 1 3 260.425 3.363 20 0 CGADHO CCCc1csc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000424369402 528660580 /nfs/dbraw/zinc/66/05/80/528660580.db2.gz BKSBBIORXXCIEC-ZDUSSCGKSA-N 1 3 293.480 3.060 20 0 CGADHO CC(C)n1nccc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415046074 528678324 /nfs/dbraw/zinc/67/83/24/528678324.db2.gz CJZMDTJTMLVVTP-QGZVFWFLSA-N 1 3 286.423 3.034 20 0 CGADHO CCCCOc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423315255 528689091 /nfs/dbraw/zinc/68/90/91/528689091.db2.gz ZJDMCSXJJQYQHT-UONOGXRCSA-N 1 3 264.413 3.111 20 0 CGADHO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423303155 528823825 /nfs/dbraw/zinc/82/38/25/528823825.db2.gz WPJVLSMADAHUQR-ZBFHGGJFSA-N 1 3 286.423 3.040 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)Cc1coc2ccccc12 ZINC000423291871 528952420 /nfs/dbraw/zinc/95/24/20/528952420.db2.gz KHIJGXPEBGBILX-CYBMUJFWSA-N 1 3 274.408 3.471 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423282898 528953284 /nfs/dbraw/zinc/95/32/84/528953284.db2.gz DIOCGHXOYNDDHI-UONOGXRCSA-N 1 3 278.440 3.294 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCNC1CC1 ZINC000423527404 529031034 /nfs/dbraw/zinc/03/10/34/529031034.db2.gz MJEJDECGEMFCNF-KRWDZBQOSA-N 1 3 278.415 3.125 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423264328 529068784 /nfs/dbraw/zinc/06/87/84/529068784.db2.gz PXMVGEYCYRAHLS-SUMWQHHRSA-N 1 3 256.393 3.474 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423269014 529070094 /nfs/dbraw/zinc/07/00/94/529070094.db2.gz GTTOQXZMFKRPHB-ZIAGYGMSSA-N 1 3 297.240 3.009 20 0 CGADHO CC(C)[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000423351333 529122948 /nfs/dbraw/zinc/12/29/48/529122948.db2.gz YVAKTXVBYYWJQG-DLBZAZTESA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000423351333 529122951 /nfs/dbraw/zinc/12/29/51/529122951.db2.gz YVAKTXVBYYWJQG-DLBZAZTESA-N 1 3 260.425 3.363 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000513237267 536390615 /nfs/dbraw/zinc/39/06/15/536390615.db2.gz XBYWZHSMHLOIAJ-OKZBNKHCSA-N 1 3 272.436 3.397 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1CCSc1ccc(F)cc1 ZINC000070150168 572351631 /nfs/dbraw/zinc/35/16/31/572351631.db2.gz OHSTVPINNGKYAP-AWEZNQCLSA-N 1 3 282.428 3.121 20 0 CGADHO CCCC[N@H+](C)CC1CCN(C/C=C\Cl)CC1 ZINC000255058276 617889157 /nfs/dbraw/zinc/88/91/57/617889157.db2.gz NZZZMHFKILMQQO-YVMONPNESA-N 1 3 258.837 3.183 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(C/C=C\Cl)CC1 ZINC000255058276 617889160 /nfs/dbraw/zinc/88/91/60/617889160.db2.gz NZZZMHFKILMQQO-YVMONPNESA-N 1 3 258.837 3.183 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)N1CCCCC1 ZINC000926146359 618177762 /nfs/dbraw/zinc/17/77/62/618177762.db2.gz UTYBMFGTLWOFGD-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000924572552 618855510 /nfs/dbraw/zinc/85/55/10/618855510.db2.gz RSSXJBKOCICXNO-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925522765 619017074 /nfs/dbraw/zinc/01/70/74/619017074.db2.gz UFJKOLHKHXAZHQ-NWANDNLSSA-N 1 3 276.424 3.252 20 0 CGADHO C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)COC1CCCC1 ZINC000925533220 619029753 /nfs/dbraw/zinc/02/97/53/619029753.db2.gz YZLLCJFYJOAEGM-ZWKOTPCHSA-N 1 3 294.483 3.094 20 0 CGADHO CCOCc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925538637 619036655 /nfs/dbraw/zinc/03/66/55/619036655.db2.gz VRUDMINKHSCQJG-DLBZAZTESA-N 1 3 290.451 3.219 20 0 CGADHO FC(F)(F)CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925605097 619083110 /nfs/dbraw/zinc/08/31/10/619083110.db2.gz PBNIZZGEPUCLDF-QWHCGFSZSA-N 1 3 278.362 3.087 20 0 CGADHO Cc1ccsc1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925632279 619098106 /nfs/dbraw/zinc/09/81/06/619098106.db2.gz VYKNJGLTTATKPC-JKSUJKDBSA-N 1 3 292.492 3.357 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC[C@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657898 619113127 /nfs/dbraw/zinc/11/31/27/619113127.db2.gz UVPOATAJUDAZSH-SGMGOOAPSA-N 1 3 268.351 3.100 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000925661488 619116546 /nfs/dbraw/zinc/11/65/46/619116546.db2.gz VGUSNWSYLXIDIE-RDBSUJKOSA-N 1 3 286.410 3.178 20 0 CGADHO CC(C)[C@@H]1C[C@H](CN[C@H](c2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000925682866 619131234 /nfs/dbraw/zinc/13/12/34/619131234.db2.gz GXJZEQXQOPONRF-LMSBXDPUSA-N 1 3 290.451 3.116 20 0 CGADHO C[C@@]1(CC[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C[C@@]1(F)Cl ZINC000925714173 619159635 /nfs/dbraw/zinc/15/96/35/619159635.db2.gz WGEVRHCJTHEWLZ-OGMFBOKVSA-N 1 3 288.838 3.057 20 0 CGADHO CCSc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000925733105 619207199 /nfs/dbraw/zinc/20/71/99/619207199.db2.gz SIIHPXLFLGTMHH-CJNGLKHVSA-N 1 3 278.465 3.276 20 0 CGADHO CC(F)(F)C(C)(C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925735683 619210093 /nfs/dbraw/zinc/21/00/93/619210093.db2.gz WPFZDRPTEKRCJO-WOPDTQHZSA-N 1 3 274.399 3.034 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261930338 619225814 /nfs/dbraw/zinc/22/58/14/619225814.db2.gz JMURKNBBXRXSAU-HOCLYGCPSA-N 1 3 298.430 3.408 20 0 CGADHO CCSc1ccccc1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925834872 619286517 /nfs/dbraw/zinc/28/65/17/619286517.db2.gz JEESCDVBBCBRCO-CVEARBPZSA-N 1 3 290.476 3.201 20 0 CGADHO COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC000893855126 619323042 /nfs/dbraw/zinc/32/30/42/619323042.db2.gz DOJCLAUOGAQPOS-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC000893855126 619323043 /nfs/dbraw/zinc/32/30/43/619323043.db2.gz DOJCLAUOGAQPOS-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO C[NH+]1CCC(CN2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000894773688 619627587 /nfs/dbraw/zinc/62/75/87/619627587.db2.gz WESREAJHGIQONC-KRWDZBQOSA-N 1 3 294.389 3.444 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)CC1)C1CNC1 ZINC000902451160 621329839 /nfs/dbraw/zinc/32/98/39/621329839.db2.gz FUJXWZMOYBHWNT-ZVZYQTTQSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902453757 621332270 /nfs/dbraw/zinc/33/22/70/621332270.db2.gz QHKIAPQBJDMBDM-XGUBFFRZSA-N 1 3 262.441 3.075 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902456206 621334345 /nfs/dbraw/zinc/33/43/45/621334345.db2.gz OCCLJFYAGMKSFG-AAEUAGOBSA-N 1 3 297.393 3.325 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H](C)CN1CCCC1)C1CCOCC1 ZINC000902755463 621426501 /nfs/dbraw/zinc/42/65/01/621426501.db2.gz PHMOETJYNQWUIT-WMZOPIPTSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCN(C2CCC2)C1 ZINC000903147715 621610686 /nfs/dbraw/zinc/61/06/86/621610686.db2.gz MULQKCVOURPMFD-CRCOGDFISA-N 1 3 276.468 3.418 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1CCCC2(CC2)C1)c1cccnc1 ZINC000903379561 621722366 /nfs/dbraw/zinc/72/23/66/621722366.db2.gz YFGCTZLRPRIBDB-DLBZAZTESA-N 1 3 287.451 3.387 20 0 CGADHO CC[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903379871 621722724 /nfs/dbraw/zinc/72/27/24/621722724.db2.gz ZRUAZLRRZMIJAF-IRXDYDNUSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)N(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440727 621750626 /nfs/dbraw/zinc/75/06/26/621750626.db2.gz APMCAEQWCPJAPU-XQQFMLRXSA-N 1 3 289.448 3.417 20 0 CGADHO c1cc2ccc(CN3CCCC[C@]4(CC[NH2+]C4)C3)cc2[nH]1 ZINC000903481503 621765147 /nfs/dbraw/zinc/76/51/47/621765147.db2.gz DVNOJYDWPIZXLQ-GOSISDBHSA-N 1 3 283.419 3.134 20 0 CGADHO c1cc([C@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)cs1 ZINC000903724892 621796791 /nfs/dbraw/zinc/79/67/91/621796791.db2.gz RZODRGPPKINFMF-UKRRQHHQSA-N 1 3 264.438 3.275 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](N)CC(F)F)c1 ZINC000903899926 621829877 /nfs/dbraw/zinc/82/98/77/621829877.db2.gz YURONOCZNFUUEU-DZGCQCFKSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H](N)CC(F)F)c1 ZINC000903899926 621829879 /nfs/dbraw/zinc/82/98/79/621829879.db2.gz YURONOCZNFUUEU-DZGCQCFKSA-N 1 3 282.378 3.423 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910525 621831966 /nfs/dbraw/zinc/83/19/66/621831966.db2.gz NBXDWPRTZYLDJQ-DOTOQJQBSA-N 1 3 296.405 3.314 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910525 621831970 /nfs/dbraw/zinc/83/19/70/621831970.db2.gz NBXDWPRTZYLDJQ-DOTOQJQBSA-N 1 3 296.405 3.314 20 0 CGADHO Cc1ccsc1CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959456 621836710 /nfs/dbraw/zinc/83/67/10/621836710.db2.gz IIIIUDBJOQOYJB-HNNXBMFYSA-N 1 3 264.438 3.022 20 0 CGADHO CCC1([NH3+])CCN(CCCCCOc2ccccc2)CC1 ZINC000903946639 621839750 /nfs/dbraw/zinc/83/97/50/621839750.db2.gz XWOGKMNOZFENTB-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CC(C)(/C=C\Cl)NCc1cc2c(s1)CC[NH2+]C2 ZINC000903988833 621847501 /nfs/dbraw/zinc/84/75/01/621847501.db2.gz YAMKEGOGVCASNY-PLNGDYQASA-N 1 3 270.829 3.015 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000226500689 622975074 /nfs/dbraw/zinc/97/50/74/622975074.db2.gz AXNWILQCCNDEMQ-BZUAXINKSA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166082187 626171515 /nfs/dbraw/zinc/17/15/15/626171515.db2.gz QHOIXJVKBYENEN-QZTJIDSGSA-N 1 3 284.447 3.325 20 0 CGADHO c1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000166082187 626171517 /nfs/dbraw/zinc/17/15/17/626171517.db2.gz QHOIXJVKBYENEN-QZTJIDSGSA-N 1 3 284.447 3.325 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccnc(Cl)c1 ZINC000765141521 627241666 /nfs/dbraw/zinc/24/16/66/627241666.db2.gz KYEIHKBPCLCKHW-GFCCVEGCSA-N 1 3 293.842 3.260 20 0 CGADHO C[C@H]1C[N@H+](CC[C@@H]2CCCCN2C)Cc2ccccc21 ZINC000779460500 628414634 /nfs/dbraw/zinc/41/46/34/628414634.db2.gz QIRHGHJAUOVFBG-RDJZCZTQSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@H]1C[N@@H+](CC[C@@H]2CCCCN2C)Cc2ccccc21 ZINC000779460500 628414635 /nfs/dbraw/zinc/41/46/35/628414635.db2.gz QIRHGHJAUOVFBG-RDJZCZTQSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@H](C1CC1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000782180995 628620363 /nfs/dbraw/zinc/62/03/63/628620363.db2.gz NSWPFBZXQZHXLZ-OAGGEKHMSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@H](C1CC1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000782180995 628620365 /nfs/dbraw/zinc/62/03/65/628620365.db2.gz NSWPFBZXQZHXLZ-OAGGEKHMSA-N 1 3 264.457 3.371 20 0 CGADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000863481467 629588293 /nfs/dbraw/zinc/58/82/93/629588293.db2.gz DSNQFUOBURLXRC-FPCVCCKLSA-N 1 3 262.441 3.220 20 0 CGADHO C[N@H+](CCCCNCc1nc(C(C)(C)C)cs1)C1CC1 ZINC000865595170 630208140 /nfs/dbraw/zinc/20/81/40/630208140.db2.gz CYRAWJJVDFDPLO-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO C[N@@H+](CCCCNCc1nc(C(C)(C)C)cs1)C1CC1 ZINC000865595170 630208146 /nfs/dbraw/zinc/20/81/46/630208146.db2.gz CYRAWJJVDFDPLO-UHFFFAOYSA-N 1 3 295.496 3.405 20 0 CGADHO COCc1ccc(CNCCC2CC[NH+](C(C)C)CC2)o1 ZINC000865716891 630454542 /nfs/dbraw/zinc/45/45/42/630454542.db2.gz HHODDJMZXZWAJQ-UHFFFAOYSA-N 1 3 294.439 3.026 20 0 CGADHO Cc1ccncc1CCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000809582235 630754868 /nfs/dbraw/zinc/75/48/68/630754868.db2.gz VSORXXLRLXANJO-SFHVURJKSA-N 1 3 289.467 3.129 20 0 CGADHO Cc1ccncc1CCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000809582235 630754873 /nfs/dbraw/zinc/75/48/73/630754873.db2.gz VSORXXLRLXANJO-SFHVURJKSA-N 1 3 289.467 3.129 20 0 CGADHO CC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000817945964 632243351 /nfs/dbraw/zinc/24/33/51/632243351.db2.gz OPOQPTDGPSCUHA-PBHICJAKSA-N 1 3 288.435 3.052 20 0 CGADHO [NH3+]CCc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000817950243 632246848 /nfs/dbraw/zinc/24/68/48/632246848.db2.gz WYQOGLRLXBHNLZ-SFHVURJKSA-N 1 3 284.378 3.104 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000817962840 632258790 /nfs/dbraw/zinc/25/87/90/632258790.db2.gz LXQSDSYGIVUBTQ-KGLIPLIRSA-N 1 3 296.414 3.492 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000817981217 632271059 /nfs/dbraw/zinc/27/10/59/632271059.db2.gz HGTKOTPQLVMONQ-IAGOWNOFSA-N 1 3 258.409 3.089 20 0 CGADHO CC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982518 632272655 /nfs/dbraw/zinc/27/26/55/632272655.db2.gz UQAMZNCKLGHQBF-IRXDYDNUSA-N 1 3 288.435 3.180 20 0 CGADHO C[C@@H](N[C@H](CO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820811041 632681040 /nfs/dbraw/zinc/68/10/40/632681040.db2.gz JTSZEVLQJPGOQU-DNVCBOLYSA-N 1 3 298.430 3.132 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1cccnc1)CN1CCCCC1 ZINC000866236983 633039399 /nfs/dbraw/zinc/03/93/99/633039399.db2.gz ANSHWOZMFICLDB-IRXDYDNUSA-N 1 3 289.467 3.114 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583656 633203743 /nfs/dbraw/zinc/20/37/43/633203743.db2.gz DECZILSMMXVGSR-QGPMSJSTSA-N 1 3 290.426 3.173 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583656 633203746 /nfs/dbraw/zinc/20/37/46/633203746.db2.gz DECZILSMMXVGSR-QGPMSJSTSA-N 1 3 290.426 3.173 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000866707411 633235829 /nfs/dbraw/zinc/23/58/29/633235829.db2.gz OAHKMBSQCOHMNX-DGCLKSJQSA-N 1 3 293.282 3.267 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872019558 633939678 /nfs/dbraw/zinc/93/96/78/633939678.db2.gz WSFGTRDPOJJBTF-IAGOWNOFSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](C1CC1)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872103420 634024236 /nfs/dbraw/zinc/02/42/36/634024236.db2.gz ZVUWYHLWLSMDBS-CQSZACIVSA-N 1 3 250.430 3.125 20 0 CGADHO Clc1cnc(CN[C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232229 634294345 /nfs/dbraw/zinc/29/43/45/634294345.db2.gz CKHPYYHHCQFCAE-NSHDSACASA-N 1 3 299.871 3.199 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000873244517 634298278 /nfs/dbraw/zinc/29/82/78/634298278.db2.gz MHVRTEJDBQSRNP-AZAGILFBSA-N 1 3 287.451 3.468 20 0 CGADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000873257510 634305756 /nfs/dbraw/zinc/30/57/56/634305756.db2.gz UXNNVCWPVWCNOD-YRGRVCCFSA-N 1 3 287.432 3.198 20 0 CGADHO C[C@H]1CN(CCCCCCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000842472721 635378619 /nfs/dbraw/zinc/37/86/19/635378619.db2.gz JGFDXYSVYHZVLH-WMZOPIPTSA-N 1 3 290.451 3.358 20 0 CGADHO C(CC1CC1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285487 635442991 /nfs/dbraw/zinc/44/29/91/635442991.db2.gz AMUBBRUEVUYWPZ-WBVHZDCISA-N 1 3 262.441 3.125 20 0 CGADHO C(CC1CC1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285487 635442993 /nfs/dbraw/zinc/44/29/93/635442993.db2.gz AMUBBRUEVUYWPZ-WBVHZDCISA-N 1 3 262.441 3.125 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513061 635539026 /nfs/dbraw/zinc/53/90/26/635539026.db2.gz UEWXJMHJGYDFEW-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513061 635539031 /nfs/dbraw/zinc/53/90/31/635539031.db2.gz UEWXJMHJGYDFEW-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878513061 635539038 /nfs/dbraw/zinc/53/90/38/635539038.db2.gz UEWXJMHJGYDFEW-UONOGXRCSA-N 1 3 274.399 3.228 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCCc1ccsc1 ZINC000843360462 635653534 /nfs/dbraw/zinc/65/35/34/635653534.db2.gz XRENJQMCRMXKHW-GOOCMWNKSA-N 1 3 264.438 3.025 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC3(CC3)C2)C[C@H](C)O1 ZINC000883203959 636583571 /nfs/dbraw/zinc/58/35/71/636583571.db2.gz PHIHGHRVMLPTOV-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](Cc1ccccn1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000848566182 636609207 /nfs/dbraw/zinc/60/92/07/636609207.db2.gz YMTUNQUQBICMBS-OAHLLOKOSA-N 1 3 287.451 3.009 20 0 CGADHO C[C@H](Cc1ccccn1)NC1CC[NH+](C2CCCC2)CC1 ZINC000848566182 636609211 /nfs/dbraw/zinc/60/92/11/636609211.db2.gz YMTUNQUQBICMBS-OAHLLOKOSA-N 1 3 287.451 3.009 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883428033 636752097 /nfs/dbraw/zinc/75/20/97/636752097.db2.gz JWKKTANCHMXXHH-RCCFBDPRSA-N 1 3 288.435 3.110 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)c1 ZINC000132132760 636786466 /nfs/dbraw/zinc/78/64/66/636786466.db2.gz ZAUMMJPENACKOV-CQSZACIVSA-N 1 3 278.440 3.324 20 0 CGADHO Clc1ccc(CNCCCCC[NH+]2CCCCC2)nc1 ZINC000885981466 637342158 /nfs/dbraw/zinc/34/21/58/637342158.db2.gz GGGVSNVZZGKDCV-UHFFFAOYSA-N 1 3 295.858 3.481 20 0 CGADHO CO[C@@H]1CC[C@@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750411 637493201 /nfs/dbraw/zinc/49/32/01/637493201.db2.gz FDEBHBFZEXPIPE-KZNAEPCWSA-N 1 3 294.483 3.142 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886841656 637713480 /nfs/dbraw/zinc/71/34/80/637713480.db2.gz RNASJQKUZCSANI-CRAIPNDOSA-N 1 3 294.483 3.033 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886841656 637713489 /nfs/dbraw/zinc/71/34/89/637713489.db2.gz RNASJQKUZCSANI-CRAIPNDOSA-N 1 3 294.483 3.033 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000924752378 638399966 /nfs/dbraw/zinc/39/99/66/638399966.db2.gz NHLXWGDDKORSRV-HIFRSBDPSA-N 1 3 252.446 3.133 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925543736 638523475 /nfs/dbraw/zinc/52/34/75/638523475.db2.gz WKJRWHMYUSTHRI-YNEHKIRRSA-N 1 3 290.373 3.229 20 0 CGADHO CC1(C)[C@@H](N[C@H]2C[C@H](c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925606832 638544091 /nfs/dbraw/zinc/54/40/91/638544091.db2.gz YGUGZRJMHVZASB-DZVNLGKHSA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000925606832 638544101 /nfs/dbraw/zinc/54/41/01/638544101.db2.gz YGUGZRJMHVZASB-DZVNLGKHSA-N 1 3 284.447 3.299 20 0 CGADHO CC(C)CSCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925626504 638547636 /nfs/dbraw/zinc/54/76/36/638547636.db2.gz RHPKJZCTYYDZDZ-CVEARBPZSA-N 1 3 284.513 3.134 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccccc3F)C1)[NH2+]2 ZINC000925656809 638558449 /nfs/dbraw/zinc/55/84/49/638558449.db2.gz PHMWHOROAXYCKK-MCKLEBTQSA-N 1 3 288.410 3.190 20 0 CGADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925704187 638572138 /nfs/dbraw/zinc/57/21/38/638572138.db2.gz CAGHHYUCODHRHX-QYZOEREBSA-N 1 3 299.462 3.014 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000925709961 638575511 /nfs/dbraw/zinc/57/55/11/638575511.db2.gz XAJOPFHYHIBKAY-MXIHSMQYSA-N 1 3 298.421 3.321 20 0 CGADHO C[C@H]([NH3+])[C@@H](NCC1CCC(F)CC1)c1ccccc1 ZINC000925714576 638577626 /nfs/dbraw/zinc/57/76/26/638577626.db2.gz ZWVYSAJQTKXLTM-ADNDVJRGSA-N 1 3 264.388 3.193 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925734912 638588127 /nfs/dbraw/zinc/58/81/27/638588127.db2.gz CVIWJXOGQHDBHL-YPMHNXCESA-N 1 3 297.393 3.325 20 0 CGADHO COc1cc([C@@H](C)NCCC(C)(C)[NH3+])ccc1SC ZINC000925739910 638591582 /nfs/dbraw/zinc/59/15/82/638591582.db2.gz BGEJRYPOUOHCEW-LLVKDONJSA-N 1 3 282.453 3.195 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925775540 638608924 /nfs/dbraw/zinc/60/89/24/638608924.db2.gz GZDIHHNSFGFKBS-VXGBXAGGSA-N 1 3 286.341 3.030 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925791490 638613956 /nfs/dbraw/zinc/61/39/56/638613956.db2.gz QZJCLTOIKNDANL-RDBSUJKOSA-N 1 3 266.454 3.280 20 0 CGADHO CCSc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000925835159 638627143 /nfs/dbraw/zinc/62/71/43/638627143.db2.gz MZUPSWWHJOUELI-HUUCEWRRSA-N 1 3 278.465 3.058 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)CC1(C)C ZINC000858115910 638635469 /nfs/dbraw/zinc/63/54/69/638635469.db2.gz FZANWLQYQPUYBA-AWEZNQCLSA-N 1 3 271.408 3.130 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000926130985 638717012 /nfs/dbraw/zinc/71/70/12/638717012.db2.gz TUFVCGKPBUSSOQ-INIZCTEOSA-N 1 3 284.513 3.372 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@@H](C)CC(F)(F)F)CC1 ZINC000926187595 638733283 /nfs/dbraw/zinc/73/32/83/638733283.db2.gz DCGXIUCRVJNWER-LBPRGKRZSA-N 1 3 280.378 3.427 20 0 CGADHO C1C(N[C@@H]2CCOC23CCCCC3)CC1[NH+]1CCCCC1 ZINC000926338470 638764251 /nfs/dbraw/zinc/76/42/51/638764251.db2.gz DWIQSZFQFDLCCQ-OFLPRAFFSA-N 1 3 292.467 3.085 20 0 CGADHO CO[C@@H](CNC1CC[NH+](CCC(C)C)CC1)CC(C)C ZINC000926597684 638789921 /nfs/dbraw/zinc/78/99/21/638789921.db2.gz BKLAPWPEIZGNJW-QGZVFWFLSA-N 1 3 284.488 3.148 20 0 CGADHO C[C@H](NCc1ccc(CO)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926630342 638792091 /nfs/dbraw/zinc/79/20/91/638792091.db2.gz DCGSUPQSZRJALG-HNNXBMFYSA-N 1 3 298.430 3.091 20 0 CGADHO C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000926736856 638805486 /nfs/dbraw/zinc/80/54/86/638805486.db2.gz BPPQPGBHXRYLJN-DZJNRPSUSA-N 1 3 274.452 3.053 20 0 CGADHO C[C@H](c1ccc(F)nc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309768 638990101 /nfs/dbraw/zinc/99/01/01/638990101.db2.gz LWBAOZZPYCGMSC-CQSZACIVSA-N 1 3 291.414 3.090 20 0 CGADHO CCC1([NH+]2CCCC2)CCN([C@@H](C)C2CC2)CC1 ZINC000931465530 639155945 /nfs/dbraw/zinc/15/59/45/639155945.db2.gz RKZCLHMWAFHTFF-AWEZNQCLSA-N 1 3 250.430 3.125 20 0 CGADHO CC(C)C[N@H+](CC[C@@H]1CCCN1C)Cc1ccccn1 ZINC000932449871 639335269 /nfs/dbraw/zinc/33/52/69/639335269.db2.gz ULCXYXBITFFWRT-KRWDZBQOSA-N 1 3 275.440 3.024 20 0 CGADHO CC(C)C[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccn1 ZINC000932449871 639335278 /nfs/dbraw/zinc/33/52/78/639335278.db2.gz ULCXYXBITFFWRT-KRWDZBQOSA-N 1 3 275.440 3.024 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251007839 640820147 /nfs/dbraw/zinc/82/01/47/640820147.db2.gz SLWLGEPBTCFEQE-KBMXLJTQSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007839 640820151 /nfs/dbraw/zinc/82/01/51/640820151.db2.gz SLWLGEPBTCFEQE-KBMXLJTQSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251007837 640820185 /nfs/dbraw/zinc/82/01/85/640820185.db2.gz SLWLGEPBTCFEQE-BMFZPTHFSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251007837 640820187 /nfs/dbraw/zinc/82/01/87/640820187.db2.gz SLWLGEPBTCFEQE-BMFZPTHFSA-N 1 3 292.854 3.487 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc(C)cc1CN ZINC001158735338 805992033 /nfs/dbraw/zinc/99/20/33/805992033.db2.gz CAWVJSYKIKGVDF-MRXNPFEDSA-N 1 3 296.418 3.089 20 0 CGADHO CCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253539755 806242650 /nfs/dbraw/zinc/24/26/50/806242650.db2.gz ZIXIKTXWPSVEOM-BZSNNMDCSA-N 1 3 296.499 3.266 20 0 CGADHO CCCCC[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001253539755 806242653 /nfs/dbraw/zinc/24/26/53/806242653.db2.gz ZIXIKTXWPSVEOM-BZSNNMDCSA-N 1 3 296.499 3.266 20 0 CGADHO CCCCC[C@@H](O)CNC1CC[NH+](CC2CCCC2)CC1 ZINC001253557376 806254934 /nfs/dbraw/zinc/25/49/34/806254934.db2.gz ACCHZLXAOWXLNM-GOSISDBHSA-N 1 3 296.499 3.172 20 0 CGADHO CCCCC[C@@H](O)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001253557376 806254938 /nfs/dbraw/zinc/25/49/38/806254938.db2.gz ACCHZLXAOWXLNM-GOSISDBHSA-N 1 3 296.499 3.172 20 0 CGADHO CCCCC[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC001253558877 806257105 /nfs/dbraw/zinc/25/71/05/806257105.db2.gz GJVLXJOXEMZQHB-GOSISDBHSA-N 1 3 296.499 3.314 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+](C)C[C@H](C)CN ZINC001254491283 806415777 /nfs/dbraw/zinc/41/57/77/806415777.db2.gz SVTSZTGCYQKHAX-WBVHZDCISA-N 1 3 262.441 3.315 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+](C)C[C@H](C)CN ZINC001254491283 806415782 /nfs/dbraw/zinc/41/57/82/806415782.db2.gz SVTSZTGCYQKHAX-WBVHZDCISA-N 1 3 262.441 3.315 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC001254513371 806433144 /nfs/dbraw/zinc/43/31/44/806433144.db2.gz XFXGQMAFFHTKSF-GJZGRUSLSA-N 1 3 276.424 3.220 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525466 806438158 /nfs/dbraw/zinc/43/81/58/806438158.db2.gz JHDAQFNRNMGISC-NVXWUHKLSA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525466 806438159 /nfs/dbraw/zinc/43/81/59/806438159.db2.gz JHDAQFNRNMGISC-NVXWUHKLSA-N 1 3 276.399 3.099 20 0 CGADHO c1ccc(CN2CCC[C@@H]([NH2+]Cc3ccncc3)CC2)cc1 ZINC001255378296 806628794 /nfs/dbraw/zinc/62/87/94/806628794.db2.gz NLTYPQLHRZXBGD-LJQANCHMSA-N 1 3 295.430 3.226 20 0 CGADHO FCC1([NH2+][C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255381989 806630733 /nfs/dbraw/zinc/63/07/33/806630733.db2.gz RFEWTVKPKRECLT-INIZCTEOSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1-c1ccccc1C(C)(C)[NH3+] ZINC001162779409 806664562 /nfs/dbraw/zinc/66/45/62/806664562.db2.gz ZGYNIZDOLFNJOD-LBPRGKRZSA-N 1 3 294.402 3.239 20 0 CGADHO C[C@H]([NH3+])c1ccc2c(ccn2-c2ccc3[nH]c(N)nc3c2)c1 ZINC001162908021 806683240 /nfs/dbraw/zinc/68/32/40/806683240.db2.gz JDZNNEVSTPMNKU-JTQLQIEISA-N 1 3 291.358 3.109 20 0 CGADHO CC[NH+](CC)CCCNC1CC(c2ccccc2)C1 ZINC000036840419 798851713 /nfs/dbraw/zinc/85/17/13/798851713.db2.gz MCMYGIGKRUGKMV-UHFFFAOYSA-N 1 3 260.425 3.254 20 0 CGADHO CCN(CC)CCC[NH2+]C1CC(c2ccccc2)C1 ZINC000036840419 798851715 /nfs/dbraw/zinc/85/17/15/798851715.db2.gz MCMYGIGKRUGKMV-UHFFFAOYSA-N 1 3 260.425 3.254 20 0 CGADHO Cc1cc([C@H]2CCC[N@H+]2C2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001255674381 806702354 /nfs/dbraw/zinc/70/23/54/806702354.db2.gz RXCLJDANVKWGGD-KJFZJZGVSA-N 1 3 289.423 3.135 20 0 CGADHO Cc1cc([C@H]2CCC[N@@H+]2C2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001255674381 806702362 /nfs/dbraw/zinc/70/23/62/806702362.db2.gz RXCLJDANVKWGGD-KJFZJZGVSA-N 1 3 289.423 3.135 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000387976377 799449466 /nfs/dbraw/zinc/44/94/66/799449466.db2.gz DURBVYYKQXXKEZ-JTQLQIEISA-N 1 3 274.330 3.483 20 0 CGADHO CCCC[C@@H](CC)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403312332 799565240 /nfs/dbraw/zinc/56/52/40/799565240.db2.gz YZCNRTMIPLXOIH-OLZOCXBDSA-N 1 3 262.388 3.119 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000403517472 799567189 /nfs/dbraw/zinc/56/71/89/799567189.db2.gz OUARSEBKWMBDHR-RIVFINISSA-N 1 3 274.433 3.147 20 0 CGADHO C[C@@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)[C@@H]1CC[NH3+] ZINC000404451771 799577329 /nfs/dbraw/zinc/57/73/29/799577329.db2.gz ZDHJZUBYNKOJOM-IJLUTSLNSA-N 1 3 279.255 3.020 20 0 CGADHO CCC[NH+](CCC)Cc1cc2c(s1)CCNC2 ZINC000687955772 799740654 /nfs/dbraw/zinc/74/06/54/799740654.db2.gz XOPJDFXAUUMJNS-UHFFFAOYSA-N 1 3 252.427 3.016 20 0 CGADHO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968029 799743172 /nfs/dbraw/zinc/74/31/72/799743172.db2.gz GJJGVRBNFVCMMC-WCQYABFASA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968029 799743178 /nfs/dbraw/zinc/74/31/78/799743178.db2.gz GJJGVRBNFVCMMC-WCQYABFASA-N 1 3 264.438 3.014 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NC1(Cc2ccccc2)CC1 ZINC001255943556 806791584 /nfs/dbraw/zinc/79/15/84/806791584.db2.gz NZCUIUQKEJTWFM-MRXNPFEDSA-N 1 3 274.452 3.472 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC001255943556 806791588 /nfs/dbraw/zinc/79/15/88/806791588.db2.gz NZCUIUQKEJTWFM-MRXNPFEDSA-N 1 3 274.452 3.472 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001255947577 806792550 /nfs/dbraw/zinc/79/25/50/806792550.db2.gz SSWJOPWXGVRQST-GJZGRUSLSA-N 1 3 278.440 3.206 20 0 CGADHO C([C@H]1CCCCN1)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708762659 799993378 /nfs/dbraw/zinc/99/33/78/799993378.db2.gz AOCMWXOQTCOLDI-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@H]1CCCCN1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708762659 799993381 /nfs/dbraw/zinc/99/33/81/799993381.db2.gz AOCMWXOQTCOLDI-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1(C)Cc2ccccc2C1 ZINC001255949784 806793926 /nfs/dbraw/zinc/79/39/26/806793926.db2.gz AVJXPJKKMCQXQP-OAHLLOKOSA-N 1 3 274.452 3.254 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC001255948608 806794092 /nfs/dbraw/zinc/79/40/92/806794092.db2.gz OSQBVHICYFHOPH-ZDUSSCGKSA-N 1 3 284.394 3.217 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1ccc(F)c(F)c1 ZINC001255948608 806794094 /nfs/dbraw/zinc/79/40/94/806794094.db2.gz OSQBVHICYFHOPH-ZDUSSCGKSA-N 1 3 284.394 3.217 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)Cc1ccncc1 ZINC001255952123 806795007 /nfs/dbraw/zinc/79/50/07/806795007.db2.gz CTVMFBIOITZYNU-OAHLLOKOSA-N 1 3 277.456 3.113 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)CC1CCOCC1 ZINC001255950920 806795695 /nfs/dbraw/zinc/79/56/95/806795695.db2.gz FMVSTOVJJYWFRX-OAHLLOKOSA-N 1 3 284.488 3.292 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC001255954389 806796445 /nfs/dbraw/zinc/79/64/45/806796445.db2.gz VXGISFFZAHHEDJ-OAHLLOKOSA-N 1 3 274.452 3.111 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NC1(Cc2ccc(O)cc2)CC1 ZINC001255953592 806796673 /nfs/dbraw/zinc/79/66/73/806796673.db2.gz TZDQVKNANJFOBC-HNNXBMFYSA-N 1 3 290.451 3.177 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1(Cc2ccc(O)cc2)CC1 ZINC001255953592 806796678 /nfs/dbraw/zinc/79/66/78/806796678.db2.gz TZDQVKNANJFOBC-HNNXBMFYSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715582069 800139452 /nfs/dbraw/zinc/13/94/52/800139452.db2.gz WSXRBPWOULMDLX-COXVUDFISA-N 1 3 278.415 3.219 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715577334 800139971 /nfs/dbraw/zinc/13/99/71/800139971.db2.gz ACOUJTUQCFZUCU-XOKHGSTOSA-N 1 3 278.415 3.219 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCCCC2)C[C@@H]1C(F)(F)F ZINC000720888859 800270669 /nfs/dbraw/zinc/27/06/69/800270669.db2.gz NNSWCICKAZHSMO-KGLIPLIRSA-N 1 3 292.389 3.416 20 0 CGADHO CC(C)CC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256358101 806865888 /nfs/dbraw/zinc/86/58/88/806865888.db2.gz CFBFSMYGDFLYGW-INIZCTEOSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)[NH+]1CCC(N2CCC[C@@H](F)CC2)CC1 ZINC001256569706 806920146 /nfs/dbraw/zinc/92/01/46/806920146.db2.gz NWMCOHKMMLWOPA-CYBMUJFWSA-N 1 3 256.409 3.073 20 0 CGADHO COc1ccccc1C(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001256618246 806927349 /nfs/dbraw/zinc/92/73/49/806927349.db2.gz FVXNWZSCKXPRMF-GOOCMWNKSA-N 1 3 288.435 3.145 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256782019 806976039 /nfs/dbraw/zinc/97/60/39/806976039.db2.gz KEGBSPKFQLUHGN-ZWKOTPCHSA-N 1 3 290.451 3.228 20 0 CGADHO CC[N@@H+]1CCCN(c2c(C)cnc3ccccc32)CC1 ZINC001116271691 802320341 /nfs/dbraw/zinc/32/03/41/802320341.db2.gz LPNBUNUXULTBKU-UHFFFAOYSA-N 1 3 269.392 3.075 20 0 CGADHO CC[N@H+]1CCCN(c2c(C)cnc3ccccc32)CC1 ZINC001116271691 802320354 /nfs/dbraw/zinc/32/03/54/802320354.db2.gz LPNBUNUXULTBKU-UHFFFAOYSA-N 1 3 269.392 3.075 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c(F)cccc3F)C[C@@H]2C1 ZINC001119988971 802721236 /nfs/dbraw/zinc/72/12/36/802721236.db2.gz MMAOCYYYJKGCNF-MELADBBJSA-N 1 3 294.389 3.127 20 0 CGADHO C[NH2+]Cc1cccc(-c2cnccc2/C=C/N(C)C)c1F ZINC001244864562 803555240 /nfs/dbraw/zinc/55/52/40/803555240.db2.gz OBDULAGZYBDFGB-CSKARUKUSA-N 1 3 285.366 3.139 20 0 CGADHO Cc1ccc2nc(C[N@H+]3CC[C@@]4(CCN(C)C4)C3)ccc2c1 ZINC001137217026 803699066 /nfs/dbraw/zinc/69/90/66/803699066.db2.gz HDRRQYAYBLMCKL-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccc2nc(C[N@@H+]3CC[C@@]4(CCN(C)C4)C3)ccc2c1 ZINC001137217026 803699071 /nfs/dbraw/zinc/69/90/71/803699071.db2.gz HDRRQYAYBLMCKL-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO CC1CCC([NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246066985 804106909 /nfs/dbraw/zinc/10/69/09/804106909.db2.gz SWXOOJLKZHZMJM-PFSRBDOWSA-N 1 3 252.446 3.321 20 0 CGADHO CC1CCC([NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246066981 804107007 /nfs/dbraw/zinc/10/70/07/804107007.db2.gz SWXOOJLKZHZMJM-CVSAEHQPSA-N 1 3 252.446 3.321 20 0 CGADHO CC1CCC([NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246066988 804108318 /nfs/dbraw/zinc/10/83/18/804108318.db2.gz SWXOOJLKZHZMJM-WUCCLRPBSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(F)cc2)C[C@H](CC)[NH2+]1 ZINC001246073561 804112193 /nfs/dbraw/zinc/11/21/93/804112193.db2.gz HAUSSUBRMGCWHE-BJWYYQGGSA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@H]1CC(NCCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246094063 804127021 /nfs/dbraw/zinc/12/70/21/804127021.db2.gz FKZASKWGKCORAG-HOTGVXAUSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246098982 804131594 /nfs/dbraw/zinc/13/15/94/804131594.db2.gz QTXKFRXIKSYKNC-MCIONIFRSA-N 1 3 296.455 3.284 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246098983 804131758 /nfs/dbraw/zinc/13/17/58/804131758.db2.gz QTXKFRXIKSYKNC-MGPQQGTHSA-N 1 3 296.455 3.284 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246100936 804133226 /nfs/dbraw/zinc/13/32/26/804133226.db2.gz UPLNYYGCCZOHDQ-JHJVBQTASA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)[NH2+]C1 ZINC001246105993 804138963 /nfs/dbraw/zinc/13/89/63/804138963.db2.gz CLWQNXUCCSFTCW-FDYHWXHSSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246107084 804139881 /nfs/dbraw/zinc/13/98/81/804139881.db2.gz YXSCIWZTYPZVIO-MELADBBJSA-N 1 3 296.455 3.142 20 0 CGADHO c1ccc([C@@H]2CCC[C@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246107395 804140525 /nfs/dbraw/zinc/14/05/25/804140525.db2.gz AWNVFEPWPPCSNH-IXDOHACOSA-N 1 3 258.409 3.054 20 0 CGADHO COc1ccc2cc(CC[C@H](C)[NH2+]C3CC(N)C3)ccc2c1 ZINC001246112378 804143228 /nfs/dbraw/zinc/14/32/28/804143228.db2.gz NVZQTDRKVHPIMR-TZYSRNFLSA-N 1 3 298.430 3.249 20 0 CGADHO COc1ccc2cc(CC[C@H](C)NC3CC([NH3+])C3)ccc2c1 ZINC001246112378 804143235 /nfs/dbraw/zinc/14/32/35/804143235.db2.gz NVZQTDRKVHPIMR-TZYSRNFLSA-N 1 3 298.430 3.249 20 0 CGADHO CC(C)CCC[C@@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246113357 804144676 /nfs/dbraw/zinc/14/46/76/804144676.db2.gz NYSSLOQTPBDXNC-HUUCEWRRSA-N 1 3 258.425 3.273 20 0 CGADHO C[C@H]1CNC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246116468 804147569 /nfs/dbraw/zinc/14/75/69/804147569.db2.gz MPDMGEKZFRFJDY-ZFWWWQNUSA-N 1 3 250.430 3.077 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CNC[C@@H]2C)CC1 ZINC001246117340 804149389 /nfs/dbraw/zinc/14/93/89/804149389.db2.gz QJFFWFUMVUCDGJ-VXGQWTEUSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)NC[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246118021 804150271 /nfs/dbraw/zinc/15/02/71/804150271.db2.gz DUBMDOVRQUFBSH-XQQFMLRXSA-N 1 3 298.833 3.245 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246150946 804170456 /nfs/dbraw/zinc/17/04/56/804170456.db2.gz UWUFRBANUFJQOY-FJJYHAOUSA-N 1 3 296.867 3.018 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246152809 804170864 /nfs/dbraw/zinc/17/08/64/804170864.db2.gz ORMBHIFUGXEHSS-CVEARBPZSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCc2c(Cl)cccc2Cl)CCN1 ZINC001246160048 804175622 /nfs/dbraw/zinc/17/56/22/804175622.db2.gz SBNLXHMQCGTXFD-GHMZBOCLSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@H](NCCc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC001246160048 804175616 /nfs/dbraw/zinc/17/56/16/804175616.db2.gz SBNLXHMQCGTXFD-GHMZBOCLSA-N 1 3 287.234 3.266 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccc(F)cc2)CCN1 ZINC001246170965 804186615 /nfs/dbraw/zinc/18/66/15/804186615.db2.gz PJIPZBNQUUIRTA-HZPDHXFCSA-N 1 3 278.415 3.267 20 0 CGADHO F[C@@H]1CCNC[C@H]1C[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246219640 804215502 /nfs/dbraw/zinc/21/55/02/804215502.db2.gz BWWDVUUXFLVEQX-HRCADAONSA-N 1 3 282.447 3.417 20 0 CGADHO CCCCC(CCCC)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246224614 804218422 /nfs/dbraw/zinc/21/84/22/804218422.db2.gz XVAKCQWGQLKYSO-UKRRQHHQSA-N 1 3 258.425 3.273 20 0 CGADHO C[C@@H]1CC[C@@H](N[C@@H]2CCCC[C@H]2c2ccccc2)C[NH2+]1 ZINC001246236304 804228274 /nfs/dbraw/zinc/22/82/74/804228274.db2.gz VKRYSQIAGWCXJM-NRSFXHEJSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246242779 804234035 /nfs/dbraw/zinc/23/40/35/804234035.db2.gz HCMSTTMNBXCHQS-NJAFHUGGSA-N 1 3 274.452 3.374 20 0 CGADHO CC(C)(CN)C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246249685 804238600 /nfs/dbraw/zinc/23/86/00/804238600.db2.gz MLFMIDRAALLKTL-CVEARBPZSA-N 1 3 260.425 3.287 20 0 CGADHO CC[C@@H]1C[C@@H](NCCCC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246267190 804245504 /nfs/dbraw/zinc/24/55/04/804245504.db2.gz RHJOCEWOZJJULS-QDMKHBRRSA-N 1 3 298.471 3.007 20 0 CGADHO Cc1ccc(SC[C@@H](C)NCCC(C)(C)[NH3+])cc1 ZINC001246272991 804249358 /nfs/dbraw/zinc/24/93/58/804249358.db2.gz OKVOFWYPEYTAPE-CYBMUJFWSA-N 1 3 266.454 3.193 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC001246273521 804250222 /nfs/dbraw/zinc/25/02/22/804250222.db2.gz PCIZFBTZKDBJKG-BXUZGUMPSA-N 1 3 284.806 3.142 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246275639 804252009 /nfs/dbraw/zinc/25/20/09/804252009.db2.gz BFIVAKRCJJFXHQ-KCPJHIHWSA-N 1 3 299.245 3.320 20 0 CGADHO C[C@@H]([NH3+])CCN[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246306213 804269421 /nfs/dbraw/zinc/26/94/21/804269421.db2.gz QNEPKRPISJGSHW-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1C ZINC001246315273 804275106 /nfs/dbraw/zinc/27/51/06/804275106.db2.gz RSNUYYZZINYJTF-KJFZJZGVSA-N 1 3 258.409 3.319 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246313672 804275536 /nfs/dbraw/zinc/27/55/36/804275536.db2.gz KCBMRXZSVWSAJV-NWDGAFQWSA-N 1 3 287.234 3.178 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCCC2CCCCC2)CCN1 ZINC001246324481 804282150 /nfs/dbraw/zinc/28/21/50/804282150.db2.gz HEENFADVYGTYLN-CVEARBPZSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CCN1 ZINC001246324336 804283091 /nfs/dbraw/zinc/28/30/91/804283091.db2.gz GWRKTALGQGZNLC-UNFYMZTQSA-N 1 3 284.447 3.299 20 0 CGADHO CC(C)C1CCC([NH2+]C2C[C@H](C)N[C@@H](C)C2)CC1 ZINC001246333264 804288529 /nfs/dbraw/zinc/28/85/29/804288529.db2.gz KLBGULINEDPDNI-HESLUPGFSA-N 1 3 252.446 3.320 20 0 CGADHO C[Si](C)(C)C([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)[Si](C)(C)C ZINC001246340437 804292819 /nfs/dbraw/zinc/29/28/19/804292819.db2.gz USANOVPWOZZSSN-WDNDVIMCSA-N 1 3 298.623 3.373 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC001246351254 804300132 /nfs/dbraw/zinc/30/01/32/804300132.db2.gz STNGLUUTPDXQNC-IHRRRGAJSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC2(CC3CCC3)CC2)CCN1 ZINC001246378326 804311542 /nfs/dbraw/zinc/31/15/42/804311542.db2.gz WEUUOBSUSHBQON-HUUCEWRRSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@H]1C[C@@H](NC2(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246384150 804316554 /nfs/dbraw/zinc/31/65/54/804316554.db2.gz AIPPEYAHKGVTOE-DLBZAZTESA-N 1 3 290.426 3.267 20 0 CGADHO C[C@@H]1CC([NH2+]C2(Cc3ccc(F)cc3)CCC2)C[C@@H](C)N1 ZINC001246386065 804316838 /nfs/dbraw/zinc/31/68/38/804316838.db2.gz DCBJIGDPPLCGAJ-ZIAGYGMSSA-N 1 3 290.426 3.410 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246389822 804317857 /nfs/dbraw/zinc/31/78/57/804317857.db2.gz JSMUOSJULQKDGP-CJNGLKHVSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246389822 804317867 /nfs/dbraw/zinc/31/78/67/804317867.db2.gz JSMUOSJULQKDGP-CJNGLKHVSA-N 1 3 276.399 3.021 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC2CCC2)CCN1 ZINC001246387484 804317886 /nfs/dbraw/zinc/31/78/86/804317886.db2.gz FZQZHYKDBMFBKR-GJZGRUSLSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246389823 804317956 /nfs/dbraw/zinc/31/79/56/804317956.db2.gz JSMUOSJULQKDGP-CZUORRHYSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246389823 804317965 /nfs/dbraw/zinc/31/79/65/804317965.db2.gz JSMUOSJULQKDGP-CZUORRHYSA-N 1 3 276.399 3.021 20 0 CGADHO CC[C@H]1C[C@@H](NC2(Cc3cccc(F)c3)CCC2)CC[NH2+]1 ZINC001246392915 804319918 /nfs/dbraw/zinc/31/99/18/804319918.db2.gz OSXSXBWKVMBYRC-IRXDYDNUSA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246392915 804319927 /nfs/dbraw/zinc/31/99/27/804319927.db2.gz OSXSXBWKVMBYRC-IRXDYDNUSA-N 1 3 290.426 3.411 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246393129 804320210 /nfs/dbraw/zinc/32/02/10/804320210.db2.gz RELUELZIBSKMER-HOTGVXAUSA-N 1 3 284.488 3.340 20 0 CGADHO CCC1([NH2+]C2CCC(C(C)C)CC2)CCNCC1 ZINC001246422357 804327808 /nfs/dbraw/zinc/32/78/08/804327808.db2.gz CWBWLQDXRXHTOV-UHFFFAOYSA-N 1 3 252.446 3.323 20 0 CGADHO CCC1([NH2+][C@H](C)CSc2ccc(F)cc2)CCNCC1 ZINC001246423359 804328454 /nfs/dbraw/zinc/32/84/54/804328454.db2.gz IQUWMPNMZMDCAU-CYBMUJFWSA-N 1 3 296.455 3.428 20 0 CGADHO CCC1(N[C@H](C)CSc2ccc(F)cc2)CC[NH2+]CC1 ZINC001246423359 804328463 /nfs/dbraw/zinc/32/84/63/804328463.db2.gz IQUWMPNMZMDCAU-CYBMUJFWSA-N 1 3 296.455 3.428 20 0 CGADHO CC1(C)CC[C@@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246427627 804330592 /nfs/dbraw/zinc/33/05/92/804330592.db2.gz DTNWCTOMCINLDO-MRXNPFEDSA-N 1 3 272.436 3.434 20 0 CGADHO CC[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246434584 804331375 /nfs/dbraw/zinc/33/13/75/804331375.db2.gz NKBUEEHLFOOPCR-CVEARBPZSA-N 1 3 290.426 3.411 20 0 CGADHO CCCCCC[C@@H](CCCC)[NH2+][C@@H]1CC12CNC2 ZINC001246445567 804333407 /nfs/dbraw/zinc/33/34/07/804333407.db2.gz PLWYDJLNSQYVSX-HUUCEWRRSA-N 1 3 252.446 3.467 20 0 CGADHO CC1(C)C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246441275 804333596 /nfs/dbraw/zinc/33/35/96/804333596.db2.gz ZTLSPZFSHYAZBF-INIZCTEOSA-N 1 3 290.426 3.269 20 0 CGADHO CCCC1CCC(NC[C@]2(CC)CCC[NH2+]2)CC1 ZINC001246454166 804336975 /nfs/dbraw/zinc/33/69/75/804336975.db2.gz ABFPJJUFUBQJFT-GPANFISMSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H]1CC([NH2+]C[C@H]2CCCc3ccccc32)C[C@@H](C)N1 ZINC001246466136 804345876 /nfs/dbraw/zinc/34/58/76/804345876.db2.gz MOFBGSCNOBXOSI-IIAWOOMASA-N 1 3 272.436 3.225 20 0 CGADHO c1ccc2c(c1)NC[C@@H]2CN[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246472120 804349208 /nfs/dbraw/zinc/34/92/08/804349208.db2.gz DYZUKJDPTBGTCV-HOTGVXAUSA-N 1 3 299.462 3.240 20 0 CGADHO C(CCC1CCCCC1)CN[C@@H]1CCCC[NH2+]C1 ZINC001246476450 804352944 /nfs/dbraw/zinc/35/29/44/804352944.db2.gz BXVXGYRGDKZSBH-MRXNPFEDSA-N 1 3 252.446 3.469 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246493438 804358531 /nfs/dbraw/zinc/35/85/31/804358531.db2.gz AXUKTTXFANPZQS-RWMBFGLXSA-N 1 3 299.245 3.191 20 0 CGADHO CC[C@H]([NH2+]C1C[C@@H](C)N[C@H](C)C1)C1CCCCC1 ZINC001246491966 804359539 /nfs/dbraw/zinc/35/95/39/804359539.db2.gz UXNARSVVVXCTLR-IOASZLSFSA-N 1 3 252.446 3.464 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246499576 804362136 /nfs/dbraw/zinc/36/21/36/804362136.db2.gz LMYSERYXIIOKAW-HUUCEWRRSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CCC1 ZINC001246508910 804366922 /nfs/dbraw/zinc/36/69/22/804366922.db2.gz GKBJKKKDAYUQPP-SNVBAGLBSA-N 1 3 287.234 3.395 20 0 CGADHO CC(C)[C@@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)C1CNC1 ZINC001246514367 804368805 /nfs/dbraw/zinc/36/88/05/804368805.db2.gz GPAQQVUTCNZIAS-RHSMWYFYSA-N 1 3 292.854 3.031 20 0 CGADHO C1CC([C@@H]([NH2+]C2CCC3(CCCC3)CC2)C2CNC2)C1 ZINC001246518764 804371296 /nfs/dbraw/zinc/37/12/96/804371296.db2.gz PNUDULUKBYRDIE-QGZVFWFLSA-N 1 3 276.468 3.467 20 0 CGADHO C1CC1[C@@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246517530 804372365 /nfs/dbraw/zinc/37/23/65/804372365.db2.gz MMZONWYOVUQSKC-IAGOWNOFSA-N 1 3 276.468 3.467 20 0 CGADHO C1CC1[C@@H]([NH2+]C1CCC2(CCCC2)CC1)C1CNC1 ZINC001246521015 804375620 /nfs/dbraw/zinc/37/56/20/804375620.db2.gz YCYSDVSCXHWHJY-MRXNPFEDSA-N 1 3 262.441 3.077 20 0 CGADHO CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C(C)C)C1 ZINC001246533582 804382921 /nfs/dbraw/zinc/38/29/21/804382921.db2.gz VSOJGCWYBRFNDD-HZPDHXFCSA-N 1 3 252.446 3.418 20 0 CGADHO CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C(C)C)C1 ZINC001246533582 804382928 /nfs/dbraw/zinc/38/29/28/804382928.db2.gz VSOJGCWYBRFNDD-HZPDHXFCSA-N 1 3 252.446 3.418 20 0 CGADHO N[C@@H]1CCC[N@@H+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001246541747 804390978 /nfs/dbraw/zinc/39/09/78/804390978.db2.gz NGABVZSAOLHQMP-KLHKWILBSA-N 1 3 288.435 3.190 20 0 CGADHO N[C@@H]1CCC[N@H+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001246541747 804390986 /nfs/dbraw/zinc/39/09/86/804390986.db2.gz NGABVZSAOLHQMP-KLHKWILBSA-N 1 3 288.435 3.190 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001246549097 804398650 /nfs/dbraw/zinc/39/86/50/804398650.db2.gz HAPJEUANMIZYOW-JYJNAYRXSA-N 1 3 292.492 3.392 20 0 CGADHO C[C@]1([NH3+])CCCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246554492 804404845 /nfs/dbraw/zinc/40/48/45/804404845.db2.gz VJUMAYQGOGWXOT-YOEHRIQHSA-N 1 3 292.854 3.401 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)CCN1 ZINC001246569360 804417238 /nfs/dbraw/zinc/41/72/38/804417238.db2.gz CFLHLJIRAOEZKC-FPCVCCKLSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246582850 804428508 /nfs/dbraw/zinc/42/85/08/804428508.db2.gz HTKAMAFAWFVBKT-PBHICJAKSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@H](Cc1ccccc1F)[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246582850 804428513 /nfs/dbraw/zinc/42/85/13/804428513.db2.gz HTKAMAFAWFVBKT-PBHICJAKSA-N 1 3 278.415 3.208 20 0 CGADHO C[C@]1(F)CCN(C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1F ZINC001246591812 804434210 /nfs/dbraw/zinc/43/42/10/804434210.db2.gz XSLZFWODBCSSAO-PYBGIAKNSA-N 1 3 286.410 3.071 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246608760 804443193 /nfs/dbraw/zinc/44/31/93/804443193.db2.gz JLVNASQKDLXPOB-PKOBYXMFSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@]13CCCNC3)C2 ZINC001246608760 804443196 /nfs/dbraw/zinc/44/31/96/804443196.db2.gz JLVNASQKDLXPOB-PKOBYXMFSA-N 1 3 284.447 3.070 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC[C@]3(CCCC[NH2+]3)C2)C[C@H]1C ZINC001246611602 804444716 /nfs/dbraw/zinc/44/47/16/804444716.db2.gz GQTVJNMKWKMXNW-WCXIOVBPSA-N 1 3 264.457 3.419 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246611620 804446844 /nfs/dbraw/zinc/44/68/44/804446844.db2.gz UTLNORJIRUKPJT-QFBILLFUSA-N 1 3 286.463 3.398 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@]23CCCNC3)cc1 ZINC001246611620 804446848 /nfs/dbraw/zinc/44/68/48/804446848.db2.gz UTLNORJIRUKPJT-QFBILLFUSA-N 1 3 286.463 3.398 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246614339 804448739 /nfs/dbraw/zinc/44/87/39/804448739.db2.gz RUDCLFWYTSCZCX-ZBFHGGJFSA-N 1 3 284.513 3.372 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+]1CCC[C@]2(CCCNC2)C1 ZINC001246614339 804448742 /nfs/dbraw/zinc/44/87/42/804448742.db2.gz RUDCLFWYTSCZCX-ZBFHGGJFSA-N 1 3 284.513 3.372 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623537 804455234 /nfs/dbraw/zinc/45/52/34/804455234.db2.gz AOZUEHCJBNRLAL-XSLAGTTESA-N 1 3 270.420 3.149 20 0 CGADHO C[C@H]1C[C@H](N2CC[C@]3(C2)CCCC[NH2+]3)C[C@@H](C)C1 ZINC001246626909 804458476 /nfs/dbraw/zinc/45/84/76/804458476.db2.gz VIUCJRHQFSAOPF-JJXSEGSLSA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@@H](CCC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642433 804469126 /nfs/dbraw/zinc/46/91/26/804469126.db2.gz WNVRLBHAZBOSMB-SJORKVTESA-N 1 3 282.472 3.047 20 0 CGADHO CCCC[C@@H](CCC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246642433 804469128 /nfs/dbraw/zinc/46/91/28/804469128.db2.gz WNVRLBHAZBOSMB-SJORKVTESA-N 1 3 282.472 3.047 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCC12CCNCC2 ZINC001246642791 804470140 /nfs/dbraw/zinc/47/01/40/804470140.db2.gz PHVXUPMKVXWPKE-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](CC(C)C)[N@H+]1CCC12CCNCC2 ZINC001246642791 804470142 /nfs/dbraw/zinc/47/01/42/804470142.db2.gz PHVXUPMKVXWPKE-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CCc1ccc(C[C@H](C)N2CCC23CC[NH2+]CC3)cc1 ZINC001246642809 804470211 /nfs/dbraw/zinc/47/02/11/804470211.db2.gz PRSFIHUOCAWTJX-HNNXBMFYSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCC23CCNCC3)cc1 ZINC001246642809 804470216 /nfs/dbraw/zinc/47/02/16/804470216.db2.gz PRSFIHUOCAWTJX-HNNXBMFYSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCC23CCNCC3)cc1 ZINC001246642809 804470218 /nfs/dbraw/zinc/47/02/18/804470218.db2.gz PRSFIHUOCAWTJX-HNNXBMFYSA-N 1 3 272.436 3.008 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1CC2CC1(C[NH3+])C2 ZINC001246646846 804473548 /nfs/dbraw/zinc/47/35/48/804473548.db2.gz OOOBHMZSHRROIV-LXPRWKDFSA-N 1 3 272.436 3.211 20 0 CGADHO CCCCCC1CCC(N2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246655251 804480720 /nfs/dbraw/zinc/48/07/20/804480720.db2.gz YSJWBMOGJSDUGP-ODZFXCKXSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)C1 ZINC001246673925 804489376 /nfs/dbraw/zinc/48/93/76/804489376.db2.gz QPCFUFCIZHITIB-LMCOJAPRSA-N 1 3 298.474 3.428 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)C1 ZINC001246673925 804489379 /nfs/dbraw/zinc/48/93/79/804489379.db2.gz QPCFUFCIZHITIB-LMCOJAPRSA-N 1 3 298.474 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246685708 804495811 /nfs/dbraw/zinc/49/58/11/804495811.db2.gz AWPVIYJBSCYYHJ-HRCADAONSA-N 1 3 268.420 3.145 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246685708 804495815 /nfs/dbraw/zinc/49/58/15/804495815.db2.gz AWPVIYJBSCYYHJ-HRCADAONSA-N 1 3 268.420 3.145 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CCN1 ZINC001246759499 804501215 /nfs/dbraw/zinc/50/12/15/804501215.db2.gz MGPPJFCBAIXPPR-DZVNLGKHSA-N 1 3 294.483 3.044 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CCN1 ZINC001246759499 804501217 /nfs/dbraw/zinc/50/12/17/804501217.db2.gz MGPPJFCBAIXPPR-DZVNLGKHSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3ccccc32)CC[NH2+]1 ZINC001246774637 804505294 /nfs/dbraw/zinc/50/52/94/804505294.db2.gz GBCFVQRPYGIPGM-PBHICJAKSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774637 804505301 /nfs/dbraw/zinc/50/53/01/804505301.db2.gz GBCFVQRPYGIPGM-PBHICJAKSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3ccccc32)CCN1 ZINC001246774637 804505306 /nfs/dbraw/zinc/50/53/06/804505306.db2.gz GBCFVQRPYGIPGM-PBHICJAKSA-N 1 3 268.404 3.412 20 0 CGADHO COc1ccc([C@@H]2CCCN2C2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC001246779934 804507446 /nfs/dbraw/zinc/50/74/46/804507446.db2.gz JPLOPUYHTKLCNO-DEYYWGMASA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H]2CCC[N@@H+]2C2C[C@H](C)N[C@@H](C)C2)cc1 ZINC001246779934 804507451 /nfs/dbraw/zinc/50/74/51/804507451.db2.gz JPLOPUYHTKLCNO-DEYYWGMASA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@@H]2CCC[N@H+]2C2C[C@H](C)N[C@@H](C)C2)cc1 ZINC001246779934 804507456 /nfs/dbraw/zinc/50/74/56/804507456.db2.gz JPLOPUYHTKLCNO-DEYYWGMASA-N 1 3 288.435 3.361 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246783442 804509834 /nfs/dbraw/zinc/50/98/34/804509834.db2.gz XJPAIHFFQOWWCK-DJIMGWMZSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCN[C@H](C)C2)cc1 ZINC001246783442 804509838 /nfs/dbraw/zinc/50/98/38/804509838.db2.gz XJPAIHFFQOWWCK-DJIMGWMZSA-N 1 3 258.409 3.272 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246787462 804511194 /nfs/dbraw/zinc/51/11/94/804511194.db2.gz CXOWJKZRAPHMPJ-CABCVRRESA-N 1 3 250.430 3.316 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246787462 804511198 /nfs/dbraw/zinc/51/11/98/804511198.db2.gz CXOWJKZRAPHMPJ-CABCVRRESA-N 1 3 250.430 3.316 20 0 CGADHO C[N@H+](C1CCCC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246801106 804521367 /nfs/dbraw/zinc/52/13/67/804521367.db2.gz ZGTPNCHLZAVSSF-OAHLLOKOSA-N 1 3 250.430 3.316 20 0 CGADHO C[N@@H+](C1CCCC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246801106 804521370 /nfs/dbraw/zinc/52/13/70/804521370.db2.gz ZGTPNCHLZAVSSF-OAHLLOKOSA-N 1 3 250.430 3.316 20 0 CGADHO CCOc1ccc([C@H]2CCCN2[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822670 804536860 /nfs/dbraw/zinc/53/68/60/804536860.db2.gz MIZQSLDOJJEIQE-QILLFSRXSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246822670 804536863 /nfs/dbraw/zinc/53/68/63/804536863.db2.gz MIZQSLDOJJEIQE-QILLFSRXSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@H]2CCC[N@H+]2[C@H]2CCN[C@@H](C)C2)cc1 ZINC001246822670 804536867 /nfs/dbraw/zinc/53/68/67/804536867.db2.gz MIZQSLDOJJEIQE-QILLFSRXSA-N 1 3 288.435 3.363 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CCC[C@H]1CC[NH3+] ZINC001246832682 804543168 /nfs/dbraw/zinc/54/31/68/804543168.db2.gz KLSIBOWZSZPCBF-OCCSQVGLSA-N 1 3 282.428 3.120 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001246840204 804548520 /nfs/dbraw/zinc/54/85/20/804548520.db2.gz GFSVIEKMENRWCO-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CCC[C@H]1CC[NH3+] ZINC001246842815 804551965 /nfs/dbraw/zinc/55/19/65/804551965.db2.gz DMRCMGMQKKSRLC-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)N1 ZINC001246843390 804552029 /nfs/dbraw/zinc/55/20/29/804552029.db2.gz WALPZKQSMSITMD-FRXHMLBDSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)N1 ZINC001246843390 804552032 /nfs/dbraw/zinc/55/20/32/804552032.db2.gz WALPZKQSMSITMD-FRXHMLBDSA-N 1 3 252.446 3.274 20 0 CGADHO c1ccc([C@H]2CCC[N@@H+](C3CCNCC3)CC2)cc1 ZINC001246848125 804558028 /nfs/dbraw/zinc/55/80/28/804558028.db2.gz WFOSAPGKMIDVAH-INIZCTEOSA-N 1 3 258.409 3.008 20 0 CGADHO c1ccc([C@H]2CCC[N@H+](C3CCNCC3)CC2)cc1 ZINC001246848125 804558035 /nfs/dbraw/zinc/55/80/35/804558035.db2.gz WFOSAPGKMIDVAH-INIZCTEOSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC001246847709 804558670 /nfs/dbraw/zinc/55/86/70/804558670.db2.gz LUYXEEMPUDIGMW-IMJJTQAJSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC001246847709 804558676 /nfs/dbraw/zinc/55/86/76/804558676.db2.gz LUYXEEMPUDIGMW-IMJJTQAJSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246870642 804572227 /nfs/dbraw/zinc/57/22/27/804572227.db2.gz YWAFAARGUZNCDT-NUVZVAJJSA-N 1 3 298.474 3.472 20 0 CGADHO c1ccc(CC2CCC([N@H+]3C[C@H]4CC[C@@H](C3)NC4)CC2)cc1 ZINC001246870642 804572228 /nfs/dbraw/zinc/57/22/28/804572228.db2.gz YWAFAARGUZNCDT-NUVZVAJJSA-N 1 3 298.474 3.472 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(Cc2ccc(F)cc2F)CC1 ZINC001246871995 804573722 /nfs/dbraw/zinc/57/37/22/804573722.db2.gz SWILWRVPFRDQOI-ZDUSSCGKSA-N 1 3 296.405 3.217 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246909912 804592910 /nfs/dbraw/zinc/59/29/10/804592910.db2.gz SDSQEUDNOITEBF-DOTOQJQBSA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCN[C@@H](C)C1 ZINC001246909912 804592914 /nfs/dbraw/zinc/59/29/14/804592914.db2.gz SDSQEUDNOITEBF-DOTOQJQBSA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCN[C@@H](C)C1 ZINC001246909912 804592918 /nfs/dbraw/zinc/59/29/18/804592918.db2.gz SDSQEUDNOITEBF-DOTOQJQBSA-N 1 3 260.425 3.266 20 0 CGADHO C(C1CC1)[N@H+](C1CC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246911871 804594434 /nfs/dbraw/zinc/59/44/34/804594434.db2.gz JFBLVFWJKRDTHH-MRXNPFEDSA-N 1 3 262.441 3.316 20 0 CGADHO C(C1CC1)[N@@H+](C1CC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246911871 804594437 /nfs/dbraw/zinc/59/44/37/804594437.db2.gz JFBLVFWJKRDTHH-MRXNPFEDSA-N 1 3 262.441 3.316 20 0 CGADHO C(C1CC1)[N@H+](C1CC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246911842 804595507 /nfs/dbraw/zinc/59/55/07/804595507.db2.gz JFBLVFWJKRDTHH-INIZCTEOSA-N 1 3 262.441 3.316 20 0 CGADHO C(C1CC1)[N@@H+](C1CC1)[C@H]1CCNC2(CCCCC2)C1 ZINC001246911842 804595512 /nfs/dbraw/zinc/59/55/12/804595512.db2.gz JFBLVFWJKRDTHH-INIZCTEOSA-N 1 3 262.441 3.316 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC001246915926 804598013 /nfs/dbraw/zinc/59/80/13/804598013.db2.gz ZHPHRXAHDRRLDD-GDBMZVCRSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC001246915926 804598019 /nfs/dbraw/zinc/59/80/19/804598019.db2.gz ZHPHRXAHDRRLDD-GDBMZVCRSA-N 1 3 250.430 3.172 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)CSc1ccc(F)cc1 ZINC001246942181 804612963 /nfs/dbraw/zinc/61/29/63/804612963.db2.gz NIRXKTCSAUXADG-ZIAGYGMSSA-N 1 3 296.455 3.238 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246972508 804622014 /nfs/dbraw/zinc/62/20/14/804622014.db2.gz JYQOYRBSRARPCD-UONOGXRCSA-N 1 3 284.513 3.371 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC001246972508 804622018 /nfs/dbraw/zinc/62/20/18/804622018.db2.gz JYQOYRBSRARPCD-UONOGXRCSA-N 1 3 284.513 3.371 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246972505 804622343 /nfs/dbraw/zinc/62/23/43/804622343.db2.gz JYQOYRBSRARPCD-KGLIPLIRSA-N 1 3 284.513 3.371 20 0 CGADHO CSC(C)(C)C[C@@H](C)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246972505 804622347 /nfs/dbraw/zinc/62/23/47/804622347.db2.gz JYQOYRBSRARPCD-KGLIPLIRSA-N 1 3 284.513 3.371 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977994 804625521 /nfs/dbraw/zinc/62/55/21/804625521.db2.gz GTQXCROGIQCHIM-NZSAHSFTSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CCc3ccccc3)C2)CCN1 ZINC001246977994 804625525 /nfs/dbraw/zinc/62/55/25/804625525.db2.gz GTQXCROGIQCHIM-NZSAHSFTSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247017016 804644828 /nfs/dbraw/zinc/64/48/28/804644828.db2.gz ZMHVCNKCSKATNR-FRFSOERESA-N 1 3 292.854 3.345 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNc2ccncc2-c2ccccc2)C1 ZINC001165289874 806987661 /nfs/dbraw/zinc/98/76/61/806987661.db2.gz LBFYLUYZUXLBED-MRXNPFEDSA-N 1 3 295.430 3.314 20 0 CGADHO C[N@H+]1CCC[C@H](CCNc2ccncc2-c2ccccc2)C1 ZINC001165289874 806987667 /nfs/dbraw/zinc/98/76/67/806987667.db2.gz LBFYLUYZUXLBED-MRXNPFEDSA-N 1 3 295.430 3.314 20 0 CGADHO C[NH+](C)CCCc1ccc(CN2CCCCC2)c(F)c1 ZINC001250163620 805453314 /nfs/dbraw/zinc/45/33/14/805453314.db2.gz BAJCBNLLLCPIFA-UHFFFAOYSA-N 1 3 278.415 3.306 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001257432127 807153626 /nfs/dbraw/zinc/15/36/26/807153626.db2.gz RHRAFYFNFZXBDB-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO C[NH2+]Cc1cn(-c2cc(N(C)C)ccn2)c2ccc(C)cc12 ZINC001167123570 807155723 /nfs/dbraw/zinc/15/57/23/807155723.db2.gz LXPWJEPWCXQKOZ-UHFFFAOYSA-N 1 3 294.402 3.119 20 0 CGADHO NC1(c2ccccc2Cl)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917890 807274155 /nfs/dbraw/zinc/27/41/55/807274155.db2.gz DHZZHDBKGONWIR-WDNDVIMCSA-N 1 3 290.838 3.388 20 0 CGADHO c1ccc(CN2CC3(C2)CC[NH+]([C@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001167952287 807281348 /nfs/dbraw/zinc/28/13/48/807281348.db2.gz NLEGMYDMWCFBPZ-BWTSREIZSA-N 1 3 296.458 3.383 20 0 CGADHO F[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167960495 807285898 /nfs/dbraw/zinc/28/58/98/807285898.db2.gz ZMEPXZMBFGCCFV-DJSILETISA-N 1 3 280.431 3.262 20 0 CGADHO CC(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167959550 807286848 /nfs/dbraw/zinc/28/68/48/807286848.db2.gz QVSJXPMPEUKKPT-OHRKKDJYSA-N 1 3 250.430 3.026 20 0 CGADHO C[C@H](Cc1ccco1)NC1CC[NH+](C2CCCC2)CC1 ZINC001258178703 807343343 /nfs/dbraw/zinc/34/33/43/807343343.db2.gz KOZWABRPHZSNIE-CQSZACIVSA-N 1 3 276.424 3.207 20 0 CGADHO C[C@H](Cc1ccco1)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001258178703 807343348 /nfs/dbraw/zinc/34/33/48/807343348.db2.gz KOZWABRPHZSNIE-CQSZACIVSA-N 1 3 276.424 3.207 20 0 CGADHO CC1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001168204526 807348864 /nfs/dbraw/zinc/34/88/64/807348864.db2.gz WOHUQIHERUQZNE-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO CCCN1C[C@H]2C[NH+](C3CCCCCCC3)C[C@@H]2C1 ZINC001258244074 807385847 /nfs/dbraw/zinc/38/58/47/807385847.db2.gz MXGPKFBYLWLQAW-HOTGVXAUSA-N 1 3 264.457 3.373 20 0 CGADHO c1cc2c(s1)CC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168368787 807398321 /nfs/dbraw/zinc/39/83/21/807398321.db2.gz PJVPMEPJALVZSE-HNNXBMFYSA-N 1 3 276.449 3.199 20 0 CGADHO CSC(C)(C)C[C@H](C)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001258345771 807421869 /nfs/dbraw/zinc/42/18/69/807421869.db2.gz QGBPONUUMHFUEW-ZDUSSCGKSA-N 1 3 284.513 3.465 20 0 CGADHO CSC(C)(C)C[C@H](C)N1CCC([N@H+](C)C2CC2)CC1 ZINC001258345771 807421872 /nfs/dbraw/zinc/42/18/72/807421872.db2.gz QGBPONUUMHFUEW-ZDUSSCGKSA-N 1 3 284.513 3.465 20 0 CGADHO CSC(C)(C)C[C@H](C)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001258345771 807421875 /nfs/dbraw/zinc/42/18/75/807421875.db2.gz QGBPONUUMHFUEW-ZDUSSCGKSA-N 1 3 284.513 3.465 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001169078380 807567952 /nfs/dbraw/zinc/56/79/52/807567952.db2.gz DRGXJCFWWCTNMA-QKDCVEJESA-N 1 3 298.352 3.420 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC001169091848 807570987 /nfs/dbraw/zinc/57/09/87/807570987.db2.gz WFKQHTBCHDSZGG-QDMKHBRRSA-N 1 3 278.827 3.363 20 0 CGADHO CCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169091162 807571182 /nfs/dbraw/zinc/57/11/82/807571182.db2.gz OMFONSJJTSVSHT-BJWYYQGGSA-N 1 3 288.435 3.190 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001169099636 807575655 /nfs/dbraw/zinc/57/56/55/807575655.db2.gz CZQPWEGILSUYHN-QEOTZNIISA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001169099636 807575660 /nfs/dbraw/zinc/57/56/60/807575660.db2.gz CZQPWEGILSUYHN-QEOTZNIISA-N 1 3 290.838 3.411 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cccc(F)c1 ZINC001169099096 807576123 /nfs/dbraw/zinc/57/61/23/807576123.db2.gz NDXBELWPQBDHHO-MPESAESLSA-N 1 3 262.372 3.102 20 0 CGADHO COc1ccc(C(C)(C)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169099929 807576781 /nfs/dbraw/zinc/57/67/81/807576781.db2.gz WXAFVWJHUXUNMO-PHZGNYQRSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc(C(C)(C)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169099929 807576787 /nfs/dbraw/zinc/57/67/87/807576787.db2.gz WXAFVWJHUXUNMO-PHZGNYQRSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC001169123848 807586071 /nfs/dbraw/zinc/58/60/71/807586071.db2.gz KVKIHOKUWBMKHH-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO CN(CCC[NH+](C)C)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171032613 807966133 /nfs/dbraw/zinc/96/61/33/807966133.db2.gz HBXJXYWEZADIND-AWEZNQCLSA-N 1 3 280.843 3.081 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2CCC(F)(F)C2)CC1(C)C ZINC001171614334 808105012 /nfs/dbraw/zinc/10/50/12/808105012.db2.gz YARLHWMQVLHEMW-LLVKDONJSA-N 1 3 274.399 3.415 20 0 CGADHO CC1CC(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171614081 808105074 /nfs/dbraw/zinc/10/50/74/808105074.db2.gz VDHQNFSUQKFXSM-UHFFFAOYSA-N 1 3 252.446 3.274 20 0 CGADHO CSC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171639515 808111555 /nfs/dbraw/zinc/11/15/55/808111555.db2.gz NEXWGBGHTICSEO-UHFFFAOYSA-N 1 3 284.513 3.465 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3sccc31)C2 ZINC001172110036 808179309 /nfs/dbraw/zinc/17/93/09/808179309.db2.gz ITTSOTVQVVBEAT-QVHKTLOISA-N 1 3 276.449 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCc3sccc31)C2 ZINC001172110036 808179312 /nfs/dbraw/zinc/17/93/12/808179312.db2.gz ITTSOTVQVVBEAT-QVHKTLOISA-N 1 3 276.449 3.340 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3CCC(CC3)C1)C2 ZINC001172128820 808186822 /nfs/dbraw/zinc/18/68/22/808186822.db2.gz UPPBTGLMXHGWNS-BOXKHOIUSA-N 1 3 262.441 3.124 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123334 808187299 /nfs/dbraw/zinc/18/72/99/808187299.db2.gz CIJBQRIHWHJBHF-BCDXTJNWSA-N 1 3 288.410 3.199 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cc(F)ccc3C1)C2 ZINC001172123334 808187303 /nfs/dbraw/zinc/18/73/03/808187303.db2.gz CIJBQRIHWHJBHF-BCDXTJNWSA-N 1 3 288.410 3.199 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172314836 808225260 /nfs/dbraw/zinc/22/52/60/808225260.db2.gz FFVMKTQUYVFGJT-HOTGVXAUSA-N 1 3 272.477 3.292 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001172339262 808239886 /nfs/dbraw/zinc/23/98/86/808239886.db2.gz GBHUXWQJIPECPV-JONQDZQNSA-N 1 3 270.461 3.043 20 0 CGADHO CC[C@@H](CC(C)C)[NH+]1CCC(N2CCCC2)CC1 ZINC001172398581 808287756 /nfs/dbraw/zinc/28/77/56/808287756.db2.gz GDDMTZDGNLKCGQ-HNNXBMFYSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172570015 808394055 /nfs/dbraw/zinc/39/40/55/808394055.db2.gz CNKBDYURYGGMTE-UWVGGRQHSA-N 1 3 290.785 3.124 20 0 CGADHO CN1CC2(C1)CC[NH+]([C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172569310 808395992 /nfs/dbraw/zinc/39/59/92/808395992.db2.gz RWNUSSFDNZGTEN-MSOLQXFVSA-N 1 3 284.447 3.350 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172823920 808445621 /nfs/dbraw/zinc/44/56/21/808445621.db2.gz MRBKKUXBGBPUCV-GOSISDBHSA-N 1 3 274.452 3.174 20 0 CGADHO CCN(C)C1CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173048672 808500080 /nfs/dbraw/zinc/50/00/80/808500080.db2.gz DSQXGAOMBALUSV-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+](CCCN)C(C)C)cc1 ZINC001173239279 808547401 /nfs/dbraw/zinc/54/74/01/808547401.db2.gz PTKHVWSWOZNHAR-HNNXBMFYSA-N 1 3 262.441 3.239 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+](CCCN)C(C)C)cc1 ZINC001173239279 808547408 /nfs/dbraw/zinc/54/74/08/808547408.db2.gz PTKHVWSWOZNHAR-HNNXBMFYSA-N 1 3 262.441 3.239 20 0 CGADHO CCSC[C@@H](C)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001173293637 808594086 /nfs/dbraw/zinc/59/40/86/808594086.db2.gz CZXNKUONEIOCKD-CQSZACIVSA-N 1 3 278.465 3.078 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCCN(CCc3ccccc3)C2)C1 ZINC001275089163 808905779 /nfs/dbraw/zinc/90/57/79/808905779.db2.gz SKXVJPOLTCUFJY-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCCN(CCc3ccccc3)C2)C1 ZINC001275089163 808905785 /nfs/dbraw/zinc/90/57/85/808905785.db2.gz SKXVJPOLTCUFJY-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(C)s3)(C1)CCC2 ZINC001275863932 808972887 /nfs/dbraw/zinc/97/28/87/808972887.db2.gz IJIZLIIZTYXVCL-LSDHHAIUSA-N 1 3 264.438 3.211 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1coc3ccccc13)C2 ZINC001276124761 808989826 /nfs/dbraw/zinc/98/98/26/808989826.db2.gz IKPJUPGWWBSZGE-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1coc3ccccc13)C2 ZINC001276124761 808989828 /nfs/dbraw/zinc/98/98/28/808989828.db2.gz IKPJUPGWWBSZGE-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO FC(F)(F)CCC[N@@H+]1CC[C@]2(C1)CCCN(C1CC1)C2 ZINC001277921716 809104736 /nfs/dbraw/zinc/10/47/36/809104736.db2.gz FUBDIHTXWVLJRA-AWEZNQCLSA-N 1 3 290.373 3.279 20 0 CGADHO FC(F)(F)CCC[N@H+]1CC[C@]2(C1)CCCN(C1CC1)C2 ZINC001277921716 809104738 /nfs/dbraw/zinc/10/47/38/809104738.db2.gz FUBDIHTXWVLJRA-AWEZNQCLSA-N 1 3 290.373 3.279 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3C)C2)c(C)c1 ZINC001175445099 809409634 /nfs/dbraw/zinc/40/96/34/809409634.db2.gz VNRUBGKGVPEWFA-SJLPKXTDSA-N 1 3 272.436 3.138 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCN3C)C2)c(C)c1 ZINC001175445099 809409639 /nfs/dbraw/zinc/40/96/39/809409639.db2.gz VNRUBGKGVPEWFA-SJLPKXTDSA-N 1 3 272.436 3.138 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@@H]2C1 ZINC001179817923 809948511 /nfs/dbraw/zinc/94/85/11/809948511.db2.gz SJFUIPGSQVUKHU-ZCNNSNEGSA-N 1 3 298.474 3.459 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc2c1CCC2 ZINC001180097127 809974546 /nfs/dbraw/zinc/97/45/46/809974546.db2.gz BKWZZPJPCFOFMY-GOSISDBHSA-N 1 3 286.463 3.482 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc2c1CCC2 ZINC001180097127 809974547 /nfs/dbraw/zinc/97/45/47/809974547.db2.gz BKWZZPJPCFOFMY-GOSISDBHSA-N 1 3 286.463 3.482 20 0 CGADHO CC[NH+]1CCC(CN2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC001180238797 809985867 /nfs/dbraw/zinc/98/58/67/809985867.db2.gz BTANTIUASNRODI-AWEZNQCLSA-N 1 3 290.426 3.477 20 0 CGADHO COCc1ccc(CNCc2cccc(C[NH+](C)C)c2)cc1 ZINC001199219774 811564921 /nfs/dbraw/zinc/56/49/21/811564921.db2.gz OMAUVEFYUHPJNV-UHFFFAOYSA-N 1 3 298.430 3.184 20 0 CGADHO C[N@H+](C1CCOCC1)C1CCN(CC2CCCCC2)CC1 ZINC001201400429 811830252 /nfs/dbraw/zinc/83/02/52/811830252.db2.gz QLXXAMVFMOZXDA-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@@H+](C1CCOCC1)C1CCN(CC2CCCCC2)CC1 ZINC001201400429 811830257 /nfs/dbraw/zinc/83/02/57/811830257.db2.gz QLXXAMVFMOZXDA-UHFFFAOYSA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCc2ccc(Nc3cccc(C[NH+](C)C)c3)cc2C1 ZINC001201403682 811831273 /nfs/dbraw/zinc/83/12/73/811831273.db2.gz QROWBJKJRVWNJU-UHFFFAOYSA-N 1 3 295.430 3.480 20 0 CGADHO CC(C)C[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001201482024 811858586 /nfs/dbraw/zinc/85/85/86/811858586.db2.gz BFMWGGVWHQKRQZ-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)C[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001201482024 811858590 /nfs/dbraw/zinc/85/85/90/811858590.db2.gz BFMWGGVWHQKRQZ-UHFFFAOYSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)=CCC[C@@H](C)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001201497451 811866659 /nfs/dbraw/zinc/86/66/59/811866659.db2.gz WJRWERPFECSEID-MRXNPFEDSA-N 1 3 264.457 3.397 20 0 CGADHO CC(C)=CCC[C@H](C)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001201497449 811866881 /nfs/dbraw/zinc/86/68/81/811866881.db2.gz WJRWERPFECSEID-INIZCTEOSA-N 1 3 264.457 3.397 20 0 CGADHO CSCCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201696212 811939180 /nfs/dbraw/zinc/93/91/80/811939180.db2.gz HNSQMDNHDHTVSU-LSDHHAIUSA-N 1 3 270.486 3.078 20 0 CGADHO CSCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201696212 811939186 /nfs/dbraw/zinc/93/91/86/811939186.db2.gz HNSQMDNHDHTVSU-LSDHHAIUSA-N 1 3 270.486 3.078 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001204110634 812549840 /nfs/dbraw/zinc/54/98/40/812549840.db2.gz GEXBUUBWJWNVOM-ZNMIVQPWSA-N 1 3 272.502 3.371 20 0 CGADHO Clc1csc(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204742250 812723895 /nfs/dbraw/zinc/72/38/95/812723895.db2.gz LFSZUIGVRUHOOG-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@](C)(N)C1 ZINC001204938485 812787136 /nfs/dbraw/zinc/78/71/36/812787136.db2.gz LXDGWNRFPQGVBB-GOSISDBHSA-N 1 3 268.404 3.461 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@](C)(N)C1 ZINC001204938485 812787138 /nfs/dbraw/zinc/78/71/38/812787138.db2.gz LXDGWNRFPQGVBB-GOSISDBHSA-N 1 3 268.404 3.461 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CCCCCc2ccccc2)C1 ZINC001205009255 812823641 /nfs/dbraw/zinc/82/36/41/812823641.db2.gz LEEGEVYQSPYCOS-SFHVURJKSA-N 1 3 274.452 3.331 20 0 CGADHO C[NH2+]C[C@H]1CCCN(Cc2ccc3cccccc2-3)C1 ZINC001205016235 812826608 /nfs/dbraw/zinc/82/66/08/812826608.db2.gz HIGICKNMZSAESC-OAHLLOKOSA-N 1 3 268.404 3.223 20 0 CGADHO CCc1cc(CN2CCC(C[NH3+])CC2)ccc1Cl ZINC001205054173 812841928 /nfs/dbraw/zinc/84/19/28/812841928.db2.gz YQWGBVDJGNFZCN-UHFFFAOYSA-N 1 3 266.816 3.073 20 0 CGADHO C[C@H]1CCN(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC001205304351 812942167 /nfs/dbraw/zinc/94/21/67/812942167.db2.gz OATJGLOZCNYJEY-YJBOKZPZSA-N 1 3 295.430 3.165 20 0 CGADHO CCn1ccc2ccc(CN3CC[C@H](C)[C@H](C[NH3+])C3)cc21 ZINC001205303625 812942674 /nfs/dbraw/zinc/94/26/74/812942674.db2.gz ISYKQICAVKUDSE-WMLDXEAASA-N 1 3 285.435 3.078 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC001205616588 813027092 /nfs/dbraw/zinc/02/70/92/813027092.db2.gz GJCDLWAKGRDBBW-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2ccsc2Cl)CC[C@H]1C[NH3+] ZINC001205638830 813037791 /nfs/dbraw/zinc/03/77/91/813037791.db2.gz SHYILGMECFXDQI-QWRGUYRKSA-N 1 3 272.845 3.208 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCCCc1ccccc1 ZINC001205901706 813122251 /nfs/dbraw/zinc/12/22/51/813122251.db2.gz FNCUKTJYYOKAKY-RDJZCZTQSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCCCc1ccccc1 ZINC001205901706 813122255 /nfs/dbraw/zinc/12/22/55/813122255.db2.gz FNCUKTJYYOKAKY-RDJZCZTQSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1csc2ccccc12 ZINC001205901968 813125115 /nfs/dbraw/zinc/12/51/15/813125115.db2.gz GNFQWYOUSRNUEY-OLZOCXBDSA-N 1 3 274.433 3.461 20 0 CGADHO CC(C)Cc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205916146 813132656 /nfs/dbraw/zinc/13/26/56/813132656.db2.gz SAGYNLYWYUYIKX-YJBOKZPZSA-N 1 3 274.452 3.444 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205916099 813133103 /nfs/dbraw/zinc/13/31/03/813133103.db2.gz RTDOJPXYWJTNPA-WMLDXEAASA-N 1 3 260.425 3.369 20 0 CGADHO C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205993095 813155514 /nfs/dbraw/zinc/15/55/14/813155514.db2.gz GXLQGDPXUYLIOJ-DGCLKSJQSA-N 1 3 284.806 3.286 20 0 CGADHO CN(Cc1cccc(F)c1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001206048914 813180850 /nfs/dbraw/zinc/18/08/50/813180850.db2.gz AINMEVYZKDQUFG-UHFFFAOYSA-N 1 3 284.378 3.103 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2ccccc2-c2cccnc2)CC[C@@H]1F ZINC001206174591 813226036 /nfs/dbraw/zinc/22/60/36/813226036.db2.gz OHTVTRVLTFVUDX-ZWKOTPCHSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1F ZINC001206184284 813230791 /nfs/dbraw/zinc/23/07/91/813230791.db2.gz IDVLZCIKNQVVRO-JKSUJKDBSA-N 1 3 288.366 3.208 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)CC[C@@H]1F ZINC001206184284 813230796 /nfs/dbraw/zinc/23/07/96/813230796.db2.gz IDVLZCIKNQVVRO-JKSUJKDBSA-N 1 3 288.366 3.208 20 0 CGADHO N[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200978 813238277 /nfs/dbraw/zinc/23/82/77/813238277.db2.gz UWDDJFQSBQQPSL-IRXDYDNUSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200978 813238282 /nfs/dbraw/zinc/23/82/82/813238282.db2.gz UWDDJFQSBQQPSL-IRXDYDNUSA-N 1 3 299.393 3.010 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@@](C)(C[NH3+])CC2)c1F ZINC001206304728 813281741 /nfs/dbraw/zinc/28/17/41/813281741.db2.gz OSLBRCBZECSKLK-MRXNPFEDSA-N 1 3 282.378 3.224 20 0 CGADHO COc1cc(C)c(CN2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206541004 813343522 /nfs/dbraw/zinc/34/35/22/813343522.db2.gz FEBYBAMIQIQSAV-GOSISDBHSA-N 1 3 290.451 3.263 20 0 CGADHO Cc1ccc(CN2CCCC[C@@](C)(C[NH3+])C2)s1 ZINC001206541404 813345077 /nfs/dbraw/zinc/34/50/77/813345077.db2.gz HFGIDQMEAXQGKB-AWEZNQCLSA-N 1 3 252.427 3.007 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2nccc3ccccc32)C1 ZINC001206563308 813354345 /nfs/dbraw/zinc/35/43/45/813354345.db2.gz BUIBVXYEJPCCDU-GOSISDBHSA-N 1 3 283.419 3.186 20 0 CGADHO CCOc1ccc(C)c(CN2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572092 813358060 /nfs/dbraw/zinc/35/80/60/813358060.db2.gz AQVIPECUWBXUGU-SFHVURJKSA-N 1 3 290.451 3.345 20 0 CGADHO CC(C)[N@H+](CC1Cc2ccccc2C1)[C@H]1CCCNCC1 ZINC001206583378 813363829 /nfs/dbraw/zinc/36/38/29/813363829.db2.gz UFDSQRZCMSRLBW-IBGZPJMESA-N 1 3 286.463 3.254 20 0 CGADHO CC(C)[N@@H+](CC1Cc2ccccc2C1)[C@H]1CCCNCC1 ZINC001206583378 813363836 /nfs/dbraw/zinc/36/38/36/813363836.db2.gz UFDSQRZCMSRLBW-IBGZPJMESA-N 1 3 286.463 3.254 20 0 CGADHO CCCCOc1cccc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC001206617014 813376620 /nfs/dbraw/zinc/37/66/20/813376620.db2.gz XTNQKJDCEFYVFX-QGZVFWFLSA-N 1 3 290.451 3.426 20 0 CGADHO CCc1cc(CN2CCCC[C@H](C[NH3+])C2)cc(CC)c1O ZINC001206632301 813381152 /nfs/dbraw/zinc/38/11/52/813381152.db2.gz IVWXVVIULSRAKI-CQSZACIVSA-N 1 3 290.451 3.078 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001206761471 813427941 /nfs/dbraw/zinc/42/79/41/813427941.db2.gz ZAYDPCXHSVSRTQ-HZPDHXFCSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCC(C)(C)c1ccccc1 ZINC001206761471 813427943 /nfs/dbraw/zinc/42/79/43/813427943.db2.gz ZAYDPCXHSVSRTQ-HZPDHXFCSA-N 1 3 274.452 3.414 20 0 CGADHO CCCc1ccc(CN2C[C@@H](C[NH3+])CC[C@H]2C)s1 ZINC001206769681 813431949 /nfs/dbraw/zinc/43/19/49/813431949.db2.gz PGCXDHSPFOICCQ-CHWSQXEVSA-N 1 3 266.454 3.260 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CCC(c2ccc(O)cc2)CC1 ZINC001207288429 813535437 /nfs/dbraw/zinc/53/54/37/813535437.db2.gz NUXFFGJWYZUABW-UHFFFAOYSA-N 1 3 290.451 3.159 20 0 CGADHO COc1cccc([C@@H]2CCN(CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207287792 813536477 /nfs/dbraw/zinc/53/64/77/813536477.db2.gz FKNCEOZODHEMRK-MRXNPFEDSA-N 1 3 290.451 3.072 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001208167075 813720484 /nfs/dbraw/zinc/72/04/84/813720484.db2.gz ZETCNQBCOGXRDO-DLBZAZTESA-N 1 3 285.435 3.196 20 0 CGADHO CC1=C[C@@H](C)[C@H](C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001208167078 813721296 /nfs/dbraw/zinc/72/12/96/813721296.db2.gz ZETCNQBCOGXRDO-SJORKVTESA-N 1 3 285.435 3.196 20 0 CGADHO CN(C)CC1(C[NH+]2CC(c3ccccc3)C2)CCCC1 ZINC001208185642 813735214 /nfs/dbraw/zinc/73/52/14/813735214.db2.gz HCTXNNUNGDIMMJ-UHFFFAOYSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H](CCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1)CC(C)(C)C ZINC001208662672 813784545 /nfs/dbraw/zinc/78/45/45/813784545.db2.gz CWHAVMSTCVSVAC-BFYDXBDKSA-N 1 3 266.473 3.332 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001208688083 813797033 /nfs/dbraw/zinc/79/70/33/813797033.db2.gz KBLNXFHAJWQRAL-JKSUJKDBSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001208688083 813797036 /nfs/dbraw/zinc/79/70/36/813797036.db2.gz KBLNXFHAJWQRAL-JKSUJKDBSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209422846 814023968 /nfs/dbraw/zinc/02/39/68/814023968.db2.gz YUINEPFXBXHUJL-CRAIPNDOSA-N 1 3 284.447 3.165 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422846 814023969 /nfs/dbraw/zinc/02/39/69/814023969.db2.gz YUINEPFXBXHUJL-CRAIPNDOSA-N 1 3 284.447 3.165 20 0 CGADHO C[C@H]1C[C@@H]1C[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429206 814030441 /nfs/dbraw/zinc/03/04/41/814030441.db2.gz VRXPEAFUEATVII-LSDHHAIUSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@H]1C[C@@H]1C[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429206 814030449 /nfs/dbraw/zinc/03/04/49/814030449.db2.gz VRXPEAFUEATVII-LSDHHAIUSA-N 1 3 264.457 3.371 20 0 CGADHO FC1(F)CC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209449339 814047996 /nfs/dbraw/zinc/04/79/96/814047996.db2.gz GGDFEVIZYJNZCV-UHFFFAOYSA-N 1 3 286.410 3.374 20 0 CGADHO Cc1ccc(C[N@@H+]2CCN[C@@H](C)CC2)c2ccccc12 ZINC001210474224 814477989 /nfs/dbraw/zinc/47/79/89/814477989.db2.gz DZPJUQSRGVDNBW-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO Cc1ccc(C[N@H+]2CCN[C@@H](C)CC2)c2ccccc12 ZINC001210474224 814477990 /nfs/dbraw/zinc/47/79/90/814477990.db2.gz DZPJUQSRGVDNBW-HNNXBMFYSA-N 1 3 268.404 3.332 20 0 CGADHO C[NH2+]Cc1ccc(Nc2ccc3c(c2)CN(C)CC3)cc1 ZINC001211135628 814758782 /nfs/dbraw/zinc/75/87/82/814758782.db2.gz YDCJVEXBQOBANC-UHFFFAOYSA-N 1 3 281.403 3.138 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148440 816359503 /nfs/dbraw/zinc/35/95/03/816359503.db2.gz OWXCERWMMFRRMS-SFHVURJKSA-N 1 3 272.436 3.386 20 0 CGADHO c1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c2cccccc1-2 ZINC001222154423 816363172 /nfs/dbraw/zinc/36/31/72/816363172.db2.gz LODQRUKKEJBIDF-IBGZPJMESA-N 1 3 280.415 3.367 20 0 CGADHO Clc1cccc(CCN2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222307765 816403586 /nfs/dbraw/zinc/40/35/86/816403586.db2.gz BFIHJMLLNLHJHI-QGZVFWFLSA-N 1 3 292.854 3.491 20 0 CGADHO Cc1cccc(CN2CCC(F)(C[NH3+])CC2)c1OC(C)C ZINC001222542912 816465489 /nfs/dbraw/zinc/46/54/89/816465489.db2.gz MRMJLPSDYGRJII-UHFFFAOYSA-N 1 3 294.414 3.045 20 0 CGADHO Cc1ccsc1C[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595724 816474134 /nfs/dbraw/zinc/47/41/34/816474134.db2.gz HRUQXAHCWULMCP-MRXNPFEDSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1ccsc1C[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595724 816474137 /nfs/dbraw/zinc/47/41/37/816474137.db2.gz HRUQXAHCWULMCP-MRXNPFEDSA-N 1 3 298.455 3.246 20 0 CGADHO CCCCCCN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222596101 816475334 /nfs/dbraw/zinc/47/53/34/816475334.db2.gz PWGQACMUUXUXRK-QGZVFWFLSA-N 1 3 272.436 3.256 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3-n3cccc3)C2)C1 ZINC001232912809 818474265 /nfs/dbraw/zinc/47/42/65/818474265.db2.gz VELWGKRFOPKXIC-LJQANCHMSA-N 1 3 295.430 3.005 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3-n3cccc3)C2)C1 ZINC001232912809 818474269 /nfs/dbraw/zinc/47/42/69/818474269.db2.gz VELWGKRFOPKXIC-LJQANCHMSA-N 1 3 295.430 3.005 20 0 CGADHO c1ccc(CCCCCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234993024 818970022 /nfs/dbraw/zinc/97/00/22/818970022.db2.gz OEQISIZUCLXKHC-IBGZPJMESA-N 1 3 286.463 3.475 20 0 CGADHO C[C@@H](CCN1CCC12CC[NH2+]CC2)CC(C)(C)C ZINC001235103037 819003027 /nfs/dbraw/zinc/00/30/27/819003027.db2.gz QGVAZVOYPCXBTB-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](CC[N@@H+]1CCC12CCNCC2)CC(C)(C)C ZINC001235103037 819003029 /nfs/dbraw/zinc/00/30/29/819003029.db2.gz QGVAZVOYPCXBTB-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](CC[N@H+]1CCC12CCNCC2)CC(C)(C)C ZINC001235103037 819003032 /nfs/dbraw/zinc/00/30/32/819003032.db2.gz QGVAZVOYPCXBTB-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCCC23CCNCC3)c(C)c1 ZINC001235140204 819015754 /nfs/dbraw/zinc/01/57/54/819015754.db2.gz GLFLIKXXERDDJB-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO CCOc1ccc(C[N@H+]2CCCC23CCNCC3)c(C)c1 ZINC001235140204 819015758 /nfs/dbraw/zinc/01/57/58/819015758.db2.gz GLFLIKXXERDDJB-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO CCOc1ccc(CN2CCCC23CC[NH2+]CC3)c(C)c1 ZINC001235140204 819015762 /nfs/dbraw/zinc/01/57/62/819015762.db2.gz GLFLIKXXERDDJB-UHFFFAOYSA-N 1 3 288.435 3.112 20 0 CGADHO Cc1cccc(F)c1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237448 819043015 /nfs/dbraw/zinc/04/30/15/819043015.db2.gz BNQOGSWZFBQILP-GOSISDBHSA-N 1 3 290.426 3.488 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239249 819044572 /nfs/dbraw/zinc/04/45/72/819044572.db2.gz GHBDZMNCQPERTL-LZLYRXPVSA-N 1 3 296.499 3.421 20 0 CGADHO CC(C)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001235246521 819046657 /nfs/dbraw/zinc/04/66/57/819046657.db2.gz YQNXYQBTXJHNEE-NVXWUHKLSA-N 1 3 258.409 3.123 20 0 CGADHO CC(C)c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001235246521 819046661 /nfs/dbraw/zinc/04/66/61/819046661.db2.gz YQNXYQBTXJHNEE-NVXWUHKLSA-N 1 3 258.409 3.123 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@H+](CCC2CC2)CC3)cc1 ZINC001235365273 819079306 /nfs/dbraw/zinc/07/93/06/819079306.db2.gz NLFXUVDTFJZOLW-OALUTQOASA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@@H+](CCC2CC2)CC3)cc1 ZINC001235365273 819079312 /nfs/dbraw/zinc/07/93/12/819079312.db2.gz NLFXUVDTFJZOLW-OALUTQOASA-N 1 3 284.447 3.040 20 0 CGADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)o1 ZINC001235403617 819086072 /nfs/dbraw/zinc/08/60/72/819086072.db2.gz LJUFWLFFFDICGS-XYPHTWIQSA-N 1 3 294.414 3.105 20 0 CGADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)o1 ZINC001235403617 819086076 /nfs/dbraw/zinc/08/60/76/819086076.db2.gz LJUFWLFFFDICGS-XYPHTWIQSA-N 1 3 294.414 3.105 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407692 819088211 /nfs/dbraw/zinc/08/82/11/819088211.db2.gz SWRBFEGFCRDPPA-RBUKOAKNSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407692 819088218 /nfs/dbraw/zinc/08/82/18/819088218.db2.gz SWRBFEGFCRDPPA-RBUKOAKNSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407695 819088547 /nfs/dbraw/zinc/08/85/47/819088547.db2.gz SWRBFEGFCRDPPA-RTBURBONSA-N 1 3 298.405 3.363 20 0 CGADHO F[C@@H]1CCNC[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235407695 819088551 /nfs/dbraw/zinc/08/85/51/819088551.db2.gz SWRBFEGFCRDPPA-RTBURBONSA-N 1 3 298.405 3.363 20 0 CGADHO C[Si](C)(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC001235824869 819176761 /nfs/dbraw/zinc/17/67/61/819176761.db2.gz CPQFLJJKIJLYPH-QGZVFWFLSA-N 1 3 290.527 3.366 20 0 CGADHO C[Si](C)(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCNC1 ZINC001235824869 819176767 /nfs/dbraw/zinc/17/67/67/819176767.db2.gz CPQFLJJKIJLYPH-QGZVFWFLSA-N 1 3 290.527 3.366 20 0 CGADHO CN(CC(c1ccccc1)c1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235841386 819183676 /nfs/dbraw/zinc/18/36/76/819183676.db2.gz FEOZQXVSBSCZJG-KRWDZBQOSA-N 1 3 294.442 3.360 20 0 CGADHO Fc1cccc([C@H]2CC[N@H+](Cc3ccc4c(c3)CNC4)C2)c1 ZINC001235934248 819230666 /nfs/dbraw/zinc/23/06/66/819230666.db2.gz KTFBMOLYMVPBNF-KRWDZBQOSA-N 1 3 296.389 3.418 20 0 CGADHO Fc1cccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)CNC4)C2)c1 ZINC001235934248 819230673 /nfs/dbraw/zinc/23/06/73/819230673.db2.gz KTFBMOLYMVPBNF-KRWDZBQOSA-N 1 3 296.389 3.418 20 0 CGADHO Cc1sc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959196 819247335 /nfs/dbraw/zinc/24/73/35/819247335.db2.gz HNMNDVGQSBALNO-FVCICTRLSA-N 1 3 286.444 3.379 20 0 CGADHO C[C@H]1C[C@H](N)C[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236044980 819281966 /nfs/dbraw/zinc/28/19/66/819281966.db2.gz QVGUGYXDLJKLSG-WMZOPIPTSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@H]1C[C@H](N)C[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236044980 819281973 /nfs/dbraw/zinc/28/19/73/819281973.db2.gz QVGUGYXDLJKLSG-WMZOPIPTSA-N 1 3 290.451 3.043 20 0 CGADHO CCN(Cc1cccs1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236088758 819309657 /nfs/dbraw/zinc/30/96/57/819309657.db2.gz IYGCNZOALOXPDD-UHFFFAOYSA-N 1 3 286.444 3.416 20 0 CGADHO CCC[N@H+](Cc1cn(C)c2ccccc12)C1CCNCC1 ZINC001236180151 819358407 /nfs/dbraw/zinc/35/84/07/819358407.db2.gz BMOROINPHZYNKC-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO CCC[N@@H+](Cc1cn(C)c2ccccc12)C1CCNCC1 ZINC001236180151 819358415 /nfs/dbraw/zinc/35/84/15/819358415.db2.gz BMOROINPHZYNKC-UHFFFAOYSA-N 1 3 285.435 3.142 20 0 CGADHO C[N@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@H]1N ZINC001236211810 819374401 /nfs/dbraw/zinc/37/44/01/819374401.db2.gz JJSKJNIZDKCORF-HUUCEWRRSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@H]1N ZINC001236211810 819374407 /nfs/dbraw/zinc/37/44/07/819374407.db2.gz JJSKJNIZDKCORF-HUUCEWRRSA-N 1 3 275.371 3.009 20 0 CGADHO CN(Cc1cc2ccccc2s1)C1(C)CC[NH2+]CC1 ZINC001236225654 819391807 /nfs/dbraw/zinc/39/18/07/819391807.db2.gz AFJVOEUJBWIFKE-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO [NH3+]Cc1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cn1 ZINC001236248721 819405194 /nfs/dbraw/zinc/40/51/94/819405194.db2.gz KIVSXVXJNFOUSM-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO NCc1ccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)cn1 ZINC001236248721 819405199 /nfs/dbraw/zinc/40/51/99/819405199.db2.gz KIVSXVXJNFOUSM-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414645 819459948 /nfs/dbraw/zinc/45/99/48/819459948.db2.gz LOUGRWIIUVDVJE-SJLPKXTDSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414645 819459951 /nfs/dbraw/zinc/45/99/51/819459951.db2.gz LOUGRWIIUVDVJE-SJLPKXTDSA-N 1 3 290.451 3.185 20 0 CGADHO Cc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1O ZINC001236459779 819486046 /nfs/dbraw/zinc/48/60/46/819486046.db2.gz YWZWGYLXYCKNSR-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO Cc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1O ZINC001236459779 819486049 /nfs/dbraw/zinc/48/60/49/819486049.db2.gz YWZWGYLXYCKNSR-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@](C)(CN)C1 ZINC001236606044 819550660 /nfs/dbraw/zinc/55/06/60/819550660.db2.gz YQEPQDAZKKADIK-SFHVURJKSA-N 1 3 268.404 3.319 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)(CN)C1 ZINC001236606044 819550665 /nfs/dbraw/zinc/55/06/65/819550665.db2.gz YQEPQDAZKKADIK-SFHVURJKSA-N 1 3 268.404 3.319 20 0 CGADHO CCCN(Cc1coc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236836255 819615423 /nfs/dbraw/zinc/61/54/23/819615423.db2.gz UELAYDHHAQVSSF-CQSZACIVSA-N 1 3 272.392 3.254 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001237193427 819694868 /nfs/dbraw/zinc/69/48/68/819694868.db2.gz OXYVDZOZLBKBFE-IBGZPJMESA-N 1 3 280.415 3.319 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(Cc3ccc4cccccc3-4)C2)C1 ZINC001237193427 819694871 /nfs/dbraw/zinc/69/48/71/819694871.db2.gz OXYVDZOZLBKBFE-IBGZPJMESA-N 1 3 280.415 3.319 20 0 CGADHO Cc1cc(F)cc(Cl)c1CN1CCC2(CC[C@@H]2[NH3+])CC1 ZINC001237359541 819735523 /nfs/dbraw/zinc/73/55/23/819735523.db2.gz PEWIGWBGUIHJJI-HNNXBMFYSA-N 1 3 296.817 3.491 20 0 CGADHO COc1ccc(C2=CC[NH2+]CC2)cc1CN1CCCCC1 ZINC001240471116 821077399 /nfs/dbraw/zinc/07/73/99/821077399.db2.gz VGGLMKNETOFOMC-UHFFFAOYSA-N 1 3 286.419 3.058 20 0 CGADHO CCN(CC)Cc1ccc(C2=CC[N@H+](C)CC2)cc1F ZINC001241331813 821737693 /nfs/dbraw/zinc/73/76/93/821737693.db2.gz DZVNLFKKOCMNTG-UHFFFAOYSA-N 1 3 276.399 3.386 20 0 CGADHO CCN(CC)Cc1ccc(C2=CC[N@@H+](C)CC2)cc1F ZINC001241331813 821737697 /nfs/dbraw/zinc/73/76/97/821737697.db2.gz DZVNLFKKOCMNTG-UHFFFAOYSA-N 1 3 276.399 3.386 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001459925748 937506891 /nfs/dbraw/zinc/50/68/91/937506891.db2.gz SRXBHPAGBDNSQW-YYIAUSFCSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001460303715 937525481 /nfs/dbraw/zinc/52/54/81/937525481.db2.gz GKCSOEUQUYDJDV-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO CC(C)(C)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC001460303715 937525484 /nfs/dbraw/zinc/52/54/84/937525484.db2.gz GKCSOEUQUYDJDV-UHFFFAOYSA-N 1 3 261.413 3.030 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCCF)CC1 ZINC001460628555 937537825 /nfs/dbraw/zinc/53/78/25/937537825.db2.gz WIYHRGFHKDPUQQ-MRXNPFEDSA-N 1 3 270.436 3.323 20 0 CGADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCCF)CC1 ZINC001460628555 937537827 /nfs/dbraw/zinc/53/78/27/937537827.db2.gz WIYHRGFHKDPUQQ-MRXNPFEDSA-N 1 3 270.436 3.323 20 0 CGADHO CC1CC[NH+](CC[C@H]2CCCN2CCCCF)CC1 ZINC001460628555 937537828 /nfs/dbraw/zinc/53/78/28/937537828.db2.gz WIYHRGFHKDPUQQ-MRXNPFEDSA-N 1 3 270.436 3.323 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001462199344 937624474 /nfs/dbraw/zinc/62/44/74/937624474.db2.gz HLQPZDPHFNENJV-MLGOLLRUSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001462199344 937624476 /nfs/dbraw/zinc/62/44/76/937624476.db2.gz HLQPZDPHFNENJV-MLGOLLRUSA-N 1 3 280.843 3.420 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC001308417929 933109183 /nfs/dbraw/zinc/10/91/83/933109183.db2.gz HQAZNEHXDFSXKI-ARFHVFGLSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308554332 933131940 /nfs/dbraw/zinc/13/19/40/933131940.db2.gz OGWOHJQVQZEZOB-NXWXRZEISA-N 1 3 286.463 3.185 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308983461 933221640 /nfs/dbraw/zinc/22/16/40/933221640.db2.gz DSHRVTSUNMJJTN-UVPYHEFZSA-N 1 3 252.446 3.131 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC001322474267 934303880 /nfs/dbraw/zinc/30/38/80/934303880.db2.gz CJWQXROJHRHKSE-CRAIPNDOSA-N 1 3 287.451 3.244 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H](c2cccnc2)C2CCC2)C1 ZINC001322474267 934303890 /nfs/dbraw/zinc/30/38/90/934303890.db2.gz CJWQXROJHRHKSE-CRAIPNDOSA-N 1 3 287.451 3.244 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccsc2)C1 ZINC001322634372 934324102 /nfs/dbraw/zinc/32/41/02/934324102.db2.gz TVXSVWRLYLEUOI-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485287 934401191 /nfs/dbraw/zinc/40/11/91/934401191.db2.gz GMMMMKWQTWWGID-DYVFJYSZSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCc2c1cccc2F ZINC001323485287 934401194 /nfs/dbraw/zinc/40/11/94/934401194.db2.gz GMMMMKWQTWWGID-DYVFJYSZSA-N 1 3 276.399 3.087 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCN1CCCC1 ZINC001326283544 934966402 /nfs/dbraw/zinc/96/64/02/934966402.db2.gz OYANRKXNFYISCV-CQSZACIVSA-N 1 3 264.388 3.271 20 0 CGADHO C[C@](CN)([NH2+]Cc1cnc(-c2ccccc2)s1)C1CC1 ZINC001326694692 934998697 /nfs/dbraw/zinc/99/86/97/934998697.db2.gz WWICGQWETRRUPB-MRXNPFEDSA-N 1 3 287.432 3.027 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H](C)C[N@H+](C)C(C)C ZINC001330039304 935263258 /nfs/dbraw/zinc/26/32/58/935263258.db2.gz CFWADKPSSDDIQG-CQSZACIVSA-N 1 3 271.408 3.106 20 0 CGADHO Cc1cnc2ccccc2c1N[C@H](C)C[N@@H+](C)C(C)C ZINC001330039304 935263260 /nfs/dbraw/zinc/26/32/60/935263260.db2.gz CFWADKPSSDDIQG-CQSZACIVSA-N 1 3 271.408 3.106 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001331565838 935394346 /nfs/dbraw/zinc/39/43/46/935394346.db2.gz PBUGXJUBTMDHRS-HZPDHXFCSA-N 1 3 294.483 3.046 20 0 CGADHO Oc1ccc(Cl)c(CN2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001331753226 935407686 /nfs/dbraw/zinc/40/76/86/935407686.db2.gz CDDIOLYADOBXAU-UHFFFAOYSA-N 1 3 294.826 3.011 20 0 CGADHO C[C@@H](C[NH2+]CCCC(F)(F)F)CN1CCCCC1 ZINC001333657235 935557286 /nfs/dbraw/zinc/55/72/86/935557286.db2.gz APZRRWPKKGSBHF-LBPRGKRZSA-N 1 3 266.351 3.041 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1(C)C ZINC001474499160 937863189 /nfs/dbraw/zinc/86/31/89/937863189.db2.gz LWTOSNNVOMCIBI-BRWVUGGUSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001549042190 938154596 /nfs/dbraw/zinc/15/45/96/938154596.db2.gz XBLBDGWJVASZCX-SPUZQDLCSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC001549545577 938157739 /nfs/dbraw/zinc/15/77/39/938157739.db2.gz GMOYXQREXOEIBO-OAGGEKHMSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238472 938178451 /nfs/dbraw/zinc/17/84/51/938178451.db2.gz WAPGAOSKMCVXQO-SAGYGOJTSA-N 1 3 294.483 3.044 20 0 CGADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC001551376928 938180449 /nfs/dbraw/zinc/18/04/49/938180449.db2.gz AEVPTQIFQLLPIT-DHSIGJKJSA-N 1 3 288.435 3.050 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001553291533 938197876 /nfs/dbraw/zinc/19/78/76/938197876.db2.gz NHZUDGDSLHUORZ-PVAVHDDUSA-N 1 3 272.436 3.219 20 0 CGADHO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCN1CCCCC1 ZINC001560251804 938249474 /nfs/dbraw/zinc/24/94/74/938249474.db2.gz BCPJRXQJQDQMGP-IAGOWNOFSA-N 1 3 264.457 3.444 20 0 CGADHO CCOc1ccc(Cl)cc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC001560361056 938255104 /nfs/dbraw/zinc/25/51/04/938255104.db2.gz HSABEIXKOSUJNA-WFASDCNBSA-N 1 3 296.842 3.311 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814087 938277770 /nfs/dbraw/zinc/27/77/70/938277770.db2.gz OXFAAXIKYQHVBB-IEBWSBKVSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814087 938277771 /nfs/dbraw/zinc/27/77/71/938277771.db2.gz OXFAAXIKYQHVBB-IEBWSBKVSA-N 1 3 284.447 3.091 20 0 CGADHO C[C@@H](N)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001576158707 960478891 /nfs/dbraw/zinc/47/88/91/960478891.db2.gz IDYKXROEJCPGHE-SNVBAGLBSA-N 1 3 272.314 3.021 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(CCc2ccc(F)c(F)c2)C1 ZINC001575115303 962337845 /nfs/dbraw/zinc/33/78/45/962337845.db2.gz FEVOOBSLWXUJFF-KRWDZBQOSA-N 1 3 296.405 3.204 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC001575566552 962404474 /nfs/dbraw/zinc/40/44/74/962404474.db2.gz YKQUJGWRHQMNQM-OAGGEKHMSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576065709 962428084 /nfs/dbraw/zinc/42/80/84/962428084.db2.gz HIHYMQDSSYZVAA-HFBAOOFYSA-N 1 3 272.392 3.079 20 0 CGADHO C[C@@]1(CN)CC[N@H+](CCCCc2cccc(Cl)c2)C1 ZINC001576503384 962466856 /nfs/dbraw/zinc/46/68/56/962466856.db2.gz RNGIQBDUKLUCQV-INIZCTEOSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC001576503384 962466863 /nfs/dbraw/zinc/46/68/63/962466863.db2.gz RNGIQBDUKLUCQV-INIZCTEOSA-N 1 3 280.843 3.333 20 0 CGADHO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254542 962514866 /nfs/dbraw/zinc/51/48/66/962514866.db2.gz LVKLDSXJFNGGMJ-GXTWGEPZSA-N 1 3 279.428 3.269 20 0 CGADHO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C(C)(C)N)no1 ZINC001577254542 962514875 /nfs/dbraw/zinc/51/48/75/962514875.db2.gz LVKLDSXJFNGGMJ-GXTWGEPZSA-N 1 3 279.428 3.269 20 0 CGADHO C[NH2+]C[C@H]1CCN(C[C@@H](C)CSc2ccccc2C)C1 ZINC001578664452 962594070 /nfs/dbraw/zinc/59/40/70/962594070.db2.gz YOYQOIOMCZQRCW-GDBMZVCRSA-N 1 3 292.492 3.265 20 0 CGADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CCCC[C@@]3(CN)C2)cc1C ZINC001579688175 962651953 /nfs/dbraw/zinc/65/19/53/962651953.db2.gz UKSIMFUORCJSKL-RBUKOAKNSA-N 1 3 286.463 3.297 20 0 CGADHO Cc1ccc(CC[N@H+]2C[C@@H]3CCCC[C@@]3(CN)C2)cc1C ZINC001579688175 962651970 /nfs/dbraw/zinc/65/19/70/962651970.db2.gz UKSIMFUORCJSKL-RBUKOAKNSA-N 1 3 286.463 3.297 20 0 CGADHO Cc1cccc2[nH]c(CN[C@@H]3CC[NH2+]CC(C)(C)C3)cc21 ZINC001579776810 962674308 /nfs/dbraw/zinc/67/43/08/962674308.db2.gz RVYBDOJSFMSCQR-CQSZACIVSA-N 1 3 285.435 3.344 20 0 CGADHO N[C@@H](CC[NH2+]CC1CCCCC1)Cc1ccccc1 ZINC001580128718 962700320 /nfs/dbraw/zinc/70/03/20/962700320.db2.gz ZVYAOVDKPMEZQR-KRWDZBQOSA-N 1 3 260.425 3.116 20 0 CGADHO c1cc2c(o1)CCC[C@H]2NCc1cc2c(s1)CC[NH2+]C2 ZINC001580889556 962742841 /nfs/dbraw/zinc/74/28/41/962742841.db2.gz CKWJFNNZKDEIRN-CQSZACIVSA-N 1 3 288.416 3.154 20 0 CGADHO C[C@@]1(C[NH3+])CCN(CCCSc2ccccc2Cl)C1 ZINC000337740235 214241759 /nfs/dbraw/zinc/24/17/59/214241759.db2.gz CMOTZQNHQICZFD-HNNXBMFYSA-N 1 3 298.883 3.493 20 0 CGADHO C[C@@]1(CN)CC[N@H+](CCCSc2ccccc2Cl)C1 ZINC000337740235 214241762 /nfs/dbraw/zinc/24/17/62/214241762.db2.gz CMOTZQNHQICZFD-HNNXBMFYSA-N 1 3 298.883 3.493 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](CCCSc2ccccc2Cl)C1 ZINC000337740235 214241765 /nfs/dbraw/zinc/24/17/65/214241765.db2.gz CMOTZQNHQICZFD-HNNXBMFYSA-N 1 3 298.883 3.493 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000651808426 398290856 /nfs/dbraw/zinc/29/08/56/398290856.db2.gz QRCQGEPDDQQFLW-BZUAXINKSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H](C)Cc1cccs1 ZINC000651866040 398298653 /nfs/dbraw/zinc/29/86/53/398298653.db2.gz RPKUTTYGKOXOTO-CQSZACIVSA-N 1 3 268.470 3.247 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H](C)Cc1cccs1 ZINC000651866040 398298654 /nfs/dbraw/zinc/29/86/54/398298654.db2.gz RPKUTTYGKOXOTO-CQSZACIVSA-N 1 3 268.470 3.247 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273122736 192050073 /nfs/dbraw/zinc/05/00/73/192050073.db2.gz YIAUSRAIHPPPQL-AWEZNQCLSA-N 1 3 276.424 3.139 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466419 529453246 /nfs/dbraw/zinc/45/32/46/529453246.db2.gz NMNSYQVNHOVTLZ-LRDDRELGSA-N 1 3 272.392 3.236 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142531 192056561 /nfs/dbraw/zinc/05/65/61/192056561.db2.gz FHEAETDQJVKMCW-JKSUJKDBSA-N 1 3 290.451 3.304 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142531 192056562 /nfs/dbraw/zinc/05/65/62/192056562.db2.gz FHEAETDQJVKMCW-JKSUJKDBSA-N 1 3 290.451 3.304 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)C1 ZINC000273142531 192056564 /nfs/dbraw/zinc/05/65/64/192056564.db2.gz FHEAETDQJVKMCW-JKSUJKDBSA-N 1 3 290.451 3.304 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000423457042 529567584 /nfs/dbraw/zinc/56/75/84/529567584.db2.gz FEKKFFQKRMNOIA-OLZOCXBDSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCC1)c1cccc(Cl)c1 ZINC000423337347 529591894 /nfs/dbraw/zinc/59/18/94/529591894.db2.gz VHOPUQAIBPYJOQ-ZDUSSCGKSA-N 1 3 252.789 3.262 20 0 CGADHO CC[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1OC ZINC000414172522 529605512 /nfs/dbraw/zinc/60/55/12/529605512.db2.gz FJYGDUYSPAOEAU-RDJZCZTQSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OC ZINC000414172522 529605515 /nfs/dbraw/zinc/60/55/15/529605515.db2.gz FJYGDUYSPAOEAU-RDJZCZTQSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423312883 529611214 /nfs/dbraw/zinc/61/12/14/529611214.db2.gz DYMZQYQYXGKOJL-KGLIPLIRSA-N 1 3 252.789 3.118 20 0 CGADHO CCc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422751517 529630069 /nfs/dbraw/zinc/63/00/69/529630069.db2.gz GCRKTTKLEIKJBG-CQSZACIVSA-N 1 3 297.446 3.304 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000623358622 349788453 /nfs/dbraw/zinc/78/84/53/349788453.db2.gz JGZSWDAZAFZJMK-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccn1 ZINC000623358622 349788454 /nfs/dbraw/zinc/78/84/54/349788454.db2.gz JGZSWDAZAFZJMK-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO C[C@H](COc1cccc(F)c1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371578 349792362 /nfs/dbraw/zinc/79/23/62/349792362.db2.gz JXNBNHFOXDJAKM-HIFRSBDPSA-N 1 3 294.414 3.055 20 0 CGADHO C[C@H](COc1cccc(F)c1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371578 349792364 /nfs/dbraw/zinc/79/23/64/349792364.db2.gz JXNBNHFOXDJAKM-HIFRSBDPSA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000423283835 529655684 /nfs/dbraw/zinc/65/56/84/529655684.db2.gz WJMXKTCVJDAQMO-HYVNUMGLSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1cccc(OC)c1 ZINC000423283835 529655686 /nfs/dbraw/zinc/65/56/86/529655686.db2.gz WJMXKTCVJDAQMO-HYVNUMGLSA-N 1 3 276.424 3.253 20 0 CGADHO CN(C)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000262379401 282250168 /nfs/dbraw/zinc/25/01/68/282250168.db2.gz YMFLOLXTOMQGTI-CEXWTWQISA-N 1 3 295.430 3.024 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623432498 349808240 /nfs/dbraw/zinc/80/82/40/349808240.db2.gz VASNTQRLUVMSQL-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(O[C@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432498 349808243 /nfs/dbraw/zinc/80/82/43/349808243.db2.gz VASNTQRLUVMSQL-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO c1[nH]nc2cccc(C[NH2+]C3CCN(C4CCCC4)CC3)c12 ZINC000623440045 349810676 /nfs/dbraw/zinc/81/06/76/349810676.db2.gz GZZYTZRXUOGWOY-UHFFFAOYSA-N 1 3 298.434 3.060 20 0 CGADHO CO[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573521 349839006 /nfs/dbraw/zinc/83/90/06/349839006.db2.gz LSAIJGBJLMCUTE-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623573521 349839008 /nfs/dbraw/zinc/83/90/08/349839008.db2.gz LSAIJGBJLMCUTE-HZPDHXFCSA-N 1 3 282.472 3.044 20 0 CGADHO FC(F)(F)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000623787815 349884403 /nfs/dbraw/zinc/88/44/03/349884403.db2.gz AQHSXCUIRNYFEW-QWHCGFSZSA-N 1 3 290.373 3.326 20 0 CGADHO FC(F)(F)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000623787815 349884405 /nfs/dbraw/zinc/88/44/05/349884405.db2.gz AQHSXCUIRNYFEW-QWHCGFSZSA-N 1 3 290.373 3.326 20 0 CGADHO C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCCCO1 ZINC000623855683 349897057 /nfs/dbraw/zinc/89/70/57/349897057.db2.gz FQYLFOWJZRKZQX-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCCO1 ZINC000623855683 349897061 /nfs/dbraw/zinc/89/70/61/349897061.db2.gz FQYLFOWJZRKZQX-WBVHZDCISA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)[C@H]1CCCCO1 ZINC000623879793 349904249 /nfs/dbraw/zinc/90/42/49/349904249.db2.gz OJFGDIIVIJTTKT-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCCO1 ZINC000623879793 349904252 /nfs/dbraw/zinc/90/42/52/349904252.db2.gz OJFGDIIVIJTTKT-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000423275776 529999624 /nfs/dbraw/zinc/99/96/24/529999624.db2.gz NJSXYYSVYMTJAX-NWDGAFQWSA-N 1 3 288.357 3.082 20 0 CGADHO CCC1(CC)CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000423074775 282350586 /nfs/dbraw/zinc/35/05/86/282350586.db2.gz VFPGBZSCGICCPA-NUEKZKHPSA-N 1 3 282.472 3.077 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411872619 530052747 /nfs/dbraw/zinc/05/27/47/530052747.db2.gz VXGCREALHDDJSL-HNNXBMFYSA-N 1 3 282.497 3.222 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CCSC2(CCC2)CC1 ZINC000411872619 530052748 /nfs/dbraw/zinc/05/27/48/530052748.db2.gz VXGCREALHDDJSL-HNNXBMFYSA-N 1 3 282.497 3.222 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000040620834 344964241 /nfs/dbraw/zinc/96/42/41/344964241.db2.gz AWMYQHJSXCNSRR-KRWDZBQOSA-N 1 3 274.452 3.432 20 0 CGADHO Cc1cc(C)c(CNC[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620834 344964245 /nfs/dbraw/zinc/96/42/45/344964245.db2.gz AWMYQHJSXCNSRR-KRWDZBQOSA-N 1 3 274.452 3.432 20 0 CGADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C(C)C)C2)c(C)c1 ZINC000040620834 344964248 /nfs/dbraw/zinc/96/42/48/344964248.db2.gz AWMYQHJSXCNSRR-KRWDZBQOSA-N 1 3 274.452 3.432 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@H](NCC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423274556 282965665 /nfs/dbraw/zinc/96/56/65/282965665.db2.gz MATHDUZQBWEAAC-GXFFZTMASA-N 1 3 298.352 3.071 20 0 CGADHO COc1ccc2cc(CNC[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000068722679 345360260 /nfs/dbraw/zinc/36/02/60/345360260.db2.gz UQFVJMVLMXAGOF-MRXNPFEDSA-N 1 3 298.430 3.280 20 0 CGADHO COc1ccc2cc(CNC[C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000068722679 345360261 /nfs/dbraw/zinc/36/02/61/345360261.db2.gz UQFVJMVLMXAGOF-MRXNPFEDSA-N 1 3 298.430 3.280 20 0 CGADHO Cc1cccc([C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000075766443 232176037 /nfs/dbraw/zinc/17/60/37/232176037.db2.gz ICZMDLXGUOHABO-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO Cc1cccc([C@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000075766443 232176042 /nfs/dbraw/zinc/17/60/42/232176042.db2.gz ICZMDLXGUOHABO-JKSUJKDBSA-N 1 3 260.425 3.330 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957646 349928239 /nfs/dbraw/zinc/92/82/39/349928239.db2.gz PMJIANQKIKRRQG-DFGXFYAUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957646 349928243 /nfs/dbraw/zinc/92/82/43/349928243.db2.gz PMJIANQKIKRRQG-DFGXFYAUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCCCO1 ZINC000623957646 349928248 /nfs/dbraw/zinc/92/82/48/349928248.db2.gz PMJIANQKIKRRQG-DFGXFYAUSA-N 1 3 294.483 3.187 20 0 CGADHO C[NH2+]C[C@H]1CCN([C@@H](C)c2cccc3ccccc32)C1 ZINC000071142311 345402363 /nfs/dbraw/zinc/40/23/63/345402363.db2.gz MHTDOIUWFDWYNU-LSDHHAIUSA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@H]1CC[N@@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000071142311 345402365 /nfs/dbraw/zinc/40/23/65/345402365.db2.gz MHTDOIUWFDWYNU-LSDHHAIUSA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@H]1CC[N@H+]([C@@H](C)c2cccc3ccccc32)C1 ZINC000071142311 345402367 /nfs/dbraw/zinc/40/23/67/345402367.db2.gz MHTDOIUWFDWYNU-LSDHHAIUSA-N 1 3 268.404 3.442 20 0 CGADHO Cc1csc([C@@H](C)NCCCCC[NH+]2CCCC2)n1 ZINC000623989875 349938179 /nfs/dbraw/zinc/93/81/79/349938179.db2.gz LDCUMOPJJWVXIN-CQSZACIVSA-N 1 3 281.469 3.368 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000092739338 345854817 /nfs/dbraw/zinc/85/48/17/345854817.db2.gz BWTZRLYDVVKUSC-GJZGRUSLSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(F)cn1 ZINC000092739338 345854819 /nfs/dbraw/zinc/85/48/19/345854819.db2.gz BWTZRLYDVVKUSC-GJZGRUSLSA-N 1 3 293.430 3.383 20 0 CGADHO Cc1c[nH+]ccc1NC[C@@H](c1ccccc1)N(C)C ZINC000191976809 346267261 /nfs/dbraw/zinc/26/72/61/346267261.db2.gz MMGMURPVVDAFKN-INIZCTEOSA-N 1 3 255.365 3.105 20 0 CGADHO Cc1c[nH+]ccc1NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000191979333 346267305 /nfs/dbraw/zinc/26/73/05/346267305.db2.gz ZCHORUNXPCXEBG-INIZCTEOSA-N 1 3 273.355 3.244 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000227031807 346308024 /nfs/dbraw/zinc/30/80/24/346308024.db2.gz LEFLQAALBPKWLU-NVXWUHKLSA-N 1 3 290.451 3.033 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC(CC[NH3+])CC1 ZINC000235785755 346337072 /nfs/dbraw/zinc/33/70/72/346337072.db2.gz MXXUDWZJGHRVDQ-UHFFFAOYSA-N 1 3 266.816 3.209 20 0 CGADHO CC[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248376172 346375443 /nfs/dbraw/zinc/37/54/43/346375443.db2.gz ZVEIFZHGXYEMEN-ARFHVFGLSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248376172 346375449 /nfs/dbraw/zinc/37/54/49/346375449.db2.gz ZVEIFZHGXYEMEN-ARFHVFGLSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000248376172 346375451 /nfs/dbraw/zinc/37/54/51/346375451.db2.gz ZVEIFZHGXYEMEN-ARFHVFGLSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000248376172 346375454 /nfs/dbraw/zinc/37/54/54/346375454.db2.gz ZVEIFZHGXYEMEN-ARFHVFGLSA-N 1 3 252.446 3.371 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@@H+]2C[C@H](CN)C[C@H]2C)c(C)c1 ZINC000252700391 346392300 /nfs/dbraw/zinc/39/23/00/346392300.db2.gz ZTVBCRVADKMKDF-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](CN)C[C@H]2C)c(C)c1 ZINC000252700391 346392301 /nfs/dbraw/zinc/39/23/01/346392301.db2.gz ZTVBCRVADKMKDF-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138331 346436097 /nfs/dbraw/zinc/43/60/97/346436097.db2.gz NBOHJGHOJFWTML-ILXRZTDVSA-N 1 3 252.446 3.131 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250247876 282506938 /nfs/dbraw/zinc/50/69/38/282506938.db2.gz LQMFGGIQXAEZLK-BRWVUGGUSA-N 1 3 292.854 3.393 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595020988 347259624 /nfs/dbraw/zinc/25/96/24/347259624.db2.gz BSHPQIWHPVZWNM-HUUCEWRRSA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)CSCCF)C1 ZINC000595020988 347259626 /nfs/dbraw/zinc/25/96/26/347259626.db2.gz BSHPQIWHPVZWNM-HUUCEWRRSA-N 1 3 290.492 3.035 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)CSCCF)C1 ZINC000595020988 347259628 /nfs/dbraw/zinc/25/96/28/347259628.db2.gz BSHPQIWHPVZWNM-HUUCEWRRSA-N 1 3 290.492 3.035 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624119765 349976198 /nfs/dbraw/zinc/97/61/98/349976198.db2.gz JBHQBYMFBVPJPT-KGLIPLIRSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(CCOc2cccc(C(C)(C)C)c2)C1 ZINC000351862494 219230684 /nfs/dbraw/zinc/23/06/84/219230684.db2.gz POIYMZOYUQNEEG-LSDHHAIUSA-N 1 3 290.451 3.032 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624119918 349977442 /nfs/dbraw/zinc/97/74/42/349977442.db2.gz MEVJADJTFQFDHT-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@H]1C ZINC000624121775 349979923 /nfs/dbraw/zinc/97/99/23/349979923.db2.gz CVIGWKKHVBMFBH-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121662 349980061 /nfs/dbraw/zinc/98/00/61/349980061.db2.gz ALOIKPYEBMFOIG-STQMWFEESA-N 1 3 280.378 3.429 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000624121542 349980345 /nfs/dbraw/zinc/98/03/45/349980345.db2.gz XUIAHKYOGOYFIR-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000624121544 349980377 /nfs/dbraw/zinc/98/03/77/349980377.db2.gz XUIAHKYOGOYFIR-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC000624122324 349981981 /nfs/dbraw/zinc/98/19/81/349981981.db2.gz OKVDLIIRTREZGC-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCNc3ccccc32)C1 ZINC000624122324 349981985 /nfs/dbraw/zinc/98/19/85/349981985.db2.gz OKVDLIIRTREZGC-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000624122324 349981987 /nfs/dbraw/zinc/98/19/87/349981987.db2.gz OKVDLIIRTREZGC-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000624123219 349983234 /nfs/dbraw/zinc/98/32/34/349983234.db2.gz IEAVBGNIEHHVEY-YOEHRIQHSA-N 1 3 288.435 3.091 20 0 CGADHO COc1cccc2c1CC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000359623973 233347971 /nfs/dbraw/zinc/34/79/71/233347971.db2.gz XHRZDPLYQWDYHH-QGZVFWFLSA-N 1 3 288.435 3.148 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)CC1 ZINC000628243893 350464005 /nfs/dbraw/zinc/46/40/05/350464005.db2.gz KZUQJGYBPBCYGH-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2ccc3[nH]ccc3c2)CC1 ZINC000628243893 350464008 /nfs/dbraw/zinc/46/40/08/350464008.db2.gz KZUQJGYBPBCYGH-UHFFFAOYSA-N 1 3 283.419 3.228 20 0 CGADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000629528765 350703309 /nfs/dbraw/zinc/70/33/09/350703309.db2.gz IVFQKUVCHPYRJS-AWEZNQCLSA-N 1 3 296.480 3.074 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCCC12CC2 ZINC000629554924 350711730 /nfs/dbraw/zinc/71/17/30/350711730.db2.gz OTPVCBLEBJKWTG-MWDXBVQZSA-N 1 3 276.468 3.467 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CCCC12CC2 ZINC000629554927 350711915 /nfs/dbraw/zinc/71/19/15/350711915.db2.gz OTPVCBLEBJKWTG-YYIAUSFCSA-N 1 3 276.468 3.467 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2CC(F)(F)F)C1 ZINC000629554528 350712167 /nfs/dbraw/zinc/71/21/67/350712167.db2.gz KEYZLJYZBOBTRS-ZIAGYGMSSA-N 1 3 286.341 3.151 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000629514481 350699702 /nfs/dbraw/zinc/69/97/02/350699702.db2.gz MIULLZNERIBRMC-IIAWOOMASA-N 1 3 294.826 3.063 20 0 CGADHO CCC[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)OCC ZINC000629514573 350699907 /nfs/dbraw/zinc/69/99/07/350699907.db2.gz LMEIXYWRUSYDDW-HRCADAONSA-N 1 3 270.461 3.092 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000629521936 350701516 /nfs/dbraw/zinc/70/15/16/350701516.db2.gz YOUGCLXSMHXFBO-UHFFFAOYSA-N 1 3 289.467 3.335 20 0 CGADHO C[C@H](CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000629656415 350731470 /nfs/dbraw/zinc/73/14/70/350731470.db2.gz OIEYYISJRZCUDA-GRYCIOLGSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1)C(C)(C)C ZINC000629656415 350731471 /nfs/dbraw/zinc/73/14/71/350731471.db2.gz OIEYYISJRZCUDA-GRYCIOLGSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CN)C1)C(C)(C)C ZINC000629656415 350731473 /nfs/dbraw/zinc/73/14/73/350731473.db2.gz OIEYYISJRZCUDA-GRYCIOLGSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@@H]1CCC[C@H](CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629656766 350731523 /nfs/dbraw/zinc/73/15/23/350731523.db2.gz QHFBEXMGUSCDLE-ZOBORPQBSA-N 1 3 292.389 3.272 20 0 CGADHO FC(F)c1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cn1 ZINC000631054862 350938134 /nfs/dbraw/zinc/93/81/34/350938134.db2.gz YETVNRLVXKVXEV-UHFFFAOYSA-N 1 3 295.377 3.126 20 0 CGADHO C[C@H](C[NH2+]Cc1ccc(CC(F)(F)F)cc1)CN(C)C ZINC000631140350 350966962 /nfs/dbraw/zinc/96/69/62/350966962.db2.gz PJLWPFVFJVYFFG-GFCCVEGCSA-N 1 3 288.357 3.079 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733529 351578144 /nfs/dbraw/zinc/57/81/44/351578144.db2.gz HLLPPBSBSPWQSQ-NWDGAFQWSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005516 351623641 /nfs/dbraw/zinc/62/36/41/351623641.db2.gz OGXNHLJJRHZLJC-HYVNUMGLSA-N 1 3 260.425 3.115 20 0 CGADHO N[C@H](CC[NH2+][C@@H]1CCC[C@H]1CCCF)Cc1ccccc1 ZINC000635006540 351624447 /nfs/dbraw/zinc/62/44/47/351624447.db2.gz LTORMOHTHWOFLJ-RCCFBDPRSA-N 1 3 292.442 3.455 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc2c1CCNC2 ZINC000635006194 351624742 /nfs/dbraw/zinc/62/47/42/351624742.db2.gz BCGLSCLPKOGBKU-NSHDSACASA-N 1 3 286.341 3.153 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635009848 351627335 /nfs/dbraw/zinc/62/73/35/351627335.db2.gz WPLRDVHEBCABDJ-PBHICJAKSA-N 1 3 260.425 3.115 20 0 CGADHO c1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c2c(c1)CNCC2 ZINC000635009601 351627566 /nfs/dbraw/zinc/62/75/66/351627566.db2.gz ILPQDLXZUGJJEQ-ROUUACIJSA-N 1 3 270.420 3.001 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635009592 351627635 /nfs/dbraw/zinc/62/76/35/351627635.db2.gz IICRAWGKEMZURJ-CYBMUJFWSA-N 1 3 286.444 3.115 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635009854 351628081 /nfs/dbraw/zinc/62/80/81/351628081.db2.gz WPLRDVHEBCABDJ-YOEHRIQHSA-N 1 3 260.425 3.115 20 0 CGADHO CCC[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009919 351628527 /nfs/dbraw/zinc/62/85/27/351628527.db2.gz XERXZXHEWCOCSU-RBUKOAKNSA-N 1 3 297.446 3.473 20 0 CGADHO Cc1ccccc1[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011805 351629578 /nfs/dbraw/zinc/62/95/78/351629578.db2.gz PFWMTMUHQHKHQD-GJZGRUSLSA-N 1 3 260.425 3.424 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635012561 351630801 /nfs/dbraw/zinc/63/08/01/351630801.db2.gz WGVQKSSJZZEDKD-JLTOFOAXSA-N 1 3 292.426 3.355 20 0 CGADHO c1cc2c(cccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[nH]1 ZINC000635012707 351630955 /nfs/dbraw/zinc/63/09/55/351630955.db2.gz NPSIZQQVAOTSJV-BPQIPLTHSA-N 1 3 283.419 3.178 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113413 198167745 /nfs/dbraw/zinc/16/77/45/198167745.db2.gz JHSZFMCRNTVZPR-RHSMWYFYSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113413 198167746 /nfs/dbraw/zinc/16/77/46/198167746.db2.gz JHSZFMCRNTVZPR-RHSMWYFYSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccccn1 ZINC000158654106 188387262 /nfs/dbraw/zinc/38/72/62/188387262.db2.gz OMANFNMRQUXBCS-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccn1 ZINC000158654106 188387264 /nfs/dbraw/zinc/38/72/64/188387264.db2.gz OMANFNMRQUXBCS-HOTGVXAUSA-N 1 3 275.440 3.244 20 0 CGADHO Fc1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000298062582 283002697 /nfs/dbraw/zinc/00/26/97/283002697.db2.gz KFBLNEANSYKQFV-SFHVURJKSA-N 1 3 288.410 3.420 20 0 CGADHO C[C@H]1CSC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335944888 291030356 /nfs/dbraw/zinc/03/03/56/291030356.db2.gz IIQCJBSWGNYMFZ-XJKSGUPXSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@H]1CSC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335944888 291030361 /nfs/dbraw/zinc/03/03/61/291030361.db2.gz IIQCJBSWGNYMFZ-XJKSGUPXSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H]1CCCSc2ccc(Cl)cc21 ZINC000423296030 295892461 /nfs/dbraw/zinc/89/24/61/295892461.db2.gz GAFODZRYTMUNQX-GXFFZTMASA-N 1 3 284.856 3.451 20 0 CGADHO CC(C)[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000271822334 191348833 /nfs/dbraw/zinc/34/88/33/191348833.db2.gz COYSOJHQSGFODG-QGZVFWFLSA-N 1 3 258.409 3.235 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271873296 191382375 /nfs/dbraw/zinc/38/23/75/191382375.db2.gz NIKCNIPPFQVREM-SFHVURJKSA-N 1 3 272.436 3.168 20 0 CGADHO Cc1cc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)oc1C ZINC000414192581 235359848 /nfs/dbraw/zinc/35/98/48/235359848.db2.gz SLWCDXLQRCTXHA-DZGCQCFKSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192581 235359849 /nfs/dbraw/zinc/35/98/49/235359849.db2.gz SLWCDXLQRCTXHA-DZGCQCFKSA-N 1 3 264.413 3.279 20 0 CGADHO CC(C)Oc1ccccc1CNCCC1CC[NH+](C)CC1 ZINC000105455123 138352661 /nfs/dbraw/zinc/35/26/61/138352661.db2.gz SDFUUUKEYFOJFC-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(-c3ccccn3)c2)CC[N@@H+]1C ZINC000128380613 138393337 /nfs/dbraw/zinc/39/33/37/138393337.db2.gz IBHCHTPZXUEHDZ-CRAIPNDOSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128380613 138393338 /nfs/dbraw/zinc/39/33/38/138393338.db2.gz IBHCHTPZXUEHDZ-CRAIPNDOSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(-c3ccccn3)c2)CC[N@@H+]1C ZINC000128381335 138393476 /nfs/dbraw/zinc/39/34/76/138393476.db2.gz IBHCHTPZXUEHDZ-YJBOKZPZSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128381335 138393477 /nfs/dbraw/zinc/39/34/77/138393477.db2.gz IBHCHTPZXUEHDZ-YJBOKZPZSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000423294709 236026664 /nfs/dbraw/zinc/02/66/64/236026664.db2.gz UYZGBEMQNOEUSE-OLZOCXBDSA-N 1 3 298.386 3.286 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000423300635 236031000 /nfs/dbraw/zinc/03/10/00/236031000.db2.gz DPXALIHBAKWGRE-NEPJUHHUSA-N 1 3 288.357 3.211 20 0 CGADHO c1ccc(CC[C@@H](Cc2ccccc2)[NH2+]CC2CNC2)cc1 ZINC000423309349 236033571 /nfs/dbraw/zinc/03/35/71/236033571.db2.gz ZFCGLEQRQPFRQY-FQEVSTJZSA-N 1 3 294.442 3.040 20 0 CGADHO c1ccc(CC[C@@H](Cc2ccccc2)NCC2C[NH2+]C2)cc1 ZINC000423309349 236033574 /nfs/dbraw/zinc/03/35/74/236033574.db2.gz ZFCGLEQRQPFRQY-FQEVSTJZSA-N 1 3 294.442 3.040 20 0 CGADHO N[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000423312517 236034211 /nfs/dbraw/zinc/03/42/11/236034211.db2.gz DGQGZSDGKWMTLE-MOPGFXCFSA-N 1 3 280.415 3.297 20 0 CGADHO [NH3+][C@H](CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000423312009 236034222 /nfs/dbraw/zinc/03/42/22/236034222.db2.gz CJOHEESTIGDACI-VNQPRFMTSA-N 1 3 278.827 3.303 20 0 CGADHO N[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1)C1CC1 ZINC000423313917 236034588 /nfs/dbraw/zinc/03/45/88/236034588.db2.gz GJFIKCVXSAMHNA-RTBURBONSA-N 1 3 298.405 3.436 20 0 CGADHO [NH3+]C1(CN[C@H](Cc2ccccc2Cl)C2CC2)CCC1 ZINC000423333616 236041830 /nfs/dbraw/zinc/04/18/30/236041830.db2.gz RYTGRJBMSNRPKF-OAHLLOKOSA-N 1 3 278.827 3.132 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)CCN1 ZINC000423365796 236051707 /nfs/dbraw/zinc/05/17/07/236051707.db2.gz BVXSKTQRHQHNDG-RLCCDNCMSA-N 1 3 262.372 3.007 20 0 CGADHO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C[C@@H](C)C1 ZINC000423369606 236052405 /nfs/dbraw/zinc/05/24/05/236052405.db2.gz FFASFAVJHSXBPW-LAQFHYBYSA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccn1 ZINC000423494851 236086152 /nfs/dbraw/zinc/08/61/52/236086152.db2.gz BCUVDXFHQKTETN-RHSMWYFYSA-N 1 3 269.392 3.212 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423406577 236066464 /nfs/dbraw/zinc/06/64/64/236066464.db2.gz YZZZMLPQBMVFRQ-JCURWCKSSA-N 1 3 258.409 3.096 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423428370 236069052 /nfs/dbraw/zinc/06/90/52/236069052.db2.gz GMYIUXZJPKWIFQ-AKWBHNSASA-N 1 3 280.362 3.004 20 0 CGADHO CCOc1ccc([C@H](CC)[NH2+]C[C@@H](N)CC)cc1OCC ZINC000423483601 236083884 /nfs/dbraw/zinc/08/38/84/236083884.db2.gz YAJVYWGVEQKCLY-GJZGRUSLSA-N 1 3 294.439 3.262 20 0 CGADHO COC[C@H](NCCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000423490367 236085021 /nfs/dbraw/zinc/08/50/21/236085021.db2.gz XOKOWDSRGIVDQY-CVEARBPZSA-N 1 3 296.842 3.149 20 0 CGADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000423491245 236085627 /nfs/dbraw/zinc/08/56/27/236085627.db2.gz YUDIYMNXNANZPA-STQMWFEESA-N 1 3 250.361 3.009 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1F ZINC000423540605 236095392 /nfs/dbraw/zinc/09/53/92/236095392.db2.gz KAIDMWLPMXIBSK-WUHRBBMRSA-N 1 3 280.362 3.004 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NCCCc1c(F)cccc1Cl ZINC000424364706 236157011 /nfs/dbraw/zinc/15/70/11/236157011.db2.gz FCMGDFZBNHPPKA-HUUCEWRRSA-N 1 3 284.806 3.271 20 0 CGADHO C[C@H]1CC2(CN1Cc1ccccc1Cl)CC[NH2+]CC2 ZINC000424301128 236144139 /nfs/dbraw/zinc/14/41/39/236144139.db2.gz XCNHKENHFNUHGE-ZDUSSCGKSA-N 1 3 278.827 3.304 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CC45CC5)[C@H]3C2)cc1 ZINC000424326832 236150615 /nfs/dbraw/zinc/15/06/15/236150615.db2.gz PIYSOCRNJPVFFE-XSLAGTTESA-N 1 3 282.431 3.039 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422877193 296020728 /nfs/dbraw/zinc/02/07/28/296020728.db2.gz HDCICMSCSLUGQS-ZIAGYGMSSA-N 1 3 278.415 3.353 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(F)cc2)CCCC1 ZINC000422877193 296020730 /nfs/dbraw/zinc/02/07/30/296020730.db2.gz HDCICMSCSLUGQS-ZIAGYGMSSA-N 1 3 278.415 3.353 20 0 CGADHO CC/C=C/CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342198983 216255948 /nfs/dbraw/zinc/25/59/48/216255948.db2.gz IIZNBMNWPCKHCD-WZDWLKHJSA-N 1 3 294.483 3.164 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173886 189290054 /nfs/dbraw/zinc/29/00/54/189290054.db2.gz NYEXTTMYZKYNOU-GZBFAFLISA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173886 189290055 /nfs/dbraw/zinc/29/00/55/189290055.db2.gz NYEXTTMYZKYNOU-GZBFAFLISA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](NC/C=C/C[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000181639686 189303082 /nfs/dbraw/zinc/30/30/82/189303082.db2.gz LNRVWWZMYYAWAH-PIGHNIFASA-N 1 3 296.418 3.034 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCSC3)CC2)C1 ZINC000448029810 238943123 /nfs/dbraw/zinc/94/31/23/238943123.db2.gz RACIHVZAZXNGAY-INMHGKMJSA-N 1 3 296.524 3.372 20 0 CGADHO CN(C)Cc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448064278 238945274 /nfs/dbraw/zinc/94/52/74/238945274.db2.gz DXWVXCINJHJTTR-UHFFFAOYSA-N 1 3 258.409 3.171 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000449089246 239171638 /nfs/dbraw/zinc/17/16/38/239171638.db2.gz JLQZJOXKGSGHOO-JLZZUVOBSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(F)c1 ZINC000449089246 239171643 /nfs/dbraw/zinc/17/16/43/239171643.db2.gz JLQZJOXKGSGHOO-JLZZUVOBSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]CCCN1CCCC1 ZINC000449218793 239250254 /nfs/dbraw/zinc/25/02/54/239250254.db2.gz KUBYGHJWPREIDP-OAHLLOKOSA-N 1 3 286.419 3.439 20 0 CGADHO C[C@H](Cc1coc2ccccc12)NCCC[NH+]1CCCC1 ZINC000449218793 239250259 /nfs/dbraw/zinc/25/02/59/239250259.db2.gz KUBYGHJWPREIDP-OAHLLOKOSA-N 1 3 286.419 3.439 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC(C)(C)CO)CC2)C1 ZINC000449406860 239392028 /nfs/dbraw/zinc/39/20/28/239392028.db2.gz DBLVZIHLCDJSJI-WBVHZDCISA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC(C)(C)CO)CC2)C1 ZINC000449406860 239392032 /nfs/dbraw/zinc/39/20/32/239392032.db2.gz DBLVZIHLCDJSJI-WBVHZDCISA-N 1 3 296.499 3.028 20 0 CGADHO CCOCCC[N@@H+]1CC[C@H](NCC2=CCCCC2)[C@@H](C)C1 ZINC000450750642 240067909 /nfs/dbraw/zinc/06/79/09/240067909.db2.gz BEYBZVSLFKZIFI-WMZOPIPTSA-N 1 3 294.483 3.213 20 0 CGADHO CCOCCC[N@H+]1CC[C@H](NCC2=CCCCC2)[C@@H](C)C1 ZINC000450750642 240067914 /nfs/dbraw/zinc/06/79/14/240067914.db2.gz BEYBZVSLFKZIFI-WMZOPIPTSA-N 1 3 294.483 3.213 20 0 CGADHO CC[C@@H](C)[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000120680818 370791242 /nfs/dbraw/zinc/79/12/42/370791242.db2.gz AHNRDDBBLBTPQY-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648150 193095426 /nfs/dbraw/zinc/09/54/26/193095426.db2.gz CHSPEHIIEFURMG-UWWQBHOKSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648150 193095428 /nfs/dbraw/zinc/09/54/28/193095428.db2.gz CHSPEHIIEFURMG-UWWQBHOKSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648150 193095429 /nfs/dbraw/zinc/09/54/29/193095429.db2.gz CHSPEHIIEFURMG-UWWQBHOKSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648150 193095431 /nfs/dbraw/zinc/09/54/31/193095431.db2.gz CHSPEHIIEFURMG-UWWQBHOKSA-N 1 3 290.426 3.345 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459415269 242100367 /nfs/dbraw/zinc/10/03/67/242100367.db2.gz BKZGFGFALXAGFS-SHWKFHJASA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459598855 242142720 /nfs/dbraw/zinc/14/27/20/242142720.db2.gz QPPLXYRYHCJOCC-ROUUACIJSA-N 1 3 287.451 3.465 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc3cc(F)ccc3o2)C1 ZINC000459743165 242204375 /nfs/dbraw/zinc/20/43/75/242204375.db2.gz WTANZAAAOFTCJP-ZDUSSCGKSA-N 1 3 290.382 3.393 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cc3cc(F)ccc3o2)C1 ZINC000459743165 242204381 /nfs/dbraw/zinc/20/43/81/242204381.db2.gz WTANZAAAOFTCJP-ZDUSSCGKSA-N 1 3 290.382 3.393 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCCF)CC1 ZINC000462821376 242367094 /nfs/dbraw/zinc/36/70/94/242367094.db2.gz XZOMZUHYSQMZSF-GDBMZVCRSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCCF)CC1 ZINC000462821376 242367098 /nfs/dbraw/zinc/36/70/98/242367098.db2.gz XZOMZUHYSQMZSF-GDBMZVCRSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1CC1(C)C ZINC000487196689 243404917 /nfs/dbraw/zinc/40/49/17/243404917.db2.gz HJRFYCVDDNERNA-KGLIPLIRSA-N 1 3 252.446 3.133 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2ccc(C)o2)CC1 ZINC000121817483 370898887 /nfs/dbraw/zinc/89/88/87/370898887.db2.gz UTFZIKOGEKGPPW-CQSZACIVSA-N 1 3 264.413 3.361 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000126562604 370945587 /nfs/dbraw/zinc/94/55/87/370945587.db2.gz DTVWCPCIQTWDFJ-OKZBNKHCSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126562604 370945592 /nfs/dbraw/zinc/94/55/92/370945592.db2.gz DTVWCPCIQTWDFJ-OKZBNKHCSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126562604 370945595 /nfs/dbraw/zinc/94/55/95/370945595.db2.gz DTVWCPCIQTWDFJ-OKZBNKHCSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@H]([NH2+]CCCN(CC)CC)c1ccc(OC)cc1 ZINC000019943154 368788383 /nfs/dbraw/zinc/78/83/83/368788383.db2.gz OLMVVQFNBMKOMX-KRWDZBQOSA-N 1 3 278.440 3.468 20 0 CGADHO Fc1cccc(C2CC([NH2+]CCCN3CCCC3)C2)c1 ZINC000036843495 369033539 /nfs/dbraw/zinc/03/35/39/369033539.db2.gz IICYDAQYIFGMQH-UHFFFAOYSA-N 1 3 276.399 3.147 20 0 CGADHO Fc1cccc(C2CC(NCCC[NH+]3CCCC3)C2)c1 ZINC000036843495 369033545 /nfs/dbraw/zinc/03/35/45/369033545.db2.gz IICYDAQYIFGMQH-UHFFFAOYSA-N 1 3 276.399 3.147 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccc(C)s2)CC1 ZINC000037149815 369069275 /nfs/dbraw/zinc/06/92/75/369069275.db2.gz VCBMZASXXDTZAA-UHFFFAOYSA-N 1 3 266.454 3.411 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1OC ZINC000037197123 369075531 /nfs/dbraw/zinc/07/55/31/369075531.db2.gz OXLPWJQQQWMVIE-HNNXBMFYSA-N 1 3 278.440 3.324 20 0 CGADHO c1cc(N2CCC([NH2+]CC3CCCCC3)CC2)ccn1 ZINC000037259262 369080345 /nfs/dbraw/zinc/08/03/45/369080345.db2.gz BZUFKCLOZHZTMM-UHFFFAOYSA-N 1 3 273.424 3.220 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000037644370 369095704 /nfs/dbraw/zinc/09/57/04/369095704.db2.gz LEQXGMDLGTZQDD-ZLPCBKJTSA-N 1 3 272.436 3.172 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648954 369096070 /nfs/dbraw/zinc/09/60/70/369096070.db2.gz XDBRXTJPSUEANG-HUUCEWRRSA-N 1 3 284.447 3.310 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC2 ZINC000037648954 369096074 /nfs/dbraw/zinc/09/60/74/369096074.db2.gz XDBRXTJPSUEANG-HUUCEWRRSA-N 1 3 284.447 3.310 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000037074634 369058564 /nfs/dbraw/zinc/05/85/64/369058564.db2.gz HHDMTSJTPLGOHH-JZIBPQBNSA-N 1 3 292.398 3.110 20 0 CGADHO c1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075700 369171823 /nfs/dbraw/zinc/17/18/23/369171823.db2.gz YUJMSLGHZLJJHT-KDOFPFPSSA-N 1 3 270.420 3.212 20 0 CGADHO c1ccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075700 369171828 /nfs/dbraw/zinc/17/18/28/369171828.db2.gz YUJMSLGHZLJJHT-KDOFPFPSSA-N 1 3 270.420 3.212 20 0 CGADHO Cc1cc(NCC[NH+]2CCCCC2)c2ccccc2n1 ZINC000049575270 369410418 /nfs/dbraw/zinc/41/04/18/369410418.db2.gz WUOJTXBIQVAACC-UHFFFAOYSA-N 1 3 269.392 3.441 20 0 CGADHO CN1CC=C(C[NH2+]CCCCCOc2ccccc2)CC1 ZINC000276150228 193226062 /nfs/dbraw/zinc/22/60/62/193226062.db2.gz DUCOEYSRDXNQHI-UHFFFAOYSA-N 1 3 288.435 3.087 20 0 CGADHO C[NH2+]CCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000070188789 369787763 /nfs/dbraw/zinc/78/77/63/369787763.db2.gz UHGFBJYOOCIMQL-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO CS[C@@H](C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000090725656 370068250 /nfs/dbraw/zinc/06/82/50/370068250.db2.gz DKOCUKWXFXHOPH-UONOGXRCSA-N 1 3 296.480 3.029 20 0 CGADHO C1=CC[C@H](CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000092066243 370093820 /nfs/dbraw/zinc/09/38/20/370093820.db2.gz IKGAFDHMGLYAOG-BQFCYCMXSA-N 1 3 274.452 3.291 20 0 CGADHO C1=CC[C@H](CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000092066243 370093823 /nfs/dbraw/zinc/09/38/23/370093823.db2.gz IKGAFDHMGLYAOG-BQFCYCMXSA-N 1 3 274.452 3.291 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccccc1N(C)C ZINC000093946617 370165050 /nfs/dbraw/zinc/16/50/50/370165050.db2.gz LLOBBRSVQCWDKN-JYJNAYRXSA-N 1 3 289.467 3.276 20 0 CGADHO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000178362148 296158416 /nfs/dbraw/zinc/15/84/16/296158416.db2.gz VESCNSBHGFNEHC-ZIAGYGMSSA-N 1 3 276.424 3.076 20 0 CGADHO c1coc(CNCCCCC[NH+]2CCCCC2)c1 ZINC000113343905 370473289 /nfs/dbraw/zinc/47/32/89/370473289.db2.gz KTHBRWJGYXWJOY-UHFFFAOYSA-N 1 3 250.386 3.025 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102095 371011670 /nfs/dbraw/zinc/01/16/70/371011670.db2.gz JAZXUNNVPGEBRD-MBNYWOFBSA-N 1 3 298.377 3.421 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000130102095 371011674 /nfs/dbraw/zinc/01/16/74/371011674.db2.gz JAZXUNNVPGEBRD-MBNYWOFBSA-N 1 3 298.377 3.421 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130232286 371020623 /nfs/dbraw/zinc/02/06/23/371020623.db2.gz QFEOKHVJPQNRCM-ARFHVFGLSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C(C)(C)c1ccccc1 ZINC000423366673 299420522 /nfs/dbraw/zinc/42/05/22/299420522.db2.gz BZTJSNPYFVPWDQ-IMJJTQAJSA-N 1 3 260.425 3.212 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCc3ccc(C)cc32)CC1 ZINC000149387507 371527841 /nfs/dbraw/zinc/52/78/41/371527841.db2.gz JZKGXKPGRJYYKH-QGZVFWFLSA-N 1 3 258.409 3.056 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000151095507 371567608 /nfs/dbraw/zinc/56/76/08/371567608.db2.gz NCDBLVJTBYRVTA-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102842 371568482 /nfs/dbraw/zinc/56/84/82/371568482.db2.gz PIWOBGAXGYRJTD-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102842 371568488 /nfs/dbraw/zinc/56/84/88/371568488.db2.gz PIWOBGAXGYRJTD-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)c2cccc(OC)c2)C1 ZINC000151102842 371568494 /nfs/dbraw/zinc/56/84/94/371568494.db2.gz PIWOBGAXGYRJTD-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000152512887 371699916 /nfs/dbraw/zinc/69/99/16/371699916.db2.gz UGMOYNWLLNRMDR-YJBOKZPZSA-N 1 3 290.451 3.151 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000152512887 371699919 /nfs/dbraw/zinc/69/99/19/371699919.db2.gz UGMOYNWLLNRMDR-YJBOKZPZSA-N 1 3 290.451 3.151 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422764635 371791719 /nfs/dbraw/zinc/79/17/19/371791719.db2.gz KCIKNJHOKVJJLI-IRXDYDNUSA-N 1 3 292.492 3.335 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])c(C)c1 ZINC000422708427 371761113 /nfs/dbraw/zinc/76/11/13/371761113.db2.gz XNJOELMOZJKAJV-DLBZAZTESA-N 1 3 260.425 3.096 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1cccc(C(F)(F)F)c1 ZINC000422710050 371764351 /nfs/dbraw/zinc/76/43/51/371764351.db2.gz DTEABVQDNZNWEH-KGLIPLIRSA-N 1 3 286.341 3.107 20 0 CGADHO Fc1ccc([C@H]([NH2+]C2CCNCC2)C2CCC2)cc1 ZINC000422716543 371766298 /nfs/dbraw/zinc/76/62/98/371766298.db2.gz NJLIETRWKBRAIL-MRXNPFEDSA-N 1 3 262.372 3.009 20 0 CGADHO Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCCC[C@@H]3CN)c21 ZINC000422722474 371767829 /nfs/dbraw/zinc/76/78/29/371767829.db2.gz XYYNBDYEZWBDLU-ZBFHGGJFSA-N 1 3 285.435 3.126 20 0 CGADHO CCC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000422719747 371767981 /nfs/dbraw/zinc/76/79/81/371767981.db2.gz ZEOMBZPAYZQHBM-JKSUJKDBSA-N 1 3 252.446 3.467 20 0 CGADHO Clc1cc(Cl)cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422722553 371768577 /nfs/dbraw/zinc/76/85/77/371768577.db2.gz YJMSWXFEIHDQIS-YIONKMFJSA-N 1 3 299.245 3.409 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2CCC[C@H]2N)c1C ZINC000422741540 371779016 /nfs/dbraw/zinc/77/90/16/371779016.db2.gz OTCCGQDZMVVYBC-HZPDHXFCSA-N 1 3 271.408 3.063 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCSc1ccc(F)cc1 ZINC000422751512 371783657 /nfs/dbraw/zinc/78/36/57/371783657.db2.gz CUZRZGCGVXDPSE-VXGBXAGGSA-N 1 3 270.417 3.023 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCCSc1ccc(F)cc1 ZINC000422751512 371783661 /nfs/dbraw/zinc/78/36/61/371783661.db2.gz CUZRZGCGVXDPSE-VXGBXAGGSA-N 1 3 270.417 3.023 20 0 CGADHO Cc1ccc(CSCCN[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422760762 371789221 /nfs/dbraw/zinc/78/92/21/371789221.db2.gz HDNDGDBBXQLPEE-IRXDYDNUSA-N 1 3 292.492 3.478 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCSCc1ccccc1F ZINC000422761140 371790776 /nfs/dbraw/zinc/79/07/76/371790776.db2.gz HEWBHSUPMLPNOK-HOTGVXAUSA-N 1 3 296.455 3.309 20 0 CGADHO Cc1cc(Br)cc(C)c1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422828454 371830928 /nfs/dbraw/zinc/83/09/28/371830928.db2.gz TWLKBEVCKHYRFH-VXGBXAGGSA-N 1 3 299.256 3.281 20 0 CGADHO COc1ccc([C@H](N[C@@H](C)C[C@H](C)[NH3+])C(C)C)cc1 ZINC000422780568 371804051 /nfs/dbraw/zinc/80/40/51/371804051.db2.gz HRPRIEJLBDLJPP-HEHGZKQESA-N 1 3 264.413 3.108 20 0 CGADHO COc1cccc(F)c1[C@@H](C)N[C@H](C)CCCC[NH3+] ZINC000422783470 371806972 /nfs/dbraw/zinc/80/69/72/371806972.db2.gz HNERYWGKHNAEEN-VXGBXAGGSA-N 1 3 268.376 3.002 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]CCc2cc(F)ccc2F)c2ccccc21 ZINC000422808109 371823257 /nfs/dbraw/zinc/82/32/57/371823257.db2.gz AGMXIXHTXZRYBO-IAGOWNOFSA-N 1 3 288.341 3.242 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)C1(CC)CC ZINC000344088052 217044487 /nfs/dbraw/zinc/04/44/87/217044487.db2.gz NHDOUSNQBBJRLD-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccc(OCCCCN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422894074 371858036 /nfs/dbraw/zinc/85/80/36/371858036.db2.gz BNAJTRLAKIYSFF-WMZOPIPTSA-N 1 3 290.451 3.274 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1ccccc1C ZINC000422921538 371871823 /nfs/dbraw/zinc/87/18/23/371871823.db2.gz QIJONCSMPLGKBV-BRWVUGGUSA-N 1 3 290.451 3.260 20 0 CGADHO CC[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1C ZINC000422921538 371871828 /nfs/dbraw/zinc/87/18/28/371871828.db2.gz QIJONCSMPLGKBV-BRWVUGGUSA-N 1 3 290.451 3.260 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422936547 371880053 /nfs/dbraw/zinc/88/00/53/371880053.db2.gz MMKNORMNCJJFOX-KXBFYZLASA-N 1 3 282.431 3.360 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422941397 371882667 /nfs/dbraw/zinc/88/26/67/371882667.db2.gz HZELNGMNYXZBPB-DNVCBOLYSA-N 1 3 282.431 3.360 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc2ccccc2c1 ZINC000422941397 371882674 /nfs/dbraw/zinc/88/26/74/371882674.db2.gz HZELNGMNYXZBPB-DNVCBOLYSA-N 1 3 282.431 3.360 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000423056020 371938256 /nfs/dbraw/zinc/93/82/56/371938256.db2.gz XPPYEDJSWCCDMF-NWDGAFQWSA-N 1 3 261.413 3.078 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000422958996 371892312 /nfs/dbraw/zinc/89/23/12/371892312.db2.gz QFOJKIABTJGZHH-IMJJTQAJSA-N 1 3 294.389 3.018 20 0 CGADHO Fc1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000422958846 371893784 /nfs/dbraw/zinc/89/37/84/371893784.db2.gz QFOJKIABTJGZHH-BMFZPTHFSA-N 1 3 294.389 3.018 20 0 CGADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(c2ccccc2)C1 ZINC000422966608 371895189 /nfs/dbraw/zinc/89/51/89/371895189.db2.gz NWBMFSNRMXORJB-BTWUCOSQSA-N 1 3 294.442 3.481 20 0 CGADHO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422984179 371902165 /nfs/dbraw/zinc/90/21/65/371902165.db2.gz XJJXFQAKPORMQX-AWEZNQCLSA-N 1 3 283.419 3.050 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423015898 371916283 /nfs/dbraw/zinc/91/62/83/371916283.db2.gz LSDCKJPNZMTSAG-OWCLPIDISA-N 1 3 292.492 3.499 20 0 CGADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423015898 371916290 /nfs/dbraw/zinc/91/62/90/371916290.db2.gz LSDCKJPNZMTSAG-OWCLPIDISA-N 1 3 292.492 3.499 20 0 CGADHO Cc1cc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CC2)ccc1F ZINC000423017163 371916631 /nfs/dbraw/zinc/91/66/31/371916631.db2.gz VQGOWAJGEJCVCT-NVXWUHKLSA-N 1 3 276.399 3.317 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423016044 371916894 /nfs/dbraw/zinc/91/68/94/371916894.db2.gz SEUMSAJCBMOJMM-HOTGVXAUSA-N 1 3 294.389 3.246 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCc2cc(F)ccc21 ZINC000423016091 371916970 /nfs/dbraw/zinc/91/69/70/371916970.db2.gz AYLJAECSWONCDJ-JLZZUVOBSA-N 1 3 276.399 3.181 20 0 CGADHO Cc1ccsc1CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423017461 371919011 /nfs/dbraw/zinc/91/90/11/371919011.db2.gz ORHRWSGQCWSIRV-HUUCEWRRSA-N 1 3 280.481 3.499 20 0 CGADHO CS[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000423028365 371924120 /nfs/dbraw/zinc/92/41/20/371924120.db2.gz GFZJGAUSNMJHAT-BYNSBNAKSA-N 1 3 284.513 3.274 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423099850 371962989 /nfs/dbraw/zinc/96/29/89/371962989.db2.gz UJTGUKSQQXRDOV-XOUADPBQSA-N 1 3 278.827 3.303 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423098843 371963186 /nfs/dbraw/zinc/96/31/86/371963186.db2.gz SQHINYKGBWIMQT-MXAVVETBSA-N 1 3 298.352 3.421 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423101281 371965469 /nfs/dbraw/zinc/96/54/69/371965469.db2.gz VTXKQHATMYKMBY-XUXIUFHCSA-N 1 3 264.388 3.177 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423101309 371965518 /nfs/dbraw/zinc/96/55/18/371965518.db2.gz VZTJTRZSTXGRJB-FHIRATQRSA-N 1 3 276.399 3.179 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCC23CCOCC3)c2ccccc21 ZINC000423107797 371969466 /nfs/dbraw/zinc/96/94/66/371969466.db2.gz FFKVRQCOUGOAMW-IXDOHACOSA-N 1 3 286.419 3.070 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000156293125 371973075 /nfs/dbraw/zinc/97/30/75/371973075.db2.gz MBCWPKOMHSPMTF-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000156293125 371973079 /nfs/dbraw/zinc/97/30/79/371973079.db2.gz MBCWPKOMHSPMTF-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@H](C)N)c(C)c1 ZINC000423125065 371978341 /nfs/dbraw/zinc/97/83/41/371978341.db2.gz HIRLWAHUIOMDND-GJZGRUSLSA-N 1 3 262.441 3.296 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000423125065 371978349 /nfs/dbraw/zinc/97/83/49/371978349.db2.gz HIRLWAHUIOMDND-GJZGRUSLSA-N 1 3 262.441 3.296 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@H](C)C3CNC3)CCCC2)c(C)c1 ZINC000423128758 371980998 /nfs/dbraw/zinc/98/09/98/371980998.db2.gz DJXXRTGSJNGBMV-MRXNPFEDSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(C2(CN[C@H](C)C3C[NH2+]C3)CCCC2)c(C)c1 ZINC000423128758 371981003 /nfs/dbraw/zinc/98/10/03/371981003.db2.gz DJXXRTGSJNGBMV-MRXNPFEDSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])c2ccccc12 ZINC000423173235 372002380 /nfs/dbraw/zinc/00/23/80/372002380.db2.gz XNPNKPQKGMUMEA-UONOGXRCSA-N 1 3 256.393 3.364 20 0 CGADHO CCSc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423139128 371986366 /nfs/dbraw/zinc/98/63/66/371986366.db2.gz YVEWFXSTYAQDDL-CJNGLKHVSA-N 1 3 278.465 3.276 20 0 CGADHO CCOc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290432362 371987988 /nfs/dbraw/zinc/98/79/88/371987988.db2.gz LHJKCPCQYAVDQS-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290432362 371987990 /nfs/dbraw/zinc/98/79/90/371987990.db2.gz LHJKCPCQYAVDQS-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1cc(C2CC2)ccc1F ZINC000423144017 371989504 /nfs/dbraw/zinc/98/95/04/371989504.db2.gz FXPGCSVRQFHJKX-LBPRGKRZSA-N 1 3 264.388 3.310 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)C1CCC1 ZINC000423154988 371993815 /nfs/dbraw/zinc/99/38/15/371993815.db2.gz PWGCECOZHDTWLH-GFCCVEGCSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423162315 371996118 /nfs/dbraw/zinc/99/61/18/371996118.db2.gz PBQMCIKYCGEPOS-CHWSQXEVSA-N 1 3 296.405 3.345 20 0 CGADHO Cc1ccc(F)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423159226 371996558 /nfs/dbraw/zinc/99/65/58/371996558.db2.gz XPJQDOXNOCBUGE-JQHSSLGASA-N 1 3 290.426 3.187 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423164804 371998549 /nfs/dbraw/zinc/99/85/49/371998549.db2.gz AIHDUAQVKJDAOF-OCVGTWLNSA-N 1 3 260.425 3.142 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@H]2CCC[C@H]2CN)[C@@H]1c1ccccc1 ZINC000423167368 371999677 /nfs/dbraw/zinc/99/96/77/371999677.db2.gz DYMDOVYGJHIZSA-QAETUUGQSA-N 1 3 272.436 3.143 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC2CCC3(CC3)CC2)c2ccccc21 ZINC000423074181 371947625 /nfs/dbraw/zinc/94/76/25/371947625.db2.gz KWZBFWWWDOWHQU-JKSUJKDBSA-N 1 3 256.393 3.444 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1cc(F)c(Cl)cc1F ZINC000423084240 371954055 /nfs/dbraw/zinc/95/40/55/371954055.db2.gz HFRLUCQUKXABBN-VIFPVBQESA-N 1 3 276.758 3.225 20 0 CGADHO Cc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccccn2)cc1 ZINC000423087337 371954609 /nfs/dbraw/zinc/95/46/09/371954609.db2.gz PFHNGCSSKXGYMQ-MAUKXSAKSA-N 1 3 283.419 3.196 20 0 CGADHO Fc1ccccc1C[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000423189217 372016996 /nfs/dbraw/zinc/01/69/96/372016996.db2.gz QOBGDXWOLFJYIV-LJQANCHMSA-N 1 3 298.405 3.451 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000290553787 372017303 /nfs/dbraw/zinc/01/73/03/372017303.db2.gz RYPIMJGWMVLCRV-KBAYOESNSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000290553787 372017308 /nfs/dbraw/zinc/01/73/08/372017308.db2.gz RYPIMJGWMVLCRV-KBAYOESNSA-N 1 3 272.436 3.206 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000423396788 372059921 /nfs/dbraw/zinc/05/99/21/372059921.db2.gz SOMOXXOBSBEGBY-IJEWVQPXSA-N 1 3 262.372 3.063 20 0 CGADHO CNCCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423201460 372025117 /nfs/dbraw/zinc/02/51/17/372025117.db2.gz OUQZCFMRUXMQFB-HOCLYGCPSA-N 1 3 294.414 3.060 20 0 CGADHO C[NH2+]CCCN[C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000423201460 372025120 /nfs/dbraw/zinc/02/51/20/372025120.db2.gz OUQZCFMRUXMQFB-HOCLYGCPSA-N 1 3 294.414 3.060 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1C(C)(C)C1(C)C ZINC000423216500 372036183 /nfs/dbraw/zinc/03/61/83/372036183.db2.gz OPFSEJCCZJZCRG-RWMBFGLXSA-N 1 3 252.446 3.035 20 0 CGADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000423291120 372048551 /nfs/dbraw/zinc/04/85/51/372048551.db2.gz GVWGVXYBMKFZHO-LRDDRELGSA-N 1 3 270.376 3.467 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC)c1 ZINC000158125449 372054575 /nfs/dbraw/zinc/05/45/75/372054575.db2.gz PMLUWWKVVBARNJ-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(OC)c1 ZINC000158125449 372054581 /nfs/dbraw/zinc/05/45/81/372054581.db2.gz PMLUWWKVVBARNJ-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CCn1cc([C@H](C)NCCCC[NH+]2CCC(C)CC2)cn1 ZINC000158159048 372055366 /nfs/dbraw/zinc/05/53/66/372055366.db2.gz NSAOWOLTWBLNFC-INIZCTEOSA-N 1 3 292.471 3.066 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CN)c2ccccc12 ZINC000423173597 372004257 /nfs/dbraw/zinc/00/42/57/372004257.db2.gz ZHJVQDXMRGGFJO-KSSFIOAISA-N 1 3 268.404 3.365 20 0 CGADHO Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])c2ccccc12 ZINC000423173597 372004271 /nfs/dbraw/zinc/00/42/71/372004271.db2.gz ZHJVQDXMRGGFJO-KSSFIOAISA-N 1 3 268.404 3.365 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2c(F)cccc2F)CCC1 ZINC000423174383 372004339 /nfs/dbraw/zinc/00/43/39/372004339.db2.gz BZKNRZPQGZAQRV-NWDGAFQWSA-N 1 3 282.378 3.102 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423174383 372004348 /nfs/dbraw/zinc/00/43/48/372004348.db2.gz BZKNRZPQGZAQRV-NWDGAFQWSA-N 1 3 282.378 3.102 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CN)c2ccccc12 ZINC000423173595 372005205 /nfs/dbraw/zinc/00/52/05/372005205.db2.gz ZHJVQDXMRGGFJO-KBXCAEBGSA-N 1 3 268.404 3.365 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])c2ccccc12 ZINC000423173595 372005208 /nfs/dbraw/zinc/00/52/08/372005208.db2.gz ZHJVQDXMRGGFJO-KBXCAEBGSA-N 1 3 268.404 3.365 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000423176968 372007261 /nfs/dbraw/zinc/00/72/61/372007261.db2.gz GVJICRNHDYAIOW-XGUBFFRZSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000423179955 372009090 /nfs/dbraw/zinc/00/90/90/372009090.db2.gz NAMRFMJILQMSGH-CJNGLKHVSA-N 1 3 258.409 3.171 20 0 CGADHO c1c[nH]c([C@@H](NCCC[C@@H]2CCC[NH2+]2)C2CCCCC2)n1 ZINC000423483013 372068697 /nfs/dbraw/zinc/06/86/97/372068697.db2.gz PNGQQOKANCETRY-HOTGVXAUSA-N 1 3 290.455 3.153 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159027590 372100767 /nfs/dbraw/zinc/10/07/67/372100767.db2.gz HLAPITKTVASMFV-QZTJIDSGSA-N 1 3 272.436 3.381 20 0 CGADHO CC(C)[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159027590 372100772 /nfs/dbraw/zinc/10/07/72/372100772.db2.gz HLAPITKTVASMFV-QZTJIDSGSA-N 1 3 272.436 3.381 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000044725805 541873664 /nfs/dbraw/zinc/87/36/64/541873664.db2.gz KGWZFVCWUYLISE-CYBMUJFWSA-N 1 3 267.376 3.192 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2n1 ZINC000044725805 541873669 /nfs/dbraw/zinc/87/36/69/541873669.db2.gz KGWZFVCWUYLISE-CYBMUJFWSA-N 1 3 267.376 3.192 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000293341503 372359388 /nfs/dbraw/zinc/35/93/88/372359388.db2.gz GOOOOFPHBWKGSI-CHWSQXEVSA-N 1 3 266.454 3.257 20 0 CGADHO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000162138487 372376343 /nfs/dbraw/zinc/37/63/43/372376343.db2.gz XGZKEQMYYSALLU-INIZCTEOSA-N 1 3 290.455 3.039 20 0 CGADHO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000162138487 372376349 /nfs/dbraw/zinc/37/63/49/372376349.db2.gz XGZKEQMYYSALLU-INIZCTEOSA-N 1 3 290.455 3.039 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1cscn1 ZINC000162296363 372384978 /nfs/dbraw/zinc/38/49/78/372384978.db2.gz CYSXZTCZGFZHFP-QWHCGFSZSA-N 1 3 269.458 3.304 20 0 CGADHO Cc1cc(N[C@H]2CCCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000162785140 372420353 /nfs/dbraw/zinc/42/03/53/372420353.db2.gz JFFVQDOPAKAORW-SFHVURJKSA-N 1 3 281.403 3.467 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431015819 372416347 /nfs/dbraw/zinc/41/63/47/372416347.db2.gz XHZYHUNBGOBBCB-CYBMUJFWSA-N 1 3 278.827 3.477 20 0 CGADHO COCc1ccccc1/C=C(\C)CNC[C@H](C)C[NH+](C)C ZINC000431652484 372492496 /nfs/dbraw/zinc/49/24/96/372492496.db2.gz VEWIBQRUYKOJFA-KMPOOHAWSA-N 1 3 290.451 3.024 20 0 CGADHO COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](C)CN(C)C ZINC000431652484 372492506 /nfs/dbraw/zinc/49/25/06/372492506.db2.gz VEWIBQRUYKOJFA-KMPOOHAWSA-N 1 3 290.451 3.024 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519531 372552860 /nfs/dbraw/zinc/55/28/60/372552860.db2.gz MQJVPCPAUWQIPM-FVQBIDKESA-N 1 3 294.414 3.055 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000165519531 372552863 /nfs/dbraw/zinc/55/28/63/372552863.db2.gz MQJVPCPAUWQIPM-FVQBIDKESA-N 1 3 294.414 3.055 20 0 CGADHO CCN(Cc1ccc(SC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389558 372758837 /nfs/dbraw/zinc/75/88/37/372758837.db2.gz LNPNGCMROKKGIR-OAHLLOKOSA-N 1 3 278.465 3.373 20 0 CGADHO CCN(C/C=C\c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435389368 372758956 /nfs/dbraw/zinc/75/89/56/372758956.db2.gz KMJBFZDZDUKFRY-JEZWAEDTSA-N 1 3 258.409 3.164 20 0 CGADHO CCN(Cc1cccc(OC(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435392149 372759351 /nfs/dbraw/zinc/75/93/51/372759351.db2.gz GFSUTWQTJRZJJI-QGZVFWFLSA-N 1 3 290.451 3.438 20 0 CGADHO C[NH2+]CCCN(CC1CCC1)[C@H](C)c1ccccc1 ZINC000435877076 372822551 /nfs/dbraw/zinc/82/25/51/372822551.db2.gz NDFRIOXNQRHPQH-OAHLLOKOSA-N 1 3 260.425 3.459 20 0 CGADHO CNCCC[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000435877076 372822559 /nfs/dbraw/zinc/82/25/59/372822559.db2.gz NDFRIOXNQRHPQH-OAHLLOKOSA-N 1 3 260.425 3.459 20 0 CGADHO CNCCC[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000435877076 372822566 /nfs/dbraw/zinc/82/25/66/372822566.db2.gz NDFRIOXNQRHPQH-OAHLLOKOSA-N 1 3 260.425 3.459 20 0 CGADHO CN(Cc1cc2c(cccc2F)[nH]1)CC1CC[NH+](C)CC1 ZINC000438111670 372888717 /nfs/dbraw/zinc/88/87/17/372888717.db2.gz BACXHBLXLDVHDO-UHFFFAOYSA-N 1 3 289.398 3.081 20 0 CGADHO CN1CCC(C[N@H+](C)Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438111670 372888725 /nfs/dbraw/zinc/88/87/25/372888725.db2.gz BACXHBLXLDVHDO-UHFFFAOYSA-N 1 3 289.398 3.081 20 0 CGADHO CN1CCC(C[N@@H+](C)Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000438111670 372888737 /nfs/dbraw/zinc/88/87/37/372888737.db2.gz BACXHBLXLDVHDO-UHFFFAOYSA-N 1 3 289.398 3.081 20 0 CGADHO CC[C@@H]1CCN(CC(C)C[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000438476391 372959002 /nfs/dbraw/zinc/95/90/02/372959002.db2.gz FSPWHWVTBJUOEZ-HZPDHXFCSA-N 1 3 252.446 3.086 20 0 CGADHO CC[C@@H]1CCN(CC(C)C[N@H+]2CC[C@@H](CC)C2)C1 ZINC000438476391 372959011 /nfs/dbraw/zinc/95/90/11/372959011.db2.gz FSPWHWVTBJUOEZ-HZPDHXFCSA-N 1 3 252.446 3.086 20 0 CGADHO Cc1cnccc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000296325294 373091260 /nfs/dbraw/zinc/09/12/60/373091260.db2.gz HIFCPZIAIAZPNT-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1cnccc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000296325294 373091271 /nfs/dbraw/zinc/09/12/71/373091271.db2.gz HIFCPZIAIAZPNT-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO CCC1([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000296265197 373073346 /nfs/dbraw/zinc/07/33/46/373073346.db2.gz DKHJHDLTXVYMEC-CQSZACIVSA-N 1 3 276.424 3.220 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000173923771 373215562 /nfs/dbraw/zinc/21/55/62/373215562.db2.gz MTOCJPWEERAFTE-HOTGVXAUSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000173923771 373215567 /nfs/dbraw/zinc/21/55/67/373215567.db2.gz MTOCJPWEERAFTE-HOTGVXAUSA-N 1 3 290.451 3.186 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000174628307 373346150 /nfs/dbraw/zinc/34/61/50/373346150.db2.gz SGFNWHFWGFJJGS-DOMZBBRYSA-N 1 3 266.816 3.160 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327857 373681179 /nfs/dbraw/zinc/68/11/79/373681179.db2.gz DCVVLVLVUQDVBX-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327857 373681184 /nfs/dbraw/zinc/68/11/84/373681184.db2.gz DCVVLVLVUQDVBX-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000449359762 373684791 /nfs/dbraw/zinc/68/47/91/373684791.db2.gz RGUBFZVSCYXEDK-JZXOWHBKSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CCO)CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449359762 373684794 /nfs/dbraw/zinc/68/47/94/373684794.db2.gz RGUBFZVSCYXEDK-JZXOWHBKSA-N 1 3 296.499 3.028 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000450252463 374022914 /nfs/dbraw/zinc/02/29/14/374022914.db2.gz IGPMYXMXTUACSC-HOTGVXAUSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000450252463 374022921 /nfs/dbraw/zinc/02/29/21/374022921.db2.gz IGPMYXMXTUACSC-HOTGVXAUSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000450356844 374078757 /nfs/dbraw/zinc/07/87/57/374078757.db2.gz XOYXPOWEKQJILF-HIFRSBDPSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1ccc2nccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000450356844 374078763 /nfs/dbraw/zinc/07/87/63/374078763.db2.gz XOYXPOWEKQJILF-HIFRSBDPSA-N 1 3 283.419 3.114 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000450856189 374182465 /nfs/dbraw/zinc/18/24/65/374182465.db2.gz OOLMJMGYQIDXAR-MRXNPFEDSA-N 1 3 250.430 3.293 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000450856189 374182473 /nfs/dbraw/zinc/18/24/73/374182473.db2.gz OOLMJMGYQIDXAR-MRXNPFEDSA-N 1 3 250.430 3.293 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCC2=CCCCC2)CC1 ZINC000450856189 374182478 /nfs/dbraw/zinc/18/24/78/374182478.db2.gz OOLMJMGYQIDXAR-MRXNPFEDSA-N 1 3 250.430 3.293 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC000450472563 374153849 /nfs/dbraw/zinc/15/38/49/374153849.db2.gz LTPNHLBILLPFSA-DBEXCURXSA-N 1 3 272.436 3.364 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC000450472563 374153856 /nfs/dbraw/zinc/15/38/56/374153856.db2.gz LTPNHLBILLPFSA-DBEXCURXSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450472563 374153861 /nfs/dbraw/zinc/15/38/61/374153861.db2.gz LTPNHLBILLPFSA-DBEXCURXSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450472563 374153865 /nfs/dbraw/zinc/15/38/65/374153865.db2.gz LTPNHLBILLPFSA-DBEXCURXSA-N 1 3 272.436 3.364 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](c1cccs1)C1CCCC1 ZINC000310500276 374218492 /nfs/dbraw/zinc/21/84/92/374218492.db2.gz JBUFYOWHFSRIOF-RISCZKNCSA-N 1 3 252.427 3.164 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000310500276 374218498 /nfs/dbraw/zinc/21/84/98/374218498.db2.gz JBUFYOWHFSRIOF-RISCZKNCSA-N 1 3 252.427 3.164 20 0 CGADHO C1CC(C([NH2+][C@H]2CCN3CCC[C@H]3C2)C2CCC2)C1 ZINC000311689018 374253382 /nfs/dbraw/zinc/25/33/82/374253382.db2.gz OICRILGQQDFCTL-HOTGVXAUSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)CN1CCCCC1 ZINC000314661655 374321117 /nfs/dbraw/zinc/32/11/17/374321117.db2.gz ULWBFJFLYSBZHJ-IAGOWNOFSA-N 1 3 294.483 3.047 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183387139 374409294 /nfs/dbraw/zinc/40/92/94/374409294.db2.gz TYLNHFDHVPGMSW-ROUUACIJSA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccn1 ZINC000453369572 374455497 /nfs/dbraw/zinc/45/54/97/374455497.db2.gz VDLLDSXBCZGXRM-BTFYYFJDSA-N 1 3 273.424 3.138 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090115182 541955594 /nfs/dbraw/zinc/95/55/94/541955594.db2.gz JRVVWBWTISDDOV-YTQUADARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090115182 541955597 /nfs/dbraw/zinc/95/55/97/541955597.db2.gz JRVVWBWTISDDOV-YTQUADARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H]2CCN3CCC[C@@H]3C2)c1 ZINC000090115182 541955600 /nfs/dbraw/zinc/95/56/00/541955600.db2.gz JRVVWBWTISDDOV-YTQUADARSA-N 1 3 286.463 3.451 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(Cl)cc2Cl)C1 ZINC000093209828 541979414 /nfs/dbraw/zinc/97/94/14/541979414.db2.gz UOLSAIZWWMNTBD-STQMWFEESA-N 1 3 287.234 3.395 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC000093209828 541979419 /nfs/dbraw/zinc/97/94/19/541979419.db2.gz UOLSAIZWWMNTBD-STQMWFEESA-N 1 3 287.234 3.395 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H](N(C)C)CC2)cc2cccnc12 ZINC000334559537 374858836 /nfs/dbraw/zinc/85/88/36/374858836.db2.gz XXNXDVRTUUYZJR-GOSISDBHSA-N 1 3 297.446 3.459 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc2cccnc12 ZINC000334559537 374858842 /nfs/dbraw/zinc/85/88/42/374858842.db2.gz XXNXDVRTUUYZJR-GOSISDBHSA-N 1 3 297.446 3.459 20 0 CGADHO CCN(CC)CCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000472593151 375026324 /nfs/dbraw/zinc/02/63/24/375026324.db2.gz ZULQWWQYWAZTOG-BZUAXINKSA-N 1 3 252.446 3.371 20 0 CGADHO CCN(CC)CCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000472593151 375026329 /nfs/dbraw/zinc/02/63/29/375026329.db2.gz ZULQWWQYWAZTOG-BZUAXINKSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)[C@H](C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000474276543 375093394 /nfs/dbraw/zinc/09/33/94/375093394.db2.gz OGIGIMHYUFJWSE-OKZBNKHCSA-N 1 3 272.436 3.110 20 0 CGADHO CC(C)[C@H](C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000474276543 375093401 /nfs/dbraw/zinc/09/34/01/375093401.db2.gz OGIGIMHYUFJWSE-OKZBNKHCSA-N 1 3 272.436 3.110 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)C)C2)C1 ZINC000488451106 375309966 /nfs/dbraw/zinc/30/99/66/375309966.db2.gz UIXWOEBLYUQHHZ-ZACQAIPSSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CS[C@H](C(C)C)C2)C1 ZINC000488451106 375309974 /nfs/dbraw/zinc/30/99/74/375309974.db2.gz UIXWOEBLYUQHHZ-ZACQAIPSSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CS[C@H](C(C)C)C2)C1 ZINC000488451106 375309979 /nfs/dbraw/zinc/30/99/79/375309979.db2.gz UIXWOEBLYUQHHZ-ZACQAIPSSA-N 1 3 298.540 3.474 20 0 CGADHO C[C@H]1C[C@H](N(C)CCSCc2ccccc2)CC[N@@H+]1C ZINC000190052560 375472808 /nfs/dbraw/zinc/47/28/08/375472808.db2.gz IDSFYSZCIFVSOC-DOTOQJQBSA-N 1 3 292.492 3.334 20 0 CGADHO C[C@H]1C[C@H](N(C)CCSCc2ccccc2)CC[N@H+]1C ZINC000190052560 375472814 /nfs/dbraw/zinc/47/28/14/375472814.db2.gz IDSFYSZCIFVSOC-DOTOQJQBSA-N 1 3 292.492 3.334 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000116386623 542004200 /nfs/dbraw/zinc/00/42/00/542004200.db2.gz AEAOOEWDQAUZLQ-ZWKOTPCHSA-N 1 3 274.452 3.328 20 0 CGADHO CCC[NH+]1CCC(NC[C@H](C)c2nc(C)cs2)CC1 ZINC000120494142 542010537 /nfs/dbraw/zinc/01/05/37/542010537.db2.gz FIGFKSSUXOHRCU-LBPRGKRZSA-N 1 3 281.469 3.019 20 0 CGADHO C[NH+](C)CC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000506944929 375668867 /nfs/dbraw/zinc/66/88/67/375668867.db2.gz VZKNPHCEBIPMGF-ONEGZZNKSA-N 1 3 276.399 3.113 20 0 CGADHO Cc1c[nH+]ccc1NCC1(N2CCSCC2)CCCC1 ZINC000192494280 375758070 /nfs/dbraw/zinc/75/80/70/375758070.db2.gz ZOZMNWGAFSMIHD-UHFFFAOYSA-N 1 3 291.464 3.164 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CCCN1CCC(C)CC1 ZINC000128590979 542052252 /nfs/dbraw/zinc/05/22/52/542052252.db2.gz BUCOCRAIYWBKAM-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO COc1cccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000519411379 375837720 /nfs/dbraw/zinc/83/77/20/375837720.db2.gz DHAPWZQRAXBSPP-CQSZACIVSA-N 1 3 296.414 3.192 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000520406631 375853751 /nfs/dbraw/zinc/85/37/51/375853751.db2.gz OAOWMTSDKYQZSC-GRYCIOLGSA-N 1 3 299.256 3.268 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)c1cccc(Br)c1 ZINC000520406631 375853753 /nfs/dbraw/zinc/85/37/53/375853753.db2.gz OAOWMTSDKYQZSC-GRYCIOLGSA-N 1 3 299.256 3.268 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000336812611 375965231 /nfs/dbraw/zinc/96/52/31/375965231.db2.gz AQNREYIQIVJGBM-YOEHRIQHSA-N 1 3 262.441 3.487 20 0 CGADHO CCc1ccc([C@H](CC)NC[C@H](C)C[NH+](C)C)cc1 ZINC000336812611 375965237 /nfs/dbraw/zinc/96/52/37/375965237.db2.gz AQNREYIQIVJGBM-YOEHRIQHSA-N 1 3 262.441 3.487 20 0 CGADHO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946627 376136268 /nfs/dbraw/zinc/13/62/68/376136268.db2.gz GFNUYTHTQUAAFU-KBXCAEBGSA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211946627 376136273 /nfs/dbraw/zinc/13/62/73/376136273.db2.gz GFNUYTHTQUAAFU-KBXCAEBGSA-N 1 3 272.436 3.343 20 0 CGADHO CCCC[N@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000211947844 376136369 /nfs/dbraw/zinc/13/63/69/376136369.db2.gz OJLRDUJLAHDXAM-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO CCCC[N@@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000211947844 376136374 /nfs/dbraw/zinc/13/63/74/376136374.db2.gz OJLRDUJLAHDXAM-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)ccn1 ZINC000338002006 376253837 /nfs/dbraw/zinc/25/38/37/376253837.db2.gz RGCWEWOCKYBFET-RBUKOAKNSA-N 1 3 299.462 3.466 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000226332090 376353439 /nfs/dbraw/zinc/35/34/39/376353439.db2.gz BVURVCWMNAWNMW-HLLBOEOZSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@@H]([C@H](C)N)C1)c1ccccc1 ZINC000226332090 376353445 /nfs/dbraw/zinc/35/34/45/376353445.db2.gz BVURVCWMNAWNMW-HLLBOEOZSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CCN1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000226332090 376353448 /nfs/dbraw/zinc/35/34/48/376353448.db2.gz BVURVCWMNAWNMW-HLLBOEOZSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[N@H+](C[C@H]1CCCNC1)[C@@H]1CCc2ccccc2C1 ZINC000226437107 376360318 /nfs/dbraw/zinc/36/03/18/376360318.db2.gz JLMNWUGQNMAHIO-QFBILLFUSA-N 1 3 286.463 3.256 20 0 CGADHO CCC[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCc2ccccc2C1 ZINC000226437107 376360325 /nfs/dbraw/zinc/36/03/25/376360325.db2.gz JLMNWUGQNMAHIO-QFBILLFUSA-N 1 3 286.463 3.256 20 0 CGADHO CC(C)CCC[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000338429155 376372488 /nfs/dbraw/zinc/37/24/88/376372488.db2.gz DKUSZIVLPBYFLL-UHFFFAOYSA-N 1 3 278.440 3.153 20 0 CGADHO CCC[C@H](C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000540505253 376378481 /nfs/dbraw/zinc/37/84/81/376378481.db2.gz QIGQXXYUJZUTQX-FGTMMUONSA-N 1 3 272.436 3.254 20 0 CGADHO CCC[C@H](C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)c1ccccc1 ZINC000540505253 376378486 /nfs/dbraw/zinc/37/84/86/376378486.db2.gz QIGQXXYUJZUTQX-FGTMMUONSA-N 1 3 272.436 3.254 20 0 CGADHO Cc1cc(C)c(CN(C)[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000234311356 376615639 /nfs/dbraw/zinc/61/56/39/376615639.db2.gz AFGUMKSMJVHYRM-MRXNPFEDSA-N 1 3 260.425 3.186 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000339068108 376658122 /nfs/dbraw/zinc/65/81/22/376658122.db2.gz NZKYKNRFMICNSP-HOTGVXAUSA-N 1 3 288.435 3.060 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000339068108 376658126 /nfs/dbraw/zinc/65/81/26/376658126.db2.gz NZKYKNRFMICNSP-HOTGVXAUSA-N 1 3 288.435 3.060 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000339068109 376658384 /nfs/dbraw/zinc/65/83/84/376658384.db2.gz NZKYKNRFMICNSP-HZPDHXFCSA-N 1 3 288.435 3.060 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000339068109 376658389 /nfs/dbraw/zinc/65/83/89/376658389.db2.gz NZKYKNRFMICNSP-HZPDHXFCSA-N 1 3 288.435 3.060 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449113 376819428 /nfs/dbraw/zinc/81/94/28/376819428.db2.gz NKGAWFQNIYFSJW-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000245449113 376819431 /nfs/dbraw/zinc/81/94/31/376819431.db2.gz NKGAWFQNIYFSJW-HZPDHXFCSA-N 1 3 260.425 3.330 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000556939315 376908639 /nfs/dbraw/zinc/90/86/39/376908639.db2.gz TZZRHSXODMAHBC-UGUYLWEFSA-N 1 3 252.446 3.451 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245849113 376918762 /nfs/dbraw/zinc/91/87/62/376918762.db2.gz GAMYJLIFUVSDMP-BRWVUGGUSA-N 1 3 296.499 3.292 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942448 376941090 /nfs/dbraw/zinc/94/10/90/376941090.db2.gz AYFNRPQKKFQDLL-YJBOKZPZSA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942448 376941102 /nfs/dbraw/zinc/94/11/02/376941102.db2.gz AYFNRPQKKFQDLL-YJBOKZPZSA-N 1 3 290.451 3.324 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(OC)cc2)C(C)C)C1 ZINC000245942448 376941107 /nfs/dbraw/zinc/94/11/07/376941107.db2.gz AYFNRPQKKFQDLL-YJBOKZPZSA-N 1 3 290.451 3.324 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000246024748 376954217 /nfs/dbraw/zinc/95/42/17/376954217.db2.gz WOWUGHGCRGNACZ-UGUYLWEFSA-N 1 3 250.430 3.172 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000246046864 376956348 /nfs/dbraw/zinc/95/63/48/376956348.db2.gz XRYFCPHCBKXVPO-HDMKZQKVSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000246046864 376956354 /nfs/dbraw/zinc/95/63/54/376956354.db2.gz XRYFCPHCBKXVPO-HDMKZQKVSA-N 1 3 272.436 3.160 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2c3cc(C)ccc3C[C@@H]2C)C1 ZINC000246046864 376956365 /nfs/dbraw/zinc/95/63/65/376956365.db2.gz XRYFCPHCBKXVPO-HDMKZQKVSA-N 1 3 272.436 3.160 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000557904950 376963406 /nfs/dbraw/zinc/96/34/06/376963406.db2.gz KWPNVELAELQZJK-HUUCEWRRSA-N 1 3 278.415 3.249 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCCN(C2CCC2)C1 ZINC000558695487 377032773 /nfs/dbraw/zinc/03/27/73/377032773.db2.gz MULQKCVOURPMFD-DTJSUFBGSA-N 1 3 276.468 3.418 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000246985257 377131305 /nfs/dbraw/zinc/13/13/05/377131305.db2.gz JYYPVGHCVZSCFT-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000246985257 377131307 /nfs/dbraw/zinc/13/13/07/377131307.db2.gz JYYPVGHCVZSCFT-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000246985257 377131309 /nfs/dbraw/zinc/13/13/09/377131309.db2.gz JYYPVGHCVZSCFT-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Sc1ccccc1 ZINC000247214244 377175946 /nfs/dbraw/zinc/17/59/46/377175946.db2.gz VZJCGQFUQPMVAJ-KLZNWCGWSA-N 1 3 292.492 3.486 20 0 CGADHO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)Sc1ccccc1 ZINC000247214244 377175954 /nfs/dbraw/zinc/17/59/54/377175954.db2.gz VZJCGQFUQPMVAJ-KLZNWCGWSA-N 1 3 292.492 3.486 20 0 CGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CCC2)C1 ZINC000247246286 377183802 /nfs/dbraw/zinc/18/38/02/377183802.db2.gz DRPXSHYOKYJIBM-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CCC2)C1 ZINC000247246286 377183811 /nfs/dbraw/zinc/18/38/11/377183811.db2.gz DRPXSHYOKYJIBM-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000247246286 377183820 /nfs/dbraw/zinc/18/38/20/377183820.db2.gz DRPXSHYOKYJIBM-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000247246286 377183828 /nfs/dbraw/zinc/18/38/28/377183828.db2.gz DRPXSHYOKYJIBM-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886592 377243781 /nfs/dbraw/zinc/24/37/81/377243781.db2.gz DHCAHSVGFRNDTL-DOTOQJQBSA-N 1 3 290.476 3.195 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCSc3ccccc3)CC[C@H]21 ZINC000247886592 377243788 /nfs/dbraw/zinc/24/37/88/377243788.db2.gz DHCAHSVGFRNDTL-DOTOQJQBSA-N 1 3 290.476 3.195 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248155176 377272426 /nfs/dbraw/zinc/27/24/26/377272426.db2.gz RHQDHZSOXILJPM-HYVNUMGLSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248155176 377272433 /nfs/dbraw/zinc/27/24/33/377272433.db2.gz RHQDHZSOXILJPM-HYVNUMGLSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248155176 377272435 /nfs/dbraw/zinc/27/24/35/377272435.db2.gz RHQDHZSOXILJPM-HYVNUMGLSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248155176 377272440 /nfs/dbraw/zinc/27/24/40/377272440.db2.gz RHQDHZSOXILJPM-HYVNUMGLSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H]([NH2+][C@@H]1C=CCCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248614673 377365289 /nfs/dbraw/zinc/36/52/89/377365289.db2.gz YOMDBWMBNXTHSF-ARFHVFGLSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@@H]1C=CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248614673 377365294 /nfs/dbraw/zinc/36/52/94/377365294.db2.gz YOMDBWMBNXTHSF-ARFHVFGLSA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](N[C@@H]1C=CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248614673 377365296 /nfs/dbraw/zinc/36/52/96/377365296.db2.gz YOMDBWMBNXTHSF-ARFHVFGLSA-N 1 3 262.441 3.338 20 0 CGADHO Cc1cccc(C)c1[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562960390 377379099 /nfs/dbraw/zinc/37/90/99/377379099.db2.gz POYBFYKDTPRNBE-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000562960390 377379110 /nfs/dbraw/zinc/37/91/10/377379110.db2.gz POYBFYKDTPRNBE-OWCLPIDISA-N 1 3 260.425 3.342 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000563443558 377467495 /nfs/dbraw/zinc/46/74/95/377467495.db2.gz URRJPVVGXBKFDO-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000037644399 249003162 /nfs/dbraw/zinc/00/31/62/249003162.db2.gz AMUXVXMMEHJZJV-AWEZNQCLSA-N 1 3 286.419 3.427 20 0 CGADHO Cc1cccc([C@H](C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166685065 542175428 /nfs/dbraw/zinc/17/54/28/542175428.db2.gz NQCIDWMUFCHNSV-BPQIPLTHSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1cccc([C@H](C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166685065 542175433 /nfs/dbraw/zinc/17/54/33/542175433.db2.gz NQCIDWMUFCHNSV-BPQIPLTHSA-N 1 3 272.436 3.315 20 0 CGADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1cccc(F)c1 ZINC000275901125 249066712 /nfs/dbraw/zinc/06/67/12/249066712.db2.gz SEWSFZJXGRZDOB-MRXNPFEDSA-N 1 3 262.372 3.128 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905370 249127608 /nfs/dbraw/zinc/12/76/08/249127608.db2.gz ICXQTMMTBXPDGA-GOEBONIOSA-N 1 3 290.476 3.289 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905370 249127610 /nfs/dbraw/zinc/12/76/10/249127610.db2.gz ICXQTMMTBXPDGA-GOEBONIOSA-N 1 3 290.476 3.289 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549061 249156056 /nfs/dbraw/zinc/15/60/56/249156056.db2.gz CIJRXKPCMNKBFB-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2CCc2ccc(Cl)cc2)C1 ZINC000459549061 249156058 /nfs/dbraw/zinc/15/60/58/249156058.db2.gz CIJRXKPCMNKBFB-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549061 249156060 /nfs/dbraw/zinc/15/60/60/249156060.db2.gz CIJRXKPCMNKBFB-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2CCc2ccc(Cl)cc2)C1 ZINC000459549061 249156061 /nfs/dbraw/zinc/15/60/61/249156061.db2.gz CIJRXKPCMNKBFB-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000250566980 377562652 /nfs/dbraw/zinc/56/26/52/377562652.db2.gz FAHWDGOYZCXIOZ-CABCVRRESA-N 1 3 260.425 3.412 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000250630601 377563789 /nfs/dbraw/zinc/56/37/89/377563789.db2.gz KCCRCVXFHTVWNA-QRTARXTBSA-N 1 3 276.424 3.253 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)C1 ZINC000514615331 249183035 /nfs/dbraw/zinc/18/30/35/249183035.db2.gz TZQZBVNWLIRYIM-CABCVRRESA-N 1 3 289.398 3.099 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000514760689 249187528 /nfs/dbraw/zinc/18/75/28/249187528.db2.gz UADKSNGBFLYBKR-OIISXLGYSA-N 1 3 264.457 3.300 20 0 CGADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCCS1 ZINC000250798992 377566273 /nfs/dbraw/zinc/56/62/73/377566273.db2.gz BCXCWFVVKLAXJN-QKPAOTATSA-N 1 3 282.497 3.173 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CCCCS1 ZINC000250798992 377566282 /nfs/dbraw/zinc/56/62/82/377566282.db2.gz BCXCWFVVKLAXJN-QKPAOTATSA-N 1 3 282.497 3.173 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000518514625 249282181 /nfs/dbraw/zinc/28/21/81/249282181.db2.gz BOIXXDZHCWPSCR-YRGRVCCFSA-N 1 3 250.386 3.010 20 0 CGADHO C[C@H]1CCC[C@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000251859882 377600856 /nfs/dbraw/zinc/60/08/56/377600856.db2.gz PTMSPQZMIRBYLN-WDFJATGCSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C[C@H]1C ZINC000251986333 377608992 /nfs/dbraw/zinc/60/89/92/377608992.db2.gz ZBCPGQMLTRFKHV-INMHGKMJSA-N 1 3 287.451 3.465 20 0 CGADHO CCCOc1cccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252872984 377666773 /nfs/dbraw/zinc/66/67/73/377666773.db2.gz UKHWHEZEZJEBLL-SZMVWBNQSA-N 1 3 288.435 3.035 20 0 CGADHO C[C@H](c1ccccc1F)N(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261572260 377819126 /nfs/dbraw/zinc/81/91/26/377819126.db2.gz SKHGYSVYSZMFPO-MCIONIFRSA-N 1 3 264.388 3.207 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261615014 377828685 /nfs/dbraw/zinc/82/86/85/377828685.db2.gz FNDHTALWBMYKOS-SFHVURJKSA-N 1 3 284.403 3.019 20 0 CGADHO CCN(CCSCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262032147 377880653 /nfs/dbraw/zinc/88/06/53/377880653.db2.gz XFJLIFSCDOJCLV-QGZVFWFLSA-N 1 3 292.492 3.384 20 0 CGADHO CCO[C@@H]1C[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)C12CCCCC2 ZINC000262033415 377881521 /nfs/dbraw/zinc/88/15/21/377881521.db2.gz OGZZFUWLTOEPDZ-ZACQAIPSSA-N 1 3 294.483 3.046 20 0 CGADHO CCN(C[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccsc1 ZINC000262037094 377882742 /nfs/dbraw/zinc/88/27/42/377882742.db2.gz XVOFWQUSLQERTP-HIFRSBDPSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@H+](C[C@H]1CCCNC1)[C@H](C)Cc1ccsc1 ZINC000262037094 377882750 /nfs/dbraw/zinc/88/27/50/377882750.db2.gz XVOFWQUSLQERTP-HIFRSBDPSA-N 1 3 266.454 3.001 20 0 CGADHO CC[N@@H+](C[C@H]1CCCNC1)[C@H](C)Cc1ccsc1 ZINC000262037094 377882755 /nfs/dbraw/zinc/88/27/55/377882755.db2.gz XVOFWQUSLQERTP-HIFRSBDPSA-N 1 3 266.454 3.001 20 0 CGADHO Cc1ccc(C[C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000262097160 377886919 /nfs/dbraw/zinc/88/69/19/377886919.db2.gz VICGYWKGQYJYJQ-ROUUACIJSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccc([C@@H]2C[C@@H](C)N(C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137846 377887923 /nfs/dbraw/zinc/88/79/23/377887923.db2.gz YVRSZWJOVXFUAM-KBAYOESNSA-N 1 3 272.436 3.172 20 0 CGADHO C[C@]1(CN2CCC[C@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134574 377888565 /nfs/dbraw/zinc/88/85/65/377888565.db2.gz YNNUPRHALFCUOM-YJBOKZPZSA-N 1 3 290.426 3.395 20 0 CGADHO Cc1cc(F)cc([C@@]2(F)CCN(CC3CC[NH2+]CC3)C2)c1 ZINC000261797860 377855730 /nfs/dbraw/zinc/85/57/30/377855730.db2.gz OXXLSEOKXAREOJ-QGZVFWFLSA-N 1 3 294.389 3.004 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccncc2)CC1 ZINC000266046218 190226039 /nfs/dbraw/zinc/22/60/39/190226039.db2.gz XQGBRDXRORQDMR-UHFFFAOYSA-N 1 3 275.440 3.026 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccncc2)CC1 ZINC000266046218 190226040 /nfs/dbraw/zinc/22/60/40/190226040.db2.gz XQGBRDXRORQDMR-UHFFFAOYSA-N 1 3 275.440 3.026 20 0 CGADHO Cc1cc2cc(CNCC3=CC[N@H+](C)CC3)oc2cc1C ZINC000345168510 378212118 /nfs/dbraw/zinc/21/21/18/378212118.db2.gz FNANJJCHWBDJMY-UHFFFAOYSA-N 1 3 284.403 3.401 20 0 CGADHO Cc1cc2cc(CNCC3=CC[N@@H+](C)CC3)oc2cc1C ZINC000345168510 378212121 /nfs/dbraw/zinc/21/21/21/378212121.db2.gz FNANJJCHWBDJMY-UHFFFAOYSA-N 1 3 284.403 3.401 20 0 CGADHO CCN(Cc1cc(C)ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000345185610 378217383 /nfs/dbraw/zinc/21/73/83/378217383.db2.gz DBXJDQLLTVOEKC-KRWDZBQOSA-N 1 3 260.425 3.267 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000579461642 378162579 /nfs/dbraw/zinc/16/25/79/378162579.db2.gz LPHXABDLJPKWCD-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO [NH3+]CCCCNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000579686953 378183184 /nfs/dbraw/zinc/18/31/84/378183184.db2.gz GFNUGJIURTXQFL-UHFFFAOYSA-N 1 3 295.839 3.292 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903818 378266682 /nfs/dbraw/zinc/26/66/82/378266682.db2.gz YAKQCZYSURKBQU-HNKHHVNMSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000580903818 378266688 /nfs/dbraw/zinc/26/66/88/378266688.db2.gz YAKQCZYSURKBQU-HNKHHVNMSA-N 1 3 278.827 3.446 20 0 CGADHO CC(C)Oc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000582116341 378287494 /nfs/dbraw/zinc/28/74/94/378287494.db2.gz WULZRPHDUKDWTR-ZWKOTPCHSA-N 1 3 290.451 3.266 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000582327897 378305099 /nfs/dbraw/zinc/30/50/99/378305099.db2.gz CDMVSAHLXKFIEB-XJKSGUPXSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000582327897 378305103 /nfs/dbraw/zinc/30/51/03/378305103.db2.gz CDMVSAHLXKFIEB-XJKSGUPXSA-N 1 3 280.843 3.420 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)CC1 ZINC000584447488 378385232 /nfs/dbraw/zinc/38/52/32/378385232.db2.gz XFRODSPQVNJRAD-MRXNPFEDSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC000584447488 378385237 /nfs/dbraw/zinc/38/52/37/378385237.db2.gz XFRODSPQVNJRAD-MRXNPFEDSA-N 1 3 283.419 3.151 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181770 378474256 /nfs/dbraw/zinc/47/42/56/378474256.db2.gz HXWJPZBGFYRCAR-RHSMWYFYSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)[C@H](C)C1 ZINC000271181770 378474261 /nfs/dbraw/zinc/47/42/61/378474261.db2.gz HXWJPZBGFYRCAR-RHSMWYFYSA-N 1 3 285.435 3.330 20 0 CGADHO Cc1cccc([C@H](C)[NH2+]CC2=CCN(C)CC2)c1C ZINC000271811109 378506847 /nfs/dbraw/zinc/50/68/47/378506847.db2.gz AURMGRXDZNXLLL-HNNXBMFYSA-N 1 3 258.409 3.216 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000271952744 378529096 /nfs/dbraw/zinc/52/90/96/378529096.db2.gz DYCXYUVXUXGJEW-RRENTHDGSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000271952744 378529099 /nfs/dbraw/zinc/52/90/99/378529099.db2.gz DYCXYUVXUXGJEW-RRENTHDGSA-N 1 3 284.447 3.323 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)[C@H]2CCCO2)c1 ZINC000346493079 378595449 /nfs/dbraw/zinc/59/54/49/378595449.db2.gz PJXWXXFTIZBXAT-CRAIPNDOSA-N 1 3 290.451 3.186 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)[C@@H]2CCCO2)c1 ZINC000346493085 378595896 /nfs/dbraw/zinc/59/58/96/378595896.db2.gz PJXWXXFTIZBXAT-QAPCUYQASA-N 1 3 290.451 3.186 20 0 CGADHO CC(C)CCOc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346648255 378661180 /nfs/dbraw/zinc/66/11/80/378661180.db2.gz PDEIPAINBYCVKU-NVXWUHKLSA-N 1 3 290.451 3.281 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1CCC(C[NH3+])CC1 ZINC000346683865 378674248 /nfs/dbraw/zinc/67/42/48/378674248.db2.gz FYOWUNYACOCRJE-UHFFFAOYSA-N 1 3 266.816 3.128 20 0 CGADHO CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272605901 378674479 /nfs/dbraw/zinc/67/44/79/378674479.db2.gz ZEQUHLRPTDKMHW-WMZOPIPTSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272605901 378674485 /nfs/dbraw/zinc/67/44/85/378674485.db2.gz ZEQUHLRPTDKMHW-WMZOPIPTSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272605901 378674491 /nfs/dbraw/zinc/67/44/91/378674491.db2.gz ZEQUHLRPTDKMHW-WMZOPIPTSA-N 1 3 272.436 3.453 20 0 CGADHO COc1ccc([C@@H](C)CN(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346693749 378678493 /nfs/dbraw/zinc/67/84/93/378678493.db2.gz PKSPOXKADWFNSE-YOEHRIQHSA-N 1 3 278.440 3.104 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346849980 378695165 /nfs/dbraw/zinc/69/51/65/378695165.db2.gz HIOSRQXLPQAOPN-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346849980 378695171 /nfs/dbraw/zinc/69/51/71/378695171.db2.gz HIOSRQXLPQAOPN-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346849980 378695176 /nfs/dbraw/zinc/69/51/76/378695176.db2.gz HIOSRQXLPQAOPN-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO CC1CC[NH+](CCCCNCc2cccc(F)c2N)CC1 ZINC000638372485 378782577 /nfs/dbraw/zinc/78/25/77/378782577.db2.gz WYWAQSQWSVPBRO-UHFFFAOYSA-N 1 3 293.430 3.010 20 0 CGADHO CC[NH+](CC)Cc1cccc(CNC[C@H](OC)C2CC2)c1 ZINC000638382141 378785721 /nfs/dbraw/zinc/78/57/21/378785721.db2.gz SLTLGBRNUYJOHW-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@](C)(c2ccccc2)C1 ZINC000348254449 378865856 /nfs/dbraw/zinc/86/58/56/378865856.db2.gz DYZUJMMSFREYDG-MSOLQXFVSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@](C)(c2ccccc2)C1 ZINC000348254449 378865862 /nfs/dbraw/zinc/86/58/62/378865862.db2.gz DYZUJMMSFREYDG-MSOLQXFVSA-N 1 3 272.436 3.134 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638566154 378837224 /nfs/dbraw/zinc/83/72/24/378837224.db2.gz CABMGVOAHSHWJQ-VQHPVUNQSA-N 1 3 264.457 3.133 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278522567 194025987 /nfs/dbraw/zinc/02/59/87/194025987.db2.gz MYELPIZGKJFIFA-SJORKVTESA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278522567 194025989 /nfs/dbraw/zinc/02/59/89/194025989.db2.gz MYELPIZGKJFIFA-SJORKVTESA-N 1 3 290.451 3.147 20 0 CGADHO c1ccc(C2(NC[C@@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000346985606 218079311 /nfs/dbraw/zinc/07/93/11/218079311.db2.gz PNBMDHPZMCUKGL-OAHLLOKOSA-N 1 3 258.409 3.045 20 0 CGADHO c1ccc(C2([NH2+]C[C@@H]3CCCNC3)CCCC2)cc1 ZINC000346985606 218079314 /nfs/dbraw/zinc/07/93/14/218079314.db2.gz PNBMDHPZMCUKGL-OAHLLOKOSA-N 1 3 258.409 3.045 20 0 CGADHO Cc1cc(NC2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000274867903 378909657 /nfs/dbraw/zinc/90/96/57/378909657.db2.gz FDWWIJRREYAXEM-UHFFFAOYSA-N 1 3 259.397 3.209 20 0 CGADHO Clc1ccc([C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346990768 218080925 /nfs/dbraw/zinc/08/09/25/218080925.db2.gz SPXQCTCMXRLQAL-UKRRQHHQSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346990768 218080927 /nfs/dbraw/zinc/08/09/27/218080927.db2.gz SPXQCTCMXRLQAL-UKRRQHHQSA-N 1 3 278.827 3.129 20 0 CGADHO Clc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000346990768 218080929 /nfs/dbraw/zinc/08/09/29/218080929.db2.gz SPXQCTCMXRLQAL-UKRRQHHQSA-N 1 3 278.827 3.129 20 0 CGADHO CCCCOc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347031692 218098777 /nfs/dbraw/zinc/09/87/77/218098777.db2.gz AJQLTZRBCOSQGX-HNNXBMFYSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@H]([NH3+])C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000347098685 218121245 /nfs/dbraw/zinc/12/12/45/218121245.db2.gz JKXAGHAMZHQJEG-AWEZNQCLSA-N 1 3 288.435 3.035 20 0 CGADHO COc1ccccc1CCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277037976 379050112 /nfs/dbraw/zinc/05/01/12/379050112.db2.gz BOPOGYMNSXRDMY-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO COc1ccccc1CCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277037976 379050117 /nfs/dbraw/zinc/05/01/17/379050117.db2.gz BOPOGYMNSXRDMY-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO C[C@H](NC1CC(F)(F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000277108197 379070701 /nfs/dbraw/zinc/07/07/01/379070701.db2.gz MFGDUKKJRVQTGI-LBPRGKRZSA-N 1 3 298.377 3.075 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1nc2ccccc2o1 ZINC000639232025 379174933 /nfs/dbraw/zinc/17/49/33/379174933.db2.gz YSZTZDLZCXZNPV-UHFFFAOYSA-N 1 3 275.396 3.038 20 0 CGADHO C[N@H+](CCCN[C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318468 379419987 /nfs/dbraw/zinc/41/99/87/379419987.db2.gz XYZYMEDIMADQPS-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318468 379419994 /nfs/dbraw/zinc/41/99/94/379419994.db2.gz XYZYMEDIMADQPS-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO CN(CCC[NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000374318468 379419995 /nfs/dbraw/zinc/41/99/95/379419995.db2.gz XYZYMEDIMADQPS-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000279851674 379534392 /nfs/dbraw/zinc/53/43/92/379534392.db2.gz RVZDCWZZOOCCTN-KRWDZBQOSA-N 1 3 276.399 3.277 20 0 CGADHO CN(Cc1ccccc1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377697681 379725658 /nfs/dbraw/zinc/72/56/58/379725658.db2.gz OOPHNUYOCSMJBG-UHFFFAOYSA-N 1 3 299.393 3.322 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000351577752 379729845 /nfs/dbraw/zinc/72/98/45/379729845.db2.gz FVUDUQLYABQCAM-MSOLQXFVSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCc1ccncc1 ZINC000351577752 379729853 /nfs/dbraw/zinc/72/98/53/379729853.db2.gz FVUDUQLYABQCAM-MSOLQXFVSA-N 1 3 289.467 3.114 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1cccc(-c2cccnc2)c1 ZINC000352526703 379844630 /nfs/dbraw/zinc/84/46/30/379844630.db2.gz QUNAXCXQLWWWCD-IBGZPJMESA-N 1 3 295.430 3.452 20 0 CGADHO COc1ccc([C@H](C)C[N@@H+]2CCCC[C@H]2CCN)cc1 ZINC000352535228 379846387 /nfs/dbraw/zinc/84/63/87/379846387.db2.gz OADVVVLZNWBCFG-ZBFHGGJFSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@H](C)C[N@H+]2CCCC[C@H]2CCN)cc1 ZINC000352535228 379846393 /nfs/dbraw/zinc/84/63/93/379846393.db2.gz OADVVVLZNWBCFG-ZBFHGGJFSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccc([C@H](C)CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352535228 379846398 /nfs/dbraw/zinc/84/63/98/379846398.db2.gz OADVVVLZNWBCFG-ZBFHGGJFSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000392204295 379910388 /nfs/dbraw/zinc/91/03/88/379910388.db2.gz LSGZMSMORVTKKU-OAHLLOKOSA-N 1 3 258.409 3.216 20 0 CGADHO COCCCN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352838487 379993113 /nfs/dbraw/zinc/99/31/13/379993113.db2.gz KIDGSRYGYPMQGD-UHFFFAOYSA-N 1 3 292.467 3.113 20 0 CGADHO COCCCN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352838487 379993117 /nfs/dbraw/zinc/99/31/17/379993117.db2.gz KIDGSRYGYPMQGD-UHFFFAOYSA-N 1 3 292.467 3.113 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643502851 380326458 /nfs/dbraw/zinc/32/64/58/380326458.db2.gz TYWGLJAJPHWHND-IKGGRYGDSA-N 1 3 287.451 3.148 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000643512074 380334024 /nfs/dbraw/zinc/33/40/24/380334024.db2.gz HZCSZEIMLDMGSF-GUTXKFCHSA-N 1 3 266.454 3.176 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(-c2ccccc2)cc1 ZINC000643467715 380315380 /nfs/dbraw/zinc/31/53/80/380315380.db2.gz WZRBGULHFKXRFI-RTBURBONSA-N 1 3 280.415 3.366 20 0 CGADHO c1ccc2c(c1)CCC([NH2+][C@H]1CCNC3(CCC3)C1)CC2 ZINC000643548978 380366961 /nfs/dbraw/zinc/36/69/61/380366961.db2.gz YLSBQKCAVDWLPO-SFHVURJKSA-N 1 3 284.447 3.198 20 0 CGADHO CCCOc1cccc(CN(CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000414708396 380383565 /nfs/dbraw/zinc/38/35/65/380383565.db2.gz CRNBZWYEYAJKJS-QGZVFWFLSA-N 1 3 290.451 3.439 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000643524188 380341065 /nfs/dbraw/zinc/34/10/65/380341065.db2.gz UTMUZBOEMXFNLK-DLOVCJGASA-N 1 3 270.779 3.400 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000643526685 380342288 /nfs/dbraw/zinc/34/22/88/380342288.db2.gz DRZWMJMQJSCSRL-DYVFJYSZSA-N 1 3 272.367 3.046 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000643534604 380349920 /nfs/dbraw/zinc/34/99/20/380349920.db2.gz YSCOVUZHCLCLGJ-HZMBPMFUSA-N 1 3 282.790 3.272 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(F)c1 ZINC000643535699 380352709 /nfs/dbraw/zinc/35/27/09/380352709.db2.gz OSMCLTDEZWXIGO-IINYFYTJSA-N 1 3 282.790 3.272 20 0 CGADHO Cc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)ccc1C(F)(F)F ZINC000414664342 380358084 /nfs/dbraw/zinc/35/80/84/380358084.db2.gz SKFHUJOKYCWTJA-DGCLKSJQSA-N 1 3 286.341 3.183 20 0 CGADHO Cc1ccc2cc(C[NH2+]CC3(N)CCCCC3)ccc2n1 ZINC000414833362 380442049 /nfs/dbraw/zinc/44/20/49/380442049.db2.gz ANAXMLKUEDLTHI-UHFFFAOYSA-N 1 3 283.419 3.294 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000414848831 380451241 /nfs/dbraw/zinc/45/12/41/380451241.db2.gz XMOHMAFQZINUFG-USXIJHARSA-N 1 3 260.425 3.076 20 0 CGADHO C[C@@H]1C[C@H](CN2CC[C@@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768395 380397383 /nfs/dbraw/zinc/39/73/83/380397383.db2.gz UYSWIXODGVYJKI-CPUCHLNUSA-N 1 3 294.389 3.084 20 0 CGADHO CC(C)n1nccc1CNCCCCC[NH+]1CCCCC1 ZINC000354330014 380400799 /nfs/dbraw/zinc/40/07/99/380400799.db2.gz NBWRVKGJECRFSX-UHFFFAOYSA-N 1 3 292.471 3.210 20 0 CGADHO c1cc(-c2ccccc2)sc1C[NH2+]C1CCNCC1 ZINC000414787740 380405070 /nfs/dbraw/zinc/40/50/70/380405070.db2.gz LJEHOQKDZYTPKB-UHFFFAOYSA-N 1 3 272.417 3.257 20 0 CGADHO CC(C)[C@H]([NH3+])CNC[C@@H](C)c1cccc(Br)c1 ZINC000414789873 380406401 /nfs/dbraw/zinc/40/64/01/380406401.db2.gz FYPLMUVFTNHVKL-BXUZGUMPSA-N 1 3 299.256 3.126 20 0 CGADHO CC(C)[C@H](N)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414791672 380407028 /nfs/dbraw/zinc/40/70/28/380407028.db2.gz IEOGSQTVRPZRCV-GFCCVEGCSA-N 1 3 254.443 3.119 20 0 CGADHO C1CCC([C@@H]2CCCC[C@H]2[NH2+]C2CCNCC2)CC1 ZINC000414795814 380411160 /nfs/dbraw/zinc/41/11/60/380411160.db2.gz XEICXASKHRIXGQ-DLBZAZTESA-N 1 3 264.457 3.467 20 0 CGADHO CCOc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414801711 380414152 /nfs/dbraw/zinc/41/41/52/380414152.db2.gz AODNAJCIFJRMDJ-CQSZACIVSA-N 1 3 284.403 3.395 20 0 CGADHO CC(C)([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414806764 380420813 /nfs/dbraw/zinc/42/08/13/380420813.db2.gz QHEMRAFQFUZVPV-KGLIPLIRSA-N 1 3 266.816 3.303 20 0 CGADHO CC(C)(N)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414810903 380422122 /nfs/dbraw/zinc/42/21/22/380422122.db2.gz YERAEAOWAVSNCN-UHFFFAOYSA-N 1 3 260.406 3.242 20 0 CGADHO CCCC1CCC(C[NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC000414927907 380491115 /nfs/dbraw/zinc/49/11/15/380491115.db2.gz AKTMVQKOKXFJCM-LMPOIIKSSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414927836 380491145 /nfs/dbraw/zinc/49/11/45/380491145.db2.gz ACQQCNRBWYWRJO-JMSVASOKSA-N 1 3 266.816 3.001 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414927836 380491150 /nfs/dbraw/zinc/49/11/50/380491150.db2.gz ACQQCNRBWYWRJO-JMSVASOKSA-N 1 3 266.816 3.001 20 0 CGADHO CC(C)COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414933407 380495499 /nfs/dbraw/zinc/49/54/99/380495499.db2.gz WWDCXBXGEQBUBO-CVEARBPZSA-N 1 3 276.424 3.081 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C)c1cccc(Cl)c1 ZINC000414937683 380498449 /nfs/dbraw/zinc/49/84/49/380498449.db2.gz IANVCKTZVVJLCQ-JMSVASOKSA-N 1 3 266.816 3.031 20 0 CGADHO C[NH2+]CCCNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414857709 380459184 /nfs/dbraw/zinc/45/91/84/380459184.db2.gz FIXNJCJHZMMYHL-LLVKDONJSA-N 1 3 274.330 3.008 20 0 CGADHO CNCCC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414857709 380459188 /nfs/dbraw/zinc/45/91/88/380459188.db2.gz FIXNJCJHZMMYHL-LLVKDONJSA-N 1 3 274.330 3.008 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000414861787 380461302 /nfs/dbraw/zinc/46/13/02/380461302.db2.gz WTZBOMKQEBJCHX-XUWVNRHRSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)C[C@@H](CNCC1([NH3+])CCC1)c1ccccc1 ZINC000414887103 380475890 /nfs/dbraw/zinc/47/58/90/380475890.db2.gz YRMUUPWJNKKGHM-INIZCTEOSA-N 1 3 260.425 3.287 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NC[C@@H]([NH3+])C1CC1 ZINC000414895487 380477830 /nfs/dbraw/zinc/47/78/30/380477830.db2.gz XQDGFIDEMPQWNH-JOYOIKCWSA-N 1 3 272.845 3.050 20 0 CGADHO CC1(CNCc2cccc(Cl)c2Cl)CC[NH2+]CC1 ZINC000414896006 380478494 /nfs/dbraw/zinc/47/84/94/380478494.db2.gz ALMCQNWITIMYDU-UHFFFAOYSA-N 1 3 287.234 3.473 20 0 CGADHO CC(C)[C@H](CNCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000414900620 380480115 /nfs/dbraw/zinc/48/01/15/380480115.db2.gz DTHWAXFUQWLPRR-SJORKVTESA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NCC[C@H]1CCC[NH2+]1 ZINC000414906162 380483320 /nfs/dbraw/zinc/48/33/20/380483320.db2.gz OXPWKXQYRSQUHU-NWDGAFQWSA-N 1 3 286.872 3.454 20 0 CGADHO C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000644843040 380528348 /nfs/dbraw/zinc/52/83/48/380528348.db2.gz GBCFGSZCDDKPQE-GOSISDBHSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000644843040 380528354 /nfs/dbraw/zinc/52/83/54/380528354.db2.gz GBCFGSZCDDKPQE-GOSISDBHSA-N 1 3 270.420 3.092 20 0 CGADHO CC[C@@H]1CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000644843477 380529701 /nfs/dbraw/zinc/52/97/01/380529701.db2.gz RCQVERKSODPCGQ-QGZVFWFLSA-N 1 3 288.435 3.146 20 0 CGADHO c1cc(N2CCN([C@@H]3C=CCCCCC3)CC2)cc[nH+]1 ZINC000645091326 380578201 /nfs/dbraw/zinc/57/82/01/380578201.db2.gz MUTIXKJJYPBDMV-MRXNPFEDSA-N 1 3 271.408 3.093 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000227569213 542294490 /nfs/dbraw/zinc/29/44/90/542294490.db2.gz LHJZJNKVBXBWEA-YUTCNCBUSA-N 1 3 250.361 3.055 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1Cc2ccccc21 ZINC000251255120 542345867 /nfs/dbraw/zinc/34/58/67/542345867.db2.gz VDDVOGCAOAQEIX-OIISXLGYSA-N 1 3 272.436 3.227 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413130 296343202 /nfs/dbraw/zinc/34/32/02/296343202.db2.gz ZVHMEDQUSDQQMN-OWSLCNJRSA-N 1 3 294.483 3.046 20 0 CGADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000261650812 285023325 /nfs/dbraw/zinc/02/33/25/285023325.db2.gz RIIPNCPADKUHKS-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO CSc1ccccc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425930522 533060833 /nfs/dbraw/zinc/06/08/33/533060833.db2.gz IMGORZKOPKAGCK-STQMWFEESA-N 1 3 266.454 3.257 20 0 CGADHO CC[N@@H+](Cc1ccccc1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420317774 285112333 /nfs/dbraw/zinc/11/23/33/285112333.db2.gz NYKKTMVIOFPMNL-SFHVURJKSA-N 1 3 298.430 3.260 20 0 CGADHO CC[N@H+](Cc1ccccc1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420317774 285112334 /nfs/dbraw/zinc/11/23/34/285112334.db2.gz NYKKTMVIOFPMNL-SFHVURJKSA-N 1 3 298.430 3.260 20 0 CGADHO CCN(Cc1ccccc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420317774 285112335 /nfs/dbraw/zinc/11/23/35/285112335.db2.gz NYKKTMVIOFPMNL-SFHVURJKSA-N 1 3 298.430 3.260 20 0 CGADHO Cc1nccc(NC[C@H](c2ccsc2)[NH+](C)C)c1Cl ZINC000350260261 219003983 /nfs/dbraw/zinc/00/39/83/219003983.db2.gz ZKWHIMKQTSYTNI-CYBMUJFWSA-N 1 3 295.839 3.242 20 0 CGADHO COc1ccc([C@@H](Cc2ccccc2)NC[C@H](C)C[NH3+])cc1 ZINC000423316154 533129680 /nfs/dbraw/zinc/12/96/80/533129680.db2.gz ZPCKXORYULDRDY-DNVCBOLYSA-N 1 3 298.430 3.163 20 0 CGADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000423286138 533130868 /nfs/dbraw/zinc/13/08/68/533130868.db2.gz ZSJROYSICPLBLA-CORIIIEPSA-N 1 3 280.387 3.002 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)CN)cc1F ZINC000423295959 533139170 /nfs/dbraw/zinc/13/91/70/533139170.db2.gz FZUBHSJNIRLPRD-DUVNUKRYSA-N 1 3 294.414 3.045 20 0 CGADHO COc1ccc([C@H](CCC(C)C)[NH2+]CC(C)(C)N)cc1 ZINC000423288103 533177648 /nfs/dbraw/zinc/17/76/48/533177648.db2.gz QNWHTPJHJPKOSS-INIZCTEOSA-N 1 3 278.440 3.499 20 0 CGADHO CC(C)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000324022718 542441978 /nfs/dbraw/zinc/44/19/78/542441978.db2.gz RZSRXYMHEMTWJB-QGZVFWFLSA-N 1 3 273.424 3.075 20 0 CGADHO Clc1ccccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066545 542486220 /nfs/dbraw/zinc/48/62/20/542486220.db2.gz FUTTZHYREVBKNA-GJZGRUSLSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066545 542486221 /nfs/dbraw/zinc/48/62/21/542486221.db2.gz FUTTZHYREVBKNA-GJZGRUSLSA-N 1 3 278.827 3.099 20 0 CGADHO COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](N)C3CC3)ccc2c1 ZINC000423339186 533336063 /nfs/dbraw/zinc/33/60/63/533336063.db2.gz ZIJPTTKDUHYAGJ-KZULUSFZSA-N 1 3 284.403 3.236 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCNC[C@H]3C)ccc2c1 ZINC000423384496 533337738 /nfs/dbraw/zinc/33/77/38/533337738.db2.gz GABXUFLCJRTYCG-BIENJYKASA-N 1 3 298.430 3.497 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1C(C)(C)C ZINC000423322707 533411292 /nfs/dbraw/zinc/41/12/92/533411292.db2.gz OGWNFLFTMBZOPW-MLGOLLRUSA-N 1 3 260.425 3.372 20 0 CGADHO CN(CCC(C)(C)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000405983286 542627520 /nfs/dbraw/zinc/62/75/20/542627520.db2.gz BHCOKKMDNCACTO-YIONKMFJSA-N 1 3 250.430 3.028 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000414926843 542641325 /nfs/dbraw/zinc/64/13/25/542641325.db2.gz NSQGDWDKPDVTOU-USXIJHARSA-N 1 3 260.425 3.176 20 0 CGADHO CC(C)c1ccc(C[C@H]2CC[N@H+](CCCN)C2)cc1 ZINC000414761021 542638324 /nfs/dbraw/zinc/63/83/24/542638324.db2.gz ZTZNQVPIJIHFQG-MRXNPFEDSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(C[C@H]2CC[N@@H+](CCCN)C2)cc1 ZINC000414761021 542638327 /nfs/dbraw/zinc/63/83/27/542638327.db2.gz ZTZNQVPIJIHFQG-MRXNPFEDSA-N 1 3 260.425 3.023 20 0 CGADHO CC(C)c1ccc(C[C@H]2CCN(CCC[NH3+])C2)cc1 ZINC000414761021 542638329 /nfs/dbraw/zinc/63/83/29/542638329.db2.gz ZTZNQVPIJIHFQG-MRXNPFEDSA-N 1 3 260.425 3.023 20 0 CGADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1C ZINC000193789733 130652485 /nfs/dbraw/zinc/65/24/85/130652485.db2.gz YHUAFVXZJQRVHG-UHFFFAOYSA-N 1 3 290.451 3.167 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000070092012 392177437 /nfs/dbraw/zinc/17/74/37/392177437.db2.gz KWEGKRKOEYKMKT-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO Cc1ccsc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000070092012 392177440 /nfs/dbraw/zinc/17/74/40/392177440.db2.gz KWEGKRKOEYKMKT-QWHCGFSZSA-N 1 3 252.427 3.049 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CC1(COC)CCC1 ZINC000361336353 392278850 /nfs/dbraw/zinc/27/88/50/392278850.db2.gz PSFFJLCHSLPIHJ-DLBZAZTESA-N 1 3 296.499 3.293 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000246858332 131097908 /nfs/dbraw/zinc/09/79/08/131097908.db2.gz CKADZIAHNRZWTG-BQFCYCMXSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2cccc(C)c2)[C@@H](C)C1 ZINC000246858332 131097909 /nfs/dbraw/zinc/09/79/09/131097909.db2.gz CKADZIAHNRZWTG-BQFCYCMXSA-N 1 3 290.451 3.082 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252674899 131136453 /nfs/dbraw/zinc/13/64/53/131136453.db2.gz VLBJEEBTNZNTEA-PVAVHDDUSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252674899 131136454 /nfs/dbraw/zinc/13/64/54/131136454.db2.gz VLBJEEBTNZNTEA-PVAVHDDUSA-N 1 3 258.409 3.007 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000367090534 392470683 /nfs/dbraw/zinc/47/06/83/392470683.db2.gz AFOCLADSGHZKJQ-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)[C@@H](N)CC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000302380996 392615268 /nfs/dbraw/zinc/61/52/68/392615268.db2.gz IHIDUNZUMDJHSF-STQMWFEESA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@@H](N)CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000302380996 392615276 /nfs/dbraw/zinc/61/52/76/392615276.db2.gz IHIDUNZUMDJHSF-STQMWFEESA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCCC(F)(F)C1 ZINC000302380996 392615281 /nfs/dbraw/zinc/61/52/81/392615281.db2.gz IHIDUNZUMDJHSF-STQMWFEESA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000300688149 392583361 /nfs/dbraw/zinc/58/33/61/392583361.db2.gz PTRUBLHTLWHOOD-GVDBMIGSSA-N 1 3 282.472 3.092 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289966 392640580 /nfs/dbraw/zinc/64/05/80/392640580.db2.gz RCDZTGUZWSOBBJ-XIRDDKMYSA-N 1 3 275.440 3.241 20 0 CGADHO CC(C)C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000647289966 392640585 /nfs/dbraw/zinc/64/05/85/392640585.db2.gz RCDZTGUZWSOBBJ-XIRDDKMYSA-N 1 3 275.440 3.241 20 0 CGADHO CCCc1cccc(C[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647482507 392736855 /nfs/dbraw/zinc/73/68/55/392736855.db2.gz KNGKOXJKZINDCC-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCCc1cccc(C[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647482507 392736862 /nfs/dbraw/zinc/73/68/62/392736862.db2.gz KNGKOXJKZINDCC-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CN(CC(C)(C)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487233 392738922 /nfs/dbraw/zinc/73/89/22/392738922.db2.gz NGBJQJZACPCUAS-SJPCQFCGSA-N 1 3 272.436 3.179 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000647485289 392739062 /nfs/dbraw/zinc/73/90/62/392739062.db2.gz MEWOGGZGXGSIFF-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000647485289 392739064 /nfs/dbraw/zinc/73/90/64/392739064.db2.gz MEWOGGZGXGSIFF-HUUCEWRRSA-N 1 3 252.446 3.134 20 0 CGADHO Clc1cscc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545741 392762484 /nfs/dbraw/zinc/76/24/84/392762484.db2.gz LBYHAQVCMJPCLW-NEPJUHHUSA-N 1 3 284.856 3.223 20 0 CGADHO C[C@@H]1C[C@H](CNC2(c3ccccc3Cl)CC2)CC[NH2+]1 ZINC000647552747 392765834 /nfs/dbraw/zinc/76/58/34/392765834.db2.gz UZWOMCJCFXCHDV-CHWSQXEVSA-N 1 3 278.827 3.307 20 0 CGADHO Clc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000335483255 392796578 /nfs/dbraw/zinc/79/65/78/392796578.db2.gz LUJSXGUKABAVFQ-JKSUJKDBSA-N 1 3 278.827 3.318 20 0 CGADHO Clc1ccccc1C1(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647800926 392802759 /nfs/dbraw/zinc/80/27/59/392802759.db2.gz MINQIRLDZGEHKD-MELADBBJSA-N 1 3 290.838 3.307 20 0 CGADHO [NH3+]C1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000647811310 392806557 /nfs/dbraw/zinc/80/65/57/392806557.db2.gz JFMFLXPQQXOSPZ-UHFFFAOYSA-N 1 3 286.341 3.061 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000510698952 392809849 /nfs/dbraw/zinc/80/98/49/392809849.db2.gz ANHNYXKMLSDCTR-OAGGEKHMSA-N 1 3 270.436 3.226 20 0 CGADHO CC(C)N(Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647876878 392821042 /nfs/dbraw/zinc/82/10/42/392821042.db2.gz BWDARIOCZBUXPY-AWEZNQCLSA-N 1 3 266.816 3.160 20 0 CGADHO CC(C)N(Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647876879 392821077 /nfs/dbraw/zinc/82/10/77/392821077.db2.gz BWDARIOCZBUXPY-CQSZACIVSA-N 1 3 266.816 3.160 20 0 CGADHO C[C@@H](NCC1CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000191268381 392826803 /nfs/dbraw/zinc/82/68/03/392826803.db2.gz QYJQWZRUNPMDAE-SNVBAGLBSA-N 1 3 272.845 3.394 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000191638597 392832874 /nfs/dbraw/zinc/83/28/74/392832874.db2.gz KSXXBAXRXBMZIU-LJIGWXMPSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000191638597 392832880 /nfs/dbraw/zinc/83/28/80/392832880.db2.gz KSXXBAXRXBMZIU-LJIGWXMPSA-N 1 3 282.472 3.043 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000194543123 392927172 /nfs/dbraw/zinc/92/71/72/392927172.db2.gz YUTSTKBDHHNFLH-OKILXGFUSA-N 1 3 298.352 3.007 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000194543123 392927178 /nfs/dbraw/zinc/92/71/78/392927178.db2.gz YUTSTKBDHHNFLH-OKILXGFUSA-N 1 3 298.352 3.007 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC1=CCN(C)CC1 ZINC000401493077 392951490 /nfs/dbraw/zinc/95/14/90/392951490.db2.gz ZQVHQUFSFWMRHN-HZPDHXFCSA-N 1 3 250.430 3.054 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2c(Cl)cccc2Cl)C1 ZINC000517176711 542736685 /nfs/dbraw/zinc/73/66/85/542736685.db2.gz QEFIUSWNDADKFX-MNOVXSKESA-N 1 3 287.234 3.395 20 0 CGADHO CC[C@H]([NH3+])CNC(Cc1ccccc1)Cc1ccccc1 ZINC000414990905 393082816 /nfs/dbraw/zinc/08/28/16/393082816.db2.gz PNDYZUHCCKETEH-SFHVURJKSA-N 1 3 282.431 3.167 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)s1)[C@H](C)N ZINC000415003348 393087549 /nfs/dbraw/zinc/08/75/49/393087549.db2.gz FVMJXYQKSGIDSS-NWDGAFQWSA-N 1 3 260.406 3.240 20 0 CGADHO Cc1ccccc1-c1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000415002572 393087940 /nfs/dbraw/zinc/08/79/40/393087940.db2.gz DWCGMBGIXSKCKQ-HUUCEWRRSA-N 1 3 268.404 3.487 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346834900 393096795 /nfs/dbraw/zinc/09/67/95/393096795.db2.gz NIXIBBVBEVWRIL-YJBOKZPZSA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cc1 ZINC000346834900 393096806 /nfs/dbraw/zinc/09/68/06/393096806.db2.gz NIXIBBVBEVWRIL-YJBOKZPZSA-N 1 3 288.435 3.222 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)cc1 ZINC000346834900 393096812 /nfs/dbraw/zinc/09/68/12/393096812.db2.gz NIXIBBVBEVWRIL-YJBOKZPZSA-N 1 3 288.435 3.222 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415017315 393098254 /nfs/dbraw/zinc/09/82/54/393098254.db2.gz POUWZWZIGGGCOC-STQMWFEESA-N 1 3 288.366 3.443 20 0 CGADHO C[C@H](CCC[NH3+])NCc1c(Cl)cccc1N1CCCC1 ZINC000415019369 393099336 /nfs/dbraw/zinc/09/93/36/393099336.db2.gz IFTIASGIENLXKP-CYBMUJFWSA-N 1 3 295.858 3.157 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2cccc(Cl)c2Cl)C1 ZINC000415029535 393103021 /nfs/dbraw/zinc/10/30/21/393103021.db2.gz DSVKSOYIUGJQNB-GXSJLCMTSA-N 1 3 273.207 3.210 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000415032733 393105045 /nfs/dbraw/zinc/10/50/45/393105045.db2.gz IEXHWDHPZSDLOQ-BXKDBHETSA-N 1 3 273.207 3.210 20 0 CGADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344295324 393041350 /nfs/dbraw/zinc/04/13/50/393041350.db2.gz JVKVPCLYNOSAJA-NUEKZKHPSA-N 1 3 250.430 3.053 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)[C@@H]1CCCNC1 ZINC000414858311 393056386 /nfs/dbraw/zinc/05/63/86/393056386.db2.gz RGUQCIUWEUYSJL-VGAPYMQISA-N 1 3 272.436 3.156 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000414949668 393058684 /nfs/dbraw/zinc/05/86/84/393058684.db2.gz GJJLTIYSOVHWRH-BHYGNILZSA-N 1 3 260.425 3.156 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC000414950985 393060586 /nfs/dbraw/zinc/06/05/86/393060586.db2.gz PIKWKQPXWTXIGX-LAVFITLUSA-N 1 3 272.436 3.128 20 0 CGADHO CCC[C@H](C[NH2+][C@H]1CCN[C@@H](C)C1)c1ccccc1 ZINC000414952811 393061441 /nfs/dbraw/zinc/06/14/41/393061441.db2.gz QZZJXAUXDJNNSF-UAGQMJEPSA-N 1 3 260.425 3.300 20 0 CGADHO CCC[C@H](CN[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000414952811 393061446 /nfs/dbraw/zinc/06/14/46/393061446.db2.gz QZZJXAUXDJNNSF-UAGQMJEPSA-N 1 3 260.425 3.300 20 0 CGADHO Cc1cc(N)cc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000414958456 393064486 /nfs/dbraw/zinc/06/44/86/393064486.db2.gz DDPDUMRNRRMAQL-MOPGFXCFSA-N 1 3 295.430 3.160 20 0 CGADHO [NH3+]CCC[C@H](NCc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000415047650 393110908 /nfs/dbraw/zinc/11/09/08/393110908.db2.gz FICHVJLFMBDAGZ-KRWDZBQOSA-N 1 3 294.402 3.133 20 0 CGADHO COCC[N@H+](CC[C@H]1CCCN1C)[C@H](C)c1ccccc1 ZINC000348079036 393111907 /nfs/dbraw/zinc/11/19/07/393111907.db2.gz PYZLRZRTTMYIKI-SJLPKXTDSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[N@@H+](CC[C@H]1CCCN1C)[C@H](C)c1ccccc1 ZINC000348079036 393111913 /nfs/dbraw/zinc/11/19/13/393111913.db2.gz PYZLRZRTTMYIKI-SJLPKXTDSA-N 1 3 290.451 3.180 20 0 CGADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415056524 393116599 /nfs/dbraw/zinc/11/65/99/393116599.db2.gz SDNIAGLZFUDXHM-BHYGNILZSA-N 1 3 260.425 3.014 20 0 CGADHO C[C@H](CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000415060169 393122090 /nfs/dbraw/zinc/12/20/90/393122090.db2.gz YHNRHKWBLPOROJ-KYJSFNMBSA-N 1 3 290.426 3.393 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000252893653 393127969 /nfs/dbraw/zinc/12/79/69/393127969.db2.gz RFVZMEFQLGEEDO-BXUZGUMPSA-N 1 3 286.341 3.135 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000252893653 393127974 /nfs/dbraw/zinc/12/79/74/393127974.db2.gz RFVZMEFQLGEEDO-BXUZGUMPSA-N 1 3 286.341 3.135 20 0 CGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000415082458 393136294 /nfs/dbraw/zinc/13/62/94/393136294.db2.gz OJSXUXYWGNUNPR-UAGQMJEPSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccc(C)cc1 ZINC000415082458 393136301 /nfs/dbraw/zinc/13/63/01/393136301.db2.gz OJSXUXYWGNUNPR-UAGQMJEPSA-N 1 3 260.425 3.424 20 0 CGADHO c1csc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415083900 393136354 /nfs/dbraw/zinc/13/63/54/393136354.db2.gz GCCXVZIRNLTFNR-GDBMZVCRSA-N 1 3 272.417 3.331 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H](C)c1ccc(F)cc1F ZINC000415116722 393148943 /nfs/dbraw/zinc/14/89/43/393148943.db2.gz VCBGIQOTURVEIO-YRGRVCCFSA-N 1 3 282.378 3.189 20 0 CGADHO c1ccc(C[C@@H](NC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420380883 393480811 /nfs/dbraw/zinc/48/08/11/393480811.db2.gz WYKRJZJVXMDNOH-PKOBYXMFSA-N 1 3 280.415 3.170 20 0 CGADHO CC1=C(C)CN(CCOCC[N@@H+]2CCC(C)=C(C)C2)CC1 ZINC000483382336 393443061 /nfs/dbraw/zinc/44/30/61/393443061.db2.gz KRPPKUZHOXXAGT-UHFFFAOYSA-N 1 3 292.467 3.087 20 0 CGADHO CC1=C(C)CN(CCOCC[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483382336 393443063 /nfs/dbraw/zinc/44/30/63/393443063.db2.gz KRPPKUZHOXXAGT-UHFFFAOYSA-N 1 3 292.467 3.087 20 0 CGADHO CCCc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000420254742 393443560 /nfs/dbraw/zinc/44/35/60/393443560.db2.gz GXJTUFCKQPYMSQ-CABCVRRESA-N 1 3 295.430 3.233 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccccc2SC)CC1 ZINC000420292635 393451488 /nfs/dbraw/zinc/45/14/88/393451488.db2.gz PSRCVAWRPDMUQN-UHFFFAOYSA-N 1 3 278.465 3.230 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)CCCc1cccc(F)c1 ZINC000420295986 393453089 /nfs/dbraw/zinc/45/30/89/393453089.db2.gz WKBIUZNQCXCSIX-MRXNPFEDSA-N 1 3 266.404 3.064 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000429554380 393476640 /nfs/dbraw/zinc/47/66/40/393476640.db2.gz JEVLBPZRVNJUDV-VQIMIIECSA-N 1 3 286.463 3.208 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000429554380 393476644 /nfs/dbraw/zinc/47/66/44/393476644.db2.gz JEVLBPZRVNJUDV-VQIMIIECSA-N 1 3 286.463 3.208 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN[C@H](C)c2ccccc2)cc1 ZINC000420421786 393486324 /nfs/dbraw/zinc/48/63/24/393486324.db2.gz YTJZVTUCNKBXSV-RHSMWYFYSA-N 1 3 284.403 3.088 20 0 CGADHO COc1ccc([C@H](CN)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000420421786 393486330 /nfs/dbraw/zinc/48/63/30/393486330.db2.gz YTJZVTUCNKBXSV-RHSMWYFYSA-N 1 3 284.403 3.088 20 0 CGADHO CC[C@H](NCCC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000420420709 393486950 /nfs/dbraw/zinc/48/69/50/393486950.db2.gz YIBSCXIFNVFOKR-INIZCTEOSA-N 1 3 282.378 3.395 20 0 CGADHO CC(C)C1CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000488456184 393521944 /nfs/dbraw/zinc/52/19/44/393521944.db2.gz GIWIDYFRAGSZGK-UHFFFAOYSA-N 1 3 287.451 3.322 20 0 CGADHO CN1CC[C@@]2(CC[N@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146681 393529783 /nfs/dbraw/zinc/52/97/83/393529783.db2.gz HMMHWLAYDGLUIR-QGZVFWFLSA-N 1 3 288.366 3.100 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+](Cc3cc4cc(F)ccc4o3)C2)C1 ZINC000430146681 393529786 /nfs/dbraw/zinc/52/97/86/393529786.db2.gz HMMHWLAYDGLUIR-QGZVFWFLSA-N 1 3 288.366 3.100 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663142 393532152 /nfs/dbraw/zinc/53/21/52/393532152.db2.gz ZEMVDFAKXPMUBO-MSOLQXFVSA-N 1 3 290.426 3.273 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663142 393532156 /nfs/dbraw/zinc/53/21/56/393532156.db2.gz ZEMVDFAKXPMUBO-MSOLQXFVSA-N 1 3 290.426 3.273 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000629524720 542782889 /nfs/dbraw/zinc/78/28/89/542782889.db2.gz USWHTDVLAOJDPI-CQSZACIVSA-N 1 3 290.451 3.143 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC000430579233 393577935 /nfs/dbraw/zinc/57/79/35/393577935.db2.gz YHQHKWVGCDAWRQ-KGLIPLIRSA-N 1 3 296.842 3.168 20 0 CGADHO [NH3+]C[C@H]1CCCN(CCCSc2ccccc2Cl)C1 ZINC000430637005 393582683 /nfs/dbraw/zinc/58/26/83/393582683.db2.gz BTUBYGUVVBBNCW-CYBMUJFWSA-N 1 3 298.883 3.493 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000489877510 393618957 /nfs/dbraw/zinc/61/89/57/393618957.db2.gz XPJUZXNKAWXPFZ-OAHLLOKOSA-N 1 3 296.405 3.314 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000489877510 393618961 /nfs/dbraw/zinc/61/89/61/393618961.db2.gz XPJUZXNKAWXPFZ-OAHLLOKOSA-N 1 3 296.405 3.314 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CC(OC(C)(C)C)C2)C1 ZINC000490168558 393634430 /nfs/dbraw/zinc/63/44/30/393634430.db2.gz XHKRXPQDHDUEDG-NUWOQIAWSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000490168558 393634436 /nfs/dbraw/zinc/63/44/36/393634436.db2.gz XHKRXPQDHDUEDG-NUWOQIAWSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432787528 393639913 /nfs/dbraw/zinc/63/99/13/393639913.db2.gz HDIMDYTXPUOUPA-SJLPKXTDSA-N 1 3 274.452 3.281 20 0 CGADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432787528 393639919 /nfs/dbraw/zinc/63/99/19/393639919.db2.gz HDIMDYTXPUOUPA-SJLPKXTDSA-N 1 3 274.452 3.281 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1Cl ZINC000422703956 393640605 /nfs/dbraw/zinc/64/06/05/393640605.db2.gz JLDGGABTHPKEDF-DOMZBBRYSA-N 1 3 280.843 3.335 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422774579 393642686 /nfs/dbraw/zinc/64/26/86/393642686.db2.gz XNLKAAPHVWHPLN-HPDBWDTBSA-N 1 3 296.499 3.323 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423111286 393651944 /nfs/dbraw/zinc/65/19/44/393651944.db2.gz IQSXHNATBOXADN-ZLGJRNTRSA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2ccc(Br)cc21 ZINC000423226451 393655083 /nfs/dbraw/zinc/65/50/83/393655083.db2.gz QVLXCEWSJSEGNZ-IINYFYTJSA-N 1 3 297.240 3.153 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000423271445 393657798 /nfs/dbraw/zinc/65/77/98/393657798.db2.gz HLWGXTKTMRQJLQ-WMZOPIPTSA-N 1 3 272.436 3.041 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000443428423 393756407 /nfs/dbraw/zinc/75/64/07/393756407.db2.gz ONWJDWYEDVAEHZ-CVEARBPZSA-N 1 3 295.430 3.312 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000443428423 393756409 /nfs/dbraw/zinc/75/64/09/393756409.db2.gz ONWJDWYEDVAEHZ-CVEARBPZSA-N 1 3 295.430 3.312 20 0 CGADHO CCc1ccc([C@@H](NCCC[NH+](C)C)C(C)C)cc1 ZINC000500129616 393819492 /nfs/dbraw/zinc/81/94/92/393819492.db2.gz OHEOGEGJXTXZGH-KRWDZBQOSA-N 1 3 262.441 3.487 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449204883 393876863 /nfs/dbraw/zinc/87/68/63/393876863.db2.gz JWXJGVOSPFGNJL-SJORKVTESA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995094 542832614 /nfs/dbraw/zinc/83/26/14/542832614.db2.gz DGFGNUCDMBFGOB-VXGBXAGGSA-N 1 3 278.362 3.372 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995545 542833670 /nfs/dbraw/zinc/83/36/70/542833670.db2.gz QWIQFNJWYISVRY-NVXWUHKLSA-N 1 3 272.436 3.190 20 0 CGADHO Cc1ccccc1C[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995545 542833672 /nfs/dbraw/zinc/83/36/72/542833672.db2.gz QWIQFNJWYISVRY-NVXWUHKLSA-N 1 3 272.436 3.190 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995570 542834099 /nfs/dbraw/zinc/83/40/99/542834099.db2.gz SDSOPCWTISMKGS-UYSNPLJNSA-N 1 3 264.457 3.466 20 0 CGADHO CCC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)COC1 ZINC000449599725 393918129 /nfs/dbraw/zinc/91/81/29/393918129.db2.gz LMBZPZCVIZXJCM-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO CCC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)COC1 ZINC000449599725 393918134 /nfs/dbraw/zinc/91/81/34/393918134.db2.gz LMBZPZCVIZXJCM-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO CCC(C)(C)OCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000453410522 394238156 /nfs/dbraw/zinc/23/81/56/394238156.db2.gz PRVAZKAWMJDVGY-UHFFFAOYSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@H]1CC[C@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)O1 ZINC000453418316 394241058 /nfs/dbraw/zinc/24/10/58/394241058.db2.gz WFJMVBCKBDTALK-MXSMSXNCSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CS1 ZINC000668818753 543066475 /nfs/dbraw/zinc/06/64/75/543066475.db2.gz KSTMLWKBWSAMHS-BBWFWOEESA-N 1 3 296.524 3.228 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)cc1 ZINC000414861275 292097051 /nfs/dbraw/zinc/09/70/51/292097051.db2.gz WJKBJXWKKNBMML-LZLYRXPVSA-N 1 3 274.452 3.294 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2c(O)cccc12 ZINC000672327624 543208638 /nfs/dbraw/zinc/20/86/38/543208638.db2.gz DQMXBNQPVTXVDN-UONOGXRCSA-N 1 3 297.402 3.003 20 0 CGADHO CC(C)(C)CCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000302318636 397676477 /nfs/dbraw/zinc/67/64/77/397676477.db2.gz QDZQAYQDHFMLLG-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1=CCCC1 ZINC000308767063 397681796 /nfs/dbraw/zinc/68/17/96/397681796.db2.gz GAOWNEWIZWZQNJ-CVEARBPZSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1=CCCC1 ZINC000308767063 397681797 /nfs/dbraw/zinc/68/17/97/397681797.db2.gz GAOWNEWIZWZQNJ-CVEARBPZSA-N 1 3 262.441 3.339 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1=CCCC1 ZINC000308767063 397681800 /nfs/dbraw/zinc/68/18/00/397681800.db2.gz GAOWNEWIZWZQNJ-CVEARBPZSA-N 1 3 262.441 3.339 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC2CCC1CC2 ZINC000392260350 397693124 /nfs/dbraw/zinc/69/31/24/397693124.db2.gz PSSNDIWDQFQIPL-RKHAHWSXSA-N 1 3 262.441 3.053 20 0 CGADHO C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)[C@H]1CC[NH3+] ZINC000650711414 397898717 /nfs/dbraw/zinc/89/87/17/397898717.db2.gz SYZMGEZVLMPKMS-PBHICJAKSA-N 1 3 298.434 3.026 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc3cnccc3c2)[C@@H]1CC[NH3+] ZINC000650712252 397899637 /nfs/dbraw/zinc/89/96/37/397899637.db2.gz XTIXLJBKTIUVNN-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)[C@@H]1CCN ZINC000650712252 397899639 /nfs/dbraw/zinc/89/96/39/397899639.db2.gz XTIXLJBKTIUVNN-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@@H]1CCN ZINC000650712252 397899640 /nfs/dbraw/zinc/89/96/40/397899640.db2.gz XTIXLJBKTIUVNN-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO Cc1ccccc1C1(N[C@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000650739993 397904021 /nfs/dbraw/zinc/90/40/21/397904021.db2.gz DKZMBEXMCZZRLX-HZPDHXFCSA-N 1 3 272.436 3.352 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc2ccsc21 ZINC000650740709 397904119 /nfs/dbraw/zinc/90/41/19/397904119.db2.gz OVWDVJWKPCGHEG-GXTWGEPZSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650740709 397904123 /nfs/dbraw/zinc/90/41/23/397904123.db2.gz OVWDVJWKPCGHEG-GXTWGEPZSA-N 1 3 260.406 3.118 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000650758544 397910677 /nfs/dbraw/zinc/91/06/77/397910677.db2.gz RYQZCGYQIKJXFU-AWEZNQCLSA-N 1 3 296.414 3.287 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422850669 296576453 /nfs/dbraw/zinc/57/64/53/296576453.db2.gz NYRWJLRUCSWPFP-RFGFWPKPSA-N 1 3 292.389 3.333 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)CCCCC1 ZINC000421819592 292146445 /nfs/dbraw/zinc/14/64/45/292146445.db2.gz HXGDIXPUHCPNKW-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CCC[C@@H]([NH2+][C@H](C)C1CCN(C)CC1)c1ccccn1 ZINC000675815399 543367224 /nfs/dbraw/zinc/36/72/24/543367224.db2.gz BKYCZEWVKDPEHJ-RHSMWYFYSA-N 1 3 275.440 3.243 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340320 543516222 /nfs/dbraw/zinc/51/62/22/543516222.db2.gz SXYRXZPSDLSSAU-HKUYNNGSSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340320 543516223 /nfs/dbraw/zinc/51/62/23/543516223.db2.gz SXYRXZPSDLSSAU-HKUYNNGSSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340320 543516225 /nfs/dbraw/zinc/51/62/25/543516225.db2.gz SXYRXZPSDLSSAU-HKUYNNGSSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000678340320 543516227 /nfs/dbraw/zinc/51/62/27/543516227.db2.gz SXYRXZPSDLSSAU-HKUYNNGSSA-N 1 3 284.447 3.480 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000678590106 543538299 /nfs/dbraw/zinc/53/82/99/543538299.db2.gz ZADSRUNETHEBFG-MSOLQXFVSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000678590106 543538301 /nfs/dbraw/zinc/53/83/01/543538301.db2.gz ZADSRUNETHEBFG-MSOLQXFVSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)[C@H]2CCCCO2)CC1 ZINC000678598579 543540795 /nfs/dbraw/zinc/54/07/95/543540795.db2.gz SNYXVNDMBABGED-MRXNPFEDSA-N 1 3 296.499 3.434 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC000678735733 543551241 /nfs/dbraw/zinc/55/12/41/543551241.db2.gz XORUWCCTEORSQQ-HOCLYGCPSA-N 1 3 276.424 3.220 20 0 CGADHO COCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCC1 ZINC000423140682 292229632 /nfs/dbraw/zinc/22/96/32/292229632.db2.gz ZDEFJNTVMCTNAE-GVDBMIGSSA-N 1 3 294.483 3.094 20 0 CGADHO COc1ccc([C@@H](NCC[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000272035614 286359166 /nfs/dbraw/zinc/35/91/66/286359166.db2.gz NVJLEEVFOVXUMK-AEFFLSMTSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@@H](NCC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035614 286359169 /nfs/dbraw/zinc/35/91/69/286359169.db2.gz NVJLEEVFOVXUMK-AEFFLSMTSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@@H]([NH2+]CC[C@H]2CCCN2C)C2CC2)cc1 ZINC000272035614 286359171 /nfs/dbraw/zinc/35/91/71/286359171.db2.gz NVJLEEVFOVXUMK-AEFFLSMTSA-N 1 3 288.435 3.220 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000270930052 287022464 /nfs/dbraw/zinc/02/24/64/287022464.db2.gz PUHOHMALWHEWTP-HZPDHXFCSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1ccccn1 ZINC000270930052 287022465 /nfs/dbraw/zinc/02/24/65/287022465.db2.gz PUHOHMALWHEWTP-HZPDHXFCSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H]1CC1(C)C ZINC000486938414 287040917 /nfs/dbraw/zinc/04/09/17/287040917.db2.gz PZJXKYIPVJSTFF-CZUORRHYSA-N 1 3 260.425 3.272 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000081567844 287074392 /nfs/dbraw/zinc/07/43/92/287074392.db2.gz QGADSMWUPGBTRA-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000081567844 287074394 /nfs/dbraw/zinc/07/43/94/287074394.db2.gz QGADSMWUPGBTRA-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cc[nH]c2)CC1 ZINC000086254375 165183220 /nfs/dbraw/zinc/18/32/20/165183220.db2.gz QVCYSILJMKSGKR-OAHLLOKOSA-N 1 3 283.419 3.330 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000089148348 165200123 /nfs/dbraw/zinc/20/01/23/165200123.db2.gz CFCRDNKDCOZZLZ-SUHUHFCYSA-N 1 3 284.350 3.066 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000090340187 165231635 /nfs/dbraw/zinc/23/16/35/165231635.db2.gz UPHAWYWFKYQQRF-ZBFHGGJFSA-N 1 3 276.424 3.220 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000376675271 287107538 /nfs/dbraw/zinc/10/75/38/287107538.db2.gz XYSZENXFSNATSV-BIVLZKPYSA-N 1 3 264.457 3.418 20 0 CGADHO CC[NH+]1CCC(NCc2cccc(C3CC3)c2)CC1 ZINC000094519294 165352343 /nfs/dbraw/zinc/35/23/43/165352343.db2.gz PFPCYZVKDSAUID-UHFFFAOYSA-N 1 3 258.409 3.138 20 0 CGADHO CCC[NH+]1CCC(N(C)CCCOc2ccccc2)CC1 ZINC000109787050 287129817 /nfs/dbraw/zinc/12/98/17/287129817.db2.gz VXLJWKWSDHARJK-UHFFFAOYSA-N 1 3 290.451 3.262 20 0 CGADHO CCCCOCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000119567388 287171274 /nfs/dbraw/zinc/17/12/74/287171274.db2.gz MSAGJCAXDGQWJG-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000121204294 287194492 /nfs/dbraw/zinc/19/44/92/287194492.db2.gz QHWGXRKHENLXEB-LZLYRXPVSA-N 1 3 274.452 3.430 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000121204294 287194496 /nfs/dbraw/zinc/19/44/96/287194496.db2.gz QHWGXRKHENLXEB-LZLYRXPVSA-N 1 3 274.452 3.430 20 0 CGADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C(C)C ZINC000122363377 287208924 /nfs/dbraw/zinc/20/89/24/287208924.db2.gz WCIWHBHJTGSCAX-INIZCTEOSA-N 1 3 278.440 3.151 20 0 CGADHO CCC[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284443567 196057568 /nfs/dbraw/zinc/05/75/68/196057568.db2.gz SXMWBHPQFPCQFO-HNNXBMFYSA-N 1 3 290.451 3.438 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1CCCC1)c1ccccc1 ZINC000037229609 173050337 /nfs/dbraw/zinc/05/03/37/173050337.db2.gz AUBMUPFGQCTSRX-KRWDZBQOSA-N 1 3 260.425 3.459 20 0 CGADHO CC(C)[C@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000037229609 173050340 /nfs/dbraw/zinc/05/03/40/173050340.db2.gz AUBMUPFGQCTSRX-KRWDZBQOSA-N 1 3 260.425 3.459 20 0 CGADHO FC(F)(F)c1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000037408277 173184304 /nfs/dbraw/zinc/18/43/04/173184304.db2.gz DOCSCFQRZRDFBC-CYBMUJFWSA-N 1 3 298.352 3.279 20 0 CGADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(C)c1 ZINC000037408245 173184654 /nfs/dbraw/zinc/18/46/54/173184654.db2.gz MZMSKCLLYIPQJV-MRXNPFEDSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037408245 173184656 /nfs/dbraw/zinc/18/46/56/173184656.db2.gz MZMSKCLLYIPQJV-MRXNPFEDSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000037408245 173184659 /nfs/dbraw/zinc/18/46/59/173184659.db2.gz MZMSKCLLYIPQJV-MRXNPFEDSA-N 1 3 272.436 3.186 20 0 CGADHO CCC[N@H+](Cc1ccc2ccccc2n1)C1CCNCC1 ZINC000037539279 173260133 /nfs/dbraw/zinc/26/01/33/173260133.db2.gz SWRPGFNULIUWJI-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCC[N@@H+](Cc1ccc2ccccc2n1)C1CCNCC1 ZINC000037539279 173260134 /nfs/dbraw/zinc/26/01/34/173260134.db2.gz SWRPGFNULIUWJI-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC23CC3)CC1 ZINC000424315220 287289003 /nfs/dbraw/zinc/28/90/03/287289003.db2.gz DHEWZJZCXQCRPY-VNQPRFMTSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000424315220 287289006 /nfs/dbraw/zinc/28/90/06/287289006.db2.gz DHEWZJZCXQCRPY-VNQPRFMTSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC23CC3)CC1 ZINC000424315217 287311278 /nfs/dbraw/zinc/31/12/78/287311278.db2.gz DHEWZJZCXQCRPY-BMFZPTHFSA-N 1 3 262.441 3.172 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000424315217 287311280 /nfs/dbraw/zinc/31/12/80/287311280.db2.gz DHEWZJZCXQCRPY-BMFZPTHFSA-N 1 3 262.441 3.172 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000129201802 287326650 /nfs/dbraw/zinc/32/66/50/287326650.db2.gz IQGMYVDFUSXEMN-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc(F)cc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404403294 416553510 /nfs/dbraw/zinc/55/35/10/416553510.db2.gz SOFIWBUKWJYHNF-BBRMVZONSA-N 1 3 264.388 3.083 20 0 CGADHO C[N@H+](CCCN[C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358787 416492465 /nfs/dbraw/zinc/49/24/65/416492465.db2.gz KKTSOLMRNBTQAI-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@@H+](CCCN[C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358787 416492468 /nfs/dbraw/zinc/49/24/68/416492468.db2.gz KKTSOLMRNBTQAI-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO CN(CCC[NH2+][C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358787 416492472 /nfs/dbraw/zinc/49/24/72/416492472.db2.gz KKTSOLMRNBTQAI-HNNXBMFYSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@@H]1CN(Cc2ccc(C3CC3)cc2)CC[C@@H]1[NH3+] ZINC000122378375 416503619 /nfs/dbraw/zinc/50/36/19/416503619.db2.gz CVTHUKVAXURZNT-PBHICJAKSA-N 1 3 258.409 3.123 20 0 CGADHO CC[NH+](CC)CCCC1CCN(Cc2cnoc2C)CC1 ZINC000130181354 287346413 /nfs/dbraw/zinc/34/64/13/287346413.db2.gz AZXXNWWUUKMUCB-UHFFFAOYSA-N 1 3 293.455 3.317 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682076091 543822104 /nfs/dbraw/zinc/82/21/04/543822104.db2.gz STMIXJPGFLKIRZ-VQIMIIECSA-N 1 3 284.447 3.338 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682076091 543822106 /nfs/dbraw/zinc/82/21/06/543822106.db2.gz STMIXJPGFLKIRZ-VQIMIIECSA-N 1 3 284.447 3.338 20 0 CGADHO Clc1cscc1CNCC1CC[NH+](C2CC2)CC1 ZINC000683706203 543933894 /nfs/dbraw/zinc/93/38/94/543933894.db2.gz DGKFVQMPJMYAIC-UHFFFAOYSA-N 1 3 284.856 3.366 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000685663917 544093952 /nfs/dbraw/zinc/09/39/52/544093952.db2.gz KSXXBAXRXBMZIU-HWMZRRJGSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000685663917 544093953 /nfs/dbraw/zinc/09/39/53/544093953.db2.gz KSXXBAXRXBMZIU-HWMZRRJGSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@@H](CNC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000658329260 418937395 /nfs/dbraw/zinc/93/73/95/418937395.db2.gz KIRYNPPRFJJTFU-SFHVURJKSA-N 1 3 294.483 3.046 20 0 CGADHO c1cc2c(cc[nH+]c2NC[C@@H]2CCN2Cc2ccccc2)[nH]1 ZINC000664632366 418988608 /nfs/dbraw/zinc/98/86/08/418988608.db2.gz RHZLWDUIEDUXBO-HNNXBMFYSA-N 1 3 292.386 3.249 20 0 CGADHO Cc1cc(CNCCC[NH+]2CCC2)ccc1C(F)(F)F ZINC000655753791 419087717 /nfs/dbraw/zinc/08/77/17/419087717.db2.gz FFYULWQEHSCYMF-UHFFFAOYSA-N 1 3 286.341 3.199 20 0 CGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CC(C)(C)CC(C)(C)C1 ZINC000665245639 419091321 /nfs/dbraw/zinc/09/13/21/419091321.db2.gz OCQMXISCQZJQPI-BPUTZDHNSA-N 1 3 296.499 3.181 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(OC)c(OC)c1 ZINC000665249572 419093042 /nfs/dbraw/zinc/09/30/42/419093042.db2.gz SXABOKHKPKZMAI-CQSZACIVSA-N 1 3 292.423 3.016 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1(F)F ZINC000665267602 419096589 /nfs/dbraw/zinc/09/65/89/419096589.db2.gz ZLDLTDVELRICLI-BARDWOONSA-N 1 3 286.410 3.322 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000665274217 419098560 /nfs/dbraw/zinc/09/85/60/419098560.db2.gz LYTJQZCFLMHDTO-HGWMRPEMSA-N 1 3 293.430 3.416 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C(C)(C)C1(F)F ZINC000665274421 419098892 /nfs/dbraw/zinc/09/88/92/419098892.db2.gz PWSOPKYPEDWXNY-JHJVBQTASA-N 1 3 274.399 3.178 20 0 CGADHO CO[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000665275978 419099705 /nfs/dbraw/zinc/09/97/05/419099705.db2.gz WOFWJAUTURXQQV-BHYGNILZSA-N 1 3 282.472 3.092 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000665280487 419101251 /nfs/dbraw/zinc/10/12/51/419101251.db2.gz DAPIFCKTXOCBKH-JJRVBVJISA-N 1 3 278.440 3.150 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280487 419101252 /nfs/dbraw/zinc/10/12/52/419101252.db2.gz DAPIFCKTXOCBKH-JJRVBVJISA-N 1 3 278.440 3.150 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1ccc(Br)cc1 ZINC000665279548 419101631 /nfs/dbraw/zinc/10/16/31/419101631.db2.gz FXIMKYYVWZGXDU-BXUZGUMPSA-N 1 3 299.256 3.473 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)C1CCCCC1 ZINC000665283173 419102490 /nfs/dbraw/zinc/10/24/90/419102490.db2.gz ISZSZPWMIOAMGG-SQWLQELKSA-N 1 3 252.446 3.181 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283429 419102800 /nfs/dbraw/zinc/10/28/00/419102800.db2.gz NOHMGFIDUYJTGL-GRAKBVBRSA-N 1 3 250.430 3.062 20 0 CGADHO c1coc(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665282969 419102908 /nfs/dbraw/zinc/10/29/08/419102908.db2.gz FMFZHOZMWNBLSO-IXDOHACOSA-N 1 3 276.424 3.113 20 0 CGADHO c1coc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)c1 ZINC000665282969 419102911 /nfs/dbraw/zinc/10/29/11/419102911.db2.gz FMFZHOZMWNBLSO-IXDOHACOSA-N 1 3 276.424 3.113 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C1CCCCC1 ZINC000665283975 419104186 /nfs/dbraw/zinc/10/41/86/419104186.db2.gz YDFONVIRFCPJTB-KZNAEPCWSA-N 1 3 288.435 3.316 20 0 CGADHO CNC[C@@H](C)[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000665296252 419109624 /nfs/dbraw/zinc/10/96/24/419109624.db2.gz PJBOMXHVTKAKSW-RISCZKNCSA-N 1 3 252.427 3.177 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196939 419148180 /nfs/dbraw/zinc/14/81/80/419148180.db2.gz YRRBLCPZARISPP-KGLIPLIRSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196939 419148182 /nfs/dbraw/zinc/14/81/82/419148182.db2.gz YRRBLCPZARISPP-KGLIPLIRSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(-c3cccnc3)cc2)C1 ZINC000656197109 419148416 /nfs/dbraw/zinc/14/84/16/419148416.db2.gz FXEKGNLXMNKABY-ZWKOTPCHSA-N 1 3 281.403 3.108 20 0 CGADHO Cc1cccc(C2(N[C@H]3CCC[C@@H]([NH3+])C3)CCC2)c1 ZINC000656200392 419149571 /nfs/dbraw/zinc/14/95/71/419149571.db2.gz MBJZEXCIOGAYNP-CVEARBPZSA-N 1 3 258.409 3.234 20 0 CGADHO C[C@@H](NCCCc1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000656201127 419149600 /nfs/dbraw/zinc/14/96/00/419149600.db2.gz SQOVGENZSFIQMK-SNVBAGLBSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)C1CNC1 ZINC000656201127 419149603 /nfs/dbraw/zinc/14/96/03/419149603.db2.gz SQOVGENZSFIQMK-SNVBAGLBSA-N 1 3 287.234 3.124 20 0 CGADHO Cc1cccc(C2(N[C@@H]3CCC[C@@H]([NH3+])C3)CCC2)c1 ZINC000656200394 419149967 /nfs/dbraw/zinc/14/99/67/419149967.db2.gz MBJZEXCIOGAYNP-HZPDHXFCSA-N 1 3 258.409 3.234 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660122 419176604 /nfs/dbraw/zinc/17/66/04/419176604.db2.gz ULJHUYGROIRDNU-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660122 419176607 /nfs/dbraw/zinc/17/66/07/419176607.db2.gz ULJHUYGROIRDNU-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660988 419177511 /nfs/dbraw/zinc/17/75/11/419177511.db2.gz YEOKUDQJMDCSCX-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cccc(C)c1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660988 419177514 /nfs/dbraw/zinc/17/75/14/419177514.db2.gz YEOKUDQJMDCSCX-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCSc1ccccc1)C2 ZINC000660660131 419177729 /nfs/dbraw/zinc/17/77/29/419177729.db2.gz UPBIPSKJEUAJBW-QGZVFWFLSA-N 1 3 290.476 3.196 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCSc1ccccc1)C2 ZINC000660660131 419177732 /nfs/dbraw/zinc/17/77/32/419177732.db2.gz UPBIPSKJEUAJBW-QGZVFWFLSA-N 1 3 290.476 3.196 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656617944 419187357 /nfs/dbraw/zinc/18/73/57/419187357.db2.gz RMLALINSJRQQGI-HNNXBMFYSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCCc2cccc(Cl)c2)C1 ZINC000656617944 419187361 /nfs/dbraw/zinc/18/73/61/419187361.db2.gz RMLALINSJRQQGI-HNNXBMFYSA-N 1 3 280.843 3.202 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCCc2cccc(Cl)c2)C1 ZINC000656617944 419187365 /nfs/dbraw/zinc/18/73/65/419187365.db2.gz RMLALINSJRQQGI-HNNXBMFYSA-N 1 3 280.843 3.202 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941349 419128808 /nfs/dbraw/zinc/12/88/08/419128808.db2.gz RBOPIOJMMXWADS-HUUCEWRRSA-N 1 3 292.854 3.470 20 0 CGADHO CCCOc1ccc(CNC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000657355487 419258500 /nfs/dbraw/zinc/25/85/00/419258500.db2.gz QAUDLVQIMHWCQP-MRXNPFEDSA-N 1 3 290.451 3.215 20 0 CGADHO CCCOc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000657355487 419258503 /nfs/dbraw/zinc/25/85/03/419258503.db2.gz QAUDLVQIMHWCQP-MRXNPFEDSA-N 1 3 290.451 3.215 20 0 CGADHO Fc1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1F ZINC000656785979 419219561 /nfs/dbraw/zinc/21/95/61/419219561.db2.gz OSGZQVQTIUZBLI-CQSZACIVSA-N 1 3 294.389 3.176 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@@H]2c2ccc(F)cc2)CCCC1 ZINC000656789468 419221094 /nfs/dbraw/zinc/22/10/94/419221094.db2.gz OJPAFBHPJUGTPG-CVEARBPZSA-N 1 3 276.399 3.323 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2ncccc12 ZINC000661135883 419234648 /nfs/dbraw/zinc/23/46/48/419234648.db2.gz HBYBRFIKUIWUQZ-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2ncccc12 ZINC000661135883 419234650 /nfs/dbraw/zinc/23/46/50/419234650.db2.gz HBYBRFIKUIWUQZ-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO C(CN1CCC[C@@H]([C@@H]2CCCCO2)C1)C[NH+]1CCCCC1 ZINC000661873263 419309824 /nfs/dbraw/zinc/30/98/24/419309824.db2.gz DTBWFSXBCYJIPO-MSOLQXFVSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@H]1C[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000657590235 419311627 /nfs/dbraw/zinc/31/16/27/419311627.db2.gz YHGDYALTTMLQLS-JZAWBGDQSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657613099 419313248 /nfs/dbraw/zinc/31/32/48/419313248.db2.gz VZLLUGZOBXNFRW-QAPCUYQASA-N 1 3 287.451 3.072 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@H](C)C2 ZINC000657698761 419329582 /nfs/dbraw/zinc/32/95/82/419329582.db2.gz YLSCNKICACSFBR-MYZZLAAOSA-N 1 3 284.447 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)[C@H](C)C2 ZINC000657698761 419329583 /nfs/dbraw/zinc/32/95/83/419329583.db2.gz YLSCNKICACSFBR-MYZZLAAOSA-N 1 3 284.447 3.445 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000662236541 419369410 /nfs/dbraw/zinc/36/94/10/419369410.db2.gz FDKJKDXHEVGDDW-RDJZCZTQSA-N 1 3 272.436 3.038 20 0 CGADHO Cc1ccc(CN(C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662257784 419372765 /nfs/dbraw/zinc/37/27/65/419372765.db2.gz PWZACBJUPMBPDG-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO c1cc2c(s1)CCCN(Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662258797 419375697 /nfs/dbraw/zinc/37/56/97/419375697.db2.gz XSQWKQRROSNAAU-UHFFFAOYSA-N 1 3 298.455 3.342 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657826469 419375649 /nfs/dbraw/zinc/37/56/49/419375649.db2.gz GVOHGLMZGUFQRY-MRXNPFEDSA-N 1 3 278.465 3.124 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662264762 419377383 /nfs/dbraw/zinc/37/73/83/419377383.db2.gz LBFPLNANMJIGQD-MCIONIFRSA-N 1 3 274.399 3.132 20 0 CGADHO FC1(F)CCCC[C@@H]1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662277517 419383167 /nfs/dbraw/zinc/38/31/67/419383167.db2.gz VOBFUMFVHAQLQM-KFWWJZLASA-N 1 3 286.410 3.276 20 0 CGADHO C[NH+](C)[C@H](CNc1nccc2[nH]ccc21)Cc1ccccc1 ZINC000663329023 419560156 /nfs/dbraw/zinc/56/01/56/419560156.db2.gz UYYWGRZOHWQOEZ-HNNXBMFYSA-N 1 3 294.402 3.148 20 0 CGADHO Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663498626 419634975 /nfs/dbraw/zinc/63/49/75/419634975.db2.gz RHDCZJLZLJSMHJ-WGMOCZARSA-N 1 3 290.838 3.318 20 0 CGADHO Cc1cc(Br)ccc1CNCC[C@@H]([NH3+])C(C)C ZINC000663499692 419636733 /nfs/dbraw/zinc/63/67/33/419636733.db2.gz KUMTYJSBTDWIIN-CQSZACIVSA-N 1 3 299.256 3.221 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H](N)C(C)C ZINC000663504072 419639628 /nfs/dbraw/zinc/63/96/28/419639628.db2.gz VSUGOPCKBSLBBL-IAGOWNOFSA-N 1 3 262.441 3.279 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)NCC[C@@H]([NH3+])C(C)C ZINC000663504072 419639636 /nfs/dbraw/zinc/63/96/36/419639636.db2.gz VSUGOPCKBSLBBL-IAGOWNOFSA-N 1 3 262.441 3.279 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663464589 419614697 /nfs/dbraw/zinc/61/46/97/419614697.db2.gz DTUMHDLRUBVINW-WMLDXEAASA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658284431 419729259 /nfs/dbraw/zinc/72/92/59/419729259.db2.gz XTHFLIWJHAKQRC-GFCCVEGCSA-N 1 3 274.399 3.130 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658284431 419729264 /nfs/dbraw/zinc/72/92/64/419729264.db2.gz XTHFLIWJHAKQRC-GFCCVEGCSA-N 1 3 274.399 3.130 20 0 CGADHO CO[C@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CCCC1 ZINC000658316712 419757216 /nfs/dbraw/zinc/75/72/16/419757216.db2.gz RWGNPHZBTMERQG-MRXNPFEDSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)C1CCCC1 ZINC000658316709 419758113 /nfs/dbraw/zinc/75/81/13/419758113.db2.gz RWGNPHZBTMERQG-INIZCTEOSA-N 1 3 282.472 3.044 20 0 CGADHO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(C(C)C)CC1 ZINC000318431542 261080255 /nfs/dbraw/zinc/08/02/55/261080255.db2.gz BHMLPARJONXYLB-UHFFFAOYSA-N 1 3 299.462 3.449 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC000394527034 261383097 /nfs/dbraw/zinc/38/30/97/261383097.db2.gz GCORARDQFLQHBF-GOEBONIOSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394527034 261383098 /nfs/dbraw/zinc/38/30/98/261383098.db2.gz GCORARDQFLQHBF-GOEBONIOSA-N 1 3 252.446 3.406 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC2CCCCCC2)C1 ZINC000394527034 261383099 /nfs/dbraw/zinc/38/30/99/261383099.db2.gz GCORARDQFLQHBF-GOEBONIOSA-N 1 3 252.446 3.406 20 0 CGADHO COc1ccc2cc(C[N@@H+]3C[C@@H](C)[C@](C)(CN)C3)ccc2c1 ZINC000319643485 262345679 /nfs/dbraw/zinc/34/56/79/262345679.db2.gz OVPQRNKMZPDPBF-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO COc1ccc2cc(C[N@H+]3C[C@@H](C)[C@](C)(CN)C3)ccc2c1 ZINC000319643485 262345681 /nfs/dbraw/zinc/34/56/81/262345681.db2.gz OVPQRNKMZPDPBF-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO COc1ccc2cc(CN3C[C@@H](C)[C@](C)(C[NH3+])C3)ccc2c1 ZINC000319643485 262345682 /nfs/dbraw/zinc/34/56/82/262345682.db2.gz OVPQRNKMZPDPBF-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000186502420 270066058 /nfs/dbraw/zinc/06/60/58/270066058.db2.gz DNFFAGTZDVMDII-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181212 270067946 /nfs/dbraw/zinc/06/79/46/270067946.db2.gz YJIHWDSOQFSJPK-MOPGFXCFSA-N 1 3 286.463 3.425 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCCc3ccccc3)CC[C@@H]21 ZINC000187181212 270067947 /nfs/dbraw/zinc/06/79/47/270067947.db2.gz YJIHWDSOQFSJPK-MOPGFXCFSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000227419109 270086923 /nfs/dbraw/zinc/08/69/23/270086923.db2.gz PWWKXQLCRGWCFG-DQYPLSBCSA-N 1 3 276.399 3.349 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000227419109 270086924 /nfs/dbraw/zinc/08/69/24/270086924.db2.gz PWWKXQLCRGWCFG-DQYPLSBCSA-N 1 3 276.399 3.349 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@H](C)C[C@H](C)[NH3+] ZINC000521627155 270102765 /nfs/dbraw/zinc/10/27/65/270102765.db2.gz ZGZLCWFEDKXBIJ-NWDGAFQWSA-N 1 3 254.805 3.172 20 0 CGADHO c1ccc([C@@H]([NH2+]C2CCN(CC3CC3)CC2)C2CCC2)nc1 ZINC000527968686 270147329 /nfs/dbraw/zinc/14/73/29/270147329.db2.gz OSNNGJKLUNCXKA-IBGZPJMESA-N 1 3 299.462 3.387 20 0 CGADHO CC1(C)CC(CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000528385489 270163165 /nfs/dbraw/zinc/16/31/65/270163165.db2.gz ADHNVMCRWSGCME-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO CC1(C)CC(C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)C1 ZINC000528385489 270163166 /nfs/dbraw/zinc/16/31/66/270163166.db2.gz ADHNVMCRWSGCME-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO CC1(C)CC(C[N@H+]2CCC[C@@H](N3CCCC3)CC2)C1 ZINC000528385489 270163167 /nfs/dbraw/zinc/16/31/67/270163167.db2.gz ADHNVMCRWSGCME-MRXNPFEDSA-N 1 3 264.457 3.373 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528393266 270163699 /nfs/dbraw/zinc/16/36/99/270163699.db2.gz FOTWIRVVTAZPQA-OAHLLOKOSA-N 1 3 264.457 3.086 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528393266 270163700 /nfs/dbraw/zinc/16/37/00/270163700.db2.gz FOTWIRVVTAZPQA-OAHLLOKOSA-N 1 3 264.457 3.086 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528393266 270163701 /nfs/dbraw/zinc/16/37/01/270163701.db2.gz FOTWIRVVTAZPQA-OAHLLOKOSA-N 1 3 264.457 3.086 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000528393266 270163702 /nfs/dbraw/zinc/16/37/02/270163702.db2.gz FOTWIRVVTAZPQA-OAHLLOKOSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC(F)(F)C1 ZINC000529530363 270182449 /nfs/dbraw/zinc/18/24/49/270182449.db2.gz DYRJSDYJDNTIHW-MJBXVCDLSA-N 1 3 288.426 3.378 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530216875 270195615 /nfs/dbraw/zinc/19/56/15/270195615.db2.gz QSOKIHPMNPQIQM-IAGOWNOFSA-N 1 3 272.436 3.128 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530215738 270195922 /nfs/dbraw/zinc/19/59/22/270195922.db2.gz IIGUMRJTPRYIHZ-ZWKOTPCHSA-N 1 3 284.447 3.190 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530217727 270196137 /nfs/dbraw/zinc/19/61/37/270196137.db2.gz HFLSRNBCLHBYAE-IRXDYDNUSA-N 1 3 290.426 3.267 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC000531753202 270209119 /nfs/dbraw/zinc/20/91/19/270209119.db2.gz ZEJZGYJNEDNYRO-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072641 270221474 /nfs/dbraw/zinc/22/14/74/270221474.db2.gz RVKUXSLLSBVMPS-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000533072641 270221475 /nfs/dbraw/zinc/22/14/75/270221475.db2.gz RVKUXSLLSBVMPS-FUHWJXTLSA-N 1 3 274.452 3.466 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCCNCC1)CC3 ZINC000335253645 274766813 /nfs/dbraw/zinc/76/68/13/274766813.db2.gz ZZLJCEFHJYDTHF-GJZGRUSLSA-N 1 3 297.446 3.065 20 0 CGADHO CC1(C)CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000163603323 276101862 /nfs/dbraw/zinc/10/18/62/276101862.db2.gz BJQZBJSCHJUVRH-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC1CCC(C[NH2+][C@H]2CCNC[C@@H]2C)CC1 ZINC000414951636 276225833 /nfs/dbraw/zinc/22/58/33/276225833.db2.gz HVHJSMWVKBWHML-LBDPXKHJSA-N 1 3 252.446 3.181 20 0 CGADHO CCCC1CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000414823165 276226158 /nfs/dbraw/zinc/22/61/58/276226158.db2.gz BCLHFJVMZOHTBE-JWMHWRSXSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCOC2(CCC2)C1 ZINC000449057781 276252828 /nfs/dbraw/zinc/25/28/28/276252828.db2.gz DXKFFBZHFHXMIA-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449057781 276252829 /nfs/dbraw/zinc/25/28/29/276252829.db2.gz DXKFFBZHFHXMIA-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CC(C)c1ccc(CCNCC[C@H]2CCC[NH2+]2)cc1 ZINC000259039969 287886638 /nfs/dbraw/zinc/88/66/38/287886638.db2.gz PLQKHOYWXLLFDC-QGZVFWFLSA-N 1 3 260.425 3.084 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414865110 276574262 /nfs/dbraw/zinc/57/42/62/276574262.db2.gz YXOGFDRKGYWDND-RYQLBKOJSA-N 1 3 274.452 3.294 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414937197 287915420 /nfs/dbraw/zinc/91/54/20/287915420.db2.gz ZYAFIKHTIMPILP-BBWFWOEESA-N 1 3 260.425 3.176 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@]1(C)CCCc2ccccc21 ZINC000503052110 277062305 /nfs/dbraw/zinc/06/23/05/277062305.db2.gz JRZWHNJEGAAABS-SJLPKXTDSA-N 1 3 272.436 3.312 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@]1(C)CCCc2ccccc21 ZINC000503052110 277062306 /nfs/dbraw/zinc/06/23/06/277062306.db2.gz JRZWHNJEGAAABS-SJLPKXTDSA-N 1 3 272.436 3.312 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301828 277078876 /nfs/dbraw/zinc/07/88/76/277078876.db2.gz JKTZWUDDPXWKLT-INIZCTEOSA-N 1 3 272.436 3.264 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000348301828 277078877 /nfs/dbraw/zinc/07/88/77/277078877.db2.gz JKTZWUDDPXWKLT-INIZCTEOSA-N 1 3 272.436 3.264 20 0 CGADHO C[NH2+]CCCN(C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130990 277267458 /nfs/dbraw/zinc/26/74/58/277267458.db2.gz YGJRYTPREZFDOC-SJORKVTESA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130990 277267460 /nfs/dbraw/zinc/26/74/60/277267460.db2.gz YGJRYTPREZFDOC-SJORKVTESA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415130990 277267461 /nfs/dbraw/zinc/26/74/61/277267461.db2.gz YGJRYTPREZFDOC-SJORKVTESA-N 1 3 260.425 3.038 20 0 CGADHO CC(C)CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000429057935 277350921 /nfs/dbraw/zinc/35/09/21/277350921.db2.gz BYNQTXPPRJBRQU-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000042857981 277679942 /nfs/dbraw/zinc/67/99/42/277679942.db2.gz XOAHSQRMMZQHIA-HZPDHXFCSA-N 1 3 287.451 3.466 20 0 CGADHO COc1cc(Cl)ccc1[C@H](C)NCCCC[NH+](C)C ZINC000421827697 277821416 /nfs/dbraw/zinc/82/14/16/277821416.db2.gz ZBJMUCROCZWKPP-LBPRGKRZSA-N 1 3 284.831 3.341 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CC[C@H]2C2CCC2)CC(C)(C)N1 ZINC000510737640 278190971 /nfs/dbraw/zinc/19/09/71/278190971.db2.gz SLLVLIMRNDZHQE-GJZGRUSLSA-N 1 3 264.457 3.464 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423127347 278226574 /nfs/dbraw/zinc/22/65/74/278226574.db2.gz BWZADQIFTXQVIB-OBJOEFQTSA-N 1 3 288.357 3.438 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000423127347 278226577 /nfs/dbraw/zinc/22/65/77/278226577.db2.gz BWZADQIFTXQVIB-OBJOEFQTSA-N 1 3 288.357 3.438 20 0 CGADHO C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCCNC1 ZINC000423209861 278253898 /nfs/dbraw/zinc/25/38/98/278253898.db2.gz FMSUHFRWEAWKOX-WMTDPASSSA-N 1 3 294.483 3.235 20 0 CGADHO C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469790 278257459 /nfs/dbraw/zinc/25/74/59/278257459.db2.gz LSIRANZQIHCTMS-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469790 278257460 /nfs/dbraw/zinc/25/74/60/278257460.db2.gz LSIRANZQIHCTMS-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]([NH2+]CCCN(C)C1CCCCC1)[C@@]1(C)CCCO1 ZINC000340469790 278257462 /nfs/dbraw/zinc/25/74/62/278257462.db2.gz LSIRANZQIHCTMS-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@@H]1CC1(C)C ZINC000397789783 288030631 /nfs/dbraw/zinc/03/06/31/288030631.db2.gz ZDFRYRYNZRBERP-KKUMJFAQSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000422956155 278389651 /nfs/dbraw/zinc/38/96/51/278389651.db2.gz KULFSUKTRCCMLA-WBOJAVRRSA-N 1 3 258.409 3.213 20 0 CGADHO CC1(C)Cc2occc2[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000331835640 278400364 /nfs/dbraw/zinc/40/03/64/278400364.db2.gz RUNPFULTTLTKEG-MBNYWOFBSA-N 1 3 262.397 3.153 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[NH2+]CC1)CCC2 ZINC000423129365 278885588 /nfs/dbraw/zinc/88/55/88/278885588.db2.gz RAMRWQVTZYOEAF-RDJZCZTQSA-N 1 3 258.409 3.104 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000423365120 279027289 /nfs/dbraw/zinc/02/72/89/279027289.db2.gz CWIRIBIMCZMMGN-UGUYLWEFSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1nc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)sc1C ZINC000422893700 279082266 /nfs/dbraw/zinc/08/22/66/279082266.db2.gz RADKIRXDXCTGEH-DOMZBBRYSA-N 1 3 295.496 3.203 20 0 CGADHO C[C@@]1(CCc2ccccc2)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261681831 279157696 /nfs/dbraw/zinc/15/76/96/279157696.db2.gz AHSJNKCIGYSYDF-MOPGFXCFSA-N 1 3 286.463 3.331 20 0 CGADHO CCN(CC[NH+]1CCCCCC1)c1ccnc(C)c1 ZINC000343816686 279188765 /nfs/dbraw/zinc/18/87/65/279188765.db2.gz ZUOXEWNEGFDWKH-UHFFFAOYSA-N 1 3 261.413 3.092 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000269008371 279257874 /nfs/dbraw/zinc/25/78/74/279257874.db2.gz MXVKRYOIXUYQEZ-GDBMZVCRSA-N 1 3 288.435 3.363 20 0 CGADHO C[C@H](CNCC1([NH3+])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000414875066 279346674 /nfs/dbraw/zinc/34/66/74/279346674.db2.gz JFCGNOQZAQHMIQ-LLVKDONJSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Br)cc1 ZINC000089139753 279636805 /nfs/dbraw/zinc/63/68/05/279636805.db2.gz PEOBRIBKWYCHTA-JSGCOSHPSA-N 1 3 297.240 3.056 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2C2CC2)C[C@H](C)O1 ZINC000359317429 288160614 /nfs/dbraw/zinc/16/06/14/288160614.db2.gz WBHQPAOUYHJLRJ-CIRFHOKZSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000414777743 280173825 /nfs/dbraw/zinc/17/38/25/280173825.db2.gz YHUORCRRSNYSHL-WNHJNPCNSA-N 1 3 284.447 3.181 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000414775952 280174122 /nfs/dbraw/zinc/17/41/22/280174122.db2.gz WHWWLILXAHWVOE-NBMJBFSESA-N 1 3 284.447 3.038 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Nc1ccccc1 ZINC000422983400 280255855 /nfs/dbraw/zinc/25/58/55/280255855.db2.gz ZHBCKAIMCUWZQM-SZMVWBNQSA-N 1 3 289.467 3.230 20 0 CGADHO CC(C)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Nc1ccccc1 ZINC000422983400 280255857 /nfs/dbraw/zinc/25/58/57/280255857.db2.gz ZHBCKAIMCUWZQM-SZMVWBNQSA-N 1 3 289.467 3.230 20 0 CGADHO CC(C)[C@H]([NH3+])CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414787864 280286973 /nfs/dbraw/zinc/28/69/73/280286973.db2.gz CVKUOWICHQDTFX-BXUZGUMPSA-N 1 3 288.357 3.382 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]C[C@@H](C)CN(C)C)C(C)C)cc1 ZINC000425944825 280838542 /nfs/dbraw/zinc/83/85/42/280838542.db2.gz OHEQWFRGMKZLPQ-AEFFLSMTSA-N 1 3 276.468 3.349 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000530209400 288299931 /nfs/dbraw/zinc/29/99/31/288299931.db2.gz HDTRBOLQDWWWGH-HUUCEWRRSA-N 1 3 250.430 3.062 20 0 CGADHO Cc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@H](N)c3ccccc31)C2 ZINC000423139943 281300336 /nfs/dbraw/zinc/30/03/36/281300336.db2.gz LPHLAMDBNGIQHY-JLSDUUJJSA-N 1 3 294.398 3.033 20 0 CGADHO CC[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000532187438 288353812 /nfs/dbraw/zinc/35/38/12/288353812.db2.gz KTDFLQUCZZCSKK-YCPHGPKFSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000548488574 289009065 /nfs/dbraw/zinc/00/90/65/289009065.db2.gz PFBNASNQCXSQML-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)s1 ZINC000554880198 289316632 /nfs/dbraw/zinc/31/66/32/289316632.db2.gz CGMGERWNBBMPFS-OAHLLOKOSA-N 1 3 292.492 3.474 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)s1 ZINC000554880198 289316635 /nfs/dbraw/zinc/31/66/35/289316635.db2.gz CGMGERWNBBMPFS-OAHLLOKOSA-N 1 3 292.492 3.474 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000414875300 289538500 /nfs/dbraw/zinc/53/85/00/289538500.db2.gz JULPTEMDIQAIJW-OSAQELSMSA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000423517230 289945835 /nfs/dbraw/zinc/94/58/35/289945835.db2.gz BHWKQVDUHUHZNP-IPQZGBMFSA-N 1 3 276.468 3.308 20 0 CGADHO COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512331881 293092857 /nfs/dbraw/zinc/09/28/57/293092857.db2.gz LVUYNFDRFPOIPO-ULQDDVLXSA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512331881 293092859 /nfs/dbraw/zinc/09/28/59/293092859.db2.gz LVUYNFDRFPOIPO-ULQDDVLXSA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331881 293092862 /nfs/dbraw/zinc/09/28/62/293092862.db2.gz LVUYNFDRFPOIPO-ULQDDVLXSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1CCC(C[NH+](C)C)CC1 ZINC000338914288 293201163 /nfs/dbraw/zinc/20/11/63/293201163.db2.gz TXPPCNAIXPJENN-UHFFFAOYSA-N 1 3 289.467 3.287 20 0 CGADHO Clc1ccc(C2(CN[C@@H]3CCC[NH2+]CC3)CCC2)cc1 ZINC000415075030 294103957 /nfs/dbraw/zinc/10/39/57/294103957.db2.gz DRGZNRSRHNUDMT-MRXNPFEDSA-N 1 3 292.854 3.493 20 0 CGADHO Clc1ccc(C2(C[NH2+][C@@H]3CCCNCC3)CCC2)cc1 ZINC000415075030 294103959 /nfs/dbraw/zinc/10/39/59/294103959.db2.gz DRGZNRSRHNUDMT-MRXNPFEDSA-N 1 3 292.854 3.493 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000423079232 295256147 /nfs/dbraw/zinc/25/61/47/295256147.db2.gz QGMLKLPVBULGLW-FJIDUMEYSA-N 1 3 272.436 3.430 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261985321 295258532 /nfs/dbraw/zinc/25/85/32/295258532.db2.gz JRMXENBKVYKHII-ZWKOTPCHSA-N 1 3 288.435 3.004 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422899611 302094293 /nfs/dbraw/zinc/09/42/93/302094293.db2.gz HVMPLWBNFQUKCH-SJORKVTESA-N 1 3 272.436 3.276 20 0 CGADHO NC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)C2CC3CC(C2)CC1C3 ZINC000423521663 303360003 /nfs/dbraw/zinc/36/00/03/303360003.db2.gz GKEFITRZJLKUON-SGUHVSAXSA-N 1 3 288.479 3.308 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424387855 303422407 /nfs/dbraw/zinc/42/24/07/303422407.db2.gz YVOZYRXLGSHGJU-ZJIFWQFVSA-N 1 3 250.430 3.062 20 0 CGADHO CC(C)OCc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000582116257 327876808 /nfs/dbraw/zinc/87/68/08/327876808.db2.gz KWDADBSBOGZVGQ-YJBOKZPZSA-N 1 3 290.451 3.219 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000564822935 322044833 /nfs/dbraw/zinc/04/48/33/322044833.db2.gz QKSCAFSWUGLMJA-ZWKOTPCHSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H](CCN[C@@H]1CCC1(C)C)[NH2+][C@@H]1CCC1(C)C ZINC000565175262 322065379 /nfs/dbraw/zinc/06/53/79/322065379.db2.gz UBZBONVKQGELRV-MGPQQGTHSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC1(C)C)N[C@@H]1CCC1(C)C ZINC000565175262 322065381 /nfs/dbraw/zinc/06/53/81/322065381.db2.gz UBZBONVKQGELRV-MGPQQGTHSA-N 1 3 252.446 3.321 20 0 CGADHO Cc1ccc(-c2nc(CCN[C@H]3CCC[C@@H]([NH3+])C3)co2)cc1 ZINC000565226564 322067928 /nfs/dbraw/zinc/06/79/28/322067928.db2.gz LPNHRZANSJMHJO-CVEARBPZSA-N 1 3 299.418 3.052 20 0 CGADHO CC[NH2+]CCCN[C@H](C)CC(C)(C)c1ccccc1 ZINC000566087995 322103585 /nfs/dbraw/zinc/10/35/85/322103585.db2.gz JXMOWSIUQJKXIP-OAHLLOKOSA-N 1 3 262.441 3.332 20 0 CGADHO CCNCCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000566087995 322103587 /nfs/dbraw/zinc/10/35/87/322103587.db2.gz JXMOWSIUQJKXIP-OAHLLOKOSA-N 1 3 262.441 3.332 20 0 CGADHO CC(C)C[C@H](CN1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000566229877 322110353 /nfs/dbraw/zinc/11/03/53/322110353.db2.gz QZCLAGILAWSCIL-IPMKNSEASA-N 1 3 286.463 3.358 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C[C@H](C)O1 ZINC000566355612 322117252 /nfs/dbraw/zinc/11/72/52/322117252.db2.gz HPDCRJDFKNASRR-VVLHAWIVSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)C1 ZINC000566706551 322134819 /nfs/dbraw/zinc/13/48/19/322134819.db2.gz YLPLLQYVXCJYDK-NUJGCVRESA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)C1 ZINC000566706551 322134820 /nfs/dbraw/zinc/13/48/20/322134820.db2.gz YLPLLQYVXCJYDK-NUJGCVRESA-N 1 3 278.484 3.476 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@H](C)[NH3+])sc1Br ZINC000567734288 322175317 /nfs/dbraw/zinc/17/53/17/322175317.db2.gz ANSOXPZCLNXAFI-IUCAKERBSA-N 1 3 291.258 3.034 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Oc1cccc(C)c1 ZINC000570529571 322275857 /nfs/dbraw/zinc/27/58/57/322275857.db2.gz QSRRBRAZDOEROA-HRCADAONSA-N 1 3 276.424 3.012 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000571482585 322299822 /nfs/dbraw/zinc/29/98/22/322299822.db2.gz DQNOSFXNAPNJNB-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CCCC12CCN(C)CC2 ZINC000571482585 322299824 /nfs/dbraw/zinc/29/98/24/322299824.db2.gz DQNOSFXNAPNJNB-HNNXBMFYSA-N 1 3 252.446 3.229 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000571902885 322311821 /nfs/dbraw/zinc/31/18/21/322311821.db2.gz SFZJMARKXAIJQM-JKSUJKDBSA-N 1 3 250.430 3.195 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000572497286 322340631 /nfs/dbraw/zinc/34/06/31/322340631.db2.gz JLKRVSUCYVTQMX-OFQRWUPVSA-N 1 3 262.372 3.063 20 0 CGADHO C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000573630530 322398487 /nfs/dbraw/zinc/39/84/87/322398487.db2.gz UQPYPVYQXIQVOA-XOKHGSTOSA-N 1 3 294.414 3.168 20 0 CGADHO CC(C)[NH+](CCCNCC1Cc2ccccc2C1)C(C)C ZINC000575909274 322495766 /nfs/dbraw/zinc/49/57/66/322495766.db2.gz VOZWNQZQINZNJK-UHFFFAOYSA-N 1 3 288.479 3.500 20 0 CGADHO CC(C)Oc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000575980083 322498866 /nfs/dbraw/zinc/49/88/66/322498866.db2.gz LFUMRNNCDWJYFZ-WMZOPIPTSA-N 1 3 290.451 3.123 20 0 CGADHO CCC[C@@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000582573841 329109940 /nfs/dbraw/zinc/10/99/40/329109940.db2.gz VNHSHFCTQMORJI-KRWDZBQOSA-N 1 3 262.441 3.454 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000583884471 329525854 /nfs/dbraw/zinc/52/58/54/329525854.db2.gz SBGJHDKTWQJXLP-ARFHVFGLSA-N 1 3 252.446 3.277 20 0 CGADHO COc1cccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423362441 533712199 /nfs/dbraw/zinc/71/21/99/533712199.db2.gz TWRUQORXZDXCKR-CYBMUJFWSA-N 1 3 282.387 3.149 20 0 CGADHO CCN(CCC[NH+](C)C)C[C@H](C)c1ccc(F)cc1 ZINC000576148490 335160664 /nfs/dbraw/zinc/16/06/64/335160664.db2.gz IVXNMFKHFKDSFT-AWEZNQCLSA-N 1 3 266.404 3.203 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000576360823 335194888 /nfs/dbraw/zinc/19/48/88/335194888.db2.gz OHLCVKCWOCYQRN-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO COc1cccc2c1CCC[C@H]2N[C@H](C)CC[NH+](C)C ZINC000577176796 335316499 /nfs/dbraw/zinc/31/64/99/335316499.db2.gz PQCKCOCESMUWST-CZUORRHYSA-N 1 3 276.424 3.002 20 0 CGADHO CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000577528082 335365445 /nfs/dbraw/zinc/36/54/45/335365445.db2.gz CVFPWKVIYKLDFO-DLBZAZTESA-N 1 3 274.452 3.386 20 0 CGADHO CC(C)(C)c1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577528082 335365447 /nfs/dbraw/zinc/36/54/47/335365447.db2.gz CVFPWKVIYKLDFO-DLBZAZTESA-N 1 3 274.452 3.386 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2c1C ZINC000579859353 335911247 /nfs/dbraw/zinc/91/12/47/335911247.db2.gz PEVYFNAMXHZHJZ-LSDHHAIUSA-N 1 3 271.408 3.144 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000385777641 336156447 /nfs/dbraw/zinc/15/64/47/336156447.db2.gz BSZIIUKUJMVIGV-JYVUQVBGSA-N 1 3 270.486 3.015 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(C)cc(Cl)c1 ZINC000339293622 520292525 /nfs/dbraw/zinc/29/25/25/520292525.db2.gz JFIQQSPEOYNIKR-INIZCTEOSA-N 1 3 298.858 3.095 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430907042 533778971 /nfs/dbraw/zinc/77/89/71/533778971.db2.gz AUIDFCLBWWTCMF-UHFFFAOYSA-N 1 3 278.827 3.224 20 0 CGADHO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000358996237 533840360 /nfs/dbraw/zinc/84/03/60/533840360.db2.gz CMPWNHRISAPSNB-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO COc1cccc2c1CC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423359865 533868253 /nfs/dbraw/zinc/86/82/53/533868253.db2.gz PSHLISUTDBEWJY-SFHVURJKSA-N 1 3 294.398 3.076 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(F)c2ccccc21 ZINC000423331780 533897074 /nfs/dbraw/zinc/89/70/74/533897074.db2.gz UVSDIEILCBQWAO-GTNSWQLSSA-N 1 3 272.367 3.367 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccc(C2CC2)c1 ZINC000423387135 534006327 /nfs/dbraw/zinc/00/63/27/534006327.db2.gz HPFSEEDHWQGUDQ-IGCXYCKISA-N 1 3 258.409 3.213 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCc2ccccc21 ZINC000422732866 534075047 /nfs/dbraw/zinc/07/50/47/534075047.db2.gz PQEBVLWLIVJZPL-KBRIMQKVSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC1=CCN(C)CC1 ZINC000449251173 534162364 /nfs/dbraw/zinc/16/23/64/534162364.db2.gz NNLBXFNUAXSPBV-CQSZACIVSA-N 1 3 284.403 3.215 20 0 CGADHO CC(C)C[C@@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000339413424 519776560 /nfs/dbraw/zinc/77/65/60/519776560.db2.gz NBGFLQLPWQPQKN-RDJZCZTQSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)C[C@@H](C[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000339413424 519776561 /nfs/dbraw/zinc/77/65/61/519776561.db2.gz NBGFLQLPWQPQKN-RDJZCZTQSA-N 1 3 260.425 3.097 20 0 CGADHO [NH3+]CCCCN[C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423332127 534605787 /nfs/dbraw/zinc/60/57/87/534605787.db2.gz QQBJEQMLIAHDNQ-GOSISDBHSA-N 1 3 295.386 3.246 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C2CC2)c1 ZINC000423397723 534727461 /nfs/dbraw/zinc/72/74/61/534727461.db2.gz UWBANLIOUDXREU-OLMNPRSZSA-N 1 3 272.436 3.046 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000156586920 524046763 /nfs/dbraw/zinc/04/67/63/524046763.db2.gz CQFROLIRZRFFTA-FRRDWIJNSA-N 1 3 266.454 3.444 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000156586920 524046765 /nfs/dbraw/zinc/04/67/65/524046765.db2.gz CQFROLIRZRFFTA-FRRDWIJNSA-N 1 3 266.454 3.444 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CCCCC2)n1 ZINC000161610723 524894701 /nfs/dbraw/zinc/89/47/01/524894701.db2.gz UTRFMEQRMKVTFU-GOSISDBHSA-N 1 3 287.451 3.403 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2CCCN2CCCCC2)n1 ZINC000161610723 524894709 /nfs/dbraw/zinc/89/47/09/524894709.db2.gz UTRFMEQRMKVTFU-GOSISDBHSA-N 1 3 287.451 3.403 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608815 525457408 /nfs/dbraw/zinc/45/74/08/525457408.db2.gz FYQYMEWAJNVZIL-NVXWUHKLSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1cccc(-n2cccn2)c1 ZINC000183608815 525457418 /nfs/dbraw/zinc/45/74/18/525457418.db2.gz FYQYMEWAJNVZIL-NVXWUHKLSA-N 1 3 298.434 3.007 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(-n2cccn2)c1 ZINC000183608815 525457428 /nfs/dbraw/zinc/45/74/28/525457428.db2.gz FYQYMEWAJNVZIL-NVXWUHKLSA-N 1 3 298.434 3.007 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423286386 527258008 /nfs/dbraw/zinc/25/80/08/527258008.db2.gz GYLDYJUONSXLEO-GXTWGEPZSA-N 1 3 266.816 3.303 20 0 CGADHO C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC000423302312 527615029 /nfs/dbraw/zinc/61/50/29/527615029.db2.gz VKOIMXPXVOSIGL-SWJNODNISA-N 1 3 290.451 3.147 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000423379930 527830322 /nfs/dbraw/zinc/83/03/22/527830322.db2.gz MIPJAZGXHCPTOB-LVQVYYBASA-N 1 3 252.446 3.321 20 0 CGADHO CC1(CN[C@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000423344349 527988207 /nfs/dbraw/zinc/98/82/07/527988207.db2.gz XWDCSXZPXNXLKQ-GOSISDBHSA-N 1 3 295.430 3.150 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)c1ccc(OC)cc1 ZINC000423365408 528238429 /nfs/dbraw/zinc/23/84/29/528238429.db2.gz BPXVLIPXFCNMDW-LXZKKBNFSA-N 1 3 276.424 3.267 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC)[C@H]2CC2(C)C)C1 ZINC000414069920 528261659 /nfs/dbraw/zinc/26/16/59/528261659.db2.gz KSWXMUHVUXWXLE-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423482554 528418873 /nfs/dbraw/zinc/41/88/73/528418873.db2.gz YBVPTCMOYXWGRW-UKPHBRMFSA-N 1 3 278.415 3.153 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423348508 528494318 /nfs/dbraw/zinc/49/43/18/528494318.db2.gz UCGLKNDUGTXQNT-MSOLQXFVSA-N 1 3 274.452 3.233 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@H](N)C1CC1)c1cccs1 ZINC000423322128 528571625 /nfs/dbraw/zinc/57/16/25/528571625.db2.gz NPKYXLUWEMDJDX-STQMWFEESA-N 1 3 252.427 3.162 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423263597 528720182 /nfs/dbraw/zinc/72/01/82/528720182.db2.gz BDMHMVWKZXVEAY-CZUORRHYSA-N 1 3 264.413 3.109 20 0 CGADHO CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367620943 528732321 /nfs/dbraw/zinc/73/23/21/528732321.db2.gz ZBKMPYCNSBMCRG-ZACQAIPSSA-N 1 3 288.435 3.048 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423282869 528951788 /nfs/dbraw/zinc/95/17/88/528951788.db2.gz DEICVBIYVMDVJY-WBVHZDCISA-N 1 3 290.451 3.261 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423290163 528951875 /nfs/dbraw/zinc/95/18/75/528951875.db2.gz ZHGSVGIECPZQLL-MRXNPFEDSA-N 1 3 276.424 3.180 20 0 CGADHO CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccsc1 ZINC000424370159 529020159 /nfs/dbraw/zinc/02/01/59/529020159.db2.gz DDISZCKURCOJST-MGPQQGTHSA-N 1 3 252.427 3.449 20 0 CGADHO CCSCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000368410300 529180156 /nfs/dbraw/zinc/18/01/56/529180156.db2.gz JWBTWPNADYLBMN-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CCSCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000368410300 529180159 /nfs/dbraw/zinc/18/01/59/529180159.db2.gz JWBTWPNADYLBMN-UHFFFAOYSA-N 1 3 270.486 3.126 20 0 CGADHO CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)c1cccs1 ZINC000423321940 529180317 /nfs/dbraw/zinc/18/03/17/529180317.db2.gz GQDBVKQKQBBCEY-TZMCWYRMSA-N 1 3 252.427 3.179 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC)[C@@H]1CCOC1 ZINC000484308170 535932439 /nfs/dbraw/zinc/93/24/39/535932439.db2.gz MCGRDMXZOFOEOP-ZJPYXAASSA-N 1 3 296.499 3.292 20 0 CGADHO CN(CCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450980241 536409664 /nfs/dbraw/zinc/40/96/64/536409664.db2.gz DRSKQWRIBOLRMO-SJPCQFCGSA-N 1 3 292.854 3.440 20 0 CGADHO CN(CCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450980241 536409666 /nfs/dbraw/zinc/40/96/66/536409666.db2.gz DRSKQWRIBOLRMO-SJPCQFCGSA-N 1 3 292.854 3.440 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000512988605 536638456 /nfs/dbraw/zinc/63/84/56/536638456.db2.gz XRZQLRLYZQSYED-RYQLBKOJSA-N 1 3 296.499 3.290 20 0 CGADHO CO[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000512988605 536638464 /nfs/dbraw/zinc/63/84/64/536638464.db2.gz XRZQLRLYZQSYED-RYQLBKOJSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccoc1 ZINC000727465930 571748685 /nfs/dbraw/zinc/74/86/85/571748685.db2.gz POIXIFMRNSTTKC-AWEZNQCLSA-N 1 3 250.386 3.024 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccoc1 ZINC000727465930 571748689 /nfs/dbraw/zinc/74/86/89/571748689.db2.gz POIXIFMRNSTTKC-AWEZNQCLSA-N 1 3 250.386 3.024 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166421228 572815615 /nfs/dbraw/zinc/81/56/15/572815615.db2.gz DPDUWLTZBJKGPE-HUUCEWRRSA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166421228 572815619 /nfs/dbraw/zinc/81/56/19/572815619.db2.gz DPDUWLTZBJKGPE-HUUCEWRRSA-N 1 3 290.426 3.320 20 0 CGADHO Cc1ccc(OC[C@H](C)[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000317184676 617716110 /nfs/dbraw/zinc/71/61/10/617716110.db2.gz WHDUOVUIZRCMKA-ZOCIIQOWSA-N 1 3 296.414 3.497 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@@H](C)c2ccc[nH]2)CC1 ZINC000925646659 619105877 /nfs/dbraw/zinc/10/58/77/619105877.db2.gz WHHZFYMZHIPGDE-AWEZNQCLSA-N 1 3 263.429 3.176 20 0 CGADHO C[C@H]([NH3+])[C@H](NC[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000925661905 619116753 /nfs/dbraw/zinc/11/67/53/619116753.db2.gz FEXOJRCKHHBPCQ-YDHLFZDLSA-N 1 3 282.378 3.490 20 0 CGADHO CC(F)(F)CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925673218 619123956 /nfs/dbraw/zinc/12/39/56/619123956.db2.gz AYSBTVLLLLUUSB-KGLIPLIRSA-N 1 3 274.399 3.180 20 0 CGADHO CCSc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000925733080 619207556 /nfs/dbraw/zinc/20/75/56/619207556.db2.gz SAJFMMAOSHJHBF-ZIAGYGMSSA-N 1 3 264.438 3.158 20 0 CGADHO CCSc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000925733438 619207982 /nfs/dbraw/zinc/20/79/82/619207982.db2.gz UOSQHGGEWTXVAG-DZGCQCFKSA-N 1 3 264.438 3.016 20 0 CGADHO FC1(F)CCNC[C@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000925779856 619242170 /nfs/dbraw/zinc/24/21/70/619242170.db2.gz PTCIWFVFVNFRJU-AAEUAGOBSA-N 1 3 298.402 3.058 20 0 CGADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000925779862 619242391 /nfs/dbraw/zinc/24/23/91/619242391.db2.gz PTCIWFVFVNFRJU-DGCLKSJQSA-N 1 3 298.402 3.058 20 0 CGADHO CC[NH+]1CCC(NCc2cc3c(cccc3O)s2)CC1 ZINC000894150413 619393935 /nfs/dbraw/zinc/39/39/35/619393935.db2.gz KNQHQRPPXCNUEW-UHFFFAOYSA-N 1 3 290.432 3.181 20 0 CGADHO C[C@H](CC[NH+](C)C)NCc1cc2c(cccc2O)s1 ZINC000894210414 619424389 /nfs/dbraw/zinc/42/43/89/619424389.db2.gz BGENFEVBGVSCCK-LLVKDONJSA-N 1 3 278.421 3.037 20 0 CGADHO CCOc1c(Cl)cccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000262053994 619630000 /nfs/dbraw/zinc/63/00/00/619630000.db2.gz ZWZXMUODVJPPHQ-ZDUSSCGKSA-N 1 3 296.842 3.300 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895290240 619797109 /nfs/dbraw/zinc/79/71/09/619797109.db2.gz DODGWWYPMRGDND-LBTBCDHLSA-N 1 3 290.451 3.117 20 0 CGADHO CC(C)O[C@@H](C[NH2+]CC[C@H](C)N(C)C)c1ccccc1 ZINC000895293474 619798484 /nfs/dbraw/zinc/79/84/84/619798484.db2.gz MIBPPTSBKSCJJN-RDJZCZTQSA-N 1 3 278.440 3.083 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000019905681 620141957 /nfs/dbraw/zinc/14/19/57/620141957.db2.gz JRPHQSSDFJIYDC-UHFFFAOYSA-N 1 3 288.357 3.383 20 0 CGADHO C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219666 620235924 /nfs/dbraw/zinc/23/59/24/620235924.db2.gz FOKDVTIHJRKOFE-DAYGRLMNSA-N 1 3 274.452 3.338 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000897500283 620355120 /nfs/dbraw/zinc/35/51/20/620355120.db2.gz DPCQYIHKMRKVJX-ROUUACIJSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902450303 621329014 /nfs/dbraw/zinc/32/90/14/621329014.db2.gz COWIDWHJQHGHQD-JSGCOSHPSA-N 1 3 273.424 3.222 20 0 CGADHO FC(F)(F)C1CCC(NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000902482411 621352572 /nfs/dbraw/zinc/35/25/72/621352572.db2.gz KXDUCOANQOASIG-WXRRBKDZSA-N 1 3 278.362 3.229 20 0 CGADHO CSCC1CCC(NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902483957 621352920 /nfs/dbraw/zinc/35/29/20/621352920.db2.gz TVZVZAUSPSFSQH-NRXISQOPSA-N 1 3 270.486 3.030 20 0 CGADHO CCO[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000902832963 621465968 /nfs/dbraw/zinc/46/59/68/621465968.db2.gz SNRLAELVGBBIOH-WMZOPIPTSA-N 1 3 294.483 3.331 20 0 CGADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC13CCCC3)C2 ZINC000903158403 621603678 /nfs/dbraw/zinc/60/36/78/621603678.db2.gz AHGNROXGRNGCES-WDVRLDOZSA-N 1 3 260.425 3.067 20 0 CGADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC13CCCC3)C2 ZINC000903158403 621603682 /nfs/dbraw/zinc/60/36/82/621603682.db2.gz AHGNROXGRNGCES-WDVRLDOZSA-N 1 3 260.425 3.067 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@]23C[C@@H]2CCCC3)CC1 ZINC000903162495 621607542 /nfs/dbraw/zinc/60/75/42/621607542.db2.gz HVYZLQSWLOJVOW-WMLDXEAASA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1c2cc(F)cc(F)c2CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441264 621750388 /nfs/dbraw/zinc/75/03/88/621750388.db2.gz KEYNIXYMOBEBMR-LOWVWBTDSA-N 1 3 280.362 3.011 20 0 CGADHO FCc1ccccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903752009 621800397 /nfs/dbraw/zinc/80/03/97/621800397.db2.gz OEOYUPIXLBHSGV-RDJZCZTQSA-N 1 3 276.399 3.120 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](N)CC(F)F ZINC000903883023 621826266 /nfs/dbraw/zinc/82/62/66/621826266.db2.gz DLWCOSGJAYGIDX-GXTWGEPZSA-N 1 3 268.351 3.114 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](N)CC(F)F ZINC000903883023 621826269 /nfs/dbraw/zinc/82/62/69/621826269.db2.gz DLWCOSGJAYGIDX-GXTWGEPZSA-N 1 3 268.351 3.114 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](N)CC(F)F)c1C ZINC000903895392 621828119 /nfs/dbraw/zinc/82/81/19/621828119.db2.gz NBURHBLZJZDZPH-ZFWWWQNUSA-N 1 3 282.378 3.423 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](N)CC(F)F)c1C ZINC000903895392 621828122 /nfs/dbraw/zinc/82/81/22/621828122.db2.gz NBURHBLZJZDZPH-ZFWWWQNUSA-N 1 3 282.378 3.423 20 0 CGADHO CC(C)(Cc1ccccc1Cl)NC[C@H]([NH3+])CC(F)F ZINC000903897849 621829363 /nfs/dbraw/zinc/82/93/63/621829363.db2.gz HMZDCBMIJSKUSM-LLVKDONJSA-N 1 3 290.785 3.233 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1csc(Cl)c1Cl ZINC000903978289 621844854 /nfs/dbraw/zinc/84/48/54/621844854.db2.gz DGRKHDLCKHBRCY-RKDXNWHRSA-N 1 3 293.263 3.390 20 0 CGADHO Cc1ccc([C@H]2CC[N@H+](C[C@@]3(C)CCCNC3)C2)cc1 ZINC000904340960 621909253 /nfs/dbraw/zinc/90/92/53/621909253.db2.gz GPRYCHBFERFOAO-ROUUACIJSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccc([C@H]2CC[N@@H+](C[C@@]3(C)CCCNC3)C2)cc1 ZINC000904340960 621909257 /nfs/dbraw/zinc/90/92/57/621909257.db2.gz GPRYCHBFERFOAO-ROUUACIJSA-N 1 3 272.436 3.174 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)CC(C)C)cc1C ZINC000904446014 621923993 /nfs/dbraw/zinc/92/39/93/621923993.db2.gz WIQIBCJBKDGEAH-HIFRSBDPSA-N 1 3 264.413 3.028 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1F ZINC000237761642 624682859 /nfs/dbraw/zinc/68/28/59/624682859.db2.gz QAOMOFRGWIKWNF-UHFFFAOYSA-N 1 3 276.399 3.098 20 0 CGADHO C[C@H]1[C@H](c2ccccc2)CCN1CCC[NH2+]C1CC1 ZINC000923316578 626144989 /nfs/dbraw/zinc/14/49/89/626144989.db2.gz KRNJIAOMYDNGMD-WMLDXEAASA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCNC1CC1 ZINC000923316578 626144991 /nfs/dbraw/zinc/14/49/91/626144991.db2.gz KRNJIAOMYDNGMD-WMLDXEAASA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCNC1CC1 ZINC000923316578 626144995 /nfs/dbraw/zinc/14/49/95/626144995.db2.gz KRNJIAOMYDNGMD-WMLDXEAASA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1CN(Cc2ccccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923502714 626158658 /nfs/dbraw/zinc/15/86/58/626158658.db2.gz DPAKMUJYSCFYSC-VXGBXAGGSA-N 1 3 286.341 3.122 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522295 626161137 /nfs/dbraw/zinc/16/11/37/626161137.db2.gz RTLOJUVPKQTYCT-FPMFFAJLSA-N 1 3 298.352 3.308 20 0 CGADHO C[C@@H]1COCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000762652146 627119207 /nfs/dbraw/zinc/11/92/07/627119207.db2.gz WAJCOYUHJOFSSU-CRAIPNDOSA-N 1 3 294.483 3.046 20 0 CGADHO CC[N@@H+]1C[C@@H](C)N(c2ccnc3cc(OC)ccc32)C[C@H]1C ZINC000765640857 627264651 /nfs/dbraw/zinc/26/46/51/627264651.db2.gz HPERGHUKTSLCKA-ZIAGYGMSSA-N 1 3 299.418 3.162 20 0 CGADHO CC[N@H+]1C[C@@H](C)N(c2ccnc3cc(OC)ccc32)C[C@H]1C ZINC000765640857 627264655 /nfs/dbraw/zinc/26/46/55/627264655.db2.gz HPERGHUKTSLCKA-ZIAGYGMSSA-N 1 3 299.418 3.162 20 0 CGADHO C[C@H]([NH2+]C1CC(C(F)F)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000769550715 627565249 /nfs/dbraw/zinc/56/52/49/627565249.db2.gz DPJVSYCSGBVELD-MRFVTOPCSA-N 1 3 286.410 3.273 20 0 CGADHO CCC(CC)(CN[C@@H](C)CCO)[NH2+][C@@H](C)c1ccccc1 ZINC000779349058 628409546 /nfs/dbraw/zinc/40/95/46/628409546.db2.gz VEZZDQMSMPRQBO-HOTGVXAUSA-N 1 3 292.467 3.257 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000788520965 629062358 /nfs/dbraw/zinc/06/23/58/629062358.db2.gz NBCCCVNMBZTLJK-GOEBONIOSA-N 1 3 271.408 3.130 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@H](C)C[NH+]1CCCC1 ZINC000102423338 634752465 /nfs/dbraw/zinc/75/24/65/634752465.db2.gz YYRWUHHFABUDIX-MOKGIYGOSA-N 1 3 272.436 3.411 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(Cl)nc1 ZINC000817902342 632233248 /nfs/dbraw/zinc/23/32/48/632233248.db2.gz OKYQSQSWPSIQND-DZGCQCFKSA-N 1 3 295.858 3.178 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc(F)c1 ZINC000817948386 632245418 /nfs/dbraw/zinc/24/54/18/632245418.db2.gz ZFACISOXLXEIMI-CYBMUJFWSA-N 1 3 272.367 3.178 20 0 CGADHO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000866282877 633064928 /nfs/dbraw/zinc/06/49/28/633064928.db2.gz SBACKLSORBLZPY-DAYGRLMNSA-N 1 3 288.435 3.145 20 0 CGADHO Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000866396643 633122207 /nfs/dbraw/zinc/12/22/07/633122207.db2.gz AUPNJYJGOBGWQG-WMZOPIPTSA-N 1 3 274.452 3.248 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872019561 633940220 /nfs/dbraw/zinc/94/02/20/633940220.db2.gz WSFGTRDPOJJBTF-IRXDYDNUSA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000872107544 634030173 /nfs/dbraw/zinc/03/01/73/634030173.db2.gz ZQGJVMDJBNRMGU-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](CNCc1cccc2ncccc12)C[NH+]1CCCC1 ZINC000873016085 634232000 /nfs/dbraw/zinc/23/20/00/634232000.db2.gz DTHDHKXPOHSODB-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CC(C)[C@H](C)[N@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873200885 634284874 /nfs/dbraw/zinc/28/48/74/634284874.db2.gz MAXICYQWCDODAL-LBPRGKRZSA-N 1 3 278.465 3.403 20 0 CGADHO CC(C)[C@H](C)[N@@H+](Cc1cc2c(s1)CCNC2)C1CC1 ZINC000873200885 634284882 /nfs/dbraw/zinc/28/48/82/634284882.db2.gz MAXICYQWCDODAL-LBPRGKRZSA-N 1 3 278.465 3.403 20 0 CGADHO CC(C)C[C@H](N)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000841009831 635106394 /nfs/dbraw/zinc/10/63/94/635106394.db2.gz HTEJLUPFHHDLPR-AWEZNQCLSA-N 1 3 252.377 3.024 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(SC(F)(F)F)cc1 ZINC000841050454 635114509 /nfs/dbraw/zinc/11/45/09/635114509.db2.gz FTFSFFCEEJFLGZ-SECBINFHSA-N 1 3 278.343 3.125 20 0 CGADHO CN1CC[C@H]2C[N@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743392 635179943 /nfs/dbraw/zinc/17/99/43/635179943.db2.gz VLUMOIDXUWKFQE-ZSYWTGECSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@H]2C[N@@H+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743392 635179947 /nfs/dbraw/zinc/17/99/47/635179947.db2.gz VLUMOIDXUWKFQE-ZSYWTGECSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743392 635179954 /nfs/dbraw/zinc/17/99/54/635179954.db2.gz VLUMOIDXUWKFQE-ZSYWTGECSA-N 1 3 284.447 3.206 20 0 CGADHO C[N@H+]1CC[C@H]2CN(C[C@@]3(C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877743392 635179961 /nfs/dbraw/zinc/17/99/61/635179961.db2.gz VLUMOIDXUWKFQE-ZSYWTGECSA-N 1 3 284.447 3.206 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000842472707 635378364 /nfs/dbraw/zinc/37/83/64/635378364.db2.gz ITNDZJINXWPOSM-MRXNPFEDSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000842472707 635378371 /nfs/dbraw/zinc/37/83/71/635378371.db2.gz ITNDZJINXWPOSM-MRXNPFEDSA-N 1 3 288.435 3.004 20 0 CGADHO CC(C)(N)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000843060061 635555572 /nfs/dbraw/zinc/55/55/72/635555572.db2.gz BBSZLCWWXLFDJN-UHFFFAOYSA-N 1 3 271.408 3.085 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(SC(F)F)cc1 ZINC000843129930 635563471 /nfs/dbraw/zinc/56/34/71/635563471.db2.gz UWGDDUOSXRJVMC-ZJUUUORDSA-N 1 3 274.380 3.217 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CC[C@H]1CCCC1(F)F)C2 ZINC000878663495 635595482 /nfs/dbraw/zinc/59/54/82/635595482.db2.gz ZYXQUDOTMVYWKQ-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CC[C@H]1CCCC1(F)F)C2 ZINC000878663495 635595485 /nfs/dbraw/zinc/59/54/85/635595485.db2.gz ZYXQUDOTMVYWKQ-CABCVRRESA-N 1 3 286.410 3.230 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@@H](CF)C1)N1CCC[C@@H](CF)C1 ZINC000880233912 635946238 /nfs/dbraw/zinc/94/62/38/635946238.db2.gz AORPDEXHMZSZEU-PMPSAXMXSA-N 1 3 288.426 3.128 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@@H](CF)C1)N1CCC[C@@H](CF)C1 ZINC000880233912 635946241 /nfs/dbraw/zinc/94/62/41/635946241.db2.gz AORPDEXHMZSZEU-PMPSAXMXSA-N 1 3 288.426 3.128 20 0 CGADHO C[C@]1(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@]1(F)Cl ZINC000844923263 635985330 /nfs/dbraw/zinc/98/53/30/635985330.db2.gz KOQLXVWQFGVWMG-LJISPDSOSA-N 1 3 282.790 3.426 20 0 CGADHO Cc1cc(CNCCC[NH+]2CCC2)cc(C)c1OC(F)F ZINC000848545886 636600141 /nfs/dbraw/zinc/60/01/41/636600141.db2.gz MQBTYYQLFBOGON-UHFFFAOYSA-N 1 3 298.377 3.090 20 0 CGADHO N[C@H]1CCCCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883437845 636756682 /nfs/dbraw/zinc/75/66/82/636756682.db2.gz CJJLGKAMROHITN-OLZOCXBDSA-N 1 3 260.372 3.015 20 0 CGADHO N[C@H]1CCCCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883437845 636756691 /nfs/dbraw/zinc/75/66/91/636756691.db2.gz CJJLGKAMROHITN-OLZOCXBDSA-N 1 3 260.372 3.015 20 0 CGADHO Cc1cc(C)c(C[N@@H+](C)C2(CN)CCCCC2)c(C)n1 ZINC000883455295 636759936 /nfs/dbraw/zinc/75/99/36/636759936.db2.gz ZRNCDAQGEDSCMV-UHFFFAOYSA-N 1 3 275.440 3.100 20 0 CGADHO Cc1cc(C)c(C[N@H+](C)C2(CN)CCCCC2)c(C)n1 ZINC000883455295 636759940 /nfs/dbraw/zinc/75/99/40/636759940.db2.gz ZRNCDAQGEDSCMV-UHFFFAOYSA-N 1 3 275.440 3.100 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@H](N(C)C)C3)cc21 ZINC000850173151 636972828 /nfs/dbraw/zinc/97/28/28/636972828.db2.gz IAXOTVSFWVJRMO-ZBFHGGJFSA-N 1 3 285.435 3.439 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCN1C ZINC000850539574 637113445 /nfs/dbraw/zinc/11/34/45/637113445.db2.gz DIEMFOBJDPPYPM-ZWKOTPCHSA-N 1 3 274.452 3.328 20 0 CGADHO Fc1cccc(/C=C\C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000886102268 637412571 /nfs/dbraw/zinc/41/25/71/637412571.db2.gz CDIASMCTQLKDLW-ALCCZGGFSA-N 1 3 288.410 3.445 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886169882 637446729 /nfs/dbraw/zinc/44/67/29/637446729.db2.gz KQLJYJAQHPPYRO-DLBZAZTESA-N 1 3 294.483 3.190 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000886718068 637670540 /nfs/dbraw/zinc/67/05/40/637670540.db2.gz PXQBAEXMSSBDNX-AWEZNQCLSA-N 1 3 286.410 3.372 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000222928736 637834146 /nfs/dbraw/zinc/83/41/46/637834146.db2.gz HFQGYZLRWPQFQM-UHTWSYAYSA-N 1 3 284.350 3.209 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000924577670 638366148 /nfs/dbraw/zinc/36/61/48/638366148.db2.gz LWOPSXIPVYTBMR-ROUUACIJSA-N 1 3 296.499 3.029 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccns1 ZINC000924684748 638388527 /nfs/dbraw/zinc/38/85/27/638388527.db2.gz FPBMVCPRMKLBOG-KGLIPLIRSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccns1 ZINC000924684748 638388538 /nfs/dbraw/zinc/38/85/38/638388538.db2.gz FPBMVCPRMKLBOG-KGLIPLIRSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)CN1CCCCC1 ZINC000924723372 638394175 /nfs/dbraw/zinc/39/41/75/638394175.db2.gz YDESCNLPAJHERU-SQNIBIBYSA-N 1 3 296.499 3.029 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000925195130 638474008 /nfs/dbraw/zinc/47/40/08/638474008.db2.gz SINYKHXVBQVLPZ-UHFFFAOYSA-N 1 3 296.499 3.029 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2cc(F)ccc2F)C1 ZINC000925529694 638520207 /nfs/dbraw/zinc/52/02/07/638520207.db2.gz LKPARSJXRYJGMF-ZIAGYGMSSA-N 1 3 282.378 3.003 20 0 CGADHO CC[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1C ZINC000925575892 638534744 /nfs/dbraw/zinc/53/47/44/638534744.db2.gz IGLCRZBQCPEMFH-OIISXLGYSA-N 1 3 288.435 3.012 20 0 CGADHO CC(C)=CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925655415 638558082 /nfs/dbraw/zinc/55/80/82/638558082.db2.gz ARHAVTPOCJSWKQ-JKSUJKDBSA-N 1 3 250.430 3.101 20 0 CGADHO CSC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCC1 ZINC000925656194 638558256 /nfs/dbraw/zinc/55/82/56/638558256.db2.gz ILADKXWYMAZVFV-LSDHHAIUSA-N 1 3 282.497 3.030 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925674494 638564898 /nfs/dbraw/zinc/56/48/98/638564898.db2.gz ANEUMNAVPVGKLB-FLXSYLCISA-N 1 3 284.447 3.156 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CC(F)(F)F ZINC000925700147 638572715 /nfs/dbraw/zinc/57/27/15/638572715.db2.gz ZBEUIMVCGWBHPX-UBHSHLNASA-N 1 3 292.389 3.333 20 0 CGADHO [NH3+]CCC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccccc1 ZINC000925706061 638573893 /nfs/dbraw/zinc/57/38/93/638573893.db2.gz DXSPXDJRZGLKPS-IPMKNSEASA-N 1 3 296.414 3.235 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925734909 638587595 /nfs/dbraw/zinc/58/75/95/638587595.db2.gz CVIWJXOGQHDBHL-AAEUAGOBSA-N 1 3 297.393 3.325 20 0 CGADHO CC(C)(CN[C@H]1C[C@H]([NH3+])c2ccccc21)CC(F)F ZINC000925733082 638588692 /nfs/dbraw/zinc/58/86/92/638588692.db2.gz FQPPUSYEJSFNGW-STQMWFEESA-N 1 3 268.351 3.402 20 0 CGADHO CC(C)([NH3+])CCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000925740683 638591468 /nfs/dbraw/zinc/59/14/68/638591468.db2.gz KOJUDKOQBAZBJL-CYBMUJFWSA-N 1 3 252.789 3.044 20 0 CGADHO Cc1cc([C@H](NCCC(C)(C)[NH3+])C2CC2)ccc1F ZINC000925742077 638593349 /nfs/dbraw/zinc/59/33/49/638593349.db2.gz OWPIGCXDXAHNDM-OAHLLOKOSA-N 1 3 264.388 3.302 20 0 CGADHO CCC1([NH3+])CCN([C@@H](C)CSC(C)(C)C)CC1 ZINC000925757966 638599690 /nfs/dbraw/zinc/59/96/90/638599690.db2.gz YAXPVNIMBYLZNE-LBPRGKRZSA-N 1 3 258.475 3.110 20 0 CGADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917195 638604394 /nfs/dbraw/zinc/60/43/94/638604394.db2.gz WPMVDGPIBYYOOK-OCCSQVGLSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857917195 638604398 /nfs/dbraw/zinc/60/43/98/638604398.db2.gz WPMVDGPIBYYOOK-OCCSQVGLSA-N 1 3 293.842 3.044 20 0 CGADHO COc1ccc([C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc12 ZINC000925790900 638614827 /nfs/dbraw/zinc/61/48/27/638614827.db2.gz MTZAFPCHYVUNOH-KFWWJZLASA-N 1 3 298.430 3.355 20 0 CGADHO CCSc1ccccc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000925835157 638627419 /nfs/dbraw/zinc/62/74/19/638627419.db2.gz MZUPSWWHJOUELI-GJZGRUSLSA-N 1 3 278.465 3.058 20 0 CGADHO C[C@H](N[C@@H](C)C1(Cl)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119888 638713519 /nfs/dbraw/zinc/71/35/19/638713519.db2.gz RKOAFUYVGCZRLR-IHRRRGAJSA-N 1 3 284.875 3.389 20 0 CGADHO C[C@H](N[C@@H](C)C1(Cl)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119888 638713524 /nfs/dbraw/zinc/71/35/24/638713524.db2.gz RKOAFUYVGCZRLR-IHRRRGAJSA-N 1 3 284.875 3.389 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1coc2ccccc12)CN(C)C ZINC000926469125 638774530 /nfs/dbraw/zinc/77/45/30/638774530.db2.gz FDDUSKXTSGIAHA-STQMWFEESA-N 1 3 260.381 3.281 20 0 CGADHO Cc1nc2c(o1)CCC[C@H]2NC1CCC(C)([NH+](C)C)CC1 ZINC000926794995 638812719 /nfs/dbraw/zinc/81/27/19/638812719.db2.gz CVYXMVINTAKNJQ-XOYHFGRZSA-N 1 3 291.439 3.213 20 0 CGADHO COC[C@H](C[NH2+]C1CCN(CCC(C)C)CC1)C(C)C ZINC000927095935 638841233 /nfs/dbraw/zinc/84/12/33/638841233.db2.gz SIZFLJHEQGXFJY-INIZCTEOSA-N 1 3 284.488 3.005 20 0 CGADHO CCSc1ccccc1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000930557600 639025111 /nfs/dbraw/zinc/02/51/11/639025111.db2.gz GTMQFMLJXCAUBL-KRWDZBQOSA-N 1 3 290.476 3.326 20 0 CGADHO CCSc1ccccc1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000930557600 639025117 /nfs/dbraw/zinc/02/51/17/639025117.db2.gz GTMQFMLJXCAUBL-KRWDZBQOSA-N 1 3 290.476 3.326 20 0 CGADHO C(CC1CCCC1)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288818 639130387 /nfs/dbraw/zinc/13/03/87/639130387.db2.gz VABGKARACKRIDW-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO C(CC1CCCC1)CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288818 639130393 /nfs/dbraw/zinc/13/03/93/639130393.db2.gz VABGKARACKRIDW-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO CC(C)CSCCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310340 639132740 /nfs/dbraw/zinc/13/27/40/639132740.db2.gz DGVKHYQVIDFMLX-HZPDHXFCSA-N 1 3 284.513 3.039 20 0 CGADHO Cc1cc(C)nc(CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000931704848 639192978 /nfs/dbraw/zinc/19/29/78/639192978.db2.gz ZJULQSSTNYCEEW-UHFFFAOYSA-N 1 3 289.467 3.396 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000304555941 640865268 /nfs/dbraw/zinc/86/52/68/640865268.db2.gz GCSZQZLGWHMBJK-JTQLQIEISA-N 1 3 285.229 3.227 20 0 CGADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCC1CCCCCCC1 ZINC001253406825 806215707 /nfs/dbraw/zinc/21/57/07/806215707.db2.gz WYKFKRDOCRRBDG-INIZCTEOSA-N 1 3 284.488 3.076 20 0 CGADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCC1CCCCCCC1 ZINC001253406825 806215710 /nfs/dbraw/zinc/21/57/10/806215710.db2.gz WYKFKRDOCRRBDG-INIZCTEOSA-N 1 3 284.488 3.076 20 0 CGADHO CN(C[C@H](O)C(C)(C)C)C1CC[NH+](C2CCCCC2)CC1 ZINC001253732324 806288143 /nfs/dbraw/zinc/28/81/43/806288143.db2.gz JUMMHGMMQMLKPS-KRWDZBQOSA-N 1 3 296.499 3.122 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505920 806425890 /nfs/dbraw/zinc/42/58/90/806425890.db2.gz LXIAVQDUUJKWHL-GDBMZVCRSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001254505920 806425895 /nfs/dbraw/zinc/42/58/95/806425895.db2.gz LXIAVQDUUJKWHL-GDBMZVCRSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@@H+]1CCC[C@@H](NC(C)(C)c2cccc(F)c2)CC1 ZINC001254506089 806426004 /nfs/dbraw/zinc/42/60/04/806426004.db2.gz PBDNDHQHNFCCEE-OAHLLOKOSA-N 1 3 264.388 3.135 20 0 CGADHO C[N@H+]1CCC[C@@H](NC(C)(C)c2cccc(F)c2)CC1 ZINC001254506089 806426006 /nfs/dbraw/zinc/42/60/06/806426006.db2.gz PBDNDHQHNFCCEE-OAHLLOKOSA-N 1 3 264.388 3.135 20 0 CGADHO COc1ccccc1C1([NH2+][C@H]2CCCN(C)CC2)CCC1 ZINC001254510686 806429801 /nfs/dbraw/zinc/42/98/01/806429801.db2.gz PJZYLDLSBSXCKE-HNNXBMFYSA-N 1 3 288.435 3.148 20 0 CGADHO C[NH+](C)CC[C@@H](NC1CCSCC1)c1ccccc1 ZINC001255080579 806537054 /nfs/dbraw/zinc/53/70/54/806537054.db2.gz SBMYDEPYDFIXRM-MRXNPFEDSA-N 1 3 278.465 3.165 20 0 CGADHO Cc1cc2cc(NC[C@]3(F)CCCC[NH2+]C3)ccc2cn1 ZINC001162586624 806624498 /nfs/dbraw/zinc/62/44/98/806624498.db2.gz XLRNGPDSOBLTJR-KRWDZBQOSA-N 1 3 287.382 3.437 20 0 CGADHO FC1(F)CC(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255381066 806629980 /nfs/dbraw/zinc/62/99/80/806629980.db2.gz OXXPRJPZUXRLJS-OAHLLOKOSA-N 1 3 294.389 3.428 20 0 CGADHO FC1(F)CC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381066 806629985 /nfs/dbraw/zinc/62/99/85/806629985.db2.gz OXXPRJPZUXRLJS-OAHLLOKOSA-N 1 3 294.389 3.428 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC001255532789 806665857 /nfs/dbraw/zinc/66/58/57/806665857.db2.gz JCWSRSOIROXCAT-OAHLLOKOSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC001255533234 806666398 /nfs/dbraw/zinc/66/63/98/806666398.db2.gz XQBKZVCSIZWMGV-WBVHZDCISA-N 1 3 290.451 3.041 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC001255533234 806666401 /nfs/dbraw/zinc/66/64/01/806666401.db2.gz XQBKZVCSIZWMGV-WBVHZDCISA-N 1 3 290.451 3.041 20 0 CGADHO C[C@@H]([NH3+])c1ccc2c(ccn2-c2ccc(CN(C)C)cn2)c1 ZINC001162902242 806682142 /nfs/dbraw/zinc/68/21/42/806682142.db2.gz FXQMSYJSXBYZQM-CYBMUJFWSA-N 1 3 294.402 3.107 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC000315751900 799238424 /nfs/dbraw/zinc/23/84/24/799238424.db2.gz GRUJXUHSEIHOHH-HUUCEWRRSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000381951869 799391070 /nfs/dbraw/zinc/39/10/70/799391070.db2.gz CWVRRDKVHOXYDA-VXLLPVPCSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC([NH+]2CCC(Cc3ccccc3)CC2)C[C@@H](C)N1 ZINC000385909284 799429185 /nfs/dbraw/zinc/42/91/85/799429185.db2.gz GBXGLACLDAURGT-HZPDHXFCSA-N 1 3 286.463 3.470 20 0 CGADHO CC(C)(C)SCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000397293736 799515205 /nfs/dbraw/zinc/51/52/05/799515205.db2.gz YLOYAXIMQOQIEN-ZIAGYGMSSA-N 1 3 264.438 3.253 20 0 CGADHO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950647 799741694 /nfs/dbraw/zinc/74/16/94/799741694.db2.gz YWQASWCPPYKBCS-RISCZKNCSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687950647 799741700 /nfs/dbraw/zinc/74/17/00/799741700.db2.gz YWQASWCPPYKBCS-RISCZKNCSA-N 1 3 264.438 3.014 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3)C[C@H]2C1 ZINC001255879495 806781161 /nfs/dbraw/zinc/78/11/61/806781161.db2.gz GEIYQMJPFPARIX-USXIJHARSA-N 1 3 290.426 3.030 20 0 CGADHO C[C@H](CC[NH2+]C1CC(c2cccc(F)c2)C1)N(C)C ZINC000697909891 799849674 /nfs/dbraw/zinc/84/96/74/799849674.db2.gz QGRWSJXXIQDNQZ-XEBKBJJBSA-N 1 3 264.388 3.002 20 0 CGADHO CC[NH+](CC)CC[C@H](C)n1c2ccccc2nc1[C@H](C)N ZINC001255940858 806789456 /nfs/dbraw/zinc/78/94/56/806789456.db2.gz HNWZWZZZRJZIFJ-KBPBESRZSA-N 1 3 288.439 3.349 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001255945874 806792393 /nfs/dbraw/zinc/79/23/93/806792393.db2.gz OIZNIJMJRRRVIP-CQSZACIVSA-N 1 3 299.503 3.107 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000709828620 800020873 /nfs/dbraw/zinc/02/08/73/800020873.db2.gz PGUHMBSNPZJQNZ-OFLPRAFFSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000709828620 800020880 /nfs/dbraw/zinc/02/08/80/800020880.db2.gz PGUHMBSNPZJQNZ-OFLPRAFFSA-N 1 3 264.457 3.277 20 0 CGADHO c1ccc(C2CC2)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709872025 800021813 /nfs/dbraw/zinc/02/18/13/800021813.db2.gz WXXQOTBVEOBKDZ-GOSISDBHSA-N 1 3 270.420 3.140 20 0 CGADHO CC1(C[N@H+]2CC[C@@]3(C2)CCCNC3)CCCCC1 ZINC000709889651 800022394 /nfs/dbraw/zinc/02/23/94/800022394.db2.gz CVPCLKURPHXDSL-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO CC1(C[N@@H+]2CC[C@@]3(C2)CCCNC3)CCCCC1 ZINC000709889651 800022386 /nfs/dbraw/zinc/02/23/86/800022386.db2.gz CVPCLKURPHXDSL-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)c1cccc(C)n1 ZINC001255953065 806796393 /nfs/dbraw/zinc/79/63/93/806796393.db2.gz IFMNIBWGQKSBDL-OAHLLOKOSA-N 1 3 291.483 3.378 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1([C@H]2CCOC(C)(C)C2)CC1 ZINC001255955448 806798096 /nfs/dbraw/zinc/79/80/96/806798096.db2.gz UGFWLVULODCDCG-CVEARBPZSA-N 1 3 296.499 3.434 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N1CCC(C(C)C)CC1 ZINC001255967548 806803023 /nfs/dbraw/zinc/80/30/23/806803023.db2.gz QTCOOGACTQXQTJ-OAHLLOKOSA-N 1 3 254.462 3.475 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH+]1CCC(C(C)C)CC1 ZINC001255967548 806803032 /nfs/dbraw/zinc/80/30/32/806803032.db2.gz QTCOOGACTQXQTJ-OAHLLOKOSA-N 1 3 254.462 3.475 20 0 CGADHO C[NH+](C)C1(C)CCC(NCc2c(F)cccc2F)CC1 ZINC000715571295 800139798 /nfs/dbraw/zinc/13/97/98/800139798.db2.gz HFYDYRVNFXQQIJ-UHFFFAOYSA-N 1 3 282.378 3.317 20 0 CGADHO C[C@@H](F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716654748 800177054 /nfs/dbraw/zinc/17/70/54/800177054.db2.gz KTRMPGVXUGCKJO-SPUZQDLCSA-N 1 3 290.426 3.377 20 0 CGADHO C[C@H](F)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716654747 800177092 /nfs/dbraw/zinc/17/70/92/800177092.db2.gz KTRMPGVXUGCKJO-OWLYRPNTSA-N 1 3 290.426 3.377 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924572661 800626025 /nfs/dbraw/zinc/62/60/25/800626025.db2.gz SJLCNNXMMAXUBD-HJOIGYKYSA-N 1 3 294.483 3.188 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(C[C@@H](COC)C(C)C)CC1 ZINC000931464121 800653042 /nfs/dbraw/zinc/65/30/42/800653042.db2.gz IXIHMWKXKWSMMX-KRWDZBQOSA-N 1 3 296.499 3.245 20 0 CGADHO CCC1CCC([NH+](CCCN(C)C)CCCN(C)C)CC1 ZINC001256875352 806998895 /nfs/dbraw/zinc/99/88/95/806998895.db2.gz VSOSTZCAVVDVQO-UHFFFAOYSA-N 1 3 297.531 3.161 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811890 813442798 /nfs/dbraw/zinc/44/27/98/813442798.db2.gz WOZVGGNYGAUDMM-HOTGVXAUSA-N 1 3 290.451 3.341 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246065125 804106565 /nfs/dbraw/zinc/10/65/65/804106565.db2.gz JQDJIHOBGHLXNP-GJZGRUSLSA-N 1 3 252.446 3.323 20 0 CGADHO Clc1cc2c(cc1Cl)C[C@H]([NH2+]C1CCNCC1)CC2 ZINC001246078771 804115679 /nfs/dbraw/zinc/11/56/79/804115679.db2.gz MYGSSMXTIMBMHW-CYBMUJFWSA-N 1 3 299.245 3.192 20 0 CGADHO CCCCCC1CCC([NH2+][C@@]2(C)CCNC2)CC1 ZINC001246099060 804132246 /nfs/dbraw/zinc/13/22/46/804132246.db2.gz VJACRTOFYAICBW-GPANFISMSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246108878 804141438 /nfs/dbraw/zinc/14/14/38/804141438.db2.gz HCMSTTMNBXCHQS-CGTJXYLNSA-N 1 3 274.452 3.374 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)N[C@@H]1CCC[NH2+]C1 ZINC001246112900 804144719 /nfs/dbraw/zinc/14/47/19/804144719.db2.gz VDOFYEBUCFYFAV-ZIAGYGMSSA-N 1 3 296.480 3.412 20 0 CGADHO CC1(C)CCC[C@H](NC[C@]2(F)CCCC[NH2+]C2)C1 ZINC001246116165 804148042 /nfs/dbraw/zinc/14/80/42/804148042.db2.gz VBPSDECQVMIDIJ-ZFWWWQNUSA-N 1 3 256.409 3.027 20 0 CGADHO c1ccc(C2CCC([NH2+][C@H]3CNCC34CC4)CC2)cc1 ZINC001246134157 804158767 /nfs/dbraw/zinc/15/87/67/804158767.db2.gz PKAFEFJABGXKRZ-JCYILVPMSA-N 1 3 270.420 3.054 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246152810 804170721 /nfs/dbraw/zinc/17/07/21/804170721.db2.gz ORMBHIFUGXEHSS-HOTGVXAUSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C[C@H](C)N1 ZINC001246173249 804187628 /nfs/dbraw/zinc/18/76/28/804187628.db2.gz RYRMMVMHQZHLRH-QHQBAMHZSA-N 1 3 276.468 3.321 20 0 CGADHO CC[C@H]1C[C@@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246176679 804190462 /nfs/dbraw/zinc/19/04/62/804190462.db2.gz QRPUTOIPNCGMEL-GJZGRUSLSA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CCCOc2cccc(Cl)c2)CCN1 ZINC001246176679 804190467 /nfs/dbraw/zinc/19/04/67/804190467.db2.gz QRPUTOIPNCGMEL-GJZGRUSLSA-N 1 3 296.842 3.229 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246177635 804192693 /nfs/dbraw/zinc/19/26/93/804192693.db2.gz CLAYCBNHEGIMRI-JVULPWBXSA-N 1 3 276.468 3.466 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CN1 ZINC001246179272 804193468 /nfs/dbraw/zinc/19/34/68/804193468.db2.gz LMBQPZOGKCOCSP-QCZSZBADSA-N 1 3 262.441 3.075 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC001246213167 804210555 /nfs/dbraw/zinc/21/05/55/804210555.db2.gz ZEMDFGXKHBTJSS-NXHRZFHOSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246218933 804213392 /nfs/dbraw/zinc/21/33/92/804213392.db2.gz AHBQSHLMZJZAJL-KURKYZTESA-N 1 3 292.442 3.181 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCCc2ccccc2F)CC[NH2+]1 ZINC001246229901 804223139 /nfs/dbraw/zinc/22/31/39/804223139.db2.gz MXXGZEJEHXJZKF-NVXWUHKLSA-N 1 3 278.415 3.125 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232313 804224623 /nfs/dbraw/zinc/22/46/23/804224623.db2.gz WZNAPUPEFMCTOB-KSWRQPAISA-N 1 3 264.457 3.466 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246240275 804232651 /nfs/dbraw/zinc/23/26/51/804232651.db2.gz QPHKUGAGMINBEY-WCVJEAGWSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246268947 804247167 /nfs/dbraw/zinc/24/71/67/804247167.db2.gz BPGQDNDEWULHON-SWLSCSKDSA-N 1 3 280.843 3.391 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246275635 804251620 /nfs/dbraw/zinc/25/16/20/804251620.db2.gz BFIVAKRCJJFXHQ-DFBGVHRSSA-N 1 3 299.245 3.320 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1CCC[C@H]1[NH3+] ZINC001246283085 804259260 /nfs/dbraw/zinc/25/92/60/804259260.db2.gz ZCHHYCOJIRBSAW-FZQKWOKYSA-N 1 3 287.234 3.394 20 0 CGADHO c1ccc([C@@H]([NH2+][C@H]2CCCCNC2)C2CCC2)cc1 ZINC001246286969 804260536 /nfs/dbraw/zinc/26/05/36/804260536.db2.gz JBMCMQNHPOHJRG-DLBZAZTESA-N 1 3 258.409 3.260 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H](c2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246287010 804260816 /nfs/dbraw/zinc/26/08/16/804260816.db2.gz JONHIMVEJFGELH-COXVUDFISA-N 1 3 258.409 3.258 20 0 CGADHO CC(C)C[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1 ZINC001246294382 804263762 /nfs/dbraw/zinc/26/37/62/804263762.db2.gz WNTJHWJJIDXXIH-CVEARBPZSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246327929 804283773 /nfs/dbraw/zinc/28/37/73/804283773.db2.gz VGANSJSPKUHJGM-DDBAPUKQSA-N 1 3 272.436 3.443 20 0 CGADHO CCCCCCOC(=O)CCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246338902 804292980 /nfs/dbraw/zinc/29/29/80/804292980.db2.gz DEOBWSKTXFQBFS-MRXNPFEDSA-N 1 3 298.471 3.012 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CCN1 ZINC001246345498 804296006 /nfs/dbraw/zinc/29/60/06/804296006.db2.gz BLOUYINMZCOKBY-RBSFLKMASA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@H]1CC[NH2+]CC1(C)C ZINC001246369973 804307905 /nfs/dbraw/zinc/30/79/05/804307905.db2.gz DQHCRPPWKALIAO-ABAIWWIYSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CCNCC1(C)C ZINC001246369973 804307918 /nfs/dbraw/zinc/30/79/18/804307918.db2.gz DQHCRPPWKALIAO-ABAIWWIYSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CCC2)CCN1 ZINC001246387517 804317495 /nfs/dbraw/zinc/31/74/95/804317495.db2.gz GJZNPLCHNZNJJA-GDBMZVCRSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246395346 804319879 /nfs/dbraw/zinc/31/98/79/804319879.db2.gz VFQQLQWYMUFCFF-BBRMVZONSA-N 1 3 276.399 3.021 20 0 CGADHO CC[C@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246395566 804320106 /nfs/dbraw/zinc/32/01/06/804320106.db2.gz WHNBMTPKWMOCLZ-DZGCQCFKSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@@H](C)[NH2+]C1(Cc2ccccc2Cl)CCNCC1 ZINC001246395799 804320462 /nfs/dbraw/zinc/32/04/62/804320462.db2.gz XCHJAWHSWXKYNI-CYBMUJFWSA-N 1 3 280.843 3.393 20 0 CGADHO CCC1([NH2+]C2CCc3ccccc3CC2)CCNCC1 ZINC001246424159 804327600 /nfs/dbraw/zinc/32/76/00/804327600.db2.gz OZKMFYBKEYAUMI-UHFFFAOYSA-N 1 3 272.436 3.056 20 0 CGADHO CCC1([NH2+][C@H](C)CCc2ccc(C)cc2)CCNCC1 ZINC001246424761 804328937 /nfs/dbraw/zinc/32/89/37/804328937.db2.gz TWRSHFGJOVLQMT-MRXNPFEDSA-N 1 3 274.452 3.438 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+]C2(CC)CCNCC2)cc1 ZINC001246425510 804329731 /nfs/dbraw/zinc/32/97/31/804329731.db2.gz XARAVLPVTBSRJY-HNNXBMFYSA-N 1 3 274.452 3.302 20 0 CGADHO COc1ccc2cc(CC[C@H](C)NC3(C[NH3+])CC3)ccc2c1 ZINC001246444536 804333143 /nfs/dbraw/zinc/33/31/43/804333143.db2.gz CLNRQYOLBOABAO-AWEZNQCLSA-N 1 3 298.430 3.250 20 0 CGADHO CC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246438986 804333320 /nfs/dbraw/zinc/33/33/20/804333320.db2.gz MFPMUQOBEIPUME-IRXDYDNUSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)C[C@H](C)N1 ZINC001246441141 804333680 /nfs/dbraw/zinc/33/36/80/804333680.db2.gz YVDSODSEXNFXRD-XOIINTDNSA-N 1 3 290.426 3.267 20 0 CGADHO CC[C@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444598 804334380 /nfs/dbraw/zinc/33/43/80/804334380.db2.gz AILZTZZOKAOPGY-HOCLYGCPSA-N 1 3 264.457 3.467 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](C)CCc2ccc(C)cc2)CCN1 ZINC001246457313 804338043 /nfs/dbraw/zinc/33/80/43/804338043.db2.gz SCQVAOUFNLHOJV-AEFFLSMTSA-N 1 3 274.452 3.438 20 0 CGADHO CC[C@]1([NH2+]C2CCC(C(C)(C)C)CC2)CCNC1 ZINC001246457176 804338383 /nfs/dbraw/zinc/33/83/83/804338383.db2.gz CYBATSORSUVGDK-XUJLQICISA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@]1([NH2+]C2CCC3(CCCC3)CC2)CCNC1 ZINC001246456416 804338889 /nfs/dbraw/zinc/33/88/89/804338889.db2.gz ACTOUOKXOYIURZ-INIZCTEOSA-N 1 3 250.430 3.221 20 0 CGADHO C[NH2+][C@H]1C[C@H](N[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001246458673 804340083 /nfs/dbraw/zinc/34/00/83/804340083.db2.gz AXUKTTXFANPZQS-JHJVBQTASA-N 1 3 299.245 3.191 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](NC)C1 ZINC001246461006 804341422 /nfs/dbraw/zinc/34/14/22/804341422.db2.gz MPPGBGQKWLVMDP-ULQDDVLXSA-N 1 3 260.425 3.128 20 0 CGADHO CN[C@H]1C[C@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246460480 804342300 /nfs/dbraw/zinc/34/23/00/804342300.db2.gz IWUPJRJXUHIGKY-KKUMJFAQSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246464229 804343483 /nfs/dbraw/zinc/34/34/83/804343483.db2.gz IRNKWNJBKIHOCE-RHSMWYFYSA-N 1 3 290.426 3.269 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001246472551 804348810 /nfs/dbraw/zinc/34/88/10/804348810.db2.gz GWTXNKIGJFRWOU-WJFTUGDTSA-N 1 3 284.447 3.152 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CCNCC12CC2 ZINC001246472791 804348915 /nfs/dbraw/zinc/34/89/15/804348915.db2.gz IWXMQVJNZSDSGO-ZNMIVQPWSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@@H]1C[C@@H](NC[C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246472536 804349744 /nfs/dbraw/zinc/34/97/44/804349744.db2.gz GUUBIVKPRDCBSO-OAGGEKHMSA-N 1 3 287.451 3.096 20 0 CGADHO CC[C@@H]1CC(NC[C@@H]2CNc3ccccc32)C[C@@H](CC)[NH2+]1 ZINC001246476141 804352166 /nfs/dbraw/zinc/35/21/66/804352166.db2.gz WLEHNSRURIYLBF-RBSFLKMASA-N 1 3 287.451 3.095 20 0 CGADHO C1=C[C@H](NC2CCC(c3ccccc3)CC2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001246477006 804353036 /nfs/dbraw/zinc/35/30/36/804353036.db2.gz YEMFQXNUPIYHQK-MYZTUTKLSA-N 1 3 282.431 3.076 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)[C@H]2C[NH2+]C[C@H]12 ZINC001246476569 804353356 /nfs/dbraw/zinc/35/33/56/804353356.db2.gz XSONGMKUBULGFU-OYSTVDSJSA-N 1 3 282.431 3.076 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246493596 804358737 /nfs/dbraw/zinc/35/87/37/804358737.db2.gz IJCGCPHTHXVVRL-YOEHRIQHSA-N 1 3 291.483 3.243 20 0 CGADHO C1[NH2+][C@H]2C[C@@H]1C[C@@H]2N[C@@H]1CCCC2(CCCCC2)C1 ZINC001246495340 804360366 /nfs/dbraw/zinc/36/03/66/804360366.db2.gz OOTJPWSBXVLVNB-WCVJEAGWSA-N 1 3 262.441 3.220 20 0 CGADHO CNc1cccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246505011 804365916 /nfs/dbraw/zinc/36/59/16/804365916.db2.gz KBWGURONKFCURK-RBUKOAKNSA-N 1 3 295.430 3.311 20 0 CGADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)Cc1c(F)cccc1Cl ZINC001246507711 804366005 /nfs/dbraw/zinc/36/60/05/804366005.db2.gz ZCMIHFIQURIZAL-RYUDHWBXSA-N 1 3 286.822 3.373 20 0 CGADHO C1CC([C@H]([NH2+]C2CCCCCCC2)C2CNC2)C1 ZINC001246514388 804369328 /nfs/dbraw/zinc/36/93/28/804369328.db2.gz GULZEHGMHZCPCE-INIZCTEOSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@H](C(C)C)C2C[NH2+]C2)cc1 ZINC001246519247 804371758 /nfs/dbraw/zinc/37/17/58/804371758.db2.gz RHPLUAUKBPCHFV-RHSMWYFYSA-N 1 3 292.492 3.309 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CCN1 ZINC001246516427 804371876 /nfs/dbraw/zinc/37/18/76/804371876.db2.gz SLYFHGXAVZHFKW-AEFFLSMTSA-N 1 3 272.436 3.054 20 0 CGADHO CCCC[C@H](CCC)[NH2+][C@H](C1CCC1)C1CNC1 ZINC001246517372 804372305 /nfs/dbraw/zinc/37/23/05/804372305.db2.gz KXHXZYKEJRJHKU-JKSUJKDBSA-N 1 3 252.446 3.323 20 0 CGADHO CCC[N@H+](CC1CC1)C1C[C@@H](CC)N[C@H](CC)C1 ZINC001246531073 804384120 /nfs/dbraw/zinc/38/41/20/804384120.db2.gz MLPJZSZSDSEBNW-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[N@@H+](CC1CC1)C1C[C@@H](CC)N[C@H](CC)C1 ZINC001246531073 804384127 /nfs/dbraw/zinc/38/41/27/804384127.db2.gz MLPJZSZSDSEBNW-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[N@@H+]1CCC[C@H](N)C1 ZINC001246537370 804385729 /nfs/dbraw/zinc/38/57/29/804385729.db2.gz VZEHVNFPZQTRGX-KGLIPLIRSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H](N)C1 ZINC001246537370 804385738 /nfs/dbraw/zinc/38/57/38/804385738.db2.gz VZEHVNFPZQTRGX-KGLIPLIRSA-N 1 3 296.480 3.493 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@]23CCCNC3)C[C@@H](C)C1 ZINC001246606252 804441422 /nfs/dbraw/zinc/44/14/22/804441422.db2.gz DJDFKLRVHHASLF-JJXSEGSLSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@]23CCCNC3)C[C@@H](C)C1 ZINC001246606252 804441423 /nfs/dbraw/zinc/44/14/23/804441423.db2.gz DJDFKLRVHHASLF-JJXSEGSLSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246612070 804446348 /nfs/dbraw/zinc/44/63/48/804446348.db2.gz WRLCDSAZPSORBL-LJQANCHMSA-N 1 3 284.447 3.152 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CCC[C@@]13CCCNC3)CC2 ZINC001246612070 804446352 /nfs/dbraw/zinc/44/63/52/804446352.db2.gz WRLCDSAZPSORBL-LJQANCHMSA-N 1 3 284.447 3.152 20 0 CGADHO CC(C)=CCC[C@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC001246611991 804447426 /nfs/dbraw/zinc/44/74/26/804447426.db2.gz VXWWPJWRDOIRPJ-HOTGVXAUSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246611991 804447429 /nfs/dbraw/zinc/44/74/29/804447429.db2.gz VXWWPJWRDOIRPJ-HOTGVXAUSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246611991 804447433 /nfs/dbraw/zinc/44/74/33/804447433.db2.gz VXWWPJWRDOIRPJ-HOTGVXAUSA-N 1 3 250.430 3.339 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@@]3(CCC[NH2+]3)C2)CC(C)(C)C1 ZINC001246619927 804454053 /nfs/dbraw/zinc/45/40/53/804454053.db2.gz MTUNAJWKGPXHJE-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246623714 804455728 /nfs/dbraw/zinc/45/57/28/804455728.db2.gz MODBZJNEQPQALO-IPMKNSEASA-N 1 3 286.463 3.328 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246623714 804455731 /nfs/dbraw/zinc/45/57/31/804455731.db2.gz MODBZJNEQPQALO-IPMKNSEASA-N 1 3 286.463 3.328 20 0 CGADHO C1C[C@@]2(CC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638445 804467285 /nfs/dbraw/zinc/46/72/85/804467285.db2.gz SFLHXXXSUMJFRY-RDJZCZTQSA-N 1 3 262.441 3.317 20 0 CGADHO C1C[C@@]2(CC[N@H+]([C@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638445 804467288 /nfs/dbraw/zinc/46/72/88/804467288.db2.gz SFLHXXXSUMJFRY-RDJZCZTQSA-N 1 3 262.441 3.317 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC12CCNCC2 ZINC001246643086 804470663 /nfs/dbraw/zinc/47/06/63/804470663.db2.gz QEIZARIIUZCVEZ-SFHVURJKSA-N 1 3 286.463 3.472 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC12CCNCC2 ZINC001246643086 804470667 /nfs/dbraw/zinc/47/06/67/804470667.db2.gz QEIZARIIUZCVEZ-SFHVURJKSA-N 1 3 286.463 3.472 20 0 CGADHO Cc1ccc(C[C@H](C)[N@@H+]2CCCC23CCNCC3)cc1 ZINC001246654731 804481096 /nfs/dbraw/zinc/48/10/96/804481096.db2.gz NNDUSUDOUMGLDD-INIZCTEOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(C[C@H](C)[N@H+]2CCCC23CCNCC3)cc1 ZINC001246654731 804481101 /nfs/dbraw/zinc/48/11/01/804481101.db2.gz NNDUSUDOUMGLDD-INIZCTEOSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246747226 804501004 /nfs/dbraw/zinc/50/10/04/804501004.db2.gz KTUVZWMRNDQKLX-FUHWJXTLSA-N 1 3 298.474 3.415 20 0 CGADHO C[C@@H]1CCCCC[N@@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246767935 804501398 /nfs/dbraw/zinc/50/13/98/804501398.db2.gz DJLISHBJDAFMMI-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CCCCC[N@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246767935 804501405 /nfs/dbraw/zinc/50/14/05/804501405.db2.gz DJLISHBJDAFMMI-RBSFLKMASA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[N@H+](Cc1ccccc1)[C@H]1CCN[C@H](C)C1 ZINC001246771287 804505086 /nfs/dbraw/zinc/50/50/86/804505086.db2.gz XWIZBVUERVJOOD-WBVHZDCISA-N 1 3 260.425 3.429 20 0 CGADHO CCCC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](C)C1 ZINC001246771287 804505089 /nfs/dbraw/zinc/50/50/89/804505089.db2.gz XWIZBVUERVJOOD-WBVHZDCISA-N 1 3 260.425 3.429 20 0 CGADHO CCCCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246771287 804505095 /nfs/dbraw/zinc/50/50/95/804505095.db2.gz XWIZBVUERVJOOD-WBVHZDCISA-N 1 3 260.425 3.429 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246777727 804506850 /nfs/dbraw/zinc/50/68/50/804506850.db2.gz TVJIHWRNISZOIY-ZWKOTPCHSA-N 1 3 286.463 3.472 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246777727 804506853 /nfs/dbraw/zinc/50/68/53/804506853.db2.gz TVJIHWRNISZOIY-ZWKOTPCHSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246780413 804507553 /nfs/dbraw/zinc/50/75/53/804507553.db2.gz VNIQRLBQJGXXMA-DJIMGWMZSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246780413 804507557 /nfs/dbraw/zinc/50/75/57/804507557.db2.gz VNIQRLBQJGXXMA-DJIMGWMZSA-N 1 3 258.409 3.007 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246783445 804509478 /nfs/dbraw/zinc/50/94/78/804509478.db2.gz XJPAIHFFQOWWCK-PVAVHDDUSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN[C@H](C)C2)cc1 ZINC001246783445 804509482 /nfs/dbraw/zinc/50/94/82/804509482.db2.gz XJPAIHFFQOWWCK-PVAVHDDUSA-N 1 3 258.409 3.272 20 0 CGADHO CC(C)[N@H+](CC1CC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246787896 804511909 /nfs/dbraw/zinc/51/19/09/804511909.db2.gz FNIRZAKUCQBOEP-HUUCEWRRSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+](CC1CC1)[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246787896 804511912 /nfs/dbraw/zinc/51/19/12/804511912.db2.gz FNIRZAKUCQBOEP-HUUCEWRRSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC([N@@H+]2CC[C@@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246791847 804515207 /nfs/dbraw/zinc/51/52/07/804515207.db2.gz MUFXNWDEBBQAQG-INMHGKMJSA-N 1 3 272.436 3.080 20 0 CGADHO C[C@@H]1CC([N@H+]2CC[C@@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246791847 804515212 /nfs/dbraw/zinc/51/52/12/804515212.db2.gz MUFXNWDEBBQAQG-INMHGKMJSA-N 1 3 272.436 3.080 20 0 CGADHO Cc1ccc(CC[C@@H](C)N2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246793280 804516874 /nfs/dbraw/zinc/51/68/74/804516874.db2.gz UPEFTADFMQPAJV-MRXNPFEDSA-N 1 3 272.436 3.002 20 0 CGADHO CCCCC(CCCC)[N@@H+]1CCCC2(CNC2)C1 ZINC001246794107 804516938 /nfs/dbraw/zinc/51/69/38/804516938.db2.gz YXVXAJVWDIMWHZ-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC(CCCC)[N@H+]1CCCC2(CNC2)C1 ZINC001246794107 804516943 /nfs/dbraw/zinc/51/69/43/804516943.db2.gz YXVXAJVWDIMWHZ-UHFFFAOYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC1CCC([N@@H+]2CC[C@@H](CN)C2)CC1 ZINC001246800437 804522121 /nfs/dbraw/zinc/52/21/21/804522121.db2.gz ZPEZVYALIQLCGP-PCKAHOCUSA-N 1 3 252.446 3.406 20 0 CGADHO CCCCCC1CCC([N@H+]2CC[C@@H](CN)C2)CC1 ZINC001246800437 804522128 /nfs/dbraw/zinc/52/21/28/804522128.db2.gz ZPEZVYALIQLCGP-PCKAHOCUSA-N 1 3 252.446 3.406 20 0 CGADHO C[N@H+](CC1CCCC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246840711 804550916 /nfs/dbraw/zinc/55/09/16/804550916.db2.gz JKFHBBFUZAKUJX-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO C[N@@H+](CC1CCCC1)[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246840711 804550921 /nfs/dbraw/zinc/55/09/21/804550921.db2.gz JKFHBBFUZAKUJX-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246845369 804554006 /nfs/dbraw/zinc/55/40/06/804554006.db2.gz FULWVFSPUHKNGV-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246845369 804554011 /nfs/dbraw/zinc/55/40/11/804554011.db2.gz FULWVFSPUHKNGV-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO COc1cccc([C@@H]2CCCN2[C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC001246848208 804557660 /nfs/dbraw/zinc/55/76/60/804557660.db2.gz MVFQDOOATYBKCC-KPEUIFRASA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)c1 ZINC001246848208 804557667 /nfs/dbraw/zinc/55/76/67/804557667.db2.gz MVFQDOOATYBKCC-KPEUIFRASA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H]2CCC[N@H+]2[C@@H]2C[C@@H](C)N[C@@H](C)C2)c1 ZINC001246848208 804557668 /nfs/dbraw/zinc/55/76/68/804557668.db2.gz MVFQDOOATYBKCC-KPEUIFRASA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@H]1C[C@H]([N@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862660 804567363 /nfs/dbraw/zinc/56/73/63/804567363.db2.gz MKVDKMWDVQIEDC-DLBZAZTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+](C)CCCc2cccc(OC)c2)CCN1 ZINC001246862660 804567371 /nfs/dbraw/zinc/56/73/71/804567371.db2.gz MKVDKMWDVQIEDC-DLBZAZTESA-N 1 3 290.451 3.090 20 0 CGADHO CC[C@H]1C[C@H](N(C)CCCc2cccc(OC)c2)CC[NH2+]1 ZINC001246862660 804567378 /nfs/dbraw/zinc/56/73/78/804567378.db2.gz MKVDKMWDVQIEDC-DLBZAZTESA-N 1 3 290.451 3.090 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)[N@H+](C)C1(C)CCNCC1 ZINC001246912458 804594728 /nfs/dbraw/zinc/59/47/28/804594728.db2.gz SMHFWPVVGMTDTR-ZDUSSCGKSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)C1(C)CCNCC1 ZINC001246912458 804594731 /nfs/dbraw/zinc/59/47/31/804594731.db2.gz SMHFWPVVGMTDTR-ZDUSSCGKSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N(C)C1(C)CC[NH2+]CC1 ZINC001246912458 804594735 /nfs/dbraw/zinc/59/47/35/804594735.db2.gz SMHFWPVVGMTDTR-ZDUSSCGKSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@H](Cc1ccco1)[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001246912753 804597647 /nfs/dbraw/zinc/59/76/47/804597647.db2.gz FUENGJGGOPLYNJ-MRXNPFEDSA-N 1 3 298.430 3.465 20 0 CGADHO C[C@H](Cc1ccco1)[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001246912753 804597654 /nfs/dbraw/zinc/59/76/54/804597654.db2.gz FUENGJGGOPLYNJ-MRXNPFEDSA-N 1 3 298.430 3.465 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC001246915928 804598626 /nfs/dbraw/zinc/59/86/26/804598626.db2.gz ZHPHRXAHDRRLDD-HOCLYGCPSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC001246915928 804598631 /nfs/dbraw/zinc/59/86/31/804598631.db2.gz ZHPHRXAHDRRLDD-HOCLYGCPSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CC[C@@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246937881 804609026 /nfs/dbraw/zinc/60/90/26/804609026.db2.gz NIILJJDFPUMWQQ-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CC[C@@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)C1 ZINC001246937881 804609030 /nfs/dbraw/zinc/60/90/30/804609030.db2.gz NIILJJDFPUMWQQ-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO CCC(CC)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938957 804611123 /nfs/dbraw/zinc/61/11/23/804611123.db2.gz QMGQVRSPXOFBGX-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO CCC(CC)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938957 804611124 /nfs/dbraw/zinc/61/11/24/804611124.db2.gz QMGQVRSPXOFBGX-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CN([C@@H]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246953958 804618342 /nfs/dbraw/zinc/61/83/42/804618342.db2.gz WEYTVOSUAPRLTD-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]1CC(N2CCc3ccccc3[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246984326 804628931 /nfs/dbraw/zinc/62/89/31/804628931.db2.gz LDQNZIMOALCSEC-IHRRRGAJSA-N 1 3 258.409 3.135 20 0 CGADHO CC(C)[C@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002876 804635879 /nfs/dbraw/zinc/63/58/79/804635879.db2.gz LZAKHDNJKNIEOI-KLHDSHLOSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002876 804635884 /nfs/dbraw/zinc/63/58/84/804635884.db2.gz LZAKHDNJKNIEOI-KLHDSHLOSA-N 1 3 252.446 3.274 20 0 CGADHO Cc1ccc2c(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)cccc2n1 ZINC001248572960 804956065 /nfs/dbraw/zinc/95/60/65/804956065.db2.gz CFMYHCTVAISPSP-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO Cc1ccc2c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cccc2n1 ZINC001248572960 804956069 /nfs/dbraw/zinc/95/60/69/804956069.db2.gz CFMYHCTVAISPSP-LJQANCHMSA-N 1 3 295.430 3.071 20 0 CGADHO CC(C)[NH+]1CCC(NC2(Cc3ccccc3F)CC2)CC1 ZINC001257211241 807063043 /nfs/dbraw/zinc/06/30/43/807063043.db2.gz CMPSEYMWHYNPFT-UHFFFAOYSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1c2[nH]cnc2ccc1NCC1CC[NH+](C(C)C)CC1 ZINC001166616279 807069815 /nfs/dbraw/zinc/06/98/15/807069815.db2.gz YUJWVIJWIYKMCS-UHFFFAOYSA-N 1 3 286.423 3.404 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001258013057 807266200 /nfs/dbraw/zinc/26/62/00/807266200.db2.gz LVGBTNFPNOSZKP-UHFFFAOYSA-N 1 3 288.426 3.474 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001258013057 807266205 /nfs/dbraw/zinc/26/62/05/807266205.db2.gz LVGBTNFPNOSZKP-UHFFFAOYSA-N 1 3 288.426 3.474 20 0 CGADHO CC[NH+]1C[C@@H]2CN([C@@H](C)Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001168191501 807343622 /nfs/dbraw/zinc/34/36/22/807343622.db2.gz FUKZHTWHXDKSPT-NUEKZKHPSA-N 1 3 292.854 3.155 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H](C)CCSC)CC1 ZINC001258207529 807364047 /nfs/dbraw/zinc/36/40/47/807364047.db2.gz ZGOFWRPCXZCIOD-CYBMUJFWSA-N 1 3 272.502 3.371 20 0 CGADHO C[C@H](CC1CC1)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258453672 807459116 /nfs/dbraw/zinc/45/91/16/807459116.db2.gz DYJCBCFQWNYVAU-CQSZACIVSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001169096916 807573542 /nfs/dbraw/zinc/57/35/42/807573542.db2.gz ZTSUHLNOGVULDS-BJWYYQGGSA-N 1 3 258.409 3.018 20 0 CGADHO CC[NH+]1CCC(N[C@@H](c2cccc(OC)c2)C2CC2)CC1 ZINC001169241186 807613079 /nfs/dbraw/zinc/61/30/79/807613079.db2.gz JCMMQMOJESVCQL-GOSISDBHSA-N 1 3 288.435 3.220 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001170110328 807760799 /nfs/dbraw/zinc/76/07/99/807760799.db2.gz XELJRNQTIQTFPK-QWHCGFSZSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001170118249 807765626 /nfs/dbraw/zinc/76/56/26/807765626.db2.gz QTFYHPCQSUBFBV-QAPCUYQASA-N 1 3 287.451 3.072 20 0 CGADHO CO[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171628900 808107910 /nfs/dbraw/zinc/10/79/10/808107910.db2.gz LXFWZABDIYAHMT-OTVXOJSOSA-N 1 3 282.472 3.185 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc3ncccc3c1)C2 ZINC001172101990 808173055 /nfs/dbraw/zinc/17/30/55/808173055.db2.gz ITVLPCQISSKJAE-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc3ncccc3c1)C2 ZINC001172101990 808173060 /nfs/dbraw/zinc/17/30/60/808173060.db2.gz ITVLPCQISSKJAE-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC001172103468 808174757 /nfs/dbraw/zinc/17/47/57/808174757.db2.gz USKPAPNLOAZLRL-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172103468 808174759 /nfs/dbraw/zinc/17/47/59/808174759.db2.gz USKPAPNLOAZLRL-NNZMDNLPSA-N 1 3 272.436 3.408 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nccc3ccccc31)C2 ZINC001172104360 808174989 /nfs/dbraw/zinc/17/49/89/808174989.db2.gz FCFIGSVTFVPERH-BJWYYQGGSA-N 1 3 295.430 3.340 20 0 CGADHO CC(C)[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172107196 808176864 /nfs/dbraw/zinc/17/68/64/808176864.db2.gz UNQZLSOLYDWLNU-XMTFNYHQSA-N 1 3 287.451 3.384 20 0 CGADHO CC(C)[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172107196 808176868 /nfs/dbraw/zinc/17/68/68/808176868.db2.gz UNQZLSOLYDWLNU-XMTFNYHQSA-N 1 3 287.451 3.384 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3sccc31)C2 ZINC001172110038 808178522 /nfs/dbraw/zinc/17/85/22/808178522.db2.gz ITTSOTVQVVBEAT-XPCVCDNBSA-N 1 3 276.449 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3sccc31)C2 ZINC001172110038 808178524 /nfs/dbraw/zinc/17/85/24/808178524.db2.gz ITTSOTVQVVBEAT-XPCVCDNBSA-N 1 3 276.449 3.340 20 0 CGADHO CC[C@@H](C)OCC[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001172321643 808230804 /nfs/dbraw/zinc/23/08/04/808230804.db2.gz MWRHCGCGLIIFOD-IAGOWNOFSA-N 1 3 284.488 3.292 20 0 CGADHO CN1CC2(C1)CC[NH+]([C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172569311 808395300 /nfs/dbraw/zinc/39/53/00/808395300.db2.gz RWNUSSFDNZGTEN-QZTJIDSGSA-N 1 3 284.447 3.350 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@H+](CCCN)C(C)C)cc1 ZINC001173239280 808547578 /nfs/dbraw/zinc/54/75/78/808547578.db2.gz PTKHVWSWOZNHAR-OAHLLOKOSA-N 1 3 262.441 3.239 20 0 CGADHO CCc1ccc(C[C@@H](C)[N@@H+](CCCN)C(C)C)cc1 ZINC001173239280 808547583 /nfs/dbraw/zinc/54/75/83/808547583.db2.gz PTKHVWSWOZNHAR-OAHLLOKOSA-N 1 3 262.441 3.239 20 0 CGADHO CC(C)CN1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275056399 808901496 /nfs/dbraw/zinc/90/14/96/808901496.db2.gz RYPDUGMIAKBOIU-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO CC(C)CN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275056399 808901500 /nfs/dbraw/zinc/90/15/00/808901500.db2.gz RYPDUGMIAKBOIU-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO CCN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275084739 808905102 /nfs/dbraw/zinc/90/51/02/808905102.db2.gz DBOCPGWBPLQKRP-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO CCN1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275084739 808905108 /nfs/dbraw/zinc/90/51/08/808905108.db2.gz DBOCPGWBPLQKRP-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO CN1CCC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC001275866786 808972215 /nfs/dbraw/zinc/97/22/15/808972215.db2.gz UAXJRTSGUHBFNW-OAHLLOKOSA-N 1 3 264.438 3.056 20 0 CGADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC001275866786 808972218 /nfs/dbraw/zinc/97/22/18/808972218.db2.gz UAXJRTSGUHBFNW-OAHLLOKOSA-N 1 3 264.438 3.056 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(OC)cc3C)(C1)CCC2 ZINC001276092425 808987533 /nfs/dbraw/zinc/98/75/33/808987533.db2.gz NYYKTQSRAUKSPH-ZWKOTPCHSA-N 1 3 288.435 3.158 20 0 CGADHO C[C@H](CC[NH2+]CC1CCCCC1)N1CCCCC1 ZINC001178462347 809868676 /nfs/dbraw/zinc/86/86/76/809868676.db2.gz BYGPXGKOWJDIJF-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc3scnc3c2)C1 ZINC001179158767 809907744 /nfs/dbraw/zinc/90/77/44/809907744.db2.gz BJUDSBRXGVIOES-AWEZNQCLSA-N 1 3 289.448 3.118 20 0 CGADHO Cc1ccc(CC[NH2+]C[C@@H]2CCCCN(C)C2)cc1C ZINC001182909934 810130649 /nfs/dbraw/zinc/13/06/49/810130649.db2.gz LPVPRYRJJNNICX-SFHVURJKSA-N 1 3 274.452 3.167 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)[C@H]2C1 ZINC001184389584 810197673 /nfs/dbraw/zinc/19/76/73/810197673.db2.gz YLEPPIMBDSOGNZ-CXQPBAHBSA-N 1 3 298.474 3.328 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CCC1CCCC1 ZINC001197929961 811464459 /nfs/dbraw/zinc/46/44/59/811464459.db2.gz MXJQRNJZONADFC-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CCC1CCCC1 ZINC001197929961 811464465 /nfs/dbraw/zinc/46/44/65/811464465.db2.gz MXJQRNJZONADFC-OAHLLOKOSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CCC1CCCC1 ZINC001197929960 811465038 /nfs/dbraw/zinc/46/50/38/811465038.db2.gz MXJQRNJZONADFC-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CCC1CCCC1 ZINC001197929960 811465041 /nfs/dbraw/zinc/46/50/41/811465041.db2.gz MXJQRNJZONADFC-HNNXBMFYSA-N 1 3 273.424 3.172 20 0 CGADHO Cc1ccc(CCN2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1 ZINC001197930656 811465324 /nfs/dbraw/zinc/46/53/24/811465324.db2.gz RRLWATSNCVYVSE-QGZVFWFLSA-N 1 3 295.430 3.143 20 0 CGADHO CC(C)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478492 811855624 /nfs/dbraw/zinc/85/56/24/811855624.db2.gz MYIPPBJMSUUDDX-MSOLQXFVSA-N 1 3 272.436 3.096 20 0 CGADHO CC(C)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478492 811855632 /nfs/dbraw/zinc/85/56/32/811855632.db2.gz MYIPPBJMSUUDDX-MSOLQXFVSA-N 1 3 272.436 3.096 20 0 CGADHO CC(C)CC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201623679 811922503 /nfs/dbraw/zinc/92/25/03/811922503.db2.gz CRYPFXSQDXWWMD-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201623679 811922504 /nfs/dbraw/zinc/92/25/04/811922504.db2.gz CRYPFXSQDXWWMD-MRXNPFEDSA-N 1 3 252.446 3.373 20 0 CGADHO CCCCCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001201753934 811959612 /nfs/dbraw/zinc/95/96/12/811959612.db2.gz GBUARLCVEYZPJD-KRWDZBQOSA-N 1 3 282.472 3.142 20 0 CGADHO CCN(CC)CC[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC001204072130 812540019 /nfs/dbraw/zinc/54/00/19/812540019.db2.gz OHJAFBVHMBALFW-GOSISDBHSA-N 1 3 290.451 3.228 20 0 CGADHO CC(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001204089874 812547583 /nfs/dbraw/zinc/54/75/83/812547583.db2.gz SEGCLEKQLDIHKC-CGTJXYLNSA-N 1 3 272.436 3.240 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001204166322 812560452 /nfs/dbraw/zinc/56/04/52/812560452.db2.gz ONGVVOSOQNUGJB-UHFFFAOYSA-N 1 3 298.352 3.233 20 0 CGADHO c1ccc(CCCC2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001204885379 812763277 /nfs/dbraw/zinc/76/32/77/812763277.db2.gz RUVYEPBITRAKRH-LJQANCHMSA-N 1 3 286.463 3.331 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@@](C)(N)C1 ZINC001204937356 812784686 /nfs/dbraw/zinc/78/46/86/812784686.db2.gz COFKETNTYDAGGP-DOTOQJQBSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@](C)(N)C1 ZINC001204937356 812784689 /nfs/dbraw/zinc/78/46/89/812784689.db2.gz COFKETNTYDAGGP-DOTOQJQBSA-N 1 3 284.488 3.421 20 0 CGADHO CC/C=C\CCCCCN1CCC[C@H](C[NH2+]C)C1 ZINC001205001689 812819219 /nfs/dbraw/zinc/81/92/19/812819219.db2.gz WHBNNZNDXSYIQQ-YIEVGGLXSA-N 1 3 252.446 3.444 20 0 CGADHO CCCc1ccc(CN2CCC[C@@H]([NH3+])CC2)s1 ZINC001205101667 812864261 /nfs/dbraw/zinc/86/42/61/812864261.db2.gz IRRDKEJZZMZEAI-GFCCVEGCSA-N 1 3 252.427 3.014 20 0 CGADHO Cc1cc(CN2CCC[C@@H]([NH3+])CC2)cc(C)c1OC(C)C ZINC001205124755 812877828 /nfs/dbraw/zinc/87/78/28/812877828.db2.gz ZRSAAPNLDMZPQY-QGZVFWFLSA-N 1 3 290.451 3.404 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCC[C@](C)([NH3+])CC1 ZINC001205265654 812922346 /nfs/dbraw/zinc/92/23/46/812922346.db2.gz QMSGYFQUWJXVMG-KRWDZBQOSA-N 1 3 271.408 3.180 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001205289142 812933538 /nfs/dbraw/zinc/93/35/38/812933538.db2.gz TUILHDGMWXJBPK-QGZVFWFLSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@H]1CCN(Cc2ccc(F)c3ccccc23)C[C@H]1C[NH3+] ZINC001205303164 812940803 /nfs/dbraw/zinc/94/08/03/812940803.db2.gz ACLYJUKKBYJGSE-DZGCQCFKSA-N 1 3 286.394 3.396 20 0 CGADHO C[C@@H]1CCN(Cc2cccc3sccc32)C[C@@H]1C[NH3+] ZINC001205318547 812950233 /nfs/dbraw/zinc/95/02/33/812950233.db2.gz VWLNGTJRPVJFQO-OCCSQVGLSA-N 1 3 274.433 3.318 20 0 CGADHO CO[C@@H](CNCC[C@@H](C)[NH+]1CCCCC1)C1CCCCC1 ZINC001205390543 812976366 /nfs/dbraw/zinc/97/63/66/812976366.db2.gz AASLZKYLMSPJCA-AEFFLSMTSA-N 1 3 296.499 3.436 20 0 CGADHO CO[C@@H](C[NH2+]CC[C@@H](C)N1CCCCC1)C1CCCCC1 ZINC001205390543 812976372 /nfs/dbraw/zinc/97/63/72/812976372.db2.gz AASLZKYLMSPJCA-AEFFLSMTSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205616592 813027279 /nfs/dbraw/zinc/02/72/79/813027279.db2.gz GJCDLWAKGRDBBW-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO Cc1c(F)ccc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205628884 813034849 /nfs/dbraw/zinc/03/48/49/813034849.db2.gz XLUBLKSWCYZFHO-YPMHNXCESA-N 1 3 282.378 3.080 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901959 813124348 /nfs/dbraw/zinc/12/43/48/813124348.db2.gz GLGWDZWGJJGREJ-GDBMZVCRSA-N 1 3 298.430 3.408 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901962 813125072 /nfs/dbraw/zinc/12/50/72/813125072.db2.gz GLGWDZWGJJGREJ-ZBFHGGJFSA-N 1 3 298.430 3.408 20 0 CGADHO CCCc1ccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)s1 ZINC001205903765 813126346 /nfs/dbraw/zinc/12/63/46/813126346.db2.gz QZIMNULYHNDRFT-OLZOCXBDSA-N 1 3 266.454 3.260 20 0 CGADHO CCn1ccc2ccc(CN3CCC[C@@H](C[NH3+])[C@H]3C)cc21 ZINC001205905229 813128195 /nfs/dbraw/zinc/12/81/95/813128195.db2.gz ZKRFZJFXENCRLB-PBHICJAKSA-N 1 3 285.435 3.220 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1c[nH]c2cc(Cl)ccc12 ZINC001205912626 813129409 /nfs/dbraw/zinc/12/94/09/813129409.db2.gz BFWJSHUINMAGIZ-NWDGAFQWSA-N 1 3 291.826 3.381 20 0 CGADHO [NH3+][C@H]1CCN(Cc2ccccc2-c2cccnc2)CC[C@H]1F ZINC001206174585 813225709 /nfs/dbraw/zinc/22/57/09/813225709.db2.gz OHTVTRVLTFVUDX-MSOLQXFVSA-N 1 3 299.393 3.010 20 0 CGADHO COc1cc(Cl)ccc1CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318699 813287610 /nfs/dbraw/zinc/28/76/10/813287610.db2.gz STUHXSOURFUCGV-MRXNPFEDSA-N 1 3 296.842 3.300 20 0 CGADHO CCOc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206541966 813343573 /nfs/dbraw/zinc/34/35/73/813343573.db2.gz OJSUOWWBMAQJSK-QGZVFWFLSA-N 1 3 276.424 3.036 20 0 CGADHO COc1cc(C)c(CN2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206541006 813343892 /nfs/dbraw/zinc/34/38/92/813343892.db2.gz FEBYBAMIQIQSAV-SFHVURJKSA-N 1 3 290.451 3.263 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2c[nH]c3c2cccc3F)C1 ZINC001206550118 813349007 /nfs/dbraw/zinc/34/90/07/813349007.db2.gz VKNZOKPZULQKJR-QGZVFWFLSA-N 1 3 289.398 3.258 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606308 813372204 /nfs/dbraw/zinc/37/22/04/813372204.db2.gz KCWGODMASAERIF-HRCADAONSA-N 1 3 250.430 3.040 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC001206606308 813372211 /nfs/dbraw/zinc/37/22/11/813372211.db2.gz KCWGODMASAERIF-HRCADAONSA-N 1 3 250.430 3.040 20 0 CGADHO Cc1ccc([C@@H](C)CCN2CCCC[C@H](C[NH3+])C2)o1 ZINC001206606141 813372557 /nfs/dbraw/zinc/37/25/57/813372557.db2.gz FMIPFBHNMNHTDJ-DZGCQCFKSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@H](CN)C2)o1 ZINC001206606141 813372566 /nfs/dbraw/zinc/37/25/66/813372566.db2.gz FMIPFBHNMNHTDJ-DZGCQCFKSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@H](CN)C2)o1 ZINC001206606141 813372572 /nfs/dbraw/zinc/37/25/72/813372572.db2.gz FMIPFBHNMNHTDJ-DZGCQCFKSA-N 1 3 264.413 3.142 20 0 CGADHO CCCc1ccc(CN2CCCC[C@H](C[NH3+])C2)s1 ZINC001206616040 813376350 /nfs/dbraw/zinc/37/63/50/813376350.db2.gz LSVCCJDKQCJTJI-CYBMUJFWSA-N 1 3 266.454 3.261 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206761059 813425884 /nfs/dbraw/zinc/42/58/84/813425884.db2.gz SIISTWDTUGEBMC-HRCADAONSA-N 1 3 252.446 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206761059 813425892 /nfs/dbraw/zinc/42/58/92/813425892.db2.gz SIISTWDTUGEBMC-HRCADAONSA-N 1 3 252.446 3.428 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](Cc1ccccc1)C1CC1 ZINC001207282633 813533650 /nfs/dbraw/zinc/53/36/50/813533650.db2.gz MNMLLKYZQABGPV-UHFFFAOYSA-N 1 3 260.425 3.239 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](Cc1ccccc1)C1CC1 ZINC001207282633 813533655 /nfs/dbraw/zinc/53/36/55/813533655.db2.gz MNMLLKYZQABGPV-UHFFFAOYSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[N@H+]1C[C@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2C1 ZINC001207350081 813547473 /nfs/dbraw/zinc/54/74/73/813547473.db2.gz ZHUQCSPYYAOZKG-GASCZTMLSA-N 1 3 286.410 3.086 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN(CC3CCC(F)(F)CC3)C[C@H]2C1 ZINC001207350081 813547476 /nfs/dbraw/zinc/54/74/76/813547476.db2.gz ZHUQCSPYYAOZKG-GASCZTMLSA-N 1 3 286.410 3.086 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001207622557 813619181 /nfs/dbraw/zinc/61/91/81/813619181.db2.gz NCOZFTFMXCHTIM-MXSMSXNCSA-N 1 3 289.467 3.489 20 0 CGADHO CC/C=C\CCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001208137907 813704431 /nfs/dbraw/zinc/70/44/31/813704431.db2.gz MGYHHSBCZBFVDT-PLNGDYQASA-N 1 3 273.424 3.258 20 0 CGADHO C[C@@]1(F)CCCN(CCC[NH+]2CCCCC2)CC1 ZINC001209448023 814046337 /nfs/dbraw/zinc/04/63/37/814046337.db2.gz LBQUJLLUTACBBF-OAHLLOKOSA-N 1 3 256.409 3.077 20 0 CGADHO CC[N@H+](CCCN1CCCCC1)Cc1cccc(OC)c1 ZINC001209450791 814048530 /nfs/dbraw/zinc/04/85/30/814048530.db2.gz LUHZQFLWFGJTDK-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO CC[N@@H+](CCCN1CCCCC1)Cc1cccc(OC)c1 ZINC001209450791 814048532 /nfs/dbraw/zinc/04/85/32/814048532.db2.gz LUHZQFLWFGJTDK-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO C[NH2+][C@H]1C[C@@H](Oc2ccc3ccccc3c2CN(C)C)C1 ZINC001217956149 816017203 /nfs/dbraw/zinc/01/72/03/816017203.db2.gz QVBNSABBAMYGKK-GASCZTMLSA-N 1 3 284.403 3.031 20 0 CGADHO Cc1ccc(Cl)c(CN2CCC3(CC([NH3+])C3)CC2)c1 ZINC001222216113 816376663 /nfs/dbraw/zinc/37/66/63/816376663.db2.gz WJOAWHDESQRIHH-UHFFFAOYSA-N 1 3 278.827 3.352 20 0 CGADHO COc1ccc(C)cc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222315304 816406313 /nfs/dbraw/zinc/40/63/13/816406313.db2.gz MTJZJHSUEJAQAC-SFHVURJKSA-N 1 3 288.435 3.112 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001222422376 816440301 /nfs/dbraw/zinc/44/03/01/816440301.db2.gz UOJGEEVUVZJWOC-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001222422376 816440305 /nfs/dbraw/zinc/44/03/05/816440305.db2.gz UOJGEEVUVZJWOC-HOTGVXAUSA-N 1 3 252.446 3.421 20 0 CGADHO Cc1ccc(CN2CCC(F)(C[NH3+])CC2)c(C)c1Cl ZINC001222552966 816466599 /nfs/dbraw/zinc/46/65/99/816466599.db2.gz MISBOMOUUHTJQU-UHFFFAOYSA-N 1 3 284.806 3.220 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620231 816479775 /nfs/dbraw/zinc/47/97/75/816479775.db2.gz HXLGXNMSJNTWHW-QFBILLFUSA-N 1 3 280.415 3.332 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001222620231 816479781 /nfs/dbraw/zinc/47/97/81/816479781.db2.gz HXLGXNMSJNTWHW-QFBILLFUSA-N 1 3 280.415 3.332 20 0 CGADHO c1ccc2c(c1)oc1c2cccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978625 818967710 /nfs/dbraw/zinc/96/77/10/818967710.db2.gz IIJHLRWMRUGLRZ-GASCZTMLSA-N 1 3 292.382 3.237 20 0 CGADHO C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC001234978981 818970242 /nfs/dbraw/zinc/97/02/42/818970242.db2.gz MQCSRBRHUAZFQA-BHYGNILZSA-N 1 3 280.415 3.095 20 0 CGADHO Cc1ccc(CN2CCC[C@]3(CCC[NH2+]3)CC2)cc1C ZINC001235042571 818988190 /nfs/dbraw/zinc/98/81/90/818988190.db2.gz XQZSDYBAPFYKFX-GOSISDBHSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1cccc(CCN2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042647 818989179 /nfs/dbraw/zinc/98/91/79/818989179.db2.gz ZIZOVGGKYBMKSD-GOSISDBHSA-N 1 3 272.436 3.146 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC12CCNCC2 ZINC001235103008 819002570 /nfs/dbraw/zinc/00/25/70/819002570.db2.gz PWACOOMFLBCTTN-OAHLLOKOSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1CCC12CCNCC2 ZINC001235103008 819002575 /nfs/dbraw/zinc/00/25/75/819002575.db2.gz PWACOOMFLBCTTN-OAHLLOKOSA-N 1 3 250.430 3.197 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCCCC13CCNCC3)CCCN2 ZINC001235190637 819030322 /nfs/dbraw/zinc/03/03/22/819030322.db2.gz YIWOWFXIJPZOHG-UHFFFAOYSA-N 1 3 299.462 3.153 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCCCC13CCNCC3)CCCN2 ZINC001235190637 819030327 /nfs/dbraw/zinc/03/03/27/819030327.db2.gz YIWOWFXIJPZOHG-UHFFFAOYSA-N 1 3 299.462 3.153 20 0 CGADHO c1cc2c(cc1CN1CCCCC13CC[NH2+]CC3)CCCN2 ZINC001235190637 819030332 /nfs/dbraw/zinc/03/03/32/819030332.db2.gz YIWOWFXIJPZOHG-UHFFFAOYSA-N 1 3 299.462 3.153 20 0 CGADHO c1ccc(C2(C[N@@H+]3CCCCC34CCNCC4)CC2)cc1 ZINC001235189870 819030375 /nfs/dbraw/zinc/03/03/75/819030375.db2.gz GCGLSDRNQNVMAQ-UHFFFAOYSA-N 1 3 284.447 3.326 20 0 CGADHO c1ccc(C2(C[N@H+]3CCCCC34CCNCC4)CC2)cc1 ZINC001235189870 819030378 /nfs/dbraw/zinc/03/03/78/819030378.db2.gz GCGLSDRNQNVMAQ-UHFFFAOYSA-N 1 3 284.447 3.326 20 0 CGADHO Cc1cc(C[N@@H+]2CCCCC23CCNCC3)sc1C ZINC001235191608 819032298 /nfs/dbraw/zinc/03/22/98/819032298.db2.gz SOLRIYMOTBGHQD-UHFFFAOYSA-N 1 3 278.465 3.473 20 0 CGADHO Cc1cc(C[N@H+]2CCCCC23CCNCC3)sc1C ZINC001235191608 819032304 /nfs/dbraw/zinc/03/23/04/819032304.db2.gz SOLRIYMOTBGHQD-UHFFFAOYSA-N 1 3 278.465 3.473 20 0 CGADHO Cc1cc(CN2CCCCC23CC[NH2+]CC3)sc1C ZINC001235191608 819032312 /nfs/dbraw/zinc/03/23/12/819032312.db2.gz SOLRIYMOTBGHQD-UHFFFAOYSA-N 1 3 278.465 3.473 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235253206 819049165 /nfs/dbraw/zinc/04/91/65/819049165.db2.gz CLFCROJYXAJSJG-HDEZJCGLSA-N 1 3 290.838 3.127 20 0 CGADHO Cc1ccc2ccccc2c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235273341 819059056 /nfs/dbraw/zinc/05/90/56/819059056.db2.gz RHVXDVXXHMQNTJ-LPHOPBHVSA-N 1 3 280.415 3.332 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001235892242 819201536 /nfs/dbraw/zinc/20/15/36/819201536.db2.gz NIZRETJIWWZOIO-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1CC[C@@H](N)C[N@H+]1CCCc1ccc(Cl)cc1 ZINC001235892242 819201542 /nfs/dbraw/zinc/20/15/42/819201542.db2.gz NIZRETJIWWZOIO-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO CC1=CC[C@H](CC[N@@H+](C)C[C@H]2CCCNC2)C1(C)C ZINC001235951399 819241997 /nfs/dbraw/zinc/24/19/97/819241997.db2.gz RUVCJRJKIKLVRM-JKSUJKDBSA-N 1 3 264.457 3.300 20 0 CGADHO CC1=CC[C@H](CC[N@H+](C)C[C@H]2CCCNC2)C1(C)C ZINC001235951399 819242003 /nfs/dbraw/zinc/24/20/03/819242003.db2.gz RUVCJRJKIKLVRM-JKSUJKDBSA-N 1 3 264.457 3.300 20 0 CGADHO F[C@@H]1CCC2(C1)CC[NH+](Cc1ccc3c(c1)CNC3)CC2 ZINC001235985420 819260226 /nfs/dbraw/zinc/26/02/26/819260226.db2.gz KNXVMKQNSIXVDA-QGZVFWFLSA-N 1 3 288.410 3.394 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1Cc1ccc2c(c1)C[NH2+]C2 ZINC001236072904 819301687 /nfs/dbraw/zinc/30/16/87/819301687.db2.gz YOXDTTHWFRAJQC-CQSZACIVSA-N 1 3 278.399 3.237 20 0 CGADHO CC(C)=CCCC1=CC[C@@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC001236169831 819354084 /nfs/dbraw/zinc/35/40/84/819354084.db2.gz PMCAMFKBFPFIQJ-IAGOWNOFSA-N 1 3 262.441 3.492 20 0 CGADHO Cc1ccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c2c1 ZINC001236213851 819375572 /nfs/dbraw/zinc/37/55/72/819375572.db2.gz PCFANOCGSOWACN-NVXWUHKLSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1ccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c2c1 ZINC001236213851 819375580 /nfs/dbraw/zinc/37/55/80/819375580.db2.gz PCFANOCGSOWACN-NVXWUHKLSA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@@H]1N ZINC001236218498 819383785 /nfs/dbraw/zinc/38/37/85/819383785.db2.gz SINUQJPPLJSUJY-DLBZAZTESA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@@H]1N ZINC001236218498 819383791 /nfs/dbraw/zinc/38/37/91/819383791.db2.gz SINUQJPPLJSUJY-DLBZAZTESA-N 1 3 258.409 3.266 20 0 CGADHO CCn1ccc2ccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3N)cc21 ZINC001236218669 819383838 /nfs/dbraw/zinc/38/38/38/819383838.db2.gz SUEQLBIPWGEQLP-DLBZAZTESA-N 1 3 285.435 3.363 20 0 CGADHO CCn1ccc2ccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3N)cc21 ZINC001236218669 819383845 /nfs/dbraw/zinc/38/38/45/819383845.db2.gz SUEQLBIPWGEQLP-DLBZAZTESA-N 1 3 285.435 3.363 20 0 CGADHO CCN(CCC1CC[NH2+]CC1)Cc1cccc(F)c1F ZINC001236241473 819401093 /nfs/dbraw/zinc/40/10/93/819401093.db2.gz RQXMFNQUDFHVNA-UHFFFAOYSA-N 1 3 282.378 3.176 20 0 CGADHO CCC(=O)C(C)(C)C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236371270 819439972 /nfs/dbraw/zinc/43/99/72/819439972.db2.gz JNAOWZCYAPBZPH-HNNXBMFYSA-N 1 3 294.483 3.236 20 0 CGADHO CCC(=O)C(C)(C)C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236371270 819439975 /nfs/dbraw/zinc/43/99/75/819439975.db2.gz JNAOWZCYAPBZPH-HNNXBMFYSA-N 1 3 294.483 3.236 20 0 CGADHO CS[C@H](C)CC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372605 819441399 /nfs/dbraw/zinc/44/13/99/819441399.db2.gz QWZGXVUYZYDYSY-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO CS[C@H](C)CC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236372605 819441405 /nfs/dbraw/zinc/44/14/05/819441405.db2.gz QWZGXVUYZYDYSY-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO Cc1cc(F)cc(CN(CCC2CC2)C2CC[NH2+]CC2)c1 ZINC001236481053 819496695 /nfs/dbraw/zinc/49/66/95/819496695.db2.gz NLDUPPFMBWZDDU-UHFFFAOYSA-N 1 3 290.426 3.488 20 0 CGADHO Cc1ccc(F)cc1CN(C[C@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236510087 819508621 /nfs/dbraw/zinc/50/86/21/819508621.db2.gz YDQXVFSYFKMUTR-LSDHHAIUSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](C[C@H]1C[C@@H]1C)C1CCNCC1 ZINC001236510087 819508626 /nfs/dbraw/zinc/50/86/26/819508626.db2.gz YDQXVFSYFKMUTR-LSDHHAIUSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](C[C@H]1C[C@@H]1C)C1CCNCC1 ZINC001236510087 819508629 /nfs/dbraw/zinc/50/86/29/819508629.db2.gz YDQXVFSYFKMUTR-LSDHHAIUSA-N 1 3 290.426 3.344 20 0 CGADHO C[C@@]1(CN)CC[N@H+](CCCCCc2ccccc2)C1 ZINC001236603688 819551042 /nfs/dbraw/zinc/55/10/42/819551042.db2.gz CJTUKHALCHMHPJ-KRWDZBQOSA-N 1 3 260.425 3.070 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001236603688 819551046 /nfs/dbraw/zinc/55/10/46/819551046.db2.gz CJTUKHALCHMHPJ-KRWDZBQOSA-N 1 3 260.425 3.070 20 0 CGADHO c1cc2c(c(C[N@H+](C3CCC3)C3CCNCC3)c1)CCC2 ZINC001236647121 819559612 /nfs/dbraw/zinc/55/96/12/819559612.db2.gz KGLGJKWSIUJNQG-UHFFFAOYSA-N 1 3 284.447 3.282 20 0 CGADHO c1cc2c(c(C[N@@H+](C3CCC3)C3CCNCC3)c1)CCC2 ZINC001236647121 819559617 /nfs/dbraw/zinc/55/96/17/819559617.db2.gz KGLGJKWSIUJNQG-UHFFFAOYSA-N 1 3 284.447 3.282 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(F)c4ccccc34)C[C@@H]12 ZINC001236819809 819605580 /nfs/dbraw/zinc/60/55/80/819605580.db2.gz OLHWCTUEQIDSRR-FDQGKXFDSA-N 1 3 284.378 3.148 20 0 CGADHO COc1ccc(CN2CCC[C@@](C)(C[NH3+])C2)c2ccccc12 ZINC001237058727 819657306 /nfs/dbraw/zinc/65/73/06/819657306.db2.gz RPXCQSKPVUZLEX-IBGZPJMESA-N 1 3 298.430 3.409 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN(C)C1CC[NH+](C)CC1 ZINC001237352084 819733908 /nfs/dbraw/zinc/73/39/08/819733908.db2.gz DTDZIWVQDKBCQG-UHFFFAOYSA-N 1 3 280.843 3.483 20 0 CGADHO CSc1cc(C)cc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001238682885 820082675 /nfs/dbraw/zinc/08/26/75/820082675.db2.gz PVTADDPERAGXHF-UHFFFAOYSA-N 1 3 290.476 3.245 20 0 CGADHO COc1ccc(Cl)cc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC001348840560 936936256 /nfs/dbraw/zinc/93/62/56/936936256.db2.gz NJXCZUMQFIYGSU-CABCVRRESA-N 1 3 296.842 3.141 20 0 CGADHO CCCCN(C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614497 937494274 /nfs/dbraw/zinc/49/42/74/937494274.db2.gz OSYZRBFDELIESG-FUHWJXTLSA-N 1 3 292.467 3.162 20 0 CGADHO CCCCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccccc1 ZINC001459614497 937494275 /nfs/dbraw/zinc/49/42/75/937494275.db2.gz OSYZRBFDELIESG-FUHWJXTLSA-N 1 3 292.467 3.162 20 0 CGADHO Fc1ccc(/C=C/C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC001461049551 937561597 /nfs/dbraw/zinc/56/15/97/937561597.db2.gz FWFXQYWPQCWGFI-YRLOJYSSSA-N 1 3 274.383 3.055 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC001461069382 937561732 /nfs/dbraw/zinc/56/17/32/937561732.db2.gz WOZLUBRFOWYUGC-LSDHHAIUSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891172 932690957 /nfs/dbraw/zinc/69/09/57/932690957.db2.gz CTKKZRAOAGHNDA-XTBFLFJDSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1CC[C@H](N)C[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001235891172 932690963 /nfs/dbraw/zinc/69/09/63/932690963.db2.gz CTKKZRAOAGHNDA-XTBFLFJDSA-N 1 3 278.827 3.255 20 0 CGADHO CN1CC[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011949 933033656 /nfs/dbraw/zinc/03/36/56/933033656.db2.gz UPJGWCHZKJWWLN-MJGOQNOKSA-N 1 3 280.415 3.366 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001308011949 933033661 /nfs/dbraw/zinc/03/36/61/933033661.db2.gz UPJGWCHZKJWWLN-MJGOQNOKSA-N 1 3 280.415 3.366 20 0 CGADHO CCc1ccccc1C[NH+]1CCC(C)(N2CCC2)CC1 ZINC001308035936 933039749 /nfs/dbraw/zinc/03/97/49/933039749.db2.gz XVAXLLJRWAEGDA-UHFFFAOYSA-N 1 3 272.436 3.309 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CN3CCC2CC3)C1 ZINC001462637423 937656161 /nfs/dbraw/zinc/65/61/61/937656161.db2.gz UTKAKDOVKMLGPS-HLLBOEOZSA-N 1 3 264.457 3.134 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568261 933134923 /nfs/dbraw/zinc/13/49/23/933134923.db2.gz CPJUNJXYVBSCDV-NVXWUHKLSA-N 1 3 299.462 3.483 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001308568261 933134925 /nfs/dbraw/zinc/13/49/25/933134925.db2.gz CPJUNJXYVBSCDV-NVXWUHKLSA-N 1 3 299.462 3.483 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001329364099 935208933 /nfs/dbraw/zinc/20/89/33/935208933.db2.gz PIMWRFJCULZCBM-WMLDXEAASA-N 1 3 281.403 3.074 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329364099 935208936 /nfs/dbraw/zinc/20/89/36/935208936.db2.gz PIMWRFJCULZCBM-WMLDXEAASA-N 1 3 281.403 3.074 20 0 CGADHO C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC001329925716 935254469 /nfs/dbraw/zinc/25/44/69/935254469.db2.gz NJLINPLWDLTQKL-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC001329925716 935254472 /nfs/dbraw/zinc/25/44/72/935254472.db2.gz NJLINPLWDLTQKL-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO C[NH2+][C@H](C)CCN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC001331835001 935413216 /nfs/dbraw/zinc/41/32/16/935413216.db2.gz ODESFSXSLOTIBJ-GDBMZVCRSA-N 1 3 260.425 3.268 20 0 CGADHO CCCN1CCN(c2c(C)c[nH+]c3ccccc32)CC1 ZINC001332943934 935499184 /nfs/dbraw/zinc/49/91/84/935499184.db2.gz DLPVDDRLUTTZLJ-UHFFFAOYSA-N 1 3 269.392 3.075 20 0 CGADHO CCC[NH+]1CCN(c2c(C)cnc3ccccc32)CC1 ZINC001332943934 935499186 /nfs/dbraw/zinc/49/91/86/935499186.db2.gz DLPVDDRLUTTZLJ-UHFFFAOYSA-N 1 3 269.392 3.075 20 0 CGADHO COc1cccc([C@@H]2CCCN2C[C@H]2CCCC[NH2+]C2)c1 ZINC001334738467 936110460 /nfs/dbraw/zinc/11/04/60/936110460.db2.gz PEZMFBKWQVFITA-YJBOKZPZSA-N 1 3 288.435 3.222 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@H+](Cc2ccccc2)C1 ZINC001336396836 936191541 /nfs/dbraw/zinc/19/15/41/936191541.db2.gz VGJXEHAHBZVWRT-INIZCTEOSA-N 1 3 281.403 3.040 20 0 CGADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001336396836 936191542 /nfs/dbraw/zinc/19/15/42/936191542.db2.gz VGJXEHAHBZVWRT-INIZCTEOSA-N 1 3 281.403 3.040 20 0 CGADHO CO[C@@H](C[NH2+]C[C@H](N)CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838337 936293973 /nfs/dbraw/zinc/29/39/73/936293973.db2.gz NWFQXRSNXXVBEX-CVEARBPZSA-N 1 3 296.430 3.256 20 0 CGADHO CCCCCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001473759418 937820580 /nfs/dbraw/zinc/82/05/80/937820580.db2.gz FYXLOGMMLOBGQX-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001473759418 937820582 /nfs/dbraw/zinc/82/05/82/937820582.db2.gz FYXLOGMMLOBGQX-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC001473759418 937820584 /nfs/dbraw/zinc/82/05/84/937820584.db2.gz FYXLOGMMLOBGQX-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO COc1cc(C[NH2+]CC2(CN(C)C)CCCC2)ccc1F ZINC001474105760 937840474 /nfs/dbraw/zinc/84/04/74/937840474.db2.gz ABYKJVGDQWOOGZ-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC(C)CCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001474347994 937853368 /nfs/dbraw/zinc/85/33/68/937853368.db2.gz AHGYCBWKBSNQBJ-QGZVFWFLSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)CCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001474347994 937853370 /nfs/dbraw/zinc/85/33/70/937853370.db2.gz AHGYCBWKBSNQBJ-QGZVFWFLSA-N 1 3 266.473 3.476 20 0 CGADHO Cc1nocc1[C@H](C)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001550955643 938173247 /nfs/dbraw/zinc/17/32/47/938173247.db2.gz YFYLEAXECAIGKA-KTAKPFMOSA-N 1 3 291.439 3.431 20 0 CGADHO CC1(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CCCC1 ZINC001551238394 938178335 /nfs/dbraw/zinc/17/83/35/938178335.db2.gz LQSUYNIFQLDKEU-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238076 938178432 /nfs/dbraw/zinc/17/84/32/938178432.db2.gz ILXAXPBGSWKLJG-RZZCCWGQSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CCC1 ZINC001551238567 938178468 /nfs/dbraw/zinc/17/84/68/938178468.db2.gz ZNHMIGCJEGIOJG-ADKAHSJRSA-N 1 3 294.483 3.188 20 0 CGADHO c1coc([C@@H]2C[C@@H]2C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC001551377580 938180482 /nfs/dbraw/zinc/18/04/82/938180482.db2.gz GEJDAALFGJGYGI-WCXIOVBPSA-N 1 3 288.435 3.141 20 0 CGADHO FC1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC001553024368 938195855 /nfs/dbraw/zinc/19/58/55/938195855.db2.gz ZQUXCAYMPCDSDE-QDIHITRGSA-N 1 3 268.420 3.025 20 0 CGADHO FC1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC001553024369 938195948 /nfs/dbraw/zinc/19/59/48/938195948.db2.gz ZQUXCAYMPCDSDE-SSHXOBKSSA-N 1 3 268.420 3.025 20 0 CGADHO C[N@H+](CCCSC(C)(C)C)CCCN1CCCC1 ZINC001559791311 938235659 /nfs/dbraw/zinc/23/56/59/938235659.db2.gz YQLUNUVUDVJKTR-UHFFFAOYSA-N 1 3 272.502 3.326 20 0 CGADHO C[N@@H+](CCCSC(C)(C)C)CCCN1CCCC1 ZINC001559791311 938235660 /nfs/dbraw/zinc/23/56/60/938235660.db2.gz YQLUNUVUDVJKTR-UHFFFAOYSA-N 1 3 272.502 3.326 20 0 CGADHO C[N@@H+]1C[C@@]23CN(CCCC(C)(F)F)C[C@]2(C1)CCCC3 ZINC001560237643 938248358 /nfs/dbraw/zinc/24/83/58/938248358.db2.gz CGPUHVNOSLQLTN-IYBDPMFKSA-N 1 3 286.410 3.230 20 0 CGADHO C[N@H+]1C[C@@]23CN(CCCC(C)(F)F)C[C@]2(C1)CCCC3 ZINC001560237643 938248359 /nfs/dbraw/zinc/24/83/59/938248359.db2.gz CGPUHVNOSLQLTN-IYBDPMFKSA-N 1 3 286.410 3.230 20 0 CGADHO CO[C@@H](CNCC[C@@H](C)[NH+]1CCCCC1)C1CCCC1 ZINC001560750963 938273996 /nfs/dbraw/zinc/27/39/96/938273996.db2.gz MRJIEEXZQVEWIS-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@@H](C[NH2+]CC[C@@H](C)N1CCCCC1)C1CCCC1 ZINC001560750963 938273998 /nfs/dbraw/zinc/27/39/98/938273998.db2.gz MRJIEEXZQVEWIS-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]CCC3CCCCCC3)[C@H]2C1 ZINC001561052676 938292393 /nfs/dbraw/zinc/29/23/93/938292393.db2.gz IGRVBUNQWGBXKF-YESZJQIVSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC001575549707 962387830 /nfs/dbraw/zinc/38/78/30/962387830.db2.gz LKIKLSKFAMKKNG-GOEBONIOSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](Cc1ccccc1Cl)NC[C@H]([NH3+])CC(F)(F)F ZINC001576058178 962431441 /nfs/dbraw/zinc/43/14/41/962431441.db2.gz VDNRLOFPBPEXKJ-MWLCHTKSSA-N 1 3 294.748 3.140 20 0 CGADHO C[C@]1(CN2CCCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001576502639 962468872 /nfs/dbraw/zinc/46/88/72/962468872.db2.gz DNGIJYBMPIYSDJ-ROUUACIJSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@@]1(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503099 962471018 /nfs/dbraw/zinc/47/10/18/962471018.db2.gz LSSBMXKZJWKUPP-ZWKOTPCHSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@@]1(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503099 962471024 /nfs/dbraw/zinc/47/10/24/962471024.db2.gz LSSBMXKZJWKUPP-ZWKOTPCHSA-N 1 3 290.426 3.222 20 0 CGADHO CC[C@@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC001577262600 962515879 /nfs/dbraw/zinc/51/58/79/962515879.db2.gz KAFHAMZVVYOQNQ-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC001577262600 962515897 /nfs/dbraw/zinc/51/58/97/962515897.db2.gz KAFHAMZVVYOQNQ-NWDGAFQWSA-N 1 3 264.438 3.014 20 0 CGADHO Cc1cc(C)cc(CCN2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001579580170 962633893 /nfs/dbraw/zinc/63/38/93/962633893.db2.gz RRYHWBRAYZUQHK-IBGZPJMESA-N 1 3 286.463 3.312 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC2(CN)CC2)c1 ZINC001579671693 962650985 /nfs/dbraw/zinc/65/09/85/962650985.db2.gz KURPBTLDMLQWIU-INIZCTEOSA-N 1 3 258.409 3.179 20 0 CGADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC2(CN)CC2)c1 ZINC001579671693 962650992 /nfs/dbraw/zinc/65/09/92/962650992.db2.gz KURPBTLDMLQWIU-INIZCTEOSA-N 1 3 258.409 3.179 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H](CN)C(C)C)cc1 ZINC001579684508 962654232 /nfs/dbraw/zinc/65/42/32/962654232.db2.gz HIFJTWASXBNHNN-ROUUACIJSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H](CN)C(C)C)cc1 ZINC001579684508 962654237 /nfs/dbraw/zinc/65/42/37/962654237.db2.gz HIFJTWASXBNHNN-ROUUACIJSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc([C@H]2CC[N@@H+](C[C@H](CN)C(C)C)C2)cc1 ZINC001579678227 962658305 /nfs/dbraw/zinc/65/83/05/962658305.db2.gz IVSZIEKWUWGIQZ-IRXDYDNUSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccc([C@H]2CC[N@H+](C[C@H](CN)C(C)C)C2)cc1 ZINC001579678227 962658314 /nfs/dbraw/zinc/65/83/14/962658314.db2.gz IVSZIEKWUWGIQZ-IRXDYDNUSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](CN)C(C)C)C1 ZINC001579795337 962674932 /nfs/dbraw/zinc/67/49/32/962674932.db2.gz NPYWMHAQYQIBIC-JKSUJKDBSA-N 1 3 260.425 3.015 20 0 CGADHO Cc1ccccc1[C@H]1CC[N@H+](C[C@@H](CN)C(C)C)C1 ZINC001579795337 962674939 /nfs/dbraw/zinc/67/49/39/962674939.db2.gz NPYWMHAQYQIBIC-JKSUJKDBSA-N 1 3 260.425 3.015 20 0 CGADHO N[C@H](CC[NH2+]C1CC2(C1)CCCC2)Cc1ccccc1 ZINC001580126937 962696733 /nfs/dbraw/zinc/69/67/33/962696733.db2.gz GQXHTGWTAPEQTH-MRXNPFEDSA-N 1 3 272.436 3.259 20 0 CGADHO [NH3+]C[C@H]1CCCN(Cc2cccc(CC3CCC3)c2)C1 ZINC001580262907 962706565 /nfs/dbraw/zinc/70/65/65/962706565.db2.gz CKHZKMCUDDMNKM-GOSISDBHSA-N 1 3 272.436 3.200 20 0 CGADHO Cc1cc([C@H](C)NCC2CC[NH+](C3CC3)CC2)oc1C ZINC000337479561 214109743 /nfs/dbraw/zinc/10/97/43/214109743.db2.gz PZQUOFMPYUTHHF-ZDUSSCGKSA-N 1 3 276.424 3.421 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000422794077 282122369 /nfs/dbraw/zinc/12/23/69/282122369.db2.gz GFUXWEWQHRCWLV-WBVHZDCISA-N 1 3 274.452 3.461 20 0 CGADHO CC(C)CN(C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000651864779 398298238 /nfs/dbraw/zinc/29/82/38/398298238.db2.gz DKVHOAKKEKPHMT-UHFFFAOYSA-N 1 3 262.388 3.132 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H]1CS[C@H](C(C)C)C1 ZINC000651865630 398299104 /nfs/dbraw/zinc/29/91/04/398299104.db2.gz BFMGMMHWRXXZRA-CABCVRRESA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H]1CS[C@H](C(C)C)C1 ZINC000651865630 398299105 /nfs/dbraw/zinc/29/91/05/398299105.db2.gz BFMGMMHWRXXZRA-CABCVRRESA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000651865630 398299107 /nfs/dbraw/zinc/29/91/07/398299107.db2.gz BFMGMMHWRXXZRA-CABCVRRESA-N 1 3 272.502 3.084 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H](C)Cc1ccsc1 ZINC000651866119 398299221 /nfs/dbraw/zinc/29/92/21/398299221.db2.gz VSZQWGAYYZDCFR-AWEZNQCLSA-N 1 3 268.470 3.247 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)Cc1ccsc1 ZINC000651866119 398299223 /nfs/dbraw/zinc/29/92/23/398299223.db2.gz VSZQWGAYYZDCFR-AWEZNQCLSA-N 1 3 268.470 3.247 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000337989301 214345801 /nfs/dbraw/zinc/34/58/01/214345801.db2.gz PWAWZZVFVGBJBH-QKPAOTATSA-N 1 3 270.436 3.367 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCN ZINC000437796984 529425946 /nfs/dbraw/zinc/42/59/46/529425946.db2.gz IJWHHQNHPBTARM-GFCCVEGCSA-N 1 3 275.223 3.253 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NCCC[NH3+] ZINC000437796984 529425948 /nfs/dbraw/zinc/42/59/48/529425948.db2.gz IJWHHQNHPBTARM-GFCCVEGCSA-N 1 3 275.223 3.253 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423499643 529545765 /nfs/dbraw/zinc/54/57/65/529545765.db2.gz CHWGEVWTRSJDFX-SLFFLAALSA-N 1 3 294.442 3.353 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1C[C@H]1C ZINC000414065598 529631320 /nfs/dbraw/zinc/63/13/20/529631320.db2.gz HEPBWTJUPLLDGA-JLSDUUJJSA-N 1 3 290.451 3.151 20 0 CGADHO C[N@@H+]1CC[C@H](NCCSc2ccccc2)CC1(C)C ZINC000623341602 349782402 /nfs/dbraw/zinc/78/24/02/349782402.db2.gz KNRSZZLOZRUTJV-AWEZNQCLSA-N 1 3 278.465 3.241 20 0 CGADHO C[N@H+]1CC[C@H](NCCSc2ccccc2)CC1(C)C ZINC000623341602 349782406 /nfs/dbraw/zinc/78/24/06/349782406.db2.gz KNRSZZLOZRUTJV-AWEZNQCLSA-N 1 3 278.465 3.241 20 0 CGADHO C[C@@H](F)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000351751875 136381063 /nfs/dbraw/zinc/38/10/63/136381063.db2.gz DOWVBRQLHLUCHS-OAHLLOKOSA-N 1 3 293.430 3.368 20 0 CGADHO C[C@@H](F)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000351751875 136381064 /nfs/dbraw/zinc/38/10/64/136381064.db2.gz DOWVBRQLHLUCHS-OAHLLOKOSA-N 1 3 293.430 3.368 20 0 CGADHO CCc1ccc([C@H](CC)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423408114 529722522 /nfs/dbraw/zinc/72/25/22/529722522.db2.gz WZKRSJHFYOBXHX-RRQGHBQHSA-N 1 3 260.425 3.288 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000423408114 529722524 /nfs/dbraw/zinc/72/25/24/529722524.db2.gz WZKRSJHFYOBXHX-RRQGHBQHSA-N 1 3 260.425 3.288 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623560140 349835055 /nfs/dbraw/zinc/83/50/55/349835055.db2.gz WNGRZLYKDMOQEN-HYVNUMGLSA-N 1 3 272.436 3.313 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623560140 349835057 /nfs/dbraw/zinc/83/50/57/349835057.db2.gz WNGRZLYKDMOQEN-HYVNUMGLSA-N 1 3 272.436 3.313 20 0 CGADHO CN1CC[C@@H]([NH2+]Cc2ccc3occc3c2)CC1(C)C ZINC000623563778 349835822 /nfs/dbraw/zinc/83/58/22/349835822.db2.gz JUNWPEUVTSWDGC-OAHLLOKOSA-N 1 3 272.392 3.395 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNCc2cccc3cnccc32)C1 ZINC000623657794 349859246 /nfs/dbraw/zinc/85/92/46/349859246.db2.gz ZCUWNBZWIZPQJB-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNCc2cccc3cnccc32)C1 ZINC000623657794 349859251 /nfs/dbraw/zinc/85/92/51/349859251.db2.gz ZCUWNBZWIZPQJB-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000623657794 349859259 /nfs/dbraw/zinc/85/92/59/349859259.db2.gz ZCUWNBZWIZPQJB-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656028 349856959 /nfs/dbraw/zinc/85/69/59/349856959.db2.gz LGTVPRVLSZJCIU-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656028 349856960 /nfs/dbraw/zinc/85/69/60/349856960.db2.gz LGTVPRVLSZJCIU-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656028 349856963 /nfs/dbraw/zinc/85/69/63/349856963.db2.gz LGTVPRVLSZJCIU-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO COc1ccccc1CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000351549045 219123039 /nfs/dbraw/zinc/12/30/39/219123039.db2.gz XHRBTEHTZIIUCH-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO COc1ccccc1CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000351549045 219123040 /nfs/dbraw/zinc/12/30/40/219123040.db2.gz XHRBTEHTZIIUCH-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000423284007 290718144 /nfs/dbraw/zinc/71/81/44/290718144.db2.gz XXBYQZWUHCFBPH-YOEHRIQHSA-N 1 3 260.425 3.281 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](CC(C)C)c1cccs1 ZINC000423271632 529986060 /nfs/dbraw/zinc/98/60/60/529986060.db2.gz JCCBJSDXWNBOKO-OLZOCXBDSA-N 1 3 254.443 3.280 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040622192 344964069 /nfs/dbraw/zinc/96/40/69/344964069.db2.gz FDFFPLXVIIHZTI-HZPDHXFCSA-N 1 3 260.425 3.110 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000040622770 344964385 /nfs/dbraw/zinc/96/43/85/344964385.db2.gz CCUSJHNWQMLADD-QQFBHYJXSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000040622770 344964387 /nfs/dbraw/zinc/96/43/87/344964387.db2.gz CCUSJHNWQMLADD-QQFBHYJXSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNC2CC(c3ccccc3F)C2)C1 ZINC000040622770 344964390 /nfs/dbraw/zinc/96/43/90/344964390.db2.gz CCUSJHNWQMLADD-QQFBHYJXSA-N 1 3 290.426 3.392 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000040620837 344964431 /nfs/dbraw/zinc/96/44/31/344964431.db2.gz AWMYQHJSXCNSRR-QGZVFWFLSA-N 1 3 274.452 3.432 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620837 344964432 /nfs/dbraw/zinc/96/44/32/344964432.db2.gz AWMYQHJSXCNSRR-QGZVFWFLSA-N 1 3 274.452 3.432 20 0 CGADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(C(C)C)C2)c(C)c1 ZINC000040620837 344964435 /nfs/dbraw/zinc/96/44/35/344964435.db2.gz AWMYQHJSXCNSRR-QGZVFWFLSA-N 1 3 274.452 3.432 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000040622724 344964468 /nfs/dbraw/zinc/96/44/68/344964468.db2.gz RUQUJBRCYZJHLF-MXWWQKGMSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNC2CC(c3ccc(F)cc3)C2)C1 ZINC000040622724 344964469 /nfs/dbraw/zinc/96/44/69/344964469.db2.gz RUQUJBRCYZJHLF-MXWWQKGMSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNC2CC(c3ccc(F)cc3)C2)C1 ZINC000040622724 344964472 /nfs/dbraw/zinc/96/44/72/344964472.db2.gz RUQUJBRCYZJHLF-MXWWQKGMSA-N 1 3 290.426 3.392 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000044534849 345012882 /nfs/dbraw/zinc/01/28/82/345012882.db2.gz ZWEVSYUYKZRIKU-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000044534849 345012884 /nfs/dbraw/zinc/01/28/84/345012884.db2.gz ZWEVSYUYKZRIKU-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO C1=CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000090036249 345778365 /nfs/dbraw/zinc/77/83/65/345778365.db2.gz QCNDGXBXPRNRPE-OAHLLOKOSA-N 1 3 262.441 3.482 20 0 CGADHO CCC(CC)(CO)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090801083 345794600 /nfs/dbraw/zinc/79/46/00/345794600.db2.gz LZMODBWUPZBAQT-UHFFFAOYSA-N 1 3 296.499 3.172 20 0 CGADHO CCC(CC)(CO)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000090801083 345794603 /nfs/dbraw/zinc/79/46/03/345794603.db2.gz LZMODBWUPZBAQT-UHFFFAOYSA-N 1 3 296.499 3.172 20 0 CGADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(F)cn1 ZINC000092739384 345855268 /nfs/dbraw/zinc/85/52/68/345855268.db2.gz NUDPCZWOBUAZBI-OAHLLOKOSA-N 1 3 293.430 3.383 20 0 CGADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1CCC1 ZINC000092821589 345859533 /nfs/dbraw/zinc/85/95/33/345859533.db2.gz JDXRNZXDRQXXLC-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1CCC1 ZINC000092821589 345859534 /nfs/dbraw/zinc/85/95/34/345859534.db2.gz JDXRNZXDRQXXLC-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093213612 345872849 /nfs/dbraw/zinc/87/28/49/345872849.db2.gz QXYWRHIFFAOJQS-YDHLFZDLSA-N 1 3 276.424 3.461 20 0 CGADHO CC[N@H+](CC[C@@H]1CCCCN1C)Cc1ccc(OC)cc1 ZINC000351643308 219161111 /nfs/dbraw/zinc/16/11/11/219161111.db2.gz IMWLWHKDWVDLHV-KRWDZBQOSA-N 1 3 290.451 3.392 20 0 CGADHO CC[N@@H+](CC[C@@H]1CCCCN1C)Cc1ccc(OC)cc1 ZINC000351643308 219161113 /nfs/dbraw/zinc/16/11/13/219161113.db2.gz IMWLWHKDWVDLHV-KRWDZBQOSA-N 1 3 290.451 3.392 20 0 CGADHO CCCC[C@@H](COC)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000120744853 345999480 /nfs/dbraw/zinc/99/94/80/345999480.db2.gz QGCZSTLBBWORHH-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO CCCC[C@@H](COC)NC1CC[NH+](CC2CCCC2)CC1 ZINC000120744853 345999481 /nfs/dbraw/zinc/99/94/81/345999481.db2.gz QGCZSTLBBWORHH-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000159956777 346169543 /nfs/dbraw/zinc/16/95/43/346169543.db2.gz MDNCYCABCKXXLX-HONMWMINSA-N 1 3 252.789 3.261 20 0 CGADHO C[NH2+]C[C@@H]1CCN([C@H](C)c2cccc3ccccc32)C1 ZINC000251528471 346388956 /nfs/dbraw/zinc/38/89/56/346388956.db2.gz MHTDOIUWFDWYNU-CABCVRRESA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@@H]1CC[N@@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000251528471 346388961 /nfs/dbraw/zinc/38/89/61/346388961.db2.gz MHTDOIUWFDWYNU-CABCVRRESA-N 1 3 268.404 3.442 20 0 CGADHO CNC[C@@H]1CC[N@H+]([C@H](C)c2cccc3ccccc32)C1 ZINC000251528471 346388963 /nfs/dbraw/zinc/38/89/63/346388963.db2.gz MHTDOIUWFDWYNU-CABCVRRESA-N 1 3 268.404 3.442 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000253354711 346393923 /nfs/dbraw/zinc/39/39/23/346393923.db2.gz HZAHUCSSOMZOJJ-HYVNUMGLSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)C(F)(F)F ZINC000584714164 346709552 /nfs/dbraw/zinc/70/95/52/346709552.db2.gz ADYBNJLCOYFMAO-NEPJUHHUSA-N 1 3 280.378 3.475 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119654 349975431 /nfs/dbraw/zinc/97/54/31/349975431.db2.gz GRXPMMHOAAWGOP-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO CCCC1CCC(CN2CCC([NH2+]C)CC2)CC1 ZINC000470010615 534918213 /nfs/dbraw/zinc/91/82/13/534918213.db2.gz AIABKULLHRTGBE-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC1CCC(C[NH+]2CCC(NC)CC2)CC1 ZINC000470010615 534918219 /nfs/dbraw/zinc/91/82/19/534918219.db2.gz AIABKULLHRTGBE-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc(SCCN2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351852273 219226213 /nfs/dbraw/zinc/22/62/13/219226213.db2.gz MHMDJICSMHYCNV-CABCVRRESA-N 1 3 278.465 3.065 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120317 349976274 /nfs/dbraw/zinc/97/62/74/349976274.db2.gz WCOUUYKSMYPOAN-SJLPKXTDSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120509 349977161 /nfs/dbraw/zinc/97/71/61/349977161.db2.gz ARIKGBPBVVKPEL-UKRRQHHQSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120509 349977164 /nfs/dbraw/zinc/97/71/64/349977164.db2.gz ARIKGBPBVVKPEL-UKRRQHHQSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120509 349977167 /nfs/dbraw/zinc/97/71/67/349977167.db2.gz ARIKGBPBVVKPEL-UKRRQHHQSA-N 1 3 266.454 3.001 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc2c(c1)COC2 ZINC000624121431 349979025 /nfs/dbraw/zinc/97/90/25/349979025.db2.gz WHIHHVGYWJONSB-HUUCEWRRSA-N 1 3 288.435 3.099 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000624123053 349982141 /nfs/dbraw/zinc/98/21/41/349982141.db2.gz DVBCLHFYWJNLJT-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO [NH3+]CC[C@@H]1CCCN(CCCc2c(F)cccc2Cl)C1 ZINC000339409213 215151446 /nfs/dbraw/zinc/15/14/46/215151446.db2.gz XWQAONBULKUUKA-ZDUSSCGKSA-N 1 3 298.833 3.473 20 0 CGADHO CC[N@H+](CCCCOc1ccccc1)[C@H]1CCCNCC1 ZINC000339409832 215153968 /nfs/dbraw/zinc/15/39/68/215153968.db2.gz NZJMPEABPXWHGC-KRWDZBQOSA-N 1 3 290.451 3.310 20 0 CGADHO CC[N@@H+](CCCCOc1ccccc1)[C@H]1CCCNCC1 ZINC000339409832 215153969 /nfs/dbraw/zinc/15/39/69/215153969.db2.gz NZJMPEABPXWHGC-KRWDZBQOSA-N 1 3 290.451 3.310 20 0 CGADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000128904917 187398483 /nfs/dbraw/zinc/39/84/83/187398483.db2.gz BMJHJKOOEVZPQF-CYBMUJFWSA-N 1 3 278.827 3.222 20 0 CGADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000613262389 348582135 /nfs/dbraw/zinc/58/21/35/348582135.db2.gz CPPZVNSAYQRZKH-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO CCCC1CCC([NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000414823168 282633540 /nfs/dbraw/zinc/63/35/40/282633540.db2.gz BCLHFJVMZOHTBE-YHNBSYBMSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+]CCCN(C)C(C)C ZINC000359630802 233349344 /nfs/dbraw/zinc/34/93/44/233349344.db2.gz HWJCOYLTKONJAF-KRWDZBQOSA-N 1 3 260.425 3.302 20 0 CGADHO CC[N@H+](CCC(C)(C)OC)Cc1ccc(CN(C)C)cc1 ZINC000626063112 350254725 /nfs/dbraw/zinc/25/47/25/350254725.db2.gz RKDLUBXVWSEBNS-UHFFFAOYSA-N 1 3 292.467 3.385 20 0 CGADHO CC[N@@H+](CCC(C)(C)OC)Cc1ccc(CN(C)C)cc1 ZINC000626063112 350254728 /nfs/dbraw/zinc/25/47/28/350254728.db2.gz RKDLUBXVWSEBNS-UHFFFAOYSA-N 1 3 292.467 3.385 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000628425944 350536508 /nfs/dbraw/zinc/53/65/08/350536508.db2.gz ZYGNOUOWQPEDGG-RBSFLKMASA-N 1 3 284.513 3.228 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000628425517 350536990 /nfs/dbraw/zinc/53/69/90/350536990.db2.gz NVJZFSFJUOMDLL-OAHLLOKOSA-N 1 3 264.457 3.421 20 0 CGADHO FC1(F)C[C@H]2CC[C@@H](C1)N2Cc1cccc2c1CC[NH2+]C2 ZINC000629550181 350711082 /nfs/dbraw/zinc/71/10/82/350711082.db2.gz NARFGKOOAYLDRW-GASCZTMLSA-N 1 3 292.373 3.094 20 0 CGADHO C[C@H](NCC(C)(C)c1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000629551939 350711907 /nfs/dbraw/zinc/71/19/07/350711907.db2.gz YBEMDRCYXOAQHT-AWEZNQCLSA-N 1 3 282.431 3.315 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)c1ccc2ccccc2c1)C1CNC1 ZINC000629551939 350711908 /nfs/dbraw/zinc/71/19/08/350711908.db2.gz YBEMDRCYXOAQHT-AWEZNQCLSA-N 1 3 282.431 3.315 20 0 CGADHO C[C@@H]1CCC[C@H](CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629656763 350731619 /nfs/dbraw/zinc/73/16/19/350731619.db2.gz QHFBEXMGUSCDLE-RFGFWPKPSA-N 1 3 292.389 3.272 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1 ZINC000631227919 350999835 /nfs/dbraw/zinc/99/98/35/350999835.db2.gz UZMJJPUUVGXCRJ-WMZOPIPTSA-N 1 3 288.435 3.049 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000631666632 351111698 /nfs/dbraw/zinc/11/16/98/351111698.db2.gz GHKRRYPAXYVWPX-NUJGCVRESA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000631666632 351111701 /nfs/dbraw/zinc/11/17/01/351111701.db2.gz GHKRRYPAXYVWPX-NUJGCVRESA-N 1 3 296.499 3.170 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@H]1CCCc2ncccc21)C(C)(C)C ZINC000631579918 351076083 /nfs/dbraw/zinc/07/60/83/351076083.db2.gz CQFRQSKQYVQCKL-DLBZAZTESA-N 1 3 289.467 3.415 20 0 CGADHO Cc1cc(C[N@@H+]2CCCCC[C@@H](N)C2)c2ccccc2n1 ZINC000631833666 351149480 /nfs/dbraw/zinc/14/94/80/351149480.db2.gz FSZPBPXXYSZCAP-MRXNPFEDSA-N 1 3 283.419 3.247 20 0 CGADHO Cc1cc(C[N@H+]2CCCCC[C@@H](N)C2)c2ccccc2n1 ZINC000631833666 351149483 /nfs/dbraw/zinc/14/94/83/351149483.db2.gz FSZPBPXXYSZCAP-MRXNPFEDSA-N 1 3 283.419 3.247 20 0 CGADHO FC(F)(F)c1ccc2c(c1)CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000631834568 351149958 /nfs/dbraw/zinc/14/99/58/351149958.db2.gz ADKVQZFRERZSLX-LBPRGKRZSA-N 1 3 298.352 3.063 20 0 CGADHO C[C@@H](Cc1ccsc1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733079 351578738 /nfs/dbraw/zinc/57/87/38/351578738.db2.gz WWTSYCNJKSGAOY-JSGCOSHPSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733079 351578739 /nfs/dbraw/zinc/57/87/39/351578739.db2.gz WWTSYCNJKSGAOY-JSGCOSHPSA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733987 351579993 /nfs/dbraw/zinc/57/99/93/351579993.db2.gz UEACZTICWMCILD-WBVHZDCISA-N 1 3 274.452 3.376 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634734149 351580268 /nfs/dbraw/zinc/58/02/68/351580268.db2.gz YEOXLYLYRDGFEM-MNOVXSKESA-N 1 3 266.351 3.085 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000634957493 351609646 /nfs/dbraw/zinc/60/96/46/351609646.db2.gz OLKGOYVAPUHJKA-MRXNPFEDSA-N 1 3 286.463 3.254 20 0 CGADHO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635005311 351623517 /nfs/dbraw/zinc/62/35/17/351623517.db2.gz JCLLIJKSSURBDB-DOTOQJQBSA-N 1 3 289.467 3.161 20 0 CGADHO c1cc(C[NH2+]C2CCC3(CC3)CC2)c2c(c1)CNCC2 ZINC000635006237 351624690 /nfs/dbraw/zinc/62/46/90/351624690.db2.gz BGOJKDJJDPWPTH-UHFFFAOYSA-N 1 3 270.420 3.145 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCNc3ccccc32)C1 ZINC000635007341 351625532 /nfs/dbraw/zinc/62/55/32/351625532.db2.gz AUSWAZTVFGDXMW-RHSMWYFYSA-N 1 3 287.451 3.301 20 0 CGADHO N[C@H](CC[NH2+][C@@H](C1CC1)C1CCC1)Cc1ccccc1 ZINC000635007948 351626642 /nfs/dbraw/zinc/62/66/42/351626642.db2.gz QKHLSXVLRZPGSU-QZTJIDSGSA-N 1 3 272.436 3.115 20 0 CGADHO N[C@@H](CC[NH2+][C@H]1CCCC12CCC2)Cc1ccccc1 ZINC000635009133 351626944 /nfs/dbraw/zinc/62/69/44/351626944.db2.gz TXXTULFZSNMRJU-IRXDYDNUSA-N 1 3 272.436 3.259 20 0 CGADHO c1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c2c(c1)CNCC2 ZINC000635009599 351627138 /nfs/dbraw/zinc/62/71/38/351627138.db2.gz ILPQDLXZUGJJEQ-MSOLQXFVSA-N 1 3 270.420 3.001 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000122832016 187054176 /nfs/dbraw/zinc/05/41/76/187054176.db2.gz CIXJQDVFGCMCEG-OSMZGAPFSA-N 1 3 266.454 3.498 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000122832016 187054177 /nfs/dbraw/zinc/05/41/77/187054177.db2.gz CIXJQDVFGCMCEG-OSMZGAPFSA-N 1 3 266.454 3.498 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccn(C)c1 ZINC000123233979 187079203 /nfs/dbraw/zinc/07/92/03/187079203.db2.gz IBIBCGZIVIOGFW-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccn(C)c1 ZINC000123233979 187079204 /nfs/dbraw/zinc/07/92/04/187079204.db2.gz IBIBCGZIVIOGFW-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO Cc1oc2ccccc2c1CN1CCCC[C@H]1CC[NH3+] ZINC000123582972 187099821 /nfs/dbraw/zinc/09/98/21/187099821.db2.gz AKPXQXNRXQWNBF-AWEZNQCLSA-N 1 3 272.392 3.445 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113415 198167625 /nfs/dbraw/zinc/16/76/25/198167625.db2.gz JHSZFMCRNTVZPR-WMLDXEAASA-N 1 3 292.854 3.471 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@]2(CCN(C)C2)C1)c1cccc(Cl)c1 ZINC000292113415 198167626 /nfs/dbraw/zinc/16/76/26/198167626.db2.gz JHSZFMCRNTVZPR-WMLDXEAASA-N 1 3 292.854 3.471 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905550 295850638 /nfs/dbraw/zinc/85/06/38/295850638.db2.gz LLOKXRLRDGWRDA-RYUDHWBXSA-N 1 3 266.351 3.087 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423108992 282905746 /nfs/dbraw/zinc/90/57/46/282905746.db2.gz MZIFMCHQPQZBEZ-RWMBFGLXSA-N 1 3 290.373 3.229 20 0 CGADHO CCCC[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423533683 282936105 /nfs/dbraw/zinc/93/61/05/282936105.db2.gz YENXIRVGPWEYJD-CNSOWSRNSA-N 1 3 264.457 3.308 20 0 CGADHO Fc1cccc2c1CC[C@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423390518 283020612 /nfs/dbraw/zinc/02/06/12/283020612.db2.gz OXILHFMUCRYPBD-GOSISDBHSA-N 1 3 282.362 3.206 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271833294 191355334 /nfs/dbraw/zinc/35/53/34/191355334.db2.gz FHGKPKBALGGGPK-INIZCTEOSA-N 1 3 272.436 3.168 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)c(C)c1 ZINC000414057199 235324756 /nfs/dbraw/zinc/32/47/56/235324756.db2.gz FQFNPBQCLYCFHX-OAHLLOKOSA-N 1 3 276.424 3.140 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(F)cc1 ZINC000093495784 138346867 /nfs/dbraw/zinc/34/68/67/138346867.db2.gz BQVTVXVCVBALLF-RHSMWYFYSA-N 1 3 278.415 3.269 20 0 CGADHO C1C[C@@H]([NH2+]C2CCCCC2)[C@@H]([C@@H]2CCCCN2)C1 ZINC000093487981 138346941 /nfs/dbraw/zinc/34/69/41/138346941.db2.gz XIUQWAQEYRALSZ-OWCLPIDISA-N 1 3 250.430 3.220 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422958726 235949514 /nfs/dbraw/zinc/94/95/14/235949514.db2.gz YXMPXYFFUUPWGO-DOMZBBRYSA-N 1 3 284.806 3.129 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423227212 236001744 /nfs/dbraw/zinc/00/17/44/236001744.db2.gz UWKPMNGZYQMXEH-KBPBESRZSA-N 1 3 269.392 3.137 20 0 CGADHO Cc1cc2cc([C@H](C)[NH2+][C@H](CN)C3CC3)oc2cc1C ZINC000423279603 236020288 /nfs/dbraw/zinc/02/02/88/236020288.db2.gz RPXBQGKFZMWZSH-SWLSCSKDSA-N 1 3 272.392 3.438 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc(O)c2)cc1 ZINC000423293397 236027472 /nfs/dbraw/zinc/02/74/72/236027472.db2.gz RGCFGCIMWRKILJ-CHWSQXEVSA-N 1 3 270.376 3.263 20 0 CGADHO Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H](C)CN)ccc1Cl ZINC000423302645 236030390 /nfs/dbraw/zinc/03/03/90/236030390.db2.gz HPKGJDZQRJTOAN-TZMCWYRMSA-N 1 3 298.858 3.380 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000423265760 236014309 /nfs/dbraw/zinc/01/43/09/236014309.db2.gz CYNORPXNCQKDHP-YXJHDRRASA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(-n2ccnc2)cc1 ZINC000423265760 236014310 /nfs/dbraw/zinc/01/43/10/236014310.db2.gz CYNORPXNCQKDHP-YXJHDRRASA-N 1 3 298.434 3.040 20 0 CGADHO N[C@@H](C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317875 236037037 /nfs/dbraw/zinc/03/70/37/236037037.db2.gz KTYUGNIEVRAILX-OALUTQOASA-N 1 3 298.405 3.436 20 0 CGADHO [NH3+][C@H](CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000423319597 236037297 /nfs/dbraw/zinc/03/72/97/236037297.db2.gz LSLPZTMVUBHUQF-FVQBIDKESA-N 1 3 278.827 3.303 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423366109 236051894 /nfs/dbraw/zinc/05/18/94/236051894.db2.gz BNACDVKVRNQAJH-ZOPJHEKZSA-N 1 3 276.399 3.309 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000423369016 236052559 /nfs/dbraw/zinc/05/25/59/236052559.db2.gz DRQNTAYIVJXZIJ-CYZMBNFOSA-N 1 3 284.350 3.209 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423438860 236071054 /nfs/dbraw/zinc/07/10/54/236071054.db2.gz NOUZJSGZNCQIBL-FUEDEBDSSA-N 1 3 280.362 3.004 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000423465863 236077452 /nfs/dbraw/zinc/07/74/52/236077452.db2.gz HYRQDLZELIMSIG-SZVBFZGTSA-N 1 3 295.430 3.278 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000423472685 236079352 /nfs/dbraw/zinc/07/93/52/236079352.db2.gz XUXNRYILDZMWEO-GVXVVHGQSA-N 1 3 268.351 3.133 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000423497534 236087487 /nfs/dbraw/zinc/08/74/87/236087487.db2.gz ACGYOLBPNTWHRY-BBWFWOEESA-N 1 3 270.420 3.054 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000423509986 236089142 /nfs/dbraw/zinc/08/91/42/236089142.db2.gz PCQJMNDISFATJK-MZMPZRCHSA-N 1 3 299.393 3.027 20 0 CGADHO c1ccc([C@H]2CC[C@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000423561117 236099123 /nfs/dbraw/zinc/09/91/23/236099123.db2.gz PTJUBZBYXSVIDW-RDJZCZTQSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H]1CC2(CN1Cc1cc(F)ccc1Cl)CC[NH2+]CC2 ZINC000424289595 236143073 /nfs/dbraw/zinc/14/30/73/236143073.db2.gz MBUGDRWDEHMIRN-LBPRGKRZSA-N 1 3 296.817 3.443 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298221537 200364451 /nfs/dbraw/zinc/36/44/51/200364451.db2.gz ALLPBKBEKCFQBB-IVMQYODDSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000298221537 200364452 /nfs/dbraw/zinc/36/44/52/200364452.db2.gz ALLPBKBEKCFQBB-IVMQYODDSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000298221537 200364454 /nfs/dbraw/zinc/36/44/54/200364454.db2.gz ALLPBKBEKCFQBB-IVMQYODDSA-N 1 3 286.463 3.428 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000104137749 296016262 /nfs/dbraw/zinc/01/62/62/296016262.db2.gz CYFFOXUKCMYFFU-VXGBXAGGSA-N 1 3 266.816 3.460 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000178380390 189111970 /nfs/dbraw/zinc/11/19/70/189111970.db2.gz PZTXMZXJIWLLOJ-ZMSDIMECSA-N 1 3 292.492 3.405 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000178380390 189111971 /nfs/dbraw/zinc/11/19/71/189111971.db2.gz PZTXMZXJIWLLOJ-ZMSDIMECSA-N 1 3 292.492 3.405 20 0 CGADHO COc1ccc(C[N@H+](C)CC2CCN(C)CC2)cc1Cl ZINC000179318289 189185766 /nfs/dbraw/zinc/18/57/66/189185766.db2.gz MKDTVFLYSRNRGC-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO COc1ccc(C[N@@H+](C)CC2CCN(C)CC2)cc1Cl ZINC000179318289 189185767 /nfs/dbraw/zinc/18/57/67/189185767.db2.gz MKDTVFLYSRNRGC-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC(C)(C)CO)CC1 ZINC000449406439 239389358 /nfs/dbraw/zinc/38/93/58/239389358.db2.gz AULRAMDBHPATIF-DOTOQJQBSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cccc(CO)c1 ZINC000121032843 370823297 /nfs/dbraw/zinc/82/32/97/370823297.db2.gz WEWXKGWDNIKOLU-HOTGVXAUSA-N 1 3 290.451 3.094 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc3ccccc3o2)C1 ZINC000459729348 242195478 /nfs/dbraw/zinc/19/54/78/242195478.db2.gz JCMBIUBWTFWLKO-AWEZNQCLSA-N 1 3 272.392 3.254 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cc3ccccc3o2)C1 ZINC000459729348 242195481 /nfs/dbraw/zinc/19/54/81/242195481.db2.gz JCMBIUBWTFWLKO-AWEZNQCLSA-N 1 3 272.392 3.254 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2cnc(C(C)(C)C)s2)C1 ZINC000459747089 242208109 /nfs/dbraw/zinc/20/81/09/242208109.db2.gz ZTGBZNAFBYRGRO-ZDUSSCGKSA-N 1 3 295.496 3.262 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2cnc(C(C)(C)C)s2)C1 ZINC000459747089 242208117 /nfs/dbraw/zinc/20/81/17/242208117.db2.gz ZTGBZNAFBYRGRO-ZDUSSCGKSA-N 1 3 295.496 3.262 20 0 CGADHO c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)ccn1 ZINC000121673036 370884334 /nfs/dbraw/zinc/88/43/34/370884334.db2.gz TYHYOPPFGOUWSM-UHFFFAOYSA-N 1 3 287.451 3.170 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000477927956 243060526 /nfs/dbraw/zinc/06/05/26/243060526.db2.gz QGUFTHBJZFDDTM-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049553321 369408769 /nfs/dbraw/zinc/40/87/69/369408769.db2.gz DVZFTNWUJIGQJZ-UONOGXRCSA-N 1 3 264.413 3.076 20 0 CGADHO CCC[C@@H](CC)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000050401342 369438557 /nfs/dbraw/zinc/43/85/57/369438557.db2.gz UXVSWGDLCQCCHI-CQSZACIVSA-N 1 3 261.413 3.219 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000062077386 369617472 /nfs/dbraw/zinc/61/74/72/369617472.db2.gz FWCOUUUDCAVYAR-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000085128181 370016438 /nfs/dbraw/zinc/01/64/38/370016438.db2.gz DUKSOTDYVHLFQE-OLZOCXBDSA-N 1 3 278.362 3.183 20 0 CGADHO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000090219992 370059108 /nfs/dbraw/zinc/05/91/08/370059108.db2.gz BXXAPOKXXNVWOH-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc3ccccc32)CC[N@@H+]1C ZINC000090721200 370066370 /nfs/dbraw/zinc/06/63/70/370066370.db2.gz CNSBBWBBFIWYBW-RHSMWYFYSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@H](NCc2cccc3ccccc32)CC[N@H+]1C ZINC000090721200 370066373 /nfs/dbraw/zinc/06/63/73/370066373.db2.gz CNSBBWBBFIWYBW-RHSMWYFYSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccs1 ZINC000093496095 370135994 /nfs/dbraw/zinc/13/59/94/370135994.db2.gz BIHANFIBBCIQJS-KGLIPLIRSA-N 1 3 266.454 3.191 20 0 CGADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)o1 ZINC000093639075 370150767 /nfs/dbraw/zinc/15/07/67/370150767.db2.gz VFLHHPMNNVMBJQ-XJKSGUPXSA-N 1 3 264.413 3.004 20 0 CGADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)o1 ZINC000093639075 370150770 /nfs/dbraw/zinc/15/07/70/370150770.db2.gz VFLHHPMNNVMBJQ-XJKSGUPXSA-N 1 3 264.413 3.004 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC1(C)C)CN1CCCCC1 ZINC000094307662 370166492 /nfs/dbraw/zinc/16/64/92/370166492.db2.gz XCULCVBOQCZGEU-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO Fc1ccc(/C=C\C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1F ZINC000512147059 245021683 /nfs/dbraw/zinc/02/16/83/245021683.db2.gz JJBKWCIVALQILI-DSLCMKTCSA-N 1 3 292.373 3.194 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C[C@H](C)O1 ZINC000512278717 245030591 /nfs/dbraw/zinc/03/05/91/245030591.db2.gz KLIOIHYBUAHFFH-QXDIGNSFSA-N 1 3 296.499 3.290 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000113513310 370476645 /nfs/dbraw/zinc/47/66/45/370476645.db2.gz ONNZVTSSTIVDSZ-INIZCTEOSA-N 1 3 298.430 3.102 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000113513310 370476651 /nfs/dbraw/zinc/47/66/51/370476651.db2.gz ONNZVTSSTIVDSZ-INIZCTEOSA-N 1 3 298.430 3.102 20 0 CGADHO CCc1ccc([C@@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000129584985 370995126 /nfs/dbraw/zinc/99/51/26/370995126.db2.gz IUHGICLPCOYWAR-CPUCHLNUSA-N 1 3 260.425 3.382 20 0 CGADHO CCc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129584985 370995130 /nfs/dbraw/zinc/99/51/30/370995130.db2.gz IUHGICLPCOYWAR-CPUCHLNUSA-N 1 3 260.425 3.382 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(F)cc1N(C)C ZINC000132161839 371156345 /nfs/dbraw/zinc/15/63/45/371156345.db2.gz LUBPKJWWKOPAEW-ZDUSSCGKSA-N 1 3 295.446 3.130 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132229255 371159364 /nfs/dbraw/zinc/15/93/64/371159364.db2.gz HCZZDDZMSMVNOU-HIFRSBDPSA-N 1 3 284.403 3.018 20 0 CGADHO CCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000151037543 371560816 /nfs/dbraw/zinc/56/08/16/371560816.db2.gz UVYWNXDKVVMRJQ-CQSZACIVSA-N 1 3 264.413 3.078 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C[C@H](C)CN(C)C ZINC000421851107 371674461 /nfs/dbraw/zinc/67/44/61/371674461.db2.gz FIMPUZNNHAVHDU-NWDGAFQWSA-N 1 3 286.822 3.197 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)NC[C@H](C)C[NH+](C)C ZINC000421851107 371674462 /nfs/dbraw/zinc/67/44/62/371674462.db2.gz FIMPUZNNHAVHDU-NWDGAFQWSA-N 1 3 286.822 3.197 20 0 CGADHO CC[C@@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000152166062 371679783 /nfs/dbraw/zinc/67/97/83/371679783.db2.gz SNQDUMGUGCHGKD-ZIAGYGMSSA-N 1 3 264.413 3.076 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccncc1Cl ZINC000421863719 371686606 /nfs/dbraw/zinc/68/66/06/371686606.db2.gz XNZGKTCKFRXVBV-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863719 371686609 /nfs/dbraw/zinc/68/66/09/371686609.db2.gz XNZGKTCKFRXVBV-QWHCGFSZSA-N 1 3 281.831 3.118 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(C2CC2)c1 ZINC000422557965 371747888 /nfs/dbraw/zinc/74/78/88/371747888.db2.gz XQDVQTDOYMBQBP-IRXDYDNUSA-N 1 3 258.409 3.171 20 0 CGADHO CCOc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000422763637 371791706 /nfs/dbraw/zinc/79/17/06/371791706.db2.gz UGMVBYVXBJTUKV-IHRRRGAJSA-N 1 3 294.439 3.260 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000422764606 371791763 /nfs/dbraw/zinc/79/17/63/371791763.db2.gz JZKGOEUCLORDER-IUODEOHRSA-N 1 3 298.883 3.410 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422701729 371760181 /nfs/dbraw/zinc/76/01/81/371760181.db2.gz JDEFFDKNUXTWLR-CZUORRHYSA-N 1 3 292.854 3.479 20 0 CGADHO Fc1ccc([C@@H](N[C@H]2CCC[NH2+]CC2)C2CCC2)cc1 ZINC000422712953 371763891 /nfs/dbraw/zinc/76/38/91/371763891.db2.gz JCQRGAQVYHTDHF-IRXDYDNUSA-N 1 3 276.399 3.399 20 0 CGADHO Cc1ccc(CSCCN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422762041 371792830 /nfs/dbraw/zinc/79/28/30/371792830.db2.gz HZZZRXYZKWSSRT-NVXWUHKLSA-N 1 3 292.492 3.206 20 0 CGADHO Cc1ccc(CSCC[NH2+][C@@H]2CCNCC[C@H]2C)cc1 ZINC000422762041 371792835 /nfs/dbraw/zinc/79/28/35/371792835.db2.gz HZZZRXYZKWSSRT-NVXWUHKLSA-N 1 3 292.492 3.206 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1Cl ZINC000422732772 371772988 /nfs/dbraw/zinc/77/29/88/371772988.db2.gz QIWBDZSFUVGSRQ-KBPBESRZSA-N 1 3 284.806 3.226 20 0 CGADHO COC[C@@H](CCC[NH3+])N[C@H](c1ccccc1Cl)C(C)C ZINC000422749571 371782726 /nfs/dbraw/zinc/78/27/26/371782726.db2.gz ZSNIEXKVFAZZAY-CJNGLKHVSA-N 1 3 298.858 3.381 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1Cl ZINC000422836214 371832330 /nfs/dbraw/zinc/83/23/30/371832330.db2.gz JPQINBHLBFMNBP-UMVBOHGHSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Oc1ccccc1Cl ZINC000422836214 371832337 /nfs/dbraw/zinc/83/23/37/371832337.db2.gz JPQINBHLBFMNBP-UMVBOHGHSA-N 1 3 296.842 3.214 20 0 CGADHO CCC(CC)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422798082 371816238 /nfs/dbraw/zinc/81/62/38/371816238.db2.gz PQMPWUVITYPHMB-JKSUJKDBSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000422807700 371822373 /nfs/dbraw/zinc/82/23/73/371822373.db2.gz PBXXUVKIBLWSNC-HBNTYKKESA-N 1 3 272.339 3.064 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000422814332 371826319 /nfs/dbraw/zinc/82/63/19/371826319.db2.gz UJQQKBGUWALYMJ-DNVCBOLYSA-N 1 3 298.430 3.196 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422816000 371826632 /nfs/dbraw/zinc/82/66/32/371826632.db2.gz CWNXKRNCQWXLQA-LPWJVIDDSA-N 1 3 278.362 3.085 20 0 CGADHO CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)Oc1ccccc1F ZINC000422814811 371827280 /nfs/dbraw/zinc/82/72/80/371827280.db2.gz AGNLVZQJGMQULQ-FMKPAKJESA-N 1 3 294.414 3.103 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1ccc(-c2ccncc2)cc1 ZINC000422815977 371827792 /nfs/dbraw/zinc/82/77/92/371827792.db2.gz YWIAMQOSCFNZTL-AWEZNQCLSA-N 1 3 281.403 3.151 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000422865230 371845253 /nfs/dbraw/zinc/84/52/53/371845253.db2.gz XHZNSJSMNWTLJN-GHMZBOCLSA-N 1 3 269.458 3.219 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890203 371855657 /nfs/dbraw/zinc/85/56/57/371855657.db2.gz HWVMTSATQKEXLK-MOPGFXCFSA-N 1 3 296.414 3.235 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCCc2cccc(F)c2)c2ccccc21 ZINC000422909674 371863105 /nfs/dbraw/zinc/86/31/05/371863105.db2.gz OQFSDTAJKATDIM-QZTJIDSGSA-N 1 3 284.378 3.493 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)Cc1ccccc1 ZINC000422911621 371863525 /nfs/dbraw/zinc/86/35/25/371863525.db2.gz LFYDXHRPUMEDKD-DLBZAZTESA-N 1 3 274.452 3.362 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)c2ccccc21 ZINC000422915061 371866041 /nfs/dbraw/zinc/86/60/41/371866041.db2.gz AOAIQKAHMXXIDQ-AXUOBQJMSA-N 1 3 278.399 3.352 20 0 CGADHO CC(C)(C)c1ccc(OCCN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422924772 371873203 /nfs/dbraw/zinc/87/32/03/371873203.db2.gz BDTMJCJWAQJPRP-WMLDXEAASA-N 1 3 290.451 3.080 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422932562 371878693 /nfs/dbraw/zinc/87/86/93/371878693.db2.gz ZNKZPOCRZWURSS-AEFFLSMTSA-N 1 3 286.463 3.377 20 0 CGADHO C[C@H](NCCc1cccc(Cl)c1Cl)[C@H]1CC[NH2+]C1 ZINC000422936692 371879946 /nfs/dbraw/zinc/87/99/46/371879946.db2.gz FQWUDDGKPCTLFQ-JQWIXIFHSA-N 1 3 287.234 3.124 20 0 CGADHO Cc1cccc([C@@H](N[C@H](C)C2C[NH2+]C2)C(C)(C)C)c1 ZINC000422841283 371837422 /nfs/dbraw/zinc/83/74/22/371837422.db2.gz VMKYIPZNZJSQKU-CZUORRHYSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1cccc([C@@H]([NH2+][C@H](C)C2CNC2)C(C)(C)C)c1 ZINC000422841283 371837425 /nfs/dbraw/zinc/83/74/25/371837425.db2.gz VMKYIPZNZJSQKU-CZUORRHYSA-N 1 3 260.425 3.280 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCSc2c(F)cccc21 ZINC000422846522 371839329 /nfs/dbraw/zinc/83/93/29/371839329.db2.gz PYOZQCMIKGYMKW-NILFDRSVSA-N 1 3 294.439 3.470 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCN1 ZINC000422853053 371841504 /nfs/dbraw/zinc/84/15/04/371841504.db2.gz RUKMMMUCHQOYCL-WUHRBBMRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423052846 371935901 /nfs/dbraw/zinc/93/59/01/371935901.db2.gz QPHPBXKNXHTNTB-DIECFANBSA-N 1 3 290.451 3.086 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423052846 371935908 /nfs/dbraw/zinc/93/59/08/371935908.db2.gz QPHPBXKNXHTNTB-DIECFANBSA-N 1 3 290.451 3.086 20 0 CGADHO CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000423060480 371939592 /nfs/dbraw/zinc/93/95/92/371939592.db2.gz OMUNGDWXDPEAGX-SJORKVTESA-N 1 3 289.467 3.281 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)C1CNC1 ZINC000423058004 371939764 /nfs/dbraw/zinc/93/97/64/371939764.db2.gz BGVVKZHFNKCXED-NWANDNLSSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1cccnc1OC1CCCC1 ZINC000422961190 371892445 /nfs/dbraw/zinc/89/24/45/371892445.db2.gz BARAWXDVSIUWKG-AWEZNQCLSA-N 1 3 291.439 3.010 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccccc1C(C)(C)C ZINC000422960475 371893249 /nfs/dbraw/zinc/89/32/49/371893249.db2.gz WNFITKPSHUYXQZ-ZIAGYGMSSA-N 1 3 278.440 3.078 20 0 CGADHO CC(C)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])Nc1ccccc1 ZINC000422978731 371899831 /nfs/dbraw/zinc/89/98/31/371899831.db2.gz KKMHZPWAMQMYJH-BZSNNMDCSA-N 1 3 289.467 3.373 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC23CCC(CC2)C3)c2ccccc21 ZINC000423012542 371914668 /nfs/dbraw/zinc/91/46/68/371914668.db2.gz KWAGRBPXNQLCBP-KDFVVIITSA-N 1 3 256.393 3.301 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(c2ccccc2Cl)CC1 ZINC000423033748 371926213 /nfs/dbraw/zinc/92/62/13/371926213.db2.gz ZWOQYSPMIGSNLI-CJNGLKHVSA-N 1 3 292.854 3.349 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423033748 371926215 /nfs/dbraw/zinc/92/62/15/371926215.db2.gz ZWOQYSPMIGSNLI-CJNGLKHVSA-N 1 3 292.854 3.349 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423038636 371928341 /nfs/dbraw/zinc/92/83/41/371928341.db2.gz OSTKFIUWPCXQFN-UQOMUDLDSA-N 1 3 293.480 3.065 20 0 CGADHO Cc1csc([C@H](C)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423038634 371928408 /nfs/dbraw/zinc/92/84/08/371928408.db2.gz OSTKFIUWPCXQFN-NMFUWQPSSA-N 1 3 293.480 3.065 20 0 CGADHO CSCCCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423047605 371933249 /nfs/dbraw/zinc/93/32/49/371933249.db2.gz GVBFHLCACZREOC-LBPRGKRZSA-N 1 3 281.469 3.033 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093333 371958712 /nfs/dbraw/zinc/95/87/12/371958712.db2.gz HACUTFHPYYTWLK-DIPIGXQDSA-N 1 3 296.817 3.384 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093333 371958719 /nfs/dbraw/zinc/95/87/19/371958719.db2.gz HACUTFHPYYTWLK-DIPIGXQDSA-N 1 3 296.817 3.384 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423100281 371962659 /nfs/dbraw/zinc/96/26/59/371962659.db2.gz UZZUGNFUZJJDHB-NMFUWQPSSA-N 1 3 264.800 3.055 20 0 CGADHO c1ccc(C2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)nc1 ZINC000423103239 371967640 /nfs/dbraw/zinc/96/76/40/371967640.db2.gz GAOYFAWWCUHVJC-YESZJQIVSA-N 1 3 299.462 3.014 20 0 CGADHO CC(C)c1ccc(O[C@@H](C)CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423105858 371970787 /nfs/dbraw/zinc/97/07/87/371970787.db2.gz IXWXGXMLTVTEDO-KKUMJFAQSA-N 1 3 278.440 3.293 20 0 CGADHO Cc1cc(CC[NH2+][C@H]2CCNCC[C@H]2C)ccc1Cl ZINC000423144045 371989051 /nfs/dbraw/zinc/98/90/51/371989051.db2.gz YEEQWUXNOCVITR-WBMJQRKESA-N 1 3 280.843 3.169 20 0 CGADHO Cc1cc(CCN[C@H]2CC[NH2+]CC[C@H]2C)ccc1Cl ZINC000423144045 371989058 /nfs/dbraw/zinc/98/90/58/371989058.db2.gz YEEQWUXNOCVITR-WBMJQRKESA-N 1 3 280.843 3.169 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC2(C3CCC3)CCC2)c2ccccc21 ZINC000423170507 372002896 /nfs/dbraw/zinc/00/28/96/372002896.db2.gz MHJANBPUVMEAKV-HZPDHXFCSA-N 1 3 256.393 3.444 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423163295 371997707 /nfs/dbraw/zinc/99/77/07/371997707.db2.gz MNMWXFOAAUSEES-HIFRSBDPSA-N 1 3 250.430 3.064 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccc(F)cc1 ZINC000290488534 372000403 /nfs/dbraw/zinc/00/04/03/372000403.db2.gz OLCWDUQMECIYCA-KYJSFNMBSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccc(F)cc1 ZINC000290488534 372000408 /nfs/dbraw/zinc/00/04/08/372000408.db2.gz OLCWDUQMECIYCA-KYJSFNMBSA-N 1 3 290.426 3.345 20 0 CGADHO COc1ccc([C@@H](N[C@@H](C)CCC[NH3+])c2ccco2)cc1 ZINC000423170085 372000455 /nfs/dbraw/zinc/00/04/55/372000455.db2.gz XJIHWRPGHJQQOT-SUMWQHHRSA-N 1 3 288.391 3.095 20 0 CGADHO CCCOc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000423070437 371947465 /nfs/dbraw/zinc/94/74/65/371947465.db2.gz NHFYLSQNYSWFEB-RHSMWYFYSA-N 1 3 276.424 3.001 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)Oc1ccc(Cl)cc1 ZINC000423074689 371949315 /nfs/dbraw/zinc/94/93/15/371949315.db2.gz MPHNVXYOGWEOGZ-WOSRLPQWSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423074689 371949320 /nfs/dbraw/zinc/94/93/20/371949320.db2.gz MPHNVXYOGWEOGZ-WOSRLPQWSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000423074697 371950012 /nfs/dbraw/zinc/95/00/12/371950012.db2.gz MPQRWBQMOJDMEK-JSRQGNBESA-N 1 3 296.499 3.181 20 0 CGADHO Cc1cccc(OCCC[NH2+][C@H]2CCNCC[C@@H]2C)c1C ZINC000423081328 371951662 /nfs/dbraw/zinc/95/16/62/371951662.db2.gz CUGVJQJSMDAHAR-RDJZCZTQSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(OCCCN[C@H]2CC[NH2+]CC[C@@H]2C)c1C ZINC000423081328 371951664 /nfs/dbraw/zinc/95/16/64/371951664.db2.gz CUGVJQJSMDAHAR-RDJZCZTQSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(OCCCN[C@@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000423080109 371952078 /nfs/dbraw/zinc/95/20/78/371952078.db2.gz BLHNLVVXBGTJLT-DLBZAZTESA-N 1 3 290.451 3.322 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000290553799 372017068 /nfs/dbraw/zinc/01/70/68/372017068.db2.gz RYPIMJGWMVLCRV-NXHRZFHOSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000290553799 372017070 /nfs/dbraw/zinc/01/70/70/372017070.db2.gz RYPIMJGWMVLCRV-NXHRZFHOSA-N 1 3 272.436 3.206 20 0 CGADHO C[C@@H](CC[NH2+]C1CC(OC(C)(C)C)C1)N1CCCCC1 ZINC000157362928 372018387 /nfs/dbraw/zinc/01/83/87/372018387.db2.gz RDWRLVWTJNCBBE-FHERZECASA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H](CCNC1CC(OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000157362928 372018392 /nfs/dbraw/zinc/01/83/92/372018392.db2.gz RDWRLVWTJNCBBE-FHERZECASA-N 1 3 282.472 3.187 20 0 CGADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423198685 372023270 /nfs/dbraw/zinc/02/32/70/372023270.db2.gz HFRAAZFIPLSSSD-NVXWUHKLSA-N 1 3 290.451 3.404 20 0 CGADHO CNCCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423198483 372023782 /nfs/dbraw/zinc/02/37/82/372023782.db2.gz GDSHLCXIKHGKFG-NEPJUHHUSA-N 1 3 254.805 3.031 20 0 CGADHO C[NH2+]CCCN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423198483 372023789 /nfs/dbraw/zinc/02/37/89/372023789.db2.gz GDSHLCXIKHGKFG-NEPJUHHUSA-N 1 3 254.805 3.031 20 0 CGADHO C[NH2+]CCCN[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423203205 372026300 /nfs/dbraw/zinc/02/63/00/372026300.db2.gz RWLWFVQGCPQMML-INIZCTEOSA-N 1 3 282.431 3.406 20 0 CGADHO CNCCC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000423203205 372026309 /nfs/dbraw/zinc/02/63/09/372026309.db2.gz RWLWFVQGCPQMML-INIZCTEOSA-N 1 3 282.431 3.406 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2NC[C@H]1CCC[NH2+]C1 ZINC000423219419 372038843 /nfs/dbraw/zinc/03/88/43/372038843.db2.gz WOUBHFNOCMEWIO-YOEHRIQHSA-N 1 3 258.409 3.043 20 0 CGADHO c1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCCNC1 ZINC000423219419 372038848 /nfs/dbraw/zinc/03/88/48/372038848.db2.gz WOUBHFNOCMEWIO-YOEHRIQHSA-N 1 3 258.409 3.043 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423222027 372039852 /nfs/dbraw/zinc/03/98/52/372039852.db2.gz ZGLMDAZNAURMFC-ABJHKEKUSA-N 1 3 272.436 3.156 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@H](C)C2 ZINC000423346161 372053580 /nfs/dbraw/zinc/05/35/80/372053580.db2.gz PSONVEVKJRTYMW-ZTFGCOKTSA-N 1 3 272.436 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H](C)C2 ZINC000423346161 372053590 /nfs/dbraw/zinc/05/35/90/372053590.db2.gz PSONVEVKJRTYMW-ZTFGCOKTSA-N 1 3 272.436 3.208 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185991 372058075 /nfs/dbraw/zinc/05/80/75/372058075.db2.gz RWZHTOPEBZIWFH-QWHCGFSZSA-N 1 3 278.465 3.229 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185991 372058085 /nfs/dbraw/zinc/05/80/85/372058085.db2.gz RWZHTOPEBZIWFH-QWHCGFSZSA-N 1 3 278.465 3.229 20 0 CGADHO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CCCN)cc1 ZINC000423186124 372012959 /nfs/dbraw/zinc/01/29/59/372012959.db2.gz WKIMUJYSNVIFGR-MRXNPFEDSA-N 1 3 290.451 3.291 20 0 CGADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC(C)(C)NC(C)(C)C3)C[C@H]2C1 ZINC000424260557 372080723 /nfs/dbraw/zinc/08/07/23/372080723.db2.gz OGAINNNEYVYMQI-UWOLEIRVSA-N 1 3 294.483 3.089 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@H](C[NH+](C)C)C1 ZINC000293186680 372321182 /nfs/dbraw/zinc/32/11/82/372321182.db2.gz WBOFJLQONSORRL-OAHLLOKOSA-N 1 3 283.419 3.240 20 0 CGADHO CCc1cc(N2CC[C@@H](C[NH+](C)C)C2)c2ccccc2n1 ZINC000293186881 372321482 /nfs/dbraw/zinc/32/14/82/372321482.db2.gz WDLDGEKAKHWMHT-AWEZNQCLSA-N 1 3 283.419 3.185 20 0 CGADHO Cc1ccc(C)c(C[N@@H+](C)CC[C@@H]2CCCN2C)c1 ZINC000429296216 372346296 /nfs/dbraw/zinc/34/62/96/372346296.db2.gz RKYJVRRFWONWBT-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+](C)CC[C@@H]2CCCN2C)c1 ZINC000429296216 372346303 /nfs/dbraw/zinc/34/63/03/372346303.db2.gz RKYJVRRFWONWBT-KRWDZBQOSA-N 1 3 260.425 3.220 20 0 CGADHO C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000430972508 372411388 /nfs/dbraw/zinc/41/13/88/372411388.db2.gz QCZJAKLAGJTUGU-RDTXWAMCSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000430972508 372411394 /nfs/dbraw/zinc/41/13/94/372411394.db2.gz QCZJAKLAGJTUGU-RDTXWAMCSA-N 1 3 268.404 3.051 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000294236491 372622925 /nfs/dbraw/zinc/62/29/25/372622925.db2.gz OSMJLXRVTHFNRU-STQMWFEESA-N 1 3 252.427 3.049 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2)o1 ZINC000435374879 372753200 /nfs/dbraw/zinc/75/32/00/372753200.db2.gz RXCDNXUHHJGGOP-KBPBESRZSA-N 1 3 270.376 3.116 20 0 CGADHO CCOc1cccc(CN(CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435373125 372753696 /nfs/dbraw/zinc/75/36/96/372753696.db2.gz UAQWLVCSKLJUPB-MRXNPFEDSA-N 1 3 276.424 3.049 20 0 CGADHO CCN(CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435618023 372784496 /nfs/dbraw/zinc/78/44/96/372784496.db2.gz PCKXWFMUYRPXTD-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO C[N@H+](CCCc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC000435623171 372786833 /nfs/dbraw/zinc/78/68/33/372786833.db2.gz UEMLTGFLYWULLF-INIZCTEOSA-N 1 3 280.843 3.347 20 0 CGADHO C[N@@H+](CCCc1ccc(Cl)cc1)[C@H]1CCCNCC1 ZINC000435623171 372786838 /nfs/dbraw/zinc/78/68/38/372786838.db2.gz UEMLTGFLYWULLF-INIZCTEOSA-N 1 3 280.843 3.347 20 0 CGADHO CN(CCCc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435623171 372786843 /nfs/dbraw/zinc/78/68/43/372786843.db2.gz UEMLTGFLYWULLF-INIZCTEOSA-N 1 3 280.843 3.347 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000344606644 217248385 /nfs/dbraw/zinc/24/83/85/217248385.db2.gz FIKZDTQZIHWIEJ-RRFJBIMHSA-N 1 3 264.438 3.067 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000333243523 205148521 /nfs/dbraw/zinc/14/85/21/205148521.db2.gz FHEWQLJOEIKBIY-LTIDMASMSA-N 1 3 287.451 3.276 20 0 CGADHO C[C@@H](CN1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000438114200 372888315 /nfs/dbraw/zinc/88/83/15/372888315.db2.gz DJJBLBFDAKANBC-JKSUJKDBSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114200 372888321 /nfs/dbraw/zinc/88/83/21/372888321.db2.gz DJJBLBFDAKANBC-JKSUJKDBSA-N 1 3 290.426 3.347 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)c1ccc(F)cc1 ZINC000438114200 372888329 /nfs/dbraw/zinc/88/83/29/372888329.db2.gz DJJBLBFDAKANBC-JKSUJKDBSA-N 1 3 290.426 3.347 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000438180980 372905801 /nfs/dbraw/zinc/90/58/01/372905801.db2.gz QQQFUISDTNMBHC-IRXDYDNUSA-N 1 3 290.451 3.308 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212244 372914163 /nfs/dbraw/zinc/91/41/63/372914163.db2.gz HFCDMVZYMUZSJG-HOCLYGCPSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212244 372914167 /nfs/dbraw/zinc/91/41/67/372914167.db2.gz HFCDMVZYMUZSJG-HOCLYGCPSA-N 1 3 290.426 3.363 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1COc1ccccc1 ZINC000296363973 373105033 /nfs/dbraw/zinc/10/50/33/373105033.db2.gz RBSXIDFWNVBKIS-IRXDYDNUSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1COc1ccccc1 ZINC000296363973 373105040 /nfs/dbraw/zinc/10/50/40/373105040.db2.gz RBSXIDFWNVBKIS-IRXDYDNUSA-N 1 3 288.435 3.014 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000443652335 373160567 /nfs/dbraw/zinc/16/05/67/373160567.db2.gz GDIZRZREWPSDHY-BZSNNMDCSA-N 1 3 276.468 3.397 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000443652335 373160572 /nfs/dbraw/zinc/16/05/72/373160572.db2.gz GDIZRZREWPSDHY-BZSNNMDCSA-N 1 3 276.468 3.397 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918280 373216041 /nfs/dbraw/zinc/21/60/41/373216041.db2.gz OBKFDVINGAWUTB-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000173918280 373216051 /nfs/dbraw/zinc/21/60/51/373216051.db2.gz OBKFDVINGAWUTB-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1 ZINC000173918280 373216059 /nfs/dbraw/zinc/21/60/59/373216059.db2.gz OBKFDVINGAWUTB-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1 ZINC000173918280 373216067 /nfs/dbraw/zinc/21/60/67/373216067.db2.gz OBKFDVINGAWUTB-MAUKXSAKSA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@H+](CCCN1CCCCC1)Cc1ccc(OC)cc1 ZINC000444570653 373203941 /nfs/dbraw/zinc/20/39/41/373203941.db2.gz IEEMIHHMJMRLDK-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO CC[N@@H+](CCCN1CCCCC1)Cc1ccc(OC)cc1 ZINC000444570653 373203950 /nfs/dbraw/zinc/20/39/50/373203950.db2.gz IEEMIHHMJMRLDK-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@@H+]1CCCN1CCCCC1 ZINC000444596786 373205806 /nfs/dbraw/zinc/20/58/06/373205806.db2.gz NWQNYPTVRMHCHM-INIZCTEOSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@H]1Cc2ccccc2C[N@H+]1CCCN1CCCCC1 ZINC000444596786 373205815 /nfs/dbraw/zinc/20/58/15/373205815.db2.gz NWQNYPTVRMHCHM-INIZCTEOSA-N 1 3 272.436 3.309 20 0 CGADHO Fc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298355934 373300269 /nfs/dbraw/zinc/30/02/69/373300269.db2.gz JXYKJDRQZYKSDB-UHFFFAOYSA-N 1 3 299.393 3.022 20 0 CGADHO COC[C@H](NCCC[NH+](C(C)C)C(C)C)C1CCCC1 ZINC000446839476 373369187 /nfs/dbraw/zinc/36/91/87/373369187.db2.gz AKAXOLXGKZPZOT-KRWDZBQOSA-N 1 3 284.488 3.290 20 0 CGADHO CSCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000300634293 373637728 /nfs/dbraw/zinc/63/77/28/373637728.db2.gz MZTFPORRQMQJPV-BZUAXINKSA-N 1 3 284.513 3.420 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000449438318 373715951 /nfs/dbraw/zinc/71/59/51/373715951.db2.gz BOADMEQUWQZFGS-CYBMUJFWSA-N 1 3 250.430 3.172 20 0 CGADHO CC/C=C\C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000449451873 373734005 /nfs/dbraw/zinc/73/40/05/373734005.db2.gz DQSICBUBBVPWMU-QDBVJCLKSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C\CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449451873 373734019 /nfs/dbraw/zinc/73/40/19/373734019.db2.gz DQSICBUBBVPWMU-QDBVJCLKSA-N 1 3 272.436 3.453 20 0 CGADHO CC/C=C\CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449451873 373734028 /nfs/dbraw/zinc/73/40/28/373734028.db2.gz DQSICBUBBVPWMU-QDBVJCLKSA-N 1 3 272.436 3.453 20 0 CGADHO CO[C@]1(C)C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000178208335 373753879 /nfs/dbraw/zinc/75/38/79/373753879.db2.gz HKYOXWRWWDKPRV-RHSMWYFYSA-N 1 3 282.472 3.043 20 0 CGADHO Cc1cccc(C(C)(C)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000179598159 373892615 /nfs/dbraw/zinc/89/26/15/373892615.db2.gz VBULLHOYSBWBNU-MRXNPFEDSA-N 1 3 260.425 3.304 20 0 CGADHO Cc1cccc(C(C)(C)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000179598159 373892620 /nfs/dbraw/zinc/89/26/20/373892620.db2.gz VBULLHOYSBWBNU-MRXNPFEDSA-N 1 3 260.425 3.304 20 0 CGADHO Cc1cc(NC[C@H](C)N2CCc3ccccc3C2)cc[nH+]1 ZINC000302326192 373853500 /nfs/dbraw/zinc/85/35/00/373853500.db2.gz SOFQIBMQHKKONX-HNNXBMFYSA-N 1 3 281.403 3.249 20 0 CGADHO C[C@H](NCc1ccn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309748480 374194678 /nfs/dbraw/zinc/19/46/78/374194678.db2.gz YQISBGBCXQMUHD-QFBILLFUSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H](NCc1ccn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309748480 374194684 /nfs/dbraw/zinc/19/46/84/374194684.db2.gz YQISBGBCXQMUHD-QFBILLFUSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@H]([NH2+]Cc1ccn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309748480 374194692 /nfs/dbraw/zinc/19/46/92/374194692.db2.gz YQISBGBCXQMUHD-QFBILLFUSA-N 1 3 297.446 3.025 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000182055525 374211435 /nfs/dbraw/zinc/21/14/35/374211435.db2.gz PUHJIUDCXUXTNG-WMZOPIPTSA-N 1 3 274.452 3.187 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000312011982 374265837 /nfs/dbraw/zinc/26/58/37/374265837.db2.gz WRLJFUCSVXFQQD-HZPDHXFCSA-N 1 3 264.457 3.421 20 0 CGADHO FC(F)(F)[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000088432619 541948192 /nfs/dbraw/zinc/94/81/92/541948192.db2.gz JKFHTCNALQSRMG-ZDUSSCGKSA-N 1 3 278.362 3.041 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093211404 541979390 /nfs/dbraw/zinc/97/93/90/541979390.db2.gz FQRZUWSWOYWOQZ-BYCMXARLSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211404 541979395 /nfs/dbraw/zinc/97/93/95/541979395.db2.gz FQRZUWSWOYWOQZ-BYCMXARLSA-N 1 3 266.816 3.131 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H](N(C)C)CC2)cc2cccnc12 ZINC000334559549 374857927 /nfs/dbraw/zinc/85/79/27/374857927.db2.gz XXNXDVRTUUYZJR-SFHVURJKSA-N 1 3 297.446 3.459 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H](N(C)C)CC2)cc2cccnc12 ZINC000334559549 374857934 /nfs/dbraw/zinc/85/79/34/374857934.db2.gz XXNXDVRTUUYZJR-SFHVURJKSA-N 1 3 297.446 3.459 20 0 CGADHO CCCc1cccc(CNC[C@H]2CCC[N@H+](C)C2)c1 ZINC000187226655 374989175 /nfs/dbraw/zinc/98/91/75/374989175.db2.gz KNFLQBLJBTZCFF-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCCc1cccc(CNC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000187226655 374989182 /nfs/dbraw/zinc/98/91/82/374989182.db2.gz KNFLQBLJBTZCFF-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCN(CC)CCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000472593158 375026987 /nfs/dbraw/zinc/02/69/87/375026987.db2.gz ZULQWWQYWAZTOG-PMPSAXMXSA-N 1 3 252.446 3.371 20 0 CGADHO CCN(CC)CCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000472593158 375026990 /nfs/dbraw/zinc/02/69/90/375026990.db2.gz ZULQWWQYWAZTOG-PMPSAXMXSA-N 1 3 252.446 3.371 20 0 CGADHO Cc1ccc2cc(CNC3CC[NH+](C4CC4)CC3)ccc2n1 ZINC000187639993 375062284 /nfs/dbraw/zinc/06/22/84/375062284.db2.gz HSHZQYUGSRJMFA-UHFFFAOYSA-N 1 3 295.430 3.260 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H]1CC1(C)C ZINC000487196691 375207343 /nfs/dbraw/zinc/20/73/43/375207343.db2.gz HJRFYCVDDNERNA-ZIAGYGMSSA-N 1 3 252.446 3.133 20 0 CGADHO Clc1cccc2c1CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000335571053 375331827 /nfs/dbraw/zinc/33/18/27/375331827.db2.gz YJDULFLOZXNNEX-HNNXBMFYSA-N 1 3 264.800 3.059 20 0 CGADHO Cc1cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc2cccnc12 ZINC000335756520 375403587 /nfs/dbraw/zinc/40/35/87/375403587.db2.gz QMOWHXJFHMNFSB-RHSMWYFYSA-N 1 3 283.419 3.102 20 0 CGADHO FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000495015296 375495569 /nfs/dbraw/zinc/49/55/69/375495569.db2.gz FYFAPZJBPQKHNS-RRFJBIMHSA-N 1 3 286.410 3.418 20 0 CGADHO COc1ccc(C)cc1CN1CCCC12CC[NH+](C)CC2 ZINC000336068467 375661038 /nfs/dbraw/zinc/66/10/38/375661038.db2.gz NZHYYNURJAMVET-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1ccc(C)cc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000336068467 375661045 /nfs/dbraw/zinc/66/10/45/375661045.db2.gz NZHYYNURJAMVET-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO COc1ccc(C)cc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000336068467 375661051 /nfs/dbraw/zinc/66/10/51/375661051.db2.gz NZHYYNURJAMVET-UHFFFAOYSA-N 1 3 288.435 3.064 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)CN1CCCCC1 ZINC000502242661 375642720 /nfs/dbraw/zinc/64/27/20/375642720.db2.gz RTPMEDMBCQSUMW-YYIAUSFCSA-N 1 3 264.457 3.277 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000192618635 375771920 /nfs/dbraw/zinc/77/19/20/375771920.db2.gz CEOQNUYQQWMXGY-SFHVURJKSA-N 1 3 287.451 3.399 20 0 CGADHO Cc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1Br ZINC000336699339 375909798 /nfs/dbraw/zinc/90/97/98/375909798.db2.gz JKEDXJVELSHQAP-LLVKDONJSA-N 1 3 299.256 3.045 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000336812608 375965269 /nfs/dbraw/zinc/96/52/69/375965269.db2.gz AQNREYIQIVJGBM-PBHICJAKSA-N 1 3 262.441 3.487 20 0 CGADHO CCc1ccc([C@H](CC)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000336812608 375965274 /nfs/dbraw/zinc/96/52/74/375965274.db2.gz AQNREYIQIVJGBM-PBHICJAKSA-N 1 3 262.441 3.487 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC2)c2ccccc21 ZINC000336812538 375965316 /nfs/dbraw/zinc/96/53/16/375965316.db2.gz RQINNUNVCQBIOV-YOEHRIQHSA-N 1 3 258.409 3.310 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000193733601 375916134 /nfs/dbraw/zinc/91/61/34/375916134.db2.gz MFPMYTZGJOGHQZ-CQSZACIVSA-N 1 3 278.827 3.222 20 0 CGADHO c1cc2c(cc1C[N@@H+]1CCC[C@H]3CCC[C@@H]31)CNCC2 ZINC000211879985 376134889 /nfs/dbraw/zinc/13/48/89/376134889.db2.gz AHARDSMJLLSFCR-AEFFLSMTSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc2c(cc1C[N@H+]1CCC[C@H]3CCC[C@@H]31)CNCC2 ZINC000211879985 376134896 /nfs/dbraw/zinc/13/48/96/376134896.db2.gz AHARDSMJLLSFCR-AEFFLSMTSA-N 1 3 270.420 3.097 20 0 CGADHO CC(C)OC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000337234007 376153414 /nfs/dbraw/zinc/15/34/14/376153414.db2.gz AHASDTRTITZVGQ-HNNXBMFYSA-N 1 3 282.472 3.044 20 0 CGADHO COc1ccc2cc(CN3C[C@@H](C[NH3+])C[C@H]3C)ccc2c1 ZINC000215977093 376153805 /nfs/dbraw/zinc/15/38/05/376153805.db2.gz DKIPQNIHRMVCEG-UKRRQHHQSA-N 1 3 284.403 3.018 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618594 376183081 /nfs/dbraw/zinc/18/30/81/376183081.db2.gz FGLBEXVFHJFSHC-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000537618594 376183088 /nfs/dbraw/zinc/18/30/88/376183088.db2.gz FGLBEXVFHJFSHC-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000539498545 376316089 /nfs/dbraw/zinc/31/60/89/376316089.db2.gz PZVWDOOYBZFCRJ-LSDHHAIUSA-N 1 3 296.499 3.479 20 0 CGADHO CCC1(CC)[C@H](OC)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000539498545 376316093 /nfs/dbraw/zinc/31/60/93/376316093.db2.gz PZVWDOOYBZFCRJ-LSDHHAIUSA-N 1 3 296.499 3.479 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]CC2=CCN(C)CC2)C(C)C)cc1 ZINC000539510339 376316172 /nfs/dbraw/zinc/31/61/72/376316172.db2.gz WULZAEPNZGPHKH-IBGZPJMESA-N 1 3 286.463 3.414 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000338299781 376322592 /nfs/dbraw/zinc/32/25/92/376322592.db2.gz ZQGLDAWHOUOEIW-IIDMSEBBSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cc2c(s1)CCCC2 ZINC000539066724 376290409 /nfs/dbraw/zinc/29/04/09/376290409.db2.gz QFUUOYKFWDCOOB-SWLSCSKDSA-N 1 3 278.465 3.057 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cc2c(s1)CCCC2 ZINC000539066724 376290416 /nfs/dbraw/zinc/29/04/16/376290416.db2.gz QFUUOYKFWDCOOB-SWLSCSKDSA-N 1 3 278.465 3.057 20 0 CGADHO CCN(C[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000226436697 376360574 /nfs/dbraw/zinc/36/05/74/376360574.db2.gz WEIAPWBSQPCNCQ-KBPBESRZSA-N 1 3 264.388 3.208 20 0 CGADHO COc1ccccc1CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000230287919 376500875 /nfs/dbraw/zinc/50/08/75/376500875.db2.gz RCTAZLUSWNOPTB-NVXWUHKLSA-N 1 3 290.451 3.138 20 0 CGADHO CO[C@H]1CCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000541908948 376492620 /nfs/dbraw/zinc/49/26/20/376492620.db2.gz WSMFRYRQLOQVAO-YJBOKZPZSA-N 1 3 294.483 3.188 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000542469125 376545199 /nfs/dbraw/zinc/54/51/99/376545199.db2.gz MKKYPJTURWYBMO-IXDOHACOSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000542469125 376545205 /nfs/dbraw/zinc/54/52/05/376545205.db2.gz MKKYPJTURWYBMO-IXDOHACOSA-N 1 3 266.473 3.476 20 0 CGADHO C[N@H+](CC1CCC1)[C@@H]1CCCN(CC2CCC2)CC1 ZINC000338939931 376586456 /nfs/dbraw/zinc/58/64/56/376586456.db2.gz HIMDQALGZLZLOR-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@@H+](CC1CCC1)[C@@H]1CCCN(CC2CCC2)CC1 ZINC000338939931 376586462 /nfs/dbraw/zinc/58/64/62/376586462.db2.gz HIMDQALGZLZLOR-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO CCC(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000232867135 376590526 /nfs/dbraw/zinc/59/05/26/376590526.db2.gz DLTJKJMPTFEPDJ-UHFFFAOYSA-N 1 3 261.413 3.076 20 0 CGADHO C[C@@H](NCCCC[NH3+])c1cc(Cl)sc1Cl ZINC000235208158 376634947 /nfs/dbraw/zinc/63/49/47/376634947.db2.gz BCVIUHPWDYMCFW-SSDOTTSWSA-N 1 3 267.225 3.444 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)CN1CCCC1 ZINC000235481532 376641785 /nfs/dbraw/zinc/64/17/85/376641785.db2.gz BWWWSSYJFVZFIV-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO CCC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000236642498 376676985 /nfs/dbraw/zinc/67/69/85/376676985.db2.gz BFPSCGHVLXCWEE-MRLCAUJQSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1cccc(C)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151268006 542101386 /nfs/dbraw/zinc/10/13/86/542101386.db2.gz VEXCZOMJOGRFAY-UHFFFAOYSA-N 1 3 281.403 3.021 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000544895524 376768592 /nfs/dbraw/zinc/76/85/92/376768592.db2.gz YOFKXYRSSMNGSP-JKSUJKDBSA-N 1 3 254.462 3.476 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000544895524 376768601 /nfs/dbraw/zinc/76/86/01/376768601.db2.gz YOFKXYRSSMNGSP-JKSUJKDBSA-N 1 3 254.462 3.476 20 0 CGADHO Cc1cccc(C)c1[C@@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000545518357 376828148 /nfs/dbraw/zinc/82/81/48/376828148.db2.gz IVJSQIBKARHDQC-HZPDHXFCSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@@H](C)NCC[C@H]1CCC[N@H+]1C ZINC000545518357 376828159 /nfs/dbraw/zinc/82/81/59/376828159.db2.gz IVJSQIBKARHDQC-HZPDHXFCSA-N 1 3 260.425 3.438 20 0 CGADHO Cc1cccc(C)c1[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000545518357 376828169 /nfs/dbraw/zinc/82/81/69/376828169.db2.gz IVJSQIBKARHDQC-HZPDHXFCSA-N 1 3 260.425 3.438 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245425020 376813361 /nfs/dbraw/zinc/81/33/61/376813361.db2.gz KJZFYMPRYZPMMZ-RDJZCZTQSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000245425020 376813363 /nfs/dbraw/zinc/81/33/63/376813363.db2.gz KJZFYMPRYZPMMZ-RDJZCZTQSA-N 1 3 260.425 3.157 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H]2CCC[C@@H]21 ZINC000556887601 376900820 /nfs/dbraw/zinc/90/08/20/376900820.db2.gz ZMDHSPUWNFTAHO-SQNIBIBYSA-N 1 3 298.430 3.438 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H]2CCC[C@@H]21 ZINC000556887601 376900830 /nfs/dbraw/zinc/90/08/30/376900830.db2.gz ZMDHSPUWNFTAHO-SQNIBIBYSA-N 1 3 298.430 3.438 20 0 CGADHO C[C@H](CCSc1ccccc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000245711703 376887243 /nfs/dbraw/zinc/88/72/43/376887243.db2.gz ZXPSNPIZDDXPAW-CVEARBPZSA-N 1 3 292.492 3.441 20 0 CGADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000556925553 376907108 /nfs/dbraw/zinc/90/71/08/376907108.db2.gz UWQKTUNOEWLWJO-SZMVWBNQSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000556925553 376907116 /nfs/dbraw/zinc/90/71/16/376907116.db2.gz UWQKTUNOEWLWJO-SZMVWBNQSA-N 1 3 290.451 3.227 20 0 CGADHO CC(C)[NH+](CCCN[C@@H](C)[C@]1(C)CCCO1)C(C)C ZINC000340517637 377115705 /nfs/dbraw/zinc/11/57/05/377115705.db2.gz FBOCRKBYGGDLCH-HOTGVXAUSA-N 1 3 270.461 3.043 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1Cl ZINC000246561692 377053668 /nfs/dbraw/zinc/05/36/68/377053668.db2.gz XEGXUMWIIHOYCX-YWPYICTPSA-N 1 3 296.842 3.167 20 0 CGADHO CC(C)n1cc([C@@H](C)NCCCCC[NH+]2CCCC2)cn1 ZINC000340474092 377085479 /nfs/dbraw/zinc/08/54/79/377085479.db2.gz OWNYXSIOZGYVGW-MRXNPFEDSA-N 1 3 292.471 3.381 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848882 377101794 /nfs/dbraw/zinc/10/17/94/377101794.db2.gz CNOHVCDNHUZSTR-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848882 377101802 /nfs/dbraw/zinc/10/18/02/377101802.db2.gz CNOHVCDNHUZSTR-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848882 377101807 /nfs/dbraw/zinc/10/18/07/377101807.db2.gz CNOHVCDNHUZSTR-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848858 377102925 /nfs/dbraw/zinc/10/29/25/377102925.db2.gz CNOHVCDNHUZSTR-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848858 377102935 /nfs/dbraw/zinc/10/29/35/377102935.db2.gz CNOHVCDNHUZSTR-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC)c2ccc(OC)cc2)C1 ZINC000246848858 377102945 /nfs/dbraw/zinc/10/29/45/377102945.db2.gz CNOHVCDNHUZSTR-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248064453 377263901 /nfs/dbraw/zinc/26/39/01/377263901.db2.gz MBCWPKOMHSPMTF-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000248064453 377263911 /nfs/dbraw/zinc/26/39/11/377263911.db2.gz MBCWPKOMHSPMTF-WBMJQRKESA-N 1 3 278.827 3.259 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000562020518 377265817 /nfs/dbraw/zinc/26/58/17/377265817.db2.gz XPGHDVOQWAHGGV-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO COc1cccc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248186818 377275891 /nfs/dbraw/zinc/27/58/91/377275891.db2.gz XNKAWFSMXIPZJR-QILLFSRXSA-N 1 3 288.435 3.172 20 0 CGADHO COc1cccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000248186818 377275897 /nfs/dbraw/zinc/27/58/97/377275897.db2.gz XNKAWFSMXIPZJR-QILLFSRXSA-N 1 3 288.435 3.172 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248176139 377276006 /nfs/dbraw/zinc/27/60/06/377276006.db2.gz VPZVTGCOAOBLQQ-JQHSSLGASA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248176139 377276012 /nfs/dbraw/zinc/27/60/12/377276012.db2.gz VPZVTGCOAOBLQQ-JQHSSLGASA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248176139 377276022 /nfs/dbraw/zinc/27/60/22/377276022.db2.gz VPZVTGCOAOBLQQ-JQHSSLGASA-N 1 3 272.436 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248176139 377276027 /nfs/dbraw/zinc/27/60/27/377276027.db2.gz VPZVTGCOAOBLQQ-JQHSSLGASA-N 1 3 272.436 3.472 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000562855878 377366571 /nfs/dbraw/zinc/36/65/71/377366571.db2.gz ZDERSQYBXBNDES-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)Oc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000341168240 377428590 /nfs/dbraw/zinc/42/85/90/377428590.db2.gz FSLLHYDTPYJFGD-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO COc1cc([C@@H](C)NCCCCC[NH+]2CCCC2)ccn1 ZINC000563419656 377461523 /nfs/dbraw/zinc/46/15/23/377461523.db2.gz ZHNRCYVQRWSSPW-OAHLLOKOSA-N 1 3 291.439 3.007 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC12CC2 ZINC000563444008 377467772 /nfs/dbraw/zinc/46/77/72/377467772.db2.gz XVIWVWMTWSJRGK-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249146853 377470526 /nfs/dbraw/zinc/47/05/26/377470526.db2.gz WZGPKHOLAGDISO-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(F)c1 ZINC000275901123 249066679 /nfs/dbraw/zinc/06/66/79/249066679.db2.gz SEWSFZJXGRZDOB-INIZCTEOSA-N 1 3 262.372 3.128 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1nc(C2CCCCC2)cs1 ZINC000422907965 249127254 /nfs/dbraw/zinc/12/72/54/249127254.db2.gz CLWZATZWUALZOR-STQMWFEESA-N 1 3 295.496 3.449 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000251154452 377574271 /nfs/dbraw/zinc/57/42/71/377574271.db2.gz IXYBPMTUZNBUKL-IKJBURDNSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251154452 377574280 /nfs/dbraw/zinc/57/42/80/377574280.db2.gz IXYBPMTUZNBUKL-IKJBURDNSA-N 1 3 284.447 3.457 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516759998 249243346 /nfs/dbraw/zinc/24/33/46/249243346.db2.gz ISLSGFPHEPGGTF-ACJLOTCBSA-N 1 3 281.403 3.137 20 0 CGADHO CC(C)[NH+]1CCC(NCCc2ccc3ccccc3n2)CC1 ZINC000341513910 377601861 /nfs/dbraw/zinc/60/18/61/377601861.db2.gz LVBRGGGNSBLQGY-UHFFFAOYSA-N 1 3 297.446 3.240 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000251931411 377605776 /nfs/dbraw/zinc/60/57/76/377605776.db2.gz VIDOGPMONQRURJ-QXSJWSMHSA-N 1 3 250.430 3.029 20 0 CGADHO CNCCC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000574333027 377650408 /nfs/dbraw/zinc/65/04/08/377650408.db2.gz ZKOXFTFWBUAPRI-KRWDZBQOSA-N 1 3 260.425 3.083 20 0 CGADHO CNCCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000574333027 377650411 /nfs/dbraw/zinc/65/04/11/377650411.db2.gz ZKOXFTFWBUAPRI-KRWDZBQOSA-N 1 3 260.425 3.083 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@@H](N)C2)c(C)c1 ZINC000574412866 377659715 /nfs/dbraw/zinc/65/97/15/377659715.db2.gz BXTXCRUJPBMQCP-HZPDHXFCSA-N 1 3 260.425 3.014 20 0 CGADHO Cc1cc(C)c(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000574412866 377659724 /nfs/dbraw/zinc/65/97/24/377659724.db2.gz BXTXCRUJPBMQCP-HZPDHXFCSA-N 1 3 260.425 3.014 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000574440873 377663237 /nfs/dbraw/zinc/66/32/37/377663237.db2.gz MZLAGCFUBWXYON-OAHLLOKOSA-N 1 3 276.424 3.180 20 0 CGADHO Cc1oc2ccccc2c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252870853 377666877 /nfs/dbraw/zinc/66/68/77/377666877.db2.gz SPBICJDPSXDMIG-RRQGHBQHSA-N 1 3 284.403 3.300 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354741 377684528 /nfs/dbraw/zinc/68/45/28/377684528.db2.gz IBHXBZCTPRWSIJ-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000253354741 377684536 /nfs/dbraw/zinc/68/45/36/377684536.db2.gz IBHXBZCTPRWSIJ-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC[C@H](C)c2ccccc2)C1 ZINC000253354741 377684547 /nfs/dbraw/zinc/68/45/47/377684547.db2.gz IBHXBZCTPRWSIJ-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@H](C)c2ccccc2)C1 ZINC000253354741 377684555 /nfs/dbraw/zinc/68/45/55/377684555.db2.gz IBHXBZCTPRWSIJ-DLBZAZTESA-N 1 3 274.452 3.454 20 0 CGADHO CC(C)[C@H](C[N@@H+]1C[C@H](CN)C[C@@H]1C)c1ccccc1 ZINC000564569778 322034412 /nfs/dbraw/zinc/03/44/12/322034412.db2.gz CLWLGGLEGPVZQK-ZOBUZTSGSA-N 1 3 260.425 3.095 20 0 CGADHO CC(C)[C@H](C[N@H+]1C[C@H](CN)C[C@@H]1C)c1ccccc1 ZINC000564569778 322034415 /nfs/dbraw/zinc/03/44/15/322034415.db2.gz CLWLGGLEGPVZQK-ZOBUZTSGSA-N 1 3 260.425 3.095 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC000574772058 377708316 /nfs/dbraw/zinc/70/83/16/377708316.db2.gz XITOJIPYPJJABG-CABCVRRESA-N 1 3 266.816 3.132 20 0 CGADHO C[C@@H](CC[N@@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000574812437 377712589 /nfs/dbraw/zinc/71/25/89/377712589.db2.gz DIALULPUDPJBOD-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCCNC2)c1ccccc1 ZINC000574812437 377712598 /nfs/dbraw/zinc/71/25/98/377712598.db2.gz DIALULPUDPJBOD-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO C[C@@H](CCN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000574812437 377712603 /nfs/dbraw/zinc/71/26/03/377712603.db2.gz DIALULPUDPJBOD-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000258996920 377802432 /nfs/dbraw/zinc/80/24/32/377802432.db2.gz MVZDNJSCAPWNTH-UONOGXRCSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261546345 377815562 /nfs/dbraw/zinc/81/55/62/377815562.db2.gz KWOCDNTZPKRSRK-CABCVRRESA-N 1 3 284.403 3.091 20 0 CGADHO CC(C)C1CCC(N(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261890439 377865476 /nfs/dbraw/zinc/86/54/76/377865476.db2.gz SYAOHALXWLCQFA-GPANFISMSA-N 1 3 252.446 3.133 20 0 CGADHO CCc1cccc(Cl)c1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000262014920 377879627 /nfs/dbraw/zinc/87/96/27/377879627.db2.gz VOTQQVPFJSDGNE-GFCCVEGCSA-N 1 3 280.843 3.462 20 0 CGADHO Cc1ccc(C[C@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000262097157 377886870 /nfs/dbraw/zinc/88/68/70/377886870.db2.gz VICGYWKGQYJYJQ-MSOLQXFVSA-N 1 3 272.436 3.002 20 0 CGADHO NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000261794817 377854802 /nfs/dbraw/zinc/85/48/02/377854802.db2.gz QKAFEBAKYFHXKE-MSOLQXFVSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1c1ccccc1 ZINC000261794817 377854807 /nfs/dbraw/zinc/85/48/07/377854807.db2.gz QKAFEBAKYFHXKE-MSOLQXFVSA-N 1 3 272.436 3.241 20 0 CGADHO CC(C)C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccccn1 ZINC000578627957 378085619 /nfs/dbraw/zinc/08/56/19/378085619.db2.gz SYZNEBDNPCKGSJ-GOSISDBHSA-N 1 3 283.419 3.417 20 0 CGADHO CC[C@H](NCCC[N@H+](C)CCOC)c1cccc(Cl)c1 ZINC000343915330 378132708 /nfs/dbraw/zinc/13/27/08/378132708.db2.gz NZWOJYSYNXKXEZ-INIZCTEOSA-N 1 3 298.858 3.349 20 0 CGADHO CC[C@H](NCCC[N@@H+](C)CCOC)c1cccc(Cl)c1 ZINC000343915330 378132711 /nfs/dbraw/zinc/13/27/11/378132711.db2.gz NZWOJYSYNXKXEZ-INIZCTEOSA-N 1 3 298.858 3.349 20 0 CGADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)CN1CCCC1 ZINC000268872764 378137862 /nfs/dbraw/zinc/13/78/62/378137862.db2.gz PNHKPQNTJBTFEE-YOEHRIQHSA-N 1 3 288.435 3.004 20 0 CGADHO CCCC[N@H+](C)C[C@H](C)N[C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011550 378151973 /nfs/dbraw/zinc/15/19/73/378151973.db2.gz DSVMXJQVZRRLNH-CVEARBPZSA-N 1 3 294.487 3.105 20 0 CGADHO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)Cc1ccn(C(C)C)n1 ZINC000344011550 378151979 /nfs/dbraw/zinc/15/19/79/378151979.db2.gz DSVMXJQVZRRLNH-CVEARBPZSA-N 1 3 294.487 3.105 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000345182372 378216171 /nfs/dbraw/zinc/21/61/71/378216171.db2.gz VWYZGKVXIXDCEV-CVEARBPZSA-N 1 3 290.451 3.186 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345182372 378216174 /nfs/dbraw/zinc/21/61/74/378216174.db2.gz VWYZGKVXIXDCEV-CVEARBPZSA-N 1 3 290.451 3.186 20 0 CGADHO CC[NH2+]CCCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000579461641 378162597 /nfs/dbraw/zinc/16/25/97/378162597.db2.gz LPHXABDLJPKWCD-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO C[C@H](C[NH2+]CCCN1CCCC1)c1ccc(F)cc1 ZINC000345362163 378268412 /nfs/dbraw/zinc/26/84/12/378268412.db2.gz BZAOXRKLFNIXIX-CQSZACIVSA-N 1 3 264.388 3.005 20 0 CGADHO C[C@H](CNCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000345362163 378268420 /nfs/dbraw/zinc/26/84/20/378268420.db2.gz BZAOXRKLFNIXIX-CQSZACIVSA-N 1 3 264.388 3.005 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000583257493 378315581 /nfs/dbraw/zinc/31/55/81/378315581.db2.gz QFESTCXMWCCLFD-RTBURBONSA-N 1 3 295.430 3.498 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000271175550 378470978 /nfs/dbraw/zinc/47/09/78/378470978.db2.gz FTZFMBDZFKFALK-CJNGLKHVSA-N 1 3 271.408 3.082 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3cc[nH]c32)CC[N@H+]1C ZINC000271175550 378470983 /nfs/dbraw/zinc/47/09/83/378470983.db2.gz FTZFMBDZFKFALK-CJNGLKHVSA-N 1 3 271.408 3.082 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc2ccccc2n1 ZINC000271810888 378506419 /nfs/dbraw/zinc/50/64/19/378506419.db2.gz ARAPJONZEXCLBJ-AWEZNQCLSA-N 1 3 281.403 3.147 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc2ccccc2n1 ZINC000271810888 378506425 /nfs/dbraw/zinc/50/64/25/378506425.db2.gz ARAPJONZEXCLBJ-AWEZNQCLSA-N 1 3 281.403 3.147 20 0 CGADHO C[C@@H](NCc1cc[nH]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134338 378569938 /nfs/dbraw/zinc/56/99/38/378569938.db2.gz AAXHNMYZLOSNDT-QAPCUYQASA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H](NCc1cc[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134338 378569945 /nfs/dbraw/zinc/56/99/45/378569945.db2.gz AAXHNMYZLOSNDT-QAPCUYQASA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]([NH2+]Cc1cc[nH]c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272134338 378569948 /nfs/dbraw/zinc/56/99/48/378569948.db2.gz AAXHNMYZLOSNDT-QAPCUYQASA-N 1 3 283.419 3.015 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346574055 378630195 /nfs/dbraw/zinc/63/01/95/378630195.db2.gz ZFUUVXJOGMHWFQ-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CN(Cc1cccc2ncccc12)C[C@H]1CCC[N@H+](C)C1 ZINC000637928665 378635426 /nfs/dbraw/zinc/63/54/26/378635426.db2.gz CPTYOGDPTXLOAA-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO CN(Cc1cccc2ncccc12)C[C@H]1CCC[N@@H+](C)C1 ZINC000637928665 378635430 /nfs/dbraw/zinc/63/54/30/378635430.db2.gz CPTYOGDPTXLOAA-HNNXBMFYSA-N 1 3 283.419 3.008 20 0 CGADHO Cc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667850 378668953 /nfs/dbraw/zinc/66/89/53/378668953.db2.gz ZEIRGFXZKTZPIC-GXTWGEPZSA-N 1 3 298.377 3.074 20 0 CGADHO CSC1(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000347840882 378726959 /nfs/dbraw/zinc/72/69/59/378726959.db2.gz FIXQTDLGOTYVIU-INIZCTEOSA-N 1 3 296.524 3.326 20 0 CGADHO CSC1(C[N@@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CC1 ZINC000347840882 378726965 /nfs/dbraw/zinc/72/69/65/378726965.db2.gz FIXQTDLGOTYVIU-INIZCTEOSA-N 1 3 296.524 3.326 20 0 CGADHO CSC1(C[N@H+]2CCC[C@@H](CN3CCC(C)CC3)C2)CC1 ZINC000347840882 378726967 /nfs/dbraw/zinc/72/69/67/378726967.db2.gz FIXQTDLGOTYVIU-INIZCTEOSA-N 1 3 296.524 3.326 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000348099281 378792268 /nfs/dbraw/zinc/79/22/68/378792268.db2.gz BAZULKAZVAHHQE-TUVASFSCSA-N 1 3 250.430 3.028 20 0 CGADHO CCCC[NH+]1CCC(NC[C@@H](OC)C2CCCC2)CC1 ZINC000638430334 378801308 /nfs/dbraw/zinc/80/13/08/378801308.db2.gz OXEDLHKHVVOOAR-QGZVFWFLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc(OCCN(C)C)c1 ZINC000348315837 378903412 /nfs/dbraw/zinc/90/34/12/378903412.db2.gz IGJTUMPZSIDZBI-BPUTZDHNSA-N 1 3 294.414 3.168 20 0 CGADHO CCCN(CCc1cccc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000346986963 218079472 /nfs/dbraw/zinc/07/94/72/218079472.db2.gz QDMJDDRIVPKHOV-INIZCTEOSA-N 1 3 278.415 3.080 20 0 CGADHO CCC[N@H+](CCc1cccc(F)c1)C[C@H]1CCCNC1 ZINC000346986963 218079474 /nfs/dbraw/zinc/07/94/74/218079474.db2.gz QDMJDDRIVPKHOV-INIZCTEOSA-N 1 3 278.415 3.080 20 0 CGADHO CCC[N@@H+](CCc1cccc(F)c1)C[C@H]1CCCNC1 ZINC000346986963 218079476 /nfs/dbraw/zinc/07/94/76/218079476.db2.gz QDMJDDRIVPKHOV-INIZCTEOSA-N 1 3 278.415 3.080 20 0 CGADHO CCC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)OC ZINC000638968498 378960897 /nfs/dbraw/zinc/96/08/97/378960897.db2.gz AXEXMBOZDQBPLX-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638968498 378960902 /nfs/dbraw/zinc/96/09/02/378960902.db2.gz AXEXMBOZDQBPLX-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CCC[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638968498 378960906 /nfs/dbraw/zinc/96/09/06/378960906.db2.gz AXEXMBOZDQBPLX-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000638971932 378962833 /nfs/dbraw/zinc/96/28/33/378962833.db2.gz RTTHSUFWBFLLRY-KBXIAJHMSA-N 1 3 282.497 3.123 20 0 CGADHO [NH3+]C[C@H]1CCN(Cc2cc(-c3ccccc3)cs2)C1 ZINC000347098916 218121627 /nfs/dbraw/zinc/12/16/27/218121627.db2.gz IXJAZVOLRNLDQA-CYBMUJFWSA-N 1 3 272.417 3.196 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCOC1CCC1 ZINC000347185299 218148838 /nfs/dbraw/zinc/14/88/38/218148838.db2.gz CKCMFZMXGKGXGN-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000347185299 218148840 /nfs/dbraw/zinc/14/88/40/218148840.db2.gz CKCMFZMXGKGXGN-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000639169583 379089242 /nfs/dbraw/zinc/08/92/42/379089242.db2.gz GALSOBNURDNFEI-SJORKVTESA-N 1 3 286.463 3.111 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000278330617 379350153 /nfs/dbraw/zinc/35/01/53/379350153.db2.gz DLZPSVHCOJOLHO-MRXNPFEDSA-N 1 3 272.436 3.338 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC000278330617 379350161 /nfs/dbraw/zinc/35/01/61/379350161.db2.gz DLZPSVHCOJOLHO-MRXNPFEDSA-N 1 3 272.436 3.338 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000639390466 379355194 /nfs/dbraw/zinc/35/51/94/379355194.db2.gz YURPIJCJGKEVJB-AWEZNQCLSA-N 1 3 273.424 3.219 20 0 CGADHO C([C@H]1CCSC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000375749184 379508048 /nfs/dbraw/zinc/50/80/48/379508048.db2.gz MXXGDJKSAYKQGC-DLBZAZTESA-N 1 3 296.524 3.328 20 0 CGADHO CN1CC=C(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000377549579 379694999 /nfs/dbraw/zinc/69/49/99/379694999.db2.gz LRQNJBYREARZQP-UHFFFAOYSA-N 1 3 292.373 3.062 20 0 CGADHO C[C@@H](C[N@@H+]1CCCC[C@H]1CCN)c1ccc(F)cc1 ZINC000352527337 379844809 /nfs/dbraw/zinc/84/48/09/379844809.db2.gz ZBNKTMDHKOAMOU-BBRMVZONSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@@H](C[N@H+]1CCCC[C@H]1CCN)c1ccc(F)cc1 ZINC000352527337 379844813 /nfs/dbraw/zinc/84/48/13/379844813.db2.gz ZBNKTMDHKOAMOU-BBRMVZONSA-N 1 3 264.388 3.133 20 0 CGADHO C[C@@H](CN1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000352527337 379844815 /nfs/dbraw/zinc/84/48/15/379844815.db2.gz ZBNKTMDHKOAMOU-BBRMVZONSA-N 1 3 264.388 3.133 20 0 CGADHO CN(C)CCOC1CC[NH+](CCCC2CCCCC2)CC1 ZINC000347779312 218354573 /nfs/dbraw/zinc/35/45/73/218354573.db2.gz NSRJIIPYDYZPNM-UHFFFAOYSA-N 1 3 296.499 3.390 20 0 CGADHO C[C@@H]1CN(Cc2csc3ccccc23)C[C@@]1(C)C[NH3+] ZINC000388555835 379887697 /nfs/dbraw/zinc/88/76/97/379887697.db2.gz XZGAVUAIPCXAJZ-MLGOLLRUSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@@]1(C)CN ZINC000388555835 379887702 /nfs/dbraw/zinc/88/77/02/379887702.db2.gz XZGAVUAIPCXAJZ-MLGOLLRUSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@]1(C)CN ZINC000388555835 379887707 /nfs/dbraw/zinc/88/77/07/379887707.db2.gz XZGAVUAIPCXAJZ-MLGOLLRUSA-N 1 3 274.433 3.318 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCN2CCC[C@H]2C1)CC(F)(F)F ZINC000402536628 379967457 /nfs/dbraw/zinc/96/74/57/379967457.db2.gz YHXOSPPTYWPIRC-AVGNSLFASA-N 1 3 278.362 3.181 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352751419 379938964 /nfs/dbraw/zinc/93/89/64/379938964.db2.gz VJRXBTVXUUONSV-HOTGVXAUSA-N 1 3 272.392 3.395 20 0 CGADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2CC2)C1 ZINC000409446018 380033764 /nfs/dbraw/zinc/03/37/64/380033764.db2.gz AWZCKYLSKAQCNW-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC2CC2)C1 ZINC000409446018 380033770 /nfs/dbraw/zinc/03/37/70/380033770.db2.gz AWZCKYLSKAQCNW-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446018 380033773 /nfs/dbraw/zinc/03/37/73/380033773.db2.gz AWZCKYLSKAQCNW-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446018 380033779 /nfs/dbraw/zinc/03/37/79/380033779.db2.gz AWZCKYLSKAQCNW-RDJZCZTQSA-N 1 3 264.457 3.373 20 0 CGADHO CSc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000353152275 380142424 /nfs/dbraw/zinc/14/24/24/380142424.db2.gz IGLMSTRTMNQNDW-XYPWUTKMSA-N 1 3 290.476 3.466 20 0 CGADHO CSc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000353152275 380142429 /nfs/dbraw/zinc/14/24/29/380142429.db2.gz IGLMSTRTMNQNDW-XYPWUTKMSA-N 1 3 290.476 3.466 20 0 CGADHO Cc1occc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000414288381 380207653 /nfs/dbraw/zinc/20/76/53/380207653.db2.gz PVBSJDHEGPYJEA-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1occc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000414288381 380207661 /nfs/dbraw/zinc/20/76/61/380207661.db2.gz PVBSJDHEGPYJEA-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1ccccc1C[C@@H](NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643502414 380326646 /nfs/dbraw/zinc/32/66/46/380326646.db2.gz FQUWQQGYDIVECP-QZTJIDSGSA-N 1 3 272.436 3.048 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H]1CCC[NH2+]CC1 ZINC000643522096 380337256 /nfs/dbraw/zinc/33/72/56/380337256.db2.gz HTHDMYDBRZSBPF-HIFRSBDPSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCCNCC1 ZINC000643522096 380337259 /nfs/dbraw/zinc/33/72/59/380337259.db2.gz HTHDMYDBRZSBPF-HIFRSBDPSA-N 1 3 272.392 3.096 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000643518441 380335366 /nfs/dbraw/zinc/33/53/66/380335366.db2.gz HOZATGWWETUGJK-ZFWWWQNUSA-N 1 3 266.454 3.049 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CCC1 ZINC000643517990 380335884 /nfs/dbraw/zinc/33/58/84/380335884.db2.gz LRBDJLBSQNBTAL-OAHLLOKOSA-N 1 3 269.392 3.016 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H](N)C1CC1 ZINC000643516640 380336235 /nfs/dbraw/zinc/33/62/35/380336235.db2.gz DKHQCZUUUFOWSP-DOTOQJQBSA-N 1 3 283.419 3.181 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)c1ccncc1 ZINC000643460290 380312220 /nfs/dbraw/zinc/31/22/20/380312220.db2.gz MWDZCUUZZFKZJD-UXLLHSPISA-N 1 3 275.440 3.086 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000643547925 380363850 /nfs/dbraw/zinc/36/38/50/380363850.db2.gz KYGDAQSYRWZZJI-CABCVRRESA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]C3(CCC3)C1)[C@H](C)C2 ZINC000643548543 380365763 /nfs/dbraw/zinc/36/57/63/380365763.db2.gz QOWJHKSHBZYEQZ-QGPMSJSTSA-N 1 3 284.447 3.493 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)[C@H](C)C2 ZINC000643548543 380365769 /nfs/dbraw/zinc/36/57/69/380365769.db2.gz QOWJHKSHBZYEQZ-QGPMSJSTSA-N 1 3 284.447 3.493 20 0 CGADHO CCN1CC[C@H]([N@H+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221593 380367879 /nfs/dbraw/zinc/36/78/79/380367879.db2.gz HLEZUBNKZSXNBW-ZBFHGGJFSA-N 1 3 294.414 3.009 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)CCOc2cccc(F)c2)C[C@H]1C ZINC000354221593 380367884 /nfs/dbraw/zinc/36/78/84/380367884.db2.gz HLEZUBNKZSXNBW-ZBFHGGJFSA-N 1 3 294.414 3.009 20 0 CGADHO CCSc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000414679444 380368797 /nfs/dbraw/zinc/36/87/97/380368797.db2.gz ZWGLVCQILXQPGS-BHYGNILZSA-N 1 3 290.476 3.358 20 0 CGADHO Cc1csc(C2(NC[C@H]3CC[NH2+][C@H](C)C3)CCCC2)n1 ZINC000414716971 380385680 /nfs/dbraw/zinc/38/56/80/380385680.db2.gz YONHEZYQPLJAAQ-OCCSQVGLSA-N 1 3 293.480 3.199 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCCNCC2)C(C)C)cc1 ZINC000643523247 380339092 /nfs/dbraw/zinc/33/90/92/380339092.db2.gz YLVJFWFTHATPLO-MSOLQXFVSA-N 1 3 274.452 3.294 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)CCN1 ZINC000643525753 380340932 /nfs/dbraw/zinc/34/09/32/380340932.db2.gz AQZKSDFDRCHBMW-KBRIMQKVSA-N 1 3 258.409 3.258 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000643527601 380342412 /nfs/dbraw/zinc/34/24/12/380342412.db2.gz PACZGRQSZAHXJU-BPNCWPANSA-N 1 3 286.341 3.278 20 0 CGADHO C[C@@H]([NH3+])CN[C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000643527824 380343090 /nfs/dbraw/zinc/34/30/90/380343090.db2.gz TYYWCCOUSZWBIY-CHWSQXEVSA-N 1 3 273.424 3.161 20 0 CGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](C)N ZINC000643528315 380344392 /nfs/dbraw/zinc/34/43/92/380344392.db2.gz GYOMUJSUJDYYQX-VHSXEESVSA-N 1 3 293.411 3.255 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1nccc2ccccc21 ZINC000643536293 380352453 /nfs/dbraw/zinc/35/24/53/380352453.db2.gz PZVWQAMIKQTDGD-XJKSGUPXSA-N 1 3 281.403 3.028 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546125 380359464 /nfs/dbraw/zinc/35/94/64/380359464.db2.gz IUXFULBNWWUSMW-PMPSAXMXSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414815018 380426714 /nfs/dbraw/zinc/42/67/14/380426714.db2.gz ZTLJOOWDBKKXDW-KMFMINBZSA-N 1 3 278.415 3.254 20 0 CGADHO Clc1cccc(CNCC[C@H]2CC[NH2+]C2)c1Cl ZINC000414838212 380445746 /nfs/dbraw/zinc/44/57/46/380445746.db2.gz VDWRYDIOFLWTGF-SNVBAGLBSA-N 1 3 273.207 3.083 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414856436 380458222 /nfs/dbraw/zinc/45/82/22/380458222.db2.gz ADGDTUOIMZVMPA-UKRRQHHQSA-N 1 3 266.816 3.175 20 0 CGADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414856436 380458227 /nfs/dbraw/zinc/45/82/27/380458227.db2.gz ADGDTUOIMZVMPA-UKRRQHHQSA-N 1 3 266.816 3.175 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](N)C(C)C ZINC000414793560 380408609 /nfs/dbraw/zinc/40/86/09/380408609.db2.gz KOSMAZTXIHOVNH-CYBMUJFWSA-N 1 3 274.330 3.087 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc2ccccc2o1 ZINC000414798046 380411000 /nfs/dbraw/zinc/41/10/00/380411000.db2.gz IYWHWEIZCHPRDY-ZFWWWQNUSA-N 1 3 258.365 3.040 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C2CC2)cc1 ZINC000414800854 380413139 /nfs/dbraw/zinc/41/31/39/380413139.db2.gz LMOWTDUELNJRDD-SJORKVTESA-N 1 3 258.409 3.171 20 0 CGADHO CC(C)[C@H]([NH3+])CNC[C@H](C)c1cccc(Cl)c1 ZINC000414801818 380414625 /nfs/dbraw/zinc/41/46/25/380414625.db2.gz UVQKTAXBMQDBOG-SMDDNHRTSA-N 1 3 254.805 3.016 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414811065 380422284 /nfs/dbraw/zinc/42/22/84/380422284.db2.gz WAIRPLLCTMUNMB-IJLUTSLNSA-N 1 3 266.351 3.215 20 0 CGADHO Cc1nc2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2s1 ZINC000414811441 380422637 /nfs/dbraw/zinc/42/26/37/380422637.db2.gz WHDGWTJGAQVEDM-KBPBESRZSA-N 1 3 289.448 3.212 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414910323 380486134 /nfs/dbraw/zinc/48/61/34/380486134.db2.gz UUNCLHWPEDGADA-KURKYZTESA-N 1 3 272.436 3.229 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000414907956 380486513 /nfs/dbraw/zinc/48/65/13/380486513.db2.gz CDCSYTCXFIRJBQ-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414918949 380489942 /nfs/dbraw/zinc/48/99/42/380489942.db2.gz VPKZFQPVBQNTQX-RHSMWYFYSA-N 1 3 278.415 3.126 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000414926255 380491503 /nfs/dbraw/zinc/49/15/03/380491503.db2.gz NDFOIICMQOMILC-QZWWFDLISA-N 1 3 258.409 3.182 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cc3ccccc3s2)C1 ZINC000414925206 380492260 /nfs/dbraw/zinc/49/22/60/380492260.db2.gz LNBGHWGUWSKFER-CHWSQXEVSA-N 1 3 260.406 3.261 20 0 CGADHO C[C@@H](C[NH2+]C1(C)CCNCC1)CC1CCCCC1 ZINC000414939851 380497387 /nfs/dbraw/zinc/49/73/87/380497387.db2.gz JXHPGBORPGNDNK-CQSZACIVSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414947945 380502230 /nfs/dbraw/zinc/50/22/30/380502230.db2.gz LOVIKGLWUPXNPY-QJPTWQEYSA-N 1 3 286.872 3.453 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947945 380502235 /nfs/dbraw/zinc/50/22/35/380502235.db2.gz LOVIKGLWUPXNPY-QJPTWQEYSA-N 1 3 286.872 3.453 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414987595 380503993 /nfs/dbraw/zinc/50/39/93/380503993.db2.gz KNMHPJCCPXOCIP-RYQLBKOJSA-N 1 3 290.451 3.437 20 0 CGADHO C[C@@H](CN)C[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414880857 380472108 /nfs/dbraw/zinc/47/21/08/380472108.db2.gz RFJFOVOFVODKQS-KRWDZBQOSA-N 1 3 296.458 3.272 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414880413 380472263 /nfs/dbraw/zinc/47/22/63/380472263.db2.gz QQFRLCOISAGVMT-QMMMGPOBSA-N 1 3 280.721 3.043 20 0 CGADHO Cc1cc(CN[C@@H](C)CC[NH3+])ccc1Oc1cccnc1 ZINC000414879363 380472783 /nfs/dbraw/zinc/47/27/83/380472783.db2.gz ILVBDGFFPNBRGL-AWEZNQCLSA-N 1 3 285.391 3.009 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NC[C@H]([NH3+])C1CC1 ZINC000414895488 380478526 /nfs/dbraw/zinc/47/85/26/380478526.db2.gz XQDGFIDEMPQWNH-SKDRFNHKSA-N 1 3 272.845 3.050 20 0 CGADHO C[C@@]1(C[NH2+]CCCCCOc2ccccc2)CCCNC1 ZINC000414902300 380481768 /nfs/dbraw/zinc/48/17/68/380481768.db2.gz HEBYCGDIHKTYEW-SFHVURJKSA-N 1 3 290.451 3.215 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414901572 380482286 /nfs/dbraw/zinc/48/22/86/380482286.db2.gz GFCYMYNYTSQZGG-WMLDXEAASA-N 1 3 278.415 3.126 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318917 380873936 /nfs/dbraw/zinc/87/39/36/380873936.db2.gz IZDZXHAYTIUGRJ-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@@H]21 ZINC000421318917 380873952 /nfs/dbraw/zinc/87/39/52/380873952.db2.gz IZDZXHAYTIUGRJ-OALUTQOASA-N 1 3 284.447 3.480 20 0 CGADHO Fc1ccc(Cl)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333390 380852554 /nfs/dbraw/zinc/85/25/54/380852554.db2.gz SSZKSGQWRDTVGW-QWHCGFSZSA-N 1 3 296.817 3.301 20 0 CGADHO Cc1ccc(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405053 380852664 /nfs/dbraw/zinc/85/26/64/380852664.db2.gz SOKRFWOBCPXKIB-QZTJIDSGSA-N 1 3 272.436 3.002 20 0 CGADHO COc1ccc(CNC2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000421379865 380921218 /nfs/dbraw/zinc/92/12/18/380921218.db2.gz XOKCZHUBFGNLAE-UHFFFAOYSA-N 1 3 296.842 3.311 20 0 CGADHO CC[C@@H](NCCC[N@H+](C)CCOC)c1ccc(Cl)cc1 ZINC000360044623 381423798 /nfs/dbraw/zinc/42/37/98/381423798.db2.gz GNRVTHPQYSPHCA-MRXNPFEDSA-N 1 3 298.858 3.349 20 0 CGADHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc(Cl)cc1 ZINC000360044623 381423801 /nfs/dbraw/zinc/42/38/01/381423801.db2.gz GNRVTHPQYSPHCA-MRXNPFEDSA-N 1 3 298.858 3.349 20 0 CGADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366485000 382311200 /nfs/dbraw/zinc/31/12/00/382311200.db2.gz UXLFEBDCYSNAHO-OAHLLOKOSA-N 1 3 298.352 3.233 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000366485000 382311207 /nfs/dbraw/zinc/31/12/07/382311207.db2.gz UXLFEBDCYSNAHO-OAHLLOKOSA-N 1 3 298.352 3.233 20 0 CGADHO CN(CCC1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000042489354 184554110 /nfs/dbraw/zinc/55/41/10/184554110.db2.gz RSRUVLBGEDFKCX-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO CCc1ccccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250272506 542342576 /nfs/dbraw/zinc/34/25/76/542342576.db2.gz SDJGVTHCICPYLD-ZWKOTPCHSA-N 1 3 272.436 3.213 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424371698 533000743 /nfs/dbraw/zinc/00/07/43/533000743.db2.gz GEQNVBFDJLMXNL-KCPJHIHWSA-N 1 3 264.438 3.329 20 0 CGADHO CO[C@H](C)CN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411726597 533080529 /nfs/dbraw/zinc/08/05/29/533080529.db2.gz PUGGNCVIDZTTKK-MRXNPFEDSA-N 1 3 290.451 3.139 20 0 CGADHO C[C@H]1C[C@H]1c1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000350225332 219000793 /nfs/dbraw/zinc/00/07/93/219000793.db2.gz XQVJJJYHCYVPKQ-XJKSGUPXSA-N 1 3 276.424 3.177 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000289300040 197289003 /nfs/dbraw/zinc/28/90/03/197289003.db2.gz RYOQBIOMNFVGKM-VBQJREDUSA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H]2C[C@H](C)c3ccccc32)C1 ZINC000289300040 197289004 /nfs/dbraw/zinc/28/90/04/197289004.db2.gz RYOQBIOMNFVGKM-VBQJREDUSA-N 1 3 258.409 3.166 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H]2C[C@H](C)c3ccccc32)C1 ZINC000289300040 197289006 /nfs/dbraw/zinc/28/90/06/197289006.db2.gz RYOQBIOMNFVGKM-VBQJREDUSA-N 1 3 258.409 3.166 20 0 CGADHO Cc1ccncc1CCC[NH2+]C[C@H](C)CN1CCCCC1 ZINC000289284407 197283754 /nfs/dbraw/zinc/28/37/54/197283754.db2.gz OZBAJYZTZROCEC-INIZCTEOSA-N 1 3 289.467 3.034 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000353822060 220351031 /nfs/dbraw/zinc/35/10/31/220351031.db2.gz UDMVZIZETSJKSF-KEYYUXOJSA-N 1 3 276.424 3.076 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068416 542486082 /nfs/dbraw/zinc/48/60/82/542486082.db2.gz PJPJBJRBCURSBE-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068416 542486083 /nfs/dbraw/zinc/48/60/83/542486083.db2.gz PJPJBJRBCURSBE-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO CC(C)=CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188445720 262297049 /nfs/dbraw/zinc/29/70/49/262297049.db2.gz SKMBBKAINPAFER-HNNXBMFYSA-N 1 3 276.424 3.244 20 0 CGADHO CC(C)=CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000188445720 262297051 /nfs/dbraw/zinc/29/70/51/262297051.db2.gz SKMBBKAINPAFER-HNNXBMFYSA-N 1 3 276.424 3.244 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)ccc2c1 ZINC000423437104 533336896 /nfs/dbraw/zinc/33/68/96/533336896.db2.gz FYFZNEBWJWJZKW-AGIUHOORSA-N 1 3 272.392 3.235 20 0 CGADHO C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc2c(c1)OCO2 ZINC000423294710 533449011 /nfs/dbraw/zinc/44/90/11/533449011.db2.gz UYZGBEMQNOEUSE-QWHCGFSZSA-N 1 3 298.386 3.286 20 0 CGADHO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423339593 533424670 /nfs/dbraw/zinc/42/46/70/533424670.db2.gz VKXLIEOHTGYZRG-WBMJQRKESA-N 1 3 278.465 3.277 20 0 CGADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)c1cc2c(s1)CCC2 ZINC000423339593 533424673 /nfs/dbraw/zinc/42/46/73/533424673.db2.gz VKXLIEOHTGYZRG-WBMJQRKESA-N 1 3 278.465 3.277 20 0 CGADHO CO[C@@H]1CC[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365001537 533439464 /nfs/dbraw/zinc/43/94/64/533439464.db2.gz MYPLUORZGVIJKP-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000365001537 533439465 /nfs/dbraw/zinc/43/94/65/533439465.db2.gz MYPLUORZGVIJKP-DZJNRPSUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@]2(C)CCCO2)CC1 ZINC000358835870 533606417 /nfs/dbraw/zinc/60/64/17/533606417.db2.gz VTGUGHUPKKKHEB-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000358835870 533606422 /nfs/dbraw/zinc/60/64/22/533606422.db2.gz VTGUGHUPKKKHEB-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO CCc1oc2ccccc2c1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414931485 542641196 /nfs/dbraw/zinc/64/11/96/542641196.db2.gz UQYYVIKYJIVQFQ-STQMWFEESA-N 1 3 272.392 3.355 20 0 CGADHO CO[C@H](CNC1CC[NH+](C2CCCC2)CC1)CC(C)C ZINC000417365372 542644804 /nfs/dbraw/zinc/64/48/04/542644804.db2.gz MSGPUFFILXVYDO-KRWDZBQOSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)CC(C)C ZINC000417365372 542644809 /nfs/dbraw/zinc/64/48/09/542644809.db2.gz MSGPUFFILXVYDO-KRWDZBQOSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)C1CCCC1 ZINC000054077747 392088221 /nfs/dbraw/zinc/08/82/21/392088221.db2.gz IIDDUJGPXHPEMQ-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061329112 392127576 /nfs/dbraw/zinc/12/75/76/392127576.db2.gz LEGGIUXQRSYDTC-TZMCWYRMSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000061329112 392127583 /nfs/dbraw/zinc/12/75/83/392127583.db2.gz LEGGIUXQRSYDTC-TZMCWYRMSA-N 1 3 264.438 3.057 20 0 CGADHO Cc1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000237495635 131036486 /nfs/dbraw/zinc/03/64/86/131036486.db2.gz GVSXWOVEYGINCU-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO Cc1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000237495635 131036488 /nfs/dbraw/zinc/03/64/88/131036488.db2.gz GVSXWOVEYGINCU-AWEZNQCLSA-N 1 3 264.413 3.190 20 0 CGADHO CCCC[C@@H](CC)CC[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441351470 542664888 /nfs/dbraw/zinc/66/48/88/542664888.db2.gz JCKNEMDHYHIZPP-QGZVFWFLSA-N 1 3 297.531 3.209 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000111380492 392380211 /nfs/dbraw/zinc/38/02/11/392380211.db2.gz GEQLCXCEONAMEX-CQSZACIVSA-N 1 3 286.341 3.409 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000423527376 285492607 /nfs/dbraw/zinc/49/26/07/285492607.db2.gz METCXQWHGOKPBS-QZTJIDSGSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000156150455 392546210 /nfs/dbraw/zinc/54/62/10/392546210.db2.gz KKBAOVDVSGDLKW-HZUKXOBISA-N 1 3 278.827 3.400 20 0 CGADHO C[C@H]1C[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000156150455 392546215 /nfs/dbraw/zinc/54/62/15/392546215.db2.gz KKBAOVDVSGDLKW-HZUKXOBISA-N 1 3 278.827 3.400 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000647288712 392639520 /nfs/dbraw/zinc/63/95/20/392639520.db2.gz LTDRHQPSTKUDDP-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000647288712 392639524 /nfs/dbraw/zinc/63/95/24/392639524.db2.gz LTDRHQPSTKUDDP-DOTOQJQBSA-N 1 3 275.440 3.100 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CC(C)(C)c2ccccc2)C1 ZINC000647496572 392740848 /nfs/dbraw/zinc/74/08/48/392740848.db2.gz YZYYTCZRDSXNCX-GJZGRUSLSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496572 392740850 /nfs/dbraw/zinc/74/08/50/392740850.db2.gz YZYYTCZRDSXNCX-GJZGRUSLSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496572 392740851 /nfs/dbraw/zinc/74/08/51/392740851.db2.gz YZYYTCZRDSXNCX-GJZGRUSLSA-N 1 3 260.425 3.023 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@@H](N)[C@H](CC)C1)c1ccccc1 ZINC000647499101 392742843 /nfs/dbraw/zinc/74/28/43/392742843.db2.gz ZLRARPYHVRDYBO-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@@H](N)[C@H](CC)C1)c1ccccc1 ZINC000647499101 392742847 /nfs/dbraw/zinc/74/28/47/392742847.db2.gz ZLRARPYHVRDYBO-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](CN1CC[C@@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647499101 392742851 /nfs/dbraw/zinc/74/28/51/392742851.db2.gz ZLRARPYHVRDYBO-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO Fc1cc(F)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543783 392760901 /nfs/dbraw/zinc/76/09/01/392760901.db2.gz RYUNEGRGAHEIQR-HUUCEWRRSA-N 1 3 294.389 3.176 20 0 CGADHO C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)CC(F)F ZINC000647800604 392802749 /nfs/dbraw/zinc/80/27/49/392802749.db2.gz HOQFVVUAIWAHFF-TVYUQYBPSA-N 1 3 254.324 3.012 20 0 CGADHO Clc1ccc(CCCN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957047 392843074 /nfs/dbraw/zinc/84/30/74/392843074.db2.gz JQUMZXMYCPJVSG-KRWDZBQOSA-N 1 3 292.854 3.348 20 0 CGADHO Clc1ccc(CCC[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000647957047 392843075 /nfs/dbraw/zinc/84/30/75/392843075.db2.gz JQUMZXMYCPJVSG-KRWDZBQOSA-N 1 3 292.854 3.348 20 0 CGADHO Clc1ccc(CCC[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000647957047 392843077 /nfs/dbraw/zinc/84/30/77/392843077.db2.gz JQUMZXMYCPJVSG-KRWDZBQOSA-N 1 3 292.854 3.348 20 0 CGADHO c1ccc([C@H]2CN(C[C@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874651 392820788 /nfs/dbraw/zinc/82/07/88/392820788.db2.gz JUKXDZDLLNBYKC-OXJNMPFZSA-N 1 3 292.426 3.244 20 0 CGADHO C[N@@H+]1CCC[C@H](CNCc2ccc(C3CCC3)cc2)C1 ZINC000559269725 542757564 /nfs/dbraw/zinc/75/75/64/542757564.db2.gz MVSDUVDUGXSPCY-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@H+]1CCC[C@H](CNCc2ccc(C3CCC3)cc2)C1 ZINC000559269725 542757568 /nfs/dbraw/zinc/75/75/68/542757568.db2.gz MVSDUVDUGXSPCY-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969364 392989101 /nfs/dbraw/zinc/98/91/01/392989101.db2.gz VJLFLMJEMLEPAO-ZIAGYGMSSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969364 392989109 /nfs/dbraw/zinc/98/91/09/392989109.db2.gz VJLFLMJEMLEPAO-ZIAGYGMSSA-N 1 3 278.399 3.426 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H]1CCO[C@H](CC)C1 ZINC000648400422 392999495 /nfs/dbraw/zinc/99/94/95/392999495.db2.gz BOXYXCJYVPAMKR-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648400422 392999499 /nfs/dbraw/zinc/99/94/99/392999499.db2.gz BOXYXCJYVPAMKR-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000221922932 393007514 /nfs/dbraw/zinc/00/75/14/393007514.db2.gz NQYZOFQTPZRAEU-HZPDHXFCSA-N 1 3 252.446 3.275 20 0 CGADHO C1C[C@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCCCC4)C3)CCN2C1 ZINC000226869610 393015491 /nfs/dbraw/zinc/01/54/91/393015491.db2.gz CCDYGIJDJUPNKJ-ZACQAIPSSA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@H]2C[C@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000226869610 393015496 /nfs/dbraw/zinc/01/54/96/393015496.db2.gz CCDYGIJDJUPNKJ-ZACQAIPSSA-N 1 3 292.467 3.085 20 0 CGADHO C1C[C@H]2C[C@H](N[C@@H]3CCOC4(CCCCC4)C3)CC[N@H+]2C1 ZINC000226869610 393015501 /nfs/dbraw/zinc/01/55/01/393015501.db2.gz CCDYGIJDJUPNKJ-ZACQAIPSSA-N 1 3 292.467 3.085 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346849179 393096397 /nfs/dbraw/zinc/09/63/97/393096397.db2.gz RSVOWTRQOASZDP-GDBMZVCRSA-N 1 3 250.430 3.031 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346849179 393096404 /nfs/dbraw/zinc/09/64/04/393096404.db2.gz RSVOWTRQOASZDP-GDBMZVCRSA-N 1 3 250.430 3.031 20 0 CGADHO CC1CCC([N@H+](C[C@H]2CCCO2)C[C@H]2CCCNC2)CC1 ZINC000347001755 393098541 /nfs/dbraw/zinc/09/85/41/393098541.db2.gz HSNZXVYCSUDGQZ-JYSRZZCRSA-N 1 3 294.483 3.046 20 0 CGADHO CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@H]2CCCNC2)CC1 ZINC000347001755 393098544 /nfs/dbraw/zinc/09/85/44/393098544.db2.gz HSNZXVYCSUDGQZ-JYSRZZCRSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414790955 393055340 /nfs/dbraw/zinc/05/53/40/393055340.db2.gz AWLUUCQYCMOIOE-NXNVCVFFSA-N 1 3 260.425 3.286 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000414967153 393070703 /nfs/dbraw/zinc/07/07/03/393070703.db2.gz GWPUUUJUUICPKD-HNNXBMFYSA-N 1 3 298.833 3.389 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H]1NCCCc1c(F)cccc1Cl ZINC000414967153 393070709 /nfs/dbraw/zinc/07/07/09/393070709.db2.gz GWPUUUJUUICPKD-HNNXBMFYSA-N 1 3 298.833 3.389 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC000414966532 393071645 /nfs/dbraw/zinc/07/16/45/393071645.db2.gz GNVUHUOIJLOORA-KRWDZBQOSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)c1ccc(CCN[C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414966532 393071651 /nfs/dbraw/zinc/07/16/51/393071651.db2.gz GNVUHUOIJLOORA-KRWDZBQOSA-N 1 3 274.452 3.330 20 0 CGADHO Fc1ccc(Cl)cc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414980896 393076941 /nfs/dbraw/zinc/07/69/41/393076941.db2.gz XFSIFLGQFVGMCG-CYBMUJFWSA-N 1 3 270.779 3.101 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414983371 393078688 /nfs/dbraw/zinc/07/86/88/393078688.db2.gz ZNUDVOGWKSQTAY-SFHVURJKSA-N 1 3 295.430 3.226 20 0 CGADHO c1oc2ccccc2c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057501 393119999 /nfs/dbraw/zinc/11/99/99/393119999.db2.gz UPPWAJRJPIPEAY-PBHICJAKSA-N 1 3 284.403 3.397 20 0 CGADHO C[C@H](CCC[NH3+])NCc1csc(-c2ccc(F)cc2)n1 ZINC000415059427 393120320 /nfs/dbraw/zinc/12/03/20/393120320.db2.gz JEMMKHCKLXDZBV-LLVKDONJSA-N 1 3 293.411 3.166 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCNC1CC1 ZINC000415065988 393123541 /nfs/dbraw/zinc/12/35/41/393123541.db2.gz IGGZHFNKHDFUKJ-GFCCVEGCSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)NCCC[NH2+]C1CC1 ZINC000415065988 393123545 /nfs/dbraw/zinc/12/35/45/393123545.db2.gz IGGZHFNKHDFUKJ-GFCCVEGCSA-N 1 3 266.816 3.003 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CC(C)(C)C1 ZINC000252674098 393125719 /nfs/dbraw/zinc/12/57/19/393125719.db2.gz OSJKIPMXQHZNPH-UGUYLWEFSA-N 1 3 264.457 3.418 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415095294 393142858 /nfs/dbraw/zinc/14/28/58/393142858.db2.gz ZJNWHIIPLMHZQW-DJIMGWMZSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@@]1(CN2C[C@H](c3ccccc3)C3(CCC3)C2)CC[NH2+]C1 ZINC000415124121 393150877 /nfs/dbraw/zinc/15/08/77/393150877.db2.gz NXLDSDJAFLQTNJ-QZTJIDSGSA-N 1 3 284.447 3.256 20 0 CGADHO Cc1ccc2[nH]c(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2c1C ZINC000472058740 393329676 /nfs/dbraw/zinc/32/96/76/393329676.db2.gz QZCYTXVYIMKSJX-OAHLLOKOSA-N 1 3 297.446 3.359 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H](C)C2 ZINC000272587511 393262901 /nfs/dbraw/zinc/26/29/01/393262901.db2.gz HKSPYOXXRYIBJL-KBXCAEBGSA-N 1 3 270.420 3.080 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000355912982 393345749 /nfs/dbraw/zinc/34/57/49/393345749.db2.gz MJSYPYVNHSBCDV-HZPDHXFCSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000355912982 393345754 /nfs/dbraw/zinc/34/57/54/393345754.db2.gz MJSYPYVNHSBCDV-HZPDHXFCSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CCCCC1 ZINC000474822218 393351730 /nfs/dbraw/zinc/35/17/30/393351730.db2.gz OQUFCEFAOLWGAZ-IMJJTQAJSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000488296558 393482491 /nfs/dbraw/zinc/48/24/91/393482491.db2.gz JTNWNXQYMKPDAC-QBPKDAKJSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000488296558 393482496 /nfs/dbraw/zinc/48/24/96/393482496.db2.gz JTNWNXQYMKPDAC-QBPKDAKJSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000488296558 393482505 /nfs/dbraw/zinc/48/25/05/393482505.db2.gz JTNWNXQYMKPDAC-QBPKDAKJSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000488296558 393482512 /nfs/dbraw/zinc/48/25/12/393482512.db2.gz JTNWNXQYMKPDAC-QBPKDAKJSA-N 1 3 264.457 3.229 20 0 CGADHO CSc1ccccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420313786 393461760 /nfs/dbraw/zinc/46/17/60/393461760.db2.gz KDJSJFHIFADVCH-HNNXBMFYSA-N 1 3 290.476 3.230 20 0 CGADHO [NH3+]CCCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000420394038 393483167 /nfs/dbraw/zinc/48/31/67/393483167.db2.gz CKKATQVJFAJSND-ZDUSSCGKSA-N 1 3 272.314 3.095 20 0 CGADHO COC1(C[C@H](C)[NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000429507971 393472307 /nfs/dbraw/zinc/47/23/07/393472307.db2.gz ASQVKXXDJCYBKW-BBWFWOEESA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420365514 393474793 /nfs/dbraw/zinc/47/47/93/393474793.db2.gz LFLFTYSZZNGQMV-DJIMGWMZSA-N 1 3 282.472 3.079 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCCc2ccsc2)CC1 ZINC000429540856 393475945 /nfs/dbraw/zinc/47/59/45/393475945.db2.gz NVPPCFPDHJLOQG-OAHLLOKOSA-N 1 3 266.454 3.097 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCCc2ccsc2)CC1 ZINC000429540856 393475948 /nfs/dbraw/zinc/47/59/48/393475948.db2.gz NVPPCFPDHJLOQG-OAHLLOKOSA-N 1 3 266.454 3.097 20 0 CGADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365780 393477179 /nfs/dbraw/zinc/47/71/79/393477179.db2.gz LPFSHMXFIFEVCZ-JTNHKYCSSA-N 1 3 268.351 3.100 20 0 CGADHO C[C@@H]1CCN([C@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000420412746 393486799 /nfs/dbraw/zinc/48/67/99/393486799.db2.gz SPTHZGQJDQWAON-MRRJBJDNSA-N 1 3 276.399 3.120 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1C ZINC000488431174 393510458 /nfs/dbraw/zinc/51/04/58/393510458.db2.gz OBWHIGRXXDDFHJ-JONQDZQNSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc(Cl)c2)C1 ZINC000430579235 393578208 /nfs/dbraw/zinc/57/82/08/393578208.db2.gz YHQHKWVGCDAWRQ-UONOGXRCSA-N 1 3 296.842 3.168 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1CCCNCC1)c1ccccc1 ZINC000666856405 542820755 /nfs/dbraw/zinc/82/07/55/542820755.db2.gz GXLZPQDAWUKQHM-IAGOWNOFSA-N 1 3 260.425 3.302 20 0 CGADHO Nc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000666859935 542821657 /nfs/dbraw/zinc/82/16/57/542821657.db2.gz IBKMSIWTHPUFFN-AKHDSKFASA-N 1 3 299.462 3.157 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNCC2)C[C@@H]1C ZINC000666857882 542821930 /nfs/dbraw/zinc/82/19/30/542821930.db2.gz OBAKPGUXKOSVOG-FZKCQIBNSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422741951 393640366 /nfs/dbraw/zinc/64/03/66/393640366.db2.gz FSHZELCYJIWHCH-QKPAOTATSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000422752748 393642038 /nfs/dbraw/zinc/64/20/38/393642038.db2.gz CZJOXRXIJWZWJQ-JKSUJKDBSA-N 1 3 278.415 3.353 20 0 CGADHO Cc1cccc(C2(C[NH2+][C@H](C)C3CNC3)CCCC2)c1 ZINC000422911034 393645839 /nfs/dbraw/zinc/64/58/39/393645839.db2.gz RXIPZWUDYQPJGC-OAHLLOKOSA-N 1 3 272.436 3.004 20 0 CGADHO Cc1cccc(C2(CN[C@H](C)C3C[NH2+]C3)CCCC2)c1 ZINC000422911034 393645841 /nfs/dbraw/zinc/64/58/41/393645841.db2.gz RXIPZWUDYQPJGC-OAHLLOKOSA-N 1 3 272.436 3.004 20 0 CGADHO CC1(C)CC[C@H](NC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423218119 393654988 /nfs/dbraw/zinc/65/49/88/393654988.db2.gz UZFGIKFOJTYDNI-PBHICJAKSA-N 1 3 272.436 3.388 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423384353 393665063 /nfs/dbraw/zinc/66/50/63/393665063.db2.gz LAXOFMYTCVONNR-LAQFHYBYSA-N 1 3 258.409 3.204 20 0 CGADHO Cc1ccc2nccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000443433051 393757545 /nfs/dbraw/zinc/75/75/45/393757545.db2.gz UUMCCZLKEDVHTI-GJZGRUSLSA-N 1 3 281.403 3.004 20 0 CGADHO Cc1ccc2nccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000443433051 393757548 /nfs/dbraw/zinc/75/75/48/393757548.db2.gz UUMCCZLKEDVHTI-GJZGRUSLSA-N 1 3 281.403 3.004 20 0 CGADHO CN(CCCc1cccc(F)c1)CCC[NH+]1CCCC1 ZINC000499948587 393812084 /nfs/dbraw/zinc/81/20/84/393812084.db2.gz CBBCLNFRLHHMEU-UHFFFAOYSA-N 1 3 278.415 3.176 20 0 CGADHO c1cc2cc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2cn1 ZINC000666969005 542830987 /nfs/dbraw/zinc/83/09/87/542830987.db2.gz UKRFSHJPKXBVGP-RBUKOAKNSA-N 1 3 295.430 3.199 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666997066 542833306 /nfs/dbraw/zinc/83/33/06/542833306.db2.gz UZNQAPIEDCSBLQ-MRXNPFEDSA-N 1 3 272.436 3.229 20 0 CGADHO CC(C)(CN[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666997066 542833308 /nfs/dbraw/zinc/83/33/08/542833308.db2.gz UZNQAPIEDCSBLQ-MRXNPFEDSA-N 1 3 272.436 3.229 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCNC2(CCC2)C1)Cc1ccccc1 ZINC000666995731 542833439 /nfs/dbraw/zinc/83/34/39/542833439.db2.gz XTTZUHIKIFWPLI-NVXWUHKLSA-N 1 3 272.436 3.130 20 0 CGADHO CC1CCC(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666997028 542833609 /nfs/dbraw/zinc/83/36/09/542833609.db2.gz SEVCRVHUTMFTBD-YMAMQOFZSA-N 1 3 250.430 3.077 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555352 394016783 /nfs/dbraw/zinc/01/67/83/394016783.db2.gz AQXQUBODERRPOP-HOCLYGCPSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CC2=CCCCC2)[C@@H](C)C1 ZINC000450555352 394016787 /nfs/dbraw/zinc/01/67/87/394016787.db2.gz AQXQUBODERRPOP-HOCLYGCPSA-N 1 3 250.430 3.149 20 0 CGADHO Cc1ccc2cc(C[N@@H+](C)C[C@@H]3CCCN(C)C3)[nH]c2c1 ZINC000667517854 542883124 /nfs/dbraw/zinc/88/31/24/542883124.db2.gz HPMGSRPHCLABNR-OAHLLOKOSA-N 1 3 285.435 3.250 20 0 CGADHO Cc1ccc2cc(C[N@H+](C)C[C@@H]3CCCN(C)C3)[nH]c2c1 ZINC000667517854 542883125 /nfs/dbraw/zinc/88/31/25/542883125.db2.gz HPMGSRPHCLABNR-OAHLLOKOSA-N 1 3 285.435 3.250 20 0 CGADHO CN(CC[C@@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000671246814 543165500 /nfs/dbraw/zinc/16/55/00/543165500.db2.gz OMMJMVVFXFVWLO-INIZCTEOSA-N 1 3 260.425 3.338 20 0 CGADHO CN(CC[C@@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000671246814 543165502 /nfs/dbraw/zinc/16/55/02/543165502.db2.gz OMMJMVVFXFVWLO-INIZCTEOSA-N 1 3 260.425 3.338 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]C[C@H](C)CN(C)C)C(C)C)cc1 ZINC000425944828 292110162 /nfs/dbraw/zinc/11/01/62/292110162.db2.gz OHEQWFRGMKZLPQ-WMZOPIPTSA-N 1 3 276.468 3.349 20 0 CGADHO CC[C@@H]1CN(Cc2ccc(OC)c3ccccc23)CC[C@@H]1[NH3+] ZINC000387515893 397690443 /nfs/dbraw/zinc/69/04/43/397690443.db2.gz OVJNUUUDAUHQGX-KDOFPFPSSA-N 1 3 298.430 3.408 20 0 CGADHO C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1CCN ZINC000650711968 397899323 /nfs/dbraw/zinc/89/93/23/397899323.db2.gz LDALYAPEMOAZMM-LEUOFYLZSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1CCN ZINC000650711968 397899326 /nfs/dbraw/zinc/89/93/26/397899326.db2.gz LDALYAPEMOAZMM-LEUOFYLZSA-N 1 3 272.436 3.239 20 0 CGADHO CC(C)(CNCc1ccc(C[NH3+])cc1F)c1ccccc1 ZINC000650717965 397901046 /nfs/dbraw/zinc/90/10/46/397901046.db2.gz SJHGNMCQHICLFR-UHFFFAOYSA-N 1 3 286.394 3.352 20 0 CGADHO CC[C@@H](NCCC1(C[NH3+])CC1)c1cc(F)ccc1F ZINC000650744499 397905569 /nfs/dbraw/zinc/90/55/69/397905569.db2.gz OQWYUYIBVNYGQY-CQSZACIVSA-N 1 3 268.351 3.135 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000650752077 397908786 /nfs/dbraw/zinc/90/87/86/397908786.db2.gz IRODMHXXPQWYQA-GOSISDBHSA-N 1 3 284.378 3.452 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000650758001 397910263 /nfs/dbraw/zinc/91/02/63/397910263.db2.gz GOWMWPICLXEWPW-GOSISDBHSA-N 1 3 284.378 3.322 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)N2 ZINC000650761396 397911864 /nfs/dbraw/zinc/91/18/64/397911864.db2.gz ZBLPMCQKNXOPKT-KURKYZTESA-N 1 3 299.462 3.020 20 0 CGADHO c1ccc2c(c1)CC[C@H](CCN[C@@H]1CC[N@H+]3CCC[C@H]3C1)N2 ZINC000650761396 397911867 /nfs/dbraw/zinc/91/18/67/397911867.db2.gz ZBLPMCQKNXOPKT-KURKYZTESA-N 1 3 299.462 3.020 20 0 CGADHO CCC[NH+](CCC)Cc1ccc(OCCN(C)C)cc1 ZINC000678120544 543485160 /nfs/dbraw/zinc/48/51/60/543485160.db2.gz KVFKIWLHPAAEET-UHFFFAOYSA-N 1 3 278.440 3.249 20 0 CGADHO C[C@H]([N@H+](C)Cc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000678154109 543489198 /nfs/dbraw/zinc/48/91/98/543489198.db2.gz ZIRUCPKPCWRPKG-HNNXBMFYSA-N 1 3 292.467 3.493 20 0 CGADHO C[C@H]([N@@H+](C)Cc1ccc(OCCN(C)C)cc1)C(C)(C)C ZINC000678154109 543489200 /nfs/dbraw/zinc/48/92/00/543489200.db2.gz ZIRUCPKPCWRPKG-HNNXBMFYSA-N 1 3 292.467 3.493 20 0 CGADHO CCOCCC1(CN[C@H](C)[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422892661 286049631 /nfs/dbraw/zinc/04/96/31/286049631.db2.gz ZANDNZVQXPJZHW-HZPDHXFCSA-N 1 3 282.472 3.094 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000678605554 543543504 /nfs/dbraw/zinc/54/35/04/543543504.db2.gz QGQNSTOHVZFKJU-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000678772159 543555742 /nfs/dbraw/zinc/55/57/42/543555742.db2.gz HGLSRHMRQFDMQA-FUHWJXTLSA-N 1 3 272.436 3.082 20 0 CGADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000420304255 286372346 /nfs/dbraw/zinc/37/23/46/286372346.db2.gz LJNNLRQLXTVARW-NUJGCVRESA-N 1 3 288.435 3.002 20 0 CGADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000420304255 286372349 /nfs/dbraw/zinc/37/23/49/286372349.db2.gz LJNNLRQLXTVARW-NUJGCVRESA-N 1 3 288.435 3.002 20 0 CGADHO COc1ccc([C@H](NCC[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000272035615 286375597 /nfs/dbraw/zinc/37/55/97/286375597.db2.gz NVJLEEVFOVXUMK-FUHWJXTLSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@H](NCC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000272035615 286375598 /nfs/dbraw/zinc/37/55/98/286375598.db2.gz NVJLEEVFOVXUMK-FUHWJXTLSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc([C@H]([NH2+]CC[C@@H]2CCCN2C)C2CC2)cc1 ZINC000272035615 286375600 /nfs/dbraw/zinc/37/56/00/286375600.db2.gz NVJLEEVFOVXUMK-FUHWJXTLSA-N 1 3 288.435 3.220 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261985315 286393674 /nfs/dbraw/zinc/39/36/74/286393674.db2.gz JRMXENBKVYKHII-MSOLQXFVSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2cccc(F)c2F)CCCC1 ZINC000423081832 286913580 /nfs/dbraw/zinc/91/35/80/286913580.db2.gz VRZIGXYRNYIFAC-CHWSQXEVSA-N 1 3 296.405 3.492 20 0 CGADHO CC(C)Cc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000088296651 287086108 /nfs/dbraw/zinc/08/61/08/287086108.db2.gz ZAFPOATWGBATKZ-GOSISDBHSA-N 1 3 274.452 3.317 20 0 CGADHO CC(C)Cc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000088296651 287086109 /nfs/dbraw/zinc/08/61/09/287086109.db2.gz ZAFPOATWGBATKZ-GOSISDBHSA-N 1 3 274.452 3.317 20 0 CGADHO C[NH+](C)CC1CCN(CCSc2ccccc2)CC1 ZINC000079618795 165146249 /nfs/dbraw/zinc/14/62/49/165146249.db2.gz VEZCYSPLKWCXSQ-UHFFFAOYSA-N 1 3 278.465 3.052 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096944 165162149 /nfs/dbraw/zinc/16/21/49/165162149.db2.gz QSTYGVKIHKERKG-WBVHZDCISA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2C)[C@H](C)C1 ZINC000081096944 165162153 /nfs/dbraw/zinc/16/21/53/165162153.db2.gz QSTYGVKIHKERKG-WBVHZDCISA-N 1 3 260.425 3.157 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000376675273 287107958 /nfs/dbraw/zinc/10/79/58/287107958.db2.gz XYSZENXFSNATSV-QEOTZNIISA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccnc1 ZINC000092856908 165316627 /nfs/dbraw/zinc/31/66/27/165316627.db2.gz LIWRHLGJULENPV-HNNXBMFYSA-N 1 3 296.418 3.044 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cc(F)cc(F)c1 ZINC000094825951 165391517 /nfs/dbraw/zinc/39/15/17/165391517.db2.gz RFWHCPPACWKBQE-NSHDSACASA-N 1 3 270.367 3.203 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000093741975 287118618 /nfs/dbraw/zinc/11/86/18/287118618.db2.gz PAXRSIVEYHCAHN-HOTGVXAUSA-N 1 3 250.430 3.006 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000093741975 287118619 /nfs/dbraw/zinc/11/86/19/287118619.db2.gz PAXRSIVEYHCAHN-HOTGVXAUSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H]1CN(CCC2CC[NH+](CC(C)(C)C)CC2)C[C@H](C)O1 ZINC000093844466 287119727 /nfs/dbraw/zinc/11/97/27/287119727.db2.gz HVDIKOGWKKFEIY-IYBDPMFKSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000125742259 287249786 /nfs/dbraw/zinc/24/97/86/287249786.db2.gz JPYVXXHJBVYNJN-DLBZAZTESA-N 1 3 264.457 3.300 20 0 CGADHO CC[NH+](CC)Cc1ccc(CNCc2cccn2C)cc1 ZINC000020360560 171158700 /nfs/dbraw/zinc/15/87/00/171158700.db2.gz WHIBWIUDCBIWFZ-UHFFFAOYSA-N 1 3 285.435 3.157 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)C1CC1 ZINC000125974966 287254165 /nfs/dbraw/zinc/25/41/65/287254165.db2.gz OBYZWQJEVJJLQQ-HOCLYGCPSA-N 1 3 252.446 3.131 20 0 CGADHO Clc1ccc2c(c1)C[C@@H](NCCC[NH+]1CCCCC1)C2 ZINC000126474040 287265878 /nfs/dbraw/zinc/26/58/78/287265878.db2.gz RDVLXDAWMXHJOJ-KRWDZBQOSA-N 1 3 292.854 3.273 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000246467080 287268688 /nfs/dbraw/zinc/26/86/88/287268688.db2.gz KAHDOHGXOFXVEV-CABCVRRESA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC(C)(C)OC1(C)C ZINC000246467080 287268690 /nfs/dbraw/zinc/26/86/90/287268690.db2.gz KAHDOHGXOFXVEV-CABCVRRESA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC(C)(C)OC1(C)C ZINC000246467080 287268691 /nfs/dbraw/zinc/26/86/91/287268691.db2.gz KAHDOHGXOFXVEV-CABCVRRESA-N 1 3 282.472 3.187 20 0 CGADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1C ZINC000037408339 173184819 /nfs/dbraw/zinc/18/48/19/173184819.db2.gz QMZZBNCSNXQPDK-MRXNPFEDSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037408339 173184821 /nfs/dbraw/zinc/18/48/21/173184821.db2.gz QMZZBNCSNXQPDK-MRXNPFEDSA-N 1 3 272.436 3.186 20 0 CGADHO Cc1cc(C)c(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000037408339 173184822 /nfs/dbraw/zinc/18/48/22/173184822.db2.gz QMZZBNCSNXQPDK-MRXNPFEDSA-N 1 3 272.436 3.186 20 0 CGADHO CC[C@@H]1C[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000356980354 287282046 /nfs/dbraw/zinc/28/20/46/287282046.db2.gz SQWVECWDNDYYIQ-OKZBNKHCSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N3CCCC3)CC2)CCO1 ZINC000356980354 287282047 /nfs/dbraw/zinc/28/20/47/287282047.db2.gz SQWVECWDNDYYIQ-OKZBNKHCSA-N 1 3 294.483 3.142 20 0 CGADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N3CCCC3)CC2)CCO1 ZINC000356980354 287282051 /nfs/dbraw/zinc/28/20/51/287282051.db2.gz SQWVECWDNDYYIQ-OKZBNKHCSA-N 1 3 294.483 3.142 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000038041786 174043468 /nfs/dbraw/zinc/04/34/68/174043468.db2.gz JCJDAMXPLFOORA-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO C[NH+]1CCC(CNCc2c(Cl)cccc2Cl)CC1 ZINC000044515840 175190007 /nfs/dbraw/zinc/19/00/07/175190007.db2.gz MZTXWJTXTICGCN-UHFFFAOYSA-N 1 3 287.234 3.425 20 0 CGADHO CCC[N@H+]([C@@H]1CCNC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000071314802 176121014 /nfs/dbraw/zinc/12/10/14/176121014.db2.gz VEAANHMMHBSKIR-RRFJBIMHSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[N@@H+]([C@@H]1CCNC1)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000071314802 176121015 /nfs/dbraw/zinc/12/10/15/176121015.db2.gz VEAANHMMHBSKIR-RRFJBIMHSA-N 1 3 252.446 3.275 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000129245037 287327655 /nfs/dbraw/zinc/32/76/55/287327655.db2.gz WIMCLUQUEJDVBB-GFCCVEGCSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)[C@@H]1CCN ZINC000404382753 416555371 /nfs/dbraw/zinc/55/53/71/416555371.db2.gz NDUBHOUNGPXMAT-HLLBOEOZSA-N 1 3 288.435 3.002 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)[C@@H]1CCN ZINC000404382753 416555374 /nfs/dbraw/zinc/55/53/74/416555374.db2.gz NDUBHOUNGPXMAT-HLLBOEOZSA-N 1 3 288.435 3.002 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCC(F)(F)C2)CC1 ZINC000679073607 543589119 /nfs/dbraw/zinc/58/91/19/543589119.db2.gz LPKYZLBQNSHCJM-LBPRGKRZSA-N 1 3 260.372 3.027 20 0 CGADHO Oc1ccc([C@@H]2CCC[N@@H+]2CCCN2CCCCC2)cc1 ZINC000682028667 543817409 /nfs/dbraw/zinc/81/74/09/543817409.db2.gz AQUQEXHPNMDUAR-SFHVURJKSA-N 1 3 288.435 3.405 20 0 CGADHO Oc1ccc([C@@H]2CCC[N@H+]2CCCN2CCCCC2)cc1 ZINC000682028667 543817410 /nfs/dbraw/zinc/81/74/10/543817410.db2.gz AQUQEXHPNMDUAR-SFHVURJKSA-N 1 3 288.435 3.405 20 0 CGADHO Cc1ccc(CCCN(C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000684360414 543985079 /nfs/dbraw/zinc/98/50/79/543985079.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 1 3 289.467 3.129 20 0 CGADHO Cc1ccc(CCCN(C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000684360414 543985080 /nfs/dbraw/zinc/98/50/80/543985080.db2.gz FRPOVZSPZUKDOG-GOSISDBHSA-N 1 3 289.467 3.129 20 0 CGADHO Cc1ccccc1C1(NCc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652341795 418956730 /nfs/dbraw/zinc/95/67/30/418956730.db2.gz SEVCHODWZXTQBF-UHFFFAOYSA-N 1 3 292.426 3.420 20 0 CGADHO C[C@H]1C[C@H]([NH3+])CCN1CCCCCOc1ccccc1 ZINC000653279962 419022661 /nfs/dbraw/zinc/02/26/61/419022661.db2.gz PHMYBRPIILZKGT-JKSUJKDBSA-N 1 3 276.424 3.047 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000659974675 419049993 /nfs/dbraw/zinc/04/99/93/419049993.db2.gz OVTAIOAEIPQSLW-HIFRSBDPSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@H](CC(F)F)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000659974675 419049997 /nfs/dbraw/zinc/04/99/97/419049997.db2.gz OVTAIOAEIPQSLW-HIFRSBDPSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000659974675 419050003 /nfs/dbraw/zinc/05/00/03/419050003.db2.gz OVTAIOAEIPQSLW-HIFRSBDPSA-N 1 3 288.426 3.332 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000659974675 419050004 /nfs/dbraw/zinc/05/00/04/419050004.db2.gz OVTAIOAEIPQSLW-HIFRSBDPSA-N 1 3 288.426 3.332 20 0 CGADHO CO[C@@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000659943353 419040295 /nfs/dbraw/zinc/04/02/95/419040295.db2.gz BLOCZPWNUBHBAY-MSOLQXFVSA-N 1 3 294.483 3.142 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(CCCC2CCC2)C1 ZINC000659976673 419050517 /nfs/dbraw/zinc/05/05/17/419050517.db2.gz UMNXWMSFQZKKCI-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659976673 419050521 /nfs/dbraw/zinc/05/05/21/419050521.db2.gz UMNXWMSFQZKKCI-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659976673 419050523 /nfs/dbraw/zinc/05/05/23/419050523.db2.gz UMNXWMSFQZKKCI-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCC2CCC2)C1 ZINC000659973999 419049256 /nfs/dbraw/zinc/04/92/56/419049256.db2.gz JGMLMOBOPCLQCC-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCC2CCC2)C1 ZINC000659973999 419049259 /nfs/dbraw/zinc/04/92/59/419049259.db2.gz JGMLMOBOPCLQCC-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659973999 419049260 /nfs/dbraw/zinc/04/92/60/419049260.db2.gz JGMLMOBOPCLQCC-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659973999 419049262 /nfs/dbraw/zinc/04/92/62/419049262.db2.gz JGMLMOBOPCLQCC-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@@H](C)SC1)N1CCCCC1 ZINC000655754687 419087882 /nfs/dbraw/zinc/08/78/82/419087882.db2.gz VCZXZTHPKAFSOI-KFWWJZLASA-N 1 3 270.486 3.125 20 0 CGADHO C[C@H](CCN[C@H]1CC[C@@H](C)SC1)[NH+]1CCCCC1 ZINC000655754687 419087885 /nfs/dbraw/zinc/08/78/85/419087885.db2.gz VCZXZTHPKAFSOI-KFWWJZLASA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CC[C@@H](C)SC1)N1CCCCC1 ZINC000655754689 419087890 /nfs/dbraw/zinc/08/78/90/419087890.db2.gz VCZXZTHPKAFSOI-RRFJBIMHSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@@H](CCN[C@@H]1CC[C@@H](C)SC1)[NH+]1CCCCC1 ZINC000655754689 419087893 /nfs/dbraw/zinc/08/78/93/419087893.db2.gz VCZXZTHPKAFSOI-RRFJBIMHSA-N 1 3 270.486 3.125 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccnc2ccccc12 ZINC000665238701 419088775 /nfs/dbraw/zinc/08/87/75/419088775.db2.gz ARVGEHFHXACMEC-FUHWJXTLSA-N 1 3 283.419 3.027 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000665246358 419091113 /nfs/dbraw/zinc/09/11/13/419091113.db2.gz CNVNVCXWMKDJSX-JKSUJKDBSA-N 1 3 287.451 3.277 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCCC1)c1cc2c(s1)CCC2 ZINC000665248471 419092735 /nfs/dbraw/zinc/09/27/35/419092735.db2.gz XPHCMKFTKJRZCN-LLVKDONJSA-N 1 3 264.438 3.159 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCCC1 ZINC000665248551 419092753 /nfs/dbraw/zinc/09/27/53/419092753.db2.gz ZCSFDHBXVHMEKU-OAHLLOKOSA-N 1 3 262.372 3.064 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCC[C@@H]([NH3+])C(C)C)CCC2 ZINC000665281275 419103450 /nfs/dbraw/zinc/10/34/50/419103450.db2.gz YYSYPOSKWCEQGT-SJORKVTESA-N 1 3 276.424 3.036 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283428 419103879 /nfs/dbraw/zinc/10/38/79/419103879.db2.gz NOHMGFIDUYJTGL-BHDPWAOGSA-N 1 3 250.430 3.062 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccccc2C(F)(F)F)C1 ZINC000656193191 419148832 /nfs/dbraw/zinc/14/88/32/419148832.db2.gz YQFZMWVPSNGNAG-QWHCGFSZSA-N 1 3 286.341 3.107 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC000656193191 419148834 /nfs/dbraw/zinc/14/88/34/419148834.db2.gz YQFZMWVPSNGNAG-QWHCGFSZSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccccc3F)CCC2)C1 ZINC000656200440 419149658 /nfs/dbraw/zinc/14/96/58/419149658.db2.gz PTPDJJPLYUKIME-UONOGXRCSA-N 1 3 276.399 3.107 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3F)CCC2)C1 ZINC000656200440 419149660 /nfs/dbraw/zinc/14/96/60/419149660.db2.gz PTPDJJPLYUKIME-UONOGXRCSA-N 1 3 276.399 3.107 20 0 CGADHO CC[C@@H]1C[C@@H](NCc2ccc(C[NH+](CC)CC)cc2)CO1 ZINC000657297438 419245667 /nfs/dbraw/zinc/24/56/67/419245667.db2.gz NVFCZONQHCHBNK-QZTJIDSGSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000666228874 419200394 /nfs/dbraw/zinc/20/03/94/419200394.db2.gz YHDNZHKHYVCONF-FZMZJTMJSA-N 1 3 272.383 3.027 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC1(F)F ZINC000666228874 419200396 /nfs/dbraw/zinc/20/03/96/419200396.db2.gz YHDNZHKHYVCONF-FZMZJTMJSA-N 1 3 272.383 3.027 20 0 CGADHO COc1ccc2cc(C[NH2+]CC3(N)CCCC3)ccc2c1 ZINC000656788517 419219706 /nfs/dbraw/zinc/21/97/06/419219706.db2.gz SSCBEHGJYXNNAU-UHFFFAOYSA-N 1 3 284.403 3.210 20 0 CGADHO C[N@H+](CCCc1c(F)cccc1Cl)CC(C)(C)N ZINC000656785824 419220090 /nfs/dbraw/zinc/22/00/90/419220090.db2.gz RAXKVYFUZNFTGL-UHFFFAOYSA-N 1 3 272.795 3.081 20 0 CGADHO C[N@@H+](CCCc1c(F)cccc1Cl)CC(C)(C)N ZINC000656785824 419220094 /nfs/dbraw/zinc/22/00/94/419220094.db2.gz RAXKVYFUZNFTGL-UHFFFAOYSA-N 1 3 272.795 3.081 20 0 CGADHO c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000657611629 419313325 /nfs/dbraw/zinc/31/33/25/419313325.db2.gz AFRGPLSQJPIXBE-UHFFFAOYSA-N 1 3 295.430 3.083 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc3ccoc32)CC1 ZINC000336209843 228214159 /nfs/dbraw/zinc/21/41/59/228214159.db2.gz GREBMGWXOUPVFC-INIZCTEOSA-N 1 3 272.392 3.349 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC000336209843 228214160 /nfs/dbraw/zinc/21/41/60/228214160.db2.gz GREBMGWXOUPVFC-INIZCTEOSA-N 1 3 272.392 3.349 20 0 CGADHO CCCc1nc(CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662314764 419390805 /nfs/dbraw/zinc/39/08/05/419390805.db2.gz PZOBPHSSMWCDMS-UKRRQHHQSA-N 1 3 295.496 3.435 20 0 CGADHO c1c2cccnc2oc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657815216 419365064 /nfs/dbraw/zinc/36/50/64/419365064.db2.gz MWLFNIXVXDMAQV-UHFFFAOYSA-N 1 3 299.418 3.039 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(F)F)nc1 ZINC000657816223 419365136 /nfs/dbraw/zinc/36/51/36/419365136.db2.gz KAOLGGHRDYASKM-LLVKDONJSA-N 1 3 285.382 3.258 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(CCSc2cccc(Cl)c2)C1 ZINC000662266774 419375003 /nfs/dbraw/zinc/37/50/03/419375003.db2.gz OXDVKAHEEIJZJF-NEPJUHHUSA-N 1 3 284.856 3.101 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000657839727 419380900 /nfs/dbraw/zinc/38/09/00/419380900.db2.gz DYWLWXJNQMVYNI-DGXTUMSLSA-N 1 3 262.441 3.028 20 0 CGADHO c1cncc([C@@H]2CCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662277967 419383195 /nfs/dbraw/zinc/38/31/95/419383195.db2.gz VPJQWSNEUSLGIF-IBGZPJMESA-N 1 3 293.414 3.064 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cc2cnccc2o1 ZINC000657843158 419383970 /nfs/dbraw/zinc/38/39/70/419383970.db2.gz CTGGJRHCKQRSES-ZDUSSCGKSA-N 1 3 299.418 3.353 20 0 CGADHO CCOC1CCC([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000657845823 419385285 /nfs/dbraw/zinc/38/52/85/419385285.db2.gz XYKBRDWVPWCTFT-KLAILNCOSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657971009 419469009 /nfs/dbraw/zinc/46/90/09/419469009.db2.gz HZWBAZOFURXOFI-ZDUSSCGKSA-N 1 3 287.407 3.210 20 0 CGADHO CCOC1CCC([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000657972989 419470957 /nfs/dbraw/zinc/47/09/57/419470957.db2.gz NLIJZPNKHNVESC-KLAILNCOSA-N 1 3 282.472 3.188 20 0 CGADHO C1=CC[C@@H](C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663346615 419565560 /nfs/dbraw/zinc/56/55/60/419565560.db2.gz AUNYIEJYGDRDTO-WBVHZDCISA-N 1 3 262.441 3.054 20 0 CGADHO CCC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168471 419635806 /nfs/dbraw/zinc/63/58/06/419635806.db2.gz XJTXWQNXTVUSPN-HNNXBMFYSA-N 1 3 275.440 3.072 20 0 CGADHO Cc1cc(CNCC[C@@H]([NH3+])C(C)C)cc2cccnc12 ZINC000663500162 419636419 /nfs/dbraw/zinc/63/64/19/419636419.db2.gz PVSLHLRYYCYZCZ-MRXNPFEDSA-N 1 3 271.408 3.006 20 0 CGADHO c1cc2cccc(C[NH2+]C[C@@H]3CCCN(CC4CC4)C3)c2[nH]1 ZINC000663345543 419569961 /nfs/dbraw/zinc/56/99/61/419569961.db2.gz KOEWNWJVJPDEQU-INIZCTEOSA-N 1 3 297.446 3.380 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000663504076 419640206 /nfs/dbraw/zinc/64/02/06/419640206.db2.gz VUAPKMBJTLWNOL-KSZLIROESA-N 1 3 274.452 3.361 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164870 419630644 /nfs/dbraw/zinc/63/06/44/419630644.db2.gz AMTZNDDRYPDEJB-HZPDHXFCSA-N 1 3 289.467 3.318 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)C1CC1 ZINC000658237396 419694073 /nfs/dbraw/zinc/69/40/73/419694073.db2.gz ZRYNPCZKJARRDC-KSSFIOAISA-N 1 3 290.451 3.466 20 0 CGADHO CC[NH+](CC)C[C@H](C)Nc1ccnc2ccccc21 ZINC000041676996 270031311 /nfs/dbraw/zinc/03/13/11/270031311.db2.gz DMQILBPFKMGRQG-ZDUSSCGKSA-N 1 3 257.381 3.377 20 0 CGADHO CC[NH+](CC)CCCNC1CC(c2cccc(F)c2)C1 ZINC000036842389 270028275 /nfs/dbraw/zinc/02/82/75/270028275.db2.gz VTUGYLSDNQMHMI-UHFFFAOYSA-N 1 3 278.415 3.393 20 0 CGADHO CCN(CC)CCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036842389 270028276 /nfs/dbraw/zinc/02/82/76/270028276.db2.gz VTUGYLSDNQMHMI-UHFFFAOYSA-N 1 3 278.415 3.393 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533791 270035844 /nfs/dbraw/zinc/03/58/44/270035844.db2.gz HGNABTTUYJSSMH-HUUCEWRRSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533791 270035845 /nfs/dbraw/zinc/03/58/45/270035845.db2.gz HGNABTTUYJSSMH-HUUCEWRRSA-N 1 3 272.436 3.168 20 0 CGADHO CN1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000044535851 270036316 /nfs/dbraw/zinc/03/63/16/270036316.db2.gz SQARSMFYVNMTTO-GFCCVEGCSA-N 1 3 287.234 3.425 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2ccccc2OC)CC1 ZINC000044517560 270036700 /nfs/dbraw/zinc/03/67/00/270036700.db2.gz VLBNLOCZKBZNGQ-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534584 270036799 /nfs/dbraw/zinc/03/67/99/270036799.db2.gz CWXJTLXAWJUXOI-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534584 270036801 /nfs/dbraw/zinc/03/68/01/270036801.db2.gz CWXJTLXAWJUXOI-XJKSGUPXSA-N 1 3 264.388 3.208 20 0 CGADHO Oc1cccc2c1CCC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000192364000 270077306 /nfs/dbraw/zinc/07/73/06/270077306.db2.gz LWWNZLJXAABCOA-QGZVFWFLSA-N 1 3 288.435 3.235 20 0 CGADHO CC(C)[N@H+](C)CCCNC1CC(c2cccc(F)c2)C1 ZINC000228812822 270087908 /nfs/dbraw/zinc/08/79/08/270087908.db2.gz QHGDUCPBHBGDBP-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)[N@@H+](C)CCCNC1CC(c2cccc(F)c2)C1 ZINC000228812822 270087909 /nfs/dbraw/zinc/08/79/09/270087909.db2.gz QHGDUCPBHBGDBP-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CC(C)N(C)CCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228812822 270087910 /nfs/dbraw/zinc/08/79/10/270087910.db2.gz QHGDUCPBHBGDBP-UHFFFAOYSA-N 1 3 278.415 3.392 20 0 CGADHO CC1CCN(CCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000229623333 270088615 /nfs/dbraw/zinc/08/86/15/270088615.db2.gz IOWSPCSNMZCIHP-UHFFFAOYSA-N 1 3 285.435 3.380 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)CN1CCCC1 ZINC000328146999 270095165 /nfs/dbraw/zinc/09/51/65/270095165.db2.gz DGDABFPMSHDDSD-HOTGVXAUSA-N 1 3 264.457 3.421 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527356 270182608 /nfs/dbraw/zinc/18/26/08/270182608.db2.gz DASLJUAZJYRACF-KSSFIOAISA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000529527356 270182609 /nfs/dbraw/zinc/18/26/09/270182609.db2.gz DASLJUAZJYRACF-KSSFIOAISA-N 1 3 285.435 3.330 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530362 270182649 /nfs/dbraw/zinc/18/26/49/270182649.db2.gz DYRJSDYJDNTIHW-MGPQQGTHSA-N 1 3 288.426 3.378 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCNC12CCC2 ZINC000530216886 270195666 /nfs/dbraw/zinc/19/56/66/270195666.db2.gz QSOKIHPMNPQIQM-SJORKVTESA-N 1 3 272.436 3.128 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531438228 270206824 /nfs/dbraw/zinc/20/68/24/270206824.db2.gz AGMNMMUFYFRGLL-XDNAFOTISA-N 1 3 296.499 3.434 20 0 CGADHO COc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423364445 274137029 /nfs/dbraw/zinc/13/70/29/274137029.db2.gz WAYXFQUOBSUNHT-LJQANCHMSA-N 1 3 294.398 3.076 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@H](C)CC[NH+](C)C)CCC2 ZINC000092383841 274138259 /nfs/dbraw/zinc/13/82/59/274138259.db2.gz OCDQFKHWWSBHMT-CXAGYDPISA-N 1 3 276.424 3.002 20 0 CGADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000049554230 274209148 /nfs/dbraw/zinc/20/91/48/274209148.db2.gz YXVNSVDDKWTOOF-FZMZJTMJSA-N 1 3 282.428 3.292 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@H]1N ZINC000414654627 274359008 /nfs/dbraw/zinc/35/90/08/274359008.db2.gz GHUUIQXYSQWGED-DDBAPUKQSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@H]1N ZINC000414654627 274359009 /nfs/dbraw/zinc/35/90/09/274359009.db2.gz GHUUIQXYSQWGED-DDBAPUKQSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1CN([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000414654627 274359011 /nfs/dbraw/zinc/35/90/11/274359011.db2.gz GHUUIQXYSQWGED-DDBAPUKQSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](CCC[NH3+])N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423465517 274475865 /nfs/dbraw/zinc/47/58/65/274475865.db2.gz WOEJHGQVKLYSEH-GHMZBOCLSA-N 1 3 294.830 3.005 20 0 CGADHO Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)c2ccccc2n1 ZINC000229601368 274719851 /nfs/dbraw/zinc/71/98/51/274719851.db2.gz NIGARJLACZKAAG-OCCSQVGLSA-N 1 3 255.365 3.096 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CCC[C@H]1C1CC1 ZINC000414184462 275395555 /nfs/dbraw/zinc/39/55/55/275395555.db2.gz FUUVJKXYVHILKC-VQHPVUNQSA-N 1 3 262.441 3.029 20 0 CGADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000251368154 287833250 /nfs/dbraw/zinc/83/32/50/287833250.db2.gz WQPSTRNGMOVOOT-FXUDXRNXSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)c1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423049350 275752313 /nfs/dbraw/zinc/75/23/13/275752313.db2.gz JQNPUAVGNHDFEW-RHSMWYFYSA-N 1 3 260.425 3.288 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000414983385 275853268 /nfs/dbraw/zinc/85/32/68/275853268.db2.gz ZOPXLUDJSIFWSF-OAHLLOKOSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439984 276000586 /nfs/dbraw/zinc/00/05/86/276000586.db2.gz ABRZKCQCVOPNRY-TWMKSMIVSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439984 276000588 /nfs/dbraw/zinc/00/05/88/276000588.db2.gz ABRZKCQCVOPNRY-TWMKSMIVSA-N 1 3 298.540 3.474 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CS1 ZINC000488439984 276000589 /nfs/dbraw/zinc/00/05/89/276000589.db2.gz ABRZKCQCVOPNRY-TWMKSMIVSA-N 1 3 298.540 3.474 20 0 CGADHO CC(CN1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528291 276093476 /nfs/dbraw/zinc/09/34/76/276093476.db2.gz YUQKIOVSWBJODW-XSLAGTTESA-N 1 3 276.468 3.371 20 0 CGADHO CC(CN1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528291 276093477 /nfs/dbraw/zinc/09/34/77/276093477.db2.gz YUQKIOVSWBJODW-XSLAGTTESA-N 1 3 276.468 3.371 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000414969745 276137795 /nfs/dbraw/zinc/13/77/95/276137795.db2.gz JKAMLAUUDHHUHJ-HNNXBMFYSA-N 1 3 252.446 3.325 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572572 276225119 /nfs/dbraw/zinc/22/51/19/276225119.db2.gz UZWYOUDUBFMRKG-ZNMIVQPWSA-N 1 3 288.426 3.474 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCCC2(F)F)[C@@H](C)C1 ZINC000450572572 276225121 /nfs/dbraw/zinc/22/51/21/276225121.db2.gz UZWYOUDUBFMRKG-ZNMIVQPWSA-N 1 3 288.426 3.474 20 0 CGADHO CCS[C@@H]1CCC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422820984 276398510 /nfs/dbraw/zinc/39/85/10/276398510.db2.gz TXVVZBGYBJQGJQ-BYNSBNAKSA-N 1 3 270.486 3.171 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423041168 277735519 /nfs/dbraw/zinc/73/55/19/277735519.db2.gz WGZPLLSFPXTPOJ-YXMPFFBPSA-N 1 3 284.831 3.131 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C1(c2ccccc2)CCCC1 ZINC000423204785 278261777 /nfs/dbraw/zinc/26/17/77/278261777.db2.gz DVOVRUBUCACCKW-DLBZAZTESA-N 1 3 286.463 3.476 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCNCC1)[C@@H](C)C1CCCCC1 ZINC000422831654 278281416 /nfs/dbraw/zinc/28/14/16/278281416.db2.gz XASVAJGQSZMTFZ-YCPHGPKFSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@]2(C)CCCO2)CC1 ZINC000167089340 278335311 /nfs/dbraw/zinc/33/53/11/278335311.db2.gz VTGUGHUPKKKHEB-SZMVWBNQSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000167089340 278335313 /nfs/dbraw/zinc/33/53/13/278335313.db2.gz VTGUGHUPKKKHEB-SZMVWBNQSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423123196 278562134 /nfs/dbraw/zinc/56/21/34/278562134.db2.gz DKSSHZGLOMQEBF-MCIONIFRSA-N 1 3 274.399 3.180 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@@H]3CCNCC[C@H]3C)cn(C)c2c1 ZINC000423055017 288063061 /nfs/dbraw/zinc/06/30/61/288063061.db2.gz CRSRLNMPAIUIDV-CRAIPNDOSA-N 1 3 299.462 3.007 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000423359944 288068809 /nfs/dbraw/zinc/06/88/09/288068809.db2.gz DROKZTMVKHFJBF-ZNMIVQPWSA-N 1 3 250.361 3.136 20 0 CGADHO Cc1cc(NC2CC([NH+]3CCCCC3)C2)c2ccccc2n1 ZINC000480810856 288109270 /nfs/dbraw/zinc/10/92/70/288109270.db2.gz GPTNGVPTRGXUMI-UHFFFAOYSA-N 1 3 295.430 3.394 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)CN1CCCC1 ZINC000251838059 279350387 /nfs/dbraw/zinc/35/03/87/279350387.db2.gz NYLPVYHSOCAPMN-KLHDSHLOSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438212246 279382039 /nfs/dbraw/zinc/38/20/39/279382039.db2.gz HFCDMVZYMUZSJG-ZBFHGGJFSA-N 1 3 290.426 3.363 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000438212246 279382042 /nfs/dbraw/zinc/38/20/42/279382042.db2.gz HFCDMVZYMUZSJG-ZBFHGGJFSA-N 1 3 290.426 3.363 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168924 288133864 /nfs/dbraw/zinc/13/38/64/288133864.db2.gz UTCBYNDHNVWCIS-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168924 288133865 /nfs/dbraw/zinc/13/38/65/288133865.db2.gz UTCBYNDHNVWCIS-DOTOQJQBSA-N 1 3 284.403 3.349 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000237666995 288159245 /nfs/dbraw/zinc/15/92/45/288159245.db2.gz ZCWZYKLVZYTTEM-IYBDPMFKSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CC3)CC2)C[C@H](C)O1 ZINC000362923558 288159705 /nfs/dbraw/zinc/15/97/05/288159705.db2.gz KINKEKQOLLNONW-IYBDPMFKSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000178038600 288161611 /nfs/dbraw/zinc/16/16/11/288161611.db2.gz BPVIOYJZTISAJQ-NXOAAHMSSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C)c2ccccc21 ZINC000423391766 280032566 /nfs/dbraw/zinc/03/25/66/280032566.db2.gz LAKUMGPWVGJPRI-RNJTYBCJSA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414170681 280325695 /nfs/dbraw/zinc/32/56/95/280325695.db2.gz CCGDHDYOPQBROE-YOEHRIQHSA-N 1 3 293.430 3.239 20 0 CGADHO CC(C)[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000414170681 280325697 /nfs/dbraw/zinc/32/56/97/280325697.db2.gz CCGDHDYOPQBROE-YOEHRIQHSA-N 1 3 293.430 3.239 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537789 288260189 /nfs/dbraw/zinc/26/01/89/288260189.db2.gz VIZWWWARSOCHPS-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537789 288260191 /nfs/dbraw/zinc/26/01/91/288260191.db2.gz VIZWWWARSOCHPS-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537789 288260193 /nfs/dbraw/zinc/26/01/93/288260193.db2.gz VIZWWWARSOCHPS-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC000529537789 288260194 /nfs/dbraw/zinc/26/01/94/288260194.db2.gz VIZWWWARSOCHPS-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CC(C)CC[NH+]1CCC(CNCc2ccc(F)cn2)CC1 ZINC000529539271 288260969 /nfs/dbraw/zinc/26/09/69/288260969.db2.gz DIXNXPLCCDCKBA-UHFFFAOYSA-N 1 3 293.430 3.068 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)C1CC(F)(F)C1)N1CCCCC1 ZINC000529541419 288261806 /nfs/dbraw/zinc/26/18/06/288261806.db2.gz LBNXJOWUFDUORZ-CHWSQXEVSA-N 1 3 274.399 3.274 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449642721 281006011 /nfs/dbraw/zinc/00/60/11/281006011.db2.gz XRQKESNTMHCIRM-DKIMLUQUSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000449642721 281006013 /nfs/dbraw/zinc/00/60/13/281006013.db2.gz XRQKESNTMHCIRM-DKIMLUQUSA-N 1 3 296.499 3.169 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000423029306 281123449 /nfs/dbraw/zinc/12/34/49/281123449.db2.gz UOMCYZORHAWUOS-DJIMGWMZSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)CCC2 ZINC000423029306 281123453 /nfs/dbraw/zinc/12/34/53/281123453.db2.gz UOMCYZORHAWUOS-DJIMGWMZSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c(CC[NH2+][C@@H]3CCCC[C@H]3CN)c[nH]c21 ZINC000422782697 281266115 /nfs/dbraw/zinc/26/61/15/281266115.db2.gz LZWSXPYKAKWUBW-WMLDXEAASA-N 1 3 285.435 3.126 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423395363 281303663 /nfs/dbraw/zinc/30/36/63/281303663.db2.gz SPNZKQCLGPCJAS-KQTLUZQSSA-N 1 3 258.409 3.273 20 0 CGADHO Clc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532449508 288361499 /nfs/dbraw/zinc/36/14/99/288361499.db2.gz KXPVQLWJPMNCFU-SJCJKPOMSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532449508 288361500 /nfs/dbraw/zinc/36/15/00/288361500.db2.gz KXPVQLWJPMNCFU-SJCJKPOMSA-N 1 3 290.838 3.401 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000554072813 289255133 /nfs/dbraw/zinc/25/51/33/289255133.db2.gz UGPMZYLIPYFTSP-LJISPDSOSA-N 1 3 252.446 3.274 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000449168778 289309491 /nfs/dbraw/zinc/30/94/91/289309491.db2.gz FGMDAXPVRARHBV-ZNMIVQPWSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000554875171 289315968 /nfs/dbraw/zinc/31/59/68/289315968.db2.gz VHGZTHFREHOBLA-OIISXLGYSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc2c(s1)CCCC2 ZINC000423399069 290020211 /nfs/dbraw/zinc/02/02/11/290020211.db2.gz PIMUVBUGNGUZRE-SGMGOOAPSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](C[NH3+])C1 ZINC000050245170 290224851 /nfs/dbraw/zinc/22/48/51/290224851.db2.gz NRRPSGBCPCNJRP-GHMZBOCLSA-N 1 3 272.314 3.047 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252881471 290248213 /nfs/dbraw/zinc/24/82/13/290248213.db2.gz YSTFKWFSSWBTEG-SHPPOPEUSA-N 1 3 278.827 3.460 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCC12CCC2 ZINC000337411592 290388155 /nfs/dbraw/zinc/38/81/55/290388155.db2.gz WGNWIRDEWCRXBZ-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000423090100 290600973 /nfs/dbraw/zinc/60/09/73/290600973.db2.gz WVNQQFGYDCAVEP-JCURWCKSSA-N 1 3 276.399 3.181 20 0 CGADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NCCC(C)(C)C)cc1 ZINC000414877435 295225442 /nfs/dbraw/zinc/22/54/42/295225442.db2.gz FXESEEWWVPXIOL-DLBZAZTESA-N 1 3 290.451 3.167 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000037074633 295236263 /nfs/dbraw/zinc/23/62/63/295236263.db2.gz HHDMTSJTPLGOHH-PRTUASRFSA-N 1 3 292.398 3.110 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423133532 295250940 /nfs/dbraw/zinc/25/09/40/295250940.db2.gz QJLRHWMWLFDLKM-MELADBBJSA-N 1 3 274.399 3.309 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000423047648 295268458 /nfs/dbraw/zinc/26/84/58/295268458.db2.gz HKNKMFYPBXMFMV-HZPDHXFCSA-N 1 3 250.430 3.374 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000093215974 295306394 /nfs/dbraw/zinc/30/63/94/295306394.db2.gz MCBAEONAQKFKOT-CHWSQXEVSA-N 1 3 272.314 3.065 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414942757 297108088 /nfs/dbraw/zinc/10/80/88/297108088.db2.gz MWXOYKZLPNMDEM-VZEFYGNVSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CCN1 ZINC000414951008 297449776 /nfs/dbraw/zinc/44/97/76/297449776.db2.gz PKPBDSCXXKHSND-DZUCGIPZSA-N 1 3 258.409 3.053 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000564823095 322044829 /nfs/dbraw/zinc/04/48/29/322044829.db2.gz RGLRKJXSNBGWMD-FRRDWIJNSA-N 1 3 292.389 3.475 20 0 CGADHO CCCCCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000565657737 322085573 /nfs/dbraw/zinc/08/55/73/322085573.db2.gz GIZQGBVBIUVSMU-HUUCEWRRSA-N 1 3 278.440 3.471 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000566748476 322137119 /nfs/dbraw/zinc/13/71/19/322137119.db2.gz KUJJVAVGYFDDGG-LSDHHAIUSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](NCCC[NH2+]C(C)C)CC3 ZINC000567639328 322171505 /nfs/dbraw/zinc/17/15/05/322171505.db2.gz HGCLRQLRHMVYDL-OAHLLOKOSA-N 1 3 299.462 3.311 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCNC(C)C)CC3 ZINC000567639328 322171508 /nfs/dbraw/zinc/17/15/08/322171508.db2.gz HGCLRQLRHMVYDL-OAHLLOKOSA-N 1 3 299.462 3.311 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2c1cccc2Cl ZINC000567639050 322171600 /nfs/dbraw/zinc/17/16/00/322171600.db2.gz ODJGODRGUYPVMT-KNXALSJPSA-N 1 3 278.827 3.434 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2F)c2ccccc21 ZINC000567642446 322171826 /nfs/dbraw/zinc/17/18/26/322171826.db2.gz BHHWGKDRAABRLK-SJORKVTESA-N 1 3 288.341 3.242 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCCNC1 ZINC000569106401 322235034 /nfs/dbraw/zinc/23/50/34/322235034.db2.gz XXSMNWWMQOUWBV-XOYOTBSWSA-N 1 3 272.436 3.300 20 0 CGADHO Fc1ccc(/C=C/CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000569606031 322251828 /nfs/dbraw/zinc/25/18/28/322251828.db2.gz ZCJJURKEQPUWKU-WZHGYECESA-N 1 3 288.410 3.160 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000569712882 322255056 /nfs/dbraw/zinc/25/50/56/322255056.db2.gz HCEIJLIXRNVKID-ALKVMWCTSA-N 1 3 276.468 3.308 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCC(F)(F)C2)C1 ZINC000569745338 322256014 /nfs/dbraw/zinc/25/60/14/322256014.db2.gz UORNBZLHSLVOMJ-YNEHKIRRSA-N 1 3 260.372 3.062 20 0 CGADHO CC(C)c1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000572224057 322326002 /nfs/dbraw/zinc/32/60/02/322326002.db2.gz GKNUNWAUMYLODL-KRWDZBQOSA-N 1 3 260.425 3.084 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000572224057 322326004 /nfs/dbraw/zinc/32/60/04/322326004.db2.gz GKNUNWAUMYLODL-KRWDZBQOSA-N 1 3 260.425 3.084 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNCC2 ZINC000572847613 322358090 /nfs/dbraw/zinc/35/80/90/322358090.db2.gz JFKLVCFOQPFREZ-PBHICJAKSA-N 1 3 258.409 3.001 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2cc3ccccc3s2)C1 ZINC000573338821 322383437 /nfs/dbraw/zinc/38/34/37/322383437.db2.gz ZYGIJZOHQDMTFB-KBPBESRZSA-N 1 3 274.433 3.303 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2cc3ccccc3s2)C1 ZINC000573338821 322383439 /nfs/dbraw/zinc/38/34/39/322383439.db2.gz ZYGIJZOHQDMTFB-KBPBESRZSA-N 1 3 274.433 3.303 20 0 CGADHO CCN1CC[C@@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000395167381 329278039 /nfs/dbraw/zinc/27/80/39/329278039.db2.gz XLBBZVSTFILALN-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000582861624 329278085 /nfs/dbraw/zinc/27/80/85/329278085.db2.gz PFQQFDUQKZRKNV-OWCLPIDISA-N 1 3 252.446 3.131 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000583884472 329525904 /nfs/dbraw/zinc/52/59/04/329525904.db2.gz SBGJHDKTWQJXLP-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CCN[C@H]1C[C@@H](C)O[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000379620105 330142985 /nfs/dbraw/zinc/14/29/85/330142985.db2.gz CPZVKTVLFQGBNF-CBZIJGRNSA-N 1 3 290.451 3.053 20 0 CGADHO C[C@H](CCN[C@H]1C[C@@H](C)O[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379620105 330142986 /nfs/dbraw/zinc/14/29/86/330142986.db2.gz CPZVKTVLFQGBNF-CBZIJGRNSA-N 1 3 290.451 3.053 20 0 CGADHO C/C(=C/c1ccccc1)CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000580483876 330256801 /nfs/dbraw/zinc/25/68/01/330256801.db2.gz VCFVYBUMCRMHMN-SKHUITFRSA-N 1 3 272.436 3.362 20 0 CGADHO C/C(=C/c1ccccc1)CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000580483876 330256803 /nfs/dbraw/zinc/25/68/03/330256803.db2.gz VCFVYBUMCRMHMN-SKHUITFRSA-N 1 3 272.436 3.362 20 0 CGADHO [NH3+][C@H]1C[C@H](NCCc2cccc3[nH]ccc32)c2ccccc21 ZINC000576338155 335191133 /nfs/dbraw/zinc/19/11/33/335191133.db2.gz UQMKNBZUHDDHGP-HKUYNNGSSA-N 1 3 291.398 3.445 20 0 CGADHO Cc1c[nH+]ccc1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000580688342 335323371 /nfs/dbraw/zinc/32/33/71/335323371.db2.gz NXASAPRDAKIJDL-MRXNPFEDSA-N 1 3 289.810 3.180 20 0 CGADHO Cc1ccccc1[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000577626487 335381461 /nfs/dbraw/zinc/38/14/61/335381461.db2.gz HLEPVJKYCWZPJL-ZMSDIMECSA-N 1 3 258.409 3.306 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000581142719 336015422 /nfs/dbraw/zinc/01/54/22/336015422.db2.gz BTORCGIBSJJKRZ-INIZCTEOSA-N 1 3 292.467 3.290 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000581142719 336015423 /nfs/dbraw/zinc/01/54/23/336015423.db2.gz BTORCGIBSJJKRZ-INIZCTEOSA-N 1 3 292.467 3.290 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000581489419 336088583 /nfs/dbraw/zinc/08/85/83/336088583.db2.gz XJHJTCGSSOWOTP-QWRGUYRKSA-N 1 3 272.795 3.127 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCCc1c(F)cccc1Cl ZINC000581489419 336088585 /nfs/dbraw/zinc/08/85/85/336088585.db2.gz XJHJTCGSSOWOTP-QWRGUYRKSA-N 1 3 272.795 3.127 20 0 CGADHO C(CNC1CC1)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000382602941 336095009 /nfs/dbraw/zinc/09/50/09/336095009.db2.gz SUYKNVMPAJDBMU-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC(C)(C)N1 ZINC000385519413 336150771 /nfs/dbraw/zinc/15/07/71/336150771.db2.gz ZAEXKFYJWBUQFC-IACUBPJLSA-N 1 3 250.430 3.074 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000339413423 519345977 /nfs/dbraw/zinc/34/59/77/519345977.db2.gz NBGFLQLPWQPQKN-NVXWUHKLSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000339413423 519345988 /nfs/dbraw/zinc/34/59/88/519345988.db2.gz NBGFLQLPWQPQKN-NVXWUHKLSA-N 1 3 260.425 3.097 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1Br ZINC000424366118 533719405 /nfs/dbraw/zinc/71/94/05/533719405.db2.gz IJDWIKAWWVYFGM-ZIAGYGMSSA-N 1 3 297.240 3.117 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000037643759 521717493 /nfs/dbraw/zinc/71/74/93/521717493.db2.gz VNMUJCVNCNYMGA-CYBMUJFWSA-N 1 3 286.341 3.137 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423295562 533771314 /nfs/dbraw/zinc/77/13/14/533771314.db2.gz FFFURSYWTSZZDN-IINYFYTJSA-N 1 3 297.240 3.085 20 0 CGADHO C[C@H](NCC1([NH3+])CCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423328590 533836579 /nfs/dbraw/zinc/83/65/79/533836579.db2.gz NYPJFWBXLSBOCR-NEPJUHHUSA-N 1 3 266.816 3.303 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423327731 533890578 /nfs/dbraw/zinc/89/05/78/533890578.db2.gz DFWXIQMZQZPYSV-DKIMLUQUSA-N 1 3 272.436 3.158 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176064 533964742 /nfs/dbraw/zinc/96/47/42/533964742.db2.gz HJCSRQIQLKGCIZ-RTWAVKEYSA-N 1 3 296.817 3.407 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176064 533964748 /nfs/dbraw/zinc/96/47/48/533964748.db2.gz HJCSRQIQLKGCIZ-RTWAVKEYSA-N 1 3 296.817 3.407 20 0 CGADHO C[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)c1cc(F)cc(F)c1 ZINC000449090691 534058284 /nfs/dbraw/zinc/05/82/84/534058284.db2.gz OGLXDIWGZRGDJS-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H](CNC[C@H](C)C[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000449090691 534058287 /nfs/dbraw/zinc/05/82/87/534058287.db2.gz OGLXDIWGZRGDJS-KBPBESRZSA-N 1 3 296.405 3.390 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422891751 534069688 /nfs/dbraw/zinc/06/96/88/534069688.db2.gz WJMMUQUCESBZKW-PBHICJAKSA-N 1 3 285.435 3.078 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCCCC1(F)F ZINC000423145941 534180215 /nfs/dbraw/zinc/18/02/15/534180215.db2.gz NEEAHVJEAYCITE-NUEKZKHPSA-N 1 3 296.405 3.360 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102424098 519862411 /nfs/dbraw/zinc/86/24/11/519862411.db2.gz XJUZWYAZGXWOLQ-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO CCC[N@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102424098 519862413 /nfs/dbraw/zinc/86/24/13/519862413.db2.gz XJUZWYAZGXWOLQ-QIPRVMPFSA-N 1 3 272.436 3.411 20 0 CGADHO c1ccc(C2CCC([NH2+]CCCNC3CC3)CC2)cc1 ZINC000415072325 534483314 /nfs/dbraw/zinc/48/33/14/534483314.db2.gz WDVIOUCBLHYGAH-UHFFFAOYSA-N 1 3 272.436 3.445 20 0 CGADHO Clc1cccc([C@H]2CCC[C@H]([NH2+]CC3CNC3)C2)c1 ZINC000423317299 534648161 /nfs/dbraw/zinc/64/81/61/534648161.db2.gz KGNKHFSBCCXHOU-HOCLYGCPSA-N 1 3 278.827 3.175 20 0 CGADHO Clc1cccc([C@H]2CCC[C@H](NCC3C[NH2+]C3)C2)c1 ZINC000423317299 534648168 /nfs/dbraw/zinc/64/81/68/534648168.db2.gz KGNKHFSBCCXHOU-HOCLYGCPSA-N 1 3 278.827 3.175 20 0 CGADHO Clc1ccccc1C[C@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000423359037 534652188 /nfs/dbraw/zinc/65/21/88/534652188.db2.gz ORUVCSDCBAAWMU-WBVHZDCISA-N 1 3 292.854 3.393 20 0 CGADHO CC[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712028 522927917 /nfs/dbraw/zinc/92/79/17/522927917.db2.gz GGLIUTLUCSLARH-FRFSOERESA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712028 522927923 /nfs/dbraw/zinc/92/79/23/522927923.db2.gz GGLIUTLUCSLARH-FRFSOERESA-N 1 3 276.424 3.219 20 0 CGADHO Cc1cccc(CC[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000449263122 534692041 /nfs/dbraw/zinc/69/20/41/534692041.db2.gz GTNBUCCEZLXSKU-UHFFFAOYSA-N 1 3 272.436 3.098 20 0 CGADHO Cc1cccc(CC[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000449263122 534692047 /nfs/dbraw/zinc/69/20/47/534692047.db2.gz GTNBUCCEZLXSKU-UHFFFAOYSA-N 1 3 272.436 3.098 20 0 CGADHO C[C@@H](CN1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277538429 524613441 /nfs/dbraw/zinc/61/34/41/524613441.db2.gz QFIFGFIHEGKWDQ-WMLDXEAASA-N 1 3 278.415 3.345 20 0 CGADHO C[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538429 524613454 /nfs/dbraw/zinc/61/34/54/524613454.db2.gz QFIFGFIHEGKWDQ-WMLDXEAASA-N 1 3 278.415 3.345 20 0 CGADHO C[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)c1ccc(F)cc1 ZINC000277538429 524613461 /nfs/dbraw/zinc/61/34/61/524613461.db2.gz QFIFGFIHEGKWDQ-WMLDXEAASA-N 1 3 278.415 3.345 20 0 CGADHO Cc1ccc(F)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000157032326 524848917 /nfs/dbraw/zinc/84/89/17/524848917.db2.gz LKTXICVFWRHSTR-KRWDZBQOSA-N 1 3 276.399 3.098 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@@]2(C)CC[NH2+]C2)c1C ZINC000261744273 524850271 /nfs/dbraw/zinc/85/02/71/524850271.db2.gz IZJBZTPEQKLLNX-ROUUACIJSA-N 1 3 272.436 3.440 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]CCCCCO)CC1 ZINC000449291542 527647473 /nfs/dbraw/zinc/64/74/73/527647473.db2.gz MHKJKXFQFKJTNS-UHFFFAOYSA-N 1 3 298.515 3.418 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCCCO)CC1 ZINC000449291542 527647466 /nfs/dbraw/zinc/64/74/66/527647466.db2.gz MHKJKXFQFKJTNS-UHFFFAOYSA-N 1 3 298.515 3.418 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000176283481 527847799 /nfs/dbraw/zinc/84/77/99/527847799.db2.gz CEVFCDRLMMKMOA-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000176283481 527847802 /nfs/dbraw/zinc/84/78/02/527847802.db2.gz CEVFCDRLMMKMOA-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283481 527847807 /nfs/dbraw/zinc/84/78/07/527847807.db2.gz CEVFCDRLMMKMOA-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000176283481 527847808 /nfs/dbraw/zinc/84/78/08/527847808.db2.gz CEVFCDRLMMKMOA-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CC1(C)[C@H]([NH2+]CCCNC2CC2)C[C@@H]1c1ccccc1 ZINC000423561687 527868346 /nfs/dbraw/zinc/86/83/46/527868346.db2.gz PYBIBYQUAAENOG-IAGOWNOFSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H](NCCC[NH2+]C2CC2)C[C@@H]1c1ccccc1 ZINC000423561687 527868354 /nfs/dbraw/zinc/86/83/54/527868354.db2.gz PYBIBYQUAAENOG-IAGOWNOFSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1Oc1ccccc1 ZINC000424375795 527874690 /nfs/dbraw/zinc/87/46/90/527874690.db2.gz OANRVLIKLIARGW-VQHPVUNQSA-N 1 3 288.435 3.092 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000423372575 527875387 /nfs/dbraw/zinc/87/53/87/527875387.db2.gz RDIOTBYMXPQFKX-SRABZTEZSA-N 1 3 288.435 3.092 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@H]1c1ccccc1 ZINC000423398185 527876289 /nfs/dbraw/zinc/87/62/89/527876289.db2.gz UDXDIBMIUJJMAH-VVLHAWIVSA-N 1 3 272.436 3.428 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423398185 527876293 /nfs/dbraw/zinc/87/62/93/527876293.db2.gz UDXDIBMIUJJMAH-VVLHAWIVSA-N 1 3 272.436 3.428 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423340528 527884623 /nfs/dbraw/zinc/88/46/23/527884623.db2.gz XIUORQNQJIOECI-CVEARBPZSA-N 1 3 258.409 3.342 20 0 CGADHO CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423367447 528067171 /nfs/dbraw/zinc/06/71/71/528067171.db2.gz MLSMCNKSMHTPPN-NORZTCDRSA-N 1 3 282.378 3.189 20 0 CGADHO CC(C)c1ccc2c(c1)[C@@H](NC[C@H]1CC[NH2+]C1)CCC2 ZINC000423333587 528150856 /nfs/dbraw/zinc/15/08/56/528150856.db2.gz HUUSBSOSDQWBQO-KSSFIOAISA-N 1 3 272.436 3.387 20 0 CGADHO CCC[NH+]1CCC(CNCc2cccc(C)c2F)CC1 ZINC000449131320 528188528 /nfs/dbraw/zinc/18/85/28/528188528.db2.gz LVCKXDCEUYTBKD-UHFFFAOYSA-N 1 3 278.415 3.346 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H](N)C(C)C)c1cccs1 ZINC000423282754 528360256 /nfs/dbraw/zinc/36/02/56/528360256.db2.gz WFBAQAQZSWMSGC-QWHCGFSZSA-N 1 3 254.443 3.408 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(F)c(F)c1 ZINC000425933521 528588713 /nfs/dbraw/zinc/58/87/13/528588713.db2.gz VAXYEWAXEZUWBZ-BLLLJJGKSA-N 1 3 284.394 3.449 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423373479 528726501 /nfs/dbraw/zinc/72/65/01/528726501.db2.gz HMVOBYXPMVBBTN-NUEKZKHPSA-N 1 3 276.424 3.396 20 0 CGADHO CCCC[C@@H](C[NH3+])N[C@@H](C)Cc1coc2ccccc12 ZINC000423302899 528820564 /nfs/dbraw/zinc/82/05/64/528820564.db2.gz WFNIOQMUIWYEMA-ZFWWWQNUSA-N 1 3 274.408 3.471 20 0 CGADHO CC[NH+]1CCC(CCNCc2cc(F)cc(OC)c2)CC1 ZINC000449175085 528968988 /nfs/dbraw/zinc/96/89/88/528968988.db2.gz ZTXOVCVSFBHRJG-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO CC(C)[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cc2ccccc2o1 ZINC000423452452 529126167 /nfs/dbraw/zinc/12/61/67/529126167.db2.gz WJMHSFHWKMENQK-HSMVNMDESA-N 1 3 260.381 3.455 20 0 CGADHO CCOc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)cc1F ZINC000486963487 535724726 /nfs/dbraw/zinc/72/47/26/535724726.db2.gz GOIOJHZJSBWEPW-HNNXBMFYSA-N 1 3 294.414 3.046 20 0 CGADHO CCc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000483494016 536170044 /nfs/dbraw/zinc/17/00/44/536170044.db2.gz TURGONXKWIICHT-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000483494016 536170051 /nfs/dbraw/zinc/17/00/51/536170051.db2.gz TURGONXKWIICHT-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483494016 536170054 /nfs/dbraw/zinc/17/00/54/536170054.db2.gz TURGONXKWIICHT-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483494016 536170056 /nfs/dbraw/zinc/17/00/56/536170056.db2.gz TURGONXKWIICHT-RBUKOAKNSA-N 1 3 286.463 3.208 20 0 CGADHO CSC1CC([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000926118741 618106278 /nfs/dbraw/zinc/10/62/78/618106278.db2.gz BSURXEZMSHBUEX-RNDNHVFHSA-N 1 3 282.497 3.123 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2(c3cccc(Cl)c3)CC2)C12CCC2 ZINC000925512275 619007567 /nfs/dbraw/zinc/00/75/67/619007567.db2.gz BVNXUFUYXKGOFF-CABCVRRESA-N 1 3 290.838 3.231 20 0 CGADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)[C@H]1CCCCS1 ZINC000925633977 619098171 /nfs/dbraw/zinc/09/81/71/619098171.db2.gz HMBBOHVRPLURDU-PMPSAXMXSA-N 1 3 282.497 3.030 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c(C)c1 ZINC000925776912 619240017 /nfs/dbraw/zinc/24/00/17/619240017.db2.gz AWOQFVNCNWQBHA-UONOGXRCSA-N 1 3 282.378 3.199 20 0 CGADHO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925783960 619246550 /nfs/dbraw/zinc/24/65/50/619246550.db2.gz QAQITVOGULYGAB-WFASDCNBSA-N 1 3 298.352 3.038 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000925803092 619255405 /nfs/dbraw/zinc/25/54/05/619255405.db2.gz VLLPACPWEKOYPE-RVSPLBMKSA-N 1 3 273.424 3.080 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261557310 619288691 /nfs/dbraw/zinc/28/86/91/619288691.db2.gz CNBMHKQSWWDWML-YIDVYQOGSA-N 1 3 252.446 3.035 20 0 CGADHO CC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000925839744 619289941 /nfs/dbraw/zinc/28/99/41/619289941.db2.gz DBAALFDTPQCHQC-GVDBMIGSSA-N 1 3 258.409 3.260 20 0 CGADHO CC(C)c1nc([C@@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000925881499 619306707 /nfs/dbraw/zinc/30/67/07/619306707.db2.gz BWRBJYQDUXERDT-UTUOFQBUSA-N 1 3 267.442 3.045 20 0 CGADHO C[C@H](CC[NH2+]C1CC(C)(c2ccccc2)C1)N(C)C ZINC000895293861 619798746 /nfs/dbraw/zinc/79/87/46/619798746.db2.gz SCSRHIBHLQRWBI-ODIFPOPNSA-N 1 3 260.425 3.037 20 0 CGADHO Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)s1 ZINC000895379967 619817284 /nfs/dbraw/zinc/81/72/84/619817284.db2.gz WTPLAIILQOCKJG-SWLSCSKDSA-N 1 3 295.496 3.312 20 0 CGADHO Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CN(C)C)s1 ZINC000895379967 619817287 /nfs/dbraw/zinc/81/72/87/619817287.db2.gz WTPLAIILQOCKJG-SWLSCSKDSA-N 1 3 295.496 3.312 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000897414479 620295938 /nfs/dbraw/zinc/29/59/38/620295938.db2.gz CYAQHXXCEKLBDE-IIAWOOMASA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000897414479 620295942 /nfs/dbraw/zinc/29/59/42/620295942.db2.gz CYAQHXXCEKLBDE-IIAWOOMASA-N 1 3 276.424 3.137 20 0 CGADHO Cc1noc(C)c1[C@@H](C)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000924688840 620563671 /nfs/dbraw/zinc/56/36/71/620563671.db2.gz VXFOWASZLCCCOO-UONOGXRCSA-N 1 3 293.455 3.454 20 0 CGADHO Cc1noc(C)c1[C@@H](C)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000924688840 620563673 /nfs/dbraw/zinc/56/36/73/620563673.db2.gz VXFOWASZLCCCOO-UONOGXRCSA-N 1 3 293.455 3.454 20 0 CGADHO CC[C@@H](CC(F)(F)F)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373167 621279262 /nfs/dbraw/zinc/27/92/62/621279262.db2.gz AUTWPZFPMCWPDG-WDEREUQCSA-N 1 3 266.351 3.085 20 0 CGADHO CCCNc1ccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902374788 621279344 /nfs/dbraw/zinc/27/93/44/621279344.db2.gz CVLLMEUKQHYWEO-KRWDZBQOSA-N 1 3 289.467 3.376 20 0 CGADHO C1CC12CCC[C@@H]([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C2 ZINC000902455269 621332616 /nfs/dbraw/zinc/33/26/16/621332616.db2.gz XTDNWTDBNSVPFU-IKGGRYGDSA-N 1 3 276.468 3.467 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](c1ccncc1)C1CC1 ZINC000902513409 621352008 /nfs/dbraw/zinc/35/20/08/621352008.db2.gz FYOLTUYXQQTYHL-FZKQIMNGSA-N 1 3 296.418 3.046 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902720306 621408564 /nfs/dbraw/zinc/40/85/64/621408564.db2.gz FXZTYVDCZPTTFK-ROUUACIJSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CCOC12CCCC2)C(C)C ZINC000903106519 621579625 /nfs/dbraw/zinc/57/96/25/621579625.db2.gz YTJVTAWGTUBLGI-INIZCTEOSA-N 1 3 282.472 3.187 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCC2(CC2)C1)c1cccnc1 ZINC000903379562 621722015 /nfs/dbraw/zinc/72/20/15/621722015.db2.gz YFGCTZLRPRIBDB-IAGOWNOFSA-N 1 3 287.451 3.387 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379986 621722583 /nfs/dbraw/zinc/72/25/83/621722583.db2.gz JKRCUAZOYJODJJ-PVAVHDDUSA-N 1 3 289.467 3.489 20 0 CGADHO CCOc1ccc([C@H]2CCCN2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903427308 621741578 /nfs/dbraw/zinc/74/15/78/621741578.db2.gz VJSJHJAYWWHCKS-UWWQBHOKSA-N 1 3 288.435 3.078 20 0 CGADHO C[C@@H]1c2cc(F)cc(F)c2CCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441265 621749839 /nfs/dbraw/zinc/74/98/39/621749839.db2.gz KEYNIXYMOBEBMR-WZRBSPASSA-N 1 3 280.362 3.011 20 0 CGADHO CCC[N@H+](Cc1ccc2cc[nH]c2c1)C1CCNCC1 ZINC000903444550 621756312 /nfs/dbraw/zinc/75/63/12/621756312.db2.gz CACIZOHIWPDFMA-UHFFFAOYSA-N 1 3 271.408 3.132 20 0 CGADHO CCC[N@@H+](Cc1ccc2cc[nH]c2c1)C1CCNCC1 ZINC000903444550 621756321 /nfs/dbraw/zinc/75/63/21/621756321.db2.gz CACIZOHIWPDFMA-UHFFFAOYSA-N 1 3 271.408 3.132 20 0 CGADHO CCCN(Cc1ccc2cc[nH]c2c1)C1CC[NH2+]CC1 ZINC000903444550 621756328 /nfs/dbraw/zinc/75/63/28/621756328.db2.gz CACIZOHIWPDFMA-UHFFFAOYSA-N 1 3 271.408 3.132 20 0 CGADHO C[C@@H](NC/C=C\Cl)c1cccc(C[NH+](C)C)c1 ZINC000903446553 621758566 /nfs/dbraw/zinc/75/85/66/621758566.db2.gz YLMDODNNJIOAMJ-VVEJJEBESA-N 1 3 252.789 3.151 20 0 CGADHO c1cc2ccc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454371 621761818 /nfs/dbraw/zinc/76/18/18/621761818.db2.gz ZCOYZZKLQRGLDN-FUHWJXTLSA-N 1 3 283.419 3.132 20 0 CGADHO [NH3+][C@@H]1CC[C@H](CN2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000903476689 621764359 /nfs/dbraw/zinc/76/43/59/621764359.db2.gz GHFJXMJFDVFMHI-XHDPSFHLSA-N 1 3 298.352 3.191 20 0 CGADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@H]1CC1CCCC1 ZINC000903931648 621834627 /nfs/dbraw/zinc/83/46/27/621834627.db2.gz HGICCDZTLPXEEM-STQMWFEESA-N 1 3 260.372 3.014 20 0 CGADHO C(CN[C@@H]1C[NH2+]CC2(CCOCC2)C1)CC1CCCCC1 ZINC000903970458 621843884 /nfs/dbraw/zinc/84/38/84/621843884.db2.gz XKZQGQTUHWESTM-KRWDZBQOSA-N 1 3 294.483 3.095 20 0 CGADHO CN(Cc1ccc(Cl)cc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304272 621901787 /nfs/dbraw/zinc/90/17/87/621901787.db2.gz XPAAAKLPMCFPCG-WVSHTKLVSA-N 1 3 273.207 3.163 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C(F)F)c(F)c2)C1 ZINC000904355321 621911159 /nfs/dbraw/zinc/91/11/59/621911159.db2.gz MNVSKZHRRBWXRG-GHMZBOCLSA-N 1 3 272.314 3.123 20 0 CGADHO CC[C@@H](OCCNC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904376082 621916556 /nfs/dbraw/zinc/91/65/56/621916556.db2.gz LXILQHFJFYUTOB-MSOLQXFVSA-N 1 3 290.451 3.134 20 0 CGADHO Cc1ccsc1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925479360 624475516 /nfs/dbraw/zinc/47/55/16/624475516.db2.gz GOQLPCCXFBTELF-GJZGRUSLSA-N 1 3 278.465 3.314 20 0 CGADHO C[NH+](C)CCOc1ccc(CNC(C)(C)/C=C/Cl)cc1 ZINC000922647892 626024659 /nfs/dbraw/zinc/02/46/59/626024659.db2.gz DOCIDSMMNVWKOL-MDZDMXLPSA-N 1 3 296.842 3.248 20 0 CGADHO COc1ccc(Cl)cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000839182207 626326136 /nfs/dbraw/zinc/32/61/36/626326136.db2.gz LJTHNOYHHMHKCJ-ZDUSSCGKSA-N 1 3 296.842 3.170 20 0 CGADHO COc1ccc(Cl)cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000839182207 626326137 /nfs/dbraw/zinc/32/61/37/626326137.db2.gz LJTHNOYHHMHKCJ-ZDUSSCGKSA-N 1 3 296.842 3.170 20 0 CGADHO CCCCC[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000765406749 627248461 /nfs/dbraw/zinc/24/84/61/627248461.db2.gz UPFUFUFYUOYCHK-ZACQAIPSSA-N 1 3 284.488 3.434 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623461 628115377 /nfs/dbraw/zinc/11/53/77/628115377.db2.gz QOFSBHOOMREHFF-ZIAGYGMSSA-N 1 3 283.419 3.303 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cc2ccccc2[nH]1 ZINC000775623461 628115378 /nfs/dbraw/zinc/11/53/78/628115378.db2.gz QOFSBHOOMREHFF-ZIAGYGMSSA-N 1 3 283.419 3.303 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292933 628479142 /nfs/dbraw/zinc/47/91/42/628479142.db2.gz OJFWNXMSOVUHGD-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCc3ccccc32)C1 ZINC000780292933 628479145 /nfs/dbraw/zinc/47/91/45/628479145.db2.gz OJFWNXMSOVUHGD-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292933 628479147 /nfs/dbraw/zinc/47/91/47/628479147.db2.gz OJFWNXMSOVUHGD-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780292933 628479150 /nfs/dbraw/zinc/47/91/50/628479150.db2.gz OJFWNXMSOVUHGD-SJLPKXTDSA-N 1 3 286.463 3.380 20 0 CGADHO CC(C)c1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000783315216 628702935 /nfs/dbraw/zinc/70/29/35/628702935.db2.gz AETKUIPPPYNUPA-GDBMZVCRSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000783315216 628702939 /nfs/dbraw/zinc/70/29/39/628702939.db2.gz AETKUIPPPYNUPA-GDBMZVCRSA-N 1 3 260.425 3.382 20 0 CGADHO CN1CC[C@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334709 629661782 /nfs/dbraw/zinc/66/17/82/629661782.db2.gz DTXFXKRKFRMHJZ-IRXDYDNUSA-N 1 3 290.838 3.355 20 0 CGADHO CN1CC[C@]2(CC[N@H+]([C@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334709 629661784 /nfs/dbraw/zinc/66/17/84/629661784.db2.gz DTXFXKRKFRMHJZ-IRXDYDNUSA-N 1 3 290.838 3.355 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2C)C1 ZINC000815560279 631795060 /nfs/dbraw/zinc/79/50/60/631795060.db2.gz CNCIEFSHILVUMD-KGLIPLIRSA-N 1 3 264.388 3.127 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000817893898 632230307 /nfs/dbraw/zinc/23/03/07/632230307.db2.gz HQJRBVRDMQFSSK-RYUDHWBXSA-N 1 3 263.429 3.182 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(Cl)nc1 ZINC000817902343 632232952 /nfs/dbraw/zinc/23/29/52/632232952.db2.gz OKYQSQSWPSIQND-HIFRSBDPSA-N 1 3 295.858 3.178 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000821372886 632759604 /nfs/dbraw/zinc/75/96/04/632759604.db2.gz AUGFQYFDIQZITK-ZJPYXAASSA-N 1 3 294.483 3.140 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000821372886 632759609 /nfs/dbraw/zinc/75/96/09/632759609.db2.gz AUGFQYFDIQZITK-ZJPYXAASSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@H](CCc1cccnc1)[NH2+]CCCN1CCC(C)CC1 ZINC000866217593 633032563 /nfs/dbraw/zinc/03/25/63/633032563.db2.gz GSHIMNALPDRMHF-QGZVFWFLSA-N 1 3 289.467 3.114 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872019766 633940586 /nfs/dbraw/zinc/94/05/86/633940586.db2.gz ZXMLNTDJZWGHHK-QGZVFWFLSA-N 1 3 294.483 3.190 20 0 CGADHO C(CN1CCC[C@@H](OC2CCC2)CC1)C[NH+]1CCCCC1 ZINC000872278902 634098394 /nfs/dbraw/zinc/09/83/94/634098394.db2.gz BFFGDZRKMNCKCP-GOSISDBHSA-N 1 3 294.483 3.286 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252953 634302401 /nfs/dbraw/zinc/30/24/01/634302401.db2.gz SXUJFRUBPFITBG-IGQOVBAYSA-N 1 3 290.373 3.238 20 0 CGADHO [NH3+]CCC[C@H](NCc1ccc(Cl)nc1)c1ccccc1 ZINC000841085814 635119726 /nfs/dbraw/zinc/11/97/26/635119726.db2.gz BTZFOMBCJFYBLB-HNNXBMFYSA-N 1 3 289.810 3.305 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cncc(Cl)c3)CC2)CC1 ZINC000877684272 635145391 /nfs/dbraw/zinc/14/53/91/635145391.db2.gz SBJNXGYXEXRWLX-UHFFFAOYSA-N 1 3 293.842 3.043 20 0 CGADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1C1CC1 ZINC000843054218 635551238 /nfs/dbraw/zinc/55/12/38/635551238.db2.gz SKUZEDZTVIMJCA-ALOPSCKCSA-N 1 3 270.420 3.408 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(Cl)nc1 ZINC000843343676 635651459 /nfs/dbraw/zinc/65/14/59/635651459.db2.gz CLQHGMNVGSFIHI-NSHDSACASA-N 1 3 275.783 3.045 20 0 CGADHO Cc1cncc([C@@H]2CCC[N@H+]2CC[C@H]2CCCN2C)c1 ZINC000879749749 635852722 /nfs/dbraw/zinc/85/27/22/635852722.db2.gz KYCNBXLUCWEOKG-SJORKVTESA-N 1 3 273.424 3.011 20 0 CGADHO Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCN2C)c1 ZINC000879749749 635852725 /nfs/dbraw/zinc/85/27/25/635852725.db2.gz KYCNBXLUCWEOKG-SJORKVTESA-N 1 3 273.424 3.011 20 0 CGADHO CC1([NH+]2CCC2)CCN(C[C@H]2CCc3ccccc32)CC1 ZINC000880473576 636007214 /nfs/dbraw/zinc/00/72/14/636007214.db2.gz IZGBASBBVVMLCV-QGZVFWFLSA-N 1 3 284.447 3.277 20 0 CGADHO CC[C@@H](NCCOCC[NH+](C)C)c1sccc1Cl ZINC000883217806 636591906 /nfs/dbraw/zinc/59/19/06/636591906.db2.gz OGZMYYUVAYZHDK-GFCCVEGCSA-N 1 3 290.860 3.020 20 0 CGADHO CC[C@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)N1CCCC1 ZINC000849060792 636735640 /nfs/dbraw/zinc/73/56/40/636735640.db2.gz QBQIUSZJWKVHDB-JKSUJKDBSA-N 1 3 296.503 3.190 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)CCCO2 ZINC000850422367 637055848 /nfs/dbraw/zinc/05/58/48/637055848.db2.gz NMCDVOLIXZKPDL-OAHLLOKOSA-N 1 3 288.435 3.148 20 0 CGADHO Fc1cccc(/C=C/C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000885924085 637314842 /nfs/dbraw/zinc/31/48/42/637314842.db2.gz GVGNYVFUICBTAC-UPXOEVQQSA-N 1 3 274.383 3.055 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)CN1CCCCC1 ZINC000222223952 637781345 /nfs/dbraw/zinc/78/13/45/637781345.db2.gz NVNJCZILMPECGO-HOTGVXAUSA-N 1 3 292.442 3.468 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000853248410 637794143 /nfs/dbraw/zinc/79/41/43/637794143.db2.gz GACMFEJKBSRRMW-CJNGLKHVSA-N 1 3 276.424 3.036 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000222937951 637835142 /nfs/dbraw/zinc/83/51/42/637835142.db2.gz KJQJHHVEJUOFJT-IVZWLZJFSA-N 1 3 258.818 3.322 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2ccccc2C(F)(F)F)C12CCC2 ZINC000925489913 638316836 /nfs/dbraw/zinc/31/68/36/638316836.db2.gz AWMJJXLVFQBNGE-KGLIPLIRSA-N 1 3 298.352 3.107 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C(C)C ZINC000925525144 638519254 /nfs/dbraw/zinc/51/92/54/638519254.db2.gz AIGDIXPZTKIPGE-KZNAEPCWSA-N 1 3 296.499 3.196 20 0 CGADHO CC(C)(C)CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925586550 638536918 /nfs/dbraw/zinc/53/69/18/638536918.db2.gz ZNQZAJXNOSUAGP-LSDHHAIUSA-N 1 3 252.446 3.181 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1CCCCS1 ZINC000925633976 638550435 /nfs/dbraw/zinc/55/04/35/638550435.db2.gz HMBBOHVRPLURDU-OWCLPIDISA-N 1 3 282.497 3.030 20 0 CGADHO C1[C@@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C12CCCC2 ZINC000925653770 638557838 /nfs/dbraw/zinc/55/78/38/638557838.db2.gz ZNHQCQNXALEGBU-HRCADAONSA-N 1 3 262.441 3.077 20 0 CGADHO CSC1(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCC1 ZINC000925656192 638557967 /nfs/dbraw/zinc/55/79/67/638557967.db2.gz ILADKXWYMAZVFV-GJZGRUSLSA-N 1 3 282.497 3.030 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3cccc(F)c3)C1)[NH2+]2 ZINC000925653907 638558245 /nfs/dbraw/zinc/55/82/45/638558245.db2.gz CARIBLFMEMZQFX-BLYMFVFMSA-N 1 3 288.410 3.190 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1(F)F ZINC000925709981 638575153 /nfs/dbraw/zinc/57/51/53/638575153.db2.gz XFILDFOOZGMOSU-MCIONIFRSA-N 1 3 286.410 3.036 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CC(F)F ZINC000925734276 638588033 /nfs/dbraw/zinc/58/80/33/638588033.db2.gz PUJSIIDOJUQAAO-UONOGXRCSA-N 1 3 288.426 3.426 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805472 638617156 /nfs/dbraw/zinc/61/71/56/638617156.db2.gz TZAKNGPZPKBFJW-NVXWUHKLSA-N 1 3 272.436 3.215 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1coc2ccccc12)CN(C)C ZINC000926469122 638774574 /nfs/dbraw/zinc/77/45/74/638774574.db2.gz FDDUSKXTSGIAHA-CHWSQXEVSA-N 1 3 260.381 3.281 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H](C1CC1)C(C)(C)C)c1cccnc1 ZINC000926895979 638822526 /nfs/dbraw/zinc/82/25/26/638822526.db2.gz CBTOKTCTSZFEBA-SJORKVTESA-N 1 3 289.467 3.489 20 0 CGADHO CCCC[N@H+](CCCCO)C1CC(C)(C)NC(C)(C)C1 ZINC000931033559 639101292 /nfs/dbraw/zinc/10/12/92/639101292.db2.gz IGHJZBQAMZVMGW-UHFFFAOYSA-N 1 3 284.488 3.170 20 0 CGADHO CCCC[N@@H+](CCCCO)C1CC(C)(C)NC(C)(C)C1 ZINC000931033559 639101296 /nfs/dbraw/zinc/10/12/96/639101296.db2.gz IGHJZBQAMZVMGW-UHFFFAOYSA-N 1 3 284.488 3.170 20 0 CGADHO C(CN1CCC([N@@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000931286054 639130743 /nfs/dbraw/zinc/13/07/43/639130743.db2.gz HNHQSSRZVIOKRD-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO C(CN1CCC([N@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000931286054 639130748 /nfs/dbraw/zinc/13/07/48/639130748.db2.gz HNHQSSRZVIOKRD-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@H]([NH2+]C(C)(C)CNC[C@@H]1CCC=CO1)c1ccccc1 ZINC000194439730 640532134 /nfs/dbraw/zinc/53/21/34/640532134.db2.gz HIYXEVDEJUZVCD-RDJZCZTQSA-N 1 3 288.435 3.398 20 0 CGADHO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc(N(C)C)ccn2)c1 ZINC001155339790 805574051 /nfs/dbraw/zinc/57/40/51/805574051.db2.gz VZXBHPMDNJBZEY-GFCCVEGCSA-N 1 3 280.375 3.111 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524618 806437882 /nfs/dbraw/zinc/43/78/82/806437882.db2.gz XXJZKVNRSKWOTB-SJLPKXTDSA-N 1 3 288.435 3.014 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001254524618 806437884 /nfs/dbraw/zinc/43/78/84/806437884.db2.gz XXJZKVNRSKWOTB-SJLPKXTDSA-N 1 3 288.435 3.014 20 0 CGADHO CCN(CC)Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1F ZINC001162402793 806577849 /nfs/dbraw/zinc/57/78/49/806577849.db2.gz AHNJVTWGGBRGOS-LSDHHAIUSA-N 1 3 293.430 3.349 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1-c1ccc([C@H](C)[NH3+])cc1 ZINC001162776671 806663295 /nfs/dbraw/zinc/66/32/95/806663295.db2.gz AAMIUYYBLDSESN-NWDGAFQWSA-N 1 3 280.375 3.065 20 0 CGADHO Cc1ccc(SC[C@H](C)NCCC[NH+](C)C)cc1 ZINC001255750997 806735997 /nfs/dbraw/zinc/73/59/97/806735997.db2.gz LHKBIQHSEHAMNC-AWEZNQCLSA-N 1 3 266.454 3.017 20 0 CGADHO CSCCCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395104936 799502263 /nfs/dbraw/zinc/50/22/63/799502263.db2.gz BWHATEXESOMICN-UONOGXRCSA-N 1 3 258.475 3.030 20 0 CGADHO Cc1ccccc1CN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688005537 799743860 /nfs/dbraw/zinc/74/38/60/799743860.db2.gz FCEJLZBYFPFVNP-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO CSCCCCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693741710 799814073 /nfs/dbraw/zinc/81/40/73/799814073.db2.gz RUKCUCWDDKLXJI-ZNMIVQPWSA-N 1 3 284.513 3.276 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000695701195 799832897 /nfs/dbraw/zinc/83/28/97/799832897.db2.gz SBJKYLGZXSSXJH-LSDHHAIUSA-N 1 3 250.430 3.064 20 0 CGADHO C[C@H](CC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC000697885821 799849747 /nfs/dbraw/zinc/84/97/47/799849747.db2.gz BBTUGDXKBCDFJE-LLVKDONJSA-N 1 3 256.340 3.054 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)N(C)C ZINC000697889871 799850375 /nfs/dbraw/zinc/85/03/75/799850375.db2.gz NCEGXJBQCHMNAP-UTUOFQBUSA-N 1 3 266.351 3.037 20 0 CGADHO CCc1ccccc1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700830269 799881036 /nfs/dbraw/zinc/88/10/36/799881036.db2.gz HQCPLSGDQINCDS-OAHLLOKOSA-N 1 3 260.425 3.071 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CCCC(C)(C)O ZINC001255947886 806794401 /nfs/dbraw/zinc/79/44/01/806794401.db2.gz YKWSLIZRZBUKRX-GJZGRUSLSA-N 1 3 272.477 3.026 20 0 CGADHO c1cc(C[NH+]2C3CCCC2CCC3)cc2c1CNC2 ZINC000707187911 799975256 /nfs/dbraw/zinc/97/52/56/799975256.db2.gz YRPTZXAOSJDHBW-UHFFFAOYSA-N 1 3 256.393 3.197 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC(C)(C)C2)CC(C)(C)C1 ZINC000708331070 799985290 /nfs/dbraw/zinc/98/52/90/799985290.db2.gz SSTQRWRGHRGHRW-MGPQQGTHSA-N 1 3 252.446 3.321 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708815892 799995273 /nfs/dbraw/zinc/99/52/73/799995273.db2.gz RYNVYNJUQNEELS-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708815892 799995279 /nfs/dbraw/zinc/99/52/79/799995279.db2.gz RYNVYNJUQNEELS-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709790864 800018515 /nfs/dbraw/zinc/01/85/15/800018515.db2.gz QSFHKFULHVBDFJ-CVEARBPZSA-N 1 3 252.446 3.278 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709790864 800018518 /nfs/dbraw/zinc/01/85/18/800018518.db2.gz QSFHKFULHVBDFJ-CVEARBPZSA-N 1 3 252.446 3.278 20 0 CGADHO C1C[C@]2(C[N@@H+]1C1CCCCCCC1)CCCNC2 ZINC000709792138 800018973 /nfs/dbraw/zinc/01/89/73/800018973.db2.gz XZHFNFPPUHBYFE-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO C1C[C@]2(C[N@H+]1C1CCCCCCC1)CCCNC2 ZINC000709792138 800018979 /nfs/dbraw/zinc/01/89/79/800018979.db2.gz XZHFNFPPUHBYFE-MRXNPFEDSA-N 1 3 250.430 3.175 20 0 CGADHO C1CC12CCC([N@@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC000710174650 800029883 /nfs/dbraw/zinc/02/98/83/800029883.db2.gz ZYWWAQBNQSBYNX-KRWDZBQOSA-N 1 3 262.441 3.175 20 0 CGADHO C1CC12CCC([N@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC000710174650 800029892 /nfs/dbraw/zinc/02/98/92/800029892.db2.gz ZYWWAQBNQSBYNX-KRWDZBQOSA-N 1 3 262.441 3.175 20 0 CGADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1c(F)cccc1F ZINC000715514924 800137574 /nfs/dbraw/zinc/13/75/74/800137574.db2.gz YYHOJTIWFDZHNO-HIFPTAJRSA-N 1 3 282.378 3.488 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000821991279 800458524 /nfs/dbraw/zinc/45/85/24/800458524.db2.gz SNUKILOEOJJOHR-WSKMQLBPSA-N 1 3 276.468 3.321 20 0 CGADHO C[C@@H]1c2c(F)cccc2CCN1CC1CC[NH+](C)CC1 ZINC000892048047 800565688 /nfs/dbraw/zinc/56/56/88/800565688.db2.gz GNPNUOXTBYKZNB-CYBMUJFWSA-N 1 3 276.399 3.087 20 0 CGADHO COC1CC[NH+](C2CCN([C@H](C)CCC(C)C)CC2)CC1 ZINC001256373972 806875825 /nfs/dbraw/zinc/87/58/25/806875825.db2.gz VUWOEJWJVUVVJH-MRXNPFEDSA-N 1 3 296.499 3.386 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001256571104 806920070 /nfs/dbraw/zinc/92/00/70/806920070.db2.gz CGVNBPZPVVJJJC-MRXNPFEDSA-N 1 3 287.451 3.134 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001256571104 806920075 /nfs/dbraw/zinc/92/00/75/806920075.db2.gz CGVNBPZPVVJJJC-MRXNPFEDSA-N 1 3 287.451 3.134 20 0 CGADHO Cc1c[nH+]c2ccccc2c1N1CCN(C(C)C)CC1 ZINC001116177699 802307086 /nfs/dbraw/zinc/30/70/86/802307086.db2.gz UNOCRVMKMFXTEB-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1cccnc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001116529967 802372105 /nfs/dbraw/zinc/37/21/05/802372105.db2.gz BMGXEQUPVLRMBG-HOTGVXAUSA-N 1 3 289.467 3.238 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC001200821076 811748413 /nfs/dbraw/zinc/74/84/13/811748413.db2.gz LTVBRGNPDSWHIT-FZZYSBJUSA-N 1 3 294.389 3.440 20 0 CGADHO Cc1nc(-c2cccc(OCC[NH+](C)C)c2)cc2[nH]ccc21 ZINC001243746909 802980420 /nfs/dbraw/zinc/98/04/20/802980420.db2.gz CGBUSLJWHHPEGI-UHFFFAOYSA-N 1 3 295.386 3.479 20 0 CGADHO C1=CC2(CC[NH2+]CC2)c2c1cccc2C1=CNCCC1 ZINC001243953489 803097631 /nfs/dbraw/zinc/09/76/31/803097631.db2.gz YUDXXROYRDKHDK-UHFFFAOYSA-N 1 3 266.388 3.059 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(Cl)nc2)CC1 ZINC001137166992 803692769 /nfs/dbraw/zinc/69/27/69/803692769.db2.gz QFHHAQKJWGPEIC-UHFFFAOYSA-N 1 3 295.858 3.287 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137376729 803725003 /nfs/dbraw/zinc/72/50/03/803725003.db2.gz OBWWDZMCEKDMOK-UHFFFAOYSA-N 1 3 277.456 3.086 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC001137686830 803758971 /nfs/dbraw/zinc/75/89/71/803758971.db2.gz UICAQLBCQFWTCL-UHFFFAOYSA-N 1 3 286.444 3.429 20 0 CGADHO CCN(CC)Cc1cccc(-c2ccncc2C[NH3+])c1F ZINC001245560587 803814243 /nfs/dbraw/zinc/81/42/43/803814243.db2.gz LVOHGVUHGJCPPP-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CC[C@H]1CC(NC2Cc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246073871 804112401 /nfs/dbraw/zinc/11/24/01/804112401.db2.gz LDAWDTVNNKBKNI-HOTGVXAUSA-N 1 3 272.436 3.053 20 0 CGADHO C[NH2+]CC[C@@H](C)N[C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC001246077605 804115907 /nfs/dbraw/zinc/11/59/07/804115907.db2.gz VOWGLNARIZSSBE-KBAYOESNSA-N 1 3 290.451 3.102 20 0 CGADHO C[C@@]1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246096772 804128624 /nfs/dbraw/zinc/12/86/24/804128624.db2.gz FYLLNRRPYYIUOU-IAGOWNOFSA-N 1 3 292.854 3.177 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+]C[C@@]1(O)CCCCNC1 ZINC001246099386 804132227 /nfs/dbraw/zinc/13/22/27/804132227.db2.gz UFNBNBDKMKQYAA-IAGOWNOFSA-N 1 3 284.488 3.220 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2cccc(OC)c2)C[C@H](CC)[NH2+]1 ZINC001246100785 804133305 /nfs/dbraw/zinc/13/33/05/804133305.db2.gz VBJRXYHLNDRDKK-BJWYYQGGSA-N 1 3 290.451 3.137 20 0 CGADHO Fc1cccc(F)c1CNC1CCC2(CC[NH2+]CC2)CC1 ZINC001246103370 804136926 /nfs/dbraw/zinc/13/69/26/804136926.db2.gz YSLJSUQWVBCCJB-UHFFFAOYSA-N 1 3 294.389 3.367 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)CCN1 ZINC001246110551 804141759 /nfs/dbraw/zinc/14/17/59/804141759.db2.gz MITNXPILCFSOBY-ZFWWWQNUSA-N 1 3 250.430 3.220 20 0 CGADHO CCc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC001246156693 804172693 /nfs/dbraw/zinc/17/26/93/804172693.db2.gz BSVFOMPGZXSTKT-BCDXTJNWSA-N 1 3 272.436 3.054 20 0 CGADHO CCC[C@H](CCc1ccccc1)NC[C@@]1(F)CCC[NH2+]C1 ZINC001246172485 804187856 /nfs/dbraw/zinc/18/78/56/804187856.db2.gz HJOZLHSFQFGOQY-QZTJIDSGSA-N 1 3 292.442 3.469 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C[C@H](C)N1 ZINC001246175313 804189869 /nfs/dbraw/zinc/18/98/69/804189869.db2.gz IKSVKIBTNPUBCX-YWVIFJGQSA-N 1 3 280.843 3.391 20 0 CGADHO CC[C@H]1CC(NCCSCc2ccco2)C[C@H](CC)[NH2+]1 ZINC001246178871 804192703 /nfs/dbraw/zinc/19/27/03/804192703.db2.gz KNRVYLOAANYOJG-KBPBESRZSA-N 1 3 296.480 3.412 20 0 CGADHO C[C@]1(N[C@@H]2CCC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246188156 804198839 /nfs/dbraw/zinc/19/88/39/804198839.db2.gz HSLJDFOPQKEYJO-KURKYZTESA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC001246192525 804202317 /nfs/dbraw/zinc/20/23/17/804202317.db2.gz SNUKILOEOJJOHR-DPIZWPKJSA-N 1 3 276.468 3.321 20 0 CGADHO COc1ccc2cc(CC[C@H](C)[NH2+]C[C@@H]3CCN3)ccc2c1 ZINC001246197783 804203025 /nfs/dbraw/zinc/20/30/25/804203025.db2.gz ANZIPXJRBXSTOP-KSSFIOAISA-N 1 3 298.430 3.121 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001246208063 804207420 /nfs/dbraw/zinc/20/74/20/804207420.db2.gz AWKJZZHSKOUMKR-HIFRSBDPSA-N 1 3 250.430 3.077 20 0 CGADHO F[C@@H]1CCNC[C@@H]1C[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246219636 804214037 /nfs/dbraw/zinc/21/40/37/804214037.db2.gz BWWDVUUXFLVEQX-BZUAXINKSA-N 1 3 282.447 3.417 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246223768 804217483 /nfs/dbraw/zinc/21/74/83/804217483.db2.gz VBHBGJZWCBUGHX-CQJMVSDSSA-N 1 3 250.430 3.075 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246233863 804226529 /nfs/dbraw/zinc/22/65/29/804226529.db2.gz BULJYDYBOCAVQZ-IAGOWNOFSA-N 1 3 290.451 3.356 20 0 CGADHO C(C[NH2+][C@H]1CCNC2(CCC2)C1)CC1CCCC1 ZINC001246241906 804233891 /nfs/dbraw/zinc/23/38/91/804233891.db2.gz ZQNMBCYBOFANML-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO CC[C@@H]1C[C@H](NCCCC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246267184 804245342 /nfs/dbraw/zinc/24/53/42/804245342.db2.gz RHJOCEWOZJJULS-FICVDOATSA-N 1 3 298.471 3.007 20 0 CGADHO CC[C@H]1CC(NCCCC(=O)OC(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246267187 804245538 /nfs/dbraw/zinc/24/55/38/804245538.db2.gz RHJOCEWOZJJULS-KBPBESRZSA-N 1 3 298.471 3.007 20 0 CGADHO CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC001246290948 804262786 /nfs/dbraw/zinc/26/27/86/804262786.db2.gz PJRVVXBABDGNAS-JKSUJKDBSA-N 1 3 264.388 3.399 20 0 CGADHO C[C@@H](CCN)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001246300918 804266389 /nfs/dbraw/zinc/26/63/89/804266389.db2.gz QDDMZTRKVMRKOR-OOHWJJMZSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H]1CC([NH2+]C(C)(C)Cc2ccccc2F)C[C@@H](C)N1 ZINC001246309275 804271379 /nfs/dbraw/zinc/27/13/79/804271379.db2.gz NXXXHMPIURCCCA-CHWSQXEVSA-N 1 3 278.415 3.265 20 0 CGADHO C[C@@H]1CC(NC(C)(C)Cc2ccccc2F)C[C@@H](C)[NH2+]1 ZINC001246309275 804271386 /nfs/dbraw/zinc/27/13/86/804271386.db2.gz NXXXHMPIURCCCA-CHWSQXEVSA-N 1 3 278.415 3.265 20 0 CGADHO COc1ccc2cccc(CC[NH2+][C@@H]3CCN[C@@H](C)C3)c2c1 ZINC001246317288 804277131 /nfs/dbraw/zinc/27/71/31/804277131.db2.gz WCHHLBWLXXLIOV-WMLDXEAASA-N 1 3 298.430 3.121 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(F)cc2F)C[C@H](CC)[NH2+]1 ZINC001246321088 804280494 /nfs/dbraw/zinc/28/04/94/804280494.db2.gz BQRJUXOIRSGKFU-MUJYYYPQSA-N 1 3 296.405 3.406 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CCN1 ZINC001246324324 804282276 /nfs/dbraw/zinc/28/22/76/804282276.db2.gz GWRKTALGQGZNLC-FKQYBKHCSA-N 1 3 284.447 3.299 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246330137 804286185 /nfs/dbraw/zinc/28/61/85/804286185.db2.gz VGANSJSPKUHJGM-NRSFXHEJSA-N 1 3 272.436 3.443 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]([NH2+][C@H]3CC34CCCC4)CCN2)cc1 ZINC001246337130 804291140 /nfs/dbraw/zinc/29/11/40/804291140.db2.gz WWYZQCCZQMYMDR-KSZLIROESA-N 1 3 284.447 3.272 20 0 CGADHO C[C@H]1CC([NH2+]CCCCc2ccccc2)C[C@H](C)N1 ZINC001246341767 804294571 /nfs/dbraw/zinc/29/45/71/804294571.db2.gz MIEBPWZMBXCROI-GJZGRUSLSA-N 1 3 260.425 3.128 20 0 CGADHO CCCCCCOC(=O)CCCCC[NH2+]C1CCNCC1 ZINC001246342518 804294622 /nfs/dbraw/zinc/29/46/22/804294622.db2.gz PWBWSOZHIPFQJC-UHFFFAOYSA-N 1 3 298.471 3.012 20 0 CGADHO [NH3+]CC1(N[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCC1 ZINC001246354573 804302560 /nfs/dbraw/zinc/30/25/60/804302560.db2.gz GTGMOKZWTWRNAX-LBPRGKRZSA-N 1 3 299.245 3.322 20 0 CGADHO CC(C)(CCN)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246366017 804306633 /nfs/dbraw/zinc/30/66/33/804306633.db2.gz WIWFNCWPPUNBMK-CVEARBPZSA-N 1 3 260.425 3.430 20 0 CGADHO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246373918 804310536 /nfs/dbraw/zinc/31/05/36/804310536.db2.gz RUCRMWVPMYKBEM-GDBMZVCRSA-N 1 3 260.425 3.046 20 0 CGADHO CCCC[C@H](C)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246377920 804312383 /nfs/dbraw/zinc/31/23/83/804312383.db2.gz SGEKXRCWZUNJAK-HNNXBMFYSA-N 1 3 290.451 3.442 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246387545 804317754 /nfs/dbraw/zinc/31/77/54/804317754.db2.gz HDEUFVQCWVROBB-IAGOWNOFSA-N 1 3 290.426 3.269 20 0 CGADHO CC1(C)C[C@H]([NH2+]C2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246387474 804318031 /nfs/dbraw/zinc/31/80/31/804318031.db2.gz FUTHXRDFUZGZMR-MRXNPFEDSA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246394076 804319347 /nfs/dbraw/zinc/31/93/47/804319347.db2.gz QWUQSRUACILWJQ-DLBZAZTESA-N 1 3 290.426 3.411 20 0 CGADHO COCCC1([NH2+]C(CC(C)C)CC(C)C)CCNCC1 ZINC001246395795 804320425 /nfs/dbraw/zinc/32/04/25/804320425.db2.gz XBPIJLDLOVARJC-UHFFFAOYSA-N 1 3 284.488 3.196 20 0 CGADHO Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246432982 804331923 /nfs/dbraw/zinc/33/19/23/804331923.db2.gz HGPPSVSKBYOTSJ-RDJZCZTQSA-N 1 3 274.452 3.294 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@H]2Cc3ccc(F)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246452686 804336769 /nfs/dbraw/zinc/33/67/69/804336769.db2.gz LTICBXBUOVAPJC-MHORFTMASA-N 1 3 290.426 3.192 20 0 CGADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246462811 804343354 /nfs/dbraw/zinc/34/33/54/804343354.db2.gz PKPBDSCXXKHSND-QSPRXWTASA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246462810 804343427 /nfs/dbraw/zinc/34/34/27/804343427.db2.gz PKPBDSCXXKHSND-PQEBFOHHSA-N 1 3 258.409 3.053 20 0 CGADHO C1=C[C@H](NC2CCC(Cc3ccccc3)CC2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001246474778 804350489 /nfs/dbraw/zinc/35/04/89/804350489.db2.gz BIWNZHQBBCVGHW-TUEWSUPBSA-N 1 3 296.458 3.152 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCCCNC1)c1cc(C)ccc1C ZINC001246477517 804354515 /nfs/dbraw/zinc/35/45/15/804354515.db2.gz YVKDICYDLXEEGE-NVXWUHKLSA-N 1 3 260.425 3.486 20 0 CGADHO C[C@H](CC(C)(C)SCc1ccco1)NC12CC([NH3+])(C1)C2 ZINC001246501084 804362569 /nfs/dbraw/zinc/36/25/69/804362569.db2.gz KCKGWYJTFPOOBB-UWTIGNOOSA-N 1 3 294.464 3.293 20 0 CGADHO c1ccc(CCCC2CC[NH+](C3CCNCC3)CC2)cc1 ZINC001246537689 804385024 /nfs/dbraw/zinc/38/50/24/804385024.db2.gz XPRRFUBWLWVVDN-UHFFFAOYSA-N 1 3 286.463 3.473 20 0 CGADHO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCN[C@H](C)C1 ZINC001246537347 804385121 /nfs/dbraw/zinc/38/51/21/804385121.db2.gz VJZOVYJEOAPMFM-INMHGKMJSA-N 1 3 290.451 3.089 20 0 CGADHO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H]1CCN[C@H](C)C1 ZINC001246537347 804385130 /nfs/dbraw/zinc/38/51/30/804385130.db2.gz VJZOVYJEOAPMFM-INMHGKMJSA-N 1 3 290.451 3.089 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246547465 804395820 /nfs/dbraw/zinc/39/58/20/804395820.db2.gz PUYLRFZDPXSDFY-IAGOWNOFSA-N 1 3 260.425 3.211 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](N)CC1 ZINC001246547465 804395829 /nfs/dbraw/zinc/39/58/29/804395829.db2.gz PUYLRFZDPXSDFY-IAGOWNOFSA-N 1 3 260.425 3.211 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC001246551261 804400741 /nfs/dbraw/zinc/40/07/41/804400741.db2.gz LRXVSHICJWPZSU-RVKKMQEKSA-N 1 3 274.452 3.097 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC001246551261 804400745 /nfs/dbraw/zinc/40/07/45/804400745.db2.gz LRXVSHICJWPZSU-RVKKMQEKSA-N 1 3 274.452 3.097 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001246562035 804412118 /nfs/dbraw/zinc/41/21/18/804412118.db2.gz HONYSSMVOGMCRK-UMVBOHGHSA-N 1 3 280.843 3.330 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246565157 804414469 /nfs/dbraw/zinc/41/44/69/804414469.db2.gz OQGAXFABQRQSTH-RYQLBKOJSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)[C@@H]1C ZINC001246565157 804414471 /nfs/dbraw/zinc/41/44/71/804414471.db2.gz OQGAXFABQRQSTH-RYQLBKOJSA-N 1 3 274.452 3.457 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571500 804419707 /nfs/dbraw/zinc/41/97/07/804419707.db2.gz UTBBTJWHGTXBIK-VHDGCEQUSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001246571500 804419712 /nfs/dbraw/zinc/41/97/12/804419712.db2.gz UTBBTJWHGTXBIK-VHDGCEQUSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]1C ZINC001246573781 804420746 /nfs/dbraw/zinc/42/07/46/804420746.db2.gz MEFFIAOGBFLVTF-SUJAAXHWSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]1C ZINC001246573781 804420749 /nfs/dbraw/zinc/42/07/49/804420749.db2.gz MEFFIAOGBFLVTF-SUJAAXHWSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N1CCC(CC[NH3+])CC1 ZINC001246581691 804425669 /nfs/dbraw/zinc/42/56/69/804425669.db2.gz UOFMZUONAXTFQQ-LBPRGKRZSA-N 1 3 298.833 3.471 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C)CC2)C[C@H](CC)N1 ZINC001246584426 804427707 /nfs/dbraw/zinc/42/77/07/804427707.db2.gz AMHHWUKPUXPYBD-JONQDZQNSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)CC2)C[C@H](CC)N1 ZINC001246584426 804427711 /nfs/dbraw/zinc/42/77/11/804427711.db2.gz AMHHWUKPUXPYBD-JONQDZQNSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@H]1C[C@H]([NH+]2CCC(CC)CC2)CCN1 ZINC001246586526 804429100 /nfs/dbraw/zinc/42/91/00/804429100.db2.gz BNEUBMJOQSWAQA-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[N@H+]([C@H]1CCC(C)(C)C1)[C@@H]1CCCNCC1 ZINC001246597607 804437214 /nfs/dbraw/zinc/43/72/14/804437214.db2.gz XSAZPJHJVMBJQJ-CABCVRRESA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCC(C)(C)C1)[C@@H]1CCCNCC1 ZINC001246597607 804437219 /nfs/dbraw/zinc/43/72/19/804437219.db2.gz XSAZPJHJVMBJQJ-CABCVRRESA-N 1 3 252.446 3.418 20 0 CGADHO CCCCCC(CCCCC)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246620463 804454175 /nfs/dbraw/zinc/45/41/75/804454175.db2.gz CAVPBQMCKVAUBX-SJLPKXTDSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246623709 804456002 /nfs/dbraw/zinc/45/60/02/804456002.db2.gz MODBZJNEQPQALO-GBESFXJTSA-N 1 3 286.463 3.328 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246623709 804456005 /nfs/dbraw/zinc/45/60/05/804456005.db2.gz MODBZJNEQPQALO-GBESFXJTSA-N 1 3 286.463 3.328 20 0 CGADHO Cc1ccc2c(c1)C[C@@H](N1CCC3(CCC[NH2+]3)CC1)CC2 ZINC001246623990 804457076 /nfs/dbraw/zinc/45/70/76/804457076.db2.gz NITMGIZKAGBPDN-SFHVURJKSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC13CCNCC3)CC2 ZINC001246644034 804470070 /nfs/dbraw/zinc/47/00/70/804470070.db2.gz ITDWYUZLMOTBRG-GOSISDBHSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC13CCNCC3)CC2 ZINC001246644034 804470073 /nfs/dbraw/zinc/47/00/73/804470073.db2.gz ITDWYUZLMOTBRG-GOSISDBHSA-N 1 3 284.447 3.070 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246644232 804472343 /nfs/dbraw/zinc/47/23/43/804472343.db2.gz XSQXSLLLHDLKGR-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCC12CCNCC2 ZINC001246644232 804472345 /nfs/dbraw/zinc/47/23/45/804472345.db2.gz XSQXSLLLHDLKGR-HUUCEWRRSA-N 1 3 252.446 3.419 20 0 CGADHO C1CN(C2CCC3(CCCCC3)CC2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246648400 804474856 /nfs/dbraw/zinc/47/48/56/804474856.db2.gz YDABOEKDRMBFNB-GOEBONIOSA-N 1 3 262.441 3.173 20 0 CGADHO CC[C@@H](CC(C)C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246653376 804479308 /nfs/dbraw/zinc/47/93/08/804479308.db2.gz SOPAJNQAATVOFV-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](CC(C)C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246653376 804479313 /nfs/dbraw/zinc/47/93/13/804479313.db2.gz SOPAJNQAATVOFV-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC(CCCC)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657499 804482729 /nfs/dbraw/zinc/48/27/29/804482729.db2.gz MSZVQGHJBKERJT-ZBFHGGJFSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001246664749 804486991 /nfs/dbraw/zinc/48/69/91/804486991.db2.gz OREUZBXGGNIVKY-XNRPHZJLSA-N 1 3 278.827 3.084 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001246664749 804486994 /nfs/dbraw/zinc/48/69/94/804486994.db2.gz OREUZBXGGNIVKY-XNRPHZJLSA-N 1 3 278.827 3.084 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCC[C@@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246773592 804504904 /nfs/dbraw/zinc/50/49/04/804504904.db2.gz BEBBTTANSKWWJR-NUJGCVRESA-N 1 3 286.463 3.470 20 0 CGADHO C[C@@H]1CC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C[C@@H](C)N1 ZINC001246773592 804504908 /nfs/dbraw/zinc/50/49/08/804504908.db2.gz BEBBTTANSKWWJR-NUJGCVRESA-N 1 3 286.463 3.470 20 0 CGADHO Cc1ccc(CN2CCC3(C[NH+](C)C3)CC2)c(Cl)c1 ZINC001140800671 804519991 /nfs/dbraw/zinc/51/99/91/804519991.db2.gz RIQHVEYUBWYTHU-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246801237 804521669 /nfs/dbraw/zinc/52/16/69/804521669.db2.gz GICTXJDHGCFUEN-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246801237 804521672 /nfs/dbraw/zinc/52/16/72/804521672.db2.gz GICTXJDHGCFUEN-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)C[C@@H]2C)CCN1 ZINC001246811108 804528443 /nfs/dbraw/zinc/52/84/43/804528443.db2.gz SEJFUKXZQHQHBM-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](C)C[C@@H]2C)CCN1 ZINC001246811108 804528446 /nfs/dbraw/zinc/52/84/46/804528446.db2.gz SEJFUKXZQHQHBM-CAOSSQGBSA-N 1 3 252.446 3.418 20 0 CGADHO CCc1ccc(C[C@H](C)N(C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC001246844583 804553656 /nfs/dbraw/zinc/55/36/56/804553656.db2.gz ZJQYUJFPYIZOQI-MAUKXSAKSA-N 1 3 274.452 3.111 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1CCN ZINC001246845821 804554572 /nfs/dbraw/zinc/55/45/72/804554572.db2.gz MCPWMSFQMPXMGX-DLBZAZTESA-N 1 3 260.425 3.211 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H]1CCN ZINC001246845821 804554575 /nfs/dbraw/zinc/55/45/75/804554575.db2.gz MCPWMSFQMPXMGX-DLBZAZTESA-N 1 3 260.425 3.211 20 0 CGADHO COc1cccc([C@@H]2CCCN2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246848209 804557906 /nfs/dbraw/zinc/55/79/06/804557906.db2.gz MVFQDOOATYBKCC-LBTNJELSSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H]2CCC[N@@H+]2C2C[C@@H](C)N[C@H](C)C2)c1 ZINC001246848209 804557911 /nfs/dbraw/zinc/55/79/11/804557911.db2.gz MVFQDOOATYBKCC-LBTNJELSSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@@H]2CCC[N@H+]2C2C[C@@H](C)N[C@H](C)C2)c1 ZINC001246848209 804557913 /nfs/dbraw/zinc/55/79/13/804557913.db2.gz MVFQDOOATYBKCC-LBTNJELSSA-N 1 3 288.435 3.361 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001246853367 804561662 /nfs/dbraw/zinc/56/16/62/804561662.db2.gz JSIYTLYLIUIZJK-HOCLYGCPSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246867666 804569808 /nfs/dbraw/zinc/56/98/08/804569808.db2.gz IKTQJEUSQRMFKT-NKGKWGDASA-N 1 3 270.420 3.106 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867666 804569813 /nfs/dbraw/zinc/56/98/13/804569813.db2.gz IKTQJEUSQRMFKT-NKGKWGDASA-N 1 3 270.420 3.106 20 0 CGADHO C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246867666 804569818 /nfs/dbraw/zinc/56/98/18/804569818.db2.gz IKTQJEUSQRMFKT-NKGKWGDASA-N 1 3 270.420 3.106 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870676 804571116 /nfs/dbraw/zinc/57/11/16/804571116.db2.gz YWPWSOCCBKIDGT-WZGPROSRSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870676 804571120 /nfs/dbraw/zinc/57/11/20/804571120.db2.gz YWPWSOCCBKIDGT-WZGPROSRSA-N 1 3 284.447 3.397 20 0 CGADHO CN(Cc1ccc(F)cc1F)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246867804 804571572 /nfs/dbraw/zinc/57/15/72/804571572.db2.gz JRXGZYYSBBJPQM-OAHLLOKOSA-N 1 3 294.389 3.319 20 0 CGADHO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246887207 804581167 /nfs/dbraw/zinc/58/11/67/804581167.db2.gz KEHYYVMXNPYYIC-KKUMJFAQSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246887207 804581172 /nfs/dbraw/zinc/58/11/72/804581172.db2.gz KEHYYVMXNPYYIC-KKUMJFAQSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901353 804587865 /nfs/dbraw/zinc/58/78/65/804587865.db2.gz MNDHCVIKQISGAR-DEYYWGMASA-N 1 3 283.419 3.445 20 0 CGADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN1 ZINC001246901353 804587871 /nfs/dbraw/zinc/58/78/71/804587871.db2.gz MNDHCVIKQISGAR-DEYYWGMASA-N 1 3 283.419 3.445 20 0 CGADHO c1ccc(CC2CCC([NH+]3CCCNCCC3)CC2)cc1 ZINC001246909088 804593153 /nfs/dbraw/zinc/59/31/53/804593153.db2.gz ZNIGFUWDPHDDHE-UHFFFAOYSA-N 1 3 286.463 3.473 20 0 CGADHO CC(C)CC[NH+](CCC(C)C)C1C[C@@H]2C=C[C@H](C1)N2 ZINC001246919776 804600758 /nfs/dbraw/zinc/60/07/58/804600758.db2.gz KSMGMKRDYRMHGW-SJPCQFCGSA-N 1 3 264.457 3.440 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C2CCNCC2)c1 ZINC001246944807 804612066 /nfs/dbraw/zinc/61/20/66/804612066.db2.gz TUXLCJRRVJNEGL-KRWDZBQOSA-N 1 3 258.409 3.192 20 0 CGADHO Cc1cc(C)cc([C@@H]2CCC[N@H+]2C2CCNCC2)c1 ZINC001246944807 804612070 /nfs/dbraw/zinc/61/20/70/804612070.db2.gz TUXLCJRRVJNEGL-KRWDZBQOSA-N 1 3 258.409 3.192 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246947391 804613869 /nfs/dbraw/zinc/61/38/69/804613869.db2.gz XMRRQHPAVULNPI-WBVHZDCISA-N 1 3 272.436 3.181 20 0 CGADHO [NH3+]C1(c2cccc(F)c2)CCN(C2CCCC2)CC1 ZINC001257346814 807117477 /nfs/dbraw/zinc/11/74/77/807117477.db2.gz ZGYUPVFRMGVAFI-UHFFFAOYSA-N 1 3 262.372 3.018 20 0 CGADHO CCCC[C@H](CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257415099 807144655 /nfs/dbraw/zinc/14/46/55/807144655.db2.gz WBFPVYZJHUHKDT-ULQDDVLXSA-N 1 3 282.472 3.188 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2nc(C)sc2C1 ZINC001167826597 807255999 /nfs/dbraw/zinc/25/59/99/807255999.db2.gz RCLIWZMTWXSCST-CYBMUJFWSA-N 1 3 295.496 3.320 20 0 CGADHO F[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167959459 807285820 /nfs/dbraw/zinc/28/58/20/807285820.db2.gz PUJDISRYKRBLCM-DQIHPLBOSA-N 1 3 280.431 3.262 20 0 CGADHO C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981825 807290257 /nfs/dbraw/zinc/29/02/57/807290257.db2.gz LWENDHCZNQMGGW-KTFSGNIMSA-N 1 3 262.441 3.124 20 0 CGADHO C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981825 807290261 /nfs/dbraw/zinc/29/02/61/807290261.db2.gz LWENDHCZNQMGGW-KTFSGNIMSA-N 1 3 262.441 3.124 20 0 CGADHO F[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167982870 807291060 /nfs/dbraw/zinc/29/10/60/807291060.db2.gz CYELMWPAEYEMMK-VPSFDDGASA-N 1 3 280.431 3.216 20 0 CGADHO F[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167982870 807291064 /nfs/dbraw/zinc/29/10/64/807291064.db2.gz CYELMWPAEYEMMK-VPSFDDGASA-N 1 3 280.431 3.216 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995110 807293777 /nfs/dbraw/zinc/29/37/77/807293777.db2.gz WQMRIBGOUXJCTH-SSAZZLEASA-N 1 3 276.468 3.370 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167995110 807293783 /nfs/dbraw/zinc/29/37/83/807293783.db2.gz WQMRIBGOUXJCTH-SSAZZLEASA-N 1 3 276.468 3.370 20 0 CGADHO COc1cccc(C2([NH3+])CCN([C@H](C)CC3CC3)CC2)c1 ZINC001258453259 807459438 /nfs/dbraw/zinc/45/94/38/807459438.db2.gz NLAPTLMZGVBPSC-CQSZACIVSA-N 1 3 288.435 3.134 20 0 CGADHO C[C@H](CC1CC1)[N@@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001258453500 807459552 /nfs/dbraw/zinc/45/95/52/807459552.db2.gz AZZBMWHERDOTRM-LSDHHAIUSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H](CC1CC1)[N@H+](Cc1ccccc1)C[C@@H](C)CN ZINC001258453500 807459556 /nfs/dbraw/zinc/45/95/56/807459556.db2.gz AZZBMWHERDOTRM-LSDHHAIUSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H](CC1CC1)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258458279 807462742 /nfs/dbraw/zinc/46/27/42/807462742.db2.gz RSJUQVIRGAQDCC-AWEZNQCLSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@@H](CC1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC001258458279 807462743 /nfs/dbraw/zinc/46/27/43/807462743.db2.gz RSJUQVIRGAQDCC-AWEZNQCLSA-N 1 3 250.430 3.125 20 0 CGADHO CCC[NH+]1CCC(n2c3ccccc3nc2[C@@H](C)N)CC1 ZINC001258768065 807604342 /nfs/dbraw/zinc/60/43/42/807604342.db2.gz VZGHLHSCYJMNDA-CYBMUJFWSA-N 1 3 286.423 3.103 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789714 807614646 /nfs/dbraw/zinc/61/46/46/807614646.db2.gz DFHYGASUYVKIAI-XUWVNRHRSA-N 1 3 252.446 3.085 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789714 807614648 /nfs/dbraw/zinc/61/46/48/807614648.db2.gz DFHYGASUYVKIAI-XUWVNRHRSA-N 1 3 252.446 3.085 20 0 CGADHO CC[NH+]1CCC(N2CCC(c3cccs3)CC2)CC1 ZINC001169258980 807616850 /nfs/dbraw/zinc/61/68/50/807616850.db2.gz XCJVMEMILACESB-UHFFFAOYSA-N 1 3 278.465 3.412 20 0 CGADHO CC(C)C1CCC([NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001258804898 807625500 /nfs/dbraw/zinc/62/55/00/807625500.db2.gz BYQAAHZAQDHRFE-UHFFFAOYSA-N 1 3 264.457 3.229 20 0 CGADHO CC[C@H](Cc1ccccc1)N1CCC([NH+](C)C)CC1 ZINC001258844936 807656176 /nfs/dbraw/zinc/65/61/76/807656176.db2.gz ULKNLLFFWFVJBD-MRXNPFEDSA-N 1 3 260.425 3.034 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(C(C)C)no1 ZINC001258900424 807670112 /nfs/dbraw/zinc/67/01/12/807670112.db2.gz LPRGFKPIOBUXFI-CQSZACIVSA-N 1 3 281.444 3.398 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cn(C(C)C)cn1 ZINC001258904569 807671159 /nfs/dbraw/zinc/67/11/59/807671159.db2.gz IGSXYENMQFBLGP-HNNXBMFYSA-N 1 3 280.460 3.064 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001258907143 807672365 /nfs/dbraw/zinc/67/23/65/807672365.db2.gz GMWCYDVUQFNDLO-YESZJQIVSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001170118248 807765184 /nfs/dbraw/zinc/76/51/84/807765184.db2.gz QTFYHPCQSUBFBV-MAUKXSAKSA-N 1 3 287.451 3.072 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170903186 807929390 /nfs/dbraw/zinc/92/93/90/807929390.db2.gz UCDOWDKFHYYJMZ-LSDHHAIUSA-N 1 3 292.854 3.271 20 0 CGADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170903183 807929957 /nfs/dbraw/zinc/92/99/57/807929957.db2.gz UCDOWDKFHYYJMZ-CABCVRRESA-N 1 3 292.854 3.271 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171444179 808058983 /nfs/dbraw/zinc/05/89/83/808058983.db2.gz DJVLBPGJMLJHTP-HNNXBMFYSA-N 1 3 296.405 3.144 20 0 CGADHO CCCCN1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171638167 808108992 /nfs/dbraw/zinc/10/89/92/808108992.db2.gz VEORJVOEBDXBTL-UHFFFAOYSA-N 1 3 295.515 3.056 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@](C)(CO)CC2)CC1(C)C ZINC001171632130 808109656 /nfs/dbraw/zinc/10/96/56/808109656.db2.gz VRETXBPHYKLWDH-GOSISDBHSA-N 1 3 296.499 3.122 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@@](C)(CO)CC2)CC1(C)C ZINC001171632130 808109657 /nfs/dbraw/zinc/10/96/57/808109657.db2.gz VRETXBPHYKLWDH-GOSISDBHSA-N 1 3 296.499 3.122 20 0 CGADHO Cn1cc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC001172099974 808171508 /nfs/dbraw/zinc/17/15/08/808171508.db2.gz NYOJNNKKOHHNSM-BJWYYQGGSA-N 1 3 297.446 3.283 20 0 CGADHO Cn1cc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC001172099974 808171513 /nfs/dbraw/zinc/17/15/13/808171513.db2.gz NYOJNNKKOHHNSM-BJWYYQGGSA-N 1 3 297.446 3.283 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121058 808182919 /nfs/dbraw/zinc/18/29/19/808182919.db2.gz BVZHCVNZOLGCNH-FVQHAEBGSA-N 1 3 274.383 3.157 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccc(F)cc3C1)C2 ZINC001172121058 808182923 /nfs/dbraw/zinc/18/29/23/808182923.db2.gz BVZHCVNZOLGCNH-FVQHAEBGSA-N 1 3 274.383 3.157 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1cccnc1)C1CC1)C2 ZINC001172119291 808182987 /nfs/dbraw/zinc/18/29/87/808182987.db2.gz YBFOOYKNNMYQEP-ZJPYXAASSA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](c1cccnc1)C1CC1)C2 ZINC001172119291 808182992 /nfs/dbraw/zinc/18/29/92/808182992.db2.gz YBFOOYKNNMYQEP-ZJPYXAASSA-N 1 3 285.435 3.138 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CC3(C2)CCN(CC2CC2)C3)C[C@@H]1C ZINC001172373691 808268259 /nfs/dbraw/zinc/26/82/59/808268259.db2.gz MXDHRQUTUSKBBS-VYDXJSESSA-N 1 3 276.468 3.229 20 0 CGADHO CC(C)OCC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172436540 808312950 /nfs/dbraw/zinc/31/29/50/808312950.db2.gz USONKDPNVVYHQY-AWEZNQCLSA-N 1 3 284.488 3.431 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H](C)CCOC(C)C)CC1 ZINC001172443430 808318109 /nfs/dbraw/zinc/31/81/09/808318109.db2.gz ZPXFHCXLYJWHOC-HNNXBMFYSA-N 1 3 284.488 3.433 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([NH+]1CCC(N(C)C3CC3)CC1)CC2 ZINC001172841675 808456273 /nfs/dbraw/zinc/45/62/73/808456273.db2.gz HFDLOLFMCJLVEO-FQEVSTJZSA-N 1 3 298.474 3.411 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001172851972 808461655 /nfs/dbraw/zinc/46/16/55/808461655.db2.gz MQNDAYWVJHSERB-SRVKXCTJSA-N 1 3 284.806 3.270 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173553407 808646083 /nfs/dbraw/zinc/64/60/83/808646083.db2.gz YBNAYLNVICCMSC-QWRGUYRKSA-N 1 3 289.250 3.499 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-n1cccc1 ZINC001275601524 808952245 /nfs/dbraw/zinc/95/22/45/808952245.db2.gz LDKLIEKDAMBKTO-AYHJJNSGSA-N 1 3 295.430 3.192 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4cccnc4c3)(C1)CCC2 ZINC001276833088 809036526 /nfs/dbraw/zinc/03/65/26/809036526.db2.gz HTSJSAKHJDDLRQ-RBUKOAKNSA-N 1 3 295.430 3.389 20 0 CGADHO C[NH+]1CCC(CCNCc2cscc2Cl)CC1 ZINC001177742304 809818430 /nfs/dbraw/zinc/81/84/30/809818430.db2.gz HFIBZENAFROZOG-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO CC(C)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201478493 811856829 /nfs/dbraw/zinc/85/68/29/811856829.db2.gz MYIPPBJMSUUDDX-QZTJIDSGSA-N 1 3 272.436 3.096 20 0 CGADHO CC(C)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201478493 811856837 /nfs/dbraw/zinc/85/68/37/811856837.db2.gz MYIPPBJMSUUDDX-QZTJIDSGSA-N 1 3 272.436 3.096 20 0 CGADHO CC[C@H](C)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201515478 811877855 /nfs/dbraw/zinc/87/78/55/811877855.db2.gz NJWGTHJBQICVAX-JYJNAYRXSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201515478 811877860 /nfs/dbraw/zinc/87/78/60/811877860.db2.gz NJWGTHJBQICVAX-JYJNAYRXSA-N 1 3 252.446 3.371 20 0 CGADHO C[N@H+](Cc1ccccc1)C1CCN(CC2CCC2)CC1 ZINC001202740196 812162416 /nfs/dbraw/zinc/16/24/16/812162416.db2.gz WYONZKJKTYTYTD-UHFFFAOYSA-N 1 3 272.436 3.383 20 0 CGADHO C[N@@H+](Cc1ccccc1)C1CCN(CC2CCC2)CC1 ZINC001202740196 812162422 /nfs/dbraw/zinc/16/24/22/812162422.db2.gz WYONZKJKTYTYTD-UHFFFAOYSA-N 1 3 272.436 3.383 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc(C)cc1C ZINC001203739040 812446249 /nfs/dbraw/zinc/44/62/49/812446249.db2.gz DLWYIHGQIAYRGH-UHFFFAOYSA-N 1 3 262.441 3.467 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@](C)(N)C1)c1cccc2ccccc21 ZINC001204763427 812729470 /nfs/dbraw/zinc/72/94/70/812729470.db2.gz JYLLLUUAPLNDFM-KBXCAEBGSA-N 1 3 268.404 3.366 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@](C)(N)C1)c1cccc2ccccc21 ZINC001204763427 812729477 /nfs/dbraw/zinc/72/94/77/812729477.db2.gz JYLLLUUAPLNDFM-KBXCAEBGSA-N 1 3 268.404 3.366 20 0 CGADHO [NH3+]CC1CCN(CCc2c(Cl)cccc2Cl)CC1 ZINC001205026132 812831696 /nfs/dbraw/zinc/83/16/96/812831696.db2.gz KRAIZNKQEGQDMS-UHFFFAOYSA-N 1 3 287.234 3.207 20 0 CGADHO [NH3+][C@@H]1CCCN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001205088357 812854775 /nfs/dbraw/zinc/85/47/75/812854775.db2.gz OLWXLIPNGZFROB-NUEKZKHPSA-N 1 3 278.827 3.257 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC001205124417 812879287 /nfs/dbraw/zinc/87/92/87/812879287.db2.gz QVEHANDDSQYCKO-QGZVFWFLSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@@]1([NH3+])CCCN(CCCc2ccccc2Cl)CC1 ZINC001205257423 812918544 /nfs/dbraw/zinc/91/85/44/812918544.db2.gz VIUJETIPHNXFEA-MRXNPFEDSA-N 1 3 280.843 3.476 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2cc3ccccc3o2)CC1 ZINC001205273418 812925179 /nfs/dbraw/zinc/92/51/79/812925179.db2.gz KNROMSUCAMBJGE-INIZCTEOSA-N 1 3 258.365 3.136 20 0 CGADHO C[C@H]1CCNCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001205326458 812955920 /nfs/dbraw/zinc/95/59/20/812955920.db2.gz ZMKDOAUEYLNHEW-AWEZNQCLSA-N 1 3 254.377 3.024 20 0 CGADHO C[C@H]1CCNCC[N@H+]1Cc1ccc2ccccc2c1 ZINC001205326458 812955923 /nfs/dbraw/zinc/95/59/23/812955923.db2.gz ZMKDOAUEYLNHEW-AWEZNQCLSA-N 1 3 254.377 3.024 20 0 CGADHO C[C@H]1CCN(Cc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC001205602664 813019383 /nfs/dbraw/zinc/01/93/83/813019383.db2.gz LDYQIQFKFHQVLW-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205602665 813019467 /nfs/dbraw/zinc/01/94/67/813019467.db2.gz LDYQIQFKFHQVLW-VXGBXAGGSA-N 1 3 284.806 3.286 20 0 CGADHO COc1cccc(Cl)c1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205628816 813034515 /nfs/dbraw/zinc/03/45/15/813034515.db2.gz XBDKEPFMKVRHMZ-QWHCGFSZSA-N 1 3 296.842 3.155 20 0 CGADHO COc1cccc(Cl)c1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205628807 813034903 /nfs/dbraw/zinc/03/49/03/813034903.db2.gz XBDKEPFMKVRHMZ-CHWSQXEVSA-N 1 3 296.842 3.155 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001205901003 813123414 /nfs/dbraw/zinc/12/34/14/813123414.db2.gz AJGSCLDMYZCNAH-JKSUJKDBSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205901003 813123418 /nfs/dbraw/zinc/12/34/18/813123418.db2.gz AJGSCLDMYZCNAH-JKSUJKDBSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001205903599 813126272 /nfs/dbraw/zinc/12/62/72/813126272.db2.gz QGVYXUYZHGVCGX-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903599 813126278 /nfs/dbraw/zinc/12/62/78/813126278.db2.gz QGVYXUYZHGVCGX-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1CCCc1ccc(Cl)cc1 ZINC001205903599 813126283 /nfs/dbraw/zinc/12/62/83/813126283.db2.gz QGVYXUYZHGVCGX-DZGCQCFKSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1CN(Cc2cccc(Cl)c2F)CCC[C@H]1C[NH3+] ZINC001205995809 813156449 /nfs/dbraw/zinc/15/64/49/813156449.db2.gz QPIXIJUKBQILNC-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2coc(-c3ccccc3)n2)CCC[C@H]1C[NH3+] ZINC001206012043 813165367 /nfs/dbraw/zinc/16/53/67/813165367.db2.gz IDTNVTVCTHKBON-HOCLYGCPSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2cc(F)ccc2Cl)CC1 ZINC001206305120 813282029 /nfs/dbraw/zinc/28/20/29/813282029.db2.gz UBRXHEVMUDKPMJ-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO CCn1ccc2c1cccc2C[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206622923 813377366 /nfs/dbraw/zinc/37/73/66/813377366.db2.gz JCHQDQNRUDEMQQ-HNNXBMFYSA-N 1 3 285.435 3.222 20 0 CGADHO CCn1ccc2c1cccc2C[N@H+]1CCCC[C@@H](CN)C1 ZINC001206622923 813377373 /nfs/dbraw/zinc/37/73/73/813377373.db2.gz JCHQDQNRUDEMQQ-HNNXBMFYSA-N 1 3 285.435 3.222 20 0 CGADHO CN1CC2(C1)CC[NH+](CCCc1cccc(Cl)c1)CC2 ZINC001207593663 813603627 /nfs/dbraw/zinc/60/36/27/813603627.db2.gz LRGIZPMUAFEKBZ-UHFFFAOYSA-N 1 3 292.854 3.300 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC001207861658 813663300 /nfs/dbraw/zinc/66/33/00/813663300.db2.gz DABGNYXPBHUZOX-HOTGVXAUSA-N 1 3 277.456 3.113 20 0 CGADHO C[C@@H](C[NH+]1CCC(N(C)C2CC2)CC1)c1ccccc1 ZINC001207911698 813670657 /nfs/dbraw/zinc/67/06/57/813670657.db2.gz IFKURUKQGZQWOD-HNNXBMFYSA-N 1 3 272.436 3.349 20 0 CGADHO CC/C=C\CCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001208135583 813701136 /nfs/dbraw/zinc/70/11/36/813701136.db2.gz IKNWTYKEYHZRQT-OOFWQKGWSA-N 1 3 294.483 3.308 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001208688082 813796985 /nfs/dbraw/zinc/79/69/85/813796985.db2.gz KBLNXFHAJWQRAL-HOTGVXAUSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001208688082 813796988 /nfs/dbraw/zinc/79/69/88/813796988.db2.gz KBLNXFHAJWQRAL-HOTGVXAUSA-N 1 3 250.430 3.125 20 0 CGADHO CN1CC=C(Nc2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001208838823 813861896 /nfs/dbraw/zinc/86/18/96/813861896.db2.gz TUELEPXBWPUMBY-UHFFFAOYSA-N 1 3 285.435 3.127 20 0 CGADHO CSCCN(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208944989 813906010 /nfs/dbraw/zinc/90/60/10/813906010.db2.gz QKFYVVGOOIRQBZ-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO CSCCN(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208944989 813906019 /nfs/dbraw/zinc/90/60/19/813906019.db2.gz QKFYVVGOOIRQBZ-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001209846708 814164459 /nfs/dbraw/zinc/16/44/59/814164459.db2.gz VRLKFZFCMYHWRQ-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001209846708 814164466 /nfs/dbraw/zinc/16/44/66/814164466.db2.gz VRLKFZFCMYHWRQ-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO C[NH2+]Cc1ccc(Nc2ccccc2CN(C)C)cc1 ZINC001211131489 814757163 /nfs/dbraw/zinc/75/71/63/814757163.db2.gz XBQZUPROFJJYCP-UHFFFAOYSA-N 1 3 269.392 3.211 20 0 CGADHO CN(C)Cc1c(O[C@@H]2CCCC[NH2+]C2)ccc2ccccc21 ZINC001217971882 816024328 /nfs/dbraw/zinc/02/43/28/816024328.db2.gz YRHXNQMNPNESGA-MRXNPFEDSA-N 1 3 298.430 3.422 20 0 CGADHO CCOc1ccc(CN2CCC[C@]23CCC[NH2+]CC3)cc1 ZINC001222310866 816405042 /nfs/dbraw/zinc/40/50/42/816405042.db2.gz WXDRASRRBREVON-SFHVURJKSA-N 1 3 288.435 3.193 20 0 CGADHO Cc1cccc2c(CN3CCC4(CCC[NH2+]C4)CC3)c[nH]c21 ZINC001222452897 816448528 /nfs/dbraw/zinc/44/85/28/816448528.db2.gz NEONRXZZCKYECB-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]3CNCC[C@H]32)c(C)c1C ZINC001222620784 816481346 /nfs/dbraw/zinc/48/13/46/816481346.db2.gz ZSDPEFZCTVRMKA-PKOBYXMFSA-N 1 3 286.463 3.413 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3CNCC[C@H]32)c(C)c1C ZINC001222620784 816481350 /nfs/dbraw/zinc/48/13/50/816481350.db2.gz ZSDPEFZCTVRMKA-PKOBYXMFSA-N 1 3 286.463 3.413 20 0 CGADHO CC1(CN2CCC3(CCC[NH2+]3)CC2)CCCCC1 ZINC001226786167 817464980 /nfs/dbraw/zinc/46/49/80/817464980.db2.gz WPHLANUGAQJXDQ-UHFFFAOYSA-N 1 3 250.430 3.175 20 0 CGADHO c1c2cnccc2[nH]c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001232011198 818232088 /nfs/dbraw/zinc/23/20/88/818232088.db2.gz JANJPHWUNHMNQH-BETUJISGSA-N 1 3 255.365 3.185 20 0 CGADHO c1c2cnccc2[nH]c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001232011198 818232092 /nfs/dbraw/zinc/23/20/92/818232092.db2.gz JANJPHWUNHMNQH-BETUJISGSA-N 1 3 255.365 3.185 20 0 CGADHO Cc1c(CN(C(C)C)C2CC[NH+](C)CC2)ccnc1Cl ZINC001232755554 818434115 /nfs/dbraw/zinc/43/41/15/818434115.db2.gz UVIZKMQOYVDQBN-UHFFFAOYSA-N 1 3 295.858 3.348 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2ccc(O)cc12 ZINC001232869221 818459550 /nfs/dbraw/zinc/45/95/50/818459550.db2.gz PDVOODCMQQPMBA-UHFFFAOYSA-N 1 3 289.423 3.037 20 0 CGADHO Cc1c(F)cc(F)cc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235132566 819013319 /nfs/dbraw/zinc/01/33/19/819013319.db2.gz IDNCXZATVXPXNF-UHFFFAOYSA-N 1 3 294.389 3.239 20 0 CGADHO CC/C=C\CCCCCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235164980 819019221 /nfs/dbraw/zinc/01/92/21/819019221.db2.gz FMPLFWALCATUHK-MYIWKSEUSA-N 1 3 250.430 3.326 20 0 CGADHO CC/C=C\CCCCCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235164980 819019227 /nfs/dbraw/zinc/01/92/27/819019227.db2.gz FMPLFWALCATUHK-MYIWKSEUSA-N 1 3 250.430 3.326 20 0 CGADHO [NH3+][C@@H]1[C@H]2CN(Cc3cccc4c5ccccc5sc43)C[C@H]21 ZINC001235210005 819036712 /nfs/dbraw/zinc/03/67/12/819036712.db2.gz IGMDXVXUZMEJFB-QLPKVWCKSA-N 1 3 294.423 3.443 20 0 CGADHO c1ccc(C2(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)CCCC2)cc1 ZINC001235256284 819050906 /nfs/dbraw/zinc/05/09/06/819050906.db2.gz RJSLHWFGDFOIOR-AEFFLSMTSA-N 1 3 284.447 3.182 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@H+](CC2CCCC2)CC3)cc1 ZINC001235361353 819077981 /nfs/dbraw/zinc/07/79/81/819077981.db2.gz FHBGJTXMBFGWBG-UXHICEINSA-N 1 3 298.474 3.430 20 0 CGADHO c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](CC2CCCC2)CC3)cc1 ZINC001235361353 819077985 /nfs/dbraw/zinc/07/79/85/819077985.db2.gz FHBGJTXMBFGWBG-UXHICEINSA-N 1 3 298.474 3.430 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363585 819080653 /nfs/dbraw/zinc/08/06/53/819080653.db2.gz SEZQWETUKDPHCI-HKUYNNGSSA-N 1 3 286.463 3.286 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363585 819080655 /nfs/dbraw/zinc/08/06/55/819080655.db2.gz SEZQWETUKDPHCI-HKUYNNGSSA-N 1 3 286.463 3.286 20 0 CGADHO CC/C=C\CCN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378731 819081708 /nfs/dbraw/zinc/08/17/08/819081708.db2.gz JBQBUPVHMANXQF-QVOQXLMASA-N 1 3 284.447 3.422 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406473 819087545 /nfs/dbraw/zinc/08/75/45/819087545.db2.gz PUWIRBAGKNJQDL-MOPGFXCFSA-N 1 3 298.405 3.315 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235406473 819087551 /nfs/dbraw/zinc/08/75/51/819087551.db2.gz PUWIRBAGKNJQDL-MOPGFXCFSA-N 1 3 298.405 3.315 20 0 CGADHO CN(CCC[NH3+])Cc1cccc(-c2ccc(F)cc2)c1 ZINC001235435140 819098034 /nfs/dbraw/zinc/09/80/34/819098034.db2.gz BETGWDZPWYWFDP-UHFFFAOYSA-N 1 3 272.367 3.273 20 0 CGADHO C[NH2+]CC1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC001235678109 819138113 /nfs/dbraw/zinc/13/81/13/819138113.db2.gz JDZCWEHIOXXDKD-UHFFFAOYSA-N 1 3 291.826 3.253 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3n2CCNC3)cc1 ZINC001235678057 819138449 /nfs/dbraw/zinc/13/84/49/819138449.db2.gz KRVJGNUFKKWUIE-IBGZPJMESA-N 1 3 295.430 3.237 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc3n2CCNC3)cc1 ZINC001235678057 819138453 /nfs/dbraw/zinc/13/84/53/819138453.db2.gz KRVJGNUFKKWUIE-IBGZPJMESA-N 1 3 295.430 3.237 20 0 CGADHO CC[N@H+](Cc1cccc2sccc21)C1CCNCC1 ZINC001235764426 819163331 /nfs/dbraw/zinc/16/33/31/819163331.db2.gz CCEBWLDAEJUIJY-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO CC[N@@H+](Cc1cccc2sccc21)C1CCNCC1 ZINC001235764426 819163332 /nfs/dbraw/zinc/16/33/32/819163332.db2.gz CCEBWLDAEJUIJY-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO CCN(Cc1cccc2sccc21)C1CC[NH2+]CC1 ZINC001235764426 819163333 /nfs/dbraw/zinc/16/33/33/819163333.db2.gz CCEBWLDAEJUIJY-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO c1c(C[NH+]2CCCCCCC2)sc2c1CCNC2 ZINC001235840524 819182093 /nfs/dbraw/zinc/18/20/93/819182093.db2.gz OWUGNEJYXCSRAL-UHFFFAOYSA-N 1 3 264.438 3.160 20 0 CGADHO CN(CCC[NH2+]C1CCCCC1)C[C@H]1CC1(C)C ZINC001235959106 819247932 /nfs/dbraw/zinc/24/79/32/819247932.db2.gz SUVHAHDTARHPMM-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO c1c(CN2CC3(C2)CCCCC3)sc2c1C[NH2+]CC2 ZINC001235993837 819263868 /nfs/dbraw/zinc/26/38/68/819263868.db2.gz SHFRPDAASXYMKY-UHFFFAOYSA-N 1 3 276.449 3.160 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236072287 819301142 /nfs/dbraw/zinc/30/11/42/819301142.db2.gz QZJLUEOQSWOHTA-OAHLLOKOSA-N 1 3 292.426 3.279 20 0 CGADHO Cc1ccc(CN(C)CCCC[NH3+])c(Cl)c1Cl ZINC001236141903 819341986 /nfs/dbraw/zinc/34/19/86/819341986.db2.gz OHABTIBOJLPWPG-UHFFFAOYSA-N 1 3 275.223 3.473 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@@H+](C)[C@@H]1CCCC[C@H]1N ZINC001236210331 819371708 /nfs/dbraw/zinc/37/17/08/819371708.db2.gz BNLABUBATIUOBB-NVXWUHKLSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@H+](C)[C@@H]1CCCC[C@H]1N ZINC001236210331 819371714 /nfs/dbraw/zinc/37/17/14/819371714.db2.gz BNLABUBATIUOBB-NVXWUHKLSA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@@H]1N ZINC001236217229 819382720 /nfs/dbraw/zinc/38/27/20/819382720.db2.gz OFZCKXWBYQGXOG-LSDHHAIUSA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2occc21)[C@@H]1CCCC[C@@H]1N ZINC001236217229 819382727 /nfs/dbraw/zinc/38/27/27/819382727.db2.gz OFZCKXWBYQGXOG-LSDHHAIUSA-N 1 3 258.365 3.135 20 0 CGADHO C[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@H]1N ZINC001236218074 819383743 /nfs/dbraw/zinc/38/37/43/819383743.db2.gz RIRXAVFFSWVGFX-HUUCEWRRSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCCC[C@H]1N ZINC001236218074 819383747 /nfs/dbraw/zinc/38/37/47/819383747.db2.gz RIRXAVFFSWVGFX-HUUCEWRRSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@H]1N ZINC001236218789 819384064 /nfs/dbraw/zinc/38/40/64/819384064.db2.gz UCKVUILERKUHPO-MSOLQXFVSA-N 1 3 272.436 3.267 20 0 CGADHO C[N@@H+](Cc1cccc2c1CCCC2)[C@H]1CCCC[C@H]1N ZINC001236218789 819384070 /nfs/dbraw/zinc/38/40/70/819384070.db2.gz UCKVUILERKUHPO-MSOLQXFVSA-N 1 3 272.436 3.267 20 0 CGADHO CCN(Cc1cccc2c(F)cccc12)C[C@@H]1CC[NH2+]C1 ZINC001236410193 819457575 /nfs/dbraw/zinc/45/75/75/819457575.db2.gz FZQUSBLWRGEPFJ-CQSZACIVSA-N 1 3 286.394 3.410 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415665 819461467 /nfs/dbraw/zinc/46/14/67/819461467.db2.gz PHJSTDUNOGOZBV-SHPPOPEUSA-N 1 3 278.827 3.255 20 0 CGADHO C[C@@H]1[C@H](N)CCC[N@H+]1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001236415665 819461471 /nfs/dbraw/zinc/46/14/71/819461471.db2.gz PHJSTDUNOGOZBV-SHPPOPEUSA-N 1 3 278.827 3.255 20 0 CGADHO C(CC1CCCC1)C[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584544 819545604 /nfs/dbraw/zinc/54/56/04/819545604.db2.gz LLUMGDPBXUTTRM-INIZCTEOSA-N 1 3 264.457 3.421 20 0 CGADHO C(CC1CCCC1)C[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001236584544 819545607 /nfs/dbraw/zinc/54/56/07/819545607.db2.gz LLUMGDPBXUTTRM-INIZCTEOSA-N 1 3 264.457 3.421 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CC[C@@](C)(CN)C2)c(C)c1C ZINC001236603654 819549921 /nfs/dbraw/zinc/54/99/21/819549921.db2.gz BNMZHECBQMZSOW-SFHVURJKSA-N 1 3 274.452 3.399 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CC[C@@](C)(CN)C2)c(C)c1C ZINC001236603654 819549925 /nfs/dbraw/zinc/54/99/25/819549925.db2.gz BNMZHECBQMZSOW-SFHVURJKSA-N 1 3 274.452 3.399 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236680739 819569793 /nfs/dbraw/zinc/56/97/93/819569793.db2.gz BYCMMMBAADAIDB-GASCZTMLSA-N 1 3 286.444 3.285 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236680739 819569798 /nfs/dbraw/zinc/56/97/98/819569798.db2.gz BYCMMMBAADAIDB-GASCZTMLSA-N 1 3 286.444 3.285 20 0 CGADHO CCCN(CCc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236827341 819610730 /nfs/dbraw/zinc/61/07/30/819610730.db2.gz FXZWUKGGUHSYDY-CYBMUJFWSA-N 1 3 298.833 3.343 20 0 CGADHO CCCOc1ccc(CN(CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236836268 819615049 /nfs/dbraw/zinc/61/50/49/819615049.db2.gz UMELIQMNSSBLNG-KRWDZBQOSA-N 1 3 290.451 3.297 20 0 CGADHO CCCN(Cc1ccc2occc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236835649 819615465 /nfs/dbraw/zinc/61/54/65/819615465.db2.gz OIPSFLUICKEXKY-OAHLLOKOSA-N 1 3 272.392 3.254 20 0 CGADHO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237889883 819873176 /nfs/dbraw/zinc/87/31/76/819873176.db2.gz PMPPDJIYXFEXLZ-QGZVFWFLSA-N 1 3 298.430 3.099 20 0 CGADHO CC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C1 ZINC001237889883 819873187 /nfs/dbraw/zinc/87/31/87/819873187.db2.gz PMPPDJIYXFEXLZ-QGZVFWFLSA-N 1 3 298.430 3.099 20 0 CGADHO [NH3+]Cc1cncc(-c2ccc(F)c(CN3CCCCC3)c2)c1 ZINC001239808677 820623427 /nfs/dbraw/zinc/62/34/27/820623427.db2.gz FWWFNSFBHZJLAR-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO Fc1c(CN2CCCC2)cccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242027782 822291086 /nfs/dbraw/zinc/29/10/86/822291086.db2.gz KYXYLMUJIKEQJJ-CVEARBPZSA-N 1 3 286.394 3.329 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001340375244 936404050 /nfs/dbraw/zinc/40/40/50/936404050.db2.gz HRAHWIFTHBQPPD-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(c2c(C)cnc3ccccc32)C1 ZINC001340375244 936404052 /nfs/dbraw/zinc/40/40/52/936404052.db2.gz HRAHWIFTHBQPPD-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO C=Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC001257207647 928604206 /nfs/dbraw/zinc/60/42/06/928604206.db2.gz ABMIZUIKPDWFND-UHFFFAOYSA-N 1 3 258.409 3.292 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC001460701882 937541279 /nfs/dbraw/zinc/54/12/79/937541279.db2.gz BQVCNXHWMXFVAH-BRWVUGGUSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC001460701882 937541280 /nfs/dbraw/zinc/54/12/80/937541280.db2.gz BQVCNXHWMXFVAH-BRWVUGGUSA-N 1 3 287.451 3.418 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001460800756 937546006 /nfs/dbraw/zinc/54/60/06/937546006.db2.gz KDABKVJVFVAPBX-HZPDHXFCSA-N 1 3 275.440 3.274 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001460800756 937546009 /nfs/dbraw/zinc/54/60/09/937546009.db2.gz KDABKVJVFVAPBX-HZPDHXFCSA-N 1 3 275.440 3.274 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C[C@@H]1C[NH3+] ZINC000163485586 932003280 /nfs/dbraw/zinc/00/32/80/932003280.db2.gz ZLKOUUIITVGBER-ZBFHGGJFSA-N 1 3 274.452 3.401 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462473831 937643500 /nfs/dbraw/zinc/64/35/00/937643500.db2.gz BUJZWPAGORYERL-ZLPCBKJTSA-N 1 3 294.483 3.188 20 0 CGADHO CCc1ccc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1 ZINC001308088825 933046272 /nfs/dbraw/zinc/04/62/72/933046272.db2.gz JBCRURNNZOYBMX-MRXNPFEDSA-N 1 3 295.430 3.355 20 0 CGADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1[C@H]1C=CCCCCC1 ZINC001308089160 933046620 /nfs/dbraw/zinc/04/66/20/933046620.db2.gz KSOURKATZGYUEX-AEFFLSMTSA-N 1 3 285.435 3.481 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2cccn2C(F)F)CCCC1 ZINC001308670462 933153408 /nfs/dbraw/zinc/15/34/08/933153408.db2.gz ATUGBVUQYUEKPQ-UHFFFAOYSA-N 1 3 285.382 3.095 20 0 CGADHO Cc1ccc(CC[NH2+]CC[C@@H](C)N2CCCCC2)cc1 ZINC001308683204 933157472 /nfs/dbraw/zinc/15/74/72/933157472.db2.gz KTLFVWSTNSIIOA-QGZVFWFLSA-N 1 3 274.452 3.392 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)N(C)C ZINC001308882608 933196507 /nfs/dbraw/zinc/19/65/07/933196507.db2.gz LTTXYIIQWAFTGW-BPQIPLTHSA-N 1 3 274.452 3.328 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001319127596 933829740 /nfs/dbraw/zinc/82/97/40/933829740.db2.gz KCURFJCSHVZILH-HUUCEWRRSA-N 1 3 281.403 3.004 20 0 CGADHO Cc1cnc2ccccc2c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001319127596 933829742 /nfs/dbraw/zinc/82/97/42/933829742.db2.gz KCURFJCSHVZILH-HUUCEWRRSA-N 1 3 281.403 3.004 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001319189379 933839579 /nfs/dbraw/zinc/83/95/79/933839579.db2.gz FSDLUXJWQBVITH-KGLIPLIRSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001326276466 934965161 /nfs/dbraw/zinc/96/51/61/934965161.db2.gz AZBBUXHZIPGRNN-CYBMUJFWSA-N 1 3 294.389 3.491 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC001326603966 934994291 /nfs/dbraw/zinc/99/42/91/934994291.db2.gz BJYZZWWXQUEJPP-GXTWGEPZSA-N 1 3 293.842 3.044 20 0 CGADHO C[C@@](CN)([NH2+]Cc1cnc(-c2ccccc2)s1)C1CC1 ZINC001326694691 934998929 /nfs/dbraw/zinc/99/89/29/934998929.db2.gz WWICGQWETRRUPB-INIZCTEOSA-N 1 3 287.432 3.027 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001329364098 935208787 /nfs/dbraw/zinc/20/87/87/935208787.db2.gz PIMWRFJCULZCBM-RHSMWYFYSA-N 1 3 281.403 3.074 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001329364098 935208792 /nfs/dbraw/zinc/20/87/92/935208792.db2.gz PIMWRFJCULZCBM-RHSMWYFYSA-N 1 3 281.403 3.074 20 0 CGADHO FC(F)(F)CCC[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001333837125 936069776 /nfs/dbraw/zinc/06/97/76/936069776.db2.gz ATZWSHHUNKCQQS-CYBMUJFWSA-N 1 3 278.362 3.041 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1(C)C ZINC001474499161 937863244 /nfs/dbraw/zinc/86/32/44/937863244.db2.gz LWTOSNNVOMCIBI-GVDBMIGSSA-N 1 3 296.499 3.290 20 0 CGADHO C([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@H]1CCCN(CC2CC2)C1 ZINC001474644864 937872389 /nfs/dbraw/zinc/87/23/89/937872389.db2.gz DMTLPOWBTLVBIA-OWSLCNJRSA-N 1 3 276.468 3.277 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001550542417 938167779 /nfs/dbraw/zinc/16/77/79/938167779.db2.gz QVECOKHFLKBDCI-GJZGRUSLSA-N 1 3 280.362 3.008 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]2C1 ZINC001550542417 938167780 /nfs/dbraw/zinc/16/77/80/938167780.db2.gz QVECOKHFLKBDCI-GJZGRUSLSA-N 1 3 280.362 3.008 20 0 CGADHO C[C@H]1CC[C@H](C)C1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551401214 938181467 /nfs/dbraw/zinc/18/14/67/938181467.db2.gz QYBVRWWKICVVOL-WMTDPASSSA-N 1 3 294.483 3.044 20 0 CGADHO C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC001553026496 938196006 /nfs/dbraw/zinc/19/60/06/938196006.db2.gz OHZKHZQEROBAAZ-BBWFWOEESA-N 1 3 276.468 3.467 20 0 CGADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001553025847 938196157 /nfs/dbraw/zinc/19/61/57/938196157.db2.gz JTEYJYOYUPHAGD-IGQOVBAYSA-N 1 3 286.410 3.178 20 0 CGADHO Cc1cc(C[NH2+]CC2(CN(C)C)CCCC2)cnc1Cl ZINC001560433980 938258366 /nfs/dbraw/zinc/25/83/66/938258366.db2.gz GGQBURQCDSWTBP-UHFFFAOYSA-N 1 3 295.858 3.255 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001560809774 938277160 /nfs/dbraw/zinc/27/71/60/938277160.db2.gz XZMFECJNHYAXRG-OAHLLOKOSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccccc1CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001560987326 938288063 /nfs/dbraw/zinc/28/80/63/938288063.db2.gz VYRUFFPIHWTERC-MRXNPFEDSA-N 1 3 281.403 3.101 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@H]1C[NH2+]CC12CC(C1)CN2 ZINC001575120102 962356292 /nfs/dbraw/zinc/35/62/92/962356292.db2.gz QRTPEWWSOWTBFS-KRIMKBQASA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)(C)[C@@H]1CCCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC001575120102 962356306 /nfs/dbraw/zinc/35/63/06/962356306.db2.gz QRTPEWWSOWTBFS-KRIMKBQASA-N 1 3 264.457 3.181 20 0 CGADHO CC(C)C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC001575531535 962379039 /nfs/dbraw/zinc/37/90/39/962379039.db2.gz QIHXOEIBUPBKHZ-LJISPDSOSA-N 1 3 252.446 3.035 20 0 CGADHO CC(C)CSCCC[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001575616526 962404242 /nfs/dbraw/zinc/40/42/42/962404242.db2.gz APWFWYOQJOZBJD-HZPDHXFCSA-N 1 3 284.513 3.217 20 0 CGADHO CC(C)CSCCC[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001575616526 962404256 /nfs/dbraw/zinc/40/42/56/962404256.db2.gz APWFWYOQJOZBJD-HZPDHXFCSA-N 1 3 284.513 3.217 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC001576426751 962454808 /nfs/dbraw/zinc/45/48/08/962454808.db2.gz NLHBSHISNZSSDH-KKUMJFAQSA-N 1 3 252.446 3.310 20 0 CGADHO Cc1c2ccccc2sc1[C@@H](C)NCC1C[NH2+]C1 ZINC001579543837 962634478 /nfs/dbraw/zinc/63/44/78/962634478.db2.gz KQAMPBXLOBTWJG-LLVKDONJSA-N 1 3 260.406 3.080 20 0 CGADHO Cc1cc(C)c(/C=C/C[NH2+]C[C@@H](N)C(C)C)cc1C ZINC001579571452 962635658 /nfs/dbraw/zinc/63/56/58/962635658.db2.gz GFNRVGXNGIAOSJ-DKRLNXSXSA-N 1 3 260.425 3.198 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H](CN)C(C)C)cc1 ZINC001579684506 962653412 /nfs/dbraw/zinc/65/34/12/962653412.db2.gz HIFJTWASXBNHNN-MSOLQXFVSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H](CN)C(C)C)cc1 ZINC001579684506 962653421 /nfs/dbraw/zinc/65/34/21/962653421.db2.gz HIFJTWASXBNHNN-MSOLQXFVSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1ncc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875683 962680888 /nfs/dbraw/zinc/68/08/88/962680888.db2.gz ICAFVZRKKIOCFX-PBHICJAKSA-N 1 3 291.439 3.103 20 0 CGADHO [NH3+]CC1(CN2CCC[C@H]2c2cccc(F)c2)CCC1 ZINC001580244466 962704961 /nfs/dbraw/zinc/70/49/61/962704961.db2.gz YAIWBTLCZPNJIF-HNNXBMFYSA-N 1 3 262.372 3.092 20 0 CGADHO NC[C@@]12C[N@H+](Cc3ccc4ncccc4c3)C[C@H]1CCCC2 ZINC001580254197 962708568 /nfs/dbraw/zinc/70/85/68/962708568.db2.gz ARYZLQHLDQMWFJ-MJGOQNOKSA-N 1 3 295.430 3.186 20 0 CGADHO NC[C@@]12C[N@@H+](Cc3ccc4ncccc4c3)C[C@H]1CCCC2 ZINC001580254197 962708586 /nfs/dbraw/zinc/70/85/86/962708586.db2.gz ARYZLQHLDQMWFJ-MJGOQNOKSA-N 1 3 295.430 3.186 20 0 CGADHO c1c2cnccc2oc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000651613978 398258567 /nfs/dbraw/zinc/25/85/67/398258567.db2.gz YNDVCOVWETZYFY-UHFFFAOYSA-N 1 3 299.418 3.136 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644384 398261470 /nfs/dbraw/zinc/26/14/70/398261470.db2.gz PSSOVKFLUSFBRI-PBHICJAKSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644384 398261472 /nfs/dbraw/zinc/26/14/72/398261472.db2.gz PSSOVKFLUSFBRI-PBHICJAKSA-N 1 3 272.436 3.090 20 0 CGADHO CCCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000621728126 349569666 /nfs/dbraw/zinc/56/96/66/349569666.db2.gz BZEGJOVJRJLBTD-CZUORRHYSA-N 1 3 280.481 3.473 20 0 CGADHO CCCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000621728126 349569672 /nfs/dbraw/zinc/56/96/72/349569672.db2.gz BZEGJOVJRJLBTD-CZUORRHYSA-N 1 3 280.481 3.473 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000651866080 398299085 /nfs/dbraw/zinc/29/90/85/398299085.db2.gz UBMBOZZACOBAIB-MRXNPFEDSA-N 1 3 292.467 3.281 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H](C)CCc1ccc(O)cc1 ZINC000651866080 398299088 /nfs/dbraw/zinc/29/90/88/398299088.db2.gz UBMBOZZACOBAIB-MRXNPFEDSA-N 1 3 292.467 3.281 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H](C)CCc1ccc(O)cc1 ZINC000651866080 398299089 /nfs/dbraw/zinc/29/90/89/398299089.db2.gz UBMBOZZACOBAIB-MRXNPFEDSA-N 1 3 292.467 3.281 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468475 529567659 /nfs/dbraw/zinc/56/76/59/529567659.db2.gz OKFNMXKUUKOZBX-MJGOQNOKSA-N 1 3 298.430 3.306 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423456126 529569469 /nfs/dbraw/zinc/56/94/69/529569469.db2.gz DFRGADVOEFVEBI-SJLPKXTDSA-N 1 3 286.394 3.436 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1C[C@@H]1C ZINC000414072478 529592986 /nfs/dbraw/zinc/59/29/86/529592986.db2.gz DVSJHAVZHWUVFR-WBAXXEDZSA-N 1 3 287.451 3.322 20 0 CGADHO COc1cc(C[NH2+][C@H]2CCN3CCCC[C@H]23)ccc1Cl ZINC000623358470 349788064 /nfs/dbraw/zinc/78/80/64/349788064.db2.gz BJHVKTGBEHCKBY-LSDHHAIUSA-N 1 3 294.826 3.065 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(OC(F)F)cc1 ZINC000423453466 529650714 /nfs/dbraw/zinc/65/07/14/529650714.db2.gz XQYGEHRLAKYGRB-KWBADKCTSA-N 1 3 272.339 3.064 20 0 CGADHO CSc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623374359 349793420 /nfs/dbraw/zinc/79/34/20/349793420.db2.gz BHKZVCSXQNOILV-CQSZACIVSA-N 1 3 278.465 3.371 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414838566 290681015 /nfs/dbraw/zinc/68/10/15/290681015.db2.gz LHMWEYUQWXFMTN-MNOVXSKESA-N 1 3 289.250 3.370 20 0 CGADHO CCC(CC)[C@H](N[C@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422934158 282278781 /nfs/dbraw/zinc/27/87/81/282278781.db2.gz JASITYHVPSMJRP-ABAIWWIYSA-N 1 3 266.454 3.423 20 0 CGADHO CCC(CC)[C@H]([NH2+][C@H](C)C1CNC1)c1cccs1 ZINC000422934158 282278783 /nfs/dbraw/zinc/27/87/83/282278783.db2.gz JASITYHVPSMJRP-ABAIWWIYSA-N 1 3 266.454 3.423 20 0 CGADHO CCc1nc(C)c([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000414185512 529729704 /nfs/dbraw/zinc/72/97/04/529729704.db2.gz OUHOPLOQYFTUSV-GXTWGEPZSA-N 1 3 295.496 3.396 20 0 CGADHO CCc1nc(C)c([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000414185512 529729705 /nfs/dbraw/zinc/72/97/05/529729705.db2.gz OUHOPLOQYFTUSV-GXTWGEPZSA-N 1 3 295.496 3.396 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@@H]2CCC[C@@H]21 ZINC000367629380 529806762 /nfs/dbraw/zinc/80/67/62/529806762.db2.gz YDGQXYVEDYFUKL-WDSOQIARSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc3ncccc3c2)[C@@H]2CCC[C@@H]21 ZINC000367629380 529806763 /nfs/dbraw/zinc/80/67/63/529806763.db2.gz YDGQXYVEDYFUKL-WDSOQIARSA-N 1 3 295.430 3.197 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327859 529808629 /nfs/dbraw/zinc/80/86/29/529808629.db2.gz DCVVLVLVUQDVBX-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327859 529808630 /nfs/dbraw/zinc/80/86/30/529808630.db2.gz DCVVLVLVUQDVBX-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000623656805 349858725 /nfs/dbraw/zinc/85/87/25/349858725.db2.gz CGAMYTJHHYOIHC-CYBMUJFWSA-N 1 3 289.448 3.118 20 0 CGADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657514 349860225 /nfs/dbraw/zinc/86/02/25/349860225.db2.gz SLHCRHQFFNCXPB-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623655757 349856853 /nfs/dbraw/zinc/85/68/53/349856853.db2.gz DSCKRLVXAQWFJB-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO CCc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)s1 ZINC000623655723 349857155 /nfs/dbraw/zinc/85/71/55/349857155.db2.gz CTVJCAPSYMTEKO-CYBMUJFWSA-N 1 3 266.454 3.132 20 0 CGADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1C ZINC000623655431 349857340 /nfs/dbraw/zinc/85/73/40/349857340.db2.gz XLRLGGLHGFNBDY-MRXNPFEDSA-N 1 3 260.425 3.125 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2ccccc2F)CC1 ZINC000044517495 345012204 /nfs/dbraw/zinc/01/22/04/345012204.db2.gz FDSIUQMDXJTXND-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000295112066 199350566 /nfs/dbraw/zinc/35/05/66/199350566.db2.gz WFKQHTBCHDSZGG-GOOCMWNKSA-N 1 3 278.827 3.363 20 0 CGADHO Cc1csc([C@H](C)NCCCCC[NH+]2CCCC2)n1 ZINC000623989874 349937912 /nfs/dbraw/zinc/93/79/12/349937912.db2.gz LDCUMOPJJWVXIN-AWEZNQCLSA-N 1 3 281.469 3.368 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccnc1 ZINC000091288087 345809732 /nfs/dbraw/zinc/80/97/32/345809732.db2.gz KWDYLIAERFOBFL-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c2ccccc2n1 ZINC000091481475 345816434 /nfs/dbraw/zinc/81/64/34/345816434.db2.gz LZNMTXLFPKUEOO-QGZVFWFLSA-N 1 3 269.392 3.295 20 0 CGADHO C[C@@H](CC(F)(F)F)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000089512955 345769981 /nfs/dbraw/zinc/76/99/81/345769981.db2.gz WSJHYWCGVSRXQC-JTQLQIEISA-N 1 3 266.351 3.180 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc2[nH]ccc2c1)CN1CCCCC1 ZINC000229640550 346318636 /nfs/dbraw/zinc/31/86/36/346318636.db2.gz UOIIHNUJNQGMKA-HNNXBMFYSA-N 1 3 285.435 3.380 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250487097 346385516 /nfs/dbraw/zinc/38/55/16/346385516.db2.gz FDHQRQKVQQUVGN-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000252217287 346390677 /nfs/dbraw/zinc/39/06/77/346390677.db2.gz YARNCZLORWOIST-UGUYLWEFSA-N 1 3 252.446 3.131 20 0 CGADHO c1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)CNCC4)C2)cc1 ZINC000316993675 346485896 /nfs/dbraw/zinc/48/58/96/346485896.db2.gz UMHNCROIBCEHHB-IBGZPJMESA-N 1 3 292.426 3.322 20 0 CGADHO c1ccc([C@H]2CC[N@H+](Cc3ccc4c(c3)CNCC4)C2)cc1 ZINC000316993675 346485898 /nfs/dbraw/zinc/48/58/98/346485898.db2.gz UMHNCROIBCEHHB-IBGZPJMESA-N 1 3 292.426 3.322 20 0 CGADHO CC[NH+]1CCC(CNCc2sccc2Cl)CC1 ZINC000310304368 346471173 /nfs/dbraw/zinc/47/11/73/346471173.db2.gz ONSQQIWEGVBTNA-UHFFFAOYSA-N 1 3 272.845 3.223 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000584840242 346718279 /nfs/dbraw/zinc/71/82/79/346718279.db2.gz ROQSGDJFHDPWQT-ACJLOTCBSA-N 1 3 266.388 3.483 20 0 CGADHO CSCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000596650647 347498492 /nfs/dbraw/zinc/49/84/92/347498492.db2.gz MKOCTYPRCRWRNK-ARFHVFGLSA-N 1 3 296.524 3.420 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119655 349975912 /nfs/dbraw/zinc/97/59/12/349975912.db2.gz GRXPMMHOAAWGOP-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)[C@@H](C)OC)cc1 ZINC000128685246 187384039 /nfs/dbraw/zinc/38/40/39/187384039.db2.gz ZXBPXJWCDYJIGN-HUUCEWRRSA-N 1 3 278.440 3.041 20 0 CGADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120807 349978764 /nfs/dbraw/zinc/97/87/64/349978764.db2.gz HHBKXCWQPOJCBZ-WMLDXEAASA-N 1 3 288.435 3.004 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624121005 349978915 /nfs/dbraw/zinc/97/89/15/349978915.db2.gz LMJOSCUWXYEBMI-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121005 349978918 /nfs/dbraw/zinc/97/89/18/349978918.db2.gz LMJOSCUWXYEBMI-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)CC2 ZINC000624121005 349978921 /nfs/dbraw/zinc/97/89/21/349978921.db2.gz LMJOSCUWXYEBMI-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000624121355 349978472 /nfs/dbraw/zinc/97/84/72/349978472.db2.gz ULZFMXJQAVHLTQ-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122145 349980320 /nfs/dbraw/zinc/98/03/20/349980320.db2.gz KTWYWANWYOWOBY-WBVHZDCISA-N 1 3 275.440 3.100 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCC1 ZINC000624123027 349981769 /nfs/dbraw/zinc/98/17/69/349981769.db2.gz DKABVFPDIXUALX-ZBFHGGJFSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H](C)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000339409416 215151911 /nfs/dbraw/zinc/15/19/11/215151911.db2.gz MFDBWHBIEZVGAN-NVXWUHKLSA-N 1 3 275.440 3.072 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H](C)c1ccc(F)cc1 ZINC000339409770 215155220 /nfs/dbraw/zinc/15/52/20/215155220.db2.gz NNZMQCKZHQODSS-CZUORRHYSA-N 1 3 266.404 3.234 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339430765 215164971 /nfs/dbraw/zinc/16/49/71/215164971.db2.gz MUBUKWLSGUZKDB-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339430765 215164974 /nfs/dbraw/zinc/16/49/74/215164974.db2.gz MUBUKWLSGUZKDB-GOSISDBHSA-N 1 3 272.436 3.221 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCC2(C(F)(F)F)CCCC2)[C@@H](C)C1 ZINC000624272648 350017033 /nfs/dbraw/zinc/01/70/33/350017033.db2.gz NOVGXTWHNUZOFO-QWHCGFSZSA-N 1 3 292.389 3.429 20 0 CGADHO CC[N@H+]1CC[C@@H](NCC2(C(F)(F)F)CCCC2)[C@@H](C)C1 ZINC000624272648 350017039 /nfs/dbraw/zinc/01/70/39/350017039.db2.gz NOVGXTWHNUZOFO-QWHCGFSZSA-N 1 3 292.389 3.429 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000626113751 350262741 /nfs/dbraw/zinc/26/27/41/350262741.db2.gz FCJPTGKRABHPEQ-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CCCC2(CC2)CC1 ZINC000626113751 350262746 /nfs/dbraw/zinc/26/27/46/350262746.db2.gz FCJPTGKRABHPEQ-HNNXBMFYSA-N 1 3 250.430 3.127 20 0 CGADHO Cc1ccc([C@@H](C)C[NH+]2CCC(N(C)C)CC2)cc1 ZINC000628140627 350408546 /nfs/dbraw/zinc/40/85/46/350408546.db2.gz RMCZPPSYVSABPJ-HNNXBMFYSA-N 1 3 260.425 3.125 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000628183132 350427540 /nfs/dbraw/zinc/42/75/40/350427540.db2.gz RONCNSXGLCOIRE-KDOFPFPSSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc3[nH]ccc3c2)[C@H](C)C1 ZINC000628183132 350427543 /nfs/dbraw/zinc/42/75/43/350427543.db2.gz RONCNSXGLCOIRE-KDOFPFPSSA-N 1 3 285.435 3.330 20 0 CGADHO C[C@H](CC[NH2+]C[C@]1(C)CCCS1)N1CCCCC1 ZINC000628237220 350458620 /nfs/dbraw/zinc/45/86/20/350458620.db2.gz GDRCJUZRBKNRLD-CABCVRRESA-N 1 3 270.486 3.126 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC000628279952 350474912 /nfs/dbraw/zinc/47/49/12/350474912.db2.gz IYLALFQEIMDXBF-UHFFFAOYSA-N 1 3 273.424 3.332 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC(F)(F)C1 ZINC000628353286 350514194 /nfs/dbraw/zinc/51/41/94/350514194.db2.gz PMLMULMXQRBYDT-TZMCWYRMSA-N 1 3 286.410 3.132 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)Cc1ccccc1 ZINC000628425379 350535715 /nfs/dbraw/zinc/53/57/15/350535715.db2.gz IYOAVKWDZRCRAM-WMZOPIPTSA-N 1 3 274.452 3.187 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1 ZINC000628425562 350536594 /nfs/dbraw/zinc/53/65/94/350536594.db2.gz ORAWUWXPKPGKOK-JKSUJKDBSA-N 1 3 260.425 3.112 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000629527028 350702843 /nfs/dbraw/zinc/70/28/43/350702843.db2.gz IFLRADRKAVDTTA-XWTMOSNGSA-N 1 3 272.436 3.128 20 0 CGADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000629527963 350703372 /nfs/dbraw/zinc/70/33/72/350703372.db2.gz KZANLEDPHJWEDE-RRFJBIMHSA-N 1 3 250.430 3.220 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000629531196 350703700 /nfs/dbraw/zinc/70/37/00/350703700.db2.gz CZQCAKZGKCBXDB-XLAORIBOSA-N 1 3 296.499 3.338 20 0 CGADHO Cc1ccc2ncc(CN3CCC[C@@H](C)[C@H]3CC[NH3+])cc2c1 ZINC000629537842 350705893 /nfs/dbraw/zinc/70/58/93/350705893.db2.gz LSQIGFKMPIUOCJ-DNVCBOLYSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1ccc(C[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C2CC2)cc1 ZINC000629537027 350706119 /nfs/dbraw/zinc/70/61/19/350706119.db2.gz INGGPMSTIGSESZ-OLMNPRSZSA-N 1 3 272.436 3.046 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629549088 350710991 /nfs/dbraw/zinc/71/09/91/350710991.db2.gz QCNGDPOLYXBSSL-RCBQFDQVSA-N 1 3 278.827 3.434 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629549083 350711279 /nfs/dbraw/zinc/71/12/79/350711279.db2.gz QCNGDPOLYXBSSL-KCXAZCMYSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000629407468 350689431 /nfs/dbraw/zinc/68/94/31/350689431.db2.gz AUHOINFJYVRGRQ-WSWKGWCUSA-N 1 3 272.436 3.299 20 0 CGADHO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCC(F)(F)CC1 ZINC000629517088 350699655 /nfs/dbraw/zinc/69/96/55/350699655.db2.gz ADSZSTUOUWDDMU-DGCLKSJQSA-N 1 3 272.383 3.075 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC(F)(F)CC1 ZINC000629517088 350699660 /nfs/dbraw/zinc/69/96/60/350699660.db2.gz ADSZSTUOUWDDMU-DGCLKSJQSA-N 1 3 272.383 3.075 20 0 CGADHO C[C@H](CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)(C)C ZINC000629656417 350731353 /nfs/dbraw/zinc/73/13/53/350731353.db2.gz OIEYYISJRZCUDA-UTUOFQBUSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1)C(C)(C)C ZINC000629656417 350731355 /nfs/dbraw/zinc/73/13/55/350731355.db2.gz OIEYYISJRZCUDA-UTUOFQBUSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CN)C1)C(C)(C)C ZINC000629656417 350731357 /nfs/dbraw/zinc/73/13/57/350731357.db2.gz OIEYYISJRZCUDA-UTUOFQBUSA-N 1 3 280.378 3.128 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)[C@H](C)O1 ZINC000631702358 351122931 /nfs/dbraw/zinc/12/29/31/351122931.db2.gz SEMVSHLMXQYWQM-OSBBLCOHSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)[C@H](C)O1 ZINC000631702358 351122933 /nfs/dbraw/zinc/12/29/33/351122933.db2.gz SEMVSHLMXQYWQM-OSBBLCOHSA-N 1 3 294.483 3.185 20 0 CGADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](C)CN1CCCC1 ZINC000631570046 351070428 /nfs/dbraw/zinc/07/04/28/351070428.db2.gz OXKSSFRBPNBVIT-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)CN(C)C ZINC000631632297 351098226 /nfs/dbraw/zinc/09/82/26/351098226.db2.gz OVYPEWCVNFNKAI-GJZGRUSLSA-N 1 3 287.451 3.276 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc2ncccc12 ZINC000634687735 351573700 /nfs/dbraw/zinc/57/37/00/351573700.db2.gz XRPAODXBHAJWCS-INIZCTEOSA-N 1 3 271.408 3.040 20 0 CGADHO Cc1ccc2cc(CN[C@H]3CC[NH2+]CC(C)(C)C3)ccc2n1 ZINC000634733802 351579637 /nfs/dbraw/zinc/57/96/37/351579637.db2.gz ONAMCHMHBNJQCR-KRWDZBQOSA-N 1 3 297.446 3.411 20 0 CGADHO C[C@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CCSCC1 ZINC000635003834 351621732 /nfs/dbraw/zinc/62/17/32/351621732.db2.gz BIXKGBSAQZNOHT-YOEHRIQHSA-N 1 3 292.492 3.068 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635008316 351626465 /nfs/dbraw/zinc/62/64/65/351626465.db2.gz RKJUTTVXRDNSFI-ZACQAIPSSA-N 1 3 260.425 3.115 20 0 CGADHO CC(C)[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635009520 351626954 /nfs/dbraw/zinc/62/69/54/351626954.db2.gz VULFHJOYKNRMBM-RTBURBONSA-N 1 3 297.446 3.328 20 0 CGADHO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc2c1CCNC2 ZINC000635009593 351627555 /nfs/dbraw/zinc/62/75/55/351627555.db2.gz IICRAWGKEMZURJ-ZDUSSCGKSA-N 1 3 286.444 3.115 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635009855 351628141 /nfs/dbraw/zinc/62/81/41/351628141.db2.gz IAIPECDOOZJIBD-BFHYXJOUSA-N 1 3 252.446 3.179 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009994 351628355 /nfs/dbraw/zinc/62/83/55/351628355.db2.gz ILYXCUXAPFYVCK-OIISXLGYSA-N 1 3 290.451 3.130 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCc3sccc32)C1 ZINC000635011138 351629322 /nfs/dbraw/zinc/62/93/22/351629322.db2.gz MKXNOIVYHNLYJD-TZMCWYRMSA-N 1 3 278.465 3.493 20 0 CGADHO CN(C)Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000122943304 187061382 /nfs/dbraw/zinc/06/13/82/187061382.db2.gz GUONWNZUWLVWOZ-OAHLLOKOSA-N 1 3 258.409 3.194 20 0 CGADHO FC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCC1 ZINC000423115732 303125056 /nfs/dbraw/zinc/12/50/56/303125056.db2.gz YPGHVGCZTRMUNW-SOUVJXGZSA-N 1 3 268.420 3.169 20 0 CGADHO COC[C@H](C)N(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352285473 219392792 /nfs/dbraw/zinc/39/27/92/219392792.db2.gz FWTVQLIIULEKDI-INIZCTEOSA-N 1 3 292.467 3.111 20 0 CGADHO COC[C@H](C)N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352285473 219392794 /nfs/dbraw/zinc/39/27/94/219392794.db2.gz FWTVQLIIULEKDI-INIZCTEOSA-N 1 3 292.467 3.111 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000422716584 295855165 /nfs/dbraw/zinc/85/51/65/295855165.db2.gz ULCWPQNSBPEENI-SUMWQHHRSA-N 1 3 287.382 3.027 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000423450547 295855254 /nfs/dbraw/zinc/85/52/54/295855254.db2.gz HKPBSGIQFPGTAY-SUMWQHHRSA-N 1 3 287.382 3.027 20 0 CGADHO c1ccc(CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157129977 188298896 /nfs/dbraw/zinc/29/88/96/188298896.db2.gz RVSTXRGNEYPVOT-SFHVURJKSA-N 1 3 272.436 3.179 20 0 CGADHO Fc1cccc2c1CCC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000459558426 283018527 /nfs/dbraw/zinc/01/85/27/283018527.db2.gz ACXGEFRIDNQWEB-GOSISDBHSA-N 1 3 288.410 3.420 20 0 CGADHO Fc1ccccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488143 138345929 /nfs/dbraw/zinc/34/59/29/138345929.db2.gz NSYFFQWQIRGWAU-RYQLBKOJSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOC1CCCCC1 ZINC000093516528 138347124 /nfs/dbraw/zinc/34/71/24/138347124.db2.gz XBFFRHFQFJZNGZ-JKSUJKDBSA-N 1 3 282.472 3.236 20 0 CGADHO CC[NH+]1CCC(NCc2ccc3nc(C)ccc3c2)CC1 ZINC000097861508 138349036 /nfs/dbraw/zinc/34/90/36/138349036.db2.gz QOGXJZAXFCFTKF-UHFFFAOYSA-N 1 3 283.419 3.117 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000110644751 138363477 /nfs/dbraw/zinc/36/34/77/138363477.db2.gz MANDVAMHHLWNSY-VXGBXAGGSA-N 1 3 266.816 3.460 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000110920469 138363544 /nfs/dbraw/zinc/36/35/44/138363544.db2.gz WSBMSILNTCYHSK-LLVKDONJSA-N 1 3 286.341 3.265 20 0 CGADHO CCC(C)(C)CC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000472448726 535350641 /nfs/dbraw/zinc/35/06/41/535350641.db2.gz PUTYTFACGXZGQV-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO CCC(C)(C)CC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000472448726 535350643 /nfs/dbraw/zinc/35/06/43/535350643.db2.gz PUTYTFACGXZGQV-MRXNPFEDSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000127721865 138390248 /nfs/dbraw/zinc/39/02/48/138390248.db2.gz ASMUUCQCHMFIRZ-QAPCUYQASA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(-c2ccccn2)c1 ZINC000127721865 138390251 /nfs/dbraw/zinc/39/02/51/138390251.db2.gz ASMUUCQCHMFIRZ-QAPCUYQASA-N 1 3 295.430 3.178 20 0 CGADHO c1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000422813256 235927148 /nfs/dbraw/zinc/92/71/48/235927148.db2.gz ZDMIKAJCLNNCCZ-FCLJQHQZSA-N 1 3 256.393 3.010 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCSCC1 ZINC000186966702 138445807 /nfs/dbraw/zinc/44/58/07/138445807.db2.gz SGFJJFMAGQYEKX-AWEZNQCLSA-N 1 3 292.492 3.370 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423223731 236000938 /nfs/dbraw/zinc/00/09/38/236000938.db2.gz HKGQIXDLSUEPSU-HZMBPMFUSA-N 1 3 252.789 3.118 20 0 CGADHO COC[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000423279733 236020606 /nfs/dbraw/zinc/02/06/06/236020606.db2.gz SYLAISVQFFPKPZ-CZUORRHYSA-N 1 3 296.842 3.007 20 0 CGADHO COc1cc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000423286141 236023906 /nfs/dbraw/zinc/02/39/06/236023906.db2.gz ZSJROYSICPLBLA-WHOFXGATSA-N 1 3 280.387 3.002 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000423308563 236033878 /nfs/dbraw/zinc/03/38/78/236033878.db2.gz OVPKJOCPQOHLHV-KDOFPFPSSA-N 1 3 286.394 3.294 20 0 CGADHO COCCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423364097 236050691 /nfs/dbraw/zinc/05/06/91/236050691.db2.gz JKOIQDDXWHSWSF-BBWFWOEESA-N 1 3 294.414 3.153 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423372180 236054072 /nfs/dbraw/zinc/05/40/72/236054072.db2.gz GWMDWLXCRSXRTR-CYBMUJFWSA-N 1 3 284.378 3.150 20 0 CGADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423394332 236062302 /nfs/dbraw/zinc/06/23/02/236062302.db2.gz RFVLZGCQVIVMLG-AUUYWEPGSA-N 1 3 296.414 3.156 20 0 CGADHO CCCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000262037128 283290034 /nfs/dbraw/zinc/29/00/34/283290034.db2.gz XWCQCYQGLJYSOG-RDJZCZTQSA-N 1 3 287.451 3.171 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423497928 236087458 /nfs/dbraw/zinc/08/74/58/236087458.db2.gz AMGFGWNROVFZJB-MDASCCDHSA-N 1 3 298.405 3.102 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423524273 236091758 /nfs/dbraw/zinc/09/17/58/236091758.db2.gz JDFBKQOZHLUVIP-FVWHLNICSA-N 1 3 276.468 3.308 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000423564916 236099325 /nfs/dbraw/zinc/09/93/25/236099325.db2.gz SKZBIQMKNNDNEP-QGZVFWFLSA-N 1 3 283.419 3.277 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000424381511 236159194 /nfs/dbraw/zinc/15/91/94/236159194.db2.gz QXGSWGKRUFJLQF-QZTJIDSGSA-N 1 3 288.435 3.368 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000425930101 236273861 /nfs/dbraw/zinc/27/38/61/236273861.db2.gz ZJVYPYWGKNOORG-DJIMGWMZSA-N 1 3 289.467 3.204 20 0 CGADHO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCCO2 ZINC000425944510 236275355 /nfs/dbraw/zinc/27/53/55/236275355.db2.gz NNPJRNDYCPJPIZ-PBHICJAKSA-N 1 3 290.451 3.304 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422946299 283463630 /nfs/dbraw/zinc/46/36/30/283463630.db2.gz OTAILFJILXOABC-HOCLYGCPSA-N 1 3 280.843 3.380 20 0 CGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cc[nH]c1 ZINC000177848486 189074450 /nfs/dbraw/zinc/07/44/50/189074450.db2.gz PVIDIUZNASANRE-HOTGVXAUSA-N 1 3 297.446 3.261 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)c1 ZINC000180719084 189271848 /nfs/dbraw/zinc/27/18/48/189271848.db2.gz GYIXUKVYSFTEAX-GOEBONIOSA-N 1 3 276.424 3.220 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240435 189291729 /nfs/dbraw/zinc/29/17/29/189291729.db2.gz OOLXYAUBXAAGPR-BRWVUGGUSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(C)c1 ZINC000181240435 189291730 /nfs/dbraw/zinc/29/17/30/189291730.db2.gz OOLXYAUBXAAGPR-BRWVUGGUSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(OC)cc1 ZINC000181844443 189308239 /nfs/dbraw/zinc/30/82/39/189308239.db2.gz ZZRABSRIHXAALL-WBVHZDCISA-N 1 3 276.424 3.220 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850595 189337177 /nfs/dbraw/zinc/33/71/77/189337177.db2.gz LHHROMZZNUGNMK-AEFFLSMTSA-N 1 3 290.426 3.174 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850595 189337178 /nfs/dbraw/zinc/33/71/78/189337178.db2.gz LHHROMZZNUGNMK-AEFFLSMTSA-N 1 3 290.426 3.174 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850595 189337179 /nfs/dbraw/zinc/33/71/79/189337179.db2.gz LHHROMZZNUGNMK-AEFFLSMTSA-N 1 3 290.426 3.174 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(CCCc3cccc(F)c3)CC[C@@H]21 ZINC000182850595 189337180 /nfs/dbraw/zinc/33/71/80/189337180.db2.gz LHHROMZZNUGNMK-AEFFLSMTSA-N 1 3 290.426 3.174 20 0 CGADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)cc2ccccc21 ZINC000451172229 240237459 /nfs/dbraw/zinc/23/74/59/240237459.db2.gz MXPQCUKPUYHYIP-CQSZACIVSA-N 1 3 286.419 3.136 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648148 193095887 /nfs/dbraw/zinc/09/58/87/193095887.db2.gz CHSPEHIIEFURMG-QGPMSJSTSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccc(F)cc1 ZINC000275648148 193095889 /nfs/dbraw/zinc/09/58/89/193095889.db2.gz CHSPEHIIEFURMG-QGPMSJSTSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000275648148 193095891 /nfs/dbraw/zinc/09/58/91/193095891.db2.gz CHSPEHIIEFURMG-QGPMSJSTSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000275648148 193095892 /nfs/dbraw/zinc/09/58/92/193095892.db2.gz CHSPEHIIEFURMG-QGPMSJSTSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@]1(CN2CCCC3(CCCCC3)C2)CC[NH2+]C1 ZINC000262107527 291380114 /nfs/dbraw/zinc/38/01/14/291380114.db2.gz WBKBZIOFIFCABS-HNNXBMFYSA-N 1 3 250.430 3.032 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(F)cc2Cl)C1 ZINC000459726984 242194165 /nfs/dbraw/zinc/19/41/65/242194165.db2.gz GVNJMHDSLOGJEL-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(F)cc2Cl)C1 ZINC000459726984 242194167 /nfs/dbraw/zinc/19/41/67/242194167.db2.gz GVNJMHDSLOGJEL-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000335498510 212178282 /nfs/dbraw/zinc/17/82/82/212178282.db2.gz OAGNQRSSDYXJNY-FBDPFYNOSA-N 1 3 282.790 3.195 20 0 CGADHO C[N@H+](CCCNC/C=C\c1ccncc1)Cc1ccccc1 ZINC000486966285 243388675 /nfs/dbraw/zinc/38/86/75/243388675.db2.gz FUUYKBXWPVKITK-UITAMQMPSA-N 1 3 295.430 3.207 20 0 CGADHO C[N@@H+](CCCNC/C=C\c1ccncc1)Cc1ccccc1 ZINC000486966285 243388680 /nfs/dbraw/zinc/38/86/80/243388680.db2.gz FUUYKBXWPVKITK-UITAMQMPSA-N 1 3 295.430 3.207 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc(C)o2)CC1 ZINC000121817332 370898739 /nfs/dbraw/zinc/89/87/39/370898739.db2.gz UTFZIKOGEKGPPW-AWEZNQCLSA-N 1 3 264.413 3.361 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000021008760 368808927 /nfs/dbraw/zinc/80/89/27/368808927.db2.gz MJSRCWACVDURFN-MRXNPFEDSA-N 1 3 290.451 3.468 20 0 CGADHO CCOc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000037140868 369068115 /nfs/dbraw/zinc/06/81/15/369068115.db2.gz ISHAGNKKKYFLQG-CQSZACIVSA-N 1 3 288.435 3.363 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037374176 369083019 /nfs/dbraw/zinc/08/30/19/369083019.db2.gz AZXIHJWQOQMNAV-WMLDXEAASA-N 1 3 273.424 3.219 20 0 CGADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccs1 ZINC000037374273 369083499 /nfs/dbraw/zinc/08/34/99/369083499.db2.gz BLPIUGJJCWFHJP-CYBMUJFWSA-N 1 3 287.432 3.463 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)CN1CCCCC1 ZINC000037997621 369135774 /nfs/dbraw/zinc/13/57/74/369135774.db2.gz HOVPFHFXYBYSJF-APWZRJJASA-N 1 3 286.463 3.256 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075692 369171884 /nfs/dbraw/zinc/17/18/84/369171884.db2.gz URWPDKCRHUZWIF-PBHICJAKSA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000041075692 369171889 /nfs/dbraw/zinc/17/18/89/369171889.db2.gz URWPDKCRHUZWIF-PBHICJAKSA-N 1 3 258.409 3.069 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000041075692 369171894 /nfs/dbraw/zinc/17/18/94/369171894.db2.gz URWPDKCRHUZWIF-PBHICJAKSA-N 1 3 258.409 3.069 20 0 CGADHO c1ccc([C@H](NCCC[NH+]2CCCC2)C2CC2)cc1 ZINC000041075331 369171916 /nfs/dbraw/zinc/17/19/16/369171916.db2.gz GAYWBUQPIUZGCV-KRWDZBQOSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000041075331 369171923 /nfs/dbraw/zinc/17/19/23/369171923.db2.gz GAYWBUQPIUZGCV-KRWDZBQOSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N(C)CC(C)(C)C[NH3+] ZINC000062018265 369615421 /nfs/dbraw/zinc/61/54/21/369615421.db2.gz FBDRLFCMKOEARW-LLVKDONJSA-N 1 3 254.805 3.318 20 0 CGADHO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(C)(C)CN ZINC000062018265 369615423 /nfs/dbraw/zinc/61/54/23/369615423.db2.gz FBDRLFCMKOEARW-LLVKDONJSA-N 1 3 254.805 3.318 20 0 CGADHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(C)(C)CN ZINC000062018265 369615427 /nfs/dbraw/zinc/61/54/27/369615427.db2.gz FBDRLFCMKOEARW-LLVKDONJSA-N 1 3 254.805 3.318 20 0 CGADHO Cc1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000062077928 369617837 /nfs/dbraw/zinc/61/78/37/369617837.db2.gz JPKMDIUTBJNLGB-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000062077928 369617840 /nfs/dbraw/zinc/61/78/40/369617840.db2.gz JPKMDIUTBJNLGB-JKSUJKDBSA-N 1 3 260.425 3.378 20 0 CGADHO CS[C@H](C)C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000090725657 370068239 /nfs/dbraw/zinc/06/82/39/370068239.db2.gz DKOCUKWXFXHOPH-ZIAGYGMSSA-N 1 3 296.480 3.029 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578657 370993561 /nfs/dbraw/zinc/99/35/61/370993561.db2.gz OPGYLELBNDOWBX-HUBLWGQQSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000129578657 370993564 /nfs/dbraw/zinc/99/35/64/370993564.db2.gz OPGYLELBNDOWBX-HUBLWGQQSA-N 1 3 266.816 3.473 20 0 CGADHO CC[NH2+]CC1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000129981885 371009162 /nfs/dbraw/zinc/00/91/62/371009162.db2.gz QWHISRLFWZGXIM-UHFFFAOYSA-N 1 3 290.451 3.004 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H](C)C1CCCCC1 ZINC000423363932 296164314 /nfs/dbraw/zinc/16/43/14/296164314.db2.gz CDGQKKBGCGJGAL-KQTLUZQSSA-N 1 3 252.446 3.179 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851127 376203875 /nfs/dbraw/zinc/20/38/75/376203875.db2.gz IKPGJEHVQWKSLA-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000537851127 376203881 /nfs/dbraw/zinc/20/38/81/376203881.db2.gz IKPGJEHVQWKSLA-IKGGRYGDSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000537852089 376203946 /nfs/dbraw/zinc/20/39/46/376203946.db2.gz UMLHTOPBCOOWFJ-IXDOHACOSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000537852089 376203951 /nfs/dbraw/zinc/20/39/51/376203951.db2.gz UMLHTOPBCOOWFJ-IXDOHACOSA-N 1 3 264.457 3.230 20 0 CGADHO c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134919067 371375286 /nfs/dbraw/zinc/37/52/86/371375286.db2.gz VYGRODUMUMAURC-AEFFLSMTSA-N 1 3 270.420 3.135 20 0 CGADHO c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134919067 371375291 /nfs/dbraw/zinc/37/52/91/371375291.db2.gz VYGRODUMUMAURC-AEFFLSMTSA-N 1 3 270.420 3.135 20 0 CGADHO Cc1ccc(F)cc1C[NH2+]CCCN1CCCCC1 ZINC000135872545 371451132 /nfs/dbraw/zinc/45/11/32/371451132.db2.gz GPKPJIZAQAEKSV-UHFFFAOYSA-N 1 3 264.388 3.100 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccs2)C1 ZINC000151104927 371570389 /nfs/dbraw/zinc/57/03/89/371570389.db2.gz XYRUAIILNXITKM-QWHCGFSZSA-N 1 3 252.427 3.131 20 0 CGADHO c1cc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000152691070 371715654 /nfs/dbraw/zinc/71/56/54/371715654.db2.gz SLLKMHZIYSWZSD-UHFFFAOYSA-N 1 3 264.438 3.056 20 0 CGADHO CC[C@H](O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000421878075 371693564 /nfs/dbraw/zinc/69/35/64/371693564.db2.gz MWZDQKSFPKQPJV-HNNXBMFYSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](CCCCOc2ccccc2)C[C@@H]1CN ZINC000422564336 371753143 /nfs/dbraw/zinc/75/31/43/371753143.db2.gz VRCWFJGTDYEUOG-ZACQAIPSSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCOc2ccccc2)C[C@@H]1CN ZINC000422564336 371753146 /nfs/dbraw/zinc/75/31/46/371753146.db2.gz VRCWFJGTDYEUOG-ZACQAIPSSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1C[C@@H](C)N(CCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000422564336 371753148 /nfs/dbraw/zinc/75/31/48/371753148.db2.gz VRCWFJGTDYEUOG-ZACQAIPSSA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc2ccccc2c1 ZINC000422704654 371760291 /nfs/dbraw/zinc/76/02/91/371760291.db2.gz QDYJBASMNNBCFB-KDOFPFPSSA-N 1 3 268.404 3.318 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422702691 371760323 /nfs/dbraw/zinc/76/03/23/371760323.db2.gz FUXOQVULPYXCLU-NVXWUHKLSA-N 1 3 274.452 3.380 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCCCOC1CCCCC1 ZINC000422712445 371763255 /nfs/dbraw/zinc/76/32/55/371763255.db2.gz OFLSYEYRYOVUKN-LSDHHAIUSA-N 1 3 270.461 3.221 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)cc2c1C ZINC000422726222 371770230 /nfs/dbraw/zinc/77/02/30/371770230.db2.gz ZJIVYSPBWRRCSY-SJKOYZFVSA-N 1 3 285.435 3.262 20 0 CGADHO COc1ccc(CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422731042 371773122 /nfs/dbraw/zinc/77/31/22/371773122.db2.gz GIYCANXDMRHJAX-RBUKOAKNSA-N 1 3 296.414 3.362 20 0 CGADHO C(COC1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422752275 371785366 /nfs/dbraw/zinc/78/53/66/371785366.db2.gz CMHSUEALWVBQAX-RCCFBDPRSA-N 1 3 294.483 3.236 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422757401 371787741 /nfs/dbraw/zinc/78/77/41/371787741.db2.gz CVSCXBIGKOJQCK-JKSUJKDBSA-N 1 3 276.399 3.107 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)COC(C)C)c1 ZINC000337343216 214019170 /nfs/dbraw/zinc/01/91/70/214019170.db2.gz SCDPVMPUAWHGHE-MRXNPFEDSA-N 1 3 292.467 3.432 20 0 CGADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422831388 371833237 /nfs/dbraw/zinc/83/32/37/371833237.db2.gz SOKRNBYUDBJEKA-IAGOWNOFSA-N 1 3 276.424 3.223 20 0 CGADHO CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1ccc(Cl)cc1 ZINC000422785252 371805156 /nfs/dbraw/zinc/80/51/56/371805156.db2.gz NCDMZZOFNRFJKD-OWCLPIDISA-N 1 3 296.842 3.277 20 0 CGADHO C[C@H](OCCC[NH2+][C@@H]1CCNCC[C@H]1C)c1ccccc1 ZINC000422786105 371809366 /nfs/dbraw/zinc/80/93/66/371809366.db2.gz OLRAOYDJEZMBJB-SOLBZPMBSA-N 1 3 290.451 3.132 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000422813027 371824960 /nfs/dbraw/zinc/82/49/60/371824960.db2.gz RHZZHYKETDWJSU-IKGGRYGDSA-N 1 3 260.425 3.143 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422816003 371827570 /nfs/dbraw/zinc/82/75/70/371827570.db2.gz CWNXKRNCQWXLQA-XQHKEYJVSA-N 1 3 278.362 3.085 20 0 CGADHO CCS[C@@H]1CCC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422820989 371828737 /nfs/dbraw/zinc/82/87/37/371828737.db2.gz TXVVZBGYBJQGJQ-XQLPTFJDSA-N 1 3 270.486 3.171 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867345 371844593 /nfs/dbraw/zinc/84/45/93/371844593.db2.gz RYIAMIOMVKVFOV-ZWKOTPCHSA-N 1 3 282.387 3.448 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422944969 371884948 /nfs/dbraw/zinc/88/49/48/371884948.db2.gz MKSVEZOQALNUTD-QZTJIDSGSA-N 1 3 268.404 3.099 20 0 CGADHO CC(C)CC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCC1 ZINC000422872156 371846412 /nfs/dbraw/zinc/84/64/12/371846412.db2.gz FYOTXOHHRIHDCU-GJZGRUSLSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422877192 371850125 /nfs/dbraw/zinc/85/01/25/371850125.db2.gz HDCICMSCSLUGQS-UONOGXRCSA-N 1 3 278.415 3.353 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccc(F)cc2)CCCC1 ZINC000422877192 371850127 /nfs/dbraw/zinc/85/01/27/371850127.db2.gz HDCICMSCSLUGQS-UONOGXRCSA-N 1 3 278.415 3.353 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000422884717 371854114 /nfs/dbraw/zinc/85/41/14/371854114.db2.gz FLCFPWVYAJHZMS-VHSSKADRSA-N 1 3 294.398 3.287 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422891754 371857984 /nfs/dbraw/zinc/85/79/84/371857984.db2.gz WJMMUQUCESBZKW-YOEHRIQHSA-N 1 3 285.435 3.078 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422899610 371861610 /nfs/dbraw/zinc/86/16/10/371861610.db2.gz HVMPLWBNFQUKCH-IRXDYDNUSA-N 1 3 272.436 3.276 20 0 CGADHO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1Cl ZINC000422948097 371886053 /nfs/dbraw/zinc/88/60/53/371886053.db2.gz ZQYWIZABIRQJQT-KGLIPLIRSA-N 1 3 282.815 3.098 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc2ccccc21 ZINC000422917378 371868362 /nfs/dbraw/zinc/86/83/62/371868362.db2.gz DNZOZZIMSRJUHC-KDOFPFPSSA-N 1 3 268.404 3.318 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422931533 371877528 /nfs/dbraw/zinc/87/75/28/371877528.db2.gz XTKYKGDBTIKYQT-DCAQKATOSA-N 1 3 290.329 3.362 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2ccc(Cl)cc2)CCC1 ZINC000422933485 371877556 /nfs/dbraw/zinc/87/75/56/371877556.db2.gz DNNANEDMXFSHMI-VXGBXAGGSA-N 1 3 266.816 3.435 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422931658 371877769 /nfs/dbraw/zinc/87/77/69/371877769.db2.gz CFXILVHGBIYASE-XJKSGUPXSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1csc2ccccc12 ZINC000422931658 371877776 /nfs/dbraw/zinc/87/77/76/371877776.db2.gz CFXILVHGBIYASE-XJKSGUPXSA-N 1 3 288.460 3.422 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422847655 371839292 /nfs/dbraw/zinc/83/92/92/371839292.db2.gz IPPSEKRLNGZHMY-ROUUACIJSA-N 1 3 288.435 3.368 20 0 CGADHO CC(C)(C)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422851271 371840198 /nfs/dbraw/zinc/84/01/98/371840198.db2.gz WSZVIOPVCYGCCA-JWTNVVGKSA-N 1 3 286.463 3.399 20 0 CGADHO C[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)N(C)c1ccccc1 ZINC000422853789 371840756 /nfs/dbraw/zinc/84/07/56/371840756.db2.gz CHBHCHCAHIPLEV-NIKGAXFTSA-N 1 3 295.430 3.246 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000422860804 371842862 /nfs/dbraw/zinc/84/28/62/371842862.db2.gz NCUGDZAINVSWBB-GUYCJALGSA-N 1 3 287.382 3.027 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000154903406 371888687 /nfs/dbraw/zinc/88/86/87/371888687.db2.gz ZCSUQKCEPHTEIZ-KRWDZBQOSA-N 1 3 296.499 3.434 20 0 CGADHO CO[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC000154903406 371888692 /nfs/dbraw/zinc/88/86/92/371888692.db2.gz ZCSUQKCEPHTEIZ-KRWDZBQOSA-N 1 3 296.499 3.434 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422949709 371889280 /nfs/dbraw/zinc/88/92/80/371889280.db2.gz VYZPFNFWJRZRGS-ZBFHGGJFSA-N 1 3 280.843 3.380 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000422984637 371901445 /nfs/dbraw/zinc/90/14/45/371901445.db2.gz BEHDUJRDGGSZAD-IAOVAPTHSA-N 1 3 276.399 3.310 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000422994060 371906464 /nfs/dbraw/zinc/90/64/64/371906464.db2.gz GPZGXDUGRZWVFX-HKUYNNGSSA-N 1 3 295.430 3.498 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422994008 371906801 /nfs/dbraw/zinc/90/68/01/371906801.db2.gz UNGWUTNAFATKII-YYEFJNLCSA-N 1 3 298.474 3.473 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)C1CCCC1 ZINC000423001037 371909958 /nfs/dbraw/zinc/90/99/58/371909958.db2.gz HKFXSFXHXPWGOO-ZFWWWQNUSA-N 1 3 252.446 3.310 20 0 CGADHO CSCc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000423064747 371943677 /nfs/dbraw/zinc/94/36/77/371943677.db2.gz ZQYSGUHZXOKVES-HZPDHXFCSA-N 1 3 278.465 3.299 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423009840 371914100 /nfs/dbraw/zinc/91/41/00/371914100.db2.gz FCHWNJJEGBQYHT-BLLLJJGKSA-N 1 3 294.389 3.104 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCC1(c2ccc(F)cc2F)CC1 ZINC000423009840 371914113 /nfs/dbraw/zinc/91/41/13/371914113.db2.gz FCHWNJJEGBQYHT-BLLLJJGKSA-N 1 3 294.389 3.104 20 0 CGADHO COCC[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000423102833 371965558 /nfs/dbraw/zinc/96/55/58/371965558.db2.gz ABCARTGGKHGWAJ-XHSDSOJGSA-N 1 3 276.424 3.172 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423123367 371976218 /nfs/dbraw/zinc/97/62/18/371976218.db2.gz MMNAGENLFNSPRE-SGMGOOAPSA-N 1 3 288.357 3.123 20 0 CGADHO C[C@@H]1C[C@@H](CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000423117949 371976287 /nfs/dbraw/zinc/97/62/87/371976287.db2.gz XXAZDXLPWQQVBF-BKZBBRBJSA-N 1 3 288.435 3.315 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423135120 371985230 /nfs/dbraw/zinc/98/52/30/371985230.db2.gz SQQGTCQWODNVKG-QSPRXWTASA-N 1 3 276.399 3.321 20 0 CGADHO Cc1cccc(CN[C@H](C)CCCC[NH3+])c1Br ZINC000423067807 371945395 /nfs/dbraw/zinc/94/53/95/371945395.db2.gz IPMVSZINJAGBEQ-GFCCVEGCSA-N 1 3 299.256 3.365 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCC23CCCC3)c2ccccc21 ZINC000423074624 371947481 /nfs/dbraw/zinc/94/74/81/371947481.db2.gz MJRJTEBUPMYCLV-OAGGEKHMSA-N 1 3 256.393 3.444 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)c(C)c1 ZINC000423186779 372015228 /nfs/dbraw/zinc/01/52/28/372015228.db2.gz XIGCAGHOQWRZGW-AWEZNQCLSA-N 1 3 276.424 3.316 20 0 CGADHO Fc1ccccc1C[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000423189216 372016871 /nfs/dbraw/zinc/01/68/71/372016871.db2.gz QOBGDXWOLFJYIV-IBGZPJMESA-N 1 3 298.405 3.451 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157382231 372018268 /nfs/dbraw/zinc/01/82/68/372018268.db2.gz ZIDDJGGWISOWQV-LSDHHAIUSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000157382231 372018271 /nfs/dbraw/zinc/01/82/71/372018271.db2.gz ZIDDJGGWISOWQV-LSDHHAIUSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)Cc2ccccc2F)C1 ZINC000157382231 372018273 /nfs/dbraw/zinc/01/82/73/372018273.db2.gz ZIDDJGGWISOWQV-LSDHHAIUSA-N 1 3 278.415 3.077 20 0 CGADHO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+][C@@H]1CCNC1 ZINC000423201580 372024925 /nfs/dbraw/zinc/02/49/25/372024925.db2.gz JAHBAMLINKKLIW-CVEARBPZSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+]C2)c2sccc21 ZINC000423219452 372037858 /nfs/dbraw/zinc/03/78/58/372037858.db2.gz WUSXFBBALWBTOO-DYEKYZERSA-N 1 3 264.438 3.276 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)c2sccc21 ZINC000423219452 372037864 /nfs/dbraw/zinc/03/78/64/372037864.db2.gz WUSXFBBALWBTOO-DYEKYZERSA-N 1 3 264.438 3.276 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@H]2CCCNC2)C[C@@H]1c1ccccc1 ZINC000423220588 372039960 /nfs/dbraw/zinc/03/99/60/372039960.db2.gz YIXNYIDNIDUBEH-USXIJHARSA-N 1 3 272.436 3.158 20 0 CGADHO CC1(C)[C@H](NC[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423220588 372039963 /nfs/dbraw/zinc/03/99/63/372039963.db2.gz YIXNYIDNIDUBEH-USXIJHARSA-N 1 3 272.436 3.158 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000423351192 372053606 /nfs/dbraw/zinc/05/36/06/372053606.db2.gz YROVGEVWMDNTIW-PMPSAXMXSA-N 1 3 252.446 3.181 20 0 CGADHO NC1(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCC1 ZINC000423339020 372054247 /nfs/dbraw/zinc/05/42/47/372054247.db2.gz WGISDGUPAFHGBW-LBPRGKRZSA-N 1 3 285.218 3.452 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423391080 372057425 /nfs/dbraw/zinc/05/74/25/372057425.db2.gz PFSSDMSVJFVMGN-IGCXYCKISA-N 1 3 258.409 3.204 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423386660 372058093 /nfs/dbraw/zinc/05/80/93/372058093.db2.gz MGILFFHBMXTCKQ-WBOJAVRRSA-N 1 3 258.409 3.485 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2N[C@H]2CCC[NH2+]C2)cc1 ZINC000423181115 372008567 /nfs/dbraw/zinc/00/85/67/372008567.db2.gz FNNIAGFMGJRZDI-ULQDDVLXSA-N 1 3 258.409 3.054 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCc3ccccc32)CCCCC1 ZINC000423178951 372008883 /nfs/dbraw/zinc/00/88/83/372008883.db2.gz LKJKXTAJSMPESB-MRXNPFEDSA-N 1 3 258.409 3.315 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000423527378 372071143 /nfs/dbraw/zinc/07/11/43/372071143.db2.gz METCXQWHGOKPBS-ZWKOTPCHSA-N 1 3 272.436 3.445 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000426334612 372154109 /nfs/dbraw/zinc/15/41/09/372154109.db2.gz AQRXPDHWMBNUBF-RDJZCZTQSA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000426334612 372154118 /nfs/dbraw/zinc/15/41/18/372154118.db2.gz AQRXPDHWMBNUBF-RDJZCZTQSA-N 1 3 296.499 3.292 20 0 CGADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000425363498 372122727 /nfs/dbraw/zinc/12/27/27/372122727.db2.gz WLAZWCDJQGFCTR-LQKXBSAESA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425363498 372122729 /nfs/dbraw/zinc/12/27/29/372122729.db2.gz WLAZWCDJQGFCTR-LQKXBSAESA-N 1 3 282.497 3.123 20 0 CGADHO CS[C@@H]1CC[C@@H]1N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425363498 372122731 /nfs/dbraw/zinc/12/27/31/372122731.db2.gz WLAZWCDJQGFCTR-LQKXBSAESA-N 1 3 282.497 3.123 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1cscn1 ZINC000162296104 372385932 /nfs/dbraw/zinc/38/59/32/372385932.db2.gz CYSXZTCZGFZHFP-STQMWFEESA-N 1 3 269.458 3.304 20 0 CGADHO CC1=CC[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000293550388 372409883 /nfs/dbraw/zinc/40/98/83/372409883.db2.gz GXQBHVOMBYALDP-QGZVFWFLSA-N 1 3 258.409 3.337 20 0 CGADHO C[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000430972505 372412530 /nfs/dbraw/zinc/41/25/30/372412530.db2.gz QCZJAKLAGJTUGU-KBXCAEBGSA-N 1 3 268.404 3.051 20 0 CGADHO C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1N ZINC000430972505 372412534 /nfs/dbraw/zinc/41/25/34/372412534.db2.gz QCZJAKLAGJTUGU-KBXCAEBGSA-N 1 3 268.404 3.051 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)C(C)(C)c2ccccc2)C1 ZINC000163222368 372456004 /nfs/dbraw/zinc/45/60/04/372456004.db2.gz OJEFQPPSRHQFSU-JKSUJKDBSA-N 1 3 274.452 3.284 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000163604018 372482885 /nfs/dbraw/zinc/48/28/85/372482885.db2.gz SSXCQMKPBNBIBT-TVFCKZIOSA-N 1 3 270.420 3.007 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000163604018 372482893 /nfs/dbraw/zinc/48/28/93/372482893.db2.gz SSXCQMKPBNBIBT-TVFCKZIOSA-N 1 3 270.420 3.007 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000163656519 372486986 /nfs/dbraw/zinc/48/69/86/372486986.db2.gz WTQASAOEVABJKU-MAUKXSAKSA-N 1 3 290.451 3.043 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163656519 372486995 /nfs/dbraw/zinc/48/69/95/372486995.db2.gz WTQASAOEVABJKU-MAUKXSAKSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cs1 ZINC000294083539 372575447 /nfs/dbraw/zinc/57/54/47/372575447.db2.gz ALQSNPUXOGCQJC-GFCCVEGCSA-N 1 3 254.443 3.295 20 0 CGADHO CC[C@H](NC1CC[NH+](CC)CC1)c1cccc(F)c1 ZINC000166537714 372576823 /nfs/dbraw/zinc/57/68/23/372576823.db2.gz AHYQRAFCPRPCOH-INIZCTEOSA-N 1 3 264.388 3.351 20 0 CGADHO CCN(C/C=C/c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435378900 372753682 /nfs/dbraw/zinc/75/36/82/372753682.db2.gz ACPYKQMQSGPJGU-BDUNBXCCSA-N 1 3 276.399 3.303 20 0 CGADHO c1ccc(CN(CC2CCCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435390846 372758035 /nfs/dbraw/zinc/75/80/35/372758035.db2.gz CFEDVIVVLBKGLU-GOSISDBHSA-N 1 3 287.451 3.216 20 0 CGADHO CCC(CC)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435392736 372758238 /nfs/dbraw/zinc/75/82/38/372758238.db2.gz HRCFMCJUIHOTMR-GOSISDBHSA-N 1 3 289.467 3.462 20 0 CGADHO CN(Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435447483 372765816 /nfs/dbraw/zinc/76/58/16/372765816.db2.gz PJLWSUYEHAYTCC-GOSISDBHSA-N 1 3 295.430 3.323 20 0 CGADHO CN(CCc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435609865 372784927 /nfs/dbraw/zinc/78/49/27/372784927.db2.gz CQUIQLJPAOQRNY-IBGZPJMESA-N 1 3 282.431 3.456 20 0 CGADHO C[N@H+](CCc1ccc2ccccc2c1)[C@H]1CCCNCC1 ZINC000435609865 372784935 /nfs/dbraw/zinc/78/49/35/372784935.db2.gz CQUIQLJPAOQRNY-IBGZPJMESA-N 1 3 282.431 3.456 20 0 CGADHO C[N@@H+](CCc1ccc2ccccc2c1)[C@H]1CCCNCC1 ZINC000435609865 372784939 /nfs/dbraw/zinc/78/49/39/372784939.db2.gz CQUIQLJPAOQRNY-IBGZPJMESA-N 1 3 282.431 3.456 20 0 CGADHO C[NH2+]CCCN1CCCC[C@@H]1c1cccc(C)c1C ZINC000435882258 372822725 /nfs/dbraw/zinc/82/27/25/372822725.db2.gz XQTGXVHZDUTKNA-QGZVFWFLSA-N 1 3 260.425 3.440 20 0 CGADHO CNCCC[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000435882258 372822734 /nfs/dbraw/zinc/82/27/34/372822734.db2.gz XQTGXVHZDUTKNA-QGZVFWFLSA-N 1 3 260.425 3.440 20 0 CGADHO CNCCC[N@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000435882258 372822740 /nfs/dbraw/zinc/82/27/40/372822740.db2.gz XQTGXVHZDUTKNA-QGZVFWFLSA-N 1 3 260.425 3.440 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)O[C@@H]1C ZINC000295507195 372807868 /nfs/dbraw/zinc/80/78/68/372807868.db2.gz UPHIOHCWTBHDQK-RKVPGOIHSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1C[C@@H](C)O[C@@H]1C ZINC000295507195 372807872 /nfs/dbraw/zinc/80/78/72/372807872.db2.gz UPHIOHCWTBHDQK-RKVPGOIHSA-N 1 3 290.451 3.182 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000333243530 205147315 /nfs/dbraw/zinc/14/73/15/205147315.db2.gz FHEWQLJOEIKBIY-QZWWFDLISA-N 1 3 287.451 3.276 20 0 CGADHO CC[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)OC ZINC000353542884 220149459 /nfs/dbraw/zinc/14/94/59/220149459.db2.gz WKSWUJNGNRCFGN-USXIJHARSA-N 1 3 282.472 3.044 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172843053 373046209 /nfs/dbraw/zinc/04/62/09/373046209.db2.gz QYONCABRSFKXIL-RHSMWYFYSA-N 1 3 260.425 3.164 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172843053 373046214 /nfs/dbraw/zinc/04/62/14/373046214.db2.gz QYONCABRSFKXIL-RHSMWYFYSA-N 1 3 260.425 3.164 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1CCCOc1cccc2ccccc21 ZINC000442767002 373074979 /nfs/dbraw/zinc/07/49/79/373074979.db2.gz PNJMNZWMBGKIFE-JKSUJKDBSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCOc1cccc2ccccc21 ZINC000442767002 373074990 /nfs/dbraw/zinc/07/49/90/373074990.db2.gz PNJMNZWMBGKIFE-JKSUJKDBSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCOc1cccc2ccccc21 ZINC000442767002 373075002 /nfs/dbraw/zinc/07/50/02/373075002.db2.gz PNJMNZWMBGKIFE-JKSUJKDBSA-N 1 3 298.430 3.278 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000443652342 373161987 /nfs/dbraw/zinc/16/19/87/373161987.db2.gz GDIZRZREWPSDHY-OKZBNKHCSA-N 1 3 276.468 3.397 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000443652342 373161992 /nfs/dbraw/zinc/16/19/92/373161992.db2.gz GDIZRZREWPSDHY-OKZBNKHCSA-N 1 3 276.468 3.397 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000442918072 373127914 /nfs/dbraw/zinc/12/79/14/373127914.db2.gz BWBPDUVLNJNUEW-GFCCVEGCSA-N 1 3 276.355 3.133 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000173360060 373131018 /nfs/dbraw/zinc/13/10/18/373131018.db2.gz YBTCOUPMYHLYDJ-ULQDDVLXSA-N 1 3 290.451 3.227 20 0 CGADHO Cc1ccccc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298348438 373298728 /nfs/dbraw/zinc/29/87/28/373298728.db2.gz JQFUKKANPJONDC-UHFFFAOYSA-N 1 3 295.430 3.191 20 0 CGADHO CCc1ccc([C@H]([NH2+]CCOCCN(C)C)C(C)C)cc1 ZINC000447593470 373461457 /nfs/dbraw/zinc/46/14/57/373461457.db2.gz SDBRRYWZQRZAEP-GOSISDBHSA-N 1 3 292.467 3.114 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000448067163 373545842 /nfs/dbraw/zinc/54/58/42/373545842.db2.gz ORERHNZXRVJBNY-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449133562 373663142 /nfs/dbraw/zinc/66/31/42/373663142.db2.gz YXKGXIRFXKKCBX-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2n1 ZINC000301348048 373754808 /nfs/dbraw/zinc/75/48/08/373754808.db2.gz KLALUSQUWQHIRQ-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2n1 ZINC000301348048 373754813 /nfs/dbraw/zinc/75/48/13/373754813.db2.gz KLALUSQUWQHIRQ-OAHLLOKOSA-N 1 3 283.419 3.321 20 0 CGADHO COCCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000178247667 373757208 /nfs/dbraw/zinc/75/72/08/373757208.db2.gz BPFCCYXLNACHHO-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000178752878 373808832 /nfs/dbraw/zinc/80/88/32/373808832.db2.gz HQIKVGVIUABSRP-AWEZNQCLSA-N 1 3 283.419 3.227 20 0 CGADHO C[C@H]1C[C@H](NCCc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000179536044 373882953 /nfs/dbraw/zinc/88/29/53/373882953.db2.gz KRIMKEXKXKGOEZ-QWHCGFSZSA-N 1 3 295.496 3.055 20 0 CGADHO C[C@H]1C[C@H](NCCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536044 373882961 /nfs/dbraw/zinc/88/29/61/373882961.db2.gz KRIMKEXKXKGOEZ-QWHCGFSZSA-N 1 3 295.496 3.055 20 0 CGADHO CC[C@@H]1CN(c2cc[nH+]c(C)c2)CCN1Cc1ccccc1 ZINC000302395657 373861871 /nfs/dbraw/zinc/86/18/71/373861871.db2.gz GIZKNPYNRXHTGC-GOSISDBHSA-N 1 3 295.430 3.491 20 0 CGADHO COC1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000180201905 373977290 /nfs/dbraw/zinc/97/72/90/373977290.db2.gz DGMSAVPRFJBPBE-NVXWUHKLSA-N 1 3 294.483 3.188 20 0 CGADHO COC1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000180201905 373977296 /nfs/dbraw/zinc/97/72/96/373977296.db2.gz DGMSAVPRFJBPBE-NVXWUHKLSA-N 1 3 294.483 3.188 20 0 CGADHO c1cc(N2CCC(C[NH2+]C[C@H]3CC=CCC3)CC2)ccn1 ZINC000180276194 373986601 /nfs/dbraw/zinc/98/66/01/373986601.db2.gz MACUJKYIZOZCSH-INIZCTEOSA-N 1 3 285.435 3.244 20 0 CGADHO C[C@H](C[NH2+]CCc1ccc(Cl)cc1)CN1CCCC1 ZINC000308460682 374167523 /nfs/dbraw/zinc/16/75/23/374167523.db2.gz PUSNLWBEEAYJSK-CQSZACIVSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@H](CNCCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000308460682 374167532 /nfs/dbraw/zinc/16/75/32/374167532.db2.gz PUSNLWBEEAYJSK-CQSZACIVSA-N 1 3 280.843 3.204 20 0 CGADHO CCN1CC[C@H](C[NH2+]CC2CCC(C(C)C)CC2)C1 ZINC000311425249 374241556 /nfs/dbraw/zinc/24/15/56/374241556.db2.gz PGABOCQNLGPYMK-AQFXKWCLSA-N 1 3 266.473 3.380 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313091208 374299269 /nfs/dbraw/zinc/29/92/69/374299269.db2.gz ZFXIOWOWDCVQQD-ILXRZTDVSA-N 1 3 250.430 3.349 20 0 CGADHO Cc1ccc([C@@H](NCCC[NH+](C)C)C2CCC2)cc1 ZINC000186913543 374939024 /nfs/dbraw/zinc/93/90/24/374939024.db2.gz ILNRNNZGRKGRQP-KRWDZBQOSA-N 1 3 260.425 3.378 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCNCC2)c2ccccc21 ZINC000335023602 375076825 /nfs/dbraw/zinc/07/68/25/375076825.db2.gz SRQBOPNCLUUBFI-IAGOWNOFSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H]1CCC[C@@H](C[N@@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126016 375130483 /nfs/dbraw/zinc/13/04/83/375130483.db2.gz YXUUYAYHKKBSOP-JKSUJKDBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCC[C@@H](C[N@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126016 375130486 /nfs/dbraw/zinc/13/04/86/375130486.db2.gz YXUUYAYHKKBSOP-JKSUJKDBSA-N 1 3 264.457 3.373 20 0 CGADHO COC[C@@H](CC(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000484453914 375187642 /nfs/dbraw/zinc/18/76/42/375187642.db2.gz CGCFOEMQMKBWOZ-MRXNPFEDSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)CS1 ZINC000488437989 375308831 /nfs/dbraw/zinc/30/88/31/375308831.db2.gz LREYCRLTXIVETQ-PMPSAXMXSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)CS1 ZINC000488437989 375308840 /nfs/dbraw/zinc/30/88/40/375308840.db2.gz LREYCRLTXIVETQ-PMPSAXMXSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)CS1 ZINC000488437989 375308843 /nfs/dbraw/zinc/30/88/43/375308843.db2.gz LREYCRLTXIVETQ-PMPSAXMXSA-N 1 3 284.513 3.371 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192720678 375782025 /nfs/dbraw/zinc/78/20/25/375782025.db2.gz NWVCKQVOJBVKJY-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO CCOC1CC(C[NH2+][C@H]2CCCC[C@@H]2CN(CC)CC)C1 ZINC000509127346 375773302 /nfs/dbraw/zinc/77/33/02/375773302.db2.gz WUKJSAKEHJDQQA-FPQWYMTMSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000520406632 375853488 /nfs/dbraw/zinc/85/34/88/375853488.db2.gz OAOWMTSDKYQZSC-SDDRHHMPSA-N 1 3 299.256 3.268 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)c1cccc(Br)c1 ZINC000520406632 375853491 /nfs/dbraw/zinc/85/34/91/375853491.db2.gz OAOWMTSDKYQZSC-SDDRHHMPSA-N 1 3 299.256 3.268 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1Cl ZINC000520935322 375872443 /nfs/dbraw/zinc/87/24/43/375872443.db2.gz QFRZPDBIVKNSSR-VXGBXAGGSA-N 1 3 284.831 3.197 20 0 CGADHO COc1ccc(CCN(CCC[NH3+])Cc2ccccc2)cc1 ZINC000336722097 375921325 /nfs/dbraw/zinc/92/13/25/375921325.db2.gz VMPFGZAVJKIUPC-UHFFFAOYSA-N 1 3 298.430 3.089 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccoc1 ZINC000195139479 376083273 /nfs/dbraw/zinc/08/32/73/376083273.db2.gz WPUNREOGJZGVLW-WBVHZDCISA-N 1 3 284.403 3.452 20 0 CGADHO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951298 376136204 /nfs/dbraw/zinc/13/62/04/376136204.db2.gz CNBGJBHMGCRXJP-KSSFIOAISA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc3c(c2)CNCC3)C1 ZINC000211951298 376136207 /nfs/dbraw/zinc/13/62/07/376136207.db2.gz CNBGJBHMGCRXJP-KSSFIOAISA-N 1 3 272.436 3.343 20 0 CGADHO COCC[C@H](c1ccccc1)[N@H+](C)CCCN1CCCC1 ZINC000337267420 376179021 /nfs/dbraw/zinc/17/90/21/376179021.db2.gz IVZIEIRRRISAIL-GOSISDBHSA-N 1 3 290.451 3.182 20 0 CGADHO COCC[C@H](c1ccccc1)[N@@H+](C)CCCN1CCCC1 ZINC000337267420 376179026 /nfs/dbraw/zinc/17/90/26/376179026.db2.gz IVZIEIRRRISAIL-GOSISDBHSA-N 1 3 290.451 3.182 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000222022347 376228265 /nfs/dbraw/zinc/22/82/65/376228265.db2.gz APIYYRQPOMSGKQ-ZACQAIPSSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000222022347 376228270 /nfs/dbraw/zinc/22/82/70/376228270.db2.gz APIYYRQPOMSGKQ-ZACQAIPSSA-N 1 3 290.838 3.024 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000539506931 376316118 /nfs/dbraw/zinc/31/61/18/376316118.db2.gz HWRDFKAYZGFCOO-GOSISDBHSA-N 1 3 290.426 3.244 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000338299779 376322624 /nfs/dbraw/zinc/32/26/24/376322624.db2.gz ZQGLDAWHOUOEIW-DAYGRLMNSA-N 1 3 290.451 3.261 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNc2ccnc3ccccc32)C1 ZINC000227666152 376403275 /nfs/dbraw/zinc/40/32/75/376403275.db2.gz XCBUXIWTIZDLSY-QWHCGFSZSA-N 1 3 255.365 3.164 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000540194966 376366279 /nfs/dbraw/zinc/36/62/79/376366279.db2.gz MRPVLVDHWMNZBT-DNVCBOLYSA-N 1 3 298.430 3.148 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000540194966 376366283 /nfs/dbraw/zinc/36/62/83/376366283.db2.gz MRPVLVDHWMNZBT-DNVCBOLYSA-N 1 3 298.430 3.148 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000540505199 376378073 /nfs/dbraw/zinc/37/80/73/376378073.db2.gz VPJLSWOEXRKUDY-ZBFHGGJFSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000540505199 376378080 /nfs/dbraw/zinc/37/80/80/376378080.db2.gz VPJLSWOEXRKUDY-ZBFHGGJFSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000540505199 376378085 /nfs/dbraw/zinc/37/80/85/376378085.db2.gz VPJLSWOEXRKUDY-ZBFHGGJFSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000540505199 376378093 /nfs/dbraw/zinc/37/80/93/376378093.db2.gz VPJLSWOEXRKUDY-ZBFHGGJFSA-N 1 3 252.446 3.086 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@H]21 ZINC000228472775 376436323 /nfs/dbraw/zinc/43/63/23/376436323.db2.gz SSZRTQBEYQAYSZ-VDHUWJSZSA-N 1 3 270.420 3.123 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@H]21 ZINC000228472775 376436331 /nfs/dbraw/zinc/43/63/31/376436331.db2.gz SSZRTQBEYQAYSZ-VDHUWJSZSA-N 1 3 270.420 3.123 20 0 CGADHO C[N@H+](CC1CCC1)[C@H]1CCCN(CC2CCC2)CC1 ZINC000338939930 376586730 /nfs/dbraw/zinc/58/67/30/376586730.db2.gz HIMDQALGZLZLOR-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@@H+](CC1CCC1)[C@H]1CCCN(CC2CCC2)CC1 ZINC000338939930 376586738 /nfs/dbraw/zinc/58/67/38/376586738.db2.gz HIMDQALGZLZLOR-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1ccc([C@@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000543253307 376624911 /nfs/dbraw/zinc/62/49/11/376624911.db2.gz OVVFXXMZLDPISI-QZTJIDSGSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccc([C@@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253307 376624913 /nfs/dbraw/zinc/62/49/13/376624913.db2.gz OVVFXXMZLDPISI-QZTJIDSGSA-N 1 3 272.436 3.269 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543394837 376634654 /nfs/dbraw/zinc/63/46/54/376634654.db2.gz OJLSGVJNDOHTKL-KBAYOESNSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543394837 376634662 /nfs/dbraw/zinc/63/46/62/376634662.db2.gz OJLSGVJNDOHTKL-KBAYOESNSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@]1(C[NH3+])CCN(Cc2csc3ccccc23)C1 ZINC000235735079 376650797 /nfs/dbraw/zinc/65/07/97/376650797.db2.gz VHROXPLDDZWQLK-OAHLLOKOSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@]1(CN)CC[N@H+](Cc2csc3ccccc23)C1 ZINC000235735079 376650803 /nfs/dbraw/zinc/65/08/03/376650803.db2.gz VHROXPLDDZWQLK-OAHLLOKOSA-N 1 3 260.406 3.072 20 0 CGADHO C[C@]1(CN)CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000235735079 376650808 /nfs/dbraw/zinc/65/08/08/376650808.db2.gz VHROXPLDDZWQLK-OAHLLOKOSA-N 1 3 260.406 3.072 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)CC[NH+](C)C)CCC2 ZINC000339067083 376657465 /nfs/dbraw/zinc/65/74/65/376657465.db2.gz IQMUNBWKLADPKF-WMLDXEAASA-N 1 3 260.425 3.302 20 0 CGADHO C[C@@H](C[NH+]1CCC2(CCCN2C)CC1)c1ccccc1 ZINC000544129490 376707780 /nfs/dbraw/zinc/70/77/80/376707780.db2.gz MHCRUFJURCQHES-INIZCTEOSA-N 1 3 272.436 3.350 20 0 CGADHO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156128186 542126503 /nfs/dbraw/zinc/12/65/03/542126503.db2.gz CBZVJCKXIKEUJY-FPCVCCKLSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@H]1CCC[N@H+](C)C1 ZINC000245506618 376834026 /nfs/dbraw/zinc/83/40/26/376834026.db2.gz OFRMAVAHKZWZLL-INMHGKMJSA-N 1 3 272.436 3.475 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@H]1CCC[N@@H+](C)C1 ZINC000245506618 376834031 /nfs/dbraw/zinc/83/40/31/376834031.db2.gz OFRMAVAHKZWZLL-INMHGKMJSA-N 1 3 272.436 3.475 20 0 CGADHO CC1=CC[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000556811857 376882540 /nfs/dbraw/zinc/88/25/40/376882540.db2.gz YSHDPWWTMDZPOD-HOTGVXAUSA-N 1 3 250.430 3.339 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246407005 377024440 /nfs/dbraw/zinc/02/44/40/377024440.db2.gz AWHXLLDYEJNJDU-RDJZCZTQSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246407005 377024450 /nfs/dbraw/zinc/02/44/50/377024450.db2.gz AWHXLLDYEJNJDU-RDJZCZTQSA-N 1 3 260.425 3.157 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246417525 377025714 /nfs/dbraw/zinc/02/57/14/377025714.db2.gz BWHBJRRJHXZJOW-HKUYNNGSSA-N 1 3 284.447 3.444 20 0 CGADHO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246417525 377025718 /nfs/dbraw/zinc/02/57/18/377025718.db2.gz BWHBJRRJHXZJOW-HKUYNNGSSA-N 1 3 284.447 3.444 20 0 CGADHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1)C(C)(C)O ZINC000340507195 377109515 /nfs/dbraw/zinc/10/95/15/377109515.db2.gz WLULENPDKUHDND-UAGQMJEPSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)(C)O ZINC000340507195 377109522 /nfs/dbraw/zinc/10/95/22/377109522.db2.gz WLULENPDKUHDND-UAGQMJEPSA-N 1 3 296.499 3.169 20 0 CGADHO C1=C[C@@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000559792662 377098484 /nfs/dbraw/zinc/09/84/84/377098484.db2.gz DXPYUMQOVATTKA-DLBZAZTESA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@@H]([N@@H+]2CC[C@@H](CN3CCCC3)C2)CCCCC1 ZINC000559792662 377098488 /nfs/dbraw/zinc/09/84/88/377098488.db2.gz DXPYUMQOVATTKA-DLBZAZTESA-N 1 3 262.441 3.293 20 0 CGADHO C1=C[C@@H]([N@H+]2CC[C@@H](CN3CCCC3)C2)CCCCC1 ZINC000559792662 377098492 /nfs/dbraw/zinc/09/84/92/377098492.db2.gz DXPYUMQOVATTKA-DLBZAZTESA-N 1 3 262.441 3.293 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000247288394 377190981 /nfs/dbraw/zinc/19/09/81/377190981.db2.gz GRYRPWCPJDBRMR-CABCVRRESA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000560883487 377198868 /nfs/dbraw/zinc/19/88/68/377198868.db2.gz JXLYDUQWOVPYGB-ZIAGYGMSSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1nn(C)cc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000246984939 377130877 /nfs/dbraw/zinc/13/08/77/377130877.db2.gz JXUFPWPCDYNUOD-HUUCEWRRSA-N 1 3 292.471 3.034 20 0 CGADHO Cc1nn(C)cc1[C@@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000246984939 377130884 /nfs/dbraw/zinc/13/08/84/377130884.db2.gz JXUFPWPCDYNUOD-HUUCEWRRSA-N 1 3 292.471 3.034 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000560525862 377164375 /nfs/dbraw/zinc/16/43/75/377164375.db2.gz BNHNYYZANUFLOZ-RCBQFDQVSA-N 1 3 296.817 3.442 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000560525862 377164381 /nfs/dbraw/zinc/16/43/81/377164381.db2.gz BNHNYYZANUFLOZ-RCBQFDQVSA-N 1 3 296.817 3.442 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000560525862 377164388 /nfs/dbraw/zinc/16/43/88/377164388.db2.gz BNHNYYZANUFLOZ-RCBQFDQVSA-N 1 3 296.817 3.442 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000247202490 377176074 /nfs/dbraw/zinc/17/60/74/377176074.db2.gz WLXAEYKGBRTJOA-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@H](CN1C[C@@H]2CCC[C@H]2C1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000247470211 377210015 /nfs/dbraw/zinc/21/00/15/377210015.db2.gz VEJXTSKZGCWXLA-JCECYMMASA-N 1 3 276.468 3.086 20 0 CGADHO C[C@H](CN1C[C@@H]2CCC[C@H]2C1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000247470211 377210018 /nfs/dbraw/zinc/21/00/18/377210018.db2.gz VEJXTSKZGCWXLA-JCECYMMASA-N 1 3 276.468 3.086 20 0 CGADHO C[C@@H](CN1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247470211 377210019 /nfs/dbraw/zinc/21/00/19/377210019.db2.gz VEJXTSKZGCWXLA-JCECYMMASA-N 1 3 276.468 3.086 20 0 CGADHO COc1cccc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248186815 377276646 /nfs/dbraw/zinc/27/66/46/377276646.db2.gz XNKAWFSMXIPZJR-LESCRADOSA-N 1 3 288.435 3.172 20 0 CGADHO COc1cccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248186815 377276650 /nfs/dbraw/zinc/27/66/50/377276650.db2.gz XNKAWFSMXIPZJR-LESCRADOSA-N 1 3 288.435 3.172 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@@H](C)c1ccccc1 ZINC000248612143 377364982 /nfs/dbraw/zinc/36/49/82/377364982.db2.gz XXMIPRVDUDFGRZ-HLLBOEOZSA-N 1 3 260.425 3.253 20 0 CGADHO Cc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1F ZINC000092381335 249033004 /nfs/dbraw/zinc/03/30/04/249033004.db2.gz BTUSLXRBQQNIKQ-UHFFFAOYSA-N 1 3 278.415 3.298 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(C)cc1 ZINC000349663591 284640220 /nfs/dbraw/zinc/64/02/20/284640220.db2.gz KPYWGWWRIPJXOA-INIZCTEOSA-N 1 3 278.440 3.004 20 0 CGADHO Cc1cc(Br)ccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414936919 249124237 /nfs/dbraw/zinc/12/42/37/249124237.db2.gz ZNKSCSKLDNTRIX-ZIAGYGMSSA-N 1 3 297.240 3.117 20 0 CGADHO Cc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc(C)c1OC(F)F ZINC000469865562 249161014 /nfs/dbraw/zinc/16/10/14/249161014.db2.gz VVYUSIPPZDMXNZ-TZMCWYRMSA-N 1 3 298.377 3.074 20 0 CGADHO Fc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250256175 377557366 /nfs/dbraw/zinc/55/73/66/377557366.db2.gz QIVKZTRLOJDDSY-STCOUPBVSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000250256175 377557374 /nfs/dbraw/zinc/55/73/74/377557374.db2.gz QIVKZTRLOJDDSY-STCOUPBVSA-N 1 3 288.410 3.288 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671753 377560301 /nfs/dbraw/zinc/56/03/01/377560301.db2.gz DCVYSTQFJWVYDB-UONOGXRCSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671753 377560312 /nfs/dbraw/zinc/56/03/12/377560312.db2.gz DCVYSTQFJWVYDB-UONOGXRCSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNC[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000573671753 377560323 /nfs/dbraw/zinc/56/03/23/377560323.db2.gz DCVYSTQFJWVYDB-UONOGXRCSA-N 1 3 296.405 3.388 20 0 CGADHO CC[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000470002416 249166144 /nfs/dbraw/zinc/16/61/44/249166144.db2.gz JEDSURLAQNCPKH-QTXGHNMQSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(OC2CCCC2)c1 ZINC000516450337 249234092 /nfs/dbraw/zinc/23/40/92/249234092.db2.gz CGTNMHRAMWHGJQ-KBPBESRZSA-N 1 3 276.424 3.223 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1 ZINC000517937257 249273621 /nfs/dbraw/zinc/27/36/21/249273621.db2.gz RGZNVEXLARPVRD-SFHVURJKSA-N 1 3 266.388 3.386 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000251769701 377598862 /nfs/dbraw/zinc/59/88/62/377598862.db2.gz DZOLVKUBGKPJSX-LYYZXLFJSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)c1cccc(Cl)c1 ZINC000574039755 377612024 /nfs/dbraw/zinc/61/20/24/377612024.db2.gz PWRRNRDNZKDKIJ-SRVKXCTJSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000574039755 377612029 /nfs/dbraw/zinc/61/20/29/377612029.db2.gz PWRRNRDNZKDKIJ-SRVKXCTJSA-N 1 3 254.805 3.159 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574066877 377613091 /nfs/dbraw/zinc/61/30/91/377613091.db2.gz XAEQCCXYTFCUGC-GDBMZVCRSA-N 1 3 252.446 3.086 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574066877 377613099 /nfs/dbraw/zinc/61/30/99/377613099.db2.gz XAEQCCXYTFCUGC-GDBMZVCRSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000574365808 377654903 /nfs/dbraw/zinc/65/49/03/377654903.db2.gz HZLBLPRTGWOEKP-IXDOHACOSA-N 1 3 274.452 3.499 20 0 CGADHO CCCOc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252872982 377666486 /nfs/dbraw/zinc/66/64/86/377666486.db2.gz UKHWHEZEZJEBLL-RYQLBKOJSA-N 1 3 288.435 3.035 20 0 CGADHO C[C@H](c1ccccc1Cl)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252877340 377666735 /nfs/dbraw/zinc/66/67/35/377666735.db2.gz WRDRCQHNHBDGLN-DSPQJCBJSA-N 1 3 278.827 3.460 20 0 CGADHO Cc1cccc(C)c1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000342701673 377742981 /nfs/dbraw/zinc/74/29/81/377742981.db2.gz FSKOPVVHZFCDAM-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1cccc(C)c1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000342701673 377742988 /nfs/dbraw/zinc/74/29/88/377742988.db2.gz FSKOPVVHZFCDAM-INIZCTEOSA-N 1 3 260.425 3.077 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H](C)CCc1ccccc1F ZINC000575172875 377757567 /nfs/dbraw/zinc/75/75/67/377757567.db2.gz PYFBHUICJIPKTR-AWEZNQCLSA-N 1 3 266.404 3.125 20 0 CGADHO Cc1ccc(C)c([C@@H](C)N(C)C[C@H]2CCC[NH2+]C2)c1 ZINC000261574302 377821228 /nfs/dbraw/zinc/82/12/28/377821228.db2.gz WYJQVWFXOYHXAC-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)C[C@H]2CCCNC2)c1 ZINC000261574302 377821236 /nfs/dbraw/zinc/82/12/36/377821236.db2.gz WYJQVWFXOYHXAC-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCCNC2)c1 ZINC000261574302 377821239 /nfs/dbraw/zinc/82/12/39/377821239.db2.gz WYJQVWFXOYHXAC-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@@]1(C[NH3+])CCN(CCc2ccc3ccccc3c2)C1 ZINC000261651881 377834373 /nfs/dbraw/zinc/83/43/73/377834373.db2.gz HKXKDVDLBVUWNJ-SFHVURJKSA-N 1 3 268.404 3.053 20 0 CGADHO CC1CCC(N(C[C@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262043200 377882709 /nfs/dbraw/zinc/88/27/09/377882709.db2.gz PJCJDKBHPXRKSW-HIEASXQVSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@]1(CN2CCC[C@@H](c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262134571 377888036 /nfs/dbraw/zinc/88/80/36/377888036.db2.gz YNNUPRHALFCUOM-CRAIPNDOSA-N 1 3 290.426 3.395 20 0 CGADHO CN(C)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000262379404 377895434 /nfs/dbraw/zinc/89/54/34/377895434.db2.gz YMFLOLXTOMQGTI-IPMKNSEASA-N 1 3 295.430 3.024 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCOc2cccc3ccccc32)C1 ZINC000578549707 378079977 /nfs/dbraw/zinc/07/99/77/378079977.db2.gz XCLNGINYJKRFRH-JKSUJKDBSA-N 1 3 284.403 3.078 20 0 CGADHO CO[C@H](C)[C@H](C)NCc1ccccc1C[N@H+](C)C(C)C ZINC000268834097 378126889 /nfs/dbraw/zinc/12/68/89/378126889.db2.gz RNZVNOLRTGHEQW-LSDHHAIUSA-N 1 3 278.440 3.040 20 0 CGADHO CO[C@H](C)[C@H](C)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000268834097 378126893 /nfs/dbraw/zinc/12/68/93/378126893.db2.gz RNZVNOLRTGHEQW-LSDHHAIUSA-N 1 3 278.440 3.040 20 0 CGADHO CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C[C@H]1OC ZINC000344098285 378158637 /nfs/dbraw/zinc/15/86/37/378158637.db2.gz JCLZAZZWNSLYLY-GVDBMIGSSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H](CCO)C1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCC1 ZINC000344318005 378167113 /nfs/dbraw/zinc/16/71/13/378167113.db2.gz GDRAWLPQWQRMSW-HNNXBMFYSA-N 1 3 296.499 3.028 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273748 378317791 /nfs/dbraw/zinc/31/77/91/378317791.db2.gz ZRKJZDJQZDVHIM-ZIAGYGMSSA-N 1 3 287.234 3.395 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000583273748 378317795 /nfs/dbraw/zinc/31/77/95/378317795.db2.gz ZRKJZDJQZDVHIM-ZIAGYGMSSA-N 1 3 287.234 3.395 20 0 CGADHO C[C@H](N(C)C[C@H](C[NH3+])c1ccc(F)cc1)C(C)(C)C ZINC000565827934 322092782 /nfs/dbraw/zinc/09/27/82/322092782.db2.gz GKPZJRAJKFHLAY-JSGCOSHPSA-N 1 3 266.404 3.234 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265098 378486442 /nfs/dbraw/zinc/48/64/42/378486442.db2.gz IAXYHZSPZSLXIB-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265098 378486447 /nfs/dbraw/zinc/48/64/47/378486447.db2.gz IAXYHZSPZSLXIB-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265098 378486457 /nfs/dbraw/zinc/48/64/57/378486457.db2.gz IAXYHZSPZSLXIB-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CC[C@H]21 ZINC000271265098 378486462 /nfs/dbraw/zinc/48/64/62/378486462.db2.gz IAXYHZSPZSLXIB-IEBWSBKVSA-N 1 3 295.430 3.151 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000346477708 378590217 /nfs/dbraw/zinc/59/02/17/378590217.db2.gz IQFLMCSGOHZIKQ-MRXNPFEDSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@H]([NH2+]Cc1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272241273 378592385 /nfs/dbraw/zinc/59/23/85/378592385.db2.gz WOVBHQFRFZPWBC-QFBILLFUSA-N 1 3 295.430 3.082 20 0 CGADHO C(C1CCSCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104297 378700209 /nfs/dbraw/zinc/70/02/09/378700209.db2.gz GIMWTRFJKZAOLO-MRXNPFEDSA-N 1 3 282.497 3.080 20 0 CGADHO C(C1CCSCC1)[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000638104297 378700213 /nfs/dbraw/zinc/70/02/13/378700213.db2.gz GIMWTRFJKZAOLO-MRXNPFEDSA-N 1 3 282.497 3.080 20 0 CGADHO C(C1CCSCC1)[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000638104297 378700216 /nfs/dbraw/zinc/70/02/16/378700216.db2.gz GIMWTRFJKZAOLO-MRXNPFEDSA-N 1 3 282.497 3.080 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000272802382 378706150 /nfs/dbraw/zinc/70/61/50/378706150.db2.gz BPPILFUDIBTFCP-CQSZACIVSA-N 1 3 290.476 3.191 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc4cc(F)ccc4o3)C[C@H]21 ZINC000346837518 218030844 /nfs/dbraw/zinc/03/08/44/218030844.db2.gz WEJRWLBRCKKFED-HFBAOOFYSA-N 1 3 288.366 3.131 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638566911 378837883 /nfs/dbraw/zinc/83/78/83/378837883.db2.gz RPGYABNQZBFGEE-INIZCTEOSA-N 1 3 299.462 3.388 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CC(C)C1 ZINC000467745437 284728089 /nfs/dbraw/zinc/72/80/89/284728089.db2.gz XPPYIULMKIZFLH-KNIAUWFNSA-N 1 3 252.446 3.275 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000347186296 218148987 /nfs/dbraw/zinc/14/89/87/218148987.db2.gz ZWHSVFVFJDCJSK-SOFGYWHQSA-N 1 3 288.435 3.030 20 0 CGADHO Cc1ccccc1OCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277070800 379059981 /nfs/dbraw/zinc/05/99/81/379059981.db2.gz DQZWFCNNOJXSMJ-KRWDZBQOSA-N 1 3 290.451 3.180 20 0 CGADHO Cc1ccccc1OCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277070800 379059985 /nfs/dbraw/zinc/05/99/85/379059985.db2.gz DQZWFCNNOJXSMJ-KRWDZBQOSA-N 1 3 290.451 3.180 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000277023660 379047645 /nfs/dbraw/zinc/04/76/45/379047645.db2.gz APXSIRBVHDAJLF-SFHVURJKSA-N 1 3 272.436 3.091 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000277023660 379047647 /nfs/dbraw/zinc/04/76/47/379047647.db2.gz APXSIRBVHDAJLF-SFHVURJKSA-N 1 3 272.436 3.091 20 0 CGADHO COc1ccccc1CCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277037980 379050057 /nfs/dbraw/zinc/05/00/57/379050057.db2.gz BOPOGYMNSXRDMY-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO COc1ccccc1CCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277037980 379050063 /nfs/dbraw/zinc/05/00/63/379050063.db2.gz BOPOGYMNSXRDMY-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO CC[C@H]1C[C@H](C[N@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410947 379269497 /nfs/dbraw/zinc/26/94/97/379269497.db2.gz VFWVMDIPJVLOAE-SJORKVTESA-N 1 3 284.488 3.245 20 0 CGADHO CC[C@H]1C[C@H](C[N@@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410947 379269508 /nfs/dbraw/zinc/26/95/08/379269508.db2.gz VFWVMDIPJVLOAE-SJORKVTESA-N 1 3 284.488 3.245 20 0 CGADHO CC[C@@H]1C[C@H](C[N@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410943 379270889 /nfs/dbraw/zinc/27/08/89/379270889.db2.gz VFWVMDIPJVLOAE-IAGOWNOFSA-N 1 3 284.488 3.245 20 0 CGADHO CC[C@@H]1C[C@H](C[N@@H+](CC)CCCN(CC)CC)CCO1 ZINC000349410943 379270897 /nfs/dbraw/zinc/27/08/97/379270897.db2.gz VFWVMDIPJVLOAE-IAGOWNOFSA-N 1 3 284.488 3.245 20 0 CGADHO c1ccc([C@H]2C[C@H]2N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000375226931 379487524 /nfs/dbraw/zinc/48/75/24/379487524.db2.gz SAPALMITBASSMT-RTBURBONSA-N 1 3 284.447 3.350 20 0 CGADHO C[C@@H](CC[NH2+]C1CCC2(CCCO2)CC1)N1CCCCC1 ZINC000376417406 379551797 /nfs/dbraw/zinc/55/17/97/379551797.db2.gz ZCFWJLJOAMGQIQ-AOCRQIFASA-N 1 3 294.483 3.332 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000350151830 379521394 /nfs/dbraw/zinc/52/13/94/379521394.db2.gz YLLPKVOMXQMTBB-UHFFFAOYSA-N 1 3 290.382 3.346 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000280795792 379790769 /nfs/dbraw/zinc/79/07/69/379790769.db2.gz KADSILHLKRHGRK-VGWMRTNUSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000280795792 379790775 /nfs/dbraw/zinc/79/07/75/379790775.db2.gz KADSILHLKRHGRK-VGWMRTNUSA-N 1 3 288.410 3.288 20 0 CGADHO COc1c(C)cc(CN2CCCC[C@@H]2CC[NH3+])cc1C ZINC000352534286 379846207 /nfs/dbraw/zinc/84/62/07/379846207.db2.gz FAQRGKDXYFMQDE-MRXNPFEDSA-N 1 3 276.424 3.015 20 0 CGADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282189669 379870200 /nfs/dbraw/zinc/87/02/00/379870200.db2.gz NGAGKYWTWZLNPL-MOPGFXCFSA-N 1 3 298.474 3.473 20 0 CGADHO Cc1ccnc(CN(C)CCCC[NH+]2CCCCC2)c1 ZINC000640534638 379820669 /nfs/dbraw/zinc/82/06/69/379820669.db2.gz QRPVVNFGGTYAGZ-UHFFFAOYSA-N 1 3 275.440 3.088 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000410378003 380091024 /nfs/dbraw/zinc/09/10/24/380091024.db2.gz JSFFHZUPXAQGRT-JKSUJKDBSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000410378003 380091028 /nfs/dbraw/zinc/09/10/28/380091028.db2.gz JSFFHZUPXAQGRT-JKSUJKDBSA-N 1 3 252.446 3.086 20 0 CGADHO CC1(C)CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000284595375 380141343 /nfs/dbraw/zinc/14/13/43/380141343.db2.gz ZVKZVUZRJSJAEV-INIZCTEOSA-N 1 3 273.424 3.076 20 0 CGADHO CC[NH+]1CCC(CCN[C@H](C)c2cc(C)ccn2)CC1 ZINC000286356236 380201359 /nfs/dbraw/zinc/20/13/59/380201359.db2.gz ZAPRKQQWYLJZRQ-OAHLLOKOSA-N 1 3 275.440 3.163 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H](O)C(C)C ZINC000414305278 380210823 /nfs/dbraw/zinc/21/08/23/380210823.db2.gz WYGDYBPDTHRWNP-ROUUACIJSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(C)C ZINC000414305278 380210825 /nfs/dbraw/zinc/21/08/25/380210825.db2.gz WYGDYBPDTHRWNP-ROUUACIJSA-N 1 3 296.499 3.169 20 0 CGADHO CC(C)n1nccc1CNCCCC[NH+]1CCC(C)CC1 ZINC000353927645 380238896 /nfs/dbraw/zinc/23/88/96/380238896.db2.gz AXWCXVMTIYNGSZ-UHFFFAOYSA-N 1 3 292.471 3.066 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN1)c1cc2c(s1)CCC2 ZINC000643502135 380324671 /nfs/dbraw/zinc/32/46/71/380324671.db2.gz YBFRGYXECZHFDA-AAEUAGOBSA-N 1 3 264.438 3.030 20 0 CGADHO Clc1ccccc1C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000643522028 380337579 /nfs/dbraw/zinc/33/75/79/380337579.db2.gz GPFIVTGQVOIHKN-NVXWUHKLSA-N 1 3 292.854 3.393 20 0 CGADHO COCC1(CN[C@H](C)c2ccccc2Cl)CC[NH2+]CC1 ZINC000423402860 284825432 /nfs/dbraw/zinc/82/54/32/284825432.db2.gz XEWQGCXDZVJDHA-CYBMUJFWSA-N 1 3 296.842 3.007 20 0 CGADHO COc1ccccc1C(C)(C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000643457655 380310189 /nfs/dbraw/zinc/31/01/89/380310189.db2.gz UZLUAESQMBFZOW-HOTGVXAUSA-N 1 3 290.451 3.222 20 0 CGADHO C[C@H]1C[C@H](CN(C)Cc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000414688376 380375317 /nfs/dbraw/zinc/37/53/17/380375317.db2.gz DCMDZIBNEROYIM-NWDGAFQWSA-N 1 3 284.806 3.299 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000414710666 380383607 /nfs/dbraw/zinc/38/36/07/380383607.db2.gz GYAPLSWNAMVWDW-QGZVFWFLSA-N 1 3 260.425 3.267 20 0 CGADHO CCN(Cc1cccc(C)c1C)[C@H]1CCC[NH2+]CC1 ZINC000414717570 380384989 /nfs/dbraw/zinc/38/49/89/380384989.db2.gz PVBFVSWUSXJCNX-KRWDZBQOSA-N 1 3 260.425 3.267 20 0 CGADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000643522302 380339055 /nfs/dbraw/zinc/33/90/55/380339055.db2.gz LGEDGAWDDDBVAN-TZMCWYRMSA-N 1 3 278.465 3.420 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000643524226 380341031 /nfs/dbraw/zinc/34/10/31/380341031.db2.gz WXGAUGHWXLQFDM-IGCXYCKISA-N 1 3 283.419 3.405 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000643529109 380346895 /nfs/dbraw/zinc/34/68/95/380346895.db2.gz VIFBWBINBCOMBO-CRAIPNDOSA-N 1 3 268.404 3.297 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643534082 380348622 /nfs/dbraw/zinc/34/86/22/380348622.db2.gz LGWDUVDXYJCVMN-ABAIWWIYSA-N 1 3 294.826 3.141 20 0 CGADHO COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643534085 380348687 /nfs/dbraw/zinc/34/86/87/380348687.db2.gz LGWDUVDXYJCVMN-XHDPSFHLSA-N 1 3 294.826 3.141 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000414652002 380352276 /nfs/dbraw/zinc/35/22/76/380352276.db2.gz CTAVCJKMMWMVPC-MAUKXSAKSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H]([C@H](C)N)C2)cc1 ZINC000414652002 380352287 /nfs/dbraw/zinc/35/22/87/380352287.db2.gz CTAVCJKMMWMVPC-MAUKXSAKSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]([C@H](C)N)C2)cc1 ZINC000414652002 380352294 /nfs/dbraw/zinc/35/22/94/380352294.db2.gz CTAVCJKMMWMVPC-MAUKXSAKSA-N 1 3 274.452 3.412 20 0 CGADHO Cc1nc(C(C)C)sc1[C@@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643537094 380353503 /nfs/dbraw/zinc/35/35/03/380353503.db2.gz ZEIJJRSRSYWVIR-YPMHNXCESA-N 1 3 293.480 3.368 20 0 CGADHO CC(C)[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643536906 380354081 /nfs/dbraw/zinc/35/40/81/380354081.db2.gz YPFBOBMBBHXOPG-CVEARBPZSA-N 1 3 294.389 3.394 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546038 380357339 /nfs/dbraw/zinc/35/73/39/380357339.db2.gz HGRQLPPZJSNMHQ-WMLDXEAASA-N 1 3 270.420 3.247 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCNC3(CCC3)C1)CC2 ZINC000643545742 380357591 /nfs/dbraw/zinc/35/75/91/380357591.db2.gz BLAWORYTBGCJEN-DOTOQJQBSA-N 1 3 270.420 3.247 20 0 CGADHO C[C@@H](CC1CCC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000643544806 380357785 /nfs/dbraw/zinc/35/77/85/380357785.db2.gz XBNHRZSBUCIJRN-FVWHLNICSA-N 1 3 276.468 3.308 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1C(C)(C)C1(C)C ZINC000643547358 380360743 /nfs/dbraw/zinc/36/07/43/380360743.db2.gz DIMAXMCZJKBULJ-QWHCGFSZSA-N 1 3 264.457 3.321 20 0 CGADHO FC(F)C1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000643548004 380362978 /nfs/dbraw/zinc/36/29/78/380362978.db2.gz LOTBPTXUNVLYFB-WXRRBKDZSA-N 1 3 272.383 3.075 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C/c1ccc(F)cc1F ZINC000414813332 380424663 /nfs/dbraw/zinc/42/46/63/380424663.db2.gz YDPJJUZXXLWXBQ-BRFWBLJHSA-N 1 3 280.362 3.085 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc2ccccc2c1 ZINC000414814593 380426079 /nfs/dbraw/zinc/42/60/79/380426079.db2.gz ZIZXMEVUQZMELU-MSOLQXFVSA-N 1 3 268.404 3.447 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc2ccccc2c1 ZINC000414814597 380426187 /nfs/dbraw/zinc/42/61/87/380426187.db2.gz ZIZXMEVUQZMELU-ROUUACIJSA-N 1 3 268.404 3.447 20 0 CGADHO CSc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414814616 380426738 /nfs/dbraw/zinc/42/67/38/380426738.db2.gz ZKTPRIQUXIBSDP-ZFWWWQNUSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414818173 380430119 /nfs/dbraw/zinc/43/01/19/380430119.db2.gz DBLFDOLNGBYNFE-UWVGGRQHSA-N 1 3 260.834 3.050 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccc(Cl)s1 ZINC000414818173 380430129 /nfs/dbraw/zinc/43/01/29/380430129.db2.gz DBLFDOLNGBYNFE-UWVGGRQHSA-N 1 3 260.834 3.050 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414824017 380433495 /nfs/dbraw/zinc/43/34/95/380433495.db2.gz FJLAWTNEZXQKSA-MPBYHJMHSA-N 1 3 270.420 3.195 20 0 CGADHO c1ccc(C[C@@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414825791 380436250 /nfs/dbraw/zinc/43/62/50/380436250.db2.gz HRENDSIOMQCVFB-QRXAFDDPSA-N 1 3 284.447 3.270 20 0 CGADHO CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000414828241 380437230 /nfs/dbraw/zinc/43/72/30/380437230.db2.gz LXQLOQMWIWVIIU-IVMQYODDSA-N 1 3 286.463 3.476 20 0 CGADHO CC[C@H](Cc1ccccc1)NCC1([NH3+])CCCCC1 ZINC000414835653 380443798 /nfs/dbraw/zinc/44/37/98/380443798.db2.gz DRRAOSHFJUONJO-MRXNPFEDSA-N 1 3 260.425 3.259 20 0 CGADHO C[C@H](CNCC1([NH3+])CCCCC1)c1ccc(F)cc1 ZINC000414836074 380443829 /nfs/dbraw/zinc/44/38/29/380443829.db2.gz FFKXKPFXRMWJNE-CYBMUJFWSA-N 1 3 264.388 3.180 20 0 CGADHO C[C@@H]1[C@@H](NCC2([NH3+])CCCCC2)C[C@@H]1c1ccccc1 ZINC000414836185 380444251 /nfs/dbraw/zinc/44/42/51/380444251.db2.gz FLXNQRQFNWBACF-XIRDDKMYSA-N 1 3 272.436 3.430 20 0 CGADHO Cc1cc(C)c(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000414843303 380449513 /nfs/dbraw/zinc/44/95/13/380449513.db2.gz BRGYJQCTUIHIGV-JKSUJKDBSA-N 1 3 260.425 3.090 20 0 CGADHO Clc1cccc(Cl)c1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414851609 380453676 /nfs/dbraw/zinc/45/36/76/380453676.db2.gz OKKMLLBPPLRIJV-NSHDSACASA-N 1 3 287.234 3.473 20 0 CGADHO Fc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772787 380398270 /nfs/dbraw/zinc/39/82/70/380398270.db2.gz CLCUYRAIVLYIOK-UONOGXRCSA-N 1 3 296.817 3.301 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)CC(C)(C)c1ccccc1 ZINC000414787800 380404324 /nfs/dbraw/zinc/40/43/24/380404324.db2.gz CRDDBCGTPOGFFG-HOCLYGCPSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CCNCC2)C1 ZINC000414788929 380404340 /nfs/dbraw/zinc/40/43/40/380404340.db2.gz NEPNUGLJRGDYGL-LESCRADOSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)(C)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000414794499 380409008 /nfs/dbraw/zinc/40/90/08/380409008.db2.gz FVHWOVAXWJTTFX-WCQYABFASA-N 1 3 266.454 3.263 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000414800044 380413019 /nfs/dbraw/zinc/41/30/19/380413019.db2.gz KNEMEKRXYBXXPY-JKSUJKDBSA-N 1 3 278.465 3.027 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C(F)(F)F)s1 ZINC000414806425 380418065 /nfs/dbraw/zinc/41/80/65/380418065.db2.gz QGOXRKFZOLFHRL-KOLCDFICSA-N 1 3 292.370 3.374 20 0 CGADHO CC(C)(N)C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414806827 380420609 /nfs/dbraw/zinc/42/06/09/380420609.db2.gz QLKYUAQQFIIEMO-UHFFFAOYSA-N 1 3 278.396 3.381 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000414918614 380489528 /nfs/dbraw/zinc/48/95/28/380489528.db2.gz SLGWTXCRXGDYBO-ARFHVFGLSA-N 1 3 252.446 3.323 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000414927789 380491983 /nfs/dbraw/zinc/49/19/83/380491983.db2.gz POQVNHPWEVLKKL-ZJPYXAASSA-N 1 3 272.436 3.257 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414941252 380497229 /nfs/dbraw/zinc/49/72/29/380497229.db2.gz LHGDPQDGHVLLCU-JQHSSLGASA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H](CCCC(F)(F)F)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414939718 380498219 /nfs/dbraw/zinc/49/82/19/380498219.db2.gz ZXPOVLFCTKJRSL-NWDGAFQWSA-N 1 3 280.378 3.475 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414941225 380498693 /nfs/dbraw/zinc/49/86/93/380498693.db2.gz LCDQIEZSWQAJDA-NQBHXWOUSA-N 1 3 286.872 3.310 20 0 CGADHO CCCCCOc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414941793 380500872 /nfs/dbraw/zinc/50/08/72/380500872.db2.gz LZDOYIKFRACTNW-UHFFFAOYSA-N 1 3 290.451 3.487 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@@H]1CCCNC1 ZINC000415081353 380507248 /nfs/dbraw/zinc/50/72/48/380507248.db2.gz KJONVXXUZJXOOM-BARDWOONSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(-c2cccc(F)c2)s1 ZINC000414880928 380472074 /nfs/dbraw/zinc/47/20/74/380472074.db2.gz RKILFJHZTDDELC-LLVKDONJSA-N 1 3 278.396 3.239 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](C)CN ZINC000414880952 380472195 /nfs/dbraw/zinc/47/21/95/380472195.db2.gz RLNKSYMWOLWUKY-GXFFZTMASA-N 1 3 289.250 3.499 20 0 CGADHO C[C@@H](CN)C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000414881662 380472483 /nfs/dbraw/zinc/47/24/83/380472483.db2.gz SLUNECBNCDOLHR-INIZCTEOSA-N 1 3 282.431 3.025 20 0 CGADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NCCCC(C)C)cc1 ZINC000414878251 380472854 /nfs/dbraw/zinc/47/28/54/380472854.db2.gz GWNYVHNHAHUCIH-MSOLQXFVSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@H](CC[NH3+])NCc1ccc(-c2ccccc2F)s1 ZINC000414883744 380474076 /nfs/dbraw/zinc/47/40/76/380474076.db2.gz NKKKVTASMAGIMB-LLVKDONJSA-N 1 3 278.396 3.381 20 0 CGADHO C[C@H](CCN)[NH2+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000414890985 380476334 /nfs/dbraw/zinc/47/63/34/380476334.db2.gz HTZUNCRUUZCJPI-QGZVFWFLSA-N 1 3 296.458 3.415 20 0 CGADHO N[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000414898404 380480193 /nfs/dbraw/zinc/48/01/93/380480193.db2.gz SZHVEDODUHLKSH-OAHLLOKOSA-N 1 3 290.407 3.381 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000358310792 381303079 /nfs/dbraw/zinc/30/30/79/381303079.db2.gz WZKNDLHBVMMBNV-JOCBIADPSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCO1 ZINC000358310792 381303085 /nfs/dbraw/zinc/30/30/85/381303085.db2.gz WZKNDLHBVMMBNV-JOCBIADPSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@H]1CN(c2cc[nH+]cc2C)CCN1Cc1ccccc1 ZINC000359584225 381354601 /nfs/dbraw/zinc/35/46/01/381354601.db2.gz RDTGOVXBDCEADT-SFHVURJKSA-N 1 3 295.430 3.491 20 0 CGADHO FC(F)(F)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211880579 542284327 /nfs/dbraw/zinc/28/43/27/542284327.db2.gz WFGNFZRWOVTWHW-UHFFFAOYSA-N 1 3 298.352 3.107 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)C(F)(F)F ZINC000359969078 381393604 /nfs/dbraw/zinc/39/36/04/381393604.db2.gz FQVHENRVMZMJNE-JTQLQIEISA-N 1 3 266.351 3.037 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2cccc(OC)c2)C1 ZINC000360242567 381494619 /nfs/dbraw/zinc/49/46/19/381494619.db2.gz PIWOBGAXGYRJTD-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2cccc(OC)c2)C1 ZINC000360242567 381494626 /nfs/dbraw/zinc/49/46/26/381494626.db2.gz PIWOBGAXGYRJTD-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC)c2cccc(OC)c2)C1 ZINC000360242567 381494632 /nfs/dbraw/zinc/49/46/32/381494632.db2.gz PIWOBGAXGYRJTD-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1cc(C[NH2+][C@H]2CCNCC2(C)C)cc2cccnc12 ZINC000334844870 207177073 /nfs/dbraw/zinc/17/70/73/207177073.db2.gz VTJNVPAIAMUXQY-INIZCTEOSA-N 1 3 283.419 3.021 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981344 381642050 /nfs/dbraw/zinc/64/20/50/381642050.db2.gz KCLRYCUCXAOTAJ-RYQLBKOJSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981344 381642057 /nfs/dbraw/zinc/64/20/57/381642057.db2.gz KCLRYCUCXAOTAJ-RYQLBKOJSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981344 381642061 /nfs/dbraw/zinc/64/20/61/381642061.db2.gz KCLRYCUCXAOTAJ-RYQLBKOJSA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@@H]1CN(Cc2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000251854486 542348686 /nfs/dbraw/zinc/34/86/86/542348686.db2.gz SDGLHKBUJIHJHU-NVXWUHKLSA-N 1 3 260.425 3.369 20 0 CGADHO C[C@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335412721 208399425 /nfs/dbraw/zinc/39/94/25/208399425.db2.gz ADJKKPZNMVPFHW-BBRMVZONSA-N 1 3 250.430 3.172 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743214 220291062 /nfs/dbraw/zinc/29/10/62/220291062.db2.gz BOGOFHHWTYOZHZ-RHSMWYFYSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)C[C@H]1C ZINC000353743214 220291066 /nfs/dbraw/zinc/29/10/66/220291066.db2.gz BOGOFHHWTYOZHZ-RHSMWYFYSA-N 1 3 285.435 3.473 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279031 533112464 /nfs/dbraw/zinc/11/24/64/533112464.db2.gz QVTZTFUQWKMPLM-PXAZEXFGSA-N 1 3 284.403 3.236 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cc(Cl)cc3cccnc32)C1 ZINC000334845154 542462057 /nfs/dbraw/zinc/46/20/57/542462057.db2.gz IAUJLHPFYCNSEA-HUUCEWRRSA-N 1 3 289.810 3.248 20 0 CGADHO COc1ccc2cc([C@@H](C)NC[C@@H](C)C[NH3+])ccc2c1 ZINC000423295569 533335797 /nfs/dbraw/zinc/33/57/97/533335797.db2.gz FFWUNMIJEBZULW-QWHCGFSZSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@@H](NCC(C)(C)[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423287921 533352501 /nfs/dbraw/zinc/35/25/01/533352501.db2.gz PIPMXFZKDYCPET-KXUCPTDWSA-N 1 3 272.845 3.220 20 0 CGADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423321466 533355625 /nfs/dbraw/zinc/35/56/25/533355625.db2.gz GEEYMRVEPIDVGT-LLVKDONJSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000423491242 533389548 /nfs/dbraw/zinc/38/95/48/533389548.db2.gz YUDIYMNXNANZPA-OLZOCXBDSA-N 1 3 250.361 3.009 20 0 CGADHO COc1ccc(C)cc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414186893 533415187 /nfs/dbraw/zinc/41/51/87/533415187.db2.gz PPOGFZQBFCDFDV-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO COc1ccc(C)cc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414186893 533415193 /nfs/dbraw/zinc/41/51/93/533415193.db2.gz PPOGFZQBFCDFDV-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1C(C)(C)C ZINC000423322708 533431675 /nfs/dbraw/zinc/43/16/75/533431675.db2.gz OGWNFLFTMBZOPW-WBMJQRKESA-N 1 3 260.425 3.372 20 0 CGADHO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423438722 533479517 /nfs/dbraw/zinc/47/95/17/533479517.db2.gz RTDYZAVURYUAPF-CTNYNGJSSA-N 1 3 297.446 3.032 20 0 CGADHO C[C@@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408120 533537621 /nfs/dbraw/zinc/53/76/21/533537621.db2.gz WZVYSNROMJMLQY-COCCGSRQSA-N 1 3 268.404 3.474 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@]2(C)CCCOC2)CC1 ZINC000357873976 533606351 /nfs/dbraw/zinc/60/63/51/533606351.db2.gz RYCMNZKFYKUZNT-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@]2(C)CCCOC2)CC1 ZINC000357873976 533606356 /nfs/dbraw/zinc/60/63/56/533606356.db2.gz RYCMNZKFYKUZNT-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000156291085 533658869 /nfs/dbraw/zinc/65/88/69/533658869.db2.gz PWWKXQLCRGWCFG-OAUYIBNBSA-N 1 3 276.399 3.349 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000156291085 533658877 /nfs/dbraw/zinc/65/88/77/533658877.db2.gz PWWKXQLCRGWCFG-OAUYIBNBSA-N 1 3 276.399 3.349 20 0 CGADHO C[C@H](N[C@@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]1 ZINC000400428035 542622433 /nfs/dbraw/zinc/62/24/33/542622433.db2.gz ZDSDXPSUBWOMBA-RRFJBIMHSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CCCN1 ZINC000400428035 542622436 /nfs/dbraw/zinc/62/24/36/542622436.db2.gz ZDSDXPSUBWOMBA-RRFJBIMHSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1cc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000037649078 391982192 /nfs/dbraw/zinc/98/21/92/391982192.db2.gz PABFNJJTWTUKEK-JSGCOSHPSA-N 1 3 278.465 3.500 20 0 CGADHO Cc1cc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)s1 ZINC000037649078 391982194 /nfs/dbraw/zinc/98/21/94/391982194.db2.gz PABFNJJTWTUKEK-JSGCOSHPSA-N 1 3 278.465 3.500 20 0 CGADHO Cc1cc(C[NH2+]CC(C)(C)CN(C)C)c(C)s1 ZINC000049684848 392056596 /nfs/dbraw/zinc/05/65/96/392056596.db2.gz FUXFDANDPALSKS-UHFFFAOYSA-N 1 3 254.443 3.042 20 0 CGADHO CCCCOc1ccccc1CN1CCC(C[NH2+]C)CC1 ZINC000066152267 392151968 /nfs/dbraw/zinc/15/19/68/392151968.db2.gz CCSSZKBWZVCWCS-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO C[NH2+]C[C@H]1CCN([C@H](C)c2ccc3ccccc3c2)C1 ZINC000071141863 392188287 /nfs/dbraw/zinc/18/82/87/392188287.db2.gz XVUOFGYVOGGMPW-HUUCEWRRSA-N 1 3 268.404 3.442 20 0 CGADHO CC(C)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821152 392232479 /nfs/dbraw/zinc/23/24/79/392232479.db2.gz NYPAIDJEGGLPKO-UHFFFAOYSA-N 1 3 275.440 3.276 20 0 CGADHO CC(C)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821152 392232481 /nfs/dbraw/zinc/23/24/81/392232481.db2.gz NYPAIDJEGGLPKO-UHFFFAOYSA-N 1 3 275.440 3.276 20 0 CGADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000282131010 392282681 /nfs/dbraw/zinc/28/26/81/392282681.db2.gz KDJVJMMWKSJVHI-QRQLOZEOSA-N 1 3 299.462 3.466 20 0 CGADHO CC1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000432836438 542653752 /nfs/dbraw/zinc/65/37/52/542653752.db2.gz UWQKEVVHCANVEK-OAHLLOKOSA-N 1 3 250.430 3.127 20 0 CGADHO c1ccc([C@H]2CC[C@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC000436282379 285493192 /nfs/dbraw/zinc/49/31/92/285493192.db2.gz SJVQSEFQFDWTSZ-ROUUACIJSA-N 1 3 272.436 3.398 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712281 392452429 /nfs/dbraw/zinc/45/24/29/392452429.db2.gz GGLIUTLUCSLARH-KMFMINBZSA-N 1 3 276.424 3.219 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OC)cc1 ZINC000129712281 392452437 /nfs/dbraw/zinc/45/24/37/392452437.db2.gz GGLIUTLUCSLARH-KMFMINBZSA-N 1 3 276.424 3.219 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000367999232 392485123 /nfs/dbraw/zinc/48/51/23/392485123.db2.gz UAXLLOQIXLHCER-YHUYYLMFSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2c1 ZINC000302702469 392619238 /nfs/dbraw/zinc/61/92/38/392619238.db2.gz BMQRXFXAWLQHGG-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000302702469 392619242 /nfs/dbraw/zinc/61/92/42/392619242.db2.gz BMQRXFXAWLQHGG-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccncc1 ZINC000647283527 392635768 /nfs/dbraw/zinc/63/57/68/392635768.db2.gz CWVZUQLBUNSADD-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC(C)C)c2ccncc2)C1 ZINC000647284569 392637451 /nfs/dbraw/zinc/63/74/51/392637451.db2.gz WIYSPEMVNRDQCE-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(CC(C)(C)c2ccccc2)C1 ZINC000647496571 392740876 /nfs/dbraw/zinc/74/08/76/392740876.db2.gz YZYYTCZRDSXNCX-CABCVRRESA-N 1 3 260.425 3.023 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496571 392740878 /nfs/dbraw/zinc/74/08/78/392740878.db2.gz YZYYTCZRDSXNCX-CABCVRRESA-N 1 3 260.425 3.023 20 0 CGADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647496571 392740879 /nfs/dbraw/zinc/74/08/79/392740879.db2.gz YZYYTCZRDSXNCX-CABCVRRESA-N 1 3 260.425 3.023 20 0 CGADHO Fc1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542835 392759610 /nfs/dbraw/zinc/75/96/10/392759610.db2.gz COKGDFHPNRDVOW-HZPDHXFCSA-N 1 3 276.399 3.037 20 0 CGADHO Cc1cccc(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000181118498 392720054 /nfs/dbraw/zinc/72/00/54/392720054.db2.gz MEQOYQICOLSGHB-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000181118498 392720058 /nfs/dbraw/zinc/72/00/58/392720058.db2.gz MEQOYQICOLSGHB-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1cccc(CCC[N@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000181118498 392720068 /nfs/dbraw/zinc/72/00/68/392720068.db2.gz MEQOYQICOLSGHB-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO CCN(CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779421 392792328 /nfs/dbraw/zinc/79/23/28/392792328.db2.gz WQGKOJWUXWAGPR-HOCLYGCPSA-N 1 3 280.481 3.485 20 0 CGADHO CCN(CC[C@@H]1CCC[N@H+]1C)[C@@H](C)Cc1ccsc1 ZINC000187779421 392792333 /nfs/dbraw/zinc/79/23/33/392792333.db2.gz WQGKOJWUXWAGPR-HOCLYGCPSA-N 1 3 280.481 3.485 20 0 CGADHO Cc1ccc([C@H]2CCCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647884938 392827441 /nfs/dbraw/zinc/82/74/41/392827441.db2.gz OFPZVMJLNUQYRI-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000337998524 392895420 /nfs/dbraw/zinc/89/54/20/392895420.db2.gz NVAPBMKLCFLBLG-JONQDZQNSA-N 1 3 268.420 3.121 20 0 CGADHO CCN(CC1(C[N@H+](CC)C2CC2)CCC1)C1CC1 ZINC000647958771 392846196 /nfs/dbraw/zinc/84/61/96/392846196.db2.gz ARXNZTYRRNKVTH-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO CCN(CC1(C[N@@H+](CC)C2CC2)CCC1)C1CC1 ZINC000647958771 392846199 /nfs/dbraw/zinc/84/61/99/392846199.db2.gz ARXNZTYRRNKVTH-UHFFFAOYSA-N 1 3 250.430 3.125 20 0 CGADHO Cc1ccc(C)c([C@H]2CCCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647989160 392858320 /nfs/dbraw/zinc/85/83/20/392858320.db2.gz RMZDPJIGRZSCLU-DOTOQJQBSA-N 1 3 258.409 3.050 20 0 CGADHO FC(F)O[C@@H]1CCCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000337389506 392882254 /nfs/dbraw/zinc/88/22/54/392882254.db2.gz GVEICRPMAOUIHH-ZIAGYGMSSA-N 1 3 290.398 3.002 20 0 CGADHO C[NH+](C)CCCCNCc1cc(Cl)sc1Cl ZINC000390150058 392926603 /nfs/dbraw/zinc/92/66/03/392926603.db2.gz IYNNYSIYPXISOE-UHFFFAOYSA-N 1 3 281.252 3.486 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514094422 542733769 /nfs/dbraw/zinc/73/37/69/542733769.db2.gz NCBZFHAOTOIRPA-ZIAGYGMSSA-N 1 3 252.446 3.320 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCCC[NH+]1CCCC1)CCC2 ZINC000339068147 392945962 /nfs/dbraw/zinc/94/59/62/392945962.db2.gz OTYWRKJWFKCULC-SFHVURJKSA-N 1 3 272.436 3.448 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)CCC2 ZINC000339068147 392945966 /nfs/dbraw/zinc/94/59/66/392945966.db2.gz OTYWRKJWFKCULC-SFHVURJKSA-N 1 3 272.436 3.448 20 0 CGADHO CC(C)C[C@@H](C[NH+]1CCC(N)CC1)c1ccccc1 ZINC000339415822 392956275 /nfs/dbraw/zinc/95/62/75/392956275.db2.gz VKKUYEQMHRKMOS-INIZCTEOSA-N 1 3 260.425 3.239 20 0 CGADHO Cc1cccc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000211328538 392984860 /nfs/dbraw/zinc/98/48/60/392984860.db2.gz AGENEPLIHKMYHH-UHFFFAOYSA-N 1 3 280.415 3.273 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648433225 393013666 /nfs/dbraw/zinc/01/36/66/393013666.db2.gz MTLRCDFJRMJAMJ-APWZRJJASA-N 1 3 286.463 3.256 20 0 CGADHO Cc1ccc(-c2nc(CN[C@@H](C)CCCC[NH3+])co2)cc1 ZINC000415007667 393091498 /nfs/dbraw/zinc/09/14/98/393091498.db2.gz BPRBIMAVRWIAPB-AWEZNQCLSA-N 1 3 287.407 3.257 20 0 CGADHO C[C@H](CCC[NH3+])NCc1cccc(Cl)c1Cl ZINC000415027055 393103151 /nfs/dbraw/zinc/10/31/51/393103151.db2.gz VUMXMOWMEABLDR-SECBINFHSA-N 1 3 261.196 3.210 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3ccccc3)n2)C1 ZINC000415031481 393105317 /nfs/dbraw/zinc/10/53/17/393105317.db2.gz GWATZLGHUZZDLB-GXTWGEPZSA-N 1 3 287.432 3.027 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414654691 393050391 /nfs/dbraw/zinc/05/03/91/393050391.db2.gz CJYCYZHDCMPBLY-LMSBXDPUSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414654691 393050396 /nfs/dbraw/zinc/05/03/96/393050396.db2.gz CJYCYZHDCMPBLY-LMSBXDPUSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC000414951013 393060422 /nfs/dbraw/zinc/06/04/22/393060422.db2.gz PKPBDSCXXKHSND-SIXLDLHFSA-N 1 3 258.409 3.053 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCNC[C@H]1C ZINC000414955197 393063227 /nfs/dbraw/zinc/06/32/27/393063227.db2.gz LUTBTZIQMYFCNS-IUODEOHRSA-N 1 3 266.816 3.044 20 0 CGADHO COc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000415048097 393112340 /nfs/dbraw/zinc/11/23/40/393112340.db2.gz FOOKPAIGLJQEQR-SFHVURJKSA-N 1 3 284.403 3.265 20 0 CGADHO C[C@H](NC[C@H]1CC[NH2+][C@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000415080460 393133351 /nfs/dbraw/zinc/13/33/51/393133351.db2.gz LPXSBHCIDFZHBJ-AGIUHOORSA-N 1 3 295.496 3.479 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415123223 393151069 /nfs/dbraw/zinc/15/10/69/393151069.db2.gz JFZITDIORJSUBL-KGLIPLIRSA-N 1 3 286.419 3.412 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415132419 393155075 /nfs/dbraw/zinc/15/50/75/393155075.db2.gz UEJUXZDLZGIBBZ-INMHGKMJSA-N 1 3 260.425 3.097 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000415132419 393155083 /nfs/dbraw/zinc/15/50/83/393155083.db2.gz UEJUXZDLZGIBBZ-INMHGKMJSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)CN(C)C ZINC000425916672 393445270 /nfs/dbraw/zinc/44/52/70/393445270.db2.gz FZCRBAVEZKPQCI-WMLDXEAASA-N 1 3 280.431 3.180 20 0 CGADHO C[C@H](N)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000420307112 393458192 /nfs/dbraw/zinc/45/81/92/393458192.db2.gz RBPSSPQQZQVYCE-QMMMGPOBSA-N 1 3 261.196 3.165 20 0 CGADHO C[C@H](c1nc2ccccc2s1)N(C)CC[C@@H]1CC[NH2+]C1 ZINC000420314703 393461927 /nfs/dbraw/zinc/46/19/27/393461927.db2.gz ZJGCHGDARAYPPB-OLZOCXBDSA-N 1 3 289.448 3.289 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323638 393466047 /nfs/dbraw/zinc/46/60/47/393466047.db2.gz GMYGBVUKTGUSQY-MCIONIFRSA-N 1 3 294.389 3.347 20 0 CGADHO COC1(C[C@@H](C)NCCC[NH+](C(C)C)C(C)C)CCC1 ZINC000429528413 393475444 /nfs/dbraw/zinc/47/54/44/393475444.db2.gz PCOMUCZNHUJCJY-MRXNPFEDSA-N 1 3 284.488 3.433 20 0 CGADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)c(Cl)c1 ZINC000420371189 393476800 /nfs/dbraw/zinc/47/68/00/393476800.db2.gz ZWQLBBFGOXXLEL-LBPRGKRZSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000420365781 393476917 /nfs/dbraw/zinc/47/69/17/393476917.db2.gz LPFSHMXFIFEVCZ-SUNKGSAMSA-N 1 3 268.351 3.100 20 0 CGADHO c1ccc([C@H]2C[C@H]2CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000475573162 393408857 /nfs/dbraw/zinc/40/88/57/393408857.db2.gz RTISWESDEPOVNL-MKCYZYCBSA-N 1 3 284.447 3.397 20 0 CGADHO Clc1ccc([C@H](NC[C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000420404554 393484410 /nfs/dbraw/zinc/48/44/10/393484410.db2.gz MDKMZWHASVPVNO-BLLLJJGKSA-N 1 3 278.827 3.380 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420415785 393486248 /nfs/dbraw/zinc/48/62/48/393486248.db2.gz VHADVCANKOCFJH-JSGCOSHPSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+]CCCN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420415785 393486256 /nfs/dbraw/zinc/48/62/56/393486256.db2.gz VHADVCANKOCFJH-JSGCOSHPSA-N 1 3 286.341 3.280 20 0 CGADHO C[C@@H]1C[C@@H]1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000488408819 393501695 /nfs/dbraw/zinc/50/16/95/393501695.db2.gz IDHNZSKGETWSCG-UKRRQHHQSA-N 1 3 278.465 3.206 20 0 CGADHO C[C@H]1C[C@@H]1C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000488408817 393502362 /nfs/dbraw/zinc/50/23/62/393502362.db2.gz IDHNZSKGETWSCG-DZGCQCFKSA-N 1 3 278.465 3.206 20 0 CGADHO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)CCN1CCCCCC1 ZINC000488548323 393536978 /nfs/dbraw/zinc/53/69/78/393536978.db2.gz UGUYBTVHVPMQCZ-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccc(SCCN2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000430552823 393574786 /nfs/dbraw/zinc/57/47/86/393574786.db2.gz BUUUHIYTDBQACH-HOTGVXAUSA-N 1 3 292.492 3.455 20 0 CGADHO C[C@H](NCc1ccccc1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000666774165 542814544 /nfs/dbraw/zinc/81/45/44/542814544.db2.gz JDFDTLDHKDXPAF-ZFWWWQNUSA-N 1 3 258.409 3.042 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000430707470 393589162 /nfs/dbraw/zinc/58/91/62/393589162.db2.gz GONVLDYIIRGNBS-IMJJTQAJSA-N 1 3 250.430 3.053 20 0 CGADHO CN(CCSCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000430745657 393591547 /nfs/dbraw/zinc/59/15/47/393591547.db2.gz YSVHIDJYROJUKL-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO CN(CCSCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000430745657 393591551 /nfs/dbraw/zinc/59/15/51/393591551.db2.gz YSVHIDJYROJUKL-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccc(Cl)cc2)CC1 ZINC000422699387 393640844 /nfs/dbraw/zinc/64/08/44/393640844.db2.gz DFNPGSXBMIBHGK-VXGBXAGGSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422699387 393640848 /nfs/dbraw/zinc/64/08/48/393640848.db2.gz DFNPGSXBMIBHGK-VXGBXAGGSA-N 1 3 266.816 3.087 20 0 CGADHO CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1ccc(Cl)cc1 ZINC000422785249 393642305 /nfs/dbraw/zinc/64/23/05/393642305.db2.gz NCDMZZOFNRFJKD-BZUAXINKSA-N 1 3 296.842 3.277 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422816893 393643528 /nfs/dbraw/zinc/64/35/28/393643528.db2.gz GKMNTNACUXXWGK-BARDWOONSA-N 1 3 270.486 3.158 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000422844892 393644200 /nfs/dbraw/zinc/64/42/00/393644200.db2.gz NBDPHUDHEJYGSZ-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)[C@@H]1C[C@@H](CN[C@@H]2CCC[C@@H]2[NH3+])c2ccccc21 ZINC000423085814 393650220 /nfs/dbraw/zinc/65/02/20/393650220.db2.gz LJJVRSNECPBDFV-XDKFSHSGSA-N 1 3 272.436 3.383 20 0 CGADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](N)C1CC1)CCS2 ZINC000423313356 393661106 /nfs/dbraw/zinc/66/11/06/393661106.db2.gz FOYIUTCFMRAKNM-GJZGRUSLSA-N 1 3 276.449 3.167 20 0 CGADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](N)C1CC1)CCS2 ZINC000423313355 393661443 /nfs/dbraw/zinc/66/14/43/393661443.db2.gz FOYIUTCFMRAKNM-CABCVRRESA-N 1 3 276.449 3.167 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000423529571 393672441 /nfs/dbraw/zinc/67/24/41/393672441.db2.gz OPYHEGLOTLWSEE-AAEUAGOBSA-N 1 3 252.427 3.225 20 0 CGADHO CC(CN1CC[C@H](C2CC2)C1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491232908 393674303 /nfs/dbraw/zinc/67/43/03/393674303.db2.gz UTVIFXVFDAIYFI-ROUUACIJSA-N 1 3 276.468 3.086 20 0 CGADHO CC(CN1CC[C@H](C2CC2)C1)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000491232908 393674306 /nfs/dbraw/zinc/67/43/06/393674306.db2.gz UTVIFXVFDAIYFI-ROUUACIJSA-N 1 3 276.468 3.086 20 0 CGADHO CC[NH+]1CCC(N(C)CCSC2CCCCC2)CC1 ZINC000500142366 393819056 /nfs/dbraw/zinc/81/90/56/393819056.db2.gz WKWPMQKSOLCWFZ-UHFFFAOYSA-N 1 3 284.513 3.468 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000502697694 393883206 /nfs/dbraw/zinc/88/32/06/393883206.db2.gz PYLPCOBOEZEQSB-FUHWJXTLSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H](CC1CCCC1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995298 542832676 /nfs/dbraw/zinc/83/26/76/542832676.db2.gz JUTOIBCLXZRXFK-ZFWWWQNUSA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CCC([NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666995250 542832741 /nfs/dbraw/zinc/83/27/41/542832741.db2.gz HTSQDEXSOXCRII-AWEZNQCLSA-N 1 3 250.430 3.220 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666996933 542833302 /nfs/dbraw/zinc/83/33/02/542833302.db2.gz NBDAMKYQLDKYCU-GJZGRUSLSA-N 1 3 264.457 3.467 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995526 542833542 /nfs/dbraw/zinc/83/35/42/542833542.db2.gz QFLQEINDUWKHJE-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1ccncc1 ZINC000453105515 394172318 /nfs/dbraw/zinc/17/23/18/394172318.db2.gz HSOGTMIIZJNKRS-DOTOQJQBSA-N 1 3 275.440 3.243 20 0 CGADHO CCc1ccc([C@@H](C)NCCCC[N@H+](C)C2CC2)o1 ZINC000453416352 394240250 /nfs/dbraw/zinc/24/02/50/394240250.db2.gz XIFROECGRQNKNZ-CYBMUJFWSA-N 1 3 264.413 3.367 20 0 CGADHO CCc1ccc([C@@H](C)NCCCC[N@@H+](C)C2CC2)o1 ZINC000453416352 394240254 /nfs/dbraw/zinc/24/02/54/394240254.db2.gz XIFROECGRQNKNZ-CYBMUJFWSA-N 1 3 264.413 3.367 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc(OCCN(C)C)c1)C(C)(C)C ZINC000670266713 543148767 /nfs/dbraw/zinc/14/87/67/543148767.db2.gz UTAGITBAUUOITB-HNNXBMFYSA-N 1 3 292.467 3.399 20 0 CGADHO C[C@H](C[NH2+]Cc1ccccc1OCCN(C)C)C(C)(C)C ZINC000670267282 543149041 /nfs/dbraw/zinc/14/90/41/543149041.db2.gz ZHNQPHOFQIAGGF-OAHLLOKOSA-N 1 3 292.467 3.399 20 0 CGADHO CN(CC[C@H]1CCC[N@@H+]1C)C(C)(C)c1ccccc1 ZINC000671246815 543164997 /nfs/dbraw/zinc/16/49/97/543164997.db2.gz OMMJMVVFXFVWLO-MRXNPFEDSA-N 1 3 260.425 3.338 20 0 CGADHO CN(CC[C@H]1CCC[N@H+]1C)C(C)(C)c1ccccc1 ZINC000671246815 543164998 /nfs/dbraw/zinc/16/49/98/543164998.db2.gz OMMJMVVFXFVWLO-MRXNPFEDSA-N 1 3 260.425 3.338 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000062077693 397638125 /nfs/dbraw/zinc/63/81/25/397638125.db2.gz XCYLZJGHXAADPO-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H](CC1CCOCC1)C[N@H+](CCCN)CC1CCCC1 ZINC000352541358 397685311 /nfs/dbraw/zinc/68/53/11/397685311.db2.gz WZSHFCQALRVMML-INIZCTEOSA-N 1 3 296.499 3.280 20 0 CGADHO C[C@@H](CC1CCOCC1)C[N@@H+](CCCN)CC1CCCC1 ZINC000352541358 397685312 /nfs/dbraw/zinc/68/53/12/397685312.db2.gz WZSHFCQALRVMML-INIZCTEOSA-N 1 3 296.499 3.280 20 0 CGADHO Cc1cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc2cccnc12 ZINC000650711117 397898767 /nfs/dbraw/zinc/89/87/67/397898767.db2.gz JFIOAQBRTHPYIJ-KBXCAEBGSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CCN)cc2cccnc12 ZINC000650711117 397898769 /nfs/dbraw/zinc/89/87/69/397898769.db2.gz JFIOAQBRTHPYIJ-KBXCAEBGSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCN)cc2cccnc12 ZINC000650711117 397898771 /nfs/dbraw/zinc/89/87/71/397898771.db2.gz JFIOAQBRTHPYIJ-KBXCAEBGSA-N 1 3 297.446 3.493 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cccc(OC(C)C)c1 ZINC000650719641 397902072 /nfs/dbraw/zinc/90/20/72/397902072.db2.gz XEYPRNCYNAVBSX-UHFFFAOYSA-N 1 3 298.430 3.483 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CCCc2sccc2C1 ZINC000675495643 543344177 /nfs/dbraw/zinc/34/41/77/543344177.db2.gz HWUZLTUGIHPHGK-HNNXBMFYSA-N 1 3 278.465 3.371 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CCCc2sccc2C1 ZINC000675495643 543344181 /nfs/dbraw/zinc/34/41/81/543344181.db2.gz HWUZLTUGIHPHGK-HNNXBMFYSA-N 1 3 278.465 3.371 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237958 543440864 /nfs/dbraw/zinc/44/08/64/543440864.db2.gz RYIRXXFVSYPSMZ-WKZQYRDASA-N 1 3 288.479 3.275 20 0 CGADHO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271130 543507137 /nfs/dbraw/zinc/50/71/37/543507137.db2.gz OREGHIHWWPMZKS-WBVHZDCISA-N 1 3 290.451 3.247 20 0 CGADHO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678271130 543507139 /nfs/dbraw/zinc/50/71/39/543507139.db2.gz OREGHIHWWPMZKS-WBVHZDCISA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCCC1 ZINC000678766977 543553801 /nfs/dbraw/zinc/55/38/01/543553801.db2.gz SITDMCMGJFBRMS-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H]1CCc2ccccc2[C@H]1NCCC[NH+]1CCCC1 ZINC000678766977 543553804 /nfs/dbraw/zinc/55/38/04/543553804.db2.gz SITDMCMGJFBRMS-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCN1CCCC1 ZINC000678766975 543554251 /nfs/dbraw/zinc/55/42/51/543554251.db2.gz SITDMCMGJFBRMS-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@H]1NCCC[NH+]1CCCC1 ZINC000678766975 543554253 /nfs/dbraw/zinc/55/42/53/543554253.db2.gz SITDMCMGJFBRMS-QAPCUYQASA-N 1 3 272.436 3.386 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)s1 ZINC000346827154 292267146 /nfs/dbraw/zinc/26/71/46/292267146.db2.gz FXNJHBPEKBZKAD-ZIAGYGMSSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)s1 ZINC000346827154 292267149 /nfs/dbraw/zinc/26/71/49/292267149.db2.gz FXNJHBPEKBZKAD-ZIAGYGMSSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)s1 ZINC000346827154 292267151 /nfs/dbraw/zinc/26/71/51/292267151.db2.gz FXNJHBPEKBZKAD-ZIAGYGMSSA-N 1 3 264.438 3.193 20 0 CGADHO COc1ccc([C@@H]([NH2+]C[C@H](C)CN(C)C)C(C)C)cc1 ZINC000425946223 286359488 /nfs/dbraw/zinc/35/94/88/286359488.db2.gz OAHMKNPBDATMQM-YOEHRIQHSA-N 1 3 278.440 3.180 20 0 CGADHO COc1ccc([C@@H](NC[C@H](C)C[NH+](C)C)C(C)C)cc1 ZINC000425946223 286359489 /nfs/dbraw/zinc/35/94/89/286359489.db2.gz OAHMKNPBDATMQM-YOEHRIQHSA-N 1 3 278.440 3.180 20 0 CGADHO C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501062 287064458 /nfs/dbraw/zinc/06/44/58/287064458.db2.gz KXBSWUIINGXMSP-BXUZGUMPSA-N 1 3 278.465 3.405 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000081516664 287073697 /nfs/dbraw/zinc/07/36/97/287073697.db2.gz BYSOEWBMDUMSSZ-QGZVFWFLSA-N 1 3 274.452 3.467 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000081516664 287073698 /nfs/dbraw/zinc/07/36/98/287073698.db2.gz BYSOEWBMDUMSSZ-QGZVFWFLSA-N 1 3 274.452 3.467 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000081516664 287073700 /nfs/dbraw/zinc/07/37/00/287073700.db2.gz BYSOEWBMDUMSSZ-QGZVFWFLSA-N 1 3 274.452 3.467 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000081516664 287073702 /nfs/dbraw/zinc/07/37/02/287073702.db2.gz BYSOEWBMDUMSSZ-QGZVFWFLSA-N 1 3 274.452 3.467 20 0 CGADHO CSCCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109895 165112396 /nfs/dbraw/zinc/11/23/96/165112396.db2.gz SLOYLJYCJNZYJH-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO CSCCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109895 165112398 /nfs/dbraw/zinc/11/23/98/165112398.db2.gz SLOYLJYCJNZYJH-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)C12CCCCC2 ZINC000087295307 165185230 /nfs/dbraw/zinc/18/52/30/165185230.db2.gz QCCXMRGSBWSWBD-SJORKVTESA-N 1 3 294.483 3.190 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000090076549 165224629 /nfs/dbraw/zinc/22/46/29/165224629.db2.gz MQXXVMKZBXEECA-PBHICJAKSA-N 1 3 286.419 3.295 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)[C@H](C)C1 ZINC000090076549 165224631 /nfs/dbraw/zinc/22/46/31/165224631.db2.gz MQXXVMKZBXEECA-PBHICJAKSA-N 1 3 286.419 3.295 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1F ZINC000094836709 165391146 /nfs/dbraw/zinc/39/11/46/165391146.db2.gz CKYLJPKLHHBABL-CQSZACIVSA-N 1 3 264.388 3.271 20 0 CGADHO C[C@@H](c1c(F)cccc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000336604403 287128537 /nfs/dbraw/zinc/12/85/37/287128537.db2.gz XAVMZJSBMGHXEQ-LBPRGKRZSA-N 1 3 280.362 3.101 20 0 CGADHO CCOc1ccccc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000125445562 287244861 /nfs/dbraw/zinc/24/48/61/287244861.db2.gz QWLXNEKBFFRSBG-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO FCCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285741955 196384250 /nfs/dbraw/zinc/38/42/50/196384250.db2.gz YDUXNFUZLJOJTL-GOSISDBHSA-N 1 3 290.426 3.334 20 0 CGADHO FCCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285741955 196384251 /nfs/dbraw/zinc/38/42/51/196384251.db2.gz YDUXNFUZLJOJTL-GOSISDBHSA-N 1 3 290.426 3.334 20 0 CGADHO FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037408187 173183854 /nfs/dbraw/zinc/18/38/54/173183854.db2.gz BNPKCEAACWUZKH-GFCCVEGCSA-N 1 3 298.352 3.279 20 0 CGADHO CC[C@@H]1C[C@H](C[N@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525659 287302765 /nfs/dbraw/zinc/30/27/65/287302765.db2.gz HYIYGWLXMWDZPI-IAGOWNOFSA-N 1 3 282.472 3.033 20 0 CGADHO CC[C@@H]1C[C@H](C[N@@H+](CCCN)CC2CCCC2)CCO1 ZINC000352525659 287302767 /nfs/dbraw/zinc/30/27/67/287302767.db2.gz HYIYGWLXMWDZPI-IAGOWNOFSA-N 1 3 282.472 3.033 20 0 CGADHO CC(C)[NH+]1CCC(NCc2cccc3[nH]ccc32)CC1 ZINC000070938690 176013139 /nfs/dbraw/zinc/01/31/39/176013139.db2.gz UTKAJACOGDRQMF-UHFFFAOYSA-N 1 3 271.408 3.130 20 0 CGADHO C(C1CCN(C[C@H]2CCCCO2)CC1)[NH+]1CCCCCC1 ZINC000048563697 416454194 /nfs/dbraw/zinc/45/41/94/416454194.db2.gz FQHVFNQDNOFBFG-GOSISDBHSA-N 1 3 294.483 3.144 20 0 CGADHO C[C@H]1CCC[N@H+](CCCCC2CCOCC2)[C@H]1CCN ZINC000404258717 416552952 /nfs/dbraw/zinc/55/29/52/416552952.db2.gz CJAQKKDCXDGYBR-RDJZCZTQSA-N 1 3 282.472 3.033 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@H]1CCN ZINC000404258717 416552953 /nfs/dbraw/zinc/55/29/53/416552953.db2.gz CJAQKKDCXDGYBR-RDJZCZTQSA-N 1 3 282.472 3.033 20 0 CGADHO CCOc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404309922 416552989 /nfs/dbraw/zinc/55/29/89/416552989.db2.gz JXPHUUVEHFUOEQ-WMLDXEAASA-N 1 3 276.424 3.035 20 0 CGADHO CC(C)(C)[N@@H+]1CCCN(c2ccnc3c(O)cccc23)CC1 ZINC000684572393 544015101 /nfs/dbraw/zinc/01/51/01/544015101.db2.gz YBHFCANJZKLPOI-UHFFFAOYSA-N 1 3 299.418 3.251 20 0 CGADHO CC(C)(C)[N@H+]1CCCN(c2ccnc3c(O)cccc23)CC1 ZINC000684572393 544015102 /nfs/dbraw/zinc/01/51/02/544015102.db2.gz YBHFCANJZKLPOI-UHFFFAOYSA-N 1 3 299.418 3.251 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462825 544076355 /nfs/dbraw/zinc/07/63/55/544076355.db2.gz NWCUSFDJZZBNCH-GOEBONIOSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1)C(C)(C)C ZINC000685462825 544076356 /nfs/dbraw/zinc/07/63/56/544076356.db2.gz NWCUSFDJZZBNCH-GOEBONIOSA-N 1 3 266.473 3.332 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246092176 287489647 /nfs/dbraw/zinc/48/96/47/287489647.db2.gz GUBFQSNTIZARNP-VQHPVUNQSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)CN(C)CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000652222765 418938238 /nfs/dbraw/zinc/93/82/38/418938238.db2.gz XCHFYSCNVNXWEA-MRXNPFEDSA-N 1 3 252.446 3.133 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000652238176 418939821 /nfs/dbraw/zinc/93/98/21/418939821.db2.gz WFNLJRTZLASCIU-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000652238176 418939823 /nfs/dbraw/zinc/93/98/23/418939823.db2.gz WFNLJRTZLASCIU-DOTOQJQBSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCc2ccsc2)[C@H]1CCN ZINC000652356017 418955962 /nfs/dbraw/zinc/95/59/62/418955962.db2.gz QFXRZDSUBDVVOI-HIFRSBDPSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCc2ccsc2)[C@H]1CCN ZINC000652356017 418955965 /nfs/dbraw/zinc/95/59/65/418955965.db2.gz QFXRZDSUBDVVOI-HIFRSBDPSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@@H]1CCCN(CCCc2ccsc2)[C@H]1CC[NH3+] ZINC000652356017 418955968 /nfs/dbraw/zinc/95/59/68/418955968.db2.gz QFXRZDSUBDVVOI-HIFRSBDPSA-N 1 3 266.454 3.130 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000652352803 418956342 /nfs/dbraw/zinc/95/63/42/418956342.db2.gz YHIGAKLZITZNKV-ZLIFDBKOSA-N 1 3 290.838 3.388 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000652352803 418956346 /nfs/dbraw/zinc/95/63/46/418956346.db2.gz YHIGAKLZITZNKV-ZLIFDBKOSA-N 1 3 290.838 3.388 20 0 CGADHO CC(C)(CC[N@@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000653558597 419047503 /nfs/dbraw/zinc/04/75/03/419047503.db2.gz LHYJSLXSOXVACG-OAHLLOKOSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)(CC[N@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000653558597 419047505 /nfs/dbraw/zinc/04/75/05/419047505.db2.gz LHYJSLXSOXVACG-OAHLLOKOSA-N 1 3 264.457 3.230 20 0 CGADHO c1ccc2c(c1)nccc2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664678313 418993024 /nfs/dbraw/zinc/99/30/24/418993024.db2.gz HBWJCERCEIXQRZ-INIZCTEOSA-N 1 3 295.430 3.191 20 0 CGADHO c1ccc2c(c1)nccc2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678313 418993027 /nfs/dbraw/zinc/99/30/27/418993027.db2.gz HBWJCERCEIXQRZ-INIZCTEOSA-N 1 3 295.430 3.191 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000655743600 419084496 /nfs/dbraw/zinc/08/44/96/419084496.db2.gz IKQXQTHOGGIHTI-HOTGVXAUSA-N 1 3 271.408 3.130 20 0 CGADHO CC[C@H](COCC1CC1)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665236034 419087214 /nfs/dbraw/zinc/08/72/14/419087214.db2.gz FVWGCVHBXSCUGN-OIISXLGYSA-N 1 3 282.472 3.092 20 0 CGADHO C[C@@H](CC1CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253164 419094175 /nfs/dbraw/zinc/09/41/75/419094175.db2.gz IOMCQZFVZUFBPW-FABXCBLPSA-N 1 3 294.389 3.189 20 0 CGADHO C[C@]1(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665266527 419097207 /nfs/dbraw/zinc/09/72/07/419097207.db2.gz DMJTXTVBDVAMMA-MJBXVCDLSA-N 1 3 266.335 3.156 20 0 CGADHO CC(C)c1nc([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)cs1 ZINC000655805895 419101167 /nfs/dbraw/zinc/10/11/67/419101167.db2.gz UJQWUASBFHVSNB-UPJWGTAASA-N 1 3 281.469 3.257 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(Cl)cc1 ZINC000665280308 419102219 /nfs/dbraw/zinc/10/22/19/419102219.db2.gz YDPWGSVLAXCYFZ-SMDDNHRTSA-N 1 3 254.805 3.364 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000665281583 419102569 /nfs/dbraw/zinc/10/25/69/419102569.db2.gz HEJWRMGSJGIDNP-GVDBMIGSSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000665281583 419102570 /nfs/dbraw/zinc/10/25/70/419102570.db2.gz HEJWRMGSJGIDNP-GVDBMIGSSA-N 1 3 260.425 3.286 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)C(C)(C)c1ccccc1 ZINC000665281293 419103161 /nfs/dbraw/zinc/10/31/61/419103161.db2.gz ZFYIZQOWFQNXIM-GDBMZVCRSA-N 1 3 262.441 3.316 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000665281293 419103164 /nfs/dbraw/zinc/10/31/64/419103164.db2.gz ZFYIZQOWFQNXIM-GDBMZVCRSA-N 1 3 262.441 3.316 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1ccco1 ZINC000665282835 419103695 /nfs/dbraw/zinc/10/36/95/419103695.db2.gz COIFDLGCOFPQIW-GJZGRUSLSA-N 1 3 264.413 3.113 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](OC)C2CCCCC2)C1 ZINC000659975451 419050878 /nfs/dbraw/zinc/05/08/78/419050878.db2.gz LOOXXPABHIBOIR-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659975451 419050880 /nfs/dbraw/zinc/05/08/80/419050880.db2.gz LOOXXPABHIBOIR-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659975451 419050883 /nfs/dbraw/zinc/05/08/83/419050883.db2.gz LOOXXPABHIBOIR-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO Cc1ccncc1[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656517716 419179510 /nfs/dbraw/zinc/17/95/10/419179510.db2.gz COXXYNDQSZXDBU-OAHLLOKOSA-N 1 3 296.418 3.105 20 0 CGADHO CC1(CN2CCC([NH2+]Cc3ccccc3)CC2)CCC1 ZINC000660675297 419180620 /nfs/dbraw/zinc/18/06/20/419180620.db2.gz HQTVLMDEKCNHHI-UHFFFAOYSA-N 1 3 272.436 3.431 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082901 419188100 /nfs/dbraw/zinc/18/81/00/419188100.db2.gz QWILRLCLAGBUKU-ZFWWWQNUSA-N 1 3 292.854 3.129 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC000666082898 419188376 /nfs/dbraw/zinc/18/83/76/419188376.db2.gz QWILRLCLAGBUKU-DZGCQCFKSA-N 1 3 292.854 3.129 20 0 CGADHO CC[C@@H]1C[C@@H](NCc2cccc(C[NH+](CC)CC)c2)CO1 ZINC000657315095 419248249 /nfs/dbraw/zinc/24/82/49/419248249.db2.gz KAEDSHAHJXTVMW-QZTJIDSGSA-N 1 3 290.451 3.186 20 0 CGADHO Fc1ccccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785508 419219530 /nfs/dbraw/zinc/21/95/30/419219530.db2.gz KZLBUHGNNAFKTF-HNNXBMFYSA-N 1 3 276.399 3.037 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000657670304 419325692 /nfs/dbraw/zinc/32/56/92/419325692.db2.gz STAXYGJJTCVBKS-QAPCUYQASA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc(F)c(F)c2)[C@@H]1CCC[NH3+] ZINC000662314057 419390660 /nfs/dbraw/zinc/39/06/60/419390660.db2.gz LXDLYUUKPRVXOS-MLGOLLRUSA-N 1 3 282.378 3.304 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(C(C)(C)C)c1 ZINC000662266417 419374918 /nfs/dbraw/zinc/37/49/18/419374918.db2.gz YHLAXCLGRXQWPP-DZGCQCFKSA-N 1 3 260.425 3.153 20 0 CGADHO CCN(C[C@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662263158 419376033 /nfs/dbraw/zinc/37/60/33/419376033.db2.gz IBFUQVWBTRCKAX-KGLIPLIRSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@H+](C[C@H]1CCCCC1(F)F)[C@H]1CCCNCC1 ZINC000662263158 419376038 /nfs/dbraw/zinc/37/60/38/419376038.db2.gz IBFUQVWBTRCKAX-KGLIPLIRSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@H]1CCCCC1(F)F)[C@H]1CCCNCC1 ZINC000662263158 419376041 /nfs/dbraw/zinc/37/60/41/419376041.db2.gz IBFUQVWBTRCKAX-KGLIPLIRSA-N 1 3 274.399 3.276 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCCC2(C)C)CC[C@H]1N ZINC000662271266 419379248 /nfs/dbraw/zinc/37/92/48/419379248.db2.gz UTHCSDDIPUXNNH-QLFBSQMISA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CC[C@H]1N ZINC000662271266 419379249 /nfs/dbraw/zinc/37/92/49/419379249.db2.gz UTHCSDDIPUXNNH-QLFBSQMISA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C[C@@H]1CN ZINC000662280132 419382082 /nfs/dbraw/zinc/38/20/82/419382082.db2.gz CTZOBAXAHPIZMF-OIISXLGYSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C[C@@H]1CN ZINC000662280132 419382088 /nfs/dbraw/zinc/38/20/88/419382088.db2.gz CTZOBAXAHPIZMF-OIISXLGYSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C[C@@H]1C[NH3+] ZINC000662280132 419382093 /nfs/dbraw/zinc/38/20/93/419382093.db2.gz CTZOBAXAHPIZMF-OIISXLGYSA-N 1 3 272.436 3.023 20 0 CGADHO Cc1ccccc1C1(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000662282248 419385573 /nfs/dbraw/zinc/38/55/73/419385573.db2.gz DYGQLGLWCAKPLG-UHFFFAOYSA-N 1 3 292.426 3.420 20 0 CGADHO C[NH+](C)[C@@H](CNc1nccc2[nH]ccc21)Cc1ccccc1 ZINC000663329024 419559340 /nfs/dbraw/zinc/55/93/40/419559340.db2.gz UYYWGRZOHWQOEZ-OAHLLOKOSA-N 1 3 294.402 3.148 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497978 419635783 /nfs/dbraw/zinc/63/57/83/419635783.db2.gz LXYNWWPMUISFTP-QBHHXUBYSA-N 1 3 290.838 3.318 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663464594 419617355 /nfs/dbraw/zinc/61/73/55/419617355.db2.gz DUAXBNHIZMBRFO-IRXDYDNUSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464594 419617361 /nfs/dbraw/zinc/61/73/61/419617361.db2.gz DUAXBNHIZMBRFO-IRXDYDNUSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](CC(C)(C)C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663464594 419617373 /nfs/dbraw/zinc/61/73/73/419617373.db2.gz DUAXBNHIZMBRFO-IRXDYDNUSA-N 1 3 296.499 3.149 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)(C)C ZINC000663470670 419626157 /nfs/dbraw/zinc/62/61/57/419626157.db2.gz WGMXPNVBUCNNHC-DZGCQCFKSA-N 1 3 252.446 3.133 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N1CCCCC1 ZINC000337463007 292650983 /nfs/dbraw/zinc/65/09/83/292650983.db2.gz KXHZAEPUBSIOJG-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO CC[NH2+]CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000130002193 260391831 /nfs/dbraw/zinc/39/18/31/260391831.db2.gz YDVFAZRNRJEXNG-UHFFFAOYSA-N 1 3 296.842 3.040 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@](C)(O)C2CCCCC2)CC1 ZINC000188656328 262335790 /nfs/dbraw/zinc/33/57/90/262335790.db2.gz PDUPTAXXVRJPCS-SFHVURJKSA-N 1 3 296.499 3.170 20 0 CGADHO C1C[C@@H]2C[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)CCN2C1 ZINC000106868898 270049329 /nfs/dbraw/zinc/04/93/29/270049329.db2.gz VJOLCHNHPKZXQB-PBNGXKPNSA-N 1 3 274.452 3.028 20 0 CGADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000185239583 270062147 /nfs/dbraw/zinc/06/21/47/270062147.db2.gz CDQQMBVXWRLHON-CVEARBPZSA-N 1 3 296.499 3.431 20 0 CGADHO CC(C)C[C@@H]1OCCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000186833858 270067436 /nfs/dbraw/zinc/06/74/36/270067436.db2.gz ICHSGHAZQWXXEU-SJORKVTESA-N 1 3 296.499 3.433 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190177354 270073042 /nfs/dbraw/zinc/07/30/42/270073042.db2.gz DWALWTXDRMGIQJ-STQMWFEESA-N 1 3 292.389 3.381 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190177354 270073043 /nfs/dbraw/zinc/07/30/43/270073043.db2.gz DWALWTXDRMGIQJ-STQMWFEESA-N 1 3 292.389 3.381 20 0 CGADHO FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000525986152 270121684 /nfs/dbraw/zinc/12/16/84/270121684.db2.gz SBVAWSTZQVXBJV-ALOPSCKCSA-N 1 3 288.410 3.274 20 0 CGADHO COC1(CNC2CC[NH+](CC3CC3)CC2)CCC(C)CC1 ZINC000527531072 270128579 /nfs/dbraw/zinc/12/85/79/270128579.db2.gz NCJUJJCDVZGSAD-UHFFFAOYSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000527921237 270144048 /nfs/dbraw/zinc/14/40/48/270144048.db2.gz QNSZCTMHGQXQFW-QAPCUYQASA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527921237 270144049 /nfs/dbraw/zinc/14/40/49/270144049.db2.gz QNSZCTMHGQXQFW-QAPCUYQASA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527921772 270144360 /nfs/dbraw/zinc/14/43/60/270144360.db2.gz UYAINYOKHDIUSA-CRAIPNDOSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000527921772 270144361 /nfs/dbraw/zinc/14/43/61/270144361.db2.gz UYAINYOKHDIUSA-CRAIPNDOSA-N 1 3 274.452 3.315 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000531955316 270211188 /nfs/dbraw/zinc/21/11/88/270211188.db2.gz ZZANTOXZEJWKAJ-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[NH+]1CCC(C)(CN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000272532995 273868120 /nfs/dbraw/zinc/86/81/20/273868120.db2.gz JNPXEFSOOOTROM-HNNXBMFYSA-N 1 3 294.389 3.274 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CC2 ZINC000092835524 274132061 /nfs/dbraw/zinc/13/20/61/274132061.db2.gz SHDBINBAEYAATF-SFHVURJKSA-N 1 3 288.435 3.148 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCNCC2)c2sccc21 ZINC000335453412 274318055 /nfs/dbraw/zinc/31/80/55/274318055.db2.gz UMONAOKBEAJKHQ-MFKMUULPSA-N 1 3 250.411 3.028 20 0 CGADHO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2ccccc2n1 ZINC000252857902 274713544 /nfs/dbraw/zinc/71/35/44/274713544.db2.gz LNRUSFFYQUMKDA-CWRNSKLLSA-N 1 3 281.403 3.107 20 0 CGADHO c1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000415059107 275064334 /nfs/dbraw/zinc/06/43/34/275064334.db2.gz WPDKCPRJHBCSBC-MOPGFXCFSA-N 1 3 284.447 3.139 20 0 CGADHO C(CCN1CC[C@@H](C[NH+]2CCCC2)C1)CC1CCOCC1 ZINC000369204505 275390679 /nfs/dbraw/zinc/39/06/79/275390679.db2.gz OSCVVCDDZSJSEJ-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC[N@@H+]1CC[C@@H](CN2CCCC2)C1)CC1CCOCC1 ZINC000369204505 275390680 /nfs/dbraw/zinc/39/06/80/275390680.db2.gz OSCVVCDDZSJSEJ-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C(CC[N@H+]1CC[C@@H](CN2CCCC2)C1)CC1CCOCC1 ZINC000369204505 275390681 /nfs/dbraw/zinc/39/06/81/275390681.db2.gz OSCVVCDDZSJSEJ-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Cc1ccccc1 ZINC000423073422 275700505 /nfs/dbraw/zinc/70/05/05/275700505.db2.gz RLVNYTGFFMYZDH-OKZBNKHCSA-N 1 3 274.452 3.218 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430750215 275815005 /nfs/dbraw/zinc/81/50/05/275815005.db2.gz MZUUQENLUUVCGH-GFCCVEGCSA-N 1 3 274.399 3.274 20 0 CGADHO CC1(C)CC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000336518563 276115935 /nfs/dbraw/zinc/11/59/35/276115935.db2.gz JENDPBDZTXBCSL-HNNXBMFYSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000414977802 276465657 /nfs/dbraw/zinc/46/56/57/276465657.db2.gz RWZLJKDHPYVPRL-KFWWJZLASA-N 1 3 252.446 3.181 20 0 CGADHO CN(C)Cc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448055321 276771490 /nfs/dbraw/zinc/77/14/90/276771490.db2.gz GVQUVCARXMALDL-UHFFFAOYSA-N 1 3 258.409 3.171 20 0 CGADHO C[NH+](C)CCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449106967 276783823 /nfs/dbraw/zinc/78/38/23/276783823.db2.gz NZQKUIMAWIIMLH-GFCCVEGCSA-N 1 3 286.341 3.023 20 0 CGADHO CN1CCCC12CC[NH+](C[C@H]1C[C@H]1c1ccccc1)CC2 ZINC000361349159 277042326 /nfs/dbraw/zinc/04/23/26/277042326.db2.gz RYXBUDVKWIRZCV-MSOLQXFVSA-N 1 3 284.447 3.350 20 0 CGADHO COCC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000449181312 277200885 /nfs/dbraw/zinc/20/08/85/277200885.db2.gz GQDLIDQTJJVWLB-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000279705633 277333987 /nfs/dbraw/zinc/33/39/87/277333987.db2.gz JXRDYZFOXYLNQY-JZXOWHBKSA-N 1 3 290.451 3.084 20 0 CGADHO C[C@@H]1CCCC[C@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000394797455 288004272 /nfs/dbraw/zinc/00/42/72/288004272.db2.gz QNRYIDDMTRHIQY-ZBFHGGJFSA-N 1 3 264.457 3.277 20 0 CGADHO CC/C=C\CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342251820 278165688 /nfs/dbraw/zinc/16/56/88/278165688.db2.gz RGLUCESEJSEPGG-AWFCHZOYSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251820 278165690 /nfs/dbraw/zinc/16/56/90/278165690.db2.gz RGLUCESEJSEPGG-AWFCHZOYSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000342251820 278165692 /nfs/dbraw/zinc/16/56/92/278165692.db2.gz RGLUCESEJSEPGG-AWFCHZOYSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000342251820 278165693 /nfs/dbraw/zinc/16/56/93/278165693.db2.gz RGLUCESEJSEPGG-AWFCHZOYSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@@H](CN1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528285 278195243 /nfs/dbraw/zinc/19/52/43/278195243.db2.gz YUQKIOVSWBJODW-JCECYMMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@@H](CN1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426528285 278195244 /nfs/dbraw/zinc/19/52/44/278195244.db2.gz YUQKIOVSWBJODW-JCECYMMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CC[C@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528285 278195245 /nfs/dbraw/zinc/19/52/45/278195245.db2.gz YUQKIOVSWBJODW-JCECYMMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@H](CN1CC[C@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528285 278195247 /nfs/dbraw/zinc/19/52/47/278195247.db2.gz YUQKIOVSWBJODW-JCECYMMASA-N 1 3 276.468 3.371 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397258914 288022186 /nfs/dbraw/zinc/02/21/86/288022186.db2.gz JHEJDPZSKOSZAL-XUJVJEKNSA-N 1 3 282.378 3.429 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000397353287 288023090 /nfs/dbraw/zinc/02/30/90/288023090.db2.gz VFQGZJAQWGDIGG-DYEKYZERSA-N 1 3 298.377 3.093 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1c(Cl)cccc1Cl ZINC000415023677 278228034 /nfs/dbraw/zinc/22/80/34/278228034.db2.gz NHZFRHFIHWUTEJ-VIFPVBQESA-N 1 3 261.196 3.210 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCC(F)(F)CC1 ZINC000423215280 278268271 /nfs/dbraw/zinc/26/82/71/278268271.db2.gz MVXHNSQGBOFXGU-SGMGOOAPSA-N 1 3 274.399 3.178 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]C[C@@H](C)CN(C)C)C2CC2)cc1 ZINC000425938229 278809370 /nfs/dbraw/zinc/80/93/70/278809370.db2.gz VXZUJTXTZMZXDN-QAPCUYQASA-N 1 3 274.452 3.103 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@H]1CC(C)(C)c2ccccc21 ZINC000468979518 279258595 /nfs/dbraw/zinc/25/85/95/279258595.db2.gz KPYWVAFOBUMDFW-CJNGLKHVSA-N 1 3 260.425 3.339 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423298643 279289715 /nfs/dbraw/zinc/28/97/15/279289715.db2.gz ALYBKPKYQPRFKA-XNRPHZJLSA-N 1 3 280.843 3.236 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527670773 288187516 /nfs/dbraw/zinc/18/75/16/288187516.db2.gz QMIMSPHUVUMEGM-HZPDHXFCSA-N 1 3 271.408 3.130 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCCCC1 ZINC000422883008 280950875 /nfs/dbraw/zinc/95/08/75/280950875.db2.gz UABHHYPHCZLXON-IMJJTQAJSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)CC3 ZINC000414936406 281035538 /nfs/dbraw/zinc/03/55/38/281035538.db2.gz CTAIVKPRJJQSAL-JJRVBVJISA-N 1 3 297.446 3.064 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423395989 281123547 /nfs/dbraw/zinc/12/35/47/281123547.db2.gz SBWTYJPSCZSZCJ-BFYDXBDKSA-N 1 3 258.409 3.232 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530177864 288295484 /nfs/dbraw/zinc/29/54/84/288295484.db2.gz JABHLMIYPJZFOW-MGPQQGTHSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530177864 288295485 /nfs/dbraw/zinc/29/54/85/288295485.db2.gz JABHLMIYPJZFOW-MGPQQGTHSA-N 1 3 250.430 3.075 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178478 288295953 /nfs/dbraw/zinc/29/59/53/288295953.db2.gz LNGVTMKWDUSMNW-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530178478 288295954 /nfs/dbraw/zinc/29/59/54/288295954.db2.gz LNGVTMKWDUSMNW-RBSFLKMASA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@H]([NH+](C)C)CC3)c2c1 ZINC000428682069 281169461 /nfs/dbraw/zinc/16/94/61/281169461.db2.gz QRFDJPHNAMKSFZ-HNNXBMFYSA-N 1 3 283.419 3.464 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462481322 281306976 /nfs/dbraw/zinc/30/69/76/281306976.db2.gz RSMMCKVLHJJRSF-CABCVRRESA-N 1 3 283.419 3.168 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462481322 281306978 /nfs/dbraw/zinc/30/69/78/281306978.db2.gz RSMMCKVLHJJRSF-CABCVRRESA-N 1 3 283.419 3.168 20 0 CGADHO CC[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)C ZINC000531704535 288341437 /nfs/dbraw/zinc/34/14/37/288341437.db2.gz GIGPUTCHFMJEFV-SFHVURJKSA-N 1 3 292.467 3.194 20 0 CGADHO CC1CCC(C)(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000423086720 281711861 /nfs/dbraw/zinc/71/18/61/281711861.db2.gz NUAXDMODCPMOOO-LVDPKSTMSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000532198148 288354714 /nfs/dbraw/zinc/35/47/14/288354714.db2.gz GRKXFGIWIVDEAV-IRXDYDNUSA-N 1 3 260.425 3.417 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1Cl ZINC000532200122 288355123 /nfs/dbraw/zinc/35/51/23/288355123.db2.gz RCMSIBGHXNYDFO-ZDUSSCGKSA-N 1 3 296.842 3.485 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCC1 ZINC000532200546 288355184 /nfs/dbraw/zinc/35/51/84/288355184.db2.gz QVZLFXQUOMLQEL-GOSISDBHSA-N 1 3 292.442 3.468 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532463479 288362729 /nfs/dbraw/zinc/36/27/29/288362729.db2.gz BDTFWIXEMPDUID-WMZOPIPTSA-N 1 3 274.452 3.432 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000532463479 288362730 /nfs/dbraw/zinc/36/27/30/288362730.db2.gz BDTFWIXEMPDUID-WMZOPIPTSA-N 1 3 274.452 3.432 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532463475 288362872 /nfs/dbraw/zinc/36/28/72/288362872.db2.gz BDTFWIXEMPDUID-AEFFLSMTSA-N 1 3 274.452 3.432 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000532463475 288362873 /nfs/dbraw/zinc/36/28/73/288362873.db2.gz BDTFWIXEMPDUID-AEFFLSMTSA-N 1 3 274.452 3.432 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(OC)CC1 ZINC000543404027 288800858 /nfs/dbraw/zinc/80/08/58/288800858.db2.gz YDJYCWRNHSEXFI-CPFNUKBASA-N 1 3 296.499 3.434 20 0 CGADHO CCC1CC([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000551778764 289130709 /nfs/dbraw/zinc/13/07/09/289130709.db2.gz IKFJSQQHTHLZPG-UIDBIOKJSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H](Cc1ccsc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000552111346 289164348 /nfs/dbraw/zinc/16/43/48/289164348.db2.gz YOIMUVZVIRXQAM-GOEBONIOSA-N 1 3 278.465 3.097 20 0 CGADHO C[C@@H](Cc1ccsc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552111346 289164349 /nfs/dbraw/zinc/16/43/49/289164349.db2.gz YOIMUVZVIRXQAM-GOEBONIOSA-N 1 3 278.465 3.097 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000554385500 289280183 /nfs/dbraw/zinc/28/01/83/289280183.db2.gz ALRKSSLAOFNRDG-IVSAIRAKSA-N 1 3 264.457 3.418 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000562019660 289668160 /nfs/dbraw/zinc/66/81/60/289668160.db2.gz NVWZIDSMIWOJMT-JONQDZQNSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](C[NH2+]C1CCC(C)(C)CC1)CN1CCCC1 ZINC000079654871 289686434 /nfs/dbraw/zinc/68/64/34/289686434.db2.gz VMRMZVZJUVREBS-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261688739 290243768 /nfs/dbraw/zinc/24/37/68/290243768.db2.gz NDNWVMHIGJWROP-ZMYBRWDISA-N 1 3 280.415 3.442 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423144460 295273803 /nfs/dbraw/zinc/27/38/03/295273803.db2.gz GYUCGYDRFUCNDD-UHNFBRDESA-N 1 3 280.362 3.059 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414949029 297109415 /nfs/dbraw/zinc/10/94/15/297109415.db2.gz ZKHFBNQBZCYDOB-XSCHDIRWSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1cc(C)cc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422892696 301232829 /nfs/dbraw/zinc/23/28/29/301232829.db2.gz ZHKOLTCOMIFRJS-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000563484110 322000264 /nfs/dbraw/zinc/00/02/64/322000264.db2.gz YJXZDJKVTNILCS-DLBZAZTESA-N 1 3 274.452 3.246 20 0 CGADHO CN(C)Cc1cccc(C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000564619663 322036731 /nfs/dbraw/zinc/03/67/31/322036731.db2.gz ZZUFMXOLPCETDA-UHFFFAOYSA-N 1 3 294.442 3.253 20 0 CGADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccc(-c2ccncc2)c1 ZINC000564827795 322045489 /nfs/dbraw/zinc/04/54/89/322045489.db2.gz HCZMRKAAJJDTSW-AWEZNQCLSA-N 1 3 281.403 3.281 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000565226695 322068190 /nfs/dbraw/zinc/06/81/90/322068190.db2.gz MLIGKPADHPYUBN-DLBZAZTESA-N 1 3 274.452 3.386 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000565226695 322068193 /nfs/dbraw/zinc/06/81/93/322068193.db2.gz MLIGKPADHPYUBN-DLBZAZTESA-N 1 3 274.452 3.386 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccncc1C ZINC000565344457 322074100 /nfs/dbraw/zinc/07/41/00/322074100.db2.gz IGXFQVKNXZSEOU-UHFFFAOYSA-N 1 3 297.446 3.474 20 0 CGADHO CC[NH2+]CCCN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000565886448 322095437 /nfs/dbraw/zinc/09/54/37/322095437.db2.gz MUOLPMGBNQWGME-INIZCTEOSA-N 1 3 280.843 3.250 20 0 CGADHO CCNCCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000565886448 322095438 /nfs/dbraw/zinc/09/54/38/322095438.db2.gz MUOLPMGBNQWGME-INIZCTEOSA-N 1 3 280.843 3.250 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000566089569 322104203 /nfs/dbraw/zinc/10/42/03/322104203.db2.gz QNCWTCXWMNYNRV-ARLBYUKCSA-N 1 3 287.451 3.468 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000566673475 322133721 /nfs/dbraw/zinc/13/37/21/322133721.db2.gz NVAUANCSOBAGRG-VBNZEHGJSA-N 1 3 287.451 3.468 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000567462603 322163914 /nfs/dbraw/zinc/16/39/14/322163914.db2.gz UHDGATIZFNEBND-IAGOWNOFSA-N 1 3 260.425 3.220 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000567462603 322163916 /nfs/dbraw/zinc/16/39/16/322163916.db2.gz UHDGATIZFNEBND-IAGOWNOFSA-N 1 3 260.425 3.220 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(Cl)c2cccnc12 ZINC000567870951 322180968 /nfs/dbraw/zinc/18/09/68/322180968.db2.gz AHZKDCUMPVVCAS-WDEREUQCSA-N 1 3 277.799 3.104 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]Cc1ccccc1OCCN(C)C ZINC000568139338 322194627 /nfs/dbraw/zinc/19/46/27/322194627.db2.gz CLNHFGIGNGPLSF-INIZCTEOSA-N 1 3 292.467 3.399 20 0 CGADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000568566982 322213991 /nfs/dbraw/zinc/21/39/91/322213991.db2.gz ZLIZCIMTMLXLSG-CJNGLKHVSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000568566982 322213994 /nfs/dbraw/zinc/21/39/94/322213994.db2.gz ZLIZCIMTMLXLSG-CJNGLKHVSA-N 1 3 280.843 3.420 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000569447646 322247464 /nfs/dbraw/zinc/24/74/64/322247464.db2.gz JXNKLVNQPGXQIW-YJBOKZPZSA-N 1 3 274.452 3.330 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000569684474 322253974 /nfs/dbraw/zinc/25/39/74/322253974.db2.gz CPUCJLLBHUWKHJ-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000569745335 322255985 /nfs/dbraw/zinc/25/59/85/322255985.db2.gz UORNBZLHSLVOMJ-JHJVBQTASA-N 1 3 260.372 3.062 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000570536267 322276249 /nfs/dbraw/zinc/27/62/49/322276249.db2.gz HMNJRHMRNQNUKN-HRCADAONSA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000570536267 322276251 /nfs/dbraw/zinc/27/62/51/322276251.db2.gz HMNJRHMRNQNUKN-HRCADAONSA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000570536267 322276253 /nfs/dbraw/zinc/27/62/53/322276253.db2.gz HMNJRHMRNQNUKN-HRCADAONSA-N 1 3 278.827 3.302 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc3sccc3c2)C1 ZINC000570582571 322277301 /nfs/dbraw/zinc/27/73/01/322277301.db2.gz AYGNTFGRLMYTOF-KBPBESRZSA-N 1 3 260.406 3.261 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cc3ccccc3s2)C1 ZINC000573338824 322383082 /nfs/dbraw/zinc/38/30/82/322383082.db2.gz ZYGIJZOHQDMTFB-ZIAGYGMSSA-N 1 3 274.433 3.303 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cc3ccccc3s2)C1 ZINC000573338824 322383084 /nfs/dbraw/zinc/38/30/84/322383084.db2.gz ZYGIJZOHQDMTFB-ZIAGYGMSSA-N 1 3 274.433 3.303 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000573981069 322416918 /nfs/dbraw/zinc/41/69/18/322416918.db2.gz IMXLZQMDSCWYAS-BDXSIMOUSA-N 1 3 288.435 3.075 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCCCc2ccc(F)cc2)C1 ZINC000582617949 329118622 /nfs/dbraw/zinc/11/86/22/329118622.db2.gz ZZRZUXVVLOWFQF-SJORKVTESA-N 1 3 278.415 3.398 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000394878248 329163601 /nfs/dbraw/zinc/16/36/01/329163601.db2.gz GPZQBYNVVDPMHL-OAGGEKHMSA-N 1 3 252.446 3.133 20 0 CGADHO CC(F)(F)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000582975974 329297951 /nfs/dbraw/zinc/29/79/51/329297951.db2.gz SQTNSHFYXVZNBU-ZIAGYGMSSA-N 1 3 268.351 3.158 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000576360819 335194924 /nfs/dbraw/zinc/19/49/24/335194924.db2.gz OHLCVKCWOCYQRN-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)CN1CCCC1 ZINC000577014598 335280232 /nfs/dbraw/zinc/28/02/32/335280232.db2.gz JTGUIZSSPUVSJO-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO NC1(C[NH2+]Cc2ccnc3ccccc23)CCCCCC1 ZINC000577589504 335374382 /nfs/dbraw/zinc/37/43/82/335374382.db2.gz FJRARHQNGQERRG-UHFFFAOYSA-N 1 3 283.419 3.376 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]CC2CCCCC2)C[C@@H](C)O1 ZINC000178894911 335458721 /nfs/dbraw/zinc/45/87/21/335458721.db2.gz CQOPADVVIRTQRQ-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO C(C1CCCCCC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000581489275 336088313 /nfs/dbraw/zinc/08/83/13/336088313.db2.gz SSJJTVFYNPNTHR-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO C(C1CCCCCC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000581489275 336088315 /nfs/dbraw/zinc/08/83/15/336088315.db2.gz SSJJTVFYNPNTHR-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO CC(C)C[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000581488472 336088409 /nfs/dbraw/zinc/08/84/09/336088409.db2.gz JKUGNAKRNQTHTF-NXHRZFHOSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000581488472 336088411 /nfs/dbraw/zinc/08/84/11/336088411.db2.gz JKUGNAKRNQTHTF-NXHRZFHOSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000581488472 336088413 /nfs/dbraw/zinc/08/84/13/336088413.db2.gz JKUGNAKRNQTHTF-NXHRZFHOSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000581488471 336088452 /nfs/dbraw/zinc/08/84/52/336088452.db2.gz JKUGNAKRNQTHTF-KBAYOESNSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000581488471 336088453 /nfs/dbraw/zinc/08/84/53/336088453.db2.gz JKUGNAKRNQTHTF-KBAYOESNSA-N 1 3 274.452 3.485 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000581488471 336088455 /nfs/dbraw/zinc/08/84/55/336088455.db2.gz JKUGNAKRNQTHTF-KBAYOESNSA-N 1 3 274.452 3.485 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1c(F)cccc1Cl ZINC000581489420 336088559 /nfs/dbraw/zinc/08/85/59/336088559.db2.gz XJHJTCGSSOWOTP-WDEREUQCSA-N 1 3 272.795 3.127 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCCc1c(F)cccc1Cl ZINC000581489420 336088560 /nfs/dbraw/zinc/08/85/60/336088560.db2.gz XJHJTCGSSOWOTP-WDEREUQCSA-N 1 3 272.795 3.127 20 0 CGADHO C[N@H+](Cc1ccc(Cl)c2cccnc12)C1(CN)CCC1 ZINC000385482013 336148682 /nfs/dbraw/zinc/14/86/82/336148682.db2.gz OANIUEHPSVQHPI-UHFFFAOYSA-N 1 3 289.810 3.201 20 0 CGADHO C[N@@H+](Cc1ccc(Cl)c2cccnc12)C1(CN)CCC1 ZINC000385482013 336148683 /nfs/dbraw/zinc/14/86/83/336148683.db2.gz OANIUEHPSVQHPI-UHFFFAOYSA-N 1 3 289.810 3.201 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000423328869 533897653 /nfs/dbraw/zinc/89/76/53/533897653.db2.gz SNBMNGLUXWZDFG-ZANVPECISA-N 1 3 272.314 3.093 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)NCCC[NH2+]C1CC1 ZINC000423568629 534266951 /nfs/dbraw/zinc/26/69/51/534266951.db2.gz VSQWSTOCJDLBTK-ZDUSSCGKSA-N 1 3 272.392 3.096 20 0 CGADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCNC1CC1 ZINC000423568629 534266953 /nfs/dbraw/zinc/26/69/53/534266953.db2.gz VSQWSTOCJDLBTK-ZDUSSCGKSA-N 1 3 272.392 3.096 20 0 CGADHO c1ccc([C@H](NCCC[C@@H]2CCC[NH2+]2)c2ccccn2)cc1 ZINC000423480966 534501937 /nfs/dbraw/zinc/50/19/37/534501937.db2.gz NVSAOCCFUBMDCX-HKUYNNGSSA-N 1 3 295.430 3.293 20 0 CGADHO Cc1ccc2ncc(C[N@@H+](C)C[C@H]3CCCN(C)C3)cc2c1 ZINC000411283670 534513212 /nfs/dbraw/zinc/51/32/12/534513212.db2.gz LNMFOFFTVSJIDH-INIZCTEOSA-N 1 3 297.446 3.317 20 0 CGADHO Cc1ccc2ncc(C[N@H+](C)C[C@H]3CCCN(C)C3)cc2c1 ZINC000411283670 534513216 /nfs/dbraw/zinc/51/32/16/534513216.db2.gz LNMFOFFTVSJIDH-INIZCTEOSA-N 1 3 297.446 3.317 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643692 521711629 /nfs/dbraw/zinc/71/16/29/521711629.db2.gz LKYWXHUFCHKFAR-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643692 521711630 /nfs/dbraw/zinc/71/16/30/521711630.db2.gz LKYWXHUFCHKFAR-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(OC)ccc32)C1 ZINC000037643692 521711631 /nfs/dbraw/zinc/71/16/31/521711631.db2.gz LKYWXHUFCHKFAR-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO [NH3+]CCC[C@@H](NCc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000415047651 534621035 /nfs/dbraw/zinc/62/10/35/534621035.db2.gz FICHVJLFMBDAGZ-QGZVFWFLSA-N 1 3 294.402 3.133 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC000290484636 523784021 /nfs/dbraw/zinc/78/40/21/523784021.db2.gz OEWBANXVWKTBAY-QGZVFWFLSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC000290484636 523784024 /nfs/dbraw/zinc/78/40/24/523784024.db2.gz OEWBANXVWKTBAY-QGZVFWFLSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC000290484632 523784705 /nfs/dbraw/zinc/78/47/05/523784705.db2.gz OEWBANXVWKTBAY-KRWDZBQOSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](Cc3cccc4cc[nH]c43)C2)CC1 ZINC000290484632 523784710 /nfs/dbraw/zinc/78/47/10/523784710.db2.gz OEWBANXVWKTBAY-KRWDZBQOSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514399 523820094 /nfs/dbraw/zinc/82/00/94/523820094.db2.gz QKUMEACEYVXFBI-QGZVFWFLSA-N 1 3 288.435 3.089 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000161514399 523820101 /nfs/dbraw/zinc/82/01/01/523820101.db2.gz QKUMEACEYVXFBI-QGZVFWFLSA-N 1 3 288.435 3.089 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157431454 525089163 /nfs/dbraw/zinc/08/91/63/525089163.db2.gz IXYBPMTUZNBUKL-GPQLOAJWSA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157431454 525089176 /nfs/dbraw/zinc/08/91/76/525089176.db2.gz IXYBPMTUZNBUKL-GPQLOAJWSA-N 1 3 284.447 3.457 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826952 525503913 /nfs/dbraw/zinc/50/39/13/525503913.db2.gz AHJLSZITUQMVTN-VXGBXAGGSA-N 1 3 280.362 3.100 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)CC[NH+](C)C ZINC000049553467 525524897 /nfs/dbraw/zinc/52/48/97/525524897.db2.gz QNPKLDUFDLPGBZ-SUMWQHHRSA-N 1 3 276.424 3.002 20 0 CGADHO C/C=C\COc1ccc(CC[C@H](C)NCC(C)(C)[NH3+])cc1 ZINC000423289363 526310993 /nfs/dbraw/zinc/31/09/93/526310993.db2.gz WZVTYDJHNPQOHV-YVACAVLKSA-N 1 3 290.451 3.290 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000414290628 526661835 /nfs/dbraw/zinc/66/18/35/526661835.db2.gz AFJVSVUAIQXDKS-FPCVCCKLSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]CC[C@H]1CCOC1 ZINC000437954871 527031776 /nfs/dbraw/zinc/03/17/76/527031776.db2.gz NMJQGFSPNSDZIK-INIZCTEOSA-N 1 3 282.472 3.047 20 0 CGADHO C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)[C@@H]1C[C@H]1C1CCC1 ZINC000424378726 527491855 /nfs/dbraw/zinc/49/18/55/527491855.db2.gz ODNIZTRTPGFNLO-RZFLPCETSA-N 1 3 276.468 3.323 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCNC2)C12CCCCC2 ZINC000423343173 527942314 /nfs/dbraw/zinc/94/23/14/527942314.db2.gz NPLWGYNEMVRJNI-GVDBMIGSSA-N 1 3 294.483 3.094 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423440940 528166159 /nfs/dbraw/zinc/16/61/59/528166159.db2.gz ITKLMOTYLZWYKR-MCIONIFRSA-N 1 3 264.413 3.108 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(OC)cc1 ZINC000423361730 528241316 /nfs/dbraw/zinc/24/13/16/528241316.db2.gz AOYFEBCNZPNFHZ-JQFCIGGWSA-N 1 3 276.424 3.124 20 0 CGADHO CCCCOC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000444621125 528572081 /nfs/dbraw/zinc/57/20/81/528572081.db2.gz QSAVMTMSQDYIKA-UHFFFAOYSA-N 1 3 282.472 3.144 20 0 CGADHO CCCCO[C@@H]1C[C@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000423287452 528642131 /nfs/dbraw/zinc/64/21/31/528642131.db2.gz MKLHYUBSTNDJEC-UONOGXRCSA-N 1 3 270.461 3.077 20 0 CGADHO CCCCO[C@@H]1C[C@H](NCC([NH3+])(CC)CC)C1(C)C ZINC000423287452 528642132 /nfs/dbraw/zinc/64/21/32/528642132.db2.gz MKLHYUBSTNDJEC-UONOGXRCSA-N 1 3 270.461 3.077 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000449100782 528835275 /nfs/dbraw/zinc/83/52/75/528835275.db2.gz SLUPPJMVTVEUTB-VKJFTORMSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000449100782 528835281 /nfs/dbraw/zinc/83/52/81/528835281.db2.gz SLUPPJMVTVEUTB-VKJFTORMSA-N 1 3 290.451 3.182 20 0 CGADHO CCC(N)(CC)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423287415 528951293 /nfs/dbraw/zinc/95/12/93/528951293.db2.gz MDOYZRAFOZTMGU-OAHLLOKOSA-N 1 3 264.388 3.310 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423271829 529072105 /nfs/dbraw/zinc/07/21/05/529072105.db2.gz JLEAXNXGZZZLRT-CABCVRRESA-N 1 3 266.816 3.290 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)CN1CCCC1 ZINC000479566442 535242798 /nfs/dbraw/zinc/24/27/98/535242798.db2.gz CJEMQUNJRXHDTD-XIRDDKMYSA-N 1 3 264.457 3.300 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](COC)C(C)C ZINC000484289528 535579427 /nfs/dbraw/zinc/57/94/27/535579427.db2.gz GECCHNACEGZJQC-YESZJQIVSA-N 1 3 284.488 3.148 20 0 CGADHO CCc1cccc(F)c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459800276 535889913 /nfs/dbraw/zinc/88/99/13/535889913.db2.gz ZLUCHAFPBOIHNG-AWEZNQCLSA-N 1 3 278.415 3.210 20 0 CGADHO CCc1cccc(F)c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459800276 535889917 /nfs/dbraw/zinc/88/99/17/535889917.db2.gz ZLUCHAFPBOIHNG-AWEZNQCLSA-N 1 3 278.415 3.210 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccoc2)C1 ZINC000727467341 571747625 /nfs/dbraw/zinc/74/76/25/571747625.db2.gz SQHSVULFQFQLND-GJZGRUSLSA-N 1 3 264.413 3.127 20 0 CGADHO CN(C)[C@@H](CNc1cc(N)[nH+]cc1Cl)c1ccsc1 ZINC000891727486 618264346 /nfs/dbraw/zinc/26/43/46/618264346.db2.gz BSASLSVNWXOEOG-LBPRGKRZSA-N 1 3 296.827 3.094 20 0 CGADHO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559964 618832937 /nfs/dbraw/zinc/83/29/37/618832937.db2.gz NRKGLXMKIPUWMD-RHSMWYFYSA-N 1 3 290.451 3.049 20 0 CGADHO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559964 618832939 /nfs/dbraw/zinc/83/29/39/618832939.db2.gz NRKGLXMKIPUWMD-RHSMWYFYSA-N 1 3 290.451 3.049 20 0 CGADHO CCCSC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000892944559 618959571 /nfs/dbraw/zinc/95/95/71/618959571.db2.gz RZQFYUHBPVMQHR-CABCVRRESA-N 1 3 272.502 3.228 20 0 CGADHO FC(F)(F)CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925605096 619083209 /nfs/dbraw/zinc/08/32/09/619083209.db2.gz PBNIZZGEPUCLDF-OLZOCXBDSA-N 1 3 278.362 3.087 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000925726037 619183717 /nfs/dbraw/zinc/18/37/17/619183717.db2.gz XNLUERQZXLUKRU-NXOAAHMSSA-N 1 3 288.435 3.012 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925778529 619241149 /nfs/dbraw/zinc/24/11/49/619241149.db2.gz JUVJPUFGVFBQNL-IUCAKERBSA-N 1 3 294.798 3.297 20 0 CGADHO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000317201039 619245696 /nfs/dbraw/zinc/24/56/96/619245696.db2.gz YPVVJJGYCKQNFQ-ZACQAIPSSA-N 1 3 298.434 3.032 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC2(c3cccc(F)c3)CCC2)C12CCC2 ZINC000925830280 619283032 /nfs/dbraw/zinc/28/30/32/619283032.db2.gz GOPVOPCACALTQT-HZPDHXFCSA-N 1 3 288.410 3.107 20 0 CGADHO Fc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000925833523 619285589 /nfs/dbraw/zinc/28/55/89/619285589.db2.gz RBSUJHBXQDIXHG-SJPCQFCGSA-N 1 3 288.410 3.120 20 0 CGADHO C(COC1CCCCC1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250869251 619289863 /nfs/dbraw/zinc/28/98/63/619289863.db2.gz SCLADLPXWHIVTA-KZNAEPCWSA-N 1 3 294.483 3.236 20 0 CGADHO c1ccc([C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C2CC2)cc1 ZINC000925847647 619294213 /nfs/dbraw/zinc/29/42/13/619294213.db2.gz XPWBUSAROFWIEY-KZNAEPCWSA-N 1 3 270.420 3.260 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CCS1 ZINC000925857082 619297547 /nfs/dbraw/zinc/29/75/47/619297547.db2.gz HCKMLLNTTJHJEV-MIGQKNRLSA-N 1 3 282.497 3.028 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cc3c(cccc3O)s2)C1 ZINC000894189804 619408464 /nfs/dbraw/zinc/40/84/64/619408464.db2.gz FBYYYDNMOGNBHK-LBPRGKRZSA-N 1 3 290.432 3.038 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc2ccccc21 ZINC000261783199 619419989 /nfs/dbraw/zinc/41/99/89/619419989.db2.gz PTUYYVRWBWCSLY-SUNYJGFJSA-N 1 3 268.404 3.488 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccc2ccccc21 ZINC000261783199 619419996 /nfs/dbraw/zinc/41/99/96/619419996.db2.gz PTUYYVRWBWCSLY-SUNYJGFJSA-N 1 3 268.404 3.488 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261930335 619484218 /nfs/dbraw/zinc/48/42/18/619484218.db2.gz JMURKNBBXRXSAU-GOEBONIOSA-N 1 3 298.430 3.408 20 0 CGADHO Fc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000262082448 619691558 /nfs/dbraw/zinc/69/15/58/619691558.db2.gz TWFCYTCIQQFPKR-UHFFFAOYSA-N 1 3 282.790 3.055 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)N(C)C ZINC000895292377 619796560 /nfs/dbraw/zinc/79/65/60/619796560.db2.gz FSJOKRFKGUAUGJ-HLLBOEOZSA-N 1 3 275.440 3.038 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)N(C)C ZINC000895292217 619797495 /nfs/dbraw/zinc/79/74/95/619797495.db2.gz NAJPVEJXDTXBBJ-ZOBORPQBSA-N 1 3 266.454 3.170 20 0 CGADHO CCC1(N2CCC2)CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000895822612 619890811 /nfs/dbraw/zinc/89/08/11/619890811.db2.gz OUWJLLTWGYKFSI-OAHLLOKOSA-N 1 3 282.497 3.222 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902126174 621164447 /nfs/dbraw/zinc/16/44/47/621164447.db2.gz GNTBTXHXWFKZTB-UHFFFAOYSA-N 1 3 289.467 3.391 20 0 CGADHO Cc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902477346 621326756 /nfs/dbraw/zinc/32/67/56/621326756.db2.gz SOAJTFSLHTWSNZ-HSFUPAIVSA-N 1 3 270.420 3.114 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)[C@H](C)c1ccc(Cl)cc1 ZINC000902469376 621340422 /nfs/dbraw/zinc/34/04/22/621340422.db2.gz PUEJXSWZKAASND-GRIRQICOSA-N 1 3 278.827 3.315 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902720304 621408504 /nfs/dbraw/zinc/40/85/04/621408504.db2.gz FXZTYVDCZPTTFK-MSOLQXFVSA-N 1 3 296.499 3.293 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902736515 621419709 /nfs/dbraw/zinc/41/97/09/621419709.db2.gz UFEDGVONOVORHJ-QZTJIDSGSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccn1 ZINC000903177939 621614213 /nfs/dbraw/zinc/61/42/13/621614213.db2.gz SEVPNQVHMVLZLN-ZXFUBFMLSA-N 1 3 299.462 3.107 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccn1 ZINC000903177939 621614216 /nfs/dbraw/zinc/61/42/16/621614216.db2.gz SEVPNQVHMVLZLN-ZXFUBFMLSA-N 1 3 299.462 3.107 20 0 CGADHO CC1CCC(N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903381899 621723600 /nfs/dbraw/zinc/72/36/00/621723600.db2.gz AZJPHCKGHNDRSR-BDVYOWHSSA-N 1 3 275.440 3.243 20 0 CGADHO C[C@H](NC/C=C\Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000903443363 621754593 /nfs/dbraw/zinc/75/45/93/621754593.db2.gz GSANMGVKJHRBGC-PRUHKGEBSA-N 1 3 282.815 3.030 20 0 CGADHO N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890128 621823453 /nfs/dbraw/zinc/82/34/53/621823453.db2.gz YNOBXVQUOOBAGO-GJZGRUSLSA-N 1 3 282.378 3.066 20 0 CGADHO N[C@@H](CC(F)F)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000903890128 621823455 /nfs/dbraw/zinc/82/34/55/621823455.db2.gz YNOBXVQUOOBAGO-GJZGRUSLSA-N 1 3 282.378 3.066 20 0 CGADHO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](N)CC(F)F ZINC000903883459 621825875 /nfs/dbraw/zinc/82/58/75/621825875.db2.gz HSHWGGIQSWMLEM-ZDUSSCGKSA-N 1 3 274.330 3.019 20 0 CGADHO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](N)CC(F)F ZINC000903883459 621825877 /nfs/dbraw/zinc/82/58/77/621825877.db2.gz HSHWGGIQSWMLEM-ZDUSSCGKSA-N 1 3 274.330 3.019 20 0 CGADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904325366 621907597 /nfs/dbraw/zinc/90/75/97/621907597.db2.gz XPBFDGHAPANKKK-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904325366 621907600 /nfs/dbraw/zinc/90/76/00/621907600.db2.gz XPBFDGHAPANKKK-NJAFHUGGSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372024 621913845 /nfs/dbraw/zinc/91/38/45/621913845.db2.gz WIGYDYFYUWNUTB-IXDOHACOSA-N 1 3 296.499 3.013 20 0 CGADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372024 621913850 /nfs/dbraw/zinc/91/38/50/621913850.db2.gz WIGYDYFYUWNUTB-IXDOHACOSA-N 1 3 296.499 3.013 20 0 CGADHO C[C@]1(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCCNC1 ZINC000904380830 621916371 /nfs/dbraw/zinc/91/63/71/621916371.db2.gz HRRUWKBJANLTBV-OKYOBFRVSA-N 1 3 284.447 3.112 20 0 CGADHO C[C@]1(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCCNC1 ZINC000904380830 621916376 /nfs/dbraw/zinc/91/63/76/621916376.db2.gz HRRUWKBJANLTBV-OKYOBFRVSA-N 1 3 284.447 3.112 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000922269333 625992079 /nfs/dbraw/zinc/99/20/79/625992079.db2.gz MPMKFHYQWGWOHF-IXDOHACOSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1[C@H](c2ccccc2)CCN1CCC[NH2+]C1CC1 ZINC000923316577 626144704 /nfs/dbraw/zinc/14/47/04/626144704.db2.gz KRNJIAOMYDNGMD-RHSMWYFYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCNC1CC1 ZINC000923316577 626144707 /nfs/dbraw/zinc/14/47/07/626144707.db2.gz KRNJIAOMYDNGMD-RHSMWYFYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCNC1CC1 ZINC000923316577 626144712 /nfs/dbraw/zinc/14/47/12/626144712.db2.gz KRNJIAOMYDNGMD-RHSMWYFYSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](CC[NH3+])C1 ZINC000923482911 626157140 /nfs/dbraw/zinc/15/71/40/626157140.db2.gz IRZZZGPLLULSKA-UONOGXRCSA-N 1 3 285.391 3.073 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000765490879 627253298 /nfs/dbraw/zinc/25/32/98/627253298.db2.gz YPWFOPLUEXXZBJ-AWEZNQCLSA-N 1 3 299.418 3.386 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000765490879 627253302 /nfs/dbraw/zinc/25/33/02/627253302.db2.gz YPWFOPLUEXXZBJ-AWEZNQCLSA-N 1 3 299.418 3.386 20 0 CGADHO CC[NH+](CC)[C@@H]1CCN(c2ccnc3cc(OC)ccc32)C1 ZINC000765517036 627256007 /nfs/dbraw/zinc/25/60/07/627256007.db2.gz VDSWOUMZWLRGHP-CQSZACIVSA-N 1 3 299.418 3.164 20 0 CGADHO C[C@H]1C[N@H+](CC[C@H]2CCCCN2C)Cc2ccccc21 ZINC000779460498 628414519 /nfs/dbraw/zinc/41/45/19/628414519.db2.gz QIRHGHJAUOVFBG-DOTOQJQBSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@H]1C[N@@H+](CC[C@H]2CCCCN2C)Cc2ccccc21 ZINC000779460498 628414520 /nfs/dbraw/zinc/41/45/20/628414520.db2.gz QIRHGHJAUOVFBG-DOTOQJQBSA-N 1 3 272.436 3.480 20 0 CGADHO CC(C)CN1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000786939499 628971515 /nfs/dbraw/zinc/97/15/15/628971515.db2.gz FZBUZRNWVDQOIQ-UHFFFAOYSA-N 1 3 296.405 3.217 20 0 CGADHO CC[C@](C)(NCC1CC[NH+](C)CC1)c1nc(C)cs1 ZINC000788486390 629058848 /nfs/dbraw/zinc/05/88/48/629058848.db2.gz VFHCUQZFGMCHBO-HNNXBMFYSA-N 1 3 281.469 3.008 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000790055714 629181195 /nfs/dbraw/zinc/18/11/95/629181195.db2.gz QQJULKPSJJLBKL-RDJZCZTQSA-N 1 3 272.436 3.038 20 0 CGADHO CN1CC[C@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334712 629661119 /nfs/dbraw/zinc/66/11/19/629661119.db2.gz DTXFXKRKFRMHJZ-SJORKVTESA-N 1 3 290.838 3.355 20 0 CGADHO CN1CC[C@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)ccc43)C2)C1 ZINC000795334712 629661123 /nfs/dbraw/zinc/66/11/23/629661123.db2.gz DTXFXKRKFRMHJZ-SJORKVTESA-N 1 3 290.838 3.355 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc(F)cc(OCC)c2)CC1 ZINC000865404102 630105554 /nfs/dbraw/zinc/10/55/54/630105554.db2.gz CCUAQVKBRHDUCC-UHFFFAOYSA-N 1 3 294.414 3.188 20 0 CGADHO CCc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc1 ZINC000817929559 632235984 /nfs/dbraw/zinc/23/59/84/632235984.db2.gz PTTRIPVADKABKT-IPMKNSEASA-N 1 3 296.414 3.017 20 0 CGADHO C[C@@H](NCC[C@@]1(C)CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000817936152 632237706 /nfs/dbraw/zinc/23/77/06/632237706.db2.gz HATZIIHJIKYNIW-UTUOFQBUSA-N 1 3 279.255 3.081 20 0 CGADHO COc1ccsc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817950762 632246562 /nfs/dbraw/zinc/24/65/62/632246562.db2.gz ZSRZFJKCEHCXGM-GFCCVEGCSA-N 1 3 290.432 3.109 20 0 CGADHO CCCCCC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000818984389 632359638 /nfs/dbraw/zinc/35/96/38/632359638.db2.gz GKBWYEGFZSRGSU-SJORKVTESA-N 1 3 284.488 3.028 20 0 CGADHO CCCCCC[C@H](O)CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000818984389 632359644 /nfs/dbraw/zinc/35/96/44/632359644.db2.gz GKBWYEGFZSRGSU-SJORKVTESA-N 1 3 284.488 3.028 20 0 CGADHO CCCCCC[C@H](O)CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000818984389 632359650 /nfs/dbraw/zinc/35/96/50/632359650.db2.gz GKBWYEGFZSRGSU-SJORKVTESA-N 1 3 284.488 3.028 20 0 CGADHO C[C@H](NCc1ccccc1CO)c1cccc(C[NH+](C)C)c1 ZINC000820807183 632680191 /nfs/dbraw/zinc/68/01/91/632680191.db2.gz BRIMTOJHJPSXQQ-HNNXBMFYSA-N 1 3 298.430 3.091 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCc1cncc2ccccc21)CN(C)C ZINC000866365987 633104067 /nfs/dbraw/zinc/10/40/67/633104067.db2.gz WJERGLYDROVZKR-HZPDHXFCSA-N 1 3 299.462 3.343 20 0 CGADHO CCC[C@@H](CNC1CC[NH+](CC2CCCCC2)CC1)OC ZINC000824543200 633256297 /nfs/dbraw/zinc/25/62/97/633256297.db2.gz GNQVQWXNKNFKKO-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO CCC[NH+]1CCC(NC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824774846 633287634 /nfs/dbraw/zinc/28/76/34/633287634.db2.gz WIOKBIOSZLDTNX-LBPRGKRZSA-N 1 3 279.255 3.034 20 0 CGADHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc([O-])c2F)CC1 ZINC000872034288 633953363 /nfs/dbraw/zinc/95/33/63/633953363.db2.gz NLBYPZHQPQVREQ-CYBMUJFWSA-N 1 3 294.414 3.304 20 0 CGADHO Cc1ccsc1C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000873223450 634291648 /nfs/dbraw/zinc/29/16/48/634291648.db2.gz NPXJSIYWFBMHEN-HNNXBMFYSA-N 1 3 266.454 3.253 20 0 CGADHO Cc1ccsc1C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000873223450 634291660 /nfs/dbraw/zinc/29/16/60/634291660.db2.gz NPXJSIYWFBMHEN-HNNXBMFYSA-N 1 3 266.454 3.253 20 0 CGADHO CCn1nc(CN(C)CCCCCC[NH3+])c2ccccc21 ZINC000873231551 634293846 /nfs/dbraw/zinc/29/38/46/634293846.db2.gz NZFYUOBPKYGBIM-UHFFFAOYSA-N 1 3 288.439 3.007 20 0 CGADHO [NH3+]CCc1ccc(CNCc2cc(Cl)cs2)cc1 ZINC000841032984 635110059 /nfs/dbraw/zinc/11/00/59/635110059.db2.gz HZVKGZPVSWEAHJ-UHFFFAOYSA-N 1 3 280.824 3.193 20 0 CGADHO C1CC2(C1)C[C@H]([NH2+]C1CCCCCCC1)CCN2 ZINC000841090476 635121258 /nfs/dbraw/zinc/12/12/58/635121258.db2.gz ZCPFXNDHUCUKIF-OAHLLOKOSA-N 1 3 250.430 3.364 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795047 635204413 /nfs/dbraw/zinc/20/44/13/635204413.db2.gz WWZMGEFKMMSQIN-SJORKVTESA-N 1 3 294.483 3.142 20 0 CGADHO C[NH+]1CCC2(CCN(C/C(Cl)=C\Cl)CC2)CC1 ZINC000879250198 635736397 /nfs/dbraw/zinc/73/63/97/635736397.db2.gz PKFUIDDCDDLIGE-ZRDIBKRKSA-N 1 3 277.239 3.113 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000988 635895764 /nfs/dbraw/zinc/89/57/64/635895764.db2.gz ORKRMNGRBDXGJR-OLZOCXBDSA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000988 635895768 /nfs/dbraw/zinc/89/57/68/635895768.db2.gz ORKRMNGRBDXGJR-OLZOCXBDSA-N 1 3 278.362 3.135 20 0 CGADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883441164 636758246 /nfs/dbraw/zinc/75/82/46/636758246.db2.gz IMLSLJHHYKAGRZ-NXOAAHMSSA-N 1 3 288.435 3.012 20 0 CGADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883441164 636758254 /nfs/dbraw/zinc/75/82/54/636758254.db2.gz IMLSLJHHYKAGRZ-NXOAAHMSSA-N 1 3 288.435 3.012 20 0 CGADHO C1=C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000850509675 637096222 /nfs/dbraw/zinc/09/62/22/637096222.db2.gz PKXAOBBTWBUZIP-MKXGPGLRSA-N 1 3 282.431 3.490 20 0 CGADHO C1=C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509675 637096224 /nfs/dbraw/zinc/09/62/24/637096224.db2.gz PKXAOBBTWBUZIP-MKXGPGLRSA-N 1 3 282.431 3.490 20 0 CGADHO C1=C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000850509677 637096276 /nfs/dbraw/zinc/09/62/76/637096276.db2.gz PKXAOBBTWBUZIP-OKYOBFRVSA-N 1 3 282.431 3.490 20 0 CGADHO C1=C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000850509677 637096279 /nfs/dbraw/zinc/09/62/79/637096279.db2.gz PKXAOBBTWBUZIP-OKYOBFRVSA-N 1 3 282.431 3.490 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(CF)cc1)C2 ZINC000852104650 637597405 /nfs/dbraw/zinc/59/74/05/637597405.db2.gz DTPDGGNGPDQMHK-KRWDZBQOSA-N 1 3 276.399 3.074 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(CF)cc1)C2 ZINC000852104650 637597411 /nfs/dbraw/zinc/59/74/11/637597411.db2.gz DTPDGGNGPDQMHK-KRWDZBQOSA-N 1 3 276.399 3.074 20 0 CGADHO CC[C@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134457 637755827 /nfs/dbraw/zinc/75/58/27/637755827.db2.gz KAKQDTMFMABDRY-UONOGXRCSA-N 1 3 297.393 3.274 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222543 638026330 /nfs/dbraw/zinc/02/63/30/638026330.db2.gz ILRGMHXAHDIIBY-BSDSXHPESA-N 1 3 272.436 3.156 20 0 CGADHO CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc2c(c1)CCCO2 ZINC000854224364 638026602 /nfs/dbraw/zinc/02/66/02/638026602.db2.gz VOZOUVNAPXCSSI-INIZCTEOSA-N 1 3 288.435 3.324 20 0 CGADHO Fc1ccc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cc1 ZINC000925488545 638119610 /nfs/dbraw/zinc/11/96/10/638119610.db2.gz KNIFOZDNMSOQGL-QZTJIDSGSA-N 1 3 290.426 3.126 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccns1 ZINC000924684749 638388916 /nfs/dbraw/zinc/38/89/16/638388916.db2.gz FPBMVCPRMKLBOG-UONOGXRCSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccns1 ZINC000924684749 638388919 /nfs/dbraw/zinc/38/89/19/638388919.db2.gz FPBMVCPRMKLBOG-UONOGXRCSA-N 1 3 281.469 3.306 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H](c2cccs2)C2CC2)C12CCC2 ZINC000925513467 638515580 /nfs/dbraw/zinc/51/55/80/638515580.db2.gz GSWLDISEFHPOHR-HZSPNIEDSA-N 1 3 262.422 3.059 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925616058 638545241 /nfs/dbraw/zinc/54/52/41/638545241.db2.gz QAXPNHSMLJITSJ-RFGFWPKPSA-N 1 3 296.480 3.056 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1nccs1 ZINC000925648384 638556915 /nfs/dbraw/zinc/55/69/15/638556915.db2.gz UGPQOIKOIBREJB-SNPRPXQTSA-N 1 3 293.480 3.005 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)c1nccs1 ZINC000925648384 638556921 /nfs/dbraw/zinc/55/69/21/638556921.db2.gz UGPQOIKOIBREJB-SNPRPXQTSA-N 1 3 293.480 3.005 20 0 CGADHO C[C@H]([NH3+])[C@H](NC1CCC2(CC2)CC1)c1ccccc1 ZINC000925652266 638557895 /nfs/dbraw/zinc/55/78/95/638557895.db2.gz PGBONXOSIATVMP-BBRMVZONSA-N 1 3 258.409 3.387 20 0 CGADHO COc1c(C)cc([C@H](C)NCCC(C)(C)[NH3+])cc1Cl ZINC000925739618 638591476 /nfs/dbraw/zinc/59/14/76/638591476.db2.gz ZYPTVKPJEUNJDC-NSHDSACASA-N 1 3 284.831 3.435 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000925786769 638613554 /nfs/dbraw/zinc/61/35/54/638613554.db2.gz UMKPEFSOAUIWLG-KZVDOYCCSA-N 1 3 264.438 3.132 20 0 CGADHO COc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000925829246 638625240 /nfs/dbraw/zinc/62/52/40/638625240.db2.gz NNUIBKMFNWFWCJ-DZKIICNBSA-N 1 3 276.424 3.042 20 0 CGADHO CC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccs1 ZINC000925839781 638628917 /nfs/dbraw/zinc/62/89/17/638628917.db2.gz DVUUXUGIPPLWRQ-NWANDNLSSA-N 1 3 264.438 3.321 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2CCC[C@H](C)O2)CC1 ZINC000926704307 638801538 /nfs/dbraw/zinc/80/15/38/638801538.db2.gz JHKLHKOYCSZIAH-RDJZCZTQSA-N 1 3 282.472 3.044 20 0 CGADHO C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000926736859 638805197 /nfs/dbraw/zinc/80/51/97/638805197.db2.gz BPPQPGBHXRYLJN-HPBDAGMYSA-N 1 3 274.452 3.053 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CC3(CCC3)CO2)CC1 ZINC000926871059 638819688 /nfs/dbraw/zinc/81/96/88/638819688.db2.gz JOSGSFKDWZXOEN-QGZVFWFLSA-N 1 3 294.483 3.046 20 0 CGADHO CCc1onc(C)c1CN1CCC(C[NH+](CC)CC)CC1 ZINC000929278427 638914638 /nfs/dbraw/zinc/91/46/38/638914638.db2.gz YNESGXHQGZLFPH-UHFFFAOYSA-N 1 3 293.455 3.099 20 0 CGADHO FC1(F)[C@@H]2C[C@@H](CN3CC[C@H](C[NH+]4CCCCC4)C3)C[C@@H]21 ZINC000929719314 638944600 /nfs/dbraw/zinc/94/46/00/638944600.db2.gz NJOBQWHKKMSBNT-FPCVCCKLSA-N 1 3 298.421 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792265 638952263 /nfs/dbraw/zinc/95/22/63/638952263.db2.gz YQBLVPHTFMEMHX-MRXNPFEDSA-N 1 3 264.457 3.230 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC000929792265 638952265 /nfs/dbraw/zinc/95/22/65/638952265.db2.gz YQBLVPHTFMEMHX-MRXNPFEDSA-N 1 3 264.457 3.230 20 0 CGADHO CCCCC[C@H](O)CNC1CC[NH+](CC2CCCC2)CC1 ZINC001253557377 806254992 /nfs/dbraw/zinc/25/49/92/806254992.db2.gz ACCHZLXAOWXLNM-SFHVURJKSA-N 1 3 296.499 3.172 20 0 CGADHO CCCCC[C@H](O)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001253557377 806254998 /nfs/dbraw/zinc/25/49/98/806254998.db2.gz ACCHZLXAOWXLNM-SFHVURJKSA-N 1 3 296.499 3.172 20 0 CGADHO CCN(Cc1cccc(OC)c1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525452 806438330 /nfs/dbraw/zinc/43/83/30/806438330.db2.gz IXZKUYSMIDKRKV-MRXNPFEDSA-N 1 3 276.424 3.001 20 0 CGADHO CCN(Cc1cccc(OC)c1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525452 806438334 /nfs/dbraw/zinc/43/83/34/806438334.db2.gz IXZKUYSMIDKRKV-MRXNPFEDSA-N 1 3 276.424 3.001 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530051 806442644 /nfs/dbraw/zinc/44/26/44/806442644.db2.gz UFAIJLKINNXYOU-MRXNPFEDSA-N 1 3 272.436 3.264 20 0 CGADHO C[N@H+]1CCC[C@@H](N2Cc3ccccc3C(C)(C)C2)CC1 ZINC001254530051 806442647 /nfs/dbraw/zinc/44/26/47/806442647.db2.gz UFAIJLKINNXYOU-MRXNPFEDSA-N 1 3 272.436 3.264 20 0 CGADHO CN([C@H]1CCSC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001255296698 806599691 /nfs/dbraw/zinc/59/96/91/806599691.db2.gz VEUZULBFUGNTLW-INIZCTEOSA-N 1 3 282.497 3.221 20 0 CGADHO C[N@H+]([C@H]1CCSC1)C1CCN(C2CCCCC2)CC1 ZINC001255296698 806599699 /nfs/dbraw/zinc/59/96/99/806599699.db2.gz VEUZULBFUGNTLW-INIZCTEOSA-N 1 3 282.497 3.221 20 0 CGADHO C[N@@H+]([C@H]1CCSC1)C1CCN(C2CCCCC2)CC1 ZINC001255296698 806599707 /nfs/dbraw/zinc/59/97/07/806599707.db2.gz VEUZULBFUGNTLW-INIZCTEOSA-N 1 3 282.497 3.221 20 0 CGADHO CCN(CC)Cc1cncc(NC(=[NH2+])C(C)(C)C)c1 ZINC001162664529 806643668 /nfs/dbraw/zinc/64/36/68/806643668.db2.gz JXJVUDOLLMHVPE-UHFFFAOYSA-N 1 3 262.401 3.359 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H]1CC=CCC1 ZINC000218608681 799135479 /nfs/dbraw/zinc/13/54/79/799135479.db2.gz OYYURBNGNNYOQQ-JKSUJKDBSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCC3(C2)CCCCC3)C[C@@H](C)N1 ZINC000381112916 799372485 /nfs/dbraw/zinc/37/24/85/799372485.db2.gz VAYBCRLSJILUGI-ZIAGYGMSSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CC([N@H+]2CCC3(C2)CCCCC3)C[C@@H](C)N1 ZINC000381112916 799372492 /nfs/dbraw/zinc/37/24/92/799372492.db2.gz VAYBCRLSJILUGI-ZIAGYGMSSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687964768 799743448 /nfs/dbraw/zinc/74/34/48/799743448.db2.gz XWBUMGONAGAHGK-ZDUSSCGKSA-N 1 3 264.438 3.158 20 0 CGADHO CC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687964768 799743454 /nfs/dbraw/zinc/74/34/54/799743454.db2.gz XWBUMGONAGAHGK-ZDUSSCGKSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1(Cl)CC1 ZINC000695634705 799829964 /nfs/dbraw/zinc/82/99/64/799829964.db2.gz BGIRCOHNGVIJAR-OLZOCXBDSA-N 1 3 258.837 3.000 20 0 CGADHO CC(C)(C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C(C)(F)F ZINC000696597141 799840741 /nfs/dbraw/zinc/84/07/41/799840741.db2.gz JLDYSWVXJPBHNK-CHWSQXEVSA-N 1 3 268.351 3.402 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001255940134 806789411 /nfs/dbraw/zinc/78/94/11/806789411.db2.gz QBAMWEDBCPUEOK-INIZCTEOSA-N 1 3 262.441 3.248 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)COc1ccccc1C ZINC001255942843 806791743 /nfs/dbraw/zinc/79/17/43/806791743.db2.gz BPIWQNKXBOWBLL-DLBZAZTESA-N 1 3 292.467 3.472 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)COc1ccccc1C ZINC001255942848 806791788 /nfs/dbraw/zinc/79/17/88/806791788.db2.gz BPIWQNKXBOWBLL-IAGOWNOFSA-N 1 3 292.467 3.472 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCCc1cc(C)ccn1 ZINC001255947804 806792858 /nfs/dbraw/zinc/79/28/58/806792858.db2.gz WVNHGFJVCPHJDY-INIZCTEOSA-N 1 3 277.456 3.033 20 0 CGADHO CCCC[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000708544226 799992776 /nfs/dbraw/zinc/99/27/76/799992776.db2.gz PINGJNNTRNPLIL-RDJZCZTQSA-N 1 3 260.425 3.144 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCC1CCC(OC)CC1 ZINC001255950231 806794129 /nfs/dbraw/zinc/79/41/29/806794129.db2.gz FTAVMSCZILCMHW-KLAILNCOSA-N 1 3 284.488 3.292 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NC1(Cc2ccccn2)CCC1 ZINC001255951970 806795030 /nfs/dbraw/zinc/79/50/30/806795030.db2.gz LOGJCBDCZMZPMT-INIZCTEOSA-N 1 3 289.467 3.257 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1(Cc2ccccn2)CCC1 ZINC001255951970 806795035 /nfs/dbraw/zinc/79/50/35/806795035.db2.gz LOGJCBDCZMZPMT-INIZCTEOSA-N 1 3 289.467 3.257 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc2C1 ZINC001255952712 806796552 /nfs/dbraw/zinc/79/65/52/806796552.db2.gz GUHHWLDYZXLMGG-KSSFIOAISA-N 1 3 292.442 3.393 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)(C)Cc1ccncc1 ZINC001255953059 806796663 /nfs/dbraw/zinc/79/66/63/806796663.db2.gz IEOFDPFXPUSVLX-INIZCTEOSA-N 1 3 291.483 3.360 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000716056234 800163403 /nfs/dbraw/zinc/16/34/03/800163403.db2.gz AALJXPWVNJDJCH-WNOJMDLFSA-N 1 3 288.460 3.395 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716720976 800178125 /nfs/dbraw/zinc/17/81/25/800178125.db2.gz ZDMHTRKGAJWCDY-HYEGPXJVSA-N 1 3 284.447 3.428 20 0 CGADHO CC(C)CN1CCC([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000720899849 800270644 /nfs/dbraw/zinc/27/06/44/800270644.db2.gz JUGFFHWFMIOZAC-UHFFFAOYSA-N 1 3 274.399 3.132 20 0 CGADHO [NH3+]C[C@H]1CN(CCC2CCCCCC2)C[C@@H]1C(F)(F)F ZINC000720888857 800271238 /nfs/dbraw/zinc/27/12/38/800271238.db2.gz NNSWCICKAZHSMO-KBPBESRZSA-N 1 3 292.389 3.416 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723574442 800329576 /nfs/dbraw/zinc/32/95/76/800329576.db2.gz RBOMERWQJXZEES-LSDHHAIUSA-N 1 3 250.430 3.031 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723563945 800329917 /nfs/dbraw/zinc/32/99/17/800329917.db2.gz BQACMUXEYAXBAI-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723574440 800330351 /nfs/dbraw/zinc/33/03/51/800330351.db2.gz RBOMERWQJXZEES-HUUCEWRRSA-N 1 3 250.430 3.031 20 0 CGADHO CCCCC[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681957 806947375 /nfs/dbraw/zinc/94/73/75/806947375.db2.gz FHDAYVJDHDBGHJ-KLAILNCOSA-N 1 3 282.472 3.188 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC001116289709 802326838 /nfs/dbraw/zinc/32/68/38/802326838.db2.gz ZFGNRJGTFOWKFJ-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO FC(F)(F)CC1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[NH2+]C1 ZINC001119683827 802691298 /nfs/dbraw/zinc/69/12/98/802691298.db2.gz HUSPVNWCJWMOLG-RLAWYHOSSA-N 1 3 290.373 3.181 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC001200821073 811748661 /nfs/dbraw/zinc/74/86/61/811748661.db2.gz LTVBRGNPDSWHIT-CGFBPQRUSA-N 1 3 294.389 3.440 20 0 CGADHO CCc1ccc(CN2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205280902 812928614 /nfs/dbraw/zinc/92/86/14/812928614.db2.gz LKGFYLOVMCUXAI-CQSZACIVSA-N 1 3 252.427 3.014 20 0 CGADHO Cc1csc(CN2CCC(C[NH+](C)C)CC2)c1Cl ZINC001137291161 803710416 /nfs/dbraw/zinc/71/04/16/803710416.db2.gz GVVGRXWMUNDIJF-UHFFFAOYSA-N 1 3 286.872 3.484 20 0 CGADHO CN(C)c1ccnc(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001245523573 803789050 /nfs/dbraw/zinc/78/90/50/803789050.db2.gz OJXUEQCXEDASHB-UHFFFAOYSA-N 1 3 281.403 3.282 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccccc2F)C[C@H](CC)[NH2+]1 ZINC001246074732 804113904 /nfs/dbraw/zinc/11/39/04/804113904.db2.gz PZQAULMKCUBALH-ZSHCYNCHSA-N 1 3 278.415 3.267 20 0 CGADHO C1CCC2(C1)CCC(N[C@H]1CCCC[NH2+]C1)CC2 ZINC001246091273 804122530 /nfs/dbraw/zinc/12/25/30/804122530.db2.gz ODZWDKHDNZAJKY-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC001246092503 804125811 /nfs/dbraw/zinc/12/58/11/804125811.db2.gz CZWLQJWKVFFPMM-ZENOOKHLSA-N 1 3 296.455 3.284 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC001246099037 804132052 /nfs/dbraw/zinc/13/20/52/804132052.db2.gz LCOAAIPYBWDYRO-HRCADAONSA-N 1 3 292.492 3.311 20 0 CGADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)NCC(C)(C)[NH3+] ZINC001246099270 804132075 /nfs/dbraw/zinc/13/20/75/804132075.db2.gz GBXBYEVZSVSZQK-VIFPVBQESA-N 1 3 290.785 3.266 20 0 CGADHO CCCC1CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246102780 804135806 /nfs/dbraw/zinc/13/58/06/804135806.db2.gz FMUWQJKZPVCVKW-LBDPXKHJSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246110865 804142587 /nfs/dbraw/zinc/14/25/87/804142587.db2.gz MSBDRLUNDLIDMF-XHSDSOJGSA-N 1 3 292.492 3.453 20 0 CGADHO CCCCCC[C@@H](CCC)[NH2+][C@H]1CNCC12CC2 ZINC001246128912 804156007 /nfs/dbraw/zinc/15/60/07/804156007.db2.gz FPIBXZPOFRUSOO-CABCVRRESA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@H]1CC(NCCc2ccc(C)s2)C[C@H](CC)[NH2+]1 ZINC001246168225 804182567 /nfs/dbraw/zinc/18/25/67/804182567.db2.gz IKBVSPGIKFNTED-KBPBESRZSA-N 1 3 280.481 3.498 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1 ZINC001246172978 804187251 /nfs/dbraw/zinc/18/72/51/804187251.db2.gz FNONPXVBCNDBRI-CVEARBPZSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@@H]1C[C@@H](NCCCOc2cccc(Cl)c2)CC[NH2+]1 ZINC001246176678 804190662 /nfs/dbraw/zinc/19/06/62/804190662.db2.gz QRPUTOIPNCGMEL-CABCVRRESA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(Cl)c2)CCN1 ZINC001246176678 804190666 /nfs/dbraw/zinc/19/06/66/804190666.db2.gz QRPUTOIPNCGMEL-CABCVRRESA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@@H]1C[C@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246177292 804191306 /nfs/dbraw/zinc/19/13/06/804191306.db2.gz IHPLIQCXAMRCCY-HUUCEWRRSA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CCCOc2ccc(Cl)cc2)CCN1 ZINC001246177292 804191307 /nfs/dbraw/zinc/19/13/07/804191307.db2.gz IHPLIQCXAMRCCY-HUUCEWRRSA-N 1 3 296.842 3.229 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246210942 804209023 /nfs/dbraw/zinc/20/90/23/804209023.db2.gz PVUQSKDPTQBWDT-OAGGEKHMSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC001246213064 804209785 /nfs/dbraw/zinc/20/97/85/804209785.db2.gz XLUGUKGJXYDTAO-ZOWXZIJZSA-N 1 3 298.883 3.408 20 0 CGADHO CCCC[C@H](CC)COCCC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246217105 804211966 /nfs/dbraw/zinc/21/19/66/804211966.db2.gz PUQVJFQJQXCGCE-IXDOHACOSA-N 1 3 284.488 3.340 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246220661 804215273 /nfs/dbraw/zinc/21/52/73/804215273.db2.gz LJVDYXUNOHVRQG-RNKJKDHYSA-N 1 3 299.245 3.122 20 0 CGADHO C[C@H]1CC([NH2+]CCC2CCCCCC2)C[C@H](C)N1 ZINC001246236970 804228552 /nfs/dbraw/zinc/22/85/52/804228552.db2.gz DYSNTQGDVIFXRF-KBPBESRZSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1CC[C@H](NCCC2CCCCCCC2)C[NH2+]1 ZINC001246240750 804231848 /nfs/dbraw/zinc/23/18/48/804231848.db2.gz WTOGAXGKYKDDAV-ZBFHGGJFSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H](Cc1ccccc1Cl)NCC[C@@H]1CCCC[NH2+]1 ZINC001246245184 804234703 /nfs/dbraw/zinc/23/47/03/804234703.db2.gz NOXYXMJSFUVNRD-HIFRSBDPSA-N 1 3 280.843 3.393 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246274286 804250878 /nfs/dbraw/zinc/25/08/78/804250878.db2.gz YRZPISIYLUDILM-FLXSYLCISA-N 1 3 272.436 3.441 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(F)c(F)c2)C[C@H](CC)[NH2+]1 ZINC001246277502 804253700 /nfs/dbraw/zinc/25/37/00/804253700.db2.gz ICDNGQXYJFUBSD-FICVDOATSA-N 1 3 296.405 3.406 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)NCC1([NH3+])CCCCC1 ZINC001246280963 804256289 /nfs/dbraw/zinc/25/62/89/804256289.db2.gz XXUWOQPHJCJQFC-ZDUSSCGKSA-N 1 3 264.388 3.008 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246304743 804270432 /nfs/dbraw/zinc/27/04/32/804270432.db2.gz BFIVAKRCJJFXHQ-CQDKDKBSSA-N 1 3 299.245 3.320 20 0 CGADHO CC[C@@H](C[NH3+])N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246320619 804278395 /nfs/dbraw/zinc/27/83/95/804278395.db2.gz ZLTBUDUTMZQUOE-SKDRFNHKSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@@H]1CC(NCCc2ccc(F)cc2F)C[C@@H](CC)[NH2+]1 ZINC001246321087 804281104 /nfs/dbraw/zinc/28/11/04/804281104.db2.gz BQRJUXOIRSGKFU-HUUCEWRRSA-N 1 3 296.405 3.406 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246333442 804287486 /nfs/dbraw/zinc/28/74/86/804287486.db2.gz QLGPIFNLYYLDJP-DLBZAZTESA-N 1 3 286.463 3.475 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccccc2)C[C@H](C)N1 ZINC001246341769 804293787 /nfs/dbraw/zinc/29/37/87/804293787.db2.gz MIEBPWZMBXCROI-SCAQPMJSSA-N 1 3 260.425 3.128 20 0 CGADHO CC(C)(CCN)[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246366018 804306507 /nfs/dbraw/zinc/30/65/07/804306507.db2.gz WIWFNCWPPUNBMK-HOTGVXAUSA-N 1 3 260.425 3.430 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCNCC1(C)C ZINC001246369917 804308616 /nfs/dbraw/zinc/30/86/16/804308616.db2.gz DNDGOZAMMAODTR-SOUVJXGZSA-N 1 3 254.462 3.425 20 0 CGADHO CC[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(C)cc1C ZINC001246375756 804309711 /nfs/dbraw/zinc/30/97/11/804309711.db2.gz KOKIZFYIJWKPIS-HLLBOEOZSA-N 1 3 260.425 3.485 20 0 CGADHO CCC[C@@H](CC)[NH2+]C1(c2ccccc2OC)CCNCC1 ZINC001246375700 804310668 /nfs/dbraw/zinc/31/06/68/804310668.db2.gz JCSFVWLCFTXTKW-OAHLLOKOSA-N 1 3 290.451 3.442 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246378654 804311377 /nfs/dbraw/zinc/31/13/77/804311377.db2.gz YDGUUIIUAPRPEE-BBRMVZONSA-N 1 3 292.854 3.175 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246378688 804311945 /nfs/dbraw/zinc/31/19/45/804311945.db2.gz YDGUUIIUAPRPEE-XJKSGUPXSA-N 1 3 292.854 3.175 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246383416 804312834 /nfs/dbraw/zinc/31/28/34/804312834.db2.gz JKFSTHODJZIRKX-CZUORRHYSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCNCC2)C1 ZINC001246381329 804314234 /nfs/dbraw/zinc/31/42/34/804314234.db2.gz PEEVHULQAMWUNX-GOEBONIOSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246380123 804314255 /nfs/dbraw/zinc/31/42/55/804314255.db2.gz FJIQEZYMGHWHKC-AWEZNQCLSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1ccccc1CC1(C[NH2+]C2C[C@@H](C)N[C@H](C)C2)CC1 ZINC001246383326 804314396 /nfs/dbraw/zinc/31/43/96/804314396.db2.gz HURAFUILMJKQOV-HZPDHXFCSA-N 1 3 286.463 3.436 20 0 CGADHO C[C@@H]1CC[C@H](NCCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246413228 804325531 /nfs/dbraw/zinc/32/55/31/804325531.db2.gz OOWIZDNBZIVAIY-CJNGLKHVSA-N 1 3 280.843 3.393 20 0 CGADHO CCCC1CCC([NH2+]C2(CC)CCNCC2)CC1 ZINC001246423652 804327734 /nfs/dbraw/zinc/32/77/34/804327734.db2.gz NUSOHYHHRTXPQL-UHFFFAOYSA-N 1 3 252.446 3.467 20 0 CGADHO CC[C@@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444600 804334815 /nfs/dbraw/zinc/33/48/15/804334815.db2.gz AILZTZZOKAOPGY-ZBFHGGJFSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246448424 804335743 /nfs/dbraw/zinc/33/57/43/804335743.db2.gz UJKWLFMTJVPLOD-ZBFHGGJFSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC12CNC2 ZINC001246453939 804336238 /nfs/dbraw/zinc/33/62/38/804336238.db2.gz YKFPKQFRGPFKNS-HZMBPMFUSA-N 1 3 299.245 3.266 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([NH2+]C3(Cc4ccccc4)CCNCC3)C[C@@H]21 ZINC001246455180 804338011 /nfs/dbraw/zinc/33/80/11/804338011.db2.gz HJYCJXJPWPVDHC-BCDXTJNWSA-N 1 3 298.474 3.376 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246467661 804346078 /nfs/dbraw/zinc/34/60/78/804346078.db2.gz ZMKVLRCFAFVQRN-TWMKSMIVSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246467661 804346088 /nfs/dbraw/zinc/34/60/88/804346088.db2.gz ZMKVLRCFAFVQRN-TWMKSMIVSA-N 1 3 258.409 3.182 20 0 CGADHO CCCCC(CCCC)[NH2+][C@H]1CCNCC12CC2 ZINC001246472667 804349760 /nfs/dbraw/zinc/34/97/60/804349760.db2.gz HYIOZLYNPQBHRI-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO CCC(C)(C)C1CCC(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246473860 804350182 /nfs/dbraw/zinc/35/01/82/804350182.db2.gz KXIKMDARVDGHQC-BFHKSVSOSA-N 1 3 276.468 3.345 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246473680 804351402 /nfs/dbraw/zinc/35/14/02/804351402.db2.gz MPIOCEARYFIMPF-ZWKOTPCHSA-N 1 3 286.463 3.376 20 0 CGADHO CCCCC[C@H](CCC)[NH2+][C@@H]1CCNCC12CC2 ZINC001246473326 804351510 /nfs/dbraw/zinc/35/15/10/804351510.db2.gz KPYTZMQRILBLFT-LSDHHAIUSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478038 804353923 /nfs/dbraw/zinc/35/39/23/804353923.db2.gz MOOJUTFIIXMYGM-GLQYFDAESA-N 1 3 266.816 3.131 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H](C2CCC2)C2CNC2)CC(C)(C)C1 ZINC001246513859 804369079 /nfs/dbraw/zinc/36/90/79/804369079.db2.gz FLKGIOBNEJKASA-WQVCFCJDSA-N 1 3 264.457 3.179 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246518881 804370849 /nfs/dbraw/zinc/37/08/49/804370849.db2.gz QBHXXGLJYCCNAY-MOPGFXCFSA-N 1 3 286.463 3.376 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246517537 804372461 /nfs/dbraw/zinc/37/24/61/804372461.db2.gz MOBUGHCWQKSOEQ-HZPDHXFCSA-N 1 3 254.462 3.425 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C(C)C)C2CNC2)cc1 ZINC001246519557 804373405 /nfs/dbraw/zinc/37/34/05/804373405.db2.gz SHJRJPHAQUTYKK-CRAIPNDOSA-N 1 3 274.452 3.150 20 0 CGADHO C[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521230 804375288 /nfs/dbraw/zinc/37/52/88/804375288.db2.gz YHXHADOSRDQKLD-HOCLYGCPSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C(C)(C)C)CCN1 ZINC001246521230 804375296 /nfs/dbraw/zinc/37/52/96/804375296.db2.gz YHXHADOSRDQKLD-HOCLYGCPSA-N 1 3 260.425 3.428 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCc2cccc(Cl)c2C1)C1CNC1 ZINC001246521032 804376574 /nfs/dbraw/zinc/37/65/74/804376574.db2.gz YJEVCSMRJRKWMR-YOEHRIQHSA-N 1 3 292.854 3.031 20 0 CGADHO C[C@H]1CN([C@H]2CC[NH2+]C3(CCC3)C2)Cc2ccccc21 ZINC001246540651 804390655 /nfs/dbraw/zinc/39/06/55/804390655.db2.gz BWTKKHRQJAKGRH-HOCLYGCPSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1C[N@@H+]([C@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540651 804390664 /nfs/dbraw/zinc/39/06/64/804390664.db2.gz BWTKKHRQJAKGRH-HOCLYGCPSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1C[N@H+]([C@H]2CCNC3(CCC3)C2)Cc2ccccc21 ZINC001246540651 804390673 /nfs/dbraw/zinc/39/06/73/804390673.db2.gz BWTKKHRQJAKGRH-HOCLYGCPSA-N 1 3 270.420 3.280 20 0 CGADHO [NH3+][C@@H]1CCCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544796 804394231 /nfs/dbraw/zinc/39/42/31/804394231.db2.gz ZEUKZMBQCVQKSW-KGLIPLIRSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001246551105 804400876 /nfs/dbraw/zinc/40/08/76/804400876.db2.gz KREDBJWQCDONFB-RHSMWYFYSA-N 1 3 294.389 3.025 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C)C2)C[C@H](CC)N1 ZINC001246554937 804404097 /nfs/dbraw/zinc/40/40/97/804404097.db2.gz CZXWODVEVOEIEM-JONQDZQNSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C)C2)C[C@H](CC)N1 ZINC001246554937 804404099 /nfs/dbraw/zinc/40/40/99/804404099.db2.gz CZXWODVEVOEIEM-JONQDZQNSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246554527 804404290 /nfs/dbraw/zinc/40/42/90/804404290.db2.gz VZJGPHFCKHJTGC-MGPQQGTHSA-N 1 3 296.455 3.223 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559417 804407618 /nfs/dbraw/zinc/40/76/18/804407618.db2.gz BCZTWGKNJNCMCB-BGTYHANMSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559417 804407624 /nfs/dbraw/zinc/40/76/24/804407624.db2.gz BCZTWGKNJNCMCB-BGTYHANMSA-N 1 3 272.436 3.382 20 0 CGADHO CC(C)C[N@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246559720 804408050 /nfs/dbraw/zinc/40/80/50/804408050.db2.gz PPXSYPWEGSHXGA-DOTOQJQBSA-N 1 3 260.425 3.285 20 0 CGADHO CC(C)C[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](C)C1 ZINC001246559720 804408054 /nfs/dbraw/zinc/40/80/54/804408054.db2.gz PPXSYPWEGSHXGA-DOTOQJQBSA-N 1 3 260.425 3.285 20 0 CGADHO CCCC1CCC(N2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246558334 804408259 /nfs/dbraw/zinc/40/82/59/804408259.db2.gz PDESOOQMNIKCSZ-ROKHWSDSSA-N 1 3 274.399 3.261 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246563766 804411129 /nfs/dbraw/zinc/41/11/29/804411129.db2.gz LTECQEWKQGDRFU-RDBSUJKOSA-N 1 3 296.455 3.366 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246565152 804413155 /nfs/dbraw/zinc/41/31/55/804413155.db2.gz OQGAXFABQRQSTH-CGTJXYLNSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)[C@@H]1C ZINC001246565152 804413159 /nfs/dbraw/zinc/41/31/59/804413159.db2.gz OQGAXFABQRQSTH-CGTJXYLNSA-N 1 3 274.452 3.457 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)CC2)C[C@H](CC)N1 ZINC001246584428 804428132 /nfs/dbraw/zinc/42/81/32/804428132.db2.gz AMHHWUKPUXPYBD-LVQVYYBASA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)CC2)C[C@H](CC)N1 ZINC001246584428 804428137 /nfs/dbraw/zinc/42/81/37/804428137.db2.gz AMHHWUKPUXPYBD-LVQVYYBASA-N 1 3 252.446 3.418 20 0 CGADHO NC[C@@H]1CCCC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584825 804428236 /nfs/dbraw/zinc/42/82/36/804428236.db2.gz VBPUUXDCGBMXIQ-JQHSSLGASA-N 1 3 272.436 3.384 20 0 CGADHO NC[C@@H]1CCCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584825 804428241 /nfs/dbraw/zinc/42/82/41/804428241.db2.gz VBPUUXDCGBMXIQ-JQHSSLGASA-N 1 3 272.436 3.384 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246585644 804430388 /nfs/dbraw/zinc/43/03/88/804430388.db2.gz YNNRSMMRBDYLKA-WMZOPIPTSA-N 1 3 274.452 3.377 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@H](CN)C2)cc1 ZINC001246585644 804430390 /nfs/dbraw/zinc/43/03/90/804430390.db2.gz YNNRSMMRBDYLKA-WMZOPIPTSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591956 804434258 /nfs/dbraw/zinc/43/42/58/804434258.db2.gz JYICUDLPVUFBEX-SJORKVTESA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001246591956 804434261 /nfs/dbraw/zinc/43/42/61/804434261.db2.gz JYICUDLPVUFBEX-SJORKVTESA-N 1 3 292.854 3.258 20 0 CGADHO CC(C)COCC[C@H](C)[N@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246594294 804435809 /nfs/dbraw/zinc/43/58/09/804435809.db2.gz PUUIJEGDYCPDHQ-DLBZAZTESA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)COCC[C@H](C)[N@@H+](C(C)C)[C@@H]1CCCNCC1 ZINC001246594294 804435813 /nfs/dbraw/zinc/43/58/13/804435813.db2.gz PUUIJEGDYCPDHQ-DLBZAZTESA-N 1 3 284.488 3.290 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599040 804438479 /nfs/dbraw/zinc/43/84/79/804438479.db2.gz AFGQXSXLGPBOQE-CVEARBPZSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599040 804438482 /nfs/dbraw/zinc/43/84/82/804438482.db2.gz AFGQXSXLGPBOQE-CVEARBPZSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246602085 804440449 /nfs/dbraw/zinc/44/04/49/804440449.db2.gz IYOAKHDLFZFADL-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246602085 804440451 /nfs/dbraw/zinc/44/04/51/804440451.db2.gz IYOAKHDLFZFADL-FMKPAKJESA-N 1 3 250.430 3.029 20 0 CGADHO CCCC[C@H](CC(C)C)N1CCC[C@]2(CC[NH2+]2)C1 ZINC001246606806 804441469 /nfs/dbraw/zinc/44/14/69/804441469.db2.gz BXUJUPNVSXJARF-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246611534 804445646 /nfs/dbraw/zinc/44/56/46/804445646.db2.gz UHUBIIMOMNDMPC-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246611534 804445651 /nfs/dbraw/zinc/44/56/51/804445651.db2.gz UHUBIIMOMNDMPC-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)=CCC[C@@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC001246611990 804446186 /nfs/dbraw/zinc/44/61/86/804446186.db2.gz VXWWPJWRDOIRPJ-CVEARBPZSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246611990 804446188 /nfs/dbraw/zinc/44/61/88/804446188.db2.gz VXWWPJWRDOIRPJ-CVEARBPZSA-N 1 3 250.430 3.339 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246611990 804446190 /nfs/dbraw/zinc/44/61/90/804446190.db2.gz VXWWPJWRDOIRPJ-CVEARBPZSA-N 1 3 250.430 3.339 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612244 804446860 /nfs/dbraw/zinc/44/68/60/804446860.db2.gz HXVWOLWIORRZDR-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246612244 804446867 /nfs/dbraw/zinc/44/68/67/804446867.db2.gz HXVWOLWIORRZDR-GJZGRUSLSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1C[C@H](N2CCC[C@@]3(CC[NH2+]3)C2)CC(C)(C)C1 ZINC001246613853 804448570 /nfs/dbraw/zinc/44/85/70/804448570.db2.gz RAXNEDXHNBOYIY-IJEWVQPXSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CCC12CCNCC2 ZINC001246640122 804467878 /nfs/dbraw/zinc/46/78/78/804467878.db2.gz BEKVOECWZOFBQY-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCC12CCNCC2 ZINC001246640122 804467883 /nfs/dbraw/zinc/46/78/83/804467883.db2.gz BEKVOECWZOFBQY-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](C[C@@H](C)CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656164 804480056 /nfs/dbraw/zinc/48/00/56/804480056.db2.gz MPOQDXQVBHMSSM-FQUUOJAGSA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656164 804480060 /nfs/dbraw/zinc/48/00/60/804480060.db2.gz MPOQDXQVBHMSSM-FQUUOJAGSA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656164 804480064 /nfs/dbraw/zinc/48/00/64/804480064.db2.gz MPOQDXQVBHMSSM-FQUUOJAGSA-N 1 3 292.389 3.285 20 0 CGADHO C[C@H](CC1CC1)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246669971 804487777 /nfs/dbraw/zinc/48/77/77/804487777.db2.gz AVZWARCFXINJRD-UXPWSPDFSA-N 1 3 298.474 3.428 20 0 CGADHO C[C@H](CC1CC1)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246669971 804487781 /nfs/dbraw/zinc/48/77/81/804487781.db2.gz AVZWARCFXINJRD-UXPWSPDFSA-N 1 3 298.474 3.428 20 0 CGADHO CC(C)C1CCC([N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001246690373 804497165 /nfs/dbraw/zinc/49/71/65/804497165.db2.gz KLEPRGPRGAVYRH-BACDZXNISA-N 1 3 282.447 3.225 20 0 CGADHO CC(C)C1CCC([N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)CC1 ZINC001246690373 804497168 /nfs/dbraw/zinc/49/71/68/804497168.db2.gz KLEPRGPRGAVYRH-BACDZXNISA-N 1 3 282.447 3.225 20 0 CGADHO CC[C@@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246689695 804497346 /nfs/dbraw/zinc/49/73/46/804497346.db2.gz LVEGNIZFAIHCLV-MSOLQXFVSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246689695 804497351 /nfs/dbraw/zinc/49/73/51/804497351.db2.gz LVEGNIZFAIHCLV-MSOLQXFVSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246692053 804498644 /nfs/dbraw/zinc/49/86/44/804498644.db2.gz SXYHELHWAMTZBF-PBHICJAKSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246692053 804498647 /nfs/dbraw/zinc/49/86/47/804498647.db2.gz SXYHELHWAMTZBF-PBHICJAKSA-N 1 3 258.409 3.007 20 0 CGADHO CCCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246778762 804506182 /nfs/dbraw/zinc/50/61/82/804506182.db2.gz XFXDAILCJUEZNM-MUJYYYPQSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246782477 804507761 /nfs/dbraw/zinc/50/77/61/804507761.db2.gz KPURGFAHIBKZTQ-UONOGXRCSA-N 1 3 252.446 3.275 20 0 CGADHO COc1ccc(C2CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246784231 804509455 /nfs/dbraw/zinc/50/94/55/804509455.db2.gz FNZLZLGIHBQDQO-RHSMWYFYSA-N 1 3 288.435 3.015 20 0 CGADHO COc1ccc(C2CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)cc1 ZINC001246784231 804509456 /nfs/dbraw/zinc/50/94/56/804509456.db2.gz FNZLZLGIHBQDQO-RHSMWYFYSA-N 1 3 288.435 3.015 20 0 CGADHO c1csc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246785657 804511178 /nfs/dbraw/zinc/51/11/78/804511178.db2.gz KUAUMEFVTKXTPR-QNMSZWNNSA-N 1 3 262.422 3.168 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@@H](C(C)C)C1 ZINC001246790784 804513329 /nfs/dbraw/zinc/51/33/29/804513329.db2.gz MXOWWROFEQTDJO-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@@H](C(C)C)C1 ZINC001246790784 804513335 /nfs/dbraw/zinc/51/33/35/804513335.db2.gz MXOWWROFEQTDJO-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@H]1C[C@H]([N@H+](C)CC2CCCC2)CCN1 ZINC001246841629 804549659 /nfs/dbraw/zinc/54/96/59/804549659.db2.gz NPLXNLUQFLMZJZ-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H]1C[C@H]([N@@H+](C)CC2CCCC2)CCN1 ZINC001246841629 804549663 /nfs/dbraw/zinc/54/96/63/804549663.db2.gz NPLXNLUQFLMZJZ-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO c1ccc(CC2CCC([N@@H+]3C[C@@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246847160 804556989 /nfs/dbraw/zinc/55/69/89/804556989.db2.gz QDKGFHLUCJPHBL-NUVZVAJJSA-N 1 3 298.474 3.329 20 0 CGADHO c1ccc(CC2CCC([N@H+]3C[C@@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246847160 804556993 /nfs/dbraw/zinc/55/69/93/804556993.db2.gz QDKGFHLUCJPHBL-NUVZVAJJSA-N 1 3 298.474 3.329 20 0 CGADHO c1ccc(C2CCC([N@@H+]3C[C@@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246849240 804560477 /nfs/dbraw/zinc/56/04/77/804560477.db2.gz ZCVQAWAABWKEHR-YBXZHIRMSA-N 1 3 284.447 3.254 20 0 CGADHO c1ccc(C2CCC([N@H+]3C[C@@H]4CCNC[C@H]4C3)CC2)cc1 ZINC001246849240 804560482 /nfs/dbraw/zinc/56/04/82/804560482.db2.gz ZCVQAWAABWKEHR-YBXZHIRMSA-N 1 3 284.447 3.254 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868104 804572059 /nfs/dbraw/zinc/57/20/59/804572059.db2.gz QLVCLKYHPSGGKV-UGUYLWEFSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246868104 804572065 /nfs/dbraw/zinc/57/20/65/804572065.db2.gz QLVCLKYHPSGGKV-UGUYLWEFSA-N 1 3 252.446 3.131 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870605 804572175 /nfs/dbraw/zinc/57/21/75/804572175.db2.gz YSZHKJCBGWPHOY-FZKCQIBNSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246870605 804572177 /nfs/dbraw/zinc/57/21/77/804572177.db2.gz YSZHKJCBGWPHOY-FZKCQIBNSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]1C[C@H](N(CC)Cc2ccc(C)cc2)CC[NH2+]1 ZINC001246906268 804591868 /nfs/dbraw/zinc/59/18/68/804591868.db2.gz DLWXMBPPLXTLJG-IAGOWNOFSA-N 1 3 260.425 3.348 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH+]1CCCNCCC1 ZINC001246909023 804593397 /nfs/dbraw/zinc/59/33/97/804593397.db2.gz YHVXYNWVNGLMLW-QGZVFWFLSA-N 1 3 260.425 3.083 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CCCSC1 ZINC001246937381 804608930 /nfs/dbraw/zinc/60/89/30/804608930.db2.gz LZYQEIHZVBGREL-GDBMZVCRSA-N 1 3 282.497 3.126 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CCCSC1 ZINC001246937381 804608933 /nfs/dbraw/zinc/60/89/33/804608933.db2.gz LZYQEIHZVBGREL-GDBMZVCRSA-N 1 3 282.497 3.126 20 0 CGADHO Fc1cccc(C[N@H+](C2CCCC2)C2CCNCC2)c1 ZINC001246943707 804612389 /nfs/dbraw/zinc/61/23/89/804612389.db2.gz SDTMHKYRSOFEPE-UHFFFAOYSA-N 1 3 276.399 3.322 20 0 CGADHO Fc1cccc(C[N@@H+](C2CCCC2)C2CCNCC2)c1 ZINC001246943707 804612393 /nfs/dbraw/zinc/61/23/93/804612393.db2.gz SDTMHKYRSOFEPE-UHFFFAOYSA-N 1 3 276.399 3.322 20 0 CGADHO Fc1cccc(CN(C2CCCC2)C2CC[NH2+]CC2)c1 ZINC001246943707 804612397 /nfs/dbraw/zinc/61/23/97/804612397.db2.gz SDTMHKYRSOFEPE-UHFFFAOYSA-N 1 3 276.399 3.322 20 0 CGADHO CCCCC[C@@H](C)[N@H+](CCOCC)C1CCNCC1 ZINC001246952014 804616096 /nfs/dbraw/zinc/61/60/96/804616096.db2.gz XJNSFYZMICZHGY-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCC[C@@H](C)[N@@H+](CCOCC)C1CCNCC1 ZINC001246952014 804616098 /nfs/dbraw/zinc/61/60/98/804616098.db2.gz XJNSFYZMICZHGY-OAHLLOKOSA-N 1 3 270.461 3.046 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@H+](C[C@@H]1CCCNC1)C1CC1)C2 ZINC001246970648 804622077 /nfs/dbraw/zinc/62/20/77/804622077.db2.gz ANIWVZCAQFPRAN-APWZRJJASA-N 1 3 298.474 3.316 20 0 CGADHO Cc1cccc2c1CC[C@H]([N@@H+](C[C@@H]1CCCNC1)C1CC1)C2 ZINC001246970648 804622080 /nfs/dbraw/zinc/62/20/80/804622080.db2.gz ANIWVZCAQFPRAN-APWZRJJASA-N 1 3 298.474 3.316 20 0 CGADHO C[C@@H]1CC([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C[C@@H](C)N1 ZINC001246998077 804633040 /nfs/dbraw/zinc/63/30/40/804633040.db2.gz ABOAZQURDPUBPJ-CPUCHLNUSA-N 1 3 290.426 3.362 20 0 CGADHO C[C@@H]1CC([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C[C@@H](C)N1 ZINC001246998077 804633042 /nfs/dbraw/zinc/63/30/42/804633042.db2.gz ABOAZQURDPUBPJ-CPUCHLNUSA-N 1 3 290.426 3.362 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N(C)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC001247002173 804635600 /nfs/dbraw/zinc/63/56/00/804635600.db2.gz SBIOWFUVXSPPIM-RYQLBKOJSA-N 1 3 272.436 3.382 20 0 CGADHO CC(C)[NH+]1CCC(NCCc2cccc(Cl)c2F)CC1 ZINC001257211513 807061672 /nfs/dbraw/zinc/06/16/72/807061672.db2.gz GTDQLTNUXIVIGE-UHFFFAOYSA-N 1 3 298.833 3.484 20 0 CGADHO CCC[C@H](CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001257249918 807069145 /nfs/dbraw/zinc/06/91/45/807069145.db2.gz DXTSNSAFBMKYEV-KRWDZBQOSA-N 1 3 289.467 3.462 20 0 CGADHO CCC[C@@H](CC)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001257265715 807080448 /nfs/dbraw/zinc/08/04/48/807080448.db2.gz ICVSWSVSOSJXHX-OAHLLOKOSA-N 1 3 282.472 3.140 20 0 CGADHO CCC[C@@H](CC)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257265715 807080453 /nfs/dbraw/zinc/08/04/53/807080453.db2.gz ICVSWSVSOSJXHX-OAHLLOKOSA-N 1 3 282.472 3.140 20 0 CGADHO [NH3+]C1(c2ccc(F)cc2)CCN(C2CCCCC2)CC1 ZINC001257452560 807163568 /nfs/dbraw/zinc/16/35/68/807163568.db2.gz AFEKBRVUCARDAF-UHFFFAOYSA-N 1 3 276.399 3.408 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457956 807193729 /nfs/dbraw/zinc/19/37/29/807193729.db2.gz NQFATXHINJAZNH-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457956 807193735 /nfs/dbraw/zinc/19/37/35/807193735.db2.gz NQFATXHINJAZNH-HZPDHXFCSA-N 1 3 266.473 3.476 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2CCCSC2)CC1(C)C ZINC001257660966 807205871 /nfs/dbraw/zinc/20/58/71/807205871.db2.gz FFRUWWGVJNXRAV-LBPRGKRZSA-N 1 3 270.486 3.123 20 0 CGADHO Cc1c(C)c(OCC(C)C)ccc1NC(=N)SCC[NH3+] ZINC001167914882 807273043 /nfs/dbraw/zinc/27/30/43/807273043.db2.gz AWDBZLOFKLCLAS-UHFFFAOYSA-N 1 3 295.452 3.377 20 0 CGADHO CCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167959016 807286961 /nfs/dbraw/zinc/28/69/61/807286961.db2.gz MWUFDWQNPKZDCC-GOOCMWNKSA-N 1 3 250.430 3.170 20 0 CGADHO C[C@H](Cc1ccco1)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001258181227 807345226 /nfs/dbraw/zinc/34/52/26/807345226.db2.gz KQGQGJHIPPMSGR-CQSZACIVSA-N 1 3 276.424 3.065 20 0 CGADHO C[C@H](Cc1ccco1)NC1CC[NH+](CC2CCC2)CC1 ZINC001258181227 807345235 /nfs/dbraw/zinc/34/52/35/807345235.db2.gz KQGQGJHIPPMSGR-CQSZACIVSA-N 1 3 276.424 3.065 20 0 CGADHO c1cc(N2CC[NH+](C3CCCCCCC3)CC2)ccn1 ZINC001258236789 807382044 /nfs/dbraw/zinc/38/20/44/807382044.db2.gz PLXOWWTUCJEQHI-UHFFFAOYSA-N 1 3 273.424 3.317 20 0 CGADHO Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1C ZINC001168351639 807390989 /nfs/dbraw/zinc/39/09/89/807390989.db2.gz WHHJZCRSFZDDKC-UHFFFAOYSA-N 1 3 272.436 3.267 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2 ZINC001169079804 807570089 /nfs/dbraw/zinc/57/00/89/807570089.db2.gz LQSBGQYWOBKYQB-QDMKHBRRSA-N 1 3 264.800 3.055 20 0 CGADHO Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC001169092890 807570632 /nfs/dbraw/zinc/57/06/32/807570632.db2.gz DOAMXANXNHDNAS-BJWYYQGGSA-N 1 3 258.409 3.018 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ncco3)cc1)C2 ZINC001169118224 807582943 /nfs/dbraw/zinc/58/29/43/807582943.db2.gz FPDNTIOJRHGVKF-BJWYYQGGSA-N 1 3 297.402 3.056 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH+]1CCC(N2CCC2)CC1 ZINC001258752741 807594234 /nfs/dbraw/zinc/59/42/34/807594234.db2.gz GRMGIYHZWDJIDR-CQSZACIVSA-N 1 3 292.854 3.441 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153939 807596600 /nfs/dbraw/zinc/59/66/00/807596600.db2.gz MQXUJQQYUGSTND-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO CCN(Cc1ccc(C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153939 807596602 /nfs/dbraw/zinc/59/66/02/807596602.db2.gz MQXUJQQYUGSTND-BCDXTJNWSA-N 1 3 272.436 3.442 20 0 CGADHO C=Cc1ccc(C[NH2+]C2CCN(CCC)CC2)cc1 ZINC001258767111 807602658 /nfs/dbraw/zinc/60/26/58/807602658.db2.gz REPIHLNMZDUGOE-UHFFFAOYSA-N 1 3 258.409 3.294 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001258814144 807632470 /nfs/dbraw/zinc/63/24/70/807632470.db2.gz NXXZHLNREMYPPP-YJBOKZPZSA-N 1 3 294.483 3.046 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCC(=O)c1ccccc1F ZINC001258899820 807668981 /nfs/dbraw/zinc/66/89/81/807668981.db2.gz SECUATMQEOILMG-AWEZNQCLSA-N 1 3 294.414 3.109 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)Nc1cccc(F)c1CN ZINC001258897806 807669187 /nfs/dbraw/zinc/66/91/87/807669187.db2.gz COIKWLOQODVVAW-ZDUSSCGKSA-N 1 3 281.419 3.207 20 0 CGADHO C[C@@H](c1ccc(F)cc1F)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261492823 807751133 /nfs/dbraw/zinc/75/11/33/807751133.db2.gz VQXWJVVDEHGSIZ-ZDUSSCGKSA-N 1 3 294.389 3.491 20 0 CGADHO COc1ccc(C2([NH3+])CCN([C@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170119469 807765239 /nfs/dbraw/zinc/76/52/39/807765239.db2.gz BOLDJJAPMJZZHD-HOCLYGCPSA-N 1 3 288.435 3.134 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170716491 807883962 /nfs/dbraw/zinc/88/39/62/807883962.db2.gz UWQLHMNOWFBGGC-KFESYUHLSA-N 1 3 278.484 3.379 20 0 CGADHO CC(C)(C[NH3+])N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171057702 807975863 /nfs/dbraw/zinc/97/58/63/807975863.db2.gz FFDWNVFGDLNTKK-LLVKDONJSA-N 1 3 287.234 3.178 20 0 CGADHO CCOC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171636005 808110031 /nfs/dbraw/zinc/11/00/31/808110031.db2.gz CDQRFGJROMYXCY-UHFFFAOYSA-N 1 3 282.472 3.139 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccncc1)C1CC1)C2 ZINC001172110788 808178330 /nfs/dbraw/zinc/17/83/30/808178330.db2.gz PECRUPUIWWTKII-XMTFNYHQSA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](c1ccncc1)C1CC1)C2 ZINC001172110788 808178332 /nfs/dbraw/zinc/17/83/32/808178332.db2.gz PECRUPUIWWTKII-XMTFNYHQSA-N 1 3 285.435 3.138 20 0 CGADHO CCOCC[C@@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001172408379 808296551 /nfs/dbraw/zinc/29/65/51/808296551.db2.gz IBXLRUYWLGCDMY-WBVHZDCISA-N 1 3 278.440 3.084 20 0 CGADHO CC(C)OCC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001172439185 808315468 /nfs/dbraw/zinc/31/54/68/808315468.db2.gz ZWJBURUEFIZOJT-CYBMUJFWSA-N 1 3 270.461 3.170 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172651438 808409471 /nfs/dbraw/zinc/40/94/71/808409471.db2.gz BVSSHUQRFZCLBZ-UKRRQHHQSA-N 1 3 282.472 3.185 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001172918040 808478516 /nfs/dbraw/zinc/47/85/16/808478516.db2.gz JEEVWBPNKKMPGW-UKRRQHHQSA-N 1 3 282.472 3.185 20 0 CGADHO CCSC[C@@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001173299176 808599850 /nfs/dbraw/zinc/59/98/50/808599850.db2.gz SCAJYPKQUKOSJM-OAHLLOKOSA-N 1 3 292.492 3.164 20 0 CGADHO CN1CCC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001275045624 808899960 /nfs/dbraw/zinc/89/99/60/808899960.db2.gz QMURGUIBAOJIQY-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO CN1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001275045624 808899967 /nfs/dbraw/zinc/89/99/67/808899967.db2.gz QMURGUIBAOJIQY-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO CCc1cccc(CN[C@@]23CC[C@@]([NH2+]C)(C2)CCC3)c1 ZINC001275057686 808901278 /nfs/dbraw/zinc/90/12/78/808901278.db2.gz MSFSMANURODNHA-MSOLQXFVSA-N 1 3 272.436 3.403 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3c(C)cc(O)cc3C)(C1)CCC2 ZINC001275369780 808932783 /nfs/dbraw/zinc/93/27/83/808932783.db2.gz JRINAEWCHNRBBW-ZWKOTPCHSA-N 1 3 288.435 3.163 20 0 CGADHO Cc1cc(CN2CCC3(CC[N@@H+](C)C3)CC2)cc(C)c1F ZINC001275829903 808969739 /nfs/dbraw/zinc/96/97/39/808969739.db2.gz GOOSZAIIGIGLHK-UHFFFAOYSA-N 1 3 290.426 3.360 20 0 CGADHO Cc1cc(CN2CCC3(CC[N@H+](C)C3)CC2)cc(C)c1F ZINC001275829903 808969741 /nfs/dbraw/zinc/96/97/41/808969741.db2.gz GOOSZAIIGIGLHK-UHFFFAOYSA-N 1 3 290.426 3.360 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4cc[nH]c4c3)(C1)CCC2 ZINC001276054243 808986678 /nfs/dbraw/zinc/98/66/78/808986678.db2.gz HOZBAVBYPSCLNG-ZWKOTPCHSA-N 1 3 283.419 3.322 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1coc3ccccc13)C2 ZINC001276124760 808989656 /nfs/dbraw/zinc/98/96/56/808989656.db2.gz IKPJUPGWWBSZGE-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1coc3ccccc13)C2 ZINC001276124760 808989662 /nfs/dbraw/zinc/98/96/62/808989662.db2.gz IKPJUPGWWBSZGE-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO Cc1nc(C)c(CN2CCC3(CCC[N@@H+](C)C3)CC2)s1 ZINC001276267750 808998344 /nfs/dbraw/zinc/99/83/44/808998344.db2.gz WLNGNZUZQAZPFM-UHFFFAOYSA-N 1 3 293.480 3.068 20 0 CGADHO Cc1nc(C)c(CN2CCC3(CCC[N@H+](C)C3)CC2)s1 ZINC001276267750 808998348 /nfs/dbraw/zinc/99/83/48/808998348.db2.gz WLNGNZUZQAZPFM-UHFFFAOYSA-N 1 3 293.480 3.068 20 0 CGADHO CNc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001179924497 809958827 /nfs/dbraw/zinc/95/88/27/809958827.db2.gz INNOPPQWWVDCRT-APWZRJJASA-N 1 3 299.462 3.177 20 0 CGADHO CNc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001179924497 809958829 /nfs/dbraw/zinc/95/88/29/809958829.db2.gz INNOPPQWWVDCRT-APWZRJJASA-N 1 3 299.462 3.177 20 0 CGADHO Cc1ccc(CC[NH2+]C[C@H]2CCCCN(C)C2)cc1C ZINC001182909933 810130967 /nfs/dbraw/zinc/13/09/67/810130967.db2.gz LPVPRYRJJNNICX-GOSISDBHSA-N 1 3 274.452 3.167 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl)N(C)C ZINC001183103328 810137489 /nfs/dbraw/zinc/13/74/89/810137489.db2.gz JFUHABJRSYPYLE-NWDGAFQWSA-N 1 3 286.822 3.340 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001184387445 810197049 /nfs/dbraw/zinc/19/70/49/810197049.db2.gz JYRCHDUUWBTYIH-XUWVNRHRSA-N 1 3 252.446 3.131 20 0 CGADHO c1coc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001203285841 812290958 /nfs/dbraw/zinc/29/09/58/812290958.db2.gz VZRKNDDUOKTOCJ-UHFFFAOYSA-N 1 3 296.414 3.378 20 0 CGADHO c1coc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)c1 ZINC001203285841 812290964 /nfs/dbraw/zinc/29/09/64/812290964.db2.gz VZRKNDDUOKTOCJ-UHFFFAOYSA-N 1 3 296.414 3.378 20 0 CGADHO CC[N@H+]1C[C@H]2CN(Cc3cccc4ccccc43)C[C@H]2C1 ZINC001203987630 812510019 /nfs/dbraw/zinc/51/00/19/812510019.db2.gz ACTRNSBIQIATAC-HDICACEKSA-N 1 3 280.415 3.223 20 0 CGADHO CC[N@@H+]1C[C@H]2CN(Cc3cccc4ccccc43)C[C@H]2C1 ZINC001203987630 812510022 /nfs/dbraw/zinc/51/00/22/812510022.db2.gz ACTRNSBIQIATAC-HDICACEKSA-N 1 3 280.415 3.223 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC001204591571 812682581 /nfs/dbraw/zinc/68/25/81/812682581.db2.gz GSJNSNBONAHGQN-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC001204591571 812682585 /nfs/dbraw/zinc/68/25/85/812682585.db2.gz GSJNSNBONAHGQN-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001204611151 812690168 /nfs/dbraw/zinc/69/01/68/812690168.db2.gz BHPFJOIFNJSDAJ-UHFFFAOYSA-N 1 3 286.444 3.416 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC[C@@H](C)CC(C)(C)C)C1 ZINC001205001914 812818672 /nfs/dbraw/zinc/81/86/72/812818672.db2.gz XLCJZIATGZTQBU-HUUCEWRRSA-N 1 3 254.462 3.380 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc3nccc(Cl)c3c2)CC1 ZINC001205053502 812841459 /nfs/dbraw/zinc/84/14/59/812841459.db2.gz OACPDHOZLGBCJK-UHFFFAOYSA-N 1 3 289.810 3.059 20 0 CGADHO COc1ccc2ccccc2c1CN1CCC[C@@H]([NH3+])CC1 ZINC001205094161 812859867 /nfs/dbraw/zinc/85/98/67/812859867.db2.gz JGNHFVIPNQWBMJ-OAHLLOKOSA-N 1 3 284.403 3.162 20 0 CGADHO CCn1ccc2ccc(CN3CCC[C@@](C)([NH3+])CC3)cc21 ZINC001205273126 812924252 /nfs/dbraw/zinc/92/42/52/812924252.db2.gz FNVLHRCSPNQEEI-GOSISDBHSA-N 1 3 285.435 3.365 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205289469 812933162 /nfs/dbraw/zinc/93/31/62/812933162.db2.gz YCADKJFIGLPQSH-MRXNPFEDSA-N 1 3 264.388 3.146 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC001205297131 812937719 /nfs/dbraw/zinc/93/77/19/812937719.db2.gz ZPUFJWPLWFUZDM-KFWWJZLASA-N 1 3 254.462 3.366 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC001205297131 812937723 /nfs/dbraw/zinc/93/77/23/812937723.db2.gz ZPUFJWPLWFUZDM-KFWWJZLASA-N 1 3 254.462 3.366 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001205900999 813122950 /nfs/dbraw/zinc/12/29/50/813122950.db2.gz AJGSCLDMYZCNAH-HOTGVXAUSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205900999 813122955 /nfs/dbraw/zinc/12/29/55/813122955.db2.gz AJGSCLDMYZCNAH-HOTGVXAUSA-N 1 3 274.452 3.414 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCC[C@@H](CN)[C@H]2C)C1(C)C ZINC001205904139 813126814 /nfs/dbraw/zinc/12/68/14/813126814.db2.gz SHSFXMKHINFBBT-OWCLPIDISA-N 1 3 264.457 3.428 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@@H](CN)[C@H]2C)C1(C)C ZINC001205904139 813126815 /nfs/dbraw/zinc/12/68/15/813126815.db2.gz SHSFXMKHINFBBT-OWCLPIDISA-N 1 3 264.457 3.428 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@@H](C[NH3+])[C@@H]3C)ccc2n1 ZINC001205912934 813129319 /nfs/dbraw/zinc/12/93/19/813129319.db2.gz DYAZYWCHXWMMJZ-YOEHRIQHSA-N 1 3 283.419 3.102 20 0 CGADHO N[C@H]1CCCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939915 813141999 /nfs/dbraw/zinc/14/19/99/813141999.db2.gz VWWPMCGQBYGMRG-SFHVURJKSA-N 1 3 296.414 3.372 20 0 CGADHO N[C@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205939915 813142003 /nfs/dbraw/zinc/14/20/03/813142003.db2.gz VWWPMCGQBYGMRG-SFHVURJKSA-N 1 3 296.414 3.372 20 0 CGADHO N[C@H]1CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940030 813142995 /nfs/dbraw/zinc/14/29/95/813142995.db2.gz YZFKTMWONSYGBD-INIZCTEOSA-N 1 3 254.377 3.105 20 0 CGADHO N[C@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001205940030 813142998 /nfs/dbraw/zinc/14/29/98/813142998.db2.gz YZFKTMWONSYGBD-INIZCTEOSA-N 1 3 254.377 3.105 20 0 CGADHO C[C@H]1CN(Cc2cc(Cl)ccc2F)CCC[C@@H]1C[NH3+] ZINC001205995331 813156752 /nfs/dbraw/zinc/15/67/52/813156752.db2.gz NQMNZPDWSYAQJA-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCc2ccccc2)C[C@H]1N ZINC001206035715 813175605 /nfs/dbraw/zinc/17/56/05/813175605.db2.gz DBKDZGMONWVWHZ-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@H]1N ZINC001206035715 813175611 /nfs/dbraw/zinc/17/56/11/813175611.db2.gz DBKDZGMONWVWHZ-NVXWUHKLSA-N 1 3 260.425 3.069 20 0 CGADHO Cc1c(C)c(C)c(C[N@H+]2CC[C@@H](C)[C@H](N)C2)c(C)c1C ZINC001206043403 813180003 /nfs/dbraw/zinc/18/00/03/813180003.db2.gz CRSRWADXSSEZEB-ADLMAVQZSA-N 1 3 274.452 3.398 20 0 CGADHO Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H](C)[C@H](N)C2)c(C)c1C ZINC001206043403 813180008 /nfs/dbraw/zinc/18/00/08/813180008.db2.gz CRSRWADXSSEZEB-ADLMAVQZSA-N 1 3 274.452 3.398 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CNC3)CCC[C@@H]1C ZINC001206109543 813202228 /nfs/dbraw/zinc/20/22/28/813202228.db2.gz BIZLAXSGRMSNSX-KBPBESRZSA-N 1 3 258.409 3.158 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CNC3)CCC[C@@H]1C ZINC001206109543 813202231 /nfs/dbraw/zinc/20/22/31/813202231.db2.gz BIZLAXSGRMSNSX-KBPBESRZSA-N 1 3 258.409 3.158 20 0 CGADHO [NH3+][C@H]1CCN(Cc2cccc(-c3ccccn3)c2)CC[C@@H]1F ZINC001206188927 813233518 /nfs/dbraw/zinc/23/35/18/813233518.db2.gz WGJLOQXGKNUNFB-IRXDYDNUSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200980 813237773 /nfs/dbraw/zinc/23/77/73/813237773.db2.gz UWDDJFQSBQQPSL-SJORKVTESA-N 1 3 299.393 3.010 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@H]1F ZINC001206200980 813237777 /nfs/dbraw/zinc/23/77/77/813237777.db2.gz UWDDJFQSBQQPSL-SJORKVTESA-N 1 3 299.393 3.010 20 0 CGADHO NC[C@@]1(F)CCCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363456 813304111 /nfs/dbraw/zinc/30/41/11/813304111.db2.gz XHFIBLOXXZGTAH-KRWDZBQOSA-N 1 3 276.399 3.217 20 0 CGADHO NC[C@@]1(F)CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363456 813304116 /nfs/dbraw/zinc/30/41/16/813304116.db2.gz XHFIBLOXXZGTAH-KRWDZBQOSA-N 1 3 276.399 3.217 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549960 813348719 /nfs/dbraw/zinc/34/87/19/813348719.db2.gz RZPCGWISNPMLQL-SFHVURJKSA-N 1 3 285.435 3.427 20 0 CGADHO CN(CCCc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207285467 813535846 /nfs/dbraw/zinc/53/58/46/813535846.db2.gz LELKNDQRCJPZRO-UHFFFAOYSA-N 1 3 262.441 3.139 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1(C)CCOCC1 ZINC001208077497 813688917 /nfs/dbraw/zinc/68/89/17/813688917.db2.gz VHILNKVPLRGCGP-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1(C)CCOCC1 ZINC001208077497 813688919 /nfs/dbraw/zinc/68/89/19/813688919.db2.gz VHILNKVPLRGCGP-DLBZAZTESA-N 1 3 294.483 3.142 20 0 CGADHO CC/C=C\CCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001208135322 813700518 /nfs/dbraw/zinc/70/05/18/813700518.db2.gz CVUDGJFIDRSPMN-FPLPWBNLSA-N 1 3 295.515 3.082 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001208172276 813724955 /nfs/dbraw/zinc/72/49/55/813724955.db2.gz AISRTGPRHFCKCE-JKSUJKDBSA-N 1 3 262.441 3.006 20 0 CGADHO Cc1cc(N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)c2ccccc2n1 ZINC001209411715 814020050 /nfs/dbraw/zinc/02/00/50/814020050.db2.gz UFILEMCKAFMGON-ZBFHGGJFSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001209846702 814164198 /nfs/dbraw/zinc/16/41/98/814164198.db2.gz VRLKFZFCMYHWRQ-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)CC1 ZINC001209846702 814164204 /nfs/dbraw/zinc/16/42/04/814164204.db2.gz VRLKFZFCMYHWRQ-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO c1cc2c(cccc2CN2CCC[C@@]3(CCC[NH2+]C3)C2)[nH]1 ZINC001222265793 816391900 /nfs/dbraw/zinc/39/19/00/816391900.db2.gz ZDIBEDNRPTVCBQ-GOSISDBHSA-N 1 3 283.419 3.134 20 0 CGADHO Cn1c(CN2CCC3(CCC[NH2+]C3)CC2)cc2ccccc21 ZINC001222453122 816449034 /nfs/dbraw/zinc/44/90/34/816449034.db2.gz QXRPUFKFVZAINU-UHFFFAOYSA-N 1 3 297.446 3.144 20 0 CGADHO C[NH2+]Cc1cccc(-c2ccc(CN(C)C3CC3)cn2)c1 ZINC001242996166 823203851 /nfs/dbraw/zinc/20/38/51/823203851.db2.gz IULRMIZQBWJGGT-UHFFFAOYSA-N 1 3 281.403 3.062 20 0 CGADHO CCN1C[C@H]2C[NH+](Cc3ccc(CC(C)C)cc3)C[C@@H]2C1 ZINC001231790465 818176758 /nfs/dbraw/zinc/17/67/58/818176758.db2.gz VEWYAEGLWDFTRM-OALUTQOASA-N 1 3 286.463 3.269 20 0 CGADHO CC[N@H+](Cc1cc(F)cc(CN(C)C)c1)C(C)C ZINC001232145641 818263304 /nfs/dbraw/zinc/26/33/04/818263304.db2.gz WJZHVBIUDNRHME-UHFFFAOYSA-N 1 3 252.377 3.118 20 0 CGADHO CC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)C(C)C ZINC001232145641 818263312 /nfs/dbraw/zinc/26/33/12/818263312.db2.gz WJZHVBIUDNRHME-UHFFFAOYSA-N 1 3 252.377 3.118 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1c(C)cccc1OC ZINC001232623289 818403665 /nfs/dbraw/zinc/40/36/65/818403665.db2.gz MVBOEUMYNRFQLJ-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1c(C)cccc1OC ZINC001232623289 818403668 /nfs/dbraw/zinc/40/36/68/818403668.db2.gz MVBOEUMYNRFQLJ-UHFFFAOYSA-N 1 3 278.440 3.167 20 0 CGADHO CN(C)C1CC[NH+](Cc2ccccc2-n2cccc2)CC1 ZINC001232908896 818469772 /nfs/dbraw/zinc/46/97/72/818469772.db2.gz ZLHUZWXZEIXDKK-UHFFFAOYSA-N 1 3 283.419 3.003 20 0 CGADHO CC(C)c1ccc(C[C@H](C)CN2CC3CC2(C[NH3+])C3)cc1 ZINC001235007230 818978334 /nfs/dbraw/zinc/97/83/34/818978334.db2.gz KHZSWJONYAVDAO-DMKPSLHHSA-N 1 3 286.463 3.412 20 0 CGADHO C[C@H](CCN1CC[C@@]2(CC[NH2+]C2)C1)CC(C)(C)C ZINC001235032570 818984504 /nfs/dbraw/zinc/98/45/04/818984504.db2.gz RGLBLOHHUJMGQF-GDBMZVCRSA-N 1 3 252.446 3.134 20 0 CGADHO c1ccc(CCCCC[N@@H+]2CCC23CCNCC3)cc1 ZINC001235102064 819002909 /nfs/dbraw/zinc/00/29/09/819002909.db2.gz LBCPRISFRZAHOI-UHFFFAOYSA-N 1 3 272.436 3.227 20 0 CGADHO c1ccc(CCCCC[N@H+]2CCC23CCNCC3)cc1 ZINC001235102064 819002915 /nfs/dbraw/zinc/00/29/15/819002915.db2.gz LBCPRISFRZAHOI-UHFFFAOYSA-N 1 3 272.436 3.227 20 0 CGADHO c1ccc(CCCCCN2CCC23CC[NH2+]CC3)cc1 ZINC001235102064 819002919 /nfs/dbraw/zinc/00/29/19/819002919.db2.gz LBCPRISFRZAHOI-UHFFFAOYSA-N 1 3 272.436 3.227 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CCCC23CCNCC3)c(C)c1 ZINC001235141692 819015142 /nfs/dbraw/zinc/01/51/42/819015142.db2.gz WCJYBFBHHGOUFF-UHFFFAOYSA-N 1 3 272.436 3.330 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CCCC23CCNCC3)c(C)c1 ZINC001235141692 819015145 /nfs/dbraw/zinc/01/51/45/819015145.db2.gz WCJYBFBHHGOUFF-UHFFFAOYSA-N 1 3 272.436 3.330 20 0 CGADHO CC(C)(CN1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)Sc1ccc(Cl)cc1 ZINC001235210511 819037112 /nfs/dbraw/zinc/03/71/12/819037112.db2.gz LBXVEBVTLQMEQT-WDNDVIMCSA-N 1 3 296.867 3.100 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CCCN[C@H]3C2)C1(C)C ZINC001235210378 819037440 /nfs/dbraw/zinc/03/74/40/819037440.db2.gz ZMVNCKGIEOANNE-PMPSAXMXSA-N 1 3 262.441 3.053 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2C[C@H]3CCCN[C@H]3C2)C1(C)C ZINC001235210378 819037443 /nfs/dbraw/zinc/03/74/43/819037443.db2.gz ZMVNCKGIEOANNE-PMPSAXMXSA-N 1 3 262.441 3.053 20 0 CGADHO Fc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235228524 819040816 /nfs/dbraw/zinc/04/08/16/819040816.db2.gz IRFQXLMDVYHKLP-KRWDZBQOSA-N 1 3 276.399 3.180 20 0 CGADHO Cc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235228594 819040890 /nfs/dbraw/zinc/04/08/90/819040890.db2.gz JFNAOEWTFNMIEQ-SFHVURJKSA-N 1 3 290.426 3.488 20 0 CGADHO COc1ccc(-c2ccccc2)c(CN(C)CCC[NH3+])c1 ZINC001235435676 819100391 /nfs/dbraw/zinc/10/03/91/819100391.db2.gz UKBQIMDIEQLOFM-UHFFFAOYSA-N 1 3 284.403 3.143 20 0 CGADHO c1ccc([C@@H]2CCCN(CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235667219 819133296 /nfs/dbraw/zinc/13/32/96/819133296.db2.gz WGLJXGMUAIHZQE-QZTJIDSGSA-N 1 3 272.436 3.398 20 0 CGADHO Cc1ccc(CN(C)CCC2CC[NH2+]CC2)c(Cl)c1 ZINC001235716886 819149881 /nfs/dbraw/zinc/14/98/81/819149881.db2.gz LJBWZNORZCOCPW-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO [NH3+][C@H](Cc1ccccc1)CN1CC[C@@H](Cc2ccccc2)C1 ZINC001235715233 819150736 /nfs/dbraw/zinc/15/07/36/819150736.db2.gz OAHPWHRHUMQDJX-VQTJNVASSA-N 1 3 294.442 3.121 20 0 CGADHO CC[NH2+]C1CCN(C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001235725640 819153965 /nfs/dbraw/zinc/15/39/65/819153965.db2.gz LXVKVIIZNKCSHB-LSDHHAIUSA-N 1 3 250.430 3.053 20 0 CGADHO Cc1ccc(-c2ccc(CN3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC001235748869 819160735 /nfs/dbraw/zinc/16/07/35/819160735.db2.gz DTJATHNUINSSTL-QGZVFWFLSA-N 1 3 280.415 3.443 20 0 CGADHO CCN(Cc1cccc(C(C)C)c1)C1CC[NH2+]CC1 ZINC001235764920 819162958 /nfs/dbraw/zinc/16/29/58/819162958.db2.gz QQFBGNAIRPWYGJ-UHFFFAOYSA-N 1 3 260.425 3.384 20 0 CGADHO CCC(C)(C)c1ccc(CN2CC3(CC([NH3+])C3)C2)cc1 ZINC001235821037 819175565 /nfs/dbraw/zinc/17/55/65/819175565.db2.gz XQZKYLLGUUFRLT-UHFFFAOYSA-N 1 3 272.436 3.297 20 0 CGADHO c1cc(-c2cccc(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)cs1 ZINC001235934651 819230713 /nfs/dbraw/zinc/23/07/13/819230713.db2.gz CHIFJVWHGCDSKT-FUHWJXTLSA-N 1 3 298.455 3.456 20 0 CGADHO C[C@H](CC[N@H+](C)C[C@@H]1CCCNC1)CC(C)(C)C ZINC001235950664 819241672 /nfs/dbraw/zinc/24/16/72/819241672.db2.gz KYPKMDOAPGFIPU-HUUCEWRRSA-N 1 3 254.462 3.380 20 0 CGADHO C[C@H](CC[N@@H+](C)C[C@@H]1CCCNC1)CC(C)(C)C ZINC001235950664 819241679 /nfs/dbraw/zinc/24/16/79/819241679.db2.gz KYPKMDOAPGFIPU-HUUCEWRRSA-N 1 3 254.462 3.380 20 0 CGADHO C[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950610 819242131 /nfs/dbraw/zinc/24/21/31/819242131.db2.gz INZBXURJYBTOPS-KMFMINBZSA-N 1 3 292.854 3.375 20 0 CGADHO C[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC001235950610 819242136 /nfs/dbraw/zinc/24/21/36/819242136.db2.gz INZBXURJYBTOPS-KMFMINBZSA-N 1 3 292.854 3.375 20 0 CGADHO CN(C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235950610 819242139 /nfs/dbraw/zinc/24/21/39/819242139.db2.gz INZBXURJYBTOPS-KMFMINBZSA-N 1 3 292.854 3.375 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)C[C@@H](N)C1 ZINC001236044836 819282576 /nfs/dbraw/zinc/28/25/76/819282576.db2.gz AMLITGNTVQYKBY-CZUORRHYSA-N 1 3 268.404 3.317 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1C[C@H](C)C[C@@H](N)C1 ZINC001236044836 819282580 /nfs/dbraw/zinc/28/25/80/819282580.db2.gz AMLITGNTVQYKBY-CZUORRHYSA-N 1 3 268.404 3.317 20 0 CGADHO CCC[N@H+](C[C@H](C)OCc1ccccc1)C1CCNCC1 ZINC001236180130 819357815 /nfs/dbraw/zinc/35/78/15/819357815.db2.gz BDRYEFCVCGNTAL-INIZCTEOSA-N 1 3 290.451 3.056 20 0 CGADHO CCC[N@@H+](C[C@H](C)OCc1ccccc1)C1CCNCC1 ZINC001236180130 819357818 /nfs/dbraw/zinc/35/78/18/819357818.db2.gz BDRYEFCVCGNTAL-INIZCTEOSA-N 1 3 290.451 3.056 20 0 CGADHO Nc1cc[nH+]cc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001236249024 819405070 /nfs/dbraw/zinc/40/50/70/819405070.db2.gz OCMJFWJXNCOEBT-UHFFFAOYSA-N 1 3 285.366 3.286 20 0 CGADHO CCN(CCc1ccc(OC)cc1)CC[C@H]1CCCC[NH2+]1 ZINC001236303373 819417226 /nfs/dbraw/zinc/41/72/26/819417226.db2.gz QHCJCYYCPIDIBC-QGZVFWFLSA-N 1 3 290.451 3.092 20 0 CGADHO Clc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236314149 819420580 /nfs/dbraw/zinc/42/05/80/819420580.db2.gz HWHWQVXLUJNERN-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO CC[C@@H](C)C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236370360 819439162 /nfs/dbraw/zinc/43/91/62/819439162.db2.gz DRIIPMBVPMOMDP-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H](C)C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236370360 819439164 /nfs/dbraw/zinc/43/91/64/819439164.db2.gz DRIIPMBVPMOMDP-CABCVRRESA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]1C[C@H]1CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401585 819451506 /nfs/dbraw/zinc/45/15/06/819451506.db2.gz PGKFJCJFDZUGHV-ZFWWWQNUSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@H]1C[C@H]1C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401585 819451511 /nfs/dbraw/zinc/45/15/11/819451511.db2.gz PGKFJCJFDZUGHV-ZFWWWQNUSA-N 1 3 276.399 3.036 20 0 CGADHO C[C@H]1C[C@H]1C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236401585 819451515 /nfs/dbraw/zinc/45/15/15/819451515.db2.gz PGKFJCJFDZUGHV-ZFWWWQNUSA-N 1 3 276.399 3.036 20 0 CGADHO CCN(Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236412485 819458980 /nfs/dbraw/zinc/45/89/80/819458980.db2.gz VLUGVBNEHBGAFG-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@@H+]1CCCCCOCc1ccccc1 ZINC001236414641 819460133 /nfs/dbraw/zinc/46/01/33/819460133.db2.gz LOUGRWIIUVDVJE-AEFFLSMTSA-N 1 3 290.451 3.185 20 0 CGADHO C[C@@H]1[C@@H](N)CCC[N@H+]1CCCCCOCc1ccccc1 ZINC001236414641 819460134 /nfs/dbraw/zinc/46/01/34/819460134.db2.gz LOUGRWIIUVDVJE-AEFFLSMTSA-N 1 3 290.451 3.185 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](N)[C@H]2C)cc1 ZINC001236415553 819460770 /nfs/dbraw/zinc/46/07/70/819460770.db2.gz OOUOCGKFBGWPRQ-RHSMWYFYSA-N 1 3 260.425 3.164 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H](N)[C@H]2C)cc1 ZINC001236415553 819460772 /nfs/dbraw/zinc/46/07/72/819460772.db2.gz OOUOCGKFBGWPRQ-RHSMWYFYSA-N 1 3 260.425 3.164 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@H](N)[C@@H]1C ZINC001236417629 819464045 /nfs/dbraw/zinc/46/40/45/819464045.db2.gz CKFKHXJAZLHFHH-KSSFIOAISA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](N)[C@@H]1C ZINC001236417629 819464050 /nfs/dbraw/zinc/46/40/50/819464050.db2.gz CKFKHXJAZLHFHH-KSSFIOAISA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2c(c1)CCN(Cc1cccc(C[NH3+])c1)C2 ZINC001236606235 819551028 /nfs/dbraw/zinc/55/10/28/819551028.db2.gz SAFCEDUGZULBBP-UHFFFAOYSA-N 1 3 266.388 3.012 20 0 CGADHO CCCc1ccc(CN(CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236836974 819616900 /nfs/dbraw/zinc/61/69/00/819616900.db2.gz ZTXUFAWVDRYUJP-GOSISDBHSA-N 1 3 274.452 3.461 20 0 CGADHO CCCN(Cc1cc(OCC)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236843258 819618697 /nfs/dbraw/zinc/61/86/97/819618697.db2.gz GHKYSTAYXAKMQX-INIZCTEOSA-N 1 3 290.451 3.215 20 0 CGADHO Clc1ccc(CCCN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384369 819740002 /nfs/dbraw/zinc/74/00/02/819740002.db2.gz VVJWPQFCXFGDJL-NVXWUHKLSA-N 1 3 292.854 3.347 20 0 CGADHO Cc1c(Cl)cccc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001237735736 819826690 /nfs/dbraw/zinc/82/66/90/819826690.db2.gz PGSPUSMBPZOCBB-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO Cc1c(Cl)cccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001237735736 819826697 /nfs/dbraw/zinc/82/66/97/819826697.db2.gz PGSPUSMBPZOCBB-UHFFFAOYSA-N 1 3 278.827 3.176 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cncc(C4CC4)c3)CC2)CC1 ZINC001238196247 819954541 /nfs/dbraw/zinc/95/45/41/819954541.db2.gz XNRBXUOOBXRMEL-UHFFFAOYSA-N 1 3 299.462 3.267 20 0 CGADHO CCN(CC)Cc1cccc(C2=CC[NH2+]CC2)c1F ZINC001240470454 821077457 /nfs/dbraw/zinc/07/74/57/821077457.db2.gz IFOQPMSXLRGIHA-UHFFFAOYSA-N 1 3 262.372 3.044 20 0 CGADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(C2=CCN(C)CC2)nc1 ZINC001241317433 821727793 /nfs/dbraw/zinc/72/77/93/821727793.db2.gz OTYYQWXXCZVRNY-GOSISDBHSA-N 1 3 285.435 3.347 20 0 CGADHO CC[N@H+]1CCCC[C@@H]1c1ccc(C2=CCN(C)CC2)nc1 ZINC001241317433 821727794 /nfs/dbraw/zinc/72/77/94/821727794.db2.gz OTYYQWXXCZVRNY-GOSISDBHSA-N 1 3 285.435 3.347 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001474302057 937849846 /nfs/dbraw/zinc/84/98/46/937849846.db2.gz RWKYEXBFGRTYNE-DSIITGHMSA-N 1 3 264.457 3.275 20 0 CGADHO C[N@H+](Cc1ccccc1)C1CCN(C(C)(C)C)CC1 ZINC000150152469 937220854 /nfs/dbraw/zinc/22/08/54/937220854.db2.gz HGZZISQFWKDWLQ-UHFFFAOYSA-N 1 3 260.425 3.381 20 0 CGADHO C[N@@H+](Cc1ccccc1)C1CCN(C(C)(C)C)CC1 ZINC000150152469 937220856 /nfs/dbraw/zinc/22/08/56/937220856.db2.gz HGZZISQFWKDWLQ-UHFFFAOYSA-N 1 3 260.425 3.381 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001308555034 928532722 /nfs/dbraw/zinc/53/27/22/928532722.db2.gz UHRNGXROPWNZQP-ZHCJQAHYSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)(C)CCCN1CCC(C)([NH+]2CCC2)CC1 ZINC001460689387 937540269 /nfs/dbraw/zinc/54/02/69/937540269.db2.gz ICIOHTHMFSRCGX-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO Fc1ccc(/C=C\C[NH2+]CCCN2CCCCC2)cc1 ZINC001461005462 937559209 /nfs/dbraw/zinc/55/92/09/937559209.db2.gz LKAIAOAWLBGVJD-XQRVVYSFSA-N 1 3 276.399 3.305 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)[C@@H]2C1 ZINC001461826090 937599837 /nfs/dbraw/zinc/59/98/37/937599837.db2.gz CXHXFGDHBBQRMM-NLNMYJFZSA-N 1 3 299.462 3.038 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC001461832098 937600624 /nfs/dbraw/zinc/60/06/24/937600624.db2.gz RXBRAYRBPCYRMV-CADBVGFASA-N 1 3 286.463 3.356 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001462131858 937620270 /nfs/dbraw/zinc/62/02/70/937620270.db2.gz BPDKVWKSXKUQSD-ZLPCBKJTSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H](C[N@@H+]1CCCN(c2ccncc2)CC1)C(C)(C)C ZINC001307874928 933011845 /nfs/dbraw/zinc/01/18/45/933011845.db2.gz DTFGRCQJYCPVDQ-HNNXBMFYSA-N 1 3 275.440 3.276 20 0 CGADHO C[C@@H](C[N@H+]1CCCN(c2ccncc2)CC1)C(C)(C)C ZINC001307874928 933011853 /nfs/dbraw/zinc/01/18/53/933011853.db2.gz DTFGRCQJYCPVDQ-HNNXBMFYSA-N 1 3 275.440 3.276 20 0 CGADHO C[C@H]1C[N@H+](CCC(C)(C)C2CC2)CCN1c1ccncc1 ZINC001308041406 933038685 /nfs/dbraw/zinc/03/86/85/933038685.db2.gz SRTOQTDGMPSSKK-HNNXBMFYSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CCN1c1ccncc1 ZINC001308041406 933038688 /nfs/dbraw/zinc/03/86/88/933038688.db2.gz SRTOQTDGMPSSKK-HNNXBMFYSA-N 1 3 287.451 3.418 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CN3CCC2CC3)C1 ZINC001462637438 937656182 /nfs/dbraw/zinc/65/61/82/937656182.db2.gz UTKAKDOVKMLGPS-VYDXJSESSA-N 1 3 264.457 3.134 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC001308417933 933109372 /nfs/dbraw/zinc/10/93/72/933109372.db2.gz HQAZNEHXDFSXKI-OAGGEKHMSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001462673648 937659287 /nfs/dbraw/zinc/65/92/87/937659287.db2.gz XULMIXQNDNLSES-LJIZCISZSA-N 1 3 264.457 3.131 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC001308554606 933131659 /nfs/dbraw/zinc/13/16/59/933131659.db2.gz QBYFWOIVAOUASE-ARFHVFGLSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C1(C)C ZINC001308683318 933157594 /nfs/dbraw/zinc/15/75/94/933157594.db2.gz MTJKQWNQLZJOCD-GVDBMIGSSA-N 1 3 296.499 3.433 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308983615 933221204 /nfs/dbraw/zinc/22/12/04/933221204.db2.gz GFDZIALCOZCHDX-FIDHJVLJSA-N 1 3 266.473 3.377 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)[C@H]2C1 ZINC001308985244 933223143 /nfs/dbraw/zinc/22/31/43/933223143.db2.gz YQKWLMBMUYYLNK-RFSXOUPVSA-N 1 3 276.468 3.275 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2(C)CC2)CC1 ZINC001320094810 933999238 /nfs/dbraw/zinc/99/92/38/933999238.db2.gz MSHFJXKALZRHHN-ZFWWWQNUSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2(C)CC2)CC1 ZINC001320094810 933999243 /nfs/dbraw/zinc/99/92/43/933999243.db2.gz MSHFJXKALZRHHN-ZFWWWQNUSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](C[NH2+][C@H](C)Cc1ccccc1Cl)CN(C)C ZINC001324787413 934566869 /nfs/dbraw/zinc/56/68/69/934566869.db2.gz FWTYGXNUWSVQAG-CHWSQXEVSA-N 1 3 268.832 3.058 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001473717488 937818866 /nfs/dbraw/zinc/81/88/66/937818866.db2.gz XOUHEMJAJSEWGA-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001473717488 937818867 /nfs/dbraw/zinc/81/88/67/937818867.db2.gz XOUHEMJAJSEWGA-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO COc1cccc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])oc21 ZINC001327416382 935058651 /nfs/dbraw/zinc/05/86/51/935058651.db2.gz RNDRVOAFDBWGPE-UKRRQHHQSA-N 1 3 288.391 3.049 20 0 CGADHO C[C@H](C[C@@H](O)c1cccs1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001328764601 935167721 /nfs/dbraw/zinc/16/77/21/935167721.db2.gz OMJOAERUURJCCX-MGPQQGTHSA-N 1 3 296.480 3.023 20 0 CGADHO C[C@H](C[C@@H](O)c1cccs1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC001328764601 935167725 /nfs/dbraw/zinc/16/77/25/935167725.db2.gz OMJOAERUURJCCX-MGPQQGTHSA-N 1 3 296.480 3.023 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC001329172392 935193372 /nfs/dbraw/zinc/19/33/72/935193372.db2.gz FSVVRSSQDVLLSA-AWEZNQCLSA-N 1 3 272.392 3.254 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccnc4ccccc43)C[C@@H]2C1 ZINC001335132963 936131163 /nfs/dbraw/zinc/13/11/63/936131163.db2.gz ZROUXXYFSCEJBQ-OWCLPIDISA-N 1 3 295.430 3.401 20 0 CGADHO CC(C)[C@@H](CNCCc1ccc(F)cc1)[NH+]1CCCC1 ZINC001337416009 936257077 /nfs/dbraw/zinc/25/70/77/936257077.db2.gz VXUVVFVCVZREDN-QGZVFWFLSA-N 1 3 278.415 3.078 20 0 CGADHO Cc1ccccc1[C@@]1(F)CCN(CC2CC[NH+](C)CC2)C1 ZINC001474473940 937861835 /nfs/dbraw/zinc/86/18/35/937861835.db2.gz GIXDDVGMZUUQSS-GOSISDBHSA-N 1 3 290.426 3.207 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037172 938154579 /nfs/dbraw/zinc/15/45/79/938154579.db2.gz POJIUYKXXFZAAT-HZPDHXFCSA-N 1 3 290.407 3.122 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)s1 ZINC001549037172 938154580 /nfs/dbraw/zinc/15/45/80/938154580.db2.gz POJIUYKXXFZAAT-HZPDHXFCSA-N 1 3 290.407 3.122 20 0 CGADHO [NH3+][C@H]1C[C@@H](NC2CC(c3ccccc3Cl)C2)C12CCC2 ZINC001553026865 938196077 /nfs/dbraw/zinc/19/60/77/938196077.db2.gz CFKRDFIBJFLNSB-UQZDFYISSA-N 1 3 290.838 3.446 20 0 CGADHO CC[C@H](C)[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155926 938245603 /nfs/dbraw/zinc/24/56/03/938245603.db2.gz YCHNZZQKKKUNJD-KKUMJFAQSA-N 1 3 261.413 3.027 20 0 CGADHO CC[C@H](C)[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001560155926 938245604 /nfs/dbraw/zinc/24/56/04/938245604.db2.gz YCHNZZQKKKUNJD-KKUMJFAQSA-N 1 3 261.413 3.027 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001561055597 938292327 /nfs/dbraw/zinc/29/23/27/938292327.db2.gz QSFUQVWKJPFAHI-YHUYYLMFSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)[NH+]1CCC(N[C@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC001257208514 960426588 /nfs/dbraw/zinc/42/65/88/960426588.db2.gz KKHZEDBVXIFINR-IRXDYDNUSA-N 1 3 276.399 3.144 20 0 CGADHO CCC[NH+]1CCC(N2CCC(c3ccncc3)CC2)CC1 ZINC001258774287 960428574 /nfs/dbraw/zinc/42/85/74/960428574.db2.gz LZNDVVCZZGIRNW-UHFFFAOYSA-N 1 3 287.451 3.135 20 0 CGADHO CCCOC1(CN[C@H](C)C[C@H]2CCC[NH2+]2)CCCCC1 ZINC001577577238 960475634 /nfs/dbraw/zinc/47/56/34/960475634.db2.gz HBQCMCQLQOVXHR-HZPDHXFCSA-N 1 3 282.472 3.236 20 0 CGADHO CCCOC1(CN[C@H](C)C[C@@H]2CCC[NH2+]2)CCCCC1 ZINC001577577236 960480606 /nfs/dbraw/zinc/48/06/06/960480606.db2.gz HBQCMCQLQOVXHR-CVEARBPZSA-N 1 3 282.472 3.236 20 0 CGADHO CC(C)C1CCC([NH2+]Cc2nc3c(s2)CNCC3)CC1 ZINC001575497025 962380571 /nfs/dbraw/zinc/38/05/71/962380571.db2.gz CBBYDBZJEJFVJC-UHFFFAOYSA-N 1 3 293.480 3.093 20 0 CGADHO CC(C)N(CCC1([NH3+])CCOCC1)[C@H](C)c1ccsc1 ZINC001575690361 962412237 /nfs/dbraw/zinc/41/22/37/962412237.db2.gz JVOJEQOJJHBVBL-CQSZACIVSA-N 1 3 296.480 3.418 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCC(=O)OC(C)(C)C ZINC001575934395 962419778 /nfs/dbraw/zinc/41/97/78/962419778.db2.gz PMHXBGKMCOISON-HUUCEWRRSA-N 1 3 298.471 3.009 20 0 CGADHO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCCNC2CC2)C1 ZINC001576435030 962457044 /nfs/dbraw/zinc/45/70/44/962457044.db2.gz OHVJGBJXUNUNNE-HOCLYGCPSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC001576435030 962457058 /nfs/dbraw/zinc/45/70/58/962457058.db2.gz OHVJGBJXUNUNNE-HOCLYGCPSA-N 1 3 264.457 3.277 20 0 CGADHO CC1(C)CN(CCCC2CC[NH2+]CC2)[C@@H]1c1cccnc1 ZINC001576457818 962465430 /nfs/dbraw/zinc/46/54/30/962465430.db2.gz OXWGTVRUDKMYQP-QGZVFWFLSA-N 1 3 287.451 3.244 20 0 CGADHO C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc(C[NH3+])c1 ZINC001576584049 962477045 /nfs/dbraw/zinc/47/70/45/962477045.db2.gz SRTBVCOSQRHDEF-RISCZKNCSA-N 1 3 286.341 3.308 20 0 CGADHO CCC(CC)[C@@H]1C[C@@H]([NH2+]CC(CC)(CC)CN)CCO1 ZINC001577068122 962511149 /nfs/dbraw/zinc/51/11/49/962511149.db2.gz BAHOLKQUFYUGNK-HOTGVXAUSA-N 1 3 284.488 3.325 20 0 CGADHO CC[C@H]1CC[N@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC001577262601 962518540 /nfs/dbraw/zinc/51/85/40/962518540.db2.gz KAFHAMZVVYOQNQ-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@H]1CC[N@@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC001577262601 962518556 /nfs/dbraw/zinc/51/85/56/962518556.db2.gz KAFHAMZVVYOQNQ-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO CS[C@@H]1CCC[C@H](NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC001579370755 962616192 /nfs/dbraw/zinc/61/61/92/962616192.db2.gz VYBILVNTBLRTAK-BFHYXJOUSA-N 1 3 270.486 3.028 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN(Cc1ccccc1)C(C)(C)C ZINC001579454434 962631549 /nfs/dbraw/zinc/63/15/49/962631549.db2.gz BXELMODLDLAAKF-ZBFHGGJFSA-N 1 3 260.425 3.143 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC001580339606 962718729 /nfs/dbraw/zinc/71/87/29/962718729.db2.gz QAUSJROLOCOXTN-UHFFFAOYSA-N 1 3 278.758 3.228 20 0 CGADHO COC[C@H](CC(C)(C)C)NC1CC[NH+](CC(C)C)CC1 ZINC000651674234 398267020 /nfs/dbraw/zinc/26/70/20/398267020.db2.gz HLYYVJSDSDMCAY-INIZCTEOSA-N 1 3 284.488 3.148 20 0 CGADHO CC[N@H+](CCCNC[C@H]1CCSC1)C1CCCCC1 ZINC000651910573 398305464 /nfs/dbraw/zinc/30/54/64/398305464.db2.gz ZMSBDOZGVGJYKK-OAHLLOKOSA-N 1 3 284.513 3.374 20 0 CGADHO CC[N@@H+](CCCNC[C@H]1CCSC1)C1CCCCC1 ZINC000651910573 398305468 /nfs/dbraw/zinc/30/54/68/398305468.db2.gz ZMSBDOZGVGJYKK-OAHLLOKOSA-N 1 3 284.513 3.374 20 0 CGADHO CC[N@H+](CCCN[C@H]1CCSC1)C1CCCCC1 ZINC000651910586 398305489 /nfs/dbraw/zinc/30/54/89/398305489.db2.gz ZTBCZJOKWRUVRH-AWEZNQCLSA-N 1 3 270.486 3.126 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CCSC1)C1CCCCC1 ZINC000651910586 398305490 /nfs/dbraw/zinc/30/54/90/398305490.db2.gz ZTBCZJOKWRUVRH-AWEZNQCLSA-N 1 3 270.486 3.126 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423459032 529453960 /nfs/dbraw/zinc/45/39/60/529453960.db2.gz HLRGSHYUQNVSNT-PWSUYJOCSA-N 1 3 288.407 3.432 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000423466422 529454038 /nfs/dbraw/zinc/45/40/38/529454038.db2.gz NMNSYQVNHOVTLZ-WBMJQRKESA-N 1 3 272.392 3.236 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000125787551 187200343 /nfs/dbraw/zinc/20/03/43/187200343.db2.gz WCGYZLMVIVQTOH-MAUKXSAKSA-N 1 3 272.436 3.384 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423473175 529568628 /nfs/dbraw/zinc/56/86/28/529568628.db2.gz QOMGZYXLOOQDLT-KGLIPLIRSA-N 1 3 252.789 3.118 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423475877 529568696 /nfs/dbraw/zinc/56/86/96/529568696.db2.gz SEVAFNPYRGSZPY-QZTJIDSGSA-N 1 3 268.404 3.297 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423459414 529568985 /nfs/dbraw/zinc/56/89/85/529568985.db2.gz HZABVGUIWSWKFV-ZIAGYGMSSA-N 1 3 286.341 3.483 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423475802 529569264 /nfs/dbraw/zinc/56/92/64/529569264.db2.gz SDNAONBFPIDCKV-BXKDBHETSA-N 1 3 260.303 3.093 20 0 CGADHO CC[C@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000423349002 529593881 /nfs/dbraw/zinc/59/38/81/529593881.db2.gz VNKAJXDQCLGDJG-NSHDSACASA-N 1 3 270.829 3.362 20 0 CGADHO CC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H](O)C(C)C ZINC000414305280 529584058 /nfs/dbraw/zinc/58/40/58/529584058.db2.gz WYGDYBPDTHRWNP-ZWKOTPCHSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(C)C ZINC000414305280 529584060 /nfs/dbraw/zinc/58/40/60/529584060.db2.gz WYGDYBPDTHRWNP-ZWKOTPCHSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535938 529654199 /nfs/dbraw/zinc/65/41/99/529654199.db2.gz YPLINRFGWDXYSJ-STQMWFEESA-N 1 3 252.427 3.306 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2ccc(F)cc2Cl)CC1(C)C ZINC000623417874 349803497 /nfs/dbraw/zinc/80/34/97/349803497.db2.gz VMAQILPFBKFVFP-AWEZNQCLSA-N 1 3 298.833 3.484 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2ccc(F)cc2Cl)CC1(C)C ZINC000623417874 349803502 /nfs/dbraw/zinc/80/35/02/349803502.db2.gz VMAQILPFBKFVFP-AWEZNQCLSA-N 1 3 298.833 3.484 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]CC(N)(CC)CC)s1 ZINC000423288062 529706164 /nfs/dbraw/zinc/70/61/64/529706164.db2.gz QHROUNBLMPVVEQ-LLVKDONJSA-N 1 3 254.443 3.479 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3ccoc32)C1 ZINC000449327860 529808489 /nfs/dbraw/zinc/80/84/89/529808489.db2.gz DCVVLVLVUQDVBX-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3ccoc32)C1 ZINC000449327860 529808490 /nfs/dbraw/zinc/80/84/90/529808490.db2.gz DCVVLVLVUQDVBX-WBVHZDCISA-N 1 3 284.403 3.349 20 0 CGADHO CC[C@@H](NCCOCC[NH+](C)C)c1ccc(Cl)s1 ZINC000351505050 219108037 /nfs/dbraw/zinc/10/80/37/219108037.db2.gz ZAQAWBISRFSFHT-LLVKDONJSA-N 1 3 290.860 3.020 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623607074 349848297 /nfs/dbraw/zinc/84/82/97/349848297.db2.gz VSSCMRAMPIZSRW-XSLAGTTESA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623607074 349848298 /nfs/dbraw/zinc/84/82/98/349848298.db2.gz VSSCMRAMPIZSRW-XSLAGTTESA-N 1 3 284.447 3.395 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000623657784 349859747 /nfs/dbraw/zinc/85/97/47/349859747.db2.gz YZDFJGWRJPNOGA-VOKGJARPSA-N 1 3 294.389 3.300 20 0 CGADHO CC(C)CC[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000623646606 349854642 /nfs/dbraw/zinc/85/46/42/349854642.db2.gz KFBVOLGHGGHYAF-QGZVFWFLSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)CC[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000623646606 349854644 /nfs/dbraw/zinc/85/46/44/349854644.db2.gz KFBVOLGHGGHYAF-QGZVFWFLSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[NH+](CCC)CCCN[C@H](C)[C@@H]1CCCCO1 ZINC000623886123 349905479 /nfs/dbraw/zinc/90/54/79/349905479.db2.gz SWCRTOVRRPRSFM-CVEARBPZSA-N 1 3 270.461 3.046 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423269517 530000121 /nfs/dbraw/zinc/00/01/21/530000121.db2.gz HBOKSCIBBSWGJO-NOLJZWGESA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423269517 530000122 /nfs/dbraw/zinc/00/01/22/530000122.db2.gz HBOKSCIBBSWGJO-NOLJZWGESA-N 1 3 280.843 3.421 20 0 CGADHO CCOc1ccccc1[C@@H](C)NCC1CC[NH+](CC)CC1 ZINC000044517445 345011463 /nfs/dbraw/zinc/01/14/63/345011463.db2.gz XVOVRFMJHIVTPR-OAHLLOKOSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(CC(C)C)CC1 ZINC000422928812 293260413 /nfs/dbraw/zinc/26/04/13/293260413.db2.gz MTNWYURIZLSAPD-ZDUSSCGKSA-N 1 3 275.440 3.326 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccncc1Cl ZINC000088781134 345765278 /nfs/dbraw/zinc/76/52/78/345765278.db2.gz BIZXGIIQOPQNKO-CYBMUJFWSA-N 1 3 283.847 3.335 20 0 CGADHO C[C@@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000093215516 345872717 /nfs/dbraw/zinc/87/27/17/345872717.db2.gz LLDBEDBLOOXQFK-SWHYSGLUSA-N 1 3 297.240 3.370 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC(C2CC2)C2CC2)c2ccccc21 ZINC000132154571 346070081 /nfs/dbraw/zinc/07/00/81/346070081.db2.gz PEVDWEKQMSDXHZ-IAGOWNOFSA-N 1 3 256.393 3.157 20 0 CGADHO [NH3+]CCC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000156093775 346156692 /nfs/dbraw/zinc/15/66/92/346156692.db2.gz OIYCQLQGIVKYPA-UHFFFAOYSA-N 1 3 268.351 3.185 20 0 CGADHO CCC[N@H+](Cc1ccccc1SC)C1CCNCC1 ZINC000167854582 346189176 /nfs/dbraw/zinc/18/91/76/346189176.db2.gz GWRWAMLOLOCJLW-UHFFFAOYSA-N 1 3 278.465 3.373 20 0 CGADHO CCC[N@@H+](Cc1ccccc1SC)C1CCNCC1 ZINC000167854582 346189177 /nfs/dbraw/zinc/18/91/77/346189177.db2.gz GWRWAMLOLOCJLW-UHFFFAOYSA-N 1 3 278.465 3.373 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138336 346436193 /nfs/dbraw/zinc/43/61/93/346436193.db2.gz NBOHJGHOJFWTML-RBSFLKMASA-N 1 3 252.446 3.131 20 0 CGADHO Cc1ccc(-c2cc(CN3CCC(CC[NH3+])CC3)on2)cc1 ZINC000315976605 346485111 /nfs/dbraw/zinc/48/51/11/346485111.db2.gz NQPUHZVOHNXWSO-UHFFFAOYSA-N 1 3 299.418 3.211 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000311466000 346473610 /nfs/dbraw/zinc/47/36/10/346473610.db2.gz XDCYMLZKKZPPML-CKEIUWERSA-N 1 3 258.409 3.166 20 0 CGADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466000 346473614 /nfs/dbraw/zinc/47/36/14/346473614.db2.gz XDCYMLZKKZPPML-CKEIUWERSA-N 1 3 258.409 3.166 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(OC(F)F)cc1 ZINC000584714654 346709489 /nfs/dbraw/zinc/70/94/89/346709489.db2.gz WOEBMMLPTLFVIJ-LSDHHAIUSA-N 1 3 298.377 3.080 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000584840245 346717949 /nfs/dbraw/zinc/71/79/49/346717949.db2.gz ROQSGDJFHDPWQT-UGSOOPFHSA-N 1 3 266.388 3.483 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCCCC1 ZINC000624120243 349976454 /nfs/dbraw/zinc/97/64/54/349976454.db2.gz UTDWASASFYAJHW-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121911 349980084 /nfs/dbraw/zinc/98/00/84/349980084.db2.gz FWJXLVDGQHGPTM-HOCLYGCPSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122742 349981216 /nfs/dbraw/zinc/98/12/16/349981216.db2.gz ZULFXRYUESZALC-VXGBXAGGSA-N 1 3 266.351 3.039 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121686 349980726 /nfs/dbraw/zinc/98/07/26/349980726.db2.gz BBGAXYDRHDINCL-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000624123180 349983175 /nfs/dbraw/zinc/98/31/75/349983175.db2.gz HIIQYEIYLYWLBH-HSBZDZAISA-N 1 3 274.399 3.132 20 0 CGADHO CN(CCc1ccccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000607358155 348235298 /nfs/dbraw/zinc/23/52/98/348235298.db2.gz IUMYEPCNXXZUJW-AWEZNQCLSA-N 1 3 280.843 3.156 20 0 CGADHO CN(CCc1ccccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358155 348235299 /nfs/dbraw/zinc/23/52/99/348235299.db2.gz IUMYEPCNXXZUJW-AWEZNQCLSA-N 1 3 280.843 3.156 20 0 CGADHO CSCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000611526287 348458820 /nfs/dbraw/zinc/45/88/20/348458820.db2.gz GTGZBRRKGRXSPU-BJWYYQGGSA-N 1 3 290.476 3.135 20 0 CGADHO CSCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000611526287 348458821 /nfs/dbraw/zinc/45/88/21/348458821.db2.gz GTGZBRRKGRXSPU-BJWYYQGGSA-N 1 3 290.476 3.135 20 0 CGADHO Cc1nn(C(C)C)cc1CNCCCCC[NH+]1CCCC1 ZINC000339496885 215208950 /nfs/dbraw/zinc/20/89/50/215208950.db2.gz FWIXCMCGRUOTPC-UHFFFAOYSA-N 1 3 292.471 3.128 20 0 CGADHO C[C@H](CO)CCC[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000358358426 233116104 /nfs/dbraw/zinc/11/61/04/233116104.db2.gz SIPHSTVJUCBUMS-BQFCYCMXSA-N 1 3 296.499 3.028 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628210059 350441159 /nfs/dbraw/zinc/44/11/59/350441159.db2.gz FOODHFTZYXQUBJ-IAGOWNOFSA-N 1 3 274.452 3.420 20 0 CGADHO Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000628425138 350535750 /nfs/dbraw/zinc/53/57/50/350535750.db2.gz BJIMKRBYLVFIDB-IRXDYDNUSA-N 1 3 274.452 3.420 20 0 CGADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425696 350537066 /nfs/dbraw/zinc/53/70/66/350537066.db2.gz SHAJADLNRUQLLK-WBVHZDCISA-N 1 3 290.451 3.035 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000629531348 350703695 /nfs/dbraw/zinc/70/36/95/350703695.db2.gz ICPRRSAIWHAERM-BRSBDYLESA-N 1 3 296.499 3.481 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CN1 ZINC000629535140 350705191 /nfs/dbraw/zinc/70/51/91/350705191.db2.gz CCRGSMOSVGZANX-QDEZUTFSSA-N 1 3 258.409 3.355 20 0 CGADHO Cc1ccccc1C[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000629536868 350705865 /nfs/dbraw/zinc/70/58/65/350705865.db2.gz GRSVUFJKTCXSOE-QGTPRVQTSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1ccc2ncc(CN3CCC[C@H](C)[C@@H]3CC[NH3+])cc2c1 ZINC000629537847 350705982 /nfs/dbraw/zinc/70/59/82/350705982.db2.gz LSQIGFKMPIUOCJ-KXBFYZLASA-N 1 3 297.446 3.493 20 0 CGADHO C[C@@H](NCCOCCC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000629540353 350706799 /nfs/dbraw/zinc/70/67/99/350706799.db2.gz OVPQVVXTHGKRLC-MRXNPFEDSA-N 1 3 298.430 3.370 20 0 CGADHO Cc1ccc2ncc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2c1 ZINC000629540483 350706819 /nfs/dbraw/zinc/70/68/19/350706819.db2.gz PNGZIJSUAQVZJI-MPGHIAIKSA-N 1 3 297.446 3.348 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CCCC12CC2 ZINC000629554926 350712066 /nfs/dbraw/zinc/71/20/66/350712066.db2.gz OTPVCBLEBJKWTG-TWMKSMIVSA-N 1 3 276.468 3.467 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1CC(F)(F)F ZINC000629554953 350712241 /nfs/dbraw/zinc/71/22/41/350712241.db2.gz OYZRYHWSORRZQC-TZMCWYRMSA-N 1 3 286.341 3.008 20 0 CGADHO CCC[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)OCC ZINC000629514572 350700121 /nfs/dbraw/zinc/70/01/21/350700121.db2.gz LMEIXYWRUSYDDW-BZUAXINKSA-N 1 3 270.461 3.092 20 0 CGADHO c1cnc2cccc(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2c1 ZINC000634687939 351573715 /nfs/dbraw/zinc/57/37/15/351573715.db2.gz DEPLHYPUFIFZMP-DNVCBOLYSA-N 1 3 295.430 3.199 20 0 CGADHO Cc1scc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1C ZINC000635020126 351632985 /nfs/dbraw/zinc/63/29/85/351632985.db2.gz JVUDVZXJOFIPQA-ZIAGYGMSSA-N 1 3 252.427 3.115 20 0 CGADHO Cc1scc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1C ZINC000635020123 351633091 /nfs/dbraw/zinc/63/30/91/351633091.db2.gz JVUDVZXJOFIPQA-KBPBESRZSA-N 1 3 252.427 3.115 20 0 CGADHO FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000635006217 351624483 /nfs/dbraw/zinc/62/44/83/351624483.db2.gz BEHWZYHBJVLXGA-KDOFPFPSSA-N 1 3 290.426 3.340 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635009948 351628374 /nfs/dbraw/zinc/62/83/74/351628374.db2.gz XSBBOMVQCYZLIG-ZBFHGGJFSA-N 1 3 288.460 3.229 20 0 CGADHO C[C@H](Cc1cccs1)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635009948 351628377 /nfs/dbraw/zinc/62/83/77/351628377.db2.gz XSBBOMVQCYZLIG-ZBFHGGJFSA-N 1 3 288.460 3.229 20 0 CGADHO Cc1cccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000635011566 351630021 /nfs/dbraw/zinc/63/00/21/351630021.db2.gz QUEUORSYYMHJML-HNNXBMFYSA-N 1 3 280.415 3.492 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012163 351630708 /nfs/dbraw/zinc/63/07/08/351630708.db2.gz RFZBZCDIOVQRKK-KGLIPLIRSA-N 1 3 280.481 3.437 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1OCCN(C)C ZINC000122284261 187024612 /nfs/dbraw/zinc/02/46/12/187024612.db2.gz ZYNIYPWUHMGJBO-GJZGRUSLSA-N 1 3 278.440 3.151 20 0 CGADHO C[NH+](C)CCCC1CCN(Cc2ccccc2F)CC1 ZINC000123347139 187086196 /nfs/dbraw/zinc/08/61/96/187086196.db2.gz WBVVCAASPXNUDZ-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO C[NH+](C)CCCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000123399817 187089406 /nfs/dbraw/zinc/08/94/06/187089406.db2.gz LBGQSQQGBITUAE-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000271621674 191246480 /nfs/dbraw/zinc/24/64/80/191246480.db2.gz YPNARRYBNLUBCL-HOTGVXAUSA-N 1 3 275.440 3.161 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292141275 198179556 /nfs/dbraw/zinc/17/95/56/198179556.db2.gz MKSCYZVNZXWXSH-RDJZCZTQSA-N 1 3 258.409 3.084 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292141275 198179557 /nfs/dbraw/zinc/17/95/57/198179557.db2.gz MKSCYZVNZXWXSH-RDJZCZTQSA-N 1 3 258.409 3.084 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000152397334 188015275 /nfs/dbraw/zinc/01/52/75/188015275.db2.gz NIIZQDZXRJGAIB-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397334 188015276 /nfs/dbraw/zinc/01/52/76/188015276.db2.gz NIIZQDZXRJGAIB-HZPDHXFCSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H](C)c1ccccc1 ZINC000271891772 191393333 /nfs/dbraw/zinc/39/33/33/191393333.db2.gz SCYWINWGEGUFMZ-HUUCEWRRSA-N 1 3 258.409 3.030 20 0 CGADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000271850074 191367122 /nfs/dbraw/zinc/36/71/22/191367122.db2.gz INRALJCQDXCQDW-LLVKDONJSA-N 1 3 282.790 3.392 20 0 CGADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(F)c(Cl)c1 ZINC000271850074 191367125 /nfs/dbraw/zinc/36/71/25/191367125.db2.gz INRALJCQDXCQDW-LLVKDONJSA-N 1 3 282.790 3.392 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191358 235359189 /nfs/dbraw/zinc/35/91/89/235359189.db2.gz SKLVSIFFRAWFAO-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc(F)cc(F)c1 ZINC000414191358 235359190 /nfs/dbraw/zinc/35/91/90/235359190.db2.gz SKLVSIFFRAWFAO-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCc2ccccc21 ZINC000422732868 235910595 /nfs/dbraw/zinc/91/05/95/235910595.db2.gz PQEBVLWLIVJZPL-XYPHTWIQSA-N 1 3 258.409 3.042 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000423152455 235983009 /nfs/dbraw/zinc/98/30/09/235983009.db2.gz FCQCFPQUOLBWBU-MHORFTMASA-N 1 3 272.436 3.287 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423223732 236000385 /nfs/dbraw/zinc/00/03/85/236000385.db2.gz HKGQIXDLSUEPSU-IINYFYTJSA-N 1 3 252.789 3.118 20 0 CGADHO CCOc1ccc([C@H](CC)NCC[C@H](C)[NH3+])cc1OCC ZINC000423227027 236001954 /nfs/dbraw/zinc/00/19/54/236001954.db2.gz TZMLZYHAYAPNKM-ZFWWWQNUSA-N 1 3 294.439 3.262 20 0 CGADHO Cc1cc([C@H]([NH2+]CC2(N)CCC2)C2CC2)ccc1F ZINC000423317098 236035785 /nfs/dbraw/zinc/03/57/85/236035785.db2.gz CDFPHFOWLJIVIT-OAHLLOKOSA-N 1 3 262.372 3.056 20 0 CGADHO C[C@@]1(C[NH2+][C@@H]2CCCC23CCCC3)CCCNC1 ZINC000423342422 236044566 /nfs/dbraw/zinc/04/45/66/236044566.db2.gz NBNAOKGYNCVQSU-HUUCEWRRSA-N 1 3 250.430 3.079 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C2CC2)cc1 ZINC000423386601 236058763 /nfs/dbraw/zinc/05/87/63/236058763.db2.gz LZNJWDFNVMCGGU-SQNIBIBYSA-N 1 3 272.436 3.176 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423392635 236061415 /nfs/dbraw/zinc/06/14/15/236061415.db2.gz XXAZFRZQFFHLSY-NFAWXSAZSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423392635 236061417 /nfs/dbraw/zinc/06/14/17/236061417.db2.gz XXAZFRZQFFHLSY-NFAWXSAZSA-N 1 3 272.392 3.094 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000423393531 236061993 /nfs/dbraw/zinc/06/19/93/236061993.db2.gz YRLCBQSDDSXKIM-IIYDPXPESA-N 1 3 258.409 3.355 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000423357775 236048958 /nfs/dbraw/zinc/04/89/58/236048958.db2.gz ARBYQFYNLJDDMA-LZDZAVHKSA-N 1 3 288.435 3.047 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)NCC[C@H]1CCC[NH2+]1 ZINC000423359437 236049042 /nfs/dbraw/zinc/04/90/42/236049042.db2.gz PFWGJORCXRSMHK-CHWSQXEVSA-N 1 3 282.378 3.018 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC1 ZINC000423359219 236049604 /nfs/dbraw/zinc/04/96/04/236049604.db2.gz CYLKXHACBWLJQZ-BZSNNMDCSA-N 1 3 272.436 3.176 20 0 CGADHO C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cccc(Br)c1 ZINC000423362596 236050550 /nfs/dbraw/zinc/05/05/50/236050550.db2.gz NCLZXSRDPQVNIU-MJVIPROJSA-N 1 3 297.240 3.098 20 0 CGADHO c1ccc([C@H]2CC[C@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423362217 236050922 /nfs/dbraw/zinc/05/09/22/236050922.db2.gz MXVDCEBMPFAJOL-BBWFWOEESA-N 1 3 258.409 3.054 20 0 CGADHO Fc1cncc([C@@H](NCc2ccc3c(c2)C[NH2+]C3)C2CC2)c1 ZINC000423365291 236051641 /nfs/dbraw/zinc/05/16/41/236051641.db2.gz BAFTVHLDOUKBOM-SFHVURJKSA-N 1 3 297.377 3.065 20 0 CGADHO FC(F)C1CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000423502855 236088447 /nfs/dbraw/zinc/08/84/47/236088447.db2.gz FGJGUMYWIBMSOA-SSHXOBKSSA-N 1 3 294.389 3.156 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000424335231 236152435 /nfs/dbraw/zinc/15/24/35/236152435.db2.gz OZDJZBXBDQQVTP-IAGOWNOFSA-N 1 3 284.403 3.078 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000424353558 236155539 /nfs/dbraw/zinc/15/55/39/236155539.db2.gz PDWRAYGQPCHDQR-LLLHUVSDSA-N 1 3 288.435 3.076 20 0 CGADHO C[C@H](NC1CCC([NH+](C)C)CC1)c1ccncc1Cl ZINC000421878704 299270424 /nfs/dbraw/zinc/27/04/24/299270424.db2.gz NTXWIWCEDHVZPC-HIFPTAJRSA-N 1 3 281.831 3.258 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)c1ccccn1 ZINC000423143137 296001473 /nfs/dbraw/zinc/00/14/73/296001473.db2.gz CKXVMYLGTNIHNX-JKSUJKDBSA-N 1 3 289.467 3.260 20 0 CGADHO CN(CCc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000298209979 200361637 /nfs/dbraw/zinc/36/16/37/200361637.db2.gz YYLKPBAUZVSYKQ-SJPCQFCGSA-N 1 3 292.854 3.440 20 0 CGADHO CN(CCc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000298209979 200361638 /nfs/dbraw/zinc/36/16/38/200361638.db2.gz YYLKPBAUZVSYKQ-SJPCQFCGSA-N 1 3 292.854 3.440 20 0 CGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cc[nH]c1 ZINC000177848495 189074519 /nfs/dbraw/zinc/07/45/19/189074519.db2.gz PVIDIUZNASANRE-HZPDHXFCSA-N 1 3 297.446 3.261 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(Br)cc1 ZINC000342117213 216223482 /nfs/dbraw/zinc/22/34/82/216223482.db2.gz CTDVITGGDICTPQ-CYBMUJFWSA-N 1 3 297.240 3.371 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173868 189290231 /nfs/dbraw/zinc/29/02/31/189290231.db2.gz NYEXTTMYZKYNOU-UMVBOHGHSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1cccc(Cl)c1 ZINC000181173868 189290232 /nfs/dbraw/zinc/29/02/32/189290232.db2.gz NYEXTTMYZKYNOU-UMVBOHGHSA-N 1 3 296.842 3.180 20 0 CGADHO CC[N@@H+]1CCCN(c2c(C)c(C)nc3ccccc32)CC1 ZINC000302063265 201326739 /nfs/dbraw/zinc/32/67/39/201326739.db2.gz DCPWYKUFAUGAIE-UHFFFAOYSA-N 1 3 283.419 3.384 20 0 CGADHO CC[N@H+]1CCCN(c2c(C)c(C)nc3ccccc32)CC1 ZINC000302063265 201326743 /nfs/dbraw/zinc/32/67/43/201326743.db2.gz DCPWYKUFAUGAIE-UHFFFAOYSA-N 1 3 283.419 3.384 20 0 CGADHO C[C@H](O)CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449154573 239207498 /nfs/dbraw/zinc/20/74/98/239207498.db2.gz NPCUYQYZHKGWIW-AWEZNQCLSA-N 1 3 284.488 3.026 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(CCc2ccc(Cl)cc2)CC1 ZINC000450855110 240121893 /nfs/dbraw/zinc/12/18/93/240121893.db2.gz LOTVDPQGOJSTON-MRXNPFEDSA-N 1 3 280.843 3.299 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)CC1 ZINC000450855110 240121896 /nfs/dbraw/zinc/12/18/96/240121896.db2.gz LOTVDPQGOJSTON-MRXNPFEDSA-N 1 3 280.843 3.299 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC000450855110 240121902 /nfs/dbraw/zinc/12/19/02/240121902.db2.gz LOTVDPQGOJSTON-MRXNPFEDSA-N 1 3 280.843 3.299 20 0 CGADHO COC[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCCC1 ZINC000275725780 193113361 /nfs/dbraw/zinc/11/33/61/193113361.db2.gz PAIDARJIKIZKRB-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCCCC1 ZINC000423391841 283936985 /nfs/dbraw/zinc/93/69/85/283936985.db2.gz LEBDZHUFDDFFTB-BMFZPTHFSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000462373118 242340679 /nfs/dbraw/zinc/34/06/79/242340679.db2.gz UXXADGFBAUIAHT-UHFFFAOYSA-N 1 3 283.419 3.333 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1nccc2ccccc21 ZINC000423376330 299380901 /nfs/dbraw/zinc/38/09/01/299380901.db2.gz VAWOUHRAOOAMEX-AEGPPILISA-N 1 3 269.392 3.155 20 0 CGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C(C)(C)C ZINC000423532349 296118371 /nfs/dbraw/zinc/11/83/71/296118371.db2.gz VHDISAXLXOECFR-VQGSXZNQSA-N 1 3 264.457 3.164 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120700 243094444 /nfs/dbraw/zinc/09/44/44/243094444.db2.gz UCGXLPMAMUNPCS-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256598 243329590 /nfs/dbraw/zinc/32/95/90/243329590.db2.gz YCEBHVOJICQVHA-OAHLLOKOSA-N 1 3 280.843 3.156 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256598 243329593 /nfs/dbraw/zinc/32/95/93/243329593.db2.gz YCEBHVOJICQVHA-OAHLLOKOSA-N 1 3 280.843 3.156 20 0 CGADHO C[NH+](C)CCCOc1ccc(CN2CCCCC2)cc1 ZINC000013526531 368656443 /nfs/dbraw/zinc/65/64/43/368656443.db2.gz QUUUOVGZDVVVGL-UHFFFAOYSA-N 1 3 276.424 3.003 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000020143139 368805335 /nfs/dbraw/zinc/80/53/35/368805335.db2.gz DUNRMBZNRRMVCX-GXTWGEPZSA-N 1 3 252.446 3.464 20 0 CGADHO CC(C)Oc1cccc([C@H](C)NC2CC[NH+](C)CC2)c1 ZINC000036997312 369049101 /nfs/dbraw/zinc/04/91/01/369049101.db2.gz SIMIPRXBNHEBSO-AWEZNQCLSA-N 1 3 276.424 3.219 20 0 CGADHO CC[NH+](CC)CCCNC1CC(c2ccccc2F)C1 ZINC000036842391 369033000 /nfs/dbraw/zinc/03/30/00/369033000.db2.gz ZWIOSUFKOFGXPB-UHFFFAOYSA-N 1 3 278.415 3.393 20 0 CGADHO CCN(CC)CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036842391 369033007 /nfs/dbraw/zinc/03/30/07/369033007.db2.gz ZWIOSUFKOFGXPB-UHFFFAOYSA-N 1 3 278.415 3.393 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000036961218 369043146 /nfs/dbraw/zinc/04/31/46/369043146.db2.gz QTNBSNOMEBKZGT-WZYMTQMTSA-N 1 3 288.435 3.279 20 0 CGADHO COc1ccccc1C[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000037229313 369079168 /nfs/dbraw/zinc/07/91/68/369079168.db2.gz MNJVNTGZPTUMNB-MRXNPFEDSA-N 1 3 290.451 3.092 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000037713273 369100172 /nfs/dbraw/zinc/10/01/72/369100172.db2.gz HLXNPQCYNIXGCX-OAHLLOKOSA-N 1 3 284.403 3.265 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)CN1CCCCC1 ZINC000037997625 369136654 /nfs/dbraw/zinc/13/66/54/369136654.db2.gz MGZVZTGDCCEDEC-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](C[NH2+]C1CCC(C)CC1)CN1CCCCC1 ZINC000038041644 369141945 /nfs/dbraw/zinc/14/19/45/369141945.db2.gz QRMVHOREGTWWHB-PCKAHOCUSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000041631613 369193512 /nfs/dbraw/zinc/19/35/12/369193512.db2.gz HFHGDZLDQSYRBX-STQMWFEESA-N 1 3 278.465 3.445 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631613 369193517 /nfs/dbraw/zinc/19/35/17/369193517.db2.gz HFHGDZLDQSYRBX-STQMWFEESA-N 1 3 278.465 3.445 20 0 CGADHO CCc1ccc([C@H](C)NC2CC[NH+](CC)CC2)s1 ZINC000041632157 369194547 /nfs/dbraw/zinc/19/45/47/369194547.db2.gz CRSTXOCVFVWKAT-LBPRGKRZSA-N 1 3 266.454 3.445 20 0 CGADHO CC[C@H](CN[C@H](C)[C@@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889221 244252080 /nfs/dbraw/zinc/25/20/80/244252080.db2.gz SQMDXCQHBYNCSP-KBAYOESNSA-N 1 3 290.451 3.227 20 0 CGADHO c1sc2ccccc2c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000047892368 369329725 /nfs/dbraw/zinc/32/97/25/369329725.db2.gz IDZRGARLZYLXKG-CYBMUJFWSA-N 1 3 286.444 3.475 20 0 CGADHO c1sc2ccccc2c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000047892368 369329727 /nfs/dbraw/zinc/32/97/27/369329727.db2.gz IDZRGARLZYLXKG-CYBMUJFWSA-N 1 3 286.444 3.475 20 0 CGADHO c1sc2ccccc2c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000047892368 369329730 /nfs/dbraw/zinc/32/97/30/369329730.db2.gz IDZRGARLZYLXKG-CYBMUJFWSA-N 1 3 286.444 3.475 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000053659004 369487868 /nfs/dbraw/zinc/48/78/68/369487868.db2.gz UMAZZQSPGGTXMD-UHFFFAOYSA-N 1 3 266.816 3.162 20 0 CGADHO CC[NH2+]CC1CCN(c2ccnc3ccccc32)CC1 ZINC000053664517 369488486 /nfs/dbraw/zinc/48/84/86/369488486.db2.gz IOZSBHSMHMWPMI-UHFFFAOYSA-N 1 3 269.392 3.061 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1cccs1)CN1CCCC1 ZINC000062077882 369617886 /nfs/dbraw/zinc/61/78/86/369617886.db2.gz SFPOMUDMVFMPDN-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO Cc1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000062077930 369618061 /nfs/dbraw/zinc/61/80/61/369618061.db2.gz JPKMDIUTBJNLGB-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000062077930 369618062 /nfs/dbraw/zinc/61/80/62/369618062.db2.gz JPKMDIUTBJNLGB-HOTGVXAUSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000062077752 369618247 /nfs/dbraw/zinc/61/82/47/369618247.db2.gz NOMWPSNRMKKQSB-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1ccc(OC)cc1 ZINC000062077752 369618250 /nfs/dbraw/zinc/61/82/50/369618250.db2.gz NOMWPSNRMKKQSB-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO c1cc(N2CCC(C[NH2+]C(C3CC3)C3CC3)CC2)ccn1 ZINC000089214575 370038989 /nfs/dbraw/zinc/03/89/89/370038989.db2.gz OWVNTQAMXUPPFT-UHFFFAOYSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@H]1CCC[C@@H](CN2CCC([NH+]3CCCC3)CC2)C1 ZINC000092794294 370100071 /nfs/dbraw/zinc/10/00/71/370100071.db2.gz OSWBDOQTYNDCAW-JKSUJKDBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCC[C@@H](C[NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092794294 370100078 /nfs/dbraw/zinc/10/00/78/370100078.db2.gz OSWBDOQTYNDCAW-JKSUJKDBSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC(C)(C)CN(C)C ZINC000132119951 371152866 /nfs/dbraw/zinc/15/28/66/371152866.db2.gz NNOIVAYOMCBNLQ-MRXNPFEDSA-N 1 3 290.451 3.386 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000135610151 371440047 /nfs/dbraw/zinc/44/00/47/371440047.db2.gz ZRSPQWFVXHHCGB-IRXDYDNUSA-N 1 3 260.425 3.112 20 0 CGADHO C[C@H]([NH2+]C1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000151239836 371584400 /nfs/dbraw/zinc/58/44/00/371584400.db2.gz NKIUXPSQASCFKA-AWEZNQCLSA-N 1 3 276.424 3.220 20 0 CGADHO COCC[N@H+](C)CCCN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000152884711 371732499 /nfs/dbraw/zinc/73/24/99/371732499.db2.gz NVIZXIAQOITRBT-WBVHZDCISA-N 1 3 290.451 3.101 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000152884711 371732503 /nfs/dbraw/zinc/73/25/03/371732503.db2.gz NVIZXIAQOITRBT-WBVHZDCISA-N 1 3 290.451 3.101 20 0 CGADHO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000421876753 371693634 /nfs/dbraw/zinc/69/36/34/371693634.db2.gz JYWSLNHSJBHPPK-CABCVRRESA-N 1 3 278.440 3.324 20 0 CGADHO CC(C)[C@@H](CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422561718 371750355 /nfs/dbraw/zinc/75/03/55/371750355.db2.gz MXVMZDAVEQTFGR-QGZVFWFLSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1CN ZINC000422564155 371753000 /nfs/dbraw/zinc/75/30/00/371753000.db2.gz VOLDZJSFVUPTPI-SRIISGBFSA-N 1 3 272.436 3.095 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1CN ZINC000422564155 371753008 /nfs/dbraw/zinc/75/30/08/371753008.db2.gz VOLDZJSFVUPTPI-SRIISGBFSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])c(C)c1 ZINC000422708430 371761760 /nfs/dbraw/zinc/76/17/60/371761760.db2.gz XNJOELMOZJKAJV-SJORKVTESA-N 1 3 260.425 3.096 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](COc1ccccc1F)C(C)(C)C ZINC000422708527 371761827 /nfs/dbraw/zinc/76/18/27/371761827.db2.gz JAJWLNBDXHZMQX-WOSRLPQWSA-N 1 3 296.430 3.335 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000422709941 371763988 /nfs/dbraw/zinc/76/39/88/371763988.db2.gz ZYGINDKFKBYSBM-SGMGOOAPSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cc(Cl)cc(Cl)c1 ZINC000422717016 371764876 /nfs/dbraw/zinc/76/48/76/371764876.db2.gz NYGXVVWCZDTKOM-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422717016 371764882 /nfs/dbraw/zinc/76/48/82/371764882.db2.gz NYGXVVWCZDTKOM-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000422728886 371769542 /nfs/dbraw/zinc/76/95/42/371769542.db2.gz JTWBPQOBWXEBBE-PVXIVEMSSA-N 1 3 261.413 3.078 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccc(F)cc1Cl ZINC000422737926 371776681 /nfs/dbraw/zinc/77/66/81/371776681.db2.gz XXWRKDSGBRZTDQ-MNOVXSKESA-N 1 3 286.822 3.472 20 0 CGADHO Cc1ccc(C)c([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422748575 371782298 /nfs/dbraw/zinc/78/22/98/371782298.db2.gz VDZDBRPYHJQHCR-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)c1 ZINC000422748575 371782305 /nfs/dbraw/zinc/78/23/05/371782305.db2.gz VDZDBRPYHJQHCR-PMPSAXMXSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000422820240 371829593 /nfs/dbraw/zinc/82/95/93/371829593.db2.gz PPDSRVQYKSYSSF-IGQOVBAYSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1Cl ZINC000422836213 371832536 /nfs/dbraw/zinc/83/25/36/371832536.db2.gz JPQINBHLBFMNBP-NFAWXSAZSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Oc1ccccc1Cl ZINC000422836213 371832546 /nfs/dbraw/zinc/83/25/46/371832546.db2.gz JPQINBHLBFMNBP-NFAWXSAZSA-N 1 3 296.842 3.214 20 0 CGADHO [NH3+]CC1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000422772035 371797527 /nfs/dbraw/zinc/79/75/27/371797527.db2.gz XZQBNKGALTWSFT-KVWWFHCMSA-N 1 3 295.430 3.278 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018310 371810139 /nfs/dbraw/zinc/81/01/39/371810139.db2.gz QJIUNUJISQWLOK-DYVFJYSZSA-N 1 3 296.405 3.169 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000154018310 371810147 /nfs/dbraw/zinc/81/01/47/371810147.db2.gz QJIUNUJISQWLOK-DYVFJYSZSA-N 1 3 296.405 3.169 20 0 CGADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422803638 371819216 /nfs/dbraw/zinc/81/92/16/371819216.db2.gz DCZCDOKEGSFFPU-YESZJQIVSA-N 1 3 296.499 3.076 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000422873615 371848326 /nfs/dbraw/zinc/84/83/26/371848326.db2.gz ATDASHOOXUDNCE-HOTGVXAUSA-N 1 3 298.430 3.481 20 0 CGADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1nc2c(s1)CCCC2 ZINC000422909381 371862989 /nfs/dbraw/zinc/86/29/89/371862989.db2.gz FTECFAHZIVZSGK-NWDGAFQWSA-N 1 3 281.469 3.190 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000422914904 371865192 /nfs/dbraw/zinc/86/51/92/371865192.db2.gz WKVABSLRJZCLKP-OXIQGZBJSA-N 1 3 284.831 3.131 20 0 CGADHO C[C@H](NCC(C)(C)c1c(F)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000422922228 371872132 /nfs/dbraw/zinc/87/21/32/371872132.db2.gz SGMMEYMDVJGZKI-NWDGAFQWSA-N 1 3 298.833 3.344 20 0 CGADHO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)cc1 ZINC000422925422 371873785 /nfs/dbraw/zinc/87/37/85/371873785.db2.gz VCXZYYAWEKNRRQ-OALUTQOASA-N 1 3 296.414 3.332 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C)CCCCC1 ZINC000422924356 371874410 /nfs/dbraw/zinc/87/44/10/371874410.db2.gz ARRKRXNXXMWKEV-ZDUSSCGKSA-N 1 3 275.440 3.470 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422932564 371878744 /nfs/dbraw/zinc/87/87/44/371878744.db2.gz ZNKZPOCRZWURSS-SJLPKXTDSA-N 1 3 286.463 3.377 20 0 CGADHO CC(C)c1ccc(OCCN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422934722 371879883 /nfs/dbraw/zinc/87/98/83/371879883.db2.gz CYVFCUHCBGFXQK-YJBOKZPZSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccccc1-c1ccccc1 ZINC000422943283 371883590 /nfs/dbraw/zinc/88/35/90/371883590.db2.gz XVHUTSQLRJKAEY-CVEARBPZSA-N 1 3 298.430 3.448 20 0 CGADHO CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1Cl ZINC000422842752 371835939 /nfs/dbraw/zinc/83/59/39/371835939.db2.gz ZHQOUCOILYKUNN-RWMBFGLXSA-N 1 3 284.831 3.213 20 0 CGADHO C[C@@H](N[C@H](CC(C)(C)C)c1ccccc1)C1C[NH2+]C1 ZINC000422852779 371840105 /nfs/dbraw/zinc/84/01/05/371840105.db2.gz BHIYDJMXYMYCAT-CZUORRHYSA-N 1 3 260.425 3.361 20 0 CGADHO Cc1ccccc1C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422857568 371842543 /nfs/dbraw/zinc/84/25/43/371842543.db2.gz GZGJACYLZQWENB-XYPWUTKMSA-N 1 3 272.436 3.145 20 0 CGADHO Fc1ccc(C2(C[NH2+]C3CCNCC3)CCCC2)c(F)c1 ZINC000423048888 371934569 /nfs/dbraw/zinc/93/45/69/371934569.db2.gz AIVRDVTWZDTXJM-UHFFFAOYSA-N 1 3 294.389 3.118 20 0 CGADHO Fc1ccc(C2(CNC3CC[NH2+]CC3)CCCC2)c(F)c1 ZINC000423048888 371934574 /nfs/dbraw/zinc/93/45/74/371934574.db2.gz AIVRDVTWZDTXJM-UHFFFAOYSA-N 1 3 294.389 3.118 20 0 CGADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000422947176 371887256 /nfs/dbraw/zinc/88/72/56/371887256.db2.gz PYJRYPBRKCQYRW-RDBSUJKOSA-N 1 3 296.480 3.139 20 0 CGADHO CC(C)(C)c1ccccc1OCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422952952 371888653 /nfs/dbraw/zinc/88/86/53/371888653.db2.gz DMAXBORNNQDPGT-GDBMZVCRSA-N 1 3 290.451 3.080 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(F)cc1Cl ZINC000422953927 371891628 /nfs/dbraw/zinc/89/16/28/371891628.db2.gz HADDVISYNIAVEA-GJZGRUSLSA-N 1 3 284.806 3.271 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422960423 371893136 /nfs/dbraw/zinc/89/31/36/371893136.db2.gz WHHIMGIUFHVZKG-DOTOQJQBSA-N 1 3 290.451 3.167 20 0 CGADHO CC[C@@H](CSc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422997739 371908718 /nfs/dbraw/zinc/90/87/18/371908718.db2.gz BSCMJFJPGRYOJT-LSVZVQIISA-N 1 3 290.476 3.430 20 0 CGADHO CC(C)CSCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423012737 371914214 /nfs/dbraw/zinc/91/42/14/371914214.db2.gz LFRGROAUARBWES-XHSDSOJGSA-N 1 3 284.513 3.276 20 0 CGADHO Cc1cc([C@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423018749 371918939 /nfs/dbraw/zinc/91/89/39/371918939.db2.gz ZOLSCRFZEFAOSR-XGWLTEMNSA-N 1 3 276.399 3.173 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423021109 371920669 /nfs/dbraw/zinc/92/06/69/371920669.db2.gz BHGPFLIEIXCCMX-CABCVRRESA-N 1 3 252.446 3.325 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](c1ccccc1)C(F)(F)F ZINC000423065651 371944339 /nfs/dbraw/zinc/94/43/39/371944339.db2.gz VEWMRNRTKQTSKB-IHRRRGAJSA-N 1 3 286.341 3.050 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000423095243 371960592 /nfs/dbraw/zinc/96/05/92/371960592.db2.gz LTDVRWGJQCZQKZ-GVDBMIGSSA-N 1 3 282.472 3.092 20 0 CGADHO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000423095243 371960598 /nfs/dbraw/zinc/96/05/98/371960598.db2.gz LTDVRWGJQCZQKZ-GVDBMIGSSA-N 1 3 282.472 3.092 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1C(C)(C)C1(C)C ZINC000423100277 371963642 /nfs/dbraw/zinc/96/36/42/371963642.db2.gz UZUOEGKBYIRJLT-NSHDSACASA-N 1 3 275.440 3.182 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423099860 371963829 /nfs/dbraw/zinc/96/38/29/371963829.db2.gz BBVZBLVEBLEGNA-JHJVBQTASA-N 1 3 290.373 3.229 20 0 CGADHO CCOc1cccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000290348605 371969544 /nfs/dbraw/zinc/96/95/44/371969544.db2.gz FXCAECDXHVUQOX-FUHWJXTLSA-N 1 3 288.435 3.001 20 0 CGADHO CCOc1cccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000290348605 371969551 /nfs/dbraw/zinc/96/95/51/371969551.db2.gz FXCAECDXHVUQOX-FUHWJXTLSA-N 1 3 288.435 3.001 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353130 371970847 /nfs/dbraw/zinc/97/08/47/371970847.db2.gz GETOCYGKABTDJD-CRAIPNDOSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3[nH]ccc32)C1 ZINC000290353130 371970857 /nfs/dbraw/zinc/97/08/57/371970857.db2.gz GETOCYGKABTDJD-CRAIPNDOSA-N 1 3 283.419 3.084 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122413 371977297 /nfs/dbraw/zinc/97/72/97/371977297.db2.gz KPUSOMDRFRECSP-XMTFNYHQSA-N 1 3 288.435 3.156 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000423130395 371982816 /nfs/dbraw/zinc/98/28/16/371982816.db2.gz SCNKZURMGUIATQ-IXDOHACOSA-N 1 3 296.499 3.340 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173222 372002437 /nfs/dbraw/zinc/00/24/37/372002437.db2.gz XMOZCILCCPNHJP-YIKOMLBNSA-N 1 3 296.817 3.313 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000423137786 371986444 /nfs/dbraw/zinc/98/64/44/371986444.db2.gz RNMGBQMZKCPMTD-LBPRGKRZSA-N 1 3 275.440 3.326 20 0 CGADHO C=Cc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423138642 371986681 /nfs/dbraw/zinc/98/66/81/371986681.db2.gz JNGWCFMZKSCZDN-SJORKVTESA-N 1 3 258.409 3.122 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000423137785 371986804 /nfs/dbraw/zinc/98/68/04/371986804.db2.gz RNMGBQMZKCPMTD-GFCCVEGCSA-N 1 3 275.440 3.326 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423142523 371989094 /nfs/dbraw/zinc/98/90/94/371989094.db2.gz AKPRAFNBNLJTEQ-HFTRVMKXSA-N 1 3 272.436 3.084 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423144456 371990460 /nfs/dbraw/zinc/99/04/60/371990460.db2.gz GYUCGYDRFUCNDD-GTTSAUCSSA-N 1 3 280.362 3.059 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423167042 371999736 /nfs/dbraw/zinc/99/97/36/371999736.db2.gz RVCSEYHKHTXKFW-LEUOFYLZSA-N 1 3 274.452 3.359 20 0 CGADHO C[C@](O)(C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C1CCCCC1 ZINC000423070168 371946042 /nfs/dbraw/zinc/94/60/42/371946042.db2.gz FRDWBGQVYWAION-SQNIBIBYSA-N 1 3 288.435 3.052 20 0 CGADHO Cc1ccc(C2(CN[C@@H](C)[C@H]3CC[NH2+]C3)CCC2)cc1C ZINC000423081260 371952835 /nfs/dbraw/zinc/95/28/35/371952835.db2.gz CKRVQDQJJVLADU-IRXDYDNUSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1c2ccccc2n(C)c1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423088605 371956717 /nfs/dbraw/zinc/95/67/17/371956717.db2.gz SJARXKNVVBIRHO-ZBFHGGJFSA-N 1 3 285.435 3.094 20 0 CGADHO Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000423191526 372016432 /nfs/dbraw/zinc/01/64/32/372016432.db2.gz UKIXGCZURYEVQI-YOEHRIQHSA-N 1 3 292.854 3.393 20 0 CGADHO NC1(C[NH2+][C@@H]2CCc3ccccc3OC2)CCCCCC1 ZINC000423202847 372026277 /nfs/dbraw/zinc/02/62/77/372026277.db2.gz RLGYLFKARZXBTO-MRXNPFEDSA-N 1 3 288.435 3.022 20 0 CGADHO C[NH2+]CCCN[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423203206 372026714 /nfs/dbraw/zinc/02/67/14/372026714.db2.gz RWLWFVQGCPQMML-MRXNPFEDSA-N 1 3 282.431 3.406 20 0 CGADHO CNCCC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423203206 372026722 /nfs/dbraw/zinc/02/67/22/372026722.db2.gz RWLWFVQGCPQMML-MRXNPFEDSA-N 1 3 282.431 3.406 20 0 CGADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208396 372030325 /nfs/dbraw/zinc/03/03/25/372030325.db2.gz HVTDMFWZIIHHAA-JKSUJKDBSA-N 1 3 295.430 3.399 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423209388 372032803 /nfs/dbraw/zinc/03/28/03/372032803.db2.gz FDGSVGJDMJFJRQ-UMVBOHGHSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423212471 372034696 /nfs/dbraw/zinc/03/46/96/372034696.db2.gz LZIXBMZANQLORV-QNWHQSFQSA-N 1 3 298.883 3.483 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423398289 372060910 /nfs/dbraw/zinc/06/09/10/372060910.db2.gz UHULRCPUVSUERJ-ORAYPTAESA-N 1 3 278.399 3.313 20 0 CGADHO COc1ccc([C@@H](Cc2ccccc2)NCC[C@H](C)[NH3+])cc1 ZINC000423226169 372041683 /nfs/dbraw/zinc/04/16/83/372041683.db2.gz PQKYUWHJZCFACM-HNAYVOBHSA-N 1 3 298.430 3.306 20 0 CGADHO COc1ccc([C@@H](C)N[C@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279033 372046798 /nfs/dbraw/zinc/04/67/98/372046798.db2.gz QVTZTFUQWKMPLM-SJKOYZFVSA-N 1 3 284.403 3.236 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N)c2cccc(Br)c21 ZINC000423281489 372048249 /nfs/dbraw/zinc/04/82/49/372048249.db2.gz BJYVTQVEDIBTEC-JOYOIKCWSA-N 1 3 297.240 3.324 20 0 CGADHO CCc1ccc([C@H](CC)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423408112 372061761 /nfs/dbraw/zinc/06/17/61/372061761.db2.gz WZKRSJHFYOBXHX-COXVUDFISA-N 1 3 260.425 3.288 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000423408112 372061768 /nfs/dbraw/zinc/06/17/68/372061768.db2.gz WZKRSJHFYOBXHX-COXVUDFISA-N 1 3 260.425 3.288 20 0 CGADHO Clc1cc2c(c(Cl)c1)CC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000423348156 372053863 /nfs/dbraw/zinc/05/38/63/372053863.db2.gz RXBNGGJJJUASNV-HNNXBMFYSA-N 1 3 297.229 3.490 20 0 CGADHO C[C@@H](CN)[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000423374933 372056954 /nfs/dbraw/zinc/05/69/54/372056954.db2.gz UCUCFHYWNFEXKT-NHYWBVRUSA-N 1 3 260.381 3.457 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000423174132 372004556 /nfs/dbraw/zinc/00/45/56/372004556.db2.gz BJHYARGLQQYLNK-QPSCCSFWSA-N 1 3 252.446 3.179 20 0 CGADHO CC[C@H](NCCC[NH2+]Cc1cccnc1)c1ccsc1 ZINC000423187315 372014575 /nfs/dbraw/zinc/01/45/75/372014575.db2.gz MJFLRIYGTNSDAW-INIZCTEOSA-N 1 3 289.448 3.364 20 0 CGADHO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccccn1 ZINC000159158304 372110886 /nfs/dbraw/zinc/11/08/86/372110886.db2.gz ZBVNDLVWVPXSNY-UKRRQHHQSA-N 1 3 263.429 3.099 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000424337844 372083279 /nfs/dbraw/zinc/08/32/79/372083279.db2.gz SIPDHTOXKRGCJB-CHWSQXEVSA-N 1 3 272.314 3.065 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)CN(C)C ZINC000425936618 372146285 /nfs/dbraw/zinc/14/62/85/372146285.db2.gz JIJBWHFOTBKDNC-ABAIWWIYSA-N 1 3 266.816 3.115 20 0 CGADHO CCCN(CCc1ccc(CC)cc1)C1CC[NH2+]CC1 ZINC000431081306 372424378 /nfs/dbraw/zinc/42/43/78/372424378.db2.gz DTJHTTDGRHFVKR-UHFFFAOYSA-N 1 3 274.452 3.256 20 0 CGADHO Cc1sccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000293650937 372436222 /nfs/dbraw/zinc/43/62/22/372436222.db2.gz SLBLOUNHGNHWKL-ZIAGYGMSSA-N 1 3 296.480 3.036 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(Cl)c1 ZINC000166001682 372561644 /nfs/dbraw/zinc/56/16/44/372561644.db2.gz VKIYWGKZZZPCKB-BBRMVZONSA-N 1 3 298.858 3.347 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166458797 372574357 /nfs/dbraw/zinc/57/43/57/372574357.db2.gz JRBBCTHWIGTMSZ-HZPDHXFCSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166458797 372574361 /nfs/dbraw/zinc/57/43/61/372574361.db2.gz JRBBCTHWIGTMSZ-HZPDHXFCSA-N 1 3 297.446 3.235 20 0 CGADHO CC[N@H+](CCc1ccc(C)cc1)[C@@H]1CCCNCC1 ZINC000435611678 372783697 /nfs/dbraw/zinc/78/36/97/372783697.db2.gz BTJVJAZIILLBQJ-QGZVFWFLSA-N 1 3 260.425 3.002 20 0 CGADHO CC[N@@H+](CCc1ccc(C)cc1)[C@@H]1CCCNCC1 ZINC000435611678 372783706 /nfs/dbraw/zinc/78/37/06/372783706.db2.gz BTJVJAZIILLBQJ-QGZVFWFLSA-N 1 3 260.425 3.002 20 0 CGADHO CCN(CCc1ccc(C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611678 372783711 /nfs/dbraw/zinc/78/37/11/372783711.db2.gz BTJVJAZIILLBQJ-QGZVFWFLSA-N 1 3 260.425 3.002 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000344624555 217253294 /nfs/dbraw/zinc/25/32/94/217253294.db2.gz JDZKOKNIBUVGNW-HNAYVOBHSA-N 1 3 295.430 3.321 20 0 CGADHO C[C@H]1C[C@H](NCc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624555 217253297 /nfs/dbraw/zinc/25/32/97/217253297.db2.gz JDZKOKNIBUVGNW-HNAYVOBHSA-N 1 3 295.430 3.321 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000333243539 205146934 /nfs/dbraw/zinc/14/69/34/205146934.db2.gz FHEWQLJOEIKBIY-WCXIOVBPSA-N 1 3 287.451 3.276 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353462805 220098152 /nfs/dbraw/zinc/09/81/52/220098152.db2.gz PIAHMSWPJKOFRC-OIISXLGYSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353462805 220098154 /nfs/dbraw/zinc/09/81/54/220098154.db2.gz PIAHMSWPJKOFRC-OIISXLGYSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1F ZINC000353462805 220098155 /nfs/dbraw/zinc/09/81/55/220098155.db2.gz PIAHMSWPJKOFRC-OIISXLGYSA-N 1 3 276.399 3.097 20 0 CGADHO CC[C@H](C)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000296134398 373031299 /nfs/dbraw/zinc/03/12/99/373031299.db2.gz WKNHXOIFMXHSCZ-HNNXBMFYSA-N 1 3 289.467 3.105 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](CC)c1ccsc1 ZINC000296229711 373059834 /nfs/dbraw/zinc/05/98/34/373059834.db2.gz AKKMPHBAYQGBPU-GJZGRUSLSA-N 1 3 284.469 3.146 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442889762 373122113 /nfs/dbraw/zinc/12/21/13/373122113.db2.gz LMHGUMJKWDHALX-IRXDYDNUSA-N 1 3 297.531 3.063 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000173388902 373135839 /nfs/dbraw/zinc/13/58/39/373135839.db2.gz UAOXXKQRVXXCQU-JKSUJKDBSA-N 1 3 260.425 3.458 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000173902449 373212996 /nfs/dbraw/zinc/21/29/96/373212996.db2.gz XLXDDCDURDPJLM-QGZVFWFLSA-N 1 3 290.451 3.038 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000173902449 373212999 /nfs/dbraw/zinc/21/29/99/373212999.db2.gz XLXDDCDURDPJLM-QGZVFWFLSA-N 1 3 290.451 3.038 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)[NH2+]CC[C@@H]1CCCN1C ZINC000445904335 373317353 /nfs/dbraw/zinc/31/73/53/373317353.db2.gz PSQILVOGKXJTHE-RYUDHWBXSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)NCC[C@@H]1CCC[N@@H+]1C ZINC000445904335 373317361 /nfs/dbraw/zinc/31/73/61/373317361.db2.gz PSQILVOGKXJTHE-RYUDHWBXSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)NCC[C@@H]1CCC[N@H+]1C ZINC000445904335 373317367 /nfs/dbraw/zinc/31/73/67/373317367.db2.gz PSQILVOGKXJTHE-RYUDHWBXSA-N 1 3 266.351 3.037 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000300239259 373622381 /nfs/dbraw/zinc/62/23/81/373622381.db2.gz QKBUUOIATWZZPT-TWMKSMIVSA-N 1 3 264.457 3.418 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000300078576 373618158 /nfs/dbraw/zinc/61/81/58/373618158.db2.gz MBLWCMUHBLLFKB-HJWJTTGWSA-N 1 3 262.441 3.195 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000300077403 373618267 /nfs/dbraw/zinc/61/82/67/373618267.db2.gz BKYNULORSDDYQH-BHYGNILZSA-N 1 3 264.457 3.300 20 0 CGADHO C[C@@H]1C[C@H](NCCc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000179536034 373882773 /nfs/dbraw/zinc/88/27/73/373882773.db2.gz KRIMKEXKXKGOEZ-CHWSQXEVSA-N 1 3 295.496 3.055 20 0 CGADHO C[C@@H]1C[C@H](NCCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536034 373882781 /nfs/dbraw/zinc/88/27/81/373882781.db2.gz KRIMKEXKXKGOEZ-CHWSQXEVSA-N 1 3 295.496 3.055 20 0 CGADHO CCN(CC)[C@H](CNc1cc[nH+]c(C)c1)c1ccco1 ZINC000302582199 373899794 /nfs/dbraw/zinc/89/97/94/373899794.db2.gz SVVKLRWJWGBPCA-OAHLLOKOSA-N 1 3 273.380 3.478 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000450356843 374078497 /nfs/dbraw/zinc/07/84/97/374078497.db2.gz XOYXPOWEKQJILF-DZGCQCFKSA-N 1 3 283.419 3.114 20 0 CGADHO CCc1ccc2nccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000450356843 374078504 /nfs/dbraw/zinc/07/85/04/374078504.db2.gz XOYXPOWEKQJILF-DZGCQCFKSA-N 1 3 283.419 3.114 20 0 CGADHO FC1(F)CC[C@H](CN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000450437547 374128906 /nfs/dbraw/zinc/12/89/06/374128906.db2.gz LBQPKCUEUYLTJU-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000450437547 374128913 /nfs/dbraw/zinc/12/89/13/374128913.db2.gz LBQPKCUEUYLTJU-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CC[C@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000450437547 374128918 /nfs/dbraw/zinc/12/89/18/374128918.db2.gz LBQPKCUEUYLTJU-LSDHHAIUSA-N 1 3 286.410 3.230 20 0 CGADHO Cc1ccc(CCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000181904059 374188267 /nfs/dbraw/zinc/18/82/67/374188267.db2.gz AEEDNKSPBMAAJY-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000181904059 374188274 /nfs/dbraw/zinc/18/82/74/374188274.db2.gz AEEDNKSPBMAAJY-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccc(CCC[N@H+]2CC[C@H](CN3CCCC3)C2)cc1 ZINC000181904059 374188281 /nfs/dbraw/zinc/18/82/81/374188281.db2.gz AEEDNKSPBMAAJY-LJQANCHMSA-N 1 3 286.463 3.345 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313091215 374299690 /nfs/dbraw/zinc/29/96/90/374299690.db2.gz ZFXIOWOWDCVQQD-KFWWJZLASA-N 1 3 250.430 3.349 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000312512060 374282117 /nfs/dbraw/zinc/28/21/17/374282117.db2.gz JUNJFQHKGIIWLQ-GVDBMIGSSA-N 1 3 272.436 3.214 20 0 CGADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802640 374332932 /nfs/dbraw/zinc/33/29/32/374332932.db2.gz BCPYFMHWAJEZMQ-RDTXWAMCSA-N 1 3 297.446 3.477 20 0 CGADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000315802640 374332937 /nfs/dbraw/zinc/33/29/37/374332937.db2.gz BCPYFMHWAJEZMQ-RDTXWAMCSA-N 1 3 297.446 3.477 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CCC1 ZINC000322497146 374352722 /nfs/dbraw/zinc/35/27/22/374352722.db2.gz CRBYFBDNKRQAPZ-GDBMZVCRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H](C)c1ccccc1 ZINC000183339874 374403544 /nfs/dbraw/zinc/40/35/44/374403544.db2.gz XXMIPRVDUDFGRZ-VYDXJSESSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@H]([NH2+]CCC1CC1)c1cccc(OCCN(C)C)c1 ZINC000090118615 541957465 /nfs/dbraw/zinc/95/74/65/541957465.db2.gz CFHRHVHITLRFST-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO CC1CC[NH+](CCCC[NH2+]Cc2cc([O-])cc(F)c2)CC1 ZINC000185468429 374667097 /nfs/dbraw/zinc/66/70/97/374667097.db2.gz UQVQKDVBDHUHSB-UHFFFAOYSA-N 1 3 294.414 3.133 20 0 CGADHO CC1CC([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000334240497 206241036 /nfs/dbraw/zinc/24/10/36/206241036.db2.gz MCJQBKPZTZQFJA-UHFFFAOYSA-N 1 3 250.430 3.172 20 0 CGADHO CC1CC(NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000334240497 206241040 /nfs/dbraw/zinc/24/10/40/206241040.db2.gz MCJQBKPZTZQFJA-UHFFFAOYSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185687203 374715372 /nfs/dbraw/zinc/71/53/72/374715372.db2.gz XTYRGLQPXJELKS-AEFFLSMTSA-N 1 3 286.463 3.472 20 0 CGADHO Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c(C)n1 ZINC000186673331 374896806 /nfs/dbraw/zinc/89/68/06/374896806.db2.gz PABKWIAXIZNBOH-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938614 375039237 /nfs/dbraw/zinc/03/92/37/375039237.db2.gz KQWMCWPRHCMPQE-SJLPKXTDSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472938614 375039247 /nfs/dbraw/zinc/03/92/47/375039247.db2.gz KQWMCWPRHCMPQE-SJLPKXTDSA-N 1 3 290.426 3.489 20 0 CGADHO C[C@H](CN[C@H]1c2ccccc2C[C@@H]1C)C[NH+]1CCCC1 ZINC000481313647 375163550 /nfs/dbraw/zinc/16/35/50/375163550.db2.gz OIEKSGWDUJBXJV-RVKKMQEKSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@H](C[NH2+][C@H]1c2ccccc2C[C@@H]1C)CN1CCCC1 ZINC000481313647 375163554 /nfs/dbraw/zinc/16/35/54/375163554.db2.gz OIEKSGWDUJBXJV-RVKKMQEKSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000131670364 296226543 /nfs/dbraw/zinc/22/65/43/296226543.db2.gz UHXRLOGLVKCSQJ-GRYCIOLGSA-N 1 3 286.341 3.436 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000335488223 375321799 /nfs/dbraw/zinc/32/17/99/375321799.db2.gz POLCDRQFBRGJCB-XVSSEFHLSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)CN(C)C ZINC000491588936 375335121 /nfs/dbraw/zinc/33/51/21/375335121.db2.gz MTWFXHCWQYBSIT-NXHRZFHOSA-N 1 3 274.452 3.185 20 0 CGADHO C[C@@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)CN(C)C ZINC000491589788 375335305 /nfs/dbraw/zinc/33/53/05/375335305.db2.gz UHWIHWZZDYTBDO-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@]1(C[NH2+]C2CCN(C3CCCC3)CC2)CCCS1 ZINC000120487351 542011426 /nfs/dbraw/zinc/01/14/26/542011426.db2.gz PXKUWTVNJOVWSH-MRXNPFEDSA-N 1 3 282.497 3.269 20 0 CGADHO C[C@]1(CNC2CC[NH+](C3CCCC3)CC2)CCCS1 ZINC000120487351 542011431 /nfs/dbraw/zinc/01/14/31/542011431.db2.gz PXKUWTVNJOVWSH-MRXNPFEDSA-N 1 3 282.497 3.269 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000502415239 375644699 /nfs/dbraw/zinc/64/46/99/375644699.db2.gz LWFKMVDBXSJIQF-FGTMMUONSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)CC[N@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000123942489 542029332 /nfs/dbraw/zinc/02/93/32/542029332.db2.gz NQMQOQWFJJJWCT-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)CC[N@@H+](Cc1cccc2c1CCNC2)C1CC1 ZINC000123942489 542029336 /nfs/dbraw/zinc/02/93/36/542029336.db2.gz NQMQOQWFJJJWCT-UHFFFAOYSA-N 1 3 272.436 3.343 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000507524704 375712087 /nfs/dbraw/zinc/71/20/87/375712087.db2.gz JSWFPWAKWBRCDX-CABCVRRESA-N 1 3 252.446 3.299 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1cc(F)ccc1F ZINC000336791331 375941283 /nfs/dbraw/zinc/94/12/83/375941283.db2.gz NCHFAMLPCGOIFC-QWRGUYRKSA-N 1 3 256.340 3.133 20 0 CGADHO COC(C)(C)CCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336844998 376007593 /nfs/dbraw/zinc/00/75/93/376007593.db2.gz LLQWOAKHNVUYAV-SJORKVTESA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336844998 376007597 /nfs/dbraw/zinc/00/75/97/376007597.db2.gz LLQWOAKHNVUYAV-SJORKVTESA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000336844998 376007601 /nfs/dbraw/zinc/00/76/01/376007601.db2.gz LLQWOAKHNVUYAV-SJORKVTESA-N 1 3 296.499 3.388 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@H](CN2CCCC[C@H]2C)C1 ZINC000336844998 376007604 /nfs/dbraw/zinc/00/76/04/376007604.db2.gz LLQWOAKHNVUYAV-SJORKVTESA-N 1 3 296.499 3.388 20 0 CGADHO CC[C@@H](Cc1ccccc1)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000535468157 376038726 /nfs/dbraw/zinc/03/87/26/376038726.db2.gz HTYNGEXWEJWRDY-ZWKOTPCHSA-N 1 3 274.452 3.424 20 0 CGADHO CC[C@@H](Cc1ccccc1)N(C)CC[C@H]1CCC[N@H+]1C ZINC000535468157 376038737 /nfs/dbraw/zinc/03/87/37/376038737.db2.gz HTYNGEXWEJWRDY-ZWKOTPCHSA-N 1 3 274.452 3.424 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000222661835 376241133 /nfs/dbraw/zinc/24/11/33/376241133.db2.gz VXDVRDQVVSTMGD-DRZSPHRISA-N 1 3 252.427 3.190 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000222661835 376241136 /nfs/dbraw/zinc/24/11/36/376241136.db2.gz VXDVRDQVVSTMGD-DRZSPHRISA-N 1 3 252.427 3.190 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000224117687 376272737 /nfs/dbraw/zinc/27/27/37/376272737.db2.gz CQFROLIRZRFFTA-AVGNSLFASA-N 1 3 266.454 3.444 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000224117687 376272740 /nfs/dbraw/zinc/27/27/40/376272740.db2.gz CQFROLIRZRFFTA-AVGNSLFASA-N 1 3 266.454 3.444 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000338340628 376338459 /nfs/dbraw/zinc/33/84/59/376338459.db2.gz CZLFEMNWWUHPLS-GFCCVEGCSA-N 1 3 268.367 3.285 20 0 CGADHO Cc1cc(NCCN2CCSCC2)c2ccccc2[nH+]1 ZINC000226230415 376343222 /nfs/dbraw/zinc/34/32/22/376343222.db2.gz HXGZEQMNCNMYDD-UHFFFAOYSA-N 1 3 287.432 3.004 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CCOCC1 ZINC000539049817 376288561 /nfs/dbraw/zinc/28/85/61/376288561.db2.gz ZDDQNKQWCIZOKQ-SJLPKXTDSA-N 1 3 296.499 3.149 20 0 CGADHO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000227678081 376405414 /nfs/dbraw/zinc/40/54/14/376405414.db2.gz HFZMILUYKYWITK-KBPBESRZSA-N 1 3 269.392 3.473 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000227329701 376390193 /nfs/dbraw/zinc/39/01/93/376390193.db2.gz HKLIUEUOABAHGT-ZFWWWQNUSA-N 1 3 276.424 3.225 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000227375888 376394219 /nfs/dbraw/zinc/39/42/19/376394219.db2.gz IXMXRHXKECTNLE-JKSUJKDBSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000227375888 376394221 /nfs/dbraw/zinc/39/42/21/376394221.db2.gz IXMXRHXKECTNLE-JKSUJKDBSA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(OCCN2CC[C@H]([C@H](C)[NH3+])C2)ccc1C(C)C ZINC000228207731 376432470 /nfs/dbraw/zinc/43/24/70/376432470.db2.gz GMZSWVOOKLRXSO-HOTGVXAUSA-N 1 3 290.451 3.166 20 0 CGADHO C[C@H]([NH2+]C1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000541599734 376466101 /nfs/dbraw/zinc/46/61/01/376466101.db2.gz OWRLHYBVVFNCHZ-KBPBESRZSA-N 1 3 250.430 3.172 20 0 CGADHO CCC[NH+]1CCC(N(C)[C@H](C)Cc2ccsc2)CC1 ZINC000542152839 376512337 /nfs/dbraw/zinc/51/23/37/376512337.db2.gz USPNSZAFSDCJMA-CQSZACIVSA-N 1 3 280.481 3.485 20 0 CGADHO C[N@@H+]1CCCC12CCN(C[C@H]1CCc3ccccc3C1)CC2 ZINC000543186076 376616820 /nfs/dbraw/zinc/61/68/20/376616820.db2.gz DPZKMFIUWLBZPQ-KRWDZBQOSA-N 1 3 298.474 3.352 20 0 CGADHO C[N@H+]1CCCC12CCN(C[C@H]1CCc3ccccc3C1)CC2 ZINC000543186076 376616825 /nfs/dbraw/zinc/61/68/25/376616825.db2.gz DPZKMFIUWLBZPQ-KRWDZBQOSA-N 1 3 298.474 3.352 20 0 CGADHO CN1CCCC12CC[NH+](C[C@H]1CCc3ccccc3C1)CC2 ZINC000543186076 376616831 /nfs/dbraw/zinc/61/68/31/376616831.db2.gz DPZKMFIUWLBZPQ-KRWDZBQOSA-N 1 3 298.474 3.352 20 0 CGADHO Cc1ccc([C@H]2CCN(CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000543253310 376624752 /nfs/dbraw/zinc/62/47/52/376624752.db2.gz OVVFXXMZLDPISI-ZWKOTPCHSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccc([C@H]2CCN(CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000543253310 376624760 /nfs/dbraw/zinc/62/47/60/376624760.db2.gz OVVFXXMZLDPISI-ZWKOTPCHSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000235474335 376641964 /nfs/dbraw/zinc/64/19/64/376641964.db2.gz NGNONENSVOATNG-LBPRGKRZSA-N 1 3 266.816 3.208 20 0 CGADHO Cc1cc(Cl)ccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000235786084 376650883 /nfs/dbraw/zinc/65/08/83/376650883.db2.gz YPZMQVIQLWLWNG-ZDUSSCGKSA-N 1 3 266.816 3.209 20 0 CGADHO Cc1nc2ccccc2c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000544069211 376700391 /nfs/dbraw/zinc/70/03/91/376700391.db2.gz PQEFNEHZFNNKEY-INIZCTEOSA-N 1 3 297.446 3.416 20 0 CGADHO Cc1nc2ccccc2c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000544069211 376700397 /nfs/dbraw/zinc/70/03/97/376700397.db2.gz PQEFNEHZFNNKEY-INIZCTEOSA-N 1 3 297.446 3.416 20 0 CGADHO CCCC[C@H](CC)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544894823 376769818 /nfs/dbraw/zinc/76/98/18/376769818.db2.gz WUKUKFMKLWNYFH-WNRNVDISSA-N 1 3 296.499 3.386 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)C1 ZINC000245538222 376845098 /nfs/dbraw/zinc/84/50/98/376845098.db2.gz MSNQLKFUAQWSJW-TWMKSMIVSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)C1 ZINC000245538222 376845103 /nfs/dbraw/zinc/84/51/03/376845103.db2.gz MSNQLKFUAQWSJW-TWMKSMIVSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](CN1[C@H](C)CC[C@H]1C)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246460304 377034984 /nfs/dbraw/zinc/03/49/84/377034984.db2.gz FWDSHMKXJVAMFU-QCODTGAPSA-N 1 3 252.446 3.368 20 0 CGADHO C[C@H](CN1[C@H](C)CC[C@H]1C)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246460304 377034995 /nfs/dbraw/zinc/03/49/95/377034995.db2.gz FWDSHMKXJVAMFU-QCODTGAPSA-N 1 3 252.446 3.368 20 0 CGADHO C[C@@H](CN1[C@H](C)CC[C@@H]1C)C[NH+]1[C@H](C)CC[C@H]1C ZINC000246460304 377035009 /nfs/dbraw/zinc/03/50/09/377035009.db2.gz FWDSHMKXJVAMFU-QCODTGAPSA-N 1 3 252.446 3.368 20 0 CGADHO CC[C@H]1CC[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000558226696 376985537 /nfs/dbraw/zinc/98/55/37/376985537.db2.gz QXAKSVSGPIYWEW-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]1CC[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000558226696 376985553 /nfs/dbraw/zinc/98/55/53/376985553.db2.gz QXAKSVSGPIYWEW-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]1CC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000558226696 376985563 /nfs/dbraw/zinc/98/55/63/376985563.db2.gz QXAKSVSGPIYWEW-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293383 376990844 /nfs/dbraw/zinc/99/08/44/376990844.db2.gz WTARXLWDBFXITI-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293383 376990849 /nfs/dbraw/zinc/99/08/49/376990849.db2.gz WTARXLWDBFXITI-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293383 376990858 /nfs/dbraw/zinc/99/08/58/376990858.db2.gz WTARXLWDBFXITI-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293383 376990861 /nfs/dbraw/zinc/99/08/61/376990861.db2.gz WTARXLWDBFXITI-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000340524985 377122084 /nfs/dbraw/zinc/12/20/84/377122084.db2.gz UQPYPVYQXIQVOA-RRQGHBQHSA-N 1 3 294.414 3.168 20 0 CGADHO C[C@H](F)CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000340468417 377078876 /nfs/dbraw/zinc/07/88/76/377078876.db2.gz SYPCVRXTHGDPOT-ZDUSSCGKSA-N 1 3 256.409 3.121 20 0 CGADHO C[C@H](F)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000340468417 377078885 /nfs/dbraw/zinc/07/88/85/377078885.db2.gz SYPCVRXTHGDPOT-ZDUSSCGKSA-N 1 3 256.409 3.121 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC000246992750 377134247 /nfs/dbraw/zinc/13/42/47/377134247.db2.gz JLOQWENBUOBATN-JFIYKMOQSA-N 1 3 272.436 3.445 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000247119569 377161677 /nfs/dbraw/zinc/16/16/77/377161677.db2.gz PPJLZHNGBOLENX-BBWFWOEESA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@@H](C)Oc2ccccc2C)[C@@H](C)C1 ZINC000247119569 377161685 /nfs/dbraw/zinc/16/16/85/377161685.db2.gz PPJLZHNGBOLENX-BBWFWOEESA-N 1 3 290.451 3.082 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CCCC2)C1 ZINC000247132323 377164838 /nfs/dbraw/zinc/16/48/38/377164838.db2.gz VOTOTXDTYQOYTP-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CC[C@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000560559570 377173228 /nfs/dbraw/zinc/17/32/28/377173228.db2.gz YOTNTYQISADXGU-TXCZRRACSA-N 1 3 264.457 3.418 20 0 CGADHO CC1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CC1 ZINC000247271355 377188624 /nfs/dbraw/zinc/18/86/24/377188624.db2.gz YBXQOMJAEQWDLG-SJJHQCBESA-N 1 3 264.457 3.229 20 0 CGADHO CC1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CC1 ZINC000247271355 377188633 /nfs/dbraw/zinc/18/86/33/377188633.db2.gz YBXQOMJAEQWDLG-SJJHQCBESA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000248384511 377300451 /nfs/dbraw/zinc/30/04/51/377300451.db2.gz FCFNRCKBOJGWKX-ZBFHGGJFSA-N 1 3 278.415 3.030 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387708 377303604 /nfs/dbraw/zinc/30/36/04/377303604.db2.gz PPVZCJVDVDQFKZ-WBVHZDCISA-N 1 3 292.442 3.420 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387708 377303617 /nfs/dbraw/zinc/30/36/17/377303617.db2.gz PPVZCJVDVDQFKZ-WBVHZDCISA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387708 377303630 /nfs/dbraw/zinc/30/36/30/377303630.db2.gz PPVZCJVDVDQFKZ-WBVHZDCISA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)CCc2cccc(F)c2)C1 ZINC000248387708 377303637 /nfs/dbraw/zinc/30/36/37/377303637.db2.gz PPVZCJVDVDQFKZ-WBVHZDCISA-N 1 3 292.442 3.420 20 0 CGADHO CC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248404211 377308674 /nfs/dbraw/zinc/30/86/74/377308674.db2.gz PRKGSEUSSDITCS-ZNMIVQPWSA-N 1 3 252.446 3.275 20 0 CGADHO CC[NH2+]CCCN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000562956283 377378200 /nfs/dbraw/zinc/37/82/00/377378200.db2.gz MOIGAFVTRAZSEX-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO CC(C)Oc1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341197682 377442621 /nfs/dbraw/zinc/44/26/21/377442621.db2.gz XANKIDXXKACQLJ-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000341200850 377443144 /nfs/dbraw/zinc/44/31/44/377443144.db2.gz ZUIYMENTWOGMNH-UHFFFAOYSA-N 1 3 298.377 3.062 20 0 CGADHO CCc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249416174 377500518 /nfs/dbraw/zinc/50/05/18/377500518.db2.gz ZGAGXDUJQZFSBO-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249416174 377500528 /nfs/dbraw/zinc/50/05/28/377500528.db2.gz ZGAGXDUJQZFSBO-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249416174 377500533 /nfs/dbraw/zinc/50/05/33/377500533.db2.gz ZGAGXDUJQZFSBO-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249416174 377500540 /nfs/dbraw/zinc/50/05/40/377500540.db2.gz ZGAGXDUJQZFSBO-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1cc(Cl)sc1Cl ZINC000312884306 249082449 /nfs/dbraw/zinc/08/24/49/249082449.db2.gz XLCSFMGGXLDWCC-ZETCQYMHSA-N 1 3 267.225 3.272 20 0 CGADHO N[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000414902989 249124158 /nfs/dbraw/zinc/12/41/58/249124158.db2.gz ZEAVEBVSAAGXRR-SFHVURJKSA-N 1 3 266.388 3.181 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCSCC1 ZINC000250081505 377550452 /nfs/dbraw/zinc/55/04/52/377550452.db2.gz PCZSCVWVMAQLRO-OWCLPIDISA-N 1 3 298.540 3.476 20 0 CGADHO CC(C)C(C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)C(C)C ZINC000515010912 249198354 /nfs/dbraw/zinc/19/83/54/249198354.db2.gz AJYCDNCWIQECIK-LSDHHAIUSA-N 1 3 254.462 3.377 20 0 CGADHO Cc1ccc(F)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000515093024 249201660 /nfs/dbraw/zinc/20/16/60/249201660.db2.gz BVIQNGRKLBLCDO-INIZCTEOSA-N 1 3 290.426 3.298 20 0 CGADHO Fc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CC2 ZINC000178410424 542197378 /nfs/dbraw/zinc/19/73/78/542197378.db2.gz UQSJYHHATAECHX-QGZVFWFLSA-N 1 3 276.399 3.279 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000517553741 249267249 /nfs/dbraw/zinc/26/72/49/249267249.db2.gz QJUISNOIGPSRPJ-DOMZBBRYSA-N 1 3 278.465 3.105 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccccc2)CCCCC1 ZINC000517730879 249269790 /nfs/dbraw/zinc/26/97/90/249269790.db2.gz FSKHKKIAZWLBGI-IAGOWNOFSA-N 1 3 272.436 3.358 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135517 542205967 /nfs/dbraw/zinc/20/59/67/542205967.db2.gz UXMYDHJLIKJQOB-QLFBSQMISA-N 1 3 292.471 3.127 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180135517 542205971 /nfs/dbraw/zinc/20/59/71/542205971.db2.gz UXMYDHJLIKJQOB-QLFBSQMISA-N 1 3 292.471 3.127 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252173337 377617318 /nfs/dbraw/zinc/61/73/18/377617318.db2.gz OLEPUPMWEUYMOK-FPCVCCKLSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C[C@H]1C ZINC000251986330 377607306 /nfs/dbraw/zinc/60/73/06/377607306.db2.gz ZBCPGQMLTRFKHV-BFYDXBDKSA-N 1 3 287.451 3.465 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000574365806 377654262 /nfs/dbraw/zinc/65/42/62/377654262.db2.gz HZLBLPRTGWOEKP-IKGGRYGDSA-N 1 3 274.452 3.499 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2sccc21 ZINC000252711468 377655444 /nfs/dbraw/zinc/65/54/44/377655444.db2.gz JPVALISJLUJRDR-MRVWCRGKSA-N 1 3 264.438 3.055 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2sccc21 ZINC000252711468 377655451 /nfs/dbraw/zinc/65/54/51/377655451.db2.gz JPVALISJLUJRDR-MRVWCRGKSA-N 1 3 264.438 3.055 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCCSCc2ccccc2)C1 ZINC000574486606 377671522 /nfs/dbraw/zinc/67/15/22/377671522.db2.gz KXICGAKNGOFXKG-KRWDZBQOSA-N 1 3 292.492 3.240 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCCSCc2ccccc2)C1 ZINC000574486606 377671530 /nfs/dbraw/zinc/67/15/30/377671530.db2.gz KXICGAKNGOFXKG-KRWDZBQOSA-N 1 3 292.492 3.240 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000574486606 377671537 /nfs/dbraw/zinc/67/15/37/377671537.db2.gz KXICGAKNGOFXKG-KRWDZBQOSA-N 1 3 292.492 3.240 20 0 CGADHO C[C@@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@@H]1C ZINC000255275923 377745761 /nfs/dbraw/zinc/74/57/61/377745761.db2.gz DYQIWAYNOSOMIZ-CMKSSICZSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@@H]1C ZINC000255275923 377745765 /nfs/dbraw/zinc/74/57/65/377745765.db2.gz DYQIWAYNOSOMIZ-CMKSSICZSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@@H]1C ZINC000255275923 377745768 /nfs/dbraw/zinc/74/57/68/377745768.db2.gz DYQIWAYNOSOMIZ-CMKSSICZSA-N 1 3 250.430 3.291 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@@H]1C ZINC000255275923 377745770 /nfs/dbraw/zinc/74/57/70/377745770.db2.gz DYQIWAYNOSOMIZ-CMKSSICZSA-N 1 3 250.430 3.291 20 0 CGADHO c1ccc2oc([C@H]3CCCCN3CC3CC[NH2+]CC3)nc2c1 ZINC000261648457 377834499 /nfs/dbraw/zinc/83/44/99/377834499.db2.gz AXLMVPPZQUIHTC-MRXNPFEDSA-N 1 3 299.418 3.354 20 0 CGADHO C[C@]1(C[NH3+])CCN(CCc2ccc3ccccc3c2)C1 ZINC000261651877 377834735 /nfs/dbraw/zinc/83/47/35/377834735.db2.gz HKXKDVDLBVUWNJ-GOSISDBHSA-N 1 3 268.404 3.053 20 0 CGADHO C[C@]1(CN2CCC(Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261925551 377869790 /nfs/dbraw/zinc/86/97/90/377869790.db2.gz CBYIZGUQTHQJEX-SFHVURJKSA-N 1 3 290.426 3.080 20 0 CGADHO CC[N@H+](C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000261994125 377876565 /nfs/dbraw/zinc/87/65/65/377876565.db2.gz SSIRUBKUGQTDGG-RHSMWYFYSA-N 1 3 278.415 3.393 20 0 CGADHO CC[N@@H+](C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000261994125 377876571 /nfs/dbraw/zinc/87/65/71/377876571.db2.gz SSIRUBKUGQTDGG-RHSMWYFYSA-N 1 3 278.415 3.393 20 0 CGADHO Cc1ccc([C@@H]2C[C@H](C)N(C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262137844 377887771 /nfs/dbraw/zinc/88/77/71/377887771.db2.gz YVRSZWJOVXFUAM-CGTJXYLNSA-N 1 3 272.436 3.172 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@H]12 ZINC000261723528 377845567 /nfs/dbraw/zinc/84/55/67/377845567.db2.gz KLXHXMMAWVCJQT-FGTMMUONSA-N 1 3 266.388 3.009 20 0 CGADHO COc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC000262405589 377897136 /nfs/dbraw/zinc/89/71/36/377897136.db2.gz CRBSJWLWMNDRKQ-HOCLYGCPSA-N 1 3 298.430 3.265 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCOc2ccc3ccccc3c2)C1 ZINC000261819693 377857034 /nfs/dbraw/zinc/85/70/34/377857034.db2.gz APQDTDZCBDUCFY-MAUKXSAKSA-N 1 3 298.430 3.278 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)CC2CCCC2)CC1 ZINC000343515824 378003959 /nfs/dbraw/zinc/00/39/59/378003959.db2.gz BBCLXDWXDJUWGP-INIZCTEOSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)CC2CCCC2)CC1 ZINC000343515824 378003964 /nfs/dbraw/zinc/00/39/64/378003964.db2.gz BBCLXDWXDJUWGP-INIZCTEOSA-N 1 3 296.499 3.028 20 0 CGADHO CC[NH+](CC)CC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000343577025 378027053 /nfs/dbraw/zinc/02/70/53/378027053.db2.gz HYVQYWNABDYGAZ-HNNXBMFYSA-N 1 3 275.440 3.196 20 0 CGADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000578939641 378114453 /nfs/dbraw/zinc/11/44/53/378114453.db2.gz JCDIMJTVARTQFB-CVEARBPZSA-N 1 3 254.462 3.379 20 0 CGADHO COCc1ccc(CNCCCCCCC[NH+](C)C)o1 ZINC000268818001 378120544 /nfs/dbraw/zinc/12/05/44/378120544.db2.gz WRGBKSMLSUEHRO-UHFFFAOYSA-N 1 3 282.428 3.028 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000359327856 284686442 /nfs/dbraw/zinc/68/64/42/284686442.db2.gz XVCIMWILFXVYOO-QAETUUGQSA-N 1 3 282.472 3.044 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000268865533 378134841 /nfs/dbraw/zinc/13/48/41/378134841.db2.gz TVGPUNRAQREARS-ZFWWWQNUSA-N 1 3 278.465 3.447 20 0 CGADHO CC[C@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000345178737 378214869 /nfs/dbraw/zinc/21/48/69/378214869.db2.gz VEGLZXCPGQYGHQ-MRXNPFEDSA-N 1 3 258.409 3.032 20 0 CGADHO Cc1ccc2c(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269997292 378292115 /nfs/dbraw/zinc/29/21/15/378292115.db2.gz WYPGTBQTHLZNQY-IRXDYDNUSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1ccc2c(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269997292 378292120 /nfs/dbraw/zinc/29/21/20/378292120.db2.gz WYPGTBQTHLZNQY-IRXDYDNUSA-N 1 3 297.446 3.235 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000271912250 378514294 /nfs/dbraw/zinc/51/42/94/378514294.db2.gz YCTJJKJFWRKREW-QZTJIDSGSA-N 1 3 288.410 3.313 20 0 CGADHO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000346576374 378629778 /nfs/dbraw/zinc/62/97/78/378629778.db2.gz PWRYXVRVYNYYJM-BBRMVZONSA-N 1 3 276.424 3.076 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346574056 378629797 /nfs/dbraw/zinc/62/97/97/378629797.db2.gz ZFUUVXJOGMHWFQ-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CCc1oc2ccccc2c1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000346677822 378672446 /nfs/dbraw/zinc/67/24/46/378672446.db2.gz LREPEBPZDHRRLS-CHWSQXEVSA-N 1 3 272.392 3.164 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346850046 378694519 /nfs/dbraw/zinc/69/45/19/378694519.db2.gz PFUWVNBTNLOVRF-QZTJIDSGSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346850046 378694522 /nfs/dbraw/zinc/69/45/22/378694522.db2.gz PFUWVNBTNLOVRF-QZTJIDSGSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)c1 ZINC000346846226 378694736 /nfs/dbraw/zinc/69/47/36/378694736.db2.gz NNTTZVPXNQJEDD-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)c1 ZINC000346846226 378694740 /nfs/dbraw/zinc/69/47/40/378694740.db2.gz NNTTZVPXNQJEDD-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346846226 378694745 /nfs/dbraw/zinc/69/47/45/378694745.db2.gz NNTTZVPXNQJEDD-NVXWUHKLSA-N 1 3 258.409 3.132 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638134240 378712825 /nfs/dbraw/zinc/71/28/25/378712825.db2.gz MXSWONWNNKBOCD-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638134240 378712828 /nfs/dbraw/zinc/71/28/28/378712828.db2.gz MXSWONWNNKBOCD-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000346843253 218032547 /nfs/dbraw/zinc/03/25/47/218032547.db2.gz XSDLOVUFWBKDSB-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCNC3)CC2)cc1 ZINC000346843253 218032549 /nfs/dbraw/zinc/03/25/49/218032549.db2.gz XSDLOVUFWBKDSB-SJLPKXTDSA-N 1 3 272.436 3.256 20 0 CGADHO CO[C@H](CNCc1cccc(C[N@H+](C)C(C)C)c1)C1CC1 ZINC000638435673 378802776 /nfs/dbraw/zinc/80/27/76/378802776.db2.gz VRRITXIYYCTGIT-GOSISDBHSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@H](CNCc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000638435673 378802781 /nfs/dbraw/zinc/80/27/81/378802781.db2.gz VRRITXIYYCTGIT-GOSISDBHSA-N 1 3 290.451 3.041 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc4cc(F)ccc4o3)C[C@@H]21 ZINC000346837522 218029913 /nfs/dbraw/zinc/02/99/13/218029913.db2.gz WEJRWLBRCKKFED-XFBWCDHKSA-N 1 3 288.366 3.131 20 0 CGADHO Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346851142 218035800 /nfs/dbraw/zinc/03/58/00/218035800.db2.gz QOALTKPADLMXIQ-FUHWJXTLSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346851142 218035801 /nfs/dbraw/zinc/03/58/01/218035801.db2.gz QOALTKPADLMXIQ-FUHWJXTLSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccsc1[C@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278509252 194018843 /nfs/dbraw/zinc/01/88/43/194018843.db2.gz MBHUJSJIKCRRDB-CABCVRRESA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccsc1[C@H](C)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278509252 194018844 /nfs/dbraw/zinc/01/88/44/194018844.db2.gz MBHUJSJIKCRRDB-CABCVRRESA-N 1 3 296.480 3.208 20 0 CGADHO COc1ccc2cc(C[N@H+](C)C3CCNCC3)ccc2c1 ZINC000347016715 218092452 /nfs/dbraw/zinc/09/24/52/218092452.db2.gz JYFQZNOCEYGTHL-UHFFFAOYSA-N 1 3 284.403 3.032 20 0 CGADHO COc1ccc2cc(C[N@@H+](C)C3CCNCC3)ccc2c1 ZINC000347016715 218092454 /nfs/dbraw/zinc/09/24/54/218092454.db2.gz JYFQZNOCEYGTHL-UHFFFAOYSA-N 1 3 284.403 3.032 20 0 CGADHO c1cc(N2CCC(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)ccn1 ZINC000638836579 378930237 /nfs/dbraw/zinc/93/02/37/378930237.db2.gz IQUMLGQAHBFDIO-FGTMMUONSA-N 1 3 299.462 3.324 20 0 CGADHO CCCN(Cc1cccc(OC(C)C)c1)C1CC[NH2+]CC1 ZINC000347107583 218125010 /nfs/dbraw/zinc/12/50/10/218125010.db2.gz OFTSZWPMBMHTDO-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO CCC[N@H+](Cc1cccc(OC(C)C)c1)C1CCNCC1 ZINC000347107583 218125012 /nfs/dbraw/zinc/12/50/12/218125012.db2.gz OFTSZWPMBMHTDO-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO CCC[N@@H+](Cc1cccc(OC(C)C)c1)C1CCNCC1 ZINC000347107583 218125013 /nfs/dbraw/zinc/12/50/13/218125013.db2.gz OFTSZWPMBMHTDO-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495558 379025174 /nfs/dbraw/zinc/02/51/74/379025174.db2.gz YYDJKCLQJGFDJT-WMZOPIPTSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000347211860 218156917 /nfs/dbraw/zinc/15/69/17/218156917.db2.gz PGZXLDTVHXUKPB-MAUKXSAKSA-N 1 3 295.430 3.308 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000370495558 379025179 /nfs/dbraw/zinc/02/51/79/379025179.db2.gz YYDJKCLQJGFDJT-WMZOPIPTSA-N 1 3 288.435 3.014 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)CC1 ZINC000277046272 379053798 /nfs/dbraw/zinc/05/37/98/379053798.db2.gz CEDIXYQLVSXFRK-INIZCTEOSA-N 1 3 294.414 3.011 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)CC1 ZINC000277046272 379053802 /nfs/dbraw/zinc/05/38/02/379053802.db2.gz CEDIXYQLVSXFRK-INIZCTEOSA-N 1 3 294.414 3.011 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277173429 379089553 /nfs/dbraw/zinc/08/95/53/379089553.db2.gz KVYRZQSIGUGRIK-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277173429 379089561 /nfs/dbraw/zinc/08/95/61/379089561.db2.gz KVYRZQSIGUGRIK-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000277173429 379089566 /nfs/dbraw/zinc/08/95/66/379089566.db2.gz KVYRZQSIGUGRIK-SFHVURJKSA-N 1 3 274.452 3.344 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000639170776 379089662 /nfs/dbraw/zinc/08/96/62/379089662.db2.gz XVJXSHXSURAZRM-BQFCYCMXSA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000639170776 379089670 /nfs/dbraw/zinc/08/96/70/379089670.db2.gz XVJXSHXSURAZRM-BQFCYCMXSA-N 1 3 290.451 3.083 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000639170776 379089678 /nfs/dbraw/zinc/08/96/78/379089678.db2.gz XVJXSHXSURAZRM-BQFCYCMXSA-N 1 3 290.451 3.083 20 0 CGADHO CCSCC[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000349001161 379130474 /nfs/dbraw/zinc/13/04/74/379130474.db2.gz GXUBTLKQCATHOD-UHFFFAOYSA-N 1 3 280.481 3.323 20 0 CGADHO CCSCC[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000349001161 379130478 /nfs/dbraw/zinc/13/04/78/379130478.db2.gz GXUBTLKQCATHOD-UHFFFAOYSA-N 1 3 280.481 3.323 20 0 CGADHO Cc1cccc(CN2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277639602 379205824 /nfs/dbraw/zinc/20/58/24/379205824.db2.gz YHPIXPJLVVOIJP-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000277639602 379205827 /nfs/dbraw/zinc/20/58/27/379205827.db2.gz YHPIXPJLVVOIJP-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1cccc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1C ZINC000277639602 379205831 /nfs/dbraw/zinc/20/58/31/379205831.db2.gz YHPIXPJLVVOIJP-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000278116254 379295954 /nfs/dbraw/zinc/29/59/54/379295954.db2.gz SECYZFMZQJEHDW-LBPRGKRZSA-N 1 3 294.389 3.490 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1cccc(Cl)c1 ZINC000349690345 379346756 /nfs/dbraw/zinc/34/67/56/379346756.db2.gz FNOTUQAWSXKNOL-CQSZACIVSA-N 1 3 298.858 3.349 20 0 CGADHO c1ccc(C2CC[NH+](CCCN3CCCCC3)CC2)nc1 ZINC000375252970 379491463 /nfs/dbraw/zinc/49/14/63/379491463.db2.gz PFEBBHSENMFZQR-UHFFFAOYSA-N 1 3 287.451 3.137 20 0 CGADHO CCCN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCCO1 ZINC000351595439 379728959 /nfs/dbraw/zinc/72/89/59/379728959.db2.gz KSVPQSKQGCZIIZ-DLBZAZTESA-N 1 3 282.472 3.142 20 0 CGADHO CCCN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCCO1 ZINC000351595439 379728962 /nfs/dbraw/zinc/72/89/62/379728962.db2.gz KSVPQSKQGCZIIZ-DLBZAZTESA-N 1 3 282.472 3.142 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1CCN ZINC000352540135 379848222 /nfs/dbraw/zinc/84/82/22/379848222.db2.gz HNZRSYZOGUGHNL-DOTOQJQBSA-N 1 3 260.425 3.069 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1CCN ZINC000352540135 379848226 /nfs/dbraw/zinc/84/82/26/379848226.db2.gz HNZRSYZOGUGHNL-DOTOQJQBSA-N 1 3 260.425 3.069 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1cccc(-c2ccncc2)c1 ZINC000352544947 379851153 /nfs/dbraw/zinc/85/11/53/379851153.db2.gz DZPVEDOMUAESGT-IBGZPJMESA-N 1 3 295.430 3.452 20 0 CGADHO C[C@@H](c1ccccn1)N(C)CCCC[NH+]1CCCCC1 ZINC000640532960 379820022 /nfs/dbraw/zinc/82/00/22/379820022.db2.gz LQDHRRZZNKGMLB-INIZCTEOSA-N 1 3 275.440 3.341 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2Cl)CN(C)C ZINC000571115436 322290095 /nfs/dbraw/zinc/29/00/95/322290095.db2.gz BAYHGEGXBFSMPA-NHYWBVRUSA-N 1 3 266.816 3.115 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282331747 379899417 /nfs/dbraw/zinc/89/94/17/379899417.db2.gz OFFFMJWJENETES-SOUVJXGZSA-N 1 3 297.446 3.098 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403339876 379974002 /nfs/dbraw/zinc/97/40/02/379974002.db2.gz GBMRALSOQUWPLR-HTPGKPQGSA-N 1 3 276.468 3.323 20 0 CGADHO CC[NH+]1CCC(CCNCc2ccc(SC)o2)CC1 ZINC000641730470 380066101 /nfs/dbraw/zinc/06/61/01/380066101.db2.gz YOXQFJRUOHPWBY-UHFFFAOYSA-N 1 3 282.453 3.213 20 0 CGADHO C[NH2+]CC1CCN(Cc2oc(-c3ccccc3)nc2C)CC1 ZINC000641797054 380109561 /nfs/dbraw/zinc/10/95/61/380109561.db2.gz QZLBQOGHFBRFJL-UHFFFAOYSA-N 1 3 299.418 3.081 20 0 CGADHO C[C@@H]1C[C@H](NCc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180677 190384128 /nfs/dbraw/zinc/38/41/28/190384128.db2.gz IQKBSYNKXLMKDI-TZMCWYRMSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@H](NCc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180677 190384129 /nfs/dbraw/zinc/38/41/29/190384129.db2.gz IQKBSYNKXLMKDI-TZMCWYRMSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC2(C)C)CC1 ZINC000414221598 380201253 /nfs/dbraw/zinc/20/12/53/380201253.db2.gz MHUKIKNJXPWGSZ-IMJJTQAJSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000414221598 380201257 /nfs/dbraw/zinc/20/12/57/380201257.db2.gz MHUKIKNJXPWGSZ-IMJJTQAJSA-N 1 3 264.457 3.418 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@H]3CCC[C@@H]3C3CC3)CC2)ccn1 ZINC000414482500 380260747 /nfs/dbraw/zinc/26/07/47/380260747.db2.gz LVEIZTDOPGQSRF-VQIMIIECSA-N 1 3 299.462 3.466 20 0 CGADHO CC(C)OC1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643475751 380316996 /nfs/dbraw/zinc/31/69/96/380316996.db2.gz JQHLPHHVKLNGJW-JOCCRWCTSA-N 1 3 288.435 3.457 20 0 CGADHO C[C@H](Cc1cccs1)NCC1([NH3+])CCCCCC1 ZINC000643498586 380320159 /nfs/dbraw/zinc/32/01/59/380320159.db2.gz HMTNEWNYXPEBAX-CYBMUJFWSA-N 1 3 266.454 3.320 20 0 CGADHO Cc1cccc(C[C@H](NC[C@@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000643501630 380323110 /nfs/dbraw/zinc/32/31/10/380323110.db2.gz MRIKQLRHOCNYOI-ROUUACIJSA-N 1 3 272.436 3.048 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643521848 380337438 /nfs/dbraw/zinc/33/74/38/380337438.db2.gz DIRIUBCRDJFSNM-IIAWOOMASA-N 1 3 258.409 3.275 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@@H]3CC[C@H](N)[C@H]3C2)C1 ZINC000414671333 380364013 /nfs/dbraw/zinc/36/40/13/380364013.db2.gz NXJSNXDVOCTRAX-GBBGEASQSA-N 1 3 284.447 3.166 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CC[C@H](N)[C@H]3C2)C1 ZINC000414671333 380364019 /nfs/dbraw/zinc/36/40/19/380364019.db2.gz NXJSNXDVOCTRAX-GBBGEASQSA-N 1 3 284.447 3.166 20 0 CGADHO COc1ccc(C2CC[NH+](C[C@H](N)CC(C)C)CC2)cc1 ZINC000414739212 380391062 /nfs/dbraw/zinc/39/10/62/380391062.db2.gz KCISEZOVYMZXGZ-QGZVFWFLSA-N 1 3 290.451 3.248 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523504 380339477 /nfs/dbraw/zinc/33/94/77/380339477.db2.gz XIASBPPAGBVJIR-INIZCTEOSA-N 1 3 286.444 3.462 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000643523837 380339589 /nfs/dbraw/zinc/33/95/89/380339589.db2.gz AAJMSUKXLGLHNE-FPMFFAJLSA-N 1 3 250.361 3.055 20 0 CGADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000643525960 380340766 /nfs/dbraw/zinc/34/07/66/380340766.db2.gz KINXAGORNJEXLP-HUUCEWRRSA-N 1 3 284.403 3.263 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000643526871 380342694 /nfs/dbraw/zinc/34/26/94/380342694.db2.gz BCZMSFCCGKICSN-AMIZOPFISA-N 1 3 273.207 3.381 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](C)[NH3+] ZINC000643528636 380344957 /nfs/dbraw/zinc/34/49/57/380344957.db2.gz MHFPNRAGXJZWBZ-SKDRFNHKSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cc2ccccc2o1 ZINC000643534435 380349402 /nfs/dbraw/zinc/34/94/02/380349402.db2.gz VEFLAYSRVUSDAH-WBMJQRKESA-N 1 3 270.376 3.226 20 0 CGADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000643535180 380350936 /nfs/dbraw/zinc/35/09/36/380350936.db2.gz JWMCYZYGWNIQCU-NHYWBVRUSA-N 1 3 287.432 3.089 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cnc2ccsc2c1 ZINC000643535181 380351117 /nfs/dbraw/zinc/35/11/17/380351117.db2.gz JWMCYZYGWNIQCU-XHDPSFHLSA-N 1 3 287.432 3.089 20 0 CGADHO C(NC1CCC(C2CCCCC2)CC1)[C@@H]1C[NH2+]CCCO1 ZINC000643542363 380358032 /nfs/dbraw/zinc/35/80/32/380358032.db2.gz AEQWXMBVFOHZMU-ABHNRTSZSA-N 1 3 294.483 3.094 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000643546611 380359364 /nfs/dbraw/zinc/35/93/64/380359364.db2.gz RPDDMXCFVSMGOI-HOCLYGCPSA-N 1 3 258.409 3.320 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000414825894 380435315 /nfs/dbraw/zinc/43/53/15/380435315.db2.gz UOYPVESQJSSVQB-QFHJOOASSA-N 1 3 286.463 3.475 20 0 CGADHO CCc1cccc(Cl)c1CNCC[C@H]1CCC[NH2+]C1 ZINC000414829501 380438175 /nfs/dbraw/zinc/43/81/75/380438175.db2.gz BFWFDIGWAQPNJY-CYBMUJFWSA-N 1 3 280.843 3.382 20 0 CGADHO CNC[C@@H](C)C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000414832693 380439946 /nfs/dbraw/zinc/43/99/46/380439946.db2.gz FOVBKGDFUPWROZ-QGZVFWFLSA-N 1 3 296.458 3.286 20 0 CGADHO C[NH2+]C[C@@H](C)CNC(Cc1ccccc1)Cc1ccccc1 ZINC000414832693 380439955 /nfs/dbraw/zinc/43/99/55/380439955.db2.gz FOVBKGDFUPWROZ-QGZVFWFLSA-N 1 3 296.458 3.286 20 0 CGADHO CC(C)[C@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000414855706 380458387 /nfs/dbraw/zinc/45/83/87/380458387.db2.gz NJBPZKMBMQEWHT-RDJZCZTQSA-N 1 3 260.425 3.015 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000414784950 380402350 /nfs/dbraw/zinc/40/23/50/380402350.db2.gz UHJXNCCBNIOAIA-WMZOPIPTSA-N 1 3 272.436 3.130 20 0 CGADHO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)CC1 ZINC000414787850 380405111 /nfs/dbraw/zinc/40/51/11/380405111.db2.gz LSUCLMJNPIBYKF-KGLIPLIRSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)Oc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414792309 380407303 /nfs/dbraw/zinc/40/73/03/380407303.db2.gz CCJNOPWXCYHDCX-DOTOQJQBSA-N 1 3 276.424 3.081 20 0 CGADHO CC(C)([NH3+])CNC(Cc1ccccc1)Cc1ccccc1 ZINC000414803704 380416322 /nfs/dbraw/zinc/41/63/22/380416322.db2.gz MQLTWYYOYAAMNZ-UHFFFAOYSA-N 1 3 282.431 3.167 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000414806423 380417627 /nfs/dbraw/zinc/41/76/27/380417627.db2.gz QGOXRKFZOLFHRL-GXSJLCMTSA-N 1 3 292.370 3.374 20 0 CGADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1SC ZINC000414811070 380421930 /nfs/dbraw/zinc/42/19/30/380421930.db2.gz WARNROIMSKFFQJ-UONOGXRCSA-N 1 3 294.464 3.024 20 0 CGADHO CCC[C@@H](Cc1ccccc1)NCC[C@H]1CCC[NH2+]1 ZINC000414912408 380487349 /nfs/dbraw/zinc/48/73/49/380487349.db2.gz XZNAVOHUBMMIAA-SJORKVTESA-N 1 3 260.425 3.130 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414926900 380490931 /nfs/dbraw/zinc/49/09/31/380490931.db2.gz ODFIKSHSKVHCKZ-RCCFBDPRSA-N 1 3 272.436 3.445 20 0 CGADHO CC(C)COc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414923569 380491666 /nfs/dbraw/zinc/49/16/66/380491666.db2.gz INGKHBXLNOESLO-HOTGVXAUSA-N 1 3 276.424 3.081 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)N[C@@H](C)C[NH3+] ZINC000414935684 380495336 /nfs/dbraw/zinc/49/53/36/380495336.db2.gz BFORNCKTSLUGLU-CABZTGNLSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414937706 380498359 /nfs/dbraw/zinc/49/83/59/380498359.db2.gz IDAKNMPJTOCACR-INMHGKMJSA-N 1 3 274.452 3.330 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414941254 380498646 /nfs/dbraw/zinc/49/86/46/380498646.db2.gz LHGDPQDGHVLLCU-NXHRZFHOSA-N 1 3 274.452 3.376 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(-c2ccccc2F)s1 ZINC000414879131 380471814 /nfs/dbraw/zinc/47/18/14/380471814.db2.gz PDQMEWPMDOTXOL-NSHDSACASA-N 1 3 278.396 3.239 20 0 CGADHO C[C@@H](CCN)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000414890039 380475839 /nfs/dbraw/zinc/47/58/39/380475839.db2.gz GZOFMGSRZIXXDQ-LBPRGKRZSA-N 1 3 288.357 3.355 20 0 CGADHO [NH3+][C@@H](CNCCCc1c(Cl)cccc1Cl)C1CC1 ZINC000414892916 380475918 /nfs/dbraw/zinc/47/59/18/380475918.db2.gz QJICLCCXHNBUKS-AWEZNQCLSA-N 1 3 287.234 3.253 20 0 CGADHO COc1ccccc1-c1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000414888220 380476305 /nfs/dbraw/zinc/47/63/05/380476305.db2.gz DZRKKFUBJLHUSF-AWEZNQCLSA-N 1 3 284.403 3.189 20 0 CGADHO C[C@H](CCN)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414893954 380477726 /nfs/dbraw/zinc/47/77/26/380477726.db2.gz KUKBBGOLMSQEKA-GHMZBOCLSA-N 1 3 274.330 3.136 20 0 CGADHO N[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000414895194 380478601 /nfs/dbraw/zinc/47/86/01/380478601.db2.gz MVGMONHSIYXKAH-HNNXBMFYSA-N 1 3 272.417 3.242 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CCCNC1 ZINC000414898264 380479489 /nfs/dbraw/zinc/47/94/89/380479489.db2.gz BBMIFSQGNZGKNB-KURKYZTESA-N 1 3 272.436 3.302 20 0 CGADHO C[C@H](CN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000645076704 380573691 /nfs/dbraw/zinc/57/36/91/380573691.db2.gz GFYPRXNZVSEYKX-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO CO[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC(C)C ZINC000417330451 380595238 /nfs/dbraw/zinc/59/52/38/380595238.db2.gz DUDTYEIWTOXFCD-SFHVURJKSA-N 1 3 296.499 3.434 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CC12CC2 ZINC000417374941 380613142 /nfs/dbraw/zinc/61/31/42/380613142.db2.gz ZSQWCEUOACWGRO-CQSZACIVSA-N 1 3 262.441 3.173 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000355649941 380737532 /nfs/dbraw/zinc/73/75/32/380737532.db2.gz HNLJCBOBPDPLRV-IUODEOHRSA-N 1 3 266.816 3.078 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000355649941 380737536 /nfs/dbraw/zinc/73/75/36/380737536.db2.gz HNLJCBOBPDPLRV-IUODEOHRSA-N 1 3 266.816 3.078 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C)[C@H]1OC ZINC000356706399 380831718 /nfs/dbraw/zinc/83/17/18/380831718.db2.gz XFMKZIMIBYKDRW-MZBWOGCUSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)[C@H]1OC ZINC000356706399 380831731 /nfs/dbraw/zinc/83/17/31/380831731.db2.gz XFMKZIMIBYKDRW-MZBWOGCUSA-N 1 3 294.483 3.043 20 0 CGADHO CCC1(CC)[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@H](C)[C@H]1OC ZINC000356706399 380831738 /nfs/dbraw/zinc/83/17/38/380831738.db2.gz XFMKZIMIBYKDRW-MZBWOGCUSA-N 1 3 294.483 3.043 20 0 CGADHO CC(C)Oc1ccc2nccc(N(C)C3CC[NH2+]CC3)c2c1 ZINC000420142229 380839868 /nfs/dbraw/zinc/83/98/68/380839868.db2.gz UAHBXAHMCYPMPL-UHFFFAOYSA-N 1 3 299.418 3.210 20 0 CGADHO C[NH2+]CCCN1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420363924 380851133 /nfs/dbraw/zinc/85/11/33/380851133.db2.gz CEBWDBHIEWGPDU-HXUWFJFHSA-N 1 3 294.442 3.438 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358813 380894538 /nfs/dbraw/zinc/89/45/38/380894538.db2.gz UYCSFCDGGHWBMC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(C3CC3)c2)C1 ZINC000421358813 380894540 /nfs/dbraw/zinc/89/45/40/380894540.db2.gz UYCSFCDGGHWBMC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358813 380894544 /nfs/dbraw/zinc/89/45/44/380894544.db2.gz UYCSFCDGGHWBMC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(C3CC3)c2)C1 ZINC000421358813 380894547 /nfs/dbraw/zinc/89/45/47/380894547.db2.gz UYCSFCDGGHWBMC-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO Fc1ccc2c(c1)[C@H](N1CCC([C@H]3CC[NH2+]C3)CC1)CC2 ZINC000357089544 381024525 /nfs/dbraw/zinc/02/45/25/381024525.db2.gz QCYIXISCSBNCIP-MAUKXSAKSA-N 1 3 288.410 3.135 20 0 CGADHO C[C@H](c1ccccc1Cl)N1CCC2(C1)CC[NH2+]CC2 ZINC000358504841 381313378 /nfs/dbraw/zinc/31/33/78/381313378.db2.gz IUYBVDGLNOOKBB-CYBMUJFWSA-N 1 3 278.827 3.477 20 0 CGADHO CC(C)(C[NH2+]C[C@H]1CC=CCC1)CN1CCCC1 ZINC000360169476 381467309 /nfs/dbraw/zinc/46/73/09/381467309.db2.gz SHNKEFYXYSWUCO-HNNXBMFYSA-N 1 3 250.430 3.054 20 0 CGADHO CC1([NH2+]Cc2cc3ccccc3s2)CCNCC1 ZINC000334845641 207177496 /nfs/dbraw/zinc/17/74/96/207177496.db2.gz ZMLITFSOTRUHCQ-UHFFFAOYSA-N 1 3 260.406 3.133 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981342 381642011 /nfs/dbraw/zinc/64/20/11/381642011.db2.gz KCLRYCUCXAOTAJ-CGTJXYLNSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981342 381642017 /nfs/dbraw/zinc/64/20/17/381642017.db2.gz KCLRYCUCXAOTAJ-CGTJXYLNSA-N 1 3 272.436 3.082 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)Cc1ccccc1 ZINC000360981342 381642023 /nfs/dbraw/zinc/64/20/23/381642023.db2.gz KCLRYCUCXAOTAJ-CGTJXYLNSA-N 1 3 272.436 3.082 20 0 CGADHO CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000361315614 381689035 /nfs/dbraw/zinc/68/90/35/381689035.db2.gz LOYMVFBWVZSXHL-NUJGCVRESA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361315614 381689038 /nfs/dbraw/zinc/68/90/38/381689038.db2.gz LOYMVFBWVZSXHL-NUJGCVRESA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361315614 381689045 /nfs/dbraw/zinc/68/90/45/381689045.db2.gz LOYMVFBWVZSXHL-NUJGCVRESA-N 1 3 296.499 3.026 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000226541658 542291614 /nfs/dbraw/zinc/29/16/14/542291614.db2.gz GRTIFBVPBYIWQK-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@@H]1CCC[C@@H](NCCC[N@H+](C)C2CCCCC2)C1 ZINC000226541658 542291617 /nfs/dbraw/zinc/29/16/17/542291617.db2.gz GRTIFBVPBYIWQK-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO CO[C@@H]1CCC[C@@H](NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000226541658 542291619 /nfs/dbraw/zinc/29/16/19/542291619.db2.gz GRTIFBVPBYIWQK-NVXWUHKLSA-N 1 3 282.472 3.188 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc32)c2ccccc21 ZINC000227538490 542294127 /nfs/dbraw/zinc/29/41/27/542294127.db2.gz XCWSSBMZUFMOAI-MORSLUCNSA-N 1 3 264.372 3.061 20 0 CGADHO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000251610038 542346784 /nfs/dbraw/zinc/34/67/84/542346784.db2.gz CBZVJCKXIKEUJY-QXSJWSMHSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413526 542349453 /nfs/dbraw/zinc/34/94/53/542349453.db2.gz DPILZLPNGPPYMI-HYVNUMGLSA-N 1 3 258.409 3.212 20 0 CGADHO CSc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000280928406 195033782 /nfs/dbraw/zinc/03/37/82/195033782.db2.gz UVLAVEOWJFNCEV-HZPDHXFCSA-N 1 3 290.476 3.167 20 0 CGADHO CSc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000280928406 195033785 /nfs/dbraw/zinc/03/37/85/195033785.db2.gz UVLAVEOWJFNCEV-HZPDHXFCSA-N 1 3 290.476 3.167 20 0 CGADHO CC[NH+](CC)CCOCCNCc1cc(C)c(C)cc1C ZINC000350358565 219010095 /nfs/dbraw/zinc/01/00/95/219010095.db2.gz QUYIYLNUONRTND-UHFFFAOYSA-N 1 3 292.467 3.060 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)CN)cc1F ZINC000423296022 533139623 /nfs/dbraw/zinc/13/96/23/533139623.db2.gz FZUBHSJNIRLPRD-NOLJZWGESA-N 1 3 294.414 3.045 20 0 CGADHO CC(C)[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000576703598 335237281 /nfs/dbraw/zinc/23/72/81/335237281.db2.gz XYHDUVIESBZLEF-DOTOQJQBSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)[C@@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000576703598 335237282 /nfs/dbraw/zinc/23/72/82/335237282.db2.gz XYHDUVIESBZLEF-DOTOQJQBSA-N 1 3 260.425 3.097 20 0 CGADHO Cc1c[nH+]ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000306473751 542420844 /nfs/dbraw/zinc/42/08/44/542420844.db2.gz VFYAAIOKKUSPKX-INIZCTEOSA-N 1 3 267.376 3.076 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+][C@H]3CCNC[C@H]3C)ccc2c1 ZINC000423384499 533337193 /nfs/dbraw/zinc/33/71/93/533337193.db2.gz GABXUFLCJRTYCG-TYILLQQXSA-N 1 3 298.430 3.497 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(-c2ccncc2)cc1 ZINC000423347847 533366631 /nfs/dbraw/zinc/36/66/31/533366631.db2.gz RJVPUNNURDLMBI-OAHLLOKOSA-N 1 3 293.414 3.319 20 0 CGADHO C[C@@H](NCC1C[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000423306772 533370542 /nfs/dbraw/zinc/37/05/42/533370542.db2.gz USULHQJMEVGLPV-OAHLLOKOSA-N 1 3 280.415 3.016 20 0 CGADHO C[C@@H]([NH2+]CC1CNC1)C(c1ccccc1)c1ccccc1 ZINC000423306772 533370546 /nfs/dbraw/zinc/37/05/46/533370546.db2.gz USULHQJMEVGLPV-OAHLLOKOSA-N 1 3 280.415 3.016 20 0 CGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423294631 533408262 /nfs/dbraw/zinc/40/82/62/533408262.db2.gz CLQVXPIPQRVDRY-WDEREUQCSA-N 1 3 288.407 3.289 20 0 CGADHO CC(C)(CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000406133075 542628140 /nfs/dbraw/zinc/62/81/40/542628140.db2.gz XYEZSWHVRZOERN-GOEBONIOSA-N 1 3 264.457 3.277 20 0 CGADHO [NH3+]CCCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000414702510 542637933 /nfs/dbraw/zinc/63/79/33/542637933.db2.gz HVWSXYMEVZYCTB-UHFFFAOYSA-N 1 3 272.314 3.023 20 0 CGADHO CCc1oc2ccccc2c1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414931480 542641273 /nfs/dbraw/zinc/64/12/73/542641273.db2.gz UQYYVIKYJIVQFQ-QWHCGFSZSA-N 1 3 272.392 3.355 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2ccccc21 ZINC000036908191 391979030 /nfs/dbraw/zinc/97/90/30/391979030.db2.gz MDDHMGGSIYYYCE-DTDBQYNISA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCCc2ccccc21 ZINC000036908191 391979034 /nfs/dbraw/zinc/97/90/34/391979034.db2.gz MDDHMGGSIYYYCE-DTDBQYNISA-N 1 3 272.436 3.382 20 0 CGADHO CCC1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000057994387 392111478 /nfs/dbraw/zinc/11/14/78/392111478.db2.gz YXSGUMKHSCBNML-FHERZECASA-N 1 3 252.446 3.277 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000249379513 131121805 /nfs/dbraw/zinc/12/18/05/131121805.db2.gz PFELLGLQWJVJTP-HZPDHXFCSA-N 1 3 290.451 3.466 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367058130 392463388 /nfs/dbraw/zinc/46/33/88/392463388.db2.gz QBFGGVYJBJHQBB-SJLPKXTDSA-N 1 3 289.467 3.429 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575857 392547831 /nfs/dbraw/zinc/54/78/31/392547831.db2.gz YDGYQYSEHDJGFS-MBNYWOFBSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575857 392547835 /nfs/dbraw/zinc/54/78/35/392547835.db2.gz YDGYQYSEHDJGFS-MBNYWOFBSA-N 1 3 264.438 3.198 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000173908375 392630204 /nfs/dbraw/zinc/63/02/04/392630204.db2.gz JCDWWSZJBRWNAL-NVXWUHKLSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000173908375 392630209 /nfs/dbraw/zinc/63/02/09/392630209.db2.gz JCDWWSZJBRWNAL-NVXWUHKLSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000173908375 392630212 /nfs/dbraw/zinc/63/02/12/392630212.db2.gz JCDWWSZJBRWNAL-NVXWUHKLSA-N 1 3 260.425 3.411 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173908375 392630215 /nfs/dbraw/zinc/63/02/15/392630215.db2.gz JCDWWSZJBRWNAL-NVXWUHKLSA-N 1 3 260.425 3.411 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC000647283780 392635446 /nfs/dbraw/zinc/63/54/46/392635446.db2.gz MVDNYZGTKBKHRE-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](CC(C)C)c2ccncc2)C1 ZINC000647283780 392635457 /nfs/dbraw/zinc/63/54/57/392635457.db2.gz MVDNYZGTKBKHRE-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](CC(C)C)c2ccncc2)C1 ZINC000647283780 392635466 /nfs/dbraw/zinc/63/54/66/392635466.db2.gz MVDNYZGTKBKHRE-NVXWUHKLSA-N 1 3 275.440 3.100 20 0 CGADHO CC(C)(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647479360 392735258 /nfs/dbraw/zinc/73/52/58/392735258.db2.gz DITLJAFGLPEFLG-WMZOPIPTSA-N 1 3 286.463 3.428 20 0 CGADHO CCCc1cccc(CN2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000647497557 392740482 /nfs/dbraw/zinc/74/04/82/392740482.db2.gz MBVJPRXNNMKWDY-SJORKVTESA-N 1 3 260.425 3.198 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543675 392759560 /nfs/dbraw/zinc/75/95/60/392759560.db2.gz RALQEFGAWQWIPC-HZPDHXFCSA-N 1 3 290.426 3.346 20 0 CGADHO CN1CCCC12CC[NH+](CCCc1ccccc1)CC2 ZINC000375818376 392824554 /nfs/dbraw/zinc/82/45/54/392824554.db2.gz WCUNTJRZNODEGS-UHFFFAOYSA-N 1 3 272.436 3.179 20 0 CGADHO CC[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(OC)cc1 ZINC000519707497 392885395 /nfs/dbraw/zinc/88/53/95/392885395.db2.gz BNVBOBBANRNWGJ-GOSISDBHSA-N 1 3 284.403 3.395 20 0 CGADHO CC1([NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000519731293 392888915 /nfs/dbraw/zinc/88/89/15/392888915.db2.gz SZRBAHNKFPRVSB-UHFFFAOYSA-N 1 3 250.430 3.316 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000380835264 392905886 /nfs/dbraw/zinc/90/58/86/392905886.db2.gz LSFJHJYATKITJO-JKSUJKDBSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000459741765 392953606 /nfs/dbraw/zinc/95/36/06/392953606.db2.gz NQYJZJPDXOGMSU-RANZSIQMSA-N 1 3 294.483 3.187 20 0 CGADHO CC[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000459741765 392953614 /nfs/dbraw/zinc/95/36/14/392953614.db2.gz NQYJZJPDXOGMSU-RANZSIQMSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(Cl)cc32)CC[N@@H+]1C ZINC000343122262 393020147 /nfs/dbraw/zinc/02/01/47/393020147.db2.gz TYLJAJIUTDVUBZ-XFJVYGCCSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(Cl)cc32)CC[N@H+]1C ZINC000343122262 393020160 /nfs/dbraw/zinc/02/01/60/393020160.db2.gz TYLJAJIUTDVUBZ-XFJVYGCCSA-N 1 3 278.827 3.400 20 0 CGADHO CCCC1CCC([N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000232913728 393026378 /nfs/dbraw/zinc/02/63/78/393026378.db2.gz FMQWYKQYLFUTEZ-HWOWSKLDSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC1CCC([N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000232913728 393026381 /nfs/dbraw/zinc/02/63/81/393026381.db2.gz FMQWYKQYLFUTEZ-HWOWSKLDSA-N 1 3 252.446 3.277 20 0 CGADHO Clc1ccc(Cl)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415010476 393093558 /nfs/dbraw/zinc/09/35/58/393093558.db2.gz PGDJHRZBOIQJHM-DZGCQCFKSA-N 1 3 299.245 3.471 20 0 CGADHO CCC[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415010481 393093958 /nfs/dbraw/zinc/09/39/58/393093958.db2.gz UYAZBPYWJLLTHN-UKPHBRMFSA-N 1 3 278.415 3.297 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1csc(-c2ccsc2)n1 ZINC000415017098 393098567 /nfs/dbraw/zinc/09/85/67/393098567.db2.gz DORZOHSRGFIADS-JTQLQIEISA-N 1 3 281.450 3.089 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)s1)[C@H](C)N ZINC000415016164 393098628 /nfs/dbraw/zinc/09/86/28/393098628.db2.gz ZXLXQIUOHZEEQM-WDEREUQCSA-N 1 3 278.396 3.380 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](CNCc2cccc(Cl)c2F)CC1 ZINC000415028179 393102898 /nfs/dbraw/zinc/10/28/98/393102898.db2.gz YDNLVPFFDHNZAA-HAQNSBGRSA-N 1 3 284.806 3.334 20 0 CGADHO Cc1cc(F)c(CN[C@@H](C)CCC[NH3+])c(Cl)c1 ZINC000415028995 393102987 /nfs/dbraw/zinc/10/29/87/393102987.db2.gz ZRDAXNJTZWLLHA-JTQLQIEISA-N 1 3 258.768 3.005 20 0 CGADHO Clc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414778504 393054841 /nfs/dbraw/zinc/05/48/41/393054841.db2.gz IYLHTZICZOTSRO-GJZGRUSLSA-N 1 3 278.827 3.162 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCN1 ZINC000414953758 393060292 /nfs/dbraw/zinc/06/02/92/393060292.db2.gz RXBPKBRSWOQSQU-NRSFXHEJSA-N 1 3 272.436 3.227 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2CCN[C@@H](C)C2)c2ccccc12 ZINC000414959331 393066886 /nfs/dbraw/zinc/06/68/86/393066886.db2.gz XJEUIKWYQFFHLH-DZGCQCFKSA-N 1 3 284.403 3.079 20 0 CGADHO C[C@H](NC[C@@H]1CC[NH2+][C@H](C)C1)c1nc(C(C)(C)C)cs1 ZINC000415080461 393133400 /nfs/dbraw/zinc/13/34/00/393133400.db2.gz LPXSBHCIDFZHBJ-FRRDWIJNSA-N 1 3 295.496 3.479 20 0 CGADHO CC(C)C[C@H](N)C[NH2+]CCOc1ccc2ccccc2c1 ZINC000415079485 393134677 /nfs/dbraw/zinc/13/46/77/393134677.db2.gz HUWXISNGIXTKFC-KRWDZBQOSA-N 1 3 286.419 3.182 20 0 CGADHO Cc1cccc(C)c1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415089353 393140139 /nfs/dbraw/zinc/14/01/39/393140139.db2.gz WLDCXBMPKDWUCX-IPMKNSEASA-N 1 3 286.463 3.356 20 0 CGADHO C[C@]1(CNCCc2cc(Cl)cc(Cl)c2)CC[NH2+]C1 ZINC000415089318 393140721 /nfs/dbraw/zinc/14/07/21/393140721.db2.gz WENRUFCHEYWHMQ-CQSZACIVSA-N 1 3 287.234 3.125 20 0 CGADHO c1ccc(C[C@H]2CCCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000415089582 393140786 /nfs/dbraw/zinc/14/07/86/393140786.db2.gz YYHSHZWAYHOJFU-SJLPKXTDSA-N 1 3 272.436 3.130 20 0 CGADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000354205105 393241184 /nfs/dbraw/zinc/24/11/84/393241184.db2.gz GAOKEMQNSPZAIE-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1ccncc1[C@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000356259947 393398363 /nfs/dbraw/zinc/39/83/63/393398363.db2.gz AXSMUHPHBGBJLD-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000479413226 393432494 /nfs/dbraw/zinc/43/24/94/393432494.db2.gz AGNINWNWOIQQQP-YLFCFFPRSA-N 1 3 264.457 3.441 20 0 CGADHO c1ccc(SCCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420388000 393480951 /nfs/dbraw/zinc/48/09/51/393480951.db2.gz GVDHSOIIQQOYSD-DOTOQJQBSA-N 1 3 290.476 3.243 20 0 CGADHO CSC1(C[NH2+]CC[C@H](C)N2CCCCC2)CCC1 ZINC000356431169 393442087 /nfs/dbraw/zinc/44/20/87/393442087.db2.gz DJHRMQIZQGOUCL-AWEZNQCLSA-N 1 3 270.486 3.126 20 0 CGADHO CC[C@@H](NCC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000420391418 393481812 /nfs/dbraw/zinc/48/18/12/393481812.db2.gz AVMKYUFKHQQFEA-XHDPSFHLSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H](N)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000420302037 393456267 /nfs/dbraw/zinc/45/62/67/393456267.db2.gz LUWWSCJTRGBLML-CQSZACIVSA-N 1 3 268.404 3.366 20 0 CGADHO CC[C@@](C)(NCC[C@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000420309293 393458900 /nfs/dbraw/zinc/45/89/00/393458900.db2.gz DWBGGCUIVVOFLS-UKRRQHHQSA-N 1 3 281.469 3.056 20 0 CGADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1cc(Cl)cc(Cl)c1 ZINC000420321123 393465371 /nfs/dbraw/zinc/46/53/71/393465371.db2.gz QTXXBCIAAKJERP-NSHDSACASA-N 1 3 287.234 3.425 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000420366940 393476684 /nfs/dbraw/zinc/47/66/84/393476684.db2.gz RNXSAADEJUIDIF-AWEZNQCLSA-N 1 3 298.883 3.410 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000420366941 393476939 /nfs/dbraw/zinc/47/69/39/393476939.db2.gz RNXSAADEJUIDIF-CQSZACIVSA-N 1 3 298.883 3.410 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000420375477 393477991 /nfs/dbraw/zinc/47/79/91/393477991.db2.gz PMLGXNWXXYXJDJ-IINYFYTJSA-N 1 3 297.240 3.227 20 0 CGADHO CN1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000647248716 393411319 /nfs/dbraw/zinc/41/13/19/393411319.db2.gz VVIIOHDTOGZQNE-MSOLQXFVSA-N 1 3 298.405 3.261 20 0 CGADHO c1ccc([C@@H](CC2CCC2)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000420421333 393485821 /nfs/dbraw/zinc/48/58/21/393485821.db2.gz YRTXTIBJEBUWEU-NVXWUHKLSA-N 1 3 258.409 3.117 20 0 CGADHO Clc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357042523 393506416 /nfs/dbraw/zinc/50/64/16/393506416.db2.gz FAGBILZFHFHKLH-HNNXBMFYSA-N 1 3 278.827 3.162 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)CS1 ZINC000488452836 393521045 /nfs/dbraw/zinc/52/10/45/393521045.db2.gz YNKFMEKTGQMAOM-OAGGEKHMSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)CS1 ZINC000488452836 393521050 /nfs/dbraw/zinc/52/10/50/393521050.db2.gz YNKFMEKTGQMAOM-OAGGEKHMSA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C(C)C)C2)CS1 ZINC000488452836 393521055 /nfs/dbraw/zinc/52/10/55/393521055.db2.gz YNKFMEKTGQMAOM-OAGGEKHMSA-N 1 3 284.513 3.227 20 0 CGADHO CCC1(CC)[C@@H](NC2CC([NH+]3CCCCC3)C2)C[C@@H]1OC ZINC000359046020 393534636 /nfs/dbraw/zinc/53/46/36/393534636.db2.gz KPZGFIPYUPYBHB-GQGLESIBSA-N 1 3 294.483 3.187 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1C1CC1 ZINC000666743437 542812091 /nfs/dbraw/zinc/81/20/91/542812091.db2.gz ILHJLCTXPBIHIA-YOEHRIQHSA-N 1 3 258.409 3.171 20 0 CGADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000430707469 393589115 /nfs/dbraw/zinc/58/91/15/393589115.db2.gz GONVLDYIIRGNBS-FVQBIDKESA-N 1 3 250.430 3.053 20 0 CGADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000430707468 393589337 /nfs/dbraw/zinc/58/93/37/393589337.db2.gz GONVLDYIIRGNBS-BMFZPTHFSA-N 1 3 250.430 3.053 20 0 CGADHO Cc1cccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414456 393611026 /nfs/dbraw/zinc/61/10/26/393611026.db2.gz KTEWITBHUBRWBC-IRXDYDNUSA-N 1 3 290.451 3.147 20 0 CGADHO Cc1cccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432414456 393611028 /nfs/dbraw/zinc/61/10/28/393611028.db2.gz KTEWITBHUBRWBC-IRXDYDNUSA-N 1 3 290.451 3.147 20 0 CGADHO CC[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422779608 393641927 /nfs/dbraw/zinc/64/19/27/393641927.db2.gz CGGLDRBSEGQLGR-LEOABGAYSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)[C@@H]1CCCN1 ZINC000422779608 393641932 /nfs/dbraw/zinc/64/19/32/393641932.db2.gz CGGLDRBSEGQLGR-LEOABGAYSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422779911 393642478 /nfs/dbraw/zinc/64/24/78/393642478.db2.gz CGGLDRBSEGQLGR-SUJAAXHWSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)[C@@H]1CCCN1 ZINC000422779911 393642481 /nfs/dbraw/zinc/64/24/81/393642481.db2.gz CGGLDRBSEGQLGR-SUJAAXHWSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000422787455 393642656 /nfs/dbraw/zinc/64/26/56/393642656.db2.gz MBYYUFJSPUGTPU-UYJHQMFVSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000422922166 393645737 /nfs/dbraw/zinc/64/57/37/393645737.db2.gz PRJNDGODUDUFGH-DCAQKATOSA-N 1 3 274.330 3.482 20 0 CGADHO CC1(C)C[C@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000422987149 393647802 /nfs/dbraw/zinc/64/78/02/393647802.db2.gz FMDNZJJGBFJSCM-CJNGLKHVSA-N 1 3 258.409 3.141 20 0 CGADHO C[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000432856932 393653670 /nfs/dbraw/zinc/65/36/70/393653670.db2.gz BZRKZRUOJMTSNM-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N)c2cccc(Br)c21 ZINC000423281483 393659071 /nfs/dbraw/zinc/65/90/71/393659071.db2.gz BJYVTQVEDIBTEC-BXKDBHETSA-N 1 3 297.240 3.324 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1nccc2ccccc21 ZINC000423376332 393663909 /nfs/dbraw/zinc/66/39/09/393663909.db2.gz VAWOUHRAOOAMEX-NWANDNLSSA-N 1 3 269.392 3.155 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)c3ccsc32)CCN1 ZINC000423368435 393664057 /nfs/dbraw/zinc/66/40/57/393664057.db2.gz AXIMLHVSICIJFT-SFTQSGBHSA-N 1 3 264.438 3.417 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423484167 393669821 /nfs/dbraw/zinc/66/98/21/393669821.db2.gz YIYZDJRPIJLUDX-WBMJQRKESA-N 1 3 271.408 3.181 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423499637 393672261 /nfs/dbraw/zinc/67/22/61/393672261.db2.gz CHWGEVWTRSJDFX-HSALFYBXSA-N 1 3 294.442 3.353 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]CCCNC2CC2)c2sccc21 ZINC000423568625 393673150 /nfs/dbraw/zinc/67/31/50/393673150.db2.gz VSQLWJYDIPBHCL-FZMZJTMJSA-N 1 3 264.438 3.418 20 0 CGADHO CC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cccs1 ZINC000423535936 393673404 /nfs/dbraw/zinc/67/34/04/393673404.db2.gz YPLINRFGWDXYSJ-OLZOCXBDSA-N 1 3 252.427 3.306 20 0 CGADHO CC(CN1CC[C@@H](C2CC2)C1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491232907 393674283 /nfs/dbraw/zinc/67/42/83/393674283.db2.gz UTVIFXVFDAIYFI-QZTJIDSGSA-N 1 3 276.468 3.086 20 0 CGADHO CC(CN1CC[C@@H](C2CC2)C1)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491232907 393674286 /nfs/dbraw/zinc/67/42/86/393674286.db2.gz UTVIFXVFDAIYFI-QZTJIDSGSA-N 1 3 276.468 3.086 20 0 CGADHO CC[NH+](CC)CCOCCNCc1ccc(C)c(Cl)c1 ZINC000443999139 393782093 /nfs/dbraw/zinc/78/20/93/393782093.db2.gz BGIWCWXBYIYBCT-UHFFFAOYSA-N 1 3 298.858 3.096 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000666993886 542832391 /nfs/dbraw/zinc/83/23/91/542832391.db2.gz QSGQFXQMXNMZDM-WBVHZDCISA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1F ZINC000449264193 393877843 /nfs/dbraw/zinc/87/78/43/393877843.db2.gz LFWLZBOOHQUDKO-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1F ZINC000449264193 393877848 /nfs/dbraw/zinc/87/78/48/393877848.db2.gz LFWLZBOOHQUDKO-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H](CCN[C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1 ZINC000666993886 542832395 /nfs/dbraw/zinc/83/23/95/542832395.db2.gz QSGQFXQMXNMZDM-WBVHZDCISA-N 1 3 272.436 3.445 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993710 542832775 /nfs/dbraw/zinc/83/27/75/542832775.db2.gz GBQWQARLOXMPPI-HNNXBMFYSA-N 1 3 250.430 3.221 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@@H]1C ZINC000666995465 542833454 /nfs/dbraw/zinc/83/34/54/542833454.db2.gz OOEAGLRETGYLPI-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995654 542833597 /nfs/dbraw/zinc/83/35/97/542833597.db2.gz VLKCBYUQLZMRIT-PBHICJAKSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H](CCc1cccc(F)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995654 542833601 /nfs/dbraw/zinc/83/36/01/542833601.db2.gz VLKCBYUQLZMRIT-PBHICJAKSA-N 1 3 290.426 3.411 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@H]2CCNC3(CCC3)C2)cc1C ZINC000666999490 542834869 /nfs/dbraw/zinc/83/48/69/542834869.db2.gz OCPFMUUNHMOBGG-KRWDZBQOSA-N 1 3 272.436 3.376 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCNC3(CCC3)C2)cc1C ZINC000666999495 542834933 /nfs/dbraw/zinc/83/49/33/542834933.db2.gz PQLNYBHSPAIGCW-MRXNPFEDSA-N 1 3 258.409 3.068 20 0 CGADHO CCC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)C(C)(C)C ZINC000453062952 394157093 /nfs/dbraw/zinc/15/70/93/394157093.db2.gz RGOQJLLRLBIMFM-QGZVFWFLSA-N 1 3 297.531 3.209 20 0 CGADHO CCC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000453082692 394165175 /nfs/dbraw/zinc/16/51/75/394165175.db2.gz MEXAFIKCSJUOJE-NUJGCVRESA-N 1 3 296.499 3.434 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1csc(C)c1 ZINC000453192818 394201434 /nfs/dbraw/zinc/20/14/34/394201434.db2.gz KIOQZLLJKHWNOE-CQSZACIVSA-N 1 3 284.469 3.066 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1(C2CCC2)CCC1 ZINC000453395454 394231719 /nfs/dbraw/zinc/23/17/19/394231719.db2.gz JUEHZLLZNJLTJJ-CVEARBPZSA-N 1 3 262.441 3.173 20 0 CGADHO COC(C)(C)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000469597880 292054705 /nfs/dbraw/zinc/05/47/05/292054705.db2.gz ZVJMQULOANJPHH-KRWDZBQOSA-N 1 3 296.499 3.390 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668812 543041337 /nfs/dbraw/zinc/04/13/37/543041337.db2.gz DHCGSSCIYBQPMX-FXXCCUJSSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000668668812 543041338 /nfs/dbraw/zinc/04/13/38/543041338.db2.gz DHCGSSCIYBQPMX-FXXCCUJSSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264875 543146671 /nfs/dbraw/zinc/14/66/71/543146671.db2.gz MDYHRUCAAFJJRN-GJZGRUSLSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264875 543146672 /nfs/dbraw/zinc/14/66/72/543146672.db2.gz MDYHRUCAAFJJRN-GJZGRUSLSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264914 543146755 /nfs/dbraw/zinc/14/67/55/543146755.db2.gz RAUWGTDDRRZWNM-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264914 543146757 /nfs/dbraw/zinc/14/67/57/543146757.db2.gz RAUWGTDDRRZWNM-CVEARBPZSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265135 543148388 /nfs/dbraw/zinc/14/83/88/543148388.db2.gz QYQOKALLJXKYHY-LSDHHAIUSA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670265135 543148389 /nfs/dbraw/zinc/14/83/89/543148389.db2.gz QYQOKALLJXKYHY-LSDHHAIUSA-N 1 3 254.462 3.332 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000062077691 397638272 /nfs/dbraw/zinc/63/82/72/397638272.db2.gz XCYLZJGHXAADPO-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CC(C)C[C@H](C)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000302441641 397676465 /nfs/dbraw/zinc/67/64/65/397676465.db2.gz WLGBJGTVHLHRLU-HRCADAONSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc([C@@H]([NH2+]C[C@H](C)CN(C)C)C2CC2)cc1 ZINC000388908523 397690887 /nfs/dbraw/zinc/69/08/87/397690887.db2.gz MRGVAKAYNAKOMC-WMLDXEAASA-N 1 3 260.425 3.233 20 0 CGADHO Cc1ccc([C@@H](NC[C@H](C)C[NH+](C)C)C2CC2)cc1 ZINC000388908523 397690888 /nfs/dbraw/zinc/69/08/88/397690888.db2.gz MRGVAKAYNAKOMC-WMLDXEAASA-N 1 3 260.425 3.233 20 0 CGADHO COCCC1([NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000419691726 397699593 /nfs/dbraw/zinc/69/95/93/397699593.db2.gz AAYUVMKDGLPNMX-UHFFFAOYSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@@H]1CCCN(C/C=C\c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000650711568 397898727 /nfs/dbraw/zinc/89/87/27/397898727.db2.gz XOGOAGUFZHVFRI-DKJXMLAJSA-N 1 3 276.399 3.288 20 0 CGADHO COC[C@@H](NCCC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000650762069 397912099 /nfs/dbraw/zinc/91/20/99/397912099.db2.gz RVJLRSJKLWWKOM-MRXNPFEDSA-N 1 3 296.842 3.007 20 0 CGADHO Cc1cccc([C@H](C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677241217 543441118 /nfs/dbraw/zinc/44/11/18/543441118.db2.gz NQCIDWMUFCHNSV-NJAFHUGGSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1cccc([C@H](C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677241217 543441121 /nfs/dbraw/zinc/44/11/21/543441121.db2.gz NQCIDWMUFCHNSV-NJAFHUGGSA-N 1 3 272.436 3.315 20 0 CGADHO CCC[N@H+](Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000678138059 543487065 /nfs/dbraw/zinc/48/70/65/543487065.db2.gz ARSPBNPDFWPMJZ-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CCC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000678138059 543487068 /nfs/dbraw/zinc/48/70/68/543487068.db2.gz ARSPBNPDFWPMJZ-UHFFFAOYSA-N 1 3 276.424 3.001 20 0 CGADHO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678139671 543487436 /nfs/dbraw/zinc/48/74/36/543487436.db2.gz BZONSHMWMCEQKF-GOSISDBHSA-N 1 3 290.451 3.247 20 0 CGADHO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000678139671 543487439 /nfs/dbraw/zinc/48/74/39/543487439.db2.gz BZONSHMWMCEQKF-GOSISDBHSA-N 1 3 290.451 3.247 20 0 CGADHO C[NH+](C)C1CCN(C[C@H]2CCCC(C)(C)C2)CC1 ZINC000678152933 543489578 /nfs/dbraw/zinc/48/95/78/543489578.db2.gz GSUAHQNJQRCSGZ-AWEZNQCLSA-N 1 3 252.446 3.229 20 0 CGADHO CCOCCC1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422892662 286048165 /nfs/dbraw/zinc/04/81/65/286048165.db2.gz ZANDNZVQXPJZHW-JKSUJKDBSA-N 1 3 282.472 3.094 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000423527377 296616488 /nfs/dbraw/zinc/61/64/88/296616488.db2.gz METCXQWHGOKPBS-ROUUACIJSA-N 1 3 272.436 3.445 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000422900341 296616560 /nfs/dbraw/zinc/61/65/60/296616560.db2.gz QDKNXTZNRUEEPX-FGTMMUONSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCCc2ccccc21 ZINC000423364685 297108044 /nfs/dbraw/zinc/10/80/44/297108044.db2.gz CSFLWTQCLWPXKN-COXVUDFISA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000423364685 297108047 /nfs/dbraw/zinc/10/80/47/297108047.db2.gz CSFLWTQCLWPXKN-COXVUDFISA-N 1 3 258.409 3.042 20 0 CGADHO COCC1CCC([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000449242718 292263987 /nfs/dbraw/zinc/26/39/87/292263987.db2.gz YSPRLNLQUNDRHQ-GTPINHCMSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000071121950 286992287 /nfs/dbraw/zinc/99/22/87/286992287.db2.gz MLMRVICGAOKUKF-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076453967 287033823 /nfs/dbraw/zinc/03/38/23/287033823.db2.gz WBQSFBRLYKDVFY-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076453967 287033826 /nfs/dbraw/zinc/03/38/26/287033826.db2.gz WBQSFBRLYKDVFY-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO CCC[N@H+]1CC[C@H](CNCCc2ccc(Cl)cc2)C1 ZINC000076453967 287033827 /nfs/dbraw/zinc/03/38/27/287033827.db2.gz WBQSFBRLYKDVFY-OAHLLOKOSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@H](N)C[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000084389661 165175152 /nfs/dbraw/zinc/17/51/52/165175152.db2.gz COHVWRASVRHATA-GJZGRUSLSA-N 1 3 260.425 3.067 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000084389661 165175156 /nfs/dbraw/zinc/17/51/56/165175156.db2.gz COHVWRASVRHATA-GJZGRUSLSA-N 1 3 260.425 3.067 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc3ccccc32)C1 ZINC000093215830 165323495 /nfs/dbraw/zinc/32/34/95/165323495.db2.gz CYYIOXNDSSDPKH-CVEARBPZSA-N 1 3 254.377 3.199 20 0 CGADHO CC[C@@H](C)C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000093067050 287114750 /nfs/dbraw/zinc/11/47/50/287114750.db2.gz PZZUGLBGEDLWAN-SJLPKXTDSA-N 1 3 274.452 3.187 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000119237501 287166889 /nfs/dbraw/zinc/16/68/89/287166889.db2.gz MGEAGKCBIOIYJA-NVXWUHKLSA-N 1 3 290.451 3.214 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000119237378 287167103 /nfs/dbraw/zinc/16/71/03/287167103.db2.gz MGEAGKCBIOIYJA-WBVHZDCISA-N 1 3 290.451 3.214 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000121384056 287197595 /nfs/dbraw/zinc/19/75/95/287197595.db2.gz FKPPDAGQWRRXMY-QGZVFWFLSA-N 1 3 274.452 3.236 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000121384056 287197597 /nfs/dbraw/zinc/19/75/97/287197597.db2.gz FKPPDAGQWRRXMY-QGZVFWFLSA-N 1 3 274.452 3.236 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000121384056 287197600 /nfs/dbraw/zinc/19/76/00/287197600.db2.gz FKPPDAGQWRRXMY-QGZVFWFLSA-N 1 3 274.452 3.236 20 0 CGADHO C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CCCC1 ZINC000122390249 287209236 /nfs/dbraw/zinc/20/92/36/287209236.db2.gz KOEBLKNBSAKCBM-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1ccc(C[NH2+]CCCN2CCC(C)CC2)s1 ZINC000020146348 171032442 /nfs/dbraw/zinc/03/24/42/171032442.db2.gz PEEOIQOSKAMEGL-UHFFFAOYSA-N 1 3 266.454 3.268 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(SC)cc2)CC1 ZINC000020190087 171056994 /nfs/dbraw/zinc/05/69/94/171056994.db2.gz HPJBPYJDHKIFIS-UHFFFAOYSA-N 1 3 278.465 3.373 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCC12CCC2 ZINC000337411593 287268311 /nfs/dbraw/zinc/26/83/11/287268311.db2.gz WGNWIRDEWCRXBZ-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)N1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285579200 196332685 /nfs/dbraw/zinc/33/26/85/196332685.db2.gz WTZQRCMRUSYUNV-ONEGZZNKSA-N 1 3 294.389 3.440 20 0 CGADHO CCCN(Cc1cc(C)cc(C)c1)C1CC[NH2+]CC1 ZINC000037539205 173260310 /nfs/dbraw/zinc/26/03/10/173260310.db2.gz FXBWEQATSVEKDA-UHFFFAOYSA-N 1 3 260.425 3.267 20 0 CGADHO C[NH2+]C[C@H]1CCCN(Cc2cccc3ccccc32)C1 ZINC000040591735 174347008 /nfs/dbraw/zinc/34/70/08/174347008.db2.gz QYWGBGZLCSHJRT-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000040620900 174355174 /nfs/dbraw/zinc/35/51/74/174355174.db2.gz YWYSKNHQABYOPU-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000414827857 289772013 /nfs/dbraw/zinc/77/20/13/289772013.db2.gz YOPIINFBNIINCR-XIRDDKMYSA-N 1 3 260.425 3.115 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127993273 287300797 /nfs/dbraw/zinc/30/07/97/287300797.db2.gz UZPQDRDHEVLTOQ-DLBZAZTESA-N 1 3 272.436 3.181 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127993273 287300799 /nfs/dbraw/zinc/30/07/99/287300799.db2.gz UZPQDRDHEVLTOQ-DLBZAZTESA-N 1 3 272.436 3.181 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432817795 287306862 /nfs/dbraw/zinc/30/68/62/287306862.db2.gz UCKSAJJDGYZPON-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432817795 287306865 /nfs/dbraw/zinc/30/68/65/287306865.db2.gz UCKSAJJDGYZPON-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO C1[C@@H]2CC[C@@H]([NH2+][C@H]3CCC[C@H]3[C@H]3CCCCN3)C[C@H]12 ZINC000403327926 416548379 /nfs/dbraw/zinc/54/83/79/416548379.db2.gz BAUQGHCAILKWSZ-NYXISSTPSA-N 1 3 262.441 3.075 20 0 CGADHO C[C@H]1CCCN(Cc2coc3ccccc23)[C@@H]1CC[NH3+] ZINC000404267813 416552712 /nfs/dbraw/zinc/55/27/12/416552712.db2.gz IPAYQLGLMGSFRW-XJKSGUPXSA-N 1 3 272.392 3.382 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)[C@H]1CC[NH3+] ZINC000404330063 416552805 /nfs/dbraw/zinc/55/28/05/416552805.db2.gz YLUOAALQVXZPRI-DOMZBBRYSA-N 1 3 298.377 3.237 20 0 CGADHO Cc1ccc(F)cc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404403297 416554393 /nfs/dbraw/zinc/55/43/93/416554393.db2.gz SOFIWBUKWJYHNF-XJKSGUPXSA-N 1 3 264.388 3.083 20 0 CGADHO Cc1ccc(F)cc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404403296 416554628 /nfs/dbraw/zinc/55/46/28/416554628.db2.gz SOFIWBUKWJYHNF-CZUORRHYSA-N 1 3 264.388 3.083 20 0 CGADHO C[N@H+](CCCN[C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358786 416492656 /nfs/dbraw/zinc/49/26/56/416492656.db2.gz KKTSOLMRNBTQAI-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO C[N@@H+](CCCN[C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358786 416492658 /nfs/dbraw/zinc/49/26/58/416492658.db2.gz KKTSOLMRNBTQAI-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO CN(CCC[NH2+][C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000070358786 416492664 /nfs/dbraw/zinc/49/26/64/416492664.db2.gz KKTSOLMRNBTQAI-OAHLLOKOSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)=CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682948211 543881402 /nfs/dbraw/zinc/88/14/02/543881402.db2.gz RISLXOMKMSKQTM-UHFFFAOYSA-N 1 3 288.435 3.217 20 0 CGADHO CC1=C[C@H](C)C[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684682831 544025268 /nfs/dbraw/zinc/02/52/68/544025268.db2.gz FPFFJXWRJHRFHM-HNNXBMFYSA-N 1 3 288.435 3.025 20 0 CGADHO CC1=C[C@H](C)C[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684682831 544025269 /nfs/dbraw/zinc/02/52/69/544025269.db2.gz FPFFJXWRJHRFHM-HNNXBMFYSA-N 1 3 288.435 3.025 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccccc2F)C1 ZINC000685455187 544073411 /nfs/dbraw/zinc/07/34/11/544073411.db2.gz CQRVSIDFWPSTBX-HZPDHXFCSA-N 1 3 292.442 3.467 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470766 544077245 /nfs/dbraw/zinc/07/72/45/544077245.db2.gz QNAXHBFDRQXUFX-RHSMWYFYSA-N 1 3 284.403 3.349 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2coc3ccccc23)C1 ZINC000685470766 544077246 /nfs/dbraw/zinc/07/72/46/544077246.db2.gz QNAXHBFDRQXUFX-RHSMWYFYSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2coc3ccccc23)C1 ZINC000685470766 544077248 /nfs/dbraw/zinc/07/72/48/544077248.db2.gz QNAXHBFDRQXUFX-RHSMWYFYSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2coc3ccccc23)C1 ZINC000685470766 544077250 /nfs/dbraw/zinc/07/72/50/544077250.db2.gz QNAXHBFDRQXUFX-RHSMWYFYSA-N 1 3 284.403 3.349 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000536827200 288504186 /nfs/dbraw/zinc/50/41/86/288504186.db2.gz POTBGIXFKYBGQZ-SJLPKXTDSA-N 1 3 287.451 3.466 20 0 CGADHO CC[C@@H](NCCC[N@H+](CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237302 418940100 /nfs/dbraw/zinc/94/01/00/418940100.db2.gz KQWUTJWKLDMVDE-FUHWJXTLSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@@H](NCCC[N@@H+](CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237302 418940104 /nfs/dbraw/zinc/94/01/04/418940104.db2.gz KQWUTJWKLDMVDE-FUHWJXTLSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@@H]([NH2+]CCCN(CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237302 418940107 /nfs/dbraw/zinc/94/01/07/418940107.db2.gz KQWUTJWKLDMVDE-FUHWJXTLSA-N 1 3 296.499 3.436 20 0 CGADHO c1cc2c(s1)CCCN(Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000652337825 418954369 /nfs/dbraw/zinc/95/43/69/418954369.db2.gz MCACGFHUCVQPIO-UHFFFAOYSA-N 1 3 298.455 3.342 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655734637 419081038 /nfs/dbraw/zinc/08/10/38/419081038.db2.gz LHKSAEYIDKWWJF-BZUAXINKSA-N 1 3 284.513 3.228 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237436 419088628 /nfs/dbraw/zinc/08/86/28/419088628.db2.gz AUTSWJKFUOVVCM-GJZGRUSLSA-N 1 3 272.417 3.385 20 0 CGADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665246442 419090358 /nfs/dbraw/zinc/09/03/58/419090358.db2.gz FZFOSDGGNSEHSF-IAOVAPTHSA-N 1 3 288.435 3.048 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263998 419096109 /nfs/dbraw/zinc/09/61/09/419096109.db2.gz ZSVMDQQNDXYCEJ-WEVKCVHISA-N 1 3 276.468 3.323 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000665274218 419098015 /nfs/dbraw/zinc/09/80/15/419098015.db2.gz LYTJQZCFLMHDTO-RMNLLRHXSA-N 1 3 293.430 3.416 20 0 CGADHO CCC[C@H]([NH2+]CC12CC(C1)CN2)C1CCCCC1 ZINC000665276847 419100295 /nfs/dbraw/zinc/10/02/95/419100295.db2.gz NXXGAZUEIVOYGJ-SIWZUTFBSA-N 1 3 250.430 3.077 20 0 CGADHO CCC[C@H](NCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000665276847 419100299 /nfs/dbraw/zinc/10/02/99/419100299.db2.gz NXXGAZUEIVOYGJ-SIWZUTFBSA-N 1 3 250.430 3.077 20 0 CGADHO COc1cc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)ccc1SC ZINC000665280575 419102021 /nfs/dbraw/zinc/10/20/21/419102021.db2.gz GPIHAGAEQINDAP-TZMCWYRMSA-N 1 3 296.480 3.441 20 0 CGADHO C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CCCN1 ZINC000665282732 419103176 /nfs/dbraw/zinc/10/31/76/419103176.db2.gz APCYGKICAWOMEK-MFNGEMCRSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)CNC ZINC000665295769 419108433 /nfs/dbraw/zinc/10/84/33/419108433.db2.gz ISSBMGDBEQSWGN-WCQYABFASA-N 1 3 286.872 3.408 20 0 CGADHO CCC[NH+]1CCC(N(C)C[C@@H](OC)C2CCCCC2)CC1 ZINC000659983989 419055342 /nfs/dbraw/zinc/05/53/42/419055342.db2.gz ZYEMPABSRPZMAU-GOSISDBHSA-N 1 3 296.499 3.388 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000655688284 419064849 /nfs/dbraw/zinc/06/48/49/419064849.db2.gz UZTMHKFXOYSGEU-YJBOKZPZSA-N 1 3 284.447 3.365 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000655688284 419064857 /nfs/dbraw/zinc/06/48/57/419064857.db2.gz UZTMHKFXOYSGEU-YJBOKZPZSA-N 1 3 284.447 3.365 20 0 CGADHO C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000655948707 419129596 /nfs/dbraw/zinc/12/95/96/419129596.db2.gz AGFLKZUVHCSBFO-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000655948707 419129600 /nfs/dbraw/zinc/12/96/00/419129600.db2.gz AGFLKZUVHCSBFO-CVEARBPZSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@H](OCCN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656193239 419148296 /nfs/dbraw/zinc/14/82/96/419148296.db2.gz BMYAKLNNKBCTPG-IKGGRYGDSA-N 1 3 276.424 3.014 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656088 419176962 /nfs/dbraw/zinc/17/69/62/419176962.db2.gz PRBUSNYZFPJBAT-NVXWUHKLSA-N 1 3 258.409 3.165 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656088 419176964 /nfs/dbraw/zinc/17/69/64/419176964.db2.gz PRBUSNYZFPJBAT-NVXWUHKLSA-N 1 3 258.409 3.165 20 0 CGADHO CSc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660665066 419180300 /nfs/dbraw/zinc/18/03/00/419180300.db2.gz TZFHEBUAYVCYBO-KRWDZBQOSA-N 1 3 290.476 3.326 20 0 CGADHO CSc1ccccc1C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660665066 419180302 /nfs/dbraw/zinc/18/03/02/419180302.db2.gz TZFHEBUAYVCYBO-KRWDZBQOSA-N 1 3 290.476 3.326 20 0 CGADHO CC[C@@H]([NH2+]CC[C@H](C)N(C)C)c1ccc(F)cc1 ZINC000656682538 419200820 /nfs/dbraw/zinc/20/08/20/419200820.db2.gz UETUARQPCLBNIY-SWLSCSKDSA-N 1 3 252.377 3.207 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656786616 419218963 /nfs/dbraw/zinc/21/89/63/419218963.db2.gz OIZOBSPKYQFPLS-KDOFPFPSSA-N 1 3 272.436 3.432 20 0 CGADHO Fc1ccccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785509 419218997 /nfs/dbraw/zinc/21/89/97/419218997.db2.gz KZLBUHGNNAFKTF-OAHLLOKOSA-N 1 3 276.399 3.037 20 0 CGADHO N[C@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C1CC1 ZINC000656786678 419219396 /nfs/dbraw/zinc/21/93/96/419219396.db2.gz OTHJFYMRNNXMPJ-QGZVFWFLSA-N 1 3 258.409 3.171 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2nccc3ccccc32)C1 ZINC000657182827 419229846 /nfs/dbraw/zinc/22/98/46/419229846.db2.gz GMUAZIKGTFJKCF-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2nccc3ccccc32)C1 ZINC000657182827 419229849 /nfs/dbraw/zinc/22/98/49/419229849.db2.gz GMUAZIKGTFJKCF-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO c1cc(CCNC2CC[NH+](C3CCCCC3)CC2)co1 ZINC000657654641 419318997 /nfs/dbraw/zinc/31/89/97/419318997.db2.gz WZFWDGSWMVNZMW-UHFFFAOYSA-N 1 3 276.424 3.209 20 0 CGADHO c1cc(CC[NH2+]C2CCN(C3CCCCC3)CC2)co1 ZINC000657654641 419319001 /nfs/dbraw/zinc/31/90/01/419319001.db2.gz WZFWDGSWMVNZMW-UHFFFAOYSA-N 1 3 276.424 3.209 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCCSCC1 ZINC000657822797 419372685 /nfs/dbraw/zinc/37/26/85/419372685.db2.gz BGQBTHWLVXRMEQ-GJZGRUSLSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657838625 419380667 /nfs/dbraw/zinc/38/06/67/419380667.db2.gz DIEMGJLFZMXZLR-BZUAXINKSA-N 1 3 284.513 3.230 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284364 419386014 /nfs/dbraw/zinc/38/60/14/419386014.db2.gz MTYSIEAMUQYNKA-JOCBIADPSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284364 419386016 /nfs/dbraw/zinc/38/60/16/419386016.db2.gz MTYSIEAMUQYNKA-JOCBIADPSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662284364 419386019 /nfs/dbraw/zinc/38/60/19/419386019.db2.gz MTYSIEAMUQYNKA-JOCBIADPSA-N 1 3 272.436 3.382 20 0 CGADHO c1ccc(C2CCC([NH2+]CC34CC(C3)CN4)CC2)cc1 ZINC000663498209 419635393 /nfs/dbraw/zinc/63/53/93/419635393.db2.gz NJLLPURGLQFCTP-UHFFFAOYSA-N 1 3 270.420 3.054 20 0 CGADHO c1ccc(C2CCC(NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000663498209 419635401 /nfs/dbraw/zinc/63/54/01/419635401.db2.gz NJLLPURGLQFCTP-UHFFFAOYSA-N 1 3 270.420 3.054 20 0 CGADHO Clc1ccc([C@H]2CCC[C@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000663498625 419635817 /nfs/dbraw/zinc/63/58/17/419635817.db2.gz RHDCZJLZLJSMHJ-UNXMRWRESA-N 1 3 290.838 3.318 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)s1 ZINC000663347312 419570125 /nfs/dbraw/zinc/57/01/25/419570125.db2.gz KAPWNKUTPNBXMK-HNNXBMFYSA-N 1 3 278.465 3.268 20 0 CGADHO C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663466054 419616048 /nfs/dbraw/zinc/61/60/48/419616048.db2.gz NORSTSBFSWZJOZ-DLBZAZTESA-N 1 3 276.468 3.421 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CCSCC1 ZINC000663464678 419617928 /nfs/dbraw/zinc/61/79/28/419617928.db2.gz FYKLFNCLQSBQTM-GOEBONIOSA-N 1 3 296.524 3.230 20 0 CGADHO CCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468868 419622545 /nfs/dbraw/zinc/62/25/45/419622545.db2.gz NBSWXPPKSVWXNQ-ZBFHGGJFSA-N 1 3 252.446 3.277 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658160902 419623806 /nfs/dbraw/zinc/62/38/06/419623806.db2.gz GZCWCZFTWDCWLH-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000658160902 419623814 /nfs/dbraw/zinc/62/38/14/419623814.db2.gz GZCWCZFTWDCWLH-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO C[NH2+]C[C@@H](C)NC1CCC(C)(c2ccccc2)CC1 ZINC000663510055 419641959 /nfs/dbraw/zinc/64/19/59/419641959.db2.gz OLEUBVSYGIVALI-ODIFPOPNSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@H]1CCC[C@H](C)[NH+]1CCNc1nccc2[nH]ccc21 ZINC000663578296 419652646 /nfs/dbraw/zinc/65/26/46/419652646.db2.gz XSDIARXNUORLIR-STQMWFEESA-N 1 3 272.396 3.238 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000658205781 419658441 /nfs/dbraw/zinc/65/84/41/419658441.db2.gz JORRQDCZXHWCKB-YCPHGPKFSA-N 1 3 264.457 3.275 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390586579 262223738 /nfs/dbraw/zinc/22/37/38/262223738.db2.gz NJNDVCSFRVRXKP-QZTJIDSGSA-N 1 3 290.451 3.091 20 0 CGADHO CCc1[nH+]c2ccccc2c(NCC2=CCN(C)CC2)c1C ZINC000521486607 262302918 /nfs/dbraw/zinc/30/29/18/262302918.db2.gz QYHMPZDQRFGOEV-UHFFFAOYSA-N 1 3 295.430 3.201 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000044532544 270036570 /nfs/dbraw/zinc/03/65/70/270036570.db2.gz DWCCRTQRYIFQCY-QWHCGFSZSA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044532544 270036571 /nfs/dbraw/zinc/03/65/71/270036571.db2.gz DWCCRTQRYIFQCY-QWHCGFSZSA-N 1 3 266.454 3.303 20 0 CGADHO CSc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534654 270036745 /nfs/dbraw/zinc/03/67/45/270036745.db2.gz VBKVLOJGHHGVIE-KBPBESRZSA-N 1 3 278.465 3.401 20 0 CGADHO CSc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534654 270036746 /nfs/dbraw/zinc/03/67/46/270036746.db2.gz VBKVLOJGHHGVIE-KBPBESRZSA-N 1 3 278.465 3.401 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CC2CCN(C)CC2)s1 ZINC000044517007 270036814 /nfs/dbraw/zinc/03/68/14/270036814.db2.gz XGCSPARLVKLVLF-LBPRGKRZSA-N 1 3 266.454 3.303 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)ccc2c1 ZINC000105480839 270047683 /nfs/dbraw/zinc/04/76/83/270047683.db2.gz SOJGQQIRUVORKB-LIRRHRJNSA-N 1 3 298.430 3.278 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@@H+](C)C[C@@H]3C)ccc2c1 ZINC000105480839 270047684 /nfs/dbraw/zinc/04/76/84/270047684.db2.gz SOJGQQIRUVORKB-LIRRHRJNSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000186211919 270065098 /nfs/dbraw/zinc/06/50/98/270065098.db2.gz VZUIANHQVNDJJR-GFCCVEGCSA-N 1 3 252.446 3.464 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190177378 270073071 /nfs/dbraw/zinc/07/30/71/270073071.db2.gz DWALWTXDRMGIQJ-QWHCGFSZSA-N 1 3 292.389 3.381 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190177378 270073072 /nfs/dbraw/zinc/07/30/72/270073072.db2.gz DWALWTXDRMGIQJ-QWHCGFSZSA-N 1 3 292.389 3.381 20 0 CGADHO CCC[NH+]1CCC(NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000229281394 270088376 /nfs/dbraw/zinc/08/83/76/270088376.db2.gz GYKHTCXJDFSFDZ-QGZVFWFLSA-N 1 3 294.483 3.332 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CC12CC2 ZINC000527861812 270140341 /nfs/dbraw/zinc/14/03/41/270140341.db2.gz DCZBTRDSJQBQEL-PBHICJAKSA-N 1 3 285.435 3.076 20 0 CGADHO C1=CCC(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000527949588 270146493 /nfs/dbraw/zinc/14/64/93/270146493.db2.gz OGTKRVBMWNRLIE-HSALFYBXSA-N 1 3 296.458 3.453 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCCCC1 ZINC000530219352 270196145 /nfs/dbraw/zinc/19/61/45/270196145.db2.gz LLHFWVJVJZKKFV-CABCVRRESA-N 1 3 250.430 3.220 20 0 CGADHO CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000530219352 270196146 /nfs/dbraw/zinc/19/61/46/270196146.db2.gz LLHFWVJVJZKKFV-CABCVRRESA-N 1 3 250.430 3.220 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000420257818 273766890 /nfs/dbraw/zinc/76/68/90/273766890.db2.gz WYZRFYGIXVYJNV-SWLSCSKDSA-N 1 3 269.392 3.032 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000423297505 274213982 /nfs/dbraw/zinc/21/39/82/274213982.db2.gz KNTIXQKXXGLINE-YJBOKZPZSA-N 1 3 268.404 3.155 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1cccc2Br)[C@H](C)N ZINC000423449496 274263938 /nfs/dbraw/zinc/26/39/38/274263938.db2.gz RRQBZENIXHYSBA-COMAGPEQSA-N 1 3 297.240 3.323 20 0 CGADHO C[C@@H]1CCC[C@@H](CC[N@H+](C)[C@@H]2CCCNCC2)C1 ZINC000358339284 274294311 /nfs/dbraw/zinc/29/43/11/274294311.db2.gz XSNOVKVRZZZCKF-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)[C@@H]2CCCNCC2)C1 ZINC000358339284 274294312 /nfs/dbraw/zinc/29/43/12/274294312.db2.gz XSNOVKVRZZZCKF-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000070112249 287788303 /nfs/dbraw/zinc/78/83/03/287788303.db2.gz HVFZADSZKFZIRP-RKVPGOIHSA-N 1 3 287.451 3.465 20 0 CGADHO Oc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CCC2 ZINC000423398145 275061230 /nfs/dbraw/zinc/06/12/30/275061230.db2.gz UANNETXGFABOFP-LJQANCHMSA-N 1 3 294.398 3.163 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422966568 275068856 /nfs/dbraw/zinc/06/88/56/275068856.db2.gz NTAWFCVXYFSHKW-LTFXXXRZSA-N 1 3 284.447 3.443 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)C[NH2+]C2 ZINC000423353560 275069371 /nfs/dbraw/zinc/06/93/71/275069371.db2.gz DRTZLISPKRBWCC-IBGZPJMESA-N 1 3 278.399 3.457 20 0 CGADHO C(N1CCC([NH+]2CCCC2)CC1)C12CCC(CC1)C2 ZINC000347748726 275394352 /nfs/dbraw/zinc/39/43/52/275394352.db2.gz MOVLWOVEDPFSDP-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO C([NH+]1CCC(N2CCCC2)CC1)C12CCC(CC1)C2 ZINC000347748726 275394362 /nfs/dbraw/zinc/39/43/62/275394362.db2.gz MOVLWOVEDPFSDP-UHFFFAOYSA-N 1 3 262.441 3.127 20 0 CGADHO C([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CCCNC1 ZINC000313087310 275395682 /nfs/dbraw/zinc/39/56/82/275395682.db2.gz WICUAUVKOZCXAR-GJZGRUSLSA-N 1 3 250.430 3.079 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000251908259 287837414 /nfs/dbraw/zinc/83/74/14/287837414.db2.gz XMHSDPVOOXRGDC-XHSDSOJGSA-N 1 3 252.446 3.277 20 0 CGADHO CC1(C)C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000423404832 275869705 /nfs/dbraw/zinc/86/97/05/275869705.db2.gz XTWAYADZJYCNJZ-XEZPLFJOSA-N 1 3 258.409 3.269 20 0 CGADHO CC1=C[C@@H](C)C[C@H](C[NH2+]CCCN(C)C(C)C)C1 ZINC000226339329 276184155 /nfs/dbraw/zinc/18/41/55/276184155.db2.gz HFHKMMPPWWQGIH-ZBFHGGJFSA-N 1 3 252.446 3.299 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCNC1CCCCCC1 ZINC000423267994 276330949 /nfs/dbraw/zinc/33/09/49/276330949.db2.gz DDELSJDCAIGOHE-RDJZCZTQSA-N 1 3 282.472 3.094 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000166151950 276362216 /nfs/dbraw/zinc/36/22/16/276362216.db2.gz PGFNHGZDILQJNP-SJORKVTESA-N 1 3 294.483 3.044 20 0 CGADHO C([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CCCNC1 ZINC000313087316 276814093 /nfs/dbraw/zinc/81/40/93/276814093.db2.gz WICUAUVKOZCXAR-LSDHHAIUSA-N 1 3 250.430 3.079 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000271866921 277023507 /nfs/dbraw/zinc/02/35/07/277023507.db2.gz LPFAEONRHYPZQW-INIZCTEOSA-N 1 3 276.811 3.179 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCC(F)(F)C2)CC1 ZINC000336380392 277152168 /nfs/dbraw/zinc/15/21/68/277152168.db2.gz WJGQKMZIBKFFKT-ZDUSSCGKSA-N 1 3 274.399 3.417 20 0 CGADHO CC(C)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000409445177 277390117 /nfs/dbraw/zinc/39/01/17/277390117.db2.gz HTAOVYYIVQVVTP-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000409445177 277390118 /nfs/dbraw/zinc/39/01/18/277390118.db2.gz HTAOVYYIVQVVTP-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000409445177 277390119 /nfs/dbraw/zinc/39/01/19/277390119.db2.gz HTAOVYYIVQVVTP-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC000409445177 277390120 /nfs/dbraw/zinc/39/01/20/277390120.db2.gz HTAOVYYIVQVVTP-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000409445176 277395030 /nfs/dbraw/zinc/39/50/30/277395030.db2.gz HTAOVYYIVQVVTP-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000409445176 277395031 /nfs/dbraw/zinc/39/50/31/277395031.db2.gz HTAOVYYIVQVVTP-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000409445176 277395032 /nfs/dbraw/zinc/39/50/32/277395032.db2.gz HTAOVYYIVQVVTP-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000409445176 277395033 /nfs/dbraw/zinc/39/50/33/277395033.db2.gz HTAOVYYIVQVVTP-HOTGVXAUSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H]1CCCC[C@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000394797451 288004254 /nfs/dbraw/zinc/00/42/54/288004254.db2.gz QNRYIDDMTRHIQY-HOCLYGCPSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](NCC1(C2CCC2)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000423165673 278255649 /nfs/dbraw/zinc/25/56/49/278255649.db2.gz QBEXUKFIDODGCW-ZFWWWQNUSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1CCCC[C@H]1C ZINC000423324202 278265621 /nfs/dbraw/zinc/26/56/21/278265621.db2.gz AVHOPQQAEGBOIU-FXUDXRNXSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)[C@H]1CC1(C)C ZINC000397756531 288029498 /nfs/dbraw/zinc/02/94/98/288029498.db2.gz QOBRTJSBDFHYDY-LSDHHAIUSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000364669219 278332121 /nfs/dbraw/zinc/33/21/21/278332121.db2.gz DSSWSKLTZZXSKM-AOCRQIFASA-N 1 3 294.483 3.332 20 0 CGADHO CC1(C)C[N@H+](C[C@@H]2CCCNC2)C[C@H]1c1ccccc1 ZINC000469984652 278334496 /nfs/dbraw/zinc/33/44/96/278334496.db2.gz UIQSCNFAHNBEJV-WBVHZDCISA-N 1 3 272.436 3.112 20 0 CGADHO CC1(C)C[N@@H+](C[C@@H]2CCCNC2)C[C@H]1c1ccccc1 ZINC000469984652 278334497 /nfs/dbraw/zinc/33/44/97/278334497.db2.gz UIQSCNFAHNBEJV-WBVHZDCISA-N 1 3 272.436 3.112 20 0 CGADHO C[C@@H](NCC1([NH3+])CCC1)C1(c2ccccc2)CCCC1 ZINC000423324560 278340406 /nfs/dbraw/zinc/34/04/06/278340406.db2.gz KMWLAPJEBQENJM-OAHLLOKOSA-N 1 3 272.436 3.358 20 0 CGADHO C[C@@H](NCC1(c2cccs2)CCCCC1)C1C[NH2+]C1 ZINC000422765722 278341294 /nfs/dbraw/zinc/34/12/94/278341294.db2.gz LAHWTFCURCAFTP-CYBMUJFWSA-N 1 3 278.465 3.148 20 0 CGADHO C[C@@H]([NH2+]CC1(c2cccs2)CCCCC1)C1CNC1 ZINC000422765722 278341295 /nfs/dbraw/zinc/34/12/95/278341295.db2.gz LAHWTFCURCAFTP-CYBMUJFWSA-N 1 3 278.465 3.148 20 0 CGADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1nc2c(s1)CCCC2 ZINC000423468414 278346261 /nfs/dbraw/zinc/34/62/61/278346261.db2.gz BXTLHMQDKWKGSK-CHWSQXEVSA-N 1 3 293.480 3.205 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccc(Cl)cc1 ZINC000422733243 278621738 /nfs/dbraw/zinc/62/17/38/278621738.db2.gz QQVCUHCCPWCGMQ-IUODEOHRSA-N 1 3 280.843 3.335 20 0 CGADHO CCC1(C)CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000414908078 278622184 /nfs/dbraw/zinc/62/21/84/278622184.db2.gz NVKYLIVXJIZLAW-GPANFISMSA-N 1 3 252.446 3.325 20 0 CGADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423210901 288079407 /nfs/dbraw/zinc/07/94/07/288079407.db2.gz GQXIVNCGGARBGQ-OIISXLGYSA-N 1 3 260.425 3.424 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)c1cccc(C)c1 ZINC000423210901 288079409 /nfs/dbraw/zinc/07/94/09/288079409.db2.gz GQXIVNCGGARBGQ-OIISXLGYSA-N 1 3 260.425 3.424 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000338300272 279095985 /nfs/dbraw/zinc/09/59/85/279095985.db2.gz ZMUSECACNHYOBI-HZPDHXFCSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000338300272 279095986 /nfs/dbraw/zinc/09/59/86/279095986.db2.gz ZMUSECACNHYOBI-HZPDHXFCSA-N 1 3 252.446 3.230 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000338300272 279095987 /nfs/dbraw/zinc/09/59/87/279095987.db2.gz ZMUSECACNHYOBI-HZPDHXFCSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000338300268 279096076 /nfs/dbraw/zinc/09/60/76/279096076.db2.gz ZMUSECACNHYOBI-CVEARBPZSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000338300268 279096078 /nfs/dbraw/zinc/09/60/78/279096078.db2.gz ZMUSECACNHYOBI-CVEARBPZSA-N 1 3 252.446 3.230 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000338300268 279096080 /nfs/dbraw/zinc/09/60/80/279096080.db2.gz ZMUSECACNHYOBI-CVEARBPZSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423298641 279289925 /nfs/dbraw/zinc/28/99/25/279289925.db2.gz ALYBKPKYQPRFKA-INWMFGNUSA-N 1 3 280.843 3.236 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000520618936 288135187 /nfs/dbraw/zinc/13/51/87/288135187.db2.gz CAOOHPRHGHETQM-ZXYDQQDNSA-N 1 3 284.447 3.364 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000520618936 288135190 /nfs/dbraw/zinc/13/51/90/288135190.db2.gz CAOOHPRHGHETQM-ZXYDQQDNSA-N 1 3 284.447 3.364 20 0 CGADHO CC[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247032719 280186576 /nfs/dbraw/zinc/18/65/76/280186576.db2.gz MGNKKCIKHZXIHO-NVXWUHKLSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247032719 280186577 /nfs/dbraw/zinc/18/65/77/280186577.db2.gz MGNKKCIKHZXIHO-NVXWUHKLSA-N 1 3 292.471 3.115 20 0 CGADHO CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)Nc1ccccc1 ZINC000422983397 280254444 /nfs/dbraw/zinc/25/44/44/280254444.db2.gz ZHBCKAIMCUWZQM-JQHSSLGASA-N 1 3 289.467 3.230 20 0 CGADHO CC(C)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])Nc1ccccc1 ZINC000422983397 280254447 /nfs/dbraw/zinc/25/44/47/280254447.db2.gz ZHBCKAIMCUWZQM-JQHSSLGASA-N 1 3 289.467 3.230 20 0 CGADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000449433754 280296000 /nfs/dbraw/zinc/29/60/00/280296000.db2.gz NRUSUZSMFHCKFF-KLHDSHLOSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H]1CC12CCCC2 ZINC000423075064 280493484 /nfs/dbraw/zinc/49/34/84/280493484.db2.gz NKLCJBDRGJEJFR-HHXXYDBFSA-N 1 3 298.430 3.165 20 0 CGADHO Cc1cc2c(cc1C)[C@@H](NCC[C@H](C)[NH3+])CCS2 ZINC000423227656 280676818 /nfs/dbraw/zinc/67/68/18/280676818.db2.gz WNMYXRDTSGMQCZ-JSGCOSHPSA-N 1 3 264.438 3.167 20 0 CGADHO CC[C@H](C)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000481032873 280712699 /nfs/dbraw/zinc/71/26/99/280712699.db2.gz IWQUTXUDNBLIPF-ULQDDVLXSA-N 1 3 296.499 3.244 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CN[C@@H]1CCC12CCCC2 ZINC000423381158 281001729 /nfs/dbraw/zinc/00/17/29/281001729.db2.gz HTJFEMVHCBSERU-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C[C@@H](C)N)CC3 ZINC000423043222 281036004 /nfs/dbraw/zinc/03/60/04/281036004.db2.gz NXOQFSWRUVRHML-MGPQQGTHSA-N 1 3 285.435 3.049 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@H](C)C2 ZINC000425941274 281118193 /nfs/dbraw/zinc/11/81/93/281118193.db2.gz BVBAHVNWSJOWKP-CKEIUWERSA-N 1 3 260.425 3.016 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH+](C)C)[C@H](C)C2 ZINC000425941274 281118195 /nfs/dbraw/zinc/11/81/95/281118195.db2.gz BVBAHVNWSJOWKP-CKEIUWERSA-N 1 3 260.425 3.016 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@@H](C)c1ccccc1 ZINC000530179788 288296467 /nfs/dbraw/zinc/29/64/67/288296467.db2.gz XHUKNBVQFVSCLB-YCPHGPKFSA-N 1 3 258.409 3.053 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2c1 ZINC000302702473 281168986 /nfs/dbraw/zinc/16/89/86/281168986.db2.gz BMQRXFXAWLQHGG-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2c1 ZINC000302702473 281168991 /nfs/dbraw/zinc/16/89/91/281168991.db2.gz BMQRXFXAWLQHGG-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO CC[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000532202554 288355194 /nfs/dbraw/zinc/35/51/94/288355194.db2.gz ADFXIBSGKOSBDE-SOLBZPMBSA-N 1 3 296.499 3.149 20 0 CGADHO CC(CN1C[C@H](C)C[C@@H]1C)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000533432394 288381160 /nfs/dbraw/zinc/38/11/60/288381160.db2.gz ZKGBWZMRRKFEMM-VDERGJSUSA-N 1 3 252.446 3.083 20 0 CGADHO CC(CN1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432394 288381162 /nfs/dbraw/zinc/38/11/62/288381162.db2.gz ZKGBWZMRRKFEMM-VDERGJSUSA-N 1 3 252.446 3.083 20 0 CGADHO CCc1ccc([C@H](NC[C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000420369415 288563480 /nfs/dbraw/zinc/56/34/80/288563480.db2.gz IXWPKLWRESFRLY-NVXWUHKLSA-N 1 3 260.425 3.145 20 0 CGADHO CCN(CC)CCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000549139238 289035852 /nfs/dbraw/zinc/03/58/52/289035852.db2.gz URYZRUGNXVNYKM-INIZCTEOSA-N 1 3 262.441 3.454 20 0 CGADHO CCN(CC)CCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000549139238 289035853 /nfs/dbraw/zinc/03/58/53/289035853.db2.gz URYZRUGNXVNYKM-INIZCTEOSA-N 1 3 262.441 3.454 20 0 CGADHO CC(C)C[C@@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000552281254 289178543 /nfs/dbraw/zinc/17/85/43/289178543.db2.gz NWQZOQJOBAOPSK-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000552281254 289178544 /nfs/dbraw/zinc/17/85/44/289178544.db2.gz NWQZOQJOBAOPSK-HZPDHXFCSA-N 1 3 252.446 3.229 20 0 CGADHO CCc1nc2ccccc2c(NC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000554475780 289284371 /nfs/dbraw/zinc/28/43/71/289284371.db2.gz KBFCSSCRTGMZGU-HNNXBMFYSA-N 1 3 297.446 3.281 20 0 CGADHO CCc1nc2ccccc2c(NC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000554475780 289284372 /nfs/dbraw/zinc/28/43/72/289284372.db2.gz KBFCSSCRTGMZGU-HNNXBMFYSA-N 1 3 297.446 3.281 20 0 CGADHO CCc1nc2ccccc2c(NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000554475783 289284387 /nfs/dbraw/zinc/28/43/87/289284387.db2.gz KBFCSSCRTGMZGU-OAHLLOKOSA-N 1 3 297.446 3.281 20 0 CGADHO CCc1nc2ccccc2c(NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000554475783 289284388 /nfs/dbraw/zinc/28/43/88/289284388.db2.gz KBFCSSCRTGMZGU-OAHLLOKOSA-N 1 3 297.446 3.281 20 0 CGADHO CCCC[C@@H]([NH2+]CCCN1CCCC1)C1CCC1 ZINC000557520882 289443966 /nfs/dbraw/zinc/44/39/66/289443966.db2.gz NLEAMEIQIZXFSK-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCC(F)(F)C1 ZINC000422994145 289728095 /nfs/dbraw/zinc/72/80/95/289728095.db2.gz UQQMSVWKEOUDTD-HZSPNIEDSA-N 1 3 274.399 3.465 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)CC3 ZINC000562746414 289731906 /nfs/dbraw/zinc/73/19/06/289731906.db2.gz IRMLOKVHNGHDBE-CKEIUWERSA-N 1 3 297.446 3.051 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccccn1 ZINC000158655019 289950569 /nfs/dbraw/zinc/95/05/69/289950569.db2.gz NLFHQZOYDINTNX-INIZCTEOSA-N 1 3 275.440 3.244 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCC(F)(F)CC1 ZINC000423372814 290049607 /nfs/dbraw/zinc/04/96/07/290049607.db2.gz HFFKKZCIZFLOFX-DRZSPHRISA-N 1 3 260.372 3.060 20 0 CGADHO [NH3+]C1CCC(N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000423026561 295212676 /nfs/dbraw/zinc/21/26/76/295212676.db2.gz QGLDSLJFXZERRS-HTWSVDAQSA-N 1 3 299.393 3.170 20 0 CGADHO COc1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C(C)C ZINC000423370888 295366071 /nfs/dbraw/zinc/36/60/71/295366071.db2.gz FYSXPGUYOIIUCB-BBWFWOEESA-N 1 3 290.451 3.122 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000423302318 298530337 /nfs/dbraw/zinc/53/03/37/298530337.db2.gz VLOSQABUNWUNIK-CRAIPNDOSA-N 1 3 274.452 3.362 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000414825075 298960142 /nfs/dbraw/zinc/96/01/42/298960142.db2.gz RWQGKYPVZUVBGJ-CWRNSKLLSA-N 1 3 252.446 3.452 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CC1 ZINC000423385928 302102883 /nfs/dbraw/zinc/10/28/83/302102883.db2.gz RKVCILPKBKSMIB-WBAXXEDZSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1ccccc1[C@H](NCC1C[NH2+]C1)C1CCCC1 ZINC000423326774 302197948 /nfs/dbraw/zinc/19/79/48/302197948.db2.gz RCSQWXCTVKKZSQ-QGZVFWFLSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccccc1[C@H]([NH2+]CC1CNC1)C1CCCC1 ZINC000423326774 302197951 /nfs/dbraw/zinc/19/79/51/302197951.db2.gz RCSQWXCTVKKZSQ-QGZVFWFLSA-N 1 3 258.409 3.035 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423015895 302302359 /nfs/dbraw/zinc/30/23/59/302302359.db2.gz LSDCKJPNZMTSAG-ARFHVFGLSA-N 1 3 292.492 3.499 20 0 CGADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000423015895 302302363 /nfs/dbraw/zinc/30/23/63/302302363.db2.gz LSDCKJPNZMTSAG-ARFHVFGLSA-N 1 3 292.492 3.499 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000422734783 302588246 /nfs/dbraw/zinc/58/82/46/302588246.db2.gz UAQKQJJKEQBVEN-NWDGAFQWSA-N 1 3 261.413 3.078 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000582514934 329099763 /nfs/dbraw/zinc/09/97/63/329099763.db2.gz ZJUHUNWIQLMHEK-CZUORRHYSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000582514934 329099765 /nfs/dbraw/zinc/09/97/65/329099765.db2.gz ZJUHUNWIQLMHEK-CZUORRHYSA-N 1 3 280.843 3.420 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3cccc(F)c3[C@H]2C)CC[NH2+]1 ZINC000563796195 322010348 /nfs/dbraw/zinc/01/03/48/322010348.db2.gz UQFKTKWZUBQLFI-MCIONIFRSA-N 1 3 276.399 3.133 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000565227069 322068318 /nfs/dbraw/zinc/06/83/18/322068318.db2.gz QTVITKUZQJBJDF-HZPDHXFCSA-N 1 3 258.409 3.011 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NC2(Cc3ccccc3)CCC2)C1 ZINC000565227069 322068320 /nfs/dbraw/zinc/06/83/20/322068320.db2.gz QTVITKUZQJBJDF-HZPDHXFCSA-N 1 3 258.409 3.011 20 0 CGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccoc1 ZINC000566092555 322103939 /nfs/dbraw/zinc/10/39/39/322103939.db2.gz SQUNITQZKIZRLQ-CZUORRHYSA-N 1 3 258.365 3.410 20 0 CGADHO COc1cc(C)ccc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000566967619 322144832 /nfs/dbraw/zinc/14/48/32/322144832.db2.gz SDUWNYCKSVWITO-LZWOXQAQSA-N 1 3 276.424 3.172 20 0 CGADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000567462602 322164090 /nfs/dbraw/zinc/16/40/90/322164090.db2.gz UHDGATIZFNEBND-DLBZAZTESA-N 1 3 260.425 3.220 20 0 CGADHO CC[NH2+]CCCN[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000567462602 322164092 /nfs/dbraw/zinc/16/40/92/322164092.db2.gz UHDGATIZFNEBND-DLBZAZTESA-N 1 3 260.425 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000567868185 322180750 /nfs/dbraw/zinc/18/07/50/322180750.db2.gz VVSGEMHFNWTVBZ-BQJWPVKWSA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000568531333 322213123 /nfs/dbraw/zinc/21/31/23/322213123.db2.gz ARUZTKYPUOYXNU-SSHXOBKSSA-N 1 3 252.446 3.308 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000568531331 322213295 /nfs/dbraw/zinc/21/32/95/322213295.db2.gz ARUZTKYPUOYXNU-FJBKBRRZSA-N 1 3 252.446 3.308 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000569378435 322245872 /nfs/dbraw/zinc/24/58/72/322245872.db2.gz RCZIVGPZXACLPR-HZPDHXFCSA-N 1 3 276.424 3.014 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCC(F)(F)C2)C1 ZINC000569745336 322256066 /nfs/dbraw/zinc/25/60/66/322256066.db2.gz UORNBZLHSLVOMJ-UPJWGTAASA-N 1 3 260.372 3.062 20 0 CGADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271900 322269361 /nfs/dbraw/zinc/26/93/61/322269361.db2.gz NHGUZYJSWMDXQM-SCLBCKFNSA-N 1 3 281.403 3.137 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502638 322275037 /nfs/dbraw/zinc/27/50/37/322275037.db2.gz HOGSHRXCCKSWIN-HOTGVXAUSA-N 1 3 250.430 3.149 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000570502638 322275038 /nfs/dbraw/zinc/27/50/38/322275038.db2.gz HOGSHRXCCKSWIN-HOTGVXAUSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@H]2C=CCCCCC2)C1 ZINC000570502638 322275040 /nfs/dbraw/zinc/27/50/40/322275040.db2.gz HOGSHRXCCKSWIN-HOTGVXAUSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@H]2C=CCCCCC2)C1 ZINC000570502638 322275042 /nfs/dbraw/zinc/27/50/42/322275042.db2.gz HOGSHRXCCKSWIN-HOTGVXAUSA-N 1 3 250.430 3.149 20 0 CGADHO CN1CC=C(C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000570736168 322281156 /nfs/dbraw/zinc/28/11/56/322281156.db2.gz JGTPFVZNFAQWTD-UHFFFAOYSA-N 1 3 286.463 3.378 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000571061608 322289058 /nfs/dbraw/zinc/28/90/58/322289058.db2.gz ZVDWGIWHZXGOPP-MSOLQXFVSA-N 1 3 298.430 3.468 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCCOc2ccc3ccccc3c2)C1 ZINC000571061608 322289060 /nfs/dbraw/zinc/28/90/60/322289060.db2.gz ZVDWGIWHZXGOPP-MSOLQXFVSA-N 1 3 298.430 3.468 20 0 CGADHO COCC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CCCCC1 ZINC000571273361 322294406 /nfs/dbraw/zinc/29/44/06/322294406.db2.gz IYQIDWJPSVLCEM-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000571275538 322294594 /nfs/dbraw/zinc/29/45/94/322294594.db2.gz GYQKXHVVZUUGLB-XIKOKIGWSA-N 1 3 299.393 3.481 20 0 CGADHO C[C@H](c1cccc(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000572644063 322348064 /nfs/dbraw/zinc/34/80/64/322348064.db2.gz FVQZJTNWNRKWCA-CJNGLKHVSA-N 1 3 276.399 3.208 20 0 CGADHO Cc1c(Br)cccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573221024 322377017 /nfs/dbraw/zinc/37/70/17/322377017.db2.gz XCNWGJPSQWOYKV-CHWSQXEVSA-N 1 3 297.240 3.117 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000574771122 322456874 /nfs/dbraw/zinc/45/68/74/322456874.db2.gz RTSBGHJRXVHPCG-INIZCTEOSA-N 1 3 258.409 3.171 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000578313986 327314581 /nfs/dbraw/zinc/31/45/81/327314581.db2.gz LWOSATNMXSMTQJ-IRXDYDNUSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000578313986 327314583 /nfs/dbraw/zinc/31/45/83/327314583.db2.gz LWOSATNMXSMTQJ-IRXDYDNUSA-N 1 3 260.425 3.300 20 0 CGADHO C[C@@H](CCN[C@H]1C[C@@H](C)O[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000379620110 330143099 /nfs/dbraw/zinc/14/30/99/330143099.db2.gz CPZVKTVLFQGBNF-DFGXFYAUSA-N 1 3 290.451 3.053 20 0 CGADHO C[C@@H](CCN[C@H]1C[C@@H](C)O[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000379620110 330143101 /nfs/dbraw/zinc/14/31/01/330143101.db2.gz CPZVKTVLFQGBNF-DFGXFYAUSA-N 1 3 290.451 3.053 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000576703601 335237178 /nfs/dbraw/zinc/23/71/78/335237178.db2.gz XYHDUVIESBZLEF-WBVHZDCISA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)[C@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000576703601 335237179 /nfs/dbraw/zinc/23/71/79/335237179.db2.gz XYHDUVIESBZLEF-WBVHZDCISA-N 1 3 260.425 3.097 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000577123952 335304804 /nfs/dbraw/zinc/30/48/04/335304804.db2.gz ALOWSNYYKQVDJS-RNJOBUHISA-N 1 3 278.362 3.357 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000581125263 336011371 /nfs/dbraw/zinc/01/13/71/336011371.db2.gz BWQNTBNKNIWCCG-ULFGMLNVSA-N 1 3 299.393 3.195 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCC[C@H](CN)C2)C1 ZINC000581191196 336021950 /nfs/dbraw/zinc/02/19/50/336021950.db2.gz PKFBNWCJPWLCFI-NXHRZFHOSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@H](CN)C2)C1 ZINC000581191196 336021952 /nfs/dbraw/zinc/02/19/52/336021952.db2.gz PKFBNWCJPWLCFI-NXHRZFHOSA-N 1 3 272.436 3.168 20 0 CGADHO Cc1ccsc1CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000383615878 336115526 /nfs/dbraw/zinc/11/55/26/336115526.db2.gz GTAOMBJCUYOXQS-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000581694258 336128957 /nfs/dbraw/zinc/12/89/57/336128957.db2.gz KCUAIGXVRRCBNW-IBGZPJMESA-N 1 3 286.463 3.413 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000581694258 336128959 /nfs/dbraw/zinc/12/89/59/336128959.db2.gz KCUAIGXVRRCBNW-IBGZPJMESA-N 1 3 286.463 3.413 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000037643904 521711030 /nfs/dbraw/zinc/71/10/30/521711030.db2.gz XCLDRHAMHUKFBP-STQMWFEESA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H](CN(C)C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449322825 533735959 /nfs/dbraw/zinc/73/59/59/533735959.db2.gz ZCCURLDADWJZNU-HNNXBMFYSA-N 1 3 297.531 3.205 20 0 CGADHO COc1cc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc2ccccc21 ZINC000449034962 533818772 /nfs/dbraw/zinc/81/87/72/533818772.db2.gz LQWLLEHCEFLHKM-HNNXBMFYSA-N 1 3 298.430 3.232 20 0 CGADHO COc1cc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc2ccccc21 ZINC000449034962 533818776 /nfs/dbraw/zinc/81/87/76/533818776.db2.gz LQWLLEHCEFLHKM-HNNXBMFYSA-N 1 3 298.430 3.232 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000423400466 534000804 /nfs/dbraw/zinc/00/08/04/534000804.db2.gz VMHMAUUXIZOOAF-DLOVCJGASA-N 1 3 270.779 3.400 20 0 CGADHO C[C@H](CCc1ccsc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423406852 534003651 /nfs/dbraw/zinc/00/36/51/534003651.db2.gz ZGLXDIADTRKDFL-CYBMUJFWSA-N 1 3 286.444 3.462 20 0 CGADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000037643973 520414598 /nfs/dbraw/zinc/41/45/98/520414598.db2.gz WCBKFVHBUJBOFI-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO c1cncc([C@H]2CCC[C@H]([NH2+]CCCN3CCCC3)C2)c1 ZINC000367042912 534510888 /nfs/dbraw/zinc/51/08/88/534510888.db2.gz LNHWJSNPQWQSFB-WMZOPIPTSA-N 1 3 287.451 3.183 20 0 CGADHO CCC[C@H]([NH2+]CCCN1CCCCC1)c1cccnc1 ZINC000184899399 521157257 /nfs/dbraw/zinc/15/72/57/521157257.db2.gz QZFGHQIIOIRGEE-KRWDZBQOSA-N 1 3 275.440 3.388 20 0 CGADHO [NH3+]C1CCC(N[C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000423230771 534560967 /nfs/dbraw/zinc/56/09/67/534560967.db2.gz JZCHOJPJKWWDJA-LEOMRAHMSA-N 1 3 299.393 3.170 20 0 CGADHO Cc1cccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000449319013 534690361 /nfs/dbraw/zinc/69/03/61/534690361.db2.gz FKJKXTURGZOHHM-JWTNVVGKSA-N 1 3 272.436 3.095 20 0 CGADHO Cc1cccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000449319013 534690366 /nfs/dbraw/zinc/69/03/66/534690366.db2.gz FKJKXTURGZOHHM-JWTNVVGKSA-N 1 3 272.436 3.095 20 0 CGADHO CC[C@H](C)C[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000088296557 523902425 /nfs/dbraw/zinc/90/24/25/523902425.db2.gz GORRIDJPTSVODQ-GJZGRUSLSA-N 1 3 275.440 3.465 20 0 CGADHO Cc1ncc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000423511958 534750162 /nfs/dbraw/zinc/75/01/62/534750162.db2.gz UEWWTDFRZWKGFU-KDOFPFPSSA-N 1 3 298.434 3.224 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000163448348 524177273 /nfs/dbraw/zinc/17/72/73/524177273.db2.gz TYUNRBKWPGKCIE-INMHGKMJSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000163448348 524177278 /nfs/dbraw/zinc/17/72/78/524177278.db2.gz TYUNRBKWPGKCIE-INMHGKMJSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@H](CCN1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000163448348 524177297 /nfs/dbraw/zinc/17/72/97/524177297.db2.gz TYUNRBKWPGKCIE-INMHGKMJSA-N 1 3 260.425 3.097 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000089214816 525426219 /nfs/dbraw/zinc/42/62/19/525426219.db2.gz KXCAXQDFASTYQY-CQSZACIVSA-N 1 3 273.424 3.076 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000155871758 525945800 /nfs/dbraw/zinc/94/58/00/525945800.db2.gz VXDVRDQVVSTMGD-WXHSDQCUSA-N 1 3 252.427 3.190 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000155871758 525945812 /nfs/dbraw/zinc/94/58/12/525945812.db2.gz VXDVRDQVVSTMGD-WXHSDQCUSA-N 1 3 252.427 3.190 20 0 CGADHO Cc1cncc([C@@H](C)[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000184396699 526210097 /nfs/dbraw/zinc/21/00/97/526210097.db2.gz MSQVBQNWNNOISH-CQSZACIVSA-N 1 3 275.440 3.304 20 0 CGADHO Fc1ccc(CNCCCCC[NH+]2CCCC2)cc1F ZINC000293062862 526337828 /nfs/dbraw/zinc/33/78/28/526337828.db2.gz SJAYPBSTXKWYJH-UHFFFAOYSA-N 1 3 282.378 3.321 20 0 CGADHO C([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCSC1 ZINC000365973345 527488414 /nfs/dbraw/zinc/48/84/14/527488414.db2.gz VRNAZWOFGHXKCV-MRXNPFEDSA-N 1 3 296.524 3.374 20 0 CGADHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423340530 527871833 /nfs/dbraw/zinc/87/18/33/527871833.db2.gz XIUORQNQJIOECI-HZPDHXFCSA-N 1 3 258.409 3.342 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000423265350 528164657 /nfs/dbraw/zinc/16/46/57/528164657.db2.gz CVOZRFUJOCJDBE-YOEHRIQHSA-N 1 3 278.440 3.355 20 0 CGADHO CCC[NH+]1CCC(CNCc2cc3cccnc3o2)CC1 ZINC000449132957 528188271 /nfs/dbraw/zinc/18/82/71/528188271.db2.gz WMVKHLUIPVLKFN-UHFFFAOYSA-N 1 3 287.407 3.039 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H](N)C(C)C)c1cccs1 ZINC000423282752 528360333 /nfs/dbraw/zinc/36/03/33/528360333.db2.gz WFBAQAQZSWMSGC-CHWSQXEVSA-N 1 3 254.443 3.408 20 0 CGADHO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000423375319 528423415 /nfs/dbraw/zinc/42/34/15/528423415.db2.gz INXADCPPDRRAQO-OIISXLGYSA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423261519 528533829 /nfs/dbraw/zinc/53/38/29/528533829.db2.gz JZMLHQCKRFSASI-GWCFXTLKSA-N 1 3 274.330 3.339 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423259687 528534711 /nfs/dbraw/zinc/53/47/11/528534711.db2.gz FNTXMTVTFPIGTQ-MFKMUULPSA-N 1 3 285.229 3.083 20 0 CGADHO CCCCOc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423343441 528689000 /nfs/dbraw/zinc/68/90/00/528689000.db2.gz DMBFLQMOYRFXGB-OAHLLOKOSA-N 1 3 288.435 3.436 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1OC ZINC000423433325 528690604 /nfs/dbraw/zinc/69/06/04/528690604.db2.gz CCGWWVURXZYHTL-IHRRRGAJSA-N 1 3 294.439 3.260 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423463173 528691482 /nfs/dbraw/zinc/69/14/82/528691482.db2.gz LFMJNALBLHKJCL-MJBXVCDLSA-N 1 3 264.413 3.252 20 0 CGADHO CCCCOc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423315254 528691519 /nfs/dbraw/zinc/69/15/19/528691519.db2.gz ZJDMCSXJJQYQHT-KGLIPLIRSA-N 1 3 264.413 3.111 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000359646058 528818409 /nfs/dbraw/zinc/81/84/09/528818409.db2.gz TXLTUFATTNRLCA-PBHICJAKSA-N 1 3 260.425 3.240 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000449100780 528835555 /nfs/dbraw/zinc/83/55/55/528835555.db2.gz SLUPPJMVTVEUTB-RKVPGOIHSA-N 1 3 290.451 3.182 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000449100780 528835561 /nfs/dbraw/zinc/83/55/61/528835561.db2.gz SLUPPJMVTVEUTB-RKVPGOIHSA-N 1 3 290.451 3.182 20 0 CGADHO CC[NH+]1CCC(CCNCc2cc3cccnc3o2)CC1 ZINC000449166850 528968930 /nfs/dbraw/zinc/96/89/30/528968930.db2.gz GNRHHZQJCYCBBQ-UHFFFAOYSA-N 1 3 287.407 3.039 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423406808 529028625 /nfs/dbraw/zinc/02/86/25/529028625.db2.gz VBVQXCUSAXCPRA-XIRDDKMYSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423406808 529028630 /nfs/dbraw/zinc/02/86/30/529028630.db2.gz VBVQXCUSAXCPRA-XIRDDKMYSA-N 1 3 292.492 3.391 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC(C)(C)C1)CN1CCCC1 ZINC000477909701 535153361 /nfs/dbraw/zinc/15/33/61/535153361.db2.gz FFVQPQFUXNABLL-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CC[C@@H](CN1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000470020528 535745304 /nfs/dbraw/zinc/74/53/04/535745304.db2.gz JDTNUZQAVKUYPG-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000450828635 536089463 /nfs/dbraw/zinc/08/94/63/536089463.db2.gz NMFJFUXLRADMNB-MQVJKMGUSA-N 1 3 295.430 3.256 20 0 CGADHO CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1 ZINC000450828635 536089466 /nfs/dbraw/zinc/08/94/66/536089466.db2.gz NMFJFUXLRADMNB-MQVJKMGUSA-N 1 3 295.430 3.256 20 0 CGADHO CC(C)SCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261550284 618082560 /nfs/dbraw/zinc/08/25/60/618082560.db2.gz LEBKQDMYVDALMH-KBPBESRZSA-N 1 3 258.475 3.028 20 0 CGADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000891746598 618273724 /nfs/dbraw/zinc/27/37/24/618273724.db2.gz WUIRCAKKVSMQHR-UHFFFAOYSA-N 1 3 294.414 3.084 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000891746598 618273739 /nfs/dbraw/zinc/27/37/39/618273739.db2.gz WUIRCAKKVSMQHR-UHFFFAOYSA-N 1 3 294.414 3.084 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000926431617 618670622 /nfs/dbraw/zinc/67/06/22/618670622.db2.gz PFLODDKGTIWTIK-OAHLLOKOSA-N 1 3 284.513 3.230 20 0 CGADHO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559963 618832910 /nfs/dbraw/zinc/83/29/10/618832910.db2.gz NRKGLXMKIPUWMD-PBHICJAKSA-N 1 3 290.451 3.049 20 0 CGADHO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924559963 618832912 /nfs/dbraw/zinc/83/29/12/618832912.db2.gz NRKGLXMKIPUWMD-PBHICJAKSA-N 1 3 290.451 3.049 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2cccc(F)c2F)C1 ZINC000925598732 619080278 /nfs/dbraw/zinc/08/02/78/619080278.db2.gz UEYXDCWXGGFUOD-STQMWFEESA-N 1 3 282.378 3.003 20 0 CGADHO C(COC1CCCCC1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925599576 619080719 /nfs/dbraw/zinc/08/07/19/619080719.db2.gz BXOAUZZXTHAABQ-ZWKOTPCHSA-N 1 3 294.483 3.094 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925735516 619209139 /nfs/dbraw/zinc/20/91/39/619209139.db2.gz VFJPJGXGDVLOMR-XQQFMLRXSA-N 1 3 288.357 3.005 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCCNc3ccccc32)CC1 ZINC000925757438 619221074 /nfs/dbraw/zinc/22/10/74/619221074.db2.gz HAIGRAPBSULKAZ-MRXNPFEDSA-N 1 3 273.424 3.137 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000925780065 619242799 /nfs/dbraw/zinc/24/27/99/619242799.db2.gz RKKOYYSWAPFAGP-OCCSQVGLSA-N 1 3 286.341 3.111 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCS1 ZINC000925861386 619298801 /nfs/dbraw/zinc/29/88/01/619298801.db2.gz OZYCXJWAYKNFRN-YIKOMLBNSA-N 1 3 262.422 3.005 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C[C@H]2CCc3ccccc32)CC1 ZINC000893860280 619323684 /nfs/dbraw/zinc/32/36/84/619323684.db2.gz ZKNUDSVJQDQVIZ-QGZVFWFLSA-N 1 3 284.447 3.277 20 0 CGADHO CN1CCC2(CCC[N@H+]2C[C@H]2CCc3ccccc32)CC1 ZINC000893860280 619323686 /nfs/dbraw/zinc/32/36/86/619323686.db2.gz ZKNUDSVJQDQVIZ-QGZVFWFLSA-N 1 3 284.447 3.277 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)c1 ZINC000163259057 620205225 /nfs/dbraw/zinc/20/52/25/620205225.db2.gz VLWRLWBPMQTPDB-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@H]2CCC(C)(C)CO2)CC1 ZINC000897476253 620344801 /nfs/dbraw/zinc/34/48/01/620344801.db2.gz NXSNOARNRVFPLR-MRXNPFEDSA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H](CC(F)(F)F)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373164 621279659 /nfs/dbraw/zinc/27/96/59/621279659.db2.gz AUTWPZFPMCWPDG-MNOVXSKESA-N 1 3 266.351 3.085 20 0 CGADHO C1CCC([C@@H]2CNCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902442246 621320578 /nfs/dbraw/zinc/32/05/78/621320578.db2.gz AORRKLVFLGTEDX-LDBYLJPUSA-N 1 3 294.508 3.171 20 0 CGADHO CC[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1 ZINC000902443757 621321783 /nfs/dbraw/zinc/32/17/83/621321783.db2.gz MAQNTLBZPHMHAM-RCCFBDPRSA-N 1 3 266.388 3.352 20 0 CGADHO Cc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)cc1 ZINC000902471791 621342114 /nfs/dbraw/zinc/34/21/14/621342114.db2.gz SOAJTFSLHTWSNZ-YYWYGQEZSA-N 1 3 270.420 3.114 20 0 CGADHO C(NC1CCC(OC2CCCC2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000902484248 621353873 /nfs/dbraw/zinc/35/38/73/621353873.db2.gz VBZATYXKPDHCRY-UPTPFMHGSA-N 1 3 294.483 3.379 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCOCC1 ZINC000903069817 621568258 /nfs/dbraw/zinc/56/82/58/621568258.db2.gz JWSUFIYQVDIABX-FUHWJXTLSA-N 1 3 296.499 3.149 20 0 CGADHO c1ccc(C[C@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903122373 621589593 /nfs/dbraw/zinc/58/95/93/621589593.db2.gz YSJDGDMKPFJCKO-MWDBYQCVSA-N 1 3 296.458 3.365 20 0 CGADHO c1ccc(C[C@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122373 621589599 /nfs/dbraw/zinc/58/95/99/621589599.db2.gz YSJDGDMKPFJCKO-MWDBYQCVSA-N 1 3 296.458 3.365 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000903161009 621605965 /nfs/dbraw/zinc/60/59/65/621605965.db2.gz CWNHKTKWMKZJGK-ZBFHGGJFSA-N 1 3 264.457 3.275 20 0 CGADHO FC1(F)CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903178920 621614594 /nfs/dbraw/zinc/61/45/94/621614594.db2.gz JZWZIEQBRXGACU-IKKMQULASA-N 1 3 284.394 3.169 20 0 CGADHO FC1(F)CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178920 621614597 /nfs/dbraw/zinc/61/45/97/621614597.db2.gz JZWZIEQBRXGACU-IKKMQULASA-N 1 3 284.394 3.169 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903384371 621724589 /nfs/dbraw/zinc/72/45/89/621724589.db2.gz RBORMTILHWSAGL-HYVNUMGLSA-N 1 3 275.440 3.243 20 0 CGADHO Cc1ccc(F)c(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1F ZINC000903459390 621752676 /nfs/dbraw/zinc/75/26/76/621752676.db2.gz IEXCJJCELINCJK-CYBMUJFWSA-N 1 3 294.389 3.237 20 0 CGADHO c1csc([C@@H]2CCCN2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903718659 621796414 /nfs/dbraw/zinc/79/64/14/621796414.db2.gz QLNYECWKWLXNLF-KBPBESRZSA-N 1 3 264.438 3.275 20 0 CGADHO FCc1ccccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903752010 621800383 /nfs/dbraw/zinc/80/03/83/621800383.db2.gz OEOYUPIXLBHSGV-WBVHZDCISA-N 1 3 276.399 3.120 20 0 CGADHO CC(C)([NH3+])CCNCc1cc(Cl)cc2cccnc21 ZINC000903938821 621836404 /nfs/dbraw/zinc/83/64/04/621836404.db2.gz MAOWIAZFBOZMNI-UHFFFAOYSA-N 1 3 277.799 3.105 20 0 CGADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495383 626157464 /nfs/dbraw/zinc/15/74/64/626157464.db2.gz BNRBTSWKRYXKNG-MDZLAQPJSA-N 1 3 284.806 3.457 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H](C)C[NH+]1CCCC1 ZINC000765119266 627241137 /nfs/dbraw/zinc/24/11/37/627241137.db2.gz MRKOYHSBLNPHOB-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO C[N@H+](CCCNC1CC(C(F)F)C1)C1CCCCC1 ZINC000768666190 627492079 /nfs/dbraw/zinc/49/20/79/627492079.db2.gz BFLDQOJGRASWHH-UHFFFAOYSA-N 1 3 274.399 3.274 20 0 CGADHO C[N@@H+](CCCNC1CC(C(F)F)C1)C1CCCCC1 ZINC000768666190 627492080 /nfs/dbraw/zinc/49/20/80/627492080.db2.gz BFLDQOJGRASWHH-UHFFFAOYSA-N 1 3 274.399 3.274 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292935 628479419 /nfs/dbraw/zinc/47/94/19/628479419.db2.gz OJFWNXMSOVUHGD-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C1 ZINC000780292935 628479424 /nfs/dbraw/zinc/47/94/24/628479424.db2.gz OJFWNXMSOVUHGD-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292935 628479426 /nfs/dbraw/zinc/47/94/26/628479426.db2.gz OJFWNXMSOVUHGD-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780292935 628479430 /nfs/dbraw/zinc/47/94/30/628479430.db2.gz OJFWNXMSOVUHGD-WMZOPIPTSA-N 1 3 286.463 3.380 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCC=CO3)CC2)C1 ZINC000783307466 628701889 /nfs/dbraw/zinc/70/18/89/628701889.db2.gz IZISCNIZNQVJNY-KBAYOESNSA-N 1 3 292.467 3.312 20 0 CGADHO NCCC[N@H+](CC[C@H]1CC1(Cl)Cl)CC1CCCC1 ZINC000843384969 635656811 /nfs/dbraw/zinc/65/68/11/635656811.db2.gz MJPHTZOPILQSLH-ZDUSSCGKSA-N 1 3 293.282 3.411 20 0 CGADHO NCCC[N@@H+](CC[C@H]1CC1(Cl)Cl)CC1CCCC1 ZINC000843384969 635656821 /nfs/dbraw/zinc/65/68/21/635656821.db2.gz MJPHTZOPILQSLH-ZDUSSCGKSA-N 1 3 293.282 3.411 20 0 CGADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(SC(F)F)cc1 ZINC000817963660 632259099 /nfs/dbraw/zinc/25/90/99/632259099.db2.gz WWNHRSGGBHIRMQ-VHSXEESVSA-N 1 3 274.380 3.247 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866259352 633047950 /nfs/dbraw/zinc/04/79/50/633047950.db2.gz APESSIQYLJRXQD-SJLPKXTDSA-N 1 3 289.467 3.113 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)[C@H](C)O1 ZINC000823748193 633149177 /nfs/dbraw/zinc/14/91/77/633149177.db2.gz UFSJMHYRIDKYNT-RVKKMQEKSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)[C@H](C)O1 ZINC000823748193 633149178 /nfs/dbraw/zinc/14/91/78/633149178.db2.gz UFSJMHYRIDKYNT-RVKKMQEKSA-N 1 3 294.483 3.187 20 0 CGADHO CCC[C@H](CNC1CC[NH+](CC2CCCCC2)CC1)OC ZINC000824543199 633256670 /nfs/dbraw/zinc/25/66/70/633256670.db2.gz GNQVQWXNKNFKKO-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000872144644 634064464 /nfs/dbraw/zinc/06/44/64/634064464.db2.gz CQJYNSFCFCPIKC-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872144644 634064467 /nfs/dbraw/zinc/06/44/67/634064467.db2.gz CQJYNSFCFCPIKC-LJQANCHMSA-N 1 3 297.446 3.432 20 0 CGADHO Cc1nocc1CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158301 634069105 /nfs/dbraw/zinc/06/91/05/634069105.db2.gz UUKRWRVIVCRFPB-WMLDXEAASA-N 1 3 291.439 3.103 20 0 CGADHO c1c(C[N@H+](C2CC2)C2CCCC2)sc2c1CNCC2 ZINC000873202684 634284980 /nfs/dbraw/zinc/28/49/80/634284980.db2.gz YFNBUMHVTLNDOG-UHFFFAOYSA-N 1 3 276.449 3.301 20 0 CGADHO c1c(C[N@@H+](C2CC2)C2CCCC2)sc2c1CNCC2 ZINC000873202684 634284987 /nfs/dbraw/zinc/28/49/87/634284987.db2.gz YFNBUMHVTLNDOG-UHFFFAOYSA-N 1 3 276.449 3.301 20 0 CGADHO COc1ccccc1[C@H]1CCC[N@H+](CC(C)(C)N)CC1 ZINC000873224689 634290510 /nfs/dbraw/zinc/29/05/10/634290510.db2.gz GDTKSRQWEOQJIM-AWEZNQCLSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccccc1[C@H]1CCC[N@@H+](CC(C)(C)N)CC1 ZINC000873224689 634290517 /nfs/dbraw/zinc/29/05/17/634290517.db2.gz GDTKSRQWEOQJIM-AWEZNQCLSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877739457 635172744 /nfs/dbraw/zinc/17/27/44/635172744.db2.gz GHAHFGZYLJYRQV-PBHICJAKSA-N 1 3 284.403 3.267 20 0 CGADHO Cc1oc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877739457 635172755 /nfs/dbraw/zinc/17/27/55/635172755.db2.gz GHAHFGZYLJYRQV-PBHICJAKSA-N 1 3 284.403 3.267 20 0 CGADHO CN1CC[C@@H]2C[N@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879573474 635813875 /nfs/dbraw/zinc/81/38/75/635813875.db2.gz OPHCYQFFTPKKQO-UXHICEINSA-N 1 3 294.442 3.408 20 0 CGADHO CN1CC[C@@H]2C[N@@H+](CCc3ccc4ccccc4c3)CC[C@@H]21 ZINC000879573474 635813878 /nfs/dbraw/zinc/81/38/78/635813878.db2.gz OPHCYQFFTPKKQO-UXHICEINSA-N 1 3 294.442 3.408 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439375 636756038 /nfs/dbraw/zinc/75/60/38/636756038.db2.gz PUYZQVCBMWVXSL-WBVHZDCISA-N 1 3 294.483 3.175 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439375 636756043 /nfs/dbraw/zinc/75/60/43/636756043.db2.gz PUYZQVCBMWVXSL-WBVHZDCISA-N 1 3 294.483 3.175 20 0 CGADHO [NH3+][C@H](C[C@H]1CCCN(Cc2ccns2)C1)C1CCCC1 ZINC000883440891 636758879 /nfs/dbraw/zinc/75/88/79/636758879.db2.gz BYVYMCXIMMLXBQ-CZUORRHYSA-N 1 3 293.480 3.263 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000886089691 637404340 /nfs/dbraw/zinc/40/43/40/637404340.db2.gz HJFDJRJSLPPODI-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)C1 ZINC000924704978 638392282 /nfs/dbraw/zinc/39/22/82/638392282.db2.gz JKRLEGXJXHVSFE-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCOC2CCCC2)CC1 ZINC000924864832 638418084 /nfs/dbraw/zinc/41/80/84/638418084.db2.gz CTXPNJPAJUOHBU-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]([NH3+])[C@H](NC1CCC2(CC2)CC1)c1ccccc1 ZINC000925652267 638558058 /nfs/dbraw/zinc/55/80/58/638558058.db2.gz PGBONXOSIATVMP-CJNGLKHVSA-N 1 3 258.409 3.387 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@H](c3ccc(F)cc3)C1)[NH2+]2 ZINC000925678810 638567091 /nfs/dbraw/zinc/56/70/91/638567091.db2.gz XHGZAMUEMATOBD-BLYMFVFMSA-N 1 3 288.410 3.190 20 0 CGADHO c1cc2c(cccc2CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[nH]1 ZINC000925731249 638586563 /nfs/dbraw/zinc/58/65/63/638586563.db2.gz ZOWKNGRMXJZCLT-PKOBYXMFSA-N 1 3 297.446 3.426 20 0 CGADHO CC(C)([NH3+])CCN[C@H]1CCc2ccc(Br)cc21 ZINC000925737125 638589847 /nfs/dbraw/zinc/58/98/47/638589847.db2.gz FUSFYSCRLDGIQW-ZDUSSCGKSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccccc21 ZINC000925776522 638607810 /nfs/dbraw/zinc/60/78/10/638607810.db2.gz KZMXNNRXYFKMDI-LALPHHSUSA-N 1 3 280.362 3.069 20 0 CGADHO CC(C)C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925791489 638614150 /nfs/dbraw/zinc/61/41/50/638614150.db2.gz QZJCLTOIKNDANL-HZSPNIEDSA-N 1 3 266.454 3.280 20 0 CGADHO C(C[C@@H]1C[C@H]1C1CC1)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925803311 638618364 /nfs/dbraw/zinc/61/83/64/638618364.db2.gz XGCNDSOCHFFYAP-XDNAFOTISA-N 1 3 276.468 3.181 20 0 CGADHO Cc1ccncc1CN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926526013 638781522 /nfs/dbraw/zinc/78/15/22/638781522.db2.gz QVDBMHVYPVZMDR-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000926736858 638805378 /nfs/dbraw/zinc/80/53/78/638805378.db2.gz BPPQPGBHXRYLJN-DZOHQFGASA-N 1 3 274.452 3.053 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@]23C[C@H]2CCC3)CC1 ZINC000927120936 638845341 /nfs/dbraw/zinc/84/53/41/638845341.db2.gz WWIAOBATDSEFNF-CJNGLKHVSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H](c1ccc(F)nc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309766 638989920 /nfs/dbraw/zinc/98/99/20/638989920.db2.gz LWBAOZZPYCGMSC-AWEZNQCLSA-N 1 3 291.414 3.090 20 0 CGADHO C[N@@H+]1C[C@@]2(C)CN(CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316799 639134330 /nfs/dbraw/zinc/13/43/30/639134330.db2.gz KMVPRLCICGTFJG-SOUVJXGZSA-N 1 3 286.410 3.086 20 0 CGADHO C[N@H+]1C[C@@]2(C)CN(CC[C@@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316799 639134333 /nfs/dbraw/zinc/13/43/33/639134333.db2.gz KMVPRLCICGTFJG-SOUVJXGZSA-N 1 3 286.410 3.086 20 0 CGADHO C[NH+]1C[C@]2(C)CN(CC[C@H]3CCCC3(F)F)C[C@@]2(C)C1 ZINC000931316797 639134487 /nfs/dbraw/zinc/13/44/87/639134487.db2.gz KMVPRLCICGTFJG-RBSFLKMASA-N 1 3 286.410 3.086 20 0 CGADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000931700323 639192022 /nfs/dbraw/zinc/19/20/22/639192022.db2.gz NMWJEMRDHDBECF-INIZCTEOSA-N 1 3 292.467 3.038 20 0 CGADHO C[C@@H]1CCN(Cc2csc3ccccc23)C[C@H]1C[NH3+] ZINC000253194598 640874574 /nfs/dbraw/zinc/87/45/74/640874574.db2.gz QJCOAPUXAGGHGR-CHWSQXEVSA-N 1 3 274.433 3.318 20 0 CGADHO Cc1cc2[nH]ccc2c(N2CC[NH2+]C[C@@H]2c2cccs2)n1 ZINC001156097304 805653216 /nfs/dbraw/zinc/65/32/16/805653216.db2.gz HICUMRZVFISOOC-CQSZACIVSA-N 1 3 298.415 3.084 20 0 CGADHO Cc1nc2ccc(Nc3ccc4c(c3)C[NH2+]C4)cc2[nH]1 ZINC001159472820 806108648 /nfs/dbraw/zinc/10/86/48/806108648.db2.gz TVZIEUOAWVIWIK-UHFFFAOYSA-N 1 3 264.332 3.218 20 0 CGADHO CCCC[NH+](CCCC)CCCNC[C@H](O)CCC ZINC001252799319 806121759 /nfs/dbraw/zinc/12/17/59/806121759.db2.gz PTDZEFXRSBMORE-MRXNPFEDSA-N 1 3 272.477 3.029 20 0 CGADHO [NH3+]Cc1cccc2ccn(-c3cc(N4CCCC4)ccn3)c21 ZINC001160460958 806275657 /nfs/dbraw/zinc/27/56/57/806275657.db2.gz QFKAZCLVCNCQFN-UHFFFAOYSA-N 1 3 292.386 3.084 20 0 CGADHO CN1CCC[C@@H]([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001254507333 806427253 /nfs/dbraw/zinc/42/72/53/806427253.db2.gz AUXFWXVFFMKHRP-CJNGLKHVSA-N 1 3 293.842 3.260 20 0 CGADHO CN1CCC[C@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515579 806436185 /nfs/dbraw/zinc/43/61/85/806436185.db2.gz YRGPWCWCLRUICA-ZFWWWQNUSA-N 1 3 294.826 3.238 20 0 CGADHO CCC(CC)N1CCC([NH2+]C2CCC(OC)CC2)CC1 ZINC001255452930 806642469 /nfs/dbraw/zinc/64/24/69/806642469.db2.gz YZLURPXMYYLFAW-UHFFFAOYSA-N 1 3 282.472 3.187 20 0 CGADHO COC1CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001255451783 806642679 /nfs/dbraw/zinc/64/26/79/806642679.db2.gz VODOIULDEPADGX-FAEJEUNOSA-N 1 3 290.451 3.041 20 0 CGADHO COC1CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001255451783 806642683 /nfs/dbraw/zinc/64/26/83/806642683.db2.gz VODOIULDEPADGX-FAEJEUNOSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc2c(c1)CCO2 ZINC000037229602 798864412 /nfs/dbraw/zinc/86/44/12/798864412.db2.gz HSSJXYPDINHAOE-QGZVFWFLSA-N 1 3 288.435 3.148 20 0 CGADHO Cc1c2[nH]cnc2ccc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163215052 806724906 /nfs/dbraw/zinc/72/49/06/806724906.db2.gz DTBPLRFSSCTIQU-AEFFLSMTSA-N 1 3 292.386 3.386 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NCC[C@H]1CCC[N@@H+]1C ZINC001255727453 806722302 /nfs/dbraw/zinc/72/23/02/806722302.db2.gz DZGQQDBIXQGTSZ-DZGCQCFKSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NCC[C@H]1CCC[N@H+]1C ZINC001255727453 806722309 /nfs/dbraw/zinc/72/23/09/806722309.db2.gz DZGQQDBIXQGTSZ-DZGCQCFKSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC001255727453 806722314 /nfs/dbraw/zinc/72/23/14/806722314.db2.gz DZGQQDBIXQGTSZ-DZGCQCFKSA-N 1 3 296.455 3.380 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@H](CN)C1 ZINC000380768050 799366567 /nfs/dbraw/zinc/36/65/67/799366567.db2.gz ZETFVILXLOLBFQ-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@H](CN)C1 ZINC000380768050 799366571 /nfs/dbraw/zinc/36/65/71/799366571.db2.gz ZETFVILXLOLBFQ-CQSZACIVSA-N 1 3 271.408 3.037 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000381451583 799380593 /nfs/dbraw/zinc/38/05/93/799380593.db2.gz GZWYOEYCBRKULK-GUYCJALGSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@H]1[C@@H](N)CCC[N@H+]1Cc1cccc2ccccc21 ZINC000381451583 799380600 /nfs/dbraw/zinc/38/06/00/799380600.db2.gz GZWYOEYCBRKULK-GUYCJALGSA-N 1 3 254.377 3.151 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)CN(C)C ZINC000386431809 799436339 /nfs/dbraw/zinc/43/63/39/799436339.db2.gz BGCAWVAWSPHHNV-LVQVYYBASA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000393002255 799483866 /nfs/dbraw/zinc/48/38/66/799483866.db2.gz UKHNETXSXIDRDQ-OAHLLOKOSA-N 1 3 270.486 3.125 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000394381550 799496409 /nfs/dbraw/zinc/49/64/09/799496409.db2.gz QQAJESOSZZMGKD-OFLPRAFFSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)(C)SCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000397293734 799515635 /nfs/dbraw/zinc/51/56/35/799515635.db2.gz YLOYAXIMQOQIEN-UONOGXRCSA-N 1 3 264.438 3.253 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC000687964335 799743733 /nfs/dbraw/zinc/74/37/33/799743733.db2.gz XMWWSQDVLVHCRA-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC000687964335 799743736 /nfs/dbraw/zinc/74/37/36/799743736.db2.gz XMWWSQDVLVHCRA-LBPRGKRZSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@H]([N@H+](C)Cc1cc2c(s1)CCNC2)C1(C)CC1 ZINC000688047709 799744441 /nfs/dbraw/zinc/74/44/41/799744441.db2.gz HOCIKPFSPBFNHF-NSHDSACASA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H]([N@@H+](C)Cc1cc2c(s1)CCNC2)C1(C)CC1 ZINC000688047709 799744444 /nfs/dbraw/zinc/74/44/44/799744444.db2.gz HOCIKPFSPBFNHF-NSHDSACASA-N 1 3 264.438 3.014 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001255945873 806793058 /nfs/dbraw/zinc/79/30/58/806793058.db2.gz OIZNIJMJRRRVIP-AWEZNQCLSA-N 1 3 299.503 3.107 20 0 CGADHO C[C@H]1C[N@@H+](C2CCC(C(C)(C)C)CC2)C[C@H]1CN ZINC000708834572 799996640 /nfs/dbraw/zinc/99/66/40/799996640.db2.gz FSKOYJKBDCXHDY-ZUJMUWTESA-N 1 3 252.446 3.118 20 0 CGADHO C[C@H]1C[N@H+](C2CCC(C(C)(C)C)CC2)C[C@H]1CN ZINC000708834572 799996646 /nfs/dbraw/zinc/99/66/46/799996646.db2.gz FSKOYJKBDCXHDY-ZUJMUWTESA-N 1 3 252.446 3.118 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001255951236 806794935 /nfs/dbraw/zinc/79/49/35/806794935.db2.gz OMBGDCPMFLBJRP-GFCCVEGCSA-N 1 3 274.399 3.274 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001255953482 806796995 /nfs/dbraw/zinc/79/69/95/806796995.db2.gz RPQJFGPZJKCUET-HZPDHXFCSA-N 1 3 292.467 3.336 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@H]1C ZINC000715509611 800137742 /nfs/dbraw/zinc/13/77/42/800137742.db2.gz NFJNMSVBJYKBLP-SUJAAXHWSA-N 1 3 252.446 3.274 20 0 CGADHO CCc1cnc(CNC2CCC(C)([NH+](C)C)CC2)s1 ZINC000715552369 800138810 /nfs/dbraw/zinc/13/88/10/800138810.db2.gz NVVFVWKRDQKOJP-UHFFFAOYSA-N 1 3 281.469 3.058 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)CCN1 ZINC000716333030 800168594 /nfs/dbraw/zinc/16/85/94/800168594.db2.gz BWINWUKRISMXQG-JQWIXIFHSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@H]1C[C@@H](NCCc2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000716333030 800168598 /nfs/dbraw/zinc/16/85/98/800168598.db2.gz BWINWUKRISMXQG-JQWIXIFHSA-N 1 3 287.234 3.266 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]CCCN2CCC(C)CC2)CC1 ZINC000718748435 800220399 /nfs/dbraw/zinc/22/03/99/800220399.db2.gz ACNSGZPXEDLXJB-IRXDYDNUSA-N 1 3 282.472 3.046 20 0 CGADHO COc1cccc(C[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC001256153988 806836791 /nfs/dbraw/zinc/83/67/91/806836791.db2.gz RQZPXODKNIMLLQ-XIRDDKMYSA-N 1 3 290.451 3.089 20 0 CGADHO CC(C)(C)[NH+]1CCC(N2CCC[C@H](F)CC2)CC1 ZINC001256569707 806919655 /nfs/dbraw/zinc/91/96/55/806919655.db2.gz NWMCOHKMMLWOPA-ZDUSSCGKSA-N 1 3 256.409 3.073 20 0 CGADHO CC(C)OC(=O)CC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001172755518 808432046 /nfs/dbraw/zinc/43/20/46/808432046.db2.gz IGXPYAITWXODQK-OAHLLOKOSA-N 1 3 298.471 3.090 20 0 CGADHO CC(C)OC(=O)CC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001172755518 808432049 /nfs/dbraw/zinc/43/20/49/808432049.db2.gz IGXPYAITWXODQK-OAHLLOKOSA-N 1 3 298.471 3.090 20 0 CGADHO Cc1ccc(CC2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC001118241874 802541216 /nfs/dbraw/zinc/54/12/16/802541216.db2.gz QAOCEWCAPFJNIR-LJQANCHMSA-N 1 3 286.463 3.249 20 0 CGADHO c1cc(N2CC[NH2+]CC2)cc(-c2ccc(C3CCC3)cc2)n1 ZINC001244944454 803584962 /nfs/dbraw/zinc/58/49/62/803584962.db2.gz OUGMPQWGLZJGJP-UHFFFAOYSA-N 1 3 293.414 3.426 20 0 CGADHO CCN1C[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687845 803758711 /nfs/dbraw/zinc/75/87/11/803758711.db2.gz FWZGBFMPUOLWTG-GASCZTMLSA-N 1 3 286.444 3.285 20 0 CGADHO CCN1C[C@@H]2C[N@H+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC001137687845 803758713 /nfs/dbraw/zinc/75/87/13/803758713.db2.gz FWZGBFMPUOLWTG-GASCZTMLSA-N 1 3 286.444 3.285 20 0 CGADHO CC[NH+](CC)Cc1ccccc1Nc1nccn1C ZINC001211986844 814963536 /nfs/dbraw/zinc/96/35/36/814963536.db2.gz WMAFPXRULANBDC-UHFFFAOYSA-N 1 3 258.369 3.006 20 0 CGADHO Cc1ccc(C)c(CCN[C@H]2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001246072213 804110587 /nfs/dbraw/zinc/11/05/87/804110587.db2.gz HCSDBCVKMQBFPV-ROUUACIJSA-N 1 3 274.452 3.212 20 0 CGADHO CC(C)C1CCC(N[C@H](C[NH3+])c2ccccc2)CC1 ZINC001246073961 804112889 /nfs/dbraw/zinc/11/28/89/804112889.db2.gz BUPUGFLILGCZAJ-BDVYOWHSSA-N 1 3 260.425 3.491 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(F)cc2)CC[NH2+]1 ZINC001246075395 804114613 /nfs/dbraw/zinc/11/46/13/804114613.db2.gz SXYOWPHNOWNITB-SJORKVTESA-N 1 3 278.415 3.269 20 0 CGADHO C[C@H](Cc1ccccc1F)NC[C@]1(C)CCCC[NH2+]C1 ZINC001246090643 804122259 /nfs/dbraw/zinc/12/22/59/804122259.db2.gz LIEVFTHOCKJWRR-RHSMWYFYSA-N 1 3 278.415 3.126 20 0 CGADHO CCCC1CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246102783 804134966 /nfs/dbraw/zinc/13/49/66/804134966.db2.gz FMUWQJKZPVCVKW-SLTXQBBLSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC001246112850 804144973 /nfs/dbraw/zinc/14/49/73/804144973.db2.gz OWXCSHZFEDCNCZ-OWCLPIDISA-N 1 3 292.492 3.311 20 0 CGADHO CC[C@H](C[C@@H](C)CC)NC[C@]1(F)CCCC[NH2+]C1 ZINC001246117018 804149494 /nfs/dbraw/zinc/14/94/94/804149494.db2.gz YUGNVCMVRUXGKJ-ZNMIVQPWSA-N 1 3 258.425 3.273 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2cccc(Cl)c2)CC[NH2+]1 ZINC001246152813 804170950 /nfs/dbraw/zinc/17/09/50/804170950.db2.gz ORMBHIFUGXEHSS-JKSUJKDBSA-N 1 3 280.843 3.249 20 0 CGADHO C[NH2+]CC[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC001246151796 804171121 /nfs/dbraw/zinc/17/11/21/804171121.db2.gz GQQZRCXNYDQCGK-ZIAGYGMSSA-N 1 3 256.393 3.488 20 0 CGADHO C[C@H]1C[C@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246178504 804192122 /nfs/dbraw/zinc/19/21/22/804192122.db2.gz JSWKLDMHHWDRPP-GOEBONIOSA-N 1 3 258.409 3.186 20 0 CGADHO C(CC1CCCCCCC1)N[C@H]1CCCC[NH2+]C1 ZINC001246239444 804231914 /nfs/dbraw/zinc/23/19/14/804231914.db2.gz RPUPASYSOROSSN-INIZCTEOSA-N 1 3 252.446 3.469 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC(C)(C)CN ZINC001246242977 804235016 /nfs/dbraw/zinc/23/50/16/804235016.db2.gz FZGMBHOPGWQNCU-SNVBAGLBSA-N 1 3 289.250 3.499 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]Cc1c[nH]c2ccccc12 ZINC001246244142 804235382 /nfs/dbraw/zinc/23/53/82/804235382.db2.gz KSKYWBKKAHVJHL-AWEZNQCLSA-N 1 3 273.424 3.378 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)CN ZINC001246242951 804235639 /nfs/dbraw/zinc/23/56/39/804235639.db2.gz FUVJFZXRZAWDOL-INIZCTEOSA-N 1 3 262.441 3.362 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1ccc(-c2cccnc2)cc1 ZINC001139640483 804240609 /nfs/dbraw/zinc/24/06/09/804240609.db2.gz UPWCLIHDAIXWFX-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1ccc(-c2cccnc2)cc1 ZINC001139640483 804240612 /nfs/dbraw/zinc/24/06/12/804240612.db2.gz UPWCLIHDAIXWFX-UHFFFAOYSA-N 1 3 283.419 3.132 20 0 CGADHO C[C@@H]([NH3+])CCN[C@H](C)CSc1ccc(Cl)cc1 ZINC001246303559 804268808 /nfs/dbraw/zinc/26/88/08/804268808.db2.gz IRXMZYTXXKAFTQ-GHMZBOCLSA-N 1 3 272.845 3.148 20 0 CGADHO C[C@@H](CC1CCCCC1)[NH2+]C1C[C@@H](C)N[C@H](C)C1 ZINC001246316200 804278041 /nfs/dbraw/zinc/27/80/41/804278041.db2.gz PZWHHMVYZMQPGT-BFHYXJOUSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246327928 804284804 /nfs/dbraw/zinc/28/48/04/804284804.db2.gz VGANSJSPKUHJGM-BGTYHANMSA-N 1 3 272.436 3.443 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CCN[C@@H](CC)C2)CC1 ZINC001246339597 804292582 /nfs/dbraw/zinc/29/25/82/804292582.db2.gz QMWCDVPJDQLZTQ-BHDPWAOGSA-N 1 3 252.446 3.466 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCc2ccc(C(C)C)cc2)CCN1 ZINC001246344270 804296411 /nfs/dbraw/zinc/29/64/11/804296411.db2.gz QJJDLADJMSRYMH-ZWKOTPCHSA-N 1 3 274.452 3.473 20 0 CGADHO CC[C@H]1C[C@H](NCCc2ccc(C(C)C)cc2)CC[NH2+]1 ZINC001246344270 804296417 /nfs/dbraw/zinc/29/64/17/804296417.db2.gz QJJDLADJMSRYMH-ZWKOTPCHSA-N 1 3 274.452 3.473 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2ccc3[nH]ccc3c2)CC[NH2+]1 ZINC001246364866 804306150 /nfs/dbraw/zinc/30/61/50/804306150.db2.gz MUAYQSFACWFERN-WMZOPIPTSA-N 1 3 285.435 3.077 20 0 CGADHO Cc1ccc(CC(C)(C)C[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC001246383393 804312722 /nfs/dbraw/zinc/31/27/22/804312722.db2.gz IYOUGBLYTDXHFK-WBVHZDCISA-N 1 3 274.452 3.294 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3F)CCNCC2)C1 ZINC001246381328 804313625 /nfs/dbraw/zinc/31/36/25/804313625.db2.gz PEEVHULQAMWUNX-GDBMZVCRSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@@H]1CC([NH2+]C2(CC3CC3)CCNCC2)C[C@@H](C)C1 ZINC001246380094 804314101 /nfs/dbraw/zinc/31/41/01/804314101.db2.gz DHNMXEDCJNIRGA-KBPBESRZSA-N 1 3 264.457 3.323 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(C)cc3)CC2)CCN1 ZINC001246383840 804315605 /nfs/dbraw/zinc/31/56/05/804315605.db2.gz LPCCXHCSNPHEAM-MSOLQXFVSA-N 1 3 286.463 3.438 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CCC2)CCN1 ZINC001246387519 804317259 /nfs/dbraw/zinc/31/72/59/804317259.db2.gz GJZNPLCHNZNJJA-HOCLYGCPSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1ccccc1CC1(C[NH2+]C2C[C@H](C)N[C@@H](C)C2)CC1 ZINC001246387521 804317408 /nfs/dbraw/zinc/31/74/08/804317408.db2.gz HURAFUILMJKQOV-HOTGVXAUSA-N 1 3 286.463 3.436 20 0 CGADHO C[C@@H]1CC([NH2+]C2(Cc3cccc(F)c3)CCC2)C[C@@H](C)N1 ZINC001246387540 804318625 /nfs/dbraw/zinc/31/86/25/804318625.db2.gz GXCLDOUKMJLTNT-ZIAGYGMSSA-N 1 3 290.426 3.410 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3C)CC2)CCN1 ZINC001246396988 804322163 /nfs/dbraw/zinc/32/21/63/804322163.db2.gz RFALQKVECCOMOO-QZTJIDSGSA-N 1 3 286.463 3.438 20 0 CGADHO CCC1([NH2+][C@@H]2CCN[C@H](C)C2)CCC(F)(F)CC1 ZINC001246409866 804323860 /nfs/dbraw/zinc/32/38/60/804323860.db2.gz CUPRQTPETFYOIZ-VXGBXAGGSA-N 1 3 260.372 3.075 20 0 CGADHO CC(C)(Cc1cccc(F)c1)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246410740 804324065 /nfs/dbraw/zinc/32/40/65/804324065.db2.gz LJMXSANOVXQZIK-HNNXBMFYSA-N 1 3 278.415 3.267 20 0 CGADHO CCC[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246455201 804337588 /nfs/dbraw/zinc/33/75/88/804337588.db2.gz HNAWDSIKKVXTDK-AWEZNQCLSA-N 1 3 278.415 3.269 20 0 CGADHO CCC(CC)[NH2+]C1(Cc2cccc(F)c2)CCNCC1 ZINC001246469996 804347665 /nfs/dbraw/zinc/34/76/65/804347665.db2.gz YIYCUJUHKHHXPJ-UHFFFAOYSA-N 1 3 278.415 3.269 20 0 CGADHO CCCCCC1CCC(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246472605 804349617 /nfs/dbraw/zinc/34/96/17/804349617.db2.gz HCHKSIYKAUBQCC-RYAZAAMFSA-N 1 3 276.468 3.489 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCNCC12CC2 ZINC001246476244 804352011 /nfs/dbraw/zinc/35/20/11/804352011.db2.gz YGFQBVMNPZGDIA-DOMZBBRYSA-N 1 3 278.827 3.003 20 0 CGADHO C1=C[C@H](NC2CCC(Cc3ccccc3)CC2)[C@H]2C[NH2+]C[C@H]12 ZINC001246474779 804352989 /nfs/dbraw/zinc/35/29/89/804352989.db2.gz BIWNZHQBBCVGHW-TZCBXBLLSA-N 1 3 296.458 3.152 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)[C@H]2C[NH2+]C[C@H]12 ZINC001246476567 804353109 /nfs/dbraw/zinc/35/31/09/804353109.db2.gz XSONGMKUBULGFU-LFDJNIOPSA-N 1 3 282.431 3.076 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478029 804354926 /nfs/dbraw/zinc/35/49/26/804354926.db2.gz MMOBNHRKSAEKGX-KMUNFCNLSA-N 1 3 284.806 3.270 20 0 CGADHO [NH3+]C[C@@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506740 804365742 /nfs/dbraw/zinc/36/57/42/804365742.db2.gz JKUVCSRRTPBRHR-MGPQQGTHSA-N 1 3 286.341 3.397 20 0 CGADHO C1CC1[C@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246517531 804371234 /nfs/dbraw/zinc/37/12/34/804371234.db2.gz MMZONWYOVUQSKC-IRXDYDNUSA-N 1 3 276.468 3.467 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246521368 804375768 /nfs/dbraw/zinc/37/57/68/804375768.db2.gz ZTRGAXWDBIJEHI-ZENOOKHLSA-N 1 3 252.446 3.035 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1CCC([NH3+])CC1 ZINC001246526429 804381841 /nfs/dbraw/zinc/38/18/41/804381841.db2.gz WXZIOJQGSYCKKR-QGZVFWFLSA-N 1 3 260.425 3.211 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH+]1CCC(N)CC1 ZINC001246526429 804381850 /nfs/dbraw/zinc/38/18/50/804381850.db2.gz WXZIOJQGSYCKKR-QGZVFWFLSA-N 1 3 260.425 3.211 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@H]([NH3+])CC1 ZINC001246546469 804395347 /nfs/dbraw/zinc/39/53/47/804395347.db2.gz MZPSXEOILMFJID-WFASDCNBSA-N 1 3 266.816 3.084 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001246550277 804401095 /nfs/dbraw/zinc/40/10/95/804401095.db2.gz JGBVQJNETXSHHC-RYQLBKOJSA-N 1 3 274.452 3.315 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001246550277 804401100 /nfs/dbraw/zinc/40/11/00/804401100.db2.gz JGBVQJNETXSHHC-RYQLBKOJSA-N 1 3 274.452 3.315 20 0 CGADHO C[C@]1([NH3+])CCCN([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001246552048 804402708 /nfs/dbraw/zinc/40/27/08/804402708.db2.gz NPOXJQOZBOLMBZ-BBRMVZONSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553400 804402746 /nfs/dbraw/zinc/40/27/46/804402746.db2.gz RMJYCMDFSZIAFX-WMLDXEAASA-N 1 3 292.854 3.401 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246554158 804404171 /nfs/dbraw/zinc/40/41/71/804404171.db2.gz CSBXLLVQRIFFJE-XQQFMLRXSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C)C[C@H](CC)[N@H+]1CCC(F)(F)[C@H](CN)C1 ZINC001246554158 804404173 /nfs/dbraw/zinc/40/41/73/804404173.db2.gz CSBXLLVQRIFFJE-XQQFMLRXSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](C)C[C@H](CC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246554158 804404177 /nfs/dbraw/zinc/40/41/77/804404177.db2.gz CSBXLLVQRIFFJE-XQQFMLRXSA-N 1 3 262.388 3.117 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246571082 804417267 /nfs/dbraw/zinc/41/72/67/804417267.db2.gz KUGZKWPWIRPYIA-MWDXBVQZSA-N 1 3 264.457 3.419 20 0 CGADHO [NH3+]C[C@]1(F)CCCCN([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576410 804422394 /nfs/dbraw/zinc/42/23/94/804422394.db2.gz KDYTYEFIKKGUTL-FGTMMUONSA-N 1 3 290.426 3.476 20 0 CGADHO CC(C)[N@H+]([C@@H]1CCC[C@@H](C)C1)[C@H]1CCCNCC1 ZINC001246590614 804433219 /nfs/dbraw/zinc/43/32/19/804433219.db2.gz HJHRJGDMFRTWPB-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@@H]1CCC[C@@H](C)C1)[C@H]1CCCNCC1 ZINC001246590614 804433224 /nfs/dbraw/zinc/43/32/24/804433224.db2.gz HJHRJGDMFRTWPB-OWCLPIDISA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CCCNCC1 ZINC001246593352 804435456 /nfs/dbraw/zinc/43/54/56/804435456.db2.gz MLIWREJFNAXJOE-FPCVCCKLSA-N 1 3 264.457 3.274 20 0 CGADHO CC(C)[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H]1CCCNCC1 ZINC001246593352 804435458 /nfs/dbraw/zinc/43/54/58/804435458.db2.gz MLIWREJFNAXJOE-FPCVCCKLSA-N 1 3 264.457 3.274 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599050 804439088 /nfs/dbraw/zinc/43/90/88/804439088.db2.gz AFGQXSXLGPBOQE-HZPDHXFCSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246599050 804439092 /nfs/dbraw/zinc/43/90/92/804439092.db2.gz AFGQXSXLGPBOQE-HZPDHXFCSA-N 1 3 250.430 3.197 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246607280 804441539 /nfs/dbraw/zinc/44/15/39/804441539.db2.gz GJDSELYQLBZJML-AEFFLSMTSA-N 1 3 272.436 3.144 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@H+]2CCC[C@]23CCCNC3)cc1 ZINC001246607280 804441543 /nfs/dbraw/zinc/44/15/43/804441543.db2.gz GJDSELYQLBZJML-AEFFLSMTSA-N 1 3 272.436 3.144 20 0 CGADHO CC[C@H](C)OCC[C@H](C)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610807 804445350 /nfs/dbraw/zinc/44/53/50/804445350.db2.gz NZYIRCSNJFBDAR-ULQDDVLXSA-N 1 3 282.472 3.046 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@]4(C3)CCCNC4)C2)cc1 ZINC001246613875 804448088 /nfs/dbraw/zinc/44/80/88/804448088.db2.gz ZJEYLJGIXLHPLR-CEXWTWQISA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@]4(C3)CCCNC4)C2)cc1 ZINC001246613875 804448094 /nfs/dbraw/zinc/44/80/94/804448094.db2.gz ZJEYLJGIXLHPLR-CEXWTWQISA-N 1 3 284.447 3.398 20 0 CGADHO C1C[NH2+][C@@]2(C1)CCCN(C1CCCCCCC1)C2 ZINC001246621520 804453646 /nfs/dbraw/zinc/45/36/46/804453646.db2.gz OXAFETVMIONDTA-INIZCTEOSA-N 1 3 250.430 3.317 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC2(CNC2)C1 ZINC001246631611 804462133 /nfs/dbraw/zinc/46/21/33/804462133.db2.gz RJHYUKHSCJMXFC-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC2(CNC2)C1 ZINC001246631611 804462137 /nfs/dbraw/zinc/46/21/37/804462137.db2.gz RJHYUKHSCJMXFC-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246634710 804463917 /nfs/dbraw/zinc/46/39/17/804463917.db2.gz HAFNXHPAWYSYGG-GOSISDBHSA-N 1 3 296.499 3.149 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246634710 804463919 /nfs/dbraw/zinc/46/39/19/804463919.db2.gz HAFNXHPAWYSYGG-GOSISDBHSA-N 1 3 296.499 3.149 20 0 CGADHO CCCCCC[C@H](CC)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246634040 804464270 /nfs/dbraw/zinc/46/42/70/804464270.db2.gz GUBOJCTVXRJUHH-ROUUACIJSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@H](CC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246634040 804464272 /nfs/dbraw/zinc/46/42/72/804464272.db2.gz GUBOJCTVXRJUHH-ROUUACIJSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCCC[C@H](CC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246634040 804464275 /nfs/dbraw/zinc/46/42/75/804464275.db2.gz GUBOJCTVXRJUHH-ROUUACIJSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCC(CCCC)[N@@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246633905 804464474 /nfs/dbraw/zinc/46/44/74/804464474.db2.gz FCYNGOFZGHQGFD-SFHVURJKSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCC(CCCC)[N@H+]1CCOC[C@]2(CCCNC2)C1 ZINC001246633905 804464478 /nfs/dbraw/zinc/46/44/78/804464478.db2.gz FCYNGOFZGHQGFD-SFHVURJKSA-N 1 3 296.499 3.437 20 0 CGADHO C1C[C@@]2(CC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638449 804467387 /nfs/dbraw/zinc/46/73/87/804467387.db2.gz SFLHXXXSUMJFRY-WBVHZDCISA-N 1 3 262.441 3.317 20 0 CGADHO C1C[C@@]2(CC[N@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)N1 ZINC001246638449 804467389 /nfs/dbraw/zinc/46/73/89/804467389.db2.gz SFLHXXXSUMJFRY-WBVHZDCISA-N 1 3 262.441 3.317 20 0 CGADHO CCCCC[C@@H](CCC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642527 804470452 /nfs/dbraw/zinc/47/04/52/804470452.db2.gz WSPBHNKEYCZZQA-QZTJIDSGSA-N 1 3 296.499 3.437 20 0 CGADHO CCCCC[C@@H](CCC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642527 804470455 /nfs/dbraw/zinc/47/04/55/804470455.db2.gz WSPBHNKEYCZZQA-QZTJIDSGSA-N 1 3 296.499 3.437 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC13CCNCC3)C2 ZINC001246646935 804473320 /nfs/dbraw/zinc/47/33/20/804473320.db2.gz RBZCFYXWHICXMM-QGZVFWFLSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+]1CCCC13CCNCC3)C2 ZINC001246646935 804473324 /nfs/dbraw/zinc/47/33/24/804473324.db2.gz RBZCFYXWHICXMM-QGZVFWFLSA-N 1 3 284.447 3.070 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246652022 804479356 /nfs/dbraw/zinc/47/93/56/804479356.db2.gz NTNCVYKDRJVUDY-QUCCMNQESA-N 1 3 298.474 3.460 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@]13CCCNC3)C2 ZINC001246652022 804479360 /nfs/dbraw/zinc/47/93/60/804479360.db2.gz NTNCVYKDRJVUDY-QUCCMNQESA-N 1 3 298.474 3.460 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661405 804483356 /nfs/dbraw/zinc/48/33/56/804483356.db2.gz WVDJCPVWBIECKP-JJXSEGSLSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661405 804483358 /nfs/dbraw/zinc/48/33/58/804483358.db2.gz WVDJCPVWBIECKP-JJXSEGSLSA-N 1 3 252.446 3.131 20 0 CGADHO CCC(CC)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674634 804490717 /nfs/dbraw/zinc/49/07/17/804490717.db2.gz VIZMXXBMWPCYET-HKUYNNGSSA-N 1 3 286.463 3.428 20 0 CGADHO CCC(CC)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246674634 804490723 /nfs/dbraw/zinc/49/07/23/804490723.db2.gz VIZMXXBMWPCYET-HKUYNNGSSA-N 1 3 286.463 3.428 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246680780 804493970 /nfs/dbraw/zinc/49/39/70/804493970.db2.gz LFNOGNJVSJIVHA-INMHGKMJSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246680780 804493976 /nfs/dbraw/zinc/49/39/76/804493976.db2.gz LFNOGNJVSJIVHA-INMHGKMJSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246680782 804494260 /nfs/dbraw/zinc/49/42/60/804494260.db2.gz LFNOGNJVSJIVHA-VYDXJSESSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246680782 804494262 /nfs/dbraw/zinc/49/42/62/804494262.db2.gz LFNOGNJVSJIVHA-VYDXJSESSA-N 1 3 258.409 3.272 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)CCN1 ZINC001246692061 804499283 /nfs/dbraw/zinc/49/92/83/804499283.db2.gz SXYHELHWAMTZBF-YOEHRIQHSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H]1C[C@@H](N2CCC(c3ccccc3)CC2)CC[NH2+]1 ZINC001246692061 804499287 /nfs/dbraw/zinc/49/92/87/804499287.db2.gz SXYHELHWAMTZBF-YOEHRIQHSA-N 1 3 258.409 3.007 20 0 CGADHO CCCC1CCC([N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246693738 804499612 /nfs/dbraw/zinc/49/96/12/804499612.db2.gz QKVWOOPUJJQJIY-GQGLESIBSA-N 1 3 282.447 3.369 20 0 CGADHO CCCC1CCC([N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001246693738 804499615 /nfs/dbraw/zinc/49/96/15/804499615.db2.gz QKVWOOPUJJQJIY-GQGLESIBSA-N 1 3 282.447 3.369 20 0 CGADHO CC[C@H]1C[C@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246777683 804505862 /nfs/dbraw/zinc/50/58/62/804505862.db2.gz RYHPUKVHQYDNTD-DLBZAZTESA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@H]1C[C@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246777683 804505865 /nfs/dbraw/zinc/50/58/65/804505865.db2.gz RYHPUKVHQYDNTD-DLBZAZTESA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@H]1C[C@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777683 804505868 /nfs/dbraw/zinc/50/58/68/804505868.db2.gz RYHPUKVHQYDNTD-DLBZAZTESA-N 1 3 260.425 3.082 20 0 CGADHO C[C@@H]1C[C@H]([N@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246781591 804508078 /nfs/dbraw/zinc/50/80/78/804508078.db2.gz HNDCGGGABBHUDP-BWAJOPIQSA-N 1 3 262.441 3.028 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+](C)C23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246781591 804508084 /nfs/dbraw/zinc/50/80/84/804508084.db2.gz HNDCGGGABBHUDP-BWAJOPIQSA-N 1 3 262.441 3.028 20 0 CGADHO c1ccc([C@@H]2CC[C@H](N3CCCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246791561 804514755 /nfs/dbraw/zinc/51/47/55/804514755.db2.gz LJIQGKIFXJLMIR-SJORKVTESA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246791561 804514759 /nfs/dbraw/zinc/51/47/59/804514759.db2.gz LJIQGKIFXJLMIR-SJORKVTESA-N 1 3 270.420 3.008 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([N@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246791561 804514763 /nfs/dbraw/zinc/51/47/63/804514763.db2.gz LJIQGKIFXJLMIR-SJORKVTESA-N 1 3 270.420 3.008 20 0 CGADHO CC(C)(C)C1CCC(N2CCCC3(C[NH2+]C3)C2)CC1 ZINC001246791925 804516380 /nfs/dbraw/zinc/51/63/80/804516380.db2.gz NHVULKBRDIGAHH-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)(C)C1CCC([N@@H+]2CCCC3(CNC3)C2)CC1 ZINC001246791925 804516383 /nfs/dbraw/zinc/51/63/83/804516383.db2.gz NHVULKBRDIGAHH-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)(C)C1CCC([N@H+]2CCCC3(CNC3)C2)CC1 ZINC001246791925 804516387 /nfs/dbraw/zinc/51/63/87/804516387.db2.gz NHVULKBRDIGAHH-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)C[C@H]2C)CCN1 ZINC001246811109 804528938 /nfs/dbraw/zinc/52/89/38/804528938.db2.gz SEJFUKXZQHQHBM-KLHDSHLOSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)C[C@H]2C)CCN1 ZINC001246811109 804528942 /nfs/dbraw/zinc/52/89/42/804528942.db2.gz SEJFUKXZQHQHBM-KLHDSHLOSA-N 1 3 252.446 3.418 20 0 CGADHO C[N@H+](CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814877 804531439 /nfs/dbraw/zinc/53/14/39/804531439.db2.gz SYQSHKCEPFXFIX-FVQHAEBGSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246814877 804531443 /nfs/dbraw/zinc/53/14/43/804531443.db2.gz SYQSHKCEPFXFIX-FVQHAEBGSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@H+](CCc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246824703 804537503 /nfs/dbraw/zinc/53/75/03/804537503.db2.gz RFFSHYXLBGMOKA-ZSHCYNCHSA-N 1 3 292.854 3.487 20 0 CGADHO C[N@@H+](CCc1ccccc1Cl)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246824703 804537509 /nfs/dbraw/zinc/53/75/09/804537509.db2.gz RFFSHYXLBGMOKA-ZSHCYNCHSA-N 1 3 292.854 3.487 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CC)C2)CCN1 ZINC001246844885 804554093 /nfs/dbraw/zinc/55/40/93/804554093.db2.gz DEENXWXYVVLXQA-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CC)C2)CCN1 ZINC001246844885 804554095 /nfs/dbraw/zinc/55/40/95/804554095.db2.gz DEENXWXYVVLXQA-BZUAXINKSA-N 1 3 252.446 3.419 20 0 CGADHO CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844633 804554138 /nfs/dbraw/zinc/55/41/38/804554138.db2.gz ZTJNUXHEACYEFP-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@H]1CCCNC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844633 804554140 /nfs/dbraw/zinc/55/41/40/804554140.db2.gz ZTJNUXHEACYEFP-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246844633 804554144 /nfs/dbraw/zinc/55/41/44/804554144.db2.gz ZTJNUXHEACYEFP-SUMWQHHRSA-N 1 3 292.854 3.129 20 0 CGADHO COc1cccc([C@H]2CCCN2C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC001246848207 804557813 /nfs/dbraw/zinc/55/78/13/804557813.db2.gz MVFQDOOATYBKCC-HBUWYVDXSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@H]2CCC[N@@H+]2C2C[C@@H](C)N[C@H](C)C2)c1 ZINC001246848207 804557817 /nfs/dbraw/zinc/55/78/17/804557817.db2.gz MVFQDOOATYBKCC-HBUWYVDXSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@H]2CCC[N@H+]2C2C[C@@H](C)N[C@H](C)C2)c1 ZINC001246848207 804557820 /nfs/dbraw/zinc/55/78/20/804557820.db2.gz MVFQDOOATYBKCC-HBUWYVDXSA-N 1 3 288.435 3.361 20 0 CGADHO C[C@@H]1C[C@H](n2c3ccccc3nc2[C@H]2CCCCN2)CC[NH2+]1 ZINC001246847774 804557878 /nfs/dbraw/zinc/55/78/78/804557878.db2.gz MORCPVFQZSWSIV-IIAWOOMASA-N 1 3 298.434 3.164 20 0 CGADHO CCCCC(CCCC)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867038 804569273 /nfs/dbraw/zinc/56/92/73/804569273.db2.gz MZKJZGJBNYPYDM-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H](CC(C)C)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246869118 804571178 /nfs/dbraw/zinc/57/11/78/804571178.db2.gz TYUQUCUMTIVTRX-HRCADAONSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)CCN1 ZINC001246883312 804579429 /nfs/dbraw/zinc/57/94/29/804579429.db2.gz PDGHIFVQJFGODL-RDTXWAMCSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@H](N2CCC(Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC001246883312 804579434 /nfs/dbraw/zinc/57/94/34/804579434.db2.gz PDGHIFVQJFGODL-RDTXWAMCSA-N 1 3 290.426 3.221 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH+]3CCCNCCC3)C2)cc1 ZINC001246904741 804589879 /nfs/dbraw/zinc/58/98/79/804589879.db2.gz HZZMRSKKAMVTFM-QZTJIDSGSA-N 1 3 272.436 3.398 20 0 CGADHO CC[C@@H](C)N(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246934442 804607473 /nfs/dbraw/zinc/60/74/73/804607473.db2.gz FEHSUQMHIRMICC-CYBMUJFWSA-N 1 3 264.388 3.178 20 0 CGADHO CC[C@@H](C)[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246934442 804607477 /nfs/dbraw/zinc/60/74/77/804607477.db2.gz FEHSUQMHIRMICC-CYBMUJFWSA-N 1 3 264.388 3.178 20 0 CGADHO CC[C@@H](C)[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001246934442 804607479 /nfs/dbraw/zinc/60/74/79/804607479.db2.gz FEHSUQMHIRMICC-CYBMUJFWSA-N 1 3 264.388 3.178 20 0 CGADHO CC(C)CN([C@H]1CCC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC001246953959 804618225 /nfs/dbraw/zinc/61/82/25/804618225.db2.gz WEYTVOSUAPRLTD-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CCCc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001142367228 804719527 /nfs/dbraw/zinc/71/95/27/804719527.db2.gz IIZXKBSIZMDMDF-UHFFFAOYSA-N 1 3 272.436 3.167 20 0 CGADHO CC(C)[NH+]1CCC(N(C)CCc2ccc(F)cc2)CC1 ZINC001257217255 807062178 /nfs/dbraw/zinc/06/21/78/807062178.db2.gz KCDUVFYNWGJOJH-UHFFFAOYSA-N 1 3 278.415 3.173 20 0 CGADHO FC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167960498 807285741 /nfs/dbraw/zinc/28/57/41/807285741.db2.gz ZMEPXZMBFGCCFV-QLQQRZLESA-N 1 3 280.431 3.262 20 0 CGADHO CC(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167959560 807287063 /nfs/dbraw/zinc/28/70/63/807287063.db2.gz QVSJXPMPEUKKPT-WWTUQBGBSA-N 1 3 250.430 3.026 20 0 CGADHO CC1CCC([NH+]2CCC(N(C)C3CC3)CC2)CC1 ZINC001168222115 807355210 /nfs/dbraw/zinc/35/52/10/807355210.db2.gz XXOPQAFTYLUHES-UHFFFAOYSA-N 1 3 250.430 3.124 20 0 CGADHO CC1CCC(N2CCC([N@H+](C)C3CC3)CC2)CC1 ZINC001168222115 807355219 /nfs/dbraw/zinc/35/52/19/807355219.db2.gz XXOPQAFTYLUHES-UHFFFAOYSA-N 1 3 250.430 3.124 20 0 CGADHO CC1CCC(N2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001168222115 807355228 /nfs/dbraw/zinc/35/52/28/807355228.db2.gz XXOPQAFTYLUHES-UHFFFAOYSA-N 1 3 250.430 3.124 20 0 CGADHO Cc1cccc(CCN(C)C2CC[NH+](CC3CC3)CC2)c1 ZINC001168393139 807402583 /nfs/dbraw/zinc/40/25/83/807402583.db2.gz XDEUTZVGWNTBJB-UHFFFAOYSA-N 1 3 286.463 3.344 20 0 CGADHO CN(CCC[NH+]1CCCC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168436916 807414420 /nfs/dbraw/zinc/41/44/20/807414420.db2.gz GSYDUTBJSXTHJJ-SFHVURJKSA-N 1 3 290.426 3.101 20 0 CGADHO [NH3+]CC[C@@H]1CN(c2c[nH]cc3ccnc2-3)c2ccccc21 ZINC001168550856 807444249 /nfs/dbraw/zinc/44/42/49/807444249.db2.gz WWBFWPFHXRRHCM-CYBMUJFWSA-N 1 3 278.359 3.147 20 0 CGADHO [NH3+]CC[C@@H]1CN(c2cncc3cc[nH]c32)c2ccccc21 ZINC001168550856 807444252 /nfs/dbraw/zinc/44/42/52/807444252.db2.gz WWBFWPFHXRRHCM-CYBMUJFWSA-N 1 3 278.359 3.147 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258662930 807530982 /nfs/dbraw/zinc/53/09/82/807530982.db2.gz MOPGPRNGBNLISX-SFHVURJKSA-N 1 3 286.463 3.425 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169101551 807579199 /nfs/dbraw/zinc/57/91/99/807579199.db2.gz UFIKJFKVXWAGGZ-DFGXFYAUSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101551 807579202 /nfs/dbraw/zinc/57/92/02/807579202.db2.gz UFIKJFKVXWAGGZ-DFGXFYAUSA-N 1 3 270.420 3.197 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1OC ZINC001169108628 807579365 /nfs/dbraw/zinc/57/93/65/807579365.db2.gz UERCZFWDJUZPET-MPTYRVRUSA-N 1 3 288.435 3.361 20 0 CGADHO CCCN1CCC([N@H+](Cc2ccco2)C2CC2)CC1 ZINC001258776000 807605906 /nfs/dbraw/zinc/60/59/06/807605906.db2.gz OGYLMILLLNBRQA-UHFFFAOYSA-N 1 3 262.397 3.118 20 0 CGADHO CCCN1CCC([N@@H+](Cc2ccco2)C2CC2)CC1 ZINC001258776000 807605908 /nfs/dbraw/zinc/60/59/08/807605908.db2.gz OGYLMILLLNBRQA-UHFFFAOYSA-N 1 3 262.397 3.118 20 0 CGADHO CCCN1CCC([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001258775652 807606219 /nfs/dbraw/zinc/60/62/19/807606219.db2.gz XSIIYSARBVOMHX-GOEBONIOSA-N 1 3 250.430 3.125 20 0 CGADHO CCCN1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001258775652 807606221 /nfs/dbraw/zinc/60/62/21/807606221.db2.gz XSIIYSARBVOMHX-GOEBONIOSA-N 1 3 250.430 3.125 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCc3cc(C)ccc32)CC1 ZINC001169229583 807610034 /nfs/dbraw/zinc/61/00/34/807610034.db2.gz CGZOQITZUHDANE-QGZVFWFLSA-N 1 3 258.409 3.056 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CCC(N)(CCOC)CC1 ZINC001258788019 807613080 /nfs/dbraw/zinc/61/30/80/807613080.db2.gz YFSVXEMQDVGLFN-HUUCEWRRSA-N 1 3 270.461 3.031 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC001170198630 807792368 /nfs/dbraw/zinc/79/23/68/807792368.db2.gz ZLDRQUMKBQSQNZ-NVXWUHKLSA-N 1 3 282.472 3.187 20 0 CGADHO c1ccc2c(c1)CCCN(CCC[NH+]1CCCCC1)CC2 ZINC001170342223 807827887 /nfs/dbraw/zinc/82/78/87/807827887.db2.gz JHWRAAMJVPOJEZ-UHFFFAOYSA-N 1 3 286.463 3.353 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170716490 807883802 /nfs/dbraw/zinc/88/38/02/807883802.db2.gz UWQLHMNOWFBGGC-HHARLNAUSA-N 1 3 278.484 3.379 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171073012 807978430 /nfs/dbraw/zinc/97/84/30/807978430.db2.gz OKOZDSCAUISHIC-BXKDBHETSA-N 1 3 287.234 3.035 20 0 CGADHO CN1C(C)(C)CC([NH2+]C23CCC(O)(CC2)CC3)CC1(C)C ZINC001171622951 808106590 /nfs/dbraw/zinc/10/65/90/808106590.db2.gz DQLMJHMCEQABJW-UHFFFAOYSA-N 1 3 294.483 3.065 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098661 808170643 /nfs/dbraw/zinc/17/06/43/808170643.db2.gz GMOQZPJBHOAGRT-APIJFGDWSA-N 1 3 298.434 3.244 20 0 CGADHO C[C@@H](N)c1nc2ccccc2n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098661 808170648 /nfs/dbraw/zinc/17/06/48/808170648.db2.gz GMOQZPJBHOAGRT-APIJFGDWSA-N 1 3 298.434 3.244 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC001172104047 808173451 /nfs/dbraw/zinc/17/34/51/808173451.db2.gz ZBRMTIFWSDEVPZ-MUJYYYPQSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC001172104047 808173456 /nfs/dbraw/zinc/17/34/56/808173456.db2.gz ZBRMTIFWSDEVPZ-MUJYYYPQSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1F ZINC001172104047 808173457 /nfs/dbraw/zinc/17/34/57/808173457.db2.gz ZBRMTIFWSDEVPZ-MUJYYYPQSA-N 1 3 276.399 3.239 20 0 CGADHO COc1cccc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172102819 808174823 /nfs/dbraw/zinc/17/48/23/808174823.db2.gz PDOZUUSZWOFLSB-LLLHUVSDSA-N 1 3 288.435 3.361 20 0 CGADHO COc1cccc([C@H](C)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172102819 808174826 /nfs/dbraw/zinc/17/48/26/808174826.db2.gz PDOZUUSZWOFLSB-LLLHUVSDSA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106522 808176424 /nfs/dbraw/zinc/17/64/24/808176424.db2.gz PWYBHZFWSZDURN-YVSFHVDLSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106522 808176426 /nfs/dbraw/zinc/17/64/26/808176426.db2.gz PWYBHZFWSZDURN-YVSFHVDLSA-N 1 3 273.424 3.138 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3cnccc31)C2 ZINC001172110520 808178133 /nfs/dbraw/zinc/17/81/33/808178133.db2.gz OARBBTGSMLXFCI-XLMAVXFVSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3cnccc31)C2 ZINC001172110520 808178136 /nfs/dbraw/zinc/17/81/36/808178136.db2.gz OARBBTGSMLXFCI-XLMAVXFVSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3cccnc31)C2 ZINC001172109051 808179135 /nfs/dbraw/zinc/17/91/35/808179135.db2.gz GKJXRYAIJISJMO-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc3cccnc31)C2 ZINC001172109051 808179140 /nfs/dbraw/zinc/17/91/40/808179140.db2.gz GKJXRYAIJISJMO-BCDXTJNWSA-N 1 3 295.430 3.340 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C(F)(F)F)CC1)C2 ZINC001172120051 808184219 /nfs/dbraw/zinc/18/42/19/808184219.db2.gz JIEOSUCSYUQUQM-BTTYYORXSA-N 1 3 290.373 3.276 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C(F)(F)F)CC1)C2 ZINC001172120051 808184222 /nfs/dbraw/zinc/18/42/22/808184222.db2.gz JIEOSUCSYUQUQM-BTTYYORXSA-N 1 3 290.373 3.276 20 0 CGADHO C1C[C@H]2CC([NH2+]C3CCN(C4CCCCC4)CC3)C[C@@H]1O2 ZINC001172222945 808202106 /nfs/dbraw/zinc/20/21/06/808202106.db2.gz LIYLZDVFSDHZNX-ZNXRZULTSA-N 1 3 292.467 3.083 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001172321644 808230483 /nfs/dbraw/zinc/23/04/83/808230483.db2.gz MWRHCGCGLIIFOD-IRXDYDNUSA-N 1 3 284.488 3.292 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172320700 808230987 /nfs/dbraw/zinc/23/09/87/808230987.db2.gz ZNAGEJJRHSKKBT-ULQDDVLXSA-N 1 3 284.488 3.434 20 0 CGADHO CC(C)COCC[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC001172458444 808329119 /nfs/dbraw/zinc/32/91/19/808329119.db2.gz YYXNFXAZJLFOTQ-KRWDZBQOSA-N 1 3 284.488 3.149 20 0 CGADHO CC(C)COCC[C@@H](C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC001172464757 808334697 /nfs/dbraw/zinc/33/46/97/808334697.db2.gz ODUMILRDYLULBS-MRXNPFEDSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH+]1CCC(N)(CCOC)CC1 ZINC001173254706 808562011 /nfs/dbraw/zinc/56/20/11/808562011.db2.gz AJTLZKURBDQUQT-INIZCTEOSA-N 1 3 284.488 3.421 20 0 CGADHO CCSC[C@H](C)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001173290585 808591142 /nfs/dbraw/zinc/59/11/42/808591142.db2.gz DYQBAHYFQKJKES-KKUMJFAQSA-N 1 3 272.502 3.086 20 0 CGADHO COC(=O)CCCC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001173437036 808634516 /nfs/dbraw/zinc/63/45/16/808634516.db2.gz HVYXNJOWXGFSRX-OAHLLOKOSA-N 1 3 298.471 3.092 20 0 CGADHO COC(=O)CCCC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001173437036 808634518 /nfs/dbraw/zinc/63/45/18/808634518.db2.gz HVYXNJOWXGFSRX-OAHLLOKOSA-N 1 3 298.471 3.092 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H](C)CN ZINC001173553408 808646249 /nfs/dbraw/zinc/64/62/49/808646249.db2.gz YBNAYLNVICCMSC-WDEREUQCSA-N 1 3 289.250 3.499 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3cccc(F)c3Cl)C[C@H]2CC1 ZINC001275305686 808928402 /nfs/dbraw/zinc/92/84/02/808928402.db2.gz MKDWTQFXYAGJMI-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3cccc(F)c3Cl)C[C@H]2CC1 ZINC001275305686 808928407 /nfs/dbraw/zinc/92/84/07/808928407.db2.gz MKDWTQFXYAGJMI-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CCCC2(CCN(Cc3ccsc3)CC2)C1 ZINC001275865932 808972253 /nfs/dbraw/zinc/97/22/53/808972253.db2.gz JBKJBXPZSBTXKN-UHFFFAOYSA-N 1 3 264.438 3.056 20 0 CGADHO C[N@H+]1CCCC2(CCN(Cc3ccsc3)CC2)C1 ZINC001275865932 808972259 /nfs/dbraw/zinc/97/22/59/808972259.db2.gz JBKJBXPZSBTXKN-UHFFFAOYSA-N 1 3 264.438 3.056 20 0 CGADHO Cc1cccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c1F ZINC001276304751 809000595 /nfs/dbraw/zinc/00/05/95/809000595.db2.gz KFPNJOQZKGPQLG-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cccc(CN2CCC3(CCC[N@H+](C)C3)CC2)c1F ZINC001276304751 809000598 /nfs/dbraw/zinc/00/05/98/809000598.db2.gz KFPNJOQZKGPQLG-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ncccc1CN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276622592 809021604 /nfs/dbraw/zinc/02/16/04/809021604.db2.gz IETDGTKYJNYZLR-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCc1cccc(Cl)c1 ZINC001276745062 809028085 /nfs/dbraw/zinc/02/80/85/809028085.db2.gz MWLJHWXUZFOPRT-ALOPSCKCSA-N 1 3 292.854 3.487 20 0 CGADHO Cc1cc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)cnc1Cl ZINC001177821893 809825498 /nfs/dbraw/zinc/82/54/98/809825498.db2.gz FSFOWLHWHAUUFH-AWEZNQCLSA-N 1 3 297.874 3.499 20 0 CGADHO Cc1cc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)cnc1Cl ZINC001177821894 809825758 /nfs/dbraw/zinc/82/57/58/809825758.db2.gz FSFOWLHWHAUUFH-CQSZACIVSA-N 1 3 297.874 3.499 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001179816055 809948714 /nfs/dbraw/zinc/94/87/14/809948714.db2.gz KLPIROYSEBBIHM-XOKHGSTOSA-N 1 3 292.854 3.387 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+]CC(C)(C)CN(C)C ZINC001198960474 811553091 /nfs/dbraw/zinc/55/30/91/811553091.db2.gz WPRWWINGWQYDPO-UHFFFAOYSA-N 1 3 268.832 3.326 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1cccc3ccccc31)CC2 ZINC001203983617 812508979 /nfs/dbraw/zinc/50/89/79/812508979.db2.gz YUEQCGHRBAIXSF-UHFFFAOYSA-N 1 3 280.415 3.367 20 0 CGADHO CN(Cc1ccc(-c2ccc(C[NH+](C)C)cc2)nc1)C1CC1 ZINC001204625143 812694150 /nfs/dbraw/zinc/69/41/50/812694150.db2.gz BITLUVVDCFAZEV-UHFFFAOYSA-N 1 3 295.430 3.404 20 0 CGADHO Cc1c(C)c(C)c(CN2CCC([NH3+])CC2)c(C)c1C ZINC001204646018 812700542 /nfs/dbraw/zinc/70/05/42/812700542.db2.gz HCPJVNBEINIJLS-UHFFFAOYSA-N 1 3 260.425 3.152 20 0 CGADHO CC[C@H](N)C[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885421 812763517 /nfs/dbraw/zinc/76/35/17/812763517.db2.gz UWMFZNCQPONNJO-SFHVURJKSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@]1(N)CCC[N@H+](CCCCCc2ccccc2)C1 ZINC001204939820 812788074 /nfs/dbraw/zinc/78/80/74/812788074.db2.gz ULPWSTYUMJNTKB-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO C[C@]1(N)CCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001204939820 812788079 /nfs/dbraw/zinc/78/80/79/812788079.db2.gz ULPWSTYUMJNTKB-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO [NH3+][C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001205093938 812858916 /nfs/dbraw/zinc/85/89/16/812858916.db2.gz IEQNIULOYQPKFJ-AWEZNQCLSA-N 1 3 286.341 3.061 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@H](N)CC1 ZINC001205095585 812860764 /nfs/dbraw/zinc/86/07/64/812860764.db2.gz ZQTWIFDYWPMNNM-HOTGVXAUSA-N 1 3 284.488 3.421 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@H](N)CC1 ZINC001205095585 812860773 /nfs/dbraw/zinc/86/07/73/812860773.db2.gz ZQTWIFDYWPMNNM-HOTGVXAUSA-N 1 3 284.488 3.421 20 0 CGADHO Cc1csc(CN2CCC[C@](F)(C[NH3+])CC2)c1Cl ZINC001205545405 812999988 /nfs/dbraw/zinc/99/99/88/812999988.db2.gz GPWDESGPEAOEOM-CYBMUJFWSA-N 1 3 290.835 3.363 20 0 CGADHO C[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)CC[C@@H]1C[NH3+] ZINC001205601960 813018492 /nfs/dbraw/zinc/01/84/92/813018492.db2.gz HEROAGWYNRFSMC-GDBMZVCRSA-N 1 3 299.418 3.148 20 0 CGADHO C[C@@H]1CCN(Cc2ccsc2Cl)CC[C@H]1C[NH3+] ZINC001205638829 813038031 /nfs/dbraw/zinc/03/80/31/813038031.db2.gz SHYILGMECFXDQI-MNOVXSKESA-N 1 3 272.845 3.208 20 0 CGADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)nc1C ZINC001205654484 813045174 /nfs/dbraw/zinc/04/51/74/813045174.db2.gz WZZLPFSGEYTQGN-FZMZJTMJSA-N 1 3 295.858 3.159 20 0 CGADHO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1csc2ccccc12 ZINC001205901967 813124425 /nfs/dbraw/zinc/12/44/25/813124425.db2.gz GNFQWYOUSRNUEY-CHWSQXEVSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cc2ccccc2s1 ZINC001205903014 813125174 /nfs/dbraw/zinc/12/51/74/813125174.db2.gz MTIQCFLBBRIHMM-OCCSQVGLSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(C2CC2)cc1 ZINC001205912738 813129457 /nfs/dbraw/zinc/12/94/57/813129457.db2.gz BWMMFIFMWTVPBL-SUMWQHHRSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc(C2CC2)cc1 ZINC001205912737 813129652 /nfs/dbraw/zinc/12/96/52/813129652.db2.gz BWMMFIFMWTVPBL-GUYCJALGSA-N 1 3 258.409 3.123 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCOCc2ccccc2)C[C@H]1N ZINC001206036561 813175752 /nfs/dbraw/zinc/17/57/52/813175752.db2.gz LBLBLGUPQFWENN-SJLPKXTDSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@H]1N ZINC001206036561 813175756 /nfs/dbraw/zinc/17/57/56/813175756.db2.gz LBLBLGUPQFWENN-SJLPKXTDSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)nc1C ZINC001206036367 813176041 /nfs/dbraw/zinc/17/60/41/813176041.db2.gz IWXRUHQGOCQJLI-JSGCOSHPSA-N 1 3 295.858 3.159 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CNCC3)C[C@H]1C ZINC001206109547 813201476 /nfs/dbraw/zinc/20/14/76/813201476.db2.gz BJEPEELRKDCKLM-CHWSQXEVSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CNCC3)C[C@H]1C ZINC001206109547 813201480 /nfs/dbraw/zinc/20/14/80/813201480.db2.gz BJEPEELRKDCKLM-CHWSQXEVSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C[C@H]1C ZINC001206110458 813203495 /nfs/dbraw/zinc/20/34/95/813203495.db2.gz XYPGKEJIDAOFNU-QWHCGFSZSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C[C@H]1C ZINC001206110458 813203501 /nfs/dbraw/zinc/20/35/01/813203501.db2.gz XYPGKEJIDAOFNU-QWHCGFSZSA-N 1 3 278.465 3.262 20 0 CGADHO C[C@@H](CC(C)(C)C)[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001206168656 813223825 /nfs/dbraw/zinc/22/38/25/813223825.db2.gz WOAGPBDIWGNZJT-HJOIGYKYSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(F)cc2Cl)CC1 ZINC001206305106 813281506 /nfs/dbraw/zinc/28/15/06/813281506.db2.gz SZEAEYJIGSSPPG-OAHLLOKOSA-N 1 3 284.806 3.430 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(-n3cccc3)cc2)C1 ZINC001206563858 813354296 /nfs/dbraw/zinc/35/42/96/813354296.db2.gz IUZYICJCPBANPU-IBGZPJMESA-N 1 3 297.446 3.428 20 0 CGADHO C[C@@]1(CN)CCCC[N@H+](Cc2cccc3ccoc32)C1 ZINC001206574689 813359012 /nfs/dbraw/zinc/35/90/12/813359012.db2.gz UHEISRJEMZZGNM-KRWDZBQOSA-N 1 3 272.392 3.384 20 0 CGADHO C[C@@]1(CN)CCCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001206574689 813359019 /nfs/dbraw/zinc/35/90/19/813359019.db2.gz UHEISRJEMZZGNM-KRWDZBQOSA-N 1 3 272.392 3.384 20 0 CGADHO NC[C@H]1CCCC[N@H+](CCCCOCc2ccccc2)C1 ZINC001206607186 813372039 /nfs/dbraw/zinc/37/20/39/813372039.db2.gz XLRYOLFGXBHORC-GOSISDBHSA-N 1 3 290.451 3.044 20 0 CGADHO NC[C@H]1CCCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001206607186 813372042 /nfs/dbraw/zinc/37/20/42/813372042.db2.gz XLRYOLFGXBHORC-GOSISDBHSA-N 1 3 290.451 3.044 20 0 CGADHO CCCc1ccc(CN2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206616043 813375115 /nfs/dbraw/zinc/37/51/15/813375115.db2.gz LSVCCJDKQCJTJI-ZDUSSCGKSA-N 1 3 266.454 3.261 20 0 CGADHO [NH3+]C[C@H]1CCCCN(Cc2ccc3ccsc3c2)C1 ZINC001206633025 813381460 /nfs/dbraw/zinc/38/14/60/813381460.db2.gz RHEXJJGDOZEQTO-CQSZACIVSA-N 1 3 274.433 3.462 20 0 CGADHO NC[C@H]1CCCC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001206641271 813383951 /nfs/dbraw/zinc/38/39/51/813383951.db2.gz VNORUYGLTDUVGU-OAHLLOKOSA-N 1 3 268.404 3.352 20 0 CGADHO NC[C@H]1CCCC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001206641271 813383962 /nfs/dbraw/zinc/38/39/62/813383962.db2.gz VNORUYGLTDUVGU-OAHLLOKOSA-N 1 3 268.404 3.352 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206761058 813426323 /nfs/dbraw/zinc/42/63/23/813426323.db2.gz SIISTWDTUGEBMC-ARFHVFGLSA-N 1 3 252.446 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206761058 813426324 /nfs/dbraw/zinc/42/63/24/813426324.db2.gz SIISTWDTUGEBMC-ARFHVFGLSA-N 1 3 252.446 3.428 20 0 CGADHO C[NH+](C)CC(C)(C)CN1CCC(c2cccc(O)c2)CC1 ZINC001207288241 813535675 /nfs/dbraw/zinc/53/56/75/813535675.db2.gz LAEBMXYDZTZZRM-UHFFFAOYSA-N 1 3 290.451 3.159 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](CCCCc3ccccc3)C[C@@H]2C1 ZINC001207614901 813614496 /nfs/dbraw/zinc/61/44/96/813614496.db2.gz JAHHYLKPEDFEIS-KDURUIRLSA-N 1 3 286.463 3.283 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](CCCCc3ccccc3)C[C@@H]2C1 ZINC001207614901 813614503 /nfs/dbraw/zinc/61/45/03/813614503.db2.gz JAHHYLKPEDFEIS-KDURUIRLSA-N 1 3 286.463 3.283 20 0 CGADHO CCC[N@H+]1C[C@H]2CN(CCCCc3ccccc3)C[C@H]2C1 ZINC001207614901 813614508 /nfs/dbraw/zinc/61/45/08/813614508.db2.gz JAHHYLKPEDFEIS-KDURUIRLSA-N 1 3 286.463 3.283 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN(CCCCc3ccccc3)C[C@H]2C1 ZINC001207614901 813614516 /nfs/dbraw/zinc/61/45/16/813614516.db2.gz JAHHYLKPEDFEIS-KDURUIRLSA-N 1 3 286.463 3.283 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC001207861659 813663594 /nfs/dbraw/zinc/66/35/94/813663594.db2.gz DABGNYXPBHUZOX-HZPDHXFCSA-N 1 3 277.456 3.113 20 0 CGADHO CS[C@@H](C)CC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001208140219 813705407 /nfs/dbraw/zinc/70/54/07/813705407.db2.gz DVEKGPGUPUYDFT-HOTGVXAUSA-N 1 3 284.513 3.468 20 0 CGADHO CS[C@@H](C)CC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001208140219 813705411 /nfs/dbraw/zinc/70/54/11/813705411.db2.gz DVEKGPGUPUYDFT-HOTGVXAUSA-N 1 3 284.513 3.468 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606945 813774261 /nfs/dbraw/zinc/77/42/61/813774261.db2.gz JNLAGBAQLQUTEA-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO C[N@H+]1CCC[C@@H](CN2CCC[C@H]2c2cccc(F)c2)C1 ZINC001208606945 813774263 /nfs/dbraw/zinc/77/42/63/813774263.db2.gz JNLAGBAQLQUTEA-PBHICJAKSA-N 1 3 276.399 3.304 20 0 CGADHO C[C@@H](CCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1)CC(C)(C)C ZINC001208662675 813784163 /nfs/dbraw/zinc/78/41/63/813784163.db2.gz CWHAVMSTCVSVAC-ZMSDIMECSA-N 1 3 266.473 3.332 20 0 CGADHO COC(C)(C)CC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209407609 814015570 /nfs/dbraw/zinc/01/55/70/814015570.db2.gz MAFHMUUPBLEXKW-INIZCTEOSA-N 1 3 282.472 3.142 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209407609 814015564 /nfs/dbraw/zinc/01/55/64/814015564.db2.gz MAFHMUUPBLEXKW-INIZCTEOSA-N 1 3 282.472 3.142 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209409037 814015835 /nfs/dbraw/zinc/01/58/35/814015835.db2.gz OLHAUMSPVUWYGF-HOTGVXAUSA-N 1 3 282.472 3.140 20 0 CGADHO COC(C)(C)CC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209409037 814015841 /nfs/dbraw/zinc/01/58/41/814015841.db2.gz OLHAUMSPVUWYGF-HOTGVXAUSA-N 1 3 282.472 3.140 20 0 CGADHO COc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1CN(C)C ZINC001242676737 823096156 /nfs/dbraw/zinc/09/61/56/823096156.db2.gz SKGJLGDXYQKYSJ-UHFFFAOYSA-N 1 3 282.387 3.027 20 0 CGADHO Nc1cc[nH+]cc1CN(Cc1ccccn1)C1CCCCC1 ZINC001209736120 814124363 /nfs/dbraw/zinc/12/43/63/814124363.db2.gz DCGUCONVLVYXKZ-UHFFFAOYSA-N 1 3 296.418 3.224 20 0 CGADHO Clc1cccc(Cl)c1CCN1CCC2(C[NH2+]C2)CC1 ZINC001222203769 816375220 /nfs/dbraw/zinc/37/52/20/816375220.db2.gz NKXKWNMLTCZWGA-UHFFFAOYSA-N 1 3 299.245 3.221 20 0 CGADHO COc1ccc(CN2CCC[C@]23CCC[NH2+]CC3)cc1C ZINC001222310359 816404901 /nfs/dbraw/zinc/40/49/01/816404901.db2.gz UGXRHCBHOXHOLD-SFHVURJKSA-N 1 3 288.435 3.112 20 0 CGADHO COc1cc(CN2CCC[C@]23CCC[NH2+]CC3)ccc1C ZINC001222315275 816406307 /nfs/dbraw/zinc/40/63/07/816406307.db2.gz MDVKSOIGEPYNBF-SFHVURJKSA-N 1 3 288.435 3.112 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001222537824 816463653 /nfs/dbraw/zinc/46/36/53/816463653.db2.gz GPYCVFAEODCIIW-UHFFFAOYSA-N 1 3 295.789 3.084 20 0 CGADHO CCC[N@H+](CCc1ccccn1)Cc1cc2cnccc2[nH]1 ZINC001232015098 818233226 /nfs/dbraw/zinc/23/32/26/818233226.db2.gz ATSAGAIKUGAEQI-UHFFFAOYSA-N 1 3 294.402 3.413 20 0 CGADHO CCC[N@@H+](CCc1ccccn1)Cc1cc2cnccc2[nH]1 ZINC001232015098 818233230 /nfs/dbraw/zinc/23/32/30/818233230.db2.gz ATSAGAIKUGAEQI-UHFFFAOYSA-N 1 3 294.402 3.413 20 0 CGADHO CN(C)Cc1cc(F)cc(C[NH+]2CCC3(CC3)CC2)c1 ZINC001232145104 818264159 /nfs/dbraw/zinc/26/41/59/818264159.db2.gz VJFMUYRMHUFKPF-UHFFFAOYSA-N 1 3 276.399 3.263 20 0 CGADHO Clc1ccc(CCN2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235036966 818986223 /nfs/dbraw/zinc/98/62/23/818986223.db2.gz AMSTWDBMLYPVSZ-QGZVFWFLSA-N 1 3 292.854 3.491 20 0 CGADHO Cc1ccc2[nH]cc(CN3CCC4(CC[NH2+]CC4)CC3)c2c1 ZINC001235135757 819014585 /nfs/dbraw/zinc/01/45/85/819014585.db2.gz PXIMLDMDXATVIC-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO c1ccc2c(c1)CC(C[N@@H+]1CCCCC13CCNCC3)C2 ZINC001235189871 819030566 /nfs/dbraw/zinc/03/05/66/819030566.db2.gz GECIEXCLLJPJCL-UHFFFAOYSA-N 1 3 284.447 3.010 20 0 CGADHO c1ccc2c(c1)CC(C[N@H+]1CCCCC13CCNCC3)C2 ZINC001235189871 819030573 /nfs/dbraw/zinc/03/05/73/819030573.db2.gz GECIEXCLLJPJCL-UHFFFAOYSA-N 1 3 284.447 3.010 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@H+](CCC2CC2)CC3)cc1 ZINC001235365275 819079855 /nfs/dbraw/zinc/07/98/55/819079855.db2.gz NLFXUVDTFJZOLW-RBUKOAKNSA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@@H+](CCC2CC2)CC3)cc1 ZINC001235365275 819079861 /nfs/dbraw/zinc/07/98/61/819079861.db2.gz NLFXUVDTFJZOLW-RBUKOAKNSA-N 1 3 284.447 3.040 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235401724 819086314 /nfs/dbraw/zinc/08/63/14/819086314.db2.gz HJDDOOSWYXXQNV-QAETUUGQSA-N 1 3 280.431 3.002 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235401724 819086319 /nfs/dbraw/zinc/08/63/19/819086319.db2.gz HJDDOOSWYXXQNV-QAETUUGQSA-N 1 3 280.431 3.002 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235407483 819088369 /nfs/dbraw/zinc/08/83/69/819088369.db2.gz SMTCHYMUOGQDOG-BBWFWOEESA-N 1 3 282.447 3.392 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235407483 819088377 /nfs/dbraw/zinc/08/83/77/819088377.db2.gz SMTCHYMUOGQDOG-BBWFWOEESA-N 1 3 282.447 3.392 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1CCCc1ccccc1Cl ZINC001235925756 819225134 /nfs/dbraw/zinc/22/51/34/819225134.db2.gz ZNWNEQBQUXRYST-AWEZNQCLSA-N 1 3 266.816 3.086 20 0 CGADHO Cc1ccc(-c2ccc(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)o1 ZINC001235937495 819232930 /nfs/dbraw/zinc/23/29/30/819232930.db2.gz IFIZVNZQENBHBX-ROUUACIJSA-N 1 3 296.414 3.296 20 0 CGADHO c1ccc([C@@H]2CCN2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235950063 819240609 /nfs/dbraw/zinc/24/06/09/819240609.db2.gz ZLDJGLSLFLZTMS-IBGZPJMESA-N 1 3 278.399 3.279 20 0 CGADHO CCN(Cc1cccc(F)c1)Cc1cccc(C[NH3+])c1 ZINC001236042597 819280751 /nfs/dbraw/zinc/28/07/51/819280751.db2.gz QCLYKCDYPWENAT-UHFFFAOYSA-N 1 3 272.367 3.307 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045052 819282453 /nfs/dbraw/zinc/28/24/53/819282453.db2.gz RVUGKJUXEXYZKO-SHPPOPEUSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001236045052 819282458 /nfs/dbraw/zinc/28/24/58/819282458.db2.gz RVUGKJUXEXYZKO-SHPPOPEUSA-N 1 3 278.827 3.113 20 0 CGADHO Clc1cccc2c1CN(CC[C@H]1CCC[NH2+]C1)CC2 ZINC001236078694 819304773 /nfs/dbraw/zinc/30/47/73/819304773.db2.gz LHGCNBCYDRJSNB-CYBMUJFWSA-N 1 3 278.827 3.088 20 0 CGADHO C[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@@H]1N ZINC001236211817 819374010 /nfs/dbraw/zinc/37/40/10/819374010.db2.gz JJUYABBKCTZWLU-GOEBONIOSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[C@@H]1N ZINC001236211817 819374017 /nfs/dbraw/zinc/37/40/17/819374017.db2.gz JJUYABBKCTZWLU-GOEBONIOSA-N 1 3 275.371 3.009 20 0 CGADHO CC(C)=CCC[C@@H](C)CC[NH+]1CCCNCCC1 ZINC001236238751 819397712 /nfs/dbraw/zinc/39/77/12/819397712.db2.gz ABUFVAUNUICGLC-MRXNPFEDSA-N 1 3 252.446 3.444 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2CCC[C@@H]2C[NH3+])cc1 ZINC001236244266 819402863 /nfs/dbraw/zinc/40/28/63/819402863.db2.gz JLFBEGFEQZVJLE-CRAIPNDOSA-N 1 3 274.452 3.412 20 0 CGADHO Cc1ccc(Cl)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236316331 819421690 /nfs/dbraw/zinc/42/16/90/819421690.db2.gz QZUXKVSCQHKSRI-BETUJISGSA-N 1 3 296.817 3.219 20 0 CGADHO CCN(Cc1cccc2c1ccn2CC)C[C@@H]1CC[NH2+]C1 ZINC001236409439 819456092 /nfs/dbraw/zinc/45/60/92/819456092.db2.gz UVKWFVAYNUBRFX-OAHLLOKOSA-N 1 3 285.435 3.093 20 0 CGADHO CC[C@H](C)C[N@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236441849 819480702 /nfs/dbraw/zinc/48/07/02/819480702.db2.gz WBGLQOXYPWFOIK-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@H](C)C[N@@H+](Cc1ccc(OC)cc1)C1CCNCC1 ZINC001236441849 819480704 /nfs/dbraw/zinc/48/07/04/819480704.db2.gz WBGLQOXYPWFOIK-HNNXBMFYSA-N 1 3 290.451 3.295 20 0 CGADHO COc1cccc(C[N@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236457477 819486150 /nfs/dbraw/zinc/48/61/50/819486150.db2.gz LLBSOJBSMUHHRH-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO COc1cccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)c1 ZINC001236457477 819486153 /nfs/dbraw/zinc/48/61/53/819486153.db2.gz LLBSOJBSMUHHRH-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO COc1cccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457477 819486157 /nfs/dbraw/zinc/48/61/57/819486157.db2.gz LLBSOJBSMUHHRH-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1c(O)cccc1C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236458562 819486585 /nfs/dbraw/zinc/48/65/85/819486585.db2.gz WZNRLFUCOWVJCT-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO Cc1c(O)cccc1C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236458562 819486591 /nfs/dbraw/zinc/48/65/91/819486591.db2.gz WZNRLFUCOWVJCT-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO CCn1ccc2c1cccc2CN1CCC[C@](C)(C[NH3+])C1 ZINC001237057401 819656677 /nfs/dbraw/zinc/65/66/77/819656677.db2.gz MCULZENFKPSREK-GOSISDBHSA-N 1 3 285.435 3.222 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@](C)(CN)C2)cc1 ZINC001237060337 819657221 /nfs/dbraw/zinc/65/72/21/819657221.db2.gz ZYDPHBFDFAJIKT-GOSISDBHSA-N 1 3 274.452 3.413 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@](C)(CN)C2)cc1 ZINC001237060337 819657219 /nfs/dbraw/zinc/65/72/19/819657219.db2.gz ZYDPHBFDFAJIKT-GOSISDBHSA-N 1 3 274.452 3.413 20 0 CGADHO C[C@H]1CC[C@H]([N@H+](C)Cc2cc3c(s2)CCNC3)CC1 ZINC001237186956 819690797 /nfs/dbraw/zinc/69/07/97/819690797.db2.gz AGKTVPFBCSLLFT-MQMHXKEQSA-N 1 3 278.465 3.404 20 0 CGADHO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc3c(s2)CCNC3)CC1 ZINC001237186956 819690802 /nfs/dbraw/zinc/69/08/02/819690802.db2.gz AGKTVPFBCSLLFT-MQMHXKEQSA-N 1 3 278.465 3.404 20 0 CGADHO Cc1ccnc2cccc(C[N@H+](C)CCCN3CCCC3)c12 ZINC001237634173 819793358 /nfs/dbraw/zinc/79/33/58/819793358.db2.gz UFGOFHGUGSOZTQ-UHFFFAOYSA-N 1 3 297.446 3.461 20 0 CGADHO Cc1ccnc2cccc(C[N@@H+](C)CCCN3CCCC3)c12 ZINC001237634173 819793361 /nfs/dbraw/zinc/79/33/61/819793361.db2.gz UFGOFHGUGSOZTQ-UHFFFAOYSA-N 1 3 297.446 3.461 20 0 CGADHO CN(C)Cc1cncc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240057925 820805794 /nfs/dbraw/zinc/80/57/94/820805794.db2.gz CLCZDMBEQMFSMY-UHFFFAOYSA-N 1 3 295.430 3.406 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC001343904702 936518004 /nfs/dbraw/zinc/51/80/04/936518004.db2.gz GRBQMWUIOVGCIG-ZFWWWQNUSA-N 1 3 264.413 3.279 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(F)cc1 ZINC000399002610 926753179 /nfs/dbraw/zinc/75/31/79/926753179.db2.gz DREDYKAFTUXFIG-KCXAZCMYSA-N 1 3 264.388 3.253 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cccc(F)c3F)C[C@@H]2C1 ZINC001355372755 937138550 /nfs/dbraw/zinc/13/85/50/937138550.db2.gz FUPUARFCTFRIOD-AEGPPILISA-N 1 3 294.389 3.127 20 0 CGADHO C[N@@H+]1C[C@@H]2CN([C@@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862772 937549955 /nfs/dbraw/zinc/54/99/55/937549955.db2.gz IKLWUDOCEZVFKF-JLZZUVOBSA-N 1 3 290.838 3.211 20 0 CGADHO C[N@H+]1C[C@@H]2CN([C@@H]3CCc4c3cccc4Cl)C[C@]2(C)C1 ZINC001460862772 937549956 /nfs/dbraw/zinc/54/99/56/937549956.db2.gz IKLWUDOCEZVFKF-JLZZUVOBSA-N 1 3 290.838 3.211 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC001461257342 937572999 /nfs/dbraw/zinc/57/29/99/937572999.db2.gz PIHDKNWBICMYQX-FKQXODTLSA-N 1 3 276.399 3.301 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC001461365874 937578065 /nfs/dbraw/zinc/57/80/65/937578065.db2.gz SYNPVZRYBQXDSG-ARFHVFGLSA-N 1 3 252.446 3.133 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)[C@@H]2C1 ZINC001461826093 937599912 /nfs/dbraw/zinc/59/99/12/937599912.db2.gz CXHXFGDHBBQRMM-QTUASDBPSA-N 1 3 299.462 3.038 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)CC1 ZINC001462582082 937651741 /nfs/dbraw/zinc/65/17/41/937651741.db2.gz CKIFBYFBMYIYEY-ATLSCFEFSA-N 1 3 278.484 3.379 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)[C@H]2C1 ZINC001308554608 933132032 /nfs/dbraw/zinc/13/20/32/933132032.db2.gz QBYFWOIVAOUASE-HRCADAONSA-N 1 3 264.457 3.133 20 0 CGADHO Cc1ccc(CCN2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC001308690081 933159087 /nfs/dbraw/zinc/15/90/87/933159087.db2.gz ZXHHGIQUYYRHID-SFHVURJKSA-N 1 3 274.452 3.262 20 0 CGADHO Cc1ccc(CC[N@H+]2CCC[C@H](N(C)C)CC2)cc1C ZINC001308690081 933159089 /nfs/dbraw/zinc/15/90/89/933159089.db2.gz ZXHHGIQUYYRHID-SFHVURJKSA-N 1 3 274.452 3.262 20 0 CGADHO Cc1ccc(CC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1C ZINC001308690081 933159091 /nfs/dbraw/zinc/15/90/91/933159091.db2.gz ZXHHGIQUYYRHID-SFHVURJKSA-N 1 3 274.452 3.262 20 0 CGADHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)C[C@@H](C)C(C)(C)C ZINC001308741724 933168254 /nfs/dbraw/zinc/16/82/54/933168254.db2.gz XBDHAQAGWKFNCU-SJORKVTESA-N 1 3 297.531 3.017 20 0 CGADHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)C[C@@H](C)C(C)(C)C ZINC001308741724 933168257 /nfs/dbraw/zinc/16/82/57/933168257.db2.gz XBDHAQAGWKFNCU-SJORKVTESA-N 1 3 297.531 3.017 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H](C)N(C)C ZINC001308881968 933196554 /nfs/dbraw/zinc/19/65/54/933196554.db2.gz BHCTYSATPKRVJC-WBVHZDCISA-N 1 3 262.441 3.246 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC001319190502 933839709 /nfs/dbraw/zinc/83/97/09/933839709.db2.gz QHLUEQCBTWKGAE-FZMZJTMJSA-N 1 3 281.469 3.142 20 0 CGADHO Cc1cnc2ccccc2c1N1CC[NH+](CC2CC2)CC1 ZINC001322237256 934263375 /nfs/dbraw/zinc/26/33/75/934263375.db2.gz TYKLFGLQDRRQQO-UHFFFAOYSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1cnc2ccccc2c1N(C)CC1CC[NH+](C)CC1 ZINC001323871620 934435277 /nfs/dbraw/zinc/43/52/77/934435277.db2.gz CPFGDWJTRAUGCR-UHFFFAOYSA-N 1 3 283.419 3.321 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001325742062 934926128 /nfs/dbraw/zinc/92/61/28/934926128.db2.gz AMASQCUMDSMPNI-RYUDHWBXSA-N 1 3 288.357 3.224 20 0 CGADHO Cc1ccc(NC(=[NH2+])NCC2(N(C)C)CCCCC2)cc1 ZINC001327251072 935048310 /nfs/dbraw/zinc/04/83/10/935048310.db2.gz MCJHRDCPARZWCZ-UHFFFAOYSA-N 1 3 288.439 3.196 20 0 CGADHO C[C@H]([NH2+]CC1CC(C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC001334765987 936111993 /nfs/dbraw/zinc/11/19/93/936111993.db2.gz FJGVIUDGLWBRAO-BHDPWAOGSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H]([NH2+]CC1CC(C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC001334765988 936112030 /nfs/dbraw/zinc/11/20/30/936112030.db2.gz FJGVIUDGLWBRAO-GRAKBVBRSA-N 1 3 264.457 3.275 20 0 CGADHO CO[C@H](C[NH2+]C[C@H](N)CCC(C)(C)C)c1ccc(F)cc1 ZINC001337838341 936293428 /nfs/dbraw/zinc/29/34/28/936293428.db2.gz NWFQXRSNXXVBEX-HZPDHXFCSA-N 1 3 296.430 3.256 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001473964864 937832937 /nfs/dbraw/zinc/83/29/37/937832937.db2.gz OWPCISCNPJBMME-CQSZACIVSA-N 1 3 266.454 3.186 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001474302060 937849749 /nfs/dbraw/zinc/84/97/49/937849749.db2.gz RWKYEXBFGRTYNE-SSNHOHEISA-N 1 3 264.457 3.275 20 0 CGADHO CC[C@@](C)(CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339265 937852415 /nfs/dbraw/zinc/85/24/15/937852415.db2.gz HDDGLRDLKPVJTN-MSOLQXFVSA-N 1 3 296.499 3.245 20 0 CGADHO Cc1occc1C[N@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC001474647323 937872612 /nfs/dbraw/zinc/87/26/12/937872612.db2.gz NEDGNFOJQQITRR-CZUORRHYSA-N 1 3 264.413 3.140 20 0 CGADHO Cc1occc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC001474647323 937872614 /nfs/dbraw/zinc/87/26/14/937872614.db2.gz NEDGNFOJQQITRR-CZUORRHYSA-N 1 3 264.413 3.140 20 0 CGADHO C[C@H]1C[NH2+]C[C@H]1CN1CCC(c2cccc3[nH]ccc32)CC1 ZINC001550352812 938166157 /nfs/dbraw/zinc/16/61/57/938166157.db2.gz GETWVKARASSKJT-HOCLYGCPSA-N 1 3 297.446 3.203 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(C/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542900 938167435 /nfs/dbraw/zinc/16/74/35/938167435.db2.gz AIYMNXZQYRGAHB-REUDQUMMSA-N 1 3 290.838 3.237 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(C/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC001550542900 938167436 /nfs/dbraw/zinc/16/74/36/938167436.db2.gz AIYMNXZQYRGAHB-REUDQUMMSA-N 1 3 290.838 3.237 20 0 CGADHO c1coc([C@@H]2C[C@@H]2C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC001551377579 938180473 /nfs/dbraw/zinc/18/04/73/938180473.db2.gz GEJDAALFGJGYGI-VQHPVUNQSA-N 1 3 288.435 3.141 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)CC[C@H]1N ZINC001552411997 938192006 /nfs/dbraw/zinc/19/20/06/938192006.db2.gz AMQJNEAXGOQMKL-XYVMCAHJSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)CC[C@H]1N ZINC001552411997 938192007 /nfs/dbraw/zinc/19/20/07/938192007.db2.gz AMQJNEAXGOQMKL-XYVMCAHJSA-N 1 3 272.436 3.239 20 0 CGADHO CN(C)C1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001560073118 938243032 /nfs/dbraw/zinc/24/30/32/938243032.db2.gz DCCAGEZOOOMMHF-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CCC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155681 938245475 /nfs/dbraw/zinc/24/54/75/938245475.db2.gz RPPDLLAABOZZLU-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)CCC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001560155681 938245476 /nfs/dbraw/zinc/24/54/76/938245476.db2.gz RPPDLLAABOZZLU-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)CCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155681 938245477 /nfs/dbraw/zinc/24/54/77/938245477.db2.gz RPPDLLAABOZZLU-OAHLLOKOSA-N 1 3 261.413 3.028 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC(C)(C)C1 ZINC001560621833 938266008 /nfs/dbraw/zinc/26/60/08/938266008.db2.gz BLGDNMCXFSJJQD-XFIYOXNOSA-N 1 3 264.457 3.131 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC001560623439 938266315 /nfs/dbraw/zinc/26/63/15/938266315.db2.gz XIHQTTHLELNVNO-RYQLBKOJSA-N 1 3 286.463 3.414 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC3(CCC3)CC2)C1 ZINC001560809773 938277261 /nfs/dbraw/zinc/27/72/61/938277261.db2.gz XZMFECJNHYAXRG-HNNXBMFYSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001561053569 938292352 /nfs/dbraw/zinc/29/23/52/938292352.db2.gz XFCUFCURQBZHOO-RFBLXINOSA-N 1 3 252.446 3.131 20 0 CGADHO NC[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)C1CCCC1 ZINC001580228915 960486678 /nfs/dbraw/zinc/48/66/78/960486678.db2.gz GOUAFPKTZMZYQO-LLVKDONJSA-N 1 3 292.370 3.374 20 0 CGADHO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cccn2C2CC2)C1 ZINC001575115242 962342824 /nfs/dbraw/zinc/34/28/24/962342824.db2.gz CSGUGQIYQXYHTP-QGZVFWFLSA-N 1 3 275.440 3.020 20 0 CGADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC001575423101 962381577 /nfs/dbraw/zinc/38/15/77/962381577.db2.gz PKBKMZRGYHXCEA-JKSUJKDBSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001575423101 962381598 /nfs/dbraw/zinc/38/15/98/962381598.db2.gz PKBKMZRGYHXCEA-JKSUJKDBSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H](CCN)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC001575962116 962428212 /nfs/dbraw/zinc/42/82/12/962428212.db2.gz MDBZISCOYCMVPM-HNNXBMFYSA-N 1 3 268.404 3.145 20 0 CGADHO C[C@H]1CCN(Cc2cc3c(cccc3O)s2)C[C@@H]1C[NH3+] ZINC001576731209 962488314 /nfs/dbraw/zinc/48/83/14/962488314.db2.gz GMKDOSOAKFYMKK-RYUDHWBXSA-N 1 3 290.432 3.024 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001576850874 962493901 /nfs/dbraw/zinc/49/39/01/962493901.db2.gz WXPXEMUAMYALBW-XOYOTBSWSA-N 1 3 272.436 3.300 20 0 CGADHO CCOc1cccc(CNCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC001578191815 962577036 /nfs/dbraw/zinc/57/70/36/962577036.db2.gz HPWJSHSPQDJRRI-GOSISDBHSA-N 1 3 298.430 3.135 20 0 CGADHO COc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc2ccccc21 ZINC001579150390 962610528 /nfs/dbraw/zinc/61/05/28/962610528.db2.gz JBFMBFOEBVJVAC-CJNGLKHVSA-N 1 3 284.403 3.018 20 0 CGADHO Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H](C)N)cc2)c1 ZINC001579576680 962636539 /nfs/dbraw/zinc/63/65/39/962636539.db2.gz HHGKUXOQROZBLY-OAHLLOKOSA-N 1 3 268.404 3.407 20 0 CGADHO Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCCCN2)c1 ZINC001579759815 962668829 /nfs/dbraw/zinc/66/88/29/962668829.db2.gz YQDUFGWSGGSAHN-RDJZCZTQSA-N 1 3 260.425 3.048 20 0 CGADHO Cc1ccccc1OCCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC001579804872 962679132 /nfs/dbraw/zinc/67/91/32/962679132.db2.gz PMIKBWUAGGLNKB-IKGGRYGDSA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC001579804872 962679142 /nfs/dbraw/zinc/67/91/42/962679142.db2.gz PMIKBWUAGGLNKB-IKGGRYGDSA-N 1 3 290.451 3.069 20 0 CGADHO Cc1ccccc1OCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC001579804872 962679153 /nfs/dbraw/zinc/67/91/53/962679153.db2.gz PMIKBWUAGGLNKB-IKGGRYGDSA-N 1 3 290.451 3.069 20 0 CGADHO C[NH+](C)CCCCNCc1c(Cl)cccc1Cl ZINC000045598382 282083948 /nfs/dbraw/zinc/08/39/48/282083948.db2.gz JQRZZAIESJCCDC-UHFFFAOYSA-N 1 3 275.223 3.425 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000651731779 398278167 /nfs/dbraw/zinc/27/81/67/398278167.db2.gz YILHEPHMUCDEGN-MRXNPFEDSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000253109173 290637489 /nfs/dbraw/zinc/63/74/89/290637489.db2.gz CPGWYUSEMBASOS-SHTZXODSSA-N 1 3 273.424 3.219 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)[C@H]1CCOC1)C1CCCCC1 ZINC000651910493 398304907 /nfs/dbraw/zinc/30/49/07/398304907.db2.gz VXUHXWMGFLZULI-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)[C@H]1CCOC1)C1CCCCC1 ZINC000651910493 398304909 /nfs/dbraw/zinc/30/49/09/398304909.db2.gz VXUHXWMGFLZULI-HOTGVXAUSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@H+](CCCN[C@@H](C)[C@@H]1CCCOC1)C1CCCCC1 ZINC000651910575 398305650 /nfs/dbraw/zinc/30/56/50/398305650.db2.gz ZNQXOFAWDLULFD-DLBZAZTESA-N 1 3 296.499 3.436 20 0 CGADHO CC[N@@H+](CCCN[C@@H](C)[C@@H]1CCCOC1)C1CCCCC1 ZINC000651910575 398305652 /nfs/dbraw/zinc/30/56/52/398305652.db2.gz ZNQXOFAWDLULFD-DLBZAZTESA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@@H](C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)OC ZINC000449404776 529416152 /nfs/dbraw/zinc/41/61/52/529416152.db2.gz WCGQUCJXBHOLAR-QAPCUYQASA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@@H](C)[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449404776 529416154 /nfs/dbraw/zinc/41/61/54/529416154.db2.gz WCGQUCJXBHOLAR-QAPCUYQASA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423464431 529453622 /nfs/dbraw/zinc/45/36/22/529453622.db2.gz LZHDPOAQNDSJTN-AEGPPILISA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@@H](F)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000440792858 529550447 /nfs/dbraw/zinc/55/04/47/529550447.db2.gz AZGVJKDBABPUIT-MRXNPFEDSA-N 1 3 293.430 3.368 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000423481536 529568678 /nfs/dbraw/zinc/56/86/78/529568678.db2.gz WUHISETUTYTYMC-KGLIPLIRSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000423460537 529569279 /nfs/dbraw/zinc/56/92/79/529569279.db2.gz IZYFXGHQLVLCEV-DGCLKSJQSA-N 1 3 272.339 3.066 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1C[C@@H]1C ZINC000414060497 529628679 /nfs/dbraw/zinc/62/86/79/529628679.db2.gz ATLWJIUIDCOKGT-WBAXXEDZSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000423368113 529670957 /nfs/dbraw/zinc/67/09/57/529670957.db2.gz CZBRHQQIEWKSJM-DZKIICNBSA-N 1 3 276.424 3.314 20 0 CGADHO CCCCN1CCCC[C@@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623404252 349799984 /nfs/dbraw/zinc/79/99/84/349799984.db2.gz VPVOOZVMMSYPNB-DLBZAZTESA-N 1 3 295.515 3.103 20 0 CGADHO CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623404253 349799609 /nfs/dbraw/zinc/79/96/09/349799609.db2.gz VPVOOZVMMSYPNB-IAGOWNOFSA-N 1 3 295.515 3.103 20 0 CGADHO CC[C@@H](CC(F)(F)F)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492881 349820299 /nfs/dbraw/zinc/82/02/99/349820299.db2.gz MYIUIKZZGDXLHX-QWRGUYRKSA-N 1 3 266.351 3.180 20 0 CGADHO CC[C@@H](CC(F)(F)F)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623492881 349820304 /nfs/dbraw/zinc/82/03/04/349820304.db2.gz MYIUIKZZGDXLHX-QWRGUYRKSA-N 1 3 266.351 3.180 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1Cl ZINC000623657709 349859516 /nfs/dbraw/zinc/85/95/16/349859516.db2.gz XBKZEOWHVCLFNA-OAHLLOKOSA-N 1 3 280.843 3.470 20 0 CGADHO CN1CCCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000623657582 349859585 /nfs/dbraw/zinc/85/95/85/349859585.db2.gz VAPDRHHLFXFQRE-MRXNPFEDSA-N 1 3 283.419 3.056 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000423279964 529985936 /nfs/dbraw/zinc/98/59/36/529985936.db2.gz TVLSVYHKJGIEFX-APWZRJJASA-N 1 3 282.431 3.416 20 0 CGADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(F)cc3F)C2)CC1 ZINC000367681888 530050977 /nfs/dbraw/zinc/05/09/77/530050977.db2.gz DLJYKENUBPCBLY-CQSZACIVSA-N 1 3 294.389 3.129 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@@H](NCCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423489408 282965109 /nfs/dbraw/zinc/96/51/09/282965109.db2.gz WLKATHFTHZLQSK-AAEUAGOBSA-N 1 3 298.352 3.213 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040622749 344963990 /nfs/dbraw/zinc/96/39/90/344963990.db2.gz GTZWTEYGDCLFRK-NXVRBGIVSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000040622749 344963992 /nfs/dbraw/zinc/96/39/92/344963992.db2.gz GTZWTEYGDCLFRK-NXVRBGIVSA-N 1 3 290.426 3.392 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNC2CC(c3cccc(F)c3)C2)C1 ZINC000040622749 344963993 /nfs/dbraw/zinc/96/39/93/344963993.db2.gz GTZWTEYGDCLFRK-NXVRBGIVSA-N 1 3 290.426 3.392 20 0 CGADHO CC[NH+]1CCC(CNCc2c(F)cccc2Cl)CC1 ZINC000044517516 345012370 /nfs/dbraw/zinc/01/23/70/345012370.db2.gz BZZOYZXTJGDUTC-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000047978563 345058049 /nfs/dbraw/zinc/05/80/49/345058049.db2.gz KIWFUVKTVAXAJJ-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1CCC(CC[NH3+])CC1 ZINC000070183461 345388343 /nfs/dbraw/zinc/38/83/43/345388343.db2.gz HHXWIMVZQKZFFQ-GFCCVEGCSA-N 1 3 266.816 3.462 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1cccnc1 ZINC000091288459 345809651 /nfs/dbraw/zinc/80/96/51/345809651.db2.gz JJKVFGOFYWQOEW-WMZOPIPTSA-N 1 3 289.467 3.490 20 0 CGADHO C[C@H](NCC1CC[NH2+]CC1)c1ccccc1Br ZINC000094009765 345893969 /nfs/dbraw/zinc/89/39/69/345893969.db2.gz QQGKQDVSZMCLHY-NSHDSACASA-N 1 3 297.240 3.099 20 0 CGADHO COC[C@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000174017201 232293630 /nfs/dbraw/zinc/29/36/30/232293630.db2.gz BZICDHDMMLORFI-INIZCTEOSA-N 1 3 290.451 3.187 20 0 CGADHO Cc1cccc(CCNC2CC[NH+](CC3CC3)CC2)c1 ZINC000130702791 346059879 /nfs/dbraw/zinc/05/98/79/346059879.db2.gz FDHQQUUOFYAPFD-UHFFFAOYSA-N 1 3 272.436 3.002 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC(C2CC2)C2CC2)c2ccccc21 ZINC000132154785 346070286 /nfs/dbraw/zinc/07/02/86/346070286.db2.gz PEVDWEKQMSDXHZ-DLBZAZTESA-N 1 3 256.393 3.157 20 0 CGADHO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243337 346090153 /nfs/dbraw/zinc/09/01/53/346090153.db2.gz QLVOKEGJGIFZMC-DYVFJYSZSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243337 346090155 /nfs/dbraw/zinc/09/01/55/346090155.db2.gz QLVOKEGJGIFZMC-DYVFJYSZSA-N 1 3 258.409 3.095 20 0 CGADHO Cc1ccccc1CCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257667432 346401013 /nfs/dbraw/zinc/40/10/13/346401013.db2.gz HPYREZRKBXRPSZ-GOSISDBHSA-N 1 3 272.436 3.003 20 0 CGADHO Cc1ccccc1CCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257667432 346401018 /nfs/dbraw/zinc/40/10/18/346401018.db2.gz HPYREZRKBXRPSZ-GOSISDBHSA-N 1 3 272.436 3.003 20 0 CGADHO Cc1ccccc1CCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257667432 346401021 /nfs/dbraw/zinc/40/10/21/346401021.db2.gz HPYREZRKBXRPSZ-GOSISDBHSA-N 1 3 272.436 3.003 20 0 CGADHO Cc1sc(CNC2CCC(C[NH3+])CC2)nc1C(C)C ZINC000422715211 282477383 /nfs/dbraw/zinc/47/73/83/282477383.db2.gz RTDWWRUTTQJNGZ-UHFFFAOYSA-N 1 3 281.469 3.182 20 0 CGADHO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C1CCN(C)CC1 ZINC000624104481 349970412 /nfs/dbraw/zinc/97/04/12/349970412.db2.gz UUCGFTBJMSXJAK-RDTXWAMCSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)[C@@H](C[NH2+]C[C@H](C)CN(C)C)c1ccccc1 ZINC000389031285 346572077 /nfs/dbraw/zinc/57/20/77/346572077.db2.gz DDDSRRPCASDDAI-DOTOQJQBSA-N 1 3 262.441 3.214 20 0 CGADHO Cc1csc([C@H](C)C[NH2+][C@H]2C[C@H](N)c3ccccc32)n1 ZINC000584774790 346712923 /nfs/dbraw/zinc/71/29/23/346712923.db2.gz NDBVTVBDRVMGPW-ONERCXAPSA-N 1 3 287.432 3.289 20 0 CGADHO CSCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000596650648 347498715 /nfs/dbraw/zinc/49/87/15/347498715.db2.gz MKOCTYPRCRWRNK-BZUAXINKSA-N 1 3 296.524 3.420 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120472 349976933 /nfs/dbraw/zinc/97/69/33/349976933.db2.gz ZYGPQFPGDXDGKX-MSOLQXFVSA-N 1 3 274.452 3.329 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000602023450 347934304 /nfs/dbraw/zinc/93/43/04/347934304.db2.gz XIQIKAHBHXWSDF-NRXISQOPSA-N 1 3 284.513 3.276 20 0 CGADHO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)s1 ZINC000624121234 349978893 /nfs/dbraw/zinc/97/88/93/349978893.db2.gz QPPGBFXBJJTYLV-RISCZKNCSA-N 1 3 281.469 3.142 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1 ZINC000128685049 187383967 /nfs/dbraw/zinc/38/39/67/187383967.db2.gz ZXBPXJWCDYJIGN-LSDHHAIUSA-N 1 3 278.440 3.041 20 0 CGADHO CN(C)CC[C@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)(C)C ZINC000604770664 348132811 /nfs/dbraw/zinc/13/28/11/348132811.db2.gz ARHYJJPQLYCENM-INIZCTEOSA-N 1 3 288.439 3.019 20 0 CGADHO C[NH+](C)CC[C@H](NCc1[nH]nc2ccccc21)C(C)(C)C ZINC000604770664 348132812 /nfs/dbraw/zinc/13/28/12/348132812.db2.gz ARHYJJPQLYCENM-INIZCTEOSA-N 1 3 288.439 3.019 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000624122528 349982113 /nfs/dbraw/zinc/98/21/13/349982113.db2.gz UBONHGIWYAFMBF-HYVNUMGLSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCCC1 ZINC000624123176 349982287 /nfs/dbraw/zinc/98/22/87/349982287.db2.gz HFSOYBSKCQEZOX-GOEBONIOSA-N 1 3 252.446 3.277 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(CCSC3CCCCC3)C2)C1 ZINC000339440050 215172346 /nfs/dbraw/zinc/17/23/46/215172346.db2.gz VXBNYSYVXMQROE-QGZVFWFLSA-N 1 3 296.524 3.470 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(CCSC3CCCCC3)C2)C1 ZINC000339440050 215172347 /nfs/dbraw/zinc/17/23/47/215172347.db2.gz VXBNYSYVXMQROE-QGZVFWFLSA-N 1 3 296.524 3.470 20 0 CGADHO C/C=C\CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624198754 349999932 /nfs/dbraw/zinc/99/99/32/349999932.db2.gz XAUYOBMTRPPEFA-VLEPGRHQSA-N 1 3 270.420 3.348 20 0 CGADHO C/C=C\CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198754 349999933 /nfs/dbraw/zinc/99/99/33/349999933.db2.gz XAUYOBMTRPPEFA-VLEPGRHQSA-N 1 3 270.420 3.348 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([N@H+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000625271024 350150969 /nfs/dbraw/zinc/15/09/69/350150969.db2.gz UPNBVXMQXSJIBS-UTSKFRMZSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([N@@H+](C)C[C@H]2C[C@@H]2C)CC1 ZINC000625271024 350150970 /nfs/dbraw/zinc/15/09/70/350150970.db2.gz UPNBVXMQXSJIBS-UTSKFRMZSA-N 1 3 264.457 3.085 20 0 CGADHO COC1(CNCCC[NH+](C(C)C)C(C)C)CCCC1 ZINC000359749793 233372281 /nfs/dbraw/zinc/37/22/81/233372281.db2.gz WTPSONYKWFCJAD-UHFFFAOYSA-N 1 3 270.461 3.044 20 0 CGADHO Cc1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c(CN(C)C)c1 ZINC000628196755 350436424 /nfs/dbraw/zinc/43/64/24/350436424.db2.gz BJGLDYIKLUTNHH-MRXNPFEDSA-N 1 3 289.467 3.341 20 0 CGADHO Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(CN(C)C)c1 ZINC000628196755 350436429 /nfs/dbraw/zinc/43/64/29/350436429.db2.gz BJGLDYIKLUTNHH-MRXNPFEDSA-N 1 3 289.467 3.341 20 0 CGADHO Cc1nc(C)c(CNCCCCC[NH+]2CCCCC2)o1 ZINC000628212302 350442715 /nfs/dbraw/zinc/44/27/15/350442715.db2.gz HBHDLPINCRMLQW-UHFFFAOYSA-N 1 3 279.428 3.037 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000628425941 350536943 /nfs/dbraw/zinc/53/69/43/350536943.db2.gz ZYGNOUOWQPEDGG-ILXRZTDVSA-N 1 3 284.513 3.228 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550058 350711021 /nfs/dbraw/zinc/71/10/21/350711021.db2.gz XIPBXPLQSTWCBO-ILXRZTDVSA-N 1 3 264.800 3.187 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1ccccc1CC(F)(F)F ZINC000629554706 350711789 /nfs/dbraw/zinc/71/17/89/350711789.db2.gz OBESNXHHTGZFPY-WDEREUQCSA-N 1 3 274.330 3.007 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629551948 350712021 /nfs/dbraw/zinc/71/20/21/350712021.db2.gz YHDOKEDDUMSCJI-RYUDHWBXSA-N 1 3 278.362 3.087 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551948 350712024 /nfs/dbraw/zinc/71/20/24/350712024.db2.gz YHDOKEDDUMSCJI-RYUDHWBXSA-N 1 3 278.362 3.087 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629556652 350712937 /nfs/dbraw/zinc/71/29/37/350712937.db2.gz WMJBYAAQDYRUOC-NHYWBVRUSA-N 1 3 291.826 3.081 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000629408002 350689083 /nfs/dbraw/zinc/68/90/83/350689083.db2.gz OBDADLZEOFZHAA-FQXVJMBOSA-N 1 3 272.436 3.227 20 0 CGADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@@H]1CCc3ccccc31)C2 ZINC000629595341 350717077 /nfs/dbraw/zinc/71/70/77/350717077.db2.gz QDRDQLOKHAFDKE-YTQUADARSA-N 1 3 284.447 3.038 20 0 CGADHO c1ccc(OCCCCC[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000629651037 350730698 /nfs/dbraw/zinc/73/06/98/350730698.db2.gz OHWQFCWMLIXHPC-KRWDZBQOSA-N 1 3 288.435 3.110 20 0 CGADHO Cc1cc(CNC2CCC([NH+]3CCC(C)CC3)CC2)on1 ZINC000631100514 350953794 /nfs/dbraw/zinc/95/37/94/350953794.db2.gz WXPRRYNBYSNNLF-UHFFFAOYSA-N 1 3 291.439 3.116 20 0 CGADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000631651530 351106163 /nfs/dbraw/zinc/10/61/63/351106163.db2.gz KTUCEEDWIFCKCS-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](NCC(C)(C)F)c1cccc(OCC[NH+](C)C)c1 ZINC000631660774 351108968 /nfs/dbraw/zinc/10/89/68/351108968.db2.gz YNNUREZIUWVJFK-CYBMUJFWSA-N 1 3 282.403 3.026 20 0 CGADHO C[C@@H]([NH2+]C[C@@]1(Cc2ccccc2)C=CCCC1)C1CNC1 ZINC000635021460 351632902 /nfs/dbraw/zinc/63/29/02/351632902.db2.gz OXOUWYALAZVTLG-APWZRJJASA-N 1 3 284.447 3.153 20 0 CGADHO C[C@@H](NC[C@@]1(Cc2ccccc2)C=CCCC1)C1C[NH2+]C1 ZINC000635021460 351632906 /nfs/dbraw/zinc/63/29/06/351632906.db2.gz OXOUWYALAZVTLG-APWZRJJASA-N 1 3 284.447 3.153 20 0 CGADHO Cc1ccsc1[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008384 351626502 /nfs/dbraw/zinc/62/65/02/351626502.db2.gz DGIDKLMTPWTEBD-OLZOCXBDSA-N 1 3 266.454 3.485 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCC1 ZINC000635009484 351627484 /nfs/dbraw/zinc/62/74/84/351627484.db2.gz VUCHZRRLLQLSLP-IAGOWNOFSA-N 1 3 260.425 3.115 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc3cc(OC)ccc3c2)C1 ZINC000124145427 187124032 /nfs/dbraw/zinc/12/40/32/187124032.db2.gz FTJGWIIDPXAZBY-MRXNPFEDSA-N 1 3 298.430 3.280 20 0 CGADHO COCc1ccccc1/C=C(\C)CN[C@@H](C)CC[NH+](C)C ZINC000352285003 219392577 /nfs/dbraw/zinc/39/25/77/219392577.db2.gz CSTGZJBISUHVIO-STTHAQSSSA-N 1 3 290.451 3.166 20 0 CGADHO Clc1cccc(CCNC2CC[NH+](CC3CC3)CC2)c1 ZINC000157067000 188295368 /nfs/dbraw/zinc/29/53/68/188295368.db2.gz JFDPUBVMBFLZPY-UHFFFAOYSA-N 1 3 292.854 3.347 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000271790017 191328815 /nfs/dbraw/zinc/32/88/15/191328815.db2.gz GOVUKGOAOYMTIX-UHFFFAOYSA-N 1 3 266.388 3.191 20 0 CGADHO CC(C)COc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271791335 191330341 /nfs/dbraw/zinc/33/03/41/191330341.db2.gz GRXYSRFGKJGGMB-UHFFFAOYSA-N 1 3 288.435 3.073 20 0 CGADHO CN1CC=C(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000271834386 191355658 /nfs/dbraw/zinc/35/56/58/191355658.db2.gz PKUZNTQSFICQTJ-UHFFFAOYSA-N 1 3 272.417 3.253 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000271828796 191351618 /nfs/dbraw/zinc/35/16/18/191351618.db2.gz DPJYNWMBFLUXIA-GFCCVEGCSA-N 1 3 296.361 3.201 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cccc(Cl)c1 ZINC000271897495 191396529 /nfs/dbraw/zinc/39/65/29/191396529.db2.gz UOZCLBIKMQMSRG-LBPRGKRZSA-N 1 3 264.800 3.253 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CNCc2cc(Cl)ccc2F)C1 ZINC000414989542 235507093 /nfs/dbraw/zinc/50/70/93/235507093.db2.gz HMESIWBAVYNQKS-GXFFZTMASA-N 1 3 270.779 3.086 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093489785 138346716 /nfs/dbraw/zinc/34/67/16/138346716.db2.gz ILZWJSLGWARQDI-OKZBNKHCSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CNCCC2CC[NH+](C)CC2)o1 ZINC000105454640 138352802 /nfs/dbraw/zinc/35/28/02/138352802.db2.gz SCPGCTFOACQQRL-BBRMVZONSA-N 1 3 276.424 3.225 20 0 CGADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423260119 236011399 /nfs/dbraw/zinc/01/13/99/236011399.db2.gz PNWLQDGYNHNPKU-NEPJUHHUSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1 ZINC000423296265 236028281 /nfs/dbraw/zinc/02/82/81/236028281.db2.gz YUMCHIWEBCCVKX-KGLIPLIRSA-N 1 3 284.403 3.049 20 0 CGADHO NC1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCC1 ZINC000423319401 236036870 /nfs/dbraw/zinc/03/68/70/236036870.db2.gz FELRVVQADWMGCX-AWEZNQCLSA-N 1 3 264.800 3.262 20 0 CGADHO C[C@H](CN)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000423333223 236041882 /nfs/dbraw/zinc/04/18/82/236041882.db2.gz RFHWAFONEOASOQ-SKDRFNHKSA-N 1 3 270.829 3.204 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423447874 236072851 /nfs/dbraw/zinc/07/28/51/236072851.db2.gz UNYGSQBZHOYYNF-MURWCNHISA-N 1 3 298.352 3.143 20 0 CGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccncc1 ZINC000423517457 236092001 /nfs/dbraw/zinc/09/20/01/236092001.db2.gz YWJCVZJVKACWGE-WMLDXEAASA-N 1 3 269.392 3.212 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000423548562 236097728 /nfs/dbraw/zinc/09/77/28/236097728.db2.gz GSTUGIMHSSOLJG-NVXWUHKLSA-N 1 3 287.451 3.148 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc(C)c1F ZINC000425951585 236275409 /nfs/dbraw/zinc/27/54/09/236275409.db2.gz NCXJKRHDIDNLPC-RISCZKNCSA-N 1 3 266.404 3.291 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]C[C@@H](C)CN(C)C)C2CC2)c1 ZINC000425945485 236275435 /nfs/dbraw/zinc/27/54/35/236275435.db2.gz RCRRCAOIVYSNAR-CRAIPNDOSA-N 1 3 274.452 3.103 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1)C1CC1 ZINC000449444535 299273372 /nfs/dbraw/zinc/27/33/72/299273372.db2.gz BNPXGKITCCZSGD-KEYYUXOJSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1cccc(O)c1 ZINC000194959456 299279946 /nfs/dbraw/zinc/27/99/46/299279946.db2.gz NLNBCYGAPOUXSW-AWEZNQCLSA-N 1 3 276.424 3.165 20 0 CGADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cccnc1 ZINC000092739379 299288898 /nfs/dbraw/zinc/28/88/98/299288898.db2.gz AJGIYYLVLCBQTO-INIZCTEOSA-N 1 3 275.440 3.244 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000298221536 200364190 /nfs/dbraw/zinc/36/41/90/200364190.db2.gz ALLPBKBEKCFQBB-IPJUCJBFSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000298221536 200364192 /nfs/dbraw/zinc/36/41/92/200364192.db2.gz ALLPBKBEKCFQBB-IPJUCJBFSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[N@H+]1CC[C@H](CNC2CC(C)(c3ccccc3)C2)C1 ZINC000298221536 200364193 /nfs/dbraw/zinc/36/41/93/200364193.db2.gz ALLPBKBEKCFQBB-IPJUCJBFSA-N 1 3 286.463 3.428 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000178362121 189110291 /nfs/dbraw/zinc/11/02/91/189110291.db2.gz VESCNSBHGFNEHC-UONOGXRCSA-N 1 3 276.424 3.076 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000178380144 189111930 /nfs/dbraw/zinc/11/19/30/189111930.db2.gz KRXLGKRJNBQIAO-CABCVRRESA-N 1 3 278.465 3.159 20 0 CGADHO Cc1ccc(SCCN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178380144 189111931 /nfs/dbraw/zinc/11/19/31/189111931.db2.gz KRXLGKRJNBQIAO-CABCVRRESA-N 1 3 278.465 3.159 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423120781 296020635 /nfs/dbraw/zinc/02/06/35/296020635.db2.gz HOGNFPNNNXSQAN-DDHJBXDOSA-N 1 3 266.351 3.071 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-n2cccn2)cc1 ZINC000180855397 189280271 /nfs/dbraw/zinc/28/02/71/189280271.db2.gz KIOWFWMMDBCMSN-RDJZCZTQSA-N 1 3 298.434 3.007 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)ccc1F ZINC000342319670 216308671 /nfs/dbraw/zinc/30/86/71/216308671.db2.gz NKHPQNDBYWLJSK-UKRRQHHQSA-N 1 3 264.388 3.269 20 0 CGADHO Cc1[nH+]c2ccccc2c(NC2CCN(C)CC2)c1C ZINC000302096491 201339838 /nfs/dbraw/zinc/33/98/38/201339838.db2.gz SFOZFDNWFPPMCG-UHFFFAOYSA-N 1 3 269.392 3.358 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675486 193102501 /nfs/dbraw/zinc/10/25/01/193102501.db2.gz GOWDRGYWVMYACG-GJZGRUSLSA-N 1 3 278.415 3.203 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000275675486 193102503 /nfs/dbraw/zinc/10/25/03/193102503.db2.gz GOWDRGYWVMYACG-GJZGRUSLSA-N 1 3 278.415 3.203 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cc(F)cc(F)c1 ZINC000423276900 299369375 /nfs/dbraw/zinc/36/93/75/299369375.db2.gz OZWWGBYBWHZVKZ-ZIBATOQPSA-N 1 3 268.351 3.133 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCCCC1 ZINC000423391844 283940977 /nfs/dbraw/zinc/94/09/77/283940977.db2.gz LEBDZHUFDDFFTB-KBMXLJTQSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000271278487 296121944 /nfs/dbraw/zinc/12/19/44/296121944.db2.gz BWTZRLYDVVKUSC-HUUCEWRRSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000271278487 296121945 /nfs/dbraw/zinc/12/19/45/296121945.db2.gz BWTZRLYDVVKUSC-HUUCEWRRSA-N 1 3 293.430 3.383 20 0 CGADHO CC[NH+](CC)C[C@@H](C)Nc1ccnc2cc(OC)ccc21 ZINC000027555851 368872818 /nfs/dbraw/zinc/87/28/18/368872818.db2.gz YUSKOTBTXMVONG-CYBMUJFWSA-N 1 3 287.407 3.386 20 0 CGADHO CC1(C)CC([NH2+][C@H]2CCc3ccccc3C2)CC(C)(C)N1 ZINC000034994792 368988055 /nfs/dbraw/zinc/98/80/55/368988055.db2.gz RGULEIDFLDXPKW-INIZCTEOSA-N 1 3 286.463 3.443 20 0 CGADHO CC1(C)CC(N[C@H]2CCc3ccccc3C2)CC(C)(C)[NH2+]1 ZINC000034994792 368988056 /nfs/dbraw/zinc/98/80/56/368988056.db2.gz RGULEIDFLDXPKW-INIZCTEOSA-N 1 3 286.463 3.443 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000037644372 369094252 /nfs/dbraw/zinc/09/42/52/369094252.db2.gz AVGATAKEBBVTGY-KTAKPFMOSA-N 1 3 276.399 3.003 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649511 369097415 /nfs/dbraw/zinc/09/74/15/369097415.db2.gz AHOJUSPEAVFHJY-GOEBONIOSA-N 1 3 272.436 3.384 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649511 369097419 /nfs/dbraw/zinc/09/74/19/369097419.db2.gz AHOJUSPEAVFHJY-GOEBONIOSA-N 1 3 272.436 3.384 20 0 CGADHO CC[C@@H](NCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037713713 369100486 /nfs/dbraw/zinc/10/04/86/369100486.db2.gz VUNUPBHNYAZUHC-GFCCVEGCSA-N 1 3 261.196 3.383 20 0 CGADHO CCc1ccc([C@@H](NC2CC[NH2+]CC2)C(C)C)cc1 ZINC000038040746 369142864 /nfs/dbraw/zinc/14/28/64/369142864.db2.gz AGZDEWVPMQJNSE-KRWDZBQOSA-N 1 3 260.425 3.288 20 0 CGADHO CCc1ccc([C@@H]([NH2+]C2CCNCC2)C(C)C)cc1 ZINC000038040746 369142869 /nfs/dbraw/zinc/14/28/69/369142869.db2.gz AGZDEWVPMQJNSE-KRWDZBQOSA-N 1 3 260.425 3.288 20 0 CGADHO C[C@H](CC[NH2+]CCCN1CCCC1)c1ccccc1 ZINC000043532944 369253351 /nfs/dbraw/zinc/25/33/51/369253351.db2.gz DOADFZFJHKCMRT-MRXNPFEDSA-N 1 3 260.425 3.256 20 0 CGADHO C[C@H](CCNCCC[NH+]1CCCC1)c1ccccc1 ZINC000043532944 369253356 /nfs/dbraw/zinc/25/33/56/369253356.db2.gz DOADFZFJHKCMRT-MRXNPFEDSA-N 1 3 260.425 3.256 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N[C@H](C)CC[NH+](C)C ZINC000049553468 369409538 /nfs/dbraw/zinc/40/95/38/369409538.db2.gz QNPKLDUFDLPGBZ-CXAGYDPISA-N 1 3 276.424 3.002 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000050267590 369433387 /nfs/dbraw/zinc/43/33/87/369433387.db2.gz FXGWGWCKYUDHRF-SFHVURJKSA-N 1 3 288.435 3.311 20 0 CGADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000051919478 369455969 /nfs/dbraw/zinc/45/59/69/369455969.db2.gz BKYKTYQOAVEASN-LLVKDONJSA-N 1 3 272.845 3.223 20 0 CGADHO C[C@H]1CN(Cc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000052062050 369463291 /nfs/dbraw/zinc/46/32/91/369463291.db2.gz XEKIYBROZADAQJ-GUYCJALGSA-N 1 3 254.377 3.009 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2c(C)noc2C)CC1 ZINC000052209594 369467717 /nfs/dbraw/zinc/46/77/17/369467717.db2.gz URNOTTLGAADIDL-UHFFFAOYSA-N 1 3 293.455 3.235 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2c(C)noc2C)CC1 ZINC000052209594 369467720 /nfs/dbraw/zinc/46/77/20/369467720.db2.gz URNOTTLGAADIDL-UHFFFAOYSA-N 1 3 293.455 3.235 20 0 CGADHO C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)CN1CCCC1 ZINC000057994269 369551589 /nfs/dbraw/zinc/55/15/89/369551589.db2.gz BNVGPPHYBXXDKU-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000068691280 369746536 /nfs/dbraw/zinc/74/65/36/369746536.db2.gz UYUFBDSYDWGQJD-STQMWFEESA-N 1 3 289.448 3.289 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858012 369840489 /nfs/dbraw/zinc/84/04/89/369840489.db2.gz OWJCOAGIOGKMOV-MRXNPFEDSA-N 1 3 297.446 3.317 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000072858012 369840493 /nfs/dbraw/zinc/84/04/93/369840493.db2.gz OWJCOAGIOGKMOV-MRXNPFEDSA-N 1 3 297.446 3.317 20 0 CGADHO C[C@H]([NH2+]CCOCCN(C)C)c1cc2ccccc2s1 ZINC000219316290 376198966 /nfs/dbraw/zinc/19/89/66/376198966.db2.gz MEMHBSIOGQUEBR-ZDUSSCGKSA-N 1 3 292.448 3.130 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000093089021 370108550 /nfs/dbraw/zinc/10/85/50/370108550.db2.gz LFHMEIXUWWGGKU-CZUORRHYSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)CN1CCCCC1 ZINC000094424024 370168744 /nfs/dbraw/zinc/16/87/44/370168744.db2.gz YNUBWCXPBUPDGM-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CN[C@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCCC1 ZINC000094424024 370168750 /nfs/dbraw/zinc/16/87/50/370168750.db2.gz YNUBWCXPBUPDGM-CABCVRRESA-N 1 3 282.472 3.044 20 0 CGADHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000093453091 370132201 /nfs/dbraw/zinc/13/22/01/370132201.db2.gz HLIVCOADMHFFKL-ZSYWTGECSA-N 1 3 284.447 3.054 20 0 CGADHO Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451301 370132540 /nfs/dbraw/zinc/13/25/40/370132540.db2.gz ZYEAHIGZMWSMPU-IXDOHACOSA-N 1 3 258.409 3.005 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638628 370151568 /nfs/dbraw/zinc/15/15/68/370151568.db2.gz FSBLQJZRGGVIOG-MLGOLLRUSA-N 1 3 282.378 3.127 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000093638628 370151573 /nfs/dbraw/zinc/15/15/73/370151573.db2.gz FSBLQJZRGGVIOG-MLGOLLRUSA-N 1 3 282.378 3.127 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000512050560 245017440 /nfs/dbraw/zinc/01/74/40/245017440.db2.gz CVYZHASGUJENSQ-SJDLMVEWSA-N 1 3 294.389 3.300 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCCC1 ZINC000116382479 370559556 /nfs/dbraw/zinc/55/95/56/370559556.db2.gz MZPWHUJVLNRSQR-KRWDZBQOSA-N 1 3 260.425 3.083 20 0 CGADHO COc1ccc2cc(CN3CC[C@H]([C@@H](C)[NH3+])C3)ccc2c1 ZINC000132216364 371158795 /nfs/dbraw/zinc/15/87/95/371158795.db2.gz LCGHGIMHCCOKCO-DYVFJYSZSA-N 1 3 284.403 3.018 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133638920 371267962 /nfs/dbraw/zinc/26/79/62/371267962.db2.gz OKDNIKYVSFDDCV-JMSVASOKSA-N 1 3 298.377 3.106 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000135610127 371439989 /nfs/dbraw/zinc/43/99/89/371439989.db2.gz ZRSPQWFVXHHCGB-IAGOWNOFSA-N 1 3 260.425 3.112 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000151126955 371573755 /nfs/dbraw/zinc/57/37/55/371573755.db2.gz TVGPUNRAQREARS-DZGCQCFKSA-N 1 3 278.465 3.447 20 0 CGADHO Fc1ccc(C[C@@H]([NH2+]C2CCNCC2)c2ccccc2)cc1 ZINC000422705106 371759933 /nfs/dbraw/zinc/75/99/33/371759933.db2.gz QVKPWEYYRMGHBA-LJQANCHMSA-N 1 3 298.405 3.451 20 0 CGADHO CCC1CCC(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422708311 371761351 /nfs/dbraw/zinc/76/13/51/371761351.db2.gz BMSMWIDHYDGQIZ-LBDPXKHJSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000422709005 371761644 /nfs/dbraw/zinc/76/16/44/371761644.db2.gz CROXYTGPUOISPL-OZVIIMIRSA-N 1 3 264.388 3.382 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1coc(-c2cccs2)n1 ZINC000422718549 371766406 /nfs/dbraw/zinc/76/64/06/371766406.db2.gz LDKWYBJPSDEOOD-NSHDSACASA-N 1 3 279.409 3.010 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2c1C ZINC000422720453 371767590 /nfs/dbraw/zinc/76/75/90/371767590.db2.gz MNMTYHGYGZLCLX-WBVHZDCISA-N 1 3 285.435 3.392 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2c1C ZINC000422722269 371767779 /nfs/dbraw/zinc/76/77/79/371767779.db2.gz PAJFBGVABNEHIP-HOCLYGCPSA-N 1 3 271.408 3.002 20 0 CGADHO C[C@@H]1CCCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422729648 371770050 /nfs/dbraw/zinc/77/00/50/371770050.db2.gz LBGLXRFLHBQUIF-AFLMIKJESA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000422755953 371787000 /nfs/dbraw/zinc/78/70/00/371787000.db2.gz IHQAJMDQMCYKOO-AGIUHOORSA-N 1 3 252.427 3.095 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422758567 371790265 /nfs/dbraw/zinc/79/02/65/371790265.db2.gz NXOYUBIJVYRADU-ZBFHGGJFSA-N 1 3 278.465 3.147 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)Oc1ccccc1F ZINC000422817614 371829307 /nfs/dbraw/zinc/82/93/07/371829307.db2.gz IAHBFERWNNFSIH-LZWOXQAQSA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1F ZINC000422817614 371829310 /nfs/dbraw/zinc/82/93/10/371829310.db2.gz IAHBFERWNNFSIH-LZWOXQAQSA-N 1 3 294.414 3.090 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422818625 371829505 /nfs/dbraw/zinc/82/95/05/371829505.db2.gz LBGCUXTYXAPYRP-XQLPTFJDSA-N 1 3 270.486 3.028 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1ccc(Cl)cc1Cl ZINC000422829456 371831427 /nfs/dbraw/zinc/83/14/27/371831427.db2.gz UOGWUXFYPINQRJ-KBPBESRZSA-N 1 3 287.234 3.395 20 0 CGADHO Cc1ccccc1[C@H](N[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422835401 371832366 /nfs/dbraw/zinc/83/23/66/371832366.db2.gz ISHKTCZCWOWVJE-CJNGLKHVSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1ccccc1[C@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000422835401 371832370 /nfs/dbraw/zinc/83/23/70/371832370.db2.gz ISHKTCZCWOWVJE-CJNGLKHVSA-N 1 3 260.425 3.280 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422775804 371799002 /nfs/dbraw/zinc/79/90/02/371799002.db2.gz CKKRMGRZEGOADX-GUDVDZBRSA-N 1 3 286.463 3.356 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000422777689 371800840 /nfs/dbraw/zinc/80/08/40/371800840.db2.gz GCYVYECXVYDBHQ-DOTOQJQBSA-N 1 3 274.452 3.380 20 0 CGADHO Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422795457 371813280 /nfs/dbraw/zinc/81/32/80/371813280.db2.gz VPAIBDVJKOQLBQ-NIKGAXFTSA-N 1 3 296.414 3.497 20 0 CGADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422803637 371818220 /nfs/dbraw/zinc/81/82/20/371818220.db2.gz DCZCDOKEGSFFPU-IXDOHACOSA-N 1 3 296.499 3.076 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422804506 371821415 /nfs/dbraw/zinc/82/14/15/371821415.db2.gz FFDHCSZXXQAUHL-GJZGRUSLSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccccc2)CCCC1 ZINC000422804506 371821417 /nfs/dbraw/zinc/82/14/17/371821417.db2.gz FFDHCSZXXQAUHL-GJZGRUSLSA-N 1 3 260.425 3.214 20 0 CGADHO CSc1cc(C)ccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422871204 371846944 /nfs/dbraw/zinc/84/69/44/371846944.db2.gz CSVVYPOAWAOWED-HIFRSBDPSA-N 1 3 278.465 3.324 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882825 371852177 /nfs/dbraw/zinc/85/21/77/371852177.db2.gz BBHMFLCDYRNUEX-PKOBYXMFSA-N 1 3 298.430 3.326 20 0 CGADHO CCOc1cccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422885161 371853836 /nfs/dbraw/zinc/85/38/36/371853836.db2.gz YGQRRGPDWLOJCU-ZDUSSCGKSA-N 1 3 299.418 3.098 20 0 CGADHO C[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)C1CNC1 ZINC000422888096 371854770 /nfs/dbraw/zinc/85/47/70/371854770.db2.gz MACFRCCAAYNBLI-HPUBIQBYSA-N 1 3 272.436 3.158 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422898680 371859412 /nfs/dbraw/zinc/85/94/12/371859412.db2.gz MOTXJXYOCLWMAV-SJLPKXTDSA-N 1 3 290.451 3.261 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422901106 371861803 /nfs/dbraw/zinc/86/18/03/371861803.db2.gz BNJUECZHFDHKAA-UKRRQHHQSA-N 1 3 276.449 3.028 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422901106 371861806 /nfs/dbraw/zinc/86/18/06/371861806.db2.gz BNJUECZHFDHKAA-UKRRQHHQSA-N 1 3 276.449 3.028 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NC1(c2ccc(Cl)cc2)CCC1 ZINC000422933477 371877657 /nfs/dbraw/zinc/87/76/57/371877657.db2.gz DNNANEDMXFSHMI-NEPJUHHUSA-N 1 3 266.816 3.435 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2c1cccc2Cl ZINC000422931187 371878602 /nfs/dbraw/zinc/87/86/02/371878602.db2.gz AXUFZSXXRGGQTA-RBZYPMLTSA-N 1 3 252.789 3.043 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422840508 371836056 /nfs/dbraw/zinc/83/60/56/371836056.db2.gz TVVBXIPJRDTARH-IIYDPXPESA-N 1 3 276.399 3.181 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422844043 371836320 /nfs/dbraw/zinc/83/63/20/371836320.db2.gz KQZSKUMCLYAYEY-PBHICJAKSA-N 1 3 290.426 3.225 20 0 CGADHO CSCc1cc(F)ccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422850360 371840134 /nfs/dbraw/zinc/84/01/34/371840134.db2.gz CZUOZJOMBANSNT-HOTGVXAUSA-N 1 3 296.455 3.438 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000423059881 371939786 /nfs/dbraw/zinc/93/97/86/371939786.db2.gz NBHMTEILEXEJRQ-TZMCWYRMSA-N 1 3 275.440 3.468 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000423059878 371939833 /nfs/dbraw/zinc/93/98/33/371939833.db2.gz NBHMTEILEXEJRQ-GXTWGEPZSA-N 1 3 275.440 3.468 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423061354 371940598 /nfs/dbraw/zinc/94/05/98/371940598.db2.gz KKPBZYYCVBWXNJ-WBVHZDCISA-N 1 3 278.415 3.256 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OC2CCCC2)cc1 ZINC000422948007 371887427 /nfs/dbraw/zinc/88/74/27/371887427.db2.gz RJQPERMHYXEGPE-MAUKXSAKSA-N 1 3 288.435 3.225 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000422964945 371895538 /nfs/dbraw/zinc/89/55/38/371895538.db2.gz NIZJTMKPKOVVFU-OLZOCXBDSA-N 1 3 287.407 3.114 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422966615 371895868 /nfs/dbraw/zinc/89/58/68/371895868.db2.gz NWBMFSNRMXORJB-XLNTUCKNSA-N 1 3 294.442 3.481 20 0 CGADHO CS[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)(C)C ZINC000423034722 371926983 /nfs/dbraw/zinc/92/69/83/371926983.db2.gz QKERZLSAXLRRMW-NUEKZKHPSA-N 1 3 294.508 3.312 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCC[C@H]2CCCCO2)c2ccccc21 ZINC000423037101 371928413 /nfs/dbraw/zinc/92/84/13/371928413.db2.gz MIQVXUWGXGSXGG-XYPHTWIQSA-N 1 3 274.408 3.070 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423046113 371932074 /nfs/dbraw/zinc/93/20/74/371932074.db2.gz DFQZKSCKVLXINH-ZBFHGGJFSA-N 1 3 264.457 3.491 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423092721 371958657 /nfs/dbraw/zinc/95/86/57/371958657.db2.gz DCWXGNKALWKIHU-SDADXPQNSA-N 1 3 278.827 3.303 20 0 CGADHO CSc1cccc(F)c1CN[C@@H](C)CCCC[NH3+] ZINC000423101362 371966459 /nfs/dbraw/zinc/96/64/59/371966459.db2.gz IMYQVHCGZKAACG-NSHDSACASA-N 1 3 270.417 3.155 20 0 CGADHO CSCc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423103720 371967730 /nfs/dbraw/zinc/96/77/30/371967730.db2.gz GJWLUZLGMZJXQO-HOTGVXAUSA-N 1 3 278.465 3.157 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000156293266 371972025 /nfs/dbraw/zinc/97/20/25/371972025.db2.gz MBCWPKOMHSPMTF-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000156293266 371972032 /nfs/dbraw/zinc/97/20/32/371972032.db2.gz MBCWPKOMHSPMTF-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@H](NCC1CC(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423117043 371975115 /nfs/dbraw/zinc/97/51/15/371975115.db2.gz SPXVGUYWBCVDRF-HRSCSKTISA-N 1 3 272.436 3.300 20 0 CGADHO COC[C@H](N[C@H](C)CCCC[NH3+])c1cccc(Cl)c1 ZINC000423130423 371982410 /nfs/dbraw/zinc/98/24/10/371982410.db2.gz YGZRFBIRKZYIIG-DOMZBBRYSA-N 1 3 284.831 3.135 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2CN)c(C)c1 ZINC000423133997 371985001 /nfs/dbraw/zinc/98/50/01/371985001.db2.gz RCRWVCYFEKVFFJ-RDJZCZTQSA-N 1 3 274.452 3.298 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138277 371986315 /nfs/dbraw/zinc/98/63/15/371986315.db2.gz XNLALXQHJHMSOH-ODVANORSSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423138277 371986318 /nfs/dbraw/zinc/98/63/18/371986318.db2.gz XNLALXQHJHMSOH-ODVANORSSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000156575638 371987082 /nfs/dbraw/zinc/98/70/82/371987082.db2.gz YDGYQYSEHDJGFS-YRGRVCCFSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3sccc32)CC[N@H+]1C ZINC000156575638 371987088 /nfs/dbraw/zinc/98/70/88/371987088.db2.gz YDGYQYSEHDJGFS-YRGRVCCFSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146458 371991020 /nfs/dbraw/zinc/99/10/20/371991020.db2.gz PJQKHDKIGDCAOV-CYDGBPFRSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423146458 371991023 /nfs/dbraw/zinc/99/10/23/371991023.db2.gz PJQKHDKIGDCAOV-CYDGBPFRSA-N 1 3 266.816 3.301 20 0 CGADHO FC1(F)CC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423165791 371998487 /nfs/dbraw/zinc/99/84/87/371998487.db2.gz QIXMNCMTTPEFLQ-RRFJBIMHSA-N 1 3 286.410 3.322 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NC1(Cc2cccc(Cl)c2)CC1 ZINC000423168494 371999266 /nfs/dbraw/zinc/99/92/66/371999266.db2.gz YCUYTGJMDUPWHM-NEPJUHHUSA-N 1 3 266.816 3.131 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000423168494 371999273 /nfs/dbraw/zinc/99/92/73/371999273.db2.gz YCUYTGJMDUPWHM-NEPJUHHUSA-N 1 3 266.816 3.131 20 0 CGADHO COc1c2ccccc2oc1CN[C@@H](C)CCCC[NH3+] ZINC000423074302 371947323 /nfs/dbraw/zinc/94/73/23/371947323.db2.gz UKPSJXXOFLIQLL-LBPRGKRZSA-N 1 3 276.380 3.049 20 0 CGADHO NC1(C[NH2+][C@H]2CCCc3sccc32)CCCCC1 ZINC000423187901 372014762 /nfs/dbraw/zinc/01/47/62/372014762.db2.gz YLNIOKQFSZPORH-ZDUSSCGKSA-N 1 3 264.438 3.377 20 0 CGADHO CC[C@H]([NH2+]C1CCNCC1)c1cccc(Br)c1 ZINC000423191502 372017937 /nfs/dbraw/zinc/01/79/37/372017937.db2.gz UHUNBZSLDBAPBH-AWEZNQCLSA-N 1 3 297.240 3.242 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000423210052 372032157 /nfs/dbraw/zinc/03/21/57/372032157.db2.gz JMYUYUCAGKMUJR-NVXWUHKLSA-N 1 3 272.436 3.270 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H]1CCCNC1 ZINC000423210052 372032162 /nfs/dbraw/zinc/03/21/62/372032162.db2.gz JMYUYUCAGKMUJR-NVXWUHKLSA-N 1 3 272.436 3.270 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423405390 372060787 /nfs/dbraw/zinc/06/07/87/372060787.db2.gz TWDCJKADCJSYBI-CLWVCHIJSA-N 1 3 258.409 3.131 20 0 CGADHO C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)c2sccc21 ZINC000423219451 372037513 /nfs/dbraw/zinc/03/75/13/372037513.db2.gz WUSXFBBALWBTOO-BZPMIXESSA-N 1 3 264.438 3.276 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)c2sccc21 ZINC000423219451 372037518 /nfs/dbraw/zinc/03/75/18/372037518.db2.gz WUSXFBBALWBTOO-BZPMIXESSA-N 1 3 264.438 3.276 20 0 CGADHO C[C@@H](N[C@@H](C)c1cc2c(s1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000423218381 372037777 /nfs/dbraw/zinc/03/77/77/372037777.db2.gz RXJPFBBCBOHCPE-MBNYWOFBSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCC2)[C@@H]1CCCNC1 ZINC000423218381 372037788 /nfs/dbraw/zinc/03/77/88/372037788.db2.gz RXJPFBBCBOHCPE-MBNYWOFBSA-N 1 3 278.465 3.276 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423285263 372048299 /nfs/dbraw/zinc/04/82/99/372048299.db2.gz YYPPGZAETLWSCF-TYNCELHUSA-N 1 3 268.832 3.405 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccs1 ZINC000423322127 372051058 /nfs/dbraw/zinc/05/10/58/372051058.db2.gz NPKYXLUWEMDJDX-QWHCGFSZSA-N 1 3 252.427 3.162 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC000423374957 372055877 /nfs/dbraw/zinc/05/58/77/372055877.db2.gz KHKRGFUJYSJANX-NRSFXHEJSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@H](N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359226 372056151 /nfs/dbraw/zinc/05/61/51/372056151.db2.gz CYYSWAFRUPYVPG-KHYVRNETSA-N 1 3 294.389 3.044 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC000423175322 372004067 /nfs/dbraw/zinc/00/40/67/372004067.db2.gz DRIVOZKSIUGVPB-KRWDZBQOSA-N 1 3 288.435 3.324 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000423174129 372004706 /nfs/dbraw/zinc/00/47/06/372004706.db2.gz BJHYARGLQQYLNK-APIJFGDWSA-N 1 3 252.446 3.179 20 0 CGADHO Clc1ccc2c(c1)[C@H]([NH2+]C1CCNCC1)CCCC2 ZINC000423175727 372004995 /nfs/dbraw/zinc/00/49/95/372004995.db2.gz AXQFUFGDMBWJJZ-MRXNPFEDSA-N 1 3 278.827 3.449 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000423182163 372011417 /nfs/dbraw/zinc/01/14/17/372011417.db2.gz PYDRJNLKYWPSOH-AWEZNQCLSA-N 1 3 264.413 3.111 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000423435913 372063761 /nfs/dbraw/zinc/06/37/61/372063761.db2.gz DUPVZPNNHCSEHL-PGUXBMHVSA-N 1 3 266.816 3.433 20 0 CGADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1cccc(OC)c1 ZINC000159271414 372125236 /nfs/dbraw/zinc/12/52/36/372125236.db2.gz ODMASQLOTXMGMX-QGZVFWFLSA-N 1 3 276.424 3.220 20 0 CGADHO COC1(C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)CCC1 ZINC000429349927 372354258 /nfs/dbraw/zinc/35/42/58/372354258.db2.gz AWXVLJQQTXJZPK-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO CSc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1F ZINC000344336754 217156493 /nfs/dbraw/zinc/15/64/93/217156493.db2.gz VMPICOJVIBFBIZ-GFCCVEGCSA-N 1 3 294.439 3.460 20 0 CGADHO CSc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1F ZINC000344336754 217156496 /nfs/dbraw/zinc/15/64/96/217156496.db2.gz VMPICOJVIBFBIZ-GFCCVEGCSA-N 1 3 294.439 3.460 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1cscn1 ZINC000162295984 372386103 /nfs/dbraw/zinc/38/61/03/372386103.db2.gz CYSXZTCZGFZHFP-OLZOCXBDSA-N 1 3 269.458 3.304 20 0 CGADHO CCCCN1CCC([NH2+]Cc2ccsc2C)CC1 ZINC000293527954 372402997 /nfs/dbraw/zinc/40/29/97/372402997.db2.gz JCLSKANGEBQMSK-UHFFFAOYSA-N 1 3 266.454 3.411 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)c(C)s1 ZINC000293670861 372445004 /nfs/dbraw/zinc/44/50/04/372445004.db2.gz MOSGIBFBTMZJEB-CMPLNLGQSA-N 1 3 254.443 3.213 20 0 CGADHO CN1CCC[C@]2(CC[N@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684072 372449066 /nfs/dbraw/zinc/44/90/66/372449066.db2.gz PZAWVDLLBZKOQV-BWDYHRDRSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684072 372449068 /nfs/dbraw/zinc/44/90/68/372449068.db2.gz PZAWVDLLBZKOQV-BWDYHRDRSA-N 1 3 288.410 3.257 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000293746993 372468248 /nfs/dbraw/zinc/46/82/48/372468248.db2.gz XTSDTPHAKNNAAX-HZPDHXFCSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000293746993 372468254 /nfs/dbraw/zinc/46/82/54/372468254.db2.gz XTSDTPHAKNNAAX-HZPDHXFCSA-N 1 3 290.451 3.177 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000169041147 372625039 /nfs/dbraw/zinc/62/50/39/372625039.db2.gz SFVOGFLYWSTHQO-XOKHGSTOSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169041147 372625048 /nfs/dbraw/zinc/62/50/48/372625048.db2.gz SFVOGFLYWSTHQO-XOKHGSTOSA-N 1 3 292.854 3.487 20 0 CGADHO CCOc1ccc(CN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435391819 372758622 /nfs/dbraw/zinc/75/86/22/372758622.db2.gz ULVZVXRVORJAKK-MRXNPFEDSA-N 1 3 276.424 3.049 20 0 CGADHO COCC1CCC([NH2+]Cc2cccc(CN(C)C)c2)CC1 ZINC000295451034 372785410 /nfs/dbraw/zinc/78/54/10/372785410.db2.gz QENCFLCFCWYZSG-UHFFFAOYSA-N 1 3 290.451 3.043 20 0 CGADHO CC[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1)OC ZINC000353542881 220148477 /nfs/dbraw/zinc/14/84/77/220148477.db2.gz WKSWUJNGNRCFGN-BHYGNILZSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](CC)c1ccsc1 ZINC000296229720 373059764 /nfs/dbraw/zinc/05/97/64/373059764.db2.gz AKKMPHBAYQGBPU-LSDHHAIUSA-N 1 3 284.469 3.146 20 0 CGADHO CSc1ccccc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000442856176 373105514 /nfs/dbraw/zinc/10/55/14/373105514.db2.gz OCQSGMSSQOLTPE-CYBMUJFWSA-N 1 3 276.449 3.321 20 0 CGADHO CSc1ccccc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000442856176 373105519 /nfs/dbraw/zinc/10/55/19/373105519.db2.gz OCQSGMSSQOLTPE-CYBMUJFWSA-N 1 3 276.449 3.321 20 0 CGADHO CC(C)Oc1ccccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000442920370 373127400 /nfs/dbraw/zinc/12/74/00/373127400.db2.gz KZPUJQAGDOHDND-HNNXBMFYSA-N 1 3 276.424 3.035 20 0 CGADHO [NH3+]CC[C@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000442918083 373128634 /nfs/dbraw/zinc/12/86/34/373128634.db2.gz FSBJUXVFIVCQCI-CXLRFSCWSA-N 1 3 280.362 3.039 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000444638536 373216835 /nfs/dbraw/zinc/21/68/35/373216835.db2.gz JEAFCLHRAXGDGE-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000444638536 373216842 /nfs/dbraw/zinc/21/68/42/373216842.db2.gz JEAFCLHRAXGDGE-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000444638536 373216850 /nfs/dbraw/zinc/21/68/50/373216850.db2.gz JEAFCLHRAXGDGE-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO CCc1ccccc1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000444638536 373216857 /nfs/dbraw/zinc/21/68/57/373216857.db2.gz JEAFCLHRAXGDGE-RTBURBONSA-N 1 3 286.463 3.208 20 0 CGADHO FC(F)(F)C[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000444698360 373242150 /nfs/dbraw/zinc/24/21/50/373242150.db2.gz CDAYNYMGVYZULT-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO FC(F)(F)C[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000444698360 373242153 /nfs/dbraw/zinc/24/21/53/373242153.db2.gz CDAYNYMGVYZULT-ZDUSSCGKSA-N 1 3 278.362 3.137 20 0 CGADHO Cc1ccc2nccc(N3CCC([NH+](C)C)CC3)c2c1 ZINC000302172966 373824821 /nfs/dbraw/zinc/82/48/21/373824821.db2.gz VQVKMBDYPHEWES-UHFFFAOYSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1cccnc1CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449487755 373778119 /nfs/dbraw/zinc/77/81/19/373778119.db2.gz ZBDRHUSRDUYIQM-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO Cc1cccnc1CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000449487755 373778130 /nfs/dbraw/zinc/77/81/30/373778130.db2.gz ZBDRHUSRDUYIQM-UHFFFAOYSA-N 1 3 289.467 3.175 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000180041793 373957377 /nfs/dbraw/zinc/95/73/77/373957377.db2.gz VOIZTZPAXCCXRW-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000180041793 373957381 /nfs/dbraw/zinc/95/73/81/373957381.db2.gz VOIZTZPAXCCXRW-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000451405758 374199901 /nfs/dbraw/zinc/19/99/01/374199901.db2.gz ISQIWSIKDJSDFD-AGIUHOORSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000451405758 374199908 /nfs/dbraw/zinc/19/99/08/374199908.db2.gz ISQIWSIKDJSDFD-AGIUHOORSA-N 1 3 278.362 3.134 20 0 CGADHO NCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC(F)(F)C1 ZINC000309823290 374200071 /nfs/dbraw/zinc/20/00/71/374200071.db2.gz GTYVFZAWBPWUBF-OAHLLOKOSA-N 1 3 282.378 3.273 20 0 CGADHO NCCC[N@H+](Cc1ccccc1)C[C@@H]1CCC(F)(F)C1 ZINC000309823290 374200075 /nfs/dbraw/zinc/20/00/75/374200075.db2.gz GTYVFZAWBPWUBF-OAHLLOKOSA-N 1 3 282.378 3.273 20 0 CGADHO [NH3+]CCCN(Cc1ccccc1)C[C@@H]1CCC(F)(F)C1 ZINC000309823290 374200079 /nfs/dbraw/zinc/20/00/79/374200079.db2.gz GTYVFZAWBPWUBF-OAHLLOKOSA-N 1 3 282.378 3.273 20 0 CGADHO COc1ccc([C@H](NCC[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC000182059931 374210680 /nfs/dbraw/zinc/21/06/80/374210680.db2.gz YALFEIJAUUFAIQ-SJLPKXTDSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@H](NCC[C@H]2CCC[N@H+]2C)C(C)C)cc1 ZINC000182059931 374210686 /nfs/dbraw/zinc/21/06/86/374210686.db2.gz YALFEIJAUUFAIQ-SJLPKXTDSA-N 1 3 290.451 3.466 20 0 CGADHO COc1ccc([C@H]([NH2+]CC[C@H]2CCCN2C)C(C)C)cc1 ZINC000182059931 374210690 /nfs/dbraw/zinc/21/06/90/374210690.db2.gz YALFEIJAUUFAIQ-SJLPKXTDSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)CN(C)C ZINC000310744364 374223263 /nfs/dbraw/zinc/22/32/63/374223263.db2.gz IKGADGVELRLICW-OLZOCXBDSA-N 1 3 268.832 3.058 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181907274 374190343 /nfs/dbraw/zinc/19/03/43/374190343.db2.gz DEGHLFZGFPZSGX-OAHLLOKOSA-N 1 3 294.414 3.217 20 0 CGADHO CC[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccncc1 ZINC000453099523 374365311 /nfs/dbraw/zinc/36/53/11/374365311.db2.gz WFZIKPHUPSGGHY-QGZVFWFLSA-N 1 3 275.440 3.244 20 0 CGADHO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453303806 374404427 /nfs/dbraw/zinc/40/44/27/374404427.db2.gz DFGHIBMQMBASBD-INMHGKMJSA-N 1 3 290.451 3.324 20 0 CGADHO CC(C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183192391 374383959 /nfs/dbraw/zinc/38/39/59/374383959.db2.gz CPORKUXKBBVSLK-QLFBSQMISA-N 1 3 252.446 3.274 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453344938 374436360 /nfs/dbraw/zinc/43/63/60/374436360.db2.gz JLXPKAACGYPYTR-KRWWSPQJSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453344938 374436364 /nfs/dbraw/zinc/43/63/64/374436364.db2.gz JLXPKAACGYPYTR-KRWWSPQJSA-N 1 3 270.420 3.197 20 0 CGADHO CC[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1c(C)noc1C ZINC000090887327 541965570 /nfs/dbraw/zinc/96/55/70/541965570.db2.gz HRJUUVFXQNDZRN-NHYWBVRUSA-N 1 3 279.428 3.062 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)C1CCC1 ZINC000090856523 541964811 /nfs/dbraw/zinc/96/48/11/541964811.db2.gz BOJLPJCKQMUYDB-CABCVRRESA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000090856447 541964841 /nfs/dbraw/zinc/96/48/41/541964841.db2.gz ZFWLHCNUNFSBQC-LSDHHAIUSA-N 1 3 290.451 3.466 20 0 CGADHO COCCCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185681300 374713826 /nfs/dbraw/zinc/71/38/26/374713826.db2.gz JEMUYHOFNJYLNJ-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)CC1 ZINC000334581484 374881507 /nfs/dbraw/zinc/88/15/07/374881507.db2.gz JMMAHWRXUBUAKL-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)CC1 ZINC000334581484 374881515 /nfs/dbraw/zinc/88/15/15/374881515.db2.gz JMMAHWRXUBUAKL-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000334581484 374881520 /nfs/dbraw/zinc/88/15/20/374881520.db2.gz JMMAHWRXUBUAKL-KGLIPLIRSA-N 1 3 274.399 3.228 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000335032733 375081135 /nfs/dbraw/zinc/08/11/35/375081135.db2.gz ZEVHCRHSMXEDAI-RAFNIBEQSA-N 1 3 282.790 3.137 20 0 CGADHO CCc1cccc(F)c1CN1CCC(C[NH+](C)C)CC1 ZINC000474150282 375085170 /nfs/dbraw/zinc/08/51/70/375085170.db2.gz IJOLRFAOBNYKIA-UHFFFAOYSA-N 1 3 278.415 3.162 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000487279931 375217605 /nfs/dbraw/zinc/21/76/05/375217605.db2.gz WVWMPVCGXPKXPZ-HRCADAONSA-N 1 3 284.513 3.230 20 0 CGADHO CCc1ccccc1C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000189078526 375319775 /nfs/dbraw/zinc/31/97/75/375319775.db2.gz LSZFAHFGXZMQHS-OAHLLOKOSA-N 1 3 260.425 3.023 20 0 CGADHO CCc1ccccc1C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000189078526 375319781 /nfs/dbraw/zinc/31/97/81/375319781.db2.gz LSZFAHFGXZMQHS-OAHLLOKOSA-N 1 3 260.425 3.023 20 0 CGADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335412722 375273309 /nfs/dbraw/zinc/27/33/09/375273309.db2.gz ADJKKPZNMVPFHW-CJNGLKHVSA-N 1 3 250.430 3.172 20 0 CGADHO COc1cccc(F)c1[C@H](C)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000122527797 542023885 /nfs/dbraw/zinc/02/38/85/542023885.db2.gz PLWGOQQBKJHHSU-STQMWFEESA-N 1 3 294.414 3.215 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2ncccc2CC)CC1 ZINC000507461779 375703651 /nfs/dbraw/zinc/70/36/51/375703651.db2.gz NBDDZFMCWRSEOR-HNNXBMFYSA-N 1 3 289.467 3.417 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)CN1CCCC1 ZINC000192698629 375780818 /nfs/dbraw/zinc/78/08/18/375780818.db2.gz YYRIYRVTQRZXRZ-CRAIPNDOSA-N 1 3 287.451 3.255 20 0 CGADHO CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192686875 375779372 /nfs/dbraw/zinc/77/93/72/375779372.db2.gz OMFONSJJTSVSHT-ALOPSCKCSA-N 1 3 288.435 3.190 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2cccc3cccnc32)CC1 ZINC000336514080 375801659 /nfs/dbraw/zinc/80/16/59/375801659.db2.gz RXGWGZCSJHPBJQ-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2cccc3cccnc32)CC1 ZINC000336514080 375801667 /nfs/dbraw/zinc/80/16/67/375801667.db2.gz RXGWGZCSJHPBJQ-UHFFFAOYSA-N 1 3 295.430 3.295 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000192925949 375803667 /nfs/dbraw/zinc/80/36/67/375803667.db2.gz MLPSRQHUNKAFTF-INIZCTEOSA-N 1 3 298.434 3.009 20 0 CGADHO FC(F)C1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000336406192 375791581 /nfs/dbraw/zinc/79/15/81/375791581.db2.gz FDIBUJVCQIQLMP-PQAZSJQKSA-N 1 3 272.383 3.027 20 0 CGADHO C[C@H](NCc1cc2c(s1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000520564944 375864370 /nfs/dbraw/zinc/86/43/70/375864370.db2.gz OZQWYBJFURUZJP-JSGCOSHPSA-N 1 3 278.465 3.105 20 0 CGADHO FCCCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000336657326 375896923 /nfs/dbraw/zinc/89/69/23/375896923.db2.gz QAICRMCYWPZYHG-KZNAEPCWSA-N 1 3 290.426 3.236 20 0 CGADHO Cc1sccc1C[NH2+]CCCN1CCCCC1 ZINC000336722764 375921145 /nfs/dbraw/zinc/92/11/45/375921145.db2.gz TVDKQWHAFJSGPN-UHFFFAOYSA-N 1 3 252.427 3.022 20 0 CGADHO Cc1cc(C)cc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)c1 ZINC000537105593 376147573 /nfs/dbraw/zinc/14/75/73/376147573.db2.gz OCMKMSOEHSKUSV-RDJZCZTQSA-N 1 3 260.425 3.438 20 0 CGADHO COc1ccc2cc(CN3C[C@@H](C[NH3+])C[C@@H]3C)ccc2c1 ZINC000215977138 376154043 /nfs/dbraw/zinc/15/40/43/376154043.db2.gz DKIPQNIHRMVCEG-DZGCQCFKSA-N 1 3 284.403 3.018 20 0 CGADHO C[C@@H](c1ccccc1F)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357092780 296239629 /nfs/dbraw/zinc/23/96/29/296239629.db2.gz XMMCTQKWPADSJD-ZFWWWQNUSA-N 1 3 276.399 3.208 20 0 CGADHO CC(C)OC[C@@H](C)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000337340231 376213647 /nfs/dbraw/zinc/21/36/47/376213647.db2.gz PFQJOKKPPGYPNX-IAGOWNOFSA-N 1 3 292.467 3.300 20 0 CGADHO CC(C)OC[C@@H](C)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000337340231 376213655 /nfs/dbraw/zinc/21/36/55/376213655.db2.gz PFQJOKKPPGYPNX-IAGOWNOFSA-N 1 3 292.467 3.300 20 0 CGADHO CC(C)OC[C@@H](C)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000337343732 376214351 /nfs/dbraw/zinc/21/43/51/376214351.db2.gz SOUWXWUBJKQVMH-MRXNPFEDSA-N 1 3 292.467 3.430 20 0 CGADHO CC(C)OC[C@@H](C)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000337343732 376214356 /nfs/dbraw/zinc/21/43/56/376214356.db2.gz SOUWXWUBJKQVMH-MRXNPFEDSA-N 1 3 292.467 3.430 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000224117569 376272394 /nfs/dbraw/zinc/27/23/94/376272394.db2.gz CQFROLIRZRFFTA-RWMBFGLXSA-N 1 3 266.454 3.444 20 0 CGADHO CCc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000224117569 376272399 /nfs/dbraw/zinc/27/23/99/376272399.db2.gz CQFROLIRZRFFTA-RWMBFGLXSA-N 1 3 266.454 3.444 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@H](C)C2(CCC2)C1 ZINC000338276613 376308781 /nfs/dbraw/zinc/30/87/81/376308781.db2.gz BTUNQUDXKKQCFA-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000338276613 376308784 /nfs/dbraw/zinc/30/87/84/376308784.db2.gz BTUNQUDXKKQCFA-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000338276613 376308792 /nfs/dbraw/zinc/30/87/92/376308792.db2.gz BTUNQUDXKKQCFA-HNNXBMFYSA-N 1 3 252.446 3.230 20 0 CGADHO CO[C@H]1CCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000541908947 376493283 /nfs/dbraw/zinc/49/32/83/376493283.db2.gz WSMFRYRQLOQVAO-QAPCUYQASA-N 1 3 294.483 3.188 20 0 CGADHO C[N@H+](CCC1CC1)[C@H]1CCCN(CCC2CC2)CC1 ZINC000338938786 376586662 /nfs/dbraw/zinc/58/66/62/376586662.db2.gz LXRINCSALCJRBB-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@@H+](CCC1CC1)[C@H]1CCCN(CCC2CC2)CC1 ZINC000338938786 376586669 /nfs/dbraw/zinc/58/66/69/376586669.db2.gz LXRINCSALCJRBB-KRWDZBQOSA-N 1 3 264.457 3.373 20 0 CGADHO CCCC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000232932596 376592936 /nfs/dbraw/zinc/59/29/36/376592936.db2.gz GDMLGBSXHGQVKX-UHFFFAOYSA-N 1 3 273.424 3.220 20 0 CGADHO COC1(CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CCC1 ZINC000339085118 376670166 /nfs/dbraw/zinc/67/01/66/376670166.db2.gz PBYXMZDRWHOLEY-HOTGVXAUSA-N 1 3 294.483 3.188 20 0 CGADHO c1ccc(SCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339069864 376661043 /nfs/dbraw/zinc/66/10/43/376661043.db2.gz YAXQOGONAVRDMZ-HZPDHXFCSA-N 1 3 290.476 3.385 20 0 CGADHO c1ccc(SCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069864 376661051 /nfs/dbraw/zinc/66/10/51/376661051.db2.gz YAXQOGONAVRDMZ-HZPDHXFCSA-N 1 3 290.476 3.385 20 0 CGADHO CCCC[C@H](CC)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544894818 376769858 /nfs/dbraw/zinc/76/98/58/376769858.db2.gz WUKUKFMKLWNYFH-BSDSXHPESA-N 1 3 296.499 3.386 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000245433061 376814989 /nfs/dbraw/zinc/81/49/89/376814989.db2.gz BPGYMCLWCKIAMF-SJLPKXTDSA-N 1 3 274.452 3.281 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000245433061 376814995 /nfs/dbraw/zinc/81/49/95/376814995.db2.gz BPGYMCLWCKIAMF-SJLPKXTDSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@H](C)CCc2ccccc2)C1 ZINC000245433061 376815002 /nfs/dbraw/zinc/81/50/02/376815002.db2.gz BPGYMCLWCKIAMF-SJLPKXTDSA-N 1 3 274.452 3.281 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@H](C)CCc2ccccc2)C1 ZINC000245433061 376815006 /nfs/dbraw/zinc/81/50/06/376815006.db2.gz BPGYMCLWCKIAMF-SJLPKXTDSA-N 1 3 274.452 3.281 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)C1 ZINC000245935650 376938269 /nfs/dbraw/zinc/93/82/69/376938269.db2.gz TXPILVMUFXIMHP-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306449 377008396 /nfs/dbraw/zinc/00/83/96/377008396.db2.gz DLVIPVJULYSJBT-HOTGVXAUSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306449 377008400 /nfs/dbraw/zinc/00/84/00/377008400.db2.gz DLVIPVJULYSJBT-HOTGVXAUSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246306449 377008406 /nfs/dbraw/zinc/00/84/06/377008406.db2.gz DLVIPVJULYSJBT-HOTGVXAUSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246731976 377078544 /nfs/dbraw/zinc/07/85/44/377078544.db2.gz MEFGOJRIDPMJFZ-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(C)c(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246731976 377078550 /nfs/dbraw/zinc/07/85/50/377078550.db2.gz MEFGOJRIDPMJFZ-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000559431815 377087554 /nfs/dbraw/zinc/08/75/54/377087554.db2.gz AGNABHSQZLCPTJ-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000559431815 377087559 /nfs/dbraw/zinc/08/75/59/377087559.db2.gz AGNABHSQZLCPTJ-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CC[N@@H+]1CC[C@H](NCCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000247019426 377140386 /nfs/dbraw/zinc/14/03/86/377140386.db2.gz MTMKKPAJVSBCBM-AAEUAGOBSA-N 1 3 286.872 3.264 20 0 CGADHO CC[N@H+]1CC[C@H](NCCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000247019426 377140392 /nfs/dbraw/zinc/14/03/92/377140392.db2.gz MTMKKPAJVSBCBM-AAEUAGOBSA-N 1 3 286.872 3.264 20 0 CGADHO C[N@@H+]1CC[C@H](NCCSc2ccccc2)[C@H]2CCC[C@H]21 ZINC000560521385 377163643 /nfs/dbraw/zinc/16/36/43/377163643.db2.gz KPGFFNAHAHQIMS-IXDOHACOSA-N 1 3 290.476 3.241 20 0 CGADHO C[N@H+]1CC[C@H](NCCSc2ccccc2)[C@H]2CCC[C@H]21 ZINC000560521385 377163649 /nfs/dbraw/zinc/16/36/49/377163649.db2.gz KPGFFNAHAHQIMS-IXDOHACOSA-N 1 3 290.476 3.241 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247983900 377252639 /nfs/dbraw/zinc/25/26/39/377252639.db2.gz IQQKWOYMQXWLAJ-UKPHBRMFSA-N 1 3 276.399 3.303 20 0 CGADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247983900 377252651 /nfs/dbraw/zinc/25/26/51/377252651.db2.gz IQQKWOYMQXWLAJ-UKPHBRMFSA-N 1 3 276.399 3.303 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000563443543 377468354 /nfs/dbraw/zinc/46/83/54/377468354.db2.gz URRJPVVGXBKFDO-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCCC12CC2 ZINC000563444011 377468427 /nfs/dbraw/zinc/46/84/27/377468427.db2.gz XVIWVWMTWSJRGK-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249175118 377474457 /nfs/dbraw/zinc/47/44/57/377474457.db2.gz DTJPJDJKIJGNAS-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249175118 377474467 /nfs/dbraw/zinc/47/44/67/377474467.db2.gz DTJPJDJKIJGNAS-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)Cc2ccccc2F)C1 ZINC000249175118 377474478 /nfs/dbraw/zinc/47/44/78/377474478.db2.gz DTJPJDJKIJGNAS-CABCVRRESA-N 1 3 278.415 3.078 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1cccs1 ZINC000166706179 542175630 /nfs/dbraw/zinc/17/56/30/542175630.db2.gz AEQWBBHDBYSHFD-SOUVJXGZSA-N 1 3 278.465 3.143 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cccs1 ZINC000166706179 542175631 /nfs/dbraw/zinc/17/56/31/542175631.db2.gz AEQWBBHDBYSHFD-SOUVJXGZSA-N 1 3 278.465 3.143 20 0 CGADHO Fc1cccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166665833 542174630 /nfs/dbraw/zinc/17/46/30/542174630.db2.gz NCWYLZYAPIZDPL-IAGOWNOFSA-N 1 3 288.410 3.074 20 0 CGADHO Fc1cccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166665833 542174632 /nfs/dbraw/zinc/17/46/32/542174632.db2.gz NCWYLZYAPIZDPL-IAGOWNOFSA-N 1 3 288.410 3.074 20 0 CGADHO c1ccc(SCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250530972 377561490 /nfs/dbraw/zinc/56/14/90/377561490.db2.gz DWABJVOKDASVIU-BRWVUGGUSA-N 1 3 290.476 3.289 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCc2ccc(F)cc21 ZINC000515164999 249203389 /nfs/dbraw/zinc/20/33/89/249203389.db2.gz HOVZSTQHQBUDHD-XIKOKIGWSA-N 1 3 299.393 3.326 20 0 CGADHO C[C@H](CC[N@@H+]1CCCC[C@H]1CCN)c1ccccc1 ZINC000251239495 377578613 /nfs/dbraw/zinc/57/86/13/377578613.db2.gz RXRLIYTVQZFIMY-WBVHZDCISA-N 1 3 260.425 3.384 20 0 CGADHO C[C@H](CC[N@H+]1CCCC[C@H]1CCN)c1ccccc1 ZINC000251239495 377578626 /nfs/dbraw/zinc/57/86/26/377578626.db2.gz RXRLIYTVQZFIMY-WBVHZDCISA-N 1 3 260.425 3.384 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@@H](C)[C@H]2CCCNC2)c(C)c1 ZINC000515413119 249211448 /nfs/dbraw/zinc/21/14/48/249211448.db2.gz IIYDFYXEINVQRD-IRXDYDNUSA-N 1 3 274.452 3.132 20 0 CGADHO Cc1cc(C)c(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000515413119 249211452 /nfs/dbraw/zinc/21/14/52/249211452.db2.gz IIYDFYXEINVQRD-IRXDYDNUSA-N 1 3 274.452 3.132 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870502 249222729 /nfs/dbraw/zinc/22/27/29/249222729.db2.gz ZTBVJWZNAZXSRI-TUUVXOQKSA-N 1 3 278.827 3.446 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 ZINC000515870502 249222731 /nfs/dbraw/zinc/22/27/31/249222731.db2.gz ZTBVJWZNAZXSRI-TUUVXOQKSA-N 1 3 278.827 3.446 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000574039754 377612013 /nfs/dbraw/zinc/61/20/13/377612013.db2.gz PWRRNRDNZKDKIJ-SDDRHHMPSA-N 1 3 254.805 3.159 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)c1cccc(Cl)c1 ZINC000574039754 377612016 /nfs/dbraw/zinc/61/20/16/377612016.db2.gz PWRRNRDNZKDKIJ-SDDRHHMPSA-N 1 3 254.805 3.159 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000252513573 377636301 /nfs/dbraw/zinc/63/63/01/377636301.db2.gz YSOXSKPVBMOHDK-UGUYLWEFSA-N 1 3 250.430 3.172 20 0 CGADHO COc1cccc([C@@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000574324640 377647565 /nfs/dbraw/zinc/64/75/65/377647565.db2.gz YIAICFYIXDWMNC-CYBMUJFWSA-N 1 3 270.376 3.005 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCSc2ccccc21 ZINC000252716226 377654517 /nfs/dbraw/zinc/65/45/17/377654517.db2.gz XYQDMUVCWYDRLA-YUELXQCFSA-N 1 3 276.449 3.153 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCSc2ccccc21 ZINC000252716226 377654521 /nfs/dbraw/zinc/65/45/21/377654521.db2.gz XYQDMUVCWYDRLA-YUELXQCFSA-N 1 3 276.449 3.153 20 0 CGADHO Cc1oc2ccccc2c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252870852 377667468 /nfs/dbraw/zinc/66/74/68/377667468.db2.gz SPBICJDPSXDMIG-JQFCIGGWSA-N 1 3 284.403 3.300 20 0 CGADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3csc4ccccc34)C[C@H]12 ZINC000261631277 377828384 /nfs/dbraw/zinc/82/83/84/377828384.db2.gz WAKUGTJNCITBMJ-BYCMXARLSA-N 1 3 272.417 3.070 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261686213 377838344 /nfs/dbraw/zinc/83/83/44/377838344.db2.gz ARFNXLKBWQONLF-DLBZAZTESA-N 1 3 278.415 3.454 20 0 CGADHO CC[C@H]1CCC[C@H](CN2CCC([NH+](C)C)CC2)C1 ZINC000182998034 542227635 /nfs/dbraw/zinc/22/76/35/542227635.db2.gz STKWTFUOVBKOMW-GJZGRUSLSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261734693 377847808 /nfs/dbraw/zinc/84/78/08/377847808.db2.gz LODHVWAUZWDSDP-BHYGNILZSA-N 1 3 272.436 3.153 20 0 CGADHO C[C@]1(CN2CCCC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261751357 377849914 /nfs/dbraw/zinc/84/99/14/377849914.db2.gz JWEGKZWNGNXXPO-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000262543280 377899826 /nfs/dbraw/zinc/89/98/26/377899826.db2.gz RJDOWLPGYQNKCK-GDBMZVCRSA-N 1 3 298.430 3.265 20 0 CGADHO c1ccc2cc(CCN3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000575749410 377987717 /nfs/dbraw/zinc/98/77/17/377987717.db2.gz ROSDOHKYNACFII-FQEVSTJZSA-N 1 3 294.442 3.458 20 0 CGADHO c1ccc2cc(CC[N@@H+]3CC[C@@]4(C3)CCCNC4)ccc2c1 ZINC000575749410 377987719 /nfs/dbraw/zinc/98/77/19/377987719.db2.gz ROSDOHKYNACFII-FQEVSTJZSA-N 1 3 294.442 3.458 20 0 CGADHO c1ccc2cc(CC[N@H+]3CC[C@@]4(C3)CCCNC4)ccc2c1 ZINC000575749410 377987722 /nfs/dbraw/zinc/98/77/22/377987722.db2.gz ROSDOHKYNACFII-FQEVSTJZSA-N 1 3 294.442 3.458 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCOc2cccc3ccccc32)C1 ZINC000578549705 378080511 /nfs/dbraw/zinc/08/05/11/378080511.db2.gz XCLNGINYJKRFRH-HOTGVXAUSA-N 1 3 284.403 3.078 20 0 CGADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Sc1ccccc1 ZINC000578668473 378090358 /nfs/dbraw/zinc/09/03/58/378090358.db2.gz DLJAFIUAVWNEFR-MCIONIFRSA-N 1 3 264.438 3.027 20 0 CGADHO CC[NH2+]CCCN[C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000578878292 378109220 /nfs/dbraw/zinc/10/92/20/378109220.db2.gz LDBBAILFWMNUSX-OLZOCXBDSA-N 1 3 291.464 3.378 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCSC ZINC000360960467 284690291 /nfs/dbraw/zinc/69/02/91/284690291.db2.gz YMLXYMBZKQZBGQ-LSDHHAIUSA-N 1 3 272.502 3.230 20 0 CGADHO C[C@@H](C[NH2+]CCCN1CCCC1)c1ccc(F)cc1 ZINC000345362159 378268706 /nfs/dbraw/zinc/26/87/06/378268706.db2.gz BZAOXRKLFNIXIX-AWEZNQCLSA-N 1 3 264.388 3.005 20 0 CGADHO C[C@@H](CNCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000345362159 378268712 /nfs/dbraw/zinc/26/87/12/378268712.db2.gz BZAOXRKLFNIXIX-AWEZNQCLSA-N 1 3 264.388 3.005 20 0 CGADHO CC(C)[NH+]1CCC(N(C)Cc2cccc3cc[nH]c32)CC1 ZINC000271031246 378434478 /nfs/dbraw/zinc/43/44/78/378434478.db2.gz HHDKLFXDXIYKTG-UHFFFAOYSA-N 1 3 285.435 3.473 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000346291792 378533878 /nfs/dbraw/zinc/53/38/78/378533878.db2.gz IITSQARTJJNRCM-AWEZNQCLSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCCS2)CC1 ZINC000346291792 378533881 /nfs/dbraw/zinc/53/38/81/378533881.db2.gz IITSQARTJJNRCM-AWEZNQCLSA-N 1 3 270.486 3.125 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N2CCCCC2)C12CCC2 ZINC000346857346 378694713 /nfs/dbraw/zinc/69/47/13/378694713.db2.gz GAKFQKGBGDKOMZ-GVDBMIGSSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000346857346 378694717 /nfs/dbraw/zinc/69/47/17/378694717.db2.gz GAKFQKGBGDKOMZ-GVDBMIGSSA-N 1 3 294.483 3.188 20 0 CGADHO C[NH+](C)CCC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000637965065 378648938 /nfs/dbraw/zinc/64/89/38/378648938.db2.gz OWICCTVYJFCEHG-UHFFFAOYSA-N 1 3 297.393 3.183 20 0 CGADHO Cc1ccoc1CNCCCCC[NH+]1CCCCC1 ZINC000266214533 190240432 /nfs/dbraw/zinc/24/04/32/190240432.db2.gz PMSVUPXBQVZOJB-UHFFFAOYSA-N 1 3 264.413 3.334 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2CCCC[C@H]2C)sn1 ZINC000638367364 378780813 /nfs/dbraw/zinc/78/08/13/378780813.db2.gz UOZNTSOHQMHFIW-CQSZACIVSA-N 1 3 281.469 3.196 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)sn1 ZINC000638367364 378780822 /nfs/dbraw/zinc/78/08/22/378780822.db2.gz UOZNTSOHQMHFIW-CQSZACIVSA-N 1 3 281.469 3.196 20 0 CGADHO COCC1(C[NH2+]C2CCN(CC3CCCC3)CC2)CCC1 ZINC000638455600 378809920 /nfs/dbraw/zinc/80/99/20/378809920.db2.gz WEGCEIGVEQLJCR-UHFFFAOYSA-N 1 3 294.483 3.047 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158040 378817683 /nfs/dbraw/zinc/81/76/83/378817683.db2.gz HAZIMZBZXKNERC-AEFFLSMTSA-N 1 3 288.435 3.014 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348158040 378817687 /nfs/dbraw/zinc/81/76/87/378817687.db2.gz HAZIMZBZXKNERC-AEFFLSMTSA-N 1 3 288.435 3.014 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@H]2CCC[NH2+]C2)s1 ZINC000346827139 218026682 /nfs/dbraw/zinc/02/66/82/218026682.db2.gz FXNJHBPEKBZKAD-KBPBESRZSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)s1 ZINC000346827139 218026683 /nfs/dbraw/zinc/02/66/83/218026683.db2.gz FXNJHBPEKBZKAD-KBPBESRZSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)s1 ZINC000346827139 218026686 /nfs/dbraw/zinc/02/66/86/218026686.db2.gz FXNJHBPEKBZKAD-KBPBESRZSA-N 1 3 264.438 3.193 20 0 CGADHO CC(C)O[C@@H](CNC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000638589747 378843781 /nfs/dbraw/zinc/84/37/81/378843781.db2.gz XUHSTZGSEYOHOT-WMZOPIPTSA-N 1 3 290.451 3.084 20 0 CGADHO CC(C)O[C@@H](CNC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000638589747 378843786 /nfs/dbraw/zinc/84/37/86/378843786.db2.gz XUHSTZGSEYOHOT-WMZOPIPTSA-N 1 3 290.451 3.084 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)c1 ZINC000346846228 218034891 /nfs/dbraw/zinc/03/48/91/218034891.db2.gz NNTTZVPXNQJEDD-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)c1 ZINC000346846228 218034892 /nfs/dbraw/zinc/03/48/92/218034892.db2.gz NNTTZVPXNQJEDD-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@H]2CCC[NH2+]C2)c1 ZINC000346846228 218034893 /nfs/dbraw/zinc/03/48/93/218034893.db2.gz NNTTZVPXNQJEDD-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638720248 378887443 /nfs/dbraw/zinc/88/74/43/378887443.db2.gz IYVVXVGSVVOACM-MUJYYYPQSA-N 1 3 276.468 3.419 20 0 CGADHO CC(C)COc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347064099 218110495 /nfs/dbraw/zinc/11/04/95/218110495.db2.gz JIZZDYZFYXPTPS-HNNXBMFYSA-N 1 3 290.451 3.281 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000278584398 194055201 /nfs/dbraw/zinc/05/52/01/194055201.db2.gz QEUIAFDRUDMISM-UKRRQHHQSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000278584398 194055203 /nfs/dbraw/zinc/05/52/03/194055203.db2.gz QEUIAFDRUDMISM-UKRRQHHQSA-N 1 3 296.480 3.208 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000347195862 218151968 /nfs/dbraw/zinc/15/19/68/218151968.db2.gz HIMDYOPDZLUUEN-ONEGZZNKSA-N 1 3 276.399 3.160 20 0 CGADHO Cc1cc(C)c(/C=C/C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1C ZINC000639113211 379036655 /nfs/dbraw/zinc/03/66/55/379036655.db2.gz KYYNLNOPNMBGQJ-QCUQMOABSA-N 1 3 284.447 3.118 20 0 CGADHO Cc1cc(C)c(/C=C/C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1C ZINC000639113211 379036657 /nfs/dbraw/zinc/03/66/57/379036657.db2.gz KYYNLNOPNMBGQJ-QCUQMOABSA-N 1 3 284.447 3.118 20 0 CGADHO CCc1ccccc1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277065582 379057577 /nfs/dbraw/zinc/05/75/77/379057577.db2.gz DJEDKLWSPGNQCS-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1ccccc1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277065582 379057589 /nfs/dbraw/zinc/05/75/89/379057589.db2.gz DJEDKLWSPGNQCS-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO Clc1ccsc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278688665 194102918 /nfs/dbraw/zinc/10/29/18/194102918.db2.gz IODWQAXQUGGYOI-UHFFFAOYSA-N 1 3 284.856 3.366 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000277240480 379108202 /nfs/dbraw/zinc/10/82/02/379108202.db2.gz ZSKJMIOXEVZSRN-HIFRSBDPSA-N 1 3 294.389 3.427 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000277240480 379108208 /nfs/dbraw/zinc/10/82/08/379108208.db2.gz ZSKJMIOXEVZSRN-HIFRSBDPSA-N 1 3 294.389 3.427 20 0 CGADHO Cc1ccc(CCC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277303279 379125368 /nfs/dbraw/zinc/12/53/68/379125368.db2.gz UHFPZDIOCSFESL-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277303279 379125375 /nfs/dbraw/zinc/12/53/75/379125375.db2.gz UHFPZDIOCSFESL-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO Cc1ccc(CCCN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277303279 379125386 /nfs/dbraw/zinc/12/53/86/379125386.db2.gz UHFPZDIOCSFESL-GOSISDBHSA-N 1 3 274.452 3.344 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(CC2CCSCC2)CC1 ZINC000639376179 379333672 /nfs/dbraw/zinc/33/36/72/379333672.db2.gz XBFWIJWJRHYFKQ-UHFFFAOYSA-N 1 3 296.524 3.470 20 0 CGADHO C[C@@H](CC[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000278465711 379396766 /nfs/dbraw/zinc/39/67/66/379396766.db2.gz GFXYPUWWVDAXAF-HNNXBMFYSA-N 1 3 258.409 3.032 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570192831 322267189 /nfs/dbraw/zinc/26/71/89/322267189.db2.gz NEWCEBVYXJTDNA-RBSFLKMASA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570192831 322267191 /nfs/dbraw/zinc/26/71/91/322267191.db2.gz NEWCEBVYXJTDNA-RBSFLKMASA-N 1 3 284.513 3.227 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570192831 322267192 /nfs/dbraw/zinc/26/71/92/322267192.db2.gz NEWCEBVYXJTDNA-RBSFLKMASA-N 1 3 284.513 3.227 20 0 CGADHO Cc1ccc(C[N@@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377700607 379726416 /nfs/dbraw/zinc/72/64/16/379726416.db2.gz NRXUOFJQVGBYRW-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO Cc1ccc(C[N@H+](C)C2CCN(c3ccncc3)CC2)cc1 ZINC000377700607 379726424 /nfs/dbraw/zinc/72/64/24/379726424.db2.gz NRXUOFJQVGBYRW-UHFFFAOYSA-N 1 3 295.430 3.491 20 0 CGADHO C[C@H](c1cccnc1)N(C)CCCC[NH+]1CCCCC1 ZINC000640530985 379819695 /nfs/dbraw/zinc/81/96/95/379819695.db2.gz KPBCDDPUUDSUJE-MRXNPFEDSA-N 1 3 275.440 3.341 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000394470014 379919917 /nfs/dbraw/zinc/91/99/17/379919917.db2.gz DVLUKFLPZJCGPL-MCIONIFRSA-N 1 3 272.383 3.028 20 0 CGADHO FC1(F)CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000394470014 379919923 /nfs/dbraw/zinc/91/99/23/379919923.db2.gz DVLUKFLPZJCGPL-MCIONIFRSA-N 1 3 272.383 3.028 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282331702 379899348 /nfs/dbraw/zinc/89/93/48/379899348.db2.gz OFFFMJWJENETES-RBSFLKMASA-N 1 3 297.446 3.098 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000401585432 379956357 /nfs/dbraw/zinc/95/63/57/379956357.db2.gz MQONKJZPRVGMET-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO CN(CCCCC1CCOCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000410393083 380093772 /nfs/dbraw/zinc/09/37/72/380093772.db2.gz SORXRYGRALMYED-GOSISDBHSA-N 1 3 296.499 3.390 20 0 CGADHO CN(CCCCC1CCOCC1)CC[C@H]1CCCC[N@H+]1C ZINC000410393083 380093774 /nfs/dbraw/zinc/09/37/74/380093774.db2.gz SORXRYGRALMYED-GOSISDBHSA-N 1 3 296.499 3.390 20 0 CGADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643031672 380204872 /nfs/dbraw/zinc/20/48/72/380204872.db2.gz VBPWSYQHDZRFQL-GDBMZVCRSA-N 1 3 281.403 3.040 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1C[C@H]1C ZINC000414118007 380192233 /nfs/dbraw/zinc/19/22/33/380192233.db2.gz UDMKJJVSOFOYJH-CPUCHLNUSA-N 1 3 264.457 3.418 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1ccc(Cl)cc1 ZINC000643076735 380212677 /nfs/dbraw/zinc/21/26/77/380212677.db2.gz LVKOLLDAYRYOMR-OAHLLOKOSA-N 1 3 296.842 3.087 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCCCOc1ccc(Cl)cc1 ZINC000643076735 380212681 /nfs/dbraw/zinc/21/26/81/380212681.db2.gz LVKOLLDAYRYOMR-OAHLLOKOSA-N 1 3 296.842 3.087 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1C(C)(C)C1(C)C ZINC000353928772 380241230 /nfs/dbraw/zinc/24/12/30/380241230.db2.gz LNCLLZVBZRYTSX-BFHYXJOUSA-N 1 3 264.457 3.274 20 0 CGADHO Cc1ccccc1C[C@H](NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643502415 380327007 /nfs/dbraw/zinc/32/70/07/380327007.db2.gz FQUWQQGYDIVECP-ROUUACIJSA-N 1 3 272.436 3.048 20 0 CGADHO c1ccc([C@@H](CC2CC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000643521987 380337091 /nfs/dbraw/zinc/33/70/91/380337091.db2.gz GEAJQOUCJMCZBC-DLBZAZTESA-N 1 3 258.409 3.260 20 0 CGADHO c1ccc([C@@H](CC2CC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521988 380337458 /nfs/dbraw/zinc/33/74/58/380337458.db2.gz GEAJQOUCJMCZBC-IAGOWNOFSA-N 1 3 258.409 3.260 20 0 CGADHO CC[C@@H](Cc1cccs1)NCC([NH3+])(CC)CC ZINC000643513532 380334115 /nfs/dbraw/zinc/33/41/15/380334115.db2.gz IRPZNTHNWHJVIR-LBPRGKRZSA-N 1 3 254.443 3.176 20 0 CGADHO CC[NH+](CC)CCOC1CCN(Cc2ccsc2)CC1 ZINC000354033471 380290791 /nfs/dbraw/zinc/29/07/91/380290791.db2.gz LSJZVNIWGYVLOU-UHFFFAOYSA-N 1 3 296.480 3.071 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000643465388 380313375 /nfs/dbraw/zinc/31/33/75/380313375.db2.gz CWBCGWCDNUXJPI-GMBSWORKSA-N 1 3 295.430 3.131 20 0 CGADHO c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CCNC3(CCC3)C1)C2 ZINC000643548752 380364502 /nfs/dbraw/zinc/36/45/02/380364502.db2.gz URFOFVMBLDNKRO-ZWKOTPCHSA-N 1 3 284.447 3.198 20 0 CGADHO COc1ccc(Cl)cc1CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673148 380365827 /nfs/dbraw/zinc/36/58/27/380365827.db2.gz BVWSYZYPWRGVKB-QWHCGFSZSA-N 1 3 296.842 3.169 20 0 CGADHO C[C@@H]1C[C@@H](CN2CCc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414700850 380380114 /nfs/dbraw/zinc/38/01/14/380380114.db2.gz GQGVGXUXJQOMHY-OLZOCXBDSA-N 1 3 278.827 3.086 20 0 CGADHO [NH3+]CCCN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000414704749 380382138 /nfs/dbraw/zinc/38/21/38/380382138.db2.gz KWUNSFNTVBTHML-UHFFFAOYSA-N 1 3 284.856 3.245 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H](N)CC(C)C ZINC000414730230 380389676 /nfs/dbraw/zinc/38/96/76/380389676.db2.gz AJOMIGWSEXWBFH-IOASZLSFSA-N 1 3 298.858 3.379 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526100 380340684 /nfs/dbraw/zinc/34/06/84/380340684.db2.gz PDUZYDMVSNLZSF-ZIAGYGMSSA-N 1 3 264.413 3.109 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000643524229 380341076 /nfs/dbraw/zinc/34/10/76/380341076.db2.gz WXGAUGHWXLQFDM-XNJGSVPQSA-N 1 3 283.419 3.405 20 0 CGADHO C[C@H]1C[C@H](N[C@H]2CC23CC[NH2+]CC3)c2ccsc2S1 ZINC000643534912 380350856 /nfs/dbraw/zinc/35/08/56/380350856.db2.gz FOYYYVMFQVDTNL-DRZSPHRISA-N 1 3 294.489 3.405 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643545689 380357211 /nfs/dbraw/zinc/35/72/11/380357211.db2.gz AKXZXBYWDAKEJI-JKSUJKDBSA-N 1 3 258.409 3.402 20 0 CGADHO c1ccc(C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C2CC2)cc1 ZINC000643546148 380360017 /nfs/dbraw/zinc/36/00/17/380360017.db2.gz JQDZAJALOZIYBQ-ROUUACIJSA-N 1 3 284.447 3.272 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)c2ccccc21 ZINC000643547793 380363219 /nfs/dbraw/zinc/36/32/19/380363219.db2.gz JAPRIZQMDGKPKT-JKIFEVAISA-N 1 3 270.420 3.499 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414814047 380425498 /nfs/dbraw/zinc/42/54/98/380425498.db2.gz YVOZYRXLGSHGJU-VGWMRTNUSA-N 1 3 250.430 3.062 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414819318 380430628 /nfs/dbraw/zinc/43/06/28/380430628.db2.gz HEZRCJHMCNXJOD-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414819318 380430637 /nfs/dbraw/zinc/43/06/37/380430637.db2.gz HEZRCJHMCNXJOD-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO c1ccc([C@H]2CCC[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414824024 380434602 /nfs/dbraw/zinc/43/46/02/380434602.db2.gz FJLAWTNEZXQKSA-ZFHLEULCSA-N 1 3 270.420 3.195 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000414827506 380435724 /nfs/dbraw/zinc/43/57/24/380435724.db2.gz XQTOAIAIMMGGRP-HLLBOEOZSA-N 1 3 260.425 3.158 20 0 CGADHO Fc1ccccc1-c1ccc(CNCC[C@H]2CC[NH2+]C2)o1 ZINC000414826729 380436310 /nfs/dbraw/zinc/43/63/10/380436310.db2.gz GBWGSRHRXCSRFA-CYBMUJFWSA-N 1 3 288.366 3.175 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829950 380438560 /nfs/dbraw/zinc/43/85/60/380438560.db2.gz BRDNWOMQCCOGTK-NWDGAFQWSA-N 1 3 288.357 3.082 20 0 CGADHO CNC[C@H](C)C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414829950 380438564 /nfs/dbraw/zinc/43/85/64/380438564.db2.gz BRDNWOMQCCOGTK-NWDGAFQWSA-N 1 3 288.357 3.082 20 0 CGADHO C[C@H](CCc1ccsc1)NCC1([NH3+])CCCCC1 ZINC000414834387 380442502 /nfs/dbraw/zinc/44/25/02/380442502.db2.gz BSUARLALEJAPDG-CYBMUJFWSA-N 1 3 266.454 3.320 20 0 CGADHO CC(C)C[C@H](CN)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414852035 380453726 /nfs/dbraw/zinc/45/37/26/380453726.db2.gz QBVVKCDBTLMMRN-CYBMUJFWSA-N 1 3 292.320 3.308 20 0 CGADHO Fc1ccc(-c2ccc(C[NH2+]C3CCNCC3)s2)cc1 ZINC000414789477 380404916 /nfs/dbraw/zinc/40/49/16/380404916.db2.gz NZSLMODHVXCUOO-UHFFFAOYSA-N 1 3 290.407 3.396 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](N)C(C)C ZINC000414793561 380409510 /nfs/dbraw/zinc/40/95/10/380409510.db2.gz KOSMAZTXIHOVNH-ZDUSSCGKSA-N 1 3 274.330 3.087 20 0 CGADHO Cc1ccc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])ccc2n1 ZINC000414796828 380411056 /nfs/dbraw/zinc/41/10/56/380411056.db2.gz IBQLJRONADAEON-IAGOWNOFSA-N 1 3 283.419 3.150 20 0 CGADHO Cc1oc2ccccc2c1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414800926 380412770 /nfs/dbraw/zinc/41/27/70/380412770.db2.gz LPBITKJQXRDSSK-CJNGLKHVSA-N 1 3 272.392 3.348 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414799117 380412882 /nfs/dbraw/zinc/41/28/82/380412882.db2.gz JQCKSAOXFPZGQT-BPUTZDHNSA-N 1 3 292.492 3.447 20 0 CGADHO CC(C)Oc1ccc([C@@H]2CCC[C@H]2NCC(C)(C)[NH3+])cc1 ZINC000414802029 380414611 /nfs/dbraw/zinc/41/46/11/380414611.db2.gz JVMPBDOIXDSUAE-DLBZAZTESA-N 1 3 290.451 3.437 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414802888 380416281 /nfs/dbraw/zinc/41/62/81/380416281.db2.gz BYQAORDJUOVBTC-UHFFFAOYSA-N 1 3 283.419 3.356 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414910327 380485640 /nfs/dbraw/zinc/48/56/40/380485640.db2.gz UUNCLHWPEDGADA-SQNIBIBYSA-N 1 3 272.436 3.229 20 0 CGADHO C[C@H](C[NH3+])NCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000414927932 380491617 /nfs/dbraw/zinc/49/16/17/380491617.db2.gz MRBDNBHEPDILOT-GFCCVEGCSA-N 1 3 290.357 3.034 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414878151 380472957 /nfs/dbraw/zinc/47/29/57/380472957.db2.gz NVCKKSGQXUORGG-RYUDHWBXSA-N 1 3 288.357 3.211 20 0 CGADHO Clc1ccc(CCCC[NH2+][C@H]2CCNC2)cc1Cl ZINC000414889108 380476124 /nfs/dbraw/zinc/47/61/24/380476124.db2.gz STWPGSIUJFPYKQ-LBPRGKRZSA-N 1 3 287.234 3.268 20 0 CGADHO CC(C)C[C@H](CNC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000414894665 380478762 /nfs/dbraw/zinc/47/87/62/380478762.db2.gz UHSQMLRACKWNDS-IAGOWNOFSA-N 1 3 260.425 3.143 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899553 380479603 /nfs/dbraw/zinc/47/96/03/380479603.db2.gz CMCCJKVXJNCXNF-YOEHRIQHSA-N 1 3 292.492 3.319 20 0 CGADHO CSc1ccccc1C[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414899553 380479607 /nfs/dbraw/zinc/47/96/07/380479607.db2.gz CMCCJKVXJNCXNF-YOEHRIQHSA-N 1 3 292.492 3.319 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414900562 380480794 /nfs/dbraw/zinc/48/07/94/380480794.db2.gz DXJGSDDEKJELPF-PBHICJAKSA-N 1 3 278.415 3.126 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201516 380621725 /nfs/dbraw/zinc/62/17/25/380621725.db2.gz BDQRYQOSQXAMHY-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201516 380621728 /nfs/dbraw/zinc/62/17/28/380621728.db2.gz BDQRYQOSQXAMHY-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201516 380621735 /nfs/dbraw/zinc/62/17/35/380621735.db2.gz BDQRYQOSQXAMHY-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201516 380621739 /nfs/dbraw/zinc/62/17/39/380621739.db2.gz BDQRYQOSQXAMHY-RTBURBONSA-N 1 3 284.447 3.091 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201514 380622115 /nfs/dbraw/zinc/62/21/15/380622115.db2.gz BDQRYQOSQXAMHY-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201514 380622121 /nfs/dbraw/zinc/62/21/21/380622121.db2.gz BDQRYQOSQXAMHY-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201514 380622124 /nfs/dbraw/zinc/62/21/24/380622124.db2.gz BDQRYQOSQXAMHY-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@H]21 ZINC000355201514 380622129 /nfs/dbraw/zinc/62/21/29/380622129.db2.gz BDQRYQOSQXAMHY-RBUKOAKNSA-N 1 3 284.447 3.091 20 0 CGADHO COC1(CNC2CC[NH+](C(C)(C)C)CC2)CCC(C)CC1 ZINC000355423748 380670426 /nfs/dbraw/zinc/67/04/26/380670426.db2.gz SBONUXJHQQTDOY-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000355649913 380737605 /nfs/dbraw/zinc/73/76/05/380737605.db2.gz HNLJCBOBPDPLRV-DOMZBBRYSA-N 1 3 266.816 3.078 20 0 CGADHO Cc1cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000355649913 380737608 /nfs/dbraw/zinc/73/76/08/380737608.db2.gz HNLJCBOBPDPLRV-DOMZBBRYSA-N 1 3 266.816 3.078 20 0 CGADHO C[NH2+]CCCN1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420363921 380851880 /nfs/dbraw/zinc/85/18/80/380851880.db2.gz CEBWDBHIEWGPDU-FQEVSTJZSA-N 1 3 294.442 3.438 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357664 380852223 /nfs/dbraw/zinc/85/22/23/380852223.db2.gz DUTBTUGJENZNJQ-QZTJIDSGSA-N 1 3 270.420 3.140 20 0 CGADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000356844289 380898838 /nfs/dbraw/zinc/89/88/38/380898838.db2.gz HQDBHRQXOXNECE-FJIDUMEYSA-N 1 3 284.447 3.285 20 0 CGADHO c1c2ccccc2oc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357059222 381015561 /nfs/dbraw/zinc/01/55/61/381015561.db2.gz WOURIRPZXPJEJU-MRXNPFEDSA-N 1 3 284.403 3.254 20 0 CGADHO FC(F)c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357080872 381021823 /nfs/dbraw/zinc/02/18/23/381021823.db2.gz NIUHKBJJOJVWEE-MRXNPFEDSA-N 1 3 294.389 3.446 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000359994335 381402128 /nfs/dbraw/zinc/40/21/28/381402128.db2.gz MOYDCVGNYKLMSH-YYIAUSFCSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[NH+]1CCC(NCCc2ccc3ccccc3n2)CC1 ZINC000360158614 381463574 /nfs/dbraw/zinc/46/35/74/381463574.db2.gz ZQVMNRDQRMVIJN-UHFFFAOYSA-N 1 3 297.446 3.241 20 0 CGADHO c1ccc2cc(CCN3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000360543373 381575816 /nfs/dbraw/zinc/57/58/16/381575816.db2.gz HHIYMSHYMLXDDA-IBGZPJMESA-N 1 3 280.415 3.068 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCCCOc2ccccc2)C1 ZINC000362393655 381973267 /nfs/dbraw/zinc/97/32/67/381973267.db2.gz UQCKSUWAXWGANU-KRWDZBQOSA-N 1 3 290.451 3.119 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCOc2ccccc2)C1 ZINC000362393655 381973275 /nfs/dbraw/zinc/97/32/75/381973275.db2.gz UQCKSUWAXWGANU-KRWDZBQOSA-N 1 3 290.451 3.119 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000362393655 381973282 /nfs/dbraw/zinc/97/32/82/381973282.db2.gz UQCKSUWAXWGANU-KRWDZBQOSA-N 1 3 290.451 3.119 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000362393655 381973285 /nfs/dbraw/zinc/97/32/85/381973285.db2.gz UQCKSUWAXWGANU-KRWDZBQOSA-N 1 3 290.451 3.119 20 0 CGADHO CC[C@@H]1CN(Cc2csc3ccccc23)CC[C@H]1[NH3+] ZINC000251609540 542346556 /nfs/dbraw/zinc/34/65/56/542346556.db2.gz DNFFFDHTWQVQQH-IUODEOHRSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)[C@H]1CN ZINC000252708302 542351209 /nfs/dbraw/zinc/35/12/09/542351209.db2.gz ZTBBXOMAIFAGDW-RISCZKNCSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)[C@H]1CN ZINC000252708302 542351211 /nfs/dbraw/zinc/35/12/11/542351211.db2.gz ZTBBXOMAIFAGDW-RISCZKNCSA-N 1 3 268.351 3.183 20 0 CGADHO CC[N@H+](C[C@H](C)c1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435394424 285076505 /nfs/dbraw/zinc/07/65/05/285076505.db2.gz NGWJSTGEWZYUGZ-DOTOQJQBSA-N 1 3 290.451 3.263 20 0 CGADHO CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@@H]1CCCNCC1 ZINC000435394424 285076507 /nfs/dbraw/zinc/07/65/07/285076507.db2.gz NGWJSTGEWZYUGZ-DOTOQJQBSA-N 1 3 290.451 3.263 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)ccc2[nH]1 ZINC000353816857 220347399 /nfs/dbraw/zinc/34/73/99/220347399.db2.gz MVSQWMHKOFPUPO-UHOSZYNNSA-N 1 3 297.446 3.439 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)ccc2[nH]1 ZINC000353816857 220347402 /nfs/dbraw/zinc/34/74/02/220347402.db2.gz MVSQWMHKOFPUPO-UHOSZYNNSA-N 1 3 297.446 3.439 20 0 CGADHO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423457104 533189632 /nfs/dbraw/zinc/18/96/32/533189632.db2.gz FJBJXSMSLQVEKR-KHYOSLBOSA-N 1 3 298.430 3.304 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(Cl)c3cccnc23)C1 ZINC000334847328 542462036 /nfs/dbraw/zinc/46/20/36/542462036.db2.gz SNIZREPFWWDGSY-CHWSQXEVSA-N 1 3 289.810 3.248 20 0 CGADHO Fc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067415 542486102 /nfs/dbraw/zinc/48/61/02/542486102.db2.gz HRJPMFOVOPRUHX-IRXDYDNUSA-N 1 3 288.410 3.074 20 0 CGADHO Fc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067415 542486105 /nfs/dbraw/zinc/48/61/05/542486105.db2.gz HRJPMFOVOPRUHX-IRXDYDNUSA-N 1 3 288.410 3.074 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccncc1Cl ZINC000421852205 533367458 /nfs/dbraw/zinc/36/74/58/533367458.db2.gz HRRQBNBMPBQBLA-GFCCVEGCSA-N 1 3 293.842 3.260 20 0 CGADHO C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)[C@H](C)N ZINC000423454948 533513617 /nfs/dbraw/zinc/51/36/17/533513617.db2.gz ZRWUNHKSWCEENS-IMSIIYSGSA-N 1 3 252.789 3.116 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000363945038 533607220 /nfs/dbraw/zinc/60/72/20/533607220.db2.gz JBJJPSBGZDPBGT-BFYDXBDKSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCSC2)CC1 ZINC000363945038 533607226 /nfs/dbraw/zinc/60/72/26/533607226.db2.gz JBJJPSBGZDPBGT-BFYDXBDKSA-N 1 3 296.524 3.372 20 0 CGADHO COc1cc(C)ccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000449017038 533648512 /nfs/dbraw/zinc/64/85/12/533648512.db2.gz OZFFDZMCORSXGB-UHFFFAOYSA-N 1 3 290.451 3.167 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423377899 533652092 /nfs/dbraw/zinc/65/20/92/533652092.db2.gz KQMSRLXYFHSWCF-YNEHKIRRSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@@H](CCc1c(F)cccc1F)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423377899 533652096 /nfs/dbraw/zinc/65/20/96/533652096.db2.gz KQMSRLXYFHSWCF-YNEHKIRRSA-N 1 3 282.378 3.016 20 0 CGADHO Cc1ccc2cc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc2n1 ZINC000390456558 542609589 /nfs/dbraw/zinc/60/95/89/542609589.db2.gz DUWNGDMQLMCJGN-HKUYNNGSSA-N 1 3 295.430 3.104 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3C[C@@H]4CCC[C@]4(CN)C3)ccc2n1 ZINC000390456558 542609592 /nfs/dbraw/zinc/60/95/92/542609592.db2.gz DUWNGDMQLMCJGN-HKUYNNGSSA-N 1 3 295.430 3.104 20 0 CGADHO Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(CN)C3)ccc2n1 ZINC000390456558 542609593 /nfs/dbraw/zinc/60/95/93/542609593.db2.gz DUWNGDMQLMCJGN-HKUYNNGSSA-N 1 3 295.430 3.104 20 0 CGADHO C[N@H+](CCC(C)(C)C)Cc1cccc2c1CCNC2 ZINC000399903754 542621161 /nfs/dbraw/zinc/62/11/61/542621161.db2.gz VILZBIKWYXJRIU-UHFFFAOYSA-N 1 3 260.425 3.200 20 0 CGADHO C[N@@H+](CCC(C)(C)C)Cc1cccc2c1CCNC2 ZINC000399903754 542621165 /nfs/dbraw/zinc/62/11/65/542621165.db2.gz VILZBIKWYXJRIU-UHFFFAOYSA-N 1 3 260.425 3.200 20 0 CGADHO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000090795099 392229624 /nfs/dbraw/zinc/22/96/24/392229624.db2.gz BSSYTQZEIWEAQH-KGLIPLIRSA-N 1 3 269.392 3.438 20 0 CGADHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000090795099 392229628 /nfs/dbraw/zinc/22/96/28/392229628.db2.gz BSSYTQZEIWEAQH-KGLIPLIRSA-N 1 3 269.392 3.438 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2sccc2C)C1 ZINC000250263831 131125154 /nfs/dbraw/zinc/12/51/54/131125154.db2.gz KDDOJSWUNNMYKW-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2sccc2C)C1 ZINC000250263831 131125155 /nfs/dbraw/zinc/12/51/55/131125155.db2.gz KDDOJSWUNNMYKW-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2sccc2C)C1 ZINC000250263831 131125156 /nfs/dbraw/zinc/12/51/56/131125156.db2.gz KDDOJSWUNNMYKW-OLZOCXBDSA-N 1 3 252.427 3.049 20 0 CGADHO Clc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000130048174 392453687 /nfs/dbraw/zinc/45/36/87/392453687.db2.gz DJSYLCCXOMGRJQ-SJCJKPOMSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000130048174 392453690 /nfs/dbraw/zinc/45/36/90/392453690.db2.gz DJSYLCCXOMGRJQ-SJCJKPOMSA-N 1 3 290.838 3.401 20 0 CGADHO CC(C)[C@@H](N)CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380990 392614805 /nfs/dbraw/zinc/61/48/05/392614805.db2.gz IHIDUNZUMDJHSF-OLZOCXBDSA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@@H](N)CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380990 392614815 /nfs/dbraw/zinc/61/48/15/392614815.db2.gz IHIDUNZUMDJHSF-OLZOCXBDSA-N 1 3 262.388 3.117 20 0 CGADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCCC(F)(F)C1 ZINC000302380990 392614821 /nfs/dbraw/zinc/61/48/21/392614821.db2.gz IHIDUNZUMDJHSF-OLZOCXBDSA-N 1 3 262.388 3.117 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000296084050 392554466 /nfs/dbraw/zinc/55/44/66/392554466.db2.gz STGYWIMVVKNCGE-UONOGXRCSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301712302 392596690 /nfs/dbraw/zinc/59/66/90/392596690.db2.gz LEFULFYKDNENOB-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301712302 392596696 /nfs/dbraw/zinc/59/66/96/392596696.db2.gz LEFULFYKDNENOB-QAPCUYQASA-N 1 3 295.430 3.464 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000314510114 392667985 /nfs/dbraw/zinc/66/79/85/392667985.db2.gz FHHXPSRRRTZKPI-IRXDYDNUSA-N 1 3 294.483 3.190 20 0 CGADHO c1ccc2c(c1)ccnc2CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647542181 392760679 /nfs/dbraw/zinc/76/06/79/392760679.db2.gz NHSRBQJQGHSSOJ-KRWDZBQOSA-N 1 3 295.430 3.056 20 0 CGADHO CC[C@H](C)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000375309946 392764249 /nfs/dbraw/zinc/76/42/49/392764249.db2.gz OGAGHXALFPOMDF-AWEZNQCLSA-N 1 3 276.424 3.048 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCCNCC1)CC3 ZINC000335253644 392784702 /nfs/dbraw/zinc/78/47/02/392784702.db2.gz ZZLJCEFHJYDTHF-CABCVRRESA-N 1 3 297.446 3.065 20 0 CGADHO Clc1ccc2c(c1)OCCC[C@H]2NCC1=CC[NH2+]CC1 ZINC000335502070 392796643 /nfs/dbraw/zinc/79/66/43/392796643.db2.gz UPFHNPBZUBCBBS-OAHLLOKOSA-N 1 3 292.810 3.063 20 0 CGADHO c1ccc([C@H]2C[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647800785 392803196 /nfs/dbraw/zinc/80/31/96/392803196.db2.gz KMGRHAYBUSWEOE-RHQZKXFESA-N 1 3 284.447 3.300 20 0 CGADHO CCOc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000647804321 392804487 /nfs/dbraw/zinc/80/44/87/392804487.db2.gz PCRNZZDXTBDRIC-AWEZNQCLSA-N 1 3 284.403 3.395 20 0 CGADHO COc1ccc([C@H]2CCCCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873530 392818498 /nfs/dbraw/zinc/81/84/98/392818498.db2.gz WPALZODPWWAILF-CRAIPNDOSA-N 1 3 288.435 3.222 20 0 CGADHO CN(CCCC1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000647874839 392820346 /nfs/dbraw/zinc/82/03/46/392820346.db2.gz CGRBALHHSUJIGO-UHFFFAOYSA-N 1 3 282.378 3.176 20 0 CGADHO Cc1ccc([C@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1C ZINC000647881219 392822546 /nfs/dbraw/zinc/82/25/46/392822546.db2.gz VIILFGNLIMDDHC-NVXWUHKLSA-N 1 3 258.409 3.050 20 0 CGADHO C[C@@H](c1ccccc1)N(CC1CCC1)C[C@H]1CC[NH2+]C1 ZINC000647888057 392826533 /nfs/dbraw/zinc/82/65/33/392826533.db2.gz GIDSPSCKCYZFEI-RDJZCZTQSA-N 1 3 272.436 3.459 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000647888121 392827351 /nfs/dbraw/zinc/82/73/51/392827351.db2.gz NJJKHEAWADOOBQ-ZACQAIPSSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000380835261 392905795 /nfs/dbraw/zinc/90/57/95/392905795.db2.gz LSFJHJYATKITJO-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H](NCCCC1CC[NH2+]CC1)c1c(C)noc1C ZINC000647992065 392858249 /nfs/dbraw/zinc/85/82/49/392858249.db2.gz ANOBHOJWQXPHPY-HNNXBMFYSA-N 1 3 279.428 3.112 20 0 CGADHO COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@@H]1CC[NH2+]C1 ZINC000647990196 392859037 /nfs/dbraw/zinc/85/90/37/392859037.db2.gz FAFROCONCXZGIY-INMHGKMJSA-N 1 3 288.435 3.078 20 0 CGADHO CC(C)(C)[C@@H](NC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000647991955 392859060 /nfs/dbraw/zinc/85/90/60/392859060.db2.gz JGJTXFAYCDRMCE-DOMZBBRYSA-N 1 3 264.388 3.112 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392282173 392929317 /nfs/dbraw/zinc/92/93/17/392929317.db2.gz RYGWJUIHQRCBLH-HZPDHXFCSA-N 1 3 250.430 3.053 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(C)ns1 ZINC000404473031 392966661 /nfs/dbraw/zinc/96/66/61/392966661.db2.gz ZXHWTDSDBDKFPR-LBPRGKRZSA-N 1 3 269.458 3.052 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(C3CCC3)cc2)C1 ZINC000559269724 542757673 /nfs/dbraw/zinc/75/76/73/542757673.db2.gz MVSDUVDUGXSPCY-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2ccc(C3CCC3)cc2)C1 ZINC000559269724 542757677 /nfs/dbraw/zinc/75/76/77/542757677.db2.gz MVSDUVDUGXSPCY-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)s1)[C@H](C)N ZINC000415004285 393089545 /nfs/dbraw/zinc/08/95/45/393089545.db2.gz HKPYVESQIXFASU-WDEREUQCSA-N 1 3 278.396 3.380 20 0 CGADHO CC(C)(C)c1cnc(CNC[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415009555 393093830 /nfs/dbraw/zinc/09/38/30/393093830.db2.gz UHXFKPYUWODJRH-NEPJUHHUSA-N 1 3 281.469 3.048 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3c(F)cc(F)cc3[C@@H]2C)CC[NH2+]1 ZINC000414708363 393052638 /nfs/dbraw/zinc/05/26/38/393052638.db2.gz NSZUBWSADXGODJ-FRRDWIJNSA-N 1 3 294.389 3.272 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000414922816 393058455 /nfs/dbraw/zinc/05/84/55/393058455.db2.gz HFKLXISUHUOPNQ-IAGOWNOFSA-N 1 3 260.425 3.212 20 0 CGADHO CC(C)c1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414922816 393058459 /nfs/dbraw/zinc/05/84/59/393058459.db2.gz HFKLXISUHUOPNQ-IAGOWNOFSA-N 1 3 260.425 3.212 20 0 CGADHO COc1ccc(C[NH2+][C@H]2CCN[C@H](C)C2)c2ccccc12 ZINC000414959334 393066968 /nfs/dbraw/zinc/06/69/68/393066968.db2.gz XJEUIKWYQFFHLH-HIFRSBDPSA-N 1 3 284.403 3.079 20 0 CGADHO CCCc1cccc(C[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000414976020 393075066 /nfs/dbraw/zinc/07/50/66/393075066.db2.gz PKFUUEVLEQCROO-INIZCTEOSA-N 1 3 260.425 3.117 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000414980506 393077854 /nfs/dbraw/zinc/07/78/54/393077854.db2.gz PNKAXEBNIQYVRN-KRWDZBQOSA-N 1 3 284.403 3.093 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000414988270 393081288 /nfs/dbraw/zinc/08/12/88/393081288.db2.gz ZMULKQTUELGUMN-QGZVFWFLSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CNC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000415059505 393120407 /nfs/dbraw/zinc/12/04/07/393120407.db2.gz XAUNELWGPBOFEA-MDASCCDHSA-N 1 3 298.405 3.274 20 0 CGADHO CSc1ccccc1C[C@@H](C)[NH2+]CCCNC1CC1 ZINC000415065647 393123867 /nfs/dbraw/zinc/12/38/67/393123867.db2.gz GZTJXJYVDZJXPP-CYBMUJFWSA-N 1 3 278.465 3.071 20 0 CGADHO CSc1ccccc1C[C@@H](C)NCCC[NH2+]C1CC1 ZINC000415065647 393123871 /nfs/dbraw/zinc/12/38/71/393123871.db2.gz GZTJXJYVDZJXPP-CYBMUJFWSA-N 1 3 278.465 3.071 20 0 CGADHO CC(C)c1ccc(CC[NH2+]CCCNC2CC2)cc1 ZINC000415072078 393129935 /nfs/dbraw/zinc/12/99/35/393129935.db2.gz VHMHHWQHDQOBHU-UHFFFAOYSA-N 1 3 260.425 3.084 20 0 CGADHO CC(C)c1ccc(CCNCCC[NH2+]C2CC2)cc1 ZINC000415072078 393129939 /nfs/dbraw/zinc/12/99/39/393129939.db2.gz VHMHHWQHDQOBHU-UHFFFAOYSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@@H](NCCc1cccc(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000415082646 393136075 /nfs/dbraw/zinc/13/60/75/393136075.db2.gz DMBFJLGBNJBQGD-OXQOHEQNSA-N 1 3 294.442 3.484 20 0 CGADHO C[C@H](NCCc1cccc(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000415082645 393136760 /nfs/dbraw/zinc/13/67/60/393136760.db2.gz DMBFJLGBNJBQGD-OXJNMPFZSA-N 1 3 294.442 3.484 20 0 CGADHO c1c2ccccc2oc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415086488 393138572 /nfs/dbraw/zinc/13/85/72/393138572.db2.gz JSDJRMUKZJLICZ-KSZLIROESA-N 1 3 298.430 3.486 20 0 CGADHO C[C@@H](NCC1CC[NH2+]CC1)c1nc(C(C)(C)C)cs1 ZINC000415089270 393141320 /nfs/dbraw/zinc/14/13/20/393141320.db2.gz YRRVLDZWXWQRQL-LLVKDONJSA-N 1 3 281.469 3.091 20 0 CGADHO CC(C)c1ccc([C@H](C)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261701332 393141295 /nfs/dbraw/zinc/14/12/95/393141295.db2.gz ILJVQUFFWGASCU-JCGIZDLHSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000261809326 393143291 /nfs/dbraw/zinc/14/32/91/393143291.db2.gz HNYHTZUTHUPBEH-JFIYKMOQSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000261809326 393143295 /nfs/dbraw/zinc/14/32/95/393143295.db2.gz HNYHTZUTHUPBEH-JFIYKMOQSA-N 1 3 272.436 3.172 20 0 CGADHO CCCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000262037130 393144689 /nfs/dbraw/zinc/14/46/89/393144689.db2.gz XWCQCYQGLJYSOG-WBVHZDCISA-N 1 3 287.451 3.171 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000646243311 393245474 /nfs/dbraw/zinc/24/54/74/393245474.db2.gz HYPBYQNFMUEEAX-IBGZPJMESA-N 1 3 284.447 3.482 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000646243311 393245479 /nfs/dbraw/zinc/24/54/79/393245479.db2.gz HYPBYQNFMUEEAX-IBGZPJMESA-N 1 3 284.447 3.482 20 0 CGADHO Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2c1C ZINC000472058739 393330042 /nfs/dbraw/zinc/33/00/42/393330042.db2.gz QZCYTXVYIMKSJX-HNNXBMFYSA-N 1 3 297.446 3.359 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H](C)CC[NH+](C)C ZINC000474048425 393339002 /nfs/dbraw/zinc/33/90/02/393339002.db2.gz SBHUSOPQYJTVHY-SUMWQHHRSA-N 1 3 290.451 3.347 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2COC(C)(C)C2)c1 ZINC000417878186 393356475 /nfs/dbraw/zinc/35/64/75/393356475.db2.gz DPLDUWVNMDLSOZ-QGZVFWFLSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2COC(C)(C)C2)c1 ZINC000417878186 393356481 /nfs/dbraw/zinc/35/64/81/393356481.db2.gz DPLDUWVNMDLSOZ-QGZVFWFLSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647179575 393373298 /nfs/dbraw/zinc/37/32/98/393373298.db2.gz FLSCRUVIQRUGPK-ZDUSSCGKSA-N 1 3 274.399 3.274 20 0 CGADHO c1ccc(C[C@@H](NC[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420380878 393480169 /nfs/dbraw/zinc/48/01/69/393480169.db2.gz WYKRJZJVXMDNOH-IEBWSBKVSA-N 1 3 280.415 3.170 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@@H](C)C[NH+]1CCCC1 ZINC000481318192 393437542 /nfs/dbraw/zinc/43/75/42/393437542.db2.gz GBDHJNYMCHCBDY-RDTXWAMCSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)CN1CCCC1 ZINC000481318192 393437546 /nfs/dbraw/zinc/43/75/46/393437546.db2.gz GBDHJNYMCHCBDY-RDTXWAMCSA-N 1 3 272.436 3.304 20 0 CGADHO CCCc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1 ZINC000420254744 393443525 /nfs/dbraw/zinc/44/35/25/393443525.db2.gz GXJTUFCKQPYMSQ-HUUCEWRRSA-N 1 3 295.430 3.233 20 0 CGADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1c(F)cccc1Cl ZINC000420393964 393481795 /nfs/dbraw/zinc/48/17/95/393481795.db2.gz CFHFJMFPCBIIPV-WDEREUQCSA-N 1 3 270.779 3.129 20 0 CGADHO CCc1cccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420394426 393482147 /nfs/dbraw/zinc/48/21/47/393482147.db2.gz KMGHUWAMGSUMQT-ROUUACIJSA-N 1 3 272.436 3.213 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420288501 393449844 /nfs/dbraw/zinc/44/98/44/393449844.db2.gz IYBORDFEYURFCZ-RVSPLBMKSA-N 1 3 276.399 3.262 20 0 CGADHO CN(CC(C)(C)C[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000420288076 393450476 /nfs/dbraw/zinc/45/04/76/393450476.db2.gz IQBQQQYNIJNVFV-OAHLLOKOSA-N 1 3 264.388 3.120 20 0 CGADHO C[N@H+](CC(C)(C)CN)[C@@H]1CCCc2ccc(F)cc21 ZINC000420288076 393450480 /nfs/dbraw/zinc/45/04/80/393450480.db2.gz IQBQQQYNIJNVFV-OAHLLOKOSA-N 1 3 264.388 3.120 20 0 CGADHO C[N@@H+](CC(C)(C)CN)[C@@H]1CCCc2ccc(F)cc21 ZINC000420288076 393450484 /nfs/dbraw/zinc/45/04/84/393450484.db2.gz IQBQQQYNIJNVFV-OAHLLOKOSA-N 1 3 264.388 3.120 20 0 CGADHO CSc1ccccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392627 393482636 /nfs/dbraw/zinc/48/26/36/393482636.db2.gz IZVSOCGRSVOULW-GOEBONIOSA-N 1 3 290.476 3.373 20 0 CGADHO C[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000420396467 393482746 /nfs/dbraw/zinc/48/27/46/393482746.db2.gz FHRROTFGQGKQEL-JKOKRWQUSA-N 1 3 286.341 3.278 20 0 CGADHO Cc1ccsc1[C@@H](Cc1ccccc1)NCCC[NH3+] ZINC000420396366 393482906 /nfs/dbraw/zinc/48/29/06/393482906.db2.gz FAMXRGCDXDKYSL-OAHLLOKOSA-N 1 3 274.433 3.279 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420317627 393462856 /nfs/dbraw/zinc/46/28/56/393462856.db2.gz NNHPXDWYKALGGF-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO COc1ccccc1CN(CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420316621 393463338 /nfs/dbraw/zinc/46/33/38/393463338.db2.gz MTPNJJYDJGBCRG-OAHLLOKOSA-N 1 3 288.435 3.049 20 0 CGADHO CC[N@H+](CCCCC(F)(F)F)[C@@H]1CCCNCC1 ZINC000420319592 393464201 /nfs/dbraw/zinc/46/42/01/393464201.db2.gz XVZHYDPZDYVMDG-GFCCVEGCSA-N 1 3 266.351 3.183 20 0 CGADHO CC[N@@H+](CCCCC(F)(F)F)[C@@H]1CCCNCC1 ZINC000420319592 393464210 /nfs/dbraw/zinc/46/42/10/393464210.db2.gz XVZHYDPZDYVMDG-GFCCVEGCSA-N 1 3 266.351 3.183 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320234 393465571 /nfs/dbraw/zinc/46/55/71/393465571.db2.gz BBMKMADDYRUMRK-BPLDGKMQSA-N 1 3 294.389 3.347 20 0 CGADHO CCCCN(C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420328567 393468807 /nfs/dbraw/zinc/46/88/07/393468807.db2.gz ZYWCSUJBALURSH-OAHLLOKOSA-N 1 3 276.424 3.002 20 0 CGADHO COC1(C[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)CCC1 ZINC000429523502 393472952 /nfs/dbraw/zinc/47/29/52/393472952.db2.gz SFIIXHXCINABQX-CVEARBPZSA-N 1 3 282.472 3.046 20 0 CGADHO CC1CCC(C[N@@H+]2CCC[C@@H](N(C)C)CC2)CC1 ZINC000429541207 393477012 /nfs/dbraw/zinc/47/70/12/393477012.db2.gz VMMHCCPXKFETCT-UYSNPLJNSA-N 1 3 252.446 3.229 20 0 CGADHO CC1CCC(C[N@H+]2CCC[C@@H](N(C)C)CC2)CC1 ZINC000429541207 393477017 /nfs/dbraw/zinc/47/70/17/393477017.db2.gz VMMHCCPXKFETCT-UYSNPLJNSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@@H]1CCOC1 ZINC000358440350 393525381 /nfs/dbraw/zinc/52/53/81/393525381.db2.gz ACMGFIMCFZRIKB-KONPQCLYSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)C1CC([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000488505916 393528413 /nfs/dbraw/zinc/52/84/13/393528413.db2.gz NVUJTHIZNSTAPD-UHFFFAOYSA-N 1 3 252.446 3.133 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000360838944 393595536 /nfs/dbraw/zinc/59/55/36/393595536.db2.gz FKBZGBJFDVYVAI-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000360838944 393595539 /nfs/dbraw/zinc/59/55/39/393595539.db2.gz FKBZGBJFDVYVAI-BFYDXBDKSA-N 1 3 282.472 3.044 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318918 393602859 /nfs/dbraw/zinc/60/28/59/393602859.db2.gz IZDZXHAYTIUGRJ-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CC[C@H]21 ZINC000421318918 393602863 /nfs/dbraw/zinc/60/28/63/393602863.db2.gz IZDZXHAYTIUGRJ-RBUKOAKNSA-N 1 3 284.447 3.480 20 0 CGADHO COc1ccc(F)cc1CNC1CCC(C[NH+](C)C)CC1 ZINC000360963270 393625239 /nfs/dbraw/zinc/62/52/39/393625239.db2.gz AUAXJOGNESZSBR-UHFFFAOYSA-N 1 3 294.414 3.044 20 0 CGADHO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@@H]1CCCCN1 ZINC000422827969 393643431 /nfs/dbraw/zinc/64/34/31/393643431.db2.gz AHFYZOZGYMNODQ-RRQGHBQHSA-N 1 3 290.476 3.137 20 0 CGADHO C[C@H](NC[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422815084 393643631 /nfs/dbraw/zinc/64/36/31/393643631.db2.gz ASUWNAIDGOBKOU-UMSGYPCISA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCN1 ZINC000422815084 393643637 /nfs/dbraw/zinc/64/36/37/393643637.db2.gz ASUWNAIDGOBKOU-UMSGYPCISA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H](NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422815079 393644217 /nfs/dbraw/zinc/64/42/17/393644217.db2.gz ASUWNAIDGOBKOU-CYDGBPFRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCCN1 ZINC000422815079 393644222 /nfs/dbraw/zinc/64/42/22/393644222.db2.gz ASUWNAIDGOBKOU-CYDGBPFRSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423083709 393650513 /nfs/dbraw/zinc/65/05/13/393650513.db2.gz GKYINBFCYNMUKV-IRWJRLHMSA-N 1 3 276.399 3.049 20 0 CGADHO CC(C)(N)C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423288917 393659481 /nfs/dbraw/zinc/65/94/81/393659481.db2.gz VRQWOKPUASUQDC-ZDUSSCGKSA-N 1 3 297.240 3.153 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCCc2ccc(Br)cc21 ZINC000423306839 393660292 /nfs/dbraw/zinc/66/02/92/393660292.db2.gz MCBIOHDUPBMOPL-YGRLFVJLSA-N 1 3 297.240 3.011 20 0 CGADHO CCC[C@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000500100605 393817539 /nfs/dbraw/zinc/81/75/39/393817539.db2.gz YPTMGBOYAJEUTH-GVDBMIGSSA-N 1 3 296.499 3.386 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000666995020 542832283 /nfs/dbraw/zinc/83/22/83/542832283.db2.gz AHNRCPFEHABQTJ-XOYOTBSWSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC000666995020 542832287 /nfs/dbraw/zinc/83/22/87/542832287.db2.gz AHNRCPFEHABQTJ-XOYOTBSWSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@H](C)C2 ZINC000449560462 393903822 /nfs/dbraw/zinc/90/38/22/393903822.db2.gz LLGKWWVZCIFVSV-JJQWWUTCSA-N 1 3 284.447 3.443 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@H](C)C2 ZINC000449560462 393903824 /nfs/dbraw/zinc/90/38/24/393903824.db2.gz LLGKWWVZCIFVSV-JJQWWUTCSA-N 1 3 284.447 3.443 20 0 CGADHO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995215 542832950 /nfs/dbraw/zinc/83/29/50/542832950.db2.gz GLIPYYJJSAUIOD-ZIAGYGMSSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995636 542834000 /nfs/dbraw/zinc/83/40/00/542834000.db2.gz UTFZXSMUMVRTET-CZUORRHYSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995636 542834001 /nfs/dbraw/zinc/83/40/01/542834001.db2.gz UTFZXSMUMVRTET-CZUORRHYSA-N 1 3 276.399 3.021 20 0 CGADHO Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCNC3(CCC3)C1)C2 ZINC000666995518 542834204 /nfs/dbraw/zinc/83/42/04/542834204.db2.gz QCIAAASIPPAYAZ-HOTGVXAUSA-N 1 3 290.838 3.072 20 0 CGADHO Clc1ccc2c(c1)C[C@@H](N[C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666995518 542834206 /nfs/dbraw/zinc/83/42/06/542834206.db2.gz QCIAAASIPPAYAZ-HOTGVXAUSA-N 1 3 290.838 3.072 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)C)C1)c1ccncc1 ZINC000453105516 394172569 /nfs/dbraw/zinc/17/25/69/394172569.db2.gz HSOGTMIIZJNKRS-NVXWUHKLSA-N 1 3 275.440 3.243 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453104357 394172959 /nfs/dbraw/zinc/17/29/59/394172959.db2.gz ZIGPCIOBZQGOLW-RHSMWYFYSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1cccc(F)c1F ZINC000453390075 394227765 /nfs/dbraw/zinc/22/77/65/394227765.db2.gz CWABHUUKSXGRFP-GFCCVEGCSA-N 1 3 282.378 3.490 20 0 CGADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1cccc(F)c1F ZINC000453390075 394227767 /nfs/dbraw/zinc/22/77/67/394227767.db2.gz CWABHUUKSXGRFP-GFCCVEGCSA-N 1 3 282.378 3.490 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000668299489 543003221 /nfs/dbraw/zinc/00/32/21/543003221.db2.gz HHBOCFDOUMXWOW-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000668299489 543003223 /nfs/dbraw/zinc/00/32/23/543003223.db2.gz HHBOCFDOUMXWOW-WMZOPIPTSA-N 1 3 288.435 3.001 20 0 CGADHO CC[C@@H](C)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668486001 543019084 /nfs/dbraw/zinc/01/90/84/543019084.db2.gz AOYWEVCYWGITII-CQSZACIVSA-N 1 3 261.413 3.076 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264917 543147169 /nfs/dbraw/zinc/14/71/69/543147169.db2.gz RAUWGTDDRRZWNM-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN2CCCCC2)C1)C(C)(C)C ZINC000670264917 543147170 /nfs/dbraw/zinc/14/71/70/543147170.db2.gz RAUWGTDDRRZWNM-JKSUJKDBSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670264868 543147179 /nfs/dbraw/zinc/14/71/79/543147179.db2.gz KTWKGJQKIPNZKJ-LSDHHAIUSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000670264868 543147181 /nfs/dbraw/zinc/14/71/81/543147181.db2.gz KTWKGJQKIPNZKJ-LSDHHAIUSA-N 1 3 254.462 3.332 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000671753808 543185623 /nfs/dbraw/zinc/18/56/23/543185623.db2.gz UKDRBNMENOZUEU-BRWVUGGUSA-N 1 3 266.473 3.379 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC2CCC1CC2 ZINC000392260351 397693100 /nfs/dbraw/zinc/69/31/00/397693100.db2.gz PSSNDIWDQFQIPL-VFNXUKNFSA-N 1 3 262.441 3.053 20 0 CGADHO CC[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000650709308 397898062 /nfs/dbraw/zinc/89/80/62/397898062.db2.gz QEJHFZFBKHQKBG-NJAFHUGGSA-N 1 3 272.436 3.241 20 0 CGADHO CC[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000650709308 397898063 /nfs/dbraw/zinc/89/80/63/397898063.db2.gz QEJHFZFBKHQKBG-NJAFHUGGSA-N 1 3 272.436 3.241 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(C)c(C)c1 ZINC000650718431 397901662 /nfs/dbraw/zinc/90/16/62/397901662.db2.gz MGADFRTVSNVKJI-UHFFFAOYSA-N 1 3 268.404 3.313 20 0 CGADHO [NH3+]CC1(CCN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000650747125 397906523 /nfs/dbraw/zinc/90/65/23/397906523.db2.gz SHYYLSHGOUESHS-QGZVFWFLSA-N 1 3 299.393 3.029 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCCOc2ccccc21 ZINC000650758337 397910289 /nfs/dbraw/zinc/91/02/89/397910289.db2.gz NLFLLDCHOKHKEC-GOSISDBHSA-N 1 3 296.414 3.410 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@H](NCCC1CC[NH2+]CC1)CC2 ZINC000650761904 397911841 /nfs/dbraw/zinc/91/18/41/397911841.db2.gz NCYORWYAJSHEMU-CYBMUJFWSA-N 1 3 298.352 3.071 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000676901209 543423469 /nfs/dbraw/zinc/42/34/69/543423469.db2.gz UERQBKMQAPJJGC-JYJNAYRXSA-N 1 3 264.457 3.419 20 0 CGADHO CO[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000372061093 286011265 /nfs/dbraw/zinc/01/12/65/286011265.db2.gz NZJRFNNHHHERPO-RYQLBKOJSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H](c1ccncc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000678047385 543479300 /nfs/dbraw/zinc/47/93/00/543479300.db2.gz SPWAGVHLOFMXIV-HNNXBMFYSA-N 1 3 275.440 3.196 20 0 CGADHO CC[C@H]1c2ccccc2CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000678077544 543481725 /nfs/dbraw/zinc/48/17/25/543481725.db2.gz UQZBGHKKPSVCRD-WMZOPIPTSA-N 1 3 272.436 3.480 20 0 CGADHO CC[C@H]1c2ccccc2CCN1CC[C@@H]1CCC[N@H+]1C ZINC000678077544 543481726 /nfs/dbraw/zinc/48/17/26/543481726.db2.gz UQZBGHKKPSVCRD-WMZOPIPTSA-N 1 3 272.436 3.480 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c(C)n1 ZINC000678425181 543524834 /nfs/dbraw/zinc/52/48/34/543524834.db2.gz VUYLLXRBHRVHFM-NVXWUHKLSA-N 1 3 289.467 3.469 20 0 CGADHO C[C@H](N[C@H]1COc2ccc(Cl)cc21)C1CC[NH+](C)CC1 ZINC000678598004 543540683 /nfs/dbraw/zinc/54/06/83/543540683.db2.gz OJSAETNDKOAZBT-NHYWBVRUSA-N 1 3 294.826 3.093 20 0 CGADHO C[C@@H](CCc1ccccc1)CN1CCC([NH+](C)C)CC1 ZINC000678814292 543561790 /nfs/dbraw/zinc/56/17/90/543561790.db2.gz IDYGINAVBMWHJC-INIZCTEOSA-N 1 3 274.452 3.281 20 0 CGADHO c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C2 ZINC000422976621 296620696 /nfs/dbraw/zinc/62/06/96/296620696.db2.gz DHSHYKRIKFYESA-XUVXKRRUSA-N 1 3 298.474 3.302 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423421478 286804027 /nfs/dbraw/zinc/80/40/27/286804027.db2.gz CEORQCMULGFMES-DZGCQCFKSA-N 1 3 278.444 3.138 20 0 CGADHO C[C@@H](NC1CCC([NH3+])CC1)c1ccc(F)cc1Cl ZINC000051694285 287011537 /nfs/dbraw/zinc/01/15/37/287011537.db2.gz IJOQHWMMAUVBFG-OIKLOGQESA-N 1 3 270.779 3.400 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000247007557 287022864 /nfs/dbraw/zinc/02/28/64/287022864.db2.gz LZFBXDRYMGDZIP-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000358468366 287050382 /nfs/dbraw/zinc/05/03/82/287050382.db2.gz NFUMJABGLCCTJY-YYIAUSFCSA-N 1 3 294.483 3.044 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000081571113 287074332 /nfs/dbraw/zinc/07/43/32/287074332.db2.gz HMKCCZQIAYZRAQ-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000081571113 287074335 /nfs/dbraw/zinc/07/43/35/287074335.db2.gz HMKCCZQIAYZRAQ-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CCC2CCCC2)C1 ZINC000081571113 287074336 /nfs/dbraw/zinc/07/43/36/287074336.db2.gz HMKCCZQIAYZRAQ-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CCC2CCCC2)C1 ZINC000081571113 287074340 /nfs/dbraw/zinc/07/43/40/287074340.db2.gz HMKCCZQIAYZRAQ-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)CCc1cccs1 ZINC000075860648 165102939 /nfs/dbraw/zinc/10/29/39/165102939.db2.gz QNAPRAWNENXBBX-AWEZNQCLSA-N 1 3 266.454 3.097 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)CCc1cccs1 ZINC000075860648 165102942 /nfs/dbraw/zinc/10/29/42/165102942.db2.gz QNAPRAWNENXBBX-AWEZNQCLSA-N 1 3 266.454 3.097 20 0 CGADHO [NH3+]C[C@H](NC1CCCC1)c1ccc2ccccc2c1 ZINC000087911859 165192746 /nfs/dbraw/zinc/19/27/46/165192746.db2.gz FHLKJPSEJPBETP-KRWDZBQOSA-N 1 3 254.377 3.372 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426275 165204837 /nfs/dbraw/zinc/20/48/37/165204837.db2.gz MIUAUZHKHOYABL-ZWKOTPCHSA-N 1 3 290.426 3.317 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089426275 165204838 /nfs/dbraw/zinc/20/48/38/165204838.db2.gz MIUAUZHKHOYABL-ZWKOTPCHSA-N 1 3 290.426 3.317 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000092195060 165287048 /nfs/dbraw/zinc/28/70/48/165287048.db2.gz RFYOYYQKMZCSTL-UONOGXRCSA-N 1 3 281.419 3.382 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000093211387 165325298 /nfs/dbraw/zinc/32/52/98/165325298.db2.gz HFQGYZLRWPQFQM-WCFLWFBJSA-N 1 3 284.350 3.209 20 0 CGADHO C[C@H](c1cccc(Cl)c1)N1CCC(OCCC[NH3+])CC1 ZINC000094070098 165345862 /nfs/dbraw/zinc/34/58/62/165345862.db2.gz JPQGAFACVCWLBQ-CYBMUJFWSA-N 1 3 296.842 3.231 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522093 165351819 /nfs/dbraw/zinc/35/18/19/165351819.db2.gz OWUUQOGHPLSPLT-GUYCJALGSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522093 165351821 /nfs/dbraw/zinc/35/18/21/165351821.db2.gz OWUUQOGHPLSPLT-GUYCJALGSA-N 1 3 258.409 3.266 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516401 287147903 /nfs/dbraw/zinc/14/79/03/287147903.db2.gz GLRAPNGGLRFNON-INIZCTEOSA-N 1 3 298.430 3.102 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000113516401 287147904 /nfs/dbraw/zinc/14/79/04/287147904.db2.gz GLRAPNGGLRFNON-INIZCTEOSA-N 1 3 298.430 3.102 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1F ZINC000020128858 171015967 /nfs/dbraw/zinc/01/59/67/171015967.db2.gz JGGNZHCQKJCIDJ-CQSZACIVSA-N 1 3 294.414 3.361 20 0 CGADHO c1ccc2cc(C[NH2+]CCCN3CCCC3)ccc2c1 ZINC000020128901 171016585 /nfs/dbraw/zinc/01/65/85/171016585.db2.gz AFRSCZZOEGDEED-UHFFFAOYSA-N 1 3 268.404 3.415 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337990863 287268819 /nfs/dbraw/zinc/26/88/19/287268819.db2.gz FGNYQPLRIUCYJY-PVAVHDDUSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](NCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000037209406 173030393 /nfs/dbraw/zinc/03/03/93/173030393.db2.gz OWARVQNYCVNHFA-LBPRGKRZSA-N 1 3 266.816 3.160 20 0 CGADHO CCCN(CCOc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000037539180 173259863 /nfs/dbraw/zinc/25/98/63/173259863.db2.gz RYOADPCRMFAYOJ-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[N@H+](CCOc1cccc(Cl)c1)C1CCNCC1 ZINC000037539180 173259866 /nfs/dbraw/zinc/25/98/66/173259866.db2.gz RYOADPCRMFAYOJ-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[N@@H+](CCOc1cccc(Cl)c1)C1CCNCC1 ZINC000037539180 173259868 /nfs/dbraw/zinc/25/98/68/173259868.db2.gz RYOADPCRMFAYOJ-UHFFFAOYSA-N 1 3 296.842 3.183 20 0 CGADHO CCC[N@H+](Cc1ccc2ncccc2c1)C1CCNCC1 ZINC000037539291 173260165 /nfs/dbraw/zinc/26/01/65/173260165.db2.gz WYBIWQLGABJEMD-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCC[N@@H+](Cc1ccc2ncccc2c1)C1CCNCC1 ZINC000037539291 173260167 /nfs/dbraw/zinc/26/01/67/173260167.db2.gz WYBIWQLGABJEMD-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCCN(Cc1ccc2ncccc2c1)C1CC[NH2+]CC1 ZINC000037539291 173260168 /nfs/dbraw/zinc/26/01/68/173260168.db2.gz WYBIWQLGABJEMD-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCC)CC1 ZINC000127544582 287290253 /nfs/dbraw/zinc/29/02/53/287290253.db2.gz RZHLBAGSOMJXLW-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCC)CC1 ZINC000127544582 287290256 /nfs/dbraw/zinc/29/02/56/287290256.db2.gz RZHLBAGSOMJXLW-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO C[C@@H](c1cccc(Br)c1)N1CCC(C[NH3+])CC1 ZINC000044511696 175187797 /nfs/dbraw/zinc/18/77/97/175187797.db2.gz UTLUCYHEUOKVAS-NSHDSACASA-N 1 3 297.240 3.181 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)N1CCC(C[NH3+])CC1 ZINC000044512080 175188213 /nfs/dbraw/zinc/18/82/13/175188213.db2.gz YPRPSSGJDXARKV-NSHDSACASA-N 1 3 252.789 3.072 20 0 CGADHO C[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)[C@@H]1CC[NH3+] ZINC000404330065 416552409 /nfs/dbraw/zinc/55/24/09/416552409.db2.gz YLUOAALQVXZPRI-SWLSCSKDSA-N 1 3 298.377 3.237 20 0 CGADHO Cc1ccc(CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000680061073 543682327 /nfs/dbraw/zinc/68/23/27/543682327.db2.gz PEYJTSVARYDVSP-UHFFFAOYSA-N 1 3 295.430 3.145 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCOC2CCCCCC2)[C@H](C)C1 ZINC000131563305 287383566 /nfs/dbraw/zinc/38/35/66/287383566.db2.gz UQEHNINKMWOMLW-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCOC2CCCCCC2)[C@H](C)C1 ZINC000131563305 287383568 /nfs/dbraw/zinc/38/35/68/287383568.db2.gz UQEHNINKMWOMLW-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]1C[C@H]1C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108885 543895300 /nfs/dbraw/zinc/89/53/00/543895300.db2.gz AEOFSGSPVRXWGU-RDJZCZTQSA-N 1 3 287.451 3.276 20 0 CGADHO C[C@H]1C[C@H]1C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000683108885 543895303 /nfs/dbraw/zinc/89/53/03/543895303.db2.gz AEOFSGSPVRXWGU-RDJZCZTQSA-N 1 3 287.451 3.276 20 0 CGADHO CN(C)CCOc1ccc(C[N@H+](C)C2(C)CCCC2)cc1 ZINC000683847972 543948350 /nfs/dbraw/zinc/94/83/50/543948350.db2.gz WGJKKNPVSUXEMD-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CN(C)CCOc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1 ZINC000683847972 543948353 /nfs/dbraw/zinc/94/83/53/543948353.db2.gz WGJKKNPVSUXEMD-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CC1=C(C)CN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000684614452 544019993 /nfs/dbraw/zinc/01/99/93/544019993.db2.gz NSOOCZQVKGKEIV-UHFFFAOYSA-N 1 3 288.435 3.169 20 0 CGADHO c1c2ccccc2[nH]c1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000684425728 543998574 /nfs/dbraw/zinc/99/85/74/543998574.db2.gz MGAPSUVNVQIOFP-UHFFFAOYSA-N 1 3 283.419 3.274 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000685839453 544100628 /nfs/dbraw/zinc/10/06/28/544100628.db2.gz KOJONYFXIUWSKW-KRWDZBQOSA-N 1 3 298.474 3.065 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685839453 544100632 /nfs/dbraw/zinc/10/06/32/544100632.db2.gz KOJONYFXIUWSKW-KRWDZBQOSA-N 1 3 298.474 3.065 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000685839453 544100635 /nfs/dbraw/zinc/10/06/35/544100635.db2.gz KOJONYFXIUWSKW-KRWDZBQOSA-N 1 3 298.474 3.065 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000685839453 544100639 /nfs/dbraw/zinc/10/06/39/544100639.db2.gz KOJONYFXIUWSKW-KRWDZBQOSA-N 1 3 298.474 3.065 20 0 CGADHO COc1cccc(C2(N[C@@H]3CC[N@H+](C)[C@H](C)C3)CCC2)c1 ZINC000658323472 418935276 /nfs/dbraw/zinc/93/52/76/418935276.db2.gz LWKNKQNMYJRNCZ-GDBMZVCRSA-N 1 3 288.435 3.147 20 0 CGADHO COc1cccc(C2(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CCC2)c1 ZINC000658323472 418935278 /nfs/dbraw/zinc/93/52/78/418935278.db2.gz LWKNKQNMYJRNCZ-GDBMZVCRSA-N 1 3 288.435 3.147 20 0 CGADHO CO[C@H](CNC1CC[NH+](CC(C)C)CC1)C1CCCCC1 ZINC000658331708 418939326 /nfs/dbraw/zinc/93/93/26/418939326.db2.gz YOYPZWNQWSDDSF-GOSISDBHSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCCCOc1ccccc1 ZINC000653279961 419023099 /nfs/dbraw/zinc/02/30/99/419023099.db2.gz PHMYBRPIILZKGT-HZPDHXFCSA-N 1 3 276.424 3.047 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC000665237438 419088748 /nfs/dbraw/zinc/08/87/48/419088748.db2.gz AUTSWJKFUOVVCM-LSDHHAIUSA-N 1 3 272.417 3.385 20 0 CGADHO CC1(C)[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1(F)F ZINC000665274088 419097901 /nfs/dbraw/zinc/09/79/01/419097901.db2.gz JKSROHOVHVEEBE-RQJABVFESA-N 1 3 286.410 3.178 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000665277971 419099217 /nfs/dbraw/zinc/09/92/17/419099217.db2.gz RHLITGRMZIWGHZ-FZBQFSLMSA-N 1 3 270.420 3.054 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cccc(Cl)c1 ZINC000665280310 419101336 /nfs/dbraw/zinc/10/13/36/419101336.db2.gz YEQRTBSFRGWUBU-SMDDNHRTSA-N 1 3 254.805 3.364 20 0 CGADHO CCO[C@@H]1C[C@@H](NCC[C@@H]([NH3+])C(C)C)C12CCCCC2 ZINC000665280783 419101380 /nfs/dbraw/zinc/10/13/80/419101380.db2.gz LFPPCCQHBGEDFV-BZUAXINKSA-N 1 3 282.472 3.077 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](N)C(C)C)C12CCCCC2 ZINC000665280783 419101383 /nfs/dbraw/zinc/10/13/83/419101383.db2.gz LFPPCCQHBGEDFV-BZUAXINKSA-N 1 3 282.472 3.077 20 0 CGADHO COCC1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000655818880 419108076 /nfs/dbraw/zinc/10/80/76/419108076.db2.gz VYDFEHXYLFQQOU-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO COCC1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000655818880 419108080 /nfs/dbraw/zinc/10/80/80/419108080.db2.gz VYDFEHXYLFQQOU-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CCC(CC)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000665300565 419112486 /nfs/dbraw/zinc/11/24/86/419112486.db2.gz FCLPEVFHGRQAHM-HZPDHXFCSA-N 1 3 278.415 3.353 20 0 CGADHO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000660256045 419113823 /nfs/dbraw/zinc/11/38/23/419113823.db2.gz IMKIAWGQVVNQPF-QILLFSRXSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CCC1 ZINC000660256045 419113828 /nfs/dbraw/zinc/11/38/28/419113828.db2.gz IMKIAWGQVVNQPF-QILLFSRXSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000660256045 419113832 /nfs/dbraw/zinc/11/38/32/419113832.db2.gz IMKIAWGQVVNQPF-QILLFSRXSA-N 1 3 294.483 3.044 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](CC)CC(F)F)C1 ZINC000659982730 419052043 /nfs/dbraw/zinc/05/20/43/419052043.db2.gz VQAQRMCJLVODTC-UONOGXRCSA-N 1 3 276.415 3.332 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](CC)CC(F)F)C1 ZINC000659982730 419052046 /nfs/dbraw/zinc/05/20/46/419052046.db2.gz VQAQRMCJLVODTC-UONOGXRCSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982730 419052048 /nfs/dbraw/zinc/05/20/48/419052048.db2.gz VQAQRMCJLVODTC-UONOGXRCSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000659982730 419052051 /nfs/dbraw/zinc/05/20/51/419052051.db2.gz VQAQRMCJLVODTC-UONOGXRCSA-N 1 3 276.415 3.332 20 0 CGADHO CC[C@H](c1ccccc1)N1CC2CCC1(C[NH3+])CC2 ZINC000655943607 419129031 /nfs/dbraw/zinc/12/90/31/419129031.db2.gz RMDAGYCDMLMTBI-ARWYELJZSA-N 1 3 258.409 3.341 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C1 ZINC000656196893 419147998 /nfs/dbraw/zinc/14/79/98/419147998.db2.gz SJIQUJIGFBVOGT-KBPBESRZSA-N 1 3 291.826 3.223 20 0 CGADHO COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000656201121 419149613 /nfs/dbraw/zinc/14/96/13/419149613.db2.gz KDSXYPZGMBNTNB-RCBQFDQVSA-N 1 3 276.424 3.172 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1cccc(F)c1)C2 ZINC000660662016 419180234 /nfs/dbraw/zinc/18/02/34/419180234.db2.gz GVDZEDINLVAJQM-SFHVURJKSA-N 1 3 290.426 3.176 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCc1cccc(F)c1)C2 ZINC000660662016 419180238 /nfs/dbraw/zinc/18/02/38/419180238.db2.gz GVDZEDINLVAJQM-SFHVURJKSA-N 1 3 290.426 3.176 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC(F)(F)CC1)C2 ZINC000660665517 419180256 /nfs/dbraw/zinc/18/02/56/419180256.db2.gz WLYXUNLNIZDHOR-OAHLLOKOSA-N 1 3 286.410 3.230 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC1CCC(F)(F)CC1)C2 ZINC000660665517 419180258 /nfs/dbraw/zinc/18/02/58/419180258.db2.gz WLYXUNLNIZDHOR-OAHLLOKOSA-N 1 3 286.410 3.230 20 0 CGADHO CN(CCCc1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655938179 419128570 /nfs/dbraw/zinc/12/85/70/419128570.db2.gz OMIANRVODBYPGY-PBWFPOADSA-N 1 3 294.389 3.112 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)c1ccccn1 ZINC000656783601 419218745 /nfs/dbraw/zinc/21/87/45/419218745.db2.gz QZIQDTXICNXJDZ-BZUAXINKSA-N 1 3 275.440 3.086 20 0 CGADHO Fc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656787069 419219607 /nfs/dbraw/zinc/21/96/07/419219607.db2.gz ZVKZRRQNVXOVRM-MRXNPFEDSA-N 1 3 276.399 3.037 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000656790631 419220549 /nfs/dbraw/zinc/22/05/49/419220549.db2.gz FMRUUYQZGZMWIM-BSDSXHPESA-N 1 3 270.420 3.184 20 0 CGADHO C[NH+](C)CCOc1ccc(CN2CC(C(C)(C)C)C2)cc1 ZINC000656829188 419223422 /nfs/dbraw/zinc/22/34/22/419223422.db2.gz CWCZDJPPGLIALE-UHFFFAOYSA-N 1 3 290.451 3.105 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@]2(C)CC=CCC2)cc1 ZINC000657250326 419237086 /nfs/dbraw/zinc/23/70/86/419237086.db2.gz LAOMFQOCZRRYJX-GOSISDBHSA-N 1 3 288.435 3.215 20 0 CGADHO Fc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(F)c1F ZINC000657450220 419281129 /nfs/dbraw/zinc/28/11/29/419281129.db2.gz NOYJUJLGHJTWPP-UHFFFAOYSA-N 1 3 298.352 3.068 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838498 419303092 /nfs/dbraw/zinc/30/30/92/419303092.db2.gz GFLFXOIAXVRIJQ-BZUAXINKSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838498 419303094 /nfs/dbraw/zinc/30/30/94/419303094.db2.gz GFLFXOIAXVRIJQ-BZUAXINKSA-N 1 3 294.483 3.187 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838498 419303095 /nfs/dbraw/zinc/30/30/95/419303095.db2.gz GFLFXOIAXVRIJQ-BZUAXINKSA-N 1 3 294.483 3.187 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657716776 419332367 /nfs/dbraw/zinc/33/23/67/419332367.db2.gz STAJCDXOYOQIEU-XMTFNYHQSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657716776 419332368 /nfs/dbraw/zinc/33/23/68/419332368.db2.gz STAJCDXOYOQIEU-XMTFNYHQSA-N 1 3 270.420 3.149 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCCSCC1 ZINC000657867630 419393564 /nfs/dbraw/zinc/39/35/64/419393564.db2.gz IIRGYACXSQWRCB-OAHLLOKOSA-N 1 3 272.502 3.374 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CC2CC1(c1ccccc1)C2 ZINC000662331589 419393598 /nfs/dbraw/zinc/39/35/98/419393598.db2.gz NYRAUHNIGGEWSP-NXYGQSRBSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CC2CC1(c1ccccc1)C2 ZINC000662331589 419393605 /nfs/dbraw/zinc/39/36/05/419393605.db2.gz NYRAUHNIGGEWSP-NXYGQSRBSA-N 1 3 270.420 3.092 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662246183 419373258 /nfs/dbraw/zinc/37/32/58/419373258.db2.gz PGPBJCTYDSGZOI-SOUVJXGZSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662246183 419373262 /nfs/dbraw/zinc/37/32/62/419373262.db2.gz PGPBJCTYDSGZOI-SOUVJXGZSA-N 1 3 252.446 3.262 20 0 CGADHO CC(C)[N@H+](Cc1cccc2c1CCNC2)C1CCC1 ZINC000662254830 419373762 /nfs/dbraw/zinc/37/37/62/419373762.db2.gz AROWAJWTBCNZOW-UHFFFAOYSA-N 1 3 258.409 3.095 20 0 CGADHO CC(C)[N@@H+](Cc1cccc2c1CCNC2)C1CCC1 ZINC000662254830 419373766 /nfs/dbraw/zinc/37/37/66/419373766.db2.gz AROWAJWTBCNZOW-UHFFFAOYSA-N 1 3 258.409 3.095 20 0 CGADHO FC1(F)CCCC[C@@H]1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662277519 419382921 /nfs/dbraw/zinc/38/29/21/419382921.db2.gz VOBFUMFVHAQLQM-RRFJBIMHSA-N 1 3 286.410 3.276 20 0 CGADHO C[C@H]([NH2+]Cc1cccc2c1CCNC2)C1CCCC1 ZINC000662281373 419384530 /nfs/dbraw/zinc/38/45/30/419384530.db2.gz KCSPCPCCUAGQAT-ZDUSSCGKSA-N 1 3 258.409 3.001 20 0 CGADHO FC(F)(F)CCCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293977 419386351 /nfs/dbraw/zinc/38/63/51/419386351.db2.gz VPOXZAOWJAHANL-CQSZACIVSA-N 1 3 292.389 3.431 20 0 CGADHO C([NH2+]C1CCCCC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663346972 419565509 /nfs/dbraw/zinc/56/55/09/419565509.db2.gz DMHMXGAPSFDLNQ-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO CCC(CC)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663347497 419566259 /nfs/dbraw/zinc/56/62/59/419566259.db2.gz MDZVBZRPAVXEEQ-MRXNPFEDSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cc2cnccc2o1 ZINC000658036844 419515466 /nfs/dbraw/zinc/51/54/66/419515466.db2.gz ZCBVANWKYNJBCO-KBPBESRZSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cc2cnccc2o1 ZINC000658036844 419515473 /nfs/dbraw/zinc/51/54/73/419515473.db2.gz ZCBVANWKYNJBCO-KBPBESRZSA-N 1 3 287.407 3.210 20 0 CGADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C(C)C ZINC000658165744 419632008 /nfs/dbraw/zinc/63/20/08/419632008.db2.gz GCEKLJXDBLSENX-GOSISDBHSA-N 1 3 289.467 3.318 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663497861 419635604 /nfs/dbraw/zinc/63/56/04/419635604.db2.gz KXOYKDPDSMORNU-LXPRWKDFSA-N 1 3 272.436 3.130 20 0 CGADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000663511923 419638410 /nfs/dbraw/zinc/63/84/10/419638410.db2.gz ZKCIZYXFDHIMPT-BHYGNILZSA-N 1 3 260.425 3.300 20 0 CGADHO Cc1ccc2cc(CNCC[C@@H]([NH3+])C(C)C)ccc2n1 ZINC000663503328 419639823 /nfs/dbraw/zinc/63/98/23/419639823.db2.gz OPLGWLWIZBULTJ-MRXNPFEDSA-N 1 3 271.408 3.006 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1ccc(Cl)cc1 ZINC000663504189 419639903 /nfs/dbraw/zinc/63/99/03/419639903.db2.gz XRRSQHFCIQSSOB-IUODEOHRSA-N 1 3 268.832 3.234 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000663504189 419639913 /nfs/dbraw/zinc/63/99/13/419639913.db2.gz XRRSQHFCIQSSOB-IUODEOHRSA-N 1 3 268.832 3.234 20 0 CGADHO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663465207 419616510 /nfs/dbraw/zinc/61/65/10/419616510.db2.gz IQCIYYKLEUQKKO-IXDOHACOSA-N 1 3 282.447 3.226 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000663503682 419640697 /nfs/dbraw/zinc/64/06/97/419640697.db2.gz SDVWYUKIUYIKPJ-KSZLIROESA-N 1 3 274.452 3.460 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000663503682 419640703 /nfs/dbraw/zinc/64/07/03/419640703.db2.gz SDVWYUKIUYIKPJ-KSZLIROESA-N 1 3 274.452 3.460 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663471304 419626266 /nfs/dbraw/zinc/62/62/66/419626266.db2.gz XKFOTGHXCAEYSA-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)C[C@@H](CO)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658179103 419645660 /nfs/dbraw/zinc/64/56/60/419645660.db2.gz LWQQIFJFQQRHJF-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@@H](CO)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000658179103 419645668 /nfs/dbraw/zinc/64/56/68/419645668.db2.gz LWQQIFJFQQRHJF-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO CC1(C)CCC[N@H+](CCNc2nccc3[nH]ccc32)C1 ZINC000663848103 419738724 /nfs/dbraw/zinc/73/87/24/419738724.db2.gz ZDXRIOSJZOTGAK-UHFFFAOYSA-N 1 3 272.396 3.097 20 0 CGADHO CC1(C)CCC[N@@H+](CCNc2nccc3[nH]ccc32)C1 ZINC000663848103 419738731 /nfs/dbraw/zinc/73/87/31/419738731.db2.gz ZDXRIOSJZOTGAK-UHFFFAOYSA-N 1 3 272.396 3.097 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000320011852 262383182 /nfs/dbraw/zinc/38/31/82/262383182.db2.gz GMLSMRWGBRPWMA-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000320011852 262383183 /nfs/dbraw/zinc/38/31/83/262383183.db2.gz GMLSMRWGBRPWMA-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000320011852 262383184 /nfs/dbraw/zinc/38/31/84/262383184.db2.gz GMLSMRWGBRPWMA-AUUYWEPGSA-N 1 3 298.430 3.265 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533785 270036053 /nfs/dbraw/zinc/03/60/53/270036053.db2.gz HGNABTTUYJSSMH-GJZGRUSLSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533785 270036055 /nfs/dbraw/zinc/03/60/55/270036055.db2.gz HGNABTTUYJSSMH-GJZGRUSLSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533789 270036562 /nfs/dbraw/zinc/03/65/62/270036562.db2.gz HGNABTTUYJSSMH-LSDHHAIUSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533789 270036564 /nfs/dbraw/zinc/03/65/64/270036564.db2.gz HGNABTTUYJSSMH-LSDHHAIUSA-N 1 3 272.436 3.168 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc2ccccc2c1 ZINC000105480817 270047565 /nfs/dbraw/zinc/04/75/65/270047565.db2.gz JDTBKFNTSCXPBX-KSSFIOAISA-N 1 3 268.404 3.270 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc2ccccc2c1 ZINC000105480817 270047566 /nfs/dbraw/zinc/04/75/66/270047566.db2.gz JDTBKFNTSCXPBX-KSSFIOAISA-N 1 3 268.404 3.270 20 0 CGADHO Fc1cccc(CCC[N@@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000182805771 270054436 /nfs/dbraw/zinc/05/44/36/270054436.db2.gz HDHFYKPEASGNES-KRWDZBQOSA-N 1 3 290.426 3.176 20 0 CGADHO Fc1cccc(CCC[N@H+]2CC[C@@H](CN3CCCC3)C2)c1 ZINC000182805771 270054437 /nfs/dbraw/zinc/05/44/37/270054437.db2.gz HDHFYKPEASGNES-KRWDZBQOSA-N 1 3 290.426 3.176 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000191779910 270076164 /nfs/dbraw/zinc/07/61/64/270076164.db2.gz AHWBMFSWIYJADJ-QGZVFWFLSA-N 1 3 290.451 3.216 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000191779910 270076165 /nfs/dbraw/zinc/07/61/65/270076165.db2.gz AHWBMFSWIYJADJ-QGZVFWFLSA-N 1 3 290.451 3.216 20 0 CGADHO CCC[NH+]1CCC(NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000229281384 270088335 /nfs/dbraw/zinc/08/83/35/270088335.db2.gz GYKHTCXJDFSFDZ-KRWDZBQOSA-N 1 3 294.483 3.332 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000322480434 270093732 /nfs/dbraw/zinc/09/37/32/270093732.db2.gz SYAHMOONWMINSK-JYJNAYRXSA-N 1 3 250.430 3.172 20 0 CGADHO CCc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)ccn1 ZINC000519801648 270097904 /nfs/dbraw/zinc/09/79/04/270097904.db2.gz YRZDVHXHRLVTSR-UHFFFAOYSA-N 1 3 275.440 3.201 20 0 CGADHO CCc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)ccn1 ZINC000519801648 270097905 /nfs/dbraw/zinc/09/79/05/270097905.db2.gz YRZDVHXHRLVTSR-UHFFFAOYSA-N 1 3 275.440 3.201 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000521609954 270102793 /nfs/dbraw/zinc/10/27/93/270102793.db2.gz SJQHOMTZJFKRBP-QEJZJMRPSA-N 1 3 262.397 3.006 20 0 CGADHO CC[C@H](CCc1ccccc1)[NH2+]CC1=CCN(C)CC1 ZINC000527876392 270141406 /nfs/dbraw/zinc/14/14/06/270141406.db2.gz MYJCDLBLWBGIRL-GOSISDBHSA-N 1 3 272.436 3.249 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000529566768 270185356 /nfs/dbraw/zinc/18/53/56/270185356.db2.gz GLWHEQMABODKHF-SFHVURJKSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)CC1 ZINC000529566768 270185357 /nfs/dbraw/zinc/18/53/57/270185357.db2.gz GLWHEQMABODKHF-SFHVURJKSA-N 1 3 297.446 3.332 20 0 CGADHO CC(C)CC[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215891 270195969 /nfs/dbraw/zinc/19/59/69/270195969.db2.gz JZRJZILRRXMIFY-GJZGRUSLSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CC[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530215891 270195970 /nfs/dbraw/zinc/19/59/70/270195970.db2.gz JZRJZILRRXMIFY-GJZGRUSLSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530219327 270196175 /nfs/dbraw/zinc/19/61/75/270196175.db2.gz LJKWGZGXANDNSC-KBUPBQIOSA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219327 270196176 /nfs/dbraw/zinc/19/61/76/270196176.db2.gz LJKWGZGXANDNSC-KBUPBQIOSA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000530242742 270197305 /nfs/dbraw/zinc/19/73/05/270197305.db2.gz CXFSDMIHMRMDIP-UKRRQHHQSA-N 1 3 266.816 3.290 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072640 270221376 /nfs/dbraw/zinc/22/13/76/270221376.db2.gz RVKUXSLLSBVMPS-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072640 270221377 /nfs/dbraw/zinc/22/13/77/270221377.db2.gz RVKUXSLLSBVMPS-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000423276363 273963578 /nfs/dbraw/zinc/96/35/78/273963578.db2.gz OHDNMPSQCRPJIV-CXAGYDPISA-N 1 3 285.435 3.299 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000261559545 274237155 /nfs/dbraw/zinc/23/71/55/274237155.db2.gz DRSOZXUJUWDONS-BBBLOLIVSA-N 1 3 260.303 3.092 20 0 CGADHO c1ccc(CC2CC[NH+]([C@@H]3CCCNCC3)CC2)cc1 ZINC000111824538 275066726 /nfs/dbraw/zinc/06/67/26/275066726.db2.gz KOLYNGPWKHECKG-GOSISDBHSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(CC2CCN([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000111824538 275066727 /nfs/dbraw/zinc/06/67/27/275066727.db2.gz KOLYNGPWKHECKG-GOSISDBHSA-N 1 3 272.436 3.083 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430750216 275512612 /nfs/dbraw/zinc/51/26/12/275512612.db2.gz MZUUQENLUUVCGH-LBPRGKRZSA-N 1 3 274.399 3.274 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCNCC1 ZINC000415109364 275701409 /nfs/dbraw/zinc/70/14/09/275701409.db2.gz PIUOCGPYXORZCZ-IRXDYDNUSA-N 1 3 278.415 3.125 20 0 CGADHO CC1(C)Cc2occc2[C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423422595 275875248 /nfs/dbraw/zinc/87/52/48/275875248.db2.gz BLYYBEKTQZZBKX-XHSDSOJGSA-N 1 3 288.435 3.271 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Cc1ccccc1 ZINC000423073420 276018391 /nfs/dbraw/zinc/01/83/91/276018391.db2.gz RLVNYTGFFMYZDH-BZSNNMDCSA-N 1 3 274.452 3.218 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423378685 276018979 /nfs/dbraw/zinc/01/89/79/276018979.db2.gz MOHJKZJNDCKGSC-XYPHTWIQSA-N 1 3 278.415 3.123 20 0 CGADHO CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC12CCCC2 ZINC000423381160 276106686 /nfs/dbraw/zinc/10/66/86/276106686.db2.gz HTJFEMVHCBSERU-UONOGXRCSA-N 1 3 250.430 3.077 20 0 CGADHO CCCCN(C[C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420328565 276233711 /nfs/dbraw/zinc/23/37/11/276233711.db2.gz ZYWCSUJBALURSH-HNNXBMFYSA-N 1 3 276.424 3.002 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085127961 276325627 /nfs/dbraw/zinc/32/56/27/276325627.db2.gz AIKJAOFGQAQNBY-OLZOCXBDSA-N 1 3 280.378 3.429 20 0 CGADHO CCOC[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000427868990 276331781 /nfs/dbraw/zinc/33/17/81/276331781.db2.gz RLZQGSOXKCNKHR-ZOBUZTSGSA-N 1 3 282.472 3.044 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000349194152 277034720 /nfs/dbraw/zinc/03/47/20/277034720.db2.gz RFICZPLGTPMYHX-WBVHZDCISA-N 1 3 262.441 3.006 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000349194152 277034721 /nfs/dbraw/zinc/03/47/21/277034721.db2.gz RFICZPLGTPMYHX-WBVHZDCISA-N 1 3 262.441 3.006 20 0 CGADHO C[NH2+]CCCN(C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130984 277267495 /nfs/dbraw/zinc/26/74/95/277267495.db2.gz YGJRYTPREZFDOC-DLBZAZTESA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130984 277267498 /nfs/dbraw/zinc/26/74/98/277267498.db2.gz YGJRYTPREZFDOC-DLBZAZTESA-N 1 3 260.425 3.038 20 0 CGADHO CNCCC[N@@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415130984 277267500 /nfs/dbraw/zinc/26/75/00/277267500.db2.gz YGJRYTPREZFDOC-DLBZAZTESA-N 1 3 260.425 3.038 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000328458518 277297526 /nfs/dbraw/zinc/29/75/26/277297526.db2.gz SSCCYYOUHOOCNF-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000328458518 277297527 /nfs/dbraw/zinc/29/75/27/277297527.db2.gz SSCCYYOUHOOCNF-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000328458518 277297528 /nfs/dbraw/zinc/29/75/28/277297528.db2.gz SSCCYYOUHOOCNF-HUUCEWRRSA-N 1 3 250.430 3.029 20 0 CGADHO CN[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423384839 277298999 /nfs/dbraw/zinc/29/89/99/277298999.db2.gz IBBICYGMIGECSH-MLGOLLRUSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)CN1CCCC1 ZINC000338000209 287955584 /nfs/dbraw/zinc/95/55/84/287955584.db2.gz VARDAMGUBCBTGS-OWCLPIDISA-N 1 3 270.436 3.226 20 0 CGADHO C[C@@H]([C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1)C1CCCCC1 ZINC000423396511 277645940 /nfs/dbraw/zinc/64/59/40/277645940.db2.gz UGDFMFXLQVKUCM-ORIJERBGSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000070346732 277816847 /nfs/dbraw/zinc/81/68/47/277816847.db2.gz SNBWKBMUHLCAFO-ZFWWWQNUSA-N 1 3 282.472 3.089 20 0 CGADHO C[C@@H]1CCCC[C@@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000394797443 288004252 /nfs/dbraw/zinc/00/42/52/288004252.db2.gz QNRYIDDMTRHIQY-GDBMZVCRSA-N 1 3 264.457 3.277 20 0 CGADHO C[N@H+](CCCNC1CC(C)(C)C1)C1CCCCC1 ZINC000395303350 288007821 /nfs/dbraw/zinc/00/78/21/288007821.db2.gz SHPHJQYZQQLYMY-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO C[N@@H+](CCCNC1CC(C)(C)C1)C1CCCCC1 ZINC000395303350 288007823 /nfs/dbraw/zinc/00/78/23/288007823.db2.gz SHPHJQYZQQLYMY-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](CCN[C@@H]1COC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000396853018 288017072 /nfs/dbraw/zinc/01/70/72/288017072.db2.gz NCZOOKVBLLKSCR-WBVHZDCISA-N 1 3 290.451 3.054 20 0 CGADHO C[C@H](CCN[C@@H]1COC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000396853018 288017073 /nfs/dbraw/zinc/01/70/73/288017073.db2.gz NCZOOKVBLLKSCR-WBVHZDCISA-N 1 3 290.451 3.054 20 0 CGADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000049553683 278229256 /nfs/dbraw/zinc/22/92/56/278229256.db2.gz QLMBURASZHNYMY-KBPBESRZSA-N 1 3 260.425 3.166 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1C[C@H]1C ZINC000414118008 278254203 /nfs/dbraw/zinc/25/42/03/278254203.db2.gz UDMKJJVSOFOYJH-JKIFEVAISA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@H]1CC1(C)C ZINC000397664941 288026520 /nfs/dbraw/zinc/02/65/20/288026520.db2.gz DFFUWWTYIHWBCD-DGCLKSJQSA-N 1 3 252.446 3.320 20 0 CGADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)C1CCC(C(F)(F)F)CC1 ZINC000423559201 278270482 /nfs/dbraw/zinc/27/04/82/278270482.db2.gz ORTSONCUCZEKHJ-GFJIZPEISA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nccc2ccccc21 ZINC000423429583 278278220 /nfs/dbraw/zinc/27/82/20/278278220.db2.gz HGDDTBRVIFEKEV-DOPJRALCSA-N 1 3 295.430 3.274 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)[C@H]1CCOC1 ZINC000358440342 288079842 /nfs/dbraw/zinc/07/98/42/288079842.db2.gz ACMGFIMCFZRIKB-CVYDXHPNSA-N 1 3 294.483 3.044 20 0 CGADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000474479859 279735321 /nfs/dbraw/zinc/73/53/21/279735321.db2.gz SROCKCIOSXBAQC-BDXSIMOUSA-N 1 3 296.499 3.149 20 0 CGADHO C[NH+]1CCC(CNCc2ccsc2C(F)(F)F)CC1 ZINC000527655183 288183146 /nfs/dbraw/zinc/18/31/46/288183146.db2.gz YWHNPBHNQPBZKZ-UHFFFAOYSA-N 1 3 292.370 3.198 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H](N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000414768416 280173708 /nfs/dbraw/zinc/17/37/08/280173708.db2.gz VAPPQUXJLDEGAI-CEXWTWQISA-N 1 3 284.447 3.182 20 0 CGADHO CC(C)[C@H]([NH3+])CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414787869 280286866 /nfs/dbraw/zinc/28/68/66/280286866.db2.gz CVKUOWICHQDTFX-SMDDNHRTSA-N 1 3 288.357 3.382 20 0 CGADHO CC(C)[C@H](NCCC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000353540285 280324539 /nfs/dbraw/zinc/32/45/39/280324539.db2.gz GMPBAODZXAUEEB-KRWDZBQOSA-N 1 3 293.430 3.239 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530209416 288300042 /nfs/dbraw/zinc/30/00/42/288300042.db2.gz HKNXEOXTJIYCNT-HNAYVOBHSA-N 1 3 286.463 3.159 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCCC[NH+]1CCCC1)[C@H](C)C2 ZINC000491329573 281116967 /nfs/dbraw/zinc/11/69/67/281116967.db2.gz MZHXNPLGLBODQE-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1)[C@H](C)C2 ZINC000491329573 281116969 /nfs/dbraw/zinc/11/69/69/281116969.db2.gz MZHXNPLGLBODQE-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178471 288295415 /nfs/dbraw/zinc/29/54/15/288295415.db2.gz LNGVTMKWDUSMNW-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530178471 288295419 /nfs/dbraw/zinc/29/54/19/288295419.db2.gz LNGVTMKWDUSMNW-ILXRZTDVSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000530179785 288296322 /nfs/dbraw/zinc/29/63/22/288296322.db2.gz XHUKNBVQFVSCLB-DZKIICNBSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC12CCN(C)CC2 ZINC000530389593 288303420 /nfs/dbraw/zinc/30/34/20/288303420.db2.gz QWWQRZMZIZXLHO-AWEZNQCLSA-N 1 3 278.465 3.239 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+]1CCCC12CCN(C)CC2 ZINC000530389593 288303422 /nfs/dbraw/zinc/30/34/22/288303422.db2.gz QWWQRZMZIZXLHO-AWEZNQCLSA-N 1 3 278.465 3.239 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000531699758 288340741 /nfs/dbraw/zinc/34/07/41/288340741.db2.gz FVUIYVQKAZGTHR-HOTGVXAUSA-N 1 3 252.446 3.443 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000531699761 288340753 /nfs/dbraw/zinc/34/07/53/288340753.db2.gz FVUIYVQKAZGTHR-JKSUJKDBSA-N 1 3 252.446 3.443 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCOCC1 ZINC000532442739 288361005 /nfs/dbraw/zinc/36/10/05/288361005.db2.gz IFUJRZAHBRPZIA-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cc(NC[C@H](c2ccc(Cl)cc2)N(C)C)cc[nH+]1 ZINC000547825750 288978958 /nfs/dbraw/zinc/97/89/58/288978958.db2.gz FRWWHIVNPOUZHG-MRXNPFEDSA-N 1 3 289.810 3.180 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC000550930850 289091765 /nfs/dbraw/zinc/09/17/65/289091765.db2.gz KPVZWBNZASPCQJ-DLBZAZTESA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)C2CCCCC2)CC1 ZINC000551275524 289108145 /nfs/dbraw/zinc/10/81/45/289108145.db2.gz VFDOKJIRGBIVNZ-MRXNPFEDSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)C2CCCCC2)CC1 ZINC000551275524 289108147 /nfs/dbraw/zinc/10/81/47/289108147.db2.gz VFDOKJIRGBIVNZ-MRXNPFEDSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000552239461 289174217 /nfs/dbraw/zinc/17/42/17/289174217.db2.gz MQPYYNOYHAKKQZ-DLBZAZTESA-N 1 3 260.425 3.272 20 0 CGADHO CC(C)C[C@@H](C)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552560260 289192731 /nfs/dbraw/zinc/19/27/31/289192731.db2.gz QLTBUGDBTJRZJB-ZACQAIPSSA-N 1 3 296.499 3.242 20 0 CGADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000554385498 289280245 /nfs/dbraw/zinc/28/02/45/289280245.db2.gz ALRKSSLAOFNRDG-ANQUJSFKSA-N 1 3 264.457 3.418 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119306 289374508 /nfs/dbraw/zinc/37/45/08/289374508.db2.gz BPFVSVHUDSEWON-DLBZAZTESA-N 1 3 294.483 3.284 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000336119306 289374509 /nfs/dbraw/zinc/37/45/09/289374509.db2.gz BPFVSVHUDSEWON-DLBZAZTESA-N 1 3 294.483 3.284 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]CC2CCCCCC2)C[C@@H](C)O1 ZINC000557732088 289456711 /nfs/dbraw/zinc/45/67/11/289456711.db2.gz LVAVYWUOTZFDAQ-IAGOWNOFSA-N 1 3 296.499 3.436 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2ncc(-c3ccccc3)s2)C1 ZINC000562748092 289732296 /nfs/dbraw/zinc/73/22/96/289732296.db2.gz NKQRYRURMOTVQV-JSGCOSHPSA-N 1 3 287.432 3.027 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000422759627 293260894 /nfs/dbraw/zinc/26/08/94/293260894.db2.gz FVJDDTZSRLBQHP-FIRUKDTASA-N 1 3 275.440 3.324 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422986672 293261673 /nfs/dbraw/zinc/26/16/73/293261673.db2.gz DDUDVISDSPFKEM-JQWIXIFHSA-N 1 3 283.366 3.077 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000423144461 295271045 /nfs/dbraw/zinc/27/10/45/295271045.db2.gz GYUCGYDRFUCNDD-VFVAKGGASA-N 1 3 280.362 3.059 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000422784685 295332805 /nfs/dbraw/zinc/33/28/05/295332805.db2.gz QCXAYRJJUZPIMG-KBPBESRZSA-N 1 3 286.341 3.455 20 0 CGADHO C[C@H](CC(C)(C)O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449449248 298324280 /nfs/dbraw/zinc/32/42/80/298324280.db2.gz KZKBNUNARMBWQA-ZMSDIMECSA-N 1 3 296.499 3.169 20 0 CGADHO C[C@H](CC(C)(C)O)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449449248 298324283 /nfs/dbraw/zinc/32/42/83/298324283.db2.gz KZKBNUNARMBWQA-ZMSDIMECSA-N 1 3 296.499 3.169 20 0 CGADHO Cc1ccccc1C1(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422900847 302094207 /nfs/dbraw/zinc/09/42/07/302094207.db2.gz KAGAWKLPQDJSQA-WBVHZDCISA-N 1 3 272.436 3.004 20 0 CGADHO Cc1ccccc1C1(CN[C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422900847 302094210 /nfs/dbraw/zinc/09/42/10/302094210.db2.gz KAGAWKLPQDJSQA-WBVHZDCISA-N 1 3 272.436 3.004 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H](C)N(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262028301 302168571 /nfs/dbraw/zinc/16/85/71/302168571.db2.gz NSNBRVBRSHTTGY-JZXOWHBKSA-N 1 3 272.436 3.172 20 0 CGADHO CCCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000564657317 322037584 /nfs/dbraw/zinc/03/75/84/322037584.db2.gz YVNWSIBVMOCDCV-KGLIPLIRSA-N 1 3 294.439 3.090 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000564823096 322045018 /nfs/dbraw/zinc/04/50/18/322045018.db2.gz RGLRKJXSNBGWMD-JHJVBQTASA-N 1 3 292.389 3.475 20 0 CGADHO CCc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000565774892 322090858 /nfs/dbraw/zinc/09/08/58/322090858.db2.gz WWJFRSFIRVAAQX-CQSZACIVSA-N 1 3 278.465 3.132 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000566555746 322129470 /nfs/dbraw/zinc/12/94/70/322129470.db2.gz VCPPJCCYJZYQRX-COXVUDFISA-N 1 3 288.435 3.180 20 0 CGADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1CN ZINC000566555746 322129471 /nfs/dbraw/zinc/12/94/71/322129471.db2.gz VCPPJCCYJZYQRX-COXVUDFISA-N 1 3 288.435 3.180 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000567415588 322162666 /nfs/dbraw/zinc/16/26/66/322162666.db2.gz GRLGEVMBZLQPFR-PMPSAXMXSA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)C1 ZINC000567429732 322162986 /nfs/dbraw/zinc/16/29/86/322162986.db2.gz ZTNCJDWPIZPTRQ-NWDGAFQWSA-N 1 3 266.351 3.037 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000568412761 322208583 /nfs/dbraw/zinc/20/85/83/322208583.db2.gz ILQZGKSERVYKOC-XHBSWPGZSA-N 1 3 280.362 3.202 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H](NCCC[NH2+]C(C)C)C1 ZINC000568974410 322229533 /nfs/dbraw/zinc/22/95/33/322229533.db2.gz PZTWAGRZKDFSBW-DLBZAZTESA-N 1 3 289.467 3.394 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCNC(C)C)C1 ZINC000568974410 322229536 /nfs/dbraw/zinc/22/95/36/322229536.db2.gz PZTWAGRZKDFSBW-DLBZAZTESA-N 1 3 289.467 3.394 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC000569473158 322248398 /nfs/dbraw/zinc/24/83/98/322248398.db2.gz VOJZDVBJGBJDKP-LSDHHAIUSA-N 1 3 266.816 3.132 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3ccccc32)cc1 ZINC000569577022 322250997 /nfs/dbraw/zinc/25/09/97/322250997.db2.gz VVDYJLZBUZPLDT-GOSISDBHSA-N 1 3 266.388 3.313 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000569872940 322259411 /nfs/dbraw/zinc/25/94/11/322259411.db2.gz IGFMFVUEFVEKQY-CRAIPNDOSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@]1(C)CCCO1 ZINC000569872940 322259413 /nfs/dbraw/zinc/25/94/13/322259413.db2.gz IGFMFVUEFVEKQY-CRAIPNDOSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(-c2ccncc2)c1 ZINC000570271899 322269339 /nfs/dbraw/zinc/26/93/39/322269339.db2.gz NHGUZYJSWMDXQM-FZKQIMNGSA-N 1 3 281.403 3.137 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000570507870 322275003 /nfs/dbraw/zinc/27/50/03/322275003.db2.gz KDCKXIBUEPFKQA-NVXWUHKLSA-N 1 3 275.440 3.086 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000570507870 322275004 /nfs/dbraw/zinc/27/50/04/322275004.db2.gz KDCKXIBUEPFKQA-NVXWUHKLSA-N 1 3 275.440 3.086 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000570536270 322276188 /nfs/dbraw/zinc/27/61/88/322276188.db2.gz HMNJRHMRNQNUKN-JYJNAYRXSA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000570536270 322276189 /nfs/dbraw/zinc/27/61/89/322276189.db2.gz HMNJRHMRNQNUKN-JYJNAYRXSA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000570536270 322276191 /nfs/dbraw/zinc/27/61/91/322276191.db2.gz HMNJRHMRNQNUKN-JYJNAYRXSA-N 1 3 278.827 3.302 20 0 CGADHO Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000388821105 328498158 /nfs/dbraw/zinc/49/81/58/328498158.db2.gz WHLJRZAINDWGRE-HZPDHXFCSA-N 1 3 262.441 3.103 20 0 CGADHO CC(C)C1([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000576093994 335152379 /nfs/dbraw/zinc/15/23/79/335152379.db2.gz IGNPXHQZHWLCNV-HNNXBMFYSA-N 1 3 290.451 3.466 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C1 ZINC000577123953 335304772 /nfs/dbraw/zinc/30/47/72/335304772.db2.gz ALOWSNYYKQVDJS-RVMXOQNASA-N 1 3 278.362 3.357 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccoc2)CC1 ZINC000177948211 335406305 /nfs/dbraw/zinc/40/63/05/335406305.db2.gz SIKNELSZXBGAAD-ZDUSSCGKSA-N 1 3 250.386 3.052 20 0 CGADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000578434011 335633398 /nfs/dbraw/zinc/63/33/98/335633398.db2.gz XVNCQBNEXJSJCA-GVDBMIGSSA-N 1 3 276.424 3.031 20 0 CGADHO Cc1cccc([C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581607942 336111425 /nfs/dbraw/zinc/11/14/25/336111425.db2.gz CXBLEMIKNZSTOT-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCCNC3)c1 ZINC000581607942 336111427 /nfs/dbraw/zinc/11/14/27/336111427.db2.gz CXBLEMIKNZSTOT-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@]3(C2)CCCNC3)c1 ZINC000581607942 336111430 /nfs/dbraw/zinc/11/14/30/336111430.db2.gz CXBLEMIKNZSTOT-RDJZCZTQSA-N 1 3 258.409 3.132 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000581982252 336184192 /nfs/dbraw/zinc/18/41/92/336184192.db2.gz SXLKDPDXPDUVKF-QGZVFWFLSA-N 1 3 288.435 3.147 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000582003224 336189106 /nfs/dbraw/zinc/18/91/06/336189106.db2.gz BEXWJWZNHYXFRC-MOPGFXCFSA-N 1 3 294.442 3.314 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391114 533773647 /nfs/dbraw/zinc/77/36/47/533773647.db2.gz PIMZKEYJZYDEPD-CYBMUJFWSA-N 1 3 258.409 3.348 20 0 CGADHO COc1cccc2c(CN[C@H](C)CC[NH+](C)C)cccc12 ZINC000449107583 533839675 /nfs/dbraw/zinc/83/96/75/533839675.db2.gz MWZORZXCTULRBN-CQSZACIVSA-N 1 3 286.419 3.278 20 0 CGADHO CS[C@@H]1CC[C@@H]1NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000425366406 533985343 /nfs/dbraw/zinc/98/53/43/533985343.db2.gz ZZEXCRPVZOGJSF-BHYGNILZSA-N 1 3 292.492 3.381 20 0 CGADHO CS[C@@H]1CC[C@@H]1NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000425366406 533985346 /nfs/dbraw/zinc/98/53/46/533985346.db2.gz ZZEXCRPVZOGJSF-BHYGNILZSA-N 1 3 292.492 3.381 20 0 CGADHO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1C[C@H]1C ZINC000423359228 533993457 /nfs/dbraw/zinc/99/34/57/533993457.db2.gz CYYSWAFRUPYVPG-KKVJTYSWSA-N 1 3 294.389 3.044 20 0 CGADHO c1ccc([C@H](NC[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000423327699 534500501 /nfs/dbraw/zinc/50/05/01/534500501.db2.gz DEYKCDOLNFOVPP-YOEHRIQHSA-N 1 3 258.409 3.117 20 0 CGADHO CCc1nocc1CNCC1CC[NH+](CCC(C)C)CC1 ZINC000339294244 522938034 /nfs/dbraw/zinc/93/80/34/522938034.db2.gz ZOUPTBKVCGDGDF-UHFFFAOYSA-N 1 3 293.455 3.085 20 0 CGADHO C[C@H](CCc1ccco1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157278111 524262698 /nfs/dbraw/zinc/26/26/98/524262698.db2.gz FKSHXAHPWFMWEE-OAUYIBNBSA-N 1 3 270.376 3.335 20 0 CGADHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816375 524479180 /nfs/dbraw/zinc/47/91/80/524479180.db2.gz YOICTPGEHVXNRC-SUMWQHHRSA-N 1 3 285.435 3.475 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)CC[NH+](C)C ZINC000049553470 525519265 /nfs/dbraw/zinc/51/92/65/525519265.db2.gz QNPKLDUFDLPGBZ-DYVFJYSZSA-N 1 3 276.424 3.002 20 0 CGADHO C[C@H](c1nc2ccccc2s1)N(C)CC1CC[NH2+]CC1 ZINC000094010961 526180370 /nfs/dbraw/zinc/18/03/70/526180370.db2.gz ULWYXBIWNXBDHG-GFCCVEGCSA-N 1 3 289.448 3.289 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157966474 526512967 /nfs/dbraw/zinc/51/29/67/526512967.db2.gz YVMWLOWSJUGABT-SOUVJXGZSA-N 1 3 288.460 3.092 20 0 CGADHO c1ccc2c(c1)SC[C@@H]2CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157966474 526512973 /nfs/dbraw/zinc/51/29/73/526512973.db2.gz YVMWLOWSJUGABT-SOUVJXGZSA-N 1 3 288.460 3.092 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCOC2)CC1 ZINC000449077511 527647623 /nfs/dbraw/zinc/64/76/23/527647623.db2.gz JTXNGCPEQYAHJP-OAHLLOKOSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)CC(C)(C)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000449077511 527647629 /nfs/dbraw/zinc/64/76/29/527647629.db2.gz JTXNGCPEQYAHJP-OAHLLOKOSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)C[C@H](NCCC[NH3+])c1ccc(F)cc1 ZINC000423192994 527702105 /nfs/dbraw/zinc/70/21/05/527702105.db2.gz QLZVSRDZGONNOY-AWEZNQCLSA-N 1 3 252.377 3.241 20 0 CGADHO CCC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)COC1 ZINC000449599752 527746643 /nfs/dbraw/zinc/74/66/43/527746643.db2.gz LQVDXSGBNVQSDX-NVXWUHKLSA-N 1 3 294.483 3.046 20 0 CGADHO CCC1CC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000423483271 527823703 /nfs/dbraw/zinc/82/37/03/527823703.db2.gz YVBCCTNCCSKGLR-VXCIWXLGSA-N 1 3 290.426 3.297 20 0 CGADHO CCC1CC(NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423483271 527823709 /nfs/dbraw/zinc/82/37/09/527823709.db2.gz YVBCCTNCCSKGLR-VXCIWXLGSA-N 1 3 290.426 3.297 20 0 CGADHO CC(C)CC[C@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000449246246 527860767 /nfs/dbraw/zinc/86/07/67/527860767.db2.gz DAWVPDFLQZOBME-RDJZCZTQSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)CC[C@](C)(O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000358720053 527865350 /nfs/dbraw/zinc/86/53/50/527865350.db2.gz KFPYGVAOCTYEKY-KRWDZBQOSA-N 1 3 284.488 3.026 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423315561 528164515 /nfs/dbraw/zinc/16/45/15/528164515.db2.gz IZIBTEYTXJTBEG-GUYCJALGSA-N 1 3 276.424 3.109 20 0 CGADHO CCN(CC)[C@@H](CNc1cc[nH+]cc1C)c1ccsc1 ZINC000359439540 528235016 /nfs/dbraw/zinc/23/50/16/528235016.db2.gz OCBQOGCOWXVMDK-INIZCTEOSA-N 1 3 289.448 3.368 20 0 CGADHO CC(C)Sc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423295538 528328982 /nfs/dbraw/zinc/32/89/82/528328982.db2.gz FBQFZSUBFAWGJP-OLZOCXBDSA-N 1 3 266.454 3.433 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)Cc1ccccc1C(F)(F)F ZINC000423284489 528534689 /nfs/dbraw/zinc/53/46/89/528534689.db2.gz YCQZQKJWXPZPOZ-RISCZKNCSA-N 1 3 288.357 3.209 20 0 CGADHO CCCCOc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422893776 528694717 /nfs/dbraw/zinc/69/47/17/528694717.db2.gz RGBZJWUBXKRBQL-ZIAGYGMSSA-N 1 3 264.413 3.081 20 0 CGADHO CCC(CC)[C@@H](CNc1ccnc(C)c1)[NH+]1CCCC1 ZINC000358140694 528819670 /nfs/dbraw/zinc/81/96/70/528819670.db2.gz VHIFXYUHJPQHPT-QGZVFWFLSA-N 1 3 275.440 3.124 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)CCc1ccc(F)cc1F ZINC000423291526 528953172 /nfs/dbraw/zinc/95/31/72/528953172.db2.gz ISHJRSAEIIPGKQ-GFCCVEGCSA-N 1 3 284.394 3.393 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](Cc1ccccc1C)C1CC1 ZINC000423288966 528953999 /nfs/dbraw/zinc/95/39/99/528953999.db2.gz ADXUBDNHMKXXTB-QGZVFWFLSA-N 1 3 274.452 3.423 20 0 CGADHO CCC[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)OC ZINC000449374963 528955093 /nfs/dbraw/zinc/95/50/93/528955093.db2.gz GZBHPGHALJDHRL-KRWDZBQOSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423271364 529070231 /nfs/dbraw/zinc/07/02/31/529070231.db2.gz IZZLEWZLYYRBIA-HUUCEWRRSA-N 1 3 266.816 3.364 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccc(Cl)cc1 ZINC000423257927 529172924 /nfs/dbraw/zinc/17/29/24/529172924.db2.gz ASQIDMQYGZGHAK-ZIAGYGMSSA-N 1 3 254.805 3.364 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(OC(F)(F)F)cc1 ZINC000423456600 529173791 /nfs/dbraw/zinc/17/37/91/529173791.db2.gz DRYYFXRVMMAAMD-WCQYABFASA-N 1 3 290.329 3.363 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(Cl)c1 ZINC000423313565 529178660 /nfs/dbraw/zinc/17/86/60/529178660.db2.gz FWBVNNLQPCOFHQ-UONOGXRCSA-N 1 3 252.789 3.118 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423290350 529246268 /nfs/dbraw/zinc/24/62/68/529246268.db2.gz ZTFZTMOHXBYPMA-LLVKDONJSA-N 1 3 252.427 3.187 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000423472840 529247809 /nfs/dbraw/zinc/24/78/09/529247809.db2.gz QJOSUJPVKVUVJM-WCQYABFASA-N 1 3 252.427 3.187 20 0 CGADHO CC[C@H](CC(F)(F)F)NC1CC[NH+](C(C)C)CC1 ZINC000354968374 529316489 /nfs/dbraw/zinc/31/64/89/529316489.db2.gz FWZGXENELYCLRF-LLVKDONJSA-N 1 3 266.351 3.180 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459476470 534955436 /nfs/dbraw/zinc/95/54/36/534955436.db2.gz QZNDZSSKHWXPAS-WLYUNCDWSA-N 1 3 252.446 3.133 20 0 CGADHO CCCCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036961229 534996363 /nfs/dbraw/zinc/99/63/63/534996363.db2.gz QHQPIVSODFOJOV-UHFFFAOYSA-N 1 3 261.413 3.220 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H](C)c1cc(C)c(C)cc1C ZINC000480760777 536796584 /nfs/dbraw/zinc/79/65/84/536796584.db2.gz IFIFSMZDJQREGS-KRWDZBQOSA-N 1 3 292.467 3.231 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H](C)c1cc(C)c(C)cc1C ZINC000480760777 536796589 /nfs/dbraw/zinc/79/65/89/536796589.db2.gz IFIFSMZDJQREGS-KRWDZBQOSA-N 1 3 292.467 3.231 20 0 CGADHO [NH3+]C1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000051692982 618629118 /nfs/dbraw/zinc/62/91/18/618629118.db2.gz GMPHAVAALVXWRN-LEOMRAHMSA-N 1 3 281.403 3.031 20 0 CGADHO C[C@@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)c1ccc[nH]1 ZINC000925646105 619104827 /nfs/dbraw/zinc/10/48/27/619104827.db2.gz SQLRVKSXMVUHNA-ZIAGYGMSSA-N 1 3 271.408 3.488 20 0 CGADHO Cc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)nc1C ZINC000925693976 619143121 /nfs/dbraw/zinc/14/31/21/619143121.db2.gz NTHSGJPFJDXOJF-GOSISDBHSA-N 1 3 283.419 3.268 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cc(Br)cs1 ZINC000925736491 619210542 /nfs/dbraw/zinc/21/05/42/619210542.db2.gz AKIFIIGYKXBIDV-MRVPVSSYSA-N 1 3 291.258 3.289 20 0 CGADHO CCC1([NH3+])CCN([C@@H]2CCc3cc(C)ccc32)CC1 ZINC000925757293 619220882 /nfs/dbraw/zinc/22/08/82/619220882.db2.gz UAXJWOJIUPZNGG-MRXNPFEDSA-N 1 3 258.409 3.186 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCc3cc(C)ccc32)CC1 ZINC000925757292 619221150 /nfs/dbraw/zinc/22/11/50/619221150.db2.gz UAXJWOJIUPZNGG-INIZCTEOSA-N 1 3 258.409 3.186 20 0 CGADHO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1cccc2ccccc21 ZINC000261783196 619420522 /nfs/dbraw/zinc/42/05/22/619420522.db2.gz PTUYYVRWBWCSLY-GLJUWKHASA-N 1 3 268.404 3.488 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccc2ccccc21 ZINC000261783196 619420525 /nfs/dbraw/zinc/42/05/25/619420525.db2.gz PTUYYVRWBWCSLY-GLJUWKHASA-N 1 3 268.404 3.488 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)N(C)C ZINC000895292417 619797167 /nfs/dbraw/zinc/79/71/67/619797167.db2.gz FSJOKRFKGUAUGJ-VYDXJSESSA-N 1 3 275.440 3.038 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000895587504 619855263 /nfs/dbraw/zinc/85/52/63/619855263.db2.gz XBAJKSYXQUWKQD-NVXWUHKLSA-N 1 3 272.436 3.038 20 0 CGADHO C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000925219668 620235865 /nfs/dbraw/zinc/23/58/65/620235865.db2.gz FOKDVTIHJRKOFE-HDMKZQKVSA-N 1 3 274.452 3.338 20 0 CGADHO Cc1noc(C)c1[C@H](C)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000924688835 620563459 /nfs/dbraw/zinc/56/34/59/620563459.db2.gz VXFOWASZLCCCOO-KGLIPLIRSA-N 1 3 293.455 3.454 20 0 CGADHO Cc1noc(C)c1[C@H](C)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688835 620563463 /nfs/dbraw/zinc/56/34/63/620563463.db2.gz VXFOWASZLCCCOO-KGLIPLIRSA-N 1 3 293.455 3.454 20 0 CGADHO CC[C@H](CC(F)(F)F)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373162 621278890 /nfs/dbraw/zinc/27/88/90/621278890.db2.gz AUTWPZFPMCWPDG-GHMZBOCLSA-N 1 3 266.351 3.085 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc3[nH]ccc32)C1 ZINC000902405999 621291426 /nfs/dbraw/zinc/29/14/26/621291426.db2.gz MZCRKVFETVBDSI-AWEZNQCLSA-N 1 3 271.408 3.036 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000902872005 621474901 /nfs/dbraw/zinc/47/49/01/621474901.db2.gz WAXQRDIFIFVOSZ-NCOADZHNSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903354516 621712522 /nfs/dbraw/zinc/71/25/22/621712522.db2.gz OYJDMKQQMHOLRD-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](COCC1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903354516 621712524 /nfs/dbraw/zinc/71/25/24/621712524.db2.gz OYJDMKQQMHOLRD-KBAYOESNSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H](CN(C)C[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000903730626 621797519 /nfs/dbraw/zinc/79/75/19/621797519.db2.gz YCPVNYNOYCLBBT-CVEARBPZSA-N 1 3 260.425 3.112 20 0 CGADHO Cc1ccc(C)c(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000903875017 621824686 /nfs/dbraw/zinc/82/46/86/621824686.db2.gz LFWZGUCVRKVCTK-MRXNPFEDSA-N 1 3 272.436 3.092 20 0 CGADHO CC(C)(Cc1ccccc1Cl)NC[C@@H]([NH3+])CC(F)F ZINC000903897850 621829326 /nfs/dbraw/zinc/82/93/26/621829326.db2.gz HMZDCBMIJSKUSM-NSHDSACASA-N 1 3 290.785 3.233 20 0 CGADHO N[C@@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929397 621833916 /nfs/dbraw/zinc/83/39/16/621833916.db2.gz DKNIJWUHVPKCFH-GJZGRUSLSA-N 1 3 294.389 3.239 20 0 CGADHO N[C@@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929397 621833917 /nfs/dbraw/zinc/83/39/17/621833917.db2.gz DKNIJWUHVPKCFH-GJZGRUSLSA-N 1 3 294.389 3.239 20 0 CGADHO C[C@@]1(CN2CCCCC[C@H]2c2ccncc2)CCC[NH2+]C1 ZINC000904301200 621902116 /nfs/dbraw/zinc/90/21/16/621902116.db2.gz AWAXKYLMWSEHRS-ZWKOTPCHSA-N 1 3 287.451 3.388 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372025 621914146 /nfs/dbraw/zinc/91/41/46/621914146.db2.gz WIGYDYFYUWNUTB-YESZJQIVSA-N 1 3 296.499 3.013 20 0 CGADHO CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000904372025 621914152 /nfs/dbraw/zinc/91/41/52/621914152.db2.gz WIGYDYFYUWNUTB-YESZJQIVSA-N 1 3 296.499 3.013 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@H](N)CC(C)C)cc1C ZINC000904389847 621915581 /nfs/dbraw/zinc/91/55/81/621915581.db2.gz WIQIBCJBKDGEAH-DZGCQCFKSA-N 1 3 264.413 3.028 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420138 621921780 /nfs/dbraw/zinc/92/17/80/621921780.db2.gz CZOMKVATYLVKSJ-ISARSNTHSA-N 1 3 284.447 3.038 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420138 621921788 /nfs/dbraw/zinc/92/17/88/621921788.db2.gz CZOMKVATYLVKSJ-ISARSNTHSA-N 1 3 284.447 3.038 20 0 CGADHO C[C@H]1[C@H](C)OC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000924857026 622769061 /nfs/dbraw/zinc/76/90/61/622769061.db2.gz PWIQXKSFKYDNQK-RLFYNMQTSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000924857026 622769067 /nfs/dbraw/zinc/76/90/67/622769067.db2.gz PWIQXKSFKYDNQK-RLFYNMQTSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)Oc1cccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228473815 623058061 /nfs/dbraw/zinc/05/80/61/623058061.db2.gz LVUOIJLGPUVDOU-CGTJXYLNSA-N 1 3 288.435 3.033 20 0 CGADHO Cc1nc(CN(C)C2CCC([NH3+])CC2)sc1C(C)(C)C ZINC000923294612 626144276 /nfs/dbraw/zinc/14/42/76/626144276.db2.gz NUNICIZAABSLEO-UHFFFAOYSA-N 1 3 295.496 3.451 20 0 CGADHO Fc1cccc([C@H]2CCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923316004 626145218 /nfs/dbraw/zinc/14/52/18/626145218.db2.gz CBKKAKRUPKITEP-FXANMCRTSA-N 1 3 288.410 3.493 20 0 CGADHO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495385 626157904 /nfs/dbraw/zinc/15/79/04/626157904.db2.gz BNRBTSWKRYXKNG-NTZNESFSSA-N 1 3 284.806 3.457 20 0 CGADHO CC[NH+]1CCC(CNc2ccnc3cc(OC)ccc32)CC1 ZINC000765472882 627251547 /nfs/dbraw/zinc/25/15/47/627251547.db2.gz RDWDUOWIGSTKQU-UHFFFAOYSA-N 1 3 299.418 3.387 20 0 CGADHO COc1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768160503 627464231 /nfs/dbraw/zinc/46/42/31/627464231.db2.gz QGKJDDQBPJKZCI-UHFFFAOYSA-N 1 3 298.430 3.389 20 0 CGADHO c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@H]1CCNC12CCC2 ZINC000863543203 629602524 /nfs/dbraw/zinc/60/25/24/629602524.db2.gz WTQFFIRBOCTYLX-TUVJXNFZSA-N 1 3 296.458 3.054 20 0 CGADHO FC(F)(F)c1cccc([C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)c1 ZINC000843389665 635656955 /nfs/dbraw/zinc/65/69/55/635656955.db2.gz KQGBBXOSJZAZTA-JSGCOSHPSA-N 1 3 298.352 3.104 20 0 CGADHO CCC[C@H](NCc1ccc(CC[NH3+])cc1)c1ccccn1 ZINC000817949921 632246808 /nfs/dbraw/zinc/24/68/08/632246808.db2.gz UITMFKODUZRZKF-KRWDZBQOSA-N 1 3 283.419 3.214 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817953666 632248863 /nfs/dbraw/zinc/24/88/63/632248863.db2.gz SFPHGIVZZONCOD-UWVGGRQHSA-N 1 3 274.380 3.389 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)cc(C)c1OC(F)F ZINC000818431917 632318257 /nfs/dbraw/zinc/31/82/57/632318257.db2.gz WACSQNKJVZGOTR-ZIAGYGMSSA-N 1 3 298.377 3.264 20 0 CGADHO Cc1csc(C(C)(C)NCCCCCCC[NH3+])n1 ZINC000844220767 635833789 /nfs/dbraw/zinc/83/37/89/635833789.db2.gz AQOOKLALCFESCH-UHFFFAOYSA-N 1 3 269.458 3.185 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872033898 633953259 /nfs/dbraw/zinc/95/32/59/633953259.db2.gz JZYNFXGCKHRXFX-IAGOWNOFSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000872087295 634012743 /nfs/dbraw/zinc/01/27/43/634012743.db2.gz IEQBEYMEYDLUJH-OLZOCXBDSA-N 1 3 280.378 3.429 20 0 CGADHO C[C@H](CNCc1cccc2ncccc12)C[NH+]1CCCC1 ZINC000873016086 634231816 /nfs/dbraw/zinc/23/18/16/634231816.db2.gz DTHDHKXPOHSODB-OAHLLOKOSA-N 1 3 283.419 3.056 20 0 CGADHO Cc1cccc(CC[NH2+]Cc2cc3c(s2)CCNC3)c1 ZINC000873211620 634285934 /nfs/dbraw/zinc/28/59/34/634285934.db2.gz QIIRWRDSBMYZMS-UHFFFAOYSA-N 1 3 286.444 3.035 20 0 CGADHO CC1(C)CC[C@@H](CNC2CCC(C(F)(F)F)CC2)[NH2+]C1 ZINC000873237373 634296912 /nfs/dbraw/zinc/29/69/12/634296912.db2.gz PDWHVRGOOJYYCP-BPCQOVAHSA-N 1 3 292.389 3.475 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1CCCC[C@@H]1CN)C(F)(F)F ZINC000873247112 634299352 /nfs/dbraw/zinc/29/93/52/634299352.db2.gz ILIGQDYXXVCRTK-VXGBXAGGSA-N 1 3 280.378 3.462 20 0 CGADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)sc1Cl ZINC000873258789 634306377 /nfs/dbraw/zinc/30/63/77/634306377.db2.gz UVJSABHTSRAIDG-FXQIFTODSA-N 1 3 279.236 3.443 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccccn1 ZINC000019913245 634375792 /nfs/dbraw/zinc/37/57/92/634375792.db2.gz WWUNTKLXFYZGIA-MRXNPFEDSA-N 1 3 283.419 3.254 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CCC(C)(C)SC)C1 ZINC000876770561 634896608 /nfs/dbraw/zinc/89/66/08/634896608.db2.gz HMDOCFDYPUFVDE-CQSZACIVSA-N 1 3 272.502 3.182 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCC(C)(C)SC)C1 ZINC000876770561 634896610 /nfs/dbraw/zinc/89/66/10/634896610.db2.gz HMDOCFDYPUFVDE-CQSZACIVSA-N 1 3 272.502 3.182 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCC(C)(C)SC)C1 ZINC000876770561 634896613 /nfs/dbraw/zinc/89/66/13/634896613.db2.gz HMDOCFDYPUFVDE-CQSZACIVSA-N 1 3 272.502 3.182 20 0 CGADHO CSC(C)(C)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811979 634905226 /nfs/dbraw/zinc/90/52/26/634905226.db2.gz PCBHYHVYZHLCHJ-ZBFHGGJFSA-N 1 3 296.524 3.467 20 0 CGADHO CSC(C)(C)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876811979 634905230 /nfs/dbraw/zinc/90/52/30/634905230.db2.gz PCBHYHVYZHLCHJ-ZBFHGGJFSA-N 1 3 296.524 3.467 20 0 CGADHO Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000877525332 635071947 /nfs/dbraw/zinc/07/19/47/635071947.db2.gz ZPIOEPDQDBGUOA-AEFFLSMTSA-N 1 3 274.452 3.246 20 0 CGADHO [NH3+]CCc1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000841031903 635109145 /nfs/dbraw/zinc/10/91/45/635109145.db2.gz AWNOGXPKCSGYDG-UHFFFAOYSA-N 1 3 292.785 3.270 20 0 CGADHO CN1CC[C@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744975 635179898 /nfs/dbraw/zinc/17/98/98/635179898.db2.gz YTYZUBYQFLIXDJ-WMZOPIPTSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CC[C@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC000877744975 635179905 /nfs/dbraw/zinc/17/99/05/635179905.db2.gz YTYZUBYQFLIXDJ-WMZOPIPTSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CCCC[C@H]1CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667065 635830083 /nfs/dbraw/zinc/83/00/83/635830083.db2.gz AHMXPINYVOEFFL-BFHYXJOUSA-N 1 3 290.373 3.348 20 0 CGADHO C[C@H](CC[N@@H+]1CCC[C@@H](CF)C1)N1CCC[C@H](CF)C1 ZINC000880233911 635946001 /nfs/dbraw/zinc/94/60/01/635946001.db2.gz AORPDEXHMZSZEU-OWCLPIDISA-N 1 3 288.426 3.128 20 0 CGADHO C[C@H](CC[N@H+]1CCC[C@@H](CF)C1)N1CCC[C@H](CF)C1 ZINC000880233911 635946005 /nfs/dbraw/zinc/94/60/05/635946005.db2.gz AORPDEXHMZSZEU-OWCLPIDISA-N 1 3 288.426 3.128 20 0 CGADHO CC[C@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259392 635959966 /nfs/dbraw/zinc/95/99/66/635959966.db2.gz RSOZHYJAQPYTBS-UONOGXRCSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259392 635959971 /nfs/dbraw/zinc/95/99/71/635959971.db2.gz RSOZHYJAQPYTBS-UONOGXRCSA-N 1 3 297.393 3.274 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259392 635959972 /nfs/dbraw/zinc/95/99/72/635959972.db2.gz RSOZHYJAQPYTBS-UONOGXRCSA-N 1 3 297.393 3.274 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000844924417 635986310 /nfs/dbraw/zinc/98/63/10/635986310.db2.gz QEQGTOYABXXUCV-NZVBXONLSA-N 1 3 299.821 3.204 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000848912122 636687633 /nfs/dbraw/zinc/68/76/33/636687633.db2.gz BGIHFFWXJOJCNZ-SFHVURJKSA-N 1 3 272.436 3.338 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000848912122 636687635 /nfs/dbraw/zinc/68/76/35/636687635.db2.gz BGIHFFWXJOJCNZ-SFHVURJKSA-N 1 3 272.436 3.338 20 0 CGADHO CCCN1CCC[C@H]1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849027909 636721739 /nfs/dbraw/zinc/72/17/39/636721739.db2.gz QKARYKXULVIDLZ-INIZCTEOSA-N 1 3 288.439 3.114 20 0 CGADHO [NH3+][C@@H](C[C@H]1CCCN(Cc2ccns2)C1)C1CCCC1 ZINC000883440890 636758130 /nfs/dbraw/zinc/75/81/30/636758130.db2.gz BYVYMCXIMMLXBQ-CJNGLKHVSA-N 1 3 293.480 3.263 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434405 637060811 /nfs/dbraw/zinc/06/08/11/637060811.db2.gz XMSGLULKXIQSBX-CABCVRRESA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCO2 ZINC000850434405 637060814 /nfs/dbraw/zinc/06/08/14/637060814.db2.gz XMSGLULKXIQSBX-CABCVRRESA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(Cl)cn1 ZINC000885923373 637313330 /nfs/dbraw/zinc/31/33/30/637313330.db2.gz YRNWFXKPTNXZRT-AWEZNQCLSA-N 1 3 295.858 3.479 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(Cl)cn1 ZINC000885923373 637313336 /nfs/dbraw/zinc/31/33/36/637313336.db2.gz YRNWFXKPTNXZRT-AWEZNQCLSA-N 1 3 295.858 3.479 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852566009 637680660 /nfs/dbraw/zinc/68/06/60/637680660.db2.gz LCCWHJPJBMXSPP-AEFFLSMTSA-N 1 3 289.467 3.114 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000221675434 637739639 /nfs/dbraw/zinc/73/96/39/637739639.db2.gz PTRGJGBEIDTATL-AWEZNQCLSA-N 1 3 266.404 3.078 20 0 CGADHO CC(C)[C@H]1CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000854222542 638025670 /nfs/dbraw/zinc/02/56/70/638025670.db2.gz ILRGMHXAHDIIBY-BRSBDYLESA-N 1 3 272.436 3.156 20 0 CGADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccc2c(c1)CCO2 ZINC000854230286 638028917 /nfs/dbraw/zinc/02/89/17/638028917.db2.gz LWFCAXQZVLIIHM-HZPDHXFCSA-N 1 3 276.424 3.036 20 0 CGADHO Fc1ccc(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)cc1 ZINC000925488546 638119690 /nfs/dbraw/zinc/11/96/90/638119690.db2.gz KNIFOZDNMSOQGL-ROUUACIJSA-N 1 3 290.426 3.126 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCc2ccccc2C(F)(F)F)C12CCC2 ZINC000925489918 638316557 /nfs/dbraw/zinc/31/65/57/638316557.db2.gz AWMJJXLVFQBNGE-ZIAGYGMSSA-N 1 3 298.352 3.107 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)C1 ZINC000924704981 638392425 /nfs/dbraw/zinc/39/24/25/638392425.db2.gz JKRLEGXJXHVSFE-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH3+])[C@@H](NCC(C1CC1)C1CC1)c1ccccc1 ZINC000925513929 638515623 /nfs/dbraw/zinc/51/56/23/638515623.db2.gz ISKYRJRPKAHYSV-YVEFUNNKSA-N 1 3 258.409 3.101 20 0 CGADHO CC(C)c1nc(CCN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565093 638532095 /nfs/dbraw/zinc/53/20/95/638532095.db2.gz OTPPOOSHXXKYJJ-OCCSQVGLSA-N 1 3 295.496 3.305 20 0 CGADHO c1csc(CCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)c1 ZINC000925628609 638549224 /nfs/dbraw/zinc/54/92/24/638549224.db2.gz FDPKXJJATKLWEZ-DLBZAZTESA-N 1 3 292.492 3.439 20 0 CGADHO C1[C@@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C12CCCC2 ZINC000925653769 638557805 /nfs/dbraw/zinc/55/78/05/638557805.db2.gz ZNHQCQNXALEGBU-ARFHVFGLSA-N 1 3 262.441 3.077 20 0 CGADHO [NH3+][C@H]1C[C@@H](N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C12CCC2 ZINC000925658314 638559398 /nfs/dbraw/zinc/55/93/98/638559398.db2.gz WXRJRXVTSNWHJK-QCEMKRCNSA-N 1 3 290.838 3.446 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925669912 638563673 /nfs/dbraw/zinc/56/36/73/638563673.db2.gz HCVPJZXVNNINDK-QWHCGFSZSA-N 1 3 290.373 3.087 20 0 CGADHO FC1(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CCC1 ZINC000925673331 638564547 /nfs/dbraw/zinc/56/45/47/638564547.db2.gz NKOMCPPFLSPMCU-LSDHHAIUSA-N 1 3 268.420 3.027 20 0 CGADHO CCC(CC)(CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C(F)(F)F ZINC000925734098 638588657 /nfs/dbraw/zinc/58/86/57/638588657.db2.gz NIWAXVRIIRMQRU-GHMZBOCLSA-N 1 3 278.362 3.215 20 0 CGADHO CCC(CC)(C[NH2+][C@@H]1C[C@@H](N)C12CCC2)C(F)(F)F ZINC000925734098 638588663 /nfs/dbraw/zinc/58/86/63/638588663.db2.gz NIWAXVRIIRMQRU-GHMZBOCLSA-N 1 3 278.362 3.215 20 0 CGADHO CCC[C@@H](NCCC(C)(C)[NH3+])c1ccc(OC)cc1 ZINC000925740639 638591729 /nfs/dbraw/zinc/59/17/29/638591729.db2.gz JCVMYBFPICPDPW-OAHLLOKOSA-N 1 3 264.413 3.253 20 0 CGADHO CC(C)[C@H](NCCC(C)(C)[NH3+])c1ccc(F)c(F)c1 ZINC000925742724 638592639 /nfs/dbraw/zinc/59/26/39/638592639.db2.gz XIDUBPFJVCROIJ-AWEZNQCLSA-N 1 3 270.367 3.379 20 0 CGADHO CC[C@@H](NCCC(C)(C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000925742074 638592806 /nfs/dbraw/zinc/59/28/06/638592806.db2.gz OSJSMGCHLZNCJJ-OAHLLOKOSA-N 1 3 276.424 3.180 20 0 CGADHO CC(C)([NH3+])CCN[C@@H]1CCc2c1cccc2Cl ZINC000925741237 638593802 /nfs/dbraw/zinc/59/38/02/638593802.db2.gz NSEDJIPMLVFMPB-CYBMUJFWSA-N 1 3 252.789 3.044 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNCCC2(F)F)c2ccccc21 ZINC000925776521 638608071 /nfs/dbraw/zinc/60/80/71/638608071.db2.gz KZMXNNRXYFKMDI-JMSVASOKSA-N 1 3 280.362 3.069 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)c2ccccc21 ZINC000925776720 638608554 /nfs/dbraw/zinc/60/85/54/638608554.db2.gz ZYCIVGSOEPKEPN-IAOVAPTHSA-N 1 3 286.419 3.070 20 0 CGADHO C(C[C@@H]1CC[C@H]2C[C@H]21)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925804621 638618221 /nfs/dbraw/zinc/61/82/21/638618221.db2.gz KRFUSDVYWYEFQU-ATIWLJMLSA-N 1 3 276.468 3.181 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000926175099 638729346 /nfs/dbraw/zinc/72/93/46/638729346.db2.gz OCPBLSIXMMDIGA-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276712 638758707 /nfs/dbraw/zinc/75/87/07/638758707.db2.gz ZOHYVVFEZHGLTH-RDJZCZTQSA-N 1 3 284.488 3.028 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H](C)c2ccccn2)CC1 ZINC000926678186 638797843 /nfs/dbraw/zinc/79/78/43/638797843.db2.gz SRVIPAVYJGXPJB-INIZCTEOSA-N 1 3 289.467 3.285 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H](C)c2ccccn2)CC1 ZINC000926678186 638797844 /nfs/dbraw/zinc/79/78/44/638797844.db2.gz SRVIPAVYJGXPJB-INIZCTEOSA-N 1 3 289.467 3.285 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CCC3(CCC3)O2)CC1 ZINC000926859555 638818195 /nfs/dbraw/zinc/81/81/95/638818195.db2.gz HZGYWIVAMCFPCZ-QGZVFWFLSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@]23CCC[C@H]2OCC3)CC1 ZINC000926915498 638824536 /nfs/dbraw/zinc/82/45/36/638824536.db2.gz HWHPXGDWUIPPKV-QZTJIDSGSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437469 639148979 /nfs/dbraw/zinc/14/89/79/639148979.db2.gz CJZYXKXWYVHFES-ZMSDIMECSA-N 1 3 276.399 3.160 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437469 639148980 /nfs/dbraw/zinc/14/89/80/639148980.db2.gz CJZYXKXWYVHFES-ZMSDIMECSA-N 1 3 276.399 3.160 20 0 CGADHO Cc1ccsc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250859720 640817996 /nfs/dbraw/zinc/81/79/96/640817996.db2.gz AZTJXRFTXXUDEU-MGPQQGTHSA-N 1 3 264.438 3.067 20 0 CGADHO C[C@@H](NCCC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000304555945 640865520 /nfs/dbraw/zinc/86/55/20/640865520.db2.gz GCSZQZLGWHMBJK-SNVBAGLBSA-N 1 3 285.229 3.227 20 0 CGADHO CCCc1ccc(C[NH2+][C@H]2CCCN(C)CC2)cc1 ZINC001254505099 806425971 /nfs/dbraw/zinc/42/59/71/806425971.db2.gz ZJVUIEKVDKFXPQ-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(CN[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254505099 806425974 /nfs/dbraw/zinc/42/59/74/806425974.db2.gz ZJVUIEKVDKFXPQ-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(CN[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254505099 806425980 /nfs/dbraw/zinc/42/59/80/806425980.db2.gz ZJVUIEKVDKFXPQ-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO C[N@@H+]1CCC[C@@H](NC2(c3ccc(F)cc3)CCC2)CC1 ZINC001254508776 806426820 /nfs/dbraw/zinc/42/68/20/806426820.db2.gz LXWRCRYYWRXXCB-MRXNPFEDSA-N 1 3 276.399 3.279 20 0 CGADHO C[N@H+]1CCC[C@@H](NC2(c3ccc(F)cc3)CCC2)CC1 ZINC001254508776 806426823 /nfs/dbraw/zinc/42/68/23/806426823.db2.gz LXWRCRYYWRXXCB-MRXNPFEDSA-N 1 3 276.399 3.279 20 0 CGADHO CN1CCC[C@H]([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC001254507749 806428091 /nfs/dbraw/zinc/42/80/91/806428091.db2.gz CWCSNOQGRNEVQT-KRWDZBQOSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@@H+]1CCC[C@H](NCc2cccc(C3CC3)c2)CC1 ZINC001254507749 806428096 /nfs/dbraw/zinc/42/80/96/806428096.db2.gz CWCSNOQGRNEVQT-KRWDZBQOSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@H+]1CCC[C@H](NCc2cccc(C3CC3)c2)CC1 ZINC001254507749 806428101 /nfs/dbraw/zinc/42/81/01/806428101.db2.gz CWCSNOQGRNEVQT-KRWDZBQOSA-N 1 3 258.409 3.138 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510769 806431404 /nfs/dbraw/zinc/43/14/04/806431404.db2.gz QKSDGEBFXMKSQH-DOTOQJQBSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510769 806431407 /nfs/dbraw/zinc/43/14/07/806431407.db2.gz QKSDGEBFXMKSQH-DOTOQJQBSA-N 1 3 276.399 3.277 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC2Cc3ccccc3C2)C1 ZINC001255012116 806524437 /nfs/dbraw/zinc/52/44/37/806524437.db2.gz OXELTMBKMYCKOW-HZPDHXFCSA-N 1 3 286.463 3.111 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc2c(c1)CCO2 ZINC000037644615 798871387 /nfs/dbraw/zinc/87/13/87/798871387.db2.gz FKORKZIXOQEVAN-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644615 798871391 /nfs/dbraw/zinc/87/13/91/798871391.db2.gz FKORKZIXOQEVAN-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[C@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)CCO2 ZINC000037644615 798871394 /nfs/dbraw/zinc/87/13/94/798871394.db2.gz FKORKZIXOQEVAN-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccccc1C[N@H+](C)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255680100 806703369 /nfs/dbraw/zinc/70/33/69/806703369.db2.gz GXGOZDAUXXDPKB-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO COc1ccccc1C[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255680100 806703377 /nfs/dbraw/zinc/70/33/77/806703377.db2.gz GXGOZDAUXXDPKB-SJPCQFCGSA-N 1 3 288.435 3.142 20 0 CGADHO CCc1cccc2c(CN3CC[C@H](C)[C@H](C[NH3+])C3)c[nH]c21 ZINC000163394249 799082431 /nfs/dbraw/zinc/08/24/31/799082431.db2.gz DIRZVVFCWAYYTC-DZGCQCFKSA-N 1 3 285.435 3.147 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000378891456 799345299 /nfs/dbraw/zinc/34/52/99/799345299.db2.gz SKHOOGDOUKZBNY-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO Cc1cc2cc(N[C@H]3C[NH+]4CCC3CC4)ccc2cn1 ZINC001163394843 806756747 /nfs/dbraw/zinc/75/67/47/806756747.db2.gz MACHTOQCBKNDEI-KRWDZBQOSA-N 1 3 267.376 3.049 20 0 CGADHO C[C@@H]1C[C@H]([NH3+])CN1C1CCC(c2ccccc2)CC1 ZINC000702644179 799910911 /nfs/dbraw/zinc/91/09/11/799910911.db2.gz ITISCFVNJBSKQQ-AKBUMOGYSA-N 1 3 258.409 3.134 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)n1c2ccccc2nc1[C@H](C)N ZINC001255940859 806790134 /nfs/dbraw/zinc/79/01/34/806790134.db2.gz HNWZWZZZRJZIFJ-KGLIPLIRSA-N 1 3 288.439 3.349 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC001255945076 806791413 /nfs/dbraw/zinc/79/14/13/806791413.db2.gz DKBZZLSYRRSATI-STQMWFEESA-N 1 3 262.388 3.274 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CN1 ZINC000708850884 799997875 /nfs/dbraw/zinc/99/78/75/799997875.db2.gz ROKNWKIJNZYFNQ-BMFZPTHFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CN1 ZINC000708850884 799997881 /nfs/dbraw/zinc/99/78/81/799997881.db2.gz ROKNWKIJNZYFNQ-BMFZPTHFSA-N 1 3 250.430 3.029 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCC3(C2)CCCCC3)CCN1 ZINC000709444279 800008351 /nfs/dbraw/zinc/00/83/51/800008351.db2.gz BPTUCAMTYQYZLH-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCC3(C2)CCCCC3)CCN1 ZINC000709444279 800008360 /nfs/dbraw/zinc/00/83/60/800008360.db2.gz BPTUCAMTYQYZLH-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3ccccc3)C1)[NH2+]2 ZINC000709480498 800009852 /nfs/dbraw/zinc/00/98/52/800009852.db2.gz STSPOKBNTAZCNF-MPKQCCARSA-N 1 3 270.420 3.051 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N1CCc2ccccc2CC1 ZINC001255962579 806800706 /nfs/dbraw/zinc/80/07/06/806800706.db2.gz XHAGLJDQSYXUKP-INIZCTEOSA-N 1 3 274.452 3.208 20 0 CGADHO CCN(CC)CC[C@H](C)[NH+]1CCc2ccccc2CC1 ZINC001255962579 806800712 /nfs/dbraw/zinc/80/07/12/806800712.db2.gz XHAGLJDQSYXUKP-INIZCTEOSA-N 1 3 274.452 3.208 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709871989 800021528 /nfs/dbraw/zinc/02/15/28/800021528.db2.gz VVCNFWYUUTUODA-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709871989 800021536 /nfs/dbraw/zinc/02/15/36/800021536.db2.gz VVCNFWYUUTUODA-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000710829415 800040412 /nfs/dbraw/zinc/04/04/12/800040412.db2.gz NVFOYMKARCGJHW-UHFFFAOYSA-N 1 3 274.330 3.055 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)CCN1 ZINC000714272157 800118341 /nfs/dbraw/zinc/11/83/41/800118341.db2.gz GNUQZFXTXUICDN-YIDVYQOGSA-N 1 3 250.430 3.075 20 0 CGADHO [NH3+][C@H]1C[C@H](NCC2C[C@H]3CC[C@@H](C2)S3)c2ccccc21 ZINC000716056225 800163428 /nfs/dbraw/zinc/16/34/28/800163428.db2.gz AALJXPWVNJDJCH-MCGYIYAPSA-N 1 3 288.460 3.395 20 0 CGADHO [NH3+]C[C@@H]1CN(CCC2CCCCCC2)C[C@H]1C(F)(F)F ZINC000720888861 800270739 /nfs/dbraw/zinc/27/07/39/800270739.db2.gz NNSWCICKAZHSMO-ZIAGYGMSSA-N 1 3 292.389 3.416 20 0 CGADHO CC1(C)CCC[C@@H](N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721525999 800292119 /nfs/dbraw/zinc/29/21/19/800292119.db2.gz TXMJICJAWQJPSX-SJORKVTESA-N 1 3 272.436 3.341 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256145058 806834399 /nfs/dbraw/zinc/83/43/99/806834399.db2.gz WBSUWBIKNIFHLX-INIZCTEOSA-N 1 3 292.467 3.338 20 0 CGADHO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)CCC2 ZINC000925784467 800633818 /nfs/dbraw/zinc/63/38/18/800633818.db2.gz RXNMDCTXIWHNFF-WFASDCNBSA-N 1 3 298.352 3.038 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCSCc2ccco2)CC1 ZINC001256558364 806914487 /nfs/dbraw/zinc/91/44/87/806914487.db2.gz OBZNPNAULMJMLL-UHFFFAOYSA-N 1 3 296.480 3.365 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCSCc2ccco2)CC1 ZINC001256558364 806914488 /nfs/dbraw/zinc/91/44/88/806914488.db2.gz OBZNPNAULMJMLL-UHFFFAOYSA-N 1 3 296.480 3.365 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CCc2ccsc2)CC1 ZINC001256561345 806916406 /nfs/dbraw/zinc/91/64/06/806916406.db2.gz DJIPSIRDYMYAPT-UHFFFAOYSA-N 1 3 266.454 3.143 20 0 CGADHO CC(C)(C)[NH+]1CCC(NCCc2ccsc2)CC1 ZINC001256561345 806916408 /nfs/dbraw/zinc/91/64/08/806916408.db2.gz DJIPSIRDYMYAPT-UHFFFAOYSA-N 1 3 266.454 3.143 20 0 CGADHO Cc1ccccc1C(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621191 806928312 /nfs/dbraw/zinc/92/83/12/806928312.db2.gz MLHQEDXFTDQRCC-MQVJKMGUSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1ccccc1C(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621191 806928320 /nfs/dbraw/zinc/92/83/20/806928320.db2.gz MLHQEDXFTDQRCC-MQVJKMGUSA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)[nH]n1 ZINC001116075223 802297835 /nfs/dbraw/zinc/29/78/35/802297835.db2.gz CHHALPVWNLPSOD-OAHLLOKOSA-N 1 3 298.434 3.033 20 0 CGADHO CN(C)Cc1cncc(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001245527411 803791258 /nfs/dbraw/zinc/79/12/58/803791258.db2.gz WLNDNRTYLIWQIY-UHFFFAOYSA-N 1 3 295.430 3.277 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246071749 804110663 /nfs/dbraw/zinc/11/06/63/804110663.db2.gz DNDXJZBAXFYNMV-GOEBONIOSA-N 1 3 278.415 3.125 20 0 CGADHO C1CCC2(C1)CCC(N[C@@H]1CCCC[NH2+]C1)CC2 ZINC001246091275 804121979 /nfs/dbraw/zinc/12/19/79/804121979.db2.gz ODZWDKHDNZAJKY-OAHLLOKOSA-N 1 3 250.430 3.221 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246094061 804126948 /nfs/dbraw/zinc/12/69/48/804126948.db2.gz FKZASKWGKCORAG-BJWYYQGGSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@@H]1C[C@H](NCCc2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC001246096245 804128116 /nfs/dbraw/zinc/12/81/16/804128116.db2.gz IWWANZZSYQGPKG-ZWNOBZJWSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCc2cc(Cl)ccc2Cl)CCN1 ZINC001246096245 804128119 /nfs/dbraw/zinc/12/81/19/804128119.db2.gz IWWANZZSYQGPKG-ZWNOBZJWSA-N 1 3 287.234 3.266 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246096327 804128201 /nfs/dbraw/zinc/12/82/01/804128201.db2.gz MIBILLDEWFIHFO-PMPSAXMXSA-N 1 3 292.492 3.453 20 0 CGADHO C[C@@]1(CN[C@H]2CSc3ccccc3C2)CCCC[NH2+]C1 ZINC001246102127 804136011 /nfs/dbraw/zinc/13/60/11/804136011.db2.gz RFSAFJBIOVNNDA-NVXWUHKLSA-N 1 3 290.476 3.073 20 0 CGADHO C[C@H]1CC[C@@H](CNC2CCC3(CCCC3)CC2)[NH2+]C1 ZINC001246105436 804138291 /nfs/dbraw/zinc/13/82/91/804138291.db2.gz MNLDFCHYLCJKFD-HOCLYGCPSA-N 1 3 264.457 3.467 20 0 CGADHO CCn1ccc2c1cccc2C[NH+]1CCC2(CN(C)C2)CC1 ZINC001139156096 804142599 /nfs/dbraw/zinc/14/25/99/804142599.db2.gz YUDRTPHRUDFWCS-UHFFFAOYSA-N 1 3 297.446 3.189 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C)C2)CCN1 ZINC001246117628 804149859 /nfs/dbraw/zinc/14/98/59/804149859.db2.gz SAMASVQERGGFHC-XUWVNRHRSA-N 1 3 252.446 3.466 20 0 CGADHO C1CC12CNC[C@H]2[NH2+]C1CCC2(CCCCC2)CC1 ZINC001246128014 804154997 /nfs/dbraw/zinc/15/49/97/804154997.db2.gz DJPUUBFSTYLGHG-OAHLLOKOSA-N 1 3 262.441 3.221 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC1 ZINC001246144070 804166993 /nfs/dbraw/zinc/16/69/93/804166993.db2.gz AZVQJGGVLAKBBH-OXXQZIGGSA-N 1 3 264.457 3.179 20 0 CGADHO CC[C@@H]1C[C@@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246177282 804191186 /nfs/dbraw/zinc/19/11/86/804191186.db2.gz IHPLIQCXAMRCCY-CABCVRRESA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CCCOc2ccc(Cl)cc2)CCN1 ZINC001246177282 804191189 /nfs/dbraw/zinc/19/11/89/804191189.db2.gz IHPLIQCXAMRCCY-CABCVRRESA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@@H]1CC(NCCSCc2ccco2)C[C@@H](CC)[NH2+]1 ZINC001246178880 804192654 /nfs/dbraw/zinc/19/26/54/804192654.db2.gz KNRVYLOAANYOJG-ZIAGYGMSSA-N 1 3 296.480 3.412 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246233443 804225596 /nfs/dbraw/zinc/22/55/96/804225596.db2.gz KHKRGFUJYSJANX-LAVFITLUSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246236161 804227925 /nfs/dbraw/zinc/22/79/25/804227925.db2.gz KKUCLDADLDTNFN-RDJZCZTQSA-N 1 3 290.451 3.212 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2N[C@H]2CCCC[NH2+]C2)cc1 ZINC001246236665 804228507 /nfs/dbraw/zinc/22/85/07/804228507.db2.gz XZTXCNCKOOKXSV-OKZBNKHCSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H]1CC[C@@H](NCCC2CCCCCCC2)C[NH2+]1 ZINC001246240748 804231606 /nfs/dbraw/zinc/23/16/06/804231606.db2.gz WTOGAXGKYKDDAV-GOEBONIOSA-N 1 3 252.446 3.467 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCCc2cccc(Cl)c2)CCN1 ZINC001246259754 804242654 /nfs/dbraw/zinc/24/26/54/804242654.db2.gz PUKJRQUTJXYJIU-OAHLLOKOSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NC1(C[NH3+])CCCC1 ZINC001246277675 804253102 /nfs/dbraw/zinc/25/31/02/804253102.db2.gz AJGPVQANHMHKPD-LBPRGKRZSA-N 1 3 282.428 3.167 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246306077 804270379 /nfs/dbraw/zinc/27/03/79/804270379.db2.gz TXKQTDBNEIKRFT-ZACQAIPSSA-N 1 3 292.854 3.318 20 0 CGADHO CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C)NC1)c1ccc(F)cc1 ZINC001246313169 804274926 /nfs/dbraw/zinc/27/49/26/804274926.db2.gz DREDYKAFTUXFIG-VBNZEHGJSA-N 1 3 264.388 3.253 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccc(F)cc2F)CC[NH2+]1 ZINC001246330417 804285988 /nfs/dbraw/zinc/28/59/88/804285988.db2.gz ZFIMZZMQAFELIL-HZPDHXFCSA-N 1 3 296.405 3.408 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246333445 804288206 /nfs/dbraw/zinc/28/82/06/804288206.db2.gz QLGPIFNLYYLDJP-IRXDYDNUSA-N 1 3 286.463 3.475 20 0 CGADHO CC(C)[C@@H]1C[C@H](N[C@@H]2CC23CCCCC3)CC[NH2+]1 ZINC001246337159 804290775 /nfs/dbraw/zinc/29/07/75/804290775.db2.gz XIJYERYJRODGHY-QLFBSQMISA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(CC3CCC3)CC2)C[C@H](C)N1 ZINC001246375092 804309862 /nfs/dbraw/zinc/30/98/62/804309862.db2.gz HJYWFHNJUDEHAT-AGGWBTHJSA-N 1 3 250.430 3.075 20 0 CGADHO COCCC1([NH2+][C@@H](C)C[C@H](C)CC(C)C)CCNCC1 ZINC001246396066 804319700 /nfs/dbraw/zinc/31/97/00/804319700.db2.gz XZJFHNCBSRVCEC-CVEARBPZSA-N 1 3 284.488 3.196 20 0 CGADHO CCCCC[C@@H](CC)[NH2+]C1(CCOC)CCNCC1 ZINC001246393013 804320565 /nfs/dbraw/zinc/32/05/65/804320565.db2.gz QYDKULJONCELRL-OAHLLOKOSA-N 1 3 270.461 3.094 20 0 CGADHO Fc1ccc([C@@H](CC2CC2)N[C@H]2CCC[NH2+]CC2)cc1 ZINC001246405136 804321959 /nfs/dbraw/zinc/32/19/59/804321959.db2.gz LDXJXDIQTNZPRB-DLBZAZTESA-N 1 3 276.399 3.399 20 0 CGADHO CC[C@H]1CC[C@@H](NC2(c3ccccc3)CC[NH2+]CC2)C1 ZINC001246431992 804329625 /nfs/dbraw/zinc/32/96/25/804329625.db2.gz VDWXTOOYJMJTMS-DOTOQJQBSA-N 1 3 272.436 3.434 20 0 CGADHO CCC1([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCNCC1 ZINC001246425627 804330163 /nfs/dbraw/zinc/33/01/63/804330163.db2.gz YOEHERCDSUNDIZ-CQSZACIVSA-N 1 3 292.854 3.319 20 0 CGADHO CC[C@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444596 804334683 /nfs/dbraw/zinc/33/46/83/804334683.db2.gz AILZTZZOKAOPGY-GOEBONIOSA-N 1 3 264.457 3.467 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)CCN1 ZINC001246456739 804337252 /nfs/dbraw/zinc/33/72/52/804337252.db2.gz OCJQWYDRDSDTJH-CJNGLKHVSA-N 1 3 280.843 3.393 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246460565 804342535 /nfs/dbraw/zinc/34/25/35/804342535.db2.gz VBHBGJZWCBUGHX-LYYZXLFJSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)CCN1 ZINC001246466141 804345502 /nfs/dbraw/zinc/34/55/02/804345502.db2.gz MOUGQKUBUWCTNL-JKSUJKDBSA-N 1 3 272.436 3.227 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001246472553 804348738 /nfs/dbraw/zinc/34/87/38/804348738.db2.gz GWTXNKIGJFRWOU-ZSYWTGECSA-N 1 3 284.447 3.152 20 0 CGADHO Cc1cccc([C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C(C)C)c1 ZINC001246472904 804350770 /nfs/dbraw/zinc/35/07/70/804350770.db2.gz FYIYJOQRLVOMIN-BHYGNILZSA-N 1 3 260.425 3.422 20 0 CGADHO Cc1cccc([C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C(C)C)c1 ZINC001246472904 804350779 /nfs/dbraw/zinc/35/07/79/804350779.db2.gz FYIYJOQRLVOMIN-BHYGNILZSA-N 1 3 260.425 3.422 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246514006 804369386 /nfs/dbraw/zinc/36/93/86/804369386.db2.gz ZKZLHXAJMAXVQF-DDBAPUKQSA-N 1 3 272.436 3.443 20 0 CGADHO CN(CCc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246517641 804372347 /nfs/dbraw/zinc/37/23/47/804372347.db2.gz ALFQBXGWWXKOQL-IRXDYDNUSA-N 1 3 274.452 3.328 20 0 CGADHO [NH3+][C@H]1CCCN([C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543576 804389978 /nfs/dbraw/zinc/38/99/78/804389978.db2.gz ULNIROSZRXOGOQ-HOTGVXAUSA-N 1 3 278.827 3.011 20 0 CGADHO CC(C)(C)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001246548960 804399346 /nfs/dbraw/zinc/39/93/46/804399346.db2.gz OOYQNXDPCIRJEH-ZSHCYNCHSA-N 1 3 264.457 3.418 20 0 CGADHO CC1(F)CC[NH+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246551510 804400299 /nfs/dbraw/zinc/40/02/99/804400299.db2.gz NCDJRABCMIFESO-DLBZAZTESA-N 1 3 290.426 3.174 20 0 CGADHO CC1(F)CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246551510 804400305 /nfs/dbraw/zinc/40/03/05/804400305.db2.gz NCDJRABCMIFESO-DLBZAZTESA-N 1 3 290.426 3.174 20 0 CGADHO C[C@@H]1CCN([C@@H]2CCc3c(Cl)cccc3C2)C[C@H]1C[NH3+] ZINC001246551330 804400560 /nfs/dbraw/zinc/40/05/60/804400560.db2.gz MAVHWXUNOIROPA-BPLDGKMQSA-N 1 3 292.854 3.114 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cc(C)c(O)cc1C ZINC001140204394 804401916 /nfs/dbraw/zinc/40/19/16/804401916.db2.gz RPXQYOUUWLXYRH-UHFFFAOYSA-N 1 3 278.440 3.173 20 0 CGADHO CC[C@H]1CC(N2CCC(C)(F)CC2)C[C@H](CC)[NH2+]1 ZINC001246553742 804404385 /nfs/dbraw/zinc/40/43/85/804404385.db2.gz UJTLJWSCVPJPLL-STQMWFEESA-N 1 3 256.409 3.120 20 0 CGADHO C[C@@H]1CCCC[N@@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246557384 804405964 /nfs/dbraw/zinc/40/59/64/804405964.db2.gz LKUVRYIUBCOYHM-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCCC[N@H+]([C@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246557384 804405966 /nfs/dbraw/zinc/40/59/66/804405966.db2.gz LKUVRYIUBCOYHM-QLFBSQMISA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001246560347 804410129 /nfs/dbraw/zinc/41/01/29/804410129.db2.gz CVYDTZZUVOWLJC-UMVBOHGHSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001246560347 804410131 /nfs/dbraw/zinc/41/01/31/804410131.db2.gz CVYDTZZUVOWLJC-UMVBOHGHSA-N 1 3 280.843 3.330 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001246560347 804410137 /nfs/dbraw/zinc/41/01/37/804410137.db2.gz CVYDTZZUVOWLJC-UMVBOHGHSA-N 1 3 280.843 3.330 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246562570 804411616 /nfs/dbraw/zinc/41/16/16/804411616.db2.gz YLOJQEAXWKBZRP-STQMWFEESA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@@H](CN)C1 ZINC001246562570 804411622 /nfs/dbraw/zinc/41/16/22/804411622.db2.gz YLOJQEAXWKBZRP-STQMWFEESA-N 1 3 262.388 3.261 20 0 CGADHO CCCC[C@H](CCC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246562570 804411626 /nfs/dbraw/zinc/41/16/26/804411626.db2.gz YLOJQEAXWKBZRP-STQMWFEESA-N 1 3 262.388 3.261 20 0 CGADHO CC(C)C1CCC([N@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246563023 804411886 /nfs/dbraw/zinc/41/18/86/804411886.db2.gz ISDKGSUUNORDPI-CIDNJEQPSA-N 1 3 252.446 3.260 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246563023 804411884 /nfs/dbraw/zinc/41/18/84/804411884.db2.gz ISDKGSUUNORDPI-CIDNJEQPSA-N 1 3 252.446 3.260 20 0 CGADHO [NH3+]C[C@@]1(F)CCCCN([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246576424 804423063 /nfs/dbraw/zinc/42/30/63/804423063.db2.gz KDYTYEFIKKGUTL-SQNIBIBYSA-N 1 3 290.426 3.476 20 0 CGADHO NC[C@@H]1CCCC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582465 804425413 /nfs/dbraw/zinc/42/54/13/804425413.db2.gz MSXCZLUBGCLWKD-GUYCJALGSA-N 1 3 292.854 3.258 20 0 CGADHO NC[C@@H]1CCCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246582465 804425419 /nfs/dbraw/zinc/42/54/19/804425419.db2.gz MSXCZLUBGCLWKD-GUYCJALGSA-N 1 3 292.854 3.258 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246585641 804430059 /nfs/dbraw/zinc/43/00/59/804430059.db2.gz YNNRSMMRBDYLKA-SJLPKXTDSA-N 1 3 274.452 3.377 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246585641 804430066 /nfs/dbraw/zinc/43/00/66/804430066.db2.gz YNNRSMMRBDYLKA-SJLPKXTDSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@@]1(F)CCN(C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1F ZINC001246590001 804432022 /nfs/dbraw/zinc/43/20/22/804432022.db2.gz RFWIENFUYYBRBM-HUUCEWRRSA-N 1 3 286.410 3.071 20 0 CGADHO CCCCCC1CCC(N2CC(C)(C[NH3+])C2)CC1 ZINC001246601277 804438840 /nfs/dbraw/zinc/43/88/40/804438840.db2.gz UOOWKMQKMBRVAB-UHFFFAOYSA-N 1 3 252.446 3.406 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N3CC[C@@H]4[NH2+]CC[C@@H]43)C2)cc1 ZINC001246623534 804454956 /nfs/dbraw/zinc/45/49/56/804454956.db2.gz AOZUEHCJBNRLAL-MHORFTMASA-N 1 3 270.420 3.149 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC(F)(C[NH3+])CC1 ZINC001246627579 804458846 /nfs/dbraw/zinc/45/88/46/804458846.db2.gz NOAPDGJEGRFWAT-GFCCVEGCSA-N 1 3 284.806 3.034 20 0 CGADHO C1NCC12CC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001246631080 804462288 /nfs/dbraw/zinc/46/22/88/804462288.db2.gz OQGGWUNUXRPIPK-OAHLLOKOSA-N 1 3 262.441 3.175 20 0 CGADHO C1NCC12CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001246631080 804462290 /nfs/dbraw/zinc/46/22/90/804462290.db2.gz OQGGWUNUXRPIPK-OAHLLOKOSA-N 1 3 262.441 3.175 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643916 804470051 /nfs/dbraw/zinc/47/00/51/804470051.db2.gz HXIAQFAIFJTRPQ-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCCC23CCNCC3)CC(C)(C)C1 ZINC001246643916 804470055 /nfs/dbraw/zinc/47/00/55/804470055.db2.gz HXIAQFAIFJTRPQ-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CCC3(CC[NH2+]3)CC2)cc1 ZINC001246646512 804473792 /nfs/dbraw/zinc/47/37/92/804473792.db2.gz FQHVBLYWSONKKQ-INIZCTEOSA-N 1 3 272.436 3.144 20 0 CGADHO CC1(C)CCC[C@@H]([N@@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)C1 ZINC001246657521 804481839 /nfs/dbraw/zinc/48/18/39/804481839.db2.gz QZIALHABFLDPIV-SCRDCRAPSA-N 1 3 290.373 3.039 20 0 CGADHO CC1(C)CCC[C@@H]([N@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)C1 ZINC001246657521 804481842 /nfs/dbraw/zinc/48/18/42/804481842.db2.gz QZIALHABFLDPIV-SCRDCRAPSA-N 1 3 290.373 3.039 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@H+](C2CCCC2)CC3)cc1 ZINC001246672611 804489737 /nfs/dbraw/zinc/48/97/37/804489737.db2.gz MKPWZIOCLDGOIM-HKUYNNGSSA-N 1 3 284.447 3.182 20 0 CGADHO c1ccc([C@@]23CCNC[C@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672611 804489740 /nfs/dbraw/zinc/48/97/40/804489740.db2.gz MKPWZIOCLDGOIM-HKUYNNGSSA-N 1 3 284.447 3.182 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246688716 804497411 /nfs/dbraw/zinc/49/74/11/804497411.db2.gz HIAIOMDKRRJFCH-JYJNAYRXSA-N 1 3 270.436 3.369 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246688716 804497416 /nfs/dbraw/zinc/49/74/16/804497416.db2.gz HIAIOMDKRRJFCH-JYJNAYRXSA-N 1 3 270.436 3.369 20 0 CGADHO CCC[N@H+](Cc1ccccc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246773379 804504951 /nfs/dbraw/zinc/50/49/51/804504951.db2.gz BUQBEVJMTWUQOJ-HUUCEWRRSA-N 1 3 260.425 3.428 20 0 CGADHO CCC[N@@H+](Cc1ccccc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246773379 804504957 /nfs/dbraw/zinc/50/49/57/804504957.db2.gz BUQBEVJMTWUQOJ-HUUCEWRRSA-N 1 3 260.425 3.428 20 0 CGADHO CCCN(Cc1ccccc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246773379 804504961 /nfs/dbraw/zinc/50/49/61/804504961.db2.gz BUQBEVJMTWUQOJ-HUUCEWRRSA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246777687 804507010 /nfs/dbraw/zinc/50/70/10/804507010.db2.gz RYHPUKVHQYDNTD-SJORKVTESA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246777687 804507014 /nfs/dbraw/zinc/50/70/14/804507014.db2.gz RYHPUKVHQYDNTD-SJORKVTESA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@@H]1C[C@@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777687 804507018 /nfs/dbraw/zinc/50/70/18/804507018.db2.gz RYHPUKVHQYDNTD-SJORKVTESA-N 1 3 260.425 3.082 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246781380 804507567 /nfs/dbraw/zinc/50/75/67/804507567.db2.gz FYIPXUDRNAPRIY-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2CCOC)CCN1 ZINC001246785293 804511861 /nfs/dbraw/zinc/51/18/61/804511861.db2.gz KRMPAVFJQAPHBZ-BRWVUGGUSA-N 1 3 282.472 3.188 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2CCOC)CCN1 ZINC001246785293 804511866 /nfs/dbraw/zinc/51/18/66/804511866.db2.gz KRMPAVFJQAPHBZ-BRWVUGGUSA-N 1 3 282.472 3.188 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+](CC2CC2)C(C)C)CCN1 ZINC001246791641 804515394 /nfs/dbraw/zinc/51/53/94/804515394.db2.gz RDCIVINOXLSYNQ-CVEARBPZSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C(C)C)CCN1 ZINC001246791641 804515396 /nfs/dbraw/zinc/51/53/96/804515396.db2.gz RDCIVINOXLSYNQ-CVEARBPZSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@H]2C)CCN1 ZINC001246792108 804515443 /nfs/dbraw/zinc/51/54/43/804515443.db2.gz UHYZCIULRFSFGY-KLHDSHLOSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H]2C)CCN1 ZINC001246792108 804515446 /nfs/dbraw/zinc/51/54/46/804515446.db2.gz UHYZCIULRFSFGY-KLHDSHLOSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246794448 804516836 /nfs/dbraw/zinc/51/68/36/804516836.db2.gz ZTJWZBWVBSIJBM-GOSISDBHSA-N 1 3 286.463 3.329 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246794448 804516842 /nfs/dbraw/zinc/51/68/42/804516842.db2.gz ZTJWZBWVBSIJBM-GOSISDBHSA-N 1 3 286.463 3.329 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CCCC3(C[NH2+]C3)C2)cc1 ZINC001246793278 804517136 /nfs/dbraw/zinc/51/71/36/804517136.db2.gz UPEFTADFMQPAJV-INIZCTEOSA-N 1 3 272.436 3.002 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246800720 804522207 /nfs/dbraw/zinc/52/22/07/804522207.db2.gz GICTXJDHGCFUEN-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC001246800720 804522213 /nfs/dbraw/zinc/52/22/13/804522213.db2.gz GICTXJDHGCFUEN-CABCVRRESA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3F)CC2)CCN1 ZINC001246824979 804537380 /nfs/dbraw/zinc/53/73/80/804537380.db2.gz RIUMUSIPYFLFNR-YOEHRIQHSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@H]1C[C@@H](N2CCC(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246824979 804537382 /nfs/dbraw/zinc/53/73/82/804537382.db2.gz RIUMUSIPYFLFNR-YOEHRIQHSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246838869 804548536 /nfs/dbraw/zinc/54/85/36/804548536.db2.gz JITUDYPLIPMQCE-LXTVHRRPSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCN[C@@H](C(C)(C)C)C2)C1 ZINC001246838869 804548539 /nfs/dbraw/zinc/54/85/39/804548539.db2.gz JITUDYPLIPMQCE-LXTVHRRPSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC[C@H]1CC[NH3+] ZINC001246842814 804552439 /nfs/dbraw/zinc/55/24/39/804552439.db2.gz DMRCMGMQKKSRLC-DOMZBBRYSA-N 1 3 266.816 3.084 20 0 CGADHO CC[C@@H]1CC([N@H+](C)C[C@@H]2CC2(C)C)C[C@@H](CC)N1 ZINC001246847314 804555901 /nfs/dbraw/zinc/55/59/01/804555901.db2.gz SWXHINZKHSQRTG-BFHYXJOUSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1CC([N@@H+](C)C[C@@H]2CC2(C)C)C[C@@H](CC)N1 ZINC001246847314 804555905 /nfs/dbraw/zinc/55/59/05/804555905.db2.gz SWXHINZKHSQRTG-BFHYXJOUSA-N 1 3 252.446 3.274 20 0 CGADHO C[NH2+]CC[C@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001246855150 804563949 /nfs/dbraw/zinc/56/39/49/804563949.db2.gz VGDLRLGQRUWCHT-JSGCOSHPSA-N 1 3 266.816 3.127 20 0 CGADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCC[C@H]3C[C@H]32)CC[NH2+]1 ZINC001246908052 804592954 /nfs/dbraw/zinc/59/29/54/804592954.db2.gz WZSAXWPAJNBYTB-UNQWWWNPSA-N 1 3 288.410 3.412 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC001246915929 804598825 /nfs/dbraw/zinc/59/88/25/804598825.db2.gz ZHPHRXAHDRRLDD-ZBFHGGJFSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC001246915929 804598829 /nfs/dbraw/zinc/59/88/29/804598829.db2.gz ZHPHRXAHDRRLDD-ZBFHGGJFSA-N 1 3 250.430 3.172 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246934240 804607632 /nfs/dbraw/zinc/60/76/32/804607632.db2.gz AOTDKNBJKRKBKC-RYQLBKOJSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H]1CCC[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246934240 804607634 /nfs/dbraw/zinc/60/76/34/804607634.db2.gz AOTDKNBJKRKBKC-RYQLBKOJSA-N 1 3 294.483 3.188 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H](C)CSc1ccc(F)cc1 ZINC001246942170 804611931 /nfs/dbraw/zinc/61/19/31/804611931.db2.gz NIRXKTCSAUXADG-UONOGXRCSA-N 1 3 296.455 3.238 20 0 CGADHO C[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966332 804621168 /nfs/dbraw/zinc/62/11/68/804621168.db2.gz RLUMIMGTKOJIJY-YOEHRIQHSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)CCN1 ZINC001246966332 804621169 /nfs/dbraw/zinc/62/11/69/804621169.db2.gz RLUMIMGTKOJIJY-YOEHRIQHSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H]1C[C@@H](N(Cc2ccccc2)C2CCC2)CC[NH2+]1 ZINC001246966332 804621172 /nfs/dbraw/zinc/62/11/72/804621172.db2.gz RLUMIMGTKOJIJY-YOEHRIQHSA-N 1 3 258.409 3.182 20 0 CGADHO CCCc1ccc(C[N@H+]2C[C@H]3CN(CC)C[C@H]3C2)cc1 ZINC001142367587 804719792 /nfs/dbraw/zinc/71/97/92/804719792.db2.gz RZJVCSXAQVASIX-HDICACEKSA-N 1 3 272.436 3.023 20 0 CGADHO CCCc1ccc(C[N@@H+]2C[C@H]3CN(CC)C[C@H]3C2)cc1 ZINC001142367587 804719795 /nfs/dbraw/zinc/71/97/95/804719795.db2.gz RZJVCSXAQVASIX-HDICACEKSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CC(N[C@@H](CC[NH+](C)C)c2ccccc2)C[C@@H](C)O1 ZINC001257073805 807042436 /nfs/dbraw/zinc/04/24/36/807042436.db2.gz VOHHOYKTJLIGHD-RKVPGOIHSA-N 1 3 290.451 3.225 20 0 CGADHO CCCC[C@H](CC)[NH+]1CCN(c2ccncc2)CC1 ZINC001257419474 807147286 /nfs/dbraw/zinc/14/72/86/807147286.db2.gz XKIDZGCPIDYLTJ-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO C1=CC[C@H](CN2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167924658 807275581 /nfs/dbraw/zinc/27/55/81/807275581.db2.gz SLDOQVACVJXXNS-LISAXSMJSA-N 1 3 274.452 3.195 20 0 CGADHO C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2(CC2)C1 ZINC001168003233 807297602 /nfs/dbraw/zinc/29/76/02/807297602.db2.gz LEUMQYBTLJYKGP-JTUUTPGSSA-N 1 3 274.452 3.266 20 0 CGADHO C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C2(CC2)C1 ZINC001168003233 807297606 /nfs/dbraw/zinc/29/76/06/807297606.db2.gz LEUMQYBTLJYKGP-JTUUTPGSSA-N 1 3 274.452 3.266 20 0 CGADHO CC(C)=CCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001258086577 807298954 /nfs/dbraw/zinc/29/89/54/807298954.db2.gz UZKYWOXTSNRWKC-MRXNPFEDSA-N 1 3 273.424 3.339 20 0 CGADHO CCOC(=O)CCC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258103961 807309382 /nfs/dbraw/zinc/30/93/82/807309382.db2.gz DVUANAQKYABXQZ-CYBMUJFWSA-N 1 3 298.471 3.089 20 0 CGADHO CN1CC2(C1)CC[NH+](C1CCCCCCC1)CC2 ZINC001258243029 807384835 /nfs/dbraw/zinc/38/48/35/807384835.db2.gz DZUCMFGXNLVHHX-UHFFFAOYSA-N 1 3 250.430 3.127 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCCC(C)(C)C3)C[C@H]2C1 ZINC001258293683 807401948 /nfs/dbraw/zinc/40/19/48/807401948.db2.gz POQLLBYAJDWLGH-OAGGEKHMSA-N 1 3 264.457 3.229 20 0 CGADHO CCCC1CCC([NH+]2CCC3(CN(C)C3)CC2)CC1 ZINC001258534267 807489973 /nfs/dbraw/zinc/48/99/73/807489973.db2.gz SPJKGOFUQVZSBI-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169100250 807576672 /nfs/dbraw/zinc/57/66/72/807576672.db2.gz HIXSCWOEUTUUIN-XLMAVXFVSA-N 1 3 270.420 3.197 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169100250 807576676 /nfs/dbraw/zinc/57/66/76/807576676.db2.gz HIXSCWOEUTUUIN-XLMAVXFVSA-N 1 3 270.420 3.197 20 0 CGADHO CCN(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169123816 807585276 /nfs/dbraw/zinc/58/52/76/807585276.db2.gz NANUHHQWXVLNEE-BJWYYQGGSA-N 1 3 258.409 3.134 20 0 CGADHO CCN(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169123816 807585280 /nfs/dbraw/zinc/58/52/80/807585280.db2.gz NANUHHQWXVLNEE-BJWYYQGGSA-N 1 3 258.409 3.134 20 0 CGADHO CC[NH+]1CCC(N[C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001169240459 807612269 /nfs/dbraw/zinc/61/22/69/807612269.db2.gz IXUCRNHFENAHDY-KRWDZBQOSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH+]1CCN(c2ccncc2)CC1 ZINC001258789034 807614309 /nfs/dbraw/zinc/61/43/09/807614309.db2.gz UYNVNMVXDCDKRI-JKSUJKDBSA-N 1 3 275.440 3.418 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](CC)Cc3ccccc3)C[C@@H]2C1 ZINC001258853056 807660338 /nfs/dbraw/zinc/66/03/38/807660338.db2.gz SQLARPSIHHZGFI-CEXWTWQISA-N 1 3 286.463 3.281 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](CC)Cc3ccccc3)C[C@@H]2C1 ZINC001258853056 807660351 /nfs/dbraw/zinc/66/03/51/807660351.db2.gz SQLARPSIHHZGFI-CEXWTWQISA-N 1 3 286.463 3.281 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C(C)=O)c1ccccc1 ZINC001258899427 807669172 /nfs/dbraw/zinc/66/91/72/807669172.db2.gz LJBVCVAVSWGYMN-CRAIPNDOSA-N 1 3 290.451 3.417 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C1 ZINC001170111775 807761067 /nfs/dbraw/zinc/76/10/67/807761067.db2.gz DRZNPIQIPADXSZ-WMLDXEAASA-N 1 3 264.457 3.419 20 0 CGADHO CC[NH+](CC)CCCN[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170656134 807868917 /nfs/dbraw/zinc/86/89/17/807868917.db2.gz UTMCZIRRKVHSEV-HNNXBMFYSA-N 1 3 296.405 3.144 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720281 807883664 /nfs/dbraw/zinc/88/36/64/807883664.db2.gz KDZKRTHVXBAPTJ-LVQVYYBASA-N 1 3 264.457 3.275 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170716494 807884073 /nfs/dbraw/zinc/88/40/73/807884073.db2.gz UWQLHMNOWFBGGC-XABIJQAGSA-N 1 3 278.484 3.379 20 0 CGADHO C(C1CCCCC1)N1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC001170797071 807908831 /nfs/dbraw/zinc/90/88/31/807908831.db2.gz SMMSVHAMAHSJQG-KRWDZBQOSA-N 1 3 294.483 3.190 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171098080 807983236 /nfs/dbraw/zinc/98/32/36/807983236.db2.gz BPWOWELNZAPZDI-IAGOWNOFSA-N 1 3 292.854 3.271 20 0 CGADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccncc3)c2c1 ZINC001171165464 807998997 /nfs/dbraw/zinc/99/89/97/807998997.db2.gz OPKMPXMKVRLMCK-ZDUSSCGKSA-N 1 3 265.360 3.224 20 0 CGADHO CN1C(C)(C)CC([NH2+]C[C@@H]2CCC[C@H]2F)CC1(C)C ZINC001171613130 808105491 /nfs/dbraw/zinc/10/54/91/808105491.db2.gz GBRHJJBUTMYZJE-GXTWGEPZSA-N 1 3 270.436 3.366 20 0 CGADHO C[NH+]1C(C)(C)CC(Nc2cccc(F)c2CN)CC1(C)C ZINC001171619856 808106667 /nfs/dbraw/zinc/10/66/67/808106667.db2.gz SQOOVUKZYMECGW-UHFFFAOYSA-N 1 3 293.430 3.348 20 0 CGADHO CCC1(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CCOCC1 ZINC001171631298 808107499 /nfs/dbraw/zinc/10/74/99/808107499.db2.gz XWILIYBVBMSWHC-UHFFFAOYSA-N 1 3 296.499 3.434 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@](C)(F)C2)CC1(C)C ZINC001171631384 808107996 /nfs/dbraw/zinc/10/79/96/808107996.db2.gz HUGGLKBJMCXSTG-MRXNPFEDSA-N 1 3 270.436 3.462 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCC[C@@](C)(F)C2)CC1(C)C ZINC001171631384 808107998 /nfs/dbraw/zinc/10/79/98/808107998.db2.gz HUGGLKBJMCXSTG-MRXNPFEDSA-N 1 3 270.436 3.462 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@@](C)(CF)C2)CC1(C)C ZINC001171631242 808108076 /nfs/dbraw/zinc/10/80/76/808108076.db2.gz GMHWHTISIGITAN-INIZCTEOSA-N 1 3 270.436 3.319 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@@](C)(CF)C2)CC1(C)C ZINC001171631242 808108080 /nfs/dbraw/zinc/10/80/80/808108080.db2.gz GMHWHTISIGITAN-INIZCTEOSA-N 1 3 270.436 3.319 20 0 CGADHO CC[N@H+](C1CCN(C)CC1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171636880 808109031 /nfs/dbraw/zinc/10/90/31/808109031.db2.gz JEJCBKACWOPPQP-UHFFFAOYSA-N 1 3 295.515 3.054 20 0 CGADHO CC[N@@H+](C1CCN(C)CC1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171636880 808109034 /nfs/dbraw/zinc/10/90/34/808109034.db2.gz JEJCBKACWOPPQP-UHFFFAOYSA-N 1 3 295.515 3.054 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC001171752188 808131997 /nfs/dbraw/zinc/13/19/97/808131997.db2.gz QQSVFYVUXQZJMU-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC001171752188 808132001 /nfs/dbraw/zinc/13/20/01/808132001.db2.gz QQSVFYVUXQZJMU-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC001172102311 808174153 /nfs/dbraw/zinc/17/41/53/808174153.db2.gz LXMTXCLTLDIERI-NNZMDNLPSA-N 1 3 295.430 3.340 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104182 808174326 /nfs/dbraw/zinc/17/43/26/808174326.db2.gz ANFHVSZXCXJUIT-OSYLJGHBSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104182 808174332 /nfs/dbraw/zinc/17/43/32/808174332.db2.gz ANFHVSZXCXJUIT-OSYLJGHBSA-N 1 3 272.436 3.408 20 0 CGADHO Cc1ncccc1[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172108496 808176469 /nfs/dbraw/zinc/17/64/69/808176469.db2.gz AQCZHYGAJPYFOF-BMFAXAFESA-N 1 3 299.462 3.446 20 0 CGADHO Cc1ncccc1[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172108496 808176471 /nfs/dbraw/zinc/17/64/71/808176471.db2.gz AQCZHYGAJPYFOF-BMFAXAFESA-N 1 3 299.462 3.446 20 0 CGADHO CC[C@@H](CC(C)C)[NH+]1CCN(c2ccncc2)CC1 ZINC001172402770 808292507 /nfs/dbraw/zinc/29/25/07/808292507.db2.gz VJNINSZZWUBAIT-HNNXBMFYSA-N 1 3 261.413 3.028 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172864312 808467971 /nfs/dbraw/zinc/46/79/71/808467971.db2.gz VGCJYSZXWXJTHO-GFCCVEGCSA-N 1 3 286.822 3.469 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172864312 808467972 /nfs/dbraw/zinc/46/79/72/808467972.db2.gz VGCJYSZXWXJTHO-GFCCVEGCSA-N 1 3 286.822 3.469 20 0 CGADHO CC(C)N(CCC[NH3+])[C@H](C)Cc1ccc(F)cc1Cl ZINC001172864312 808467975 /nfs/dbraw/zinc/46/79/75/808467975.db2.gz VGCJYSZXWXJTHO-GFCCVEGCSA-N 1 3 286.822 3.469 20 0 CGADHO c1cc(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c[nH]1 ZINC001276101560 808987464 /nfs/dbraw/zinc/98/74/64/808987464.db2.gz ASFQWVFVOLGMPE-UHFFFAOYSA-N 1 3 287.451 3.245 20 0 CGADHO c1cc(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c[nH]1 ZINC001276101560 808987466 /nfs/dbraw/zinc/98/74/66/808987466.db2.gz ASFQWVFVOLGMPE-UHFFFAOYSA-N 1 3 287.451 3.245 20 0 CGADHO Cc1cccc(F)c1CN1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276689009 809025158 /nfs/dbraw/zinc/02/51/58/809025158.db2.gz XUFSHRQWCIGJEV-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cccc(F)c1CN1CCC2(CC[N@H+](C)C2)CC1 ZINC001276689009 809025165 /nfs/dbraw/zinc/02/51/65/809025165.db2.gz XUFSHRQWCIGJEV-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO CN(C)CCC[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001181556058 810059139 /nfs/dbraw/zinc/05/91/39/810059139.db2.gz SNCOJYXWFZNMMZ-UHFFFAOYSA-N 1 3 289.250 3.419 20 0 CGADHO CN(C)CCC[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001181556058 810059142 /nfs/dbraw/zinc/05/91/42/810059142.db2.gz SNCOJYXWFZNMMZ-UHFFFAOYSA-N 1 3 289.250 3.419 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@@H]2C1 ZINC001184388760 810196498 /nfs/dbraw/zinc/19/64/98/810196498.db2.gz SQXQSLGUWNLLSK-MUXQXJNHSA-N 1 3 284.447 3.037 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001201442210 811849499 /nfs/dbraw/zinc/84/94/99/811849499.db2.gz UVHSDMXTVUJLOT-QZTJIDSGSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001201442210 811849506 /nfs/dbraw/zinc/84/95/06/811849506.db2.gz UVHSDMXTVUJLOT-QZTJIDSGSA-N 1 3 286.463 3.486 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC(C)(C)C ZINC001201443803 811850508 /nfs/dbraw/zinc/85/05/08/811850508.db2.gz VIUZQNCFMKVKCX-LSDHHAIUSA-N 1 3 252.446 3.371 20 0 CGADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC(C)(C)C ZINC001201443803 811850516 /nfs/dbraw/zinc/85/05/16/811850516.db2.gz VIUZQNCFMKVKCX-LSDHHAIUSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478494 811855574 /nfs/dbraw/zinc/85/55/74/811855574.db2.gz MYIPPBJMSUUDDX-ROUUACIJSA-N 1 3 272.436 3.096 20 0 CGADHO CC(C)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201478494 811855582 /nfs/dbraw/zinc/85/55/82/811855582.db2.gz MYIPPBJMSUUDDX-ROUUACIJSA-N 1 3 272.436 3.096 20 0 CGADHO c1c[nH]c(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001204005779 812515798 /nfs/dbraw/zinc/51/57/98/812515798.db2.gz QHDAFZQEZMITLJ-UHFFFAOYSA-N 1 3 299.418 3.096 20 0 CGADHO c1c[nH]c(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001204005779 812515804 /nfs/dbraw/zinc/51/58/04/812515804.db2.gz QHDAFZQEZMITLJ-UHFFFAOYSA-N 1 3 299.418 3.096 20 0 CGADHO Cc1c2ccccc2sc1C[N@@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204904654 812771395 /nfs/dbraw/zinc/77/13/95/812771395.db2.gz VSIODGOIBLKLJJ-OAHLLOKOSA-N 1 3 272.417 3.133 20 0 CGADHO Cc1c2ccccc2sc1C[N@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204904654 812771397 /nfs/dbraw/zinc/77/13/97/812771397.db2.gz VSIODGOIBLKLJJ-OAHLLOKOSA-N 1 3 272.417 3.133 20 0 CGADHO N[C@@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)CC12CC2 ZINC001204912345 812773475 /nfs/dbraw/zinc/77/34/75/812773475.db2.gz ULFNDIRBXCBYGZ-GOSISDBHSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC12CC2 ZINC001204912345 812773477 /nfs/dbraw/zinc/77/34/77/812773477.db2.gz ULFNDIRBXCBYGZ-GOSISDBHSA-N 1 3 296.389 3.416 20 0 CGADHO C[C@H]1CC[C@@H](C[NH3+])N1C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001205058612 812842007 /nfs/dbraw/zinc/84/20/07/812842007.db2.gz OZLALYWXKDFNCD-MZGVZZPPSA-N 1 3 278.827 3.255 20 0 CGADHO N[C@@H]1CCC[N@H+](CCCCCc2ccccc2)CC1 ZINC001205094558 812861321 /nfs/dbraw/zinc/86/13/21/812861321.db2.gz MWDSOGKOVYKBSK-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO N[C@@H]1CCC[N@@H+](CCCCCc2ccccc2)CC1 ZINC001205094558 812861326 /nfs/dbraw/zinc/86/13/26/812861326.db2.gz MWDSOGKOVYKBSK-QGZVFWFLSA-N 1 3 260.425 3.213 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cccc(C)c1C ZINC001205095602 812861471 /nfs/dbraw/zinc/86/14/71/812861471.db2.gz HGFOBWOMIJLXAB-UHFFFAOYSA-N 1 3 262.441 3.467 20 0 CGADHO Cc1cc(OC(C)C)cc(C)c1CN1CCC[C@@H]([NH3+])CC1 ZINC001205124557 812877854 /nfs/dbraw/zinc/87/78/54/812877854.db2.gz VEVKYOCDIKYTAT-MRXNPFEDSA-N 1 3 290.451 3.404 20 0 CGADHO CCOc1ccc(CN2CCC[C@](C)([NH3+])CC2)c(C)c1 ZINC001205265633 812922595 /nfs/dbraw/zinc/92/25/95/812922595.db2.gz QFRDRRPUIUHYAW-KRWDZBQOSA-N 1 3 276.424 3.097 20 0 CGADHO CC(C)c1ccc(CCN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205296098 812935410 /nfs/dbraw/zinc/93/54/10/812935410.db2.gz GREPWKSLYJYLCB-QAPCUYQASA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC001205296098 812935419 /nfs/dbraw/zinc/93/54/19/812935419.db2.gz GREPWKSLYJYLCB-QAPCUYQASA-N 1 3 274.452 3.269 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC001205296098 812935421 /nfs/dbraw/zinc/93/54/21/812935421.db2.gz GREPWKSLYJYLCB-QAPCUYQASA-N 1 3 274.452 3.269 20 0 CGADHO C[C@@H]1CCN(CCCc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC001205295742 812936083 /nfs/dbraw/zinc/93/60/83/812936083.db2.gz BJVPNCCBUSAVFM-HIFRSBDPSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CC[N@H+](CCCc2cccc(Cl)c2)C[C@@H]1CN ZINC001205295742 812936087 /nfs/dbraw/zinc/93/60/87/812936087.db2.gz BJVPNCCBUSAVFM-HIFRSBDPSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@@H]1CN ZINC001205295742 812936090 /nfs/dbraw/zinc/93/60/90/812936090.db2.gz BJVPNCCBUSAVFM-HIFRSBDPSA-N 1 3 280.843 3.189 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001205296251 812937514 /nfs/dbraw/zinc/93/75/14/812937514.db2.gz JZJZXKAAAXAXPX-HRCADAONSA-N 1 3 252.446 3.286 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC001205296251 812937516 /nfs/dbraw/zinc/93/75/16/812937516.db2.gz JZJZXKAAAXAXPX-HRCADAONSA-N 1 3 252.446 3.286 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@@H](C)[C@H](CN)C1)CC(C)(C)C ZINC001205297133 812937653 /nfs/dbraw/zinc/93/76/53/812937653.db2.gz ZPUFJWPLWFUZDM-RBSFLKMASA-N 1 3 254.462 3.366 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@@H](C)[C@H](CN)C1)CC(C)(C)C ZINC001205297133 812937654 /nfs/dbraw/zinc/93/76/54/812937654.db2.gz ZPUFJWPLWFUZDM-RBSFLKMASA-N 1 3 254.462 3.366 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C3CCC3)cc2)C[C@@H]1C[NH3+] ZINC001205317171 812949787 /nfs/dbraw/zinc/94/97/87/812949787.db2.gz MYXGQIVZGMRMQX-KDOFPFPSSA-N 1 3 272.436 3.371 20 0 CGADHO C[C@H]1CCN(Cc2cccc3c(F)cccc23)C[C@H]1C[NH3+] ZINC001205319091 812951713 /nfs/dbraw/zinc/95/17/13/812951713.db2.gz YRFHOWIGBGEIOT-DZGCQCFKSA-N 1 3 286.394 3.396 20 0 CGADHO [NH3+]C[C@]1(F)CCCN(Cc2sccc2Cl)CC1 ZINC001205545864 813000615 /nfs/dbraw/zinc/00/06/15/813000615.db2.gz NWTBVISVYMSISK-LBPRGKRZSA-N 1 3 276.808 3.054 20 0 CGADHO Cc1ccc(CN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(F)c1F ZINC001205616781 813027721 /nfs/dbraw/zinc/02/77/21/813027721.db2.gz GXMWCOBOTSOXKG-AAEUAGOBSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001205901001 813123304 /nfs/dbraw/zinc/12/33/04/813123304.db2.gz AJGSCLDMYZCNAH-HZPDHXFCSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205901001 813123306 /nfs/dbraw/zinc/12/33/06/813123306.db2.gz AJGSCLDMYZCNAH-HZPDHXFCSA-N 1 3 274.452 3.414 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@H]1F ZINC001206167320 813222365 /nfs/dbraw/zinc/22/23/65/813222365.db2.gz YHBVHANFCSCFOX-CHWSQXEVSA-N 1 3 295.789 3.083 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)CC[C@H]1F ZINC001206167320 813222369 /nfs/dbraw/zinc/22/23/69/813222369.db2.gz YHBVHANFCSCFOX-CHWSQXEVSA-N 1 3 295.789 3.083 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206188934 813233403 /nfs/dbraw/zinc/23/34/03/813233403.db2.gz WIVAJNKABCKDEF-HOTGVXAUSA-N 1 3 294.414 3.043 20 0 CGADHO Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1 ZINC001206188934 813233406 /nfs/dbraw/zinc/23/34/06/813233406.db2.gz WIVAJNKABCKDEF-HOTGVXAUSA-N 1 3 294.414 3.043 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2ccc(C3CCC3)cc2)CC[C@H]1F ZINC001206196673 813236706 /nfs/dbraw/zinc/23/67/06/813236706.db2.gz CKHBGCBIOVNHJW-IAGOWNOFSA-N 1 3 276.399 3.215 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2csc(Cl)c2)CC1 ZINC001206311738 813284701 /nfs/dbraw/zinc/28/47/01/813284701.db2.gz TYNUOGYIOHCLEK-CYBMUJFWSA-N 1 3 272.845 3.352 20 0 CGADHO Cc1cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1F ZINC001206580112 813362696 /nfs/dbraw/zinc/36/26/96/813362696.db2.gz CHASNXUHDXVTTM-MRXNPFEDSA-N 1 3 278.415 3.487 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606307 813373404 /nfs/dbraw/zinc/37/34/04/813373404.db2.gz KCWGODMASAERIF-ARFHVFGLSA-N 1 3 250.430 3.040 20 0 CGADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCCC[C@H](CN)C2)CC1 ZINC001206606307 813373411 /nfs/dbraw/zinc/37/34/11/813373411.db2.gz KCWGODMASAERIF-ARFHVFGLSA-N 1 3 250.430 3.040 20 0 CGADHO COc1cc2ccccc2cc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206641209 813384348 /nfs/dbraw/zinc/38/43/48/813384348.db2.gz ULUUJPFFOWYIGO-HNNXBMFYSA-N 1 3 298.430 3.409 20 0 CGADHO CSc1cc(C)cc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC001206648145 813387163 /nfs/dbraw/zinc/38/71/63/813387163.db2.gz MFXCPANZABIUIX-CQSZACIVSA-N 1 3 278.465 3.278 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001206760745 813426363 /nfs/dbraw/zinc/42/63/63/813426363.db2.gz LCNKYGVRAXSDCJ-DOTOQJQBSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2C[C@@H](CN)CC[C@@H]2C)cc1 ZINC001206760745 813426366 /nfs/dbraw/zinc/42/63/66/813426366.db2.gz LCNKYGVRAXSDCJ-DOTOQJQBSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206760745 813426369 /nfs/dbraw/zinc/42/63/69/813426369.db2.gz LCNKYGVRAXSDCJ-DOTOQJQBSA-N 1 3 274.452 3.412 20 0 CGADHO CC1(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CCCC1 ZINC001206828451 813447442 /nfs/dbraw/zinc/44/74/42/813447442.db2.gz XRRKJELEYAGKGF-MRXNPFEDSA-N 1 3 264.457 3.278 20 0 CGADHO C[NH+]1CC2(C1)CCN(Cc1cccc(C(F)F)c1)CC2 ZINC001207131270 813492653 /nfs/dbraw/zinc/49/26/53/813492653.db2.gz BVROSFRFYBFTGJ-UHFFFAOYSA-N 1 3 280.362 3.152 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1cccc(C(F)F)c1)CC2 ZINC001207131270 813492656 /nfs/dbraw/zinc/49/26/56/813492656.db2.gz BVROSFRFYBFTGJ-UHFFFAOYSA-N 1 3 280.362 3.152 20 0 CGADHO COc1cccc([C@H]2CCN(CC(C)(C)C[NH+](C)C)C2)c1 ZINC001207287791 813536547 /nfs/dbraw/zinc/53/65/47/813536547.db2.gz FKNCEOZODHEMRK-INIZCTEOSA-N 1 3 290.451 3.072 20 0 CGADHO CN1CC2(C1)CC[NH+](CCCc1ccc(Cl)cc1)CC2 ZINC001207596614 813606750 /nfs/dbraw/zinc/60/67/50/813606750.db2.gz ABSYMARJTAZMOK-UHFFFAOYSA-N 1 3 292.854 3.300 20 0 CGADHO CN(C[C@H]1CCc2ccccc21)CC(C)(C)C[NH+](C)C ZINC001207738939 813643513 /nfs/dbraw/zinc/64/35/13/813643513.db2.gz QZJHLCCLGRORHB-MRXNPFEDSA-N 1 3 274.452 3.236 20 0 CGADHO c1ccc(CN2CCC[C@H](C[N@@H+]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001208942514 813905748 /nfs/dbraw/zinc/90/57/48/813905748.db2.gz JDYYYUNTIOBZFE-OTWHNJEPSA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CCC[C@H](C[N@H+]3CCC[C@@H]4C[C@@H]43)C2)cc1 ZINC001208942514 813905754 /nfs/dbraw/zinc/90/57/54/813905754.db2.gz JDYYYUNTIOBZFE-OTWHNJEPSA-N 1 3 284.447 3.383 20 0 CGADHO C[C@@H]1CC(CN2CCC(C)([NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC001209405305 814015443 /nfs/dbraw/zinc/01/54/43/814015443.db2.gz XBYDDWXETMQUKZ-HZPDHXFCSA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209421292 814022844 /nfs/dbraw/zinc/02/28/44/814022844.db2.gz ORZLHNKMCVRIRW-WBVHZDCISA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209421292 814022849 /nfs/dbraw/zinc/02/28/49/814022849.db2.gz ORZLHNKMCVRIRW-WBVHZDCISA-N 1 3 272.436 3.239 20 0 CGADHO Cc1cccc2c(C[N@H+](C)CCCN3CCCC3)c[nH]c21 ZINC001209491421 814058641 /nfs/dbraw/zinc/05/86/41/814058641.db2.gz UVLOILYURCMVDQ-UHFFFAOYSA-N 1 3 285.435 3.394 20 0 CGADHO Cc1cccc2c(C[N@@H+](C)CCCN3CCCC3)c[nH]c21 ZINC001209491421 814058643 /nfs/dbraw/zinc/05/86/43/814058643.db2.gz UVLOILYURCMVDQ-UHFFFAOYSA-N 1 3 285.435 3.394 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CC[C@@]3(C2)CCCNC3)C1(C)C ZINC001222141714 816358147 /nfs/dbraw/zinc/35/81/47/816358147.db2.gz QUTBQJFOQGCCJO-WMZOPIPTSA-N 1 3 276.468 3.444 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CC[C@@]3(C2)CCCNC3)C1(C)C ZINC001222141714 816358152 /nfs/dbraw/zinc/35/81/52/816358152.db2.gz QUTBQJFOQGCCJO-WMZOPIPTSA-N 1 3 276.468 3.444 20 0 CGADHO Cn1ccc2c1cccc2CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265328 816390519 /nfs/dbraw/zinc/39/05/19/816390519.db2.gz RITRKZYCXOOWMR-IBGZPJMESA-N 1 3 297.446 3.144 20 0 CGADHO Cc1ccc2c(CN3CCC4(CCC[NH2+]C4)CC3)c[nH]c2c1 ZINC001222453177 816448674 /nfs/dbraw/zinc/44/86/74/816448674.db2.gz UDLQLCSBCWHPNL-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615199 816479416 /nfs/dbraw/zinc/47/94/16/816479416.db2.gz MXEGDEYULMDEHW-XJNFMUPTSA-N 1 3 290.838 3.127 20 0 CGADHO Clc1ccc([C@H]2C[C@H]2C[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615199 816479422 /nfs/dbraw/zinc/47/94/22/816479422.db2.gz MXEGDEYULMDEHW-XJNFMUPTSA-N 1 3 290.838 3.127 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231810646 818182775 /nfs/dbraw/zinc/18/27/75/818182775.db2.gz NYXYZKYJRJCIMR-SJORKVTESA-N 1 3 296.414 3.330 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@@H]2C1 ZINC001231810646 818182780 /nfs/dbraw/zinc/18/27/80/818182780.db2.gz NYXYZKYJRJCIMR-SJORKVTESA-N 1 3 296.414 3.330 20 0 CGADHO c1c2c[nH]ccc-2nc1CN1CCC([NH+]2CCCCC2)CC1 ZINC001232010775 818233767 /nfs/dbraw/zinc/23/37/67/818233767.db2.gz AFQXLBRBAHVAEX-UHFFFAOYSA-N 1 3 298.434 3.013 20 0 CGADHO c1c2cnccc2[nH]c1CN1CCC([NH+]2CCCCC2)CC1 ZINC001232010775 818233769 /nfs/dbraw/zinc/23/37/69/818233769.db2.gz AFQXLBRBAHVAEX-UHFFFAOYSA-N 1 3 298.434 3.013 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@@H+]2CCC(C)(C)C2)c1 ZINC001232148195 818263276 /nfs/dbraw/zinc/26/32/76/818263276.db2.gz YDIVNLBHRRGSLY-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO CN(C)Cc1cc(F)cc(C[N@H+]2CCC(C)(C)C2)c1 ZINC001232148195 818263280 /nfs/dbraw/zinc/26/32/80/818263280.db2.gz YDIVNLBHRRGSLY-UHFFFAOYSA-N 1 3 264.388 3.119 20 0 CGADHO CC[C@H](C)[N@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232147614 818263974 /nfs/dbraw/zinc/26/39/74/818263974.db2.gz IYWUQBOFPMCCDT-LBPRGKRZSA-N 1 3 252.377 3.118 20 0 CGADHO CC[C@H](C)[N@@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232147614 818263980 /nfs/dbraw/zinc/26/39/80/818263980.db2.gz IYWUQBOFPMCCDT-LBPRGKRZSA-N 1 3 252.377 3.118 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1ccnc2c(F)cccc12 ZINC001232214090 818280953 /nfs/dbraw/zinc/28/09/53/818280953.db2.gz NWZCFCKVRIBVJH-UHFFFAOYSA-N 1 3 289.398 3.148 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1ccnc2c(F)cccc12 ZINC001232214090 818280956 /nfs/dbraw/zinc/28/09/56/818280956.db2.gz NWZCFCKVRIBVJH-UHFFFAOYSA-N 1 3 289.398 3.148 20 0 CGADHO C[NH+](C)CC1CCN(Cc2ccnc(C(C)(C)C)c2)CC1 ZINC001232215383 818280982 /nfs/dbraw/zinc/28/09/82/818280982.db2.gz AMLZEPGLEWCGTM-UHFFFAOYSA-N 1 3 289.467 3.153 20 0 CGADHO Cc1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cnc1C ZINC001233160968 818530538 /nfs/dbraw/zinc/53/05/38/818530538.db2.gz MVWBTMCUSCLAEJ-UHFFFAOYSA-N 1 3 287.451 3.006 20 0 CGADHO Cc1c(Cl)ccc(CN2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235091459 818999702 /nfs/dbraw/zinc/99/97/02/818999702.db2.gz CCPPTHZFLXBZMK-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO c1ccc2c(c1)CCC21CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235154171 819018662 /nfs/dbraw/zinc/01/86/62/819018662.db2.gz UVBMVZRTCFRHCC-GOSISDBHSA-N 1 3 298.474 3.499 20 0 CGADHO N[C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235158285 819020236 /nfs/dbraw/zinc/02/02/36/819020236.db2.gz OZGXVKMXGYIJQD-PKOBYXMFSA-N 1 3 278.399 3.277 20 0 CGADHO N[C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001235158285 819020239 /nfs/dbraw/zinc/02/02/39/819020239.db2.gz OZGXVKMXGYIJQD-PKOBYXMFSA-N 1 3 278.399 3.277 20 0 CGADHO CCc1cccc(CN(C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001235258837 819052885 /nfs/dbraw/zinc/05/28/85/819052885.db2.gz SVSZYBADGRBQIE-UHFFFAOYSA-N 1 3 289.467 3.196 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@H](CF)[C@H](C3(N)CC3)C2)C1(C)C ZINC001235394197 819083241 /nfs/dbraw/zinc/08/32/41/819083241.db2.gz CHEGMMPMZJEQKO-ARFHVFGLSA-N 1 3 294.458 3.378 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@H](CF)[C@H](C3(N)CC3)C2)C1(C)C ZINC001235394197 819083248 /nfs/dbraw/zinc/08/32/48/819083248.db2.gz CHEGMMPMZJEQKO-ARFHVFGLSA-N 1 3 294.458 3.378 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2C[C@H](C3(N)CC3)[C@H](CF)C2)C1(C)C ZINC001235394207 819083656 /nfs/dbraw/zinc/08/36/56/819083656.db2.gz CHEGMMPMZJEQKO-OAGGEKHMSA-N 1 3 294.458 3.378 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2C[C@H](C3(N)CC3)[C@H](CF)C2)C1(C)C ZINC001235394207 819083659 /nfs/dbraw/zinc/08/36/59/819083659.db2.gz CHEGMMPMZJEQKO-OAGGEKHMSA-N 1 3 294.458 3.378 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235401715 819086253 /nfs/dbraw/zinc/08/62/53/819086253.db2.gz HJDDOOSWYXXQNV-LUKYLMHMSA-N 1 3 280.431 3.002 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)CC1 ZINC001235401715 819086258 /nfs/dbraw/zinc/08/62/58/819086258.db2.gz HJDDOOSWYXXQNV-LUKYLMHMSA-N 1 3 280.431 3.002 20 0 CGADHO CN(CCC[NH3+])Cc1cccc(-c2ccsc2)c1 ZINC001235435592 819098396 /nfs/dbraw/zinc/09/83/96/819098396.db2.gz RGPLEFYNLWUVKE-UHFFFAOYSA-N 1 3 260.406 3.196 20 0 CGADHO C[N@H+](CCc1ccc(Cl)cc1Cl)C1CCNCC1 ZINC001235471268 819106764 /nfs/dbraw/zinc/10/67/64/819106764.db2.gz CYEYSPVNACXHAE-UHFFFAOYSA-N 1 3 287.234 3.220 20 0 CGADHO C[N@@H+](CCc1ccc(Cl)cc1Cl)C1CCNCC1 ZINC001235471268 819106767 /nfs/dbraw/zinc/10/67/67/819106767.db2.gz CYEYSPVNACXHAE-UHFFFAOYSA-N 1 3 287.234 3.220 20 0 CGADHO Cc1cc(CN2CCC[C@H]2CC[NH3+])cc(C)c1OC(C)C ZINC001235925860 819225437 /nfs/dbraw/zinc/22/54/37/819225437.db2.gz QAJKYCMKBCWYIH-KRWDZBQOSA-N 1 3 290.451 3.404 20 0 CGADHO CCC(C)(C)c1ccc(CN2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235941226 819233610 /nfs/dbraw/zinc/23/36/10/819233610.db2.gz VCCWAHMXAMUBDN-IRXDYDNUSA-N 1 3 286.463 3.416 20 0 CGADHO CC[C@@H](N)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948210 819236978 /nfs/dbraw/zinc/23/69/78/819236978.db2.gz LPZGYANIRCDTKR-LJQANCHMSA-N 1 3 282.431 3.469 20 0 CGADHO CC[C@@H](N)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001235948210 819236985 /nfs/dbraw/zinc/23/69/85/819236985.db2.gz LPZGYANIRCDTKR-LJQANCHMSA-N 1 3 282.431 3.469 20 0 CGADHO Fc1ccc([C@H]2CC[N@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235949424 819240522 /nfs/dbraw/zinc/24/05/22/819240522.db2.gz JXXVIOHMYBFINW-KRWDZBQOSA-N 1 3 296.389 3.418 20 0 CGADHO Fc1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)CNC4)C2)cc1 ZINC001235949424 819240529 /nfs/dbraw/zinc/24/05/29/819240529.db2.gz JXXVIOHMYBFINW-KRWDZBQOSA-N 1 3 296.389 3.418 20 0 CGADHO CN(Cc1ccc(F)c2ccccc12)C[C@H]1CCC[NH2+]C1 ZINC001235957791 819245433 /nfs/dbraw/zinc/24/54/33/819245433.db2.gz UHGUILLLMHPZSS-AWEZNQCLSA-N 1 3 286.394 3.410 20 0 CGADHO COc1cccc(CCCN(C)CC[C@H]2CCCC[NH2+]2)c1 ZINC001236041842 819280473 /nfs/dbraw/zinc/28/04/73/819280473.db2.gz MEHNVYXRQUMLCT-QGZVFWFLSA-N 1 3 290.451 3.092 20 0 CGADHO CC[N@H+](CCN)Cc1cccc(-c2ccccc2)c1C ZINC001236144008 819344990 /nfs/dbraw/zinc/34/49/90/819344990.db2.gz ONLKJZOWLVVZEC-UHFFFAOYSA-N 1 3 268.404 3.443 20 0 CGADHO CC[N@@H+](CCN)Cc1cccc(-c2ccccc2)c1C ZINC001236144008 819344995 /nfs/dbraw/zinc/34/49/95/819344995.db2.gz ONLKJZOWLVVZEC-UHFFFAOYSA-N 1 3 268.404 3.443 20 0 CGADHO Cc1cccc2c(C[N@@H+](C)[C@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236210558 819372289 /nfs/dbraw/zinc/37/22/89/819372289.db2.gz DKVJJRXFSCVGDW-CVEARBPZSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2c(C[N@H+](C)[C@H]3CCCC[C@H]3N)c[nH]c21 ZINC001236210558 819372296 /nfs/dbraw/zinc/37/22/96/819372296.db2.gz DKVJJRXFSCVGDW-CVEARBPZSA-N 1 3 271.408 3.178 20 0 CGADHO COc1cc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2N)c(C)c1C ZINC001236217376 819382363 /nfs/dbraw/zinc/38/23/63/819382363.db2.gz OQPZZYUGEBVWBN-SJORKVTESA-N 1 3 290.451 3.322 20 0 CGADHO COc1cc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2N)c(C)c1C ZINC001236217376 819382370 /nfs/dbraw/zinc/38/23/70/819382370.db2.gz OQPZZYUGEBVWBN-SJORKVTESA-N 1 3 290.451 3.322 20 0 CGADHO C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@H]1N ZINC001236218500 819384484 /nfs/dbraw/zinc/38/44/84/819384484.db2.gz SINUQJPPLJSUJY-IAGOWNOFSA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCCC[C@H]1N ZINC001236218500 819384489 /nfs/dbraw/zinc/38/44/89/819384489.db2.gz SINUQJPPLJSUJY-IAGOWNOFSA-N 1 3 258.409 3.266 20 0 CGADHO CCc1cccc2c(C[N@H+](C)C3(C)CCNCC3)c[nH]c21 ZINC001236225715 819391066 /nfs/dbraw/zinc/39/10/66/819391066.db2.gz DFDVAIMRKOPNRC-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO CCc1cccc2c(C[N@@H+](C)C3(C)CCNCC3)c[nH]c21 ZINC001236225715 819391071 /nfs/dbraw/zinc/39/10/71/819391071.db2.gz DFDVAIMRKOPNRC-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO CCc1cccc2c(CN(C)C3(C)CC[NH2+]CC3)c[nH]c21 ZINC001236225715 819391076 /nfs/dbraw/zinc/39/10/76/819391076.db2.gz DFDVAIMRKOPNRC-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO Cc1cc(F)cc(CN(C)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236225076 819391565 /nfs/dbraw/zinc/39/15/65/819391565.db2.gz ZLSTZZGCEGOXFM-HDJSIYSDSA-N 1 3 284.806 3.489 20 0 CGADHO Cc1ccc2c(c1)CCN(Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001236604911 819550960 /nfs/dbraw/zinc/55/09/60/819550960.db2.gz JLGSOKIYMUMYDR-UHFFFAOYSA-N 1 3 278.399 3.157 20 0 CGADHO CC(C)(C)CC[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001236646195 819560624 /nfs/dbraw/zinc/56/06/24/819560624.db2.gz FBNQUENDLULDJR-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)CC[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001236646195 819560631 /nfs/dbraw/zinc/56/06/31/819560631.db2.gz FBNQUENDLULDJR-HNNXBMFYSA-N 1 3 252.446 3.419 20 0 CGADHO CCCN(Cc1ccc(OCC)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236833426 819613966 /nfs/dbraw/zinc/61/39/66/819613966.db2.gz BCTCUJUULWHTFP-INIZCTEOSA-N 1 3 290.451 3.215 20 0 CGADHO CCc1cccc2c(CN3CCC[C@@](C)(C[NH3+])C3)c[nH]c21 ZINC001237057473 819657468 /nfs/dbraw/zinc/65/74/68/819657468.db2.gz NENRTUJTANLRMK-SFHVURJKSA-N 1 3 285.435 3.291 20 0 CGADHO Fc1ccc(C[C@@H]2CCCN2CC[C@@H]2CCCC[NH2+]2)cc1 ZINC001237246766 819710047 /nfs/dbraw/zinc/71/00/47/819710047.db2.gz CXVSCJATXWHEPU-ROUUACIJSA-N 1 3 290.426 3.365 20 0 CGADHO Cc1ccc(CN2CCC3(CC[C@H]3[NH3+])CC2)c(Cl)c1 ZINC001237355484 819734244 /nfs/dbraw/zinc/73/42/44/819734244.db2.gz CBOYWAJCBCIPKG-OAHLLOKOSA-N 1 3 278.827 3.352 20 0 CGADHO CSc1cc(C)cc(C[N@H+](C)CCCN(C)C)c1 ZINC001238674605 820077742 /nfs/dbraw/zinc/07/77/42/820077742.db2.gz IOXWSQWOCIJXDA-UHFFFAOYSA-N 1 3 266.454 3.100 20 0 CGADHO CSc1cc(C)cc(C[N@@H+](C)CCCN(C)C)c1 ZINC001238674605 820077754 /nfs/dbraw/zinc/07/77/54/820077754.db2.gz IOXWSQWOCIJXDA-UHFFFAOYSA-N 1 3 266.454 3.100 20 0 CGADHO C[C@H]([NH3+])c1ccccc1-c1cccc(N2CCN(C)CC2)c1 ZINC001243671071 823481522 /nfs/dbraw/zinc/48/15/22/823481522.db2.gz UKJHLLMZFFOZNQ-HNNXBMFYSA-N 1 3 295.430 3.125 20 0 CGADHO CCN(CC)Cc1cc(C2=CCC[NH2+]C2)ccc1F ZINC001240671720 821232748 /nfs/dbraw/zinc/23/27/48/821232748.db2.gz VYYFWWZMMDNFIR-UHFFFAOYSA-N 1 3 262.372 3.044 20 0 CGADHO CN1CC=C(c2ccccc2C[NH+]2CCCCC2)CC1 ZINC001241320167 821730538 /nfs/dbraw/zinc/73/05/38/821730538.db2.gz VJUTWJBRHBEFKZ-UHFFFAOYSA-N 1 3 270.420 3.391 20 0 CGADHO c1cc(C[NH+]2CCCC2)cc(-c2nccc3c2CCN3)c1 ZINC001242117817 822884220 /nfs/dbraw/zinc/88/42/20/822884220.db2.gz NCNVPEZDUUCQRO-UHFFFAOYSA-N 1 3 279.387 3.312 20 0 CGADHO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC001350637017 936997654 /nfs/dbraw/zinc/99/76/54/936997654.db2.gz VVEYHRKAHJKACR-SOLBZPMBSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC001350637017 936997656 /nfs/dbraw/zinc/99/76/56/936997656.db2.gz VVEYHRKAHJKACR-SOLBZPMBSA-N 1 3 272.436 3.254 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cccc(F)c3F)C[C@H]2C1 ZINC001355372758 937138677 /nfs/dbraw/zinc/13/86/77/937138677.db2.gz FUPUARFCTFRIOD-NWANDNLSSA-N 1 3 294.389 3.127 20 0 CGADHO CCC(CC)(C[NH2+][C@H]1CCCC[C@H]1CN)SC ZINC000232950943 927621809 /nfs/dbraw/zinc/62/18/09/927621809.db2.gz ZPZYWFBHZOFOCS-STQMWFEESA-N 1 3 258.475 3.015 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000397241827 928803788 /nfs/dbraw/zinc/80/37/88/928803788.db2.gz MEXCFZDPDFDTHE-IIAWOOMASA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1CN([C@@H]2C=CCCCCC2)CCN1c1cc[nH+]cc1 ZINC001460713312 937541842 /nfs/dbraw/zinc/54/18/42/937541842.db2.gz ZCXBGNPZARWBRI-IAGOWNOFSA-N 1 3 285.435 3.481 20 0 CGADHO C(C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)CN1CCCC1 ZINC000035015732 931950857 /nfs/dbraw/zinc/95/08/57/931950857.db2.gz ISOYSJCLUIEMAA-GVDBMIGSSA-N 1 3 264.457 3.421 20 0 CGADHO C[C@@H]1CCN(Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000163474507 932002885 /nfs/dbraw/zinc/00/28/85/932002885.db2.gz AECGHRUSPWOPGX-KDOFPFPSSA-N 1 3 268.404 3.257 20 0 CGADHO CSC(C)(C)CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001461920292 937605850 /nfs/dbraw/zinc/60/58/50/937605850.db2.gz KBKVBRZLJDVWSR-AWEZNQCLSA-N 1 3 272.502 3.324 20 0 CGADHO CSC(C)(C)CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC001461920292 937605852 /nfs/dbraw/zinc/60/58/52/937605852.db2.gz KBKVBRZLJDVWSR-AWEZNQCLSA-N 1 3 272.502 3.324 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC[C@H](C)N(C)C ZINC001462464389 937642809 /nfs/dbraw/zinc/64/28/09/937642809.db2.gz CGXZNFICOIFSLH-KGLIPLIRSA-N 1 3 274.408 3.294 20 0 CGADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1[C@@H]1C=CCCCCC1 ZINC001308089163 933046699 /nfs/dbraw/zinc/04/66/99/933046699.db2.gz KSOURKATZGYUEX-FUHWJXTLSA-N 1 3 285.435 3.481 20 0 CGADHO C[N@@H+]1C[C@@]23CN(CCc4cccs4)C[C@]2(C1)CCCC3 ZINC001308170853 933064815 /nfs/dbraw/zinc/06/48/15/933064815.db2.gz OGAMUUNBRLBGAV-CALCHBBNSA-N 1 3 290.476 3.098 20 0 CGADHO C[N@H+]1C[C@@]23CN(CCc4cccs4)C[C@]2(C1)CCCC3 ZINC001308170853 933064820 /nfs/dbraw/zinc/06/48/20/933064820.db2.gz OGAMUUNBRLBGAV-CALCHBBNSA-N 1 3 290.476 3.098 20 0 CGADHO CSC(C)(C)CC[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001308682737 933157917 /nfs/dbraw/zinc/15/79/17/933157917.db2.gz CPALQPKIHIGDPJ-CQSZACIVSA-N 1 3 272.502 3.372 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)N(C)C ZINC001308882609 933196414 /nfs/dbraw/zinc/19/64/14/933196414.db2.gz LTTXYIIQWAFTGW-KBAYOESNSA-N 1 3 274.452 3.328 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3(C)CC3)CC2)C1 ZINC001319974544 933968783 /nfs/dbraw/zinc/96/87/83/933968783.db2.gz RVHKWEFBBMSKTK-UKRRQHHQSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3(C)CC3)CC2)C1 ZINC001319974544 933968791 /nfs/dbraw/zinc/96/87/91/933968791.db2.gz RVHKWEFBBMSKTK-UKRRQHHQSA-N 1 3 250.430 3.172 20 0 CGADHO CN(C)c1ccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC001325744327 934926480 /nfs/dbraw/zinc/92/64/80/934926480.db2.gz UZKZOAXNESUFAF-RBUKOAKNSA-N 1 3 295.430 3.030 20 0 CGADHO FC1(F)[C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@@H]21 ZINC001330205384 935276511 /nfs/dbraw/zinc/27/65/11/935276511.db2.gz BQSYJZMIYAAUHR-MKZZRHPPSA-N 1 3 298.421 3.417 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C(F)F)c(F)c1 ZINC001334774826 936112645 /nfs/dbraw/zinc/11/26/45/936112645.db2.gz PJGDNOZUUKRQHO-SMDDNHRTSA-N 1 3 286.341 3.370 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC001474320782 937851365 /nfs/dbraw/zinc/85/13/65/937851365.db2.gz QFLVZTNLPZYEJR-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC001474320782 937851366 /nfs/dbraw/zinc/85/13/66/937851366.db2.gz QFLVZTNLPZYEJR-RBUKOAKNSA-N 1 3 286.463 3.262 20 0 CGADHO C([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@H]1CCCN(CC2CC2)C1 ZINC001474644865 937872356 /nfs/dbraw/zinc/87/23/56/937872356.db2.gz DMTLPOWBTLVBIA-VSZNYVQBSA-N 1 3 276.468 3.277 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CCN1 ZINC001549042191 938154691 /nfs/dbraw/zinc/15/46/91/938154691.db2.gz XBLBDGWJVASZCX-VDHUWJSZSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC001549545569 938157814 /nfs/dbraw/zinc/15/78/14/938157814.db2.gz GMOYXQREXOEIBO-ARFHVFGLSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(c2cccc3[nH]ccc32)CC1 ZINC001550352814 938166152 /nfs/dbraw/zinc/16/61/52/938166152.db2.gz GETWVKARASSKJT-ZBFHGGJFSA-N 1 3 297.446 3.203 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1[C@@H](c2ccccc2)C1(F)F ZINC001550944029 938172749 /nfs/dbraw/zinc/17/27/49/938172749.db2.gz VEIZCMLTRYHJGM-SYAUCNOPSA-N 1 3 294.389 3.013 20 0 CGADHO CC1(N2CCOCC2)CCC([NH2+]CC2CCCCC2)CC1 ZINC001551237590 938178410 /nfs/dbraw/zinc/17/84/10/938178410.db2.gz YCADJMDHYMRPCX-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001560068298 938243235 /nfs/dbraw/zinc/24/32/35/938243235.db2.gz ANPYPANTNLNZDF-MRXNPFEDSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[N@H+]1CCC[C@@H]1CCN1CCC(C)CC1 ZINC001560068298 938243236 /nfs/dbraw/zinc/24/32/36/938243236.db2.gz ANPYPANTNLNZDF-MRXNPFEDSA-N 1 3 252.446 3.229 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001561053105 938292114 /nfs/dbraw/zinc/29/21/14/938292114.db2.gz SHYTXASVHDSVPX-WJFTUGDTSA-N 1 3 286.463 3.328 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC001561055269 938292176 /nfs/dbraw/zinc/29/21/76/938292176.db2.gz KVCNHGXPQNNXFL-GJZGRUSLSA-N 1 3 280.431 3.467 20 0 CGADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)Cc1ccccc1F ZINC001561055269 938292178 /nfs/dbraw/zinc/29/21/78/938292178.db2.gz KVCNHGXPQNNXFL-GJZGRUSLSA-N 1 3 280.431 3.467 20 0 CGADHO C[NH2+]Cc1cccc(Nc2ccc(CN(C)C3CC3)cn2)c1 ZINC001165140154 958840349 /nfs/dbraw/zinc/84/03/49/958840349.db2.gz IBKRMJPDFOBMJF-UHFFFAOYSA-N 1 3 296.418 3.139 20 0 CGADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCSc1cccc(Cl)c1 ZINC001576380223 960479025 /nfs/dbraw/zinc/47/90/25/960479025.db2.gz KLFWBRRNZWIIEV-STQMWFEESA-N 1 3 284.856 3.148 20 0 CGADHO CC(C)(CN)C[NH2+]C1CCC(c2ccc(F)cc2)CC1 ZINC001575315506 962364113 /nfs/dbraw/zinc/36/41/13/962364113.db2.gz QPZWDYXFIXMTJY-UHFFFAOYSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)[C@H](CN)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001575422256 962375731 /nfs/dbraw/zinc/37/57/31/962375731.db2.gz GPONVFWBDXBARC-FVQBIDKESA-N 1 3 278.415 3.234 20 0 CGADHO CC(C)[C@H](CN)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001575422256 962375749 /nfs/dbraw/zinc/37/57/49/962375749.db2.gz GPONVFWBDXBARC-FVQBIDKESA-N 1 3 278.415 3.234 20 0 CGADHO CC(C)[C@H]1[N@H+](C[C@@]2(C)CCCNC2)CC12CCCC2 ZINC001575521896 962388644 /nfs/dbraw/zinc/38/86/44/962388644.db2.gz VSNHBRIDVMVNQO-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@H]1[N@@H+](C[C@@]2(C)CCCNC2)CC12CCCC2 ZINC001575521896 962388659 /nfs/dbraw/zinc/38/86/59/962388659.db2.gz VSNHBRIDVMVNQO-CVEARBPZSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001576309724 962445349 /nfs/dbraw/zinc/44/53/49/962445349.db2.gz COKKCWFZHKUVNM-PVAVHDDUSA-N 1 3 258.409 3.199 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001576309724 962445354 /nfs/dbraw/zinc/44/53/54/962445354.db2.gz COKKCWFZHKUVNM-PVAVHDDUSA-N 1 3 258.409 3.199 20 0 CGADHO CCC[C@H](C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001577341196 962529470 /nfs/dbraw/zinc/52/94/70/962529470.db2.gz UTKUSRHDOAEAEQ-JYJNAYRXSA-N 1 3 252.446 3.264 20 0 CGADHO CCC[C@H](C)CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001577341196 962529483 /nfs/dbraw/zinc/52/94/83/962529483.db2.gz UTKUSRHDOAEAEQ-JYJNAYRXSA-N 1 3 252.446 3.264 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)c1ccccc1 ZINC001577358407 962530064 /nfs/dbraw/zinc/53/00/64/962530064.db2.gz YDXNHVGXHLIZMG-WCXIOVBPSA-N 1 3 258.409 3.053 20 0 CGADHO CCOc1ccc(CN2CCC3(CCC[C@H]3C[NH3+])CC2)o1 ZINC001578179659 962573665 /nfs/dbraw/zinc/57/36/65/962573665.db2.gz VXVFGNBVIXYDRT-AWEZNQCLSA-N 1 3 292.423 3.019 20 0 CGADHO Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCCCN2)c1 ZINC001579759814 962667282 /nfs/dbraw/zinc/66/72/82/962667282.db2.gz YQDUFGWSGGSAHN-NVXWUHKLSA-N 1 3 260.425 3.048 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2CC(C)(C)CN)c1C ZINC001579757264 962669810 /nfs/dbraw/zinc/66/98/10/962669810.db2.gz VGQGOQIGTKLDAQ-INIZCTEOSA-N 1 3 260.425 3.425 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2CC(C)(C)CN)c1C ZINC001579757264 962669819 /nfs/dbraw/zinc/66/98/19/962669819.db2.gz VGQGOQIGTKLDAQ-INIZCTEOSA-N 1 3 260.425 3.425 20 0 CGADHO [NH3+][C@H]1CC12CC(NCc1cc(Cl)cc(Cl)c1F)C2 ZINC001580165898 962697486 /nfs/dbraw/zinc/69/74/86/962697486.db2.gz NOSFUDRZPQBESQ-QDYJBQRPSA-N 1 3 289.181 3.102 20 0 CGADHO CC[N@H+](CCCNCC[C@@H]1CCOC1)C1CCCCC1 ZINC000651909959 398304536 /nfs/dbraw/zinc/30/45/36/398304536.db2.gz BMLPFTCDLNJOMD-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO CC[N@@H+](CCCNCC[C@@H]1CCOC1)C1CCCCC1 ZINC000651909959 398304538 /nfs/dbraw/zinc/30/45/38/398304538.db2.gz BMLPFTCDLNJOMD-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CCOC[C@H]1C)C1CCCCC1 ZINC000651910531 398305405 /nfs/dbraw/zinc/30/54/05/398305405.db2.gz XPWDJOJXRBYMIW-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CCOC[C@H]1C)C1CCCCC1 ZINC000651910531 398305406 /nfs/dbraw/zinc/30/54/06/398305406.db2.gz XPWDJOJXRBYMIW-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCN ZINC000437796985 529540747 /nfs/dbraw/zinc/54/07/47/529540747.db2.gz IJWHHQNHPBTARM-LBPRGKRZSA-N 1 3 275.223 3.253 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC[NH3+] ZINC000437796985 529540748 /nfs/dbraw/zinc/54/07/48/529540748.db2.gz IJWHHQNHPBTARM-LBPRGKRZSA-N 1 3 275.223 3.253 20 0 CGADHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc(F)cc1 ZINC000423289394 529590850 /nfs/dbraw/zinc/59/08/50/529590850.db2.gz XDHIVRFRJQUYQV-AWEZNQCLSA-N 1 3 252.377 3.384 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@H]1C[C@@H]1C ZINC000414109470 529613529 /nfs/dbraw/zinc/61/35/29/529613529.db2.gz HHNMYGJKCLLKCA-VGWMRTNUSA-N 1 3 252.446 3.131 20 0 CGADHO CCCOc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623360872 349789140 /nfs/dbraw/zinc/78/91/40/349789140.db2.gz BZCKXFHDNCAIPK-MRXNPFEDSA-N 1 3 290.451 3.438 20 0 CGADHO CCOCc1ccccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623347673 349784824 /nfs/dbraw/zinc/78/48/24/349784824.db2.gz IBIPXTKWBWJZRE-KRWDZBQOSA-N 1 3 290.451 3.186 20 0 CGADHO CC[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1OC ZINC000423421889 529662694 /nfs/dbraw/zinc/66/26/94/529662694.db2.gz BFBIQKFSCNNVKF-YESZJQIVSA-N 1 3 288.435 3.124 20 0 CGADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000423275872 529669978 /nfs/dbraw/zinc/66/99/78/529669978.db2.gz MEEXHFZHGRABNK-BPUTZDHNSA-N 1 3 264.388 3.384 20 0 CGADHO C[NH+](C)CCCCNCc1c(F)ccc(F)c1Cl ZINC000623383212 349794631 /nfs/dbraw/zinc/79/46/31/349794631.db2.gz JHCPEQFKDPHNIY-UHFFFAOYSA-N 1 3 276.758 3.050 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2cc3ccccc3o2)CC1(C)C ZINC000623427712 349805789 /nfs/dbraw/zinc/80/57/89/349805789.db2.gz KADHYKAZQGWUPG-HNNXBMFYSA-N 1 3 286.419 3.438 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2cc3ccccc3o2)CC1(C)C ZINC000623427712 349805793 /nfs/dbraw/zinc/80/57/93/349805793.db2.gz KADHYKAZQGWUPG-HNNXBMFYSA-N 1 3 286.419 3.438 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000351355530 219093894 /nfs/dbraw/zinc/09/38/94/219093894.db2.gz YJAWTHOCFPOMLA-KRWDZBQOSA-N 1 3 260.425 3.338 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000351355530 219093896 /nfs/dbraw/zinc/09/38/96/219093896.db2.gz YJAWTHOCFPOMLA-KRWDZBQOSA-N 1 3 260.425 3.338 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CNCc2c(F)ccc(F)c2Cl)C1 ZINC000623560517 349834820 /nfs/dbraw/zinc/83/48/20/349834820.db2.gz IUPWUQFRQRVBRB-AOOOYVTPSA-N 1 3 288.769 3.048 20 0 CGADHO CCC1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000623656610 349858636 /nfs/dbraw/zinc/85/86/36/349858636.db2.gz YKHCTXWGELTTBU-HWOWSKLDSA-N 1 3 252.446 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000623657473 349859573 /nfs/dbraw/zinc/85/95/73/349859573.db2.gz RLPAXQNLVCTABW-HNNXBMFYSA-N 1 3 272.392 3.254 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000623657785 349859626 /nfs/dbraw/zinc/85/96/26/349859626.db2.gz YZDFJGWRJPNOGA-ZDTYVGOBSA-N 1 3 294.389 3.300 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657740 349859667 /nfs/dbraw/zinc/85/96/67/349859667.db2.gz XUCWGMHBUARBKX-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(C)c1 ZINC000623655051 349856655 /nfs/dbraw/zinc/85/66/55/349856655.db2.gz NCHZZEXVRLKRLP-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@H](CC(C)C)c1cccs1 ZINC000423271631 529986331 /nfs/dbraw/zinc/98/63/31/529986331.db2.gz JCCBJSDXWNBOKO-CHWSQXEVSA-N 1 3 254.443 3.280 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](CC1CCC1)c1ccccc1 ZINC000423285284 529999837 /nfs/dbraw/zinc/99/98/37/529999837.db2.gz ZHSFUGYKVQSNGP-WMLDXEAASA-N 1 3 260.425 3.363 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000355040620 530051195 /nfs/dbraw/zinc/05/11/95/530051195.db2.gz PUOTXDSHJKLVQU-ROUUACIJSA-N 1 3 284.447 3.350 20 0 CGADHO CN1CCC2(CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000355040620 530051196 /nfs/dbraw/zinc/05/11/96/530051196.db2.gz PUOTXDSHJKLVQU-ROUUACIJSA-N 1 3 284.447 3.350 20 0 CGADHO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1 ZINC000075061540 345493221 /nfs/dbraw/zinc/49/32/21/345493221.db2.gz SHRYWDFJHXCSJW-CABCVRRESA-N 1 3 281.403 3.216 20 0 CGADHO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000075061540 345493224 /nfs/dbraw/zinc/49/32/24/345493224.db2.gz SHRYWDFJHXCSJW-CABCVRRESA-N 1 3 281.403 3.216 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)CN1CCCCC1 ZINC000157357889 232232732 /nfs/dbraw/zinc/23/27/32/232232732.db2.gz DZYIUHGUZRQMHH-CVEARBPZSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@H](CN[C@@H](C)Cc1ccccc1F)C[NH+]1CCCCC1 ZINC000157357889 232232734 /nfs/dbraw/zinc/23/27/34/232232734.db2.gz DZYIUHGUZRQMHH-CVEARBPZSA-N 1 3 292.442 3.468 20 0 CGADHO Cc1cc(C(C)(C)C)cc(C)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576494 345934534 /nfs/dbraw/zinc/93/45/34/345934534.db2.gz JDGGYZRKRNGNBQ-IYBDPMFKSA-N 1 3 286.463 3.252 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000221219888 346297201 /nfs/dbraw/zinc/29/72/01/346297201.db2.gz SDNAONBFPIDCKV-JOYOIKCWSA-N 1 3 260.303 3.093 20 0 CGADHO CCOC1CC(C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C1 ZINC000351722127 219187209 /nfs/dbraw/zinc/18/72/09/219187209.db2.gz VBKNOUMAEPDPLN-CTMQZQKCSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C)CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000313300144 346479818 /nfs/dbraw/zinc/47/98/18/346479818.db2.gz NXVSLCSXIZCTAV-UHFFFAOYSA-N 1 3 275.440 3.466 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000339071835 346501087 /nfs/dbraw/zinc/50/10/87/346501087.db2.gz SGBBJCCPAGPJBB-CAOSSQGBSA-N 1 3 282.497 3.267 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624120056 349977117 /nfs/dbraw/zinc/97/71/17/349977117.db2.gz QOSUJYPHSOQHTB-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccccc1N(C)C ZINC000624122195 349979699 /nfs/dbraw/zinc/97/96/99/349979699.db2.gz MAZRJTKKQDWAJF-HZPDHXFCSA-N 1 3 289.467 3.135 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)[C@@H](C)OC ZINC000128695146 187385550 /nfs/dbraw/zinc/38/55/50/187385550.db2.gz AWKXIFHTRTVBKZ-HUUCEWRRSA-N 1 3 278.440 3.041 20 0 CGADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)ccc1F ZINC000624121784 349980757 /nfs/dbraw/zinc/98/07/57/349980757.db2.gz CXANLEBDAAXENN-UONOGXRCSA-N 1 3 294.414 3.217 20 0 CGADHO [NH3+]CC1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000339411683 215154122 /nfs/dbraw/zinc/15/41/22/215154122.db2.gz CKUZNAYDTKHVLN-UHFFFAOYSA-N 1 3 284.806 3.082 20 0 CGADHO Cc1cc(C)c(CN(C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000607358232 348235758 /nfs/dbraw/zinc/23/57/58/348235758.db2.gz WAJFYENFUJGHEP-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO Cc1cc(C)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000607358232 348235763 /nfs/dbraw/zinc/23/57/63/348235763.db2.gz WAJFYENFUJGHEP-KRWDZBQOSA-N 1 3 274.452 3.385 20 0 CGADHO C/C(=C/c1ccccc1)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000608061543 348280299 /nfs/dbraw/zinc/28/02/99/348280299.db2.gz JZJHYEHURXWCSJ-DKZLNJBMSA-N 1 3 258.409 3.162 20 0 CGADHO C/C(=C/c1ccccc1)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000608061543 348280303 /nfs/dbraw/zinc/28/03/03/348280303.db2.gz JZJHYEHURXWCSJ-DKZLNJBMSA-N 1 3 258.409 3.162 20 0 CGADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000128904640 187397735 /nfs/dbraw/zinc/39/77/35/187397735.db2.gz BMJHJKOOEVZPQF-ZDUSSCGKSA-N 1 3 278.827 3.222 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000624198945 349999624 /nfs/dbraw/zinc/99/96/24/349999624.db2.gz CKMVRXFFKDTOHK-HALDLXJZSA-N 1 3 264.457 3.275 20 0 CGADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(C)CC3)CC2)C1 ZINC000358176341 233071888 /nfs/dbraw/zinc/07/18/88/233071888.db2.gz OFKXPUKHFSCNKE-HOCLYGCPSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](c1cccc(F)c1)N1CCC(C[NH+](C)C)CC1 ZINC000354421200 290249331 /nfs/dbraw/zinc/24/93/31/290249331.db2.gz CCBLETHGJPSDQR-CYBMUJFWSA-N 1 3 264.388 3.160 20 0 CGADHO CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000628170278 350421117 /nfs/dbraw/zinc/42/11/17/350421117.db2.gz VSGJKWJYXFYXJS-SJORKVTESA-N 1 3 296.499 3.245 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000628425724 350537051 /nfs/dbraw/zinc/53/70/51/350537051.db2.gz SYQRZRIAISTLBJ-IPJUCJBFSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CC[C@H](C)NC1)c1ccc(OC)cc1 ZINC000629540968 350707780 /nfs/dbraw/zinc/70/77/80/350707780.db2.gz ZEOPHYKWGPXWME-LXZKKBNFSA-N 1 3 276.424 3.267 20 0 CGADHO [NH3+]C[C@H]1CCC[C@H]1N[C@H]1CCCc2ccc(Cl)cc21 ZINC000629549089 350711150 /nfs/dbraw/zinc/71/11/50/350711150.db2.gz QCNGDPOLYXBSSL-WQVCFCJDSA-N 1 3 278.827 3.434 20 0 CGADHO CCc1nc(C(C)C)ccc1CN1CCC(CC[NH3+])CC1 ZINC000629550441 350711339 /nfs/dbraw/zinc/71/13/39/350711339.db2.gz YPWKGPLTSGVGOM-UHFFFAOYSA-N 1 3 289.467 3.328 20 0 CGADHO C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)C1(F)F ZINC000629554391 350711695 /nfs/dbraw/zinc/71/16/95/350711695.db2.gz ZUVDSFFCCAEFSR-CHWSQXEVSA-N 1 3 294.389 3.055 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC23CC3)c2ccccc21 ZINC000629554539 350712110 /nfs/dbraw/zinc/71/21/10/350712110.db2.gz KNJLKFQTWVPZCI-MAZHCROVSA-N 1 3 256.393 3.301 20 0 CGADHO Cc1nc(C(C)C)ccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000629518408 350700672 /nfs/dbraw/zinc/70/06/72/350700672.db2.gz IWZYSOJWYUERPZ-ULQDDVLXSA-N 1 3 287.451 3.073 20 0 CGADHO C[C@@H]([NH3+])c1cccc(-c2cccc(OCCN(C)C)c2)c1 ZINC000629700250 350743541 /nfs/dbraw/zinc/74/35/41/350743541.db2.gz HZAONSHTKAJDKK-CQSZACIVSA-N 1 3 284.403 3.314 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(CC(F)(F)F)cc1)CN(C)C ZINC000631140352 350966766 /nfs/dbraw/zinc/96/67/66/350966766.db2.gz PJLWPFVFJVYFFG-LBPRGKRZSA-N 1 3 288.357 3.079 20 0 CGADHO Cc1scc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1C ZINC000631206304 350991555 /nfs/dbraw/zinc/99/15/55/350991555.db2.gz KFOCXDHEIALSHA-CQSZACIVSA-N 1 3 266.454 3.327 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)F ZINC000631661040 351108575 /nfs/dbraw/zinc/10/85/75/351108575.db2.gz ZVVHANCXCSDUPA-ZBFHGGJFSA-N 1 3 278.415 3.235 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)F ZINC000631661040 351108578 /nfs/dbraw/zinc/10/85/78/351108578.db2.gz ZVVHANCXCSDUPA-ZBFHGGJFSA-N 1 3 278.415 3.235 20 0 CGADHO CCC[C@@H](NCC1=CC[N@H+](C)CC1)c1cc(C)ccn1 ZINC000631608303 351089196 /nfs/dbraw/zinc/08/91/96/351089196.db2.gz PXPVQROOIRUPAH-MRXNPFEDSA-N 1 3 273.424 3.083 20 0 CGADHO CCC[C@@H](NCC1=CC[N@@H+](C)CC1)c1cc(C)ccn1 ZINC000631608303 351089199 /nfs/dbraw/zinc/08/91/99/351089199.db2.gz PXPVQROOIRUPAH-MRXNPFEDSA-N 1 3 273.424 3.083 20 0 CGADHO [NH3+]C[C@@H](NCc1cccc2ncccc12)C1CCCCC1 ZINC000634688369 351573934 /nfs/dbraw/zinc/57/39/34/351573934.db2.gz QKWCHQNBCDULSB-GOSISDBHSA-N 1 3 283.419 3.232 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000635003987 351621787 /nfs/dbraw/zinc/62/17/87/351621787.db2.gz GIIDGKRPDPMUTQ-BPUTZDHNSA-N 1 3 290.455 3.138 20 0 CGADHO C[C@@H](Cc1cccs1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008471 351626283 /nfs/dbraw/zinc/62/62/83/351626283.db2.gz DREUCPAOZNDCJD-STQMWFEESA-N 1 3 266.454 3.047 20 0 CGADHO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635008471 351626284 /nfs/dbraw/zinc/62/62/84/351626284.db2.gz DREUCPAOZNDCJD-STQMWFEESA-N 1 3 266.454 3.047 20 0 CGADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)ccc1F ZINC000635009349 351627094 /nfs/dbraw/zinc/62/70/94/351627094.db2.gz YBBLLLDIRUKEMM-GVXVVHGQSA-N 1 3 268.351 3.133 20 0 CGADHO Cc1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635009637 351627221 /nfs/dbraw/zinc/62/72/21/351627221.db2.gz JRHBNLMALJYZHT-HNNXBMFYSA-N 1 3 280.415 3.492 20 0 CGADHO c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c2c(c1)CNCC2 ZINC000635009600 351627696 /nfs/dbraw/zinc/62/76/96/351627696.db2.gz ILPQDLXZUGJJEQ-QZTJIDSGSA-N 1 3 270.420 3.001 20 0 CGADHO FC(F)C1CCC([NH2+]Cc2cccc3c2CCNC3)CC1 ZINC000635011865 351629553 /nfs/dbraw/zinc/62/95/53/351629553.db2.gz RGMVCJQNZSZKAV-UHFFFAOYSA-N 1 3 294.389 3.246 20 0 CGADHO CCC[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC000635012529 351630517 /nfs/dbraw/zinc/63/05/17/351630517.db2.gz VPRJOPMMTXBKNC-LJQANCHMSA-N 1 3 295.430 3.358 20 0 CGADHO C[C@@H](CCCC(F)(F)F)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905548 295850673 /nfs/dbraw/zinc/85/06/73/295850673.db2.gz LLOKXRLRDGWRDA-NWDGAFQWSA-N 1 3 266.351 3.087 20 0 CGADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000152397449 188015673 /nfs/dbraw/zinc/01/56/73/188015673.db2.gz NIIZQDZXRJGAIB-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000152397449 188015674 /nfs/dbraw/zinc/01/56/74/188015674.db2.gz NIIZQDZXRJGAIB-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@H](NCc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152947959 188054894 /nfs/dbraw/zinc/05/48/94/188054894.db2.gz FBKNQHOSIDMVMG-INIZCTEOSA-N 1 3 298.430 3.478 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)s1 ZINC000375887799 234778248 /nfs/dbraw/zinc/77/82/48/234778248.db2.gz JNEYITXWCRDUKC-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000375887799 234778250 /nfs/dbraw/zinc/77/82/50/234778250.db2.gz JNEYITXWCRDUKC-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000375887799 234778254 /nfs/dbraw/zinc/77/82/54/234778254.db2.gz JNEYITXWCRDUKC-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]CC2=CCN(C)CC2)c1 ZINC000271825677 191351257 /nfs/dbraw/zinc/35/12/57/191351257.db2.gz DBXJLBKWVZKJDF-INIZCTEOSA-N 1 3 272.436 3.168 20 0 CGADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000271868181 191379706 /nfs/dbraw/zinc/37/97/06/191379706.db2.gz LYTKJWIKGYERBP-MOPGFXCFSA-N 1 3 284.447 3.249 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)oc1C ZINC000414192583 235360078 /nfs/dbraw/zinc/36/00/78/235360078.db2.gz SLWCDXLQRCTXHA-UKRRQHHQSA-N 1 3 264.413 3.279 20 0 CGADHO Cc1cc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)oc1C ZINC000414192583 235360081 /nfs/dbraw/zinc/36/00/81/235360081.db2.gz SLWCDXLQRCTXHA-UKRRQHHQSA-N 1 3 264.413 3.279 20 0 CGADHO C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)CN(C)C ZINC000417353114 235624953 /nfs/dbraw/zinc/62/49/53/235624953.db2.gz WOELTDLUHLUPKZ-YIYPIFLZSA-N 1 3 266.454 3.027 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000124823868 138378082 /nfs/dbraw/zinc/37/80/82/138378082.db2.gz SXWMYIHWSWZMPX-MRXNPFEDSA-N 1 3 258.409 3.135 20 0 CGADHO CC(C)[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccccc1 ZINC000124750213 138377537 /nfs/dbraw/zinc/37/75/37/138377537.db2.gz HMDGAJBZBPYTOS-IRXDYDNUSA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000124750213 138377538 /nfs/dbraw/zinc/37/75/38/138377538.db2.gz HMDGAJBZBPYTOS-IRXDYDNUSA-N 1 3 260.425 3.458 20 0 CGADHO CC(C)[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000124750213 138377539 /nfs/dbraw/zinc/37/75/39/138377539.db2.gz HMDGAJBZBPYTOS-IRXDYDNUSA-N 1 3 260.425 3.458 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+](Cc1ccccc1)C1CC1 ZINC000124823868 138378081 /nfs/dbraw/zinc/37/80/81/138378081.db2.gz SXWMYIHWSWZMPX-MRXNPFEDSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccn(C)c2)CC1 ZINC000125615646 138383755 /nfs/dbraw/zinc/38/37/55/138383755.db2.gz RZOZITTXNVPYPX-INIZCTEOSA-N 1 3 297.446 3.340 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(-c3ccccn3)c2)CC[N@@H+]1C ZINC000128381093 138393412 /nfs/dbraw/zinc/39/34/12/138393412.db2.gz IBHCHTPZXUEHDZ-QAPCUYQASA-N 1 3 295.430 3.321 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc(-c3ccccn3)c2)CC[N@H+]1C ZINC000128381093 138393414 /nfs/dbraw/zinc/39/34/14/138393414.db2.gz IBHCHTPZXUEHDZ-QAPCUYQASA-N 1 3 295.430 3.321 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000422737561 235911737 /nfs/dbraw/zinc/91/17/37/235911737.db2.gz ZUWIVUUZGJSJOO-OLZOCXBDSA-N 1 3 263.429 3.324 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2C[NH2+]C2CCNCC2)cc1 ZINC000423155808 235983187 /nfs/dbraw/zinc/98/31/87/235983187.db2.gz LTDJTLRBDWZPBC-FUHWJXTLSA-N 1 3 272.436 3.302 20 0 CGADHO COc1cccc(C[C@H](NCC[C@H](C)[NH3+])c2ccccc2)c1 ZINC000423225138 236001032 /nfs/dbraw/zinc/00/10/32/236001032.db2.gz LILFSESDEONHQX-KXBFYZLASA-N 1 3 298.430 3.306 20 0 CGADHO C[C@@H]([NH2+]CC[C@H](C)N)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423225316 236001037 /nfs/dbraw/zinc/00/10/37/236001037.db2.gz MGFMFTSBNIYODC-ZRUFSTJUSA-N 1 3 272.845 3.220 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423225316 236001039 /nfs/dbraw/zinc/00/10/39/236001039.db2.gz MGFMFTSBNIYODC-ZRUFSTJUSA-N 1 3 272.845 3.220 20 0 CGADHO COC[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423275206 236018822 /nfs/dbraw/zinc/01/88/22/236018822.db2.gz MWFFMNQPSYUXHW-XJKSGUPXSA-N 1 3 296.842 3.007 20 0 CGADHO COc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000423286139 236023162 /nfs/dbraw/zinc/02/31/62/236023162.db2.gz ZSJROYSICPLBLA-LNSITVRQSA-N 1 3 280.387 3.002 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423316247 236035720 /nfs/dbraw/zinc/03/57/20/236035720.db2.gz ZTUZCRLYJATYPS-UXIGCNINSA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423370310 236052925 /nfs/dbraw/zinc/05/29/25/236052925.db2.gz PKJQJZGFQYPTLY-UGFHNGPFSA-N 1 3 282.378 3.145 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCC(C(F)(F)F)CC1 ZINC000423405843 236064916 /nfs/dbraw/zinc/06/49/16/236064916.db2.gz UBSULKJBPFCEGW-XPXVYLNCSA-N 1 3 292.389 3.331 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423407420 236066193 /nfs/dbraw/zinc/06/61/93/236066193.db2.gz VTKWEJSWCGEAQZ-OIISXLGYSA-N 1 3 272.436 3.268 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCNC[C@H]1C ZINC000423407420 236066194 /nfs/dbraw/zinc/06/61/94/236066194.db2.gz VTKWEJSWCGEAQZ-OIISXLGYSA-N 1 3 272.436 3.268 20 0 CGADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1c1ccccc1)C1CCCCC1 ZINC000423527726 236093960 /nfs/dbraw/zinc/09/39/60/236093960.db2.gz MOHDCWLIHFKQRG-JCGIZDLHSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1c1ccccc1 ZINC000424366787 236157495 /nfs/dbraw/zinc/15/74/95/236157495.db2.gz JQCUNAMAHBJHNU-WSOGKROESA-N 1 3 258.409 3.038 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000177270905 189040899 /nfs/dbraw/zinc/04/08/99/189040899.db2.gz NYJOZMGDJSNXMS-CYBMUJFWSA-N 1 3 278.465 3.348 20 0 CGADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000177603034 189059443 /nfs/dbraw/zinc/05/94/43/189059443.db2.gz AIOVGIMULXIXBF-BMFZPTHFSA-N 1 3 276.424 3.219 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000177947081 189081140 /nfs/dbraw/zinc/08/11/40/189081140.db2.gz GNCQRVOBXUSXAK-XYJFISCASA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cc(C)cc(OCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000177947081 189081141 /nfs/dbraw/zinc/08/11/41/189081141.db2.gz GNCQRVOBXUSXAK-XYJFISCASA-N 1 3 290.451 3.001 20 0 CGADHO c1ccc(C[C@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000178411894 189114632 /nfs/dbraw/zinc/11/46/32/189114632.db2.gz KVFSAEZCJMHADZ-SFHVURJKSA-N 1 3 272.436 3.083 20 0 CGADHO COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000179631570 189208626 /nfs/dbraw/zinc/20/86/26/189208626.db2.gz FRJJNGKKDSBLNO-OAHLLOKOSA-N 1 3 298.430 3.232 20 0 CGADHO COc1ccc2ccccc2c1C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000179631570 189208627 /nfs/dbraw/zinc/20/86/27/189208627.db2.gz FRJJNGKKDSBLNO-OAHLLOKOSA-N 1 3 298.430 3.232 20 0 CGADHO CC/C=C\CCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342251822 216278997 /nfs/dbraw/zinc/27/89/97/216278997.db2.gz RGLUCESEJSEPGG-YIEVGGLXSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251822 216278999 /nfs/dbraw/zinc/27/89/99/216278999.db2.gz RGLUCESEJSEPGG-YIEVGGLXSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000342251822 216279001 /nfs/dbraw/zinc/27/90/01/216279001.db2.gz RGLUCESEJSEPGG-YIEVGGLXSA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C\CC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000342251822 216279005 /nfs/dbraw/zinc/27/90/05/216279005.db2.gz RGLUCESEJSEPGG-YIEVGGLXSA-N 1 3 250.430 3.006 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CCCCCC1 ZINC000423349342 299321728 /nfs/dbraw/zinc/32/17/28/299321728.db2.gz VPEJNQGKZHIDLU-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccncc2F)C1 ZINC000449081114 239163719 /nfs/dbraw/zinc/16/37/19/239163719.db2.gz BVWQJKCPLLQFEL-HUUCEWRRSA-N 1 3 293.430 3.068 20 0 CGADHO CC(C)c1cnc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335543941 212243821 /nfs/dbraw/zinc/24/38/21/212243821.db2.gz NQCBRUOKZSLBLM-ZDUSSCGKSA-N 1 3 293.480 3.231 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360428 242089937 /nfs/dbraw/zinc/08/99/37/242089937.db2.gz FUAAJCGOLWXDKH-NEWSRXKRSA-N 1 3 286.463 3.454 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360428 242089943 /nfs/dbraw/zinc/08/99/43/242089943.db2.gz FUAAJCGOLWXDKH-NEWSRXKRSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360428 242089956 /nfs/dbraw/zinc/08/99/56/242089956.db2.gz FUAAJCGOLWXDKH-NEWSRXKRSA-N 1 3 286.463 3.454 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459360428 242089963 /nfs/dbraw/zinc/08/99/63/242089963.db2.gz FUAAJCGOLWXDKH-NEWSRXKRSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000251488719 299382179 /nfs/dbraw/zinc/38/21/79/299382179.db2.gz CFCRDNKDCOZZLZ-VHRBIJSZSA-N 1 3 284.350 3.066 20 0 CGADHO CC[C@H](C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000481032874 243174590 /nfs/dbraw/zinc/17/45/90/243174590.db2.gz IWQUTXUDNBLIPF-YESZJQIVSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cncs1 ZINC000359932818 296121916 /nfs/dbraw/zinc/12/19/16/296121916.db2.gz HIIDCQPZJRTKCK-ZIAGYGMSSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cncs1 ZINC000359932818 296121918 /nfs/dbraw/zinc/12/19/18/296121918.db2.gz HIIDCQPZJRTKCK-ZIAGYGMSSA-N 1 3 281.469 3.306 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@H]1CC1(C)C ZINC000486939676 243382082 /nfs/dbraw/zinc/38/20/82/243382082.db2.gz QOLZORDIHVKZQI-CZUORRHYSA-N 1 3 260.425 3.272 20 0 CGADHO COc1cccc2cc([C@@H](C)[NH2+]CCCN(C)C)oc21 ZINC000020091915 368800436 /nfs/dbraw/zinc/80/04/36/368800436.db2.gz PJPOLJAIMQUNSG-GFCCVEGCSA-N 1 3 276.380 3.044 20 0 CGADHO CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(OC)cc1 ZINC000035012891 368989484 /nfs/dbraw/zinc/98/94/84/368989484.db2.gz GWXCAQJSHVTDON-KRWDZBQOSA-N 1 3 276.424 3.220 20 0 CGADHO CC1CCN(CCC[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000035016897 368991030 /nfs/dbraw/zinc/99/10/30/368991030.db2.gz OMOKNYXIUWWQNN-LJQANCHMSA-N 1 3 286.463 3.256 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000037644622 369094523 /nfs/dbraw/zinc/09/45/23/369094523.db2.gz LYSAKBWPPCRDND-DOTOQJQBSA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C(C)C)C1 ZINC000037644622 369094528 /nfs/dbraw/zinc/09/45/28/369094528.db2.gz LYSAKBWPPCRDND-DOTOQJQBSA-N 1 3 260.425 3.315 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C(C)C)C1 ZINC000037644622 369094531 /nfs/dbraw/zinc/09/45/31/369094531.db2.gz LYSAKBWPPCRDND-DOTOQJQBSA-N 1 3 260.425 3.315 20 0 CGADHO COc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000037786425 369113379 /nfs/dbraw/zinc/11/33/79/369113379.db2.gz ZBCQRRCLBAIGBV-UHFFFAOYSA-N 1 3 276.424 3.048 20 0 CGADHO CCc1ccc(C[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000037997522 369136619 /nfs/dbraw/zinc/13/66/19/369136619.db2.gz QGBUSLYOBSOZAE-INIZCTEOSA-N 1 3 274.452 3.461 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000041631621 369193388 /nfs/dbraw/zinc/19/33/88/369193388.db2.gz HFHGDZLDQSYRBX-QWHCGFSZSA-N 1 3 278.465 3.445 20 0 CGADHO CCc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000041631621 369193393 /nfs/dbraw/zinc/19/33/93/369193393.db2.gz HFHGDZLDQSYRBX-QWHCGFSZSA-N 1 3 278.465 3.445 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)s1 ZINC000041631556 369193468 /nfs/dbraw/zinc/19/34/68/369193468.db2.gz IFLKQLHFUGUIJI-STQMWFEESA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CC)C2)s1 ZINC000041631556 369193472 /nfs/dbraw/zinc/19/34/72/369193472.db2.gz IFLKQLHFUGUIJI-STQMWFEESA-N 1 3 266.454 3.303 20 0 CGADHO CCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](CC)C2)s1 ZINC000041631556 369193477 /nfs/dbraw/zinc/19/34/77/369193477.db2.gz IFLKQLHFUGUIJI-STQMWFEESA-N 1 3 266.454 3.303 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@H](C[NH3+])C1 ZINC000044527719 369264213 /nfs/dbraw/zinc/26/42/13/369264213.db2.gz IBGDPNFHYIAESK-VXGBXAGGSA-N 1 3 286.341 3.437 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)CC[NH+](C)C ZINC000049553469 369409508 /nfs/dbraw/zinc/40/95/08/369409508.db2.gz QNPKLDUFDLPGBZ-GUYCJALGSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1ccccc1[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000062077852 369617591 /nfs/dbraw/zinc/61/75/91/369617591.db2.gz GYLNOOKLPIDAJO-HOCLYGCPSA-N 1 3 260.425 3.378 20 0 CGADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077852 369617595 /nfs/dbraw/zinc/61/75/95/369617595.db2.gz GYLNOOKLPIDAJO-HOCLYGCPSA-N 1 3 260.425 3.378 20 0 CGADHO C[C@@H](C[NH2+]C1CC(c2ccccc2F)C1)CN1CCCC1 ZINC000062078471 369619373 /nfs/dbraw/zinc/61/93/73/369619373.db2.gz IWRQMXOUGRWVBA-FHERZECASA-N 1 3 290.426 3.393 20 0 CGADHO C[C@@H](CNC1CC(c2ccccc2F)C1)C[NH+]1CCCC1 ZINC000062078471 369619376 /nfs/dbraw/zinc/61/93/76/369619376.db2.gz IWRQMXOUGRWVBA-FHERZECASA-N 1 3 290.426 3.393 20 0 CGADHO C(=C/c1ccccc1)\CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200103 369643271 /nfs/dbraw/zinc/64/32/71/369643271.db2.gz NYDBRIQLBMMRFS-KRZKXXONSA-N 1 3 270.420 3.164 20 0 CGADHO CCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197676 369643416 /nfs/dbraw/zinc/64/34/16/369643416.db2.gz PRDKZBXQBFJKDF-SFHVURJKSA-N 1 3 288.435 3.049 20 0 CGADHO COc1cccc([C@H](C)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063198227 369643440 /nfs/dbraw/zinc/64/34/40/369643440.db2.gz XEKAVCIEHIJHHY-KSSFIOAISA-N 1 3 288.435 3.220 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383684 370095267 /nfs/dbraw/zinc/09/52/67/370095267.db2.gz ACFZTAZEZNYTSA-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383684 370095271 /nfs/dbraw/zinc/09/52/71/370095271.db2.gz ACFZTAZEZNYTSA-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383684 370095273 /nfs/dbraw/zinc/09/52/73/370095273.db2.gz ACFZTAZEZNYTSA-RDTXWAMCSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](NCCCCC[NH+]1CCCCC1)c1cccnc1 ZINC000112546739 370433354 /nfs/dbraw/zinc/43/33/54/370433354.db2.gz YHQNMOBMBIBYNH-INIZCTEOSA-N 1 3 275.440 3.388 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851763 376204282 /nfs/dbraw/zinc/20/42/82/376204282.db2.gz QKSPKGNXDJXCOB-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000537851763 376204289 /nfs/dbraw/zinc/20/42/89/376204289.db2.gz QKSPKGNXDJXCOB-ZACQAIPSSA-N 1 3 266.473 3.476 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2sccc2C)C1 ZINC000151114099 371569541 /nfs/dbraw/zinc/56/95/41/371569541.db2.gz GDJFZEZHRBTDOO-KBPBESRZSA-N 1 3 266.454 3.439 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127025 371574273 /nfs/dbraw/zinc/57/42/73/371574273.db2.gz DDRYOILSKOKUPK-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127025 371574283 /nfs/dbraw/zinc/57/42/83/371574283.db2.gz DDRYOILSKOKUPK-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000151127025 371574292 /nfs/dbraw/zinc/57/42/92/371574292.db2.gz DDRYOILSKOKUPK-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO COCC[N@H+](C)CCCN[C@H]1C[C@H](C)c2c1cccc2C ZINC000152884813 371733082 /nfs/dbraw/zinc/73/30/82/371733082.db2.gz NVIZXIAQOITRBT-RDJZCZTQSA-N 1 3 290.451 3.101 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H]1C[C@H](C)c2c1cccc2C ZINC000152884813 371733086 /nfs/dbraw/zinc/73/30/86/371733086.db2.gz NVIZXIAQOITRBT-RDJZCZTQSA-N 1 3 290.451 3.101 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422690850 371757166 /nfs/dbraw/zinc/75/71/66/371757166.db2.gz HAWDMKNUZMXFIZ-KZNAEPCWSA-N 1 3 272.436 3.314 20 0 CGADHO Fc1ccc(C[C@H]([NH2+]C2CCNCC2)c2ccccc2)cc1 ZINC000422705105 371759918 /nfs/dbraw/zinc/75/99/18/371759918.db2.gz QVKPWEYYRMGHBA-IBGZPJMESA-N 1 3 298.405 3.451 20 0 CGADHO COCCSc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422707505 371761273 /nfs/dbraw/zinc/76/12/73/371761273.db2.gz AGBUGJCWQJIPNF-RDBSUJKOSA-N 1 3 296.480 3.202 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1coc(-c2cccs2)n1 ZINC000422718548 371765150 /nfs/dbraw/zinc/76/51/50/371765150.db2.gz LDKWYBJPSDEOOD-LLVKDONJSA-N 1 3 279.409 3.010 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000422719038 371768690 /nfs/dbraw/zinc/76/86/90/371768690.db2.gz QQEFRTCJRCPSIX-FZMZJTMJSA-N 1 3 287.234 3.253 20 0 CGADHO COc1ccc(CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422731041 371771872 /nfs/dbraw/zinc/77/18/72/371771872.db2.gz GIYCANXDMRHJAX-OALUTQOASA-N 1 3 296.414 3.362 20 0 CGADHO COc1cc(F)c([C@@H](C)N[C@@H](C)CCCC[NH3+])cc1OC ZINC000422736003 371774879 /nfs/dbraw/zinc/77/48/79/371774879.db2.gz VLPIPFKTNWBRAR-NWDGAFQWSA-N 1 3 298.402 3.011 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000422734781 371775050 /nfs/dbraw/zinc/77/50/50/371775050.db2.gz UAQKQJJKEQBVEN-NEPJUHHUSA-N 1 3 261.413 3.078 20 0 CGADHO CC(C)(C)c1csc(CNC2CCC(C[NH3+])CC2)n1 ZINC000422735820 371775530 /nfs/dbraw/zinc/77/55/30/371775530.db2.gz FIJCUBWXRHQGKH-UHFFFAOYSA-N 1 3 281.469 3.048 20 0 CGADHO Cc1c2ccccc2oc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422748576 371782277 /nfs/dbraw/zinc/78/22/77/371782277.db2.gz VEPLSUMDPVSEBX-DZGCQCFKSA-N 1 3 272.392 3.348 20 0 CGADHO CC(C)OC[C@H](C)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000337330239 214009876 /nfs/dbraw/zinc/00/98/76/214009876.db2.gz GHERUNXNSOOZRT-INIZCTEOSA-N 1 3 290.451 3.186 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(F)cc2)CCCCC1 ZINC000422756274 371786639 /nfs/dbraw/zinc/78/66/39/371786639.db2.gz HQCLEJAYXRUWEA-DLBZAZTESA-N 1 3 290.426 3.497 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422757399 371787057 /nfs/dbraw/zinc/78/70/57/371787057.db2.gz CVSCXBIGKOJQCK-HOTGVXAUSA-N 1 3 276.399 3.107 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422818624 371829496 /nfs/dbraw/zinc/82/94/96/371829496.db2.gz LBGCUXTYXAPYRP-LXTVHRRPSA-N 1 3 270.486 3.028 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774914 371799497 /nfs/dbraw/zinc/79/94/97/371799497.db2.gz YXTKTYFLVRZSKY-CJNGLKHVSA-N 1 3 292.854 3.479 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@@H]3CCCC[C@H]3CN)c[nH]c2c1 ZINC000422839889 371833970 /nfs/dbraw/zinc/83/39/70/371833970.db2.gz ANPADVRBVMARKW-WMLDXEAASA-N 1 3 285.435 3.126 20 0 CGADHO COc1cccc(F)c1[C@H](C)N[C@@H](C)CCCC[NH3+] ZINC000422783468 371807054 /nfs/dbraw/zinc/80/70/54/371807054.db2.gz HNERYWGKHNAEEN-RYUDHWBXSA-N 1 3 268.376 3.002 20 0 CGADHO COc1ccc([C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cc1 ZINC000422786892 371808044 /nfs/dbraw/zinc/80/80/44/371808044.db2.gz PFPQNRMKGPLYAS-ONYGOOLBSA-N 1 3 288.435 3.265 20 0 CGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCOc1ccccc1 ZINC000422792214 371810164 /nfs/dbraw/zinc/81/01/64/371810164.db2.gz QYVHLBDOJJAHHU-LPHOPBHVSA-N 1 3 298.430 3.004 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422801951 371819289 /nfs/dbraw/zinc/81/92/89/371819289.db2.gz CQYXSOOWJLBEGB-XEZPLFJOSA-N 1 3 266.404 3.108 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422865450 371845175 /nfs/dbraw/zinc/84/51/75/371845175.db2.gz YECBREGGFFJWLO-MSOLQXFVSA-N 1 3 282.387 3.448 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000289937251 371857201 /nfs/dbraw/zinc/85/72/01/371857201.db2.gz VYKSMNHZOMRNPI-CABCVRRESA-N 1 3 283.419 3.227 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422898681 371858877 /nfs/dbraw/zinc/85/88/77/371858877.db2.gz MOTXJXYOCLWMAV-WMZOPIPTSA-N 1 3 290.451 3.261 20 0 CGADHO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1Cl ZINC000422948099 371886220 /nfs/dbraw/zinc/88/62/20/371886220.db2.gz ZQYWIZABIRQJQT-ZIAGYGMSSA-N 1 3 282.815 3.098 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422928062 371875588 /nfs/dbraw/zinc/87/55/88/371875588.db2.gz IRAXBHVWTOYGDN-JGGQBBKZSA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Oc1cccc(Cl)c1 ZINC000422928062 371875595 /nfs/dbraw/zinc/87/55/95/371875595.db2.gz IRAXBHVWTOYGDN-JGGQBBKZSA-N 1 3 296.842 3.214 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccc(C(C)(C)C)cc1 ZINC000422931397 371878658 /nfs/dbraw/zinc/87/86/58/371878658.db2.gz XPMFKVAKKKXWQT-ZIAGYGMSSA-N 1 3 278.440 3.078 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422936545 371879587 /nfs/dbraw/zinc/87/95/87/371879587.db2.gz MMKNORMNCJJFOX-DNVCBOLYSA-N 1 3 282.431 3.360 20 0 CGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000422936470 371880142 /nfs/dbraw/zinc/88/01/42/371880142.db2.gz IFMPORJJMNYGLT-VMAZRHSESA-N 1 3 296.499 3.181 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422937330 371880985 /nfs/dbraw/zinc/88/09/85/371880985.db2.gz JMJAWVCSWJGHGV-OALUTQOASA-N 1 3 296.414 3.235 20 0 CGADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422941469 371883190 /nfs/dbraw/zinc/88/31/90/371883190.db2.gz OPHZOXICESXCHW-SDDRHHMPSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](Cc1ccc(Br)cc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422941469 371883197 /nfs/dbraw/zinc/88/31/97/371883197.db2.gz OPHZOXICESXCHW-SDDRHHMPSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422850611 371840611 /nfs/dbraw/zinc/84/06/11/371840611.db2.gz NUOLQEBJWNZAOP-YFKTTZPYSA-N 1 3 266.351 3.071 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423049342 371934395 /nfs/dbraw/zinc/93/43/95/371934395.db2.gz JPRLEYSBSWMZLX-RHSMWYFYSA-N 1 3 296.405 3.395 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000423051350 371935482 /nfs/dbraw/zinc/93/54/82/371935482.db2.gz NTCILTDTABNFIA-BEFAXECRSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(-c2cccnc2)c1 ZINC000423051353 371935784 /nfs/dbraw/zinc/93/57/84/371935784.db2.gz NTCILTDTABNFIA-KXBFYZLASA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423057516 371937764 /nfs/dbraw/zinc/93/77/64/371937764.db2.gz ZKJCQMKYMZQUDK-HZPDHXFCSA-N 1 3 290.451 3.089 20 0 CGADHO CSCc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423060670 371941811 /nfs/dbraw/zinc/94/18/11/371941811.db2.gz OXICFBBYETZTSA-HOTGVXAUSA-N 1 3 278.465 3.157 20 0 CGADHO CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422951267 371889295 /nfs/dbraw/zinc/88/92/95/371889295.db2.gz XURILNPBFFPLGM-QEFFHFBBSA-N 1 3 296.499 3.325 20 0 CGADHO CC(C)c1ccccc1OCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422959096 371893625 /nfs/dbraw/zinc/89/36/25/371893625.db2.gz QQJBPNLZONHERB-WBVHZDCISA-N 1 3 290.451 3.296 20 0 CGADHO CC(C)c1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422959096 371893633 /nfs/dbraw/zinc/89/36/33/371893633.db2.gz QQJBPNLZONHERB-WBVHZDCISA-N 1 3 290.451 3.296 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1cccnc1OC1CCCC1 ZINC000422961191 371893852 /nfs/dbraw/zinc/89/38/52/371893852.db2.gz BARAWXDVSIUWKG-CQSZACIVSA-N 1 3 291.439 3.010 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422967489 371895022 /nfs/dbraw/zinc/89/50/22/371895022.db2.gz CALHCYCTUQZKHV-HLLBOEOZSA-N 1 3 290.451 3.224 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422968208 371895484 /nfs/dbraw/zinc/89/54/84/371895484.db2.gz QQYWODCKRJBMAO-QBPKDAKJSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423065479 371942795 /nfs/dbraw/zinc/94/27/95/371942795.db2.gz BITDNTCDQDCJSN-XIRDDKMYSA-N 1 3 294.483 3.221 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000422985453 371903097 /nfs/dbraw/zinc/90/30/97/371903097.db2.gz DWXCQKSYPUQXTR-DZOHQFGASA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)(C)c1nc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cs1 ZINC000423021633 371920521 /nfs/dbraw/zinc/92/05/21/371920521.db2.gz FRFLBSYNKRZXFK-OCCSQVGLSA-N 1 3 295.496 3.090 20 0 CGADHO CC(C)(C)c1nc(CCN[C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000423021633 371920527 /nfs/dbraw/zinc/92/05/27/371920527.db2.gz FRFLBSYNKRZXFK-OCCSQVGLSA-N 1 3 295.496 3.090 20 0 CGADHO C[C@H](CCC[NH3+])NC1(c2ccc(F)cc2F)CCC1 ZINC000423030558 371924866 /nfs/dbraw/zinc/92/48/66/371924866.db2.gz TWMKUIDBOPBMRS-LLVKDONJSA-N 1 3 268.351 3.061 20 0 CGADHO CS[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)(C)C ZINC000423034720 371926430 /nfs/dbraw/zinc/92/64/30/371926430.db2.gz QKERZLSAXLRRMW-CWRNSKLLSA-N 1 3 294.508 3.312 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423033983 371927143 /nfs/dbraw/zinc/92/71/43/371927143.db2.gz ZZMHWXTUGGVBKJ-QWRGUYRKSA-N 1 3 284.806 3.226 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423033983 371927155 /nfs/dbraw/zinc/92/71/55/371927155.db2.gz ZZMHWXTUGGVBKJ-QWRGUYRKSA-N 1 3 284.806 3.226 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000423044548 371929767 /nfs/dbraw/zinc/92/97/67/371929767.db2.gz BHDSTQKXRSSEBU-KGLIPLIRSA-N 1 3 268.351 3.374 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423045997 371931837 /nfs/dbraw/zinc/93/18/37/371931837.db2.gz DSGGUIWUWHSKLJ-HZPDHXFCSA-N 1 3 272.392 3.491 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423050597 371933334 /nfs/dbraw/zinc/93/33/34/371933334.db2.gz MOHIOLCYRAXHLR-OWQGQXMQSA-N 1 3 272.436 3.144 20 0 CGADHO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423050597 371933337 /nfs/dbraw/zinc/93/33/37/371933337.db2.gz MOHIOLCYRAXHLR-OWQGQXMQSA-N 1 3 272.436 3.144 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000423050565 371933902 /nfs/dbraw/zinc/93/39/02/371933902.db2.gz MJBDZQDVHQLNOA-GDBMZVCRSA-N 1 3 250.430 3.245 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092457 371958781 /nfs/dbraw/zinc/95/87/81/371958781.db2.gz BYRGYIYAKQPWMC-NLRBGTRBSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423092457 371958787 /nfs/dbraw/zinc/95/87/87/371958787.db2.gz BYRGYIYAKQPWMC-NLRBGTRBSA-N 1 3 266.816 3.301 20 0 CGADHO CC1(c2ccccc2)CC(N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423099279 371963215 /nfs/dbraw/zinc/96/32/15/371963215.db2.gz LWCAYTKBVVKXTN-QLOLRVAOSA-N 1 3 272.436 3.356 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000423099586 371964006 /nfs/dbraw/zinc/96/40/06/371964006.db2.gz FPBKZGUIEUPQAE-AAEUAGOBSA-N 1 3 286.872 3.441 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423104255 371967677 /nfs/dbraw/zinc/96/76/77/371967677.db2.gz YDAVRYBDNZVUJX-QCPWZWHMSA-N 1 3 276.399 3.049 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423170268 372001767 /nfs/dbraw/zinc/00/17/67/372001767.db2.gz XQLUIVDJJVJLCI-OVYGPGRDSA-N 1 3 264.457 3.321 20 0 CGADHO Cc1cccc(CCCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000423107152 371970010 /nfs/dbraw/zinc/97/00/10/371970010.db2.gz PKIHFRLRIVOTCZ-WMZOPIPTSA-N 1 3 289.467 3.223 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423124135 371978656 /nfs/dbraw/zinc/97/86/56/371978656.db2.gz MCRNMDMAONEAEI-AAVRWANBSA-N 1 3 292.389 3.333 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423125319 371979422 /nfs/dbraw/zinc/97/94/22/371979422.db2.gz QIYCPLNAPXMRNZ-MLHJIOFPSA-N 1 3 288.435 3.014 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cc2ccccc2s1 ZINC000423126959 371981258 /nfs/dbraw/zinc/98/12/58/371981258.db2.gz BIRTZRUURLFXDZ-CZUORRHYSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423126959 371981265 /nfs/dbraw/zinc/98/12/65/371981265.db2.gz BIRTZRUURLFXDZ-CZUORRHYSA-N 1 3 288.460 3.422 20 0 CGADHO COCC(C)(C)CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423131469 371982608 /nfs/dbraw/zinc/98/26/08/371982608.db2.gz SXKZIEBJZCVMDQ-JKSUJKDBSA-N 1 3 276.424 3.174 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423138639 371986561 /nfs/dbraw/zinc/98/65/61/371986561.db2.gz JNGWCFMZKSCZDN-DLBZAZTESA-N 1 3 258.409 3.122 20 0 CGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCCCC1(F)F ZINC000423145939 371990643 /nfs/dbraw/zinc/99/06/43/371990643.db2.gz NEEAHVJEAYCITE-CWRNSKLLSA-N 1 3 296.405 3.360 20 0 CGADHO Cc1cccnc1CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423158054 371996533 /nfs/dbraw/zinc/99/65/33/371996533.db2.gz WCQYGTTZWWXIPB-WMZOPIPTSA-N 1 3 281.403 3.057 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423163297 371997797 /nfs/dbraw/zinc/99/77/97/371997797.db2.gz MNMWXFOAAUSEES-ZFWWWQNUSA-N 1 3 250.430 3.064 20 0 CGADHO CCCOc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000423070436 371947577 /nfs/dbraw/zinc/94/75/77/371947577.db2.gz NHFYLSQNYSWFEB-PBHICJAKSA-N 1 3 276.424 3.001 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423085746 371953953 /nfs/dbraw/zinc/95/39/53/371953953.db2.gz LHOXZWCATBASIP-DIECFANBSA-N 1 3 276.399 3.179 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423204470 372028562 /nfs/dbraw/zinc/02/85/62/372028562.db2.gz AWJXMIKYJXEDCV-VPEURPPWSA-N 1 3 264.457 3.464 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620649 372030678 /nfs/dbraw/zinc/03/06/78/372030678.db2.gz XGKLURMCQHRHJJ-KDOFPFPSSA-N 1 3 283.419 3.007 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2ncccc2c1 ZINC000290620649 372030685 /nfs/dbraw/zinc/03/06/85/372030685.db2.gz XGKLURMCQHRHJJ-KDOFPFPSSA-N 1 3 283.419 3.007 20 0 CGADHO CCO[C@@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C1(C)C ZINC000344156638 217080107 /nfs/dbraw/zinc/08/01/07/217080107.db2.gz AQASNUTYXJPWML-HZPDHXFCSA-N 1 3 284.488 3.289 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000423398152 372060853 /nfs/dbraw/zinc/06/08/53/372060853.db2.gz UAZOZHIVGAEOEN-UMVBOHGHSA-N 1 3 264.800 3.187 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000423219417 372038293 /nfs/dbraw/zinc/03/82/93/372038293.db2.gz WOUBHFNOCMEWIO-RHSMWYFYSA-N 1 3 258.409 3.043 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCCNC1 ZINC000423219417 372038300 /nfs/dbraw/zinc/03/83/00/372038300.db2.gz WOUBHFNOCMEWIO-RHSMWYFYSA-N 1 3 258.409 3.043 20 0 CGADHO C[C@H]([NH3+])CCN[C@H]1CCCc2c(Br)cccc21 ZINC000423224924 372042595 /nfs/dbraw/zinc/04/25/95/372042595.db2.gz KPDMJEKXXCLTKJ-HZMBPMFUSA-N 1 3 297.240 3.153 20 0 CGADHO Cc1ccc([C@H](NCC2C[NH2+]C2)C2CCCCC2)cc1 ZINC000423304465 372050047 /nfs/dbraw/zinc/05/00/47/372050047.db2.gz NXUCXKHDBULROM-GOSISDBHSA-N 1 3 272.436 3.425 20 0 CGADHO Cc1ccc([C@H]([NH2+]CC2CNC2)C2CCCCC2)cc1 ZINC000423304465 372050056 /nfs/dbraw/zinc/05/00/56/372050056.db2.gz NXUCXKHDBULROM-GOSISDBHSA-N 1 3 272.436 3.425 20 0 CGADHO CCC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000158113707 372053171 /nfs/dbraw/zinc/05/31/71/372053171.db2.gz IIGOXGVMTLQKOR-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000158113707 372053175 /nfs/dbraw/zinc/05/31/75/372053175.db2.gz IIGOXGVMTLQKOR-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185881 372057664 /nfs/dbraw/zinc/05/76/64/372057664.db2.gz RWZHTOPEBZIWFH-OLZOCXBDSA-N 1 3 278.465 3.229 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc2c(s1)CCC2 ZINC000158185881 372057670 /nfs/dbraw/zinc/05/76/70/372057670.db2.gz RWZHTOPEBZIWFH-OLZOCXBDSA-N 1 3 278.465 3.229 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423181507 372011164 /nfs/dbraw/zinc/01/11/64/372011164.db2.gz FZMRBFDIYJQHEH-UKRRQHHQSA-N 1 3 266.816 3.305 20 0 CGADHO C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCC2)c2ccccc21 ZINC000423497866 372071266 /nfs/dbraw/zinc/07/12/66/372071266.db2.gz HMTIHFGBRJPUMI-OAUYIBNBSA-N 1 3 258.409 3.342 20 0 CGADHO CC[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529205 372072013 /nfs/dbraw/zinc/07/20/13/372072013.db2.gz OEEPYBYURZUJFI-DLBZAZTESA-N 1 3 276.424 3.253 20 0 CGADHO c1ccc([C@@H]2CNC[C@H]2[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000423536524 372072410 /nfs/dbraw/zinc/07/24/10/372072410.db2.gz ZMZSGPFWYMFJQG-DLBZAZTESA-N 1 3 270.420 3.054 20 0 CGADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](C)CN(C)C)CCCO2 ZINC000425944610 372146425 /nfs/dbraw/zinc/14/64/25/372146425.db2.gz NNPJRNDYCPJPIZ-WMLDXEAASA-N 1 3 290.451 3.304 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCN1CCCC1 ZINC000427598976 372173574 /nfs/dbraw/zinc/17/35/74/372173574.db2.gz KMPYJFLCBHKXSL-SFHVURJKSA-N 1 3 274.452 3.329 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000292971955 372265362 /nfs/dbraw/zinc/26/53/62/372265362.db2.gz MKIIVGPSJWHQKF-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(Cc3cccc4cccnc43)C2)C1 ZINC000292971955 372265369 /nfs/dbraw/zinc/26/53/69/372265369.db2.gz MKIIVGPSJWHQKF-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO COC1(C[C@@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)CCC1 ZINC000429362402 372355975 /nfs/dbraw/zinc/35/59/75/372355975.db2.gz NIKRIKSOXCRVDT-OAHLLOKOSA-N 1 3 290.451 3.186 20 0 CGADHO Cc1sccc1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000293427649 372381741 /nfs/dbraw/zinc/38/17/41/372381741.db2.gz AWEMFIPNOAHAJT-KBPBESRZSA-N 1 3 252.427 3.019 20 0 CGADHO C[C@@H]1CN(CCCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430939115 372408534 /nfs/dbraw/zinc/40/85/34/372408534.db2.gz FEJKRIODHGYDEK-QAPCUYQASA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccc(F)cn1 ZINC000293631381 372430850 /nfs/dbraw/zinc/43/08/50/372430850.db2.gz GLRFQQPTUCHQDR-CQSZACIVSA-N 1 3 279.403 3.137 20 0 CGADHO CN1CCC[C@@]2(CC[N@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684074 372449970 /nfs/dbraw/zinc/44/99/70/372449970.db2.gz PZAWVDLLBZKOQV-ROVVAWJSSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)C1 ZINC000293684074 372449976 /nfs/dbraw/zinc/44/99/76/372449976.db2.gz PZAWVDLLBZKOQV-ROVVAWJSSA-N 1 3 288.410 3.257 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000294175698 372604147 /nfs/dbraw/zinc/60/41/47/372604147.db2.gz DBGVTTDMWMQTCL-IUODEOHRSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccsc1 ZINC000294175698 372604157 /nfs/dbraw/zinc/60/41/57/372604157.db2.gz DBGVTTDMWMQTCL-IUODEOHRSA-N 1 3 264.438 3.273 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000344511222 217217026 /nfs/dbraw/zinc/21/70/26/217217026.db2.gz ISQSLVKXFMCDQZ-PBHICJAKSA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+](C[C@H](C)c1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435394428 372759302 /nfs/dbraw/zinc/75/93/02/372759302.db2.gz NGWJSTGEWZYUGZ-RDJZCZTQSA-N 1 3 290.451 3.263 20 0 CGADHO CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@H]1CCCNCC1 ZINC000435394428 372759308 /nfs/dbraw/zinc/75/93/08/372759308.db2.gz NGWJSTGEWZYUGZ-RDJZCZTQSA-N 1 3 290.451 3.263 20 0 CGADHO CN(Cc1cc2ccccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000435434001 372762645 /nfs/dbraw/zinc/76/26/45/372762645.db2.gz VPRBEXSXJWOZGM-AWEZNQCLSA-N 1 3 274.433 3.475 20 0 CGADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCF)cc1 ZINC000353433291 220079560 /nfs/dbraw/zinc/07/95/60/220079560.db2.gz FKTBWDWPUMWYGL-IRXDYDNUSA-N 1 3 278.415 3.366 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1nccc2ccccc21 ZINC000353423019 220075479 /nfs/dbraw/zinc/07/54/79/220075479.db2.gz CKXWNJCFKVJCCJ-GJZGRUSLSA-N 1 3 295.430 3.370 20 0 CGADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000344579618 217237878 /nfs/dbraw/zinc/23/78/78/217237878.db2.gz GIKDNMSLLWDMKZ-HOTGVXAUSA-N 1 3 296.499 3.028 20 0 CGADHO CCN(CCO[C@@H]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435618024 372783736 /nfs/dbraw/zinc/78/37/36/372783736.db2.gz PCKXWFMUYRPXTD-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2ccccc2C)C1 ZINC000151431788 284348426 /nfs/dbraw/zinc/34/84/26/284348426.db2.gz IYKJBAFAYYXXSS-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2ccccc2C)C1 ZINC000151431788 284348427 /nfs/dbraw/zinc/34/84/27/284348427.db2.gz IYKJBAFAYYXXSS-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431788 284348428 /nfs/dbraw/zinc/34/84/28/284348428.db2.gz IYKJBAFAYYXXSS-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000151431788 284348429 /nfs/dbraw/zinc/34/84/29/284348429.db2.gz IYKJBAFAYYXXSS-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(-c3cccnc3)c2)CC[N@@H+]1C ZINC000344624558 217253519 /nfs/dbraw/zinc/25/35/19/217253519.db2.gz JDZKOKNIBUVGNW-KXBFYZLASA-N 1 3 295.430 3.321 20 0 CGADHO C[C@H]1C[C@@H](NCc2cccc(-c3cccnc3)c2)CC[N@H+]1C ZINC000344624558 217253522 /nfs/dbraw/zinc/25/35/22/217253522.db2.gz JDZKOKNIBUVGNW-KXBFYZLASA-N 1 3 295.430 3.321 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cs1 ZINC000295611865 372847096 /nfs/dbraw/zinc/84/70/96/372847096.db2.gz DUFBCOQCWAIQBJ-MRXNPFEDSA-N 1 3 278.465 3.220 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cs1 ZINC000295611865 372847104 /nfs/dbraw/zinc/84/71/04/372847104.db2.gz DUFBCOQCWAIQBJ-MRXNPFEDSA-N 1 3 278.465 3.220 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000353503314 220123781 /nfs/dbraw/zinc/12/37/81/220123781.db2.gz OKMWYKUYPIVRPB-NEWSRXKRSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000353503314 220123783 /nfs/dbraw/zinc/12/37/83/220123783.db2.gz OKMWYKUYPIVRPB-NEWSRXKRSA-N 1 3 295.430 3.197 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000353503314 220123787 /nfs/dbraw/zinc/12/37/87/220123787.db2.gz OKMWYKUYPIVRPB-NEWSRXKRSA-N 1 3 295.430 3.197 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353503364 220122493 /nfs/dbraw/zinc/12/24/93/220122493.db2.gz ORYDMYPUERHCNI-WDSOQIARSA-N 1 3 295.430 3.197 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2csc(C)c2)C1 ZINC000296084048 373016725 /nfs/dbraw/zinc/01/67/25/373016725.db2.gz STGYWIMVVKNCGE-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCSc1ccccc1Cl ZINC000442777557 373077018 /nfs/dbraw/zinc/07/70/18/373077018.db2.gz DHRWKDOWRWGWOO-OLZOCXBDSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCSc1ccccc1Cl ZINC000442777557 373077027 /nfs/dbraw/zinc/07/70/27/373077027.db2.gz DHRWKDOWRWGWOO-OLZOCXBDSA-N 1 3 298.883 3.491 20 0 CGADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCSc1ccccc1Cl ZINC000442777557 373077040 /nfs/dbraw/zinc/07/70/40/373077040.db2.gz DHRWKDOWRWGWOO-OLZOCXBDSA-N 1 3 298.883 3.491 20 0 CGADHO CCCCN1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000296287391 373079467 /nfs/dbraw/zinc/07/94/67/373079467.db2.gz FMQCGKPKQJXTDU-UHFFFAOYSA-N 1 3 266.454 3.411 20 0 CGADHO CN(CCC[NH+]1CCCCC1)[C@H]1CCc2ccccc2C1 ZINC000444626383 373213458 /nfs/dbraw/zinc/21/34/58/373213458.db2.gz TUIOZQKWIIWPGQ-IBGZPJMESA-N 1 3 286.463 3.352 20 0 CGADHO Cc1cnccc1CNCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000296599291 373189316 /nfs/dbraw/zinc/18/93/16/373189316.db2.gz YHRYRCVOEFZCCF-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO Cc1cnccc1CNCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000296599291 373189325 /nfs/dbraw/zinc/18/93/25/373189325.db2.gz YHRYRCVOEFZCCF-IYBDPMFKSA-N 1 3 289.467 3.238 20 0 CGADHO CCc1ccccc1CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000444695711 373240573 /nfs/dbraw/zinc/24/05/73/373240573.db2.gz SXERFKCWXHCLGF-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccccc1CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000444695711 373240577 /nfs/dbraw/zinc/24/05/77/373240577.db2.gz SXERFKCWXHCLGF-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO CCc1ccccc1CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000444695711 373240581 /nfs/dbraw/zinc/24/05/81/373240581.db2.gz SXERFKCWXHCLGF-SFHVURJKSA-N 1 3 274.452 3.208 20 0 CGADHO Cc1ccc2nccc(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000444877127 373284315 /nfs/dbraw/zinc/28/43/15/373284315.db2.gz OJDIFBBUBDWEOP-UHFFFAOYSA-N 1 3 295.430 3.251 20 0 CGADHO COCC1CCC([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000449084382 373661886 /nfs/dbraw/zinc/66/18/86/373661886.db2.gz XMLCZPZRYCNECL-VYMRPNJYSA-N 1 3 296.499 3.149 20 0 CGADHO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2n1 ZINC000301348045 373754622 /nfs/dbraw/zinc/75/46/22/373754622.db2.gz KLALUSQUWQHIRQ-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2n1 ZINC000301348045 373754632 /nfs/dbraw/zinc/75/46/32/373754632.db2.gz KLALUSQUWQHIRQ-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO C(C[NH2+]C(C1CCC1)C1CCC1)CN1CCCC1 ZINC000302509265 373883967 /nfs/dbraw/zinc/88/39/67/373883967.db2.gz MVAWAFSRUUTGSJ-UHFFFAOYSA-N 1 3 250.430 3.031 20 0 CGADHO c1ccc(C2([NH2+]CCCN3CCCC3)CCC2)cc1 ZINC000179219452 373847004 /nfs/dbraw/zinc/84/70/04/373847004.db2.gz HBRRBTGMGFYUEM-UHFFFAOYSA-N 1 3 258.409 3.141 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC000450472564 374153138 /nfs/dbraw/zinc/15/31/38/374153138.db2.gz LTPNHLBILLPFSA-JGZYNSJSSA-N 1 3 272.436 3.364 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC000450472564 374153143 /nfs/dbraw/zinc/15/31/43/374153143.db2.gz LTPNHLBILLPFSA-JGZYNSJSSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450472564 374153148 /nfs/dbraw/zinc/15/31/48/374153148.db2.gz LTPNHLBILLPFSA-JGZYNSJSSA-N 1 3 272.436 3.364 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450472564 374153154 /nfs/dbraw/zinc/15/31/54/374153154.db2.gz LTPNHLBILLPFSA-JGZYNSJSSA-N 1 3 272.436 3.364 20 0 CGADHO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)CN1CCCC1 ZINC000308459765 374167156 /nfs/dbraw/zinc/16/71/56/374167156.db2.gz PUSNLWBEEAYJSK-AWEZNQCLSA-N 1 3 280.843 3.204 20 0 CGADHO C[C@@H](CNCCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000308459765 374167165 /nfs/dbraw/zinc/16/71/65/374167165.db2.gz PUSNLWBEEAYJSK-AWEZNQCLSA-N 1 3 280.843 3.204 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000182028054 374206750 /nfs/dbraw/zinc/20/67/50/374206750.db2.gz GUVHWQSNDRLVHW-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000182028054 374206757 /nfs/dbraw/zinc/20/67/57/374206757.db2.gz GUVHWQSNDRLVHW-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000182042282 374209362 /nfs/dbraw/zinc/20/93/62/374209362.db2.gz DFRLLCYMQKUSOY-PKOBYXMFSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000182042282 374209370 /nfs/dbraw/zinc/20/93/70/374209370.db2.gz DFRLLCYMQKUSOY-PKOBYXMFSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@@H](Cc1ccccc1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182042282 374209374 /nfs/dbraw/zinc/20/93/74/374209374.db2.gz DFRLLCYMQKUSOY-PKOBYXMFSA-N 1 3 286.463 3.283 20 0 CGADHO COc1ccc2ccccc2c1C[NH2+]C[C@@H](C)CN(C)C ZINC000314009639 374311129 /nfs/dbraw/zinc/31/11/29/374311129.db2.gz NKICYOADTIMDNQ-CQSZACIVSA-N 1 3 286.419 3.136 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461597 541920323 /nfs/dbraw/zinc/92/03/23/541920323.db2.gz VLKYVGMACWXQOG-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2c(C)cccc2C)[C@H](C)C1 ZINC000079461597 541920327 /nfs/dbraw/zinc/92/03/27/541920327.db2.gz VLKYVGMACWXQOG-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO c1coc(CCNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000315127895 374326688 /nfs/dbraw/zinc/32/66/88/374326688.db2.gz BMLNDDQQRXYSOO-UHFFFAOYSA-N 1 3 298.430 3.119 20 0 CGADHO COc1cc(C)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322915890 374354653 /nfs/dbraw/zinc/35/46/53/374354653.db2.gz KSGPMMRFLYVVBL-WZYMTQMTSA-N 1 3 288.435 3.279 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C12CCCC2 ZINC000085680367 541937484 /nfs/dbraw/zinc/93/74/84/541937484.db2.gz MQBXJOMUPJFMGI-YESZJQIVSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@H](C)C[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000091796090 541969752 /nfs/dbraw/zinc/96/97/52/541969752.db2.gz IBLQEXMRSHNDLA-HNNXBMFYSA-N 1 3 278.440 3.105 20 0 CGADHO CC[C@H](C)C[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000091796090 541969756 /nfs/dbraw/zinc/96/97/56/541969756.db2.gz IBLQEXMRSHNDLA-HNNXBMFYSA-N 1 3 278.440 3.105 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccccc2C2CC2)CC[N@@H+]1C ZINC000094357978 541985984 /nfs/dbraw/zinc/98/59/84/541985984.db2.gz VVCDKLQDTAZVEP-BBRMVZONSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@H]1C[C@@H](NCc2ccccc2C2CC2)CC[N@H+]1C ZINC000094357978 541985987 /nfs/dbraw/zinc/98/59/87/541985987.db2.gz VVCDKLQDTAZVEP-BBRMVZONSA-N 1 3 258.409 3.136 20 0 CGADHO CNC[C@H]1CC[N@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469992667 374994471 /nfs/dbraw/zinc/99/44/71/374994471.db2.gz MSJURQUUUOMIDF-GDBMZVCRSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@H]1CC[N@@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469992667 374994478 /nfs/dbraw/zinc/99/44/78/374994478.db2.gz MSJURQUUUOMIDF-GDBMZVCRSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C[C@H]1CCN(C[C@H](C)CC2CCCCC2)C1 ZINC000469992667 374994485 /nfs/dbraw/zinc/99/44/85/374994485.db2.gz MSJURQUUUOMIDF-GDBMZVCRSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC1CCCCC1 ZINC000483247609 375178528 /nfs/dbraw/zinc/17/85/28/375178528.db2.gz NWHJITPXGCHACU-KURKYZTESA-N 1 3 294.483 3.140 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000487549165 375251699 /nfs/dbraw/zinc/25/16/99/375251699.db2.gz FLYSITMSAWZOKR-HNNXBMFYSA-N 1 3 284.513 3.374 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000487278481 375217562 /nfs/dbraw/zinc/21/75/62/375217562.db2.gz OACZTPXJSLIHLN-KKUMJFAQSA-N 1 3 252.446 3.131 20 0 CGADHO Clc1ccc2c(c1)OCCC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000335502069 375325531 /nfs/dbraw/zinc/32/55/31/375325531.db2.gz UPFHNPBZUBCBBS-HNNXBMFYSA-N 1 3 292.810 3.063 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)CN(C)C ZINC000491589789 375334761 /nfs/dbraw/zinc/33/47/61/375334761.db2.gz UHWIHWZZDYTBDO-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)COc1cccc(C[NH2+]C[C@H](C)CN(C)C)c1 ZINC000491597033 375336147 /nfs/dbraw/zinc/33/61/47/375336147.db2.gz QNKSJMIURVDOFA-HNNXBMFYSA-N 1 3 278.440 3.009 20 0 CGADHO CCOC1CC(CC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000189247100 375348981 /nfs/dbraw/zinc/34/89/81/375348981.db2.gz FWVQTOQEZWGYJF-UHFFFAOYSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000335842053 375476149 /nfs/dbraw/zinc/47/61/49/375476149.db2.gz RWZCOSWAAKDKPZ-AAEUAGOBSA-N 1 3 260.406 3.070 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)[C@@H]1C ZINC000495079625 375498460 /nfs/dbraw/zinc/49/84/60/375498460.db2.gz OMCIGFMWQQCJMP-XJKCOSOUSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928892 542029605 /nfs/dbraw/zinc/02/96/05/542029605.db2.gz SWLLRLQAXASWKW-WMLDXEAASA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cccc3c2CCNC3)C1 ZINC000123928892 542029610 /nfs/dbraw/zinc/02/96/10/542029610.db2.gz SWLLRLQAXASWKW-WMLDXEAASA-N 1 3 272.436 3.343 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC000509119795 375771136 /nfs/dbraw/zinc/77/11/36/375771136.db2.gz DDCUYBLNYFQDEP-SOUVJXGZSA-N 1 3 258.425 3.225 20 0 CGADHO C[C@@H](NCc1cc2c(s1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000520564946 375863887 /nfs/dbraw/zinc/86/38/87/375863887.db2.gz OZQWYBJFURUZJP-TZMCWYRMSA-N 1 3 278.465 3.105 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C)cc1Cl ZINC000520593183 375866025 /nfs/dbraw/zinc/86/60/25/375866025.db2.gz QOMCRVUHNYSALH-HNNXBMFYSA-N 1 3 298.858 3.095 20 0 CGADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261405 375963917 /nfs/dbraw/zinc/96/39/17/375963917.db2.gz GNPOMMUPXUUKAD-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000534261405 375963919 /nfs/dbraw/zinc/96/39/19/375963919.db2.gz GNPOMMUPXUUKAD-LRDDRELGSA-N 1 3 278.827 3.259 20 0 CGADHO C[C@@H](c1ccccc1Cl)N1CCC[C@H](CC[NH3+])C1 ZINC000070169399 296238342 /nfs/dbraw/zinc/23/83/42/296238342.db2.gz HKLRRBLWERECIP-QWHCGFSZSA-N 1 3 266.816 3.462 20 0 CGADHO Cc1cc(C)cc([C@H](C)[NH2+]CC[C@H]2CCCN2C)c1 ZINC000537105591 376146715 /nfs/dbraw/zinc/14/67/15/376146715.db2.gz OCMKMSOEHSKUSV-DOTOQJQBSA-N 1 3 260.425 3.438 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969403 376155329 /nfs/dbraw/zinc/15/53/29/376155329.db2.gz VJLFLMJEMLEPAO-UONOGXRCSA-N 1 3 278.399 3.426 20 0 CGADHO C[C@H]1C[C@H](CN)C[N@H+]1C1c2ccccc2-c2ccccc21 ZINC000215969403 376155334 /nfs/dbraw/zinc/15/53/34/376155334.db2.gz VJLFLMJEMLEPAO-UONOGXRCSA-N 1 3 278.399 3.426 20 0 CGADHO C[N@H+](CCCN1CCCC1)[C@H]1CCc2ccc(F)cc21 ZINC000337268858 376180187 /nfs/dbraw/zinc/18/01/87/376180187.db2.gz LAJVPEFJQIXHRP-KRWDZBQOSA-N 1 3 276.399 3.231 20 0 CGADHO C[N@@H+](CCCN1CCCC1)[C@H]1CCc2ccc(F)cc21 ZINC000337268858 376180192 /nfs/dbraw/zinc/18/01/92/376180192.db2.gz LAJVPEFJQIXHRP-KRWDZBQOSA-N 1 3 276.399 3.231 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC12CCC2)N1CCCCC1 ZINC000337364027 376215840 /nfs/dbraw/zinc/21/58/40/376215840.db2.gz ANEDZRYGQDJVGI-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337375594 376215873 /nfs/dbraw/zinc/21/58/73/376215873.db2.gz ADUFQTPDTOEGLM-XHSDSOJGSA-N 1 3 264.457 3.277 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CCO1 ZINC000226571505 376365096 /nfs/dbraw/zinc/36/50/96/376365096.db2.gz LAEJBKBIACCVOW-ULQDDVLXSA-N 1 3 282.472 3.044 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918290 376375256 /nfs/dbraw/zinc/37/52/56/376375256.db2.gz IXLCQNZLBUFULZ-MAUKXSAKSA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918290 376375260 /nfs/dbraw/zinc/37/52/60/376375260.db2.gz IXLCQNZLBUFULZ-MAUKXSAKSA-N 1 3 272.436 3.378 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](c2ccc(C)cc2)C2CC2)C1 ZINC000226918290 376375263 /nfs/dbraw/zinc/37/52/63/376375263.db2.gz IXLCQNZLBUFULZ-MAUKXSAKSA-N 1 3 272.436 3.378 20 0 CGADHO FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000228339084 376436958 /nfs/dbraw/zinc/43/69/58/376436958.db2.gz ZXSKECKRHFDLFV-FRRDWIJNSA-N 1 3 278.362 3.229 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)C/C=C\c2ccc(F)cc2F)C1 ZINC000541773174 376480635 /nfs/dbraw/zinc/48/06/35/376480635.db2.gz QJTNKDOIAZSCQR-KXQLTZBTSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccc(F)cc2F)C1 ZINC000541773174 376480646 /nfs/dbraw/zinc/48/06/46/376480646.db2.gz QJTNKDOIAZSCQR-KXQLTZBTSA-N 1 3 294.389 3.252 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000229574303 376464453 /nfs/dbraw/zinc/46/44/53/376464453.db2.gz OEAZFAKKNUNPBW-ZBFHGGJFSA-N 1 3 278.415 3.077 20 0 CGADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000231676695 376564941 /nfs/dbraw/zinc/56/49/41/376564941.db2.gz NYKNIXJNKOFMHM-HZPDHXFCSA-N 1 3 284.488 3.149 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233516486 376597487 /nfs/dbraw/zinc/59/74/87/376597487.db2.gz ONJFPVVHLYCPLE-SJLPKXTDSA-N 1 3 274.452 3.358 20 0 CGADHO F[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000334329222 206377122 /nfs/dbraw/zinc/37/71/22/206377122.db2.gz NRCMSOSSEVNBJI-DZGCQCFKSA-N 1 3 268.420 3.264 20 0 CGADHO F[C@H]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000334329222 206377127 /nfs/dbraw/zinc/37/71/27/206377127.db2.gz NRCMSOSSEVNBJI-DZGCQCFKSA-N 1 3 268.420 3.264 20 0 CGADHO CCCC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CCC1 ZINC000544415819 376733697 /nfs/dbraw/zinc/73/36/97/376733697.db2.gz UOWUIVPOQJLZTC-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000237552588 376750974 /nfs/dbraw/zinc/75/09/74/376750974.db2.gz VMXJYEMDWLPNJX-BRWVUGGUSA-N 1 3 264.457 3.300 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000152920872 542110297 /nfs/dbraw/zinc/11/02/97/542110297.db2.gz CHCFOESPZQYGCX-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000152920872 542110299 /nfs/dbraw/zinc/11/02/99/542110299.db2.gz CHCFOESPZQYGCX-UXLLHSPISA-N 1 3 282.472 3.044 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690975 376880731 /nfs/dbraw/zinc/88/07/31/376880731.db2.gz BLKLOVAGGATWFR-UONOGXRCSA-N 1 3 266.454 3.219 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690975 376880737 /nfs/dbraw/zinc/88/07/37/376880737.db2.gz BLKLOVAGGATWFR-UONOGXRCSA-N 1 3 266.454 3.219 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000340458872 377072595 /nfs/dbraw/zinc/07/25/95/377072595.db2.gz BLTOAYJKSBICOK-JSGCOSHPSA-N 1 3 267.417 3.144 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000246966880 377128835 /nfs/dbraw/zinc/12/88/35/377128835.db2.gz IWNDLBVKRGWIKP-CVEARBPZSA-N 1 3 292.471 3.208 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000246966880 377128842 /nfs/dbraw/zinc/12/88/42/377128842.db2.gz IWNDLBVKRGWIKP-CVEARBPZSA-N 1 3 292.471 3.208 20 0 CGADHO CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000247081946 377155202 /nfs/dbraw/zinc/15/52/02/377155202.db2.gz QLYGJKFYNIAIML-DOTOQJQBSA-N 1 3 290.451 3.247 20 0 CGADHO CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000247081946 377155210 /nfs/dbraw/zinc/15/52/10/377155210.db2.gz QLYGJKFYNIAIML-DOTOQJQBSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000247180924 377171709 /nfs/dbraw/zinc/17/17/09/377171709.db2.gz VGLGASVXXCNEOW-JFIYKMOQSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000247183496 377172466 /nfs/dbraw/zinc/17/24/66/377172466.db2.gz UXUKUIOPRARSND-BBRMVZONSA-N 1 3 264.388 3.160 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000247183496 377172472 /nfs/dbraw/zinc/17/24/72/377172472.db2.gz UXUKUIOPRARSND-BBRMVZONSA-N 1 3 264.388 3.160 20 0 CGADHO CC[N@@H+]1CC[C@H](NC[C@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000247208869 377177625 /nfs/dbraw/zinc/17/76/25/377177625.db2.gz VPSOFGHLJSQZCO-BQFCYCMXSA-N 1 3 290.451 3.082 20 0 CGADHO CC[N@H+]1CC[C@H](NC[C@H](C)Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000247208869 377177628 /nfs/dbraw/zinc/17/76/28/377177628.db2.gz VPSOFGHLJSQZCO-BQFCYCMXSA-N 1 3 290.451 3.082 20 0 CGADHO c1ccc(CN2CCC[C@@H]3C[N@H+](CC4CC4)CC[C@H]32)cc1 ZINC000247946643 377247849 /nfs/dbraw/zinc/24/78/49/377247849.db2.gz DOTFHGKDWRWHOM-RTBURBONSA-N 1 3 284.447 3.383 20 0 CGADHO c1ccc(CN2CCC[C@@H]3C[N@@H+](CC4CC4)CC[C@H]32)cc1 ZINC000247946643 377247855 /nfs/dbraw/zinc/24/78/55/377247855.db2.gz DOTFHGKDWRWHOM-RTBURBONSA-N 1 3 284.447 3.383 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](C)c1ccccc1 ZINC000161592921 542159931 /nfs/dbraw/zinc/15/99/31/542159931.db2.gz KWODFYLHHKAMDQ-CYGHRXIMSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](C)c1ccccc1 ZINC000161592921 542159935 /nfs/dbraw/zinc/15/99/35/542159935.db2.gz KWODFYLHHKAMDQ-CYGHRXIMSA-N 1 3 272.436 3.395 20 0 CGADHO Cc1cscc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000562338874 377298252 /nfs/dbraw/zinc/29/82/52/377298252.db2.gz IBFGAYNGUKOCSR-UHFFFAOYSA-N 1 3 264.438 3.021 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H](C)c1ccccc1 ZINC000161592921 542159938 /nfs/dbraw/zinc/15/99/38/542159938.db2.gz KWODFYLHHKAMDQ-CYGHRXIMSA-N 1 3 272.436 3.395 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580167 377354163 /nfs/dbraw/zinc/35/41/63/377354163.db2.gz OIRRCODOLCBIPR-SJLPKXTDSA-N 1 3 274.452 3.139 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000248580167 377354173 /nfs/dbraw/zinc/35/41/73/377354173.db2.gz OIRRCODOLCBIPR-SJLPKXTDSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](C)Cc2ccccc2)C1 ZINC000248580167 377354184 /nfs/dbraw/zinc/35/41/84/377354184.db2.gz OIRRCODOLCBIPR-SJLPKXTDSA-N 1 3 274.452 3.139 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)Cc2ccccc2)C1 ZINC000248580167 377354191 /nfs/dbraw/zinc/35/41/91/377354191.db2.gz OIRRCODOLCBIPR-SJLPKXTDSA-N 1 3 274.452 3.139 20 0 CGADHO Cc1ccc(C[C@H]2CCCN(C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000563137726 377407793 /nfs/dbraw/zinc/40/77/93/377407793.db2.gz LMQDXVVBJFBOJC-RTBURBONSA-N 1 3 286.463 3.249 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166540587 542175385 /nfs/dbraw/zinc/17/53/85/542175385.db2.gz QWKSEMJFIMOGEQ-IAGOWNOFSA-N 1 3 297.446 3.317 20 0 CGADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166540587 542175389 /nfs/dbraw/zinc/17/53/89/542175389.db2.gz QWKSEMJFIMOGEQ-IAGOWNOFSA-N 1 3 297.446 3.317 20 0 CGADHO Cc1cccc2c(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166694494 542175911 /nfs/dbraw/zinc/17/59/11/542175911.db2.gz NNRKQIOCZRNHGM-IAGOWNOFSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2c(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c[nH]c21 ZINC000166694494 542175915 /nfs/dbraw/zinc/17/59/15/542175915.db2.gz NNRKQIOCZRNHGM-IAGOWNOFSA-N 1 3 297.446 3.235 20 0 CGADHO CCC[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000469988532 249164724 /nfs/dbraw/zinc/16/47/24/249164724.db2.gz BWZHSDSFMRKFQY-UAGQMJEPSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000469988532 249164726 /nfs/dbraw/zinc/16/47/26/249164726.db2.gz BWZHSDSFMRKFQY-UAGQMJEPSA-N 1 3 260.425 3.239 20 0 CGADHO CCC[C@H](C[N@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000469988532 249164727 /nfs/dbraw/zinc/16/47/27/249164727.db2.gz BWZHSDSFMRKFQY-UAGQMJEPSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477709 249167993 /nfs/dbraw/zinc/16/79/93/249167993.db2.gz QUDKKKPVUTTXRY-AEFFLSMTSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000472477709 249167996 /nfs/dbraw/zinc/16/79/96/249167996.db2.gz QUDKKKPVUTTXRY-AEFFLSMTSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477709 249167998 /nfs/dbraw/zinc/16/79/98/249167998.db2.gz QUDKKKPVUTTXRY-AEFFLSMTSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1)c1ccccc1 ZINC000472477709 249168002 /nfs/dbraw/zinc/16/80/02/249168002.db2.gz QUDKKKPVUTTXRY-AEFFLSMTSA-N 1 3 286.463 3.454 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC2CCCC2)C1 ZINC000516685570 249241404 /nfs/dbraw/zinc/24/14/04/249241404.db2.gz ANBVNOQKIWPTLR-ZBFHGGJFSA-N 1 3 252.446 3.275 20 0 CGADHO C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CCCC1 ZINC000251473647 377582871 /nfs/dbraw/zinc/58/28/71/377582871.db2.gz WBSSPXSHBCTTQT-OAGGEKHMSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1ccccc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000515846321 249222187 /nfs/dbraw/zinc/22/21/87/249222187.db2.gz RODYAKSSJKBAGG-CQSZACIVSA-N 1 3 254.377 3.305 20 0 CGADHO Cc1cc(CC[NH2+][C@@H]2CCC[C@H](N)C2)ccc1Cl ZINC000516193929 249228157 /nfs/dbraw/zinc/22/81/57/249228157.db2.gz SYFSSCXZBOUGBC-UONOGXRCSA-N 1 3 266.816 3.050 20 0 CGADHO Cc1cc(CCN[C@@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000516193929 249228158 /nfs/dbraw/zinc/22/81/58/249228158.db2.gz SYFSSCXZBOUGBC-UONOGXRCSA-N 1 3 266.816 3.050 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000518397835 249280740 /nfs/dbraw/zinc/28/07/40/249280740.db2.gz WJGWQKSVVRSZDX-JKSUJKDBSA-N 1 3 276.424 3.048 20 0 CGADHO C[C@H]1CN(Cc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000251911016 377604810 /nfs/dbraw/zinc/60/48/10/377604810.db2.gz XEKIYBROZADAQJ-SUMWQHHRSA-N 1 3 254.377 3.009 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252740860 377661607 /nfs/dbraw/zinc/66/16/07/377661607.db2.gz KDIZDFQHUPERKI-MLGOLLRUSA-N 1 3 272.392 3.171 20 0 CGADHO Cc1oc2ccccc2c1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252740860 377661617 /nfs/dbraw/zinc/66/16/17/377661617.db2.gz KDIZDFQHUPERKI-MLGOLLRUSA-N 1 3 272.392 3.171 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253199663 377679729 /nfs/dbraw/zinc/67/97/29/377679729.db2.gz WOLWMBAXTNVAAY-XNRPHZJLSA-N 1 3 264.388 3.194 20 0 CGADHO CC(C)=CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000253353166 377684636 /nfs/dbraw/zinc/68/46/36/377684636.db2.gz SGGHYTHDNWXKCM-GUDVDZBRSA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000253353166 377684643 /nfs/dbraw/zinc/68/46/43/377684643.db2.gz SGGHYTHDNWXKCM-GUDVDZBRSA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000253353166 377684648 /nfs/dbraw/zinc/68/46/48/377684648.db2.gz SGGHYTHDNWXKCM-GUDVDZBRSA-N 1 3 284.447 3.453 20 0 CGADHO CCc1nc2ccccc2c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000575239119 377764766 /nfs/dbraw/zinc/76/47/66/377764766.db2.gz NZXCTVAFEZVWDG-GASCZTMLSA-N 1 3 295.430 3.103 20 0 CGADHO CCc1nc2ccccc2c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000575239119 377764770 /nfs/dbraw/zinc/76/47/70/377764770.db2.gz NZXCTVAFEZVWDG-GASCZTMLSA-N 1 3 295.430 3.103 20 0 CGADHO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCCNC2)cc1 ZINC000261630973 377828442 /nfs/dbraw/zinc/82/84/42/377828442.db2.gz CNLPRNWHKLNVFI-OQIJWPOYSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCNC2)cc1 ZINC000261630973 377828449 /nfs/dbraw/zinc/82/84/49/377828449.db2.gz CNLPRNWHKLNVFI-OQIJWPOYSA-N 1 3 284.447 3.397 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000261694432 377838556 /nfs/dbraw/zinc/83/85/56/377838556.db2.gz HZJVFLYLCDUDFH-JKIFEVAISA-N 1 3 276.424 3.122 20 0 CGADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000342932220 377863850 /nfs/dbraw/zinc/86/38/50/377863850.db2.gz YJSJBMRDBGWDAY-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000342932220 377863860 /nfs/dbraw/zinc/86/38/60/377863860.db2.gz YJSJBMRDBGWDAY-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000342932220 377863866 /nfs/dbraw/zinc/86/38/66/377863866.db2.gz YJSJBMRDBGWDAY-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cccc(C)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000342932220 377863872 /nfs/dbraw/zinc/86/38/72/377863872.db2.gz YJSJBMRDBGWDAY-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000261941769 377871900 /nfs/dbraw/zinc/87/19/00/377871900.db2.gz DTEVYZFTAWYMLH-NXHRZFHOSA-N 1 3 272.436 3.112 20 0 CGADHO CC[NH2+]CC1CCN(Cc2c(F)cccc2CC)CC1 ZINC000261976571 377873798 /nfs/dbraw/zinc/87/37/98/377873798.db2.gz QWJSKNWTOTUZAT-UHFFFAOYSA-N 1 3 278.415 3.210 20 0 CGADHO CC[N@H+](C[C@H](C)c1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000261994128 377876308 /nfs/dbraw/zinc/87/63/08/377876308.db2.gz SSIRUBKUGQTDGG-WMLDXEAASA-N 1 3 278.415 3.393 20 0 CGADHO CC[N@@H+](C[C@H](C)c1ccc(F)cc1)[C@@H]1CCCNCC1 ZINC000261994128 377876313 /nfs/dbraw/zinc/87/63/13/377876313.db2.gz SSIRUBKUGQTDGG-WMLDXEAASA-N 1 3 278.415 3.393 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261985317 377876721 /nfs/dbraw/zinc/87/67/21/377876721.db2.gz JRMXENBKVYKHII-QZTJIDSGSA-N 1 3 288.435 3.004 20 0 CGADHO C[NH2+]CCC1CCN(Cc2ccccc2OC(C)C)CC1 ZINC000262022089 377880137 /nfs/dbraw/zinc/88/01/37/377880137.db2.gz YFZYPNDXRFEBRA-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H](C)N(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262028304 377880442 /nfs/dbraw/zinc/88/04/42/377880442.db2.gz NSNBRVBRSHTTGY-LZLYRXPVSA-N 1 3 272.436 3.172 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@](C)(C[NH3+])C1 ZINC000261805654 377855916 /nfs/dbraw/zinc/85/59/16/377855916.db2.gz OKVJGCFDLTYECU-QGZVFWFLSA-N 1 3 272.392 3.166 20 0 CGADHO CCc1oc2ccccc2c1C[N@@H+]1CC[C@](C)(CN)C1 ZINC000261805654 377855918 /nfs/dbraw/zinc/85/59/18/377855918.db2.gz OKVJGCFDLTYECU-QGZVFWFLSA-N 1 3 272.392 3.166 20 0 CGADHO CCc1oc2ccccc2c1C[N@H+]1CC[C@](C)(CN)C1 ZINC000261805654 377855922 /nfs/dbraw/zinc/85/59/22/377855922.db2.gz OKVJGCFDLTYECU-QGZVFWFLSA-N 1 3 272.392 3.166 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000265976744 190220244 /nfs/dbraw/zinc/22/02/44/190220244.db2.gz BYRAVGNFMFSXSQ-HZPDHXFCSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc(C)c1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000265976744 190220245 /nfs/dbraw/zinc/22/02/45/190220245.db2.gz BYRAVGNFMFSXSQ-HZPDHXFCSA-N 1 3 260.425 3.218 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2COc3ccccc32)CC1 ZINC000343934798 378137320 /nfs/dbraw/zinc/13/73/20/378137320.db2.gz OKPZMTVUEIFBFI-AWEZNQCLSA-N 1 3 288.435 3.015 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000343934798 378137322 /nfs/dbraw/zinc/13/73/22/378137322.db2.gz OKPZMTVUEIFBFI-AWEZNQCLSA-N 1 3 288.435 3.015 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000579181203 378137983 /nfs/dbraw/zinc/13/79/83/378137983.db2.gz WBEWMSCRFUBNCJ-MRXNPFEDSA-N 1 3 286.463 3.065 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000579181203 378137988 /nfs/dbraw/zinc/13/79/88/378137988.db2.gz WBEWMSCRFUBNCJ-MRXNPFEDSA-N 1 3 286.463 3.065 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000579181203 378137999 /nfs/dbraw/zinc/13/79/99/378137999.db2.gz WBEWMSCRFUBNCJ-MRXNPFEDSA-N 1 3 286.463 3.065 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CC2Cc3ccccc3C2)C1 ZINC000579181203 378138006 /nfs/dbraw/zinc/13/80/06/378138006.db2.gz WBEWMSCRFUBNCJ-MRXNPFEDSA-N 1 3 286.463 3.065 20 0 CGADHO CCc1cccc(OCCN(CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000345174997 378213247 /nfs/dbraw/zinc/21/32/47/378213247.db2.gz DQAZRHIANWGRRU-KRWDZBQOSA-N 1 3 290.451 3.092 20 0 CGADHO CCN(CCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000345189750 378218844 /nfs/dbraw/zinc/21/88/44/378218844.db2.gz MYZBUQIOXAGJLO-HNNXBMFYSA-N 1 3 296.842 3.183 20 0 CGADHO C[C@H]1CSC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695296 378184512 /nfs/dbraw/zinc/18/45/12/378184512.db2.gz ODGADTUNCRVLMM-OHFALNGGSA-N 1 3 296.524 3.371 20 0 CGADHO C[C@H]1CSC[C@@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000579695296 378184515 /nfs/dbraw/zinc/18/45/15/378184515.db2.gz ODGADTUNCRVLMM-OHFALNGGSA-N 1 3 296.524 3.371 20 0 CGADHO Cc1ccc2c(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269997294 378292727 /nfs/dbraw/zinc/29/27/27/378292727.db2.gz WYPGTBQTHLZNQY-SJORKVTESA-N 1 3 297.446 3.235 20 0 CGADHO Cc1ccc2c(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c[nH]c2c1 ZINC000269997294 378292735 /nfs/dbraw/zinc/29/27/35/378292735.db2.gz WYPGTBQTHLZNQY-SJORKVTESA-N 1 3 297.446 3.235 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000582074960 378283811 /nfs/dbraw/zinc/28/38/11/378283811.db2.gz BUXQSWCZJGUESL-CQSZACIVSA-N 1 3 264.457 3.277 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000580702170 378250260 /nfs/dbraw/zinc/25/02/60/378250260.db2.gz KDFCDNSZJVVWEO-IRXDYDNUSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1cccc(C)c1OCCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580702170 378250262 /nfs/dbraw/zinc/25/02/62/378250262.db2.gz KDFCDNSZJVVWEO-IRXDYDNUSA-N 1 3 290.451 3.050 20 0 CGADHO c1ncc(C[NH+]2C3CCC2CC3)cc1CN1C2CCC1CC2 ZINC000583674501 378338864 /nfs/dbraw/zinc/33/88/64/378338864.db2.gz MNAXRUZNKWQJLX-UHFFFAOYSA-N 1 3 297.446 3.335 20 0 CGADHO CSCc1cc(F)ccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565609882 322084081 /nfs/dbraw/zinc/08/40/81/322084081.db2.gz SGNJRZQKVRRJRX-LSDHHAIUSA-N 1 3 282.428 3.048 20 0 CGADHO c1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346859629 378694444 /nfs/dbraw/zinc/69/44/44/378694444.db2.gz SXKINRPSUNMFFC-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000346859629 378694448 /nfs/dbraw/zinc/69/44/48/378694448.db2.gz SXKINRPSUNMFFC-MSOLQXFVSA-N 1 3 272.436 3.083 20 0 CGADHO Cn1c(CN2CCC(CC[NH+](C)C)CC2)cc2ccccc21 ZINC000637963671 378648994 /nfs/dbraw/zinc/64/89/94/378648994.db2.gz AMDRPILIJNIWNC-UHFFFAOYSA-N 1 3 299.462 3.342 20 0 CGADHO C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346989835 378703538 /nfs/dbraw/zinc/70/35/38/378703538.db2.gz SDZSCUJGAVIIBW-CKEIUWERSA-N 1 3 276.399 3.208 20 0 CGADHO Cn1c(C[NH2+]C2CCN(C3CCC3)CC2)cc2ccccc21 ZINC000638427646 378799862 /nfs/dbraw/zinc/79/98/62/378799862.db2.gz WRKIDLKPCPHNNZ-UHFFFAOYSA-N 1 3 297.446 3.285 20 0 CGADHO CC(C)[C@H](CNCCC[C@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349556 378774989 /nfs/dbraw/zinc/77/49/89/378774989.db2.gz QBARLMOJBKBUKM-IRXDYDNUSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccsc1[C@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278509254 194017967 /nfs/dbraw/zinc/01/79/67/194017967.db2.gz MBHUJSJIKCRRDB-GJZGRUSLSA-N 1 3 296.480 3.208 20 0 CGADHO Cc1ccsc1[C@H](C)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278509254 194017970 /nfs/dbraw/zinc/01/79/70/194017970.db2.gz MBHUJSJIKCRRDB-GJZGRUSLSA-N 1 3 296.480 3.208 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638566155 378836888 /nfs/dbraw/zinc/83/68/88/378836888.db2.gz CABMGVOAHSHWJQ-WCXIOVBPSA-N 1 3 264.457 3.133 20 0 CGADHO Cc1cc(CN2CCC([C@H](C)[NH3+])CC2)ccc1Cl ZINC000347175469 218145216 /nfs/dbraw/zinc/14/52/16/218145216.db2.gz POSIVGZPMGJWQF-LBPRGKRZSA-N 1 3 266.816 3.208 20 0 CGADHO CCC[C@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000347180593 218146669 /nfs/dbraw/zinc/14/66/69/218146669.db2.gz UZOBCJQRJZHKOD-DOTOQJQBSA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000347180593 218146670 /nfs/dbraw/zinc/14/66/70/218146670.db2.gz UZOBCJQRJZHKOD-DOTOQJQBSA-N 1 3 260.425 3.241 20 0 CGADHO CCC[C@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347180593 218146673 /nfs/dbraw/zinc/14/66/73/218146673.db2.gz UZOBCJQRJZHKOD-DOTOQJQBSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CCCNC1 ZINC000567723928 322174744 /nfs/dbraw/zinc/17/47/44/322174744.db2.gz CKWHNAPHCMQPPD-AAVRWANBSA-N 1 3 292.389 3.333 20 0 CGADHO CCN(CC)CCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000347314932 218187315 /nfs/dbraw/zinc/18/73/15/218187315.db2.gz BLRIUEAXHKBFJF-MRXNPFEDSA-N 1 3 262.441 3.187 20 0 CGADHO C[C@@H](NC1CC(F)(F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000277170047 379088637 /nfs/dbraw/zinc/08/86/37/379088637.db2.gz RVSBOXMBSQCGBL-GFCCVEGCSA-N 1 3 298.377 3.075 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277205885 379097787 /nfs/dbraw/zinc/09/77/87/379097787.db2.gz MXXUVNRTTCZUPV-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277205885 379097792 /nfs/dbraw/zinc/09/77/92/379097792.db2.gz MXXUVNRTTCZUPV-QGZVFWFLSA-N 1 3 260.425 3.165 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246330357 804285370 /nfs/dbraw/zinc/28/53/70/804285370.db2.gz YCXKVNRVNVBLCR-ZJUUUORDSA-N 1 3 275.223 3.109 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4ncccc34)C2)C1 ZINC000639207765 379140126 /nfs/dbraw/zinc/14/01/26/379140126.db2.gz KPFOTVVOSHJKJT-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc4ncccc34)C2)C1 ZINC000639207765 379140135 /nfs/dbraw/zinc/14/01/35/379140135.db2.gz KPFOTVVOSHJKJT-LJQANCHMSA-N 1 3 295.430 3.153 20 0 CGADHO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277601295 379197752 /nfs/dbraw/zinc/19/77/52/379197752.db2.gz VRCMSCTXNXLBKO-NVXWUHKLSA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277601295 379197759 /nfs/dbraw/zinc/19/77/59/379197759.db2.gz VRCMSCTXNXLBKO-NVXWUHKLSA-N 1 3 290.451 3.215 20 0 CGADHO COc1ccc([C@H](C)CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277601295 379197765 /nfs/dbraw/zinc/19/77/65/379197765.db2.gz VRCMSCTXNXLBKO-NVXWUHKLSA-N 1 3 290.451 3.215 20 0 CGADHO CCc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000373469917 379284653 /nfs/dbraw/zinc/28/46/53/379284653.db2.gz PMSMXTOGFKOJSG-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCSc1cccc(C[NH2+][C@H](C)CCN(C)C)c1 ZINC000349663101 379335813 /nfs/dbraw/zinc/33/58/13/379335813.db2.gz CCEFFMZHQZQXOP-CYBMUJFWSA-N 1 3 266.454 3.228 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683511 379545796 /nfs/dbraw/zinc/54/57/96/379545796.db2.gz IOUGUISQMJVQJO-IBGZPJMESA-N 1 3 293.414 3.281 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683511 379545802 /nfs/dbraw/zinc/54/58/02/379545802.db2.gz IOUGUISQMJVQJO-IBGZPJMESA-N 1 3 293.414 3.281 20 0 CGADHO FC1(F)CC[C@H](C[N@@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684489 379546188 /nfs/dbraw/zinc/54/61/88/379546188.db2.gz VSIMCMAHFHLNLE-AWEZNQCLSA-N 1 3 295.377 3.029 20 0 CGADHO FC1(F)CC[C@H](C[N@H+]2CCCN(c3ccncc3)CC2)C1 ZINC000639684489 379546199 /nfs/dbraw/zinc/54/61/99/379546199.db2.gz VSIMCMAHFHLNLE-AWEZNQCLSA-N 1 3 295.377 3.029 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733883 379504073 /nfs/dbraw/zinc/50/40/73/379504073.db2.gz NWVYTZHGXTURSU-LZLYRXPVSA-N 1 3 290.451 3.084 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733883 379504078 /nfs/dbraw/zinc/50/40/78/379504078.db2.gz NWVYTZHGXTURSU-LZLYRXPVSA-N 1 3 290.451 3.084 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279733883 379504091 /nfs/dbraw/zinc/50/40/91/379504091.db2.gz NWVYTZHGXTURSU-LZLYRXPVSA-N 1 3 290.451 3.084 20 0 CGADHO Cc1ccc(CCC[N@H+](CCCN)CC2CCCC2)cn1 ZINC000352526485 379844287 /nfs/dbraw/zinc/84/42/87/379844287.db2.gz OBQWLGPMNIIJFD-UHFFFAOYSA-N 1 3 289.467 3.164 20 0 CGADHO Cc1ccc(CCC[N@@H+](CCCN)CC2CCCC2)cn1 ZINC000352526485 379844292 /nfs/dbraw/zinc/84/42/92/379844292.db2.gz OBQWLGPMNIIJFD-UHFFFAOYSA-N 1 3 289.467 3.164 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CCC34CCC4)CC2)ccn1 ZINC000281980685 379849477 /nfs/dbraw/zinc/84/94/77/379849477.db2.gz BXVOVVXIAJLTKB-QGZVFWFLSA-N 1 3 285.435 3.220 20 0 CGADHO CC(C)[C@H](CNC1CC(OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000352568299 379861155 /nfs/dbraw/zinc/86/11/55/379861155.db2.gz XQYBVNZLMKDUNI-GPANFISMSA-N 1 3 282.472 3.043 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)CC(F)(F)F ZINC000402720807 379971789 /nfs/dbraw/zinc/97/17/89/379971789.db2.gz XWJVACGAPHAUJZ-SDDRHHMPSA-N 1 3 266.351 3.072 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000352751418 379938188 /nfs/dbraw/zinc/93/81/88/379938188.db2.gz VJRXBTVXUUONSV-CVEARBPZSA-N 1 3 272.392 3.395 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000284376997 380139569 /nfs/dbraw/zinc/13/95/69/380139569.db2.gz OOIMKGNKPJFEFI-IBGZPJMESA-N 1 3 284.447 3.168 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC000410415838 380093836 /nfs/dbraw/zinc/09/38/36/380093836.db2.gz XLMABJGVXOEWSN-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC000410415838 380093837 /nfs/dbraw/zinc/09/38/37/380093837.db2.gz XLMABJGVXOEWSN-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO Cc1ccc(CCC[NH2+]CCCN2CCCC[C@@H]2C)cn1 ZINC000353945810 380247823 /nfs/dbraw/zinc/24/78/23/380247823.db2.gz RXTIELCMMCEMKV-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccc(CCCNCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000353945810 380247828 /nfs/dbraw/zinc/24/78/28/380247828.db2.gz RXTIELCMMCEMKV-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccc(CCCNCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000353945810 380247831 /nfs/dbraw/zinc/24/78/31/380247831.db2.gz RXTIELCMMCEMKV-KRWDZBQOSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1nc([C@H](C)NC2CCC([NH+](C)C)CC2)c(C)s1 ZINC000643296095 380263781 /nfs/dbraw/zinc/26/37/81/380263781.db2.gz WRIMNXKGIQKRBM-FNBIGBAISA-N 1 3 281.469 3.283 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C[C@H]1CCCCN1 ZINC000643502701 380326329 /nfs/dbraw/zinc/32/63/29/380326329.db2.gz OKUIGUFVCGHEJP-CXAGYDPISA-N 1 3 283.419 3.277 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCCNCC2)C2CC2)cc1 ZINC000643521951 380337105 /nfs/dbraw/zinc/33/71/05/380337105.db2.gz FTDPQFAKZQNUOW-MSOLQXFVSA-N 1 3 272.436 3.048 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000643458309 380310061 /nfs/dbraw/zinc/31/00/61/380310061.db2.gz HJVWOFJZCIIVHK-IRXDYDNUSA-N 1 3 260.425 3.116 20 0 CGADHO CC[C@@H](NCC1C[NH2+]C1)c1cccc2ccccc21 ZINC000643516124 380336324 /nfs/dbraw/zinc/33/63/24/380336324.db2.gz LOWGEZABYHKOGL-QGZVFWFLSA-N 1 3 254.377 3.100 20 0 CGADHO CC[C@@H]([NH2+]CC1CNC1)c1cccc2ccccc21 ZINC000643516124 380336326 /nfs/dbraw/zinc/33/63/26/380336326.db2.gz LOWGEZABYHKOGL-QGZVFWFLSA-N 1 3 254.377 3.100 20 0 CGADHO CC(C)(CC[NH2+][C@H]1CCC[C@H]1CN)c1ccccc1 ZINC000643463533 380311789 /nfs/dbraw/zinc/31/17/89/380311789.db2.gz BGOVVBDHBLUHMX-HOCLYGCPSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCC(F)(F)CC1 ZINC000643548005 380363461 /nfs/dbraw/zinc/36/34/61/380363461.db2.gz LQMPPHCKYFGIRD-GXTWGEPZSA-N 1 3 286.410 3.465 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643548707 380365153 /nfs/dbraw/zinc/36/51/53/380365153.db2.gz UBPZQOQHOQWFIG-BGTYHANMSA-N 1 3 284.447 3.443 20 0 CGADHO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548888 380365279 /nfs/dbraw/zinc/36/52/79/380365279.db2.gz WZOZGNPRFXQYOE-RRFJBIMHSA-N 1 3 268.420 3.169 20 0 CGADHO CC[N@H+](CC1CCC(C)CC1)[C@H]1CCCNCC1 ZINC000414720441 380387801 /nfs/dbraw/zinc/38/78/01/380387801.db2.gz YMEGTDIZWPZTMF-GPANFISMSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](CC1CCC(C)CC1)[C@H]1CCCNCC1 ZINC000414720441 380387807 /nfs/dbraw/zinc/38/78/07/380387807.db2.gz YMEGTDIZWPZTMF-GPANFISMSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H]1C[C@H](CN(C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756405 380392853 /nfs/dbraw/zinc/39/28/53/380392853.db2.gz QRGBXQGIBLEIBF-NWDGAFQWSA-N 1 3 284.806 3.299 20 0 CGADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1cc2c(s1)CCCC2 ZINC000643522300 380339332 /nfs/dbraw/zinc/33/93/32/380339332.db2.gz LGEDGAWDDDBVAN-JSGCOSHPSA-N 1 3 278.465 3.420 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000643522853 380339766 /nfs/dbraw/zinc/33/97/66/380339766.db2.gz SZYGBUJRYXPYHA-IXDOHACOSA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@H]([NH2+][C@@H]2CCCNCC2)C[C@H]1c1ccccc1 ZINC000643522853 380339775 /nfs/dbraw/zinc/33/97/75/380339775.db2.gz SZYGBUJRYXPYHA-IXDOHACOSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H]([NH3+])CN[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000643527088 380343006 /nfs/dbraw/zinc/34/30/06/380343006.db2.gz CVXLEVQMJWELAH-GJZGRUSLSA-N 1 3 268.404 3.144 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H](C)N)c1ccc(C(F)(F)F)cc1 ZINC000643528105 380345236 /nfs/dbraw/zinc/34/52/36/380345236.db2.gz ZOOWOXZWICIIQO-MFKMUULPSA-N 1 3 274.330 3.339 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000643534532 380349610 /nfs/dbraw/zinc/34/96/10/380349610.db2.gz XIWGSVWTWXFQMK-MWLCHTKSSA-N 1 3 270.829 3.194 20 0 CGADHO Cc1ccc([C@@H](N[C@@H]2CC23CC[NH2+]CC3)C2CCC2)o1 ZINC000643535504 380351171 /nfs/dbraw/zinc/35/11/71/380351171.db2.gz MZXTUDHRIVYICM-CVEARBPZSA-N 1 3 274.408 3.161 20 0 CGADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546615 380360808 /nfs/dbraw/zinc/36/08/08/380360808.db2.gz RTEFRBIVEVKXNJ-HUUCEWRRSA-N 1 3 258.409 3.320 20 0 CGADHO Fc1cccc(Cl)c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771765 380397287 /nfs/dbraw/zinc/39/72/87/380397287.db2.gz AMRHQRGEAKPIOL-OLZOCXBDSA-N 1 3 296.817 3.301 20 0 CGADHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000414812055 380423587 /nfs/dbraw/zinc/42/35/87/380423587.db2.gz QQLLZKYQSQQKFD-LBPRGKRZSA-N 1 3 288.366 3.144 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414815020 380425689 /nfs/dbraw/zinc/42/56/89/380425689.db2.gz ZTLJOOWDBKKXDW-UKPHBRMFSA-N 1 3 278.415 3.254 20 0 CGADHO C[C@@H]([NH2+]CCCc1c(F)cccc1Cl)[C@H]1CCCNC1 ZINC000414819979 380430688 /nfs/dbraw/zinc/43/06/88/380430688.db2.gz ITDBRRDYCJOYFW-OLZOCXBDSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@@H](NCCCc1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000414819979 380430695 /nfs/dbraw/zinc/43/06/95/380430695.db2.gz ITDBRRDYCJOYFW-OLZOCXBDSA-N 1 3 298.833 3.389 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)[C@@H]1CCCNC1 ZINC000414821747 380432757 /nfs/dbraw/zinc/43/27/57/380432757.db2.gz LRMIMJNGTNYBOX-GDAAHCPNSA-N 1 3 286.463 3.376 20 0 CGADHO CCC[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414841990 380447442 /nfs/dbraw/zinc/44/74/42/380447442.db2.gz ZVKGYQAHALUGHC-XNHLSEOASA-N 1 3 272.436 3.270 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)c1cccc(Cl)c1 ZINC000414857044 380458243 /nfs/dbraw/zinc/45/82/43/380458243.db2.gz OSZNKFHMWSWTGU-CHWSQXEVSA-N 1 3 266.816 3.033 20 0 CGADHO C[C@H](CNC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000414857044 380458247 /nfs/dbraw/zinc/45/82/47/380458247.db2.gz OSZNKFHMWSWTGU-CHWSQXEVSA-N 1 3 266.816 3.033 20 0 CGADHO Clc1csc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414774723 380398240 /nfs/dbraw/zinc/39/82/40/380398240.db2.gz FUXSQKPBOKTXLS-RYUDHWBXSA-N 1 3 284.856 3.223 20 0 CGADHO Clc1ccsc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414772799 380399046 /nfs/dbraw/zinc/39/90/46/380399046.db2.gz CMJFDPHOGWQIET-VXGBXAGGSA-N 1 3 284.856 3.223 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780326 380401061 /nfs/dbraw/zinc/40/10/61/380401061.db2.gz LIINAJDPQBUQAL-ZIAGYGMSSA-N 1 3 296.817 3.301 20 0 CGADHO CC1(c2ccccc2)CCC([NH2+]C2CCNCC2)CC1 ZINC000414792690 380409387 /nfs/dbraw/zinc/40/93/87/380409387.db2.gz SRTMKISLFWMARM-UHFFFAOYSA-N 1 3 272.436 3.229 20 0 CGADHO CCC([NH3+])(CC)CNC[C@H](C)c1ccc(F)cc1 ZINC000414803918 380416041 /nfs/dbraw/zinc/41/60/41/380416041.db2.gz DFGIIQVJFSZPJI-LBPRGKRZSA-N 1 3 252.377 3.036 20 0 CGADHO CCCC[C@@H](CN)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414806459 380418491 /nfs/dbraw/zinc/41/84/91/380418491.db2.gz BTHIYFJZDGLIFE-ZDUSSCGKSA-N 1 3 292.320 3.452 20 0 CGADHO COc1ccc2ccccc2c1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414909839 380486084 /nfs/dbraw/zinc/48/60/84/380486084.db2.gz CNANDKSNNVAMHS-HUUCEWRRSA-N 1 3 284.403 3.208 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2csc3ccccc23)C1 ZINC000414930094 380493943 /nfs/dbraw/zinc/49/39/43/380493943.db2.gz SLQCHFGCAQBYQM-QWHCGFSZSA-N 1 3 260.406 3.261 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C)c1cccc(Cl)c1 ZINC000414937686 380498500 /nfs/dbraw/zinc/49/85/00/380498500.db2.gz IANVCKTZVVJLCQ-TYNCELHUSA-N 1 3 266.816 3.031 20 0 CGADHO CC[C@@H]([NH3+])CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414984234 380504174 /nfs/dbraw/zinc/50/41/74/380504174.db2.gz FZZGDTYTMSCBBX-ZWNOBZJWSA-N 1 3 274.330 3.136 20 0 CGADHO CNCCC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000414860760 380461550 /nfs/dbraw/zinc/46/15/50/380461550.db2.gz QMXAGMRUXKNFIF-USXIJHARSA-N 1 3 260.425 3.158 20 0 CGADHO C[NH2+]CCCN[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000414860760 380461556 /nfs/dbraw/zinc/46/15/56/380461556.db2.gz QMXAGMRUXKNFIF-USXIJHARSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H](NCc1csc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000414863858 380462995 /nfs/dbraw/zinc/46/29/95/380462995.db2.gz YIHULSGAZXECED-OLZOCXBDSA-N 1 3 274.433 3.379 20 0 CGADHO Cc1ccc(CCC[NH2+]CC[C@@H](C)N2CCCCC2)cn1 ZINC000354658552 380518603 /nfs/dbraw/zinc/51/86/03/380518603.db2.gz JHWFYFXGPSSFTE-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO Cc1ccc(CCCNCC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000354658552 380518608 /nfs/dbraw/zinc/51/86/08/380518608.db2.gz JHWFYFXGPSSFTE-QGZVFWFLSA-N 1 3 289.467 3.177 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000414875532 380470781 /nfs/dbraw/zinc/47/07/81/380470781.db2.gz JULPTEMDIQAIJW-ZLDLUXBVSA-N 1 3 266.816 3.161 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414880453 380471730 /nfs/dbraw/zinc/47/17/30/380471730.db2.gz QRLHIEDFWYRGFP-HYVNUMGLSA-N 1 3 260.425 3.287 20 0 CGADHO Cc1cc(CN[C@H](C)CC[NH3+])ccc1Oc1cccnc1 ZINC000414879364 380472425 /nfs/dbraw/zinc/47/24/25/380472425.db2.gz ILVBDGFFPNBRGL-CQSZACIVSA-N 1 3 285.391 3.009 20 0 CGADHO N[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)s1)C1CC1 ZINC000414886054 380473997 /nfs/dbraw/zinc/47/39/97/380473997.db2.gz CGJMGQKINNVJTQ-HNNXBMFYSA-N 1 3 290.407 3.381 20 0 CGADHO c1ccc([C@H]2CCCC[C@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414891483 380476542 /nfs/dbraw/zinc/47/65/42/380476542.db2.gz ODFIKSHSKVHCKZ-BZSNNMDCSA-N 1 3 272.436 3.445 20 0 CGADHO N[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000414902988 380481421 /nfs/dbraw/zinc/48/14/21/380481421.db2.gz ZEAVEBVSAAGXRR-GOSISDBHSA-N 1 3 266.388 3.181 20 0 CGADHO CC[C@@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccccc1 ZINC000414903916 380481706 /nfs/dbraw/zinc/48/17/06/380481706.db2.gz MRYWXDYUJNBGMG-DOTOQJQBSA-N 1 3 260.425 3.160 20 0 CGADHO Fc1ccc([C@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414903580 380481878 /nfs/dbraw/zinc/48/18/78/380481878.db2.gz KCUMCGDUOQGIAK-ZACQAIPSSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CCCNC1 ZINC000414903443 380482167 /nfs/dbraw/zinc/48/21/67/380482167.db2.gz IKLAGNKQRPUYJI-KSZLIROESA-N 1 3 290.426 3.441 20 0 CGADHO CSC1(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC000356177208 380792996 /nfs/dbraw/zinc/79/29/96/380792996.db2.gz PQZXDFVIRCTLEL-GJZGRUSLSA-N 1 3 284.513 3.230 20 0 CGADHO CSC1(C[NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC000356177208 380793005 /nfs/dbraw/zinc/79/30/05/380793005.db2.gz PQZXDFVIRCTLEL-GJZGRUSLSA-N 1 3 284.513 3.230 20 0 CGADHO CCc1cccnc1[C@@H](C)NCC1(C)CC[NH+](C)CC1 ZINC000356862486 380905117 /nfs/dbraw/zinc/90/51/17/380905117.db2.gz ZWUQGFSEWSQAFA-CQSZACIVSA-N 1 3 275.440 3.027 20 0 CGADHO CCc1cccnc1[C@@H](C)NCCC1CC[NH+](C)CC1 ZINC000356871619 380911525 /nfs/dbraw/zinc/91/15/25/380911525.db2.gz OTELUDDMQUABDT-CQSZACIVSA-N 1 3 275.440 3.027 20 0 CGADHO c1csc([C@H]2CCCCN2CCC2CC[NH2+]CC2)n1 ZINC000359221295 381340712 /nfs/dbraw/zinc/34/07/12/381340712.db2.gz OSJIRMFQBYCHCF-CQSZACIVSA-N 1 3 279.453 3.060 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CCN1 ZINC000334861345 207203894 /nfs/dbraw/zinc/20/38/94/207203894.db2.gz BBTGDFANZNLWQO-CZUORRHYSA-N 1 3 254.377 3.070 20 0 CGADHO C[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CCN1 ZINC000334861346 207204326 /nfs/dbraw/zinc/20/43/26/207204326.db2.gz BBTGDFANZNLWQO-XJKSGUPXSA-N 1 3 254.377 3.070 20 0 CGADHO c1cnc2ccc(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2c1 ZINC000334866675 207212502 /nfs/dbraw/zinc/21/25/02/207212502.db2.gz BPPXPJYHAMKKEL-HKUYNNGSSA-N 1 3 295.430 3.199 20 0 CGADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc2ncsc2c1 ZINC000362572325 382061947 /nfs/dbraw/zinc/06/19/47/382061947.db2.gz GZXPAKOCDSVBTM-GXTWGEPZSA-N 1 3 289.448 3.431 20 0 CGADHO Cc1ccc(CN2CCC(CC[NH3+])CC2)c(Cl)c1 ZINC000235869947 542314119 /nfs/dbraw/zinc/31/41/19/542314119.db2.gz ILAKBMVZVMRPJL-UHFFFAOYSA-N 1 3 266.816 3.209 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127240 382334192 /nfs/dbraw/zinc/33/41/92/382334192.db2.gz RILJVDPSHXOIFG-HXFGRODQSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127240 382334194 /nfs/dbraw/zinc/33/41/94/382334194.db2.gz RILJVDPSHXOIFG-HXFGRODQSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127240 382334202 /nfs/dbraw/zinc/33/42/02/382334202.db2.gz RILJVDPSHXOIFG-HXFGRODQSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1CCCc2n[nH]cc21 ZINC000367633560 382352585 /nfs/dbraw/zinc/35/25/85/382352585.db2.gz IJGRYJOJTSDBHR-ZBFHGGJFSA-N 1 3 290.455 3.031 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1CCCc2n[nH]cc21 ZINC000367633560 382352595 /nfs/dbraw/zinc/35/25/95/382352595.db2.gz IJGRYJOJTSDBHR-ZBFHGGJFSA-N 1 3 290.455 3.031 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263233 542330348 /nfs/dbraw/zinc/33/03/48/542330348.db2.gz VLKYVGMACWXQOG-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2c(C)cccc2C)[C@@H](C)C1 ZINC000247263233 542330353 /nfs/dbraw/zinc/33/03/53/542330353.db2.gz VLKYVGMACWXQOG-WMZOPIPTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[C@@H]1CN(Cc2c(C)cc(C)cc2C)CC[C@H]1[NH3+] ZINC000251900499 542348734 /nfs/dbraw/zinc/34/87/34/542348734.db2.gz WUQKPYCDAHNFRG-NVXWUHKLSA-N 1 3 260.425 3.171 20 0 CGADHO c1ccc2c(c1)C[C@@H]2CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250869274 542344706 /nfs/dbraw/zinc/34/47/06/542344706.db2.gz YCECAOKEFZVBOJ-QXCFHYIPSA-N 1 3 284.447 3.227 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000250869274 542344709 /nfs/dbraw/zinc/34/47/09/542344709.db2.gz YCECAOKEFZVBOJ-QXCFHYIPSA-N 1 3 284.447 3.227 20 0 CGADHO c1ccc2c(c1)C[C@@H]2CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000250869277 542344731 /nfs/dbraw/zinc/34/47/31/542344731.db2.gz YCECAOKEFZVBOJ-XGXHKWSGSA-N 1 3 284.447 3.227 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000250869277 542344734 /nfs/dbraw/zinc/34/47/34/542344734.db2.gz YCECAOKEFZVBOJ-XGXHKWSGSA-N 1 3 284.447 3.227 20 0 CGADHO Fc1ccc(C2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000335248796 208022741 /nfs/dbraw/zinc/02/27/41/208022741.db2.gz CTCTWGJBVHUZIV-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO C[NH2+]C1CCN([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000335268250 208063342 /nfs/dbraw/zinc/06/33/42/208063342.db2.gz FARFOVYEIZYBQH-ZWKOTPCHSA-N 1 3 272.436 3.181 20 0 CGADHO CNC1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000335268250 208063348 /nfs/dbraw/zinc/06/33/48/208063348.db2.gz FARFOVYEIZYBQH-ZWKOTPCHSA-N 1 3 272.436 3.181 20 0 CGADHO c1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339068447 542486284 /nfs/dbraw/zinc/48/62/84/542486284.db2.gz QHOIXJVKBYENEN-ROUUACIJSA-N 1 3 284.447 3.325 20 0 CGADHO c1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339068447 542486286 /nfs/dbraw/zinc/48/62/86/542486286.db2.gz QHOIXJVKBYENEN-ROUUACIJSA-N 1 3 284.447 3.325 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(-c2ccncc2)cc1 ZINC000423282170 533352427 /nfs/dbraw/zinc/35/24/27/533352427.db2.gz CDTJCUCCGNWRGQ-CYBMUJFWSA-N 1 3 269.392 3.137 20 0 CGADHO C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)C1CCCCC1 ZINC000483265592 533364087 /nfs/dbraw/zinc/36/40/87/533364087.db2.gz UHCWTXVDLIRUFN-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(C[N@H+]1CC[C@H](CN2CCCC2)C1)C1CCCCC1 ZINC000483265592 533364089 /nfs/dbraw/zinc/36/40/89/533364089.db2.gz UHCWTXVDLIRUFN-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000483265592 533364091 /nfs/dbraw/zinc/36/40/91/533364091.db2.gz UHCWTXVDLIRUFN-QGZVFWFLSA-N 1 3 264.457 3.375 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423527676 533521347 /nfs/dbraw/zinc/52/13/47/533521347.db2.gz MKRZTEHOQNHRNI-FPMFFAJLSA-N 1 3 286.341 3.063 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000437056279 533525826 /nfs/dbraw/zinc/52/58/26/533525826.db2.gz KKFWSUULYQMXBD-BFYDXBDKSA-N 1 3 290.451 3.466 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000423350053 533657741 /nfs/dbraw/zinc/65/77/41/533657741.db2.gz WSELSMUJVDSMPO-SUMWQHHRSA-N 1 3 296.405 3.265 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000414907153 542639877 /nfs/dbraw/zinc/63/98/77/542639877.db2.gz ALJZRWDHMUFKHB-WDEREUQCSA-N 1 3 290.304 3.204 20 0 CGADHO Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414924771 542641052 /nfs/dbraw/zinc/64/10/52/542641052.db2.gz KRYKJYNXIVOBJL-ZIAGYGMSSA-N 1 3 252.789 3.008 20 0 CGADHO CC1CCN(CCC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000021807997 391942654 /nfs/dbraw/zinc/94/26/54/391942654.db2.gz GATRKWZUXCKXIE-CVEARBPZSA-N 1 3 252.446 3.277 20 0 CGADHO C(CC1CCCCC1)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994689 391965019 /nfs/dbraw/zinc/96/50/19/391965019.db2.gz UCTHZGOMFAOZCX-INIZCTEOSA-N 1 3 250.430 3.032 20 0 CGADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378782 542645856 /nfs/dbraw/zinc/64/58/56/542645856.db2.gz XFZYGBLMHPMXQY-JTNHKYCSSA-N 1 3 268.351 3.100 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccccc1N(C)C ZINC000093946615 392240937 /nfs/dbraw/zinc/24/09/37/392240937.db2.gz LLOBBRSVQCWDKN-XHSDSOJGSA-N 1 3 289.467 3.276 20 0 CGADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1F ZINC000227499417 130845777 /nfs/dbraw/zinc/84/57/77/130845777.db2.gz FQWVCGRNYCYBHG-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000090720258 392230138 /nfs/dbraw/zinc/23/01/38/392230138.db2.gz NUAZCMJXSXZXQE-YOEHRIQHSA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720258 392230140 /nfs/dbraw/zinc/23/01/40/392230140.db2.gz NUAZCMJXSXZXQE-YOEHRIQHSA-N 1 3 260.425 3.382 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC(C)(C)C1 ZINC000106868861 392312006 /nfs/dbraw/zinc/31/20/06/392312006.db2.gz OSJKIPMXQHZNPH-LVQVYYBASA-N 1 3 264.457 3.418 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccccn2)CC1 ZINC000104946964 392281787 /nfs/dbraw/zinc/28/17/87/392281787.db2.gz LBJJWJQFYHGKEX-UHFFFAOYSA-N 1 3 275.440 3.026 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccccn2)CC1 ZINC000104946964 392281794 /nfs/dbraw/zinc/28/17/94/392281794.db2.gz LBJJWJQFYHGKEX-UHFFFAOYSA-N 1 3 275.440 3.026 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000434776425 542656895 /nfs/dbraw/zinc/65/68/95/542656895.db2.gz MRMZGOAXDJLDQR-HNNXBMFYSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CCC[NH3+] ZINC000123355674 392426974 /nfs/dbraw/zinc/42/69/74/392426974.db2.gz WATGXVYIHWBICC-SNVBAGLBSA-N 1 3 260.303 3.047 20 0 CGADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000371337771 392514097 /nfs/dbraw/zinc/51/40/97/392514097.db2.gz WFBTTZVBNIYCHW-HHARLNAUSA-N 1 3 264.457 3.418 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(C)cc32)C1 ZINC000163266622 392604467 /nfs/dbraw/zinc/60/44/67/392604467.db2.gz COBMJNANGQVFGR-NVXWUHKLSA-N 1 3 288.435 3.140 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2c1 ZINC000302702471 392619069 /nfs/dbraw/zinc/61/90/69/392619069.db2.gz BMQRXFXAWLQHGG-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2c1 ZINC000302702471 392619074 /nfs/dbraw/zinc/61/90/74/392619074.db2.gz BMQRXFXAWLQHGG-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO c1ccc(O[C@H]2CC[N@@H+](CCCN3CCCCC3)C2)cc1 ZINC000372898835 392645009 /nfs/dbraw/zinc/64/50/09/392645009.db2.gz WUEJHXYSALXCOT-SFHVURJKSA-N 1 3 288.435 3.016 20 0 CGADHO c1ccc(O[C@H]2CC[N@H+](CCCN3CCCCC3)C2)cc1 ZINC000372898835 392645018 /nfs/dbraw/zinc/64/50/18/392645018.db2.gz WUEJHXYSALXCOT-SFHVURJKSA-N 1 3 288.435 3.016 20 0 CGADHO CC[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000647498683 392742801 /nfs/dbraw/zinc/74/28/01/392742801.db2.gz MZORTZYENWBJQF-WFASDCNBSA-N 1 3 274.433 3.461 20 0 CGADHO Cc1ccc(F)cc1CN1CCCC12CC[NH+](C)CC2 ZINC000375504448 392786696 /nfs/dbraw/zinc/78/66/96/392786696.db2.gz CUJJILFWPJWXII-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1ccc(F)cc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000375504448 392786705 /nfs/dbraw/zinc/78/67/05/392786705.db2.gz CUJJILFWPJWXII-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000375504448 392786713 /nfs/dbraw/zinc/78/67/13/392786713.db2.gz CUJJILFWPJWXII-UHFFFAOYSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccccc1N(C)C ZINC000647803245 392805458 /nfs/dbraw/zinc/80/54/58/392805458.db2.gz PCBUCPQTUKIZPT-AWEZNQCLSA-N 1 3 283.419 3.062 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000647803273 392805471 /nfs/dbraw/zinc/80/54/71/392805471.db2.gz QPIIAPBXIKZMSK-LLVKDONJSA-N 1 3 276.330 3.274 20 0 CGADHO CN(C)[C@@H](CNc1[nH+]ccc2[nH]ccc21)c1ccc(F)cc1 ZINC000647857748 392814782 /nfs/dbraw/zinc/81/47/82/392814782.db2.gz JUTDWWLJHIYTDN-INIZCTEOSA-N 1 3 298.365 3.417 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647879491 392820608 /nfs/dbraw/zinc/82/06/08/392820608.db2.gz ASKAWVGONPIVTO-KDOFPFPSSA-N 1 3 270.420 3.138 20 0 CGADHO CCCN(C[C@H]1CC[NH2+]C1)[C@@H](CC)c1ccccc1 ZINC000647878617 392820906 /nfs/dbraw/zinc/82/09/06/392820906.db2.gz UBBOOFTYFKTBDP-RDJZCZTQSA-N 1 3 260.425 3.459 20 0 CGADHO CCCCN(C[C@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000647886811 392826311 /nfs/dbraw/zinc/82/63/11/392826311.db2.gz XMWYQYCEULDDKY-CVEARBPZSA-N 1 3 260.425 3.459 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C[C@H]1CC[NH2+]C1 ZINC000647890099 392829089 /nfs/dbraw/zinc/82/90/89/392829089.db2.gz QHZAJTYNJYJELR-IHRRRGAJSA-N 1 3 280.843 3.373 20 0 CGADHO CC(C)NC1(CO)CC[NH+](C[C@@H](C)C2CCCCC2)CC1 ZINC000519759469 392892298 /nfs/dbraw/zinc/89/22/98/392892298.db2.gz NOBXTTLBEUEZKK-MRXNPFEDSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000381831569 392915533 /nfs/dbraw/zinc/91/55/33/392915533.db2.gz GGQALNKVQNGNMZ-JPZDYKCISA-N 1 3 276.468 3.418 20 0 CGADHO FC1(F)CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000336797373 392869452 /nfs/dbraw/zinc/86/94/52/392869452.db2.gz ZQSMOVOURQWKFU-MELADBBJSA-N 1 3 272.383 3.028 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)c2ccccc21 ZINC000390880779 392928013 /nfs/dbraw/zinc/92/80/13/392928013.db2.gz SYLAIJQZCZYXRN-HONMWMINSA-N 1 3 266.335 3.156 20 0 CGADHO C[NH+](C)CCC1CCN(Cc2scnc2C2CC2)CC1 ZINC000495164314 542722818 /nfs/dbraw/zinc/72/28/18/542722818.db2.gz NILRXQIKJBQNCG-UHFFFAOYSA-N 1 3 293.480 3.184 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCC(C)CC1 ZINC000513754937 542732542 /nfs/dbraw/zinc/73/25/42/542732542.db2.gz OIERQAJTWXFSRW-JKSUJKDBSA-N 1 3 252.446 3.133 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(C)c(Cl)c1 ZINC000195445572 392968113 /nfs/dbraw/zinc/96/81/13/392968113.db2.gz DKIRVCBCYSXMHD-OAHLLOKOSA-N 1 3 298.858 3.095 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2ccc(Cl)cc2F)C1 ZINC000415000137 393085951 /nfs/dbraw/zinc/08/59/51/393085951.db2.gz KAKKCNMLUZXJFG-ZWNOBZJWSA-N 1 3 270.779 3.086 20 0 CGADHO Cc1ccccc1-c1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000415002566 393087307 /nfs/dbraw/zinc/08/73/07/393087307.db2.gz DWCGMBGIXSKCKQ-CABCVRRESA-N 1 3 268.404 3.487 20 0 CGADHO C[C@H]1CC[C@H]([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000415005066 393089061 /nfs/dbraw/zinc/08/90/61/393089061.db2.gz OQYWLNASTWNPBM-QXRTWZOPSA-N 1 3 290.426 3.297 20 0 CGADHO Cc1ccc(COc2ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc2)cc1 ZINC000415009612 393093504 /nfs/dbraw/zinc/09/35/04/393093504.db2.gz FZVIKRHJSPOWQZ-CVEARBPZSA-N 1 3 298.430 3.399 20 0 CGADHO CC1CCC([N@H+](C[C@@H]2CCCO2)C[C@@H]2CCCNC2)CC1 ZINC000347001752 393098146 /nfs/dbraw/zinc/09/81/46/393098146.db2.gz HSNZXVYCSUDGQZ-FPQWYMTMSA-N 1 3 294.483 3.046 20 0 CGADHO CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCCNC2)CC1 ZINC000347001752 393098150 /nfs/dbraw/zinc/09/81/50/393098150.db2.gz HSNZXVYCSUDGQZ-FPQWYMTMSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1cc(Cl)ccc1OCC1CC1 ZINC000415023197 393099905 /nfs/dbraw/zinc/09/99/05/393099905.db2.gz MKDNRAGVGXDQAI-LBPRGKRZSA-N 1 3 296.842 3.346 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1nc(-c2ccccc2)cs1 ZINC000415027097 393103209 /nfs/dbraw/zinc/10/32/09/393103209.db2.gz VZRRPKVRWBDCNN-LBPRGKRZSA-N 1 3 275.421 3.027 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414937200 393058776 /nfs/dbraw/zinc/05/87/76/393058776.db2.gz ZYAFIKHTIMPILP-ZACQAIPSSA-N 1 3 260.425 3.176 20 0 CGADHO CC(C)C1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000414905542 393059236 /nfs/dbraw/zinc/05/92/36/393059236.db2.gz LKXMKBWMLLZPBL-UYSNPLJNSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000414952067 393060342 /nfs/dbraw/zinc/06/03/42/393060342.db2.gz QLSZZOCPWKQYBL-BGTYHANMSA-N 1 3 272.436 3.361 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000414955146 393062585 /nfs/dbraw/zinc/06/25/85/393062585.db2.gz LKAVOHXGEUTRJS-USXIJHARSA-N 1 3 260.425 3.158 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CCN1 ZINC000414954644 393063251 /nfs/dbraw/zinc/06/32/51/393063251.db2.gz SUKWDCFBTYTACV-LTDKPHRXSA-N 1 3 272.436 3.443 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000246867734 393066650 /nfs/dbraw/zinc/06/66/50/393066650.db2.gz DGSBVPUSRSTWEF-CVEARBPZSA-N 1 3 292.471 3.066 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000246867734 393066652 /nfs/dbraw/zinc/06/66/52/393066652.db2.gz DGSBVPUSRSTWEF-CVEARBPZSA-N 1 3 292.471 3.066 20 0 CGADHO CC(C)(C)c1nc(CNCCC[C@H]2CCC[NH2+]2)cs1 ZINC000414961642 393067938 /nfs/dbraw/zinc/06/79/38/393067938.db2.gz BLWHHMJUCCTJIP-LBPRGKRZSA-N 1 3 281.469 3.062 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414970305 393073130 /nfs/dbraw/zinc/07/31/30/393073130.db2.gz KHTMWALHEVXYKY-INIZCTEOSA-N 1 3 258.409 3.042 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414975148 393075684 /nfs/dbraw/zinc/07/56/84/393075684.db2.gz OMQFZYBUDSOLIN-OAHLLOKOSA-N 1 3 274.433 3.379 20 0 CGADHO C[C@H](CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415059475 393119153 /nfs/dbraw/zinc/11/91/53/393119153.db2.gz WZFNGLFDWKCHOB-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO c1ccc(C2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000415071462 393127939 /nfs/dbraw/zinc/12/79/39/393127939.db2.gz TZKMCIUBXTUXHM-DAWZGUTISA-N 1 3 272.436 3.445 20 0 CGADHO Cc1cccc([C@@H](NC2CC[NH2+]CC2)C(C)(C)C)c1 ZINC000415074576 393129779 /nfs/dbraw/zinc/12/97/79/393129779.db2.gz CVEGQGWUEJMLJF-MRXNPFEDSA-N 1 3 260.425 3.424 20 0 CGADHO Cc1cccc([C@@H]([NH2+]C2CCNCC2)C(C)(C)C)c1 ZINC000415074576 393129786 /nfs/dbraw/zinc/12/97/86/393129786.db2.gz CVEGQGWUEJMLJF-MRXNPFEDSA-N 1 3 260.425 3.424 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000415088424 393140610 /nfs/dbraw/zinc/14/06/10/393140610.db2.gz XKIHJXMOULZPAO-QYZOEREBSA-N 1 3 286.463 3.377 20 0 CGADHO Clc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415091473 393142279 /nfs/dbraw/zinc/14/22/79/393142279.db2.gz QDTBQKCFLRUDFJ-BBWFWOEESA-N 1 3 292.854 3.393 20 0 CGADHO C[C@H](NCCc1cc(Cl)cc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415091067 393142489 /nfs/dbraw/zinc/14/24/89/393142489.db2.gz YRXCXTJXEORFRF-JQWIXIFHSA-N 1 3 287.234 3.124 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000415103214 393144681 /nfs/dbraw/zinc/14/46/81/393144681.db2.gz CULRSVAJNQFTBO-CRAIPNDOSA-N 1 3 295.430 3.165 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415115106 393149170 /nfs/dbraw/zinc/14/91/70/393149170.db2.gz UECRTFNEZXSNTL-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415115106 393149174 /nfs/dbraw/zinc/14/91/74/393149174.db2.gz UECRTFNEZXSNTL-BPQIPLTHSA-N 1 3 272.436 3.254 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000415115306 393149486 /nfs/dbraw/zinc/14/94/86/393149486.db2.gz DNCREPKTUANTIX-FZMZJTMJSA-N 1 3 254.805 3.364 20 0 CGADHO C1[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000415120501 393151032 /nfs/dbraw/zinc/15/10/32/393151032.db2.gz YHNGADKSZJYTTH-ICUGJSFKSA-N 1 3 276.468 3.466 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000415120570 393151134 /nfs/dbraw/zinc/15/11/34/393151134.db2.gz GLPLOFUSQQQCKB-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO Cc1cc([C@H](C)[NH2+]C[C@@H](N)CC(C)C)c(C)s1 ZINC000415126711 393153680 /nfs/dbraw/zinc/15/36/80/393153680.db2.gz UYODWUJLKHEDHO-AAEUAGOBSA-N 1 3 254.443 3.389 20 0 CGADHO C[NH+]1CCC([C@@H]2CCN(Cc3cccc(F)c3F)C2)CC1 ZINC000270542336 393237868 /nfs/dbraw/zinc/23/78/68/393237868.db2.gz XPFFGRGKKOGJDP-CQSZACIVSA-N 1 3 294.389 3.129 20 0 CGADHO CCC[C@@H](C[NH2+]CC1=CCN(C)CC1)c1ccccc1 ZINC000271906534 393255166 /nfs/dbraw/zinc/25/51/66/393255166.db2.gz RIBWTVCPVSQHRG-SFHVURJKSA-N 1 3 272.436 3.422 20 0 CGADHO C[C@@H](C[NH2+]C1CCC(F)(F)CC1)CN1CCCCC1 ZINC000647172640 393367894 /nfs/dbraw/zinc/36/78/94/393367894.db2.gz BMEUVCZQLSXBQW-ZDUSSCGKSA-N 1 3 274.399 3.276 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)CN(C)C)CC3 ZINC000425942926 393445976 /nfs/dbraw/zinc/44/59/76/393445976.db2.gz ORQJKHZPPWKJHE-GJZGRUSLSA-N 1 3 299.462 3.121 20 0 CGADHO c1ccc(CCCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420392022 393482351 /nfs/dbraw/zinc/48/23/51/393482351.db2.gz IUEWEAQOUOVYTR-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO c1ccc([C@H](NCC[C@H]2CCC[NH2+]C2)c2ccccn2)cc1 ZINC000420316698 393463790 /nfs/dbraw/zinc/46/37/90/393463790.db2.gz MFEGYZDACMSJFD-APWZRJJASA-N 1 3 295.430 3.150 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323640 393465043 /nfs/dbraw/zinc/46/50/43/393465043.db2.gz GMYGBVUKTGUSQY-MGPQQGTHSA-N 1 3 294.389 3.347 20 0 CGADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000420359634 393471772 /nfs/dbraw/zinc/47/17/72/393471772.db2.gz GFRXHGGQYZMIJD-JTNHKYCSSA-N 1 3 286.341 3.182 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000420370465 393476227 /nfs/dbraw/zinc/47/62/27/393476227.db2.gz VVAYNEWPQPMRCL-GOSISDBHSA-N 1 3 282.431 3.360 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCCc1ccc2ccccc2c1 ZINC000420370465 393476232 /nfs/dbraw/zinc/47/62/32/393476232.db2.gz VVAYNEWPQPMRCL-GOSISDBHSA-N 1 3 282.431 3.360 20 0 CGADHO NC[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1CCCCC1 ZINC000420376677 393478191 /nfs/dbraw/zinc/47/81/91/393478191.db2.gz VKRZGJAHVYKZFE-GOSISDBHSA-N 1 3 283.419 3.232 20 0 CGADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)[C@@H]1CCOC1 ZINC000358440346 393525400 /nfs/dbraw/zinc/52/54/00/393525400.db2.gz ACMGFIMCFZRIKB-HPFXQQBRSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@](CN)([NH2+]Cc1ccccc1Oc1cccnc1)C1CC1 ZINC000430573633 393578284 /nfs/dbraw/zinc/57/82/84/393578284.db2.gz MJGWNBYKEQBKAA-GOSISDBHSA-N 1 3 297.402 3.091 20 0 CGADHO Cc1ccc2oc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2c1 ZINC000666743442 542812159 /nfs/dbraw/zinc/81/21/59/542812159.db2.gz JKHYWMIQOYCUHR-BBRMVZONSA-N 1 3 272.392 3.348 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCCNCC2)c1 ZINC000666858010 542822040 /nfs/dbraw/zinc/82/20/40/542822040.db2.gz STXMODUVLNOLJD-DOTOQJQBSA-N 1 3 260.425 3.048 20 0 CGADHO [NH3+]C[C@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430604040 393580418 /nfs/dbraw/zinc/58/04/18/393580418.db2.gz LPXOTJNXGOAEPT-MRXNPFEDSA-N 1 3 268.404 3.053 20 0 CGADHO NC[C@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430604040 393580425 /nfs/dbraw/zinc/58/04/25/393580425.db2.gz LPXOTJNXGOAEPT-MRXNPFEDSA-N 1 3 268.404 3.053 20 0 CGADHO NC[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430604040 393580435 /nfs/dbraw/zinc/58/04/35/393580435.db2.gz LPXOTJNXGOAEPT-MRXNPFEDSA-N 1 3 268.404 3.053 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1c(Cl)cccc1Cl ZINC000422738216 393640451 /nfs/dbraw/zinc/64/04/51/393640451.db2.gz ITMMZDHMMWYTLC-HZMBPMFUSA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1c(Cl)cccc1Cl ZINC000422738216 393640455 /nfs/dbraw/zinc/64/04/55/393640455.db2.gz ITMMZDHMMWYTLC-HZMBPMFUSA-N 1 3 287.234 3.253 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000422565748 393641127 /nfs/dbraw/zinc/64/11/27/393641127.db2.gz ZYUHKNMVWXTUHT-MBNYWOFBSA-N 1 3 298.377 3.093 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000422847996 393643673 /nfs/dbraw/zinc/64/36/73/393643673.db2.gz JCSPRKOVUHLJOE-DGAVXFQQSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H](NC[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423132877 393652266 /nfs/dbraw/zinc/65/22/66/393652266.db2.gz PPWIJJBUQLWGOD-RDBSUJKOSA-N 1 3 274.399 3.322 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCCN1 ZINC000423132877 393652271 /nfs/dbraw/zinc/65/22/71/393652271.db2.gz PPWIJJBUQLWGOD-RDBSUJKOSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423285095 393659260 /nfs/dbraw/zinc/65/92/60/393659260.db2.gz YVKDJWKRYSJOOS-ZVZYQTTQSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1ccc(-n2cccn2)cc1 ZINC000423285095 393659264 /nfs/dbraw/zinc/65/92/64/393659264.db2.gz YVKDJWKRYSJOOS-ZVZYQTTQSA-N 1 3 298.434 3.040 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCCC1 ZINC000423380812 393665137 /nfs/dbraw/zinc/66/51/37/393665137.db2.gz OCKNVRALUQURFC-KBMXLJTQSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CCN1 ZINC000423394399 393665585 /nfs/dbraw/zinc/66/55/85/393665585.db2.gz ZOZBEPAFNWQHNM-IGCXYCKISA-N 1 3 283.419 3.275 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@@H](NCCC[C@H]1CCC[NH2+]1)CC2 ZINC000423489411 393670015 /nfs/dbraw/zinc/67/00/15/393670015.db2.gz WLKATHFTHZLQSK-YPMHNXCESA-N 1 3 298.352 3.213 20 0 CGADHO CS[C@@H]1CC[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000425349296 393692134 /nfs/dbraw/zinc/69/21/34/393692134.db2.gz FJOYTJPEXSSLJE-LSDHHAIUSA-N 1 3 270.486 3.125 20 0 CGADHO CS[C@@H]1CC[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000425349296 393692142 /nfs/dbraw/zinc/69/21/42/393692142.db2.gz FJOYTJPEXSSLJE-LSDHHAIUSA-N 1 3 270.486 3.125 20 0 CGADHO Clc1scc(CN[C@H]2CC23CC[NH2+]CC3)c1Cl ZINC000666953520 542828213 /nfs/dbraw/zinc/82/82/13/542828213.db2.gz ANQVDGOFEOAJEY-VIFPVBQESA-N 1 3 291.247 3.287 20 0 CGADHO CCCCOc1ccccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666954384 542828971 /nfs/dbraw/zinc/82/89/71/542828971.db2.gz VZLNQYFMTQRTEE-QGZVFWFLSA-N 1 3 288.435 3.097 20 0 CGADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000666995018 542832943 /nfs/dbraw/zinc/83/29/43/542832943.db2.gz AHNRCPFEHABQTJ-DZOHQFGASA-N 1 3 284.447 3.443 20 0 CGADHO C[C@@H]1[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1c1ccccc1 ZINC000666995018 542832945 /nfs/dbraw/zinc/83/29/45/542832945.db2.gz AHNRCPFEHABQTJ-DZOHQFGASA-N 1 3 284.447 3.443 20 0 CGADHO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000451405760 394044967 /nfs/dbraw/zinc/04/49/67/394044967.db2.gz ISQIWSIKDJSDFD-FRRDWIJNSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC[C@H]1CCCN1C ZINC000451405760 394044969 /nfs/dbraw/zinc/04/49/69/394044969.db2.gz ISQIWSIKDJSDFD-FRRDWIJNSA-N 1 3 278.362 3.134 20 0 CGADHO COCC[N@H+](C)CCCN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000453080413 394164276 /nfs/dbraw/zinc/16/42/76/394164276.db2.gz LTZNZXSWBBITNQ-HIFRSBDPSA-N 1 3 296.480 3.244 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000453080413 394164279 /nfs/dbraw/zinc/16/42/79/394164279.db2.gz LTZNZXSWBBITNQ-HIFRSBDPSA-N 1 3 296.480 3.244 20 0 CGADHO CCCCN1CCC([NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000453096320 394169557 /nfs/dbraw/zinc/16/95/57/394169557.db2.gz ZENZCOLQEMTCDK-KRWDZBQOSA-N 1 3 275.440 3.387 20 0 CGADHO CC(C)(C)CCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000302318635 397676448 /nfs/dbraw/zinc/67/64/48/397676448.db2.gz QDZQAYQDHFMLLG-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cc3ccccc3s1)C2 ZINC000650709395 397898038 /nfs/dbraw/zinc/89/80/38/397898038.db2.gz XZGAFSZBBQKIDZ-YOEHRIQHSA-N 1 3 286.444 3.462 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000650709395 397898039 /nfs/dbraw/zinc/89/80/39/397898039.db2.gz XZGAFSZBBQKIDZ-YOEHRIQHSA-N 1 3 286.444 3.462 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000650709395 397898040 /nfs/dbraw/zinc/89/80/40/397898040.db2.gz XZGAFSZBBQKIDZ-YOEHRIQHSA-N 1 3 286.444 3.462 20 0 CGADHO [NH3+]CC1(CCNCc2csc(-c3cccs3)n2)CC1 ZINC000650712567 397899792 /nfs/dbraw/zinc/89/97/92/397899792.db2.gz KPYMHLOMJRYILP-UHFFFAOYSA-N 1 3 293.461 3.090 20 0 CGADHO C[C@@H](NCCC1CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000650762580 397912395 /nfs/dbraw/zinc/91/23/95/397912395.db2.gz FENBHOPTLFRRDC-GFCCVEGCSA-N 1 3 293.480 3.062 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675752226 543361008 /nfs/dbraw/zinc/36/10/08/543361008.db2.gz OBTKARBVFHWXMQ-QLFBSQMISA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752226 543361011 /nfs/dbraw/zinc/36/10/11/543361011.db2.gz OBTKARBVFHWXMQ-QLFBSQMISA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000675752226 543361013 /nfs/dbraw/zinc/36/10/13/543361013.db2.gz OBTKARBVFHWXMQ-QLFBSQMISA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239981 543441482 /nfs/dbraw/zinc/44/14/82/543441482.db2.gz CFRGHJGBNJHAQY-COXVUDFISA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239981 543441483 /nfs/dbraw/zinc/44/14/83/543441483.db2.gz CFRGHJGBNJHAQY-COXVUDFISA-N 1 3 276.399 3.146 20 0 CGADHO C[NH+](C)CC1CCN(Cc2nccc3ccccc32)CC1 ZINC000678138849 543487380 /nfs/dbraw/zinc/48/73/80/543487380.db2.gz BZMHUEFRZDEULR-UHFFFAOYSA-N 1 3 283.419 3.008 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(C)n1 ZINC000678425183 543524894 /nfs/dbraw/zinc/52/48/94/543524894.db2.gz VUYLLXRBHRVHFM-RDJZCZTQSA-N 1 3 289.467 3.469 20 0 CGADHO CCC[NH+]1CCC(NCCc2cc3ccccc3o2)CC1 ZINC000678773888 543557032 /nfs/dbraw/zinc/55/70/32/543557032.db2.gz UTQGZFNHNNXCGY-UHFFFAOYSA-N 1 3 286.419 3.439 20 0 CGADHO C[C@@H](N[C@H]1CCCCC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000423134206 287066612 /nfs/dbraw/zinc/06/66/12/287066612.db2.gz DQNMKGYIJGPIHY-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CCCN1 ZINC000423134206 287066615 /nfs/dbraw/zinc/06/66/15/287066615.db2.gz DQNMKGYIJGPIHY-KFWWJZLASA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)CN1CCCC1 ZINC000081639094 287075707 /nfs/dbraw/zinc/07/57/07/287075707.db2.gz NMMBVJLAWDSFAU-PVAVHDDUSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)c(F)c1 ZINC000089141635 165200520 /nfs/dbraw/zinc/20/05/20/165200520.db2.gz BTEGCKPOUXRJKS-JVLSTEMRSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@@H]1CN(CC2CC[NH+](CCC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000112697559 287144197 /nfs/dbraw/zinc/14/41/97/287144197.db2.gz DXSCFKMJSQQCII-HZPDHXFCSA-N 1 3 296.499 3.244 20 0 CGADHO CCc1cccc(F)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261933349 165843113 /nfs/dbraw/zinc/84/31/13/165843113.db2.gz LTXOCPTYYFQZOR-GOSISDBHSA-N 1 3 290.426 3.352 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423396813 287218761 /nfs/dbraw/zinc/21/87/61/287218761.db2.gz SQXMCLNFNCRPJN-WBMJQRKESA-N 1 3 258.409 3.204 20 0 CGADHO Cc1ccsc1C[NH2+]CCCN1CCCCC1 ZINC000020128734 171016040 /nfs/dbraw/zinc/01/60/40/171016040.db2.gz RIYIROUXPBZWKQ-UHFFFAOYSA-N 1 3 252.427 3.022 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000020129064 171016499 /nfs/dbraw/zinc/01/64/99/171016499.db2.gz YYVSWJFNBWJYLB-OAHLLOKOSA-N 1 3 276.424 3.222 20 0 CGADHO CCCOc1ccc(C[NH2+]C2CCN(CCC)CC2)cc1 ZINC000020190080 171056786 /nfs/dbraw/zinc/05/67/86/171056786.db2.gz ZZDQHTLGTFRSEW-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1csc(C)n1 ZINC000020252978 171105171 /nfs/dbraw/zinc/10/51/71/171105171.db2.gz LKTBEKUENOVPRP-GFCCVEGCSA-N 1 3 269.458 3.052 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C)c1 ZINC000285719786 196377324 /nfs/dbraw/zinc/37/73/24/196377324.db2.gz QCBZDZPWUCSSHT-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(C)c1 ZINC000285719786 196377326 /nfs/dbraw/zinc/37/73/26/196377326.db2.gz QCBZDZPWUCSSHT-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000285719786 196377328 /nfs/dbraw/zinc/37/73/28/196377328.db2.gz QCBZDZPWUCSSHT-RDJZCZTQSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000403006395 416548282 /nfs/dbraw/zinc/54/82/82/416548282.db2.gz QJIZDEWNILQIIK-XIRDDKMYSA-N 1 3 276.399 3.338 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000403006395 416548287 /nfs/dbraw/zinc/54/82/87/416548287.db2.gz QJIZDEWNILQIIK-XIRDDKMYSA-N 1 3 276.399 3.338 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000403006395 416548288 /nfs/dbraw/zinc/54/82/88/416548288.db2.gz QJIZDEWNILQIIK-XIRDDKMYSA-N 1 3 276.399 3.338 20 0 CGADHO CCOc1cccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404443639 416555459 /nfs/dbraw/zinc/55/54/59/416555459.db2.gz WCCDLMLGJKLSKX-PBHICJAKSA-N 1 3 276.424 3.035 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccncc2)CC1 ZINC000680326105 543697024 /nfs/dbraw/zinc/69/70/24/543697024.db2.gz CQXNDLBZVMTZKJ-HZPDHXFCSA-N 1 3 273.424 3.030 20 0 CGADHO C[C@H]1CCCC[C@H]1C[NH+]1CCN(c2ccncc2)CC1 ZINC000680326104 543697308 /nfs/dbraw/zinc/69/73/08/543697308.db2.gz CQXNDLBZVMTZKJ-HOTGVXAUSA-N 1 3 273.424 3.030 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc2occc2c1 ZINC000334749403 225272813 /nfs/dbraw/zinc/27/28/13/225272813.db2.gz JXLQFQCXGGZNRU-CJNGLKHVSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc2occc2c1 ZINC000334749403 225272816 /nfs/dbraw/zinc/27/28/16/225272816.db2.gz JXLQFQCXGGZNRU-CJNGLKHVSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@@H]1CCCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681494502 543791930 /nfs/dbraw/zinc/79/19/30/543791930.db2.gz RLPFCRZCVSBGTQ-MRXNPFEDSA-N 1 3 290.451 3.249 20 0 CGADHO C[C@@H]1CCCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000681494502 543791933 /nfs/dbraw/zinc/79/19/33/543791933.db2.gz RLPFCRZCVSBGTQ-MRXNPFEDSA-N 1 3 290.451 3.249 20 0 CGADHO c1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000192924472 227385507 /nfs/dbraw/zinc/38/55/07/227385507.db2.gz ZSPVBKPWZIYXLC-INIZCTEOSA-N 1 3 286.444 3.360 20 0 CGADHO Cc1ccccc1C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000684568113 544014512 /nfs/dbraw/zinc/01/45/12/544014512.db2.gz DQNBEYPVVFHRHQ-UHFFFAOYSA-N 1 3 281.403 3.102 20 0 CGADHO Cc1ccccc1C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000684568113 544014515 /nfs/dbraw/zinc/01/45/15/544014515.db2.gz DQNBEYPVVFHRHQ-UHFFFAOYSA-N 1 3 281.403 3.102 20 0 CGADHO C[C@@H]1C[C@@H](C)N1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684411719 543996518 /nfs/dbraw/zinc/99/65/18/543996518.db2.gz MUONESCWXZKYFX-HZPDHXFCSA-N 1 3 288.435 3.144 20 0 CGADHO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684426973 543999190 /nfs/dbraw/zinc/99/91/90/543999190.db2.gz XUWZPVKYRBFHIA-WBVHZDCISA-N 1 3 290.451 3.153 20 0 CGADHO CO[C@H](C)[C@@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000685663918 544094231 /nfs/dbraw/zinc/09/42/31/544094231.db2.gz KSXXBAXRXBMZIU-KCYZZUKISA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000685663918 544094233 /nfs/dbraw/zinc/09/42/33/544094233.db2.gz KSXXBAXRXBMZIU-KCYZZUKISA-N 1 3 282.472 3.043 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000650741553 418935892 /nfs/dbraw/zinc/93/58/92/418935892.db2.gz GHRLAAZTTYWSMS-MDASCCDHSA-N 1 3 295.430 3.364 20 0 CGADHO CC[N@H+](CCCN[C@H]1CCOC1(C)C)C1CCCCC1 ZINC000652237690 418940832 /nfs/dbraw/zinc/94/08/32/418940832.db2.gz AAIRUFCUUCUGSI-INIZCTEOSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@H]1CCOC1(C)C)C1CCCCC1 ZINC000652237690 418940835 /nfs/dbraw/zinc/94/08/35/418940835.db2.gz AAIRUFCUUCUGSI-INIZCTEOSA-N 1 3 282.472 3.188 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1(N)CCCC1 ZINC000665246517 419089893 /nfs/dbraw/zinc/08/98/93/419089893.db2.gz HDIGHCDJGXRGNI-MRXNPFEDSA-N 1 3 288.435 3.279 20 0 CGADHO NC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCCC1 ZINC000665247912 419090572 /nfs/dbraw/zinc/09/05/72/419090572.db2.gz LQNYRRSFCMAOFA-DOTOQJQBSA-N 1 3 288.435 3.015 20 0 CGADHO NC1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CCCC1 ZINC000665247865 419090777 /nfs/dbraw/zinc/09/07/77/419090777.db2.gz LBGAXDHLDROAOL-INIZCTEOSA-N 1 3 258.409 3.389 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N)CCCC2)c2ccccc21 ZINC000665249219 419092957 /nfs/dbraw/zinc/09/29/57/419092957.db2.gz LMGBBQXXKBJTCO-CZUORRHYSA-N 1 3 258.409 3.486 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000665277973 419099229 /nfs/dbraw/zinc/09/92/29/419099229.db2.gz RHLITGRMZIWGHZ-YCHGYYGWSA-N 1 3 270.420 3.054 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cc2c(s1)CCC2 ZINC000665280948 419101600 /nfs/dbraw/zinc/10/16/00/419101600.db2.gz QBDPIFRNTDNLPY-WCQYABFASA-N 1 3 266.454 3.261 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1coc2ccccc12 ZINC000665282462 419103758 /nfs/dbraw/zinc/10/37/58/419103758.db2.gz YTQZMTDKBGJLGX-CZUORRHYSA-N 1 3 274.408 3.327 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCCCOC2CCCCC2)C1 ZINC000656196014 419148260 /nfs/dbraw/zinc/14/82/60/419148260.db2.gz SUBTXQLGZDVGRC-CVEARBPZSA-N 1 3 282.472 3.366 20 0 CGADHO CCCCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677560 419182633 /nfs/dbraw/zinc/18/26/33/419182633.db2.gz HZLFYTWHOJVFFD-UHFFFAOYSA-N 1 3 260.425 3.431 20 0 CGADHO CC[C@@H]1C[C@H](NCc2ccccc2C[NH+](CC)CC)CO1 ZINC000657298999 419245767 /nfs/dbraw/zinc/24/57/67/419245767.db2.gz ZAFWFFRTJKRGRE-ZWKOTPCHSA-N 1 3 290.451 3.186 20 0 CGADHO CC[C@@H]1C[C@@H](NCC[C@H](C)[N@H+](C)Cc2ccccc2)CO1 ZINC000657384538 419265814 /nfs/dbraw/zinc/26/58/14/419265814.db2.gz UFWSQSXUCIGABL-CGTJXYLNSA-N 1 3 290.451 3.054 20 0 CGADHO CC[C@@H]1C[C@@H](NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384538 419265816 /nfs/dbraw/zinc/26/58/16/419265816.db2.gz UFWSQSXUCIGABL-CGTJXYLNSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC1(F)F ZINC000666227921 419200752 /nfs/dbraw/zinc/20/07/52/419200752.db2.gz LFPPCZDCUFIRPN-IUODEOHRSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CC1(F)F ZINC000666227921 419200756 /nfs/dbraw/zinc/20/07/56/419200756.db2.gz LFPPCZDCUFIRPN-IUODEOHRSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)c1ccccn1 ZINC000656783603 419218494 /nfs/dbraw/zinc/21/84/94/419218494.db2.gz QZIQDTXICNXJDZ-XHSDSOJGSA-N 1 3 275.440 3.086 20 0 CGADHO CCC[C@@H](CNCC1([NH3+])CCCC1)c1ccccc1 ZINC000656789760 419221273 /nfs/dbraw/zinc/22/12/73/419221273.db2.gz XNTGBULHMHOTFF-INIZCTEOSA-N 1 3 260.425 3.431 20 0 CGADHO COC1CC(CC[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000657528722 419298525 /nfs/dbraw/zinc/29/85/25/419298525.db2.gz JABBTILZAUFTOP-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[C@H](C)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613752 419314125 /nfs/dbraw/zinc/31/41/25/419314125.db2.gz QUHGKFYAPBRJAZ-INIZCTEOSA-N 1 3 289.467 3.319 20 0 CGADHO C1=C(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000657749865 419336672 /nfs/dbraw/zinc/33/66/72/419336672.db2.gz RBMOHLHAWQOAKJ-UHFFFAOYSA-N 1 3 262.441 3.483 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C(F)F)nc1 ZINC000657816224 419365942 /nfs/dbraw/zinc/36/59/42/419365942.db2.gz KAOLGGHRDYASKM-NSHDSACASA-N 1 3 285.382 3.258 20 0 CGADHO FC1(F)CCCC[C@@H]1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662277518 419381186 /nfs/dbraw/zinc/38/11/86/419381186.db2.gz VOBFUMFVHAQLQM-RBSFLKMASA-N 1 3 286.410 3.276 20 0 CGADHO CC1(C)CCCC[C@H]1C[NH2+][C@H]1CCNCC1(C)C ZINC000662276576 419382326 /nfs/dbraw/zinc/38/23/26/419382326.db2.gz KPDKUZLWROMJAM-KBPBESRZSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C[C@H]1CN ZINC000662280129 419382466 /nfs/dbraw/zinc/38/24/66/419382466.db2.gz CTZOBAXAHPIZMF-DJIMGWMZSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1CN ZINC000662280129 419382468 /nfs/dbraw/zinc/38/24/68/419382468.db2.gz CTZOBAXAHPIZMF-DJIMGWMZSA-N 1 3 272.436 3.023 20 0 CGADHO C[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000662280129 419382470 /nfs/dbraw/zinc/38/24/70/419382470.db2.gz CTZOBAXAHPIZMF-DJIMGWMZSA-N 1 3 272.436 3.023 20 0 CGADHO Cc1ccc2c(c1)CN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000662299675 419387121 /nfs/dbraw/zinc/38/71/21/419387121.db2.gz URWACQRUTYXGGC-UHFFFAOYSA-N 1 3 292.426 3.199 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)s1 ZINC000663347313 419568449 /nfs/dbraw/zinc/56/84/49/419568449.db2.gz KAPWNKUTPNBXMK-OAHLLOKOSA-N 1 3 278.465 3.268 20 0 CGADHO C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCN(CC2CC2)C1 ZINC000663463564 419615260 /nfs/dbraw/zinc/61/52/60/419615260.db2.gz ADHDJWQIQUBVOQ-HOTGVXAUSA-N 1 3 262.441 3.031 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@H]1C[C@H]1C ZINC000663466378 419621975 /nfs/dbraw/zinc/62/19/75/419621975.db2.gz RYKKIRQBCYCZCE-IWCQGFGOSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCC(C)(F)F ZINC000390083524 262113272 /nfs/dbraw/zinc/11/32/72/262113272.db2.gz DTRRUBPEUFWEDQ-QWHCGFSZSA-N 1 3 262.388 3.322 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)ccc2c1 ZINC000319692948 262349349 /nfs/dbraw/zinc/34/93/49/262349349.db2.gz SOJGQQIRUVORKB-AUUYWEPGSA-N 1 3 298.430 3.278 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)ccc2c1 ZINC000319692948 262349351 /nfs/dbraw/zinc/34/93/51/262349351.db2.gz SOJGQQIRUVORKB-AUUYWEPGSA-N 1 3 298.430 3.278 20 0 CGADHO Cc1cc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000044534278 270036026 /nfs/dbraw/zinc/03/60/26/270036026.db2.gz UJKJGYTWEHJTNU-JSGCOSHPSA-N 1 3 266.454 3.357 20 0 CGADHO Cc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534278 270036028 /nfs/dbraw/zinc/03/60/28/270036028.db2.gz UJKJGYTWEHJTNU-JSGCOSHPSA-N 1 3 266.454 3.357 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000305168338 270092351 /nfs/dbraw/zinc/09/23/51/270092351.db2.gz ZAYZSEQBSLBHST-DOTOQJQBSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000305168338 270092352 /nfs/dbraw/zinc/09/23/52/270092352.db2.gz ZAYZSEQBSLBHST-DOTOQJQBSA-N 1 3 296.499 3.170 20 0 CGADHO COc1cccc(CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156120 270112054 /nfs/dbraw/zinc/11/20/54/270112054.db2.gz KRWHLDAGRRJHOB-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO COc1cccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000524156120 270112055 /nfs/dbraw/zinc/11/20/55/270112055.db2.gz KRWHLDAGRRJHOB-UHFFFAOYSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC2(F)CC2)CC1 ZINC000527219182 270126946 /nfs/dbraw/zinc/12/69/46/270126946.db2.gz NXFJCWNKYKXHHJ-OAHLLOKOSA-N 1 3 282.447 3.465 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC2(F)CC2)CC1 ZINC000527219182 270126947 /nfs/dbraw/zinc/12/69/47/270126947.db2.gz NXFJCWNKYKXHHJ-OAHLLOKOSA-N 1 3 282.447 3.465 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527634956 270130200 /nfs/dbraw/zinc/13/02/00/270130200.db2.gz GUIFBIBSEWWJDR-UHFFFAOYSA-N 1 3 285.435 3.378 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@H]1CC12CC2 ZINC000527844188 270139160 /nfs/dbraw/zinc/13/91/60/270139160.db2.gz GPLOOLJNMBQZON-SOUVJXGZSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@H]1CC12CC2 ZINC000527888064 270142043 /nfs/dbraw/zinc/14/20/43/270142043.db2.gz QHGWQRPDJFCDOY-KLZNWCGWSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@@H]1CC12CC2 ZINC000527888063 270142113 /nfs/dbraw/zinc/14/21/13/270142113.db2.gz QHGWQRPDJFCDOY-IVSAIRAKSA-N 1 3 276.468 3.418 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527357 270182388 /nfs/dbraw/zinc/18/23/88/270182388.db2.gz DASLJUAZJYRACF-RDTXWAMCSA-N 1 3 285.435 3.330 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3cc[nH]c3c2)[C@H](C)C1 ZINC000529527357 270182389 /nfs/dbraw/zinc/18/23/89/270182389.db2.gz DASLJUAZJYRACF-RDTXWAMCSA-N 1 3 285.435 3.330 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530215807 270195703 /nfs/dbraw/zinc/19/57/03/270195703.db2.gz JDRNFEQRSQUPEW-SQNIBIBYSA-N 1 3 284.447 3.371 20 0 CGADHO C[NH2+]CCCN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000530233618 270196964 /nfs/dbraw/zinc/19/69/64/270196964.db2.gz YSYQIYPVBZEMGD-HNNXBMFYSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1csc2ccccc12 ZINC000131713260 274399818 /nfs/dbraw/zinc/39/98/18/274399818.db2.gz LROOWQLGUCRAIK-VXGBXAGGSA-N 1 3 260.406 3.070 20 0 CGADHO c1ccc([C@H]2CCC[N@@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000346843255 275068617 /nfs/dbraw/zinc/06/86/17/275068617.db2.gz XSDLOVUFWBKDSB-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO c1ccc([C@H]2CCC[N@H+](C[C@H]3CCCNC3)CC2)cc1 ZINC000346843255 275068618 /nfs/dbraw/zinc/06/86/18/275068618.db2.gz XSDLOVUFWBKDSB-WMZOPIPTSA-N 1 3 272.436 3.256 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280805447 275068847 /nfs/dbraw/zinc/06/88/47/275068847.db2.gz LHLRPZVXQHIYDB-BRSBDYLESA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280805447 275068848 /nfs/dbraw/zinc/06/88/48/275068848.db2.gz LHLRPZVXQHIYDB-BRSBDYLESA-N 1 3 270.420 3.149 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000464793884 276072765 /nfs/dbraw/zinc/07/27/65/276072765.db2.gz UXECNCFWTHPVPM-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000464793884 276072766 /nfs/dbraw/zinc/07/27/66/276072766.db2.gz UXECNCFWTHPVPM-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCC2CCCCC2)C1 ZINC000464793884 276072767 /nfs/dbraw/zinc/07/27/67/276072767.db2.gz UXECNCFWTHPVPM-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCC2CCCCC2)C1 ZINC000464793884 276072768 /nfs/dbraw/zinc/07/27/68/276072768.db2.gz UXECNCFWTHPVPM-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513208145 276292735 /nfs/dbraw/zinc/29/27/35/276292735.db2.gz NIUISFGEEFEILV-SZMVWBNQSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000513208145 276292736 /nfs/dbraw/zinc/29/27/36/276292736.db2.gz NIUISFGEEFEILV-SZMVWBNQSA-N 1 3 296.499 3.170 20 0 CGADHO CCS[C@@H]1CCC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422820985 276397619 /nfs/dbraw/zinc/39/76/19/276397619.db2.gz TXVVZBGYBJQGJQ-GBJTYRQASA-N 1 3 270.486 3.171 20 0 CGADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422818623 276398489 /nfs/dbraw/zinc/39/84/89/276398489.db2.gz LBGCUXTYXAPYRP-BYNSBNAKSA-N 1 3 270.486 3.028 20 0 CGADHO CC[C@H](C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000481032872 276613178 /nfs/dbraw/zinc/61/31/78/276613178.db2.gz IWQUTXUDNBLIPF-GVDBMIGSSA-N 1 3 296.499 3.244 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000341403550 276833798 /nfs/dbraw/zinc/83/37/98/276833798.db2.gz NFGANUVPELRFIH-IECFSIQFSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000290382718 277023191 /nfs/dbraw/zinc/02/31/91/277023191.db2.gz RUTZNRFDYGZYDA-GOSISDBHSA-N 1 3 295.430 3.397 20 0 CGADHO COC[C@H](CC(C)C)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480599946 277259734 /nfs/dbraw/zinc/25/97/34/277259734.db2.gz FBFDXNFFUHNGAT-BBWFWOEESA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000480599946 277259735 /nfs/dbraw/zinc/25/97/35/277259735.db2.gz FBFDXNFFUHNGAT-BBWFWOEESA-N 1 3 284.488 3.005 20 0 CGADHO COC[C@H](CC(C)C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000480599946 277259736 /nfs/dbraw/zinc/25/97/36/277259736.db2.gz FBFDXNFFUHNGAT-BBWFWOEESA-N 1 3 284.488 3.005 20 0 CGADHO C[NH2+]CCCN[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414856434 277268684 /nfs/dbraw/zinc/26/86/84/277268684.db2.gz ADGDTUOIMZVMPA-HIFRSBDPSA-N 1 3 266.816 3.175 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414856434 277268685 /nfs/dbraw/zinc/26/86/85/277268685.db2.gz ADGDTUOIMZVMPA-HIFRSBDPSA-N 1 3 266.816 3.175 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090714605 277341490 /nfs/dbraw/zinc/34/14/90/277341490.db2.gz QUXNJLCNBOSJNN-BHUNQDJPSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000437777532 277391944 /nfs/dbraw/zinc/39/19/44/277391944.db2.gz RTDHRJHXBUBICG-HNNXBMFYSA-N 1 3 254.462 3.380 20 0 CGADHO CC(C)OCCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224996795 277676566 /nfs/dbraw/zinc/67/65/66/277676566.db2.gz QFFUIEPAPFSHHZ-CVEARBPZSA-N 1 3 270.461 3.092 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000422718166 277789158 /nfs/dbraw/zinc/78/91/58/277789158.db2.gz PFWCQJLIFDCXBC-FPCVCCKLSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H](C2CC2)C2CCC2)C[C@@H](C)O1 ZINC000453072790 277889242 /nfs/dbraw/zinc/88/92/42/277889242.db2.gz AUUCYNWMGBMTOA-IIDMSEBBSA-N 1 3 294.483 3.044 20 0 CGADHO CSC1(CN(C)CC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000356127373 278122432 /nfs/dbraw/zinc/12/24/32/278122432.db2.gz OBDZZVBERMUMMJ-CQSZACIVSA-N 1 3 270.486 3.078 20 0 CGADHO CSC1(CN(C)CC[C@H]2CCCC[N@H+]2C)CCC1 ZINC000356127373 278122433 /nfs/dbraw/zinc/12/24/33/278122433.db2.gz OBDZZVBERMUMMJ-CQSZACIVSA-N 1 3 270.486 3.078 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)N1CCCCC1 ZINC000502476718 278174018 /nfs/dbraw/zinc/17/40/18/278174018.db2.gz YOPVWUDIQFYNTQ-VQHPVUNQSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000397250863 288022168 /nfs/dbraw/zinc/02/21/68/288022168.db2.gz DERHPMJCNRKNRY-KEYYUXOJSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000397250863 288022169 /nfs/dbraw/zinc/02/21/69/288022169.db2.gz DERHPMJCNRKNRY-KEYYUXOJSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@@H]1CN ZINC000397250863 288022170 /nfs/dbraw/zinc/02/21/70/288022170.db2.gz DERHPMJCNRKNRY-KEYYUXOJSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)c(Cl)c1 ZINC000424335900 278270952 /nfs/dbraw/zinc/27/09/52/278270952.db2.gz PQSLSEFZINJBSV-CUOATXAZSA-N 1 3 270.779 3.400 20 0 CGADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000250907691 278283378 /nfs/dbraw/zinc/28/33/78/278283378.db2.gz SLXCHFGPCNHDJT-BPUTZDHNSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1Cc2ccccc2C1 ZINC000235123206 278294735 /nfs/dbraw/zinc/29/47/35/278294735.db2.gz LRIGUANLWDXEJF-WMLDXEAASA-N 1 3 272.436 3.054 20 0 CGADHO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000252979344 278319015 /nfs/dbraw/zinc/31/90/15/278319015.db2.gz HMZYSSGJLYIUJX-RRFJBIMHSA-N 1 3 252.446 3.323 20 0 CGADHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccn1 ZINC000245910998 278344055 /nfs/dbraw/zinc/34/40/55/278344055.db2.gz MLAYECRCXSZDTL-BRWVUGGUSA-N 1 3 289.467 3.490 20 0 CGADHO CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCCC1 ZINC000251139219 278463150 /nfs/dbraw/zinc/46/31/50/278463150.db2.gz IVKOTSXUYFIYKI-ARFHVFGLSA-N 1 3 264.457 3.467 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccc(Cl)cc1 ZINC000422733244 278621777 /nfs/dbraw/zinc/62/17/77/278621777.db2.gz QQVCUHCCPWCGMQ-SWLSCSKDSA-N 1 3 280.843 3.335 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371591 288085341 /nfs/dbraw/zinc/08/53/41/288085341.db2.gz YLTBZGFIEFIWLG-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371591 288085343 /nfs/dbraw/zinc/08/53/43/288085343.db2.gz YLTBZGFIEFIWLG-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371591 288085345 /nfs/dbraw/zinc/08/53/45/288085345.db2.gz YLTBZGFIEFIWLG-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@H]21 ZINC000459371591 288085347 /nfs/dbraw/zinc/08/53/47/288085347.db2.gz YLTBZGFIEFIWLG-RTBURBONSA-N 1 3 284.447 3.480 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414948663 278936053 /nfs/dbraw/zinc/93/60/53/278936053.db2.gz MNAJGGMLGBXMDH-OIISXLGYSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCCC1 ZINC000359623279 279013720 /nfs/dbraw/zinc/01/37/20/279013720.db2.gz UPNBSPXYHRKCJC-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CC[C@H](c1ccc(F)cc1F)N1CCC(C[NH3+])CC1 ZINC000430638223 288153665 /nfs/dbraw/zinc/15/36/65/288153665.db2.gz DYUQFQBKEAAUAF-OAHLLOKOSA-N 1 3 268.351 3.087 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000246853563 288160138 /nfs/dbraw/zinc/16/01/38/288160138.db2.gz BPVIOYJZTISAJQ-QBPKDAKJSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](C)[C@@H](CNC1CC[NH+](C2CCCC2)CC1)OC ZINC000449404761 280116087 /nfs/dbraw/zinc/11/60/87/280116087.db2.gz WABAVIOURFORBK-RHSMWYFYSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](C)[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)OC ZINC000449404761 280116090 /nfs/dbraw/zinc/11/60/90/280116090.db2.gz WABAVIOURFORBK-RHSMWYFYSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCCC1 ZINC000430695152 280319369 /nfs/dbraw/zinc/31/93/69/280319369.db2.gz GIVVZJMUJCDEES-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529537850 288260377 /nfs/dbraw/zinc/26/03/77/288260377.db2.gz HPKQEULBWLLBHB-STQMWFEESA-N 1 3 274.399 3.130 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H](NCC[C@H]1CCC[NH2+]1)CC3 ZINC000414900401 281034694 /nfs/dbraw/zinc/03/46/94/281034694.db2.gz DIHIWAGSBNHZGI-HUUCEWRRSA-N 1 3 297.446 3.065 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)CC3 ZINC000333156832 281036657 /nfs/dbraw/zinc/03/66/57/281036657.db2.gz NDFANRZPQLZHBL-QLFBSQMISA-N 1 3 297.446 3.193 20 0 CGADHO CC1(C)CCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530207082 288299792 /nfs/dbraw/zinc/29/97/92/288299792.db2.gz CZOZRBZFXGHAIW-JKXDFHQYSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)CCC[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000530179990 288296795 /nfs/dbraw/zinc/29/67/95/288296795.db2.gz ZJMCYTHWMWVKJW-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000531699759 288340809 /nfs/dbraw/zinc/34/08/09/288340809.db2.gz FVUIYVQKAZGTHR-HZPDHXFCSA-N 1 3 252.446 3.443 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000531702538 288341138 /nfs/dbraw/zinc/34/11/38/288341138.db2.gz IMKPBRKSCORRGQ-XHSDSOJGSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C(C)C ZINC000531704534 288341339 /nfs/dbraw/zinc/34/13/39/288341339.db2.gz GIGPUTCHFMJEFV-GOSISDBHSA-N 1 3 292.467 3.194 20 0 CGADHO C[C@@H](CN1C[C@H](C)C[C@H]1C)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000533432388 288381117 /nfs/dbraw/zinc/38/11/17/288381117.db2.gz ZKGBWZMRRKFEMM-DGXTUMSLSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@@H](CN1C[C@H](C)C[C@H]1C)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533432388 288381120 /nfs/dbraw/zinc/38/11/20/288381120.db2.gz ZKGBWZMRRKFEMM-DGXTUMSLSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN1C[C@H](C)C[C@@H]1C)C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000533432388 288381121 /nfs/dbraw/zinc/38/11/21/288381121.db2.gz ZKGBWZMRRKFEMM-DGXTUMSLSA-N 1 3 252.446 3.083 20 0 CGADHO C[C@H](CN1C[C@H](C)C[C@@H]1C)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000533432388 288381124 /nfs/dbraw/zinc/38/11/24/288381124.db2.gz ZKGBWZMRRKFEMM-DGXTUMSLSA-N 1 3 252.446 3.083 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000542149109 288735776 /nfs/dbraw/zinc/73/57/76/288735776.db2.gz XOKNWROGUHIUQT-XHSDSOJGSA-N 1 3 284.513 3.372 20 0 CGADHO COC[C@@H](CC(C)C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000548523821 289012080 /nfs/dbraw/zinc/01/20/80/289012080.db2.gz BRIFWTFELSXBQG-GOSISDBHSA-N 1 3 296.499 3.292 20 0 CGADHO COC[C@@H](CC(C)C)NC1CC[NH+](CC2CCCC2)CC1 ZINC000548523821 289012082 /nfs/dbraw/zinc/01/20/82/289012082.db2.gz BRIFWTFELSXBQG-GOSISDBHSA-N 1 3 296.499 3.292 20 0 CGADHO CCC[N@H+](CCCN(CC)CC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000548918424 289029096 /nfs/dbraw/zinc/02/90/96/289029096.db2.gz RIKVWKZCRWOAOI-BBWFWOEESA-N 1 3 296.499 3.244 20 0 CGADHO CCC[N@@H+](CCCN(CC)CC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000548918424 289029097 /nfs/dbraw/zinc/02/90/97/289029097.db2.gz RIKVWKZCRWOAOI-BBWFWOEESA-N 1 3 296.499 3.244 20 0 CGADHO CCC1CC([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000551778765 289131452 /nfs/dbraw/zinc/13/14/52/289131452.db2.gz IKFJSQQHTHLZPG-YHNBSYBMSA-N 1 3 264.457 3.418 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000556385497 289388795 /nfs/dbraw/zinc/38/87/95/289388795.db2.gz ITSVQLGROQTDAT-HNNXBMFYSA-N 1 3 254.462 3.236 20 0 CGADHO C[C@H]([NH2+]CCC1CCCCCC1)[C@H]1CCCNC1 ZINC000414827707 289949946 /nfs/dbraw/zinc/94/99/46/289949946.db2.gz YGIJXVUXIHOGOG-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H](C)C1CCCCC1 ZINC000423371561 290011775 /nfs/dbraw/zinc/01/17/75/290011775.db2.gz GPFIDCFEHWXOEV-BFJAYTPKSA-N 1 3 252.446 3.451 20 0 CGADHO C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000422799408 290025069 /nfs/dbraw/zinc/02/50/69/290025069.db2.gz WPGQOHSOLXXULD-RBZJEDDUSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCCN1 ZINC000422799408 290025070 /nfs/dbraw/zinc/02/50/70/290025070.db2.gz WPGQOHSOLXXULD-RBZJEDDUSA-N 1 3 250.430 3.075 20 0 CGADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000422792236 294461430 /nfs/dbraw/zinc/46/14/30/294461430.db2.gz VUMINMQKRRLBQF-VBNZEHGJSA-N 1 3 296.842 3.005 20 0 CGADHO NC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C2CC3CC(C2)CC1C3 ZINC000423521662 295209088 /nfs/dbraw/zinc/20/90/88/295209088.db2.gz GKEFITRZJLKUON-OMELKQHFSA-N 1 3 288.479 3.308 20 0 CGADHO NC1(C[NH2+][C@@H]2CCCC23CCC3)C2CC3CC(C2)CC1C3 ZINC000423531606 295209230 /nfs/dbraw/zinc/20/92/30/295209230.db2.gz SXSVFYRUTPWYFT-CMPFZWEDSA-N 1 3 288.479 3.452 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422847213 295248639 /nfs/dbraw/zinc/24/86/39/295248639.db2.gz HSBHHPJKSSZNRT-XUXIUFHCSA-N 1 3 292.389 3.462 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000227121839 295249082 /nfs/dbraw/zinc/24/90/82/295249082.db2.gz QWYXHCPFRKXDEC-LOWDOPEQSA-N 1 3 278.362 3.215 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423266702 295267280 /nfs/dbraw/zinc/26/72/80/295267280.db2.gz CAGPAGSUYQNAKD-RYKRPPSOSA-N 1 3 294.483 3.364 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)NC[C@H]1CC[NH2+]C1 ZINC000420415797 302125865 /nfs/dbraw/zinc/12/58/65/302125865.db2.gz VHVATVJZZMISNB-DOTOQJQBSA-N 1 3 260.425 3.281 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423365156 302244332 /nfs/dbraw/zinc/24/43/32/302244332.db2.gz PGYITXGWPFHSMK-MXASKKJJSA-N 1 3 287.451 3.004 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000423170670 303408367 /nfs/dbraw/zinc/40/83/67/303408367.db2.gz MQZJYIXDQPXKHW-GOEBONIOSA-N 1 3 292.854 3.380 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000261590472 303465550 /nfs/dbraw/zinc/46/55/50/303465550.db2.gz XBWFNWGZDRMBAA-ILXRZTDVSA-N 1 3 250.430 3.349 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CC12CCCC2 ZINC000423075067 304858888 /nfs/dbraw/zinc/85/88/88/304858888.db2.gz NKLCJBDRGJEJFR-VDZJLULYSA-N 1 3 298.430 3.165 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000157559018 321798757 /nfs/dbraw/zinc/79/87/57/321798757.db2.gz IGJREKUUFMAMTH-HNNXBMFYSA-N 1 3 294.483 3.188 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000563887914 322014460 /nfs/dbraw/zinc/01/44/60/322014460.db2.gz SSSQRLLBTPVLNL-QGZVFWFLSA-N 1 3 270.351 3.062 20 0 CGADHO CCc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000563944450 322016001 /nfs/dbraw/zinc/01/60/01/322016001.db2.gz KAPCRVZJIKMDIN-CJNGLKHVSA-N 1 3 278.465 3.275 20 0 CGADHO c1ccc2c(c1)CCCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000563951248 322016380 /nfs/dbraw/zinc/01/63/80/322016380.db2.gz UAAOTBFFXCLYOT-DOTOQJQBSA-N 1 3 258.409 3.186 20 0 CGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1C[C@@H]1C(F)F ZINC000563998063 322017805 /nfs/dbraw/zinc/01/78/05/322017805.db2.gz QHXZFABSZCWJDQ-GJZGRUSLSA-N 1 3 296.405 3.388 20 0 CGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1C[C@@H]1C(F)F ZINC000563998063 322017807 /nfs/dbraw/zinc/01/78/07/322017807.db2.gz QHXZFABSZCWJDQ-GJZGRUSLSA-N 1 3 296.405 3.388 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000564822928 322044934 /nfs/dbraw/zinc/04/49/34/322044934.db2.gz QKSCAFSWUGLMJA-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000564973394 322052211 /nfs/dbraw/zinc/05/22/11/322052211.db2.gz GFNSCMWVKCRAPW-UHFFFAOYSA-N 1 3 292.329 3.037 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000564988324 322052721 /nfs/dbraw/zinc/05/27/21/322052721.db2.gz DKEDIYBBOJOVIY-GOSISDBHSA-N 1 3 296.414 3.457 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCc2ccccc21)CN1CCCC1 ZINC000565567524 322082197 /nfs/dbraw/zinc/08/21/97/322082197.db2.gz RUJJHHAGHVLBEY-QGZVFWFLSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]([C@@H]1CCCNC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000566062634 322102454 /nfs/dbraw/zinc/10/24/54/322102454.db2.gz UWPZBPVUSQXNCL-QFBILLFUSA-N 1 3 286.463 3.329 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(C3CCC3)cc2)C1 ZINC000566483443 322125783 /nfs/dbraw/zinc/12/57/83/322125783.db2.gz UGXIGZILXBBJJA-IRXDYDNUSA-N 1 3 258.409 3.314 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000567647650 322172134 /nfs/dbraw/zinc/17/21/34/322172134.db2.gz FGNFFRRWSAXKHI-HNNXBMFYSA-N 1 3 295.430 3.275 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000568404750 322207559 /nfs/dbraw/zinc/20/75/59/322207559.db2.gz KPTODZPAQSMIJQ-RCCFBDPRSA-N 1 3 272.436 3.266 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000568404750 322207561 /nfs/dbraw/zinc/20/75/61/322207561.db2.gz KPTODZPAQSMIJQ-RCCFBDPRSA-N 1 3 272.436 3.266 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000568412924 322208616 /nfs/dbraw/zinc/20/86/16/322208616.db2.gz NSTCWRKXHZPXEL-CABCVRRESA-N 1 3 296.842 3.359 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000568412927 322208624 /nfs/dbraw/zinc/20/86/24/322208624.db2.gz NSTCWRKXHZPXEL-LSDHHAIUSA-N 1 3 296.842 3.359 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC1(OC)CCC1 ZINC000568774470 322222206 /nfs/dbraw/zinc/22/22/06/322222206.db2.gz IIWHUAJMTZOZTP-SJORKVTESA-N 1 3 296.499 3.436 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](NCCC[NH2+]C(C)C)C1 ZINC000568974413 322229749 /nfs/dbraw/zinc/22/97/49/322229749.db2.gz PZTWAGRZKDFSBW-SJORKVTESA-N 1 3 289.467 3.394 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCNC(C)C)C1 ZINC000568974413 322229750 /nfs/dbraw/zinc/22/97/50/322229750.db2.gz PZTWAGRZKDFSBW-SJORKVTESA-N 1 3 289.467 3.394 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502640 322275151 /nfs/dbraw/zinc/27/51/51/322275151.db2.gz HOGSHRXCCKSWIN-JKSUJKDBSA-N 1 3 250.430 3.149 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000570502640 322275153 /nfs/dbraw/zinc/27/51/53/322275153.db2.gz HOGSHRXCCKSWIN-JKSUJKDBSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@@H]2C=CCCCCC2)C1 ZINC000570502640 322275155 /nfs/dbraw/zinc/27/51/55/322275155.db2.gz HOGSHRXCCKSWIN-JKSUJKDBSA-N 1 3 250.430 3.149 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H]2C=CCCCCC2)C1 ZINC000570502640 322275156 /nfs/dbraw/zinc/27/51/56/322275156.db2.gz HOGSHRXCCKSWIN-JKSUJKDBSA-N 1 3 250.430 3.149 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582872 322277278 /nfs/dbraw/zinc/27/72/78/322277278.db2.gz MDVDWUSWSQFPTQ-HOTGVXAUSA-N 1 3 276.399 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000570582872 322277279 /nfs/dbraw/zinc/27/72/79/322277279.db2.gz MDVDWUSWSQFPTQ-HOTGVXAUSA-N 1 3 276.399 3.107 20 0 CGADHO CC1=CC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000570872204 322284399 /nfs/dbraw/zinc/28/43/99/322284399.db2.gz XXRLCFIIYXRGTC-OAHLLOKOSA-N 1 3 250.430 3.197 20 0 CGADHO CC1=CC[C@@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000572503125 322340615 /nfs/dbraw/zinc/34/06/15/322340615.db2.gz IQTGIGPICSSHCM-IXDOHACOSA-N 1 3 264.457 3.443 20 0 CGADHO C[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)CN(C)C ZINC000572503406 322340949 /nfs/dbraw/zinc/34/09/49/322340949.db2.gz UCCOAFFNUAOBHW-GUYCJALGSA-N 1 3 294.870 3.448 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000573324182 322382145 /nfs/dbraw/zinc/38/21/45/322382145.db2.gz JNGVXAPKXYINBL-DOMZBBRYSA-N 1 3 294.389 3.347 20 0 CGADHO [NH3+]CCC1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000574577787 322447391 /nfs/dbraw/zinc/44/73/91/322447391.db2.gz IIDDGWNVOTYNEN-INIZCTEOSA-N 1 3 278.827 3.388 20 0 CGADHO CCNCCC[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000574868792 322460557 /nfs/dbraw/zinc/46/05/57/322460557.db2.gz RJDPHKGQFLPBHU-UHFFFAOYSA-N 1 3 290.451 3.311 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C2CCC2)CCC1 ZINC000583434682 327362692 /nfs/dbraw/zinc/36/26/92/327362692.db2.gz FVDDXQIMKCHJIK-CYBMUJFWSA-N 1 3 287.451 3.470 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000582295230 328952196 /nfs/dbraw/zinc/95/21/96/328952196.db2.gz JXRVZWWKOMKSKI-XLWVJDPXSA-N 1 3 287.451 3.326 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2cccc3[nH]ccc32)c2ccccc21 ZINC000576338157 335191219 /nfs/dbraw/zinc/19/12/19/335191219.db2.gz UQMKNBZUHDDHGP-MJGOQNOKSA-N 1 3 291.398 3.445 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)C1=CCCCC1 ZINC000577626559 335381832 /nfs/dbraw/zinc/38/18/32/335381832.db2.gz JTBCROBWHQDFAC-LSDHHAIUSA-N 1 3 250.430 3.373 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000380686552 336016787 /nfs/dbraw/zinc/01/67/87/336016787.db2.gz DLJXTAAUZBUAOH-CABCVRRESA-N 1 3 278.440 3.324 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2CCCCCC2)C[C@@H](C)O1 ZINC000195250575 336050398 /nfs/dbraw/zinc/05/03/98/336050398.db2.gz MFWLWFUHEJAEOV-HZPDHXFCSA-N 1 3 282.472 3.188 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516187 336092680 /nfs/dbraw/zinc/09/26/80/336092680.db2.gz ZYFDAUIMZWZZLY-IRXDYDNUSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3occc3c2)C1 ZINC000581516187 336092682 /nfs/dbraw/zinc/09/26/82/336092682.db2.gz ZYFDAUIMZWZZLY-IRXDYDNUSA-N 1 3 284.403 3.349 20 0 CGADHO Cc1cc(C)c([C@H](C)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000383266008 336106715 /nfs/dbraw/zinc/10/67/15/336106715.db2.gz HPOVHRCXFHZWOB-ULQDDVLXSA-N 1 3 272.436 3.357 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@H]1CCCSC1 ZINC000384182268 336122563 /nfs/dbraw/zinc/12/25/63/336122563.db2.gz XDGRYMYZOJIGDK-QKPAOTATSA-N 1 3 282.497 3.030 20 0 CGADHO CCSc1cccc(C[N@H+](C)CCCN(C)C)c1 ZINC000581693702 336128821 /nfs/dbraw/zinc/12/88/21/336128821.db2.gz KQJXMWCTBGHTNJ-UHFFFAOYSA-N 1 3 266.454 3.182 20 0 CGADHO CCSc1cccc(C[N@@H+](C)CCCN(C)C)c1 ZINC000581693702 336128823 /nfs/dbraw/zinc/12/88/23/336128823.db2.gz KQJXMWCTBGHTNJ-UHFFFAOYSA-N 1 3 266.454 3.182 20 0 CGADHO CC(C)[N@H+](Cc1ccc2c(c1)CNCC2)C1CCC1 ZINC000581889188 336160588 /nfs/dbraw/zinc/16/05/88/336160588.db2.gz JXLJVAGHDLPPIS-UHFFFAOYSA-N 1 3 258.409 3.095 20 0 CGADHO CC(C)[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCC1 ZINC000581889188 336160589 /nfs/dbraw/zinc/16/05/89/336160589.db2.gz JXLJVAGHDLPPIS-UHFFFAOYSA-N 1 3 258.409 3.095 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000581895142 336162501 /nfs/dbraw/zinc/16/25/01/336162501.db2.gz USCKMORHNZFGJY-HOTGVXAUSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000581895142 336162502 /nfs/dbraw/zinc/16/25/02/336162502.db2.gz USCKMORHNZFGJY-HOTGVXAUSA-N 1 3 260.425 3.132 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3c(OC)cccc32)CC1 ZINC000581982251 336184139 /nfs/dbraw/zinc/18/41/39/336184139.db2.gz SXLKDPDXPDUVKF-KRWDZBQOSA-N 1 3 288.435 3.147 20 0 CGADHO C1[C@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000387223302 336188476 /nfs/dbraw/zinc/18/84/76/336188476.db2.gz ZVHFGENMTWYOMB-FZKCQIBNSA-N 1 3 262.441 3.220 20 0 CGADHO C1[C@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCCN2)C12CCCC2 ZINC000387223302 336188477 /nfs/dbraw/zinc/18/84/77/336188477.db2.gz ZVHFGENMTWYOMB-FZKCQIBNSA-N 1 3 262.441 3.220 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000582003227 336189112 /nfs/dbraw/zinc/18/91/12/336189112.db2.gz BEXWJWZNHYXFRC-RTBURBONSA-N 1 3 294.442 3.314 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000582003225 336189151 /nfs/dbraw/zinc/18/91/51/336189151.db2.gz BEXWJWZNHYXFRC-OALUTQOASA-N 1 3 294.442 3.314 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946141 521848077 /nfs/dbraw/zinc/84/80/77/521848077.db2.gz ZCYGRIFSFVHEFE-ZDUSSCGKSA-N 1 3 268.351 3.008 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC(C)(C)CO)CC2)C1 ZINC000449406858 533762688 /nfs/dbraw/zinc/76/26/88/533762688.db2.gz DBLVZIHLCDJSJI-NVXWUHKLSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC(C)(C)CO)CC2)C1 ZINC000449406858 533762694 /nfs/dbraw/zinc/76/26/94/533762694.db2.gz DBLVZIHLCDJSJI-NVXWUHKLSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423524276 533825200 /nfs/dbraw/zinc/82/52/00/533825200.db2.gz JDFBKQOZHLUVIP-NKHLHKDFSA-N 1 3 276.468 3.308 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000423473590 533884460 /nfs/dbraw/zinc/88/44/60/533884460.db2.gz YOQUXKMLJNBVON-LOWVWBTDSA-N 1 3 268.351 3.133 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cc2c(s1)CCCC2 ZINC000423322659 533896943 /nfs/dbraw/zinc/89/69/43/533896943.db2.gz OCAOCOOFNZAJHJ-GWCFXTLKSA-N 1 3 264.438 3.015 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310697 533896974 /nfs/dbraw/zinc/89/69/74/533896974.db2.gz ASNGIFULXVMGSM-ZANVPECISA-N 1 3 272.314 3.093 20 0 CGADHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000447139054 533917566 /nfs/dbraw/zinc/91/75/66/533917566.db2.gz NWGKXDHBSDKBJS-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000423284595 533967639 /nfs/dbraw/zinc/96/76/39/533967639.db2.gz WZWQCDPCWVWEAV-OQUILHJVSA-N 1 3 258.409 3.342 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)c2ccccc21 ZINC000423284595 533967648 /nfs/dbraw/zinc/96/76/48/533967648.db2.gz WZWQCDPCWVWEAV-OQUILHJVSA-N 1 3 258.409 3.342 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C2CC2)c1 ZINC000423366972 533984911 /nfs/dbraw/zinc/98/49/11/533984911.db2.gz MBHBCAGXLWPMBC-AFAVFJNCSA-N 1 3 258.409 3.485 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C2CC2)cc1 ZINC000423071150 534069556 /nfs/dbraw/zinc/06/95/56/534069556.db2.gz HHLMILZAPPPENZ-DYVFJYSZSA-N 1 3 258.409 3.042 20 0 CGADHO c1ccc(CC2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000422929035 534482385 /nfs/dbraw/zinc/48/23/85/534482385.db2.gz NYTWWCITTBPURI-JWTNVVGKSA-N 1 3 284.447 3.272 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183946141 521848062 /nfs/dbraw/zinc/84/80/62/521848062.db2.gz ZCYGRIFSFVHEFE-ZDUSSCGKSA-N 1 3 268.351 3.008 20 0 CGADHO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000088296550 522017444 /nfs/dbraw/zinc/01/74/44/522017444.db2.gz GORRIDJPTSVODQ-HUUCEWRRSA-N 1 3 275.440 3.465 20 0 CGADHO CC[C@@H](C)C[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000088296553 522025895 /nfs/dbraw/zinc/02/58/95/522025895.db2.gz GORRIDJPTSVODQ-CABCVRRESA-N 1 3 275.440 3.465 20 0 CGADHO COc1ccsc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000186153840 524885974 /nfs/dbraw/zinc/88/59/74/524885974.db2.gz QURCZUGLCAIFGA-LBPRGKRZSA-N 1 3 282.453 3.139 20 0 CGADHO CSC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000150974726 525692603 /nfs/dbraw/zinc/69/26/03/525692603.db2.gz BQOKWDFCHVTZAY-ZDUSSCGKSA-N 1 3 270.486 3.125 20 0 CGADHO CSC[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000150974726 525692613 /nfs/dbraw/zinc/69/26/13/525692613.db2.gz BQOKWDFCHVTZAY-ZDUSSCGKSA-N 1 3 270.486 3.125 20 0 CGADHO C1[C@@H](N[C@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@@H]1C1CCC1 ZINC000424372162 526423999 /nfs/dbraw/zinc/42/39/99/526423999.db2.gz HHQDSINQYHJTAN-BPKGMFCQSA-N 1 3 262.441 3.075 20 0 CGADHO C1[C@@H]([NH2+][C@H]2CCC[C@@H]2[C@H]2CCCCN2)[C@@H]1C1CCC1 ZINC000424372162 526424006 /nfs/dbraw/zinc/42/40/06/526424006.db2.gz HHQDSINQYHJTAN-BPKGMFCQSA-N 1 3 262.441 3.075 20 0 CGADHO CC(C)(N)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423286430 527256905 /nfs/dbraw/zinc/25/69/05/527256905.db2.gz HEWVMLIXEMYLRY-CYBMUJFWSA-N 1 3 286.341 3.483 20 0 CGADHO C(CC1CCOCC1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000368650719 527476209 /nfs/dbraw/zinc/47/62/09/527476209.db2.gz RERUQGVOIQWAGA-GOSISDBHSA-N 1 3 294.483 3.144 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCCO)CC1 ZINC000449285002 527647602 /nfs/dbraw/zinc/64/76/02/527647602.db2.gz CRRDWBFGLIUJDK-UHFFFAOYSA-N 1 3 284.488 3.028 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000423378951 527831401 /nfs/dbraw/zinc/83/14/01/527831401.db2.gz XAQDWDDUPVORQJ-WCVJEAGWSA-N 1 3 252.446 3.451 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCC2 ZINC000357863680 527936376 /nfs/dbraw/zinc/93/63/76/527936376.db2.gz ZSBDVSBLACVCHD-JKSUJKDBSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C12CCC2 ZINC000357863680 527936384 /nfs/dbraw/zinc/93/63/84/527936384.db2.gz ZSBDVSBLACVCHD-JKSUJKDBSA-N 1 3 294.483 3.046 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000436469065 528061878 /nfs/dbraw/zinc/06/18/78/528061878.db2.gz UYCBGGSGCLPWQM-YBXZHIRMSA-N 1 3 284.447 3.323 20 0 CGADHO CC1(c2ccccc2)CC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000436469065 528061881 /nfs/dbraw/zinc/06/18/81/528061881.db2.gz UYCBGGSGCLPWQM-YBXZHIRMSA-N 1 3 284.447 3.323 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1Cl ZINC000423299585 528202962 /nfs/dbraw/zinc/20/29/62/528202962.db2.gz BYGGXWMGYMHLLN-VXGBXAGGSA-N 1 3 284.831 3.373 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074741 528261235 /nfs/dbraw/zinc/26/12/35/528261235.db2.gz OKDUINVBFMDALI-OAGGEKHMSA-N 1 3 296.499 3.290 20 0 CGADHO CCOc1ccc([C@@H](CC)NC[C@@H](C)C[NH3+])cc1OCC ZINC000423300370 528598559 /nfs/dbraw/zinc/59/85/59/528598559.db2.gz RLIYCTYVQDIBOR-DZGCQCFKSA-N 1 3 294.439 3.120 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CS1 ZINC000369670415 528766054 /nfs/dbraw/zinc/76/60/54/528766054.db2.gz MFTOOTFLKMSJNY-KNIAUWFNSA-N 1 3 282.497 3.123 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423287156 528955793 /nfs/dbraw/zinc/95/57/93/528955793.db2.gz KQCAFCZGMWWVGA-XHDPSFHLSA-N 1 3 264.388 3.166 20 0 CGADHO CCC[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000414194612 529008953 /nfs/dbraw/zinc/00/89/53/529008953.db2.gz ULGSQQMIHPCESY-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO CCC[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000414194612 529008957 /nfs/dbraw/zinc/00/89/57/529008957.db2.gz ULGSQQMIHPCESY-HZPDHXFCSA-N 1 3 275.440 3.244 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)N[C@H](C)[C@@H](C)[NH3+] ZINC000423432389 529028977 /nfs/dbraw/zinc/02/89/77/529028977.db2.gz BJLQKIGWLYTHLL-NFAWXSAZSA-N 1 3 266.454 3.129 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)NCC[C@H](C)[NH3+] ZINC000423226976 529029141 /nfs/dbraw/zinc/02/91/41/529029141.db2.gz TTZOCBSOQNUIDE-ZFWWWQNUSA-N 1 3 266.454 3.130 20 0 CGADHO CC(C)[C@H](NC[C@H](C)C[NH3+])c1cc2ccccc2o1 ZINC000423301353 529122399 /nfs/dbraw/zinc/12/23/99/529122399.db2.gz FSOSOFYPUGIICR-WBMJQRKESA-N 1 3 260.381 3.314 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(Cl)s1 ZINC000423341181 529157703 /nfs/dbraw/zinc/15/77/03/529157703.db2.gz XRRHDCLVRDPOPA-SECBINFHSA-N 1 3 258.818 3.324 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccccc2OC(F)F)C1 ZINC000459738602 536384733 /nfs/dbraw/zinc/38/47/33/536384733.db2.gz RZNHODXCOQTXKD-CYBMUJFWSA-N 1 3 298.377 3.110 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccccc2OC(F)F)C1 ZINC000459738602 536384736 /nfs/dbraw/zinc/38/47/36/536384736.db2.gz RZNHODXCOQTXKD-CYBMUJFWSA-N 1 3 298.377 3.110 20 0 CGADHO COc1ccc([C@H]2CCCCC[N@@H+]2CC(C)(C)N)cc1 ZINC000469879174 536937007 /nfs/dbraw/zinc/93/70/07/536937007.db2.gz ILHJPOUIIAGYEV-MRXNPFEDSA-N 1 3 276.424 3.350 20 0 CGADHO COc1ccc([C@H]2CCCCC[N@H+]2CC(C)(C)N)cc1 ZINC000469879174 536937010 /nfs/dbraw/zinc/93/70/10/536937010.db2.gz ILHJPOUIIAGYEV-MRXNPFEDSA-N 1 3 276.424 3.350 20 0 CGADHO CCc1ccc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000205372126 572337337 /nfs/dbraw/zinc/33/73/37/572337337.db2.gz QSPDPKATQVQRBK-KRWDZBQOSA-N 1 3 286.463 3.428 20 0 CGADHO CCc1ccc(C2CC[NH+](C[C@H]3CCCNC3)CC2)cc1 ZINC000205372126 572337340 /nfs/dbraw/zinc/33/73/40/572337340.db2.gz QSPDPKATQVQRBK-KRWDZBQOSA-N 1 3 286.463 3.428 20 0 CGADHO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CCN(C)CC1 ZINC000396452424 572485477 /nfs/dbraw/zinc/48/54/77/572485477.db2.gz KHTLLDCGHOIOFO-CYBMUJFWSA-N 1 3 272.392 3.253 20 0 CGADHO C[C@@H]1CCC[C@@](CNC(=[NH2+])Nc2ccccc2)(N(C)C)C1 ZINC000052047924 618807738 /nfs/dbraw/zinc/80/77/38/618807738.db2.gz AUMNVKCYMQLSHF-RHSMWYFYSA-N 1 3 288.439 3.133 20 0 CGADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCc3occc32)C1 ZINC000925606557 619083099 /nfs/dbraw/zinc/08/30/99/619083099.db2.gz ODWFGYIWIRFTJB-YRGRVCCFSA-N 1 3 262.397 3.153 20 0 CGADHO FC(F)(F)CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925605095 619083142 /nfs/dbraw/zinc/08/31/42/619083142.db2.gz PBNIZZGEPUCLDF-CHWSQXEVSA-N 1 3 278.362 3.087 20 0 CGADHO Cc1nc2c(s1)[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)CCC2 ZINC000925633520 619098691 /nfs/dbraw/zinc/09/86/91/619098691.db2.gz YFIHDCVYUCJNGG-SGMGOOAPSA-N 1 3 293.480 3.325 20 0 CGADHO C(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C[C@H]1CCCCO1 ZINC000925640171 619101081 /nfs/dbraw/zinc/10/10/81/619101081.db2.gz QSAFSOFGFIEIPT-KURKYZTESA-N 1 3 294.483 3.094 20 0 CGADHO C(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C[C@H]1CCCCO1 ZINC000925640174 619101340 /nfs/dbraw/zinc/10/13/40/619101340.db2.gz QSAFSOFGFIEIPT-SQNIBIBYSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@]1(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1(F)F ZINC000925707376 619155108 /nfs/dbraw/zinc/15/51/08/619155108.db2.gz IBUOCGHIGDXHCQ-ZNMIVQPWSA-N 1 3 286.410 3.180 20 0 CGADHO CC(C)(C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CC(F)F ZINC000925732425 619206902 /nfs/dbraw/zinc/20/69/02/619206902.db2.gz ATUIZLNCDKIQNM-KGYLQXTDSA-N 1 3 274.399 3.034 20 0 CGADHO CC(C)([NH3+])CCN[C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000925739328 619212707 /nfs/dbraw/zinc/21/27/07/619212707.db2.gz VZPKYOWDRMYWSM-JKSUJKDBSA-N 1 3 294.414 3.153 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(Cl)c1 ZINC000925777436 619240207 /nfs/dbraw/zinc/24/02/07/619240207.db2.gz DOXJEKKUQXZRKS-CMPLNLGQSA-N 1 3 288.769 3.235 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1cnc2ccccc2c1 ZINC000925834899 619286462 /nfs/dbraw/zinc/28/64/62/619286462.db2.gz JEMREFHTLQRORP-AEFFLSMTSA-N 1 3 283.419 3.027 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1coc2ccccc12 ZINC000925010193 619489628 /nfs/dbraw/zinc/48/96/28/619489628.db2.gz LGJYDJPTYXZTQE-KGLIPLIRSA-N 1 3 272.392 3.425 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1coc2ccccc12 ZINC000925010193 619489634 /nfs/dbraw/zinc/48/96/34/619489634.db2.gz LGJYDJPTYXZTQE-KGLIPLIRSA-N 1 3 272.392 3.425 20 0 CGADHO Cc1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000894416347 619527201 /nfs/dbraw/zinc/52/72/01/619527201.db2.gz CBGLFBGNZVBCMT-DFNIBXOVSA-N 1 3 286.463 3.403 20 0 CGADHO Cc1ccc(CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000894416347 619527205 /nfs/dbraw/zinc/52/72/05/619527205.db2.gz CBGLFBGNZVBCMT-DFNIBXOVSA-N 1 3 286.463 3.403 20 0 CGADHO C[NH+]1CCC(CNC2(c3ccccc3Cl)CC2)CC1 ZINC000895092444 619725152 /nfs/dbraw/zinc/72/51/52/619725152.db2.gz RIMGBRJMFOITEL-UHFFFAOYSA-N 1 3 278.827 3.261 20 0 CGADHO CN(CCCC[NH+]1CCCCC1)Cc1cccc(F)c1N ZINC000895682453 619871976 /nfs/dbraw/zinc/87/19/76/619871976.db2.gz DJOJYBSIZXQVCP-UHFFFAOYSA-N 1 3 293.430 3.106 20 0 CGADHO [NH3+]CCCC[C@H](N[C@@H]1C=CCC1)c1ccc(F)cc1F ZINC000902391618 621301981 /nfs/dbraw/zinc/30/19/81/621301981.db2.gz HLONYPSGZOCLNP-CJNGLKHVSA-N 1 3 280.362 3.443 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902476263 621325819 /nfs/dbraw/zinc/32/58/19/621325819.db2.gz OJBGHYDSURIWPT-PQEBFOHHSA-N 1 3 272.436 3.225 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452848 621331037 /nfs/dbraw/zinc/33/10/37/621331037.db2.gz MRGPIQNQGGETCY-MCPWVCTESA-N 1 3 294.389 3.460 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902453754 621332139 /nfs/dbraw/zinc/33/21/39/621332139.db2.gz QHKIAPQBJDMBDM-KBXIAJHMSA-N 1 3 262.441 3.075 20 0 CGADHO Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468217 621339144 /nfs/dbraw/zinc/33/91/44/621339144.db2.gz NGABANCBSPAUCR-QXEFRVRVSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)[C@@H](C)c1ccc(Cl)cc1 ZINC000902469378 621340036 /nfs/dbraw/zinc/34/00/36/621340036.db2.gz PUEJXSWZKAASND-XDAAZBQQSA-N 1 3 278.827 3.315 20 0 CGADHO Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H]3N4)C2)c1 ZINC000902468771 621340609 /nfs/dbraw/zinc/34/06/09/621340609.db2.gz VEWBLJQSFZCXJP-LMLQULGWSA-N 1 3 290.838 3.459 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902484326 621353901 /nfs/dbraw/zinc/35/39/01/621353901.db2.gz VQGPKQWSFWEHKU-AGIUHOORSA-N 1 3 278.362 3.229 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903122372 621588888 /nfs/dbraw/zinc/58/88/88/621588888.db2.gz YSJDGDMKPFJCKO-DSLRARGZSA-N 1 3 296.458 3.365 20 0 CGADHO c1ccc(C[C@@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903122372 621588890 /nfs/dbraw/zinc/58/88/90/621588890.db2.gz YSJDGDMKPFJCKO-DSLRARGZSA-N 1 3 296.458 3.365 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381185 621722052 /nfs/dbraw/zinc/72/20/52/621722052.db2.gz SNIVVAIOPWNZIT-RCCFBDPRSA-N 1 3 289.467 3.489 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903452312 621761632 /nfs/dbraw/zinc/76/16/32/621761632.db2.gz LABMURXQSLSBIN-ARFHVFGLSA-N 1 3 294.389 3.239 20 0 CGADHO NC[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856164 621821050 /nfs/dbraw/zinc/82/10/50/621821050.db2.gz QRLKQTLCDZODSH-GXTWGEPZSA-N 1 3 284.325 3.019 20 0 CGADHO NC[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856164 621821054 /nfs/dbraw/zinc/82/10/54/621821054.db2.gz QRLKQTLCDZODSH-GXTWGEPZSA-N 1 3 284.325 3.019 20 0 CGADHO CC[N@H+](C[C@H](N)CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887297 621822258 /nfs/dbraw/zinc/82/22/58/621822258.db2.gz YKNJARRTHBOECZ-GXFFZTMASA-N 1 3 274.330 3.191 20 0 CGADHO CC[N@@H+](C[C@H](N)CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000903887297 621822263 /nfs/dbraw/zinc/82/22/63/621822263.db2.gz YKNJARRTHBOECZ-GXFFZTMASA-N 1 3 274.330 3.191 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420140 621921936 /nfs/dbraw/zinc/92/19/36/621921936.db2.gz CZOMKVATYLVKSJ-OGWHTMIXSA-N 1 3 284.447 3.038 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC000904420140 621921939 /nfs/dbraw/zinc/92/19/39/621921939.db2.gz CZOMKVATYLVKSJ-OGWHTMIXSA-N 1 3 284.447 3.038 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000232421282 623386978 /nfs/dbraw/zinc/38/69/78/623386978.db2.gz BPZCWOHBMCVYIC-CYBMUJFWSA-N 1 3 282.403 3.131 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC2(c3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925472105 624423705 /nfs/dbraw/zinc/42/37/05/624423705.db2.gz ABKMXEQTCYHCPX-LSDHHAIUSA-N 1 3 290.838 3.231 20 0 CGADHO Cc1ccsc1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925479359 624475557 /nfs/dbraw/zinc/47/55/57/624475557.db2.gz GOQLPCCXFBTELF-CABCVRRESA-N 1 3 278.465 3.314 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925479362 624475638 /nfs/dbraw/zinc/47/56/38/624475638.db2.gz GOQLPCCXFBTELF-LSDHHAIUSA-N 1 3 278.465 3.314 20 0 CGADHO [NH3+]C[C@H]1CN(CC2CCC3(CC3)CC2)C[C@@H]1C(F)(F)F ZINC000923425208 626152269 /nfs/dbraw/zinc/15/22/69/626152269.db2.gz JRUTTYPCBVHIGF-STQMWFEESA-N 1 3 290.373 3.026 20 0 CGADHO Cc1nc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)sc1C(C)(C)C ZINC000923429118 626152860 /nfs/dbraw/zinc/15/28/60/626152860.db2.gz PQEMAHOBBYVIFP-DGCLKSJQSA-N 1 3 295.496 3.166 20 0 CGADHO COc1cc(C)c([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc1C ZINC000753644675 626460893 /nfs/dbraw/zinc/46/08/93/626460893.db2.gz WCBZTGGJTKVOCS-LSDHHAIUSA-N 1 3 278.440 3.303 20 0 CGADHO C[C@H](c1ccncc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757882500 626812576 /nfs/dbraw/zinc/81/25/76/626812576.db2.gz PXRQNVYHTRNWOX-OAHLLOKOSA-N 1 3 283.419 3.336 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCc3ccccc32)CC1 ZINC000759967435 626933239 /nfs/dbraw/zinc/93/32/39/626933239.db2.gz PMWNATNUXLMCEI-SJORKVTESA-N 1 3 272.436 3.133 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)CC1 ZINC000759967435 626933242 /nfs/dbraw/zinc/93/32/42/626933242.db2.gz PMWNATNUXLMCEI-SJORKVTESA-N 1 3 272.436 3.133 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccccc2N(C)CC)CC1 ZINC000765850408 627275161 /nfs/dbraw/zinc/27/51/61/627275161.db2.gz UTAHEJBHGVVUFD-UHFFFAOYSA-N 1 3 289.467 3.107 20 0 CGADHO Cc1ccc([C@H](NCCCC[NH+](C)C)c2ccccn2)cc1 ZINC000791636526 629294033 /nfs/dbraw/zinc/29/40/33/629294033.db2.gz DFWQMAGZAUKOJY-IBGZPJMESA-N 1 3 297.446 3.411 20 0 CGADHO Clc1ccc2c(n1)CC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000806127985 630545595 /nfs/dbraw/zinc/54/55/95/630545595.db2.gz LOMLUTMTOOVZLM-CQSZACIVSA-N 1 3 293.842 3.188 20 0 CGADHO CC[N@H+](CCNc1ccnc2cc(OC)ccc21)C(C)C ZINC000811799121 631120345 /nfs/dbraw/zinc/12/03/45/631120345.db2.gz QYJZWKSBWMLTBT-UHFFFAOYSA-N 1 3 287.407 3.386 20 0 CGADHO CC[N@@H+](CCNc1ccnc2cc(OC)ccc21)C(C)C ZINC000811799121 631120349 /nfs/dbraw/zinc/12/03/49/631120349.db2.gz QYJZWKSBWMLTBT-UHFFFAOYSA-N 1 3 287.407 3.386 20 0 CGADHO COc1cccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)c1 ZINC000817948060 632244346 /nfs/dbraw/zinc/24/43/46/632244346.db2.gz TXVGAHNYCATFCH-CQSZACIVSA-N 1 3 284.403 3.047 20 0 CGADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817947743 632244697 /nfs/dbraw/zinc/24/46/97/632244697.db2.gz PSMLCUNSQRTFLU-JQFCIGGWSA-N 1 3 288.435 3.050 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cc(F)cc(F)c1 ZINC000817949509 632245218 /nfs/dbraw/zinc/24/52/18/632245218.db2.gz QNWJGCGLRVYLLS-LBPRGKRZSA-N 1 3 290.357 3.317 20 0 CGADHO CC[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccsc1 ZINC000817949146 632245965 /nfs/dbraw/zinc/24/59/65/632245965.db2.gz OVCSCDJLSRMMBN-MRXNPFEDSA-N 1 3 274.433 3.490 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H]([NH3+])c1ccccc1 ZINC000817955137 632250401 /nfs/dbraw/zinc/25/04/01/632250401.db2.gz QUUFKJAWUAUVFY-ZWKOTPCHSA-N 1 3 266.388 3.272 20 0 CGADHO CC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCO2 ZINC000817982517 632273382 /nfs/dbraw/zinc/27/33/82/632273382.db2.gz UQAMZNCKLGHQBF-IAGOWNOFSA-N 1 3 288.435 3.180 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC000866236245 633038123 /nfs/dbraw/zinc/03/81/23/633038123.db2.gz AVRZIAUPSCWHQT-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CCC[NH+]1CCC(CNCc2ccnc(Cl)c2F)CC1 ZINC000823812879 633154376 /nfs/dbraw/zinc/15/43/76/633154376.db2.gz RCXICTLWMRVSFY-UHFFFAOYSA-N 1 3 299.821 3.086 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824773117 633286547 /nfs/dbraw/zinc/28/65/47/633286547.db2.gz JIPMSWXIWOZQKX-ZDUSSCGKSA-N 1 3 293.282 3.423 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000872017394 633938127 /nfs/dbraw/zinc/93/81/27/633938127.db2.gz AVNRHSWYCDTQPW-BBWFWOEESA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872034414 633953027 /nfs/dbraw/zinc/95/30/27/633953027.db2.gz NRYATKAMHXAJOC-BRWVUGGUSA-N 1 3 296.499 3.290 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873142526 634257473 /nfs/dbraw/zinc/25/74/73/634257473.db2.gz TWLDEGYYQSTHPQ-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873142526 634257478 /nfs/dbraw/zinc/25/74/78/634257478.db2.gz TWLDEGYYQSTHPQ-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873142526 634257486 /nfs/dbraw/zinc/25/74/86/634257486.db2.gz TWLDEGYYQSTHPQ-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO FC1CCC(C[NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873214077 634285699 /nfs/dbraw/zinc/28/56/99/634285699.db2.gz XDMRIVGFUBFDJH-UHFFFAOYSA-N 1 3 282.428 3.012 20 0 CGADHO [NH3+][C@@H](C[C@H]1CCCN(Cc2cncs2)C1)C1CCCC1 ZINC000873232458 634294372 /nfs/dbraw/zinc/29/43/72/634294372.db2.gz QEEREOZHSBTEFI-CJNGLKHVSA-N 1 3 293.480 3.263 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]C2CC(Nc3ccccc3)C2)c2ccccc21 ZINC000873295304 634323708 /nfs/dbraw/zinc/32/37/08/634323708.db2.gz FEWPVNKUGKBWSV-FUICEZJUSA-N 1 3 293.414 3.364 20 0 CGADHO C1CC2(C1)C[C@@H]([NH2+]C1CCCCCCC1)CCN2 ZINC000841090474 635120818 /nfs/dbraw/zinc/12/08/18/635120818.db2.gz ZCPFXNDHUCUKIF-HNNXBMFYSA-N 1 3 250.430 3.364 20 0 CGADHO CC[C@@H]1C[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000877675393 635142863 /nfs/dbraw/zinc/14/28/63/635142863.db2.gz YTYPCSQSHDUIEY-IAGOWNOFSA-N 1 3 294.483 3.142 20 0 CGADHO C(CC1CC1)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878120395 635366619 /nfs/dbraw/zinc/36/66/19/635366619.db2.gz HMFYHKSUYBRRSV-INIZCTEOSA-N 1 3 250.430 3.127 20 0 CGADHO C=C/C=C\CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000878411780 635494623 /nfs/dbraw/zinc/49/46/23/635494623.db2.gz NUDQYKBFSGXUGP-MSNYOWOLSA-N 1 3 262.441 3.361 20 0 CGADHO CCOc1cccc([C@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000843343703 635650903 /nfs/dbraw/zinc/65/09/03/635650903.db2.gz FSJQLBMAWJTOCS-AWEZNQCLSA-N 1 3 284.403 3.395 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000997 635895300 /nfs/dbraw/zinc/89/53/00/635895300.db2.gz ORKRMNGRBDXGJR-STQMWFEESA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000997 635895303 /nfs/dbraw/zinc/89/53/03/635895303.db2.gz ORKRMNGRBDXGJR-STQMWFEESA-N 1 3 278.362 3.135 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1coc2ccccc12 ZINC000131037121 636546115 /nfs/dbraw/zinc/54/61/15/636546115.db2.gz GUSIMMDLIFNBCY-AWEZNQCLSA-N 1 3 258.365 3.136 20 0 CGADHO C([NH2+][C@H]1CCCC2(CC2)C1)[C@@H]1CCCN(CC2CC2)C1 ZINC000883237719 636606714 /nfs/dbraw/zinc/60/67/14/636606714.db2.gz IPIAVJGLDHYHOS-IRXDYDNUSA-N 1 3 276.468 3.421 20 0 CGADHO CCN(CC)[C@H](CNC(=[NH2+])NC1CCCCC1)CC(C)C ZINC000849053998 636733709 /nfs/dbraw/zinc/73/37/09/636733709.db2.gz UHUOCTVWZAXMQX-INIZCTEOSA-N 1 3 296.503 3.190 20 0 CGADHO CC[C@@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)N1CCCC1 ZINC000849060788 636735957 /nfs/dbraw/zinc/73/59/57/636735957.db2.gz QBQIUSZJWKVHDB-HOTGVXAUSA-N 1 3 296.503 3.190 20 0 CGADHO CN(C)C1(CNC(=[NH2+])NC2CCCCCC2)CCCCC1 ZINC000849075299 636740067 /nfs/dbraw/zinc/74/00/67/636740067.db2.gz OVBMEGWULJWRAL-UHFFFAOYSA-N 1 3 294.487 3.088 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883416148 636749109 /nfs/dbraw/zinc/74/91/09/636749109.db2.gz NCYAUZXZBJMQJF-RWMBFGLXSA-N 1 3 260.372 3.014 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883416148 636749111 /nfs/dbraw/zinc/74/91/11/636749111.db2.gz NCYAUZXZBJMQJF-RWMBFGLXSA-N 1 3 260.372 3.014 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885953691 637329074 /nfs/dbraw/zinc/32/90/74/637329074.db2.gz CWWWPTQUXBWXIT-RRGWEWPQSA-N 1 3 276.399 3.160 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC[C@H]2CC(C)(C)CO2)CC1 ZINC000886715859 637670218 /nfs/dbraw/zinc/67/02/18/637670218.db2.gz GSERESDJXNCDKX-HNNXBMFYSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852566011 637681129 /nfs/dbraw/zinc/68/11/29/637681129.db2.gz LCCWHJPJBMXSPP-SJLPKXTDSA-N 1 3 289.467 3.114 20 0 CGADHO Cc1csc(CCNC2CC[NH+](CCC(C)C)CC2)n1 ZINC000924644962 638383191 /nfs/dbraw/zinc/38/31/91/638383191.db2.gz SKRSGIWKMHEUEX-UHFFFAOYSA-N 1 3 295.496 3.094 20 0 CGADHO Cc1csc(CC[NH2+]C2CCN(CCC(C)C)CC2)n1 ZINC000924644962 638383194 /nfs/dbraw/zinc/38/31/94/638383194.db2.gz SKRSGIWKMHEUEX-UHFFFAOYSA-N 1 3 295.496 3.094 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925222844 638478653 /nfs/dbraw/zinc/47/86/53/638478653.db2.gz UDAWLJCZJFPULN-DZGCQCFKSA-N 1 3 250.430 3.172 20 0 CGADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2c(F)cccc2F)C1 ZINC000925477622 638508660 /nfs/dbraw/zinc/50/86/60/638508660.db2.gz FNXYISFUYJJVIQ-RYUDHWBXSA-N 1 3 282.378 3.003 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565091 638531371 /nfs/dbraw/zinc/53/13/71/638531371.db2.gz OTPPOOSHXXKYJJ-GXTWGEPZSA-N 1 3 295.496 3.305 20 0 CGADHO CC(C)(C)SCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925582904 638536877 /nfs/dbraw/zinc/53/68/77/638536877.db2.gz ISLUCAQBMXVPSY-GJZGRUSLSA-N 1 3 284.513 3.276 20 0 CGADHO C1=CC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925618729 638545930 /nfs/dbraw/zinc/54/59/30/638545930.db2.gz XTUHWFGMAPLQED-UAGQMJEPSA-N 1 3 262.441 3.101 20 0 CGADHO FC(F)(F)C1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925669908 638563822 /nfs/dbraw/zinc/56/38/22/638563822.db2.gz HCVPJZXVNNINDK-CHWSQXEVSA-N 1 3 290.373 3.087 20 0 CGADHO COc1ccc2cc([C@H](C)NC[C@@H]3C[NH2+]C[C@H]3C)ccc2c1 ZINC000925791491 638614663 /nfs/dbraw/zinc/61/46/63/638614663.db2.gz RADJMAXFNFLEBA-GLJUWKHASA-N 1 3 298.430 3.355 20 0 CGADHO C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000925792824 638616024 /nfs/dbraw/zinc/61/60/24/638616024.db2.gz WJCDRURNOYMQCR-VCBZYWHSSA-N 1 3 295.430 3.255 20 0 CGADHO CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000858490754 638741302 /nfs/dbraw/zinc/74/13/02/638741302.db2.gz NLSKIMVMUYEXNG-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCC(O)(CC)CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926257277 638754747 /nfs/dbraw/zinc/75/47/47/638754747.db2.gz WUDLVJPABOWQOR-UHFFFAOYSA-N 1 3 284.488 3.028 20 0 CGADHO Cc1ccncc1CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926689434 638798793 /nfs/dbraw/zinc/79/87/93/638798793.db2.gz LSFMVURSYLLAMO-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO Cc1ccncc1CCNC1CC[NH+](CCC(C)C)CC1 ZINC000926689434 638798794 /nfs/dbraw/zinc/79/87/94/638798794.db2.gz LSFMVURSYLLAMO-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO CN1C[C@@]2(C)C[NH+](Cc3cnc4ccccc4c3)C[C@]2(C)C1 ZINC000931314587 639132674 /nfs/dbraw/zinc/13/26/74/639132674.db2.gz PROOHAVPRZUBIH-OALUTQOASA-N 1 3 295.430 3.008 20 0 CGADHO CN(C)C1(C)CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000931352471 639139320 /nfs/dbraw/zinc/13/93/20/639139320.db2.gz MEAKLZVXFUCJPP-IRXDYDNUSA-N 1 3 272.436 3.206 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250537485 640813761 /nfs/dbraw/zinc/81/37/61/640813761.db2.gz ZLNQVYMZLBMNPJ-SJORKVTESA-N 1 3 294.483 3.188 20 0 CGADHO CN(Cc1sccc1Cl)C1CCC([NH3+])CC1 ZINC000304347280 640861372 /nfs/dbraw/zinc/86/13/72/640861372.db2.gz FZVWBXPMGRKEPP-UHFFFAOYSA-N 1 3 258.818 3.103 20 0 CGADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(Br)cc1 ZINC000304663751 640866082 /nfs/dbraw/zinc/86/60/82/640866082.db2.gz WLQNYLAHPWEHCW-JTQLQIEISA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@H](C)C[C@@H](C)Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157888879 805898758 /nfs/dbraw/zinc/89/87/58/805898758.db2.gz QSJAXPQJYZRUJB-UONOGXRCSA-N 1 3 290.455 3.246 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@@H]2CCCN(C)CC2)c(C)c1 ZINC001254500976 806421711 /nfs/dbraw/zinc/42/17/11/806421711.db2.gz NICWLJATYVMYPS-MRXNPFEDSA-N 1 3 260.425 3.186 20 0 CGADHO C[N@@H+]1CCC[C@H](N[C@H]2CCc3c2cccc3Cl)CC1 ZINC001254504472 806423359 /nfs/dbraw/zinc/42/33/59/806423359.db2.gz BNKOYJUKBUNWNT-LRDDRELGSA-N 1 3 278.827 3.401 20 0 CGADHO C[N@H+]1CCC[C@H](N[C@H]2CCc3c2cccc3Cl)CC1 ZINC001254504472 806423361 /nfs/dbraw/zinc/42/33/61/806423361.db2.gz BNKOYJUKBUNWNT-LRDDRELGSA-N 1 3 278.827 3.401 20 0 CGADHO CN1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001254506754 806427349 /nfs/dbraw/zinc/42/73/49/806427349.db2.gz ZCZPKVQCPUELAQ-AWEZNQCLSA-N 1 3 258.365 3.007 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510771 806430134 /nfs/dbraw/zinc/43/01/34/806430134.db2.gz QKSDGEBFXMKSQH-NVXWUHKLSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)CC1 ZINC001254510771 806430141 /nfs/dbraw/zinc/43/01/41/806430141.db2.gz QKSDGEBFXMKSQH-NVXWUHKLSA-N 1 3 276.399 3.277 20 0 CGADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522811 806440241 /nfs/dbraw/zinc/44/02/41/806440241.db2.gz JOMKLTCTLFJXJF-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@@H](N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001254522811 806440246 /nfs/dbraw/zinc/44/02/46/806440246.db2.gz JOMKLTCTLFJXJF-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO CCN(Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254527417 806442318 /nfs/dbraw/zinc/44/23/18/806442318.db2.gz XZNMKJZVEWUOQX-INIZCTEOSA-N 1 3 264.388 3.132 20 0 CGADHO CCN(Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254527417 806442321 /nfs/dbraw/zinc/44/23/21/806442321.db2.gz XZNMKJZVEWUOQX-INIZCTEOSA-N 1 3 264.388 3.132 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254529827 806442776 /nfs/dbraw/zinc/44/27/76/806442776.db2.gz RIYDAPKJGKBZBL-SJORKVTESA-N 1 3 273.424 3.011 20 0 CGADHO Cc1ccc([C@@H]2CCCN2[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254529827 806442780 /nfs/dbraw/zinc/44/27/80/806442780.db2.gz RIYDAPKJGKBZBL-SJORKVTESA-N 1 3 273.424 3.011 20 0 CGADHO CCC(CC)[N@@H+]1CC[C@H](NC2Cc3ccccc3C2)C1 ZINC001255016230 806527394 /nfs/dbraw/zinc/52/73/94/806527394.db2.gz OUIWJGCIXSABLO-INIZCTEOSA-N 1 3 272.436 3.006 20 0 CGADHO CCC(CC)[N@H+]1CC[C@H](NC2Cc3ccccc3C2)C1 ZINC001255016230 806527398 /nfs/dbraw/zinc/52/73/98/806527398.db2.gz OUIWJGCIXSABLO-INIZCTEOSA-N 1 3 272.436 3.006 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2sccc2OC)C1 ZINC001255059243 806534679 /nfs/dbraw/zinc/53/46/79/806534679.db2.gz UVTQENSTBMXJDB-QWHCGFSZSA-N 1 3 282.453 3.139 20 0 CGADHO CC[N@@H+]1CC[C@H](CNCc2cc(C)c(C)cc2C)C1 ZINC000037644547 798871510 /nfs/dbraw/zinc/87/15/10/798871510.db2.gz IOVWQIVQYIKREU-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO CC[N@H+]1CC[C@H](CNCc2cc(C)c(C)cc2C)C1 ZINC000037644547 798871514 /nfs/dbraw/zinc/87/15/14/798871514.db2.gz IOVWQIVQYIKREU-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO COc1ccc(C[N@@H+]2CCCC[C@H]2CN)c2ccccc12 ZINC000094692734 798970806 /nfs/dbraw/zinc/97/08/06/798970806.db2.gz SNYJUDYVNZBABS-HNNXBMFYSA-N 1 3 284.403 3.162 20 0 CGADHO COc1ccc(C[N@H+]2CCCC[C@H]2CN)c2ccccc12 ZINC000094692734 798970810 /nfs/dbraw/zinc/97/08/10/798970810.db2.gz SNYJUDYVNZBABS-HNNXBMFYSA-N 1 3 284.403 3.162 20 0 CGADHO CCCN(CCC[NH3+])[C@@H](C)CSc1ccc(F)cc1 ZINC001255729074 806723293 /nfs/dbraw/zinc/72/32/93/806723293.db2.gz FEQILPFGMBNYOY-ZDUSSCGKSA-N 1 3 284.444 3.367 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)CSc1ccc(F)cc1 ZINC001255729074 806723300 /nfs/dbraw/zinc/72/33/00/806723300.db2.gz FEQILPFGMBNYOY-ZDUSSCGKSA-N 1 3 284.444 3.367 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)CSc1ccc(F)cc1 ZINC001255729074 806723306 /nfs/dbraw/zinc/72/33/06/806723306.db2.gz FEQILPFGMBNYOY-ZDUSSCGKSA-N 1 3 284.444 3.367 20 0 CGADHO CC(C)N(CCC[NH3+])[C@@H](C)CSc1ccc(F)cc1 ZINC001255734459 806725780 /nfs/dbraw/zinc/72/57/80/806725780.db2.gz XHZRDSQRHNXCAE-ZDUSSCGKSA-N 1 3 284.444 3.366 20 0 CGADHO CC(C)[N@H+](CCCN)[C@@H](C)CSc1ccc(F)cc1 ZINC001255734459 806725783 /nfs/dbraw/zinc/72/57/83/806725783.db2.gz XHZRDSQRHNXCAE-ZDUSSCGKSA-N 1 3 284.444 3.366 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@@H](C)CSc1ccc(F)cc1 ZINC001255734459 806725788 /nfs/dbraw/zinc/72/57/88/806725788.db2.gz XHZRDSQRHNXCAE-ZDUSSCGKSA-N 1 3 284.444 3.366 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC000315751897 799238631 /nfs/dbraw/zinc/23/86/31/799238631.db2.gz GRUJXUHSEIHOHH-GJZGRUSLSA-N 1 3 298.430 3.408 20 0 CGADHO c1cc2c(s1)[C@H](Nc1ccc([C@@H]3CCC[NH2+]3)cc1)CNC2 ZINC001163227984 806730126 /nfs/dbraw/zinc/73/01/26/806730126.db2.gz GDRCCHVEBLQNJP-JKSUJKDBSA-N 1 3 299.443 3.429 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@@H+]1CCCC[C@@H](CN)C1 ZINC000380768049 799366644 /nfs/dbraw/zinc/36/66/44/799366644.db2.gz ZETFVILXLOLBFQ-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO Cc1[nH]c2ccccc2c1C[N@H+]1CCCC[C@@H](CN)C1 ZINC000380768049 799366652 /nfs/dbraw/zinc/36/66/52/799366652.db2.gz ZETFVILXLOLBFQ-AWEZNQCLSA-N 1 3 271.408 3.037 20 0 CGADHO CC(C)Oc1cccc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC000383819230 799408603 /nfs/dbraw/zinc/40/86/03/799408603.db2.gz HHCIYAPVTFPBDW-INIZCTEOSA-N 1 3 276.424 3.035 20 0 CGADHO C[N@H+](Cc1cnc2ccccc2c1)C1(CN)CCCCC1 ZINC000384760750 799419011 /nfs/dbraw/zinc/41/90/11/799419011.db2.gz LDMHXVROEPGXCQ-UHFFFAOYSA-N 1 3 283.419 3.328 20 0 CGADHO C[N@@H+](Cc1cnc2ccccc2c1)C1(CN)CCCCC1 ZINC000384760750 799419015 /nfs/dbraw/zinc/41/90/15/799419015.db2.gz LDMHXVROEPGXCQ-UHFFFAOYSA-N 1 3 283.419 3.328 20 0 CGADHO Cc1[nH]c2ccccc2c1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000388853401 799456972 /nfs/dbraw/zinc/45/69/72/799456972.db2.gz JDKUJBHVLDWTCX-HNNXBMFYSA-N 1 3 297.446 3.440 20 0 CGADHO CO[C@@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000453131128 799633317 /nfs/dbraw/zinc/63/33/17/799633317.db2.gz ZEOXCMLSQFHWMA-HZPDHXFCSA-N 1 3 282.472 3.043 20 0 CGADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968022 799742723 /nfs/dbraw/zinc/74/27/23/799742723.db2.gz GJJGVRBNFVCMMC-DGCLKSJQSA-N 1 3 264.438 3.014 20 0 CGADHO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687968022 799742730 /nfs/dbraw/zinc/74/27/30/799742730.db2.gz GJJGVRBNFVCMMC-DGCLKSJQSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000687964932 799742871 /nfs/dbraw/zinc/74/28/71/799742871.db2.gz YQSWIJJXMDNHFZ-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000687964932 799742876 /nfs/dbraw/zinc/74/28/76/799742876.db2.gz YQSWIJJXMDNHFZ-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC000687969387 799743597 /nfs/dbraw/zinc/74/35/97/799743597.db2.gz SSKAPWNLIMAMBJ-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)[C@H]1C ZINC000687969387 799743601 /nfs/dbraw/zinc/74/36/01/799743601.db2.gz SSKAPWNLIMAMBJ-RYUDHWBXSA-N 1 3 264.438 3.014 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000695701191 799832695 /nfs/dbraw/zinc/83/26/95/799832695.db2.gz SBJKYLGZXSSXJH-HUUCEWRRSA-N 1 3 250.430 3.064 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255943800 806791685 /nfs/dbraw/zinc/79/16/85/806791685.db2.gz PVQHBTIBEDSSOA-CABCVRRESA-N 1 3 280.431 3.467 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1c(F)cccc1F ZINC001255950756 806795055 /nfs/dbraw/zinc/79/50/55/806795055.db2.gz KVQVRJHFKIENFF-ZDUSSCGKSA-N 1 3 284.394 3.217 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC(c3ccccc3)C1)[NH2+]2 ZINC000709480500 800009352 /nfs/dbraw/zinc/00/93/52/800009352.db2.gz STSPOKBNTAZCNF-OKRRGFLNSA-N 1 3 270.420 3.051 20 0 CGADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3ccccc3)C1)[NH2+]2 ZINC000709480502 800009800 /nfs/dbraw/zinc/00/98/00/800009800.db2.gz STSPOKBNTAZCNF-RNDSFXRFSA-N 1 3 270.420 3.051 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NC1(Cc2ccc(O)cc2)CC1 ZINC001255953593 806796923 /nfs/dbraw/zinc/79/69/23/806796923.db2.gz TZDQVKNANJFOBC-OAHLLOKOSA-N 1 3 290.451 3.177 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C1(Cc2ccc(O)cc2)CC1 ZINC001255953593 806796924 /nfs/dbraw/zinc/79/69/24/806796924.db2.gz TZDQVKNANJFOBC-OAHLLOKOSA-N 1 3 290.451 3.177 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@@](C)(F)CC1 ZINC001255957191 806798546 /nfs/dbraw/zinc/79/85/46/806798546.db2.gz PDGRQYIHGJDRKH-HUUCEWRRSA-N 1 3 258.425 3.321 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@@](C)(F)CC1 ZINC001255957191 806798549 /nfs/dbraw/zinc/79/85/49/806798549.db2.gz PDGRQYIHGJDRKH-HUUCEWRRSA-N 1 3 258.425 3.321 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N1CCC[C@@](C)(F)CC1 ZINC001255957191 806798552 /nfs/dbraw/zinc/79/85/52/806798552.db2.gz PDGRQYIHGJDRKH-HUUCEWRRSA-N 1 3 258.425 3.321 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@@H]1C ZINC000715509599 800137705 /nfs/dbraw/zinc/13/77/05/800137705.db2.gz NFJNMSVBJYKBLP-DGADGQDISA-N 1 3 252.446 3.274 20 0 CGADHO C[NH+](C)C1(C)CCC(NCc2csc(C3CC3)n2)CC1 ZINC000715553034 800138889 /nfs/dbraw/zinc/13/88/89/800138889.db2.gz QKELZPSIONZDDY-UHFFFAOYSA-N 1 3 293.480 3.373 20 0 CGADHO CSc1ccc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000715551889 800139001 /nfs/dbraw/zinc/13/90/01/800139001.db2.gz KZDJGRZMFQUUBP-GJZGRUSLSA-N 1 3 278.465 3.371 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(Cl)c(Cl)c1 ZINC000925771700 800634049 /nfs/dbraw/zinc/63/40/49/800634049.db2.gz CQKUZGKRMLPFHX-STQMWFEESA-N 1 3 273.207 3.005 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C2(c3ccc(N)cc3)CC2)CC1 ZINC001256568941 806917927 /nfs/dbraw/zinc/91/79/27/806917927.db2.gz LSVDYBLHADTPJX-UHFFFAOYSA-N 1 3 287.451 3.110 20 0 CGADHO C[C@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001117713835 802479942 /nfs/dbraw/zinc/47/99/42/802479942.db2.gz YJPSSMDEKVSGPB-YDCSTSJZSA-N 1 3 284.447 3.453 20 0 CGADHO C[NH+](C)CCOc1cccc(-c2cncc3cc[nH]c32)c1 ZINC001243747114 802980644 /nfs/dbraw/zinc/98/06/44/802980644.db2.gz GJNDWSPSIHFTIY-UHFFFAOYSA-N 1 3 281.359 3.170 20 0 CGADHO Fc1cc(C2=C[NH2+]CCC2)ccc1CN1CCCC1 ZINC001243952027 803098020 /nfs/dbraw/zinc/09/80/20/803098020.db2.gz MPCYADLWWTUROD-UHFFFAOYSA-N 1 3 260.356 3.146 20 0 CGADHO Cc1ccc(OC(C)C)cc1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811891 813444049 /nfs/dbraw/zinc/44/40/49/813444049.db2.gz WOZVGGNYGAUDMM-HZPDHXFCSA-N 1 3 290.451 3.341 20 0 CGADHO CN(C)Cc1cncc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001245356356 803710904 /nfs/dbraw/zinc/71/09/04/803710904.db2.gz MQBIZEXKEQMHST-GOSISDBHSA-N 1 3 281.403 3.235 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N[C@H]1CC[NH2+]CC[C@H]1C ZINC001246092497 804125273 /nfs/dbraw/zinc/12/52/73/804125273.db2.gz CZWLQJWKVFFPMM-IOASZLSFSA-N 1 3 296.455 3.284 20 0 CGADHO CCCCCC1CCC([NH2+][C@]2(C)CCNC2)CC1 ZINC001246099066 804131728 /nfs/dbraw/zinc/13/17/28/804131728.db2.gz VJACRTOFYAICBW-UYSNPLJNSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246108882 804141646 /nfs/dbraw/zinc/14/16/46/804141646.db2.gz HCMSTTMNBXCHQS-RYQLBKOJSA-N 1 3 274.452 3.374 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)NC[C@H]1C[NH2+]CC[C@@H]1C ZINC001246117242 804149776 /nfs/dbraw/zinc/14/97/76/804149776.db2.gz YIYNUCDGJUVXPC-BFHYXJOUSA-N 1 3 296.455 3.142 20 0 CGADHO CCCC[C@H]1C[C@@H](NCCSCc2ccco2)CC[NH2+]1 ZINC001246177506 804192659 /nfs/dbraw/zinc/19/26/59/804192659.db2.gz JGESHZMNSBIADD-GJZGRUSLSA-N 1 3 296.480 3.413 20 0 CGADHO N[C@H]1C[C@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001246188980 804198617 /nfs/dbraw/zinc/19/86/17/804198617.db2.gz KTDPIVIBIBLTBL-KIMDCOTQSA-N 1 3 278.827 3.446 20 0 CGADHO COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@@H]3CCN3)ccc2c1 ZINC001246197782 804203403 /nfs/dbraw/zinc/20/34/03/804203403.db2.gz ANZIPXJRBXSTOP-KDOFPFPSSA-N 1 3 298.430 3.121 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CC1 ZINC001246208090 804206668 /nfs/dbraw/zinc/20/66/68/804206668.db2.gz BPSRKZUSRHEMDJ-SECBINFHSA-N 1 3 273.207 3.005 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2CCC[NH2+]C2)cc1 ZINC001246201929 804207509 /nfs/dbraw/zinc/20/75/09/804207509.db2.gz YUKCSRPADDBIQV-GJZGRUSLSA-N 1 3 278.465 3.065 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCSCc2ccccc2)CC[NH2+]1 ZINC001246231190 804223244 /nfs/dbraw/zinc/22/32/44/804223244.db2.gz SHRDGOLLJUTBBY-IRXDYDNUSA-N 1 3 292.492 3.286 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccc(OC)cc2)C[C@H](CC)[NH2+]1 ZINC001246234869 804226812 /nfs/dbraw/zinc/22/68/12/804226812.db2.gz OTTQYHQKACJEGP-FVQHAEBGSA-N 1 3 290.451 3.137 20 0 CGADHO C[C@@H]1CC[C@@H](NCCC2CCCCCCC2)C[NH2+]1 ZINC001246240747 804231709 /nfs/dbraw/zinc/23/17/09/804231709.db2.gz WTOGAXGKYKDDAV-GDBMZVCRSA-N 1 3 252.446 3.467 20 0 CGADHO C[NH2+]CC[C@H](C)NCc1ccc(C)c2ccccc12 ZINC001246253193 804239504 /nfs/dbraw/zinc/23/95/04/804239504.db2.gz CXBNDEHEAVETSF-AWEZNQCLSA-N 1 3 256.393 3.236 20 0 CGADHO Fc1cccc([C@H](N[C@@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC001246275265 804251199 /nfs/dbraw/zinc/25/11/99/804251199.db2.gz QOPYINKCPMXPDR-IAGOWNOFSA-N 1 3 276.399 3.399 20 0 CGADHO [NH3+]C1(CN[C@H]2Cc3cccc(Cl)c3C2)CCCCC1 ZINC001246279626 804254362 /nfs/dbraw/zinc/25/43/62/804254362.db2.gz NUFVUWDJHCQZSD-ZDUSSCGKSA-N 1 3 278.827 3.058 20 0 CGADHO NC1(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)CCCCC1 ZINC001246279626 804254366 /nfs/dbraw/zinc/25/43/66/804254366.db2.gz NUFVUWDJHCQZSD-ZDUSSCGKSA-N 1 3 278.827 3.058 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[C@@H]1[NH3+] ZINC001246279945 804255010 /nfs/dbraw/zinc/25/50/10/804255010.db2.gz OITYYIYWMUMDHI-SWHYSGLUSA-N 1 3 286.341 3.106 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246311618 804272760 /nfs/dbraw/zinc/27/27/60/804272760.db2.gz QGSZUWGTQAURRU-HOTGVXAUSA-N 1 3 280.843 3.160 20 0 CGADHO C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246316203 804276957 /nfs/dbraw/zinc/27/69/57/804276957.db2.gz PZWHHMVYZMQPGT-HGTKMLMNSA-N 1 3 252.446 3.464 20 0 CGADHO CC[C@@H](C)C1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246331348 804285463 /nfs/dbraw/zinc/28/54/63/804285463.db2.gz AYYGFNZRSDMMLP-PRLABOORSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@H](C)C1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246332751 804288077 /nfs/dbraw/zinc/28/80/77/804288077.db2.gz HPGVYNCAXUVELD-RKVQBDSKSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@H]1C[C@@H](NCCc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246343609 804296832 /nfs/dbraw/zinc/29/68/32/804296832.db2.gz NDSKWKLSNNRIEZ-STQMWFEESA-N 1 3 298.833 3.450 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246363712 804306557 /nfs/dbraw/zinc/30/65/57/804306557.db2.gz LTRFUXJJGQDDTF-RCCFBDPRSA-N 1 3 286.463 3.300 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccc2C)CCN1 ZINC001246371950 804309910 /nfs/dbraw/zinc/30/99/10/804309910.db2.gz KFINZKRPSWMQRM-SJORKVTESA-N 1 3 274.452 3.436 20 0 CGADHO Fc1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCCNC2)cc1 ZINC001246401418 804321154 /nfs/dbraw/zinc/32/11/54/804321154.db2.gz DLLSYWFQGNIMER-CVEARBPZSA-N 1 3 262.372 3.009 20 0 CGADHO CC[C@H]1C[C@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246419259 804327869 /nfs/dbraw/zinc/32/78/69/804327869.db2.gz FWPLIITVSOIUHT-QWHCGFSZSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)CCN1 ZINC001246431063 804329478 /nfs/dbraw/zinc/32/94/78/804329478.db2.gz IXIVRJYPWXYCFJ-PBHICJAKSA-N 1 3 290.426 3.269 20 0 CGADHO C[C@H]1C[C@@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246433894 804331758 /nfs/dbraw/zinc/33/17/58/804331758.db2.gz KSJNNYZPURUTAG-ZFWWWQNUSA-N 1 3 276.399 3.021 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CCC2)CCN1 ZINC001246433894 804331767 /nfs/dbraw/zinc/33/17/67/804331767.db2.gz KSJNNYZPURUTAG-ZFWWWQNUSA-N 1 3 276.399 3.021 20 0 CGADHO CC1(C)C[C@H](NC2(Cc3ccccc3F)CCC2)CC[NH2+]1 ZINC001246434591 804332204 /nfs/dbraw/zinc/33/22/04/804332204.db2.gz NMXIGBUTGLLAFG-OAHLLOKOSA-N 1 3 290.426 3.411 20 0 CGADHO CC1(C)C[C@H]([NH2+]C2(Cc3ccccc3F)CCC2)CCN1 ZINC001246434591 804332214 /nfs/dbraw/zinc/33/22/14/804332214.db2.gz NMXIGBUTGLLAFG-OAHLLOKOSA-N 1 3 290.426 3.411 20 0 CGADHO C[C@H]1CC([NH2+]CC2(Cc3cccc(F)c3)CC2)C[C@H](C)N1 ZINC001246441138 804333279 /nfs/dbraw/zinc/33/32/79/804333279.db2.gz YVDSODSEXNFXRD-KBPBESRZSA-N 1 3 290.426 3.267 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246444771 804334494 /nfs/dbraw/zinc/33/44/94/804334494.db2.gz BLRQDXLTMDGHLA-DZGCQCFKSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@]1(CNC2CCC(c3ccccc3)CC2)CCC[NH2+]1 ZINC001246457732 804339881 /nfs/dbraw/zinc/33/98/81/804339881.db2.gz TXZDYDOJJNCWNG-DAWZGUTISA-N 1 3 272.436 3.445 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@H]2CCc3cc(Cl)c(Cl)cc3C2)C1 ZINC001246458566 804340619 /nfs/dbraw/zinc/34/06/19/804340619.db2.gz HFXOTYAYZZAPSB-SLEUVZQESA-N 1 3 299.245 3.320 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCN1 ZINC001246462809 804344332 /nfs/dbraw/zinc/34/43/32/804344332.db2.gz PKPBDSCXXKHSND-BSWAZPDLSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@@]1([NH3+])C[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246467663 804345615 /nfs/dbraw/zinc/34/56/15/804345615.db2.gz ZMKVLRCFAFVQRN-VQHPVUNQSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@@]1(N)C[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246467663 804345622 /nfs/dbraw/zinc/34/56/22/804345622.db2.gz ZMKVLRCFAFVQRN-VQHPVUNQSA-N 1 3 258.409 3.182 20 0 CGADHO CC(C)[C@@H]1C[C@H](NC2(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC001246467025 804345892 /nfs/dbraw/zinc/34/58/92/804345892.db2.gz RPSZIQZSAZEUCB-SJORKVTESA-N 1 3 290.426 3.267 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC001246465192 804346149 /nfs/dbraw/zinc/34/61/49/804346149.db2.gz JTWGKLDLKYQRPV-DLBZAZTESA-N 1 3 284.447 3.371 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001246473577 804350612 /nfs/dbraw/zinc/35/06/12/804350612.db2.gz KLGUXZJHWJEFTB-WJFTUGDTSA-N 1 3 284.447 3.007 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCCC2CCCCC2)CCN1 ZINC001246477912 804354175 /nfs/dbraw/zinc/35/41/75/804354175.db2.gz JQHDIIBQJPSPHZ-GDBMZVCRSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1C[NH2+]C[C@@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246500510 804361865 /nfs/dbraw/zinc/36/18/65/804361865.db2.gz WXPXEMUAMYALBW-DDBAPUKQSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)Cc1c(F)cccc1Cl ZINC001246507698 804365716 /nfs/dbraw/zinc/36/57/16/804365716.db2.gz ZCMIHFIQURIZAL-NEPJUHHUSA-N 1 3 286.822 3.373 20 0 CGADHO [NH3+]C[C@@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001246506737 804366201 /nfs/dbraw/zinc/36/62/01/804366201.db2.gz JKUVCSRRTPBRHR-BFHYXJOUSA-N 1 3 286.341 3.397 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246513284 804368196 /nfs/dbraw/zinc/36/81/96/804368196.db2.gz CHAFIBRXNFVCSB-RTBURBONSA-N 1 3 286.463 3.376 20 0 CGADHO C1CC1[C@@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246517529 804371375 /nfs/dbraw/zinc/37/13/75/804371375.db2.gz MMZONWYOVUQSKC-DLBZAZTESA-N 1 3 276.468 3.467 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc2C1)C1CNC1 ZINC001246517509 804371797 /nfs/dbraw/zinc/37/17/97/804371797.db2.gz LUZADCVASGUYSO-IRXDYDNUSA-N 1 3 292.854 3.031 20 0 CGADHO CC[C@@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C1CNC1 ZINC001246521005 804377387 /nfs/dbraw/zinc/37/73/87/804377387.db2.gz XWHJWYXJJHGTTR-JKSUJKDBSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@@]1([NH3+])CCN([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001246531396 804383496 /nfs/dbraw/zinc/38/34/96/804383496.db2.gz QQGBQIQIILJVAI-BRWVUGGUSA-N 1 3 258.409 3.136 20 0 CGADHO [NH3+][C@@H]1CCCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001246538595 804388386 /nfs/dbraw/zinc/38/83/86/804388386.db2.gz DBBDBCHSTUIFIB-KGLIPLIRSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@H]1C[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543108 804389934 /nfs/dbraw/zinc/38/99/34/804389934.db2.gz TWOCXGASIKQGJX-DZOHQFGASA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1C[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C[C@H]1CN ZINC001246543108 804389942 /nfs/dbraw/zinc/38/99/42/804389942.db2.gz TWOCXGASIKQGJX-DZOHQFGASA-N 1 3 272.436 3.239 20 0 CGADHO C[C@H]1c2ccccc2CCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246549001 804398613 /nfs/dbraw/zinc/39/86/13/804398613.db2.gz ORVJIOMUZHXWDO-ZFWWWQNUSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1CCCC[N@@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246557383 804406709 /nfs/dbraw/zinc/40/67/09/804406709.db2.gz LKUVRYIUBCOYHM-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCCC[N@H+]([C@@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246557383 804406714 /nfs/dbraw/zinc/40/67/14/804406714.db2.gz LKUVRYIUBCOYHM-KFWWJZLASA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CN)[C@@H]2C)CC(C)(C)C1 ZINC001246563488 804412295 /nfs/dbraw/zinc/41/22/95/804412295.db2.gz KBUXLGPORBYMBQ-QPSCCSFWSA-N 1 3 252.446 3.260 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CN)[C@@H]2C)CC(C)(C)C1 ZINC001246563488 804412297 /nfs/dbraw/zinc/41/22/97/804412297.db2.gz KBUXLGPORBYMBQ-QPSCCSFWSA-N 1 3 252.446 3.260 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246583859 804427848 /nfs/dbraw/zinc/42/78/48/804427848.db2.gz SFZXFULSYJYJHU-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH+]2CCC(CC)CC2)CCN1 ZINC001246586524 804430351 /nfs/dbraw/zinc/43/03/51/804430351.db2.gz BNEUBMJOQSWAQA-HZPDHXFCSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)[N@H+]([C@H]1CCC[C@@H](C)C1)[C@H]1CCCNCC1 ZINC001246590621 804434234 /nfs/dbraw/zinc/43/42/34/804434234.db2.gz HJHRJGDMFRTWPB-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[N@@H+]([C@H]1CCC[C@@H](C)C1)[C@H]1CCCNCC1 ZINC001246590621 804434237 /nfs/dbraw/zinc/43/42/37/804434237.db2.gz HJHRJGDMFRTWPB-PMPSAXMXSA-N 1 3 252.446 3.418 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246614193 804449109 /nfs/dbraw/zinc/44/91/09/804449109.db2.gz MSPABQDVNXYAAC-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCCC3(CCCC3)C2)CCN1 ZINC001246614193 804449113 /nfs/dbraw/zinc/44/91/13/804449113.db2.gz MSPABQDVNXYAAC-CQSZACIVSA-N 1 3 250.430 3.173 20 0 CGADHO CC[C@@H](CC(C)C)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615837 804450628 /nfs/dbraw/zinc/45/06/28/804450628.db2.gz SVSOUWSDOQBTAT-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@]2(CCCCN2)C1 ZINC001246615837 804450632 /nfs/dbraw/zinc/45/06/32/804450632.db2.gz SVSOUWSDOQBTAT-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](CC(C)C)[N@H+]1CCC[C@]2(CCCCN2)C1 ZINC001246615837 804450636 /nfs/dbraw/zinc/45/06/36/804450636.db2.gz SVSOUWSDOQBTAT-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246631530 804462802 /nfs/dbraw/zinc/46/28/02/804462802.db2.gz QFCVKTKDVOHUSU-OKZBNKHCSA-N 1 3 272.436 3.082 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634676 804464060 /nfs/dbraw/zinc/46/40/60/804464060.db2.gz AOZUEHCJBNRLAL-BRSBDYLESA-N 1 3 270.420 3.149 20 0 CGADHO CC[C@H](CC(C)C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246653375 804479294 /nfs/dbraw/zinc/47/92/94/804479294.db2.gz SOPAJNQAATVOFV-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H](CC(C)C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246653375 804479297 /nfs/dbraw/zinc/47/92/97/804479297.db2.gz SOPAJNQAATVOFV-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H](C)C[C@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656165 804480953 /nfs/dbraw/zinc/48/09/53/804480953.db2.gz MPOQDXQVBHMSSM-RFGFWPKPSA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656165 804480958 /nfs/dbraw/zinc/48/09/58/804480958.db2.gz MPOQDXQVBHMSSM-RFGFWPKPSA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656165 804480960 /nfs/dbraw/zinc/48/09/60/804480960.db2.gz MPOQDXQVBHMSSM-RFGFWPKPSA-N 1 3 292.389 3.285 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@H+](C2CCCC2)CC3)cc1 ZINC001246672613 804489750 /nfs/dbraw/zinc/48/97/50/804489750.db2.gz MKPWZIOCLDGOIM-IEBWSBKVSA-N 1 3 284.447 3.182 20 0 CGADHO c1ccc([C@]23CCNC[C@@H]2C[N@@H+](C2CCCC2)CC3)cc1 ZINC001246672613 804489752 /nfs/dbraw/zinc/48/97/52/804489752.db2.gz MKPWZIOCLDGOIM-IEBWSBKVSA-N 1 3 284.447 3.182 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728453 804501114 /nfs/dbraw/zinc/50/11/14/804501114.db2.gz KBULCGMIWWBDCN-BDXSIMOUSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CCN1 ZINC001246728453 804501121 /nfs/dbraw/zinc/50/11/21/804501121.db2.gz KBULCGMIWWBDCN-BDXSIMOUSA-N 1 3 294.483 3.046 20 0 CGADHO CCCC1CC[NH+]([C@@H]2CCNC3(CCC3)C2)CC1 ZINC001246774797 804504552 /nfs/dbraw/zinc/50/45/52/804504552.db2.gz GPQTXAIULAWSMO-OAHLLOKOSA-N 1 3 250.430 3.173 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](CN)C1 ZINC001246778344 804506086 /nfs/dbraw/zinc/50/60/86/804506086.db2.gz ULSVZWNJBXBLJK-MSOLQXFVSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](CN)C1 ZINC001246778344 804506081 /nfs/dbraw/zinc/50/60/81/804506081.db2.gz ULSVZWNJBXBLJK-MSOLQXFVSA-N 1 3 274.452 3.459 20 0 CGADHO CC[C@H]1C[C@@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246777686 804506243 /nfs/dbraw/zinc/50/62/43/804506243.db2.gz RYHPUKVHQYDNTD-IRXDYDNUSA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246777686 804506250 /nfs/dbraw/zinc/50/62/50/804506250.db2.gz RYHPUKVHQYDNTD-IRXDYDNUSA-N 1 3 260.425 3.082 20 0 CGADHO CC[C@H]1C[C@@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246777686 804506256 /nfs/dbraw/zinc/50/62/56/804506256.db2.gz RYHPUKVHQYDNTD-IRXDYDNUSA-N 1 3 260.425 3.082 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246781085 804507901 /nfs/dbraw/zinc/50/79/01/804507901.db2.gz FMZXLVXLNIPTQX-MOPGFXCFSA-N 1 3 286.463 3.398 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779679 804508560 /nfs/dbraw/zinc/50/85/60/804508560.db2.gz SWXKUPJMZYJPMQ-RCCFBDPRSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246779679 804508564 /nfs/dbraw/zinc/50/85/64/804508564.db2.gz SWXKUPJMZYJPMQ-RCCFBDPRSA-N 1 3 272.436 3.397 20 0 CGADHO CC[C@@H]1C[C@H](N2CCC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC001246779679 804508567 /nfs/dbraw/zinc/50/85/67/804508567.db2.gz SWXKUPJMZYJPMQ-RCCFBDPRSA-N 1 3 272.436 3.397 20 0 CGADHO CC(C)[N@H+](CC1CC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246787891 804511094 /nfs/dbraw/zinc/51/10/94/804511094.db2.gz FNIRZAKUCQBOEP-CABCVRRESA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+](CC1CC1)[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246787891 804511098 /nfs/dbraw/zinc/51/10/98/804511098.db2.gz FNIRZAKUCQBOEP-CABCVRRESA-N 1 3 252.446 3.274 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246790536 804512769 /nfs/dbraw/zinc/51/27/69/804512769.db2.gz HETPDDACUSGLRL-SFHVURJKSA-N 1 3 286.463 3.473 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246790536 804512771 /nfs/dbraw/zinc/51/27/71/804512771.db2.gz HETPDDACUSGLRL-SFHVURJKSA-N 1 3 286.463 3.473 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246791843 804515126 /nfs/dbraw/zinc/51/51/26/804515126.db2.gz MUFXNWDEBBQAQG-CYGHRXIMSA-N 1 3 272.436 3.080 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)C[C@H](C)N1 ZINC001246791843 804515131 /nfs/dbraw/zinc/51/51/31/804515131.db2.gz MUFXNWDEBBQAQG-CYGHRXIMSA-N 1 3 272.436 3.080 20 0 CGADHO CC(C)[C@H]1C[C@@H](N2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815454 804532007 /nfs/dbraw/zinc/53/20/07/804532007.db2.gz CVTLFUZEWJMFQK-ZWKOTPCHSA-N 1 3 272.436 3.211 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)CCN1 ZINC001246828979 804539779 /nfs/dbraw/zinc/53/97/79/804539779.db2.gz UNZDQOZJPDRRJB-KBXCAEBGSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N1CCC[C@H]1CC[NH3+] ZINC001246832680 804541071 /nfs/dbraw/zinc/54/10/71/804541071.db2.gz KLSIBOWZSZPCBF-JSGCOSHPSA-N 1 3 282.428 3.120 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844438 804552691 /nfs/dbraw/zinc/55/26/91/804552691.db2.gz JGNYNFUCAGHIRH-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)CCN1 ZINC001246844438 804552695 /nfs/dbraw/zinc/55/26/95/804552695.db2.gz JGNYNFUCAGHIRH-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO Cc1ccc(SC[C@H](C)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001246845803 804553562 /nfs/dbraw/zinc/55/35/62/804553562.db2.gz LZOFKRZPFDVTOB-XHSDSOJGSA-N 1 3 290.476 3.017 20 0 CGADHO C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CCNC2(CCCCC2)C1 ZINC001246847334 804555419 /nfs/dbraw/zinc/55/54/19/804555419.db2.gz TTZUCTXSVADMDL-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](C[C@@H]1CC1(C)C)[C@H]1CCNC2(CCCCC2)C1 ZINC001246847334 804555423 /nfs/dbraw/zinc/55/54/23/804555423.db2.gz TTZUCTXSVADMDL-GJZGRUSLSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246869905 804571985 /nfs/dbraw/zinc/57/19/85/804571985.db2.gz XHBUVVHJWNJUBC-YSVLISHTSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246869905 804571993 /nfs/dbraw/zinc/57/19/93/804571993.db2.gz XHBUVVHJWNJUBC-YSVLISHTSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246869905 804571999 /nfs/dbraw/zinc/57/19/99/804571999.db2.gz XHBUVVHJWNJUBC-YSVLISHTSA-N 1 3 258.409 3.136 20 0 CGADHO c1ccc2c(c1)CCC21CCC([NH+]2CCCNCCC2)CC1 ZINC001246906020 804591147 /nfs/dbraw/zinc/59/11/47/804591147.db2.gz PTBCXTWIHWSQOF-UHFFFAOYSA-N 1 3 298.474 3.499 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH+]1CCCNCCC1 ZINC001246907739 804591325 /nfs/dbraw/zinc/59/13/25/804591325.db2.gz UZACELURPQAVNV-GOSISDBHSA-N 1 3 274.452 3.329 20 0 CGADHO CC(C)OCC[C@@H](C)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246936794 804608504 /nfs/dbraw/zinc/60/85/04/804608504.db2.gz KCLNVTARBJNRLR-IAGOWNOFSA-N 1 3 296.499 3.434 20 0 CGADHO CC(C)OCC[C@@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246936794 804608508 /nfs/dbraw/zinc/60/85/08/804608508.db2.gz KCLNVTARBJNRLR-IAGOWNOFSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@H](Cc1ccco1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938536 804610221 /nfs/dbraw/zinc/61/02/21/804610221.db2.gz QCWKPRLRURCSPC-HZPDHXFCSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@H](Cc1ccco1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938536 804610225 /nfs/dbraw/zinc/61/02/25/804610225.db2.gz QCWKPRLRURCSPC-HZPDHXFCSA-N 1 3 290.451 3.455 20 0 CGADHO CCc1ccc(C[C@@H](C)N(CC)C[C@H]2CC[NH2+]C2)cc1 ZINC001246946843 804614312 /nfs/dbraw/zinc/61/43/12/804614312.db2.gz IAZUJCYSBATKLA-QAPCUYQASA-N 1 3 274.452 3.111 20 0 CGADHO CC[C@H](CC(C)C)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976762 804623731 /nfs/dbraw/zinc/62/37/31/804623731.db2.gz WCHARRCNPCNQFM-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](CC(C)C)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976762 804623737 /nfs/dbraw/zinc/62/37/37/804623737.db2.gz WCHARRCNPCNQFM-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](N)C[N@H+](C)[C@H](C)Cc1ccccc1Br ZINC001246976171 804623825 /nfs/dbraw/zinc/62/38/25/804623825.db2.gz YNHGEXMJSKDGQA-YPMHNXCESA-N 1 3 299.256 3.049 20 0 CGADHO CC[C@H](N)C[N@@H+](C)[C@H](C)Cc1ccccc1Br ZINC001246976171 804623829 /nfs/dbraw/zinc/62/38/29/804623829.db2.gz YNHGEXMJSKDGQA-YPMHNXCESA-N 1 3 299.256 3.049 20 0 CGADHO CC[C@@H](CC(C)C)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976751 804624587 /nfs/dbraw/zinc/62/45/87/804624587.db2.gz WCHARRCNPCNQFM-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@@H](CC(C)C)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC001246976751 804624590 /nfs/dbraw/zinc/62/45/90/804624590.db2.gz WCHARRCNPCNQFM-GJZGRUSLSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C[C@H](C)N1 ZINC001246998079 804633184 /nfs/dbraw/zinc/63/31/84/804633184.db2.gz ABOAZQURDPUBPJ-LTCOOKNTSA-N 1 3 290.426 3.362 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C[C@H](C)N1 ZINC001246998079 804633187 /nfs/dbraw/zinc/63/31/87/804633187.db2.gz ABOAZQURDPUBPJ-LTCOOKNTSA-N 1 3 290.426 3.362 20 0 CGADHO CC1(C)C[C@@H]([NH+]2CCC3(Cc4ccccc4N3)CC2)CCN1 ZINC001247005419 804637531 /nfs/dbraw/zinc/63/75/31/804637531.db2.gz YKROIMVXWDUTMP-INIZCTEOSA-N 1 3 299.462 3.020 20 0 CGADHO CC1(C)C[C@@H](N2CCC3(Cc4ccccc4N3)CC2)CC[NH2+]1 ZINC001247005419 804637536 /nfs/dbraw/zinc/63/75/36/804637536.db2.gz YKROIMVXWDUTMP-INIZCTEOSA-N 1 3 299.462 3.020 20 0 CGADHO CC(C)N1CCC([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001257213749 807062465 /nfs/dbraw/zinc/06/24/65/807062465.db2.gz ULFAVKZPPKWCMA-UHFFFAOYSA-N 1 3 295.858 3.433 20 0 CGADHO CCCCCC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001257367800 807126606 /nfs/dbraw/zinc/12/66/06/807126606.db2.gz GQUYMRXGMBLCII-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N1CCc2ncsc2C1 ZINC001167837497 807259542 /nfs/dbraw/zinc/25/95/42/807259542.db2.gz LNODXVWEPQJDJG-CYBMUJFWSA-N 1 3 281.469 3.012 20 0 CGADHO CC(C)CN1CCC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001258010706 807265225 /nfs/dbraw/zinc/26/52/25/807265225.db2.gz DBWHNHVOZQHLCW-GOSISDBHSA-N 1 3 287.451 3.339 20 0 CGADHO CC(C)CN1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001258010706 807265227 /nfs/dbraw/zinc/26/52/27/807265227.db2.gz DBWHNHVOZQHLCW-GOSISDBHSA-N 1 3 287.451 3.339 20 0 CGADHO CCc1cc(C)cc(CC)c1NC(=N)SCC[NH3+] ZINC001167914266 807273050 /nfs/dbraw/zinc/27/30/50/807273050.db2.gz JFZUAQCEAKJROT-UHFFFAOYSA-N 1 3 265.426 3.158 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168152512 807327979 /nfs/dbraw/zinc/32/79/79/807327979.db2.gz WKUREULTRJYMQZ-CYBMUJFWSA-N 1 3 268.832 3.330 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccc(Cl)cc1 ZINC001168152512 807327984 /nfs/dbraw/zinc/32/79/84/807327984.db2.gz WKUREULTRJYMQZ-CYBMUJFWSA-N 1 3 268.832 3.330 20 0 CGADHO CSCC[C@@H](C)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001258199953 807358688 /nfs/dbraw/zinc/35/86/88/807358688.db2.gz LSGYQRUJEYQOOH-ZBFHGGJFSA-N 1 3 280.481 3.411 20 0 CGADHO CN(Cc1nc2ccccc2o1)C1CCC([NH+](C)C)CC1 ZINC001168327396 807385095 /nfs/dbraw/zinc/38/50/95/807385095.db2.gz MGLTXMVEFXLDRT-UHFFFAOYSA-N 1 3 287.407 3.132 20 0 CGADHO Cc1cccnc1[C@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC001168358942 807392245 /nfs/dbraw/zinc/39/22/45/807392245.db2.gz ZEYGTZOUADNJEA-LJQANCHMSA-N 1 3 299.462 3.305 20 0 CGADHO c1ccc2c(c1)CCCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168391071 807401208 /nfs/dbraw/zinc/40/12/08/807401208.db2.gz LMFDJXBWZCFQBY-UHFFFAOYSA-N 1 3 284.447 3.309 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258306323 807404431 /nfs/dbraw/zinc/40/44/31/807404431.db2.gz NAOPLEOSDSSQNL-STQMWFEESA-N 1 3 284.469 3.254 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C2CCN(CC3CCOCC3)CC2)C1 ZINC001258599136 807498125 /nfs/dbraw/zinc/49/81/25/807498125.db2.gz UITPZIPCLQWWOH-KRWDZBQOSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ncccc1C ZINC001169090636 807571220 /nfs/dbraw/zinc/57/12/20/807571220.db2.gz JYSJKXKCPZFKLP-FZKCQIBNSA-N 1 3 273.424 3.056 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169094921 807574008 /nfs/dbraw/zinc/57/40/08/807574008.db2.gz NOVIMAGQCZCPHH-WCXIOVBPSA-N 1 3 258.409 3.353 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169094921 807574012 /nfs/dbraw/zinc/57/40/12/807574012.db2.gz NOVIMAGQCZCPHH-WCXIOVBPSA-N 1 3 258.409 3.353 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C2 ZINC001169096850 807574093 /nfs/dbraw/zinc/57/40/93/807574093.db2.gz ZCOIVJGSWRZOSC-CLLJXQQHSA-N 1 3 282.790 3.194 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3ccoc3c1)C2 ZINC001169108548 807578150 /nfs/dbraw/zinc/57/81/50/807578150.db2.gz BCLQFSLQCBWNBT-MUJYYYPQSA-N 1 3 270.376 3.148 20 0 CGADHO CN(CCc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169148436 807593310 /nfs/dbraw/zinc/59/33/10/807593310.db2.gz YYLKPBAUZVSYKQ-FVQHAEBGSA-N 1 3 292.854 3.440 20 0 CGADHO CN(CCc1cccc(Cl)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169148436 807593316 /nfs/dbraw/zinc/59/33/16/807593316.db2.gz YYLKPBAUZVSYKQ-FVQHAEBGSA-N 1 3 292.854 3.440 20 0 CGADHO CCN(Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152875 807595152 /nfs/dbraw/zinc/59/51/52/807595152.db2.gz FYZOWOOIGFVDJV-BJWYYQGGSA-N 1 3 288.435 3.142 20 0 CGADHO CCN(Cc1ccc(OC)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152875 807595157 /nfs/dbraw/zinc/59/51/57/807595157.db2.gz FYZOWOOIGFVDJV-BJWYYQGGSA-N 1 3 288.435 3.142 20 0 CGADHO CCC[NH+]1CCC(N2CCc3ccccc3[C@H]2C)CC1 ZINC001258771467 807605112 /nfs/dbraw/zinc/60/51/12/807605112.db2.gz DBJRAIIAAGUJEU-OAHLLOKOSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([N@H+](C)C3CCOCC3)CC2)C1 ZINC001258825440 807640327 /nfs/dbraw/zinc/64/03/27/807640327.db2.gz CSKUGEMPKBDDNL-QAPCUYQASA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)C1 ZINC001258825440 807640329 /nfs/dbraw/zinc/64/03/29/807640329.db2.gz CSKUGEMPKBDDNL-QAPCUYQASA-N 1 3 294.483 3.140 20 0 CGADHO C[C@@H]1CCCCN1c1cccc(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169562335 807667113 /nfs/dbraw/zinc/66/71/13/807667113.db2.gz AJUYGMZDUNEGGC-HUUCEWRRSA-N 1 3 288.439 3.014 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)n1nc(CN)c2ccccc21 ZINC001258899447 807668708 /nfs/dbraw/zinc/66/87/08/807668708.db2.gz MHPWUEMVHBGENQ-AWEZNQCLSA-N 1 3 288.439 3.178 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCC(=O)c1ccc(F)cc1 ZINC001258898252 807669151 /nfs/dbraw/zinc/66/91/51/807669151.db2.gz HIHBAAGKFFBKDX-CQSZACIVSA-N 1 3 294.414 3.109 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cn(C2CCC2)cn1 ZINC001258903962 807670937 /nfs/dbraw/zinc/67/09/37/807670937.db2.gz CARKQZNWMALKLN-OAHLLOKOSA-N 1 3 292.471 3.208 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC001170112713 807761593 /nfs/dbraw/zinc/76/15/93/807761593.db2.gz KXDIOVWCBKIYPA-DZGCQCFKSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001170169518 807783871 /nfs/dbraw/zinc/78/38/71/807783871.db2.gz DPFOHYADRGVDCF-KSZLIROESA-N 1 3 290.451 3.227 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)CN1CCCC1 ZINC001262160637 807830608 /nfs/dbraw/zinc/83/06/08/807830608.db2.gz KYVNONPZGSWYBH-ZWKOTPCHSA-N 1 3 294.483 3.047 20 0 CGADHO CC1(C)[C@@H]2C[C@H](N3CCC([NH3+])(c4ccccc4)CC3)C[C@@H]21 ZINC001170737599 807894108 /nfs/dbraw/zinc/89/41/08/807894108.db2.gz HSYXFJNBVYQUKY-BJWYYQGGSA-N 1 3 284.447 3.371 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171444191 808058745 /nfs/dbraw/zinc/05/87/45/808058745.db2.gz DJVLBPGJMLJHTP-OAHLLOKOSA-N 1 3 296.405 3.144 20 0 CGADHO CN1C(C)(C)CC([NH2+]C(C)(C)C2CC2)CC1(C)C ZINC001171613491 808105621 /nfs/dbraw/zinc/10/56/21/808105621.db2.gz LPAWOFGEZLDEOT-UHFFFAOYSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171629436 808108330 /nfs/dbraw/zinc/10/83/30/808108330.db2.gz QYQBILMRWRHCKF-CYBMUJFWSA-N 1 3 252.446 3.370 20 0 CGADHO C[C@@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171629436 808108333 /nfs/dbraw/zinc/10/83/33/808108333.db2.gz QYQBILMRWRHCKF-CYBMUJFWSA-N 1 3 252.446 3.370 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001171678452 808121803 /nfs/dbraw/zinc/12/18/03/808121803.db2.gz FVRXGDJFGCBRST-KRWDZBQOSA-N 1 3 286.463 3.344 20 0 CGADHO CC1(C)C[C@H](N2CC=CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171978199 808163007 /nfs/dbraw/zinc/16/30/07/808163007.db2.gz XBPDFRBWIGYPAM-QGZVFWFLSA-N 1 3 270.420 3.301 20 0 CGADHO CC1(C)C[C@H](N2CC=CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978199 808163009 /nfs/dbraw/zinc/16/30/09/808163009.db2.gz XBPDFRBWIGYPAM-QGZVFWFLSA-N 1 3 270.420 3.301 20 0 CGADHO Cc1ccc(F)cc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102627 808174648 /nfs/dbraw/zinc/17/46/48/808174648.db2.gz NQVXCCKQOMXUJC-OSYLJGHBSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(F)cc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102627 808174653 /nfs/dbraw/zinc/17/46/53/808174653.db2.gz NQVXCCKQOMXUJC-OSYLJGHBSA-N 1 3 276.399 3.239 20 0 CGADHO Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172102627 808174658 /nfs/dbraw/zinc/17/46/58/808174658.db2.gz NQVXCCKQOMXUJC-OSYLJGHBSA-N 1 3 276.399 3.239 20 0 CGADHO CC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccn1 ZINC001172106462 808176036 /nfs/dbraw/zinc/17/60/36/808176036.db2.gz PAYMZQFXAWRSMI-FZKCQIBNSA-N 1 3 273.424 3.138 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001172116582 808179718 /nfs/dbraw/zinc/17/97/18/808179718.db2.gz BKYZEOFQLCXMIG-MTSZKFMLSA-N 1 3 262.441 3.124 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001172116582 808179722 /nfs/dbraw/zinc/17/97/22/808179722.db2.gz BKYZEOFQLCXMIG-MTSZKFMLSA-N 1 3 262.441 3.124 20 0 CGADHO COc1ccccc1C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120889 808183015 /nfs/dbraw/zinc/18/30/15/808183015.db2.gz GXGOZDAUXXDPKB-BJWYYQGGSA-N 1 3 288.435 3.142 20 0 CGADHO COc1ccccc1C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120889 808183021 /nfs/dbraw/zinc/18/30/21/808183021.db2.gz GXGOZDAUXXDPKB-BJWYYQGGSA-N 1 3 288.435 3.142 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129302 808185843 /nfs/dbraw/zinc/18/58/43/808185843.db2.gz YCAKJTWIODEVAS-YJNKXOJESA-N 1 3 291.464 3.295 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1nccs1)C2 ZINC001172129302 808185844 /nfs/dbraw/zinc/18/58/44/808185844.db2.gz YCAKJTWIODEVAS-YJNKXOJESA-N 1 3 291.464 3.295 20 0 CGADHO CC(C)OCC[C@H](C)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001172436996 808313510 /nfs/dbraw/zinc/31/35/10/808313510.db2.gz LHHPFBWJWAZPOC-HNNXBMFYSA-N 1 3 282.472 3.174 20 0 CGADHO CC(C)(C)CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275050817 808900157 /nfs/dbraw/zinc/90/01/57/808900157.db2.gz KJITVVXRIZSRNU-UHFFFAOYSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@@H+]1CCCC2(CCN(Cc3ccccc3F)CC2)C1 ZINC001275245579 808922640 /nfs/dbraw/zinc/92/26/40/808922640.db2.gz MWHSUMGCHALJGT-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO C[N@H+]1CCCC2(CCN(Cc3ccccc3F)CC2)C1 ZINC001275245579 808922647 /nfs/dbraw/zinc/92/26/47/808922647.db2.gz MWHSUMGCHALJGT-UHFFFAOYSA-N 1 3 276.399 3.134 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(C)cc3)(C1)CCC2 ZINC001275912094 808975484 /nfs/dbraw/zinc/97/54/84/808975484.db2.gz LBQUXNRPVDBCPL-DLBZAZTESA-N 1 3 258.409 3.149 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833068 809034643 /nfs/dbraw/zinc/03/46/43/809034643.db2.gz HJFJISRWDWXBBX-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3cccnc3c1)C2 ZINC001276833068 809034650 /nfs/dbraw/zinc/03/46/50/809034650.db2.gz HJFJISRWDWXBBX-IBGZPJMESA-N 1 3 295.430 3.153 20 0 CGADHO Cn1ccc2ccc(C[N@H+]3CCC[C@]4(CCN(C)C4)C3)cc21 ZINC001276846755 809038287 /nfs/dbraw/zinc/03/82/87/809038287.db2.gz WDRSKRNHBUFBEK-LJQANCHMSA-N 1 3 297.446 3.096 20 0 CGADHO Cn1ccc2ccc(C[N@@H+]3CCC[C@]4(CCN(C)C4)C3)cc21 ZINC001276846755 809038294 /nfs/dbraw/zinc/03/82/94/809038294.db2.gz WDRSKRNHBUFBEK-LJQANCHMSA-N 1 3 297.446 3.096 20 0 CGADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2nc(C)ccc12 ZINC001278173709 809118181 /nfs/dbraw/zinc/11/81/81/809118181.db2.gz RKKITWFCTLFQQX-ALOPSCKCSA-N 1 3 295.430 3.258 20 0 CGADHO CCCCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176282313 809658747 /nfs/dbraw/zinc/65/87/47/809658747.db2.gz WLFJUOSTIFVBAN-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001176282313 809658749 /nfs/dbraw/zinc/65/87/49/809658749.db2.gz WLFJUOSTIFVBAN-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCCC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001176282313 809658753 /nfs/dbraw/zinc/65/87/53/809658753.db2.gz WLFJUOSTIFVBAN-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@H]2C1 ZINC001179817921 809948647 /nfs/dbraw/zinc/94/86/47/809948647.db2.gz SJFUIPGSQVUKHU-UFYCRDLUSA-N 1 3 298.474 3.459 20 0 CGADHO CCCc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1 ZINC001179818414 809948937 /nfs/dbraw/zinc/94/89/37/809948937.db2.gz YGNAUVBZYYUCBQ-FGTMMUONSA-N 1 3 272.436 3.069 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC001182910830 810130958 /nfs/dbraw/zinc/13/09/58/810130958.db2.gz QYEBDUFRAVXALM-DLBZAZTESA-N 1 3 286.463 3.113 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001184387759 810196366 /nfs/dbraw/zinc/19/63/66/810196366.db2.gz NEOVCZNAOVMPJR-RBGFHDKUSA-N 1 3 264.457 3.131 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)C12CCCCC2 ZINC001194092394 811014173 /nfs/dbraw/zinc/01/41/73/811014173.db2.gz OYNXHIPIYMXBBH-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO CCC[C@@H](C)CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001201552657 811899537 /nfs/dbraw/zinc/89/95/37/811899537.db2.gz PUHJFJLELZNBJX-CQSZACIVSA-N 1 3 270.436 3.321 20 0 CGADHO CC[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001201581841 811912839 /nfs/dbraw/zinc/91/28/39/811912839.db2.gz PTLOGFSXRSVZDC-ULQDDVLXSA-N 1 3 258.409 3.117 20 0 CGADHO CC[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001201581841 811912846 /nfs/dbraw/zinc/91/28/46/811912846.db2.gz PTLOGFSXRSVZDC-ULQDDVLXSA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc(C[N@H+]2C[C@H]3CCN(CC4CCC4)C[C@H]3C2)cc1 ZINC001202775240 812170383 /nfs/dbraw/zinc/17/03/83/812170383.db2.gz AURLBNKVPZCGNG-MOPGFXCFSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2C[C@H]3CCN(CC4CCC4)C[C@H]3C2)cc1 ZINC001202775240 812170386 /nfs/dbraw/zinc/17/03/86/812170386.db2.gz AURLBNKVPZCGNG-MOPGFXCFSA-N 1 3 284.447 3.240 20 0 CGADHO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc2c(s1)CNCC2 ZINC001204599323 812686038 /nfs/dbraw/zinc/68/60/38/812686038.db2.gz WVJWKMBMYXDHEF-RYUDHWBXSA-N 1 3 264.438 3.157 20 0 CGADHO CC(C)(O)CCCC1=CC[C@@H](CN2CC[C@](C)([NH3+])C2)CC1 ZINC001204764377 812728668 /nfs/dbraw/zinc/72/86/68/812728668.db2.gz YFTIDNLKGHNJLM-AEFFLSMTSA-N 1 3 294.483 3.077 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCC[C@](C)(N)C2)C1(C)C ZINC001204937498 812785418 /nfs/dbraw/zinc/78/54/18/812785418.db2.gz CTGPRDHIMPNKNG-HOCLYGCPSA-N 1 3 250.430 3.182 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCC[C@](C)(N)C2)C1(C)C ZINC001204937498 812785425 /nfs/dbraw/zinc/78/54/25/812785425.db2.gz CTGPRDHIMPNKNG-HOCLYGCPSA-N 1 3 250.430 3.182 20 0 CGADHO CCn1ccc2c1cccc2CN1CCC[C@@H](C[NH2+]C)C1 ZINC001205009516 812822094 /nfs/dbraw/zinc/82/20/94/812822094.db2.gz VRFJKIQGXQONQQ-HNNXBMFYSA-N 1 3 285.435 3.093 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2cccc3c(F)cccc23)CC1 ZINC001205123872 812877415 /nfs/dbraw/zinc/87/74/15/812877415.db2.gz GGJMWPPBBVXZOX-CQSZACIVSA-N 1 3 272.367 3.292 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001205296250 812937084 /nfs/dbraw/zinc/93/70/84/812937084.db2.gz JZJZXKAAAXAXPX-ARFHVFGLSA-N 1 3 252.446 3.286 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC001205296250 812937091 /nfs/dbraw/zinc/93/70/91/812937091.db2.gz JZJZXKAAAXAXPX-ARFHVFGLSA-N 1 3 252.446 3.286 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001205296252 812937221 /nfs/dbraw/zinc/93/72/21/812937221.db2.gz JZJZXKAAAXAXPX-JYJNAYRXSA-N 1 3 252.446 3.286 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC001205296252 812937226 /nfs/dbraw/zinc/93/72/26/812937226.db2.gz JZJZXKAAAXAXPX-JYJNAYRXSA-N 1 3 252.446 3.286 20 0 CGADHO CCOc1ccc(C)c(CN2CCC[C@](C)([NH3+])CC2)c1 ZINC001205296574 812937657 /nfs/dbraw/zinc/93/76/57/812937657.db2.gz RINGVXOKHGWSLW-KRWDZBQOSA-N 1 3 276.424 3.097 20 0 CGADHO C[C@H]1CCN(Cc2cccc(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC001205303628 812941637 /nfs/dbraw/zinc/94/16/37/812941637.db2.gz IWZJAGMSTXQAKJ-GOEBONIOSA-N 1 3 274.452 3.401 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001205391164 812977395 /nfs/dbraw/zinc/97/73/95/812977395.db2.gz JYPQERMZHISMRX-HZPDHXFCSA-N 1 3 284.488 3.292 20 0 CGADHO C[C@H]1CCN(Cc2cccc(F)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626301 813032764 /nfs/dbraw/zinc/03/27/64/813032764.db2.gz FNWSESLJMPCTPG-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2ccsc2Cl)CC[C@@H]1C[NH3+] ZINC001205638831 813037552 /nfs/dbraw/zinc/03/75/52/813037552.db2.gz SHYILGMECFXDQI-WDEREUQCSA-N 1 3 272.845 3.208 20 0 CGADHO Cc1cc(CN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(F)cc1F ZINC001205639286 813037985 /nfs/dbraw/zinc/03/79/85/813037985.db2.gz YMRSZQRVFHCPEK-WCQYABFASA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCC(C)(C)c1ccccc1 ZINC001205900997 813123521 /nfs/dbraw/zinc/12/35/21/813123521.db2.gz AJGSCLDMYZCNAH-CVEARBPZSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCC(C)(C)c1ccccc1 ZINC001205900997 813123522 /nfs/dbraw/zinc/12/35/22/813123522.db2.gz AJGSCLDMYZCNAH-CVEARBPZSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001205903610 813125931 /nfs/dbraw/zinc/12/59/31/813125931.db2.gz QGVYXUYZHGVCGX-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001205903610 813125935 /nfs/dbraw/zinc/12/59/35/813125935.db2.gz QGVYXUYZHGVCGX-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1CCCc1ccc(Cl)cc1 ZINC001205903610 813125939 /nfs/dbraw/zinc/12/59/39/813125939.db2.gz QGVYXUYZHGVCGX-ZFWWWQNUSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cccc(-c2ccccn2)c1 ZINC001205913252 813129645 /nfs/dbraw/zinc/12/96/45/813129645.db2.gz IAZYATFZOQBCBH-MAUKXSAKSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1CN(Cc2cc(Cl)ccc2F)CCC[C@H]1C[NH3+] ZINC001205995330 813157220 /nfs/dbraw/zinc/15/72/20/813157220.db2.gz NQMNZPDWSYAQJA-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036416 813175959 /nfs/dbraw/zinc/17/59/59/813175959.db2.gz JIBJLVKADOHOOB-UIBBOPPKSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C[C@H]1N ZINC001206036416 813175963 /nfs/dbraw/zinc/17/59/63/813175963.db2.gz JIBJLVKADOHOOB-UIBBOPPKSA-N 1 3 278.827 3.113 20 0 CGADHO COc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1C(C)C ZINC001206172544 813224931 /nfs/dbraw/zinc/22/49/31/813224931.db2.gz APADWKBOLRCBJZ-HOTGVXAUSA-N 1 3 294.414 3.080 20 0 CGADHO COc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1C(C)C ZINC001206172544 813224939 /nfs/dbraw/zinc/22/49/39/813224939.db2.gz APADWKBOLRCBJZ-HOTGVXAUSA-N 1 3 294.414 3.080 20 0 CGADHO NC[C@]1(F)CCCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363457 813304211 /nfs/dbraw/zinc/30/42/11/813304211.db2.gz XHFIBLOXXZGTAH-QGZVFWFLSA-N 1 3 276.399 3.217 20 0 CGADHO NC[C@]1(F)CCCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001206363457 813304218 /nfs/dbraw/zinc/30/42/18/813304218.db2.gz XHFIBLOXXZGTAH-QGZVFWFLSA-N 1 3 276.399 3.217 20 0 CGADHO CC(C)[N@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCCNCC1 ZINC001206581036 813363013 /nfs/dbraw/zinc/36/30/13/813363013.db2.gz HJHZJJCTCSFSLY-YLFCFFPRSA-N 1 3 262.441 3.051 20 0 CGADHO CC(C)[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H]1CCCNCC1 ZINC001206581036 813363021 /nfs/dbraw/zinc/36/30/21/813363021.db2.gz HJHZJJCTCSFSLY-YLFCFFPRSA-N 1 3 262.441 3.051 20 0 CGADHO Cc1sccc1CN(C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597720 813370239 /nfs/dbraw/zinc/37/02/39/813370239.db2.gz FNEBLACXSINKKD-HNNXBMFYSA-N 1 3 266.454 3.409 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606588 813371882 /nfs/dbraw/zinc/37/18/82/813371882.db2.gz QQXAYHPXTFHVMN-HOTGVXAUSA-N 1 3 252.446 3.430 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606588 813371888 /nfs/dbraw/zinc/37/18/88/813371888.db2.gz QQXAYHPXTFHVMN-HOTGVXAUSA-N 1 3 252.446 3.430 20 0 CGADHO Cc1ccc([C@H](C)CCN2CCCC[C@@H](C[NH3+])C2)o1 ZINC001206606142 813372292 /nfs/dbraw/zinc/37/22/92/813372292.db2.gz FMIPFBHNMNHTDJ-HIFRSBDPSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@H](CN)C2)o1 ZINC001206606142 813372298 /nfs/dbraw/zinc/37/22/98/813372298.db2.gz FMIPFBHNMNHTDJ-HIFRSBDPSA-N 1 3 264.413 3.142 20 0 CGADHO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@H](CN)C2)o1 ZINC001206606142 813372305 /nfs/dbraw/zinc/37/23/05/813372305.db2.gz FMIPFBHNMNHTDJ-HIFRSBDPSA-N 1 3 264.413 3.142 20 0 CGADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(F)c3ccoc32)C1 ZINC001206641233 813383397 /nfs/dbraw/zinc/38/33/97/813383397.db2.gz USVLMWZVLSWVNL-GFCCVEGCSA-N 1 3 276.355 3.133 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1)N(C)C ZINC001206827235 813446739 /nfs/dbraw/zinc/44/67/39/813446739.db2.gz KPOCIKXJDVRDAY-NXHRZFHOSA-N 1 3 274.452 3.427 20 0 CGADHO CCN(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001207261036 813523957 /nfs/dbraw/zinc/52/39/57/813523957.db2.gz IZUJKYREPVMYPH-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO C[NH+]1CCC(CCN2CCc3cccc(Cl)c3C2)CC1 ZINC001207487409 813574204 /nfs/dbraw/zinc/57/42/04/813574204.db2.gz ISPGFGXEIFOFSP-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO C[C@H](CCCC(C)(C)O)CCN1CCC([NH+]2CCC2)CC1 ZINC001207693630 813637565 /nfs/dbraw/zinc/63/75/65/813637565.db2.gz UVEAFHAWIQQJMD-MRXNPFEDSA-N 1 3 296.499 3.124 20 0 CGADHO C(CN1CCCC1)[C@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001207747517 813644328 /nfs/dbraw/zinc/64/43/28/813644328.db2.gz KYZSKDBIZQOQBQ-QGZVFWFLSA-N 1 3 296.524 3.470 20 0 CGADHO C(CN1CCCC1)[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001207747517 813644332 /nfs/dbraw/zinc/64/43/32/813644332.db2.gz KYZSKDBIZQOQBQ-QGZVFWFLSA-N 1 3 296.524 3.470 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCC(C)(C)SC ZINC001207858300 813661055 /nfs/dbraw/zinc/66/10/55/813661055.db2.gz KLKWQAITWBBCGE-CYBMUJFWSA-N 1 3 260.491 3.228 20 0 CGADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607328 813773377 /nfs/dbraw/zinc/77/33/77/813773377.db2.gz LRKFXNNZCZMRBU-DYVFJYSZSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001208607328 813773381 /nfs/dbraw/zinc/77/33/81/813773381.db2.gz LRKFXNNZCZMRBU-DYVFJYSZSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607330 813773806 /nfs/dbraw/zinc/77/38/06/813773806.db2.gz LRKFXNNZCZMRBU-SUMWQHHRSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001208607330 813773810 /nfs/dbraw/zinc/77/38/10/813773810.db2.gz LRKFXNNZCZMRBU-SUMWQHHRSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CC=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC001208978353 813910118 /nfs/dbraw/zinc/91/01/18/813910118.db2.gz BRBSERQSKAFIRE-UHFFFAOYSA-N 1 3 299.462 3.346 20 0 CGADHO CC[C@H](C)[C@@H]([NH3+])CC(=O)NCCP(C(C)C)C(C)C ZINC001221254845 816308093 /nfs/dbraw/zinc/30/80/93/816308093.db2.gz XARFQAFVWGTKHL-KBPBESRZSA-N 1 3 288.416 3.165 20 0 CGADHO c1cc2cccc(CN3CC[C@@]4(C3)CCC[NH2+]C4)c2o1 ZINC001222153867 816361233 /nfs/dbraw/zinc/36/12/33/816361233.db2.gz BSWZJPMOYDHIBU-KRWDZBQOSA-N 1 3 270.376 3.008 20 0 CGADHO Fc1cccc(CCCN2CCC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001222259511 816388823 /nfs/dbraw/zinc/38/88/23/816388823.db2.gz RRBQSGBGRSBQDR-SFHVURJKSA-N 1 3 290.426 3.224 20 0 CGADHO Cc1c(F)cccc1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222310440 816404955 /nfs/dbraw/zinc/40/49/55/816404955.db2.gz VOJIPRWCFQSLOT-KRWDZBQOSA-N 1 3 276.399 3.242 20 0 CGADHO COc1ccc(C)cc1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222315303 816406249 /nfs/dbraw/zinc/40/62/49/816406249.db2.gz MTJZJHSUEJAQAC-GOSISDBHSA-N 1 3 288.435 3.112 20 0 CGADHO Cc1cccc(F)c1CN1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320709 816408554 /nfs/dbraw/zinc/40/85/54/816408554.db2.gz LLIATONFIIPRBX-QGZVFWFLSA-N 1 3 276.399 3.242 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC001222422371 816440267 /nfs/dbraw/zinc/44/02/67/816440267.db2.gz UOJGEEVUVZJWOC-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC001222422371 816440271 /nfs/dbraw/zinc/44/02/71/816440271.db2.gz UOJGEEVUVZJWOC-CVEARBPZSA-N 1 3 252.446 3.421 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222596033 816475211 /nfs/dbraw/zinc/47/52/11/816475211.db2.gz OUURQZGTEDZVNV-LJQANCHMSA-N 1 3 292.426 3.184 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222596033 816475215 /nfs/dbraw/zinc/47/52/15/816475215.db2.gz OUURQZGTEDZVNV-LJQANCHMSA-N 1 3 292.426 3.184 20 0 CGADHO CC(C)(CC[N@@H+]1CC[C@H]2CNCC[C@H]21)c1ccccc1 ZINC001222614165 816479355 /nfs/dbraw/zinc/47/93/55/816479355.db2.gz AYNRFZUMMODCHA-DOTOQJQBSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)(CC[N@H+]1CC[C@H]2CNCC[C@H]21)c1ccccc1 ZINC001222614165 816479361 /nfs/dbraw/zinc/47/93/61/816479361.db2.gz AYNRFZUMMODCHA-DOTOQJQBSA-N 1 3 272.436 3.038 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CC[C@H]3CNCC[C@H]32)C1(C)C ZINC001222615939 816479731 /nfs/dbraw/zinc/47/97/31/816479731.db2.gz UIIIRWXCYMTQSI-HRCADAONSA-N 1 3 262.441 3.053 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CC[C@H]3CNCC[C@H]32)C1(C)C ZINC001222615939 816479737 /nfs/dbraw/zinc/47/97/37/816479737.db2.gz UIIIRWXCYMTQSI-HRCADAONSA-N 1 3 262.441 3.053 20 0 CGADHO COc1ccc(CC[N@H+](C)Cc2cc3cnccc3[nH]2)cc1 ZINC001232014207 818232600 /nfs/dbraw/zinc/23/26/00/818232600.db2.gz KVJGFTLZXZHDKR-UHFFFAOYSA-N 1 3 295.386 3.246 20 0 CGADHO COc1ccc(CC[N@@H+](C)Cc2cc3cnccc3[nH]2)cc1 ZINC001232014207 818232606 /nfs/dbraw/zinc/23/26/06/818232606.db2.gz KVJGFTLZXZHDKR-UHFFFAOYSA-N 1 3 295.386 3.246 20 0 CGADHO Cc1cc(CN(C2CCCC2)C2CC[NH+](C)CC2)sn1 ZINC001233313967 818574144 /nfs/dbraw/zinc/57/41/44/818574144.db2.gz ZAIZPZNMIIKKRT-UHFFFAOYSA-N 1 3 293.480 3.290 20 0 CGADHO Clc1ccc([C@@H]2C[C@H]2CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235029993 818982507 /nfs/dbraw/zinc/98/25/07/818982507.db2.gz DEYKKOQVPJXCAQ-XIRDDKMYSA-N 1 3 290.838 3.129 20 0 CGADHO Fc1cccc(CCCN2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042554 818987788 /nfs/dbraw/zinc/98/77/88/818987788.db2.gz XPUZQSDXAMFPOG-GOSISDBHSA-N 1 3 290.426 3.366 20 0 CGADHO CCCCOc1cccc(CN2CC3(C2)CC[NH2+]CC3)c1 ZINC001235089229 818998133 /nfs/dbraw/zinc/99/81/33/818998133.db2.gz MQYYQBOHTFPZIB-UHFFFAOYSA-N 1 3 288.435 3.051 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC12CCNCC2 ZINC001235102454 819002592 /nfs/dbraw/zinc/00/25/92/819002592.db2.gz NFXBRXHAMWLPFG-UHFFFAOYSA-N 1 3 288.479 3.421 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC12CCNCC2 ZINC001235102454 819002599 /nfs/dbraw/zinc/00/25/99/819002599.db2.gz NFXBRXHAMWLPFG-UHFFFAOYSA-N 1 3 288.479 3.421 20 0 CGADHO C(CC12CC3CC(CC(C3)C1)C2)N1CCC12CC[NH2+]CC2 ZINC001235102454 819002600 /nfs/dbraw/zinc/00/26/00/819002600.db2.gz NFXBRXHAMWLPFG-UHFFFAOYSA-N 1 3 288.479 3.421 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1C ZINC001235194382 819032015 /nfs/dbraw/zinc/03/20/15/819032015.db2.gz URIDGDHXKPAVLW-QZTJIDSGSA-N 1 3 286.463 3.270 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2CNCC[C@H]21 ZINC001235262433 819055264 /nfs/dbraw/zinc/05/52/64/819055264.db2.gz RDLGVXPWLXVOSD-HRCADAONSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2CNCC[C@H]21 ZINC001235262433 819055267 /nfs/dbraw/zinc/05/52/67/819055267.db2.gz RDLGVXPWLXVOSD-HRCADAONSA-N 1 3 250.430 3.053 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235406901 819088149 /nfs/dbraw/zinc/08/81/49/819088149.db2.gz RITROZPYWVXYRQ-ZWKOTPCHSA-N 1 3 288.410 3.088 20 0 CGADHO F[C@H]1CCNC[C@@]12CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235406901 819088156 /nfs/dbraw/zinc/08/81/56/819088156.db2.gz RITROZPYWVXYRQ-ZWKOTPCHSA-N 1 3 288.410 3.088 20 0 CGADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](C)CCCN ZINC001235435301 819098206 /nfs/dbraw/zinc/09/82/06/819098206.db2.gz HVHQVHWJLXTYJD-OAHLLOKOSA-N 1 3 276.468 3.443 20 0 CGADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)CCCN ZINC001235435301 819098210 /nfs/dbraw/zinc/09/82/10/819098210.db2.gz HVHQVHWJLXTYJD-OAHLLOKOSA-N 1 3 276.468 3.443 20 0 CGADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)CN(C)CCC[NH3+] ZINC001235435301 819098214 /nfs/dbraw/zinc/09/82/14/819098214.db2.gz HVHQVHWJLXTYJD-OAHLLOKOSA-N 1 3 276.468 3.443 20 0 CGADHO C[NH2+]CC1CCN(Cc2cccc(C)c2Cl)CC1 ZINC001235679733 819138546 /nfs/dbraw/zinc/13/85/46/819138546.db2.gz NBKIPLRDONEPPK-UHFFFAOYSA-N 1 3 266.816 3.080 20 0 CGADHO CC1=CC[C@H](CCN2CCCC3(C[NH2+]C3)C2)C1(C)C ZINC001235712038 819148762 /nfs/dbraw/zinc/14/87/62/819148762.db2.gz YGUBATBWMNUUBW-OAHLLOKOSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCCC3(CNC3)C2)C1(C)C ZINC001235712038 819148766 /nfs/dbraw/zinc/14/87/66/819148766.db2.gz YGUBATBWMNUUBW-OAHLLOKOSA-N 1 3 262.441 3.054 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCCC3(CNC3)C2)C1(C)C ZINC001235712038 819148768 /nfs/dbraw/zinc/14/87/68/819148768.db2.gz YGUBATBWMNUUBW-OAHLLOKOSA-N 1 3 262.441 3.054 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CNCC2 ZINC001235927921 819226563 /nfs/dbraw/zinc/22/65/63/819226563.db2.gz OXLDPSKHTHAUPP-CYBMUJFWSA-N 1 3 264.438 3.158 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CNCC2 ZINC001235927921 819226569 /nfs/dbraw/zinc/22/65/69/819226569.db2.gz OXLDPSKHTHAUPP-CYBMUJFWSA-N 1 3 264.438 3.158 20 0 CGADHO c1cc(-c2cccc(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)cs1 ZINC001235934653 819230961 /nfs/dbraw/zinc/23/09/61/819230961.db2.gz CHIFJVWHGCDSKT-WMZOPIPTSA-N 1 3 298.455 3.456 20 0 CGADHO c1cc(-c2ccccc2)sc1CN1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939872 819234628 /nfs/dbraw/zinc/23/46/28/819234628.db2.gz QTRDCJIMVLWYIE-HOTGVXAUSA-N 1 3 298.455 3.456 20 0 CGADHO Clc1ccc2c(c1)CCN(CCC1CC[NH2+]CC1)C2 ZINC001235939423 819234890 /nfs/dbraw/zinc/23/48/90/819234890.db2.gz BVIQHQZUUGNQHU-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO COCC[N@H+](C[C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235946757 819236172 /nfs/dbraw/zinc/23/61/72/819236172.db2.gz RSVXLSZTVSWFBH-INIZCTEOSA-N 1 3 282.472 3.069 20 0 CGADHO COCC[N@@H+](C[C@@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235946757 819236175 /nfs/dbraw/zinc/23/61/75/819236175.db2.gz RSVXLSZTVSWFBH-INIZCTEOSA-N 1 3 282.472 3.069 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+](C)C[C@H]1CCCNC1 ZINC001235951366 819241209 /nfs/dbraw/zinc/24/12/09/819241209.db2.gz RLLGNBPJUWVWAW-CVEARBPZSA-N 1 3 252.446 3.300 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+](C)C[C@H]1CCCNC1 ZINC001235951366 819241213 /nfs/dbraw/zinc/24/12/13/819241213.db2.gz RLLGNBPJUWVWAW-CVEARBPZSA-N 1 3 252.446 3.300 20 0 CGADHO CN(Cc1cccc2c(F)cccc12)C[C@@H]1CCC[NH2+]C1 ZINC001235957435 819245377 /nfs/dbraw/zinc/24/53/77/819245377.db2.gz NWVHGKSUNSSPPM-CQSZACIVSA-N 1 3 286.394 3.410 20 0 CGADHO CCN(Cc1ccc(F)cc1)Cc1cccc(C[NH3+])c1 ZINC001235964101 819252662 /nfs/dbraw/zinc/25/26/62/819252662.db2.gz ZGDCFTIMFHMELP-UHFFFAOYSA-N 1 3 272.367 3.307 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235981664 819259340 /nfs/dbraw/zinc/25/93/40/819259340.db2.gz XDNLBMSVAANFFI-MNEFBYGVSA-N 1 3 286.463 3.412 20 0 CGADHO C[N@H+](Cc1ccc2n1CCNC2)C(C)(C)Cc1ccccc1 ZINC001236156137 819349019 /nfs/dbraw/zinc/34/90/19/819349019.db2.gz XKMKHPKCQAISKD-UHFFFAOYSA-N 1 3 297.446 3.044 20 0 CGADHO C[N@@H+](Cc1ccc2n1CCNC2)C(C)(C)Cc1ccccc1 ZINC001236156137 819349025 /nfs/dbraw/zinc/34/90/25/819349025.db2.gz XKMKHPKCQAISKD-UHFFFAOYSA-N 1 3 297.446 3.044 20 0 CGADHO C[N@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCCC[C@@H]1N ZINC001236213131 819376179 /nfs/dbraw/zinc/37/61/79/819376179.db2.gz NQFQLPBRUICISF-DLBZAZTESA-N 1 3 284.403 3.247 20 0 CGADHO C[N@@H+](Cc1ccc(O)c2ccccc12)[C@@H]1CCCC[C@@H]1N ZINC001236213131 819376186 /nfs/dbraw/zinc/37/61/86/819376186.db2.gz NQFQLPBRUICISF-DLBZAZTESA-N 1 3 284.403 3.247 20 0 CGADHO C[N@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@H]1N ZINC001236215398 819378493 /nfs/dbraw/zinc/37/84/93/819378493.db2.gz HTRUKEUTEWOYTD-SJLPKXTDSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccccc1-n1cccc1)[C@@H]1CCCC[C@H]1N ZINC001236215398 819378500 /nfs/dbraw/zinc/37/85/00/819378500.db2.gz HTRUKEUTEWOYTD-SJLPKXTDSA-N 1 3 283.419 3.179 20 0 CGADHO C[NH2+]C1CCC(N(C)Cc2c(F)cc(C)cc2OC)CC1 ZINC001236214835 819378526 /nfs/dbraw/zinc/37/85/26/819378526.db2.gz HTEPOMVCAHHMJI-UHFFFAOYSA-N 1 3 294.414 3.105 20 0 CGADHO Cc1cccc2[nH]cc(C[N@@H+](C)[C@@H]3CCCC[C@H]3N)c21 ZINC001236216559 819380037 /nfs/dbraw/zinc/38/00/37/819380037.db2.gz KBVITECBZAVCBM-GDBMZVCRSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2[nH]cc(C[N@H+](C)[C@@H]3CCCC[C@H]3N)c21 ZINC001236216559 819380044 /nfs/dbraw/zinc/38/00/44/819380044.db2.gz KBVITECBZAVCBM-GDBMZVCRSA-N 1 3 271.408 3.178 20 0 CGADHO C[N@H+](Cc1cccc2ccoc21)[C@H]1CCCC[C@@H]1N ZINC001236219234 819385485 /nfs/dbraw/zinc/38/54/85/819385485.db2.gz UWLLBSIYBITOSX-GJZGRUSLSA-N 1 3 258.365 3.135 20 0 CGADHO C[N@@H+](Cc1cccc2ccoc21)[C@H]1CCCC[C@@H]1N ZINC001236219234 819385490 /nfs/dbraw/zinc/38/54/90/819385490.db2.gz UWLLBSIYBITOSX-GJZGRUSLSA-N 1 3 258.365 3.135 20 0 CGADHO Cc1c[nH]c(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1C ZINC001236376574 819442994 /nfs/dbraw/zinc/44/29/94/819442994.db2.gz TYXYNQYNXOOQEE-INIZCTEOSA-N 1 3 289.467 3.376 20 0 CGADHO CCN(Cc1cccc2[nH]cc(Cl)c21)C[C@@H]1CC[NH2+]C1 ZINC001236408403 819455709 /nfs/dbraw/zinc/45/57/09/819455709.db2.gz LLVBNCGDKZQLCG-GFCCVEGCSA-N 1 3 291.826 3.253 20 0 CGADHO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](N)[C@H]1C ZINC001236417630 819463129 /nfs/dbraw/zinc/46/31/29/819463129.db2.gz CKFKHXJAZLHFHH-RDTXWAMCSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](N)[C@H]1C ZINC001236417630 819463133 /nfs/dbraw/zinc/46/31/33/819463133.db2.gz CKFKHXJAZLHFHH-RDTXWAMCSA-N 1 3 268.404 3.460 20 0 CGADHO c1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001236444192 819481538 /nfs/dbraw/zinc/48/15/38/819481538.db2.gz XKACSTFKRXQIAW-MRXNPFEDSA-N 1 3 258.409 3.041 20 0 CGADHO Cc1cccc(CN(C)CC2CC[NH+](C)CC2)c1Cl ZINC001236854397 819623426 /nfs/dbraw/zinc/62/34/26/819623426.db2.gz RHJNFCWMLUIKJO-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(-n3cccc3)cc2)C1 ZINC001237059835 819656068 /nfs/dbraw/zinc/65/60/68/819656068.db2.gz WAGGPJNXVXVNTC-SFHVURJKSA-N 1 3 283.419 3.038 20 0 CGADHO COc1cc(C)c(CN2CCC[C@@](C)(C[NH3+])C2)c(C)c1C ZINC001237059314 819657035 /nfs/dbraw/zinc/65/70/35/819657035.db2.gz SOGFWDNLXJSQKV-SFHVURJKSA-N 1 3 290.451 3.181 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c12 ZINC001237636818 819795576 /nfs/dbraw/zinc/79/55/76/819795576.db2.gz QRSWIWRMWGXBNF-CRAIPNDOSA-N 1 3 295.430 3.069 20 0 CGADHO Cc1ccnc2cccc(CN3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c12 ZINC001237636818 819795581 /nfs/dbraw/zinc/79/55/81/819795581.db2.gz QRSWIWRMWGXBNF-CRAIPNDOSA-N 1 3 295.430 3.069 20 0 CGADHO C[NH+]1CCC(c2ccc(-c3ccc(CN)nc3)cc2)CC1 ZINC001243654941 823475583 /nfs/dbraw/zinc/47/55/83/823475583.db2.gz ORCNKCKJXWHTJD-UHFFFAOYSA-N 1 3 281.403 3.017 20 0 CGADHO CC(C)(C)[NH2+]Cc1ccc(-c2cc(N)ccn2)cc1 ZINC001240360102 820992264 /nfs/dbraw/zinc/99/22/64/820992264.db2.gz GQHAAHQMLCWVFF-UHFFFAOYSA-N 1 3 255.365 3.219 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC001335441746 936145928 /nfs/dbraw/zinc/14/59/28/936145928.db2.gz RUTOVSPOOPEGEQ-LBPRGKRZSA-N 1 3 295.496 3.433 20 0 CGADHO c1cc(NCC2([NH+]3CCCCC3)CCCCC2)ccn1 ZINC001347773231 936895367 /nfs/dbraw/zinc/89/53/67/936895367.db2.gz VYQSWHAZSNQZGV-UHFFFAOYSA-N 1 3 273.424 3.104 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CCC(CC)CC2)C1 ZINC000098173265 931996074 /nfs/dbraw/zinc/99/60/74/931996074.db2.gz VMCPXNFUNHCMCJ-PCKAHOCUSA-N 1 3 252.446 3.277 20 0 CGADHO c1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218503 932006292 /nfs/dbraw/zinc/00/62/92/932006292.db2.gz CJPLEQGDAAATEI-LJQANCHMSA-N 1 3 295.430 3.113 20 0 CGADHO c1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c[nH]1 ZINC000289218503 932006298 /nfs/dbraw/zinc/00/62/98/932006298.db2.gz CJPLEQGDAAATEI-LJQANCHMSA-N 1 3 295.430 3.113 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001462199342 937625024 /nfs/dbraw/zinc/62/50/24/937625024.db2.gz HLQPZDPHFNENJV-LRDDRELGSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1c(Cl)cccc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001462199342 937625026 /nfs/dbraw/zinc/62/50/26/937625026.db2.gz HLQPZDPHFNENJV-LRDDRELGSA-N 1 3 280.843 3.420 20 0 CGADHO C[C@H](CCN(C)C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001308233996 933076906 /nfs/dbraw/zinc/07/69/06/933076906.db2.gz MLQGAWJXABSJEC-LLVKDONJSA-N 1 3 264.344 3.002 20 0 CGADHO CN(C)CC[C@H]([NH2+]Cc1cccc2c1OCC2)C(C)(C)C ZINC001308264709 933084113 /nfs/dbraw/zinc/08/41/13/933084113.db2.gz UCNYWPBLEKTGBI-INIZCTEOSA-N 1 3 290.451 3.078 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)[C@H]2C1 ZINC001308985246 933222661 /nfs/dbraw/zinc/22/26/61/933222661.db2.gz YQKWLMBMUYYLNK-WJWMFLMHSA-N 1 3 276.468 3.275 20 0 CGADHO Cc1cnc2ccccc2c1N1CCC[C@H]([NH+](C)C)C1 ZINC001319130933 933830704 /nfs/dbraw/zinc/83/07/04/933830704.db2.gz SGQUNQQBYOYSLG-AWEZNQCLSA-N 1 3 269.392 3.074 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294236 933853977 /nfs/dbraw/zinc/85/39/77/933853977.db2.gz PPKINIWNRAJTTA-FSPWUOQZSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4c3cccc4F)CC[C@H]21 ZINC001319294236 933853985 /nfs/dbraw/zinc/85/39/85/933853985.db2.gz PPKINIWNRAJTTA-FSPWUOQZSA-N 1 3 288.410 3.229 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1cc2ccccc2[nH]1 ZINC001319814818 933936209 /nfs/dbraw/zinc/93/62/09/933936209.db2.gz YJYDDZGDBBFLNY-AWEZNQCLSA-N 1 3 271.408 3.304 20 0 CGADHO C[NH2+][C@@H](C)CCN[C@H](C)c1ccc(OC)c2ccccc21 ZINC001325745343 934926297 /nfs/dbraw/zinc/92/62/97/934926297.db2.gz XGGHADONCUIMJB-UONOGXRCSA-N 1 3 286.419 3.497 20 0 CGADHO Cc1ccccc1[C@H](NC[C@H]1CCC[NH2+]C1)C(C)C ZINC001333582312 935549359 /nfs/dbraw/zinc/54/93/59/935549359.db2.gz KNSLFWRUNDZBTQ-DOTOQJQBSA-N 1 3 260.425 3.281 20 0 CGADHO Cc1ccccc1[C@]1(F)CCN(CC2CC[NH+](C)CC2)C1 ZINC001474473941 937861841 /nfs/dbraw/zinc/86/18/41/937861841.db2.gz GIXDDVGMZUUQSS-SFHVURJKSA-N 1 3 290.426 3.207 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccncc1 ZINC001515203456 938005031 /nfs/dbraw/zinc/00/50/31/938005031.db2.gz CNCUTFLMHIJKJA-MRXNPFEDSA-N 1 3 281.403 3.182 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccncc1 ZINC001515203456 938005032 /nfs/dbraw/zinc/00/50/32/938005032.db2.gz CNCUTFLMHIJKJA-MRXNPFEDSA-N 1 3 281.403 3.182 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCc3ccsc32)C1 ZINC001549546925 938157773 /nfs/dbraw/zinc/15/77/73/938157773.db2.gz OAGQTRQGLRETEQ-JSGCOSHPSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCc3ccsc32)C1 ZINC001549546925 938157774 /nfs/dbraw/zinc/15/77/74/938157774.db2.gz OAGQTRQGLRETEQ-JSGCOSHPSA-N 1 3 264.438 3.057 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@]23CCC[C@@H]2OCC3)CC1 ZINC001550953127 938173057 /nfs/dbraw/zinc/17/30/57/938173057.db2.gz HWHPXGDWUIPPKV-ZWKOTPCHSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238471 938178359 /nfs/dbraw/zinc/17/83/59/938178359.db2.gz WAPGAOSKMCVXQO-QLOLRVAOSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC001553291535 938197946 /nfs/dbraw/zinc/19/79/46/938197946.db2.gz NHZUDGDSLHUORZ-XIRDDKMYSA-N 1 3 272.436 3.219 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC001561055270 938292162 /nfs/dbraw/zinc/29/21/62/938292162.db2.gz KVCNHGXPQNNXFL-HUUCEWRRSA-N 1 3 280.431 3.467 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)N[C@H](C)Cc1ccccc1F ZINC001561055270 938292164 /nfs/dbraw/zinc/29/21/64/938292164.db2.gz KVCNHGXPQNNXFL-HUUCEWRRSA-N 1 3 280.431 3.467 20 0 CGADHO c1cc2cccc(CN3CCC[C@@]4(CCC[NH2+]C4)C3)c2[nH]1 ZINC001222271522 960403701 /nfs/dbraw/zinc/40/37/01/960403701.db2.gz HKGSBVKMIFUFIF-GOSISDBHSA-N 1 3 283.419 3.134 20 0 CGADHO CC(C)[NH+]1CCC(N[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001257208515 960426424 /nfs/dbraw/zinc/42/64/24/960426424.db2.gz KKHZEDBVXIFINR-SJORKVTESA-N 1 3 276.399 3.144 20 0 CGADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](N)C(C)C ZINC001574979596 962343269 /nfs/dbraw/zinc/34/32/69/962343269.db2.gz JVYOWQWNPSYKQJ-UNJUUPHPSA-N 1 3 298.377 3.264 20 0 CGADHO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cccn2C2CC2)C1 ZINC001575115241 962345080 /nfs/dbraw/zinc/34/50/80/962345080.db2.gz CSGUGQIYQXYHTP-KRWDZBQOSA-N 1 3 275.440 3.020 20 0 CGADHO CC(C)(C)c1cnc(CNC2(C3CC[NH2+]CC3)CC2)s1 ZINC001575277193 962347340 /nfs/dbraw/zinc/34/73/40/962347340.db2.gz KHXTWOAVZXZLOK-UHFFFAOYSA-N 1 3 293.480 3.062 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCCN2)C12CCC2 ZINC001575248005 962355946 /nfs/dbraw/zinc/35/59/46/962355946.db2.gz SKMQGUJAENEINA-BZUAXINKSA-N 1 3 294.483 3.235 20 0 CGADHO CC(C)C[C@@H]1CCCN(Cc2cc(C(C)(C)[NH3+])no2)C1 ZINC001575550025 962389529 /nfs/dbraw/zinc/38/95/29/962389529.db2.gz OFHHHLGGTUHMCI-ZDUSSCGKSA-N 1 3 279.428 3.127 20 0 CGADHO C[C@H](CCN)[NH2+]CC(c1ccccc1)c1ccccc1 ZINC001575962117 962425174 /nfs/dbraw/zinc/42/51/74/962425174.db2.gz MDBZISCOYCMVPM-OAHLLOKOSA-N 1 3 268.404 3.145 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)Oc1ccc(Cl)cc1 ZINC001576243929 962444390 /nfs/dbraw/zinc/44/43/90/962444390.db2.gz HCSUVBGIGLSEPG-HEHGZKQESA-N 1 3 296.842 3.228 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)Oc1ccc(Cl)cc1)[C@H]1CCCCN1 ZINC001576243932 962452555 /nfs/dbraw/zinc/45/25/55/962452555.db2.gz HCSUVBGIGLSEPG-WOSRLPQWSA-N 1 3 296.842 3.228 20 0 CGADHO CCC(CC)[C@@H]1C[C@H]([NH2+]CC(CC)(CC)CN)CCO1 ZINC001577068121 962509139 /nfs/dbraw/zinc/50/91/39/962509139.db2.gz BAHOLKQUFYUGNK-CVEARBPZSA-N 1 3 284.488 3.325 20 0 CGADHO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC001577251061 962516234 /nfs/dbraw/zinc/51/62/34/962516234.db2.gz VFQNRAMLJXQVPC-SMDDNHRTSA-N 1 3 264.438 3.062 20 0 CGADHO CCNc1ccccc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC001577901966 962566581 /nfs/dbraw/zinc/56/65/81/962566581.db2.gz FIZIWKXTNOZTTP-AWEZNQCLSA-N 1 3 283.419 3.428 20 0 CGADHO CSCc1ccc(CNCc2ccccc2C[NH3+])cc1 ZINC001579382455 962616478 /nfs/dbraw/zinc/61/64/78/962616478.db2.gz CTJAWSSVTYYOAO-UHFFFAOYSA-N 1 3 286.444 3.298 20 0 CGADHO Cc1ccc(C2(C[NH2+]CC(C)(C)CN)CCC2)cc1C ZINC001579677567 962655874 /nfs/dbraw/zinc/65/58/74/962655874.db2.gz HCDGRZTXWWEEMY-UHFFFAOYSA-N 1 3 274.452 3.300 20 0 CGADHO Cc1ccc2sc(CN3CCC[C@H](CC[NH3+])C3)nc2c1 ZINC001579743581 962660822 /nfs/dbraw/zinc/66/08/22/962660822.db2.gz ZBXKFFSGKJOXHG-CYBMUJFWSA-N 1 3 289.448 3.166 20 0 CGADHO Cc1ccccc1[C@@H]1CCCN1CCC[NH2+]C1CC1 ZINC001579795439 962669899 /nfs/dbraw/zinc/66/98/99/962669899.db2.gz SQKHALUQGPDXQP-KRWDZBQOSA-N 1 3 258.409 3.274 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCNC1CC1 ZINC001579795439 962669908 /nfs/dbraw/zinc/66/99/08/962669908.db2.gz SQKHALUQGPDXQP-KRWDZBQOSA-N 1 3 258.409 3.274 20 0 CGADHO Cc1ccccc1[C@@H]1CCC[N@H+]1CCCNC1CC1 ZINC001579795439 962669917 /nfs/dbraw/zinc/66/99/17/962669917.db2.gz SQKHALUQGPDXQP-KRWDZBQOSA-N 1 3 258.409 3.274 20 0 CGADHO c1cc2c(o1)CCC[C@@H]2NCc1cc2c(s1)CC[NH2+]C2 ZINC001580889555 962740342 /nfs/dbraw/zinc/74/03/42/962740342.db2.gz CKWJFNNZKDEIRN-AWEZNQCLSA-N 1 3 288.416 3.154 20 0 CGADHO C[C@H](c1cccs1)[N@H+](C)CC[C@@H]1CCCN1C ZINC000124949117 187162625 /nfs/dbraw/zinc/16/26/25/187162625.db2.gz FXYIBUKMTAJNAC-OLZOCXBDSA-N 1 3 252.427 3.225 20 0 CGADHO C[C@H](c1cccs1)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124949117 187162626 /nfs/dbraw/zinc/16/26/26/187162626.db2.gz FXYIBUKMTAJNAC-OLZOCXBDSA-N 1 3 252.427 3.225 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000651680698 398268393 /nfs/dbraw/zinc/26/83/93/398268393.db2.gz OHQUEWKWWUYTJS-LVQVYYBASA-N 1 3 250.430 3.172 20 0 CGADHO C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC[C@H](C)N)cc1 ZINC000622045630 349623381 /nfs/dbraw/zinc/62/33/81/349623381.db2.gz HQNSBARSSZAJPV-XETQRACLSA-N 1 3 290.451 3.290 20 0 CGADHO C/C=C\COc1ccc(CC[C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000622045630 349623384 /nfs/dbraw/zinc/62/33/84/349623384.db2.gz HQNSBARSSZAJPV-XETQRACLSA-N 1 3 290.451 3.290 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337987314 214345906 /nfs/dbraw/zinc/34/59/06/214345906.db2.gz JTDGITASXAZVIZ-GJZGRUSLSA-N 1 3 258.425 3.226 20 0 CGADHO CC[C@@H](OCCNC1CC[NH+](CC)CC1)c1ccccc1 ZINC000651908574 398304753 /nfs/dbraw/zinc/30/47/53/398304753.db2.gz IORLFRXVBKDSKK-GOSISDBHSA-N 1 3 290.451 3.228 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651911499 398305974 /nfs/dbraw/zinc/30/59/74/398305974.db2.gz BUUJJNVUWCGIGB-ZQDZILKHSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911499 398305975 /nfs/dbraw/zinc/30/59/75/398305975.db2.gz BUUJJNVUWCGIGB-ZQDZILKHSA-N 1 3 250.430 3.028 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000651959314 398312637 /nfs/dbraw/zinc/31/26/37/398312637.db2.gz HXBROCUOWRCDKO-UHFFFAOYSA-N 1 3 288.435 3.049 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000423477350 529453856 /nfs/dbraw/zinc/45/38/56/529453856.db2.gz TVAOZWFWNGKCBF-BBRMVZONSA-N 1 3 260.381 3.457 20 0 CGADHO CC[C@H](N)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423476233 529454121 /nfs/dbraw/zinc/45/41/21/529454121.db2.gz SEVAFNPYRGSZPY-ZWKOTPCHSA-N 1 3 268.404 3.297 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423478461 529569029 /nfs/dbraw/zinc/56/90/29/529569029.db2.gz UPPDCKVPKIVTEL-IEBWSBKVSA-N 1 3 298.430 3.306 20 0 CGADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000449103115 529596072 /nfs/dbraw/zinc/59/60/72/529596072.db2.gz OPOJUVMXSQWYDO-NUJGCVRESA-N 1 3 296.499 3.434 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)[C@@H]1C[C@H]1C ZINC000414109466 529613599 /nfs/dbraw/zinc/61/35/99/529613599.db2.gz HHNMYGJKCLLKCA-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)ccn1 ZINC000623357989 349788201 /nfs/dbraw/zinc/78/82/01/349788201.db2.gz KSKUTBVPODIQLP-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)ccn1 ZINC000623357989 349788204 /nfs/dbraw/zinc/78/82/04/349788204.db2.gz KSKUTBVPODIQLP-INIZCTEOSA-N 1 3 275.440 3.134 20 0 CGADHO Cc1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccn1 ZINC000623358621 349788506 /nfs/dbraw/zinc/78/85/06/349788506.db2.gz JGZSWDAZAFZJMK-HZPDHXFCSA-N 1 3 289.467 3.238 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000423380763 529659852 /nfs/dbraw/zinc/65/98/52/529659852.db2.gz NXPNTHNBUSHWDN-KYOSRNDESA-N 1 3 298.377 3.469 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC1=CCCCC1 ZINC000450593644 282225553 /nfs/dbraw/zinc/22/55/53/282225553.db2.gz BPKHCJKAQJSNMD-SQNIBIBYSA-N 1 3 292.467 3.060 20 0 CGADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CCC(C)CC1 ZINC000126593092 187250368 /nfs/dbraw/zinc/25/03/68/187250368.db2.gz XKLNBCQTONYTJT-MRXNPFEDSA-N 1 3 290.451 3.035 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623433099 349808871 /nfs/dbraw/zinc/80/88/71/349808871.db2.gz ZXPJPOKCAQPZQB-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623433099 349808875 /nfs/dbraw/zinc/80/88/75/349808875.db2.gz ZXPJPOKCAQPZQB-CVEARBPZSA-N 1 3 290.451 3.225 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000480236060 534945524 /nfs/dbraw/zinc/94/55/24/534945524.db2.gz YNWITRCBWYYMKJ-STQMWFEESA-N 1 3 280.378 3.429 20 0 CGADHO CCc1cccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623657637 349859606 /nfs/dbraw/zinc/85/96/06/349859606.db2.gz VUHKIDJAFOCXRF-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656175 349857069 /nfs/dbraw/zinc/85/70/69/349857069.db2.gz OOCHGWCVXBVMOQ-JCVNQNCUSA-N 1 3 288.435 3.030 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000076002668 345530496 /nfs/dbraw/zinc/53/04/96/345530496.db2.gz OODZFGRTKNKQRH-QGZVFWFLSA-N 1 3 274.452 3.467 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000076002668 345530497 /nfs/dbraw/zinc/53/04/97/345530497.db2.gz OODZFGRTKNKQRH-QGZVFWFLSA-N 1 3 274.452 3.467 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000079651895 345650277 /nfs/dbraw/zinc/65/02/77/345650277.db2.gz PMPJHPDSDQAMIP-AWEZNQCLSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000089609076 345771688 /nfs/dbraw/zinc/77/16/88/345771688.db2.gz FCNYOUWMOYZOPY-OAGGEKHMSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)CN1CCCC1 ZINC000163422304 232257970 /nfs/dbraw/zinc/25/79/70/232257970.db2.gz YWLTXXZOLHCCJH-QWHCGFSZSA-N 1 3 280.378 3.429 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094827300 345899363 /nfs/dbraw/zinc/89/93/63/345899363.db2.gz OQNXZNHOUASQTL-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000097814155 345908690 /nfs/dbraw/zinc/90/86/90/345908690.db2.gz AKOAKUSNXLBGSU-OKILXGFUSA-N 1 3 258.409 3.095 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000097814155 345908692 /nfs/dbraw/zinc/90/86/92/345908692.db2.gz AKOAKUSNXLBGSU-OKILXGFUSA-N 1 3 258.409 3.095 20 0 CGADHO COC[C@@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000174087338 232294736 /nfs/dbraw/zinc/29/47/36/232294736.db2.gz RSOWGUDDHBBDRI-MRXNPFEDSA-N 1 3 290.451 3.187 20 0 CGADHO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243261 346090134 /nfs/dbraw/zinc/09/01/34/346090134.db2.gz QLVOKEGJGIFZMC-GUYCJALGSA-N 1 3 258.409 3.095 20 0 CGADHO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000136243261 346090137 /nfs/dbraw/zinc/09/01/37/346090137.db2.gz QLVOKEGJGIFZMC-GUYCJALGSA-N 1 3 258.409 3.095 20 0 CGADHO CCCOc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252861817 346392623 /nfs/dbraw/zinc/39/26/23/346392623.db2.gz NQFDAPCOAMEEMC-RYQLBKOJSA-N 1 3 288.435 3.035 20 0 CGADHO Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c(Cl)c1 ZINC000300248488 346436622 /nfs/dbraw/zinc/43/66/22/346436622.db2.gz POOJGKAPPRFYDP-OCCSQVGLSA-N 1 3 266.816 3.221 20 0 CGADHO CC/C=C\CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000342202640 346504538 /nfs/dbraw/zinc/50/45/38/346504538.db2.gz NRRYHTGSLDBEFO-QGZUEGPWSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C\CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000342202640 346504540 /nfs/dbraw/zinc/50/45/40/346504540.db2.gz NRRYHTGSLDBEFO-QGZUEGPWSA-N 1 3 250.430 3.151 20 0 CGADHO CC/C=C\CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000342202640 346504542 /nfs/dbraw/zinc/50/45/42/346504542.db2.gz NRRYHTGSLDBEFO-QGZUEGPWSA-N 1 3 250.430 3.151 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)C(F)(F)F ZINC000584714170 346709694 /nfs/dbraw/zinc/70/96/94/346709694.db2.gz ADYBNJLCOYFMAO-RYUDHWBXSA-N 1 3 280.378 3.475 20 0 CGADHO CCC1(C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCOCC1 ZINC000494598740 282506465 /nfs/dbraw/zinc/50/64/65/282506465.db2.gz RKHKXGLMASWMLA-UHFFFAOYSA-N 1 3 282.472 3.092 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000589636211 346803101 /nfs/dbraw/zinc/80/31/01/346803101.db2.gz CZGCUFWOVMBIMN-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO C[C@H](CSCCF)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000595008183 347255037 /nfs/dbraw/zinc/25/50/37/347255037.db2.gz BQZZJWYASAGWLE-RBSFLKMASA-N 1 3 290.492 3.035 20 0 CGADHO C[C@H](CSCCF)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000595008183 347255039 /nfs/dbraw/zinc/25/50/39/347255039.db2.gz BQZZJWYASAGWLE-RBSFLKMASA-N 1 3 290.492 3.035 20 0 CGADHO CC[N@H+](CCCSC)Cc1ccc(CN(C)C)cc1 ZINC000599659220 347762414 /nfs/dbraw/zinc/76/24/14/347762414.db2.gz GXUUKZIYYWHSSO-UHFFFAOYSA-N 1 3 280.481 3.323 20 0 CGADHO CC[N@@H+](CCCSC)Cc1ccc(CN(C)C)cc1 ZINC000599659220 347762415 /nfs/dbraw/zinc/76/24/15/347762415.db2.gz GXUUKZIYYWHSSO-UHFFFAOYSA-N 1 3 280.481 3.323 20 0 CGADHO CC(C)C[NH+]1CCC(Nc2ccnc3ccccc32)CC1 ZINC000599451628 347746281 /nfs/dbraw/zinc/74/62/81/347746281.db2.gz IVBGBSPHGYNVCS-UHFFFAOYSA-N 1 3 283.419 3.189 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000600192099 347791675 /nfs/dbraw/zinc/79/16/75/347791675.db2.gz SSMROSVVXNBANI-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO C[N@@H+]1CCCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000600192099 347791677 /nfs/dbraw/zinc/79/16/77/347791677.db2.gz SSMROSVVXNBANI-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO C[N@H+]1CCCC[C@@H](CNCCSCc2ccccc2)C1 ZINC000600192099 347791678 /nfs/dbraw/zinc/79/16/78/347791678.db2.gz SSMROSVVXNBANI-KRWDZBQOSA-N 1 3 292.492 3.241 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624120057 349976588 /nfs/dbraw/zinc/97/65/88/349976588.db2.gz QOSUJYPHSOQHTB-HUUCEWRRSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120654 349976843 /nfs/dbraw/zinc/97/68/43/349976843.db2.gz DMTSRJYUVCJJAN-NVXWUHKLSA-N 1 3 292.442 3.468 20 0 CGADHO CSC1(CNCc2ccc(C)cc2F)CC[NH+](C)CC1 ZINC000601124200 347872033 /nfs/dbraw/zinc/87/20/33/347872033.db2.gz BFCNQBGMKZHEPO-UHFFFAOYSA-N 1 3 296.455 3.051 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(OC)c1 ZINC000624120768 349978781 /nfs/dbraw/zinc/97/87/81/349978781.db2.gz GTANMWCTAKSQNS-MAUKXSAKSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)COC2 ZINC000624121430 349978325 /nfs/dbraw/zinc/97/83/25/349978325.db2.gz WHIHHVGYWJONSB-GJZGRUSLSA-N 1 3 288.435 3.099 20 0 CGADHO C[C@H]1CN(CCCC[NH2+]C2CCC(C)(C)CC2)C[C@H](C)O1 ZINC000237667021 290843779 /nfs/dbraw/zinc/84/37/79/290843779.db2.gz ZCWZYKLVZYTTEM-HOTGVXAUSA-N 1 3 296.499 3.434 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)CCCCC1 ZINC000624123403 349982967 /nfs/dbraw/zinc/98/29/67/349982967.db2.gz LESDYAQXJDNZLA-JKSUJKDBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cc2cnccc2o1 ZINC000624123229 349982761 /nfs/dbraw/zinc/98/27/61/349982761.db2.gz IGYODDDORIPUGZ-ZIAGYGMSSA-N 1 3 287.407 3.210 20 0 CGADHO C/C=C\CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624198753 349999668 /nfs/dbraw/zinc/99/96/68/349999668.db2.gz XAUYOBMTRPPEFA-OSHRSESXSA-N 1 3 270.420 3.348 20 0 CGADHO C/C=C\CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624198753 349999670 /nfs/dbraw/zinc/99/96/70/349999670.db2.gz XAUYOBMTRPPEFA-OSHRSESXSA-N 1 3 270.420 3.348 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000358054977 233048248 /nfs/dbraw/zinc/04/82/48/233048248.db2.gz BIJOWRVEUMPBEW-QWQRMKEZSA-N 1 3 283.419 3.053 20 0 CGADHO COC1(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000359732419 233368343 /nfs/dbraw/zinc/36/83/43/233368343.db2.gz DIQYGYOCWGZEGX-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO COC1(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)CCCCC1 ZINC000359732419 233368346 /nfs/dbraw/zinc/36/83/46/233368346.db2.gz DIQYGYOCWGZEGX-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO COC1(CNC[C@@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000359732419 233368349 /nfs/dbraw/zinc/36/83/49/233368349.db2.gz DIQYGYOCWGZEGX-INIZCTEOSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@]1(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCCS1 ZINC000628184551 350428674 /nfs/dbraw/zinc/42/86/74/350428674.db2.gz PTRZPLUHRZJXDX-JKSUJKDBSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@]1(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCCS1 ZINC000628184551 350428677 /nfs/dbraw/zinc/42/86/77/350428677.db2.gz PTRZPLUHRZJXDX-JKSUJKDBSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@]1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184551 350428678 /nfs/dbraw/zinc/42/86/78/350428678.db2.gz PTRZPLUHRZJXDX-JKSUJKDBSA-N 1 3 282.497 3.080 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186736 350430164 /nfs/dbraw/zinc/43/01/64/350430164.db2.gz UYGDVODOVVTSAD-IAGOWNOFSA-N 1 3 274.452 3.372 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186736 350430166 /nfs/dbraw/zinc/43/01/66/350430166.db2.gz UYGDVODOVVTSAD-IAGOWNOFSA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186736 350430169 /nfs/dbraw/zinc/43/01/69/350430169.db2.gz UYGDVODOVVTSAD-IAGOWNOFSA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186736 350430171 /nfs/dbraw/zinc/43/01/71/350430171.db2.gz UYGDVODOVVTSAD-IAGOWNOFSA-N 1 3 274.452 3.372 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000628425516 350537136 /nfs/dbraw/zinc/53/71/36/350537136.db2.gz NVJZFSFJUOMDLL-HNNXBMFYSA-N 1 3 264.457 3.421 20 0 CGADHO [NH3+]C[C@@H]1CN(CC2CCCCCC2)CC[C@H]1C(F)(F)F ZINC000629559343 350714172 /nfs/dbraw/zinc/71/41/72/350714172.db2.gz AVPGUBCHVVYPMQ-ZIAGYGMSSA-N 1 3 292.389 3.416 20 0 CGADHO Cc1ccc2ncc(CN3CCC([C@@H](C)[NH3+])CC3)cc2c1 ZINC000629511876 350698788 /nfs/dbraw/zinc/69/87/88/350698788.db2.gz NBXCKPIOGODZDW-CQSZACIVSA-N 1 3 283.419 3.102 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000629514792 350699434 /nfs/dbraw/zinc/69/94/34/350699434.db2.gz OWADREFJXWVFDD-YVSFHVDLSA-N 1 3 272.436 3.286 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629514792 350699436 /nfs/dbraw/zinc/69/94/36/350699436.db2.gz OWADREFJXWVFDD-YVSFHVDLSA-N 1 3 272.436 3.286 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC1(C)C)CN1CCCC1 ZINC000477945488 535152402 /nfs/dbraw/zinc/15/24/02/535152402.db2.gz OUCBXBKRGFPWEI-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CCc1ccc(C2CC[NH+](CC(C)(C)N)CC2)cc1 ZINC000629668065 350733343 /nfs/dbraw/zinc/73/33/43/350733343.db2.gz XRSPFSBIWNFEDM-UHFFFAOYSA-N 1 3 260.425 3.166 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000336506050 213381982 /nfs/dbraw/zinc/38/19/82/213381982.db2.gz QIRIMDYAUPMMNQ-GFCCVEGCSA-N 1 3 280.362 3.101 20 0 CGADHO C[C@@H](Cc1ccccc1F)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733789 351579906 /nfs/dbraw/zinc/57/99/06/351579906.db2.gz OCQDEDLHEGYUGP-DZGCQCFKSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733789 351579910 /nfs/dbraw/zinc/57/99/10/351579910.db2.gz OCQDEDLHEGYUGP-DZGCQCFKSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000291475163 198031683 /nfs/dbraw/zinc/03/16/83/198031683.db2.gz PTPDXUARZCRLAE-BBRMVZONSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCc2cccc(Cl)c2)CC[N@H+]1C ZINC000291475163 198031684 /nfs/dbraw/zinc/03/16/84/198031684.db2.gz PTPDXUARZCRLAE-BBRMVZONSA-N 1 3 280.843 3.297 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CCC[C@@H]1CCF)Cc1ccccc1 ZINC000635004656 351622789 /nfs/dbraw/zinc/62/27/89/351622789.db2.gz FWLUAOVQXSYFQJ-ZACQAIPSSA-N 1 3 278.415 3.064 20 0 CGADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635005320 351623667 /nfs/dbraw/zinc/62/36/67/351623667.db2.gz JCLLIJKSSURBDB-NVXWUHKLSA-N 1 3 289.467 3.161 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000635012470 351630557 /nfs/dbraw/zinc/63/05/57/351630557.db2.gz UDQCARYYPNJMMZ-KGLIPLIRSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1[C@@H]([NH2+]CC2=CCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000364115349 234021179 /nfs/dbraw/zinc/02/11/79/234021179.db2.gz YTASSFIRSYVLLF-WBAXXEDZSA-N 1 3 270.420 3.030 20 0 CGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158765082 188393095 /nfs/dbraw/zinc/39/30/95/188393095.db2.gz RHQDHZSOXILJPM-DJIMGWMZSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158765082 188393096 /nfs/dbraw/zinc/39/30/96/188393096.db2.gz RHQDHZSOXILJPM-DJIMGWMZSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158765082 188393098 /nfs/dbraw/zinc/39/30/98/188393098.db2.gz RHQDHZSOXILJPM-DJIMGWMZSA-N 1 3 258.409 3.164 20 0 CGADHO C[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158765082 188393099 /nfs/dbraw/zinc/39/30/99/188393099.db2.gz RHQDHZSOXILJPM-DJIMGWMZSA-N 1 3 258.409 3.164 20 0 CGADHO CN1CC=C(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000271873131 191383054 /nfs/dbraw/zinc/38/30/54/191383054.db2.gz YLMDTFFSETUBLK-UHFFFAOYSA-N 1 3 266.388 3.191 20 0 CGADHO COC1([C@H](C)[NH2+]C2CCN(C3CCCCC3)CC2)CCC1 ZINC000414313223 235386039 /nfs/dbraw/zinc/38/60/39/235386039.db2.gz XQOOVIKAZWGDDU-HNNXBMFYSA-N 1 3 294.483 3.331 20 0 CGADHO COC1([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000414313223 235386041 /nfs/dbraw/zinc/38/60/41/235386041.db2.gz XQOOVIKAZWGDDU-HNNXBMFYSA-N 1 3 294.483 3.331 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423226930 236002077 /nfs/dbraw/zinc/00/20/77/236002077.db2.gz SVGDZDUWOGFICV-WDEREUQCSA-N 1 3 288.407 3.432 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)N)c1cccc(-c2ccncc2)c1 ZINC000423286699 236025235 /nfs/dbraw/zinc/02/52/35/236025235.db2.gz IGRDMIKJDCBXCU-ZDUSSCGKSA-N 1 3 269.392 3.137 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000423294708 236027204 /nfs/dbraw/zinc/02/72/04/236027204.db2.gz UYZGBEMQNOEUSE-CHWSQXEVSA-N 1 3 298.386 3.286 20 0 CGADHO Cc1cncc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000423292570 236027557 /nfs/dbraw/zinc/02/75/57/236027557.db2.gz NIUIRMKMEOJTST-KBPBESRZSA-N 1 3 269.392 3.261 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000423268064 236015730 /nfs/dbraw/zinc/01/57/30/236015730.db2.gz DKVZYPDQLLGOSG-SCRDCRAPSA-N 1 3 252.427 3.225 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCCNC1 ZINC000423351359 236046973 /nfs/dbraw/zinc/04/69/73/236046973.db2.gz YXUUSSBRVIKIQC-SQNIBIBYSA-N 1 3 272.436 3.302 20 0 CGADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1cccc(F)c1F ZINC000423322356 236038404 /nfs/dbraw/zinc/03/84/04/236038404.db2.gz GYUULEBGGYIMIH-NSHDSACASA-N 1 3 268.351 3.005 20 0 CGADHO COc1cccc2cc([C@H](C)NCC3=CC[NH2+]CC3)oc21 ZINC000423337049 236043639 /nfs/dbraw/zinc/04/36/39/236043639.db2.gz HDXRSACJAXTUOC-LBPRGKRZSA-N 1 3 286.375 3.012 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000423382663 236058057 /nfs/dbraw/zinc/05/80/57/236058057.db2.gz DRPCSEJUUTVUFD-YZVOILCLSA-N 1 3 295.430 3.397 20 0 CGADHO Cc1cc([C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C2CC2)ccc1F ZINC000423364577 236051886 /nfs/dbraw/zinc/05/18/86/236051886.db2.gz AWAGSHSTSFKNRR-BFYDXBDKSA-N 1 3 276.399 3.445 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C2CC2)cc1 ZINC000423373774 236054484 /nfs/dbraw/zinc/05/44/84/236054484.db2.gz JNHLPCAQECPYAA-JLSDUUJJSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)cc1C ZINC000423379288 236056419 /nfs/dbraw/zinc/05/64/19/236056419.db2.gz MXSWCDNLWHJTTL-PMPSAXMXSA-N 1 3 260.425 3.403 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423383455 236057829 /nfs/dbraw/zinc/05/78/29/236057829.db2.gz FFGNDDBUVSBWHK-UDVXPWBQSA-N 1 3 276.399 3.037 20 0 CGADHO Cc1cc(C)c([C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)cc1C ZINC000423408925 236066950 /nfs/dbraw/zinc/06/69/50/236066950.db2.gz YECZPOCOTAEOHE-ZOBUZTSGSA-N 1 3 260.425 3.260 20 0 CGADHO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1C ZINC000423408925 236066953 /nfs/dbraw/zinc/06/69/53/236066953.db2.gz YECZPOCOTAEOHE-ZOBUZTSGSA-N 1 3 260.425 3.260 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(F)c1F ZINC000423440869 236071107 /nfs/dbraw/zinc/07/11/07/236071107.db2.gz PALSDHWSWFRPOX-RIEGTJTDSA-N 1 3 280.362 3.004 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCC2)o1 ZINC000423436920 236071210 /nfs/dbraw/zinc/07/12/10/236071210.db2.gz MAYDQGINLYXUHT-LZLYRXPVSA-N 1 3 288.435 3.407 20 0 CGADHO COc1ccc([C@H](C)NCCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000423477173 236080989 /nfs/dbraw/zinc/08/09/89/236080989.db2.gz JRPGZDVWCYXLPF-STQMWFEESA-N 1 3 280.387 3.017 20 0 CGADHO Cc1cc([C@H](C)NCCC[C@H]2CCC[NH2+]2)oc1C ZINC000423479625 236082153 /nfs/dbraw/zinc/08/21/53/236082153.db2.gz MHFNICYKIYUUKY-JSGCOSHPSA-N 1 3 250.386 3.079 20 0 CGADHO CSc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1F ZINC000425938691 236274610 /nfs/dbraw/zinc/27/46/10/236274610.db2.gz RBLPCWPGHUBYSJ-NWDGAFQWSA-N 1 3 284.444 3.396 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1)CN(C)C ZINC000425945496 236275323 /nfs/dbraw/zinc/27/53/23/236275323.db2.gz RCVOXWHCFDXESS-BPQIPLTHSA-N 1 3 274.452 3.284 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422847305 283479319 /nfs/dbraw/zinc/47/93/19/283479319.db2.gz IASZVNQHKROYCF-VOAKCMCISA-N 1 3 278.362 3.072 20 0 CGADHO C[C@H](NCC1CC[NH2+]CC1)c1c(F)cccc1Cl ZINC000297470355 200202471 /nfs/dbraw/zinc/20/24/71/200202471.db2.gz RKOIIZPOMUSRJG-JTQLQIEISA-N 1 3 270.779 3.129 20 0 CGADHO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCCN(CC[C@H](C)F)CC1 ZINC000351729057 296009552 /nfs/dbraw/zinc/00/95/52/296009552.db2.gz CFGFJYGINBKDMA-QLFBSQMISA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(CC[C@H](C)F)CC1 ZINC000351729057 296009556 /nfs/dbraw/zinc/00/95/56/296009556.db2.gz CFGFJYGINBKDMA-QLFBSQMISA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H](F)CCN(C)[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000351729057 296009558 /nfs/dbraw/zinc/00/95/58/296009558.db2.gz CFGFJYGINBKDMA-QLFBSQMISA-N 1 3 276.415 3.269 20 0 CGADHO C[C@@H](F)CCN(C)[C@@H]1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000351729057 296009560 /nfs/dbraw/zinc/00/95/60/296009560.db2.gz CFGFJYGINBKDMA-QLFBSQMISA-N 1 3 276.415 3.269 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000177243872 189038654 /nfs/dbraw/zinc/03/86/54/189038654.db2.gz GRYRPWCPJDBRMR-GJZGRUSLSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc2ccccc2c1 ZINC000342131797 216231120 /nfs/dbraw/zinc/23/11/20/216231120.db2.gz MHUACQNJAAJHGO-CYBMUJFWSA-N 1 3 254.377 3.372 20 0 CGADHO CC/C=C/CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342251819 216279271 /nfs/dbraw/zinc/27/92/71/216279271.db2.gz RGLUCESEJSEPGG-APHBUQMISA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C/CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342251819 216279274 /nfs/dbraw/zinc/27/92/74/216279274.db2.gz RGLUCESEJSEPGG-APHBUQMISA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C/CC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000342251819 216279277 /nfs/dbraw/zinc/27/92/77/216279277.db2.gz RGLUCESEJSEPGG-APHBUQMISA-N 1 3 250.430 3.006 20 0 CGADHO CC/C=C/CC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000342251819 216279279 /nfs/dbraw/zinc/27/92/79/216279279.db2.gz RGLUCESEJSEPGG-APHBUQMISA-N 1 3 250.430 3.006 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370454 189357269 /nfs/dbraw/zinc/35/72/69/189357269.db2.gz PPVZCJVDVDQFKZ-DOTOQJQBSA-N 1 3 292.442 3.420 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370454 189357270 /nfs/dbraw/zinc/35/72/70/189357270.db2.gz PPVZCJVDVDQFKZ-DOTOQJQBSA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@H+](C)C[C@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370454 189357271 /nfs/dbraw/zinc/35/72/71/189357271.db2.gz PPVZCJVDVDQFKZ-DOTOQJQBSA-N 1 3 292.442 3.420 20 0 CGADHO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)CCc2cccc(F)c2)C1 ZINC000183370454 189357272 /nfs/dbraw/zinc/35/72/72/189357272.db2.gz PPVZCJVDVDQFKZ-DOTOQJQBSA-N 1 3 292.442 3.420 20 0 CGADHO C[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H](C)CO ZINC000449165738 239217017 /nfs/dbraw/zinc/21/70/17/239217017.db2.gz XLJUXCHFERMCQQ-HUUCEWRRSA-N 1 3 298.515 3.272 20 0 CGADHO COc1cccc([C@@H](C)[N@H+](C)CCCN2CCCC2)c1 ZINC000337284299 376190749 /nfs/dbraw/zinc/19/07/49/376190749.db2.gz YTNWZYSEASTRPW-OAHLLOKOSA-N 1 3 276.424 3.174 20 0 CGADHO COc1cccc([C@@H](C)[N@@H+](C)CCCN2CCCC2)c1 ZINC000337284299 376190753 /nfs/dbraw/zinc/19/07/53/376190753.db2.gz YTNWZYSEASTRPW-OAHLLOKOSA-N 1 3 276.424 3.174 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450826107 240103882 /nfs/dbraw/zinc/10/38/82/240103882.db2.gz HFGLAXUHBFHPIN-MQVJKMGUSA-N 1 3 295.430 3.311 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450826107 240103887 /nfs/dbraw/zinc/10/38/87/240103887.db2.gz HFGLAXUHBFHPIN-MQVJKMGUSA-N 1 3 295.430 3.311 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)C1(C)C ZINC000120703427 370792819 /nfs/dbraw/zinc/79/28/19/370792819.db2.gz OASBRQVSANIFIM-IRXDYDNUSA-N 1 3 290.451 3.041 20 0 CGADHO CN1CC=C(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275496437 193059224 /nfs/dbraw/zinc/05/92/24/193059224.db2.gz LRDMMPYRYSOHEW-QZTJIDSGSA-N 1 3 270.420 3.174 20 0 CGADHO Cc1oc2ccccc2c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000121269890 370846879 /nfs/dbraw/zinc/84/68/79/370846879.db2.gz RHOKMNVOBGPUJG-CQSZACIVSA-N 1 3 284.403 3.315 20 0 CGADHO C[C@@H](NC1CCC([NH3+])CC1)c1ccccc1Br ZINC000051693176 296114109 /nfs/dbraw/zinc/11/41/09/296114109.db2.gz ISSMQWAAQMIPDA-VOMCLLRMSA-N 1 3 297.240 3.370 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cncc(F)c1 ZINC000247240485 296121811 /nfs/dbraw/zinc/12/18/11/296121811.db2.gz YXMGZVKKHYIWSF-HUUCEWRRSA-N 1 3 293.430 3.383 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cncc(F)c1 ZINC000247240485 296121813 /nfs/dbraw/zinc/12/18/13/296121813.db2.gz YXMGZVKKHYIWSF-HUUCEWRRSA-N 1 3 293.430 3.383 20 0 CGADHO CC(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483202470 243266178 /nfs/dbraw/zinc/26/61/78/243266178.db2.gz PKDQWJINWKWDPV-CALCHBBNSA-N 1 3 296.499 3.244 20 0 CGADHO C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1CC1(C)C ZINC000486973714 243391168 /nfs/dbraw/zinc/39/11/68/243391168.db2.gz WASGEZSENNXZCQ-RHSMWYFYSA-N 1 3 290.451 3.151 20 0 CGADHO C[N@H+](CCCNCc1ccccc1)Cc1ccccc1 ZINC000019913274 368782641 /nfs/dbraw/zinc/78/26/41/368782641.db2.gz OCYIRMXCFSNFDC-UHFFFAOYSA-N 1 3 268.404 3.298 20 0 CGADHO C[N@@H+](CCCNCc1ccccc1)Cc1ccccc1 ZINC000019913274 368782646 /nfs/dbraw/zinc/78/26/46/368782646.db2.gz OCYIRMXCFSNFDC-UHFFFAOYSA-N 1 3 268.404 3.298 20 0 CGADHO [NH3+]C[C@H]1CCCN(C2c3ccccc3-c3ccccc32)C1 ZINC000044527607 369264105 /nfs/dbraw/zinc/26/41/05/369264105.db2.gz MHZDRWYYYSVKAZ-CQSZACIVSA-N 1 3 278.399 3.427 20 0 CGADHO NC[C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000044527607 369264110 /nfs/dbraw/zinc/26/41/10/369264110.db2.gz MHZDRWYYYSVKAZ-CQSZACIVSA-N 1 3 278.399 3.427 20 0 CGADHO NC[C@H]1CCC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000044527607 369264115 /nfs/dbraw/zinc/26/41/15/369264115.db2.gz MHZDRWYYYSVKAZ-CQSZACIVSA-N 1 3 278.399 3.427 20 0 CGADHO Clc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000226347683 189773647 /nfs/dbraw/zinc/77/36/47/189773647.db2.gz LMYOCCMCCXFJNI-MJBXVCDLSA-N 1 3 298.883 3.454 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000053659023 369488078 /nfs/dbraw/zinc/48/80/78/369488078.db2.gz TVZHNNPZSGAOEN-UHFFFAOYSA-N 1 3 283.419 3.056 20 0 CGADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OC(C)C)[C@H](C)C1 ZINC000128981737 370968504 /nfs/dbraw/zinc/96/85/04/370968504.db2.gz JWCRSVSDEXIGNM-NVXWUHKLSA-N 1 3 290.451 3.294 20 0 CGADHO C[C@H](c1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198150 369643012 /nfs/dbraw/zinc/64/30/12/369643012.db2.gz MNAXTIVILWEYGT-CXAGYDPISA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070171456 369786060 /nfs/dbraw/zinc/78/60/60/369786060.db2.gz ZJQMBUVCHMEUPS-IVMMDQJWSA-N 1 3 264.388 3.336 20 0 CGADHO C[NH2+]CCC1CCN([C@H](C)c2ccccc2F)CC1 ZINC000070188813 369787642 /nfs/dbraw/zinc/78/76/42/369787642.db2.gz CKLOTSJUNDNELG-CYBMUJFWSA-N 1 3 264.388 3.208 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1nc(C)cs1 ZINC000083704631 370009606 /nfs/dbraw/zinc/00/96/06/370009606.db2.gz ZJRLJQABUHVNKV-LBPRGKRZSA-N 1 3 269.458 3.052 20 0 CGADHO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000085128177 370016510 /nfs/dbraw/zinc/01/65/10/370016510.db2.gz DUKSOTDYVHLFQE-STQMWFEESA-N 1 3 278.362 3.183 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)C12CCC2 ZINC000087710429 370029932 /nfs/dbraw/zinc/02/99/32/370029932.db2.gz QYNJWQWWWIGFEL-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000087710429 370029935 /nfs/dbraw/zinc/02/99/35/370029935.db2.gz QYNJWQWWWIGFEL-BRWVUGGUSA-N 1 3 294.483 3.046 20 0 CGADHO COCc1ccccc1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000088556877 370035569 /nfs/dbraw/zinc/03/55/69/370035569.db2.gz QFTDEMYINDADPO-UHFFFAOYSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc3ccccc32)CC[N@@H+]1C ZINC000090721204 370066597 /nfs/dbraw/zinc/06/65/97/370066597.db2.gz CNSBBWBBFIWYBW-PBHICJAKSA-N 1 3 268.404 3.412 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc3ccccc32)CC[N@H+]1C ZINC000090721204 370066599 /nfs/dbraw/zinc/06/65/99/370066599.db2.gz CNSBBWBBFIWYBW-PBHICJAKSA-N 1 3 268.404 3.412 20 0 CGADHO CC1(C)C([NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000092816096 370103824 /nfs/dbraw/zinc/10/38/24/370103824.db2.gz NQQPJJRETITCHY-UHFFFAOYSA-N 1 3 273.424 3.075 20 0 CGADHO CC(C)[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000095088230 370171944 /nfs/dbraw/zinc/17/19/44/370171944.db2.gz DLNOMGRDGAWSBE-UHFFFAOYSA-N 1 3 272.436 3.383 20 0 CGADHO CC(C)[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC000095088230 370171953 /nfs/dbraw/zinc/17/19/53/370171953.db2.gz DLNOMGRDGAWSBE-UHFFFAOYSA-N 1 3 272.436 3.383 20 0 CGADHO Cc1ccc2cc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1 ZINC000097861879 370256131 /nfs/dbraw/zinc/25/61/31/370256131.db2.gz YRMMAWVBIRMILQ-PBHICJAKSA-N 1 3 283.419 3.116 20 0 CGADHO Cc1ccc2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1 ZINC000097861879 370256134 /nfs/dbraw/zinc/25/61/34/370256134.db2.gz YRMMAWVBIRMILQ-PBHICJAKSA-N 1 3 283.419 3.116 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000113516078 370476159 /nfs/dbraw/zinc/47/61/59/370476159.db2.gz ZCFMSVHSDXVSLQ-CYBMUJFWSA-N 1 3 274.433 3.285 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000113516078 370476162 /nfs/dbraw/zinc/47/61/62/370476162.db2.gz ZCFMSVHSDXVSLQ-CYBMUJFWSA-N 1 3 274.433 3.285 20 0 CGADHO COc1cccc(Cl)c1CNCCC1CC[NH+](C)CC1 ZINC000118448907 370616631 /nfs/dbraw/zinc/61/66/31/370616631.db2.gz AKRQDVAVSDRIGC-UHFFFAOYSA-N 1 3 296.842 3.170 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129756898 371000075 /nfs/dbraw/zinc/00/00/75/371000075.db2.gz MUNNAPPQOCBMCT-MRXNPFEDSA-N 1 3 278.827 3.401 20 0 CGADHO C[NH+]1CCC(NCc2ccc(Cl)c3cccnc23)CC1 ZINC000130161316 371014811 /nfs/dbraw/zinc/01/48/11/371014811.db2.gz CFYDWBOHUNQXHL-UHFFFAOYSA-N 1 3 289.810 3.072 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000131457574 371109451 /nfs/dbraw/zinc/10/94/51/371109451.db2.gz FPEGWZIMFDFSPL-HNNXBMFYSA-N 1 3 273.424 3.219 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000131530948 371113830 /nfs/dbraw/zinc/11/38/30/371113830.db2.gz AXVFVIAEFHMYFM-UHFFFAOYSA-N 1 3 282.378 3.446 20 0 CGADHO C[NH+](C)C[C@@H]1CCN(CCCSCc2ccccc2)C1 ZINC000132030983 371147210 /nfs/dbraw/zinc/14/72/10/371147210.db2.gz WUCRACDXWDCSHO-KRWDZBQOSA-N 1 3 292.492 3.193 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851126 376205481 /nfs/dbraw/zinc/20/54/81/376205481.db2.gz IKPGJEHVQWKSLA-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000537851126 376205484 /nfs/dbraw/zinc/20/54/84/376205484.db2.gz IKPGJEHVQWKSLA-BBWFWOEESA-N 1 3 266.473 3.476 20 0 CGADHO c1ccc([C@@H]2C[C@@H]2C[NH2+]CCCN2CCCCC2)cc1 ZINC000135610955 371440092 /nfs/dbraw/zinc/44/00/92/371440092.db2.gz KWXXNSASFZIWOX-MSOLQXFVSA-N 1 3 272.436 3.256 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000149221341 371527832 /nfs/dbraw/zinc/52/78/32/371527832.db2.gz KIXZPZCWOKBZSM-KRWDZBQOSA-N 1 3 260.425 3.304 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2ccccc2)C1 ZINC000151104663 371569971 /nfs/dbraw/zinc/56/99/71/371569971.db2.gz ZHTYDJLQDHECCX-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2ccccc2)C1 ZINC000151104663 371569977 /nfs/dbraw/zinc/56/99/77/371569977.db2.gz ZHTYDJLQDHECCX-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC000151104663 371569983 /nfs/dbraw/zinc/56/99/83/371569983.db2.gz ZHTYDJLQDHECCX-WBVHZDCISA-N 1 3 260.425 3.459 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2ccc(OC)cc2)C1 ZINC000151112742 371570587 /nfs/dbraw/zinc/57/05/87/371570587.db2.gz CNOHVCDNHUZSTR-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2ccc(OC)cc2)C1 ZINC000151112742 371570595 /nfs/dbraw/zinc/57/05/95/371570595.db2.gz CNOHVCDNHUZSTR-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)c2ccc(OC)cc2)C1 ZINC000151112742 371570604 /nfs/dbraw/zinc/57/06/04/371570604.db2.gz CNOHVCDNHUZSTR-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559520 371613700 /nfs/dbraw/zinc/61/37/00/371613700.db2.gz ASSAGBNZAPFWEE-GUTXKFCHSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccc(Cl)cc1 ZINC000151559520 371613712 /nfs/dbraw/zinc/61/37/12/371613712.db2.gz ASSAGBNZAPFWEE-GUTXKFCHSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152489446 371698530 /nfs/dbraw/zinc/69/85/30/371698530.db2.gz MRRSMNWOHVTOGO-VBHSOAQHSA-N 1 3 288.410 3.133 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152489446 371698539 /nfs/dbraw/zinc/69/85/39/371698539.db2.gz MRRSMNWOHVTOGO-VBHSOAQHSA-N 1 3 288.410 3.133 20 0 CGADHO c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCN4CCC[C@H]4C3)C2)c1 ZINC000337344825 214019907 /nfs/dbraw/zinc/01/99/07/214019907.db2.gz ULQWGNNLUUCSJF-BVBHFADKSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000337344825 214019909 /nfs/dbraw/zinc/01/99/09/214019909.db2.gz ULQWGNNLUUCSJF-BVBHFADKSA-N 1 3 299.462 3.324 20 0 CGADHO c1cncc([C@@H]2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000337344825 214019910 /nfs/dbraw/zinc/01/99/10/214019910.db2.gz ULQWGNNLUUCSJF-BVBHFADKSA-N 1 3 299.462 3.324 20 0 CGADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698832 371757832 /nfs/dbraw/zinc/75/78/32/371757832.db2.gz BGUIEWLNBJLTEO-IUODEOHRSA-N 1 3 278.827 3.089 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422708917 371761058 /nfs/dbraw/zinc/76/10/58/371761058.db2.gz CIYRGFNJNLKPMM-SOUVJXGZSA-N 1 3 262.441 3.458 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCNCC[C@H]2C)cc1 ZINC000422712776 371763082 /nfs/dbraw/zinc/76/30/82/371763082.db2.gz OREGSQMRCRZQSP-WBVHZDCISA-N 1 3 274.452 3.250 20 0 CGADHO COc1cccc([C@H](C)N[C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422710333 371763382 /nfs/dbraw/zinc/76/33/82/371763382.db2.gz LREGFKHFSNIYMG-STQMWFEESA-N 1 3 299.418 3.269 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000422713163 371763775 /nfs/dbraw/zinc/76/37/75/371763775.db2.gz PHWCYQRMZWMZOM-KBPBESRZSA-N 1 3 266.816 3.087 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000422737318 371778212 /nfs/dbraw/zinc/77/82/12/371778212.db2.gz XHLKESYNHCFNLW-HBNTYKKESA-N 1 3 274.330 3.482 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1csc2ccccc12 ZINC000422751825 371784584 /nfs/dbraw/zinc/78/45/84/371784584.db2.gz CZNGWGGMMWZXLD-IUODEOHRSA-N 1 3 274.433 3.379 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000422755384 371786553 /nfs/dbraw/zinc/78/65/53/371786553.db2.gz BKOXOFGFSNPNSL-KXBFYZLASA-N 1 3 295.430 3.226 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1cccc(Br)c1 ZINC000422758334 371788784 /nfs/dbraw/zinc/78/87/84/371788784.db2.gz JIMVKPCHNWECOG-TUAOUCFPSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1cccc(Br)c1 ZINC000422758334 371788790 /nfs/dbraw/zinc/78/87/90/371788790.db2.gz JIMVKPCHNWECOG-TUAOUCFPSA-N 1 3 299.256 3.096 20 0 CGADHO Cc1cccc2c(CC[NH2+][C@H]3CCCC[C@@H]3CN)c[nH]c21 ZINC000422782689 371804465 /nfs/dbraw/zinc/80/44/65/371804465.db2.gz LZWSXPYKAKWUBW-PBHICJAKSA-N 1 3 285.435 3.126 20 0 CGADHO C[C@@H](N[C@H](c1ccccc1)C1CCCC1)C1C[NH2+]C1 ZINC000422788617 371809019 /nfs/dbraw/zinc/80/90/19/371809019.db2.gz SMWUWMXBBJGCAL-CXAGYDPISA-N 1 3 258.409 3.115 20 0 CGADHO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCCC1)C1CNC1 ZINC000422788617 371809024 /nfs/dbraw/zinc/80/90/24/371809024.db2.gz SMWUWMXBBJGCAL-CXAGYDPISA-N 1 3 258.409 3.115 20 0 CGADHO c1ccc([C@H](NC2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000422789566 371809320 /nfs/dbraw/zinc/80/93/20/371809320.db2.gz UEZRADWYJJVWFY-KRWDZBQOSA-N 1 3 258.409 3.260 20 0 CGADHO c1ccc([C@H]([NH2+]C2CCNCC2)C2CCCC2)cc1 ZINC000422789566 371809322 /nfs/dbraw/zinc/80/93/22/371809322.db2.gz UEZRADWYJJVWFY-KRWDZBQOSA-N 1 3 258.409 3.260 20 0 CGADHO CC(C)[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000422790852 371811086 /nfs/dbraw/zinc/81/10/86/371811086.db2.gz UJOHCVDXBWPSER-SLEUVZQESA-N 1 3 252.377 3.238 20 0 CGADHO CCN(CCC[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422790331 371811579 /nfs/dbraw/zinc/81/15/79/371811579.db2.gz TUNXVABYOCQICE-AEFFLSMTSA-N 1 3 289.467 3.010 20 0 CGADHO Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000422795456 371812831 /nfs/dbraw/zinc/81/28/31/371812831.db2.gz VPAIBDVJKOQLBQ-MDASCCDHSA-N 1 3 296.414 3.497 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)c1ccc(F)cc1F ZINC000422801082 371817856 /nfs/dbraw/zinc/81/78/56/371817856.db2.gz DMKRZOCZFGRPBU-OZVIIMIRSA-N 1 3 282.378 3.046 20 0 CGADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1ccc(F)cc1F ZINC000422801082 371817866 /nfs/dbraw/zinc/81/78/66/371817866.db2.gz DMKRZOCZFGRPBU-OZVIIMIRSA-N 1 3 282.378 3.046 20 0 CGADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)Oc1ccccc1F ZINC000422817612 371828516 /nfs/dbraw/zinc/82/85/16/371828516.db2.gz IAHBFERWNNFSIH-FMKPAKJESA-N 1 3 294.414 3.090 20 0 CGADHO CC[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1F ZINC000422817612 371828520 /nfs/dbraw/zinc/82/85/20/371828520.db2.gz IAHBFERWNNFSIH-FMKPAKJESA-N 1 3 294.414 3.090 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867342 371844869 /nfs/dbraw/zinc/84/48/69/371844869.db2.gz RYIAMIOMVKVFOV-MSOLQXFVSA-N 1 3 282.387 3.448 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422876677 371850382 /nfs/dbraw/zinc/85/03/82/371850382.db2.gz GHBCQWLWDVVDIM-YOEHRIQHSA-N 1 3 290.426 3.355 20 0 CGADHO CC[C@@H](C)[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000154567891 371856980 /nfs/dbraw/zinc/85/69/80/371856980.db2.gz KWDLYTONUAUMFE-MRXNPFEDSA-N 1 3 289.467 3.059 20 0 CGADHO CC[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000154567891 371856985 /nfs/dbraw/zinc/85/69/85/371856985.db2.gz KWDLYTONUAUMFE-MRXNPFEDSA-N 1 3 289.467 3.059 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCCCOc1ccc2ccccc2c1 ZINC000422892965 371857042 /nfs/dbraw/zinc/85/70/42/371857042.db2.gz ZYUWOQHKGZIYOO-MSOLQXFVSA-N 1 3 284.403 3.078 20 0 CGADHO CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)CCCC[NH3+] ZINC000422912223 371864224 /nfs/dbraw/zinc/86/42/24/371864224.db2.gz MSEDDPIRDFZLRM-ZIAGYGMSSA-N 1 3 288.439 3.224 20 0 CGADHO CC(C)[C@@H]1OCCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422919771 371869536 /nfs/dbraw/zinc/86/95/36/371869536.db2.gz KPBGMXOBYDHVRD-ZSGPHXLJSA-N 1 3 288.435 3.172 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NC1(c2ccccc2)CC1 ZINC000422940696 371881554 /nfs/dbraw/zinc/88/15/54/371881554.db2.gz UCSGHJZBSYMBHM-CQSZACIVSA-N 1 3 281.403 3.189 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc2ccccc2c1 ZINC000422938660 371881722 /nfs/dbraw/zinc/88/17/22/371881722.db2.gz DVNVRRZNLHVVCT-KBPBESRZSA-N 1 3 256.393 3.098 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc2ccccc2c1 ZINC000422938660 371881724 /nfs/dbraw/zinc/88/17/24/371881724.db2.gz DVNVRRZNLHVVCT-KBPBESRZSA-N 1 3 256.393 3.098 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422941287 371883057 /nfs/dbraw/zinc/88/30/57/371883057.db2.gz UXSPFPWRWGRSHM-WFASDCNBSA-N 1 3 274.433 3.161 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000422941471 371883310 /nfs/dbraw/zinc/88/33/10/371883310.db2.gz OPHZOXICESXCHW-TUAOUCFPSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccc(Br)cc1 ZINC000422941471 371883314 /nfs/dbraw/zinc/88/33/14/371883314.db2.gz OPHZOXICESXCHW-TUAOUCFPSA-N 1 3 299.256 3.096 20 0 CGADHO Cc1cccc(C)c1OCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422944436 371883473 /nfs/dbraw/zinc/88/34/73/371883473.db2.gz MGPDMWFUXPAFLB-IRXDYDNUSA-N 1 3 290.451 3.179 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCc2sccc21 ZINC000423052763 371936351 /nfs/dbraw/zinc/93/63/51/371936351.db2.gz RDXINMSBBKBILU-MRVWCRGKSA-N 1 3 264.438 3.103 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423055728 371937538 /nfs/dbraw/zinc/93/75/38/371937538.db2.gz WKEAQKHDBDRXSM-RYUDHWBXSA-N 1 3 270.367 3.003 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC000154871836 371887441 /nfs/dbraw/zinc/88/74/41/371887441.db2.gz LTRSBTAJZQIBOQ-MRXNPFEDSA-N 1 3 286.529 3.429 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCSCC(C)C)C1 ZINC000154871836 371887445 /nfs/dbraw/zinc/88/74/45/371887445.db2.gz LTRSBTAJZQIBOQ-MRXNPFEDSA-N 1 3 286.529 3.429 20 0 CGADHO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422950575 371888068 /nfs/dbraw/zinc/88/80/68/371888068.db2.gz YKAJSUQDYGKUCM-RHSMWYFYSA-N 1 3 290.451 3.080 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000422964946 371894722 /nfs/dbraw/zinc/89/47/22/371894722.db2.gz NIZJTMKPKOVVFU-QWHCGFSZSA-N 1 3 287.407 3.114 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422967985 371895826 /nfs/dbraw/zinc/89/58/26/371895826.db2.gz QCZQOKFIUKUFSO-LUKYLMHMSA-N 1 3 258.409 3.040 20 0 CGADHO CCCC(O)(CCC)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422982657 371902029 /nfs/dbraw/zinc/90/20/29/371902029.db2.gz XKBUKXBBYPKRFK-IXDOHACOSA-N 1 3 296.499 3.218 20 0 CGADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422982657 371902034 /nfs/dbraw/zinc/90/20/34/371902034.db2.gz XKBUKXBBYPKRFK-IXDOHACOSA-N 1 3 296.499 3.218 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422993339 371906746 /nfs/dbraw/zinc/90/67/46/371906746.db2.gz FNGVFZIMSYPNGR-DLBZAZTESA-N 1 3 272.436 3.116 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422997254 371908748 /nfs/dbraw/zinc/90/87/48/371908748.db2.gz UTQCODQDOAPODP-DOTOQJQBSA-N 1 3 290.426 3.256 20 0 CGADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000423008630 371912515 /nfs/dbraw/zinc/91/25/15/371912515.db2.gz ASLMTXHUFOJBKJ-RBSFLKMASA-N 1 3 286.410 3.465 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H](CCO)C2CCCCC2)c2ccccc21 ZINC000423009449 371913941 /nfs/dbraw/zinc/91/39/41/371913941.db2.gz VPXJDPGXUAYBQA-KURKYZTESA-N 1 3 288.435 3.052 20 0 CGADHO Cc1ccsc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423020302 371918964 /nfs/dbraw/zinc/91/89/64/371918964.db2.gz ZVKZPEDXRMYORQ-KFWWJZLASA-N 1 3 278.465 3.109 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]1NCCn1c2ccccc2c2ccccc21 ZINC000423035666 371926188 /nfs/dbraw/zinc/92/61/88/371926188.db2.gz SGNJVMFGEVMOFR-IAGOWNOFSA-N 1 3 293.414 3.264 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCC[C@@H]2CCCCO2)c2ccccc21 ZINC000423037098 371926566 /nfs/dbraw/zinc/92/65/66/371926566.db2.gz MIQVXUWGXGSXGG-IAOVAPTHSA-N 1 3 274.408 3.070 20 0 CGADHO COC1CCC(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423040513 371927868 /nfs/dbraw/zinc/92/78/68/371927868.db2.gz UJNZZCZBDIZSOH-PCHAPFSGSA-N 1 3 288.435 3.316 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000423037630 371928178 /nfs/dbraw/zinc/92/81/78/371928178.db2.gz NFDFACWUANRERO-MCIONIFRSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@H](N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1C[NH2+]C1 ZINC000423092061 371958208 /nfs/dbraw/zinc/95/82/08/371958208.db2.gz AHZKPJNODMMHDX-WBIUFABUSA-N 1 3 298.352 3.149 20 0 CGADHO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CNC1 ZINC000423092061 371958216 /nfs/dbraw/zinc/95/82/16/371958216.db2.gz AHZKPJNODMMHDX-WBIUFABUSA-N 1 3 298.352 3.149 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C)cn2)CC1 ZINC000156244642 371970368 /nfs/dbraw/zinc/97/03/68/371970368.db2.gz FRZXUGIABVJWOA-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C)cn2)CC1 ZINC000156244642 371970377 /nfs/dbraw/zinc/97/03/77/371970377.db2.gz FRZXUGIABVJWOA-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)c2ccccc21 ZINC000423172823 372002159 /nfs/dbraw/zinc/00/21/59/372002159.db2.gz VLLOEYJCUCFWCN-DZOHQFGASA-N 1 3 282.362 3.416 20 0 CGADHO CCSc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423126361 371978748 /nfs/dbraw/zinc/97/87/48/371978748.db2.gz IRIWGGLQDNGYPM-VXGBXAGGSA-N 1 3 252.427 3.014 20 0 CGADHO COc1cc(CCN[C@@H]2CCCCC[C@H]2[NH3+])ccc1Cl ZINC000423140865 371989535 /nfs/dbraw/zinc/98/95/35/371989535.db2.gz ZOFDBJXOHVPAPG-HUUCEWRRSA-N 1 3 296.842 3.141 20 0 CGADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCC1=CCCCC1 ZINC000423149551 371992131 /nfs/dbraw/zinc/99/21/31/371992131.db2.gz XSWBGFCECVCWIZ-PKOBYXMFSA-N 1 3 298.430 3.332 20 0 CGADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCCCC[C@@H]3[NH3+])C2)c1 ZINC000423149985 371992157 /nfs/dbraw/zinc/99/21/57/371992157.db2.gz BIGIBUHMJRAOPQ-UOVPBQLFSA-N 1 3 288.435 3.191 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454546 371992301 /nfs/dbraw/zinc/99/23/01/371992301.db2.gz MMNCFCUARGXXJF-WBVHZDCISA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3cc[nH]c32)C1 ZINC000290454546 371992305 /nfs/dbraw/zinc/99/23/05/371992305.db2.gz MMNCFCUARGXXJF-WBVHZDCISA-N 1 3 283.419 3.084 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423172035 372003043 /nfs/dbraw/zinc/00/30/43/372003043.db2.gz QYULAERCJBKJEM-DRRXZNNHSA-N 1 3 264.457 3.321 20 0 CGADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000423172035 372003047 /nfs/dbraw/zinc/00/30/47/372003047.db2.gz QYULAERCJBKJEM-DRRXZNNHSA-N 1 3 264.457 3.321 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C ZINC000423161617 371995642 /nfs/dbraw/zinc/99/56/42/371995642.db2.gz JJWUKFZIZGHWQQ-NWDGAFQWSA-N 1 3 263.429 3.324 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000423070290 371945881 /nfs/dbraw/zinc/94/58/81/371945881.db2.gz FXVQRWUCLLGRKE-KZNAEPCWSA-N 1 3 272.436 3.445 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000423070291 371946225 /nfs/dbraw/zinc/94/62/25/371946225.db2.gz FXVQRWUCLLGRKE-SQNIBIBYSA-N 1 3 272.436 3.445 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCC23CCCC3)c2ccccc21 ZINC000423074626 371949294 /nfs/dbraw/zinc/94/92/94/371949294.db2.gz MJRJTEBUPMYCLV-PMPSAXMXSA-N 1 3 256.393 3.444 20 0 CGADHO C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000423074698 371950102 /nfs/dbraw/zinc/95/01/02/371950102.db2.gz MPQRWBQMOJDMEK-NQNKBUKLSA-N 1 3 296.499 3.181 20 0 CGADHO COC1CCC(C)(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423089172 371955930 /nfs/dbraw/zinc/95/59/30/371955930.db2.gz UNCDNBMKHFWEQW-KHCOKFHASA-N 1 3 288.435 3.316 20 0 CGADHO CNCCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423201458 372025450 /nfs/dbraw/zinc/02/54/50/372025450.db2.gz OUQZCFMRUXMQFB-GDBMZVCRSA-N 1 3 294.414 3.060 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000423201458 372025454 /nfs/dbraw/zinc/02/54/54/372025454.db2.gz OUQZCFMRUXMQFB-GDBMZVCRSA-N 1 3 294.414 3.060 20 0 CGADHO CCc1ccc([C@@H](CC)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000423214523 372033692 /nfs/dbraw/zinc/03/36/92/372033692.db2.gz PAWVGXQHNJKHHT-DOTOQJQBSA-N 1 3 260.425 3.289 20 0 CGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@H]2CCCNC2)cc1 ZINC000423214523 372033699 /nfs/dbraw/zinc/03/36/99/372033699.db2.gz PAWVGXQHNJKHHT-DOTOQJQBSA-N 1 3 260.425 3.289 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423220169 372038726 /nfs/dbraw/zinc/03/87/26/372038726.db2.gz XQKJPKASKCWBPG-UJJTZGENSA-N 1 3 272.436 3.126 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccs1 ZINC000423322125 372051595 /nfs/dbraw/zinc/05/15/95/372051595.db2.gz NPKYXLUWEMDJDX-CHWSQXEVSA-N 1 3 252.427 3.162 20 0 CGADHO c1ccc([C@H]2CCCC[C@H]2N[C@@H]2CCC[NH2+]C2)cc1 ZINC000423354167 372053253 /nfs/dbraw/zinc/05/32/53/372053253.db2.gz FNNIAGFMGJRZDI-BRWVUGGUSA-N 1 3 258.409 3.054 20 0 CGADHO CCCC[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000158165041 372056657 /nfs/dbraw/zinc/05/66/57/372056657.db2.gz AMPFXHSUOSBDIX-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO CCCC[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000158165041 372056666 /nfs/dbraw/zinc/05/66/66/372056666.db2.gz AMPFXHSUOSBDIX-UHFFFAOYSA-N 1 3 289.467 3.060 20 0 CGADHO Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])c2ccccc12 ZINC000423173236 372003825 /nfs/dbraw/zinc/00/38/25/372003825.db2.gz XNPNKPQKGMUMEA-ZIAGYGMSSA-N 1 3 256.393 3.364 20 0 CGADHO CC[C@H](NCCC[NH3+])c1ccc2cc(OC)ccc2c1 ZINC000423178515 372007088 /nfs/dbraw/zinc/00/70/88/372007088.db2.gz KSPPSWZEUYCLCW-KRWDZBQOSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@H]([NH2+]C1CCNCC1)c1ccccc1C(C)(C)C ZINC000423183596 372011104 /nfs/dbraw/zinc/01/11/04/372011104.db2.gz LFDVKGUSNWYILC-ZDUSSCGKSA-N 1 3 260.425 3.387 20 0 CGADHO Fc1cccc(CNCCCCC[NH+]2CCCC2)c1F ZINC000292852895 372227494 /nfs/dbraw/zinc/22/74/94/372227494.db2.gz ACVGMDBNIFWAOH-UHFFFAOYSA-N 1 3 282.378 3.321 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+]CC1=CCN(C)CC1 ZINC000344303235 217140515 /nfs/dbraw/zinc/14/05/15/217140515.db2.gz SNMUFSAUFYXTFN-CQSZACIVSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@H](CCN(C)C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428865274 372273731 /nfs/dbraw/zinc/27/37/31/372273731.db2.gz VVLWBDLNFBLUDG-SECBINFHSA-N 1 3 280.359 3.197 20 0 CGADHO COc1cc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)ccc1SC ZINC000293318511 372353842 /nfs/dbraw/zinc/35/38/42/372353842.db2.gz FNAFIFJEVZGWGG-QWHCGFSZSA-N 1 3 296.480 3.265 20 0 CGADHO C[C@H]1CN(CCCc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430958535 372410466 /nfs/dbraw/zinc/41/04/66/372410466.db2.gz YFTONIIGPXKYDL-HNAYVOBHSA-N 1 3 282.431 3.442 20 0 CGADHO COC1(C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)CCC1 ZINC000429435619 372366660 /nfs/dbraw/zinc/36/66/60/372366660.db2.gz UNPZMNRMJRSUHX-CVEARBPZSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]1CCN(Cc2ccc(C(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163420138 372469660 /nfs/dbraw/zinc/46/96/60/372469660.db2.gz CEYIQWQBSDKRSI-FZMZJTMJSA-N 1 3 268.351 3.041 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000166558271 372575976 /nfs/dbraw/zinc/57/59/76/372575976.db2.gz TYYFBNJVELJPPZ-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000166558271 372575983 /nfs/dbraw/zinc/57/59/83/372575983.db2.gz TYYFBNJVELJPPZ-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515432 372576371 /nfs/dbraw/zinc/57/63/71/372576371.db2.gz MIMADFPLIBCCIL-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000166515432 372576376 /nfs/dbraw/zinc/57/63/76/372576376.db2.gz MIMADFPLIBCCIL-SUMWQHHRSA-N 1 3 276.399 3.351 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000353503315 220122824 /nfs/dbraw/zinc/12/28/24/220122824.db2.gz OKMWYKUYPIVRPB-NZSAHSFTSA-N 1 3 295.430 3.197 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cnc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000353503315 220122826 /nfs/dbraw/zinc/12/28/26/220122826.db2.gz OKMWYKUYPIVRPB-NZSAHSFTSA-N 1 3 295.430 3.197 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cnc3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000353503315 220122827 /nfs/dbraw/zinc/12/28/27/220122827.db2.gz OKMWYKUYPIVRPB-NZSAHSFTSA-N 1 3 295.430 3.197 20 0 CGADHO Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](CC[NH3+])C1 ZINC000443057837 373146518 /nfs/dbraw/zinc/14/65/18/373146518.db2.gz IHSAOKDXANFDSV-OAHLLOKOSA-N 1 3 299.418 3.211 20 0 CGADHO CC(C)c1cnc(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC000446888164 373375410 /nfs/dbraw/zinc/37/54/10/373375410.db2.gz DPRLCBZHWGGZET-UHFFFAOYSA-N 1 3 293.480 3.231 20 0 CGADHO C[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298542261 373353119 /nfs/dbraw/zinc/35/31/19/373353119.db2.gz TVQVYHSADSXNKH-MRXNPFEDSA-N 1 3 295.430 3.444 20 0 CGADHO CCC[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000447567164 373453229 /nfs/dbraw/zinc/45/32/29/373453229.db2.gz ZNQYAAGHVXSDES-KRWDZBQOSA-N 1 3 287.451 3.387 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCSC3)CC2)C1 ZINC000448029809 373539092 /nfs/dbraw/zinc/53/90/92/373539092.db2.gz RACIHVZAZXNGAY-HLLBOEOZSA-N 1 3 296.524 3.372 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059238 373545024 /nfs/dbraw/zinc/54/50/24/373545024.db2.gz AKLJIZNXNDPXKF-CQSZACIVSA-N 1 3 250.430 3.029 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC)cc2)CC1 ZINC000177050711 373651204 /nfs/dbraw/zinc/65/12/04/373651204.db2.gz KQQYZQLOPPXQNA-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC)cc2)CC1 ZINC000177050711 373651213 /nfs/dbraw/zinc/65/12/13/373651213.db2.gz KQQYZQLOPPXQNA-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000449444853 373721434 /nfs/dbraw/zinc/72/14/34/373721434.db2.gz DYDAXLFWEGVKJR-KEYYUXOJSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1cc(NC[C@@H](C)N2CCc3ccccc3C2)cc[nH+]1 ZINC000302326194 373853428 /nfs/dbraw/zinc/85/34/28/373853428.db2.gz SOFQIBMQHKKONX-OAHLLOKOSA-N 1 3 281.403 3.249 20 0 CGADHO C[NH2+]C[C@H]1CCN([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000071141923 541895112 /nfs/dbraw/zinc/89/51/12/541895112.db2.gz LCVZCISYBQAVPO-HZPDHXFCSA-N 1 3 260.425 3.214 20 0 CGADHO C1=C(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CCCC1 ZINC000450443696 374133006 /nfs/dbraw/zinc/13/30/06/374133006.db2.gz VSCKZCMENNLCJS-QGZVFWFLSA-N 1 3 262.441 3.295 20 0 CGADHO C1=C(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CCCC1 ZINC000450443696 374133008 /nfs/dbraw/zinc/13/30/08/374133008.db2.gz VSCKZCMENNLCJS-QGZVFWFLSA-N 1 3 262.441 3.295 20 0 CGADHO CC(C)CC(C)(C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000090228102 541958216 /nfs/dbraw/zinc/95/82/16/541958216.db2.gz NYUPDJRHPQVZHA-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090228102 541958219 /nfs/dbraw/zinc/95/82/19/541958219.db2.gz NYUPDJRHPQVZHA-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)CC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090228102 541958220 /nfs/dbraw/zinc/95/82/20/541958220.db2.gz NYUPDJRHPQVZHA-LSDHHAIUSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([N@H+](C)Cc1ccc(OCCN(C)C)cc1)C1(C)CC1 ZINC000091900304 541971551 /nfs/dbraw/zinc/97/15/51/541971551.db2.gz LMNSJPKJQWTSTP-HNNXBMFYSA-N 1 3 290.451 3.247 20 0 CGADHO C[C@H]([N@@H+](C)Cc1ccc(OCCN(C)C)cc1)C1(C)CC1 ZINC000091900304 541971554 /nfs/dbraw/zinc/97/15/54/541971554.db2.gz LMNSJPKJQWTSTP-HNNXBMFYSA-N 1 3 290.451 3.247 20 0 CGADHO CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185667237 374710619 /nfs/dbraw/zinc/71/06/19/374710619.db2.gz WJJCENQAWDKNKS-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC000094528255 541987509 /nfs/dbraw/zinc/98/75/09/541987509.db2.gz QADILYZGGUULHW-ZFWWWQNUSA-N 1 3 258.409 3.123 20 0 CGADHO CNC[C@H]1CC[N@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469992668 374993624 /nfs/dbraw/zinc/99/36/24/374993624.db2.gz MSJURQUUUOMIDF-GOEBONIOSA-N 1 3 252.446 3.134 20 0 CGADHO CNC[C@H]1CC[N@@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469992668 374993631 /nfs/dbraw/zinc/99/36/31/374993631.db2.gz MSJURQUUUOMIDF-GOEBONIOSA-N 1 3 252.446 3.134 20 0 CGADHO C[NH2+]C[C@H]1CCN(C[C@@H](C)CC2CCCCC2)C1 ZINC000469992668 374993634 /nfs/dbraw/zinc/99/36/34/374993634.db2.gz MSJURQUUUOMIDF-GOEBONIOSA-N 1 3 252.446 3.134 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000472748120 375032240 /nfs/dbraw/zinc/03/22/40/375032240.db2.gz ILWISOBGKBOEGX-ROUUACIJSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](c2ccccc2)C1 ZINC000472748120 375032245 /nfs/dbraw/zinc/03/22/45/375032245.db2.gz ILWISOBGKBOEGX-ROUUACIJSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1nccnc1[C@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000187777777 375093673 /nfs/dbraw/zinc/09/36/73/375093673.db2.gz USKPELCAXGRDBZ-GJZGRUSLSA-N 1 3 290.455 3.090 20 0 CGADHO Cc1nccnc1[C@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000187777777 375093678 /nfs/dbraw/zinc/09/36/78/375093678.db2.gz USKPELCAXGRDBZ-GJZGRUSLSA-N 1 3 290.455 3.090 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000487549167 375251042 /nfs/dbraw/zinc/25/10/42/375251042.db2.gz FLYSITMSAWZOKR-OAHLLOKOSA-N 1 3 284.513 3.374 20 0 CGADHO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc2c1CCNC2 ZINC000123886933 542029107 /nfs/dbraw/zinc/02/91/07/542029107.db2.gz JPPRVANKUOHQIE-KBPBESRZSA-N 1 3 258.409 3.095 20 0 CGADHO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccc2c1CCNC2 ZINC000123941787 542029896 /nfs/dbraw/zinc/02/98/96/542029896.db2.gz HTVARDWRMFNDPA-KSSFIOAISA-N 1 3 272.436 3.343 20 0 CGADHO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000123941787 542029898 /nfs/dbraw/zinc/02/98/98/542029898.db2.gz HTVARDWRMFNDPA-KSSFIOAISA-N 1 3 272.436 3.343 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507506605 375709182 /nfs/dbraw/zinc/70/91/82/375709182.db2.gz GZYDVWNRXUZLHS-XDNAFOTISA-N 1 3 296.499 3.292 20 0 CGADHO Oc1cccc2c1CCC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000192363995 375740104 /nfs/dbraw/zinc/74/01/04/375740104.db2.gz LWWNZLJXAABCOA-KRWDZBQOSA-N 1 3 288.435 3.235 20 0 CGADHO COc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)c(C)c1 ZINC000519604799 375849254 /nfs/dbraw/zinc/84/92/54/375849254.db2.gz GUXOFAVMCBGPJH-CQSZACIVSA-N 1 3 284.403 3.313 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000194066105 375956688 /nfs/dbraw/zinc/95/66/88/375956688.db2.gz GJTUWMCTIOIEJT-IXDOHACOSA-N 1 3 294.483 3.043 20 0 CGADHO CCC[C@@H](C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000538304404 376231363 /nfs/dbraw/zinc/23/13/63/376231363.db2.gz HSKTUQVKQCPMHN-HZPDHXFCSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[C@@H](C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000538304404 376231367 /nfs/dbraw/zinc/23/13/67/376231367.db2.gz HSKTUQVKQCPMHN-HZPDHXFCSA-N 1 3 252.446 3.230 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000222945520 376245088 /nfs/dbraw/zinc/24/50/88/376245088.db2.gz OUSZNDWANSQECB-FMKPAKJESA-N 1 3 262.397 3.006 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751262 376267755 /nfs/dbraw/zinc/26/77/55/376267755.db2.gz YNGZSOGDAHMXGG-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC000538751262 376267758 /nfs/dbraw/zinc/26/77/58/376267758.db2.gz YNGZSOGDAHMXGG-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C[C@@H]1C ZINC000539510062 376316238 /nfs/dbraw/zinc/31/62/38/376316238.db2.gz WMQFVGUQOADYHW-UAGQMJEPSA-N 1 3 264.457 3.299 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)s1 ZINC000539896292 376345601 /nfs/dbraw/zinc/34/56/01/376345601.db2.gz KVPSQOWHKAKIMK-CZUORRHYSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)s1 ZINC000539896292 376345604 /nfs/dbraw/zinc/34/56/04/376345604.db2.gz KVPSQOWHKAKIMK-CZUORRHYSA-N 1 3 278.465 3.227 20 0 CGADHO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000227678067 376405208 /nfs/dbraw/zinc/40/52/08/376405208.db2.gz HFZMILUYKYWITK-ZIAGYGMSSA-N 1 3 269.392 3.473 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cc(F)ccc2C)CC1 ZINC000226508806 376362056 /nfs/dbraw/zinc/36/20/56/376362056.db2.gz BUVXMWWKSPWAEM-UHFFFAOYSA-N 1 3 278.415 3.488 20 0 CGADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCC)C2)C1(C)C ZINC000540597299 376384741 /nfs/dbraw/zinc/38/47/41/376384741.db2.gz LDLPINMBNDAJAR-BRWVUGGUSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)[NH+]1CCC(N(C)[C@H](C)Cc2ccsc2)CC1 ZINC000541202641 376426786 /nfs/dbraw/zinc/42/67/86/376426786.db2.gz HUCDXNHUVSKUSB-CQSZACIVSA-N 1 3 280.481 3.484 20 0 CGADHO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCN2CCCC2)C1 ZINC000235701323 376648470 /nfs/dbraw/zinc/64/84/70/376648470.db2.gz QDUYWNBXMFTTBA-GDBMZVCRSA-N 1 3 250.430 3.054 20 0 CGADHO CCN(CC)CCC[NH2+]CC(C)(C)c1ccccc1 ZINC000135709461 542088787 /nfs/dbraw/zinc/08/87/87/542088787.db2.gz IOJBAJZRLZIXHW-UHFFFAOYSA-N 1 3 262.441 3.286 20 0 CGADHO CC[NH+](CC)CCCNCC(C)(C)c1ccccc1 ZINC000135709461 542088790 /nfs/dbraw/zinc/08/87/90/542088790.db2.gz IOJBAJZRLZIXHW-UHFFFAOYSA-N 1 3 262.441 3.286 20 0 CGADHO CN(C)CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000151957212 542104424 /nfs/dbraw/zinc/10/44/24/542104424.db2.gz CEWWGERSKMPWTQ-CYBMUJFWSA-N 1 3 284.856 3.418 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000545196104 376796161 /nfs/dbraw/zinc/79/61/61/376796161.db2.gz URVJJCZJDJXBHY-MRXNPFEDSA-N 1 3 297.446 3.416 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000545196104 376796171 /nfs/dbraw/zinc/79/61/71/376796171.db2.gz URVJJCZJDJXBHY-MRXNPFEDSA-N 1 3 297.446 3.416 20 0 CGADHO CCC[NH+]1CCC(NCC2(c3cccc(F)c3)CC2)CC1 ZINC000155272830 542122015 /nfs/dbraw/zinc/12/20/15/542122015.db2.gz FUHYJBWXRHSXJT-UHFFFAOYSA-N 1 3 290.426 3.321 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245532883 376844283 /nfs/dbraw/zinc/84/42/83/376844283.db2.gz IMVLDMJJYGCLDP-PMPSAXMXSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000245532883 376844290 /nfs/dbraw/zinc/84/42/90/376844290.db2.gz IMVLDMJJYGCLDP-PMPSAXMXSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](CCSc1ccccc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000245711708 376887751 /nfs/dbraw/zinc/88/77/51/376887751.db2.gz ZXPSNPIZDDXPAW-HOTGVXAUSA-N 1 3 292.492 3.441 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000245714672 376890294 /nfs/dbraw/zinc/89/02/94/376890294.db2.gz CSCSQQFNORLHSH-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000245714672 376890301 /nfs/dbraw/zinc/89/03/01/376890301.db2.gz CSCSQQFNORLHSH-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC000245714672 376890305 /nfs/dbraw/zinc/89/03/05/376890305.db2.gz CSCSQQFNORLHSH-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1C ZINC000245714672 376890309 /nfs/dbraw/zinc/89/03/09/376890309.db2.gz CSCSQQFNORLHSH-ZWKOTPCHSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(CNCc2ccc(C[NH+](C)C)cc2)cc(C)c1O ZINC000340192198 376942757 /nfs/dbraw/zinc/94/27/57/376942757.db2.gz ZJLLQPVYKHTIOR-UHFFFAOYSA-N 1 3 298.430 3.360 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246604201 377060302 /nfs/dbraw/zinc/06/03/02/377060302.db2.gz GJJUNWGWVDVILD-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246604201 377060309 /nfs/dbraw/zinc/06/03/09/377060309.db2.gz GJJUNWGWVDVILD-DOTOQJQBSA-N 1 3 260.425 3.218 20 0 CGADHO C[C@@H](NCCCCC[NH+]1CCCC1)c1ccncc1F ZINC000340473886 377086609 /nfs/dbraw/zinc/08/66/09/377086609.db2.gz DXKGILDUOKYDSQ-CQSZACIVSA-N 1 3 279.403 3.137 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1F)c1cccc(OCC[NH+](C)C)c1 ZINC000340526701 377124741 /nfs/dbraw/zinc/12/47/41/377124741.db2.gz QRLUGMSASHOZIE-IAOVAPTHSA-N 1 3 294.414 3.168 20 0 CGADHO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000247053059 377150583 /nfs/dbraw/zinc/15/05/83/377150583.db2.gz MGEAGKCBIOIYJA-DOTOQJQBSA-N 1 3 290.451 3.214 20 0 CGADHO Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248446294 377322000 /nfs/dbraw/zinc/32/20/00/377322000.db2.gz GUVHWQSNDRLVHW-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248446294 377322005 /nfs/dbraw/zinc/32/20/05/377322005.db2.gz GUVHWQSNDRLVHW-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO C[C@@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000562533193 377325726 /nfs/dbraw/zinc/32/57/26/377325726.db2.gz KKBJVQUDBSPEAR-HUUCEWRRSA-N 1 3 273.424 3.050 20 0 CGADHO C[C@@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@H]2C)c1 ZINC000562533193 377325732 /nfs/dbraw/zinc/32/57/32/377325732.db2.gz KKBJVQUDBSPEAR-HUUCEWRRSA-N 1 3 273.424 3.050 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175022 377276582 /nfs/dbraw/zinc/27/65/82/377276582.db2.gz VLLAHMGASOPADK-OLMNPRSZSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CC[C@H]21 ZINC000248175022 377276588 /nfs/dbraw/zinc/27/65/88/377276588.db2.gz VLLAHMGASOPADK-OLMNPRSZSA-N 1 3 288.410 3.229 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3sccc32)CC[N@@H+]1C ZINC000248199439 377279983 /nfs/dbraw/zinc/27/99/83/377279983.db2.gz YDGYQYSEHDJGFS-DYEKYZERSA-N 1 3 264.438 3.198 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3sccc32)CC[N@H+]1C ZINC000248199439 377279991 /nfs/dbraw/zinc/27/99/91/377279991.db2.gz YDGYQYSEHDJGFS-DYEKYZERSA-N 1 3 264.438 3.198 20 0 CGADHO CC(C)C(C[NH2+][C@H]1CCN2CCC[C@H]2C1)C(C)C ZINC000248821862 377407157 /nfs/dbraw/zinc/40/71/57/377407157.db2.gz JKQXFZMETTXIMF-GJZGRUSLSA-N 1 3 252.446 3.131 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249098962 377463977 /nfs/dbraw/zinc/46/39/77/377463977.db2.gz PCTGEVFIESGASP-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO Cc1cc(Cl)ccc1OCCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422905461 249127475 /nfs/dbraw/zinc/12/74/75/249127475.db2.gz ZBVWSIIMOLREDR-OLZOCXBDSA-N 1 3 284.831 3.133 20 0 CGADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422905461 249127477 /nfs/dbraw/zinc/12/74/77/249127477.db2.gz ZBVWSIIMOLREDR-OLZOCXBDSA-N 1 3 284.831 3.133 20 0 CGADHO Cc1cc(Br)ccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414936916 249124148 /nfs/dbraw/zinc/12/41/48/249124148.db2.gz ZNKSCSKLDNTRIX-UONOGXRCSA-N 1 3 297.240 3.117 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250260824 377557317 /nfs/dbraw/zinc/55/73/17/377557317.db2.gz UFLSDDWPKWEBRR-KZNAEPCWSA-N 1 3 290.426 3.269 20 0 CGADHO Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)cc1 ZINC000250260824 377557325 /nfs/dbraw/zinc/55/73/25/377557325.db2.gz UFLSDDWPKWEBRR-KZNAEPCWSA-N 1 3 290.426 3.269 20 0 CGADHO Cc1cc(F)ccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251032292 377572626 /nfs/dbraw/zinc/57/26/26/377572626.db2.gz DYXCBLWUCKWWIH-KZNAEPCWSA-N 1 3 290.426 3.187 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000514779229 249188742 /nfs/dbraw/zinc/18/87/42/249188742.db2.gz KGRFVOVONBCINM-SZMVWBNQSA-N 1 3 272.436 3.110 20 0 CGADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000516760001 249243509 /nfs/dbraw/zinc/24/35/09/249243509.db2.gz ISLSGFPHEPGGTF-UGSOOPFHSA-N 1 3 281.403 3.137 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(OC2CCCC2)c1 ZINC000516450338 249233792 /nfs/dbraw/zinc/23/37/92/249233792.db2.gz CGTNMHRAMWHGJQ-KGLIPLIRSA-N 1 3 276.424 3.223 20 0 CGADHO C[C@H](c1ccccc1Cl)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252877341 377666458 /nfs/dbraw/zinc/66/64/58/377666458.db2.gz WRDRCQHNHBDGLN-TWJWRFFLSA-N 1 3 278.827 3.460 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000252891495 377669686 /nfs/dbraw/zinc/66/96/86/377669686.db2.gz KUIBXQLLSNGQBK-RHSMWYFYSA-N 1 3 274.452 3.414 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(C)(C)C)cc1 ZINC000252891495 377669689 /nfs/dbraw/zinc/66/96/89/377669689.db2.gz KUIBXQLLSNGQBK-RHSMWYFYSA-N 1 3 274.452 3.414 20 0 CGADHO C([C@@H]1CCCN(C[C@@H]2CCCOC2)C1)[NH+]1CCCCCC1 ZINC000342717638 377754282 /nfs/dbraw/zinc/75/42/82/377754282.db2.gz ADSLIYOAZYBBKD-ROUUACIJSA-N 1 3 294.483 3.001 20 0 CGADHO Cc1ccc(C(C)(C)CN[C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000259035016 377803030 /nfs/dbraw/zinc/80/30/30/377803030.db2.gz OXVDCCMTNJCMKR-CVEARBPZSA-N 1 3 260.425 3.050 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261694596 377840368 /nfs/dbraw/zinc/84/03/68/377840368.db2.gz NPCHEAZSTXRRET-WCUVEOEZSA-N 1 3 296.361 3.018 20 0 CGADHO C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261694593 377840440 /nfs/dbraw/zinc/84/04/40/377840440.db2.gz NPCHEAZSTXRRET-BQPHKTIFSA-N 1 3 296.361 3.018 20 0 CGADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000261550188 377816727 /nfs/dbraw/zinc/81/67/27/377816727.db2.gz MMAWXPZCQATARJ-RBSFLKMASA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@](C)(C[NH3+])NCc1cccc2ccccc21 ZINC000261591974 377823270 /nfs/dbraw/zinc/82/32/70/377823270.db2.gz MGRUSDBLZYDHKE-KRWDZBQOSA-N 1 3 256.393 3.303 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000261957377 377873074 /nfs/dbraw/zinc/87/30/74/377873074.db2.gz OUDQNOSVFRAZQZ-RHSMWYFYSA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000261957377 377873079 /nfs/dbraw/zinc/87/30/79/377873079.db2.gz OUDQNOSVFRAZQZ-RHSMWYFYSA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000261957377 377873085 /nfs/dbraw/zinc/87/30/85/377873085.db2.gz OUDQNOSVFRAZQZ-RHSMWYFYSA-N 1 3 278.415 3.454 20 0 CGADHO CCc1cccc(F)c1CN1CCC(CC[NH2+]C)CC1 ZINC000261958651 377874231 /nfs/dbraw/zinc/87/42/31/377874231.db2.gz OXRCXFFNFHAAHQ-UHFFFAOYSA-N 1 3 278.415 3.210 20 0 CGADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@@]1(C)CC[NH2+]C1 ZINC000262080976 377885349 /nfs/dbraw/zinc/88/53/49/377885349.db2.gz TWALGEPEBHYBQA-KMFMINBZSA-N 1 3 276.399 3.003 20 0 CGADHO COc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc12 ZINC000262405598 377896259 /nfs/dbraw/zinc/89/62/59/377896259.db2.gz CRBSJWLWMNDRKQ-ZBFHGGJFSA-N 1 3 298.430 3.265 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261823148 377857395 /nfs/dbraw/zinc/85/73/95/377857395.db2.gz INXCCGLMKONKSX-BZPMIXESSA-N 1 3 266.816 3.113 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1 ZINC000578053752 378032857 /nfs/dbraw/zinc/03/28/57/378032857.db2.gz YTGIUSQXXQAOSQ-LLLHUVSDSA-N 1 3 264.457 3.441 20 0 CGADHO Cc1nc(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)sc1C ZINC000578348221 378059588 /nfs/dbraw/zinc/05/95/88/378059588.db2.gz ZFCMHFWUFRLMSO-LSDHHAIUSA-N 1 3 287.432 3.037 20 0 CGADHO C[C@H](CCc1ccco1)NCC(C)(C)C[NH+]1CCCC1 ZINC000565397001 322076191 /nfs/dbraw/zinc/07/61/91/322076191.db2.gz ZBNVTTOJGUATRI-OAHLLOKOSA-N 1 3 278.440 3.312 20 0 CGADHO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1C ZINC000271126375 378457709 /nfs/dbraw/zinc/45/77/09/378457709.db2.gz HKHIGVPCMUVTQI-UHFFFAOYSA-N 1 3 290.451 3.167 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000346484256 378592895 /nfs/dbraw/zinc/59/28/95/378592895.db2.gz MVRVXEHGNYNWCO-MAUKXSAKSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000346484256 378592900 /nfs/dbraw/zinc/59/29/00/378592900.db2.gz MVRVXEHGNYNWCO-MAUKXSAKSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@@H]([NH2+]Cc1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272241275 378594476 /nfs/dbraw/zinc/59/44/76/378594476.db2.gz WOVBHQFRFZPWBC-VQIMIIECSA-N 1 3 295.430 3.082 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C12CCC2 ZINC000346857347 378694099 /nfs/dbraw/zinc/69/40/99/378694099.db2.gz GAKFQKGBGDKOMZ-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@@H]1C[C@H](NCC[C@@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000346857347 378694102 /nfs/dbraw/zinc/69/41/02/378694102.db2.gz GAKFQKGBGDKOMZ-IXDOHACOSA-N 1 3 294.483 3.188 20 0 CGADHO C(C1CCSCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104296 378700378 /nfs/dbraw/zinc/70/03/78/378700378.db2.gz GIMWTRFJKZAOLO-INIZCTEOSA-N 1 3 282.497 3.080 20 0 CGADHO C(C1CCSCC1)[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000638104296 378700382 /nfs/dbraw/zinc/70/03/82/378700382.db2.gz GIMWTRFJKZAOLO-INIZCTEOSA-N 1 3 282.497 3.080 20 0 CGADHO C(C1CCSCC1)[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000638104296 378700389 /nfs/dbraw/zinc/70/03/89/378700389.db2.gz GIMWTRFJKZAOLO-INIZCTEOSA-N 1 3 282.497 3.080 20 0 CGADHO CCCCOCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347922423 378730283 /nfs/dbraw/zinc/73/02/83/378730283.db2.gz CLKLUXSTKOYTGU-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347922423 378730286 /nfs/dbraw/zinc/73/02/86/378730286.db2.gz CLKLUXSTKOYTGU-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CCCCOCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347922423 378730288 /nfs/dbraw/zinc/73/02/88/378730288.db2.gz CLKLUXSTKOYTGU-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039924 378761236 /nfs/dbraw/zinc/76/12/36/378761236.db2.gz GDBUPWIPKGRBSL-CPUCHLNUSA-N 1 3 273.424 3.006 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039924 378761243 /nfs/dbraw/zinc/76/12/43/378761243.db2.gz GDBUPWIPKGRBSL-CPUCHLNUSA-N 1 3 273.424 3.006 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)sn1 ZINC000638367360 378781077 /nfs/dbraw/zinc/78/10/77/378781077.db2.gz UOZNTSOHQMHFIW-AWEZNQCLSA-N 1 3 281.469 3.196 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)sn1 ZINC000638367360 378781084 /nfs/dbraw/zinc/78/10/84/378781084.db2.gz UOZNTSOHQMHFIW-AWEZNQCLSA-N 1 3 281.469 3.196 20 0 CGADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000348099283 378791693 /nfs/dbraw/zinc/79/16/93/378791693.db2.gz BAZULKAZVAHHQE-XQLPTFJDSA-N 1 3 250.430 3.028 20 0 CGADHO CCC[N@@H+]1CC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638408431 378793598 /nfs/dbraw/zinc/79/35/98/378793598.db2.gz AYCVVDHUXQGBRU-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO CCC[N@H+]1CC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638408431 378793606 /nfs/dbraw/zinc/79/36/06/378793606.db2.gz AYCVVDHUXQGBRU-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638408431 378793614 /nfs/dbraw/zinc/79/36/14/378793614.db2.gz AYCVVDHUXQGBRU-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO Cc1cc(CNCCCCC[NH+]2CCCCC2)sn1 ZINC000638527989 378826931 /nfs/dbraw/zinc/82/69/31/378826931.db2.gz VBLWFRZNQHRNTJ-UHFFFAOYSA-N 1 3 281.469 3.197 20 0 CGADHO Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346851141 218036253 /nfs/dbraw/zinc/03/62/53/218036253.db2.gz QOALTKPADLMXIQ-AEFFLSMTSA-N 1 3 272.436 3.002 20 0 CGADHO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346851141 218036254 /nfs/dbraw/zinc/03/62/54/218036254.db2.gz QOALTKPADLMXIQ-AEFFLSMTSA-N 1 3 272.436 3.002 20 0 CGADHO c1cc(N2CCC(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)ccn1 ZINC000638836580 378930331 /nfs/dbraw/zinc/93/03/31/378930331.db2.gz IQUMLGQAHBFDIO-KURKYZTESA-N 1 3 299.462 3.324 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)c1C ZINC000346985494 218079575 /nfs/dbraw/zinc/07/95/75/218079575.db2.gz OTPDVJKHUJWYGX-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)c1C ZINC000346985494 218079577 /nfs/dbraw/zinc/07/95/77/218079577.db2.gz OTPDVJKHUJWYGX-AEFFLSMTSA-N 1 3 272.436 3.440 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000347153775 218138789 /nfs/dbraw/zinc/13/87/89/218138789.db2.gz BQFLATHPCIPEJN-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]CCC[C@H]1CCO1 ZINC000639064305 378998471 /nfs/dbraw/zinc/99/84/71/378998471.db2.gz AEBPDVAHDLMZKZ-INIZCTEOSA-N 1 3 282.472 3.190 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000347334682 218193717 /nfs/dbraw/zinc/19/37/17/218193717.db2.gz RYJMOHBPFHIGBD-MRXNPFEDSA-N 1 3 262.441 3.185 20 0 CGADHO Cn1c(C[NH2+]C2CC(N3CCCCC3)C2)cc2ccccc21 ZINC000639123724 379049517 /nfs/dbraw/zinc/04/95/17/379049517.db2.gz DCTVGZPTNGPWDW-UHFFFAOYSA-N 1 3 297.446 3.285 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277103527 379069848 /nfs/dbraw/zinc/06/98/48/379069848.db2.gz GRKJWNDNNVXEPM-HZPDHXFCSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277103527 379069853 /nfs/dbraw/zinc/06/98/53/379069853.db2.gz GRKJWNDNNVXEPM-HZPDHXFCSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1ccccc1[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277103527 379069857 /nfs/dbraw/zinc/06/98/57/379069857.db2.gz GRKJWNDNNVXEPM-HZPDHXFCSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277350457 379137770 /nfs/dbraw/zinc/13/77/70/379137770.db2.gz WRIJPZAJUJRPDM-DOTOQJQBSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277350457 379137776 /nfs/dbraw/zinc/13/77/76/379137776.db2.gz WRIJPZAJUJRPDM-DOTOQJQBSA-N 1 3 260.425 3.472 20 0 CGADHO Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277350457 379137780 /nfs/dbraw/zinc/13/77/80/379137780.db2.gz WRIJPZAJUJRPDM-DOTOQJQBSA-N 1 3 260.425 3.472 20 0 CGADHO CN1CCC([C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000349194151 379184786 /nfs/dbraw/zinc/18/47/86/379184786.db2.gz RFICZPLGTPMYHX-RDJZCZTQSA-N 1 3 262.441 3.006 20 0 CGADHO CN1CCC([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000349194151 379184791 /nfs/dbraw/zinc/18/47/91/379184791.db2.gz RFICZPLGTPMYHX-RDJZCZTQSA-N 1 3 262.441 3.006 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000278074318 379289605 /nfs/dbraw/zinc/28/96/05/379289605.db2.gz NBPUFEZSIUCHEL-ZDUSSCGKSA-N 1 3 276.399 3.351 20 0 CGADHO Cc1ccc([C@H](NCC2=CC[N@H+](C)CC2)C2CCC2)o1 ZINC000349779931 379381229 /nfs/dbraw/zinc/38/12/29/379381229.db2.gz BCISWNLUMNBECL-QGZVFWFLSA-N 1 3 274.408 3.281 20 0 CGADHO Cc1ccc([C@H](NCC2=CC[N@@H+](C)CC2)C2CCC2)o1 ZINC000349779931 379381237 /nfs/dbraw/zinc/38/12/37/379381237.db2.gz BCISWNLUMNBECL-QGZVFWFLSA-N 1 3 274.408 3.281 20 0 CGADHO Cc1ccc([C@@H](C)NCC2CC[NH+](C3CC3)CC2)o1 ZINC000278386336 379369426 /nfs/dbraw/zinc/36/94/26/379369426.db2.gz FMOOKJTUKXHQNO-CYBMUJFWSA-N 1 3 262.397 3.113 20 0 CGADHO Cc1cccc(C[N@@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639681813 379545459 /nfs/dbraw/zinc/54/54/59/379545459.db2.gz ZHXPPEBRVCYYHO-UHFFFAOYSA-N 1 3 281.403 3.102 20 0 CGADHO Cc1cccc(C[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639681813 379545467 /nfs/dbraw/zinc/54/54/67/379545467.db2.gz ZHXPPEBRVCYYHO-UHFFFAOYSA-N 1 3 281.403 3.102 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280805455 379794789 /nfs/dbraw/zinc/79/47/89/379794789.db2.gz LHLRPZVXQHIYDB-XLAORIBOSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000280805455 379794791 /nfs/dbraw/zinc/79/47/91/379794791.db2.gz LHLRPZVXQHIYDB-XLAORIBOSA-N 1 3 270.420 3.149 20 0 CGADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000378546414 379839363 /nfs/dbraw/zinc/83/93/63/379839363.db2.gz DWJJNEWHNJCNNM-WBVHZDCISA-N 1 3 294.483 3.188 20 0 CGADHO c1ccc2c(c1)cccc2CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352527174 379844967 /nfs/dbraw/zinc/84/49/67/379844967.db2.gz XKSMZNMZCYJSDC-LJQANCHMSA-N 1 3 280.415 3.415 20 0 CGADHO COc1c(C)cc(CN2CCCC[C@H]2CC[NH3+])cc1C ZINC000352534285 379846769 /nfs/dbraw/zinc/84/67/69/379846769.db2.gz FAQRGKDXYFMQDE-INIZCTEOSA-N 1 3 276.424 3.015 20 0 CGADHO [NH3+]CCCN(Cc1cccs1)CC1CCCC1 ZINC000352534416 379847043 /nfs/dbraw/zinc/84/70/43/379847043.db2.gz GKUWXKLAPSMKJU-UHFFFAOYSA-N 1 3 252.427 3.089 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1cccc(-c2ccccn2)c1 ZINC000352540988 379848106 /nfs/dbraw/zinc/84/81/06/379848106.db2.gz RYPZLEFNQMFNRC-SFHVURJKSA-N 1 3 295.430 3.452 20 0 CGADHO c1ccc(CCN2CC[C@@H](C[NH2+][C@H]3CCC34CCC4)C2)cc1 ZINC000282189671 379870285 /nfs/dbraw/zinc/87/02/85/379870285.db2.gz NGAGKYWTWZLNPL-OALUTQOASA-N 1 3 298.474 3.473 20 0 CGADHO CC[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000402710553 379972040 /nfs/dbraw/zinc/97/20/40/379972040.db2.gz ULLPAICRKOFUBK-SRVKXCTJSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@@H](C[N@H+](C)CC[C@@H]1CCCN1C)c1ccccc1 ZINC000409445694 380032958 /nfs/dbraw/zinc/03/29/58/380032958.db2.gz HJRDQJULMOAVAL-RDJZCZTQSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@@H](C[N@@H+](C)CC[C@@H]1CCCN1C)c1ccccc1 ZINC000409445694 380032962 /nfs/dbraw/zinc/03/29/62/380032962.db2.gz HJRDQJULMOAVAL-RDJZCZTQSA-N 1 3 260.425 3.206 20 0 CGADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC2(C)C)CC1 ZINC000414221593 380201640 /nfs/dbraw/zinc/20/16/40/380201640.db2.gz MHUKIKNJXPWGSZ-BPUTZDHNSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC2(C)C)CC1 ZINC000414221593 380201643 /nfs/dbraw/zinc/20/16/43/380201643.db2.gz MHUKIKNJXPWGSZ-BPUTZDHNSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000353449709 380208877 /nfs/dbraw/zinc/20/88/77/380208877.db2.gz RONLYFAZRAREQJ-UAGQMJEPSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000353449709 380208883 /nfs/dbraw/zinc/20/88/83/380208883.db2.gz RONLYFAZRAREQJ-UAGQMJEPSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1F ZINC000353449709 380208887 /nfs/dbraw/zinc/20/88/87/380208887.db2.gz RONLYFAZRAREQJ-UAGQMJEPSA-N 1 3 276.399 3.097 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000643476562 380316822 /nfs/dbraw/zinc/31/68/22/380316822.db2.gz OLUZTODMBCYLCI-RFSCMCKOSA-N 1 3 273.424 3.080 20 0 CGADHO CC1(CN[C@H](c2ncc[nH]2)C2CCCCC2)CC[NH2+]CC1 ZINC000643518343 380335350 /nfs/dbraw/zinc/33/53/50/380335350.db2.gz YQKFEXRVDXKSNG-HNNXBMFYSA-N 1 3 290.455 3.010 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457573 380309600 /nfs/dbraw/zinc/30/96/00/380309600.db2.gz NKSFYOWLQQNGAG-XHDPSFHLSA-N 1 3 291.826 3.081 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000643458308 380309810 /nfs/dbraw/zinc/30/98/10/380309810.db2.gz HJVWOFJZCIIVHK-IAGOWNOFSA-N 1 3 260.425 3.116 20 0 CGADHO CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1ccccc1Cl ZINC000643467483 380315019 /nfs/dbraw/zinc/31/50/19/380315019.db2.gz KJKZAIVWHJJZMG-HRCADAONSA-N 1 3 296.842 3.277 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCCC1 ZINC000643548917 380365668 /nfs/dbraw/zinc/36/56/68/380365668.db2.gz XLGJXGFPXQFPLM-CABCVRRESA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643548708 380365679 /nfs/dbraw/zinc/36/56/79/380365679.db2.gz UBPZQOQHOQWFIG-DKIMLUQUSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCCN ZINC000414707495 380381697 /nfs/dbraw/zinc/38/16/97/380381697.db2.gz ODUJRJUVOVCPFN-NEPJUHHUSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCN ZINC000414707495 380381703 /nfs/dbraw/zinc/38/17/03/380381703.db2.gz ODUJRJUVOVCPFN-NEPJUHHUSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCC[NH3+] ZINC000414707495 380381710 /nfs/dbraw/zinc/38/17/10/380381710.db2.gz ODUJRJUVOVCPFN-NEPJUHHUSA-N 1 3 254.805 3.113 20 0 CGADHO C[C@H](Cc1cccs1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523451 380339965 /nfs/dbraw/zinc/33/99/65/380339965.db2.gz KTCBEKDIVKROCS-GFCCVEGCSA-N 1 3 272.417 3.072 20 0 CGADHO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643528690 380344288 /nfs/dbraw/zinc/34/42/88/380344288.db2.gz NCBKSPUCRLIJCV-NWDGAFQWSA-N 1 3 252.427 3.185 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000643534530 380349500 /nfs/dbraw/zinc/34/95/00/380349500.db2.gz XIWGSVWTWXFQMK-GXSJLCMTSA-N 1 3 270.829 3.194 20 0 CGADHO CSc1ccc([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534814 380350134 /nfs/dbraw/zinc/35/01/34/380350134.db2.gz DELANRLGTXJWAP-IAQYHMDHSA-N 1 3 294.439 3.340 20 0 CGADHO NC[C@@H]1CC[N@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414652743 380352504 /nfs/dbraw/zinc/35/25/04/380352504.db2.gz HBTKXKAGHXVDFR-PQUAAJSLSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@@H]1CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000414652743 380352510 /nfs/dbraw/zinc/35/25/10/380352510.db2.gz HBTKXKAGHXVDFR-PQUAAJSLSA-N 1 3 272.436 3.241 20 0 CGADHO Cc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000414663077 380358659 /nfs/dbraw/zinc/35/86/59/380358659.db2.gz AQUCTLICEVOKOG-YDHLFZDLSA-N 1 3 298.352 3.183 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)NCC([NH3+])(CC)CC ZINC000414812435 380424724 /nfs/dbraw/zinc/42/47/24/380424724.db2.gz RGPZDYHVMGYSCS-MRXNPFEDSA-N 1 3 262.441 3.423 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(F)cc1 ZINC000414814948 380426511 /nfs/dbraw/zinc/42/65/11/380426511.db2.gz ZPNHWCCUKMVNDQ-XNRPHZJLSA-N 1 3 264.388 3.036 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)c1 ZINC000414817681 380427870 /nfs/dbraw/zinc/42/78/70/380427870.db2.gz BJVIOHDMHAWRKV-XYJFISCASA-N 1 3 274.452 3.294 20 0 CGADHO COc1ccc2cc(CN[C@H](C)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000414855405 380457702 /nfs/dbraw/zinc/45/77/02/380457702.db2.gz NDAKFUXXVKJJQW-KDOFPFPSSA-N 1 3 298.430 3.326 20 0 CGADHO COc1ccc(CC[C@@H](C)NCC2([NH3+])CCCCC2)cc1 ZINC000414839268 380446215 /nfs/dbraw/zinc/44/62/15/380446215.db2.gz JFSSQXVQRCAXGD-OAHLLOKOSA-N 1 3 290.451 3.268 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)[NH2+]C1CCNCC1 ZINC000414778410 380400936 /nfs/dbraw/zinc/40/09/36/380400936.db2.gz IBPMZKVTDCSORP-SNVBAGLBSA-N 1 3 272.845 3.064 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NC1CC[NH2+]CC1 ZINC000414778410 380400942 /nfs/dbraw/zinc/40/09/42/380400942.db2.gz IBPMZKVTDCSORP-SNVBAGLBSA-N 1 3 272.845 3.064 20 0 CGADHO C[NH2+]C[C@@H](C)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854493 380455831 /nfs/dbraw/zinc/45/58/31/380455831.db2.gz VBUNDMNYGYOJBE-NEPJUHHUSA-N 1 3 288.357 3.254 20 0 CGADHO CNC[C@@H](C)C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854493 380455836 /nfs/dbraw/zinc/45/58/36/380455836.db2.gz VBUNDMNYGYOJBE-NEPJUHHUSA-N 1 3 288.357 3.254 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@@H]2NC[C@H]2CCC[NH2+]2)cc1 ZINC000414854477 380455853 /nfs/dbraw/zinc/45/58/53/380455853.db2.gz ZLOFWOFUGSGAIC-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCCN2)cc1 ZINC000414854477 380455858 /nfs/dbraw/zinc/45/58/58/380455858.db2.gz ZLOFWOFUGSGAIC-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CCCC[C@@H]3C[NH3+])ccc2c1 ZINC000414791483 380407364 /nfs/dbraw/zinc/40/73/64/380407364.db2.gz BHVFNKYAOJLKFP-IEBWSBKVSA-N 1 3 298.430 3.456 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(OCC2CC2)cc1 ZINC000414793422 380408305 /nfs/dbraw/zinc/40/83/05/380408305.db2.gz DIUWRMBEUPPWHU-FUHWJXTLSA-N 1 3 288.435 3.083 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414797238 380410878 /nfs/dbraw/zinc/41/08/78/380410878.db2.gz IKQQCKJRTPIXNG-NXHRZFHOSA-N 1 3 274.452 3.362 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000414802489 380416108 /nfs/dbraw/zinc/41/61/08/380416108.db2.gz IBODVRWPCAJEIA-SJORKVTESA-N 1 3 282.472 3.092 20 0 CGADHO CCCC[C@@H](CN)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414810338 380422420 /nfs/dbraw/zinc/42/24/20/380422420.db2.gz HWXQNQWZIUMILH-ZDUSSCGKSA-N 1 3 258.768 3.086 20 0 CGADHO CCCOc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414809965 380422449 /nfs/dbraw/zinc/42/24/49/380422449.db2.gz UYDAFOYMSQGAII-RDJZCZTQSA-N 1 3 276.424 3.083 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414934688 380496022 /nfs/dbraw/zinc/49/60/22/380496022.db2.gz FLCKTXGOQOJVOX-LAVFITLUSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C)c1cccc(Cl)c1 ZINC000414937688 380498193 /nfs/dbraw/zinc/49/81/93/380498193.db2.gz IANVCKTZVVJLCQ-XUJVJEKNSA-N 1 3 266.816 3.031 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414945447 380500230 /nfs/dbraw/zinc/50/02/30/380500230.db2.gz IITDQZFJLJGRNI-BFYDXBDKSA-N 1 3 274.452 3.473 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867388 380464886 /nfs/dbraw/zinc/46/48/86/380464886.db2.gz ODFIKSHSKVHCKZ-FGTMMUONSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NCC1([NH3+])CCC1 ZINC000414870193 380466898 /nfs/dbraw/zinc/46/68/98/380466898.db2.gz BKKYNGRIUZUAJM-SNVBAGLBSA-N 1 3 272.845 3.194 20 0 CGADHO C[C@H](C[NH3+])CNCc1cc(-c2ccccc2)cs1 ZINC000414884190 380473838 /nfs/dbraw/zinc/47/38/38/380473838.db2.gz VTQXVSMVIAGKLC-GFCCVEGCSA-N 1 3 260.406 3.100 20 0 CGADHO C[C@H](CN)C[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414882855 380474327 /nfs/dbraw/zinc/47/43/27/380474327.db2.gz USXMOWWGGZKLDU-HPUBIQBYSA-N 1 3 260.425 3.145 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000355205872 380622578 /nfs/dbraw/zinc/62/25/78/380622578.db2.gz KTCUSYZOLFTIDE-FCGDIQPGSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000355205872 380622584 /nfs/dbraw/zinc/62/25/84/380622584.db2.gz KTCUSYZOLFTIDE-FCGDIQPGSA-N 1 3 284.447 3.206 20 0 CGADHO C[NH+](C)C1CCC(NCc2cc(F)c(F)cc2F)CC1 ZINC000421368599 380906167 /nfs/dbraw/zinc/90/61/67/380906167.db2.gz GOSFRVNGXJYICL-UHFFFAOYSA-N 1 3 286.341 3.066 20 0 CGADHO CCc1cccnc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000356871617 380911138 /nfs/dbraw/zinc/91/11/38/380911138.db2.gz OTELUDDMQUABDT-AWEZNQCLSA-N 1 3 275.440 3.027 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@@H+](C)C[C@H]3C)cc2c1C ZINC000334781133 207065014 /nfs/dbraw/zinc/06/50/14/207065014.db2.gz SNTAPBXPDVDSTQ-PXAZEXFGSA-N 1 3 285.435 3.215 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cc2c1C ZINC000334781133 207065018 /nfs/dbraw/zinc/06/50/18/207065018.db2.gz SNTAPBXPDVDSTQ-PXAZEXFGSA-N 1 3 285.435 3.215 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000358310791 381302955 /nfs/dbraw/zinc/30/29/55/381302955.db2.gz WZKNDLHBVMMBNV-IDCNUPLLSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCO1 ZINC000358310791 381302966 /nfs/dbraw/zinc/30/29/66/381302966.db2.gz WZKNDLHBVMMBNV-IDCNUPLLSA-N 1 3 294.483 3.187 20 0 CGADHO Cc1cnccc1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358953437 381331935 /nfs/dbraw/zinc/33/19/35/381331935.db2.gz MWTVKHDKZPYWHB-OWCLPIDISA-N 1 3 273.424 3.232 20 0 CGADHO Cc1cnccc1N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358953437 381331939 /nfs/dbraw/zinc/33/19/39/381331939.db2.gz MWTVKHDKZPYWHB-OWCLPIDISA-N 1 3 273.424 3.232 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1(C)CC1 ZINC000359909022 381380439 /nfs/dbraw/zinc/38/04/39/381380439.db2.gz JGYVZKBDLVYMPE-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360430271 381540902 /nfs/dbraw/zinc/54/09/02/381540902.db2.gz WTQASAOEVABJKU-CRAIPNDOSA-N 1 3 290.451 3.043 20 0 CGADHO CCCOCc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360430271 381540908 /nfs/dbraw/zinc/54/09/08/381540908.db2.gz WTQASAOEVABJKU-CRAIPNDOSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1ccc2ccccc2n1 ZINC000360700241 381621883 /nfs/dbraw/zinc/62/18/83/381621883.db2.gz BEZSDGVUNYVKKY-ZRGWGRIASA-N 1 3 297.446 3.096 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1ccc2ccccc2n1 ZINC000360700241 381621890 /nfs/dbraw/zinc/62/18/90/381621890.db2.gz BEZSDGVUNYVKKY-ZRGWGRIASA-N 1 3 297.446 3.096 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1C ZINC000334884639 207242757 /nfs/dbraw/zinc/24/27/57/207242757.db2.gz KUEHHOPQECMZQN-MLGOLLRUSA-N 1 3 285.435 3.357 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1C ZINC000334884639 207242760 /nfs/dbraw/zinc/24/27/60/207242760.db2.gz KUEHHOPQECMZQN-MLGOLLRUSA-N 1 3 285.435 3.357 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2cccs2)C[C@H]1C ZINC000740885043 572466883 /nfs/dbraw/zinc/46/68/83/572466883.db2.gz YKDRNPVQXNSJKK-KGLIPLIRSA-N 1 3 266.454 3.095 20 0 CGADHO CCC1(CC)CN(CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000362247050 381919015 /nfs/dbraw/zinc/91/90/15/381919015.db2.gz YBHAEYPSDBMGHS-AWEZNQCLSA-N 1 3 270.486 3.078 20 0 CGADHO CCC1(CC)CN(CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000362247050 381919022 /nfs/dbraw/zinc/91/90/22/381919022.db2.gz YBHAEYPSDBMGHS-AWEZNQCLSA-N 1 3 270.486 3.078 20 0 CGADHO Cc1nc([C@@H](C)NCC2(C)CC[NH+](C)CC2)c(C)s1 ZINC000227496814 542294038 /nfs/dbraw/zinc/29/40/38/542294038.db2.gz BNNXMUGLBUNIOF-LLVKDONJSA-N 1 3 281.469 3.142 20 0 CGADHO FCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367075651 382331524 /nfs/dbraw/zinc/33/15/24/382331524.db2.gz WGTVKGAJNQXDJP-GOEBONIOSA-N 1 3 268.420 3.075 20 0 CGADHO FCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367075651 382331529 /nfs/dbraw/zinc/33/15/29/382331529.db2.gz WGTVKGAJNQXDJP-GOEBONIOSA-N 1 3 268.420 3.075 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000365881683 382297995 /nfs/dbraw/zinc/29/79/95/382297995.db2.gz MJFVJHOZEKVUGC-BRWVUGGUSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000365881683 382298001 /nfs/dbraw/zinc/29/80/01/382298001.db2.gz MJFVJHOZEKVUGC-BRWVUGGUSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000365881683 382298005 /nfs/dbraw/zinc/29/80/05/382298005.db2.gz MJFVJHOZEKVUGC-BRWVUGGUSA-N 1 3 296.524 3.326 20 0 CGADHO C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000365881683 382298009 /nfs/dbraw/zinc/29/80/09/382298009.db2.gz MJFVJHOZEKVUGC-BRWVUGGUSA-N 1 3 296.524 3.326 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251090128 542345231 /nfs/dbraw/zinc/34/52/31/542345231.db2.gz IEZMBBYJSLXUJN-DGAVXFQQSA-N 1 3 290.373 3.324 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251090128 542345233 /nfs/dbraw/zinc/34/52/33/542345233.db2.gz IEZMBBYJSLXUJN-DGAVXFQQSA-N 1 3 290.373 3.324 20 0 CGADHO CSc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000358035172 533041325 /nfs/dbraw/zinc/04/13/25/533041325.db2.gz NKSMSSPVNFXLGE-ZBFHGGJFSA-N 1 3 290.476 3.325 20 0 CGADHO CSc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000358035172 533041332 /nfs/dbraw/zinc/04/13/32/533041332.db2.gz NKSMSSPVNFXLGE-ZBFHGGJFSA-N 1 3 290.476 3.325 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000353822055 220351458 /nfs/dbraw/zinc/35/14/58/220351458.db2.gz UDMVZIZETSJKSF-GRDNDAEWSA-N 1 3 276.424 3.076 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccc2[nH]1 ZINC000353816855 220348838 /nfs/dbraw/zinc/34/88/38/220348838.db2.gz MVSQWMHKOFPUPO-QXAKKESOSA-N 1 3 297.446 3.439 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccc2[nH]1 ZINC000353816855 220348841 /nfs/dbraw/zinc/34/88/41/220348841.db2.gz MVSQWMHKOFPUPO-QXAKKESOSA-N 1 3 297.446 3.439 20 0 CGADHO COc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000423286140 533130602 /nfs/dbraw/zinc/13/06/02/533130602.db2.gz ZSJROYSICPLBLA-NJZAAPMLSA-N 1 3 280.387 3.002 20 0 CGADHO CCc1cc(NC[C@@H](c2cccc(OC)c2)N(C)C)cc[nH+]1 ZINC000307769292 542422563 /nfs/dbraw/zinc/42/25/63/542422563.db2.gz KTUPWTITTPGORM-SFHVURJKSA-N 1 3 299.418 3.367 20 0 CGADHO Fc1cccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339068081 542485957 /nfs/dbraw/zinc/48/59/57/542485957.db2.gz NCWYLZYAPIZDPL-IRXDYDNUSA-N 1 3 288.410 3.074 20 0 CGADHO Fc1cccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000339068081 542485960 /nfs/dbraw/zinc/48/59/60/542485960.db2.gz NCWYLZYAPIZDPL-IRXDYDNUSA-N 1 3 288.410 3.074 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](C)CN)C(c1ccccc1)c1ccccc1 ZINC000423299407 533409162 /nfs/dbraw/zinc/40/91/62/533409162.db2.gz QBTNYBIJZNFSQE-JKSUJKDBSA-N 1 3 282.431 3.391 20 0 CGADHO C[C@@H](CCCCO)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449430095 533546219 /nfs/dbraw/zinc/54/62/19/533546219.db2.gz WHOKBVQVGQWRGS-SOLBZPMBSA-N 1 3 296.499 3.170 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000423370519 533546478 /nfs/dbraw/zinc/54/64/78/533546478.db2.gz GXMGWEYMDQZAEX-LBTNJELSSA-N 1 3 272.436 3.357 20 0 CGADHO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CCC[NH3+])C1 ZINC000414699205 542638390 /nfs/dbraw/zinc/63/83/90/542638390.db2.gz DMZMKOSJILFZSU-FZMZJTMJSA-N 1 3 286.341 3.437 20 0 CGADHO N[C@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)C1CC1 ZINC000414902447 542639738 /nfs/dbraw/zinc/63/97/38/542639738.db2.gz YHEPGQSIFVGDHQ-GOSISDBHSA-N 1 3 266.388 3.181 20 0 CGADHO C[C@@H](C[NH3+])CNCc1cccc(-c2ccccc2)c1 ZINC000414870730 542639790 /nfs/dbraw/zinc/63/97/90/542639790.db2.gz CGOHOMPDGMWTPU-AWEZNQCLSA-N 1 3 254.377 3.038 20 0 CGADHO CO[C@@H](CNC1CC[NH+](C2CCCC2)CC1)CC(C)C ZINC000417365373 542645013 /nfs/dbraw/zinc/64/50/13/542645013.db2.gz MSGPUFFILXVYDO-QGZVFWFLSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)CC(C)C ZINC000417365373 542645017 /nfs/dbraw/zinc/64/50/17/542645017.db2.gz MSGPUFFILXVYDO-QGZVFWFLSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000089428386 392227744 /nfs/dbraw/zinc/22/77/44/392227744.db2.gz NDJOTPNDDJRAAC-LESCRADOSA-N 1 3 290.426 3.488 20 0 CGADHO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000089428386 392227747 /nfs/dbraw/zinc/22/77/47/392227747.db2.gz NDJOTPNDDJRAAC-LESCRADOSA-N 1 3 290.426 3.488 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000105456234 392289792 /nfs/dbraw/zinc/28/97/92/392289792.db2.gz KEYHNMTVXNCIHN-HNNXBMFYSA-N 1 3 285.435 3.378 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132856565 392461258 /nfs/dbraw/zinc/46/12/58/392461258.db2.gz SYTFOYVNAFUCSO-SUMWQHHRSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132856565 392461261 /nfs/dbraw/zinc/46/12/61/392461261.db2.gz SYTFOYVNAFUCSO-SUMWQHHRSA-N 1 3 276.399 3.087 20 0 CGADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)NCCC[NH+](C)C ZINC000151933006 392490271 /nfs/dbraw/zinc/49/02/71/392490271.db2.gz KREYJMYOXMVTOY-OLZOCXBDSA-N 1 3 291.464 3.330 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398623 392506715 /nfs/dbraw/zinc/50/67/15/392506715.db2.gz WZZLPHPVKTZSLD-KSSFIOAISA-N 1 3 288.435 3.220 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(OC)c1 ZINC000152398623 392506724 /nfs/dbraw/zinc/50/67/24/392506724.db2.gz WZZLPHPVKTZSLD-KSSFIOAISA-N 1 3 288.435 3.220 20 0 CGADHO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301270744 392586987 /nfs/dbraw/zinc/58/69/87/392586987.db2.gz QSOQUOKWQAJFMT-AWEZNQCLSA-N 1 3 269.392 3.074 20 0 CGADHO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301712300 392596878 /nfs/dbraw/zinc/59/68/78/392596878.db2.gz LEFULFYKDNENOB-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301712300 392596881 /nfs/dbraw/zinc/59/68/81/392596881.db2.gz LEFULFYKDNENOB-CRAIPNDOSA-N 1 3 295.430 3.464 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccncc1 ZINC000647283526 392634854 /nfs/dbraw/zinc/63/48/54/392634854.db2.gz CWVZUQLBUNSADD-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1ccncc1 ZINC000647283528 392635853 /nfs/dbraw/zinc/63/58/53/392635853.db2.gz CWVZUQLBUNSADD-SJLPKXTDSA-N 1 3 289.467 3.490 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)CC1 ZINC000334555359 392735817 /nfs/dbraw/zinc/73/58/17/392735817.db2.gz DLRDHMZKWGSMAW-AWEZNQCLSA-N 1 3 274.399 3.228 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)CC1 ZINC000334555359 392735822 /nfs/dbraw/zinc/73/58/22/392735822.db2.gz DLRDHMZKWGSMAW-AWEZNQCLSA-N 1 3 274.399 3.228 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CC2CCC(F)(F)CC2)CC1 ZINC000334555359 392735826 /nfs/dbraw/zinc/73/58/26/392735826.db2.gz DLRDHMZKWGSMAW-AWEZNQCLSA-N 1 3 274.399 3.228 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482469 392738087 /nfs/dbraw/zinc/73/80/87/392738087.db2.gz HRGAQTXENMUSDB-YJBOKZPZSA-N 1 3 270.420 3.007 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@@H](c2ccccc2)C(C)C)CC[C@@H]1N ZINC000647497484 392740949 /nfs/dbraw/zinc/74/09/49/392740949.db2.gz JHEIURBFCNZBIJ-NXHRZFHOSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@@H](c2ccccc2)C(C)C)CC[C@@H]1N ZINC000647497484 392740950 /nfs/dbraw/zinc/74/09/50/392740950.db2.gz JHEIURBFCNZBIJ-NXHRZFHOSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@@H]1CN(C[C@@H](c2ccccc2)C(C)C)CC[C@@H]1[NH3+] ZINC000647497484 392740952 /nfs/dbraw/zinc/74/09/52/392740952.db2.gz JHEIURBFCNZBIJ-NXHRZFHOSA-N 1 3 274.452 3.485 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@H](N)[C@H](CC)C1)c1ccccc1 ZINC000647499103 392742718 /nfs/dbraw/zinc/74/27/18/392742718.db2.gz ZLRARPYHVRDYBO-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@H](N)[C@H](CC)C1)c1ccccc1 ZINC000647499103 392742721 /nfs/dbraw/zinc/74/27/21/392742721.db2.gz ZLRARPYHVRDYBO-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@H](CN1CC[C@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000647499103 392742724 /nfs/dbraw/zinc/74/27/24/392742724.db2.gz ZLRARPYHVRDYBO-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)Cc1cccc2cnccc21 ZINC000647505934 392744501 /nfs/dbraw/zinc/74/45/01/392744501.db2.gz QVLLJFWYSOIEOR-QGZVFWFLSA-N 1 3 271.408 3.040 20 0 CGADHO Fc1ccccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543293 392761057 /nfs/dbraw/zinc/76/10/57/392761057.db2.gz KQKNZIJJSSEGFE-CABCVRRESA-N 1 3 276.399 3.037 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000181149889 392722084 /nfs/dbraw/zinc/72/20/84/392722084.db2.gz UEMUIDJGZGYYAS-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1cccc(CCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000181149889 392722093 /nfs/dbraw/zinc/72/20/93/392722093.db2.gz UEMUIDJGZGYYAS-RTBURBONSA-N 1 3 286.463 3.344 20 0 CGADHO CC[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000647936949 392837970 /nfs/dbraw/zinc/83/79/70/392837970.db2.gz NZNGBHMWLOXYLF-APWZRJJASA-N 1 3 282.431 3.442 20 0 CGADHO CC[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N ZINC000647936949 392837974 /nfs/dbraw/zinc/83/79/74/392837974.db2.gz NZNGBHMWLOXYLF-APWZRJJASA-N 1 3 282.431 3.442 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NC1(c2cccc(Cl)c2)CCC1 ZINC000647804464 392804470 /nfs/dbraw/zinc/80/44/70/392804470.db2.gz RNNOKYSADRFWPP-NEPJUHHUSA-N 1 3 266.816 3.435 20 0 CGADHO [NH3+]Cc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000647803312 392805131 /nfs/dbraw/zinc/80/51/31/392805131.db2.gz UBGXOZREICHZLX-KRWDZBQOSA-N 1 3 270.351 3.062 20 0 CGADHO CCCN(C[C@@H]1CC[NH2+]C1)[C@H](CC)c1ccccc1 ZINC000647878616 392821358 /nfs/dbraw/zinc/82/13/58/392821358.db2.gz UBBOOFTYFKTBDP-NVXWUHKLSA-N 1 3 260.425 3.459 20 0 CGADHO CN(C)CC1(C[NH2+]Cc2scnc2C2CC2)CCCC1 ZINC000487554836 542712306 /nfs/dbraw/zinc/71/23/06/542712306.db2.gz FMABQJFEVSUZBR-UHFFFAOYSA-N 1 3 293.480 3.232 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)c2ccccc21 ZINC000390880787 392928099 /nfs/dbraw/zinc/92/80/99/392928099.db2.gz SYLAIJQZCZYXRN-ZLKJLUDKSA-N 1 3 266.335 3.156 20 0 CGADHO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000230663884 393025236 /nfs/dbraw/zinc/02/52/36/393025236.db2.gz HCUZTYGPODRIFQ-HUUCEWRRSA-N 1 3 273.424 3.076 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccc(F)cc1Cl ZINC000415010313 393093055 /nfs/dbraw/zinc/09/30/55/393093055.db2.gz GFGWILUPGSYBMS-SNVBAGLBSA-N 1 3 258.768 3.086 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1c(Cl)cccc1N1CCCC1 ZINC000415019370 393099548 /nfs/dbraw/zinc/09/95/48/393099548.db2.gz IFTIASGIENLXKP-ZDUSSCGKSA-N 1 3 295.858 3.157 20 0 CGADHO COc1cccc(Cl)c1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415020501 393099601 /nfs/dbraw/zinc/09/96/01/393099601.db2.gz GNTCRKFEYZRNJG-JOCQHMNTSA-N 1 3 296.842 3.203 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1ncc(-c2ccccc2)s1 ZINC000415019339 393100325 /nfs/dbraw/zinc/10/03/25/393100325.db2.gz ICATVSLZVLLLNX-LBPRGKRZSA-N 1 3 275.421 3.027 20 0 CGADHO C[C@H](CCC[NH3+])NCc1cc(Cl)ccc1OC(F)F ZINC000415024252 393101615 /nfs/dbraw/zinc/10/16/15/393101615.db2.gz OPCPVCJQMVTNIL-SECBINFHSA-N 1 3 292.757 3.158 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC000414945777 393058064 /nfs/dbraw/zinc/05/80/64/393058064.db2.gz IVVPKAVOVZRXNT-WMLDXEAASA-N 1 3 260.425 3.083 20 0 CGADHO CC(C)c1ccc(CCN[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414945777 393058070 /nfs/dbraw/zinc/05/80/70/393058070.db2.gz IVVPKAVOVZRXNT-WMLDXEAASA-N 1 3 260.425 3.083 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1cccc(Cl)c1 ZINC000414956762 393064852 /nfs/dbraw/zinc/06/48/52/393064852.db2.gz VPJBUBRGMWYVJL-LALPHHSUSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@H](CN[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1 ZINC000414956762 393064857 /nfs/dbraw/zinc/06/48/57/393064857.db2.gz VPJBUBRGMWYVJL-LALPHHSUSA-N 1 3 266.816 3.174 20 0 CGADHO CC(C)(C)c1nc(CNCCC[C@@H]2CCC[NH2+]2)cs1 ZINC000414961641 393066813 /nfs/dbraw/zinc/06/68/13/393066813.db2.gz BLWHHMJUCCTJIP-GFCCVEGCSA-N 1 3 281.469 3.062 20 0 CGADHO CC(C)(C)c1cnc(CNCCC[C@@H]2CCC[NH2+]2)s1 ZINC000414970547 393073995 /nfs/dbraw/zinc/07/39/95/393073995.db2.gz VANUDFXMKVXERB-GFCCVEGCSA-N 1 3 281.469 3.062 20 0 CGADHO CC(C)(C)[C@@H](CN)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000415050405 393112472 /nfs/dbraw/zinc/11/24/72/393112472.db2.gz CIOJASWHVATAJQ-GFCCVEGCSA-N 1 3 295.477 3.335 20 0 CGADHO C[C@H]1CN(C2c3ccccc3-c3ccccc32)CC[C@H]1[NH3+] ZINC000251764483 393120224 /nfs/dbraw/zinc/12/02/24/393120224.db2.gz LZTHQTLYIIAOML-SCLBCKFNSA-N 1 3 278.399 3.426 20 0 CGADHO CCC[C@@H](C[NH2+]CCCNC1CC1)c1ccccc1 ZINC000415073417 393130421 /nfs/dbraw/zinc/13/04/21/393130421.db2.gz YKUUXGLHWBFXCG-INIZCTEOSA-N 1 3 260.425 3.302 20 0 CGADHO CC(C)([NH3+])CNCC(c1ccccc1)c1ccccc1 ZINC000415088290 393140507 /nfs/dbraw/zinc/14/05/07/393140507.db2.gz WGFINCNVAGPTTF-UHFFFAOYSA-N 1 3 268.404 3.145 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415095296 393142400 /nfs/dbraw/zinc/14/24/00/393142400.db2.gz ZJNWHIIPLMHZQW-UAGQMJEPSA-N 1 3 292.854 3.393 20 0 CGADHO C[C@H](N[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000415100781 393145217 /nfs/dbraw/zinc/14/52/17/393145217.db2.gz IASWVAXVZIYYNH-LXZKKBNFSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCc2ccccc21)[C@@H]1CCCNC1 ZINC000415100781 393145220 /nfs/dbraw/zinc/14/52/20/393145220.db2.gz IASWVAXVZIYYNH-LXZKKBNFSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3cccc(Cl)c3C2)CC[NH2+]1 ZINC000415116110 393148754 /nfs/dbraw/zinc/14/87/54/393148754.db2.gz VSDSAZYIBWZEKQ-CHWSQXEVSA-N 1 3 278.827 3.086 20 0 CGADHO CCCc1cccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415127371 393152565 /nfs/dbraw/zinc/15/25/65/393152565.db2.gz MUUKQKLDFFRNAR-YOEHRIQHSA-N 1 3 260.425 3.056 20 0 CGADHO Cc1cc2cc(CN3C[C@@H](C[NH3+])C[C@@H]3C)oc2cc1C ZINC000469857915 393221775 /nfs/dbraw/zinc/22/17/75/393221775.db2.gz YZXIRJWKOHZNBT-UONOGXRCSA-N 1 3 272.392 3.219 20 0 CGADHO Cc1cccc([C@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420380995 393480087 /nfs/dbraw/zinc/48/00/87/393480087.db2.gz ROOCRCZHNISRGJ-DOTOQJQBSA-N 1 3 258.409 3.132 20 0 CGADHO CCN(CCC[NH+]1CCCC1)CC1(SC)CCC1 ZINC000356326833 393421285 /nfs/dbraw/zinc/42/12/85/393421285.db2.gz XSKWFBLBHLWKSD-UHFFFAOYSA-N 1 3 270.486 3.080 20 0 CGADHO C[C@H](c1c(F)cccc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333222 393469548 /nfs/dbraw/zinc/46/95/48/393469548.db2.gz SMOOQYLYGOYHNZ-HZSPNIEDSA-N 1 3 294.389 3.347 20 0 CGADHO Cc1ccc(SCC[NH2+][C@H]2CCNCC2(C)C)cc1C ZINC000420364843 393474278 /nfs/dbraw/zinc/47/42/78/393474278.db2.gz PIYIUGTZCMCUTJ-INIZCTEOSA-N 1 3 292.492 3.373 20 0 CGADHO CC1CCC(C[N@@H+]2CCC[C@H](N(C)C)CC2)CC1 ZINC000429541205 393477877 /nfs/dbraw/zinc/47/78/77/393477877.db2.gz VMMHCCPXKFETCT-GPANFISMSA-N 1 3 252.446 3.229 20 0 CGADHO CC1CCC(C[N@H+]2CCC[C@H](N(C)C)CC2)CC1 ZINC000429541205 393477879 /nfs/dbraw/zinc/47/78/79/393477879.db2.gz VMMHCCPXKFETCT-GPANFISMSA-N 1 3 252.446 3.229 20 0 CGADHO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](C)N)C(C)C ZINC000420412721 393485604 /nfs/dbraw/zinc/48/56/04/393485604.db2.gz SORKUAVFRYLURB-ABAIWWIYSA-N 1 3 260.381 3.375 20 0 CGADHO Cc1ccc(SCCN[C@@](C)(C[NH3+])C(C)C)cc1C ZINC000430562387 393577381 /nfs/dbraw/zinc/57/73/81/393577381.db2.gz QZAPLHPMQFSDLF-INIZCTEOSA-N 1 3 280.481 3.359 20 0 CGADHO CCCC1CCC(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000666856381 542820719 /nfs/dbraw/zinc/82/07/19/542820719.db2.gz FTNHUGYUMSZIPD-UYSNPLJNSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCNCC1)CC1CCCCC1 ZINC000666856532 542820972 /nfs/dbraw/zinc/82/09/72/542820972.db2.gz NVVMFIXQVPXWRV-GOEBONIOSA-N 1 3 252.446 3.325 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCCNCC2)cc1 ZINC000666857603 542821890 /nfs/dbraw/zinc/82/18/90/542821890.db2.gz AJXWGZLTZZBFST-YESZJQIVSA-N 1 3 276.399 3.194 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422756703 393642124 /nfs/dbraw/zinc/64/21/24/393642124.db2.gz HWKPFMBEHAJTNF-XJKSGUPXSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC(C)(C)c1cccc(F)c1 ZINC000422756703 393642127 /nfs/dbraw/zinc/64/21/27/393642127.db2.gz HWKPFMBEHAJTNF-XJKSGUPXSA-N 1 3 278.415 3.081 20 0 CGADHO Clc1cccc(Cl)c1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422746227 393642826 /nfs/dbraw/zinc/64/28/26/393642826.db2.gz ZDIACLNGJLSSAV-FOSCPWQOSA-N 1 3 299.245 3.409 20 0 CGADHO CC(C)C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423048256 393648953 /nfs/dbraw/zinc/64/89/53/393648953.db2.gz WJSRSORMOODETR-KNCCTNLNSA-N 1 3 288.435 3.315 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCc2ccc(F)cc21 ZINC000423090102 393650240 /nfs/dbraw/zinc/65/02/40/393650240.db2.gz WVNQQFGYDCAVEP-OAUYIBNBSA-N 1 3 276.399 3.181 20 0 CGADHO CC(C)(N)C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423289971 393659025 /nfs/dbraw/zinc/65/90/25/393659025.db2.gz YUGFBPFIVMHZRE-ZDUSSCGKSA-N 1 3 297.240 3.153 20 0 CGADHO CC1(C)CC[C@@H]([NH2+]C[C@H](N)C2CC2)c2ccccc21 ZINC000423312855 393661246 /nfs/dbraw/zinc/66/12/46/393661246.db2.gz DVYDVEXVKXPRRC-JKSUJKDBSA-N 1 3 258.409 3.126 20 0 CGADHO CC(C)[C@@H]1C[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)CCO1 ZINC000491002873 393662426 /nfs/dbraw/zinc/66/24/26/393662426.db2.gz CZNOFRBQCCPIDM-WBVHZDCISA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995038 542832862 /nfs/dbraw/zinc/83/28/62/542832862.db2.gz AZFJUHMNAHNTBK-SJORKVTESA-N 1 3 272.436 3.272 20 0 CGADHO C[N@H+](CCCCNCc1cc(F)c(F)cc1F)C1CC1 ZINC000453597004 394253243 /nfs/dbraw/zinc/25/32/43/394253243.db2.gz MTOIUVZDUCPSLV-UHFFFAOYSA-N 1 3 286.341 3.068 20 0 CGADHO C[N@@H+](CCCCNCc1cc(F)c(F)cc1F)C1CC1 ZINC000453597004 394253247 /nfs/dbraw/zinc/25/32/47/394253247.db2.gz MTOIUVZDUCPSLV-UHFFFAOYSA-N 1 3 286.341 3.068 20 0 CGADHO COC(C)(C)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000469597881 292054872 /nfs/dbraw/zinc/05/48/72/292054872.db2.gz ZVJMQULOANJPHH-QGZVFWFLSA-N 1 3 296.499 3.390 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264874 543147127 /nfs/dbraw/zinc/14/71/27/543147127.db2.gz MDYHRUCAAFJJRN-CABCVRRESA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264874 543147129 /nfs/dbraw/zinc/14/71/29/543147129.db2.gz MDYHRUCAAFJJRN-CABCVRRESA-N 1 3 252.446 3.086 20 0 CGADHO C[C@@H](C[NH2+]CC(C)(C)CN1CCCC1)C(C)(C)C ZINC000670269928 543150037 /nfs/dbraw/zinc/15/00/37/543150037.db2.gz AKGLSADUFWMQSH-AWEZNQCLSA-N 1 3 254.462 3.380 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cc2ccccc2s1 ZINC000334361852 397682389 /nfs/dbraw/zinc/68/23/89/397682389.db2.gz CFHZETRZBUMNSC-SWLSCSKDSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cc2ccccc2s1 ZINC000334361852 397682391 /nfs/dbraw/zinc/68/23/91/397682391.db2.gz CFHZETRZBUMNSC-SWLSCSKDSA-N 1 3 274.433 3.331 20 0 CGADHO COC1(C[C@H](C)[NH2+]C2CC(C)(C)NC(C)(C)C2)CCC1 ZINC000429372906 292125170 /nfs/dbraw/zinc/12/51/70/292125170.db2.gz OZFGFXVLRQEGQE-ZDUSSCGKSA-N 1 3 282.472 3.233 20 0 CGADHO [NH3+]CC1(CCNCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000650712430 397899621 /nfs/dbraw/zinc/89/96/21/397899621.db2.gz CSHNTUDPNCDONB-UHFFFAOYSA-N 1 3 290.304 3.063 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1ccc(C)s1 ZINC000650718176 397901459 /nfs/dbraw/zinc/90/14/59/397901459.db2.gz ALOARZIEOYUATK-UHFFFAOYSA-N 1 3 260.406 3.066 20 0 CGADHO Cc1ccccc1C1(N[C@@H](C)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000650739994 397904146 /nfs/dbraw/zinc/90/41/46/397904146.db2.gz DKZMBEXMCZZRLX-JKSUJKDBSA-N 1 3 272.436 3.352 20 0 CGADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc2ccsc21 ZINC000650740711 397904267 /nfs/dbraw/zinc/90/42/67/397904267.db2.gz OVWDVJWKPCGHEG-OCCSQVGLSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650740711 397904271 /nfs/dbraw/zinc/90/42/71/397904271.db2.gz OVWDVJWKPCGHEG-OCCSQVGLSA-N 1 3 260.406 3.118 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650753930 397909035 /nfs/dbraw/zinc/90/90/35/397909035.db2.gz YMCDBCIAAXEGNR-XIKOKIGWSA-N 1 3 284.378 3.308 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752220 543360915 /nfs/dbraw/zinc/36/09/15/543360915.db2.gz OBTKARBVFHWXMQ-ILXRZTDVSA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752220 543360916 /nfs/dbraw/zinc/36/09/16/543360916.db2.gz OBTKARBVFHWXMQ-ILXRZTDVSA-N 1 3 278.465 3.286 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000675752220 543360918 /nfs/dbraw/zinc/36/09/18/543360918.db2.gz OBTKARBVFHWXMQ-ILXRZTDVSA-N 1 3 278.465 3.286 20 0 CGADHO C[C@H](NCc1coc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000675904114 543372579 /nfs/dbraw/zinc/37/25/79/543372579.db2.gz PIVATZRDDHUQQL-AWEZNQCLSA-N 1 3 299.418 3.162 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000678079338 543482257 /nfs/dbraw/zinc/48/22/57/543482257.db2.gz LKUJNGYQODQINI-MRXNPFEDSA-N 1 3 276.399 3.279 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(C)n1 ZINC000678413348 543521730 /nfs/dbraw/zinc/52/17/30/543521730.db2.gz HJGFOXIBTQZFQH-ZBFHGGJFSA-N 1 3 289.467 3.471 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000678930323 543574083 /nfs/dbraw/zinc/57/40/83/543574083.db2.gz HVMAXAMDYGIZTF-RDTXWAMCSA-N 1 3 270.420 3.162 20 0 CGADHO COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCCC1 ZINC000423170526 292247785 /nfs/dbraw/zinc/24/77/85/292247785.db2.gz YBPJHBNJCBXALN-GVDBMIGSSA-N 1 3 294.483 3.094 20 0 CGADHO COc1ccc(Cl)cc1[C@@H](C)NCCCC[NH+](C)C ZINC000269001192 286318122 /nfs/dbraw/zinc/31/81/22/286318122.db2.gz LPDYLKAXEXAOSC-GFCCVEGCSA-N 1 3 284.831 3.341 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423389799 286386673 /nfs/dbraw/zinc/38/66/73/286386673.db2.gz OKFZNKVWRABQJB-XNJGSVPQSA-N 1 3 288.435 3.277 20 0 CGADHO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@H]2C)cc1Cl ZINC000090468970 165236390 /nfs/dbraw/zinc/23/63/90/165236390.db2.gz XEGXUMWIIHOYCX-XUJVJEKNSA-N 1 3 296.842 3.167 20 0 CGADHO CCOc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093213607 165324769 /nfs/dbraw/zinc/32/47/69/165324769.db2.gz JPPSLBGVBZUDOZ-QEJZJMRPSA-N 1 3 262.397 3.006 20 0 CGADHO CCc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461636 165329988 /nfs/dbraw/zinc/32/99/88/165329988.db2.gz DGJREHZYNUWBJG-FGTMMUONSA-N 1 3 272.436 3.259 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccnc3ccccc23)C1 ZINC000111763631 287136972 /nfs/dbraw/zinc/13/69/72/287136972.db2.gz OZWVZDMFOUNTFJ-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCc2ccnc3ccccc23)C1 ZINC000111763631 287136974 /nfs/dbraw/zinc/13/69/74/287136974.db2.gz OZWVZDMFOUNTFJ-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000111763631 287136977 /nfs/dbraw/zinc/13/69/77/287136977.db2.gz OZWVZDMFOUNTFJ-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)N1CCC([NH3+])CC1 ZINC000020521487 287141410 /nfs/dbraw/zinc/14/14/10/287141410.db2.gz BZAWIAGXZURKJJ-ZDUSSCGKSA-N 1 3 254.377 3.324 20 0 CGADHO CCCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000262089193 165849119 /nfs/dbraw/zinc/84/91/19/165849119.db2.gz UPIPHJOTHQTQDF-ZWKOTPCHSA-N 1 3 272.436 3.386 20 0 CGADHO CC(C)CCOCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000119516020 287170585 /nfs/dbraw/zinc/17/05/85/287170585.db2.gz QBVRSLYUYDGEOA-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000193127740 287219255 /nfs/dbraw/zinc/21/92/55/287219255.db2.gz KIHBUTLLQMJDMY-WCXIOVBPSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)c1cccc(Cl)c1 ZINC000020129116 171017090 /nfs/dbraw/zinc/01/70/90/171017090.db2.gz AZEFWRZFNJGSDU-ZDUSSCGKSA-N 1 3 266.816 3.477 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NC[C@@H](C)C[NH+]1CCCC1)CC2 ZINC000126566914 287267678 /nfs/dbraw/zinc/26/76/78/287267678.db2.gz GWIQCDXFGXDOJR-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)CC2 ZINC000126566914 287267681 /nfs/dbraw/zinc/26/76/81/287267681.db2.gz GWIQCDXFGXDOJR-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H](c1ccccc1Br)N1CCC(C[NH3+])CC1 ZINC000044511669 175187760 /nfs/dbraw/zinc/18/77/60/175187760.db2.gz SROLWYHFSMMZON-NSHDSACASA-N 1 3 297.240 3.181 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423223290 298960627 /nfs/dbraw/zinc/96/06/27/298960627.db2.gz FTGPFNLMRMGSPQ-QPUJVOFHSA-N 1 3 273.207 3.308 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1ccc(Cl)s1 ZINC000226350944 416522160 /nfs/dbraw/zinc/52/21/60/416522160.db2.gz XJFCCFKPPHSVJJ-WDEREUQCSA-N 1 3 272.845 3.064 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)CN1CCCCC1 ZINC000129492139 287333390 /nfs/dbraw/zinc/33/33/90/287333390.db2.gz FRYRXRZDMQEAAP-GJZGRUSLSA-N 1 3 252.446 3.277 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000132165362 287398471 /nfs/dbraw/zinc/39/84/71/287398471.db2.gz YDEKCKGCDKTIJU-MRXNPFEDSA-N 1 3 292.492 3.194 20 0 CGADHO c1cc2cc(C[NH2+]C3CC(N4CCCCC4)C3)ccc2cn1 ZINC000684425627 543998719 /nfs/dbraw/zinc/99/87/19/543998719.db2.gz AHZMOBFIINONMZ-UHFFFAOYSA-N 1 3 295.430 3.341 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)C/C=C/c2ccc(F)c(F)c2)C1 ZINC000685410743 544066082 /nfs/dbraw/zinc/06/60/82/544066082.db2.gz LAYATAWLAVHUTC-UJAVWCLSSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccc(F)c(F)c2)C1 ZINC000685410743 544066086 /nfs/dbraw/zinc/06/60/86/544066086.db2.gz LAYATAWLAVHUTC-UJAVWCLSSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@H](C[N@H+](C)C/C=C/c2ccc(F)c(F)c2)C1 ZINC000685410742 544066402 /nfs/dbraw/zinc/06/64/02/544066402.db2.gz LAYATAWLAVHUTC-SJDLMVEWSA-N 1 3 294.389 3.252 20 0 CGADHO CN1CCC[C@H](C[N@@H+](C)C/C=C/c2ccc(F)c(F)c2)C1 ZINC000685410742 544066406 /nfs/dbraw/zinc/06/64/06/544066406.db2.gz LAYATAWLAVHUTC-SJDLMVEWSA-N 1 3 294.389 3.252 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417968069 227273952 /nfs/dbraw/zinc/27/39/52/227273952.db2.gz WGGOBKOYTXDYEG-XSLAGTTESA-N 1 3 272.436 3.253 20 0 CGADHO CC[C@H](OCC[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000650741595 418935972 /nfs/dbraw/zinc/93/59/72/418935972.db2.gz GYWYFVHMNOEQFX-KURKYZTESA-N 1 3 290.451 3.261 20 0 CGADHO CC[C@H](OCCN[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000650741595 418935974 /nfs/dbraw/zinc/93/59/74/418935974.db2.gz GYWYFVHMNOEQFX-KURKYZTESA-N 1 3 290.451 3.261 20 0 CGADHO CO[C@H](CNC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000658329258 418936620 /nfs/dbraw/zinc/93/66/20/418936620.db2.gz KIRYNPPRFJJTFU-GOSISDBHSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@H](NCCC[N@H+](CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237304 418939713 /nfs/dbraw/zinc/93/97/13/418939713.db2.gz KQWUTJWKLDMVDE-WMZOPIPTSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@H](NCCC[N@@H+](CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237304 418939714 /nfs/dbraw/zinc/93/97/14/418939714.db2.gz KQWUTJWKLDMVDE-WMZOPIPTSA-N 1 3 296.499 3.436 20 0 CGADHO CC[C@H]([NH2+]CCCN(CC)C1CCCCC1)[C@H]1CCOC1 ZINC000652237304 418939716 /nfs/dbraw/zinc/93/97/16/418939716.db2.gz KQWUTJWKLDMVDE-WMZOPIPTSA-N 1 3 296.499 3.436 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929252 419036600 /nfs/dbraw/zinc/03/66/00/419036600.db2.gz YHBUGMUITMGLLA-MRXNPFEDSA-N 1 3 274.452 3.368 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2)C1 ZINC000659929252 419036603 /nfs/dbraw/zinc/03/66/03/419036603.db2.gz YHBUGMUITMGLLA-MRXNPFEDSA-N 1 3 274.452 3.368 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659974155 419048973 /nfs/dbraw/zinc/04/89/73/419048973.db2.gz LISZMGSNHBKPQF-VSZNYVQBSA-N 1 3 276.468 3.086 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659974155 419048976 /nfs/dbraw/zinc/04/89/76/419048976.db2.gz LISZMGSNHBKPQF-VSZNYVQBSA-N 1 3 276.468 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659975459 419049075 /nfs/dbraw/zinc/04/90/75/419049075.db2.gz LQOIXSSGOYFJLD-TWMKSMIVSA-N 1 3 264.457 3.086 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659975459 419049078 /nfs/dbraw/zinc/04/90/78/419049078.db2.gz LQOIXSSGOYFJLD-TWMKSMIVSA-N 1 3 264.457 3.086 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655734636 419081550 /nfs/dbraw/zinc/08/15/50/419081550.db2.gz LHKSAEYIDKWWJF-ARFHVFGLSA-N 1 3 284.513 3.228 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237593 419088927 /nfs/dbraw/zinc/08/89/27/419088927.db2.gz FGDUAZMTIUQHFA-HUUCEWRRSA-N 1 3 258.365 3.182 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244194 419089900 /nfs/dbraw/zinc/08/99/00/419089900.db2.gz IHGJLRVJKBLJTG-BBEJJTJUSA-N 1 3 295.430 3.228 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665247487 419089952 /nfs/dbraw/zinc/08/99/52/419089952.db2.gz CWTVAAQOQKCUTK-CVEARBPZSA-N 1 3 272.436 3.430 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)NCC2([NH3+])CCCC2)cc1 ZINC000665249561 419091685 /nfs/dbraw/zinc/09/16/85/419091685.db2.gz SUFZWCGSMRDXKU-KBPBESRZSA-N 1 3 276.424 3.048 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1C(C)(C)C1(F)F ZINC000665274419 419098324 /nfs/dbraw/zinc/09/83/24/419098324.db2.gz PWSOPKYPEDWXNY-AGIUHOORSA-N 1 3 274.399 3.178 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1nsc2ccccc21 ZINC000665275715 419099377 /nfs/dbraw/zinc/09/93/77/419099377.db2.gz PUYXEQRUWPFALH-HIFRSBDPSA-N 1 3 289.448 3.088 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]2[NH2+]CC23CC(C2)CN3)cc1 ZINC000665277970 419099634 /nfs/dbraw/zinc/09/96/34/419099634.db2.gz RHLITGRMZIWGHZ-FFDQMNFHSA-N 1 3 270.420 3.054 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275617 419099652 /nfs/dbraw/zinc/09/96/52/419099652.db2.gz NWTPDVFASDAMOT-XMTFNYHQSA-N 1 3 294.483 3.092 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H]2CCc3ccc(F)c(Cl)c32)C1 ZINC000655803729 419100386 /nfs/dbraw/zinc/10/03/86/419100386.db2.gz XEMKSOPWAXTWTL-SUHUHFCYSA-N 1 3 296.817 3.396 20 0 CGADHO CC[C@@H](Cc1cccs1)NCC[C@@H]([NH3+])C(C)C ZINC000665281301 419102631 /nfs/dbraw/zinc/10/26/31/419102631.db2.gz ZIHVYCUCIMCWCA-GXTWGEPZSA-N 1 3 254.443 3.032 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+]CC[C@@H](N)C(C)C ZINC000665281301 419102633 /nfs/dbraw/zinc/10/26/33/419102633.db2.gz ZIHVYCUCIMCWCA-GXTWGEPZSA-N 1 3 254.443 3.032 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)C(C)(C)c1ccccc1 ZINC000665281294 419102893 /nfs/dbraw/zinc/10/28/93/419102893.db2.gz ZFYIZQOWFQNXIM-GOEBONIOSA-N 1 3 262.441 3.316 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000665281294 419102896 /nfs/dbraw/zinc/10/28/96/419102896.db2.gz ZFYIZQOWFQNXIM-GOEBONIOSA-N 1 3 262.441 3.316 20 0 CGADHO COc1cccc2c1CCC[C@H]2NCC[C@@H]([NH3+])C(C)C ZINC000665282341 419102963 /nfs/dbraw/zinc/10/29/63/419102963.db2.gz VZXDZPLTTRZCRC-HZPDHXFCSA-N 1 3 276.424 3.036 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1coc2ccccc12 ZINC000665282463 419103374 /nfs/dbraw/zinc/10/33/74/419103374.db2.gz YTQZMTDKBGJLGX-XJKSGUPXSA-N 1 3 274.408 3.327 20 0 CGADHO C[C@H]([NH2+]CCC1CCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000660257486 419114841 /nfs/dbraw/zinc/11/48/41/419114841.db2.gz UIGXXRBZOBQZEA-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](OC)C2CCCCC2)C1 ZINC000659982737 419051211 /nfs/dbraw/zinc/05/12/11/419051211.db2.gz VTNAIJYTTKYEKT-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](OC)C2CCCCC2)C1 ZINC000659982737 419051216 /nfs/dbraw/zinc/05/12/16/419051216.db2.gz VTNAIJYTTKYEKT-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982737 419051221 /nfs/dbraw/zinc/05/12/21/419051221.db2.gz VTNAIJYTTKYEKT-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659982737 419051225 /nfs/dbraw/zinc/05/12/25/419051225.db2.gz VTNAIJYTTKYEKT-WMZOPIPTSA-N 1 3 296.499 3.245 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCC(C)(C)C3CC3)CC[C@@H]21 ZINC000653570677 419052348 /nfs/dbraw/zinc/05/23/48/419052348.db2.gz ZJCSCFMQHRMXAI-HOCLYGCPSA-N 1 3 264.457 3.229 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCC(C)(C)C3CC3)CC[C@@H]21 ZINC000653570677 419052350 /nfs/dbraw/zinc/05/23/50/419052350.db2.gz ZJCSCFMQHRMXAI-HOCLYGCPSA-N 1 3 264.457 3.229 20 0 CGADHO COc1cc([C@@H](C)NCc2cccc(C[NH+](C)C)c2)ccn1 ZINC000655685693 419065439 /nfs/dbraw/zinc/06/54/39/419065439.db2.gz LEZSJYVIPANPJZ-CQSZACIVSA-N 1 3 299.418 3.003 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000655710490 419072337 /nfs/dbraw/zinc/07/23/37/419072337.db2.gz BYRSLXATQUPOKF-RDJZCZTQSA-N 1 3 272.436 3.222 20 0 CGADHO Cc1cc2c(c(C)c1)[C@@H](NC[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000655710490 419072339 /nfs/dbraw/zinc/07/23/39/419072339.db2.gz BYRSLXATQUPOKF-RDJZCZTQSA-N 1 3 272.436 3.222 20 0 CGADHO C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCC1 ZINC000660115416 419079461 /nfs/dbraw/zinc/07/94/61/419079461.db2.gz MYFJVBSNORWRHP-NVXWUHKLSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCC1 ZINC000660115416 419079464 /nfs/dbraw/zinc/07/94/64/419079464.db2.gz MYFJVBSNORWRHP-NVXWUHKLSA-N 1 3 262.441 3.125 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCCCOC2CCCCC2)C1 ZINC000656196015 419148442 /nfs/dbraw/zinc/14/84/42/419148442.db2.gz SUBTXQLGZDVGRC-HOTGVXAUSA-N 1 3 282.472 3.366 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196938 419149026 /nfs/dbraw/zinc/14/90/26/419149026.db2.gz YRRBLCPZARISPP-KBPBESRZSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000656196938 419149029 /nfs/dbraw/zinc/14/90/29/419149029.db2.gz YRRBLCPZARISPP-KBPBESRZSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3ccccc3F)CCC2)C1 ZINC000656200439 419149877 /nfs/dbraw/zinc/14/98/77/419149877.db2.gz PTPDJJPLYUKIME-KGLIPLIRSA-N 1 3 276.399 3.107 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3ccccc3F)CCC2)C1 ZINC000656200439 419149880 /nfs/dbraw/zinc/14/98/80/419149880.db2.gz PTPDJJPLYUKIME-KGLIPLIRSA-N 1 3 276.399 3.107 20 0 CGADHO Cc1ccncc1[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656517714 419178970 /nfs/dbraw/zinc/17/89/70/419178970.db2.gz COXXYNDQSZXDBU-HNNXBMFYSA-N 1 3 296.418 3.105 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172166 419194407 /nfs/dbraw/zinc/19/44/07/419194407.db2.gz NBAJDFZQDDFNOY-SJCJKPOMSA-N 1 3 294.389 3.274 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCc3c2cc(F)cc3F)C1 ZINC000666172166 419194410 /nfs/dbraw/zinc/19/44/10/419194410.db2.gz NBAJDFZQDDFNOY-SJCJKPOMSA-N 1 3 294.389 3.274 20 0 CGADHO COc1ccc(C(C)C)cc1C[NH2+][C@](C)(CN)C(C)C ZINC000655938399 419128181 /nfs/dbraw/zinc/12/81/81/419128181.db2.gz VCKUEJDSFWRACO-QGZVFWFLSA-N 1 3 278.440 3.282 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000655941350 419128891 /nfs/dbraw/zinc/12/88/91/419128891.db2.gz RBOPIOJMMXWADS-LSDHHAIUSA-N 1 3 292.854 3.470 20 0 CGADHO CCCN1CC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657324909 419250989 /nfs/dbraw/zinc/25/09/89/419250989.db2.gz HQHXNLNLTXCHOG-CYBMUJFWSA-N 1 3 289.448 3.118 20 0 CGADHO Cc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1F ZINC000656785146 419217922 /nfs/dbraw/zinc/21/79/22/419217922.db2.gz JLOSLMPEUVGMKI-KRWDZBQOSA-N 1 3 290.426 3.346 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2NCC2([NH3+])CCCC2)cc1 ZINC000656789144 419220399 /nfs/dbraw/zinc/22/03/99/419220399.db2.gz KQWMVGXLTYFZCS-DLBZAZTESA-N 1 3 272.436 3.492 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)C[C@H]1CCC[NH2+]1)[C@@H](C)C2 ZINC000656791723 419220425 /nfs/dbraw/zinc/22/04/25/419220425.db2.gz JGMBCJTXZJVNKA-KJGCVMFHSA-N 1 3 272.436 3.349 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)NCC1([NH3+])CCCC1 ZINC000656789395 419221345 /nfs/dbraw/zinc/22/13/45/419221345.db2.gz NVJPBWOYFXVCDT-LBPRGKRZSA-N 1 3 266.816 3.132 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CCC([C@H]2CCCCO2)CC1 ZINC000661870028 419309835 /nfs/dbraw/zinc/30/98/35/419309835.db2.gz BCAOIFNRIZWRQV-ZWKOTPCHSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CCC([C@H]2CCCCO2)CC1 ZINC000661870028 419309837 /nfs/dbraw/zinc/30/98/37/419309837.db2.gz BCAOIFNRIZWRQV-ZWKOTPCHSA-N 1 3 294.483 3.142 20 0 CGADHO c1cc(CN2CCC(C[NH2+]C[C@H]3CC=CCC3)CC2)ccn1 ZINC000657611686 419313710 /nfs/dbraw/zinc/31/37/10/419313710.db2.gz CRBIMEAFZUYJOK-KRWDZBQOSA-N 1 3 299.462 3.240 20 0 CGADHO CCCN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000662312586 419389939 /nfs/dbraw/zinc/38/99/39/419389939.db2.gz IKTGUMUXJBPJJD-CQSZACIVSA-N 1 3 264.388 3.037 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CC2CC1(c1ccccc1)C2 ZINC000662331588 419391996 /nfs/dbraw/zinc/39/19/96/419391996.db2.gz NYRAUHNIGGEWSP-IIIMJFFVSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CC2CC1(c1ccccc1)C2 ZINC000662331588 419392002 /nfs/dbraw/zinc/39/20/02/419392002.db2.gz NYRAUHNIGGEWSP-IIIMJFFVSA-N 1 3 270.420 3.092 20 0 CGADHO CCN(C[C@@H]1CCCCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000662263157 419376539 /nfs/dbraw/zinc/37/65/39/419376539.db2.gz IBFUQVWBTRCKAX-KBPBESRZSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCCNCC1 ZINC000662263157 419376542 /nfs/dbraw/zinc/37/65/42/419376542.db2.gz IBFUQVWBTRCKAX-KBPBESRZSA-N 1 3 274.399 3.276 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCCNCC1 ZINC000662263157 419376545 /nfs/dbraw/zinc/37/65/45/419376545.db2.gz IBFUQVWBTRCKAX-KBPBESRZSA-N 1 3 274.399 3.276 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCCC12CC2)N1CCCCC1 ZINC000657973804 419469787 /nfs/dbraw/zinc/46/97/87/419469787.db2.gz UYZWCHIQRADZAE-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1CC1(C)C ZINC000663344340 419567849 /nfs/dbraw/zinc/56/78/49/419567849.db2.gz RVNXCADLOBOZAR-BPUTZDHNSA-N 1 3 264.457 3.133 20 0 CGADHO c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)C2 ZINC000663346625 419565466 /nfs/dbraw/zinc/56/54/66/419565466.db2.gz BHHZXVCNXQZKDO-PXNSSMCTSA-N 1 3 298.474 3.256 20 0 CGADHO C[N@H+](CCNc1nccc2[nH]ccc21)C1CCCCC1 ZINC000663440251 419605052 /nfs/dbraw/zinc/60/50/52/419605052.db2.gz HLGSNUHVHLLVFY-UHFFFAOYSA-N 1 3 272.396 3.239 20 0 CGADHO C[N@@H+](CCNc1nccc2[nH]ccc21)C1CCCCC1 ZINC000663440251 419605065 /nfs/dbraw/zinc/60/50/65/419605065.db2.gz HLGSNUHVHLLVFY-UHFFFAOYSA-N 1 3 272.396 3.239 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658160898 419624372 /nfs/dbraw/zinc/62/43/72/419624372.db2.gz GZCWCZFTWDCWLH-NRSFXHEJSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658160898 419624379 /nfs/dbraw/zinc/62/43/79/419624379.db2.gz GZCWCZFTWDCWLH-NRSFXHEJSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]([NH2+]CC1=CCCC1)c1cccc(OCCN(C)C)c1 ZINC000658292992 419741584 /nfs/dbraw/zinc/74/15/84/419741584.db2.gz UQEKILKVIPQXBG-HNNXBMFYSA-N 1 3 288.435 3.388 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+]C1(c2ccccc2)CCC1 ZINC000179449371 260048475 /nfs/dbraw/zinc/04/84/75/260048475.db2.gz HRJJIGSWDHRTBE-MRXNPFEDSA-N 1 3 258.409 3.140 20 0 CGADHO CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183194521 260061098 /nfs/dbraw/zinc/06/10/98/260061098.db2.gz BGLAKMKTKNXVLR-SOUVJXGZSA-N 1 3 252.446 3.418 20 0 CGADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000390231581 262161121 /nfs/dbraw/zinc/16/11/21/262161121.db2.gz HIIAAFPXVGXKFA-MELADBBJSA-N 1 3 274.399 3.322 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000044535713 270036855 /nfs/dbraw/zinc/03/68/55/270036855.db2.gz XWBSGYJGYCKGHY-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044535713 270036857 /nfs/dbraw/zinc/03/68/57/270036857.db2.gz XWBSGYJGYCKGHY-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000105457423 270047520 /nfs/dbraw/zinc/04/75/20/270047520.db2.gz AYRBKLLJTZTGAQ-OAHLLOKOSA-N 1 3 252.446 3.419 20 0 CGADHO C1C[C@H]2C[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)CCN2C1 ZINC000106868900 270049054 /nfs/dbraw/zinc/04/90/54/270049054.db2.gz VJOLCHNHPKZXQB-NNBWVPJWSA-N 1 3 274.452 3.028 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000182823100 270054410 /nfs/dbraw/zinc/05/44/10/270054410.db2.gz KOSAWCWIBNYYOE-QGZVFWFLSA-N 1 3 292.442 3.422 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000182823100 270054411 /nfs/dbraw/zinc/05/44/11/270054411.db2.gz KOSAWCWIBNYYOE-QGZVFWFLSA-N 1 3 292.442 3.422 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000227497265 270087024 /nfs/dbraw/zinc/08/70/24/270087024.db2.gz BSSYTQZEIWEAQH-UONOGXRCSA-N 1 3 269.392 3.438 20 0 CGADHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000227497265 270087025 /nfs/dbraw/zinc/08/70/25/270087025.db2.gz BSSYTQZEIWEAQH-UONOGXRCSA-N 1 3 269.392 3.438 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734701 270133220 /nfs/dbraw/zinc/13/32/20/270133220.db2.gz MAJLPXFUSZANJF-IAGOWNOFSA-N 1 3 276.468 3.419 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527844388 270139303 /nfs/dbraw/zinc/13/93/03/270139303.db2.gz BMTDSQGOLJJOGM-FZKCQIBNSA-N 1 3 264.457 3.133 20 0 CGADHO CC(C)CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530215890 270195679 /nfs/dbraw/zinc/19/56/79/270195679.db2.gz JZRJZILRRXMIFY-CABCVRRESA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)CC[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530215890 270195680 /nfs/dbraw/zinc/19/56/80/270195680.db2.gz JZRJZILRRXMIFY-CABCVRRESA-N 1 3 250.430 3.075 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530215480 270195775 /nfs/dbraw/zinc/19/57/75/270195775.db2.gz GPJQELJQTSNZMB-BRWVUGGUSA-N 1 3 299.462 3.290 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC[C@H]2CC=CCC2)c2ccccc21 ZINC000530218189 270195996 /nfs/dbraw/zinc/19/59/96/270195996.db2.gz KHMOXJANGZCVEW-XKQJLSEDSA-N 1 3 256.393 3.467 20 0 CGADHO Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000530218852 270196259 /nfs/dbraw/zinc/19/62/59/270196259.db2.gz HMXKKKBRZMBCBC-KBPBESRZSA-N 1 3 289.398 3.017 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000414929889 275565093 /nfs/dbraw/zinc/56/50/93/275565093.db2.gz AAUASICANSONKN-UGUYLWEFSA-N 1 3 252.446 3.179 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414941253 276042073 /nfs/dbraw/zinc/04/20/73/276042073.db2.gz LHGDPQDGHVLLCU-KBAYOESNSA-N 1 3 274.452 3.376 20 0 CGADHO CC1(C)[C@H]([NH2+]CCNC2CCCCCC2)[C@H]2CCCO[C@@H]21 ZINC000423280495 276163163 /nfs/dbraw/zinc/16/31/63/276163163.db2.gz STGJWEDIZCVOIB-ZACQAIPSSA-N 1 3 294.483 3.092 20 0 CGADHO CCS[C@@H]1CCC[C@@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000422818374 276397666 /nfs/dbraw/zinc/39/76/66/276397666.db2.gz KDEWOAKRWGJCSE-KBXIAJHMSA-N 1 3 270.486 3.171 20 0 CGADHO C[NH2+]C[C@H](C)CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854495 277282517 /nfs/dbraw/zinc/28/25/17/277282517.db2.gz VBUNDMNYGYOJBE-NWDGAFQWSA-N 1 3 288.357 3.254 20 0 CGADHO CNC[C@H](C)C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854495 277282518 /nfs/dbraw/zinc/28/25/18/277282518.db2.gz VBUNDMNYGYOJBE-NWDGAFQWSA-N 1 3 288.357 3.254 20 0 CGADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@@H](N)CC(C)C ZINC000414730232 277334848 /nfs/dbraw/zinc/33/48/48/277334848.db2.gz AJOMIGWSEXWBFH-XEZPLFJOSA-N 1 3 298.858 3.379 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449204882 277392359 /nfs/dbraw/zinc/39/23/59/277392359.db2.gz JWXJGVOSPFGNJL-IRXDYDNUSA-N 1 3 294.483 3.046 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422792569 277948826 /nfs/dbraw/zinc/94/88/26/277948826.db2.gz ZMASDTRURNIDLH-SIIHOXLZSA-N 1 3 288.435 3.050 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](CNC)C2)C1 ZINC000394613768 288002783 /nfs/dbraw/zinc/00/27/83/288002783.db2.gz JXLZDLFGQOJKPY-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](CNC)C2)C1 ZINC000394613768 288002784 /nfs/dbraw/zinc/00/27/84/288002784.db2.gz JXLZDLFGQOJKPY-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@@H]1CCC[C@@H](CN2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000394613768 288002786 /nfs/dbraw/zinc/00/27/86/288002786.db2.gz JXLZDLFGQOJKPY-OAGGEKHMSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414826003 278175915 /nfs/dbraw/zinc/17/59/15/278175915.db2.gz UYJMNLRZONAEBF-IJEWVQPXSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414880452 278181768 /nfs/dbraw/zinc/18/17/68/278181768.db2.gz QRLHIEDFWYRGFP-DJIMGWMZSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)CSCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000397262846 288022108 /nfs/dbraw/zinc/02/21/08/288022108.db2.gz IBWKJTPWOOXYET-CABCVRRESA-N 1 3 264.438 3.110 20 0 CGADHO C[C@H](C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000397425132 288023726 /nfs/dbraw/zinc/02/37/26/288023726.db2.gz XBCVCYFDWCYFMI-IVSAIRAKSA-N 1 3 260.425 3.095 20 0 CGADHO C[C@H](C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000397425132 288023727 /nfs/dbraw/zinc/02/37/27/288023727.db2.gz XBCVCYFDWCYFMI-IVSAIRAKSA-N 1 3 260.425 3.095 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@@H]1CC1(C)C ZINC000397595851 288024731 /nfs/dbraw/zinc/02/47/31/288024731.db2.gz DJOWIGBMBXCHOV-ILXRZTDVSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1CC1(C)C ZINC000397664945 288026500 /nfs/dbraw/zinc/02/65/00/288026500.db2.gz DFFUWWTYIHWBCD-YPMHNXCESA-N 1 3 252.446 3.320 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000516173923 278348551 /nfs/dbraw/zinc/34/85/51/278348551.db2.gz NDTCEZLQQZTNGE-KLHDSHLOSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H](NC[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423127586 278350350 /nfs/dbraw/zinc/35/03/50/278350350.db2.gz JSNXGUQYXRCQRI-MCIONIFRSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000422844894 278562129 /nfs/dbraw/zinc/56/21/29/278562129.db2.gz NBDPHUDHEJYGSZ-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](Cc1ccccn1)c1ccccc1 ZINC000423055391 288063111 /nfs/dbraw/zinc/06/31/11/288063111.db2.gz VZVIUXLPWJLISB-HDMKZQKVSA-N 1 3 283.419 3.081 20 0 CGADHO CC(C)CC1(C[NH2+]C[C@H]2CCCNC2)CCCC1 ZINC000094879510 278745999 /nfs/dbraw/zinc/74/59/99/278745999.db2.gz GSZUNEQGLJEGFM-HNNXBMFYSA-N 1 3 252.446 3.182 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000410414900 279096347 /nfs/dbraw/zinc/09/63/47/279096347.db2.gz TVMLINGNGFSGBP-XHSDSOJGSA-N 1 3 252.446 3.085 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000410414900 279096348 /nfs/dbraw/zinc/09/63/48/279096348.db2.gz TVMLINGNGFSGBP-XHSDSOJGSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000262011027 279157681 /nfs/dbraw/zinc/15/76/81/279157681.db2.gz VCBFQXCENNEPAU-RBUKOAKNSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000262011027 279157684 /nfs/dbraw/zinc/15/76/84/279157684.db2.gz VCBFQXCENNEPAU-RBUKOAKNSA-N 1 3 286.463 3.331 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000415080726 279349536 /nfs/dbraw/zinc/34/95/36/279349536.db2.gz JXMIGYFBMFOUTO-QMCVQRASSA-N 1 3 292.492 3.437 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000422780841 279367875 /nfs/dbraw/zinc/36/78/75/279367875.db2.gz KTNFIEXSVVQECE-DRRXZNNHSA-N 1 3 294.483 3.090 20 0 CGADHO CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)Nc1ccccc1 ZINC000422979220 280255827 /nfs/dbraw/zinc/25/58/27/280255827.db2.gz MAFGQFQUNNRAPM-NJAFHUGGSA-N 1 3 289.467 3.101 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)Nc1ccccc1 ZINC000422979220 280255829 /nfs/dbraw/zinc/25/58/29/280255829.db2.gz MAFGQFQUNNRAPM-NJAFHUGGSA-N 1 3 289.467 3.101 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423394367 280268832 /nfs/dbraw/zinc/26/88/32/280268832.db2.gz RITODQJNWUBCOJ-ZACQAIPSSA-N 1 3 278.415 3.252 20 0 CGADHO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2ccccc2n1 ZINC000228549781 280585498 /nfs/dbraw/zinc/58/54/98/280585498.db2.gz LNRUSFFYQUMKDA-NUEKZKHPSA-N 1 3 281.403 3.107 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529537267 288259708 /nfs/dbraw/zinc/25/97/08/288259708.db2.gz UWAAXPIQKHCEDJ-CHWSQXEVSA-N 1 3 274.399 3.274 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000049092746 280778127 /nfs/dbraw/zinc/77/81/27/280778127.db2.gz MJIJZZANCXCEMQ-KBPBESRZSA-N 1 3 261.413 3.075 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268874060 281059561 /nfs/dbraw/zinc/05/95/61/281059561.db2.gz DNCYTINHZIDSBT-KMFMINBZSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268874060 281059562 /nfs/dbraw/zinc/05/95/62/281059562.db2.gz DNCYTINHZIDSBT-KMFMINBZSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530179295 288296477 /nfs/dbraw/zinc/29/64/77/288296477.db2.gz SIVGIKGMVISKCN-WBVHZDCISA-N 1 3 272.436 3.190 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462481325 281306332 /nfs/dbraw/zinc/30/63/32/281306332.db2.gz RSMMCKVLHJJRSF-LSDHHAIUSA-N 1 3 283.419 3.168 20 0 CGADHO Cc1cccc2c1ncc(C)c2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462481325 281306334 /nfs/dbraw/zinc/30/63/34/281306334.db2.gz RSMMCKVLHJJRSF-LSDHHAIUSA-N 1 3 283.419 3.168 20 0 CGADHO c1oc2ccccc2c1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000550826242 289085043 /nfs/dbraw/zinc/08/50/43/289085043.db2.gz CHNVNJOFLSEMFO-UHFFFAOYSA-N 1 3 284.403 3.397 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000550930851 289091641 /nfs/dbraw/zinc/09/16/41/289091641.db2.gz KPVZWBNZASPCQJ-IAGOWNOFSA-N 1 3 264.457 3.443 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000554384905 289280199 /nfs/dbraw/zinc/28/01/99/289280199.db2.gz NQXWFPRZDSJJFI-OIISXLGYSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H](N[C@H](C[NH3+])C1CC1)c1cccc2ccccc21 ZINC000423284914 290035272 /nfs/dbraw/zinc/03/52/72/290035272.db2.gz XMVWIPJWPDEAOE-YVEFUNNKSA-N 1 3 254.377 3.228 20 0 CGADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[C@H](C)N)cc1F ZINC000423224616 295221240 /nfs/dbraw/zinc/22/12/40/295221240.db2.gz JOMLHJQQFWHFRL-DUVNUKRYSA-N 1 3 294.414 3.187 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843186 295248351 /nfs/dbraw/zinc/24/83/51/295248351.db2.gz HHQWEPRIVBYCFD-YOEHRIQHSA-N 1 3 290.426 3.355 20 0 CGADHO Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](C)CN(C)C)CCCO2 ZINC000425944609 301212084 /nfs/dbraw/zinc/21/20/84/301212084.db2.gz NNPJRNDYCPJPIZ-RHSMWYFYSA-N 1 3 290.451 3.304 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000093213738 301420705 /nfs/dbraw/zinc/42/07/05/301420705.db2.gz JYCJOEBLVCHEFM-DRZSPHRISA-N 1 3 252.427 3.285 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422986673 302588366 /nfs/dbraw/zinc/58/83/66/302588366.db2.gz DDUDVISDSPFKEM-PWSUYJOCSA-N 1 3 283.366 3.077 20 0 CGADHO [NH3+]C[C@@H](NC1CCCC1)c1ccc2ccccc2c1 ZINC000087911858 303393274 /nfs/dbraw/zinc/39/32/74/303393274.db2.gz FHLKJPSEJPBETP-QGZVFWFLSA-N 1 3 254.377 3.372 20 0 CGADHO c1ccc(CC[C@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000414784947 304854299 /nfs/dbraw/zinc/85/42/99/304854299.db2.gz UHJXNCCBNIOAIA-SJLPKXTDSA-N 1 3 272.436 3.130 20 0 CGADHO [NH3+]CC1CCN(Cc2cnc(C3CCCCC3)s2)CC1 ZINC000564969238 322051889 /nfs/dbraw/zinc/05/18/89/322051889.db2.gz FZKRITLNZDHDAE-UHFFFAOYSA-N 1 3 293.480 3.362 20 0 CGADHO C[C@H](CCc1ccco1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000565397001 322076189 /nfs/dbraw/zinc/07/61/89/322076189.db2.gz ZBNVTTOJGUATRI-OAHLLOKOSA-N 1 3 278.440 3.312 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000565658563 322085758 /nfs/dbraw/zinc/08/57/58/322085758.db2.gz PPRQFUNMIZXHHN-DIECFANBSA-N 1 3 260.425 3.212 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000566555749 322129357 /nfs/dbraw/zinc/12/93/57/322129357.db2.gz VCPPJCCYJZYQRX-XYPHTWIQSA-N 1 3 288.435 3.180 20 0 CGADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000566555749 322129359 /nfs/dbraw/zinc/12/93/59/322129359.db2.gz VCPPJCCYJZYQRX-XYPHTWIQSA-N 1 3 288.435 3.180 20 0 CGADHO COc1cc(C)ccc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000566967621 322144786 /nfs/dbraw/zinc/14/47/86/322144786.db2.gz SDUWNYCKSVWITO-SQWLQELKSA-N 1 3 276.424 3.172 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(OCCN(C)C)cc1 ZINC000567368893 322161060 /nfs/dbraw/zinc/16/10/60/322161060.db2.gz ITLDHKLFWAIRBB-RHSMWYFYSA-N 1 3 290.451 3.466 20 0 CGADHO COc1cc(CN[C@H](CC[NH+](C)C)C(C)(C)C)ccc1C ZINC000567569250 322168371 /nfs/dbraw/zinc/16/83/71/322168371.db2.gz RCYGWSBAGRNWIH-QGZVFWFLSA-N 1 3 292.467 3.460 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCCSc2ccc(Cl)cc2)C1 ZINC000568107828 322193708 /nfs/dbraw/zinc/19/37/08/322193708.db2.gz ZMLYVIORZIOSKV-QWHCGFSZSA-N 1 3 284.856 3.292 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)Cc1ccccc1 ZINC000568248392 322200632 /nfs/dbraw/zinc/20/06/32/322200632.db2.gz PMPGNABVIUUCGM-JKSUJKDBSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566979 322214047 /nfs/dbraw/zinc/21/40/47/322214047.db2.gz ZLIZCIMTMLXLSG-BBRMVZONSA-N 1 3 280.843 3.420 20 0 CGADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000568566979 322214050 /nfs/dbraw/zinc/21/40/50/322214050.db2.gz ZLIZCIMTMLXLSG-BBRMVZONSA-N 1 3 280.843 3.420 20 0 CGADHO CC[C@H](F)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000569514286 322249254 /nfs/dbraw/zinc/24/92/54/322249254.db2.gz ZEFCOZUGKDJFKI-KSZLIROESA-N 1 3 290.426 3.188 20 0 CGADHO CC[C@H](F)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000569514286 322249256 /nfs/dbraw/zinc/24/92/56/322249256.db2.gz ZEFCOZUGKDJFKI-KSZLIROESA-N 1 3 290.426 3.188 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000570409995 322273076 /nfs/dbraw/zinc/27/30/76/322273076.db2.gz NAHQNPLAECUQCT-QXSJWSMHSA-N 1 3 294.826 3.030 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Oc1cccc(C)c1 ZINC000570529564 322276003 /nfs/dbraw/zinc/27/60/03/322276003.db2.gz QSRRBRAZDOEROA-ARFHVFGLSA-N 1 3 276.424 3.012 20 0 CGADHO CCc1nc(C)c([C@H](C)NCc2ccc(C[NH3+])cc2)s1 ZINC000582606236 329115345 /nfs/dbraw/zinc/11/53/45/329115345.db2.gz GJACQOPHVFEVCC-NSHDSACASA-N 1 3 289.448 3.323 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CC(c3ccccc3)C2)C1 ZINC000582915205 329288273 /nfs/dbraw/zinc/28/82/73/329288273.db2.gz CNLFCKOEWSLRJN-OKEQZYBDSA-N 1 3 258.409 3.040 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000580581914 335290800 /nfs/dbraw/zinc/29/08/00/335290800.db2.gz NNIWLSIDMWHTOH-KZWBYHQPSA-N 1 3 282.790 3.195 20 0 CGADHO COc1cc([C@H](C)NCc2ccc(C[NH3+])cc2)ccc1F ZINC000578193731 335552072 /nfs/dbraw/zinc/55/20/72/335552072.db2.gz MTBILGUXUBEQEM-LBPRGKRZSA-N 1 3 288.366 3.144 20 0 CGADHO Clc1cc(Cl)cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000381861517 336074760 /nfs/dbraw/zinc/07/47/60/336074760.db2.gz MISKGNPOUDELAE-BETUJISGSA-N 1 3 299.245 3.425 20 0 CGADHO Cc1ccc2nccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000581441688 336078814 /nfs/dbraw/zinc/07/88/14/336078814.db2.gz WQPSDTAZYFWQEF-MRXNPFEDSA-N 1 3 295.430 3.465 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCSC1 ZINC000384103140 336121958 /nfs/dbraw/zinc/12/19/58/336121958.db2.gz FLFBGFWPAUSWRC-RBSFLKMASA-N 1 3 270.486 3.030 20 0 CGADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1CCCSC1 ZINC000384182267 336122529 /nfs/dbraw/zinc/12/25/29/336122529.db2.gz XDGRYMYZOJIGDK-JONQDZQNSA-N 1 3 282.497 3.030 20 0 CGADHO CSCC1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000385851113 336157990 /nfs/dbraw/zinc/15/79/90/336157990.db2.gz PXEVUSFROQOMOO-CKUJCDMFSA-N 1 3 282.497 3.125 20 0 CGADHO CCN1CC[C@@H](C[NH2+]C/C(C)=C/c2ccccc2)C1 ZINC000102423165 521710494 /nfs/dbraw/zinc/71/04/94/521710494.db2.gz RENAGIWBAAFIOH-JMPLCFMRSA-N 1 3 258.409 3.021 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423295529 533771854 /nfs/dbraw/zinc/77/18/54/533771854.db2.gz FAIYPNVYEYOUAQ-IUCAKERBSA-N 1 3 261.196 3.239 20 0 CGADHO C[C@@H]1CCC[C@H](CC[N@H+](C)[C@H]2CCCNCC2)C1 ZINC000358339283 533834750 /nfs/dbraw/zinc/83/47/50/533834750.db2.gz XSNOVKVRZZZCKF-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@H]2CCCNCC2)C1 ZINC000358339283 533834762 /nfs/dbraw/zinc/83/47/62/533834762.db2.gz XSNOVKVRZZZCKF-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1csc(-c2ccsc2)n1 ZINC000415008205 533849477 /nfs/dbraw/zinc/84/94/77/533849477.db2.gz CWBAQMVYLARSOA-LLVKDONJSA-N 1 3 295.477 3.479 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)CCN1 ZINC000423367805 533964509 /nfs/dbraw/zinc/96/45/09/533964509.db2.gz DROUPSUQMNRTGJ-ZFRZLUBXSA-N 1 3 276.399 3.179 20 0 CGADHO CC(C)C[C@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000339413422 519346736 /nfs/dbraw/zinc/34/67/36/519346736.db2.gz NBGFLQLPWQPQKN-DOTOQJQBSA-N 1 3 260.425 3.097 20 0 CGADHO CC(C)C[C@H](C[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000339413422 519346742 /nfs/dbraw/zinc/34/67/42/519346742.db2.gz NBGFLQLPWQPQKN-DOTOQJQBSA-N 1 3 260.425 3.097 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(OC)c(Cl)c2)CC1 ZINC000086583979 519847084 /nfs/dbraw/zinc/84/70/84/519847084.db2.gz VRNHOEANTOAPJU-UHFFFAOYSA-N 1 3 296.842 3.313 20 0 CGADHO c1cncc([C@H](NCc2ccc3c(c2)C[NH2+]C3)C2CCC2)c1 ZINC000423396693 534511488 /nfs/dbraw/zinc/51/14/88/534511488.db2.gz SHWZQPHLOYVVSW-LJQANCHMSA-N 1 3 293.414 3.316 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102423165 521710489 /nfs/dbraw/zinc/71/04/89/521710489.db2.gz RENAGIWBAAFIOH-JMPLCFMRSA-N 1 3 258.409 3.021 20 0 CGADHO CC[N@H+]1CC[C@@H](CNC/C(C)=C/c2ccccc2)C1 ZINC000102423165 521710491 /nfs/dbraw/zinc/71/04/91/521710491.db2.gz RENAGIWBAAFIOH-JMPLCFMRSA-N 1 3 258.409 3.021 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000037643729 521717123 /nfs/dbraw/zinc/71/71/23/521717123.db2.gz BIQYFQNGJGSQCD-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO CC[N@@H+]1CC[C@H](CNCc2cccc3ccccc32)C1 ZINC000037643729 521717124 /nfs/dbraw/zinc/71/71/24/521717124.db2.gz BIQYFQNGJGSQCD-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO CC[N@H+]1CC[C@H](CNCc2cccc3ccccc32)C1 ZINC000037643729 521717125 /nfs/dbraw/zinc/71/71/25/521717125.db2.gz BIQYFQNGJGSQCD-OAHLLOKOSA-N 1 3 268.404 3.271 20 0 CGADHO Cc1ccccc1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157466237 525115474 /nfs/dbraw/zinc/11/54/74/525115474.db2.gz SQLSKFBAHFLCDV-ROUUACIJSA-N 1 3 266.388 3.272 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccsc1 ZINC000061362758 525362490 /nfs/dbraw/zinc/36/24/90/525362490.db2.gz NBRDVRRGTFNMNV-JSGCOSHPSA-N 1 3 252.427 3.273 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccsc1 ZINC000061362761 525457678 /nfs/dbraw/zinc/45/76/78/525457678.db2.gz NBRDVRRGTFNMNV-TZMCWYRMSA-N 1 3 252.427 3.273 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110344 525617989 /nfs/dbraw/zinc/61/79/89/525617989.db2.gz FBKLEVMJVBQPQD-DEYYWGMASA-N 1 3 272.436 3.309 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110344 525617995 /nfs/dbraw/zinc/61/79/95/525617995.db2.gz FBKLEVMJVBQPQD-DEYYWGMASA-N 1 3 272.436 3.309 20 0 CGADHO C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC[C@H](C)N)cc1 ZINC000423223880 526311117 /nfs/dbraw/zinc/31/11/17/526311117.db2.gz HQNSBARSSZAJPV-UDLYIEAKSA-N 1 3 290.451 3.290 20 0 CGADHO C/C=C\COc1ccc(CC[C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423223880 526311120 /nfs/dbraw/zinc/31/11/20/526311120.db2.gz HQNSBARSSZAJPV-UDLYIEAKSA-N 1 3 290.451 3.290 20 0 CGADHO C/C=C/COc1ccc(CC[C@H](C)NCC(C)(C)[NH3+])cc1 ZINC000423289362 527614927 /nfs/dbraw/zinc/61/49/27/527614927.db2.gz WZVTYDJHNPQOHV-NFAHFFEMSA-N 1 3 290.451 3.290 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H](O)C2CC2)CC1 ZINC000449326627 527647056 /nfs/dbraw/zinc/64/70/56/527647056.db2.gz XRXMBLNWQNNEFF-INIZCTEOSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423373705 527809460 /nfs/dbraw/zinc/80/94/60/527809460.db2.gz JJMJCIYFMNVXAX-OXGONZEZSA-N 1 3 252.446 3.177 20 0 CGADHO CC1(C)[C@H](NCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423369740 527870100 /nfs/dbraw/zinc/87/01/00/527870100.db2.gz TURBXNKEELUGRK-IXDOHACOSA-N 1 3 272.436 3.300 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436277509 528204168 /nfs/dbraw/zinc/20/41/68/528204168.db2.gz YHLUTPZUSDIBPL-UHFFFAOYSA-N 1 3 289.398 3.271 20 0 CGADHO CCCC[N@H+](C)CC1CCN(C[C@@H](F)CC)CC1 ZINC000440694015 528338143 /nfs/dbraw/zinc/33/81/43/528338143.db2.gz PVNSRSMIRLPULR-HNNXBMFYSA-N 1 3 258.425 3.178 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](F)CC)CC1 ZINC000440694015 528338148 /nfs/dbraw/zinc/33/81/48/528338148.db2.gz PVNSRSMIRLPULR-HNNXBMFYSA-N 1 3 258.425 3.178 20 0 CGADHO CC(C)n1cncc1CNCCCCC[NH+]1CCCCC1 ZINC000424148924 528624281 /nfs/dbraw/zinc/62/42/81/528624281.db2.gz VGIJNQVOZHFFFH-UHFFFAOYSA-N 1 3 292.471 3.210 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](Cc1cccc(C)c1)C1CC1 ZINC000423286471 528951401 /nfs/dbraw/zinc/95/14/01/528951401.db2.gz HOGMWUINBJCABY-KRWDZBQOSA-N 1 3 274.452 3.423 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000449105460 529051355 /nfs/dbraw/zinc/05/13/55/529051355.db2.gz IAJVRBXNCGKCSQ-KGLIPLIRSA-N 1 3 296.405 3.390 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423271834 529070392 /nfs/dbraw/zinc/07/03/92/529070392.db2.gz JLEAXNXGZZZLRT-HUUCEWRRSA-N 1 3 266.816 3.290 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(Cl)cc1 ZINC000423312885 529173145 /nfs/dbraw/zinc/17/31/45/529173145.db2.gz DYMZQYQYXGKOJL-ZIAGYGMSSA-N 1 3 252.789 3.118 20 0 CGADHO CC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(OC)cc1 ZINC000423529206 529206525 /nfs/dbraw/zinc/20/65/25/529206525.db2.gz OEEPYBYURZUJFI-IAGOWNOFSA-N 1 3 276.424 3.253 20 0 CGADHO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCN ZINC000437770128 529333108 /nfs/dbraw/zinc/33/31/08/529333108.db2.gz FSYMSKHKOXOFAY-CQSZACIVSA-N 1 3 299.256 3.099 20 0 CGADHO CCCc1csc(CNCC2CC[NH+](CCC)CC2)n1 ZINC000494006306 535450610 /nfs/dbraw/zinc/45/06/10/535450610.db2.gz HSEXQOCFDWXQSS-UHFFFAOYSA-N 1 3 295.496 3.307 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(F)cc2Cl)C1 ZINC000459726983 536384118 /nfs/dbraw/zinc/38/41/18/536384118.db2.gz GVNJMHDSLOGJEL-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccc(F)cc2Cl)C1 ZINC000459726983 536384120 /nfs/dbraw/zinc/38/41/20/536384120.db2.gz GVNJMHDSLOGJEL-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO COCC[N@H+](C)CCCN[C@H](C)c1cc(C)c(C)cc1C ZINC000480760785 536798333 /nfs/dbraw/zinc/79/83/33/536798333.db2.gz IFIFSMZDJQREGS-QGZVFWFLSA-N 1 3 292.467 3.231 20 0 CGADHO COCC[N@@H+](C)CCCN[C@H](C)c1cc(C)c(C)cc1C ZINC000480760785 536798336 /nfs/dbraw/zinc/79/83/36/536798336.db2.gz IFIFSMZDJQREGS-QGZVFWFLSA-N 1 3 292.467 3.231 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000166132003 572459745 /nfs/dbraw/zinc/45/97/45/572459745.db2.gz PVXCCYWYKCCJLP-HNAYVOBHSA-N 1 3 284.447 3.446 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000166132003 572459750 /nfs/dbraw/zinc/45/97/50/572459750.db2.gz PVXCCYWYKCCJLP-HNAYVOBHSA-N 1 3 284.447 3.446 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166383000 572460437 /nfs/dbraw/zinc/46/04/37/572460437.db2.gz FUTTZHYREVBKNA-HUUCEWRRSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166383000 572460442 /nfs/dbraw/zinc/46/04/42/572460442.db2.gz FUTTZHYREVBKNA-HUUCEWRRSA-N 1 3 278.827 3.099 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2cccs2)C[C@H]1C ZINC000740885043 572466880 /nfs/dbraw/zinc/46/68/80/572466880.db2.gz YKDRNPVQXNSJKK-KGLIPLIRSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccco2)C1 ZINC000120624970 617744418 /nfs/dbraw/zinc/74/44/18/617744418.db2.gz GVIYGUJLIXQBEA-HUUCEWRRSA-N 1 3 264.413 3.127 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000261558218 618085206 /nfs/dbraw/zinc/08/52/06/618085206.db2.gz DAALYWMNGHQKGQ-KBXIAJHMSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000161071763 618257973 /nfs/dbraw/zinc/25/79/73/618257973.db2.gz BFGJYGUOGTUVLG-RDBSUJKOSA-N 1 3 272.502 3.369 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000926571958 618749013 /nfs/dbraw/zinc/74/90/13/618749013.db2.gz APVJCHQRPYSCHO-WFASDCNBSA-N 1 3 293.842 3.044 20 0 CGADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCc3c2nccc3Cl)C1 ZINC000926571958 618749016 /nfs/dbraw/zinc/74/90/16/618749016.db2.gz APVJCHQRPYSCHO-WFASDCNBSA-N 1 3 293.842 3.044 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCc2ccco2)CC1 ZINC000926727520 618844198 /nfs/dbraw/zinc/84/41/98/618844198.db2.gz KLWNDUVVEORKLL-UHFFFAOYSA-N 1 3 278.440 3.312 20 0 CGADHO CN1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892947140 618960777 /nfs/dbraw/zinc/96/07/77/618960777.db2.gz WYCUUCJEKFIDCJ-LBPRGKRZSA-N 1 3 286.341 3.195 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1cccc(Cl)c1 ZINC000019905887 618974160 /nfs/dbraw/zinc/97/41/60/618974160.db2.gz HRORAISWVNYYBQ-UHFFFAOYSA-N 1 3 254.805 3.017 20 0 CGADHO C(COC1CCCCC1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925599574 619080730 /nfs/dbraw/zinc/08/07/30/619080730.db2.gz BXOAUZZXTHAABQ-ROUUACIJSA-N 1 3 294.483 3.094 20 0 CGADHO FC1(F)CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925627917 619096384 /nfs/dbraw/zinc/09/63/84/619096384.db2.gz BVUJYCGUKMDWDX-LSDHHAIUSA-N 1 3 286.410 3.322 20 0 CGADHO CC[C@H](OCCN[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925714384 619160229 /nfs/dbraw/zinc/16/02/29/619160229.db2.gz XYWAYFVZADRCHS-ULQDDVLXSA-N 1 3 288.435 3.014 20 0 CGADHO CC[C@H](NCC[C@H]1CCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925736770 619210958 /nfs/dbraw/zinc/21/09/58/619210958.db2.gz ORLLSGBHJMURHZ-RDBSUJKOSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Cl)s1 ZINC000925778527 619241286 /nfs/dbraw/zinc/24/12/86/619241286.db2.gz JUVJPUFGVFBQNL-DTWKUNHWSA-N 1 3 294.798 3.297 20 0 CGADHO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925779176 619241368 /nfs/dbraw/zinc/24/13/68/619241368.db2.gz MFTCOKRRXYXDGW-DOMZBBRYSA-N 1 3 282.378 3.144 20 0 CGADHO FC1(F)CCNC[C@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000925779866 619242333 /nfs/dbraw/zinc/24/23/33/619242333.db2.gz PTCIWFVFVNFRJU-WCQYABFASA-N 1 3 298.402 3.058 20 0 CGADHO CC[NH+]1CCC(CNCc2nc(C(C)(C)C)cs2)CC1 ZINC000094965763 619266987 /nfs/dbraw/zinc/26/69/87/619266987.db2.gz MWYJXVXJUVOIKW-UHFFFAOYSA-N 1 3 295.496 3.262 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924961894 619463386 /nfs/dbraw/zinc/46/33/86/619463386.db2.gz XDZJNHFPWGOVNE-IAGOWNOFSA-N 1 3 294.483 3.188 20 0 CGADHO Cc1nc(F)ccc1CN(C)CCCC[NH+]1CCCCC1 ZINC000895683199 619871961 /nfs/dbraw/zinc/87/19/61/619871961.db2.gz IUVSNDKCNCEEFC-UHFFFAOYSA-N 1 3 293.430 3.227 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC(C)(C)C2CCOCC2)CC1 ZINC000897453020 620338356 /nfs/dbraw/zinc/33/83/56/620338356.db2.gz ZWCGOOQXYPCOTR-UHFFFAOYSA-N 1 3 296.499 3.292 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccnc2ccccc12 ZINC000898307491 620509885 /nfs/dbraw/zinc/50/98/85/620509885.db2.gz CNBSGVCAFPEVCT-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000898307491 620509888 /nfs/dbraw/zinc/50/98/88/620509888.db2.gz CNBSGVCAFPEVCT-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CCN1CC[C@H](C[NH2+]C2CC(Sc3ccccc3)C2)C1 ZINC000924706861 620569581 /nfs/dbraw/zinc/56/95/81/620569581.db2.gz RFXUGVGVVMDTBM-HPUBIQBYSA-N 1 3 290.476 3.241 20 0 CGADHO CCCN1CC[C@@H](C[NH2+]C2CC3(C2)CCCC3)C1 ZINC000924752010 620624694 /nfs/dbraw/zinc/62/46/94/620624694.db2.gz MPUNFBFGVLMMQW-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO C[C@@H](Cc1c(Cl)cccc1Cl)NCC1([NH3+])CC1 ZINC000902414653 621324458 /nfs/dbraw/zinc/32/44/58/621324458.db2.gz YVWDTOUSTORTLK-VIFPVBQESA-N 1 3 273.207 3.005 20 0 CGADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452849 621331246 /nfs/dbraw/zinc/33/12/46/621331246.db2.gz MRGPIQNQGGETCY-SCTFDZSOSA-N 1 3 294.389 3.460 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902456208 621334240 /nfs/dbraw/zinc/33/42/40/621334240.db2.gz OCCLJFYAGMKSFG-WCQYABFASA-N 1 3 297.393 3.325 20 0 CGADHO C[NH+](C)CCCN[C@H](CCc1cccnc1)c1ccccc1 ZINC000902720944 621409994 /nfs/dbraw/zinc/40/99/94/621409994.db2.gz QVSCEUVFEJGXDV-LJQANCHMSA-N 1 3 297.446 3.297 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902721531 621410983 /nfs/dbraw/zinc/41/09/83/621410983.db2.gz ZOURJMQJCDGAPQ-KRWDZBQOSA-N 1 3 284.488 3.149 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000902971600 621517613 /nfs/dbraw/zinc/51/76/13/621517613.db2.gz XFONGSPTGAGGCV-HZPDHXFCSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@]23C[C@H]2CCCC3)CC1 ZINC000903162493 621607177 /nfs/dbraw/zinc/60/71/77/621607177.db2.gz HVYZLQSWLOJVOW-PBHICJAKSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(F)F ZINC000903203341 621626046 /nfs/dbraw/zinc/62/60/46/621626046.db2.gz KLCCQLYPTXJBSW-ZHDCTAKOSA-N 1 3 284.394 3.025 20 0 CGADHO CC1(C)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(F)F ZINC000903203341 621626048 /nfs/dbraw/zinc/62/60/48/621626048.db2.gz KLCCQLYPTXJBSW-ZHDCTAKOSA-N 1 3 284.394 3.025 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1CCCC12CCC2)c1cccnc1 ZINC000903378967 621721465 /nfs/dbraw/zinc/72/14/65/621721465.db2.gz UCZVDGZDWDYXAW-IAGOWNOFSA-N 1 3 287.451 3.387 20 0 CGADHO CC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1[NH3+] ZINC000903450297 621760672 /nfs/dbraw/zinc/76/06/72/621760672.db2.gz SWJQYMLEMXUXHQ-DMRZNYOFSA-N 1 3 294.389 3.095 20 0 CGADHO Cc1ccc(-c2cnc(CN3C[C@@H](C)[C@H](CC[NH3+])C3)o2)cc1 ZINC000903498829 621765949 /nfs/dbraw/zinc/76/59/49/621765949.db2.gz FPKYYAOOXSOLNQ-GDBMZVCRSA-N 1 3 299.418 3.067 20 0 CGADHO c1csc([C@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903718662 621796293 /nfs/dbraw/zinc/79/62/93/621796293.db2.gz QLNYECWKWLXNLF-ZIAGYGMSSA-N 1 3 264.438 3.275 20 0 CGADHO FC(F)(F)[C@]12CCC[C@H]1CN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903785240 621808564 /nfs/dbraw/zinc/80/85/64/621808564.db2.gz WWJXAKHPDOZIBF-RDBSUJKOSA-N 1 3 290.373 3.041 20 0 CGADHO N[C@@H](CC(F)F)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890132 621823177 /nfs/dbraw/zinc/82/31/77/621823177.db2.gz YNOBXVQUOOBAGO-LSDHHAIUSA-N 1 3 282.378 3.066 20 0 CGADHO N[C@@H](CC(F)F)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000903890132 621823179 /nfs/dbraw/zinc/82/31/79/621823179.db2.gz YNOBXVQUOOBAGO-LSDHHAIUSA-N 1 3 282.378 3.066 20 0 CGADHO N[C@H](CC(F)F)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929396 621834045 /nfs/dbraw/zinc/83/40/45/621834045.db2.gz DKNIJWUHVPKCFH-CABCVRRESA-N 1 3 294.389 3.239 20 0 CGADHO N[C@H](CC(F)F)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000903929396 621834046 /nfs/dbraw/zinc/83/40/46/621834046.db2.gz DKNIJWUHVPKCFH-CABCVRRESA-N 1 3 294.389 3.239 20 0 CGADHO Cc1cc(CNCCC(C)(C)[NH3+])cc(C)c1OC(F)F ZINC000903941310 621838324 /nfs/dbraw/zinc/83/83/24/621838324.db2.gz YITRACLCDXFQHD-UHFFFAOYSA-N 1 3 286.366 3.122 20 0 CGADHO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904325367 621907366 /nfs/dbraw/zinc/90/73/66/621907366.db2.gz XPBFDGHAPANKKK-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904325367 621907368 /nfs/dbraw/zinc/90/73/68/621907368.db2.gz XPBFDGHAPANKKK-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000921496372 624597788 /nfs/dbraw/zinc/59/77/88/624597788.db2.gz SWGVPNUGDRBHMI-VSZNYVQBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cccnc1Cl ZINC000774494022 627998672 /nfs/dbraw/zinc/99/86/72/627998672.db2.gz BTBHJCQRIXQKMI-GFCCVEGCSA-N 1 3 293.842 3.260 20 0 CGADHO C[C@@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000790746766 629227786 /nfs/dbraw/zinc/22/77/86/629227786.db2.gz AOCNLWCUGMDAIJ-HNNXBMFYSA-N 1 3 292.442 3.468 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000863546083 629603826 /nfs/dbraw/zinc/60/38/26/629603826.db2.gz JFXRHWYITJIUMX-OLZOCXBDSA-N 1 3 279.334 3.006 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000809735681 630791601 /nfs/dbraw/zinc/79/16/01/630791601.db2.gz OPSZIDXIJUIFFP-ZIAGYGMSSA-N 1 3 272.502 3.227 20 0 CGADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccsc1 ZINC000817948274 632244137 /nfs/dbraw/zinc/24/41/37/632244137.db2.gz WJESSSXYXFLWSI-GFCCVEGCSA-N 1 3 260.406 3.100 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000817981218 632271934 /nfs/dbraw/zinc/27/19/34/632271934.db2.gz HGTKOTPQLVMONQ-IRXDYDNUSA-N 1 3 258.409 3.089 20 0 CGADHO CC1(C)[C@@H](c2ccccc2F)CCN1C[C@H]1CC[NH2+]C1 ZINC000866702723 633234725 /nfs/dbraw/zinc/23/47/25/633234725.db2.gz FTCNPHOPVODZEO-DZGCQCFKSA-N 1 3 276.399 3.003 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCOC2(CCCC2)C1)N1CCCCC1 ZINC000872062825 633985342 /nfs/dbraw/zinc/98/53/42/633985342.db2.gz QQRNTBHAZDCQFU-DLBZAZTESA-N 1 3 294.483 3.332 20 0 CGADHO CC[N@@H+]1CC[C@H](NCc2cccc3ncccc23)[C@@H](C)C1 ZINC000872124168 634045994 /nfs/dbraw/zinc/04/59/94/634045994.db2.gz GBGYKUYJPPOGDB-YOEHRIQHSA-N 1 3 283.419 3.055 20 0 CGADHO CC[N@H+]1CC[C@H](NCc2cccc3ncccc23)[C@@H](C)C1 ZINC000872124168 634046002 /nfs/dbraw/zinc/04/60/02/634046002.db2.gz GBGYKUYJPPOGDB-YOEHRIQHSA-N 1 3 283.419 3.055 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cnc(-c2ccccc2)nc1 ZINC000872158502 634069322 /nfs/dbraw/zinc/06/93/22/634069322.db2.gz VSSPXXBXEUQTFA-UHFFFAOYSA-N 1 3 298.434 3.095 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000873223588 634291284 /nfs/dbraw/zinc/29/12/84/634291284.db2.gz OMZPNUUZPPGURO-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000873223588 634291289 /nfs/dbraw/zinc/29/12/89/634291289.db2.gz OMZPNUUZPPGURO-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO Cc1nn(C(C)(C)C)c(C)c1CN(C)CCCCCC[NH3+] ZINC000873231392 634292753 /nfs/dbraw/zinc/29/27/53/634292753.db2.gz HSQWCFKESGFQDR-UHFFFAOYSA-N 1 3 294.487 3.206 20 0 CGADHO C[C@@H](CCCc1cccnc1)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873238060 634296518 /nfs/dbraw/zinc/29/65/18/634296518.db2.gz WHNKCSNWWGHZEY-DOTOQJQBSA-N 1 3 289.467 3.161 20 0 CGADHO C[NH+](C)CC1CCC(NCc2nc(Cl)cs2)CC1 ZINC000877114591 634988734 /nfs/dbraw/zinc/98/87/34/634988734.db2.gz VGHKCKYSIOIYSJ-UHFFFAOYSA-N 1 3 287.860 3.007 20 0 CGADHO CC(C)Oc1cccc(CNCc2ccc(CC[NH3+])cc2)c1 ZINC000841032111 635110264 /nfs/dbraw/zinc/11/02/64/635110264.db2.gz LJORKDYDUJAQNO-UHFFFAOYSA-N 1 3 298.430 3.265 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000841090386 635120741 /nfs/dbraw/zinc/12/07/41/635120741.db2.gz OOPAXCFQPLCLKB-AGIUHOORSA-N 1 3 290.373 3.372 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000877684169 635144832 /nfs/dbraw/zinc/14/48/32/635144832.db2.gz JPDKUDIZNJMULQ-UHFFFAOYSA-N 1 3 297.446 3.476 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159813 635384969 /nfs/dbraw/zinc/38/49/69/635384969.db2.gz WSRCBKZVIQUCPM-HOTGVXAUSA-N 1 3 296.499 3.244 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878159813 635384974 /nfs/dbraw/zinc/38/49/74/635384974.db2.gz WSRCBKZVIQUCPM-HOTGVXAUSA-N 1 3 296.499 3.244 20 0 CGADHO CC(C)c1nc([C@@H](C)NCCCCCC[NH3+])cs1 ZINC000843341611 635649649 /nfs/dbraw/zinc/64/96/49/635649649.db2.gz KBZOFRZTNHWTAW-GFCCVEGCSA-N 1 3 269.458 3.436 20 0 CGADHO CCCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849028039 636721793 /nfs/dbraw/zinc/72/17/93/636721793.db2.gz YPJPZBNHLYLUDZ-INIZCTEOSA-N 1 3 288.439 3.060 20 0 CGADHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000849063806 636736969 /nfs/dbraw/zinc/73/69/69/636736969.db2.gz OVTQNOANOMBWEX-INIZCTEOSA-N 1 3 294.487 3.088 20 0 CGADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883434315 636754649 /nfs/dbraw/zinc/75/46/49/636754649.db2.gz NFLCMIFNFDCKOH-MLHJIOFPSA-N 1 3 288.435 3.156 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H](N(C)C)C3)[nH]c2c1 ZINC000850175030 636973894 /nfs/dbraw/zinc/97/38/94/636973894.db2.gz VBTLRWMFBPZIHD-NVXWUHKLSA-N 1 3 285.435 3.439 20 0 CGADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437370 637063303 /nfs/dbraw/zinc/06/33/03/637063303.db2.gz LVDFAFOHRQUOOW-ZQIUZPCESA-N 1 3 288.435 3.145 20 0 CGADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCCO2 ZINC000850437370 637063307 /nfs/dbraw/zinc/06/33/07/637063307.db2.gz LVDFAFOHRQUOOW-ZQIUZPCESA-N 1 3 288.435 3.145 20 0 CGADHO Fc1cccc(/C=C\C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000885924079 637314486 /nfs/dbraw/zinc/31/44/86/637314486.db2.gz GVGNYVFUICBTAC-FJKMSNPNSA-N 1 3 274.383 3.055 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750413 637492175 /nfs/dbraw/zinc/49/21/75/637492175.db2.gz FDEBHBFZEXPIPE-OKZBNKHCSA-N 1 3 294.483 3.142 20 0 CGADHO CCc1cc(CNC2CCC(C)([NH+]3CCCC3)CC2)on1 ZINC000886530128 637556453 /nfs/dbraw/zinc/55/64/53/637556453.db2.gz DSRURLHLRCWXEL-UHFFFAOYSA-N 1 3 291.439 3.124 20 0 CGADHO CC(C)CCN1CCC([NH2+][C@@H](C)Cc2ccco2)CC1 ZINC000924611251 638375661 /nfs/dbraw/zinc/37/56/61/638375661.db2.gz ZZNUSOOFSBIIKV-HNNXBMFYSA-N 1 3 278.440 3.311 20 0 CGADHO CC(C)CC[NH+]1CCC(N[C@@H](C)Cc2ccco2)CC1 ZINC000924611251 638375670 /nfs/dbraw/zinc/37/56/70/638375670.db2.gz ZZNUSOOFSBIIKV-HNNXBMFYSA-N 1 3 278.440 3.311 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc(OC)n1 ZINC000925302887 638493680 /nfs/dbraw/zinc/49/36/80/638493680.db2.gz JXEJPTOZRFHOHL-OAHLLOKOSA-N 1 3 291.439 3.004 20 0 CGADHO CC1(C)C[C@@H](NC/C=C/c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925614282 638544951 /nfs/dbraw/zinc/54/49/51/638544951.db2.gz XQRJTAXIDHWCOM-GRLYAWNKSA-N 1 3 258.409 3.195 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@H]2C[C@H](c3ccccc3Cl)C2)C12CCC2 ZINC000925673259 638564929 /nfs/dbraw/zinc/56/49/29/638564929.db2.gz CFKRDFIBJFLNSB-BHTHQVBYSA-N 1 3 290.838 3.446 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1CCCO)N1CCCCC1 ZINC000926144340 638721015 /nfs/dbraw/zinc/72/10/15/638721015.db2.gz OPAVOSWUWZXNOS-KURKYZTESA-N 1 3 296.499 3.172 20 0 CGADHO C[C@H](CC[NH2+]C1CC2(C1)COC(C)(C)C2)N1CCCCC1 ZINC000926142324 638721302 /nfs/dbraw/zinc/72/13/02/638721302.db2.gz KZWBQMYUTSEBMP-KLHKWILBSA-N 1 3 294.483 3.188 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000926175100 638729468 /nfs/dbraw/zinc/72/94/68/638729468.db2.gz OCPBLSIXMMDIGA-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc2c(c1)CCO2 ZINC000858490613 638740271 /nfs/dbraw/zinc/74/02/71/638740271.db2.gz KXHIQIGDOJMWIJ-CABCVRRESA-N 1 3 288.435 3.004 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1CCCC[N@@H+](C)C1 ZINC000858490316 638740327 /nfs/dbraw/zinc/74/03/27/638740327.db2.gz GEIAUFOBKFIYIB-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]1CCCC[N@H+](C)C1 ZINC000858490316 638740332 /nfs/dbraw/zinc/74/03/32/638740332.db2.gz GEIAUFOBKFIYIB-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490316 638740338 /nfs/dbraw/zinc/74/03/38/638740338.db2.gz GEIAUFOBKFIYIB-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@H]2CCC(C)(C)O2)CC1 ZINC000926220665 638745141 /nfs/dbraw/zinc/74/51/41/638745141.db2.gz CIWLROIDFJJFEC-MRXNPFEDSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](C[C@](C)(O)CC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276711 638758794 /nfs/dbraw/zinc/75/87/94/638758794.db2.gz ZOHYVVFEZHGLTH-NVXWUHKLSA-N 1 3 284.488 3.028 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H](O)C2CCCC2)CC1 ZINC000926816501 638815150 /nfs/dbraw/zinc/81/51/50/638815150.db2.gz NFAVQVOMLGAZHB-GOSISDBHSA-N 1 3 296.499 3.028 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000926903016 638823358 /nfs/dbraw/zinc/82/33/58/638823358.db2.gz CYAQHXXCEKLBDE-OFQRWUPVSA-N 1 3 276.424 3.137 20 0 CGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000926903016 638823360 /nfs/dbraw/zinc/82/33/60/638823360.db2.gz CYAQHXXCEKLBDE-OFQRWUPVSA-N 1 3 276.424 3.137 20 0 CGADHO CN(C)C1(C)CC[NH+](CCCCc2ccccc2)CC1 ZINC000931353203 639139553 /nfs/dbraw/zinc/13/95/53/639139553.db2.gz BNORPRJPQGORQQ-UHFFFAOYSA-N 1 3 274.452 3.425 20 0 CGADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCCCC1CCCCC1 ZINC001253411656 806217075 /nfs/dbraw/zinc/21/70/75/806217075.db2.gz RXUXGBQBVLXVGK-INIZCTEOSA-N 1 3 284.488 3.076 20 0 CGADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCCCC1CCCCC1 ZINC001253411656 806217082 /nfs/dbraw/zinc/21/70/82/806217082.db2.gz RXUXGBQBVLXVGK-INIZCTEOSA-N 1 3 284.488 3.076 20 0 CGADHO CN(Cc1cccc2cccnc21)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524007 806439983 /nfs/dbraw/zinc/43/99/83/806439983.db2.gz UNJUXOOTBABTBZ-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO CN(Cc1cccc2cccnc21)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524007 806439984 /nfs/dbraw/zinc/43/99/84/806439984.db2.gz UNJUXOOTBABTBZ-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136398 806551448 /nfs/dbraw/zinc/55/14/48/806551448.db2.gz KLKQRBCTBQKOJC-PIIMJCKOSA-N 1 3 270.420 3.276 20 0 CGADHO CN(C1CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136398 806551452 /nfs/dbraw/zinc/55/14/52/806551452.db2.gz KLKQRBCTBQKOJC-PIIMJCKOSA-N 1 3 270.420 3.276 20 0 CGADHO CC1(C)CCC([NH+]2CC3(C2)CCN(CC2CC2)C3)CC1 ZINC001255304215 806602261 /nfs/dbraw/zinc/60/22/61/806602261.db2.gz IPGFIHCZFVVCSO-UHFFFAOYSA-N 1 3 276.468 3.373 20 0 CGADHO CCc1cc(-n2c3ccccc3nc2[C@H](C)N)cc[nH+]1 ZINC001162778333 806663314 /nfs/dbraw/zinc/66/33/14/806663314.db2.gz JIHDYYNBWDGMIR-NSHDSACASA-N 1 3 266.348 3.003 20 0 CGADHO CC(C)Oc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000037197121 798862127 /nfs/dbraw/zinc/86/21/27/798862127.db2.gz GKXMWTIKSXKZCT-UHFFFAOYSA-N 1 3 278.440 3.151 20 0 CGADHO CCN1CCC([NH2+][C@H](C)c2nc3ccccc3s2)CC1 ZINC000037978973 798880899 /nfs/dbraw/zinc/88/08/99/798880899.db2.gz RTNKPGPOJNUOES-GFCCVEGCSA-N 1 3 289.448 3.431 20 0 CGADHO Cc1ccc(-c2nc(CN(C)C3CCC([NH3+])CC3)co2)cc1 ZINC000316811575 799242997 /nfs/dbraw/zinc/24/29/97/799242997.db2.gz ZXZSBKZFXMVMEH-UHFFFAOYSA-N 1 3 299.418 3.352 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000388020282 799449700 /nfs/dbraw/zinc/44/97/00/799449700.db2.gz UGWDCJSDVDRQDY-CYBMUJFWSA-N 1 3 264.413 3.252 20 0 CGADHO CC1CCN(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403644692 799569752 /nfs/dbraw/zinc/56/97/52/799569752.db2.gz DCSCRWWOFRUTTF-MQVJKMGUSA-N 1 3 282.497 3.125 20 0 CGADHO c1c(C[NH2+]C2CCCCCC2)sc2c1CNCC2 ZINC000687961828 799741552 /nfs/dbraw/zinc/74/15/52/799741552.db2.gz INECWTBHOWBQAQ-UHFFFAOYSA-N 1 3 264.438 3.206 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687964764 799742515 /nfs/dbraw/zinc/74/25/15/799742515.db2.gz XWBUMGONAGAHGK-CYBMUJFWSA-N 1 3 264.438 3.158 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687964764 799742518 /nfs/dbraw/zinc/74/25/18/799742518.db2.gz XWBUMGONAGAHGK-CYBMUJFWSA-N 1 3 264.438 3.158 20 0 CGADHO c1c(C[N@@H+]2CCC[C@H]2C2CCC2)sc2c1CNCC2 ZINC000688300314 799747376 /nfs/dbraw/zinc/74/73/76/799747376.db2.gz CDSRWJBVJTZUHC-HNNXBMFYSA-N 1 3 276.449 3.158 20 0 CGADHO c1c(C[N@H+]2CCC[C@H]2C2CCC2)sc2c1CNCC2 ZINC000688300314 799747379 /nfs/dbraw/zinc/74/73/79/799747379.db2.gz CDSRWJBVJTZUHC-HNNXBMFYSA-N 1 3 276.449 3.158 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647971 799831040 /nfs/dbraw/zinc/83/10/40/799831040.db2.gz KRWGFYWGUYKCCH-GDBMZVCRSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(Cl)CC1 ZINC000695647971 799831047 /nfs/dbraw/zinc/83/10/47/799831047.db2.gz KRWGFYWGUYKCCH-GDBMZVCRSA-N 1 3 292.854 3.258 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc(Cl)cn2)[C@@H]1CCC[NH3+] ZINC000703887303 799933158 /nfs/dbraw/zinc/93/31/58/799933158.db2.gz STSANLQZHNWVQV-IUODEOHRSA-N 1 3 281.831 3.074 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)(C)Cc1cccnc1 ZINC001255951144 806795015 /nfs/dbraw/zinc/79/50/15/806795015.db2.gz GWRHMDRFBJHBCU-INIZCTEOSA-N 1 3 291.483 3.360 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@]12C[C@H]1CCCC2 ZINC000709171305 800004932 /nfs/dbraw/zinc/00/49/32/800004932.db2.gz QVLXRTPYYZDDTI-FZKCQIBNSA-N 1 3 250.430 3.029 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)c1ncccc1C ZINC001255952499 806795546 /nfs/dbraw/zinc/79/55/46/806795546.db2.gz NHFZKTTZPVIEID-MRXNPFEDSA-N 1 3 291.483 3.378 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cc(Cl)ccc1F ZINC000710799670 800039988 /nfs/dbraw/zinc/03/99/88/800039988.db2.gz RQTJVWUCRVOKOU-UHFFFAOYSA-N 1 3 272.795 3.430 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001255955762 806797910 /nfs/dbraw/zinc/79/79/10/806797910.db2.gz DKOYDQWOZYXBBB-UONOGXRCSA-N 1 3 276.415 3.474 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001255955762 806797912 /nfs/dbraw/zinc/79/79/12/806797912.db2.gz DKOYDQWOZYXBBB-UONOGXRCSA-N 1 3 276.415 3.474 20 0 CGADHO FCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716624987 800177550 /nfs/dbraw/zinc/17/75/50/800177550.db2.gz JXEADJKNGPAOJM-BZSNNMDCSA-N 1 3 290.426 3.379 20 0 CGADHO CC(C)(C)N1CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001256573747 806919631 /nfs/dbraw/zinc/91/96/31/806919631.db2.gz MYJSIEMMNNQXDQ-GFCCVEGCSA-N 1 3 274.399 3.226 20 0 CGADHO CC(C)(C)N1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001256573747 806919633 /nfs/dbraw/zinc/91/96/33/806919633.db2.gz MYJSIEMMNNQXDQ-GFCCVEGCSA-N 1 3 274.399 3.226 20 0 CGADHO C[C@@H](Cc1ccncc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001256718390 806955094 /nfs/dbraw/zinc/95/50/94/806955094.db2.gz IEXPFBIEBKNASF-QFBILLFUSA-N 1 3 297.446 3.295 20 0 CGADHO CSc1ccccc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205280689 812928345 /nfs/dbraw/zinc/92/83/45/812928345.db2.gz FZWKOKPTMGJKLJ-HNNXBMFYSA-N 1 3 264.438 3.112 20 0 CGADHO C[C@H]1CN(Cc2csc(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206014010 813166743 /nfs/dbraw/zinc/16/67/43/813166743.db2.gz UZVPJGRTDVNHGL-JQWIXIFHSA-N 1 3 272.845 3.208 20 0 CGADHO Cc1cc(N)ccc1-c1ccccc1CN1CCC([NH3+])CC1 ZINC001244373311 803335641 /nfs/dbraw/zinc/33/56/41/803335641.db2.gz ZUXJEYNSBBMJQU-UHFFFAOYSA-N 1 3 295.430 3.167 20 0 CGADHO Cc1ccc2c(CN3CCC4(C[NH+](C)C4)CC3)c[nH]c2c1 ZINC001136975786 803666248 /nfs/dbraw/zinc/66/62/48/803666248.db2.gz RIJKCADZKURNDX-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO Cc1ccc2c(C[NH+]3CCC4(CN(C)C4)CC3)c[nH]c2c1 ZINC001136975786 803666249 /nfs/dbraw/zinc/66/62/49/803666249.db2.gz RIJKCADZKURNDX-UHFFFAOYSA-N 1 3 283.419 3.004 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1 ZINC001246066519 804107173 /nfs/dbraw/zinc/10/71/73/804107173.db2.gz RJCQSJZJZZFUQD-CVEARBPZSA-N 1 3 252.446 3.467 20 0 CGADHO CCCC[C@H]1C[C@@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC001246073589 804111583 /nfs/dbraw/zinc/11/15/83/804111583.db2.gz ICCDMVQFDQZYPK-IRXDYDNUSA-N 1 3 272.436 3.054 20 0 CGADHO CCCC[C@@H]1C[C@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC001246073588 804112726 /nfs/dbraw/zinc/11/27/26/804112726.db2.gz ICCDMVQFDQZYPK-IAGOWNOFSA-N 1 3 272.436 3.054 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)NCC1([NH3+])CCCC1 ZINC001246075773 804113465 /nfs/dbraw/zinc/11/34/65/804113465.db2.gz MVFXVWJYQWYJGV-LBPRGKRZSA-N 1 3 266.816 3.132 20 0 CGADHO CC[C@@H](Cc1ccccc1)N[C@@H](C[NH3+])c1ccccc1 ZINC001246077122 804116109 /nfs/dbraw/zinc/11/61/09/804116109.db2.gz QUGXQWUXFQLWHI-ROUUACIJSA-N 1 3 268.404 3.297 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083157 804119457 /nfs/dbraw/zinc/11/94/57/804119457.db2.gz FAOQSQAMIGYZAG-SZMVWBNQSA-N 1 3 274.452 3.374 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C[C@H]1F ZINC001246087520 804120549 /nfs/dbraw/zinc/12/05/49/804120549.db2.gz OUEFLQFIWTUVGB-ZACQAIPSSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@]1([NH2+]C2CCC(Cc3ccccc3)CC2)CCNC1 ZINC001246097349 804130192 /nfs/dbraw/zinc/13/01/92/804130192.db2.gz OJGLNSUMNIXGRQ-ABHNRTSZSA-N 1 3 272.436 3.130 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246099167 804131705 /nfs/dbraw/zinc/13/17/05/804131705.db2.gz OTTFXIKYFNKOCU-BJWYYQGGSA-N 1 3 290.451 3.137 20 0 CGADHO CC[C@@H]1C[C@H](NCCc2ccccc2OC)C[C@H](CC)[NH2+]1 ZINC001246099168 804131816 /nfs/dbraw/zinc/13/18/16/804131816.db2.gz OTTFXIKYFNKOCU-FVQHAEBGSA-N 1 3 290.451 3.137 20 0 CGADHO C[NH2+]CCCN[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246105017 804136936 /nfs/dbraw/zinc/13/69/36/804136936.db2.gz AMRRCZPWBLDXRW-SNVBAGLBSA-N 1 3 275.223 3.124 20 0 CGADHO CC(C)CCC[C@@H](C)NC[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001246107949 804140494 /nfs/dbraw/zinc/14/04/94/804140494.db2.gz BMOALPJWISUDLI-OLZOCXBDSA-N 1 3 280.378 3.333 20 0 CGADHO C[C@H]1CNC[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246117989 804149634 /nfs/dbraw/zinc/14/96/34/804149634.db2.gz UUWFQSZIPXSYHF-ZNMIVQPWSA-N 1 3 250.430 3.077 20 0 CGADHO CCc1ccc(CCN[C@@H]2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001246158868 804175279 /nfs/dbraw/zinc/17/52/79/804175279.db2.gz NDGPOVNQLIOAET-MSOLQXFVSA-N 1 3 274.452 3.158 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1C[C@H](N)C1 ZINC001246192045 804200071 /nfs/dbraw/zinc/20/00/71/804200071.db2.gz YGOWKTYFYDGXFN-YUSALJHKSA-N 1 3 287.234 3.394 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]([NH3+])C1 ZINC001246192045 804200076 /nfs/dbraw/zinc/20/00/76/804200076.db2.gz YGOWKTYFYDGXFN-YUSALJHKSA-N 1 3 287.234 3.394 20 0 CGADHO Cc1ccc(CC[C@H](C)N[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001246191662 804200876 /nfs/dbraw/zinc/20/08/76/804200876.db2.gz WWEAKESLSSFXKV-RDJZCZTQSA-N 1 3 260.425 3.048 20 0 CGADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCN1 ZINC001246193325 804201875 /nfs/dbraw/zinc/20/18/75/804201875.db2.gz MPTYQCOFIYFLJI-ZYHUDNBSSA-N 1 3 287.234 3.266 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246211119 804208788 /nfs/dbraw/zinc/20/87/88/804208788.db2.gz LVXWEZCHVYNMFU-XDNAFOTISA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246218934 804213448 /nfs/dbraw/zinc/21/34/48/804213448.db2.gz AHBQSHLMZJZAJL-KZNAEPCWSA-N 1 3 292.442 3.181 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNCC[C@@H]1F ZINC001246220388 804215247 /nfs/dbraw/zinc/21/52/47/804215247.db2.gz FPDOFOXFVDTYGV-KURKYZTESA-N 1 3 292.442 3.325 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]C[C@@H]1CNCC[C@@H]1F ZINC001246223466 804217331 /nfs/dbraw/zinc/21/73/31/804217331.db2.gz QXNGHQGGXCTCBI-KKUMJFAQSA-N 1 3 258.425 3.273 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC001246237003 804228084 /nfs/dbraw/zinc/22/80/84/804228084.db2.gz FRFUHUVGMGFENA-IUODEOHRSA-N 1 3 278.827 3.102 20 0 CGADHO C[C@@H]1C[C@H](NCC2(c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246237003 804228093 /nfs/dbraw/zinc/22/80/93/804228093.db2.gz FRFUHUVGMGFENA-IUODEOHRSA-N 1 3 278.827 3.102 20 0 CGADHO [NH3+]C1(CN[C@H]2CCc3cc(F)cc(F)c3C2)CCCCC1 ZINC001246278195 804253197 /nfs/dbraw/zinc/25/31/97/804253197.db2.gz FGCMKVSUOUTXNE-AWEZNQCLSA-N 1 3 294.389 3.073 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246282911 804258487 /nfs/dbraw/zinc/25/84/87/804258487.db2.gz ZCCDAVISOCTSPM-CABCVRRESA-N 1 3 296.405 3.408 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC2(C)C)CCN1 ZINC001246285092 804258644 /nfs/dbraw/zinc/25/86/44/804258644.db2.gz FZHYXLNSCPGYPV-RDBSUJKOSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)C[C@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1 ZINC001246294387 804264166 /nfs/dbraw/zinc/26/41/66/804264166.db2.gz WNTJHWJJIDXXIH-HOTGVXAUSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001246327931 804283682 /nfs/dbraw/zinc/28/36/82/804283682.db2.gz VGANSJSPKUHJGM-UBDQQSCGSA-N 1 3 272.436 3.443 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC001246327286 804284431 /nfs/dbraw/zinc/28/44/31/804284431.db2.gz SMWALYZWBSEJDG-NJAFHUGGSA-N 1 3 274.452 3.374 20 0 CGADHO CC[C@H]1CC(NCCc2cc(F)cc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246330078 804284616 /nfs/dbraw/zinc/28/46/16/804284616.db2.gz UPXSRVUJFLHQCW-HOTGVXAUSA-N 1 3 296.405 3.406 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2c(Cl)ccc(C)c2F)CC[NH2+]1 ZINC001246343606 804294722 /nfs/dbraw/zinc/29/47/22/804294722.db2.gz NDSKWKLSNNRIEZ-OLZOCXBDSA-N 1 3 298.833 3.450 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CCN1 ZINC001246345648 804296274 /nfs/dbraw/zinc/29/62/74/804296274.db2.gz JLMMAVGVJRWXGQ-YJBOKZPZSA-N 1 3 299.462 3.467 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC001246351005 804300262 /nfs/dbraw/zinc/30/02/62/804300262.db2.gz SXVVKLZCSCOESE-NNPSNHGLSA-N 1 3 270.420 3.195 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246363711 804307019 /nfs/dbraw/zinc/30/70/19/804307019.db2.gz LTRFUXJJGQDDTF-OKZBNKHCSA-N 1 3 286.463 3.300 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@@H]1CC[NH2+]CC1(C)C ZINC001246369975 804307408 /nfs/dbraw/zinc/30/74/08/804307408.db2.gz DQHCRPPWKALIAO-IAQYHMDHSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCNCC1(C)C ZINC001246369975 804307416 /nfs/dbraw/zinc/30/74/16/804307416.db2.gz DQHCRPPWKALIAO-IAQYHMDHSA-N 1 3 298.833 3.388 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)CCN1 ZINC001246383417 804313202 /nfs/dbraw/zinc/31/32/02/804313202.db2.gz JKFSTHODJZIRKX-XJKSGUPXSA-N 1 3 292.854 3.393 20 0 CGADHO CC(C)(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2)CC1CCC1 ZINC001246391610 804318691 /nfs/dbraw/zinc/31/86/91/804318691.db2.gz NPTVKBJIUWUFME-ZSHCYNCHSA-N 1 3 264.457 3.466 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+]C1(CCOC)CCNCC1 ZINC001246393149 804320023 /nfs/dbraw/zinc/32/00/23/804320023.db2.gz RELUELZIBSKMER-JKSUJKDBSA-N 1 3 284.488 3.340 20 0 CGADHO C[C@H]1C[C@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246395356 804320125 /nfs/dbraw/zinc/32/01/25/804320125.db2.gz VFQQLQWYMUFCFF-XJKSGUPXSA-N 1 3 276.399 3.021 20 0 CGADHO CC(C)(Cc1cccc(F)c1)[NH2+][C@@H]1CCNC(C)(C)C1 ZINC001246410741 804323271 /nfs/dbraw/zinc/32/32/71/804323271.db2.gz LJMXSANOVXQZIK-OAHLLOKOSA-N 1 3 278.415 3.267 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246410759 804324673 /nfs/dbraw/zinc/32/46/73/804324673.db2.gz LRBUPHOKMUKHLY-HZPDHXFCSA-N 1 3 278.415 3.267 20 0 CGADHO CCC1([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CCNCC1 ZINC001246423447 804327931 /nfs/dbraw/zinc/32/79/31/804327931.db2.gz JVKRKFGSJUKIEO-KBPBESRZSA-N 1 3 252.446 3.323 20 0 CGADHO CC[C@@H](C)[NH2+]C1(Cc2cccc(Cl)c2)CCNCC1 ZINC001246428132 804328775 /nfs/dbraw/zinc/32/87/75/804328775.db2.gz ITSOZKRHFJAZJW-CYBMUJFWSA-N 1 3 280.843 3.393 20 0 CGADHO CCC1([NH2+][C@H]2CCc3c(Cl)cccc3C2)CCNCC1 ZINC001246425034 804329020 /nfs/dbraw/zinc/32/90/20/804329020.db2.gz VKHALBPJMXZPIK-AWEZNQCLSA-N 1 3 292.854 3.319 20 0 CGADHO CC1(C)CC[C@@H](C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC001246432844 804332448 /nfs/dbraw/zinc/33/24/48/804332448.db2.gz HYTOKQHADGSHCA-KBXIAJHMSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)N[C@@H]1CC12C[NH2+]C2 ZINC001246444270 804334420 /nfs/dbraw/zinc/33/44/20/804334420.db2.gz JTBBWGURYGEUNG-GXTWGEPZSA-N 1 3 294.464 3.022 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1CC12CNC2 ZINC001246444270 804334428 /nfs/dbraw/zinc/33/44/28/804334428.db2.gz JTBBWGURYGEUNG-GXTWGEPZSA-N 1 3 294.464 3.022 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCN1 ZINC001246457226 804338105 /nfs/dbraw/zinc/33/81/05/804338105.db2.gz QMPLNMHNLVZPJQ-SQNIBIBYSA-N 1 3 272.436 3.445 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@H]2C[C@H](NC)C2)CC1 ZINC001246458648 804339706 /nfs/dbraw/zinc/33/97/06/804339706.db2.gz ALJASMKAENRUPI-LTDGRNPRSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@H]1CC[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001246461010 804342452 /nfs/dbraw/zinc/34/24/52/804342452.db2.gz MPRYOPLAUAWDFH-CWRNSKLLSA-N 1 3 250.430 3.077 20 0 CGADHO CC1CCC(NC[C@]2(CC3CC3)CCC[NH2+]2)CC1 ZINC001246462376 804343787 /nfs/dbraw/zinc/34/37/87/804343787.db2.gz QQDOLCNQNCNGOI-AVVWSFFYSA-N 1 3 250.430 3.077 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC001246465195 804345210 /nfs/dbraw/zinc/34/52/10/804345210.db2.gz JTWGKLDLKYQRPV-SJORKVTESA-N 1 3 284.447 3.371 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N[C@@H]1CC[NH2+]CC12CC2 ZINC001246472707 804349788 /nfs/dbraw/zinc/34/97/88/804349788.db2.gz ILNURTDXAKFSGM-IAQYHMDHSA-N 1 3 296.817 3.142 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1CCNCC12CC2 ZINC001246472707 804349796 /nfs/dbraw/zinc/34/97/96/804349796.db2.gz ILNURTDXAKFSGM-IAQYHMDHSA-N 1 3 296.817 3.142 20 0 CGADHO CCCC1CCC([NH2+][C@@H]2CCNCC23CC3)CC1 ZINC001246475236 804353092 /nfs/dbraw/zinc/35/30/92/804353092.db2.gz TZSWMPCHHGUCTQ-YMAMQOFZSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478030 804354295 /nfs/dbraw/zinc/35/42/95/804354295.db2.gz MMOBNHRKSAEKGX-VQISRLSMSA-N 1 3 284.806 3.270 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NCC1([NH3+])CCC1 ZINC001246508908 804366803 /nfs/dbraw/zinc/36/68/03/804366803.db2.gz GKBJKKKDAYUQPP-JTQLQIEISA-N 1 3 287.234 3.395 20 0 CGADHO c1ccc(C2CCC([NH2+][C@@H](C3CC3)C3CNC3)CC2)cc1 ZINC001246512106 804367104 /nfs/dbraw/zinc/36/71/04/804367104.db2.gz APGDXBCHVNKSIU-PPSBMQLTSA-N 1 3 284.447 3.300 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)C[C@H](C)N1 ZINC001246515373 804369937 /nfs/dbraw/zinc/36/99/37/804369937.db2.gz MNTZCHKAHXFPGZ-ZSBFGKGUSA-N 1 3 272.436 3.053 20 0 CGADHO C1CC([C@H]([NH2+]C2CCC3(CCCC3)CC2)C2CNC2)C1 ZINC001246518760 804371842 /nfs/dbraw/zinc/37/18/42/804371842.db2.gz PNUDULUKBYRDIE-KRWDZBQOSA-N 1 3 276.468 3.467 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246520227 804373150 /nfs/dbraw/zinc/37/31/50/804373150.db2.gz VZWSTATUEBOAOK-MOPGFXCFSA-N 1 3 286.463 3.231 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCC[C@H](N)CC2)cc1 ZINC001246539238 804388200 /nfs/dbraw/zinc/38/82/00/804388200.db2.gz FWAAYGOKGQALIE-RDJZCZTQSA-N 1 3 260.425 3.129 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](N)CC2)cc1 ZINC001246539238 804388208 /nfs/dbraw/zinc/38/82/08/804388208.db2.gz FWAAYGOKGQALIE-RDJZCZTQSA-N 1 3 260.425 3.129 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CCC[C@@](C)([NH3+])CC1 ZINC001246546820 804395586 /nfs/dbraw/zinc/39/55/86/804395586.db2.gz AOYUVVOCAHXCNV-XJKSGUPXSA-N 1 3 280.843 3.474 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CCC[C@@](C)([NH3+])CC1 ZINC001246552399 804401946 /nfs/dbraw/zinc/40/19/46/804401946.db2.gz OGHCSVNBQHVOAE-CZUORRHYSA-N 1 3 280.843 3.474 20 0 CGADHO CC(C)=CCC[C@@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555463 804404328 /nfs/dbraw/zinc/40/43/28/804404328.db2.gz GTFLQKPCVFFXRZ-OLZOCXBDSA-N 1 3 260.372 3.037 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246563763 804412434 /nfs/dbraw/zinc/41/24/34/804412434.db2.gz LTECQEWKQGDRFU-HZSPNIEDSA-N 1 3 296.455 3.366 20 0 CGADHO CCCC1CCC([N@@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246564295 804413059 /nfs/dbraw/zinc/41/30/59/804413059.db2.gz MKOVSKCGEOIKMR-CIDNJEQPSA-N 1 3 252.446 3.405 20 0 CGADHO CCCC1CCC([N@H+]2CCC[C@@H](CN)[C@H]2C)CC1 ZINC001246564295 804413063 /nfs/dbraw/zinc/41/30/63/804413063.db2.gz MKOVSKCGEOIKMR-CIDNJEQPSA-N 1 3 252.446 3.405 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570679 804417190 /nfs/dbraw/zinc/41/71/90/804417190.db2.gz SGOCRKZYYGFYGJ-BPLDGKMQSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001246570679 804417193 /nfs/dbraw/zinc/41/71/93/804417193.db2.gz SGOCRKZYYGFYGJ-BPLDGKMQSA-N 1 3 292.854 3.257 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246585637 804430558 /nfs/dbraw/zinc/43/05/58/804430558.db2.gz YNNRSMMRBDYLKA-FUHWJXTLSA-N 1 3 274.452 3.377 20 0 CGADHO Cc1ccc(CC[C@H](C)[N@H+]2CCCC[C@H](CN)C2)cc1 ZINC001246585637 804430563 /nfs/dbraw/zinc/43/05/63/804430563.db2.gz YNNRSMMRBDYLKA-FUHWJXTLSA-N 1 3 274.452 3.377 20 0 CGADHO Clc1cccc(CC2CC[NH+](C3CCNCC3)CC2)c1 ZINC001246603522 804439947 /nfs/dbraw/zinc/43/99/47/804439947.db2.gz ZMLIKWJMXLMSLW-UHFFFAOYSA-N 1 3 292.854 3.347 20 0 CGADHO Clc1cccc(CC2CCN(C3CC[NH2+]CC3)CC2)c1 ZINC001246603522 804439950 /nfs/dbraw/zinc/43/99/50/804439950.db2.gz ZMLIKWJMXLMSLW-UHFFFAOYSA-N 1 3 292.854 3.347 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N1CCC2(C[NH2+]C2)CC1 ZINC001246605792 804441285 /nfs/dbraw/zinc/44/12/85/804441285.db2.gz WEZQVMKELGOKTL-GFCCVEGCSA-N 1 3 296.817 3.096 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]23CCCNC3)C[C@@H]1C ZINC001246608200 804442737 /nfs/dbraw/zinc/44/27/37/804442737.db2.gz IIFIPXMABORXHV-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCCNC3)C[C@@H]1C ZINC001246608200 804442739 /nfs/dbraw/zinc/44/27/39/804442739.db2.gz IIFIPXMABORXHV-FXUDXRNXSA-N 1 3 250.430 3.029 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246610295 804444280 /nfs/dbraw/zinc/44/42/80/804444280.db2.gz PEYKNYPZUFGXHZ-DZGCQCFKSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246610295 804444282 /nfs/dbraw/zinc/44/42/82/804444282.db2.gz PEYKNYPZUFGXHZ-DZGCQCFKSA-N 1 3 270.486 3.125 20 0 CGADHO CSC(C)(C)C[C@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC001246610295 804444288 /nfs/dbraw/zinc/44/42/88/804444288.db2.gz PEYKNYPZUFGXHZ-DZGCQCFKSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611146 804444559 /nfs/dbraw/zinc/44/45/59/804444559.db2.gz SPUOHWXUATYNJH-JCYILVPMSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C1CCC([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246611146 804444565 /nfs/dbraw/zinc/44/45/65/804444565.db2.gz SPUOHWXUATYNJH-JCYILVPMSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)C1CCC(N2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246611146 804444568 /nfs/dbraw/zinc/44/45/68/804444568.db2.gz SPUOHWXUATYNJH-JCYILVPMSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cccc2c1CC[C@H](N1CCC3(CCC[NH2+]3)CC1)C2 ZINC001246620428 804453398 /nfs/dbraw/zinc/45/33/98/804453398.db2.gz BOVWFNMSESKCOA-KRWDZBQOSA-N 1 3 284.447 3.070 20 0 CGADHO CC1(C)CCC[C@H](N2CCC[C@@]3(CCC[NH2+]3)C2)C1 ZINC001246623465 804456062 /nfs/dbraw/zinc/45/60/62/804456062.db2.gz TXNCGBLCRCESDW-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H]1CC([N@@H+]2CCCC[C@@]23CCCNC3)C[C@H](C)C1 ZINC001246650138 804476584 /nfs/dbraw/zinc/47/65/84/804476584.db2.gz HFEHAYDRLAYNIG-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CC([N@H+]2CCCC[C@@]23CCCNC3)C[C@H](C)C1 ZINC001246650138 804476590 /nfs/dbraw/zinc/47/65/90/804476590.db2.gz HFEHAYDRLAYNIG-INMHGKMJSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)[C@@H]2C[C@@H](N3CCCC[C@]34CCC[NH2+]C4)C[C@@H]21 ZINC001246653091 804478875 /nfs/dbraw/zinc/47/88/75/804478875.db2.gz QXUWEEGCWXAPQB-PNBKFKSVSA-N 1 3 262.441 3.029 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCCC[C@]34CCCNC4)C[C@@H]21 ZINC001246653091 804478878 /nfs/dbraw/zinc/47/88/78/804478878.db2.gz QXUWEEGCWXAPQB-PNBKFKSVSA-N 1 3 262.441 3.029 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@]34CCCNC4)C[C@@H]21 ZINC001246653091 804478880 /nfs/dbraw/zinc/47/88/80/804478880.db2.gz QXUWEEGCWXAPQB-PNBKFKSVSA-N 1 3 262.441 3.029 20 0 CGADHO C[C@H](CCc1ccc(Br)cc1)[N@H+](C)CCCN ZINC001246678016 804493408 /nfs/dbraw/zinc/49/34/08/804493408.db2.gz CSRMMOLRWOILQS-GFCCVEGCSA-N 1 3 299.256 3.051 20 0 CGADHO C[C@H](CCc1ccc(Br)cc1)[N@@H+](C)CCCN ZINC001246678016 804493411 /nfs/dbraw/zinc/49/34/11/804493411.db2.gz CSRMMOLRWOILQS-GFCCVEGCSA-N 1 3 299.256 3.051 20 0 CGADHO C[C@H](CCc1ccc(Br)cc1)N(C)CCC[NH3+] ZINC001246678016 804493412 /nfs/dbraw/zinc/49/34/12/804493412.db2.gz CSRMMOLRWOILQS-GFCCVEGCSA-N 1 3 299.256 3.051 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CCN1 ZINC001246759498 804500611 /nfs/dbraw/zinc/50/06/11/804500611.db2.gz MGPPJFCBAIXPPR-DFBDCSAJSA-N 1 3 294.483 3.044 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CCN1 ZINC001246759498 804500615 /nfs/dbraw/zinc/50/06/15/804500615.db2.gz MGPPJFCBAIXPPR-DFBDCSAJSA-N 1 3 294.483 3.044 20 0 CGADHO COc1ccccc1[C@H]1CCCN1[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246794118 804518218 /nfs/dbraw/zinc/51/82/18/804518218.db2.gz ZAVKTAWEFYJFNM-GOEBONIOSA-N 1 3 288.435 3.363 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N1CCC([NH2+]C)CC1 ZINC001246805913 804525701 /nfs/dbraw/zinc/52/57/01/804525701.db2.gz LGQLBBFHRLRTFM-SFHVURJKSA-N 1 3 274.452 3.472 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)C[C@@H]2C)CCN1 ZINC001246811303 804528720 /nfs/dbraw/zinc/52/87/20/804528720.db2.gz SEJFUKXZQHQHBM-QKPAOTATSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)C[C@@H]2C)CCN1 ZINC001246811303 804528723 /nfs/dbraw/zinc/52/87/23/804528723.db2.gz SEJFUKXZQHQHBM-QKPAOTATSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(Cc3ccccc3F)CC2)CCN1 ZINC001246824973 804537823 /nfs/dbraw/zinc/53/78/23/804537823.db2.gz RIUMUSIPYFLFNR-PBHICJAKSA-N 1 3 290.426 3.221 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC(Cc3ccccc3F)CC2)CC[NH2+]1 ZINC001246824973 804537829 /nfs/dbraw/zinc/53/78/29/804537829.db2.gz RIUMUSIPYFLFNR-PBHICJAKSA-N 1 3 290.426 3.221 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001246855168 804563794 /nfs/dbraw/zinc/56/37/94/804563794.db2.gz VGDLRLGQRUWCHT-OCCSQVGLSA-N 1 3 266.816 3.127 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(n3ccc4ccccc43)CC2)CCN1 ZINC001246870695 804572121 /nfs/dbraw/zinc/57/21/21/804572121.db2.gz XKQVIEVZYRSHRR-MAUKXSAKSA-N 1 3 297.446 3.419 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870672 804572158 /nfs/dbraw/zinc/57/21/58/804572158.db2.gz YWPWSOCCBKIDGT-NQYYFHDYSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870672 804572162 /nfs/dbraw/zinc/57/21/62/804572162.db2.gz YWPWSOCCBKIDGT-NQYYFHDYSA-N 1 3 284.447 3.397 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C(C)C)CCN1 ZINC001246885883 804579149 /nfs/dbraw/zinc/57/91/49/804579149.db2.gz GIBGQWOGOTWYNZ-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)C)CCN1 ZINC001246885883 804579151 /nfs/dbraw/zinc/57/91/51/804579151.db2.gz GIBGQWOGOTWYNZ-BZUAXINKSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(C)C)C[C@H](CC)N1 ZINC001246884283 804579313 /nfs/dbraw/zinc/57/93/13/804579313.db2.gz AETAUADIVKTDPM-FZKCQIBNSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)C)C[C@H](CC)N1 ZINC001246884283 804579321 /nfs/dbraw/zinc/57/93/21/804579321.db2.gz AETAUADIVKTDPM-FZKCQIBNSA-N 1 3 252.446 3.416 20 0 CGADHO CCCCCC[C@@H](CC)[N@H+](CCOC)[C@@H]1CCCNC1 ZINC001246927645 804605383 /nfs/dbraw/zinc/60/53/83/804605383.db2.gz HTGKLWURSSDHLS-IAGOWNOFSA-N 1 3 284.488 3.436 20 0 CGADHO CCCCCC[C@@H](CC)[N@@H+](CCOC)[C@@H]1CCCNC1 ZINC001246927645 804605387 /nfs/dbraw/zinc/60/53/87/804605387.db2.gz HTGKLWURSSDHLS-IAGOWNOFSA-N 1 3 284.488 3.436 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@H+](C[C@H]1CCCNC1)C1CC1)C2 ZINC001246970654 804622892 /nfs/dbraw/zinc/62/28/92/804622892.db2.gz ANIWVZCAQFPRAN-QFBILLFUSA-N 1 3 298.474 3.316 20 0 CGADHO Cc1cccc2c1CC[C@@H]([N@@H+](C[C@H]1CCCNC1)C1CC1)C2 ZINC001246970654 804622897 /nfs/dbraw/zinc/62/28/97/804622897.db2.gz ANIWVZCAQFPRAN-QFBILLFUSA-N 1 3 298.474 3.316 20 0 CGADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977996 804626098 /nfs/dbraw/zinc/62/60/98/804626098.db2.gz GTQXCROGIQCHIM-QXAKKESOSA-N 1 3 286.463 3.472 20 0 CGADHO C[C@H]1C[C@H]([N@H+]2CCC[C@H](CCc3ccccc3)C2)CCN1 ZINC001246977996 804626101 /nfs/dbraw/zinc/62/61/01/804626101.db2.gz GTQXCROGIQCHIM-QXAKKESOSA-N 1 3 286.463 3.472 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004335 804635234 /nfs/dbraw/zinc/63/52/34/804635234.db2.gz OYICGPJAGBBZQH-DLBZAZTESA-N 1 3 290.426 3.363 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004335 804635237 /nfs/dbraw/zinc/63/52/37/804635237.db2.gz OYICGPJAGBBZQH-DLBZAZTESA-N 1 3 290.426 3.363 20 0 CGADHO CC(C)[C@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002878 804635275 /nfs/dbraw/zinc/63/52/75/804635275.db2.gz LZAKHDNJKNIEOI-YHUYYLMFSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](C)CC2)CCN1 ZINC001247002878 804635279 /nfs/dbraw/zinc/63/52/79/804635279.db2.gz LZAKHDNJKNIEOI-YHUYYLMFSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@](C)(C[NH3+])C1 ZINC001247006259 804637928 /nfs/dbraw/zinc/63/79/28/804637928.db2.gz XMSMJNBPDTWMGW-CZUORRHYSA-N 1 3 280.843 3.332 20 0 CGADHO Cc1ccc(CC[C@H](C)N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001247015253 804643815 /nfs/dbraw/zinc/64/38/15/804643815.db2.gz NQLWBJCUBVLSMJ-UHOSZYNNSA-N 1 3 286.463 3.390 20 0 CGADHO C[C@H](CN)C[N@H+](C)C1CCC(c2ccccc2)CC1 ZINC001257994488 807259898 /nfs/dbraw/zinc/25/98/98/807259898.db2.gz NHAFELZBWFVHLS-ODIFPOPNSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CN)C[N@@H+](C)C1CCC(c2ccccc2)CC1 ZINC001257994488 807259906 /nfs/dbraw/zinc/25/99/06/807259906.db2.gz NHAFELZBWFVHLS-ODIFPOPNSA-N 1 3 260.425 3.239 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1(C)C ZINC001167908128 807271366 /nfs/dbraw/zinc/27/13/66/807271366.db2.gz BGAOEXIOCVXPGN-ITGUQSILSA-N 1 3 250.430 3.026 20 0 CGADHO C[N@H+](C[C@@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994537 807295283 /nfs/dbraw/zinc/29/52/83/807295283.db2.gz IACKLEMWTLZYSL-PMRDEQMMSA-N 1 3 276.468 3.370 20 0 CGADHO C[N@@H+](C[C@@H]1CC1(C)C)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167994537 807295289 /nfs/dbraw/zinc/29/52/89/807295289.db2.gz IACKLEMWTLZYSL-PMRDEQMMSA-N 1 3 276.468 3.370 20 0 CGADHO CCOCCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006971 807299223 /nfs/dbraw/zinc/29/92/23/807299223.db2.gz PZZJLVZDAXTXJM-HOTGVXAUSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001168182982 807337781 /nfs/dbraw/zinc/33/77/81/807337781.db2.gz MCBAMSMISQSNGP-IMJJTQAJSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001168182982 807337790 /nfs/dbraw/zinc/33/77/90/807337790.db2.gz MCBAMSMISQSNGP-IMJJTQAJSA-N 1 3 292.854 3.155 20 0 CGADHO CSCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258206302 807364163 /nfs/dbraw/zinc/36/41/63/807364163.db2.gz GDKNCDSEERWHIK-AWEZNQCLSA-N 1 3 284.513 3.372 20 0 CGADHO Cc1ccc(C)c(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168353357 807390529 /nfs/dbraw/zinc/39/05/29/807390529.db2.gz MCXJYMPVLGUEDT-UHFFFAOYSA-N 1 3 272.436 3.267 20 0 CGADHO c1cc2c(s1)CC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC001168368789 807397301 /nfs/dbraw/zinc/39/73/01/807397301.db2.gz PJVPMEPJALVZSE-OAHLLOKOSA-N 1 3 276.449 3.199 20 0 CGADHO C[C@H](CC1CC1)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001258455086 807460692 /nfs/dbraw/zinc/46/06/92/807460692.db2.gz VSUCJOXXWWQZFB-OAHLLOKOSA-N 1 3 287.451 3.072 20 0 CGADHO COc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC001169111192 807580798 /nfs/dbraw/zinc/58/07/98/807580798.db2.gz OCJXXHGNHQOSCB-BJWYYQGGSA-N 1 3 288.435 3.027 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169152899 807594723 /nfs/dbraw/zinc/59/47/23/807594723.db2.gz GGWPAPUCQGDSNU-VSZNYVQBSA-N 1 3 285.435 3.152 20 0 CGADHO Cc1ccc([C@H]2CCCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169152899 807594729 /nfs/dbraw/zinc/59/47/29/807594729.db2.gz GGWPAPUCQGDSNU-VSZNYVQBSA-N 1 3 285.435 3.152 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CCCC(C)C)C[C@H]2C1 ZINC001170090496 807754626 /nfs/dbraw/zinc/75/46/26/807754626.db2.gz LVDJSYYDHXJEBG-BRWVUGGUSA-N 1 3 266.473 3.475 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC001170112718 807761805 /nfs/dbraw/zinc/76/18/05/807761805.db2.gz KXDIOVWCBKIYPA-ZFWWWQNUSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC001170113882 807763045 /nfs/dbraw/zinc/76/30/45/807763045.db2.gz XFTDMELBDZAXKY-UKRRQHHQSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001170118247 807765431 /nfs/dbraw/zinc/76/54/31/807765431.db2.gz QTFYHPCQSUBFBV-CRAIPNDOSA-N 1 3 287.451 3.072 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720279 807883545 /nfs/dbraw/zinc/88/35/45/807883545.db2.gz KDZKRTHVXBAPTJ-JONQDZQNSA-N 1 3 264.457 3.275 20 0 CGADHO CC1(C)[C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCC4)CC3)C[C@@H]21 ZINC001170727306 807887986 /nfs/dbraw/zinc/88/79/86/807887986.db2.gz KYTDCNRCDQIHRT-XGBSXSJOSA-N 1 3 276.468 3.418 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171022194 807962974 /nfs/dbraw/zinc/96/29/74/807962974.db2.gz JTSCZLNZRIMITF-LSDHHAIUSA-N 1 3 292.854 3.271 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@H]2CCC(F)(F)C2)CC1(C)C ZINC001171614336 808105598 /nfs/dbraw/zinc/10/55/98/808105598.db2.gz YARLHWMQVLHEMW-NSHDSACASA-N 1 3 274.399 3.415 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1(C)C ZINC001171631223 808107798 /nfs/dbraw/zinc/10/77/98/808107798.db2.gz GJNOPDBTJIFMFL-GDBMZVCRSA-N 1 3 294.483 3.139 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1(C)C ZINC001171631223 808107800 /nfs/dbraw/zinc/10/78/00/808107800.db2.gz GJNOPDBTJIFMFL-GDBMZVCRSA-N 1 3 294.483 3.139 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CCCC[C@H](F)C2)CC1(C)C ZINC001171631702 808109340 /nfs/dbraw/zinc/10/93/40/808109340.db2.gz LXGUYBQDHTUXFH-ZDUSSCGKSA-N 1 3 270.436 3.462 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CCCC[C@H](F)C2)CC1(C)C ZINC001171631702 808109342 /nfs/dbraw/zinc/10/93/42/808109342.db2.gz LXGUYBQDHTUXFH-ZDUSSCGKSA-N 1 3 270.436 3.462 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1F ZINC001172100582 808172836 /nfs/dbraw/zinc/17/28/36/808172836.db2.gz FNAPKJKFRZZSDC-TUVASFSCSA-N 1 3 276.399 3.492 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccccc31)C2 ZINC001172103989 808174109 /nfs/dbraw/zinc/17/41/09/808174109.db2.gz YOKWKZRSLGRKKK-DFGXFYAUSA-N 1 3 270.420 3.279 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCc3ccccc31)C2 ZINC001172103989 808174111 /nfs/dbraw/zinc/17/41/11/808174111.db2.gz YOKWKZRSLGRKKK-DFGXFYAUSA-N 1 3 270.420 3.279 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC001172106521 808176640 /nfs/dbraw/zinc/17/66/40/808176640.db2.gz PWYBHZFWSZDURN-WCXIOVBPSA-N 1 3 273.424 3.138 20 0 CGADHO CC[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccnc1 ZINC001172106521 808176643 /nfs/dbraw/zinc/17/66/43/808176643.db2.gz PWYBHZFWSZDURN-WCXIOVBPSA-N 1 3 273.424 3.138 20 0 CGADHO Cc1cnccc1[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112510 808177981 /nfs/dbraw/zinc/17/79/81/808177981.db2.gz WQCUXQSEZAGAGE-ZMMAXQRCSA-N 1 3 299.462 3.446 20 0 CGADHO Cc1cnccc1[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112510 808177988 /nfs/dbraw/zinc/17/79/88/808177988.db2.gz WQCUXQSEZAGAGE-ZMMAXQRCSA-N 1 3 299.462 3.446 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001172124538 808184821 /nfs/dbraw/zinc/18/48/21/808184821.db2.gz LIPACQGNIPJGJB-FIDHJVLJSA-N 1 3 262.441 3.266 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001172124538 808184826 /nfs/dbraw/zinc/18/48/26/808184826.db2.gz LIPACQGNIPJGJB-FIDHJVLJSA-N 1 3 262.441 3.266 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001172320699 808230787 /nfs/dbraw/zinc/23/07/87/808230787.db2.gz ZNAGEJJRHSKKBT-IKGGRYGDSA-N 1 3 284.488 3.434 20 0 CGADHO CC[C@@H](C)OCC[C@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172334745 808237658 /nfs/dbraw/zinc/23/76/58/808237658.db2.gz IICOEALCEMXVGZ-LSDHHAIUSA-N 1 3 282.472 3.174 20 0 CGADHO CO[C@H]1CCC[C@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001172918041 808478914 /nfs/dbraw/zinc/47/89/14/808478914.db2.gz JEEVWBPNKKMPGW-ZFWWWQNUSA-N 1 3 282.472 3.185 20 0 CGADHO CCCOC1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001173094181 808506249 /nfs/dbraw/zinc/50/62/49/808506249.db2.gz ITAAHCGXWQIPFX-JCCCHCCOSA-N 1 3 282.472 3.187 20 0 CGADHO CC[NH+](CC)C1CCC(N2Cc3cccnc3C2)CC1 ZINC001173108478 808512605 /nfs/dbraw/zinc/51/26/05/808512605.db2.gz MCOAXWMNJVJNRZ-UHFFFAOYSA-N 1 3 273.424 3.050 20 0 CGADHO CC[C@H]1CC[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)C1 ZINC001173296487 808596541 /nfs/dbraw/zinc/59/65/41/808596541.db2.gz UEKATLANIAXHAA-XJKSGUPXSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@H]1CC[C@@H](N2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001173296487 808596545 /nfs/dbraw/zinc/59/65/45/808596545.db2.gz UEKATLANIAXHAA-XJKSGUPXSA-N 1 3 250.430 3.124 20 0 CGADHO CC[C@H]1CC[C@@H](N2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001173296487 808596549 /nfs/dbraw/zinc/59/65/49/808596549.db2.gz UEKATLANIAXHAA-XJKSGUPXSA-N 1 3 250.430 3.124 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3cc[nH]c31)C2 ZINC001275164661 808918745 /nfs/dbraw/zinc/91/87/45/808918745.db2.gz OHLQJFYWSMNWDM-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3cc[nH]c31)C2 ZINC001275164661 808918753 /nfs/dbraw/zinc/91/87/53/808918753.db2.gz OHLQJFYWSMNWDM-GOSISDBHSA-N 1 3 283.419 3.086 20 0 CGADHO Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001276119797 808988231 /nfs/dbraw/zinc/98/82/31/808988231.db2.gz DUAXSPZMMIDMMU-SFHVURJKSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001276119797 808988233 /nfs/dbraw/zinc/98/82/33/808988233.db2.gz DUAXSPZMMIDMMU-SFHVURJKSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(F)c(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1F ZINC001276537165 809015392 /nfs/dbraw/zinc/01/53/92/809015392.db2.gz DZFRCWKURBQBHI-OKILXGFUSA-N 1 3 294.389 3.047 20 0 CGADHO Cc1ccc(F)c(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1F ZINC001276537165 809015400 /nfs/dbraw/zinc/01/54/00/809015400.db2.gz DZFRCWKURBQBHI-OKILXGFUSA-N 1 3 294.389 3.047 20 0 CGADHO C/C(=C/c1ccccc1)CNCC[N@@H+]1CCC(C)(C)C1 ZINC001179768098 809943546 /nfs/dbraw/zinc/94/35/46/809943546.db2.gz KOAXENYQNKQRJJ-SSZFMOIBSA-N 1 3 272.436 3.411 20 0 CGADHO C/C(=C/c1ccccc1)CNCC[N@H+]1CCC(C)(C)C1 ZINC001179768098 809943550 /nfs/dbraw/zinc/94/35/50/809943550.db2.gz KOAXENYQNKQRJJ-SSZFMOIBSA-N 1 3 272.436 3.411 20 0 CGADHO C[C@@H](c1nccc2ccccc21)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC001180794423 810021935 /nfs/dbraw/zinc/02/19/35/810021935.db2.gz OLZHIITWIIYVNB-LSDHHAIUSA-N 1 3 283.419 3.179 20 0 CGADHO C[C@@H](c1nccc2ccccc21)[N@H+]1CC[C@H](CN(C)C)C1 ZINC001180794423 810021940 /nfs/dbraw/zinc/02/19/40/810021940.db2.gz OLZHIITWIIYVNB-LSDHHAIUSA-N 1 3 283.419 3.179 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC001184135936 810178677 /nfs/dbraw/zinc/17/86/77/810178677.db2.gz XUYDCLKIRSHSFM-BBRMVZONSA-N 1 3 292.854 3.375 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(C)(c4ccccc4)C3)[C@@H]2C1 ZINC001184388761 810196635 /nfs/dbraw/zinc/19/66/35/810196635.db2.gz SQXQSLGUWNLLSK-PTDADWAYSA-N 1 3 284.447 3.037 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001184418392 810198476 /nfs/dbraw/zinc/19/84/76/810198476.db2.gz NNZKQFDPCXUJCG-IMJJTQAJSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc2c(s1)CNCC2 ZINC001204599329 812685603 /nfs/dbraw/zinc/68/56/03/812685603.db2.gz WVJWKMBMYXDHEF-VXGBXAGGSA-N 1 3 264.438 3.157 20 0 CGADHO N[C@@H]1C[N@H+](CCCc2ccccc2C(F)(F)F)CC12CC2 ZINC001204903677 812769536 /nfs/dbraw/zinc/76/95/36/812769536.db2.gz BGRNAUSNEQLYML-CQSZACIVSA-N 1 3 298.352 3.061 20 0 CGADHO N[C@@H]1C[N@@H+](CCCc2ccccc2C(F)(F)F)CC12CC2 ZINC001204903677 812769539 /nfs/dbraw/zinc/76/95/39/812769539.db2.gz BGRNAUSNEQLYML-CQSZACIVSA-N 1 3 298.352 3.061 20 0 CGADHO COC(=O)CCCCCCCCC[N@@H+]1CCC[C@H](N)CC1 ZINC001205094174 812858359 /nfs/dbraw/zinc/85/83/59/812858359.db2.gz JYJYMHQNRQZQTK-INIZCTEOSA-N 1 3 298.471 3.093 20 0 CGADHO COC(=O)CCCCCCCCC[N@H+]1CCC[C@H](N)CC1 ZINC001205094174 812858367 /nfs/dbraw/zinc/85/83/67/812858367.db2.gz JYJYMHQNRQZQTK-INIZCTEOSA-N 1 3 298.471 3.093 20 0 CGADHO CC(C)(C)c1cccc(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205109327 812870610 /nfs/dbraw/zinc/87/06/10/812870610.db2.gz FPKBKOKOQMYSAQ-INIZCTEOSA-N 1 3 260.425 3.297 20 0 CGADHO COc1cc(C)c(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1C(C)C ZINC001205146170 812885683 /nfs/dbraw/zinc/88/56/83/812885683.db2.gz RJPNSDIBFRMXPT-GOEBONIOSA-N 1 3 290.451 3.154 20 0 CGADHO Cc1cc(F)cc(C)c1CN1CCC[C@](C)([NH3+])CC1 ZINC001205289466 812933743 /nfs/dbraw/zinc/93/37/43/812933743.db2.gz YCADKJFIGLPQSH-INIZCTEOSA-N 1 3 264.388 3.146 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2cc(O)cc3ccccc32)CC1 ZINC001205288790 812933766 /nfs/dbraw/zinc/93/37/66/812933766.db2.gz OKGBKVMTOVPSSU-GOSISDBHSA-N 1 3 284.403 3.249 20 0 CGADHO [NH3+]C[C@]1(F)CCCN(Cc2ccc(Cl)s2)CC1 ZINC001205546616 813000473 /nfs/dbraw/zinc/00/04/73/813000473.db2.gz XDVJXMYPIQKVPZ-LBPRGKRZSA-N 1 3 276.808 3.054 20 0 CGADHO CC1=CC[C@@H](CCN2CCC(F)(F)[C@H](C[NH3+])C2)C1(C)C ZINC001205735091 813063682 /nfs/dbraw/zinc/06/36/82/813063682.db2.gz JYWYIOKLJXFMGW-UONOGXRCSA-N 1 3 286.410 3.285 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCOCc2ccccc2)C[C@@H]1N ZINC001205863226 813112259 /nfs/dbraw/zinc/11/22/59/813112259.db2.gz LBLBLGUPQFWENN-AEFFLSMTSA-N 1 3 290.451 3.043 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C[C@@H]1N ZINC001205863226 813112263 /nfs/dbraw/zinc/11/22/63/813112263.db2.gz LBLBLGUPQFWENN-AEFFLSMTSA-N 1 3 290.451 3.043 20 0 CGADHO CCCCOc1ccc(CN2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205904875 813128434 /nfs/dbraw/zinc/12/84/34/813128434.db2.gz XPISJZQCIPEBDQ-NVXWUHKLSA-N 1 3 290.451 3.425 20 0 CGADHO C[C@H]1[C@H](C[NH3+])CCCN1Cc1cc(O)cc2ccccc21 ZINC001205913510 813131136 /nfs/dbraw/zinc/13/11/36/813131136.db2.gz IWXLSZCXHABANW-ZFWWWQNUSA-N 1 3 284.403 3.105 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206034792 813173714 /nfs/dbraw/zinc/17/37/14/813173714.db2.gz AFZOUOMREXMALT-ARFHVFGLSA-N 1 3 284.488 3.277 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206034792 813173718 /nfs/dbraw/zinc/17/37/18/813173718.db2.gz AFZOUOMREXMALT-ARFHVFGLSA-N 1 3 284.488 3.277 20 0 CGADHO C[C@H]1CNCCC[N@@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206257948 813259991 /nfs/dbraw/zinc/25/99/91/813259991.db2.gz NWPHWCVKAGKQFO-JGGQBBKZSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@H]1CNCCC[N@H+]1C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001206257948 813259994 /nfs/dbraw/zinc/25/99/94/813259994.db2.gz NWPHWCVKAGKQFO-JGGQBBKZSA-N 1 3 278.827 3.127 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206304726 813281712 /nfs/dbraw/zinc/28/17/12/813281712.db2.gz OSLBRCBZECSKLK-INIZCTEOSA-N 1 3 282.378 3.224 20 0 CGADHO Cc1ccc(CN2CCCC[C@](C)(C[NH3+])C2)s1 ZINC001206541407 813345573 /nfs/dbraw/zinc/34/55/73/813345573.db2.gz HFGIDQMEAXQGKB-CQSZACIVSA-N 1 3 252.427 3.007 20 0 CGADHO C[C@@]1(C[NH3+])CCCCN(Cc2cc3ccccc3o2)C1 ZINC001206548247 813348088 /nfs/dbraw/zinc/34/80/88/813348088.db2.gz IGSQFNBJDQKNNM-KRWDZBQOSA-N 1 3 272.392 3.384 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2cc(F)cc3cc[nH]c32)C1 ZINC001206580513 813361878 /nfs/dbraw/zinc/36/18/78/813361878.db2.gz DGKMTNGQAGPBLG-QGZVFWFLSA-N 1 3 289.398 3.258 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001206761062 813425792 /nfs/dbraw/zinc/42/57/92/813425792.db2.gz SIISTWDTUGEBMC-XHSDSOJGSA-N 1 3 252.446 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001206761062 813425797 /nfs/dbraw/zinc/42/57/97/813425797.db2.gz SIISTWDTUGEBMC-XHSDSOJGSA-N 1 3 252.446 3.428 20 0 CGADHO CCCCOc1ccc(CN2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767790 813430454 /nfs/dbraw/zinc/43/04/54/813430454.db2.gz FFPUDNWMJPQNJR-WBVHZDCISA-N 1 3 290.451 3.425 20 0 CGADHO CC(C)COc1ccc(CN2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767622 813430749 /nfs/dbraw/zinc/43/07/49/813430749.db2.gz CNPSOOUHUFIKCW-NVXWUHKLSA-N 1 3 290.451 3.281 20 0 CGADHO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc2ccsc2c1 ZINC001206806601 813441817 /nfs/dbraw/zinc/44/18/17/813441817.db2.gz GVHUCYFHBLFGDN-TZMCWYRMSA-N 1 3 274.433 3.461 20 0 CGADHO Cc1ncc(CN(C)CC2CC[NH+](C(C)C)CC2)s1 ZINC001207060012 813476399 /nfs/dbraw/zinc/47/63/99/813476399.db2.gz DEFJCENAODUKHI-UHFFFAOYSA-N 1 3 281.469 3.004 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001207261031 813523642 /nfs/dbraw/zinc/52/36/42/813523642.db2.gz IKKDSWBEZHHNAS-CALCHBBNSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001207261031 813523647 /nfs/dbraw/zinc/52/36/47/813523647.db2.gz IKKDSWBEZHHNAS-CALCHBBNSA-N 1 3 264.457 3.230 20 0 CGADHO COc1cccc(CCCN(C)CC(C)(C)C[NH+](C)C)c1 ZINC001207282554 813534251 /nfs/dbraw/zinc/53/42/51/813534251.db2.gz KYVDBPLSYNRFOC-UHFFFAOYSA-N 1 3 292.467 3.147 20 0 CGADHO CC/C=C\CCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208194585 813739368 /nfs/dbraw/zinc/73/93/68/813739368.db2.gz QHKZJZMTJASHPE-MBZYTVFJSA-N 1 3 264.457 3.397 20 0 CGADHO C[C@H]1C[C@H]1C[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429204 814029884 /nfs/dbraw/zinc/02/98/84/814029884.db2.gz VRXPEAFUEATVII-GJZGRUSLSA-N 1 3 264.457 3.371 20 0 CGADHO C[C@H]1C[C@H]1C[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001209429204 814029890 /nfs/dbraw/zinc/02/98/90/814029890.db2.gz VRXPEAFUEATVII-GJZGRUSLSA-N 1 3 264.457 3.371 20 0 CGADHO C(CN1CCCCC1)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001209453040 814048125 /nfs/dbraw/zinc/04/81/25/814048125.db2.gz XBNJRFIVKXHMBY-IAGOWNOFSA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CCCCC1)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001209453040 814048133 /nfs/dbraw/zinc/04/81/33/814048133.db2.gz XBNJRFIVKXHMBY-IAGOWNOFSA-N 1 3 264.457 3.375 20 0 CGADHO FC1(F)CCC(CN2CCC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001222259736 816390585 /nfs/dbraw/zinc/39/05/85/816390585.db2.gz YBPCATHRYOHRAL-HNNXBMFYSA-N 1 3 286.410 3.278 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001222531625 816462502 /nfs/dbraw/zinc/46/25/02/816462502.db2.gz FPWRVQZMEILTDH-UHFFFAOYSA-N 1 3 295.789 3.084 20 0 CGADHO c1c2cnccc2[nH]c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001232014923 818233574 /nfs/dbraw/zinc/23/35/74/818233574.db2.gz YHEWSXIKFHJKEA-KRWDZBQOSA-N 1 3 292.386 3.165 20 0 CGADHO c1c2cnccc2[nH]c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001232014923 818233581 /nfs/dbraw/zinc/23/35/81/818233581.db2.gz YHEWSXIKFHJKEA-KRWDZBQOSA-N 1 3 292.386 3.165 20 0 CGADHO CN(C)Cc1cc(F)cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC001232145589 818263722 /nfs/dbraw/zinc/26/37/22/818263722.db2.gz VPSXKEQIVUWUDM-HZPDHXFCSA-N 1 3 276.399 3.119 20 0 CGADHO c1ccc(CCCCCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235033121 818984228 /nfs/dbraw/zinc/98/42/28/818984228.db2.gz UALVGXXFYBEJRH-GOSISDBHSA-N 1 3 272.436 3.085 20 0 CGADHO Cc1c2ccccc2[nH]c1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235136508 819015155 /nfs/dbraw/zinc/01/51/55/819015155.db2.gz ZMMYBXUEOQBZAI-UHFFFAOYSA-N 1 3 297.446 3.442 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1C ZINC001235185439 819027520 /nfs/dbraw/zinc/02/75/20/819027520.db2.gz URIDGDHXKPAVLW-MSOLQXFVSA-N 1 3 286.463 3.270 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235208944 819036910 /nfs/dbraw/zinc/03/69/10/819036910.db2.gz CCEULOIRGYWVRW-ZACQAIPSSA-N 1 3 296.499 3.292 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CC[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235208944 819036913 /nfs/dbraw/zinc/03/69/13/819036913.db2.gz CCEULOIRGYWVRW-ZACQAIPSSA-N 1 3 296.499 3.292 20 0 CGADHO Cc1cc(CN2CCC(C3C[NH2+]C3)CC2)ccc1Cl ZINC001235336395 819070463 /nfs/dbraw/zinc/07/04/63/819070463.db2.gz XHQVHJYUFZSHRM-UHFFFAOYSA-N 1 3 278.827 3.080 20 0 CGADHO CC[C@H](C)C[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363759 819080030 /nfs/dbraw/zinc/08/00/30/819080030.db2.gz UBJRMWZGYCUZCO-UHOSZYNNSA-N 1 3 286.463 3.286 20 0 CGADHO CC[C@H](C)C[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235363759 819080037 /nfs/dbraw/zinc/08/00/37/819080037.db2.gz UBJRMWZGYCUZCO-UHOSZYNNSA-N 1 3 286.463 3.286 20 0 CGADHO CCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363559 819080664 /nfs/dbraw/zinc/08/06/64/819080664.db2.gz RPBVLORGQFYWIX-ROUUACIJSA-N 1 3 272.436 3.040 20 0 CGADHO CCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235363559 819080666 /nfs/dbraw/zinc/08/06/66/819080666.db2.gz RPBVLORGQFYWIX-ROUUACIJSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@@H](CN(C)CCC[NH3+])c1cccc2ccccc21 ZINC001235435243 819097956 /nfs/dbraw/zinc/09/79/56/819097956.db2.gz DVIDRMMYASCOPQ-AWEZNQCLSA-N 1 3 256.393 3.224 20 0 CGADHO C[C@@H](C[N@H+](C)CCCN)c1cccc2ccccc21 ZINC001235435243 819097962 /nfs/dbraw/zinc/09/79/62/819097962.db2.gz DVIDRMMYASCOPQ-AWEZNQCLSA-N 1 3 256.393 3.224 20 0 CGADHO C[C@@H](C[N@@H+](C)CCCN)c1cccc2ccccc21 ZINC001235435243 819097970 /nfs/dbraw/zinc/09/79/70/819097970.db2.gz DVIDRMMYASCOPQ-AWEZNQCLSA-N 1 3 256.393 3.224 20 0 CGADHO CN(CCC12CC3CC(CC(C3)C1)C2)C[C@@H]1CC[NH2+]C1 ZINC001235841979 819183088 /nfs/dbraw/zinc/18/30/88/819183088.db2.gz LCEPDILBZZWWLZ-CZVCLPBNSA-N 1 3 276.468 3.134 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](N)CC[C@H]2C)c2ccccc12 ZINC001235892076 819200708 /nfs/dbraw/zinc/20/07/08/819200708.db2.gz LJKZDWUXVSLYGY-ZBFHGGJFSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](N)CC[C@H]2C)c2ccccc12 ZINC001235892076 819200711 /nfs/dbraw/zinc/20/07/11/819200711.db2.gz LJKZDWUXVSLYGY-ZBFHGGJFSA-N 1 3 268.404 3.460 20 0 CGADHO CC(C)(C)Oc1ccc(CN2CCC[C@H]2CC[NH3+])cc1 ZINC001235925367 819224679 /nfs/dbraw/zinc/22/46/79/819224679.db2.gz JMYJPTPAJBIHBG-HNNXBMFYSA-N 1 3 276.424 3.177 20 0 CGADHO c1ccc(-c2ccc(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235929835 819228179 /nfs/dbraw/zinc/22/81/79/819228179.db2.gz UXEVPOYDDQMWLK-PMACEKPBSA-N 1 3 292.426 3.395 20 0 CGADHO c1ccc(-c2cccc(CN3C[C@@H]4CC[NH2+]C[C@H]4C3)c2)cc1 ZINC001235938873 819233055 /nfs/dbraw/zinc/23/30/55/819233055.db2.gz MECHKJLAKXMLLQ-PMACEKPBSA-N 1 3 292.426 3.395 20 0 CGADHO FC1(CN2CC[C@H](c3cccc(Cl)c3)C2)CC[NH2+]CC1 ZINC001235949723 819238964 /nfs/dbraw/zinc/23/89/64/819238964.db2.gz GOMCUOFJUCLRTP-AWEZNQCLSA-N 1 3 296.817 3.221 20 0 CGADHO CCSc1ccccc1CN1CC2(C1)CCC[NH2+]CC2 ZINC001236004846 819270617 /nfs/dbraw/zinc/27/06/17/819270617.db2.gz HQKZLLLIHWIWCP-UHFFFAOYSA-N 1 3 290.476 3.374 20 0 CGADHO CC1(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCCCC1 ZINC001236012509 819275010 /nfs/dbraw/zinc/27/50/10/819275010.db2.gz NGKMIVGYVLBWSZ-QUCCMNQESA-N 1 3 298.474 3.430 20 0 CGADHO NCc1cc(-c2cccc(C[NH+]3CCCCC3)c2F)ccn1 ZINC001236015957 819275876 /nfs/dbraw/zinc/27/58/76/819275876.db2.gz ROWRAMZAGXQNHH-UHFFFAOYSA-N 1 3 299.393 3.332 20 0 CGADHO C[N@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@@H]1N ZINC001236211811 819373541 /nfs/dbraw/zinc/37/35/41/819373541.db2.gz JJSKJNIZDKCORF-LSDHHAIUSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCCC[C@@H]1N ZINC001236211811 819373549 /nfs/dbraw/zinc/37/35/49/819373549.db2.gz JJSKJNIZDKCORF-LSDHHAIUSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@@H]1N ZINC001236212385 819374234 /nfs/dbraw/zinc/37/42/34/819374234.db2.gz KPVSTWKVDBAKBY-HOCLYGCPSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@@H]1N ZINC001236212385 819374240 /nfs/dbraw/zinc/37/42/40/819374240.db2.gz KPVSTWKVDBAKBY-HOCLYGCPSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@H]1N ZINC001236214593 819375687 /nfs/dbraw/zinc/37/56/87/819375687.db2.gz GKUVAYQVGORPIK-CABCVRRESA-N 1 3 276.355 3.274 20 0 CGADHO C[N@@H+](Cc1ccc(F)c2ccoc21)[C@H]1CCCC[C@H]1N ZINC001236214593 819375694 /nfs/dbraw/zinc/37/56/94/819375694.db2.gz GKUVAYQVGORPIK-CABCVRRESA-N 1 3 276.355 3.274 20 0 CGADHO CN(Cc1ccc(-n2cccc2)cc1)C1(C)CC[NH2+]CC1 ZINC001236226428 819390957 /nfs/dbraw/zinc/39/09/57/819390957.db2.gz LKIIAHYSVQPEOA-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO C[N@H+](Cc1ccc(-n2cccc2)cc1)C1(C)CCNCC1 ZINC001236226428 819390962 /nfs/dbraw/zinc/39/09/62/819390962.db2.gz LKIIAHYSVQPEOA-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO C[N@@H+](Cc1ccc(-n2cccc2)cc1)C1(C)CCNCC1 ZINC001236226428 819390967 /nfs/dbraw/zinc/39/09/67/819390967.db2.gz LKIIAHYSVQPEOA-UHFFFAOYSA-N 1 3 283.419 3.051 20 0 CGADHO Cc1nc(-c2cccc3c2CC[NH2+]C3)cc2[nH]ccc21 ZINC001236342751 819428998 /nfs/dbraw/zinc/42/89/98/819428998.db2.gz ZTEHUDBTVNRMSH-UHFFFAOYSA-N 1 3 263.344 3.184 20 0 CGADHO CCN(Cc1ccc(CC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236408017 819455685 /nfs/dbraw/zinc/45/56/85/819455685.db2.gz JSEDVUMUOFZPHI-GOSISDBHSA-N 1 3 274.452 3.317 20 0 CGADHO CCN(Cc1cccc(C(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236412656 819458670 /nfs/dbraw/zinc/45/86/70/819458670.db2.gz XDQPQMRZYVJFPQ-INIZCTEOSA-N 1 3 260.425 3.241 20 0 CGADHO Cn1ccc2c1cccc2CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236597765 819548915 /nfs/dbraw/zinc/54/89/15/819548915.db2.gz DYNNAQYYWQAGPV-OAHLLOKOSA-N 1 3 297.446 3.142 20 0 CGADHO Cc1cc(C[N@H+](C2CCC2)C2CCNCC2)sc1C ZINC001236636155 819557185 /nfs/dbraw/zinc/55/71/85/819557185.db2.gz ADFJYPDAQQAJAX-UHFFFAOYSA-N 1 3 278.465 3.471 20 0 CGADHO Cc1cc(C[N@@H+](C2CCC2)C2CCNCC2)sc1C ZINC001236636155 819557191 /nfs/dbraw/zinc/55/71/91/819557191.db2.gz ADFJYPDAQQAJAX-UHFFFAOYSA-N 1 3 278.465 3.471 20 0 CGADHO Cc1cc(CN(C2CCC2)C2CC[NH2+]CC2)sc1C ZINC001236636155 819557194 /nfs/dbraw/zinc/55/71/94/819557194.db2.gz ADFJYPDAQQAJAX-UHFFFAOYSA-N 1 3 278.465 3.471 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc(O)cc2ccccc21 ZINC001237076299 819659718 /nfs/dbraw/zinc/65/97/18/819659718.db2.gz LOCPTIAFFIRNEH-UHFFFAOYSA-N 1 3 286.419 3.319 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc(O)cc2ccccc21 ZINC001237076299 819659722 /nfs/dbraw/zinc/65/97/22/819659722.db2.gz LOCPTIAFFIRNEH-UHFFFAOYSA-N 1 3 286.419 3.319 20 0 CGADHO CN1CC[C@@]2(CC[N@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237075464 819660256 /nfs/dbraw/zinc/66/02/56/819660256.db2.gz DHLGATMEEJJNOV-LJQANCHMSA-N 1 3 296.414 3.073 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237075464 819660261 /nfs/dbraw/zinc/66/02/61/819660261.db2.gz DHLGATMEEJJNOV-LJQANCHMSA-N 1 3 296.414 3.073 20 0 CGADHO c1ccc2c(c1)CN(C[C@H]1CC=CCC1)C21CC[NH2+]CC1 ZINC001237301205 819721301 /nfs/dbraw/zinc/72/13/01/819721301.db2.gz UHOWUYONSFRXNE-INIZCTEOSA-N 1 3 282.431 3.437 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001237350993 819733962 /nfs/dbraw/zinc/73/39/62/819733962.db2.gz USVZLDXRXKKONX-UHFFFAOYSA-N 1 3 292.854 3.484 20 0 CGADHO Cc1cc(C[NH+]2CCC3(CN(C)C3)CC2)cc(C)c1Cl ZINC001238094604 819930843 /nfs/dbraw/zinc/93/08/43/819930843.db2.gz FBNKPMRPDYZYEP-UHFFFAOYSA-N 1 3 292.854 3.484 20 0 CGADHO Cc1cc(CN2CCC3(C[NH+](C)C3)CC2)cc(C)c1Cl ZINC001238094604 819930847 /nfs/dbraw/zinc/93/08/47/819930847.db2.gz FBNKPMRPDYZYEP-UHFFFAOYSA-N 1 3 292.854 3.484 20 0 CGADHO C[C@@H]([NH3+])c1cccc(-c2cccc(N3CCN(C)CC3)c2)c1 ZINC001243670931 823480818 /nfs/dbraw/zinc/48/08/18/823480818.db2.gz QNIZSXHHTNKLDC-OAHLLOKOSA-N 1 3 295.430 3.125 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC001340517709 936406718 /nfs/dbraw/zinc/40/67/18/936406718.db2.gz VLGWJDSNMNXONC-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO CC(C)(C[NH2+]CCCC(F)(F)F)CN1CCCC1 ZINC001343040172 936487727 /nfs/dbraw/zinc/48/77/27/936487727.db2.gz STSQYBILCPEGAN-UHFFFAOYSA-N 1 3 266.351 3.041 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC001350955780 937004418 /nfs/dbraw/zinc/00/44/18/937004418.db2.gz JSEDBCAZCJNCDD-UGUYLWEFSA-N 1 3 268.420 3.025 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC001461257344 937572753 /nfs/dbraw/zinc/57/27/53/937572753.db2.gz PIHDKNWBICMYQX-FWEDBPMCSA-N 1 3 276.399 3.301 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001308553113 933130574 /nfs/dbraw/zinc/13/05/74/933130574.db2.gz HCIGSXYQCFXQKT-DRRXZNNHSA-N 1 3 264.457 3.131 20 0 CGADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@H](C)N2CCCCC2)C1(C)C ZINC001308683322 933157151 /nfs/dbraw/zinc/15/71/51/933157151.db2.gz MTJKQWNQLZJOCD-YESZJQIVSA-N 1 3 296.499 3.433 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC001308847120 933189454 /nfs/dbraw/zinc/18/94/54/933189454.db2.gz BKUOLLDBFPJTBQ-HUUCEWRRSA-N 1 3 286.529 3.474 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC001308847120 933189456 /nfs/dbraw/zinc/18/94/56/933189456.db2.gz BKUOLLDBFPJTBQ-HUUCEWRRSA-N 1 3 286.529 3.474 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](CC(C)C)c2ccccn2)C1 ZINC001319199293 933841868 /nfs/dbraw/zinc/84/18/68/933841868.db2.gz VIOKNQORHXIHNJ-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO Cc1cnc2ccccc2c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001319656104 933910079 /nfs/dbraw/zinc/91/00/79/933910079.db2.gz XBONZCMVMVTAQE-HNNXBMFYSA-N 1 3 283.419 3.107 20 0 CGADHO Cc1cnc2ccccc2c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001319656104 933910082 /nfs/dbraw/zinc/91/00/82/933910082.db2.gz XBONZCMVMVTAQE-HNNXBMFYSA-N 1 3 283.419 3.107 20 0 CGADHO C[C@@H](C[NH2+]CCc1ccc(F)cc1)CN1CCCCC1 ZINC001319917693 933958448 /nfs/dbraw/zinc/95/84/48/933958448.db2.gz LVDSRGDMUXBJLV-HNNXBMFYSA-N 1 3 278.415 3.080 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(=C4CCC4)CC3)[C@H]2C1 ZINC001474757062 934177817 /nfs/dbraw/zinc/17/78/17/934177817.db2.gz PCMZIEGVHKXSFZ-RYQLBKOJSA-N 1 3 274.452 3.339 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC001323977231 934443924 /nfs/dbraw/zinc/44/39/24/934443924.db2.gz NBJRLMPNWZFSRU-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3OC)C1 ZINC001323977231 934443928 /nfs/dbraw/zinc/44/39/28/934443928.db2.gz NBJRLMPNWZFSRU-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3OC)C1 ZINC001323977231 934443933 /nfs/dbraw/zinc/44/39/33/934443933.db2.gz NBJRLMPNWZFSRU-PBHICJAKSA-N 1 3 288.435 3.004 20 0 CGADHO CN(C)c1ccc(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC001325744325 934925690 /nfs/dbraw/zinc/92/56/90/934925690.db2.gz UZKZOAXNESUFAF-MOPGFXCFSA-N 1 3 295.430 3.030 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](C)Cc1ccccc1C(F)(F)F ZINC001325742063 934926075 /nfs/dbraw/zinc/92/60/75/934926075.db2.gz AMASQCUMDSMPNI-VXGBXAGGSA-N 1 3 288.357 3.224 20 0 CGADHO Clc1cscc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001326202950 934958698 /nfs/dbraw/zinc/95/86/98/934958698.db2.gz XZJFQGNPVJRSFD-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC001329068962 935182932 /nfs/dbraw/zinc/18/29/32/935182932.db2.gz WIHOJYANUXIIKX-WMZOPIPTSA-N 1 3 274.452 3.248 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)nc2)C1 ZINC001335972804 936170311 /nfs/dbraw/zinc/17/03/11/936170311.db2.gz OTWWTZHDTNWENJ-OLZOCXBDSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC001474435275 937859540 /nfs/dbraw/zinc/85/95/40/937859540.db2.gz CZTDTXCIOFKCLL-QZWWFDLISA-N 1 3 294.483 3.044 20 0 CGADHO F[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001553024499 938195945 /nfs/dbraw/zinc/19/59/45/938195945.db2.gz GKXGLHZMMYZVBU-SVGFKBNWSA-N 1 3 282.447 3.273 20 0 CGADHO Fc1ccc(/C=C\C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001560274979 938250632 /nfs/dbraw/zinc/25/06/32/938250632.db2.gz VDOYHOHITFSMDI-UPHRSURJSA-N 1 3 288.410 3.303 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2cccc(CC3CCC3)c2)C1 ZINC001560326615 938253338 /nfs/dbraw/zinc/25/33/38/938253338.db2.gz GDMYCHKIOIGIDE-IBGZPJMESA-N 1 3 286.463 3.461 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2cccc(CC3CCC3)c2)C1 ZINC001560326615 938253339 /nfs/dbraw/zinc/25/33/39/938253339.db2.gz GDMYCHKIOIGIDE-IBGZPJMESA-N 1 3 286.463 3.461 20 0 CGADHO Cc1ccc(CN2CCC(CC[NH+](C)C)CC2)c(F)c1 ZINC001560648168 938268064 /nfs/dbraw/zinc/26/80/64/938268064.db2.gz KZWPFAXXIGTUSD-UHFFFAOYSA-N 1 3 278.415 3.298 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814089 938277631 /nfs/dbraw/zinc/27/76/31/938277631.db2.gz OXFAAXIKYQHVBB-PKOBYXMFSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814089 938277632 /nfs/dbraw/zinc/27/76/32/938277632.db2.gz OXFAAXIKYQHVBB-PKOBYXMFSA-N 1 3 284.447 3.091 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001561055731 938292593 /nfs/dbraw/zinc/29/25/93/938292593.db2.gz VKWGXOLQCCPMNW-XRGAULLZSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCc1ccc2c(c1)CCCC2 ZINC001575417230 962365130 /nfs/dbraw/zinc/36/51/30/962365130.db2.gz ARJDHJHAJCBCDA-QGZVFWFLSA-N 1 3 260.425 3.028 20 0 CGADHO C[C@]1(CN[C@@H](C[NH3+])C2CCCCC2)CC1(Cl)Cl ZINC001576519879 962468504 /nfs/dbraw/zinc/46/85/04/962468504.db2.gz VMWJJEAWDZYXES-NWDGAFQWSA-N 1 3 279.255 3.068 20 0 CGADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001576850872 962489514 /nfs/dbraw/zinc/48/95/14/962489514.db2.gz WXPXEMUAMYALBW-DZOHQFGASA-N 1 3 272.436 3.300 20 0 CGADHO CCC(CC)(C[NH3+])CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001577050819 962505542 /nfs/dbraw/zinc/50/55/42/962505542.db2.gz GIZVVMBCHBDJLG-LBPRGKRZSA-N 1 3 296.352 3.118 20 0 CGADHO CC[C@H](CSc1ccccc1)NC[C@@H]([NH3+])CC(F)F ZINC001577093849 962508865 /nfs/dbraw/zinc/50/88/65/962508865.db2.gz YZPPBUAILMOTOD-NWDGAFQWSA-N 1 3 288.407 3.129 20 0 CGADHO CCC(CC)(C[NH3+])CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001577050818 962511814 /nfs/dbraw/zinc/51/18/14/962511814.db2.gz GIZVVMBCHBDJLG-GFCCVEGCSA-N 1 3 296.352 3.118 20 0 CGADHO CCOc1ccc(CNCc2ccc(C[NH3+])cc2)c(C)c1 ZINC001578179658 962573193 /nfs/dbraw/zinc/57/31/93/962573193.db2.gz VXJANRGWVPTMGT-UHFFFAOYSA-N 1 3 284.403 3.142 20 0 CGADHO C[NH2+]C[C@@H]1CCN(C[C@@H](C)CSc2ccccc2C)C1 ZINC001578664455 962590788 /nfs/dbraw/zinc/59/07/88/962590788.db2.gz YOYQOIOMCZQRCW-ZBFHGGJFSA-N 1 3 292.492 3.265 20 0 CGADHO C[C@@H]1CNC[C@H]1[NH2+]CC1CCC2(CCCCC2)CC1 ZINC001579467462 962626634 /nfs/dbraw/zinc/62/66/34/962626634.db2.gz HMHDNAYISHLSFV-GDBMZVCRSA-N 1 3 264.457 3.325 20 0 CGADHO CCCc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000621728124 349569817 /nfs/dbraw/zinc/56/98/17/349569817.db2.gz BZEGJOVJRJLBTD-BBRMVZONSA-N 1 3 280.481 3.473 20 0 CGADHO CCCc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000621728124 349569819 /nfs/dbraw/zinc/56/98/19/349569819.db2.gz BZEGJOVJRJLBTD-BBRMVZONSA-N 1 3 280.481 3.473 20 0 CGADHO C[C@H](COCC1CC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000651982868 398316287 /nfs/dbraw/zinc/31/62/87/398316287.db2.gz JLZVNDBHTMWJQU-OAHLLOKOSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN ZINC000423300898 529416705 /nfs/dbraw/zinc/41/67/05/529416705.db2.gz SLCMLBLSNGAGRI-WCQYABFASA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)NC[C@@H](C)C[NH3+] ZINC000423300898 529416704 /nfs/dbraw/zinc/41/67/04/529416704.db2.gz SLCMLBLSNGAGRI-WCQYABFASA-N 1 3 286.872 3.395 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468464 529453530 /nfs/dbraw/zinc/45/35/30/529453530.db2.gz OKFNMXKUUKOZBX-HKUYNNGSSA-N 1 3 298.430 3.306 20 0 CGADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125947433 187206712 /nfs/dbraw/zinc/20/67/12/187206712.db2.gz REIOQOOMCZKCKL-HOTGVXAUSA-N 1 3 290.451 3.466 20 0 CGADHO CC[C@H](NC[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000423235572 529611721 /nfs/dbraw/zinc/61/17/21/529611721.db2.gz GNIAERUBRGVGLJ-KGLIPLIRSA-N 1 3 260.406 3.489 20 0 CGADHO COc1cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)ccc1Cl ZINC000623358467 349788347 /nfs/dbraw/zinc/78/83/47/349788347.db2.gz BJHVKTGBEHCKBY-CABCVRRESA-N 1 3 294.826 3.065 20 0 CGADHO CCOc1cccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623359350 349788363 /nfs/dbraw/zinc/78/83/63/349788363.db2.gz MXHUZLCFPRQDEP-HNNXBMFYSA-N 1 3 276.424 3.048 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000423383695 529657504 /nfs/dbraw/zinc/65/75/04/529657504.db2.gz KPCHPDNTYSMRQA-LZWOXQAQSA-N 1 3 262.397 3.006 20 0 CGADHO CCOc1ccccc1CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623405358 349800553 /nfs/dbraw/zinc/80/05/53/349800553.db2.gz DEUFWTNIGPKVTG-MRXNPFEDSA-N 1 3 290.451 3.090 20 0 CGADHO CCOc1ccccc1CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623405358 349800557 /nfs/dbraw/zinc/80/05/57/349800557.db2.gz DEUFWTNIGPKVTG-MRXNPFEDSA-N 1 3 290.451 3.090 20 0 CGADHO CCc1nc(C)c([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000414185514 529728908 /nfs/dbraw/zinc/72/89/08/529728908.db2.gz OUHOPLOQYFTUSV-OCCSQVGLSA-N 1 3 295.496 3.396 20 0 CGADHO CCc1nc(C)c([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000414185514 529728910 /nfs/dbraw/zinc/72/89/10/529728910.db2.gz OUHOPLOQYFTUSV-OCCSQVGLSA-N 1 3 295.496 3.396 20 0 CGADHO C[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000623656826 349858659 /nfs/dbraw/zinc/85/86/59/349858659.db2.gz CPHWQFAMDQJHOJ-LSDHHAIUSA-N 1 3 278.415 3.251 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623656898 349858676 /nfs/dbraw/zinc/85/86/76/349858676.db2.gz FDPIKUUMUACEDP-UAGQMJEPSA-N 1 3 264.457 3.300 20 0 CGADHO CCc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623655177 349856983 /nfs/dbraw/zinc/85/69/83/349856983.db2.gz QIRUROLDZIABTI-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)C1(C)C ZINC000085379107 260203276 /nfs/dbraw/zinc/20/32/76/260203276.db2.gz VICQQYUMOPJCEA-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)C1(C)C ZINC000085379107 260203277 /nfs/dbraw/zinc/20/32/77/260203277.db2.gz VICQQYUMOPJCEA-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000085379107 260203279 /nfs/dbraw/zinc/20/32/79/260203279.db2.gz VICQQYUMOPJCEA-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000414838569 290717632 /nfs/dbraw/zinc/71/76/32/290717632.db2.gz LHMWEYUQWXFMTN-QWRGUYRKSA-N 1 3 289.250 3.370 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(OC)c2ccccc21 ZINC000423270768 529999544 /nfs/dbraw/zinc/99/95/44/529999544.db2.gz ILDYXZUCHXZBFW-KBPBESRZSA-N 1 3 286.419 3.355 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423270702 529999750 /nfs/dbraw/zinc/99/97/50/529999750.db2.gz IDAUVJOFXXSMPG-YNEHKIRRSA-N 1 3 291.464 3.233 20 0 CGADHO [NH3+]C[C@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000038328256 344955536 /nfs/dbraw/zinc/95/55/36/344955536.db2.gz AQUSKRWALVNRRM-GFCCVEGCSA-N 1 3 260.406 3.072 20 0 CGADHO Cc1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000040620628 344963982 /nfs/dbraw/zinc/96/39/82/344963982.db2.gz IMCFRBJCBANGBK-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO Cc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000040620628 344963984 /nfs/dbraw/zinc/96/39/84/344963984.db2.gz IMCFRBJCBANGBK-MRXNPFEDSA-N 1 3 260.425 3.123 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040622712 344964279 /nfs/dbraw/zinc/96/42/79/344964279.db2.gz PIIXPUWYXGMNBM-FAEJEUNOSA-N 1 3 272.436 3.253 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNC2CC(c3ccccc3)C2)C1 ZINC000040622712 344964282 /nfs/dbraw/zinc/96/42/82/344964282.db2.gz PIIXPUWYXGMNBM-FAEJEUNOSA-N 1 3 272.436 3.253 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNC2CC(c3ccccc3)C2)C1 ZINC000040622712 344964286 /nfs/dbraw/zinc/96/42/86/344964286.db2.gz PIIXPUWYXGMNBM-FAEJEUNOSA-N 1 3 272.436 3.253 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000044517823 345012283 /nfs/dbraw/zinc/01/22/83/345012283.db2.gz LDMXUKNCBLMDMR-HNNXBMFYSA-N 1 3 290.451 3.386 20 0 CGADHO C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C(C1CC1)C1CC1 ZINC000093491861 345880872 /nfs/dbraw/zinc/88/08/72/345880872.db2.gz YLWUOHKFQZPIFI-NXHRZFHOSA-N 1 3 276.468 3.323 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@@H+]2C[C@H](CN)C[C@@H]2C)c(C)c1 ZINC000131715098 346067438 /nfs/dbraw/zinc/06/74/38/346067438.db2.gz ZTVBCRVADKMKDF-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cc(C)c([C@H](C)[N@H+]2C[C@H](CN)C[C@@H]2C)c(C)c1 ZINC000131715098 346067442 /nfs/dbraw/zinc/06/74/42/346067442.db2.gz ZTVBCRVADKMKDF-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(OC)cc1F ZINC000228595587 346314714 /nfs/dbraw/zinc/31/47/14/346314714.db2.gz CZKGHFHGAOIMDW-CQSZACIVSA-N 1 3 296.430 3.434 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000252125550 346389908 /nfs/dbraw/zinc/38/99/08/346389908.db2.gz LJDUGUHUCAMLPH-QXSJWSMHSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000311466006 346474041 /nfs/dbraw/zinc/47/40/41/346474041.db2.gz XDCYMLZKKZPPML-KEYYUXOJSA-N 1 3 258.409 3.166 20 0 CGADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000311466006 346474043 /nfs/dbraw/zinc/47/40/43/346474043.db2.gz XDCYMLZKKZPPML-KEYYUXOJSA-N 1 3 258.409 3.166 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccs1 ZINC000624119388 349975687 /nfs/dbraw/zinc/97/56/87/349975687.db2.gz AMUBOUKHMOFXEC-OLZOCXBDSA-N 1 3 252.427 3.131 20 0 CGADHO CCSC1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000596653925 347499267 /nfs/dbraw/zinc/49/92/67/347499267.db2.gz XXNFAWJRRAUGBM-QLFBSQMISA-N 1 3 282.497 3.173 20 0 CGADHO CCSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000596653925 347499271 /nfs/dbraw/zinc/49/92/71/347499271.db2.gz XXNFAWJRRAUGBM-QLFBSQMISA-N 1 3 282.497 3.173 20 0 CGADHO CSCC1(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000596648936 347497802 /nfs/dbraw/zinc/49/78/02/347497802.db2.gz BNPIWRKEGZMYSJ-CABCVRRESA-N 1 3 276.449 3.254 20 0 CGADHO CSCC1(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000596653044 347498437 /nfs/dbraw/zinc/49/84/37/347498437.db2.gz YVJCMUIXWQLTHM-LBPRGKRZSA-N 1 3 293.480 3.033 20 0 CGADHO COc1ccc(F)c(CNC2CCC(C[NH+](C)C)CC2)c1 ZINC000339315062 215089064 /nfs/dbraw/zinc/08/90/64/215089064.db2.gz JGEQTQYYCOYDTQ-UHFFFAOYSA-N 1 3 294.414 3.044 20 0 CGADHO CCSC1(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000596652348 347498676 /nfs/dbraw/zinc/49/86/76/347498676.db2.gz PTKCPPUAKHNKBE-ZIAGYGMSSA-N 1 3 270.486 3.173 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000624120659 349976927 /nfs/dbraw/zinc/97/69/27/349976927.db2.gz DOVZTHIXBMTIQD-OIISXLGYSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(F)cc1 ZINC000624119766 349977324 /nfs/dbraw/zinc/97/73/24/349977324.db2.gz JBHQBYMFBVPJPT-UONOGXRCSA-N 1 3 264.388 3.208 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000624121004 349978078 /nfs/dbraw/zinc/97/80/78/349978078.db2.gz LMJOSCUWXYEBMI-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCC[N@H+](C)C1)CC2 ZINC000624121004 349978083 /nfs/dbraw/zinc/97/80/83/349978083.db2.gz LMJOSCUWXYEBMI-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)CC2 ZINC000624121004 349978087 /nfs/dbraw/zinc/97/80/87/349978087.db2.gz LMJOSCUWXYEBMI-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000624123013 349981168 /nfs/dbraw/zinc/98/11/68/349981168.db2.gz DCPWQTZJPIXXHR-QAPCUYQASA-N 1 3 287.451 3.244 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000624122529 349981791 /nfs/dbraw/zinc/98/17/91/349981791.db2.gz UBONHGIWYAFMBF-OIISXLGYSA-N 1 3 264.457 3.277 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000624123957 349982560 /nfs/dbraw/zinc/98/25/60/349982560.db2.gz USSALYUKKLVZDD-KSSFIOAISA-N 1 3 288.435 3.091 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000358381581 233121322 /nfs/dbraw/zinc/12/13/22/233121322.db2.gz MHKUPBLUQOOMCI-KCQAQPDRSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1F ZINC000358381581 233121324 /nfs/dbraw/zinc/12/13/24/233121324.db2.gz MHKUPBLUQOOMCI-KCQAQPDRSA-N 1 3 264.388 3.267 20 0 CGADHO CCCc1ccc(CNC2CC[NH+](CC)CC2)cc1 ZINC000620436220 349372435 /nfs/dbraw/zinc/37/24/35/349372435.db2.gz BVYOFSJUNMSRQT-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000624308981 350022586 /nfs/dbraw/zinc/02/25/86/350022586.db2.gz AWKCIWYFSFXLTH-AHCXZYCDSA-N 1 3 294.483 3.044 20 0 CGADHO Fc1ccccc1CN(CCC1CC[NH2+]CC1)C1CC1 ZINC000359197788 233278640 /nfs/dbraw/zinc/27/86/40/233278640.db2.gz BNDMDLMSEOHPPS-UHFFFAOYSA-N 1 3 276.399 3.180 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H]1COC(C)(C)C1 ZINC000626063997 350255392 /nfs/dbraw/zinc/25/53/92/350255392.db2.gz YLHVHFPVMHOGFA-QGZVFWFLSA-N 1 3 290.451 3.138 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@H]1COC(C)(C)C1 ZINC000626063997 350255393 /nfs/dbraw/zinc/25/53/93/350255393.db2.gz YLHVHFPVMHOGFA-QGZVFWFLSA-N 1 3 290.451 3.138 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@H]1COC(C)(C)C1 ZINC000626063997 350255394 /nfs/dbraw/zinc/25/53/94/350255394.db2.gz YLHVHFPVMHOGFA-QGZVFWFLSA-N 1 3 290.451 3.138 20 0 CGADHO CC[C@H]1CCCC[C@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000628170277 350421014 /nfs/dbraw/zinc/42/10/14/350421014.db2.gz VSGJKWJYXFYXJS-IRXDYDNUSA-N 1 3 296.499 3.245 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628184047 350427741 /nfs/dbraw/zinc/42/77/41/350427741.db2.gz XUGHYTAWQVWTPB-QGZVFWFLSA-N 1 3 285.435 3.474 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628184047 350427744 /nfs/dbraw/zinc/42/77/44/350427744.db2.gz XUGHYTAWQVWTPB-QGZVFWFLSA-N 1 3 285.435 3.474 20 0 CGADHO C[C@@]1(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CCCS1 ZINC000628184549 350428524 /nfs/dbraw/zinc/42/85/24/350428524.db2.gz PTRZPLUHRZJXDX-HOTGVXAUSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@@]1(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CCCS1 ZINC000628184549 350428527 /nfs/dbraw/zinc/42/85/27/350428527.db2.gz PTRZPLUHRZJXDX-HOTGVXAUSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@@]1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CCCS1 ZINC000628184549 350428530 /nfs/dbraw/zinc/42/85/30/350428530.db2.gz PTRZPLUHRZJXDX-HOTGVXAUSA-N 1 3 282.497 3.080 20 0 CGADHO C[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1ccccc1 ZINC000628425560 350536445 /nfs/dbraw/zinc/53/64/45/350536445.db2.gz ORAWUWXPKPGKOK-HOTGVXAUSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000629531194 350704336 /nfs/dbraw/zinc/70/43/36/350704336.db2.gz CZQCAKZGKCBXDB-BRSBDYLESA-N 1 3 296.499 3.338 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CN1 ZINC000629535388 350705200 /nfs/dbraw/zinc/70/52/00/350705200.db2.gz CEEZRMUGMAUGLG-XNJGSVPQSA-N 1 3 283.419 3.275 20 0 CGADHO Cc1ccc2ncc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2c1 ZINC000629540477 350706840 /nfs/dbraw/zinc/70/68/40/350706840.db2.gz PNGZIJSUAQVZJI-DAYGRLMNSA-N 1 3 297.446 3.348 20 0 CGADHO Clc1ccc2c(c1)[C@H](N[C@@H]1CCC[NH2+]CC1)CCC2 ZINC000629556495 350713113 /nfs/dbraw/zinc/71/31/13/350713113.db2.gz QWTSVCLTIGLTGJ-GDBMZVCRSA-N 1 3 278.827 3.449 20 0 CGADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000629406245 350689291 /nfs/dbraw/zinc/68/92/91/350689291.db2.gz LJCXTXRYYXYVTD-RKTXRCNFSA-N 1 3 258.409 3.053 20 0 CGADHO Cc1ccc(CNCCCC[N@@H+](C)C2CC2)c(F)c1 ZINC000631155838 350972343 /nfs/dbraw/zinc/97/23/43/350972343.db2.gz SPHBXEPGGWUCHX-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO Cc1ccc(CNCCCC[N@H+](C)C2CC2)c(F)c1 ZINC000631155838 350972346 /nfs/dbraw/zinc/97/23/46/350972346.db2.gz SPHBXEPGGWUCHX-UHFFFAOYSA-N 1 3 264.388 3.098 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@H]2CCC[C@@H]21 ZINC000631807713 351145785 /nfs/dbraw/zinc/14/57/85/351145785.db2.gz NYJUISCWKPKEOM-NJAFHUGGSA-N 1 3 283.419 3.130 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@H]2CCC[C@@H]21 ZINC000631807713 351145788 /nfs/dbraw/zinc/14/57/88/351145788.db2.gz NYJUISCWKPKEOM-NJAFHUGGSA-N 1 3 283.419 3.130 20 0 CGADHO C[C@@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)c1ccc(F)cc1 ZINC000634733948 351579293 /nfs/dbraw/zinc/57/92/93/351579293.db2.gz SIKSXXQUDHFPPA-XJKSGUPXSA-N 1 3 278.415 3.297 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635023764 351634078 /nfs/dbraw/zinc/63/40/78/351634078.db2.gz SEAHCTRRGCBHTF-IBGZPJMESA-N 1 3 278.399 3.109 20 0 CGADHO COc1ccc([C@@H](C)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000635003977 351621631 /nfs/dbraw/zinc/62/16/31/351621631.db2.gz GGIOOPRXVOVPJQ-QAPCUYQASA-N 1 3 298.430 3.306 20 0 CGADHO C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635005328 351623797 /nfs/dbraw/zinc/62/37/97/351623797.db2.gz JCLLIJKSSURBDB-RDJZCZTQSA-N 1 3 289.467 3.161 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635006202 351624816 /nfs/dbraw/zinc/62/48/16/351624816.db2.gz LFAMXBSRKQSJBG-JKSUJKDBSA-N 1 3 260.425 3.115 20 0 CGADHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635006276 351624825 /nfs/dbraw/zinc/62/48/25/351624825.db2.gz LJYYYOMDCGYLGA-IAAVTCLWSA-N 1 3 299.462 3.096 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000635007854 351626577 /nfs/dbraw/zinc/62/65/77/351626577.db2.gz XZQBNKGALTWSFT-IEZWGBDMSA-N 1 3 295.430 3.278 20 0 CGADHO COc1ccc([C@@H](C)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635010039 351628040 /nfs/dbraw/zinc/62/80/40/351628040.db2.gz IVADRDWJWSLXPN-UKRRQHHQSA-N 1 3 276.424 3.124 20 0 CGADHO Cc1ccc([C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010024 351628545 /nfs/dbraw/zinc/62/85/45/351628545.db2.gz IRQJXKXTWPOWIP-OLZOCXBDSA-N 1 3 266.454 3.485 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCc3ccccc32)C1 ZINC000635012605 351630431 /nfs/dbraw/zinc/63/04/31/351630431.db2.gz UMVRYNWZSZSRBK-ZBFHGGJFSA-N 1 3 258.409 3.042 20 0 CGADHO COc1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)CC2 ZINC000635013485 351631646 /nfs/dbraw/zinc/63/16/46/351631646.db2.gz YLECYCCCZMTUFV-YOEHRIQHSA-N 1 3 288.435 3.050 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccco2)CC1 ZINC000121763997 186994135 /nfs/dbraw/zinc/99/41/35/186994135.db2.gz OTWGBQMHERYFFW-ZDUSSCGKSA-N 1 3 250.386 3.052 20 0 CGADHO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCCN2CCCCC2)C1 ZINC000366002331 234143968 /nfs/dbraw/zinc/14/39/68/234143968.db2.gz UXJHHHFWHFYFFK-FUHWJXTLSA-N 1 3 287.451 3.341 20 0 CGADHO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCCN2CCCCC2)C1 ZINC000366002331 234143971 /nfs/dbraw/zinc/14/39/71/234143971.db2.gz UXJHHHFWHFYFFK-FUHWJXTLSA-N 1 3 287.451 3.341 20 0 CGADHO CCOc1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1F ZINC000152788571 188043611 /nfs/dbraw/zinc/04/36/11/188043611.db2.gz SBUUFBOTMUAPGY-XEZPLFJOSA-N 1 3 294.414 3.043 20 0 CGADHO COc1ccc2cc(C[NH2+]CC3=CCN(C)CC3)ccc2c1 ZINC000271872055 191380006 /nfs/dbraw/zinc/38/00/06/191380006.db2.gz YARFCURMISFLAO-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccccc1OC(F)F ZINC000271904039 191399850 /nfs/dbraw/zinc/39/98/50/191399850.db2.gz WDXPVUTWPDXBDD-LBPRGKRZSA-N 1 3 296.361 3.201 20 0 CGADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000271904039 191399853 /nfs/dbraw/zinc/39/98/53/191399853.db2.gz WDXPVUTWPDXBDD-LBPRGKRZSA-N 1 3 296.361 3.201 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1F ZINC000414201330 235362520 /nfs/dbraw/zinc/36/25/20/235362520.db2.gz YAJTXVOEEZYJKF-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1F ZINC000414201330 235362522 /nfs/dbraw/zinc/36/25/22/235362522.db2.gz YAJTXVOEEZYJKF-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)CCN1 ZINC000414944862 297283186 /nfs/dbraw/zinc/28/31/86/297283186.db2.gz HLMSBQVJBSDTMA-URGYJCLVSA-N 1 3 252.446 3.321 20 0 CGADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1cccc(Cl)c1 ZINC000422916934 235941279 /nfs/dbraw/zinc/94/12/79/235941279.db2.gz BZAUBASQMKRFSB-APHBMKBZSA-N 1 3 296.842 3.005 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423092719 235972027 /nfs/dbraw/zinc/97/20/27/235972027.db2.gz DCWXGNKALWKIHU-DARAHFNDSA-N 1 3 278.827 3.303 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423223403 236000399 /nfs/dbraw/zinc/00/03/99/236000399.db2.gz GJPGZZYEIXZATD-UONOGXRCSA-N 1 3 269.392 3.137 20 0 CGADHO COc1ccc([C@@H](CCC(C)C)NCC[C@H](C)[NH3+])cc1 ZINC000423228067 236003674 /nfs/dbraw/zinc/00/36/74/236003674.db2.gz YBMSQMGYYWLCPI-WMLDXEAASA-N 1 3 278.440 3.499 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(F)c2ccccc21 ZINC000423282861 236021996 /nfs/dbraw/zinc/02/19/96/236021996.db2.gz DCOUBXKRXWGDPU-NSHDSACASA-N 1 3 260.356 3.367 20 0 CGADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000423265758 236014617 /nfs/dbraw/zinc/01/46/17/236014617.db2.gz CYNORPXNCQKDHP-QILLFSRXSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(-n2ccnc2)cc1 ZINC000423265758 236014618 /nfs/dbraw/zinc/01/46/18/236014618.db2.gz CYNORPXNCQKDHP-QILLFSRXSA-N 1 3 298.434 3.040 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NC[C@@H]([NH3+])C1CC1 ZINC000423314860 236035687 /nfs/dbraw/zinc/03/56/87/236035687.db2.gz HZFSMSPPQOERPK-ZIBATOQPSA-N 1 3 266.816 3.159 20 0 CGADHO N[C@H](C[NH2+][C@H](Cc1ccccc1F)c1ccccc1)C1CC1 ZINC000423317878 236036449 /nfs/dbraw/zinc/03/64/49/236036449.db2.gz KTYUGNIEVRAILX-RTBURBONSA-N 1 3 298.405 3.436 20 0 CGADHO C[C@H](NCCCC[NH3+])c1csc(-c2ccccc2F)n1 ZINC000423331364 236041088 /nfs/dbraw/zinc/04/10/88/236041088.db2.gz QBZSTKWYIGTYLL-NSHDSACASA-N 1 3 293.411 3.339 20 0 CGADHO Cc1cc([C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C2CC2)ccc1F ZINC000423390202 236060112 /nfs/dbraw/zinc/06/01/12/236060112.db2.gz JVZKGHMPVGUXIZ-JCURWCKSSA-N 1 3 276.399 3.173 20 0 CGADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccccn1 ZINC000423494852 236086089 /nfs/dbraw/zinc/08/60/89/236086089.db2.gz BCUVDXFHQKTETN-WMLDXEAASA-N 1 3 269.392 3.212 20 0 CGADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)sc1Br ZINC000423455851 236074992 /nfs/dbraw/zinc/07/49/92/236074992.db2.gz DASYFDASPUAVFW-VGMNWLOBSA-N 1 3 291.258 3.205 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000423465850 236077746 /nfs/dbraw/zinc/07/77/46/236077746.db2.gz HYRQDLZELIMSIG-KVSKMBFKSA-N 1 3 295.430 3.278 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccsc1Cl)CC[NH2+]CC2 ZINC000424386972 236159380 /nfs/dbraw/zinc/15/93/80/236159380.db2.gz XWTHKBLZODLGKY-LLVKDONJSA-N 1 3 284.856 3.366 20 0 CGADHO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000424343976 236153818 /nfs/dbraw/zinc/15/38/18/236153818.db2.gz HMVXHMRBVMMOSE-MXASKKJJSA-N 1 3 288.435 3.076 20 0 CGADHO Cc1cc(CN2CCC(CC[NH+](C)C)CC2)cs1 ZINC000294787394 199182748 /nfs/dbraw/zinc/18/27/48/199182748.db2.gz KMZMSYKQTQFOKO-UHFFFAOYSA-N 1 3 266.454 3.220 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)CN1CCCC1 ZINC000252154424 295974725 /nfs/dbraw/zinc/97/47/25/295974725.db2.gz OYXIBQOUVOSHKM-QXSJWSMHSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000178040387 299289755 /nfs/dbraw/zinc/28/97/55/299289755.db2.gz LZFBXDRYMGDZIP-OAGGEKHMSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCC(C(F)(F)F)CC1 ZINC000423218766 299308540 /nfs/dbraw/zinc/30/85/40/299308540.db2.gz VZXNFEOFHGWPEM-MRFVTOPCSA-N 1 3 292.389 3.333 20 0 CGADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCCCCC1 ZINC000423349343 299312017 /nfs/dbraw/zinc/31/20/17/299312017.db2.gz VPEJNQGKZHIDLU-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@H](CC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000449100830 239178240 /nfs/dbraw/zinc/17/82/40/239178240.db2.gz CKYUVDKRRJFKDC-BZUAXINKSA-N 1 3 284.488 3.290 20 0 CGADHO C[C@H](CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)N(C)C ZINC000449219734 239250551 /nfs/dbraw/zinc/25/05/51/239250551.db2.gz BFQQEQYPLQJVEL-OAHLLOKOSA-N 1 3 297.531 3.205 20 0 CGADHO CC[C@H](C[N@@H+]1CC[C@H](CN(C)CC)C1)c1ccccc1 ZINC000537648072 376190494 /nfs/dbraw/zinc/19/04/94/376190494.db2.gz QXHLAFMBQDLIKB-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@H](C[N@H+]1CC[C@H](CN(C)CC)C1)c1ccccc1 ZINC000537648072 376190496 /nfs/dbraw/zinc/19/04/96/376190496.db2.gz QXHLAFMBQDLIKB-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@H](CN1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000537648072 376190500 /nfs/dbraw/zinc/19/05/00/376190500.db2.gz QXHLAFMBQDLIKB-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO CC[C@H](CN1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000537648072 376190502 /nfs/dbraw/zinc/19/05/02/376190502.db2.gz QXHLAFMBQDLIKB-IAGOWNOFSA-N 1 3 274.452 3.454 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)[C@H]1C[C@H]1C ZINC000414110707 299344664 /nfs/dbraw/zinc/34/46/64/299344664.db2.gz OLZPIANWKMJYQD-MDLJMBGESA-N 1 3 264.457 3.274 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2c(C)oc3ccccc32)C1 ZINC000121268793 370847313 /nfs/dbraw/zinc/84/73/13/370847313.db2.gz WOWSTLGOXCIMEP-CQSZACIVSA-N 1 3 272.392 3.173 20 0 CGADHO CCC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCCC1 ZINC000423346778 283930224 /nfs/dbraw/zinc/93/02/24/283930224.db2.gz QFNIADPFHYTRPU-HOTGVXAUSA-N 1 3 252.446 3.325 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000462392746 242340261 /nfs/dbraw/zinc/34/02/61/242340261.db2.gz HAXBCNKGQYHPIU-FQEVSTJZSA-N 1 3 294.442 3.458 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000251581948 299381915 /nfs/dbraw/zinc/38/19/15/299381915.db2.gz WGMKUZHWXSVABP-VHRBIJSZSA-N 1 3 286.341 3.483 20 0 CGADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000414982659 291432660 /nfs/dbraw/zinc/43/26/60/291432660.db2.gz YSAWFEFNUQCFNN-SCTDSRPQSA-N 1 3 286.463 3.475 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CCc3ccccc3C2)CC(C)(C)N1 ZINC000034994791 368988145 /nfs/dbraw/zinc/98/81/45/368988145.db2.gz RGULEIDFLDXPKW-MRXNPFEDSA-N 1 3 286.463 3.443 20 0 CGADHO CC1(C)CC(N[C@@H]2CCc3ccccc3C2)CC(C)(C)[NH2+]1 ZINC000034994791 368988150 /nfs/dbraw/zinc/98/81/50/368988150.db2.gz RGULEIDFLDXPKW-MRXNPFEDSA-N 1 3 286.463 3.443 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649540 369097498 /nfs/dbraw/zinc/09/74/98/369097498.db2.gz YBXQMSMLDGNBCZ-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccc(C)c([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649540 369097501 /nfs/dbraw/zinc/09/75/01/369097501.db2.gz YBXQMSMLDGNBCZ-JKSUJKDBSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1ccccc1C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000037997514 369136142 /nfs/dbraw/zinc/13/61/42/369136142.db2.gz NTLTWBBNNKVRMG-HNNXBMFYSA-N 1 3 260.425 3.207 20 0 CGADHO C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1cccc(Br)c1 ZINC000423362598 299397459 /nfs/dbraw/zinc/39/74/59/299397459.db2.gz NCLZXSRDPQVNIU-UHIISALHSA-N 1 3 297.240 3.098 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000068691279 369746233 /nfs/dbraw/zinc/74/62/33/369746233.db2.gz UYUFBDSYDWGQJD-QWHCGFSZSA-N 1 3 289.448 3.289 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)CN1CCCC1 ZINC000085100345 370016276 /nfs/dbraw/zinc/01/62/76/370016276.db2.gz OYXIBQOUVOSHKM-FPCVCCKLSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000093644631 370153783 /nfs/dbraw/zinc/15/37/83/370153783.db2.gz VNEMPINBGGTLJK-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000093644631 370153787 /nfs/dbraw/zinc/15/37/87/370153787.db2.gz VNEMPINBGGTLJK-NVXWUHKLSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1ccc2cc(CN3CCC[C@@H]([C@@H](C)[NH3+])C3)ccc2n1 ZINC000097862647 370255776 /nfs/dbraw/zinc/25/57/76/370255776.db2.gz MHNLHBBIPXKUFF-RHSMWYFYSA-N 1 3 283.419 3.102 20 0 CGADHO CC[NH2+]CC1CCN([C@@H](C)c2ccccc2F)CC1 ZINC000131509970 371111957 /nfs/dbraw/zinc/11/19/57/371111957.db2.gz LQYCGLKCLKTJPD-ZDUSSCGKSA-N 1 3 264.388 3.208 20 0 CGADHO CSCCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000132443375 371175281 /nfs/dbraw/zinc/17/52/81/371175281.db2.gz RGNFKGVICMIXEZ-CQSZACIVSA-N 1 3 296.480 3.031 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000220205710 376207590 /nfs/dbraw/zinc/20/75/90/376207590.db2.gz JVAAYDOSNSOIIN-HZPDHXFCSA-N 1 3 260.425 3.171 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000151107146 371569675 /nfs/dbraw/zinc/56/96/75/371569675.db2.gz MRCDVZZCZFYTKY-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccncc1Cl ZINC000421852207 371674478 /nfs/dbraw/zinc/67/44/78/371674478.db2.gz HRRQBNBMPBQBLA-LBPRGKRZSA-N 1 3 293.842 3.260 20 0 CGADHO CC(C)OC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000337345483 214021832 /nfs/dbraw/zinc/02/18/32/214021832.db2.gz VDUHSOYUYLYXQX-HNNXBMFYSA-N 1 3 282.472 3.187 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422690849 371756593 /nfs/dbraw/zinc/75/65/93/371756593.db2.gz HAWDMKNUZMXFIZ-FGTMMUONSA-N 1 3 272.436 3.314 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCCCNc2ccccn2)c2ccccc21 ZINC000422700012 371757461 /nfs/dbraw/zinc/75/74/61/371757461.db2.gz FUDMGEJKKAEIFD-DLBZAZTESA-N 1 3 296.418 3.008 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCCCCNc2ccccn2)c2ccccc21 ZINC000422700013 371757960 /nfs/dbraw/zinc/75/79/60/371757960.db2.gz FUDMGEJKKAEIFD-IAGOWNOFSA-N 1 3 296.418 3.008 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccc(Cl)cc1 ZINC000422733242 371772353 /nfs/dbraw/zinc/77/23/53/371772353.db2.gz QQVCUHCCPWCGMQ-DOMZBBRYSA-N 1 3 280.843 3.335 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422737273 371774593 /nfs/dbraw/zinc/77/45/93/371774593.db2.gz ZLWFPMOCNMVLMS-MOPGFXCFSA-N 1 3 296.414 3.235 20 0 CGADHO CN(C)CCC[N@H+](C)Cc1csc2ccccc12 ZINC000337330978 214010404 /nfs/dbraw/zinc/01/04/04/214010404.db2.gz HFQDNRZEGOAYNU-UHFFFAOYSA-N 1 3 262.422 3.285 20 0 CGADHO CN(C)CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000337330978 214010407 /nfs/dbraw/zinc/01/04/07/214010407.db2.gz HFQDNRZEGOAYNU-UHFFFAOYSA-N 1 3 262.422 3.285 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000422759629 371789412 /nfs/dbraw/zinc/78/94/12/371789412.db2.gz FVJDDTZSRLBQHP-OBJOEFQTSA-N 1 3 275.440 3.324 20 0 CGADHO C[C@H](NCCCc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422826608 371831107 /nfs/dbraw/zinc/83/11/07/371831107.db2.gz RBIKFIYIMPBJKQ-JTQLQIEISA-N 1 3 287.234 3.124 20 0 CGADHO C[C@H]([NH2+]CCCc1ccc(Cl)cc1Cl)C1CNC1 ZINC000422826608 371831121 /nfs/dbraw/zinc/83/11/21/371831121.db2.gz RBIKFIYIMPBJKQ-JTQLQIEISA-N 1 3 287.234 3.124 20 0 CGADHO [NH3+][C@H]1CCC[C@H]1NCCCc1ccc(Cl)cc1Cl ZINC000422829458 371831259 /nfs/dbraw/zinc/83/12/59/371831259.db2.gz UOGWUXFYPINQRJ-UONOGXRCSA-N 1 3 287.234 3.395 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000422785165 371805461 /nfs/dbraw/zinc/80/54/61/371805461.db2.gz PCFCXYXNWAVQLG-STQMWFEESA-N 1 3 275.440 3.468 20 0 CGADHO CCN1CC[C@H](C[NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000153980000 371805565 /nfs/dbraw/zinc/80/55/65/371805565.db2.gz UMQJAXYPRPNOHQ-ZIAGYGMSSA-N 1 3 280.843 3.375 20 0 CGADHO Cc1cc(C)c(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422787291 371809129 /nfs/dbraw/zinc/80/91/29/371809129.db2.gz UNFTXRDWMDQSOE-SUMWQHHRSA-N 1 3 260.425 3.090 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(F)cc1F ZINC000422798602 371816717 /nfs/dbraw/zinc/81/67/17/371816717.db2.gz RXPMEFPHQOADNY-XHBSWPGZSA-N 1 3 282.378 3.175 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C(C)C ZINC000422803884 371818608 /nfs/dbraw/zinc/81/86/08/371818608.db2.gz DIZJDETXYYUGBP-BSDSXHPESA-N 1 3 296.499 3.338 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000422802888 371819388 /nfs/dbraw/zinc/81/93/88/371819388.db2.gz HUSUHHOQHZFWPZ-LBPRGKRZSA-N 1 3 261.413 3.080 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422804464 371821507 /nfs/dbraw/zinc/82/15/07/371821507.db2.gz KUTBAGRICGQPFR-BQFCYCMXSA-N 1 3 272.436 3.214 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)cc1 ZINC000422816566 371826941 /nfs/dbraw/zinc/82/69/41/371826941.db2.gz ATPTZBUQMBWBTC-AESZEHBQSA-N 1 3 290.451 3.165 20 0 CGADHO CC[C@H](C[NH2+][C@H](C)[C@H]1CCCCN1)Oc1ccccc1F ZINC000422814813 371827099 /nfs/dbraw/zinc/82/70/99/371827099.db2.gz AGNLVZQJGMQULQ-IIAWOOMASA-N 1 3 294.414 3.103 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882824 371851753 /nfs/dbraw/zinc/85/17/53/371851753.db2.gz BBHMFLCDYRNUEX-MJGOQNOKSA-N 1 3 298.430 3.326 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2)CCCC1 ZINC000422878929 371852011 /nfs/dbraw/zinc/85/20/11/371852011.db2.gz LLAPZOAXZIODBP-CVEARBPZSA-N 1 3 276.399 3.107 20 0 CGADHO C[C@@H](NCCc1cccc(-c2ccccc2)c1)C1C[NH2+]C1 ZINC000422886271 371853509 /nfs/dbraw/zinc/85/35/09/371853509.db2.gz IQVMYOPAJQINHD-OAHLLOKOSA-N 1 3 280.415 3.094 20 0 CGADHO C[C@@H]([NH2+]CCc1cccc(-c2ccccc2)c1)C1CNC1 ZINC000422886271 371853514 /nfs/dbraw/zinc/85/35/14/371853514.db2.gz IQVMYOPAJQINHD-OAHLLOKOSA-N 1 3 280.415 3.094 20 0 CGADHO Cc1nc(C)c(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000422885245 371853767 /nfs/dbraw/zinc/85/37/67/371853767.db2.gz GOJVNTAWCOAJLM-LSDHHAIUSA-N 1 3 287.432 3.037 20 0 CGADHO Cc1nc(C)c(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)s1 ZINC000422885245 371853771 /nfs/dbraw/zinc/85/37/71/371853771.db2.gz GOJVNTAWCOAJLM-LSDHHAIUSA-N 1 3 287.432 3.037 20 0 CGADHO COC[C@H](CCC[NH3+])N[C@H](C)c1oc2ccccc2c1C ZINC000422893839 371857067 /nfs/dbraw/zinc/85/70/67/371857067.db2.gz BABMEBVOSIKMLA-KGLIPLIRSA-N 1 3 290.407 3.146 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000422895567 371859353 /nfs/dbraw/zinc/85/93/53/371859353.db2.gz GEAKEKWQQPKMEI-FUHWJXTLSA-N 1 3 290.451 3.132 20 0 CGADHO CCc1nc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000422898018 371859538 /nfs/dbraw/zinc/85/95/38/371859538.db2.gz DHKHJESOYYAAQS-ZIAGYGMSSA-N 1 3 295.496 3.148 20 0 CGADHO CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422895577 371859894 /nfs/dbraw/zinc/85/98/94/371859894.db2.gz GEQNCPFJZCJHTA-SJORKVTESA-N 1 3 276.424 3.225 20 0 CGADHO Cc1c2cc(F)ccc2oc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422899679 371860913 /nfs/dbraw/zinc/86/09/13/371860913.db2.gz ICDXNCIXKWAPFI-IUODEOHRSA-N 1 3 290.382 3.487 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422901107 371861094 /nfs/dbraw/zinc/86/10/94/371861094.db2.gz BNJUECZHFDHKAA-ZFWWWQNUSA-N 1 3 276.449 3.028 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422901107 371861103 /nfs/dbraw/zinc/86/11/03/371861103.db2.gz BNJUECZHFDHKAA-ZFWWWQNUSA-N 1 3 276.449 3.028 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000422930588 371875394 /nfs/dbraw/zinc/87/53/94/371875394.db2.gz VDRJTKRYAUEIBC-ILXRZTDVSA-N 1 3 276.449 3.473 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422941284 371882526 /nfs/dbraw/zinc/88/25/26/371882526.db2.gz UXSPFPWRWGRSHM-DOMZBBRYSA-N 1 3 274.433 3.161 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCSc2c(F)cccc21 ZINC000422853506 371841113 /nfs/dbraw/zinc/84/11/13/371841113.db2.gz YXVSHJSIJDEJLQ-ZLKJLUDKSA-N 1 3 280.412 3.080 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1F ZINC000422856308 371842713 /nfs/dbraw/zinc/84/27/13/371842713.db2.gz WUPQGZMEFRMQTR-HOTGVXAUSA-N 1 3 278.415 3.353 20 0 CGADHO CCCCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422951270 371888276 /nfs/dbraw/zinc/88/82/76/371888276.db2.gz XURILNPBFFPLGM-ZTJXHEDMSA-N 1 3 296.499 3.325 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422959094 371893826 /nfs/dbraw/zinc/89/38/26/371893826.db2.gz QQJBPNLZONHERB-NVXWUHKLSA-N 1 3 290.451 3.296 20 0 CGADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422959094 371893828 /nfs/dbraw/zinc/89/38/28/371893828.db2.gz QQJBPNLZONHERB-NVXWUHKLSA-N 1 3 290.451 3.296 20 0 CGADHO C[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)Oc1ccccc1 ZINC000422984999 371904325 /nfs/dbraw/zinc/90/43/25/371904325.db2.gz ZXLFEZXUBCNABU-BVGQSLNGSA-N 1 3 282.387 3.188 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423000619 371910494 /nfs/dbraw/zinc/91/04/94/371910494.db2.gz GUHKPIBTIWQGCH-ZFWWWQNUSA-N 1 3 252.446 3.181 20 0 CGADHO CC[C@H](CSc1ccc(C)c(C)c1)N[C@@H](C)C1C[NH2+]C1 ZINC000423005380 371912998 /nfs/dbraw/zinc/91/29/98/371912998.db2.gz RSEFLJRIJGUCNV-GOEBONIOSA-N 1 3 292.492 3.372 20 0 CGADHO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+][C@@H](C)C1CNC1 ZINC000423005380 371913000 /nfs/dbraw/zinc/91/30/00/371913000.db2.gz RSEFLJRIJGUCNV-GOEBONIOSA-N 1 3 292.492 3.372 20 0 CGADHO CS[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)(C)C ZINC000423034723 371926517 /nfs/dbraw/zinc/92/65/17/371926517.db2.gz QKERZLSAXLRRMW-VNQPRFMTSA-N 1 3 294.508 3.312 20 0 CGADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000423093418 371957847 /nfs/dbraw/zinc/95/78/47/371957847.db2.gz HJRVCYOSBWXGDX-GBJTYRQASA-N 1 3 286.410 3.322 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc2sccc2c1 ZINC000423120494 371976110 /nfs/dbraw/zinc/97/61/10/371976110.db2.gz GWHGGYZKZBYOTG-SWLSCSKDSA-N 1 3 274.433 3.379 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCc2sc(Cl)cc21 ZINC000423120650 371976992 /nfs/dbraw/zinc/97/69/92/371976992.db2.gz HDKKCMHDFHCAJC-WCQGTBRESA-N 1 3 284.856 3.496 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCCc1cc2ccccc2s1 ZINC000423126111 371978204 /nfs/dbraw/zinc/97/82/04/371978204.db2.gz ARFOAVNFRZSLCX-RYUDHWBXSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cc2ccccc2s1 ZINC000423126111 371978211 /nfs/dbraw/zinc/97/82/11/371978211.db2.gz ARFOAVNFRZSLCX-RYUDHWBXSA-N 1 3 262.422 3.159 20 0 CGADHO C[C@@H](CCC[NH3+])NCc1ccncc1OCCC(C)(C)C ZINC000423132822 371982590 /nfs/dbraw/zinc/98/25/90/371982590.db2.gz UZPSRTJHEXZRPA-AWEZNQCLSA-N 1 3 293.455 3.114 20 0 CGADHO Cc1ccc(C2(C[NH2+][C@@H]3CCNCC[C@H]3C)CC2)c(C)c1 ZINC000423149552 371993147 /nfs/dbraw/zinc/99/31/47/371993147.db2.gz XTINBSZLVZGFPX-CRAIPNDOSA-N 1 3 286.463 3.313 20 0 CGADHO Cc1ccc(C2(CN[C@@H]3CC[NH2+]CC[C@H]3C)CC2)c(C)c1 ZINC000423149552 371993152 /nfs/dbraw/zinc/99/31/52/371993152.db2.gz XTINBSZLVZGFPX-CRAIPNDOSA-N 1 3 286.463 3.313 20 0 CGADHO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000423166402 371997671 /nfs/dbraw/zinc/99/76/71/371997671.db2.gz ZDLFCKYWZFAIOE-CFVMTHIKSA-N 1 3 275.440 3.326 20 0 CGADHO Clc1cccc(CC2(C[NH2+][C@H]3CCCNCC3)CC2)c1 ZINC000423165925 371998239 /nfs/dbraw/zinc/99/82/39/371998239.db2.gz BTVJRQWHQCZEOX-INIZCTEOSA-N 1 3 292.854 3.394 20 0 CGADHO Clc1cccc(CC2(CN[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000423165925 371998245 /nfs/dbraw/zinc/99/82/45/371998245.db2.gz BTVJRQWHQCZEOX-INIZCTEOSA-N 1 3 292.854 3.394 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000423167820 371999342 /nfs/dbraw/zinc/99/93/42/371999342.db2.gz XHEVFDDWKMXOHR-STQMWFEESA-N 1 3 296.405 3.345 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423168229 371999511 /nfs/dbraw/zinc/99/95/11/371999511.db2.gz XVSWDESDSZLEII-STQMWFEESA-N 1 3 296.405 3.345 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H]2CN(C)CC[C@H]21)c1ccc(F)cc1 ZINC000290488541 372000271 /nfs/dbraw/zinc/00/02/71/372000271.db2.gz OLCWDUQMECIYCA-QGPMSJSTSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H]2CN(C)CC[C@H]21)c1ccc(F)cc1 ZINC000290488541 372000276 /nfs/dbraw/zinc/00/02/76/372000276.db2.gz OLCWDUQMECIYCA-QGPMSJSTSA-N 1 3 290.426 3.345 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC2CCC3(CC3)CC2)c2ccccc21 ZINC000423074178 371947915 /nfs/dbraw/zinc/94/79/15/371947915.db2.gz KWZBFWWWDOWHQU-CVEARBPZSA-N 1 3 256.393 3.444 20 0 CGADHO [NH3+]CC1CCC(NCc2cc(F)c(Cl)cc2F)CC1 ZINC000423080794 371951926 /nfs/dbraw/zinc/95/19/26/371951926.db2.gz ANEPUQGECZYWSA-UHFFFAOYSA-N 1 3 288.769 3.225 20 0 CGADHO COCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000423190961 372017951 /nfs/dbraw/zinc/01/79/51/372017951.db2.gz SFOWGSUPBOKAPG-NHHFINERSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1cc(OCCC[C@H](C)[NH2+]CCCN)ccc1Cl ZINC000423193966 372019079 /nfs/dbraw/zinc/01/90/79/372019079.db2.gz REHXEOJJBINJEG-ZDUSSCGKSA-N 1 3 284.831 3.134 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c(C)cccc2C)CC1 ZINC000157421301 372020612 /nfs/dbraw/zinc/02/06/12/372020612.db2.gz LJPQNKZTLQVFLP-UHFFFAOYSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccsc1[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423205780 372028243 /nfs/dbraw/zinc/02/82/43/372028243.db2.gz BKWOKMAYEHXNAT-AGIUHOORSA-N 1 3 252.427 3.095 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423205780 372028249 /nfs/dbraw/zinc/02/82/49/372028249.db2.gz BKWOKMAYEHXNAT-AGIUHOORSA-N 1 3 252.427 3.095 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2NC[C@H]1CCC[NH2+]C1 ZINC000423210051 372032759 /nfs/dbraw/zinc/03/27/59/372032759.db2.gz JMYUYUCAGKMUJR-DOTOQJQBSA-N 1 3 272.436 3.270 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H]1CCCNC1 ZINC000423210051 372032762 /nfs/dbraw/zinc/03/27/62/372032762.db2.gz JMYUYUCAGKMUJR-DOTOQJQBSA-N 1 3 272.436 3.270 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423212470 372034709 /nfs/dbraw/zinc/03/47/09/372034709.db2.gz LZIXBMZANQLORV-MROQNXINSA-N 1 3 298.883 3.483 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423214491 372034783 /nfs/dbraw/zinc/03/47/83/372034783.db2.gz OYOVQLBLNRLLQU-BRWVUGGUSA-N 1 3 287.451 3.005 20 0 CGADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423219488 372037375 /nfs/dbraw/zinc/03/73/75/372037375.db2.gz TZCRZPBEFPTMBV-BJJXKVORSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423303738 372049848 /nfs/dbraw/zinc/04/98/48/372049848.db2.gz XILZXNRVLJTJFP-UFBFGSQYSA-N 1 3 273.207 3.165 20 0 CGADHO Cc1ccc(C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C2CC2)cc1 ZINC000423363105 372055355 /nfs/dbraw/zinc/05/53/55/372055355.db2.gz AKVLDPJTQRACMC-JLSDUUJJSA-N 1 3 272.436 3.046 20 0 CGADHO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H](C)[C@@H](C)N)CC2 ZINC000423459671 372065084 /nfs/dbraw/zinc/06/50/84/372065084.db2.gz IGEJQFAUVOKBMU-GIPNMCIBSA-N 1 3 297.240 3.070 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]CCCNC2CC2)c2sccc21 ZINC000423568626 372074091 /nfs/dbraw/zinc/07/40/91/372074091.db2.gz VSQLWJYDIPBHCL-RISCZKNCSA-N 1 3 264.438 3.418 20 0 CGADHO COc1ccc(F)cc1CNCCCCC[NH+]1CCCC1 ZINC000293196830 372324596 /nfs/dbraw/zinc/32/45/96/372324596.db2.gz XNOJMXCYXPNFPU-UHFFFAOYSA-N 1 3 294.414 3.190 20 0 CGADHO COC1(C[C@H](C)[NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC000429507973 372373942 /nfs/dbraw/zinc/37/39/42/372373942.db2.gz ASQVKXXDJCYBKW-ULQDDVLXSA-N 1 3 296.499 3.292 20 0 CGADHO C[NH2+]C[C@@H]1CCN(CCCc2cccc3ccccc32)C1 ZINC000430924060 372406509 /nfs/dbraw/zinc/40/65/09/372406509.db2.gz HUBXOBUUXOUBKD-INIZCTEOSA-N 1 3 282.431 3.314 20 0 CGADHO COC1(C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)CCC1 ZINC000429434280 372366534 /nfs/dbraw/zinc/36/65/34/372366534.db2.gz ZNNDAVRZYLOQER-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000163189193 372452283 /nfs/dbraw/zinc/45/22/83/372452283.db2.gz URUBGKJTFUYNEN-SUMWQHHRSA-N 1 3 254.377 3.009 20 0 CGADHO Cc1ccc([C@@]2(C)CCN(CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000434747965 372706838 /nfs/dbraw/zinc/70/68/38/372706838.db2.gz NUINQESVNFBSSQ-MOPGFXCFSA-N 1 3 286.463 3.443 20 0 CGADHO Cc1ccc([C@@]2(C)CCN(CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000434747965 372706841 /nfs/dbraw/zinc/70/68/41/372706841.db2.gz NUINQESVNFBSSQ-MOPGFXCFSA-N 1 3 286.463 3.443 20 0 CGADHO CCC[C@@H](C)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387748 372755072 /nfs/dbraw/zinc/75/50/72/372755072.db2.gz BJOBAWHMNDYBAE-SJLPKXTDSA-N 1 3 289.467 3.462 20 0 CGADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000344579620 217237324 /nfs/dbraw/zinc/23/73/24/217237324.db2.gz GIKDNMSLLWDMKZ-JKSUJKDBSA-N 1 3 296.499 3.028 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](CC)c1ccsc1 ZINC000296229707 373059371 /nfs/dbraw/zinc/05/93/71/373059371.db2.gz AKKMPHBAYQGBPU-CABCVRRESA-N 1 3 284.469 3.146 20 0 CGADHO C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](CC[NH3+])C1 ZINC000443055743 373146715 /nfs/dbraw/zinc/14/67/15/373146715.db2.gz BOIQFCHYQVRTGB-LSDHHAIUSA-N 1 3 299.418 3.463 20 0 CGADHO Cc1ccc(C(C)(C)[NH2+]CCCN2CCCCC2)cn1 ZINC000444642647 373218755 /nfs/dbraw/zinc/21/87/55/373218755.db2.gz IWGXEYMORYUAAP-UHFFFAOYSA-N 1 3 275.440 3.091 20 0 CGADHO Cc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298535250 373351639 /nfs/dbraw/zinc/35/16/39/373351639.db2.gz SMGBWSVCUAXCRL-UHFFFAOYSA-N 1 3 295.430 3.191 20 0 CGADHO c1ccc(CCN2CC[C@@H](C[NH2+]C3CC4(CCC4)C3)C2)cc1 ZINC000448077449 373547519 /nfs/dbraw/zinc/54/75/19/373547519.db2.gz MTLZERVSUOQINN-SFHVURJKSA-N 1 3 298.474 3.473 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000353649696 220226851 /nfs/dbraw/zinc/22/68/51/220226851.db2.gz TWQGLPDSRPNNCB-KRWDZBQOSA-N 1 3 285.435 3.474 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000353649696 220226854 /nfs/dbraw/zinc/22/68/54/220226854.db2.gz TWQGLPDSRPNNCB-KRWDZBQOSA-N 1 3 285.435 3.474 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCSc2ccc(C)cc2)[C@H](C)C1 ZINC000178380302 373772665 /nfs/dbraw/zinc/77/26/65/373772665.db2.gz MHRAXRNYFQJSES-NVXWUHKLSA-N 1 3 292.492 3.407 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCSc2ccc(C)cc2)[C@H](C)C1 ZINC000178380302 373772670 /nfs/dbraw/zinc/77/26/70/373772670.db2.gz MHRAXRNYFQJSES-NVXWUHKLSA-N 1 3 292.492 3.407 20 0 CGADHO C[C@H]1C[C@@H](NCCc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000179536064 373883044 /nfs/dbraw/zinc/88/30/44/373883044.db2.gz KRIMKEXKXKGOEZ-STQMWFEESA-N 1 3 295.496 3.055 20 0 CGADHO C[C@H]1C[C@@H](NCCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536064 373883049 /nfs/dbraw/zinc/88/30/49/373883049.db2.gz KRIMKEXKXKGOEZ-STQMWFEESA-N 1 3 295.496 3.055 20 0 CGADHO C[C@H]([NH2+]Cc1ccc(Cl)s1)C1CCN(C)CC1 ZINC000071307626 541895531 /nfs/dbraw/zinc/89/55/31/541895531.db2.gz ZRAQFLWIIPIOQF-JTQLQIEISA-N 1 3 272.845 3.221 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)C12CCC2 ZINC000181700130 374156817 /nfs/dbraw/zinc/15/68/17/374156817.db2.gz BCAHVRPBQVXERK-GVDBMIGSSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](NCC(C)(C)C1=CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000308771708 374179350 /nfs/dbraw/zinc/17/93/50/374179350.db2.gz VWKIZPYVAHWVMO-ZFWWWQNUSA-N 1 3 250.430 3.243 20 0 CGADHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)c2ccccc12 ZINC000313962939 374310926 /nfs/dbraw/zinc/31/09/26/374310926.db2.gz GBZSDZDDLNQSQX-AWEZNQCLSA-N 1 3 286.419 3.136 20 0 CGADHO COc1ccc(CNC[C@H](C)C[NH+](C)C)c2ccccc12 ZINC000313962939 374310941 /nfs/dbraw/zinc/31/09/41/374310941.db2.gz GBZSDZDDLNQSQX-AWEZNQCLSA-N 1 3 286.419 3.136 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000328458516 374366327 /nfs/dbraw/zinc/36/63/27/374366327.db2.gz SSCCYYOUHOOCNF-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000328458516 374366330 /nfs/dbraw/zinc/36/63/30/374366330.db2.gz SSCCYYOUHOOCNF-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)(CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000328458516 374366338 /nfs/dbraw/zinc/36/63/38/374366338.db2.gz SSCCYYOUHOOCNF-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO CC/C=C/C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453331035 374425415 /nfs/dbraw/zinc/42/54/15/374425415.db2.gz VJBVQEIUNZNASG-LFAOLKIESA-N 1 3 276.424 3.244 20 0 CGADHO CC/C=C/CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000453331035 374425423 /nfs/dbraw/zinc/42/54/23/374425423.db2.gz VJBVQEIUNZNASG-LFAOLKIESA-N 1 3 276.424 3.244 20 0 CGADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000090963718 541965147 /nfs/dbraw/zinc/96/51/47/541965147.db2.gz WMIFFCKPDAQBJI-RYUDHWBXSA-N 1 3 282.378 3.346 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC1CC[NH+](C)CC1 ZINC000185253985 374622376 /nfs/dbraw/zinc/62/23/76/374622376.db2.gz RXQLWLKUQYQMGS-UHFFFAOYSA-N 1 3 269.392 3.358 20 0 CGADHO C[NH+](C)C[C@H]1CCN(CCCCCOc2ccccc2)C1 ZINC000187285699 374997307 /nfs/dbraw/zinc/99/73/07/374997307.db2.gz DXLHNGLEUJYAOS-QGZVFWFLSA-N 1 3 290.451 3.119 20 0 CGADHO CCCOc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000474107483 375082075 /nfs/dbraw/zinc/08/20/75/375082075.db2.gz YAVCFTJVNILEOW-YJBOKZPZSA-N 1 3 290.451 3.214 20 0 CGADHO CCCOc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000474107483 375082079 /nfs/dbraw/zinc/08/20/79/375082079.db2.gz YAVCFTJVNILEOW-YJBOKZPZSA-N 1 3 290.451 3.214 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc2sccc2c1 ZINC000335181757 375207093 /nfs/dbraw/zinc/20/70/93/375207093.db2.gz QSTSFORKUOSDRN-WFASDCNBSA-N 1 3 274.433 3.331 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc2sccc2c1 ZINC000335181757 375207099 /nfs/dbraw/zinc/20/70/99/375207099.db2.gz QSTSFORKUOSDRN-WFASDCNBSA-N 1 3 274.433 3.331 20 0 CGADHO Clc1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000335502787 375325181 /nfs/dbraw/zinc/32/51/81/375325181.db2.gz ZLHRMYIRSWWYMX-HNNXBMFYSA-N 1 3 292.810 3.063 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120926294 542014076 /nfs/dbraw/zinc/01/40/76/542014076.db2.gz RCVOIBHNLWXVOR-OAHLLOKOSA-N 1 3 282.378 3.130 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000336128611 375708876 /nfs/dbraw/zinc/70/88/76/375708876.db2.gz HKHXYTFJPNGVGK-GFCCVEGCSA-N 1 3 280.362 3.101 20 0 CGADHO C[NH+]1CCC(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000336228881 375761663 /nfs/dbraw/zinc/76/16/63/375761663.db2.gz KBMYAQLERCBFJK-CYBMUJFWSA-N 1 3 298.352 3.023 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000336623967 375884415 /nfs/dbraw/zinc/88/44/15/375884415.db2.gz JWTUITBJRATMOF-LLVKDONJSA-N 1 3 276.355 3.131 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000338299782 376322825 /nfs/dbraw/zinc/32/28/25/376322825.db2.gz ZQGLDAWHOUOEIW-RKVPGOIHSA-N 1 3 290.451 3.261 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000226332085 376353494 /nfs/dbraw/zinc/35/34/94/376353494.db2.gz BVURVCWMNAWNMW-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000226332085 376353498 /nfs/dbraw/zinc/35/34/98/376353498.db2.gz BVURVCWMNAWNMW-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CC[C@@H](C)c2ccccc2)C1 ZINC000226332085 376353500 /nfs/dbraw/zinc/35/35/00/376353500.db2.gz BVURVCWMNAWNMW-BFYDXBDKSA-N 1 3 260.425 3.239 20 0 CGADHO CCc1cnccc1[C@@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000539294294 376302033 /nfs/dbraw/zinc/30/20/33/376302033.db2.gz ASCLSQRMWUJCNS-CQSZACIVSA-N 1 3 287.451 3.169 20 0 CGADHO CCC[C@H](C)N(C)CC1(C[N@H+](C)[C@@H](C)CCC)COC1 ZINC000541070044 376417954 /nfs/dbraw/zinc/41/79/54/376417954.db2.gz DNHXNAZAHIEGPL-HOTGVXAUSA-N 1 3 284.488 3.244 20 0 CGADHO CCC[C@H](C)N(C)CC1(C[N@@H+](C)[C@@H](C)CCC)COC1 ZINC000541070044 376417957 /nfs/dbraw/zinc/41/79/57/376417957.db2.gz DNHXNAZAHIEGPL-HOTGVXAUSA-N 1 3 284.488 3.244 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226436919 376359765 /nfs/dbraw/zinc/35/97/65/376359765.db2.gz QPJNHZZMMIOHNO-RDTXWAMCSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436919 376359766 /nfs/dbraw/zinc/35/97/66/376359766.db2.gz QPJNHZZMMIOHNO-RDTXWAMCSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436919 376359768 /nfs/dbraw/zinc/35/97/68/376359768.db2.gz QPJNHZZMMIOHNO-RDTXWAMCSA-N 1 3 270.420 3.138 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000540194969 376366397 /nfs/dbraw/zinc/36/63/97/376366397.db2.gz MRPVLVDHWMNZBT-HNAYVOBHSA-N 1 3 298.430 3.148 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc2ccccc2c1 ZINC000540194969 376366406 /nfs/dbraw/zinc/36/64/06/376366406.db2.gz MRPVLVDHWMNZBT-HNAYVOBHSA-N 1 3 298.430 3.148 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000227031337 376379279 /nfs/dbraw/zinc/37/92/79/376379279.db2.gz CWHOMAYPJOZFMK-SJLPKXTDSA-N 1 3 274.452 3.328 20 0 CGADHO C[NH+]1CCC(C)(CNCc2cc(Cl)ccc2F)CC1 ZINC000227327801 376389997 /nfs/dbraw/zinc/38/99/97/376389997.db2.gz ABTSOJXECLSKAT-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO c1ccc2c(c1)cccc2C[NH2+]CCCNC1CC1 ZINC000228410683 376436834 /nfs/dbraw/zinc/43/68/34/376436834.db2.gz VTSWTHISUUKWSN-UHFFFAOYSA-N 1 3 254.377 3.072 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCCN1C ZINC000542549174 376557519 /nfs/dbraw/zinc/55/75/19/376557519.db2.gz AOZPZBZKDVKYRL-MSOLQXFVSA-N 1 3 292.442 3.467 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cc2ccccc2s1 ZINC000334317327 206358678 /nfs/dbraw/zinc/35/86/78/206358678.db2.gz UTHXFBQFJGLFSN-NWDGAFQWSA-N 1 3 260.406 3.070 20 0 CGADHO Cc1ccc(CN2CCC(CC[NH3+])CC2)cc1Cl ZINC000235869997 376653180 /nfs/dbraw/zinc/65/31/80/376653180.db2.gz BJUPXYIZZVQWKJ-UHFFFAOYSA-N 1 3 266.816 3.209 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000339068110 376658272 /nfs/dbraw/zinc/65/82/72/376658272.db2.gz NZKYKNRFMICNSP-JKSUJKDBSA-N 1 3 288.435 3.060 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000339068110 376658280 /nfs/dbraw/zinc/65/82/80/376658280.db2.gz NZKYKNRFMICNSP-JKSUJKDBSA-N 1 3 288.435 3.060 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000236786754 376692798 /nfs/dbraw/zinc/69/27/98/376692798.db2.gz RLYYXBVLWVDFNF-HZPDHXFCSA-N 1 3 260.425 3.112 20 0 CGADHO CC(C)(C[NH2+]CCCN1CCCCC1)c1ccccc1 ZINC000135709638 542089642 /nfs/dbraw/zinc/08/96/42/542089642.db2.gz BLUTYLZEVOVLEG-UHFFFAOYSA-N 1 3 274.452 3.430 20 0 CGADHO CC(C)(CNCCC[NH+]1CCCCC1)c1ccccc1 ZINC000135709638 542089645 /nfs/dbraw/zinc/08/96/45/542089645.db2.gz BLUTYLZEVOVLEG-UHFFFAOYSA-N 1 3 274.452 3.430 20 0 CGADHO C[C@H](CCN1CCC(C)(C)C1)[N@@H+]1CCC(C)(C)C1 ZINC000153633614 542111898 /nfs/dbraw/zinc/11/18/98/542111898.db2.gz IMKIAEJRFRDXEN-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CCN1CCC(C)(C)C1)[N@H+]1CCC(C)(C)C1 ZINC000153633614 542111905 /nfs/dbraw/zinc/11/19/05/542111905.db2.gz IMKIAEJRFRDXEN-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1CCC(C)(C)C1)N1CCC(C)(C)C1 ZINC000153633614 542111908 /nfs/dbraw/zinc/11/19/08/542111908.db2.gz IMKIAEJRFRDXEN-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](CC[N@H+]1CCC(C)(C)C1)N1CCC(C)(C)C1 ZINC000153633614 542111915 /nfs/dbraw/zinc/11/19/15/542111915.db2.gz IMKIAEJRFRDXEN-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449840 376818186 /nfs/dbraw/zinc/81/81/86/376818186.db2.gz OBKFDVINGAWUTB-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000245449840 376818198 /nfs/dbraw/zinc/81/81/98/376818198.db2.gz OBKFDVINGAWUTB-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN([C@H]2CCCc3ccccc32)C1 ZINC000245449840 376818206 /nfs/dbraw/zinc/81/82/06/376818206.db2.gz OBKFDVINGAWUTB-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN([C@H]2CCCc3ccccc32)C1 ZINC000245449840 376818212 /nfs/dbraw/zinc/81/82/12/376818212.db2.gz OBKFDVINGAWUTB-YJBOKZPZSA-N 1 3 272.436 3.338 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000556893583 376902188 /nfs/dbraw/zinc/90/21/88/376902188.db2.gz VYGPVSPKANBFTJ-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000556762184 376877440 /nfs/dbraw/zinc/87/74/40/376877440.db2.gz KGRFVOVONBCINM-BPQIPLTHSA-N 1 3 272.436 3.110 20 0 CGADHO CC[C@@H]1CC[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000558226693 376985932 /nfs/dbraw/zinc/98/59/32/376985932.db2.gz QXAKSVSGPIYWEW-GDBMZVCRSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1CC[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000558226693 376985939 /nfs/dbraw/zinc/98/59/39/376985939.db2.gz QXAKSVSGPIYWEW-GDBMZVCRSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000558226693 376985950 /nfs/dbraw/zinc/98/59/50/376985950.db2.gz QXAKSVSGPIYWEW-GDBMZVCRSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293381 376988788 /nfs/dbraw/zinc/98/87/88/376988788.db2.gz WTARXLWDBFXITI-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293381 376988796 /nfs/dbraw/zinc/98/87/96/376988796.db2.gz WTARXLWDBFXITI-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293381 376988800 /nfs/dbraw/zinc/98/88/00/376988800.db2.gz WTARXLWDBFXITI-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340293381 376988808 /nfs/dbraw/zinc/98/88/08/376988808.db2.gz WTARXLWDBFXITI-KGLIPLIRSA-N 1 3 274.399 3.086 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000559244437 377074194 /nfs/dbraw/zinc/07/41/94/377074194.db2.gz POBWGMNPTVXCBA-MRXNPFEDSA-N 1 3 272.436 3.386 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000560525864 377163106 /nfs/dbraw/zinc/16/31/06/377163106.db2.gz BNHNYYZANUFLOZ-VBNZEHGJSA-N 1 3 296.817 3.442 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000560525864 377163109 /nfs/dbraw/zinc/16/31/09/377163109.db2.gz BNHNYYZANUFLOZ-VBNZEHGJSA-N 1 3 296.817 3.442 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000560525864 377163112 /nfs/dbraw/zinc/16/31/12/377163112.db2.gz BNHNYYZANUFLOZ-VBNZEHGJSA-N 1 3 296.817 3.442 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247127725 377165415 /nfs/dbraw/zinc/16/54/15/377165415.db2.gz QCQVZHXRIFGHAM-NOVWEMISSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000247127725 377165428 /nfs/dbraw/zinc/16/54/28/377165428.db2.gz QCQVZHXRIFGHAM-NOVWEMISSA-N 1 3 272.436 3.382 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247148295 377166814 /nfs/dbraw/zinc/16/68/14/377166814.db2.gz WSTREONORZGMRT-BRWVUGGUSA-N 1 3 290.451 3.001 20 0 CGADHO Cc1cccc(C)c1OCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247148295 377166819 /nfs/dbraw/zinc/16/68/19/377166819.db2.gz WSTREONORZGMRT-BRWVUGGUSA-N 1 3 290.451 3.001 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000247154232 377169473 /nfs/dbraw/zinc/16/94/73/377169473.db2.gz TVXAJWGMZMJTMX-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO C1CC1[C@H]1CC[C@@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000562040828 377268420 /nfs/dbraw/zinc/26/84/20/377268420.db2.gz BVYGSXXGQAMOHX-SJORKVTESA-N 1 3 262.441 3.172 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000247914035 377243245 /nfs/dbraw/zinc/24/32/45/377243245.db2.gz ARMMIZLYUJKYSV-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000247914035 377243253 /nfs/dbraw/zinc/24/32/53/377243253.db2.gz ARMMIZLYUJKYSV-SJORKVTESA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127679 377268842 /nfs/dbraw/zinc/26/88/42/377268842.db2.gz OCNQVJOUPGPVTC-QRQLOZEOSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CC[C@H]21 ZINC000248127679 377268847 /nfs/dbraw/zinc/26/88/47/377268847.db2.gz OCNQVJOUPGPVTC-QRQLOZEOSA-N 1 3 284.447 3.480 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000248029131 377258192 /nfs/dbraw/zinc/25/81/92/377258192.db2.gz PZTXMZXJIWLLOJ-HLLBOEOZSA-N 1 3 292.492 3.405 20 0 CGADHO Cc1ccc(SCCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248029131 377258196 /nfs/dbraw/zinc/25/81/96/377258196.db2.gz PZTXMZXJIWLLOJ-HLLBOEOZSA-N 1 3 292.492 3.405 20 0 CGADHO CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248014352 377258884 /nfs/dbraw/zinc/25/88/84/377258884.db2.gz LOQOMELBYPRJPX-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248014352 377258886 /nfs/dbraw/zinc/25/88/86/377258886.db2.gz LOQOMELBYPRJPX-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248014352 377258889 /nfs/dbraw/zinc/25/88/89/377258889.db2.gz LOQOMELBYPRJPX-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000248014352 377258893 /nfs/dbraw/zinc/25/88/93/377258893.db2.gz LOQOMELBYPRJPX-ROUUACIJSA-N 1 3 272.436 3.165 20 0 CGADHO Cc1cccc([C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000247458584 377206395 /nfs/dbraw/zinc/20/63/95/377206395.db2.gz ICZMDLXGUOHABO-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO Cc1cccc([C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000247458584 377206402 /nfs/dbraw/zinc/20/64/02/377206402.db2.gz ICZMDLXGUOHABO-HOTGVXAUSA-N 1 3 260.425 3.330 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000563304903 377439912 /nfs/dbraw/zinc/43/99/12/377439912.db2.gz WOWCHJBAKXJITG-WMLDXEAASA-N 1 3 290.451 3.466 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000249191963 377476893 /nfs/dbraw/zinc/47/68/93/377476893.db2.gz AARNPZZWYSINSP-KGLIPLIRSA-N 1 3 280.843 3.327 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000249191963 377476900 /nfs/dbraw/zinc/47/69/00/377476900.db2.gz AARNPZZWYSINSP-KGLIPLIRSA-N 1 3 280.843 3.327 20 0 CGADHO CC(C)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000095015728 249043450 /nfs/dbraw/zinc/04/34/50/249043450.db2.gz CKQQBMVDHXCPRR-MAUKXSAKSA-N 1 3 274.452 3.457 20 0 CGADHO CC(C)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000095015728 249043452 /nfs/dbraw/zinc/04/34/52/249043452.db2.gz CKQQBMVDHXCPRR-MAUKXSAKSA-N 1 3 274.452 3.457 20 0 CGADHO Cc1cccc([C@H](C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166684869 542175965 /nfs/dbraw/zinc/17/59/65/542175965.db2.gz NQCIDWMUFCHNSV-KBAYOESNSA-N 1 3 272.436 3.315 20 0 CGADHO Cc1cccc([C@H](C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166684869 542175969 /nfs/dbraw/zinc/17/59/69/542175969.db2.gz NQCIDWMUFCHNSV-KBAYOESNSA-N 1 3 272.436 3.315 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(Sc2ccccc2)CC1 ZINC000422905372 249127620 /nfs/dbraw/zinc/12/76/20/249127620.db2.gz ICXQTMMTBXPDGA-ZBFHGGJFSA-N 1 3 290.476 3.289 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422905372 249127622 /nfs/dbraw/zinc/12/76/22/249127622.db2.gz ICXQTMMTBXPDGA-ZBFHGGJFSA-N 1 3 290.476 3.289 20 0 CGADHO C[NH2+]C[C@H]1CCCN(C[C@@H](C)CCc2ccccc2)C1 ZINC000469997121 249165433 /nfs/dbraw/zinc/16/54/33/249165433.db2.gz VWASINHPWABCLN-FUHWJXTLSA-N 1 3 274.452 3.187 20 0 CGADHO CNC[C@H]1CCC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000469997121 249165436 /nfs/dbraw/zinc/16/54/36/249165436.db2.gz VWASINHPWABCLN-FUHWJXTLSA-N 1 3 274.452 3.187 20 0 CGADHO CNC[C@H]1CCC[N@@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000469997121 249165439 /nfs/dbraw/zinc/16/54/39/249165439.db2.gz VWASINHPWABCLN-FUHWJXTLSA-N 1 3 274.452 3.187 20 0 CGADHO CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCCC1 ZINC000251139224 377574203 /nfs/dbraw/zinc/57/42/03/377574203.db2.gz IVKOTSXUYFIYKI-BZUAXINKSA-N 1 3 264.457 3.467 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000514760691 249188325 /nfs/dbraw/zinc/18/83/25/249188325.db2.gz UADKSNGBFLYBKR-USXIJHARSA-N 1 3 264.457 3.300 20 0 CGADHO Cc1cc(C)c(CC[NH2+][C@H](C)[C@H]2CCCNC2)c(C)c1 ZINC000515413120 249211174 /nfs/dbraw/zinc/21/11/74/249211174.db2.gz IIYDFYXEINVQRD-SJORKVTESA-N 1 3 274.452 3.132 20 0 CGADHO Cc1cc(C)c(CCN[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000515413120 249211177 /nfs/dbraw/zinc/21/11/77/249211177.db2.gz IIYDFYXEINVQRD-SJORKVTESA-N 1 3 274.452 3.132 20 0 CGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)C[C@H](C)N ZINC000515845486 249222230 /nfs/dbraw/zinc/22/22/30/249222230.db2.gz HWEGMCZAWASBAS-QJPTWQEYSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@H](C)C[C@H](C)[NH3+] ZINC000515845486 249222233 /nfs/dbraw/zinc/22/22/33/249222233.db2.gz HWEGMCZAWASBAS-QJPTWQEYSA-N 1 3 288.357 3.352 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1 ZINC000516215313 249228953 /nfs/dbraw/zinc/22/89/53/249228953.db2.gz PBXGIADDNVUNSB-QFHJOOASSA-N 1 3 286.463 3.499 20 0 CGADHO CC(C)C[C@@H](CNc1ccnc2ccccc21)[NH+](C)C ZINC000517639495 249269045 /nfs/dbraw/zinc/26/90/45/249269045.db2.gz CUMKZIAKMARGQA-AWEZNQCLSA-N 1 3 271.408 3.045 20 0 CGADHO CC[C@H](NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000573967516 377601102 /nfs/dbraw/zinc/60/11/02/377601102.db2.gz SLICGDUVSXXZIU-KRWDZBQOSA-N 1 3 254.377 3.386 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000574365811 377654506 /nfs/dbraw/zinc/65/45/06/377654506.db2.gz HZLBLPRTGWOEKP-YESZJQIVSA-N 1 3 274.452 3.499 20 0 CGADHO CC(C)=CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000253353167 377685446 /nfs/dbraw/zinc/68/54/46/377685446.db2.gz SGGHYTHDNWXKCM-IPMKNSEASA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253353167 377685451 /nfs/dbraw/zinc/68/54/51/377685451.db2.gz SGGHYTHDNWXKCM-IPMKNSEASA-N 1 3 284.447 3.453 20 0 CGADHO CC(C)=CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253353167 377685456 /nfs/dbraw/zinc/68/54/56/377685456.db2.gz SGGHYTHDNWXKCM-IPMKNSEASA-N 1 3 284.447 3.453 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000574796619 377710965 /nfs/dbraw/zinc/71/09/65/377710965.db2.gz IWKXTXCTFLKMOM-VNQPRFMTSA-N 1 3 278.465 3.095 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H]2CN(C)CC[C@H]21 ZINC000574796619 377710973 /nfs/dbraw/zinc/71/09/73/377710973.db2.gz IWKXTXCTFLKMOM-VNQPRFMTSA-N 1 3 278.465 3.095 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000575195753 377760893 /nfs/dbraw/zinc/76/08/93/377760893.db2.gz UIBZJZHGZSYHNR-QWHCGFSZSA-N 1 3 296.817 3.370 20 0 CGADHO Fc1cncc([C@H]([NH2+]CCCN2CCCCC2)C2CC2)c1 ZINC000342734966 377764979 /nfs/dbraw/zinc/76/49/79/377764979.db2.gz KQFRWNSDWAZOSA-QGZVFWFLSA-N 1 3 291.414 3.137 20 0 CGADHO Cc1ccccc1C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261690639 377838653 /nfs/dbraw/zinc/83/86/53/377838653.db2.gz AVQKVMGPXDIZPR-SFHVURJKSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261697509 377838862 /nfs/dbraw/zinc/83/88/62/377838862.db2.gz CDCJSDRFKKHJKS-IRXDYDNUSA-N 1 3 258.409 3.132 20 0 CGADHO CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H]1CCCNCC1 ZINC000262037068 377881577 /nfs/dbraw/zinc/88/15/77/377881577.db2.gz XVCZNNIVWZIJQW-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H]1CCCNCC1 ZINC000262037068 377881578 /nfs/dbraw/zinc/88/15/78/377881578.db2.gz XVCZNNIVWZIJQW-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261734694 377846565 /nfs/dbraw/zinc/84/65/65/377846565.db2.gz LODHVWAUZWDSDP-UAGQMJEPSA-N 1 3 272.436 3.153 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000578342207 378060321 /nfs/dbraw/zinc/06/03/21/378060321.db2.gz NCBUVIGCJRMZLF-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO CSc1cc(C)ccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000579024325 378123799 /nfs/dbraw/zinc/12/37/99/378123799.db2.gz FYEXABJOPCKTNH-ZIAGYGMSSA-N 1 3 264.438 3.076 20 0 CGADHO CCNCCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000578738333 378096463 /nfs/dbraw/zinc/09/64/63/378096463.db2.gz HQSXMMCXAFQZHA-SJORKVTESA-N 1 3 260.425 3.302 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000578738333 378096468 /nfs/dbraw/zinc/09/64/68/378096468.db2.gz HQSXMMCXAFQZHA-SJORKVTESA-N 1 3 260.425 3.302 20 0 CGADHO Cc1cc([C@@H](C)NC2CC[NH+](C3CC3)CC2)ccc1F ZINC000268762452 378104457 /nfs/dbraw/zinc/10/44/57/378104457.db2.gz OSZOGEAAVDPKDI-CYBMUJFWSA-N 1 3 276.399 3.412 20 0 CGADHO Cc1cccc(C[C@@H](NCCC[NH2+]C(C)C)C2CC2)c1 ZINC000578857634 378106282 /nfs/dbraw/zinc/10/62/82/378106282.db2.gz NMMRYLWNBFWYBD-GOSISDBHSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1cccc(C[C@@H]([NH2+]CCCNC(C)C)C2CC2)c1 ZINC000578857634 378106288 /nfs/dbraw/zinc/10/62/88/378106288.db2.gz NMMRYLWNBFWYBD-GOSISDBHSA-N 1 3 274.452 3.294 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000579714621 378187338 /nfs/dbraw/zinc/18/73/38/378187338.db2.gz HUCUXZYKMSFHSN-MFNGEMCRSA-N 1 3 287.451 3.326 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269952863 378287591 /nfs/dbraw/zinc/28/75/91/378287591.db2.gz JRBBCTHWIGTMSZ-CVEARBPZSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1[nH]c2ccccc2c1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269952863 378287596 /nfs/dbraw/zinc/28/75/96/378287596.db2.gz JRBBCTHWIGTMSZ-CVEARBPZSA-N 1 3 297.446 3.235 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000565512817 322080164 /nfs/dbraw/zinc/08/01/64/322080164.db2.gz OYUBRJDBLSRIIZ-UAGQMJEPSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000565512817 322080165 /nfs/dbraw/zinc/08/01/65/322080165.db2.gz OYUBRJDBLSRIIZ-UAGQMJEPSA-N 1 3 264.457 3.395 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1C ZINC000584080669 378373792 /nfs/dbraw/zinc/37/37/92/378373792.db2.gz NBQRGBUOFFSWFI-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1C ZINC000584080669 378373796 /nfs/dbraw/zinc/37/37/96/378373796.db2.gz NBQRGBUOFFSWFI-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000584080669 378373801 /nfs/dbraw/zinc/37/38/01/378373801.db2.gz NBQRGBUOFFSWFI-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000584080669 378373806 /nfs/dbraw/zinc/37/38/06/378373806.db2.gz NBQRGBUOFFSWFI-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc(C)c1OC(F)F ZINC000346667855 378669507 /nfs/dbraw/zinc/66/95/07/378669507.db2.gz ZEIRGFXZKTZPIC-TZMCWYRMSA-N 1 3 298.377 3.074 20 0 CGADHO C[N@H+]1CC=C(CN[C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000272579907 378669827 /nfs/dbraw/zinc/66/98/27/378669827.db2.gz UYZXFNBMWWQJMJ-OAHLLOKOSA-N 1 3 274.408 3.145 20 0 CGADHO C[N@@H+]1CC=C(CN[C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000272579907 378669829 /nfs/dbraw/zinc/66/98/29/378669829.db2.gz UYZXFNBMWWQJMJ-OAHLLOKOSA-N 1 3 274.408 3.145 20 0 CGADHO C(C[C@@H]1CCO1)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022650 378673244 /nfs/dbraw/zinc/67/32/44/378673244.db2.gz KFGQNLTUXRNLOE-QZTJIDSGSA-N 1 3 294.483 3.144 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181251 378724599 /nfs/dbraw/zinc/72/45/99/378724599.db2.gz YGHZXAQKFORIDT-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181251 378724601 /nfs/dbraw/zinc/72/46/01/378724601.db2.gz YGHZXAQKFORIDT-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181251 378724606 /nfs/dbraw/zinc/72/46/06/378724606.db2.gz YGHZXAQKFORIDT-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4ncccc34)CC[C@@H]21 ZINC000638181251 378724610 /nfs/dbraw/zinc/72/46/10/378724610.db2.gz YGHZXAQKFORIDT-LPHOPBHVSA-N 1 3 295.430 3.151 20 0 CGADHO Cc1ccoc1CNCCCCCCC[NH+](C)C ZINC000266180585 190237758 /nfs/dbraw/zinc/23/77/58/190237758.db2.gz FWIIYNCCBNWYQP-UHFFFAOYSA-N 1 3 252.402 3.190 20 0 CGADHO CC(C)[C@H](CNCCC[C@@H]1CCO1)[NH+]1CCCCCC1 ZINC000638349557 378775161 /nfs/dbraw/zinc/77/51/61/378775161.db2.gz QBARLMOJBKBUKM-SJORKVTESA-N 1 3 282.472 3.046 20 0 CGADHO CC[C@H]1CC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000348082736 378783183 /nfs/dbraw/zinc/78/31/83/378783183.db2.gz SYVFJJQDLGXMNF-RDJZCZTQSA-N 1 3 273.424 3.076 20 0 CGADHO Cn1c(C[NH2+]C2CCN(CC3CC3)CC2)cc2ccccc21 ZINC000638384113 378786236 /nfs/dbraw/zinc/78/62/36/378786236.db2.gz RLPYHYSNTIRCFB-UHFFFAOYSA-N 1 3 297.446 3.142 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cc4ccccc4s3)C[C@H]12 ZINC000346829868 218027650 /nfs/dbraw/zinc/02/76/50/218027650.db2.gz OEJOMPLHXLFICF-AEGPPILISA-N 1 3 272.417 3.070 20 0 CGADHO c1c(CNCCCCC[NH+]2CCCCC2)onc1C1CC1 ZINC000638527864 378827890 /nfs/dbraw/zinc/82/78/90/378827890.db2.gz CKDDSRVGIKBJIA-UHFFFAOYSA-N 1 3 291.439 3.298 20 0 CGADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000274729167 378884160 /nfs/dbraw/zinc/88/41/60/378884160.db2.gz BOQWEJGGCORSEK-LBPRGKRZSA-N 1 3 281.831 3.118 20 0 CGADHO CC(C)O[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000638707708 378884935 /nfs/dbraw/zinc/88/49/35/378884935.db2.gz KLUFSUVVIDZUEQ-RYQLBKOJSA-N 1 3 290.451 3.225 20 0 CGADHO CC(C)O[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000638707708 378884943 /nfs/dbraw/zinc/88/49/43/378884943.db2.gz KLUFSUVVIDZUEQ-RYQLBKOJSA-N 1 3 290.451 3.225 20 0 CGADHO CCCN(Cc1ccc(OC(C)C)cc1)C1CC[NH2+]CC1 ZINC000347035957 218100249 /nfs/dbraw/zinc/10/02/49/218100249.db2.gz DSRZVVFIZBZAGH-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO CCC[N@H+](Cc1ccc(OC(C)C)cc1)C1CCNCC1 ZINC000347035957 218100252 /nfs/dbraw/zinc/10/02/52/218100252.db2.gz DSRZVVFIZBZAGH-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO CCC[N@@H+](Cc1ccc(OC(C)C)cc1)C1CCNCC1 ZINC000347035957 218100254 /nfs/dbraw/zinc/10/02/54/218100254.db2.gz DSRZVVFIZBZAGH-UHFFFAOYSA-N 1 3 290.451 3.438 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241387 378951841 /nfs/dbraw/zinc/95/18/41/378951841.db2.gz GWRUZEOGPRHITI-WFASDCNBSA-N 1 3 298.377 3.060 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)F)cc1 ZINC000275241387 378951847 /nfs/dbraw/zinc/95/18/47/378951847.db2.gz GWRUZEOGPRHITI-WFASDCNBSA-N 1 3 298.377 3.060 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969459 378961300 /nfs/dbraw/zinc/96/13/00/378961300.db2.gz HFLVKODYCHPHQD-KYEXWDHISA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969459 378961305 /nfs/dbraw/zinc/96/13/05/378961305.db2.gz HFLVKODYCHPHQD-KYEXWDHISA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CC1(F)F ZINC000638969459 378961308 /nfs/dbraw/zinc/96/13/08/378961308.db2.gz HFLVKODYCHPHQD-KYEXWDHISA-N 1 3 286.410 3.273 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000347060943 218108447 /nfs/dbraw/zinc/10/84/47/218108447.db2.gz YGOPFXCQJNFDSO-GXTWGEPZSA-N 1 3 274.433 3.461 20 0 CGADHO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)[C@H]1COc2ccccc21 ZINC000348776349 379051525 /nfs/dbraw/zinc/05/15/25/379051525.db2.gz PXYLSNBUASKQIP-YQQAZPJKSA-N 1 3 288.435 3.015 20 0 CGADHO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)[C@H]1COc2ccccc21 ZINC000348776349 379051537 /nfs/dbraw/zinc/05/15/37/379051537.db2.gz PXYLSNBUASKQIP-YQQAZPJKSA-N 1 3 288.435 3.015 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)CC1 ZINC000277262249 379113700 /nfs/dbraw/zinc/11/37/00/379113700.db2.gz QYVXZZVWWZMFGG-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC000277262249 379113702 /nfs/dbraw/zinc/11/37/02/379113702.db2.gz QYVXZZVWWZMFGG-QGZVFWFLSA-N 1 3 283.419 3.151 20 0 CGADHO CC[NH+]1CCC(CCNCc2cccc(OC)c2F)CC1 ZINC000192689347 542268769 /nfs/dbraw/zinc/26/87/69/542268769.db2.gz IRUVONDAWSBFJN-UHFFFAOYSA-N 1 3 294.414 3.046 20 0 CGADHO C[NH+](C)CC1CCN(Cc2coc3ccccc23)CC1 ZINC000350175958 379525663 /nfs/dbraw/zinc/52/56/63/379525663.db2.gz KNACVRHBWRHECG-UHFFFAOYSA-N 1 3 272.392 3.206 20 0 CGADHO Cc1ccc(C[N@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC000351489044 379725392 /nfs/dbraw/zinc/72/53/92/379725392.db2.gz BJLFNYLDMVFKHG-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO Cc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)c(C)c1 ZINC000351489044 379725401 /nfs/dbraw/zinc/72/54/01/379725401.db2.gz BJLFNYLDMVFKHG-UHFFFAOYSA-N 1 3 272.436 3.364 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000280731864 379775561 /nfs/dbraw/zinc/77/55/61/379775561.db2.gz GYZKVPHBPZQVPS-DDBAPUKQSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000280731864 379775564 /nfs/dbraw/zinc/77/55/64/379775564.db2.gz GYZKVPHBPZQVPS-DDBAPUKQSA-N 1 3 288.410 3.288 20 0 CGADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000378546412 379839260 /nfs/dbraw/zinc/83/92/60/379839260.db2.gz DWJJNEWHNJCNNM-NVXWUHKLSA-N 1 3 294.483 3.188 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)[C@H]1CC1(C)C ZINC000397669809 379924449 /nfs/dbraw/zinc/92/44/49/379924449.db2.gz FLMUPEJFSXZCDY-ZNMIVQPWSA-N 1 3 252.446 3.131 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000387654091 379878018 /nfs/dbraw/zinc/87/80/18/379878018.db2.gz LINIINRCDKKBGF-XHSDSOJGSA-N 1 3 250.430 3.172 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652949 379963202 /nfs/dbraw/zinc/96/32/02/379963202.db2.gz MAIAMBANEUQYPP-ZFWWWQNUSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@H](F)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352821295 379980789 /nfs/dbraw/zinc/98/07/89/379980789.db2.gz ANPWQYDESYJACZ-FUHWJXTLSA-N 1 3 290.426 3.333 20 0 CGADHO C[C@H](F)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352821295 379980798 /nfs/dbraw/zinc/98/07/98/379980798.db2.gz ANPWQYDESYJACZ-FUHWJXTLSA-N 1 3 290.426 3.333 20 0 CGADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2CC2)C1 ZINC000409446016 380032989 /nfs/dbraw/zinc/03/29/89/380032989.db2.gz AWZCKYLSKAQCNW-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC2CC2)C1 ZINC000409446016 380032993 /nfs/dbraw/zinc/03/29/93/380032993.db2.gz AWZCKYLSKAQCNW-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000409446016 380032999 /nfs/dbraw/zinc/03/29/99/380032999.db2.gz AWZCKYLSKAQCNW-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCCCN1C[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000409446016 380033002 /nfs/dbraw/zinc/03/30/02/380033002.db2.gz AWZCKYLSKAQCNW-DOTOQJQBSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282987377 380020949 /nfs/dbraw/zinc/02/09/49/380020949.db2.gz FHMGPJWLAFIKOD-SZMVWBNQSA-N 1 3 272.436 3.254 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000410390385 380090199 /nfs/dbraw/zinc/09/01/99/380090199.db2.gz PHYZEMLFQZBPMH-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410390385 380090207 /nfs/dbraw/zinc/09/02/07/380090207.db2.gz PHYZEMLFQZBPMH-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000410390385 380090213 /nfs/dbraw/zinc/09/02/13/380090213.db2.gz PHYZEMLFQZBPMH-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCCN1CCN(c2ccccc2C[NH2+]C2CC=CC2)CC1 ZINC000643291067 380257461 /nfs/dbraw/zinc/25/74/61/380257461.db2.gz ZGWRBPIMMJTFRU-UHFFFAOYSA-N 1 3 299.462 3.027 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000414329124 380215015 /nfs/dbraw/zinc/21/50/15/380215015.db2.gz IBIANBUDUSQERA-FXUDXRNXSA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000414329124 380215023 /nfs/dbraw/zinc/21/50/23/380215023.db2.gz IBIANBUDUSQERA-FXUDXRNXSA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)OC1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643475753 380317422 /nfs/dbraw/zinc/31/74/22/380317422.db2.gz JQHLPHHVKLNGJW-VKYMVXLJSA-N 1 3 288.435 3.457 20 0 CGADHO Cc1ccc(CCC[NH2+][C@@H]2CCNCC[C@H]2C)c(C)c1 ZINC000643457077 380308622 /nfs/dbraw/zinc/30/86/22/380308622.db2.gz PJPQNRSIVXSNDV-CRAIPNDOSA-N 1 3 274.452 3.214 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)[C@@H]1CCCCO1 ZINC000643466787 380314249 /nfs/dbraw/zinc/31/42/49/380314249.db2.gz NLXCDBBYKAJUGV-ZACQAIPSSA-N 1 3 296.499 3.482 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000643548367 380363491 /nfs/dbraw/zinc/36/34/91/380363491.db2.gz OKPOAQPMCWHFTH-OAGGEKHMSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548444 380365485 /nfs/dbraw/zinc/36/54/85/380365485.db2.gz PLEPTNXHCWZZRW-MCIONIFRSA-N 1 3 250.430 3.075 20 0 CGADHO CCC(CC)(NCCC[NH3+])c1ccc(Cl)cc1 ZINC000414696778 380379072 /nfs/dbraw/zinc/37/90/72/380379072.db2.gz BKIDRUKSTWSGIC-UHFFFAOYSA-N 1 3 254.805 3.294 20 0 CGADHO C[C@@H](CN(C)CCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000414746076 380390693 /nfs/dbraw/zinc/39/06/93/380390693.db2.gz QCBYEMASUJHLSC-JTQLQIEISA-N 1 3 291.222 3.041 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000414748469 380390915 /nfs/dbraw/zinc/39/09/15/380390915.db2.gz IPSFJZJJIILLGO-SJLPKXTDSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](CCc1ccccc1)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000414748469 380390917 /nfs/dbraw/zinc/39/09/17/380390917.db2.gz IPSFJZJJIILLGO-SJLPKXTDSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H]1C[C@@H](CN(C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756406 380392918 /nfs/dbraw/zinc/39/29/18/380392918.db2.gz QRGBXQGIBLEIBF-RYUDHWBXSA-N 1 3 284.806 3.299 20 0 CGADHO CCCc1cccc(CN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000414753289 380393046 /nfs/dbraw/zinc/39/30/46/380393046.db2.gz QGMCESPIVYESCZ-KRWDZBQOSA-N 1 3 260.425 3.213 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000643523011 380339811 /nfs/dbraw/zinc/33/98/11/380339811.db2.gz VOIPFNMUFJVIMW-DYVFJYSZSA-N 1 3 288.435 3.149 20 0 CGADHO CC[C@H]([NH2+]C[C@H](C)N)c1ccc2cc(OC)ccc2c1 ZINC000643526222 380342896 /nfs/dbraw/zinc/34/28/96/380342896.db2.gz VGNXSEAEPMPABZ-SJCJKPOMSA-N 1 3 272.392 3.236 20 0 CGADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(-c2cccs2)cc1 ZINC000643528349 380345557 /nfs/dbraw/zinc/34/55/57/380345557.db2.gz HJSPFGIJXXXQKE-RYUDHWBXSA-N 1 3 260.406 3.413 20 0 CGADHO Cc1cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)ccc1F ZINC000354168677 380353330 /nfs/dbraw/zinc/35/33/30/380353330.db2.gz ZUWGLAPKMZTXLA-QGZVFWFLSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)ccc1F ZINC000354168677 380353333 /nfs/dbraw/zinc/35/33/33/380353333.db2.gz ZUWGLAPKMZTXLA-QGZVFWFLSA-N 1 3 276.399 3.052 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414655667 380353734 /nfs/dbraw/zinc/35/37/34/380353734.db2.gz DSXPCNIAPBOIDC-MVJTYMMSSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414655667 380353742 /nfs/dbraw/zinc/35/37/42/380353742.db2.gz DSXPCNIAPBOIDC-MVJTYMMSSA-N 1 3 272.436 3.166 20 0 CGADHO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546658 380360895 /nfs/dbraw/zinc/36/08/95/380360895.db2.gz SNTBLHXQTMZSCA-RRFJBIMHSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccs1 ZINC000643546663 380361049 /nfs/dbraw/zinc/36/10/49/380361049.db2.gz SOTQYVHNZVNOHI-RYUDHWBXSA-N 1 3 250.411 3.073 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccc(OC)cc1 ZINC000643547071 380362041 /nfs/dbraw/zinc/36/20/41/380362041.db2.gz ZGRWQMIEVDQBBE-WBVHZDCISA-N 1 3 288.435 3.411 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548116 380362766 /nfs/dbraw/zinc/36/27/66/380362766.db2.gz MQZOLZONCSMNSN-PVAVHDDUSA-N 1 3 288.435 3.027 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643548118 380363255 /nfs/dbraw/zinc/36/32/55/380363255.db2.gz MQZOLZONCSMNSN-XIRDDKMYSA-N 1 3 288.435 3.027 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(-c2ccncc2)c1 ZINC000414813666 380423659 /nfs/dbraw/zinc/42/36/59/380423659.db2.gz YPDSRDMZGSYSEN-MOPGFXCFSA-N 1 3 295.430 3.356 20 0 CGADHO CCCC[C@@H](C[NH3+])NCCSCc1ccccc1 ZINC000414814471 380425763 /nfs/dbraw/zinc/42/57/63/380425763.db2.gz NUQLHIFFPDNVCA-HNNXBMFYSA-N 1 3 266.454 3.027 20 0 CGADHO CCCC[C@H](C[NH3+])NCCSCc1ccccc1 ZINC000414814472 380425833 /nfs/dbraw/zinc/42/58/33/380425833.db2.gz NUQLHIFFPDNVCA-OAHLLOKOSA-N 1 3 266.454 3.027 20 0 CGADHO Cc1cccc(CNCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414815822 380427890 /nfs/dbraw/zinc/42/78/90/380427890.db2.gz YGSNSKANPKEWBA-CQSZACIVSA-N 1 3 254.377 3.305 20 0 CGADHO C[C@@H](CCc1ccccc1)NCC1([NH3+])CCCCC1 ZINC000414833381 380441656 /nfs/dbraw/zinc/44/16/56/380441656.db2.gz ARJATQWDHWZYHO-HNNXBMFYSA-N 1 3 260.425 3.259 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+]C[C@H]1CCCNC1 ZINC000414846951 380451720 /nfs/dbraw/zinc/45/17/20/380451720.db2.gz FMRSOYKSPVOJAY-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO Fc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414780324 380400397 /nfs/dbraw/zinc/40/03/97/380400397.db2.gz LIINAJDPQBUQAL-UONOGXRCSA-N 1 3 296.817 3.301 20 0 CGADHO Cc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414788085 380404503 /nfs/dbraw/zinc/40/45/03/380404503.db2.gz WEKJLCNSUCHOQO-CVEARBPZSA-N 1 3 292.854 3.470 20 0 CGADHO COc1ccc2cc(CN[C@@H]3CCCC[C@H]3C[NH3+])ccc2c1 ZINC000414791485 380406775 /nfs/dbraw/zinc/40/67/75/380406775.db2.gz BHVFNKYAOJLKFP-PKOBYXMFSA-N 1 3 298.430 3.456 20 0 CGADHO CC(C)[C@H]([NH3+])CNC[C@H](C)c1cccc(Br)c1 ZINC000414789876 380406953 /nfs/dbraw/zinc/40/69/53/380406953.db2.gz FYPLMUVFTNHVKL-SMDDNHRTSA-N 1 3 299.256 3.126 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414793049 380408281 /nfs/dbraw/zinc/40/82/81/380408281.db2.gz JQVZOGNMZASQRJ-RISCZKNCSA-N 1 3 288.357 3.209 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000414793091 380408964 /nfs/dbraw/zinc/40/89/64/380408964.db2.gz JTRSHTCWWZHRHJ-GXFFZTMASA-N 1 3 273.207 3.210 20 0 CGADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414801615 380414582 /nfs/dbraw/zinc/41/45/82/380414582.db2.gz LZGZWICSAJFVRD-KBMXLJTQSA-N 1 3 252.446 3.452 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000414805380 380418341 /nfs/dbraw/zinc/41/83/41/380418341.db2.gz PPHZCWMEIMNLQB-SMDDNHRTSA-N 1 3 270.779 3.086 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919490 380489362 /nfs/dbraw/zinc/48/93/62/380489362.db2.gz XDDFUYFKADQGRL-ZWKOTPCHSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[C@H](c2ccccc2)C1 ZINC000414936744 380495454 /nfs/dbraw/zinc/49/54/54/380495454.db2.gz ZJWWMSPBJYCGCV-DZOHQFGASA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414944708 380500544 /nfs/dbraw/zinc/50/05/44/380500544.db2.gz QGUGPHUYBBVKAH-WEOZKBJRSA-N 1 3 286.463 3.475 20 0 CGADHO Cc1cc(C[NH2+]C2(C)CCNCC2)ccc1C(F)(F)F ZINC000414948724 380502661 /nfs/dbraw/zinc/50/26/61/380502661.db2.gz YVRYOQNKDZSCIK-UHFFFAOYSA-N 1 3 286.341 3.246 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414867401 380464968 /nfs/dbraw/zinc/46/49/68/380464968.db2.gz ODFIKSHSKVHCKZ-SQNIBIBYSA-N 1 3 272.436 3.445 20 0 CGADHO C[C@H](CN)C[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414874059 380468220 /nfs/dbraw/zinc/46/82/20/380468220.db2.gz HYGCHZYOQDIBOE-ODIFPOPNSA-N 1 3 260.425 3.071 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000414873461 380468722 /nfs/dbraw/zinc/46/87/22/380468722.db2.gz XOGGYUGBPHOUMV-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO CCC[C@@H](CCc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000414873459 380468985 /nfs/dbraw/zinc/46/89/85/380468985.db2.gz XOGGYUGBPHOUMV-DLBZAZTESA-N 1 3 260.425 3.130 20 0 CGADHO N[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000414896987 380477656 /nfs/dbraw/zinc/47/76/56/380477656.db2.gz QLALFWVZWPXTMA-LJQANCHMSA-N 1 3 296.414 3.093 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CCCNC1 ZINC000414898262 380479474 /nfs/dbraw/zinc/47/94/74/380479474.db2.gz BBMIFSQGNZGKNB-BZSNNMDCSA-N 1 3 272.436 3.302 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000414900242 380479576 /nfs/dbraw/zinc/47/95/76/380479576.db2.gz ICVMHUFOBPEDEZ-AEFFLSMTSA-N 1 3 274.452 3.235 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCCNC1 ZINC000414898263 380479624 /nfs/dbraw/zinc/47/96/24/380479624.db2.gz BBMIFSQGNZGKNB-KSZLIROESA-N 1 3 272.436 3.302 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000414898255 380479660 /nfs/dbraw/zinc/47/96/60/380479660.db2.gz BAFZMEKXOCMNBZ-SJLPKXTDSA-N 1 3 274.452 3.295 20 0 CGADHO C[C@@H](CCC1CCCC1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899560 380480890 /nfs/dbraw/zinc/48/08/90/380480890.db2.gz CMCVXXUJJBCISS-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO CC[C@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccccc1 ZINC000414903919 380482095 /nfs/dbraw/zinc/48/20/95/380482095.db2.gz MRYWXDYUJNBGMG-WBVHZDCISA-N 1 3 260.425 3.160 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000221814112 542287936 /nfs/dbraw/zinc/28/79/36/542287936.db2.gz TYUQTRBLMKFQPB-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334866783 207213675 /nfs/dbraw/zinc/21/36/75/207213675.db2.gz CJFWQTPOHXKRRU-HIFRSBDPSA-N 1 3 264.438 3.021 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2Cc3ccccc32)c2ccccc21 ZINC000227538500 542294382 /nfs/dbraw/zinc/29/43/82/542294382.db2.gz XCWSSBMZUFMOAI-VHSSKADRSA-N 1 3 264.372 3.061 20 0 CGADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000573249310 322378017 /nfs/dbraw/zinc/37/80/17/322378017.db2.gz DKJPFOFGHXYZAA-HRCADAONSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000229546891 542301211 /nfs/dbraw/zinc/30/12/11/542301211.db2.gz CNGISIWVMALRDH-GFCCVEGCSA-N 1 3 268.367 3.427 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000364318188 382269100 /nfs/dbraw/zinc/26/91/00/382269100.db2.gz ZBFBZENPIBSRSZ-VVLHAWIVSA-N 1 3 262.441 3.195 20 0 CGADHO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2=CCN(C)CC2)cc1 ZINC000366690444 382315246 /nfs/dbraw/zinc/31/52/46/382315246.db2.gz AMJIZGFDXSHNMD-RTBURBONSA-N 1 3 284.447 3.483 20 0 CGADHO CC[C@H]1CN(Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251771019 542347802 /nfs/dbraw/zinc/34/78/02/542347802.db2.gz MMCJBOFTLCFYRN-MAUKXSAKSA-N 1 3 268.404 3.399 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251090132 542345138 /nfs/dbraw/zinc/34/51/38/542345138.db2.gz IEZMBBYJSLXUJN-FQUUOJAGSA-N 1 3 290.373 3.324 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251090132 542345141 /nfs/dbraw/zinc/34/51/41/542345141.db2.gz IEZMBBYJSLXUJN-FQUUOJAGSA-N 1 3 290.373 3.324 20 0 CGADHO C[C@@H]1CCCC[C@@H]1OCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422715237 296345036 /nfs/dbraw/zinc/34/50/36/296345036.db2.gz SBKDVZKDGXDVOW-ZKXLYKBJSA-N 1 3 294.483 3.092 20 0 CGADHO COc1ccc([C@@H](NC[C@]2(C)CCC[NH2+]C2)C(C)C)cc1 ZINC000423336194 533133168 /nfs/dbraw/zinc/13/31/68/533133168.db2.gz JPBDEJACWQAFMZ-ZWKOTPCHSA-N 1 3 290.451 3.372 20 0 CGADHO COc1ccc([C@@H]([NH2+]C[C@]2(C)CCCNC2)C(C)C)cc1 ZINC000423336194 533133173 /nfs/dbraw/zinc/13/31/73/533133173.db2.gz JPBDEJACWQAFMZ-ZWKOTPCHSA-N 1 3 290.451 3.372 20 0 CGADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000423292392 533298531 /nfs/dbraw/zinc/29/85/31/533298531.db2.gz MVRZGVUQLPMZJO-BFUOFWGJSA-N 1 3 296.414 3.492 20 0 CGADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1F ZINC000423490996 533388320 /nfs/dbraw/zinc/38/83/20/533388320.db2.gz YIOPIFSHPCQHFV-DGCLKSJQSA-N 1 3 268.351 3.148 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(F)c(Cl)c1 ZINC000423328280 533365954 /nfs/dbraw/zinc/36/59/54/533365954.db2.gz AOCYSOIUJFNJST-SNVBAGLBSA-N 1 3 268.763 3.049 20 0 CGADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000423474467 533389461 /nfs/dbraw/zinc/38/94/61/533389461.db2.gz HJQYPSRTRIHMNT-YPMHNXCESA-N 1 3 268.351 3.148 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423349765 533366722 /nfs/dbraw/zinc/36/67/22/533366722.db2.gz XKECTYGPRSXBIS-LLVKDONJSA-N 1 3 295.224 3.019 20 0 CGADHO CO[C@@H](C)CN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411726596 533330083 /nfs/dbraw/zinc/33/00/83/533330083.db2.gz PUGGNCVIDZTTKK-INIZCTEOSA-N 1 3 290.451 3.139 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1 ZINC000423359793 533449525 /nfs/dbraw/zinc/44/95/25/533449525.db2.gz PQADJIBYISKAGS-GFCCVEGCSA-N 1 3 270.351 3.280 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cc(F)ccc1F ZINC000423260463 533402864 /nfs/dbraw/zinc/40/28/64/533402864.db2.gz QCVIQJYSMYBHCM-VXGBXAGGSA-N 1 3 268.351 3.005 20 0 CGADHO C[C@@H](N[C@@H](C)[C@H](C)[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423459115 533499693 /nfs/dbraw/zinc/49/96/93/533499693.db2.gz HQOZXZXUMSWRSE-QUARPLMYSA-N 1 3 272.845 3.219 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000423459114 533500313 /nfs/dbraw/zinc/50/03/13/533500313.db2.gz HQOZXZXUMSWRSE-HPENLJRUSA-N 1 3 272.845 3.219 20 0 CGADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)[C@H](C)N ZINC000423440352 533513225 /nfs/dbraw/zinc/51/32/25/533513225.db2.gz IPTVUVNOVSIKHC-DAYGRLMNSA-N 1 3 268.404 3.296 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000423393533 533546626 /nfs/dbraw/zinc/54/66/26/533546626.db2.gz YRLCBQSDDSXKIM-XNJGSVPQSA-N 1 3 258.409 3.355 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)CCN1 ZINC000423375348 533657566 /nfs/dbraw/zinc/65/75/66/533657566.db2.gz IRKBGVRWOKNGAU-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H](N[C@H]1CCCC12CCCCC2)[C@H]1CCC[NH2+]1 ZINC000400428039 542622390 /nfs/dbraw/zinc/62/23/90/542622390.db2.gz ZDSDXPSUBWOMBA-ZNMIVQPWSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CCCN1 ZINC000400428039 542622394 /nfs/dbraw/zinc/62/23/94/542622394.db2.gz ZDSDXPSUBWOMBA-ZNMIVQPWSA-N 1 3 250.430 3.220 20 0 CGADHO CCC1(Cc2ccccc2)CCN(CCC[NH3+])CC1 ZINC000414764163 542638461 /nfs/dbraw/zinc/63/84/61/542638461.db2.gz ODUBUXOPMNOXCI-UHFFFAOYSA-N 1 3 260.425 3.070 20 0 CGADHO CCC1(Cc2ccccc2)CC[NH+](CCCN)CC1 ZINC000414764163 542638462 /nfs/dbraw/zinc/63/84/62/542638462.db2.gz ODUBUXOPMNOXCI-UHFFFAOYSA-N 1 3 260.425 3.070 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000414907148 542639270 /nfs/dbraw/zinc/63/92/70/542639270.db2.gz ALJZRWDHMUFKHB-QWRGUYRKSA-N 1 3 290.304 3.204 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000414926840 542640218 /nfs/dbraw/zinc/64/02/18/542640218.db2.gz NSQGDWDKPDVTOU-BHYGNILZSA-N 1 3 260.425 3.176 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414931060 542640520 /nfs/dbraw/zinc/64/05/20/542640520.db2.gz UASPLEYWAOFEEJ-UONOGXRCSA-N 1 3 266.816 3.316 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000415006658 542641931 /nfs/dbraw/zinc/64/19/31/542641931.db2.gz KUTDBTOBMNXPAG-ZIAGYGMSSA-N 1 3 254.377 3.179 20 0 CGADHO NCCC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000415118432 542642522 /nfs/dbraw/zinc/64/25/22/542642522.db2.gz WNPFYWWKDWBUHV-UHFFFAOYSA-N 1 3 286.341 3.066 20 0 CGADHO [NH3+]CCCNCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000415118432 542642525 /nfs/dbraw/zinc/64/25/25/542642525.db2.gz WNPFYWWKDWBUHV-UHFFFAOYSA-N 1 3 286.341 3.066 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC1(COC)CCC1 ZINC000361336357 392278351 /nfs/dbraw/zinc/27/83/51/392278351.db2.gz PSFFJLCHSLPIHJ-IRXDYDNUSA-N 1 3 296.499 3.293 20 0 CGADHO COCC1(C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)CCC1 ZINC000361333998 392278550 /nfs/dbraw/zinc/27/85/50/392278550.db2.gz DCKPDPVMGNSBBK-HZPDHXFCSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1cc2cc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000285808606 392332012 /nfs/dbraw/zinc/33/20/12/392332012.db2.gz WHOHUQWUGBDQSF-CJNGLKHVSA-N 1 3 271.408 3.049 20 0 CGADHO Cc1cc2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2[nH]1 ZINC000285808606 392332019 /nfs/dbraw/zinc/33/20/19/392332019.db2.gz WHOHUQWUGBDQSF-CJNGLKHVSA-N 1 3 271.408 3.049 20 0 CGADHO CCCC[C@H](CC)CC[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441351467 542664855 /nfs/dbraw/zinc/66/48/55/542664855.db2.gz JCKNEMDHYHIZPP-KRWDZBQOSA-N 1 3 297.531 3.209 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000249371236 131121039 /nfs/dbraw/zinc/12/10/39/131121039.db2.gz BVKBRCKFCWOLQC-HIFRSBDPSA-N 1 3 276.449 3.155 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000249385195 131121295 /nfs/dbraw/zinc/12/12/95/131121295.db2.gz ZAVWSAUICJGUBU-OLZOCXBDSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251152454 131128734 /nfs/dbraw/zinc/12/87/34/131128734.db2.gz AXBRFLXKXQCVOO-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251152454 131128735 /nfs/dbraw/zinc/12/87/35/131128735.db2.gz AXBRFLXKXQCVOO-NJAFHUGGSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110644842 299627986 /nfs/dbraw/zinc/62/79/86/299627986.db2.gz MKLFZKYJWFZUOS-WDEREUQCSA-N 1 3 268.351 3.085 20 0 CGADHO C(CN1CCC[C@@H]1C1CC1)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000365475480 392444503 /nfs/dbraw/zinc/44/45/03/392444503.db2.gz BVVKWTMCAINUDM-CALCHBBNSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000365475480 392444509 /nfs/dbraw/zinc/44/45/09/392444509.db2.gz BVVKWTMCAINUDM-CALCHBBNSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CCC[C@H]1C1CC1)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000365475480 392444512 /nfs/dbraw/zinc/44/45/12/392444512.db2.gz BVVKWTMCAINUDM-CALCHBBNSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000365475480 392444515 /nfs/dbraw/zinc/44/45/15/392444515.db2.gz BVVKWTMCAINUDM-CALCHBBNSA-N 1 3 262.441 3.125 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000293751433 392527086 /nfs/dbraw/zinc/52/70/86/392527086.db2.gz QIVKZTRLOJDDSY-LEUOFYLZSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000293751433 392527089 /nfs/dbraw/zinc/52/70/89/392527089.db2.gz QIVKZTRLOJDDSY-LEUOFYLZSA-N 1 3 288.410 3.288 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000647282314 392635331 /nfs/dbraw/zinc/63/53/31/392635331.db2.gz NPHOOVNRFXPTEE-YJBOKZPZSA-N 1 3 287.451 3.243 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccncc1 ZINC000647282314 392635335 /nfs/dbraw/zinc/63/53/35/392635335.db2.gz NPHOOVNRFXPTEE-YJBOKZPZSA-N 1 3 287.451 3.243 20 0 CGADHO C(CN1CCCC12CCC2)C[N@@H+]1CCCC12CCC2 ZINC000373105750 392657648 /nfs/dbraw/zinc/65/76/48/392657648.db2.gz BOJOCTARRWEGBJ-UHFFFAOYSA-N 1 3 262.441 3.414 20 0 CGADHO C(CN1CCCC12CCC2)C[N@H+]1CCCC12CCC2 ZINC000373105750 392657656 /nfs/dbraw/zinc/65/76/56/392657656.db2.gz BOJOCTARRWEGBJ-UHFFFAOYSA-N 1 3 262.441 3.414 20 0 CGADHO CCC[N@H+](Cc1ccc2cnccc2c1)C1CCNCC1 ZINC000647484441 392738995 /nfs/dbraw/zinc/73/89/95/392738995.db2.gz KOJJUGGJXZDWDM-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCC[N@@H+](Cc1ccc2cnccc2c1)C1CCNCC1 ZINC000647484441 392738997 /nfs/dbraw/zinc/73/89/97/392738997.db2.gz KOJJUGGJXZDWDM-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCCN(Cc1ccc2cnccc2c1)C1CC[NH2+]CC1 ZINC000647484441 392738999 /nfs/dbraw/zinc/73/89/99/392738999.db2.gz KOJJUGGJXZDWDM-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO C[C@@]1(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514209 392745843 /nfs/dbraw/zinc/74/58/43/392745843.db2.gz PLZZSQFIQJPJTD-QFBILLFUSA-N 1 3 297.446 3.347 20 0 CGADHO C[C@@]1(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CC[NH2+]C1 ZINC000647514210 392746558 /nfs/dbraw/zinc/74/65/58/392746558.db2.gz PLZZSQFIQJPJTD-VQIMIIECSA-N 1 3 297.446 3.347 20 0 CGADHO Cc1ccc(F)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543674 392759507 /nfs/dbraw/zinc/75/95/07/392759507.db2.gz RALQEFGAWQWIPC-HOTGVXAUSA-N 1 3 290.426 3.346 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCC[C@@H](C)C2)CC[C@@H]1N ZINC000647937021 392838007 /nfs/dbraw/zinc/83/80/07/392838007.db2.gz PRQRUDKNHAAGOJ-QXSJWSMHSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)CC[C@@H]1N ZINC000647937021 392838012 /nfs/dbraw/zinc/83/80/12/392838012.db2.gz PRQRUDKNHAAGOJ-QXSJWSMHSA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1CN(CC[C@@H]2CCC[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000647937021 392838016 /nfs/dbraw/zinc/83/80/16/392838016.db2.gz PRQRUDKNHAAGOJ-QXSJWSMHSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC1(c2cccc(Cl)c2)CCC1 ZINC000647804466 392806516 /nfs/dbraw/zinc/80/65/16/392806516.db2.gz RNNOKYSADRFWPP-RYUDHWBXSA-N 1 3 266.816 3.435 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2N(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647879490 392820283 /nfs/dbraw/zinc/82/02/83/392820283.db2.gz ASKAWVGONPIVTO-KBXCAEBGSA-N 1 3 270.420 3.138 20 0 CGADHO c1ccc([C@H]2CN(C[C@@H]3CC[NH2+]C3)Cc3ccccc32)cc1 ZINC000647874652 392820456 /nfs/dbraw/zinc/82/04/56/392820456.db2.gz JUKXDZDLLNBYKC-OXQOHEQNSA-N 1 3 292.426 3.244 20 0 CGADHO c1ccc([C@H]2CCCCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881000 392822388 /nfs/dbraw/zinc/82/23/88/392822388.db2.gz PZKWMVBTUWUGRK-NVXWUHKLSA-N 1 3 258.409 3.213 20 0 CGADHO Cc1cccc([C@H]2CCCCN2C[C@H]2CC[NH2+]C2)c1C ZINC000647889447 392826190 /nfs/dbraw/zinc/82/61/90/392826190.db2.gz RMWAHJULTONOHA-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO Fc1cccc([C@@H]2CCN2CCCC2CC[NH2+]CC2)c1 ZINC000647890185 392828745 /nfs/dbraw/zinc/82/87/45/392828745.db2.gz YLPQLFWPYVZGGP-KRWDZBQOSA-N 1 3 276.399 3.352 20 0 CGADHO Clc1ccccc1C1(NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000647995234 392860546 /nfs/dbraw/zinc/86/05/46/392860546.db2.gz ILYFKABGLSMRJJ-CYBMUJFWSA-N 1 3 278.827 3.308 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000514104925 542734007 /nfs/dbraw/zinc/73/40/07/542734007.db2.gz NLMUCZINTUOURC-MSOLQXFVSA-N 1 3 290.451 3.151 20 0 CGADHO COCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248402327 393086621 /nfs/dbraw/zinc/08/66/21/393086621.db2.gz NDTIQGMJQXZLLA-XHSDSOJGSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000346524496 393089658 /nfs/dbraw/zinc/08/96/58/393089658.db2.gz GHNVIENTBPQOQJ-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc(COc2ccc(C[NH2+][C@@H](C)[C@H](C)N)cc2)cc1 ZINC000415009613 393093395 /nfs/dbraw/zinc/09/33/95/393093395.db2.gz FZVIKRHJSPOWQZ-HOTGVXAUSA-N 1 3 298.430 3.399 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000415017646 393098657 /nfs/dbraw/zinc/09/86/57/393098657.db2.gz QISREIXJMUEUND-KGLIPLIRSA-N 1 3 284.403 3.188 20 0 CGADHO C[C@H](CCC[NH3+])NCc1cc(Cl)ccc1OCC1CC1 ZINC000415023195 393100189 /nfs/dbraw/zinc/10/01/89/393100189.db2.gz MKDNRAGVGXDQAI-GFCCVEGCSA-N 1 3 296.842 3.346 20 0 CGADHO C[C@@H]1C[C@H](CN2CCc3c(F)cc(F)cc3[C@H]2C)CC[NH2+]1 ZINC000414708368 393051806 /nfs/dbraw/zinc/05/18/06/393051806.db2.gz NSZUBWSADXGODJ-JHJVBQTASA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H]1C[C@H](CN2CC[C@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768393 393054892 /nfs/dbraw/zinc/05/48/92/393054892.db2.gz UYSWIXODGVYJKI-CKEIUWERSA-N 1 3 294.389 3.084 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414950492 393058280 /nfs/dbraw/zinc/05/82/80/393058280.db2.gz OQLLUBUNBRHTJI-JONQDZQNSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C)CC1CCCCC1 ZINC000414965835 393069612 /nfs/dbraw/zinc/06/96/12/393069612.db2.gz WAKCXOGDGZILAH-LZWOXQAQSA-N 1 3 252.446 3.181 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414964640 393069752 /nfs/dbraw/zinc/06/97/52/393069752.db2.gz DYCUVLNGXUZXJO-GOSISDBHSA-N 1 3 295.430 3.226 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414987596 393080873 /nfs/dbraw/zinc/08/08/73/393080873.db2.gz KNMHPJCCPXOCIP-SZMVWBNQSA-N 1 3 290.451 3.437 20 0 CGADHO CC[N@H+](CCCN(C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648586512 393114484 /nfs/dbraw/zinc/11/44/84/393114484.db2.gz WYLKJFAVJQCDJQ-UHFFFAOYSA-N 1 3 295.814 3.255 20 0 CGADHO CC[N@@H+](CCCN(C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648586512 393114489 /nfs/dbraw/zinc/11/44/89/393114489.db2.gz WYLKJFAVJQCDJQ-UHFFFAOYSA-N 1 3 295.814 3.255 20 0 CGADHO CC(C)C[C@H]([NH3+])CNCCc1csc2ccccc12 ZINC000415075058 393131503 /nfs/dbraw/zinc/13/15/03/393131503.db2.gz AUJJHINMDVIQPZ-AWEZNQCLSA-N 1 3 276.449 3.407 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000415080730 393133695 /nfs/dbraw/zinc/13/36/95/393133695.db2.gz JXMIGYFBMFOUTO-RKTXRCNFSA-N 1 3 292.492 3.437 20 0 CGADHO CC(C)(N)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415081266 393133721 /nfs/dbraw/zinc/13/37/21/393133721.db2.gz KFFZNUFGVLFEJN-UHFFFAOYSA-N 1 3 284.403 3.059 20 0 CGADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000468358748 393137525 /nfs/dbraw/zinc/13/75/25/393137525.db2.gz VPPRTISTRACTJJ-WCVJEAGWSA-N 1 3 250.430 3.028 20 0 CGADHO c1ccc(C(C[NH2+]C[C@H]2CCCNC2)c2ccccc2)cc1 ZINC000415089068 393140625 /nfs/dbraw/zinc/14/06/25/393140625.db2.gz XFTZFCIRAUEWLR-KRWDZBQOSA-N 1 3 294.442 3.408 20 0 CGADHO c1ccc(C(CNC[C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415089068 393140629 /nfs/dbraw/zinc/14/06/29/393140629.db2.gz XFTZFCIRAUEWLR-KRWDZBQOSA-N 1 3 294.442 3.408 20 0 CGADHO CC(C)([NH3+])CNCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000415093018 393142639 /nfs/dbraw/zinc/14/26/39/393142639.db2.gz BLBLBELPHQPRIR-UHFFFAOYSA-N 1 3 286.341 3.064 20 0 CGADHO c1sc2ccccc2c1CCNC[C@@H]1CCC[NH2+]C1 ZINC000415090929 393143429 /nfs/dbraw/zinc/14/34/29/393143429.db2.gz ZUVPBZUYVOJCPL-CYBMUJFWSA-N 1 3 274.433 3.033 20 0 CGADHO c1sc2ccccc2c1CC[NH2+]C[C@@H]1CCCNC1 ZINC000415090929 393143436 /nfs/dbraw/zinc/14/34/36/393143436.db2.gz ZUVPBZUYVOJCPL-CYBMUJFWSA-N 1 3 274.433 3.033 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(OC2CCCC2)c1 ZINC000469849811 393221498 /nfs/dbraw/zinc/22/14/98/393221498.db2.gz CCROANZPMBDGOP-HOCLYGCPSA-N 1 3 288.435 3.177 20 0 CGADHO Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)cc[nH+]1 ZINC000274335515 393284918 /nfs/dbraw/zinc/28/49/18/393284918.db2.gz GUSABRJIAXNBPM-HNNXBMFYSA-N 1 3 271.364 3.232 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000355215384 393262308 /nfs/dbraw/zinc/26/23/08/393262308.db2.gz CMOSIRFOGVVQDX-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000355215384 393262309 /nfs/dbraw/zinc/26/23/09/393262309.db2.gz CMOSIRFOGVVQDX-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000355215384 393262315 /nfs/dbraw/zinc/26/23/15/393262315.db2.gz CMOSIRFOGVVQDX-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000355215384 393262318 /nfs/dbraw/zinc/26/23/18/393262318.db2.gz CMOSIRFOGVVQDX-QZTJIDSGSA-N 1 3 272.436 3.220 20 0 CGADHO c1ccc(C[C@H](NC[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420380875 393480124 /nfs/dbraw/zinc/48/01/24/393480124.db2.gz WYKRJZJVXMDNOH-HKUYNNGSSA-N 1 3 280.415 3.170 20 0 CGADHO CC[C@@H](NCC[C@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000420391416 393482068 /nfs/dbraw/zinc/48/20/68/393482068.db2.gz AVMKYUFKHQQFEA-IAQYHMDHSA-N 1 3 268.351 3.005 20 0 CGADHO CC[C@]1(C)CCCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311836 393461120 /nfs/dbraw/zinc/46/11/20/393461120.db2.gz WDFXWJDZPGVJDK-SJLPKXTDSA-N 1 3 290.451 3.250 20 0 CGADHO COc1ccccc1CN(CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420316620 393462804 /nfs/dbraw/zinc/46/28/04/393462804.db2.gz MTPNJJYDJGBCRG-HNNXBMFYSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@H]1C[C@@H]1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301537 393483057 /nfs/dbraw/zinc/48/30/57/393483057.db2.gz QRQUBEPDDAFXAR-YESZJQIVSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301537 393483061 /nfs/dbraw/zinc/48/30/61/393483061.db2.gz QRQUBEPDDAFXAR-YESZJQIVSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@H]1C[C@@H]1C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301537 393483066 /nfs/dbraw/zinc/48/30/66/393483066.db2.gz QRQUBEPDDAFXAR-YESZJQIVSA-N 1 3 264.457 3.086 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(C)Cc2cccc(C)c2)cc1 ZINC000420327374 393468325 /nfs/dbraw/zinc/46/83/25/393468325.db2.gz YOICQZMNPFNVON-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000420327374 393468327 /nfs/dbraw/zinc/46/83/27/393468327.db2.gz YOICQZMNPFNVON-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000420327374 393468339 /nfs/dbraw/zinc/46/83/39/393468339.db2.gz YOICQZMNPFNVON-SFHVURJKSA-N 1 3 298.430 3.178 20 0 CGADHO CCN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1Cl ZINC000420324965 393468843 /nfs/dbraw/zinc/46/88/43/393468843.db2.gz VUFQDCZXWSFHTN-CYBMUJFWSA-N 1 3 266.816 3.162 20 0 CGADHO c1ccc2cc(CCN3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420353573 393472040 /nfs/dbraw/zinc/47/20/40/393472040.db2.gz BDLPJGFUEHHWNK-HXUWFJFHSA-N 1 3 294.442 3.458 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429536148 393475796 /nfs/dbraw/zinc/47/57/96/393475796.db2.gz DZXLLDKGCSWYJQ-WMZOPIPTSA-N 1 3 274.452 3.424 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429536148 393475797 /nfs/dbraw/zinc/47/57/97/393475797.db2.gz DZXLLDKGCSWYJQ-WMZOPIPTSA-N 1 3 274.452 3.424 20 0 CGADHO Clc1ccc([C@@H](NC[C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000420404555 393484090 /nfs/dbraw/zinc/48/40/90/393484090.db2.gz MDKMZWHASVPVNO-LRDDRELGSA-N 1 3 278.827 3.380 20 0 CGADHO NCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420415787 393486736 /nfs/dbraw/zinc/48/67/36/393486736.db2.gz VHADVCANKOCFJH-OCCSQVGLSA-N 1 3 286.341 3.280 20 0 CGADHO [NH3+]CCCN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000420415787 393486743 /nfs/dbraw/zinc/48/67/43/393486743.db2.gz VHADVCANKOCFJH-OCCSQVGLSA-N 1 3 286.341 3.280 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226779 393543240 /nfs/dbraw/zinc/54/32/40/393543240.db2.gz PPJMVLXCXRWKIO-BEFAXECRSA-N 1 3 286.463 3.480 20 0 CGADHO C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226779 393543243 /nfs/dbraw/zinc/54/32/43/393543243.db2.gz PPJMVLXCXRWKIO-BEFAXECRSA-N 1 3 286.463 3.480 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C ZINC000488431179 393510690 /nfs/dbraw/zinc/51/06/90/393510690.db2.gz OBWHIGRXXDDFHJ-UGUYLWEFSA-N 1 3 252.446 3.133 20 0 CGADHO CCOc1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(C)c1 ZINC000623656819 542780615 /nfs/dbraw/zinc/78/06/15/542780615.db2.gz CMXUFYHIFNQEGY-INIZCTEOSA-N 1 3 290.451 3.215 20 0 CGADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cc2c(s1)CCC2 ZINC000360858437 393600014 /nfs/dbraw/zinc/60/00/14/393600014.db2.gz LPKAJJDLDHCNIK-NWDGAFQWSA-N 1 3 266.454 3.228 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423228090 393655307 /nfs/dbraw/zinc/65/53/07/393655307.db2.gz YCPACYQYEIYRAF-GJZGRUSLSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000423228090 393655309 /nfs/dbraw/zinc/65/53/09/393655309.db2.gz YCPACYQYEIYRAF-GJZGRUSLSA-N 1 3 260.425 3.214 20 0 CGADHO CC(C)(N)C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423289970 393658776 /nfs/dbraw/zinc/65/87/76/393658776.db2.gz YUGFBPFIVMHZRE-CYBMUJFWSA-N 1 3 297.240 3.153 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCC(C)(C)C[NH+](C)C)[C@H](C)C2 ZINC000491368744 393683753 /nfs/dbraw/zinc/68/37/53/393683753.db2.gz QYDSFYPTBKPBFR-RHSMWYFYSA-N 1 3 274.452 3.406 20 0 CGADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423333445 393662444 /nfs/dbraw/zinc/66/24/44/393662444.db2.gz PUMHCVZTDRDIKF-JYJNAYRXSA-N 1 3 252.446 3.181 20 0 CGADHO c1sc(CN[C@H]2CC23CC[NH2+]CC3)nc1-c1ccccc1 ZINC000666952478 542828135 /nfs/dbraw/zinc/82/81/35/542828135.db2.gz YHHXPHQLJSCPLW-HNNXBMFYSA-N 1 3 299.443 3.042 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C)c(Cl)c2)C1 ZINC000443962683 393778450 /nfs/dbraw/zinc/77/84/50/393778450.db2.gz JKCHIVYFLVGYSJ-HNNXBMFYSA-N 1 3 280.843 3.470 20 0 CGADHO CN(CCSC1CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000500073997 393816313 /nfs/dbraw/zinc/81/63/13/393816313.db2.gz MGGNOIJJQIEISD-OAHLLOKOSA-N 1 3 284.513 3.326 20 0 CGADHO CN(CCSC1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000500073997 393816318 /nfs/dbraw/zinc/81/63/18/393816318.db2.gz MGGNOIJJQIEISD-OAHLLOKOSA-N 1 3 284.513 3.326 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092704 393816689 /nfs/dbraw/zinc/81/66/89/393816689.db2.gz PVHICFPFJNVZCH-GJZGRUSLSA-N 1 3 284.513 3.467 20 0 CGADHO C[C@H]1C[C@@H](N(C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092704 393816693 /nfs/dbraw/zinc/81/66/93/393816693.db2.gz PVHICFPFJNVZCH-GJZGRUSLSA-N 1 3 284.513 3.467 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)CC(C)(C)C1 ZINC000666995675 542834232 /nfs/dbraw/zinc/83/42/32/542834232.db2.gz WFXBGWXEHGQTCU-RBSFLKMASA-N 1 3 264.457 3.466 20 0 CGADHO CCC(CC)(CC)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666997113 542834678 /nfs/dbraw/zinc/83/46/78/542834678.db2.gz XOVOFLYTYAVMRK-AWEZNQCLSA-N 1 3 252.446 3.467 20 0 CGADHO CCC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)COC1 ZINC000449599754 393918034 /nfs/dbraw/zinc/91/80/34/393918034.db2.gz LQVDXSGBNVQSDX-WBVHZDCISA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000453083932 394166093 /nfs/dbraw/zinc/16/60/93/394166093.db2.gz WIXJSVJWNNWMKB-GOSISDBHSA-N 1 3 283.419 3.384 20 0 CGADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ccccc1F ZINC000453416233 394240337 /nfs/dbraw/zinc/24/03/37/394240337.db2.gz ISRFDHGUPDLVSM-ZDUSSCGKSA-N 1 3 264.388 3.351 20 0 CGADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ccccc1F ZINC000453416233 394240338 /nfs/dbraw/zinc/24/03/38/394240338.db2.gz ISRFDHGUPDLVSM-ZDUSSCGKSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000453451696 394246807 /nfs/dbraw/zinc/24/68/07/394246807.db2.gz RQNAYYKPNCGFGZ-XUWVNRHRSA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000453451696 394246812 /nfs/dbraw/zinc/24/68/12/394246812.db2.gz RQNAYYKPNCGFGZ-XUWVNRHRSA-N 1 3 250.430 3.028 20 0 CGADHO CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000667502104 542880386 /nfs/dbraw/zinc/88/03/86/542880386.db2.gz UDWLRCGSZKSTER-UHFFFAOYSA-N 1 3 290.451 3.167 20 0 CGADHO CC1=CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000668513557 543021852 /nfs/dbraw/zinc/02/18/52/543021852.db2.gz UGAJWMBUUZNXQZ-IBGZPJMESA-N 1 3 299.462 3.382 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000668513730 543022600 /nfs/dbraw/zinc/02/26/00/543022600.db2.gz WRHUHCCDHFRWGL-CEXWTWQISA-N 1 3 299.462 3.072 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265134 543148347 /nfs/dbraw/zinc/14/83/47/543148347.db2.gz QYQOKALLJXKYHY-HUUCEWRRSA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000670265134 543148351 /nfs/dbraw/zinc/14/83/51/543148351.db2.gz QYQOKALLJXKYHY-HUUCEWRRSA-N 1 3 254.462 3.332 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C(C)C)cc1 ZINC000423396468 292110672 /nfs/dbraw/zinc/11/06/72/292110672.db2.gz NVXXDBNMCRFJFE-SZMVWBNQSA-N 1 3 274.452 3.150 20 0 CGADHO CC[C@H](OCC[NH2+]C[C@H](N)CC(C)C)c1ccccc1 ZINC000650710386 397898148 /nfs/dbraw/zinc/89/81/48/397898148.db2.gz OJCCNVAQPYCSLD-SJORKVTESA-N 1 3 278.440 3.117 20 0 CGADHO Fc1ccccc1C[C@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000650715030 397900017 /nfs/dbraw/zinc/90/00/17/397900017.db2.gz MAQRULJHHNRXCE-DOTOQJQBSA-N 1 3 290.426 3.222 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cccc(C)c1C ZINC000650718332 397901372 /nfs/dbraw/zinc/90/13/72/397901372.db2.gz HRRZCWSCUDDZIK-UHFFFAOYSA-N 1 3 268.404 3.313 20 0 CGADHO C[C@H]1Cc2ccccc2[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650753929 397909261 /nfs/dbraw/zinc/90/92/61/397909261.db2.gz YMCDBCIAAXEGNR-SGTLLEGYSA-N 1 3 284.378 3.308 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H]1CCc2c1cccc2OC ZINC000650757926 397910524 /nfs/dbraw/zinc/91/05/24/397910524.db2.gz FBPNAVAQOSBGHM-SFHVURJKSA-N 1 3 296.414 3.192 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccccc1 ZINC000650759747 397911056 /nfs/dbraw/zinc/91/10/56/397911056.db2.gz PDWNUZNSTWHAFS-CQSZACIVSA-N 1 3 254.377 3.257 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1cccc(OC)c1 ZINC000650759919 397911358 /nfs/dbraw/zinc/91/13/58/397911358.db2.gz TUBFJPUGLAMDFQ-CQSZACIVSA-N 1 3 284.403 3.265 20 0 CGADHO C[C@H](CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675499888 543344739 /nfs/dbraw/zinc/34/47/39/543344739.db2.gz QYBLAAYWSSAJIO-QGZVFWFLSA-N 1 3 295.430 3.225 20 0 CGADHO COC1([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)CCCCC1 ZINC000421828568 292149504 /nfs/dbraw/zinc/14/95/04/292149504.db2.gz DJDGRCYSTZMWBU-JYJNAYRXSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000675752794 543361053 /nfs/dbraw/zinc/36/10/53/543361053.db2.gz YXFCHVVBHJCMBZ-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO Cc1cc(C)cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677240415 543441577 /nfs/dbraw/zinc/44/15/77/543441577.db2.gz HQLSGMHRVLPHNK-ROUUACIJSA-N 1 3 272.436 3.062 20 0 CGADHO Cc1cc(C)cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677240415 543441579 /nfs/dbraw/zinc/44/15/79/543441579.db2.gz HQLSGMHRVLPHNK-ROUUACIJSA-N 1 3 272.436 3.062 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC[C@@H]1C ZINC000678270558 543506838 /nfs/dbraw/zinc/50/68/38/543506838.db2.gz QIQBOMGKTJSWDM-HOTGVXAUSA-N 1 3 290.451 3.105 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccc(OCCN(C)C)cc2)CC[C@@H]1C ZINC000678270558 543506841 /nfs/dbraw/zinc/50/68/41/543506841.db2.gz QIQBOMGKTJSWDM-HOTGVXAUSA-N 1 3 290.451 3.105 20 0 CGADHO Clc1cccc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000678581114 543537238 /nfs/dbraw/zinc/53/72/38/543537238.db2.gz RWHMBTWVIYASFK-IRXDYDNUSA-N 1 3 292.854 3.489 20 0 CGADHO Clc1cccc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000678581114 543537239 /nfs/dbraw/zinc/53/72/39/543537239.db2.gz RWHMBTWVIYASFK-IRXDYDNUSA-N 1 3 292.854 3.489 20 0 CGADHO c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCNCC2)cc1 ZINC000422900343 296616446 /nfs/dbraw/zinc/61/64/46/296616446.db2.gz QDKNXTZNRUEEPX-SQNIBIBYSA-N 1 3 272.436 3.445 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CCCCC1 ZINC000678895087 543569518 /nfs/dbraw/zinc/56/95/18/543569518.db2.gz LMUXVHFXFGUQSK-JKSUJKDBSA-N 1 3 252.446 3.419 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CCCCC1 ZINC000678895085 543569707 /nfs/dbraw/zinc/56/97/07/543569707.db2.gz LMUXVHFXFGUQSK-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccc([C@H]([NH2+]CC2=CCN(C)CC2)C2CC2)cc1 ZINC000271839481 292259144 /nfs/dbraw/zinc/25/91/44/292259144.db2.gz GPXRSUGQKIKLKP-SFHVURJKSA-N 1 3 270.420 3.298 20 0 CGADHO C[C@@H](NCC(C)(C)[NH3+])C1(c2ccccc2)CCCC1 ZINC000423286889 287016486 /nfs/dbraw/zinc/01/64/86/287016486.db2.gz JHGFOXLPRMQOPF-CQSZACIVSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)c1ccccc1 ZINC000271855852 287020106 /nfs/dbraw/zinc/02/01/06/287020106.db2.gz JJNQHTFRYYWMRB-OAHLLOKOSA-N 1 3 272.436 3.204 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000248394285 287046652 /nfs/dbraw/zinc/04/66/52/287046652.db2.gz FNSYEBUIJBWHRT-GUTXKFCHSA-N 1 3 250.430 3.028 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000086402985 165182248 /nfs/dbraw/zinc/18/22/48/165182248.db2.gz KJQJHHVEJUOFJT-LPEHRKFASA-N 1 3 258.818 3.322 20 0 CGADHO COCc1cccc(C[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000088553580 165195624 /nfs/dbraw/zinc/19/56/24/165195624.db2.gz BOIYDLUQOLGZEK-INIZCTEOSA-N 1 3 290.451 3.045 20 0 CGADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccccn1 ZINC000089215185 165197925 /nfs/dbraw/zinc/19/79/25/165197925.db2.gz VLSNUBDBRRVJGM-HNNXBMFYSA-N 1 3 296.418 3.044 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccnc2ccccc21 ZINC000089109058 165199406 /nfs/dbraw/zinc/19/94/06/165199406.db2.gz IQIOYGAHXMYKAE-OCCSQVGLSA-N 1 3 255.365 3.164 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522094 165352401 /nfs/dbraw/zinc/35/24/01/165352401.db2.gz OWUUQOGHPLSPLT-DYVFJYSZSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522094 165352403 /nfs/dbraw/zinc/35/24/03/165352403.db2.gz OWUUQOGHPLSPLT-DYVFJYSZSA-N 1 3 258.409 3.266 20 0 CGADHO c1cc(C2CC2)ccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000094519072 165353229 /nfs/dbraw/zinc/35/32/29/165353229.db2.gz UIHGNDSTMUXBET-HNNXBMFYSA-N 1 3 270.420 3.138 20 0 CGADHO c1cc(C2CC2)ccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000094519072 165353231 /nfs/dbraw/zinc/35/32/31/165353231.db2.gz UIHGNDSTMUXBET-HNNXBMFYSA-N 1 3 270.420 3.138 20 0 CGADHO c1cc(C2CC2)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000094519072 165353234 /nfs/dbraw/zinc/35/32/34/165353234.db2.gz UIHGNDSTMUXBET-HNNXBMFYSA-N 1 3 270.420 3.138 20 0 CGADHO CCC(CC)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066978 287110583 /nfs/dbraw/zinc/11/05/83/287110583.db2.gz RJJPMMLKEPSRDP-WBVHZDCISA-N 1 3 264.457 3.371 20 0 CGADHO CCC(CC)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066978 287110584 /nfs/dbraw/zinc/11/05/84/287110584.db2.gz RJJPMMLKEPSRDP-WBVHZDCISA-N 1 3 264.457 3.371 20 0 CGADHO c1[nH]c2ccccc2c1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261641228 165824901 /nfs/dbraw/zinc/82/49/01/165824901.db2.gz ABAZTNVOHRYMGR-QXAKKESOSA-N 1 3 297.446 3.221 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CC1 ZINC000125646683 287248286 /nfs/dbraw/zinc/24/82/86/287248286.db2.gz ZYPYHZYGGRORJB-HOCLYGCPSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423120782 298885548 /nfs/dbraw/zinc/88/55/48/298885548.db2.gz HOGNFPNNNXSQAN-IRCOFANPSA-N 1 3 266.351 3.071 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000038041805 174043351 /nfs/dbraw/zinc/04/33/51/174043351.db2.gz RYHHSFLXUVGPAU-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCOC2(C)C)CC1 ZINC000449417654 287289354 /nfs/dbraw/zinc/28/93/54/287289354.db2.gz ZQLZPSSUWKILKV-PVAVHDDUSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000449417654 287289356 /nfs/dbraw/zinc/28/93/56/287289356.db2.gz ZQLZPSSUWKILKV-PVAVHDDUSA-N 1 3 294.483 3.187 20 0 CGADHO CCCOc1cccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000314011503 416535810 /nfs/dbraw/zinc/53/58/10/416535810.db2.gz NPVOMWMNIUJKQO-WMZOPIPTSA-N 1 3 288.435 3.036 20 0 CGADHO CCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000314011503 416535814 /nfs/dbraw/zinc/53/58/14/416535814.db2.gz NPVOMWMNIUJKQO-WMZOPIPTSA-N 1 3 288.435 3.036 20 0 CGADHO CCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000314011503 416535821 /nfs/dbraw/zinc/53/58/21/416535821.db2.gz NPVOMWMNIUJKQO-WMZOPIPTSA-N 1 3 288.435 3.036 20 0 CGADHO C[C@@H]1CCC[N@H+](CCCCC2CCOCC2)[C@@H]1CCN ZINC000404258715 416552877 /nfs/dbraw/zinc/55/28/77/416552877.db2.gz CJAQKKDCXDGYBR-NVXWUHKLSA-N 1 3 282.472 3.033 20 0 CGADHO C[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)[C@@H]1CCN ZINC000404258715 416552879 /nfs/dbraw/zinc/55/28/79/416552879.db2.gz CJAQKKDCXDGYBR-NVXWUHKLSA-N 1 3 282.472 3.033 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071776 543821013 /nfs/dbraw/zinc/82/10/13/543821013.db2.gz IZQSCRBYZWVIGI-KSSFIOAISA-N 1 3 285.435 3.330 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]2)[C@@H](C)C1 ZINC000682071776 543821015 /nfs/dbraw/zinc/82/10/15/543821015.db2.gz IZQSCRBYZWVIGI-KSSFIOAISA-N 1 3 285.435 3.330 20 0 CGADHO c1ccc2c(c1)CC[C@H]2N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000682074601 543822826 /nfs/dbraw/zinc/82/28/26/543822826.db2.gz QELBEPRLCHVQHT-QFBILLFUSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000682074601 543822829 /nfs/dbraw/zinc/82/28/29/543822829.db2.gz QELBEPRLCHVQHT-QFBILLFUSA-N 1 3 284.447 3.482 20 0 CGADHO c1ccc2c(c1)CC[C@H]2[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000682074601 543822831 /nfs/dbraw/zinc/82/28/31/543822831.db2.gz QELBEPRLCHVQHT-QFBILLFUSA-N 1 3 284.447 3.482 20 0 CGADHO C[C@@H]1SCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000682161205 543832139 /nfs/dbraw/zinc/83/21/39/543832139.db2.gz LPFKLGDOBGYSEF-XJKSGUPXSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1SCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000682161205 543832141 /nfs/dbraw/zinc/83/21/41/543832141.db2.gz LPFKLGDOBGYSEF-XJKSGUPXSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1SCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000682161202 543832203 /nfs/dbraw/zinc/83/22/03/543832203.db2.gz LPFKLGDOBGYSEF-BBRMVZONSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1SCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000682161202 543832205 /nfs/dbraw/zinc/83/22/05/543832205.db2.gz LPFKLGDOBGYSEF-BBRMVZONSA-N 1 3 282.497 3.267 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)C1 ZINC000682375713 543837452 /nfs/dbraw/zinc/83/74/52/543837452.db2.gz MLADNOLBOGJIRM-TWMKSMIVSA-N 1 3 266.473 3.379 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)CC1 ZINC000683789057 543942597 /nfs/dbraw/zinc/94/25/97/543942597.db2.gz WDNFWZLBAPMVOP-RDJZCZTQSA-N 1 3 258.409 3.090 20 0 CGADHO CN(C)[C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)CC1 ZINC000683789057 543942600 /nfs/dbraw/zinc/94/26/00/543942600.db2.gz WDNFWZLBAPMVOP-RDJZCZTQSA-N 1 3 258.409 3.090 20 0 CGADHO C[NH+](C)[C@H]1CCCN([C@H]2CCc3ccccc32)CC1 ZINC000683789057 543942602 /nfs/dbraw/zinc/94/26/02/543942602.db2.gz WDNFWZLBAPMVOP-RDJZCZTQSA-N 1 3 258.409 3.090 20 0 CGADHO CN(C)C1CC[NH+](CCCC2CCCCC2)CC1 ZINC000685410781 544065894 /nfs/dbraw/zinc/06/58/94/544065894.db2.gz ZHUUKUFDJDCCGE-UHFFFAOYSA-N 1 3 252.446 3.373 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C/C=C\c1ccc(F)cc1)C2 ZINC000685443837 544070643 /nfs/dbraw/zinc/07/06/43/544070643.db2.gz ZHROOSAYSOFNTD-HODHHHKJSA-N 1 3 288.410 3.396 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C/C=C\c1ccc(F)cc1)C2 ZINC000685443837 544070646 /nfs/dbraw/zinc/07/06/46/544070646.db2.gz ZHROOSAYSOFNTD-HODHHHKJSA-N 1 3 288.410 3.396 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H]2CCCc3cccnc32)CC1 ZINC000684957861 544045198 /nfs/dbraw/zinc/04/51/98/544045198.db2.gz YYZHHEKPVYWZRX-QGZVFWFLSA-N 1 3 287.451 3.171 20 0 CGADHO CCC[NH+]1CCC(CNCc2ccc(CC)o2)CC1 ZINC000132790099 287410913 /nfs/dbraw/zinc/41/09/13/287410913.db2.gz PSOWJRLCRKXZEU-UHFFFAOYSA-N 1 3 264.413 3.054 20 0 CGADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650741619 418936340 /nfs/dbraw/zinc/93/63/40/418936340.db2.gz HVDNLCRIAKWXTL-LTFXXXRZSA-N 1 3 284.447 3.361 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CCOC1(C)C)C1CCCCC1 ZINC000652237691 418939436 /nfs/dbraw/zinc/93/94/36/418939436.db2.gz AAIRUFCUUCUGSI-MRXNPFEDSA-N 1 3 282.472 3.188 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CCOC1(C)C)C1CCCCC1 ZINC000652237691 418939438 /nfs/dbraw/zinc/93/94/38/418939438.db2.gz AAIRUFCUUCUGSI-MRXNPFEDSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]1CCC[N@H+](CCCc2ccsc2)[C@H]1CCN ZINC000652356019 418957151 /nfs/dbraw/zinc/95/71/51/418957151.db2.gz QFXRZDSUBDVVOI-ZFWWWQNUSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@H]1CCC[N@@H+](CCCc2ccsc2)[C@H]1CCN ZINC000652356019 418957154 /nfs/dbraw/zinc/95/71/54/418957154.db2.gz QFXRZDSUBDVVOI-ZFWWWQNUSA-N 1 3 266.454 3.130 20 0 CGADHO C[C@H]1CCCN(CCCc2ccsc2)[C@H]1CC[NH3+] ZINC000652356019 418957155 /nfs/dbraw/zinc/95/71/55/418957155.db2.gz QFXRZDSUBDVVOI-ZFWWWQNUSA-N 1 3 266.454 3.130 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CCCC2CCC2)C1 ZINC000659976674 419050236 /nfs/dbraw/zinc/05/02/36/419050236.db2.gz UMNXWMSFQZKKCI-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659976674 419050240 /nfs/dbraw/zinc/05/02/40/419050240.db2.gz UMNXWMSFQZKKCI-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659976674 419050243 /nfs/dbraw/zinc/05/02/43/419050243.db2.gz UMNXWMSFQZKKCI-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO Cc1cc([C@@H]([NH2+]CC2(N)CCCC2)C2CC2)ccc1F ZINC000665247988 419090316 /nfs/dbraw/zinc/09/03/16/419090316.db2.gz NDLPIKOWVOZFKZ-INIZCTEOSA-N 1 3 276.399 3.446 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274583 419098578 /nfs/dbraw/zinc/09/85/78/419098578.db2.gz UBFIYUICSYWLBQ-QBPKDAKJSA-N 1 3 258.409 3.040 20 0 CGADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000655804259 419100552 /nfs/dbraw/zinc/10/05/52/419100552.db2.gz REMWFPCBKQUDKJ-NDMJEZRESA-N 1 3 298.352 3.021 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCc2c1cccc2Cl ZINC000665281291 419103833 /nfs/dbraw/zinc/10/38/33/419103833.db2.gz ZFNSTRHFYFUAME-HUUCEWRRSA-N 1 3 266.816 3.290 20 0 CGADHO CO[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283627 419104346 /nfs/dbraw/zinc/10/43/46/419104346.db2.gz RJCKTYOYWVVENC-BRSBDYLESA-N 1 3 294.483 3.092 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)CNC ZINC000665295768 419108369 /nfs/dbraw/zinc/10/83/69/419108369.db2.gz ISSBMGDBEQSWGN-DGCLKSJQSA-N 1 3 286.872 3.408 20 0 CGADHO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)CNC ZINC000665295767 419108597 /nfs/dbraw/zinc/10/85/97/419108597.db2.gz ISSBMGDBEQSWGN-AAEUAGOBSA-N 1 3 286.872 3.408 20 0 CGADHO COc1cccc(CN[C@@H](C)c2ccc(C[NH3+])nc2C)c1C ZINC000665295025 419109152 /nfs/dbraw/zinc/10/91/52/419109152.db2.gz ZSRADDGVOLBBBF-ZDUSSCGKSA-N 1 3 299.418 3.017 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](CC)CC(F)F)C1 ZINC000659982731 419052250 /nfs/dbraw/zinc/05/22/50/419052250.db2.gz VQAQRMCJLVODTC-ZIAGYGMSSA-N 1 3 276.415 3.332 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](CC)CC(F)F)C1 ZINC000659982731 419052251 /nfs/dbraw/zinc/05/22/51/419052251.db2.gz VQAQRMCJLVODTC-ZIAGYGMSSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982731 419052255 /nfs/dbraw/zinc/05/22/55/419052255.db2.gz VQAQRMCJLVODTC-ZIAGYGMSSA-N 1 3 276.415 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000659982731 419052261 /nfs/dbraw/zinc/05/22/61/419052261.db2.gz VQAQRMCJLVODTC-ZIAGYGMSSA-N 1 3 276.415 3.332 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000660656835 419177335 /nfs/dbraw/zinc/17/73/35/419177335.db2.gz VDFDNVGCLAQDCB-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2 ZINC000660656835 419177336 /nfs/dbraw/zinc/17/73/36/419177336.db2.gz VDFDNVGCLAQDCB-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H](C)N(C)C)c1ccc(F)cc1 ZINC000656682536 419199791 /nfs/dbraw/zinc/19/97/91/419199791.db2.gz UETUARQPCLBNIY-DOMZBBRYSA-N 1 3 252.377 3.207 20 0 CGADHO Cc1cccc(CC[C@@H](C)NCC2([NH3+])CCCC2)c1 ZINC000656789805 419221290 /nfs/dbraw/zinc/22/12/90/419221290.db2.gz ZDZQTGAXVYLJTL-OAHLLOKOSA-N 1 3 260.425 3.177 20 0 CGADHO CCCN(CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000662309907 419388430 /nfs/dbraw/zinc/38/84/30/419388430.db2.gz AMYMRJLIIACXGE-UHFFFAOYSA-N 1 3 278.415 3.427 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320789 419389336 /nfs/dbraw/zinc/38/93/36/419389336.db2.gz DREXXFGPHGMIJV-NVXWUHKLSA-N 1 3 264.457 3.278 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662320789 419389339 /nfs/dbraw/zinc/38/93/39/419389339.db2.gz DREXXFGPHGMIJV-NVXWUHKLSA-N 1 3 264.457 3.278 20 0 CGADHO C[NH2+]C[C@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 ZINC000662236537 419368524 /nfs/dbraw/zinc/36/85/24/419368524.db2.gz FDKJKDXHEVGDDW-NVXWUHKLSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000662243445 419369200 /nfs/dbraw/zinc/36/92/00/419369200.db2.gz BFZZCCKCNHNKLY-RHSMWYFYSA-N 1 3 260.425 3.369 20 0 CGADHO C(CC1CCC1)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662263899 419376651 /nfs/dbraw/zinc/37/66/51/419376651.db2.gz GHSCBWCSQTYECE-JKSUJKDBSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000662280475 419381884 /nfs/dbraw/zinc/38/18/84/419381884.db2.gz FBXBLRQNCAYHHK-DYVFJYSZSA-N 1 3 258.409 3.001 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662276879 419383234 /nfs/dbraw/zinc/38/32/34/419383234.db2.gz MOGIEOAECDJGJZ-DOTOQJQBSA-N 1 3 272.436 3.084 20 0 CGADHO CC1(C)C[NH2+]CC[C@H]1NCC[C@@H]1CCc2ccccc21 ZINC000662276879 419383237 /nfs/dbraw/zinc/38/32/37/419383237.db2.gz MOGIEOAECDJGJZ-DOTOQJQBSA-N 1 3 272.436 3.084 20 0 CGADHO FC1(F)CCCC[C@@H]1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662277520 419383297 /nfs/dbraw/zinc/38/32/97/419383297.db2.gz VOBFUMFVHAQLQM-ZNMIVQPWSA-N 1 3 286.410 3.276 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842732 419383514 /nfs/dbraw/zinc/38/35/14/419383514.db2.gz WYDUJECBQFFJFX-STQMWFEESA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842732 419383520 /nfs/dbraw/zinc/38/35/20/419383520.db2.gz WYDUJECBQFFJFX-STQMWFEESA-N 1 3 289.448 3.289 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc3ccncc3s2)C1 ZINC000657842732 419383524 /nfs/dbraw/zinc/38/35/24/419383524.db2.gz WYDUJECBQFFJFX-STQMWFEESA-N 1 3 289.448 3.289 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C(C)(C)C(F)F ZINC000657844696 419385853 /nfs/dbraw/zinc/38/58/53/419385853.db2.gz RKYFJMCHZYBDRV-QWHCGFSZSA-N 1 3 276.415 3.378 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000662285749 419386325 /nfs/dbraw/zinc/38/63/25/419386325.db2.gz MWZQMSHEYKOJHK-YNEHKIRRSA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000662285749 419386327 /nfs/dbraw/zinc/38/63/27/419386327.db2.gz MWZQMSHEYKOJHK-YNEHKIRRSA-N 1 3 262.388 3.117 20 0 CGADHO CCOC1CCC([NH2+]C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC000657932610 419448220 /nfs/dbraw/zinc/44/82/20/419448220.db2.gz WKLSTYSXJJTBJC-WWDZGPRUSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCc1cc(Cl)cc2cccnc21 ZINC000663497902 419635680 /nfs/dbraw/zinc/63/56/80/419635680.db2.gz IATMGFKZBUETDC-OAHLLOKOSA-N 1 3 291.826 3.351 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H](N)C(C)C ZINC000663504071 419638362 /nfs/dbraw/zinc/63/83/62/419638362.db2.gz VSUGOPCKBSLBBL-DLBZAZTESA-N 1 3 262.441 3.279 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)NCC[C@@H]([NH3+])C(C)C ZINC000663504071 419638370 /nfs/dbraw/zinc/63/83/70/419638370.db2.gz VSUGOPCKBSLBBL-DLBZAZTESA-N 1 3 262.441 3.279 20 0 CGADHO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663345246 419569268 /nfs/dbraw/zinc/56/92/68/419569268.db2.gz HGNLBWZTNIOKQI-ZBFHGGJFSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663468523 419619319 /nfs/dbraw/zinc/61/93/19/419619319.db2.gz LRRQZJDNFNKOAK-OIISXLGYSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CCC1 ZINC000663466395 419621213 /nfs/dbraw/zinc/62/12/13/419621213.db2.gz SGODTGTTWSXNDY-RDJZCZTQSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOCc1ccccc1 ZINC000390060918 262099009 /nfs/dbraw/zinc/09/90/09/262099009.db2.gz UDDPQRQWSSSNBR-FUHWJXTLSA-N 1 3 290.451 3.104 20 0 CGADHO CC(C)C[C@H]1OCCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000186833871 270067368 /nfs/dbraw/zinc/06/73/68/270067368.db2.gz ICHSGHAZQWXXEU-DLBZAZTESA-N 1 3 296.499 3.433 20 0 CGADHO CCC(CC)[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000305134365 270092381 /nfs/dbraw/zinc/09/23/81/270092381.db2.gz NYUFNIACWDEBDM-GOSISDBHSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(CC)[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305134365 270092382 /nfs/dbraw/zinc/09/23/82/270092382.db2.gz NYUFNIACWDEBDM-GOSISDBHSA-N 1 3 296.499 3.170 20 0 CGADHO CC(C)[C@@H](CC(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000526108131 270122954 /nfs/dbraw/zinc/12/29/54/270122954.db2.gz NEABBGURYRIABW-CQSZACIVSA-N 1 3 292.389 3.427 20 0 CGADHO c1ccc2c(c1)CCC(C[NH2+][C@@H]1CCN3CCC[C@H]3C1)CC2 ZINC000527733371 270133227 /nfs/dbraw/zinc/13/32/27/270133227.db2.gz GHKYEINWGXPOTP-UXHICEINSA-N 1 3 298.474 3.398 20 0 CGADHO C[C@H]([NH2+]CC1CC=CC1)c1cccc(OCCN(C)C)c1 ZINC000527942987 270146145 /nfs/dbraw/zinc/14/61/45/270146145.db2.gz IDKQHMPNMLUJRE-HNNXBMFYSA-N 1 3 288.435 3.244 20 0 CGADHO FC(F)(F)c1cccc2c1CCN(CC[C@H]1CC[NH2+]C1)C2 ZINC000530231515 270196905 /nfs/dbraw/zinc/19/69/05/270196905.db2.gz ILYNFIDDBMRJDU-GFCCVEGCSA-N 1 3 298.352 3.063 20 0 CGADHO CC(C)[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000531692104 270208832 /nfs/dbraw/zinc/20/88/32/270208832.db2.gz KWEIKUOAYBNAQC-UXLLHSPISA-N 1 3 266.473 3.379 20 0 CGADHO CCc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c2ccccc2n1 ZINC000532780751 270219535 /nfs/dbraw/zinc/21/95/35/270219535.db2.gz WIEYZHDLHSJBFC-HNNXBMFYSA-N 1 3 297.446 3.361 20 0 CGADHO CCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c2ccccc2n1 ZINC000532780751 270219536 /nfs/dbraw/zinc/21/95/36/270219536.db2.gz WIEYZHDLHSJBFC-HNNXBMFYSA-N 1 3 297.446 3.361 20 0 CGADHO Cc1cc(C[NH2+]C2CCN(CC3CC3)CC2)cs1 ZINC000449093943 533688569 /nfs/dbraw/zinc/68/85/69/533688569.db2.gz XNNGULAHGJFJCG-UHFFFAOYSA-N 1 3 264.438 3.021 20 0 CGADHO C[C@@H]1CCC[C@@H](CC[N@H+](C)[C@H]2CCCNCC2)C1 ZINC000358339286 274294417 /nfs/dbraw/zinc/29/44/17/274294417.db2.gz XSNOVKVRZZZCKF-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)[C@H]2CCCNCC2)C1 ZINC000358339286 274294420 /nfs/dbraw/zinc/29/44/20/274294420.db2.gz XSNOVKVRZZZCKF-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc(C)c1F ZINC000423401427 274722289 /nfs/dbraw/zinc/72/22/89/274722289.db2.gz WCVXIECTEGLSMZ-QEJZJMRPSA-N 1 3 264.388 3.363 20 0 CGADHO Cc1ccc2c(c1)[C@H](NCc1ccc3c(c1)C[NH2+]C3)CC2 ZINC000423387345 274778463 /nfs/dbraw/zinc/77/84/63/274778463.db2.gz MLUFMSJVGJVENV-LJQANCHMSA-N 1 3 278.399 3.375 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2[N@H+]1CCCNCC1 ZINC000035099656 275069098 /nfs/dbraw/zinc/06/90/98/275069098.db2.gz STGQZHWMQYEXBT-UHFFFAOYSA-N 1 3 264.372 3.052 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CCCNCC1 ZINC000035099656 275069099 /nfs/dbraw/zinc/06/90/99/275069099.db2.gz STGQZHWMQYEXBT-UHFFFAOYSA-N 1 3 264.372 3.052 20 0 CGADHO C(C[NH2+][C@H](C1CC1)C1CCCC1)CN1CCCC1 ZINC000453090960 275393819 /nfs/dbraw/zinc/39/38/19/275393819.db2.gz PRLNLHKNTMTNPK-INIZCTEOSA-N 1 3 250.430 3.031 20 0 CGADHO CC1CCC(OC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000262037154 275933618 /nfs/dbraw/zinc/93/36/18/275933618.db2.gz XWPORRNVCCTXCX-AQFXKWCLSA-N 1 3 294.483 3.046 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000129757098 276152205 /nfs/dbraw/zinc/15/22/05/276152205.db2.gz MUNNAPPQOCBMCT-INIZCTEOSA-N 1 3 278.827 3.401 20 0 CGADHO CC[N@@H+]1CCC[C@H]1CNCc1cc(C)c(C)cc1C ZINC000034991945 276186866 /nfs/dbraw/zinc/18/68/66/276186866.db2.gz BZYWWRJZRAQTTF-KRWDZBQOSA-N 1 3 260.425 3.186 20 0 CGADHO CC[N@H+]1CCC[C@H]1CNCc1cc(C)c(C)cc1C ZINC000034991945 276186867 /nfs/dbraw/zinc/18/68/67/276186867.db2.gz BZYWWRJZRAQTTF-KRWDZBQOSA-N 1 3 260.425 3.186 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)C1 ZINC000295906338 276212464 /nfs/dbraw/zinc/21/24/64/276212464.db2.gz IYGNNWSWQOEUID-GXTWGEPZSA-N 1 3 293.842 3.044 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250251044 276212791 /nfs/dbraw/zinc/21/27/91/276212791.db2.gz IODIIDLQTLMMKW-JSGCOSHPSA-N 1 3 264.438 3.057 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3sccc32)C1 ZINC000250251044 276212792 /nfs/dbraw/zinc/21/27/92/276212792.db2.gz IODIIDLQTLMMKW-JSGCOSHPSA-N 1 3 264.438 3.057 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000250251044 276212793 /nfs/dbraw/zinc/21/27/93/276212793.db2.gz IODIIDLQTLMMKW-JSGCOSHPSA-N 1 3 264.438 3.057 20 0 CGADHO CCCC1CCC([NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000414823164 276226090 /nfs/dbraw/zinc/22/60/90/276226090.db2.gz BCLHFJVMZOHTBE-CIDNJEQPSA-N 1 3 252.446 3.323 20 0 CGADHO CCOCCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000422936496 276314263 /nfs/dbraw/zinc/31/42/63/276314263.db2.gz IJSUHTNUKQIVJH-IAGOWNOFSA-N 1 3 288.435 3.318 20 0 CGADHO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C1 ZINC000423386629 276652105 /nfs/dbraw/zinc/65/21/05/276652105.db2.gz MCEYPEHQHSBFSV-GUYCJALGSA-N 1 3 258.409 3.348 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2C2CC2)C[C@@H](C)O1 ZINC000359317440 277889248 /nfs/dbraw/zinc/88/92/48/277889248.db2.gz WBHQPAOUYHJLRJ-XYVMCAHJSA-N 1 3 294.483 3.044 20 0 CGADHO C[N@H+](CCCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000395103145 288005570 /nfs/dbraw/zinc/00/55/70/288005570.db2.gz AOMMEFCOMNZJKR-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO C[N@@H+](CCCC1CCCCC1)[C@@H]1CCCNCC1 ZINC000395103145 288005571 /nfs/dbraw/zinc/00/55/71/288005571.db2.gz AOMMEFCOMNZJKR-MRXNPFEDSA-N 1 3 252.446 3.421 20 0 CGADHO C[N@H+](CCCC1CCCCC1)[C@H]1CCCNCC1 ZINC000395103143 288005633 /nfs/dbraw/zinc/00/56/33/288005633.db2.gz AOMMEFCOMNZJKR-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO C[N@@H+](CCCC1CCCCC1)[C@H]1CCCNCC1 ZINC000395103143 288005635 /nfs/dbraw/zinc/00/56/35/288005635.db2.gz AOMMEFCOMNZJKR-INIZCTEOSA-N 1 3 252.446 3.421 20 0 CGADHO CC[NH+](CC)Cc1ccc(CN[C@@H]2COC(C)(C)C2)cc1 ZINC000396781556 288016472 /nfs/dbraw/zinc/01/64/72/288016472.db2.gz IUWCHGUVFNKJMA-KRWDZBQOSA-N 1 3 290.451 3.186 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000397287180 288022571 /nfs/dbraw/zinc/02/25/71/288022571.db2.gz VCFQPDSKNBXRPM-CPUCHLNUSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@H]1CCCN(C2CCC2)C1 ZINC000411516654 278264145 /nfs/dbraw/zinc/26/41/45/278264145.db2.gz KIGZLSJVNBMUNM-YQQAZPJKSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@H]1CCC(C)(C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516654 278264146 /nfs/dbraw/zinc/26/41/46/278264146.db2.gz KIGZLSJVNBMUNM-YQQAZPJKSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](NC[C@H]1CCC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516654 278264147 /nfs/dbraw/zinc/26/41/47/278264147.db2.gz KIGZLSJVNBMUNM-YQQAZPJKSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1CN)c1ccccc1 ZINC000089145377 278622461 /nfs/dbraw/zinc/62/24/61/278622461.db2.gz PTWWSQHTZYWYPZ-HOCLYGCPSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358391615 279014552 /nfs/dbraw/zinc/01/45/52/279014552.db2.gz FEDJLCDZROIRDF-BKBUGSPTSA-N 1 3 276.399 3.131 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358391615 279014553 /nfs/dbraw/zinc/01/45/53/279014553.db2.gz FEDJLCDZROIRDF-BKBUGSPTSA-N 1 3 276.399 3.131 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423211671 279027032 /nfs/dbraw/zinc/02/70/32/279027032.db2.gz LCHBQEJRGVBGJI-JYJNAYRXSA-N 1 3 252.446 3.181 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000338299780 279100450 /nfs/dbraw/zinc/10/04/50/279100450.db2.gz ZQGLDAWHOUOEIW-HDMKZQKVSA-N 1 3 290.451 3.261 20 0 CGADHO CC[NH+]1CCC(N[C@@H]2CCCNc3ccccc32)CC1 ZINC000278314991 279262197 /nfs/dbraw/zinc/26/21/97/279262197.db2.gz UIICEMWBZBKQNU-QGZVFWFLSA-N 1 3 273.424 3.007 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1CCCNC1)CC1CCCCC1 ZINC000414826744 279347322 /nfs/dbraw/zinc/34/73/22/279347322.db2.gz JKUYAXCNNOLVIT-HOCLYGCPSA-N 1 3 252.446 3.182 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC(C)(C)Cc2occc21)CN(C)C ZINC000425936142 279348615 /nfs/dbraw/zinc/34/86/15/279348615.db2.gz HFKXFASLDJHBAB-TZMCWYRMSA-N 1 3 264.413 3.080 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1nc2c(s1)CCCC2 ZINC000423468118 279485054 /nfs/dbraw/zinc/48/50/54/279485054.db2.gz JIXVVPVJXAHPMO-AVGNSLFASA-N 1 3 293.480 3.190 20 0 CGADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000521899456 288142950 /nfs/dbraw/zinc/14/29/50/288142950.db2.gz XFJDIQSPJKDXBW-DDWPSWQVSA-N 1 3 296.842 3.276 20 0 CGADHO CC(C)OCCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000224996868 279661465 /nfs/dbraw/zinc/66/14/65/279661465.db2.gz QFFUIEPAPFSHHZ-HZPDHXFCSA-N 1 3 270.461 3.092 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C[C@H](C)O1 ZINC000337390335 288160741 /nfs/dbraw/zinc/16/07/41/288160741.db2.gz NGGDEQBFMQFXPG-ILOCAZANSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)SCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261591676 279750296 /nfs/dbraw/zinc/75/02/96/279750296.db2.gz XZJJZYMYJPPCPC-RRFJBIMHSA-N 1 3 270.486 3.028 20 0 CGADHO C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527632871 288178497 /nfs/dbraw/zinc/17/84/97/288178497.db2.gz AVXQJBHEQSUXHR-KKXDTOCCSA-N 1 3 272.436 3.272 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527670412 288187125 /nfs/dbraw/zinc/18/71/25/288187125.db2.gz OGUCWMKSZFMHGM-KKXDTOCCSA-N 1 3 276.468 3.418 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422872122 280310155 /nfs/dbraw/zinc/31/01/55/280310155.db2.gz FTUYLNDJEXVVMX-WOSRLPQWSA-N 1 3 261.413 3.078 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423030288 281125104 /nfs/dbraw/zinc/12/51/04/281125104.db2.gz VZWZIYLICPDOGM-UWWQBHOKSA-N 1 3 272.436 3.350 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)CCC2 ZINC000423030288 281125106 /nfs/dbraw/zinc/12/51/06/281125106.db2.gz VZWZIYLICPDOGM-UWWQBHOKSA-N 1 3 272.436 3.350 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCNC12CCC2 ZINC000530176951 288294784 /nfs/dbraw/zinc/29/47/84/288294784.db2.gz FFNLBQGVFZPJCC-WBVHZDCISA-N 1 3 272.436 3.130 20 0 CGADHO CC[C@H]1C[C@@H](C[NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000503581447 281228468 /nfs/dbraw/zinc/22/84/68/281228468.db2.gz NPQJXFXDBNYMHE-ZFWWWQNUSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)C1CCCC1)N1CCCCC1 ZINC000541557764 288706915 /nfs/dbraw/zinc/70/69/15/288706915.db2.gz UGTHHOHKVWJXHD-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO Cc1cc(C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC000554874139 289316039 /nfs/dbraw/zinc/31/60/39/289316039.db2.gz CEZGZDJBMDEYID-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO Cc1cc(C[N@H+](C)CCCN(C)C)ccc1Cl ZINC000554874139 289316040 /nfs/dbraw/zinc/31/60/40/289316040.db2.gz CEZGZDJBMDEYID-UHFFFAOYSA-N 1 3 254.805 3.032 20 0 CGADHO C[C@H]([NH3+])C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000420296722 289766218 /nfs/dbraw/zinc/76/62/18/289766218.db2.gz QSHOSXXVFPDXCS-MEDUHNTESA-N 1 3 278.827 3.387 20 0 CGADHO C[C@H]1CCC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000020143151 299900320 /nfs/dbraw/zinc/90/03/20/299900320.db2.gz NCJIUCMXNPHHMN-STQMWFEESA-N 1 3 252.446 3.464 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422939010 295250806 /nfs/dbraw/zinc/25/08/06/295250806.db2.gz QNBNBMFUOAPZGE-PKOBYXMFSA-N 1 3 282.431 3.489 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039927 297287574 /nfs/dbraw/zinc/28/75/74/297287574.db2.gz GDBUPWIPKGRBSL-KEYYUXOJSA-N 1 3 273.424 3.006 20 0 CGADHO C[C@@H]1C[C@@H](N[C@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039927 297287575 /nfs/dbraw/zinc/28/75/75/297287575.db2.gz GDBUPWIPKGRBSL-KEYYUXOJSA-N 1 3 273.424 3.006 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000423051741 298877070 /nfs/dbraw/zinc/87/70/70/298877070.db2.gz OYVNQLRRWDWANZ-LAVFITLUSA-N 1 3 294.483 3.092 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414949028 300325728 /nfs/dbraw/zinc/32/57/28/300325728.db2.gz ZKHFBNQBZCYDOB-VXGQWTEUSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCNC1 ZINC000414919068 300806432 /nfs/dbraw/zinc/80/64/32/300806432.db2.gz VXKHTEAYBSHMLD-AVGNSLFASA-N 1 3 278.362 3.087 20 0 CGADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H]1CNCCCO1 ZINC000423490634 302126131 /nfs/dbraw/zinc/12/61/31/302126131.db2.gz IISQEHLOHSGIFP-SJLPKXTDSA-N 1 3 290.451 3.050 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000423011492 302588418 /nfs/dbraw/zinc/58/84/18/302588418.db2.gz IWNKAVJXHUBSEB-SNVBAGLBSA-N 1 3 283.366 3.077 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313091222 303465554 /nfs/dbraw/zinc/46/55/54/303465554.db2.gz ZFXIOWOWDCVQQD-QLFBSQMISA-N 1 3 250.430 3.349 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)[C@@H]1CCCNC1 ZINC000582713225 329129444 /nfs/dbraw/zinc/12/94/44/329129444.db2.gz DRUSTADKMZQLCD-SOUVJXGZSA-N 1 3 252.446 3.181 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccccc2N2CCCCC2)C1 ZINC000563796262 322010406 /nfs/dbraw/zinc/01/04/06/322010406.db2.gz WOERDMRSCCTSGS-IRXDYDNUSA-N 1 3 287.451 3.036 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000564728899 322040451 /nfs/dbraw/zinc/04/04/51/322040451.db2.gz KWJAAUAEOQECAH-RTBURBONSA-N 1 3 286.463 3.249 20 0 CGADHO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCCNC3)C2)cc1 ZINC000564728899 322040453 /nfs/dbraw/zinc/04/04/53/322040453.db2.gz KWJAAUAEOQECAH-RTBURBONSA-N 1 3 286.463 3.249 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)C1CCCCC1 ZINC000565226845 322068410 /nfs/dbraw/zinc/06/84/10/322068410.db2.gz OJAUTNOHKBDZNR-LSDHHAIUSA-N 1 3 252.446 3.452 20 0 CGADHO Cc1ccccc1CCCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565459941 322078809 /nfs/dbraw/zinc/07/88/09/322078809.db2.gz SWMOLQCRFCLRLM-ZWKOTPCHSA-N 1 3 272.436 3.096 20 0 CGADHO Cc1ccccc1CCCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565459941 322078810 /nfs/dbraw/zinc/07/88/10/322078810.db2.gz SWMOLQCRFCLRLM-ZWKOTPCHSA-N 1 3 272.436 3.096 20 0 CGADHO C[C@@H](N(C)C[C@H](C[NH3+])c1ccc(F)cc1)C(C)(C)C ZINC000565827936 322092869 /nfs/dbraw/zinc/09/28/69/322092869.db2.gz GKPZJRAJKFHLAY-OCCSQVGLSA-N 1 3 266.404 3.234 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)C1 ZINC000566706549 322134928 /nfs/dbraw/zinc/13/49/28/322134928.db2.gz YLPLLQYVXCJYDK-JFIYKMOQSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)C1 ZINC000566706549 322134930 /nfs/dbraw/zinc/13/49/30/322134930.db2.gz YLPLLQYVXCJYDK-JFIYKMOQSA-N 1 3 278.484 3.476 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000566748471 322137049 /nfs/dbraw/zinc/13/70/49/322137049.db2.gz KUJJVAVGYFDDGG-CABCVRRESA-N 1 3 250.430 3.029 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCNC1 ZINC000567723929 322174703 /nfs/dbraw/zinc/17/47/03/322174703.db2.gz CKWHNAPHCMQPPD-IGQOVBAYSA-N 1 3 292.389 3.333 20 0 CGADHO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000567865140 322180568 /nfs/dbraw/zinc/18/05/68/322180568.db2.gz HGEIRAZQUKKIEW-WMZOPIPTSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000567865140 322180570 /nfs/dbraw/zinc/18/05/70/322180570.db2.gz HGEIRAZQUKKIEW-WMZOPIPTSA-N 1 3 274.452 3.487 20 0 CGADHO CC(C)C[C@@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000567865140 322180572 /nfs/dbraw/zinc/18/05/72/322180572.db2.gz HGEIRAZQUKKIEW-WMZOPIPTSA-N 1 3 274.452 3.487 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(Cl)c2cccnc12 ZINC000567870950 322181181 /nfs/dbraw/zinc/18/11/81/322181181.db2.gz AHZKDCUMPVVCAS-QWRGUYRKSA-N 1 3 277.799 3.104 20 0 CGADHO COCCNC1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000568277385 322203228 /nfs/dbraw/zinc/20/32/28/322203228.db2.gz UEVHUADSSKPKSE-UHFFFAOYSA-N 1 3 298.430 3.040 20 0 CGADHO CCc1ccc2nccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000570131524 322265523 /nfs/dbraw/zinc/26/55/23/322265523.db2.gz FXCRDQVULIHTOJ-OAHLLOKOSA-N 1 3 295.430 3.115 20 0 CGADHO CCc1ccc2nccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000570131524 322265524 /nfs/dbraw/zinc/26/55/24/322265524.db2.gz FXCRDQVULIHTOJ-OAHLLOKOSA-N 1 3 295.430 3.115 20 0 CGADHO CC(C)[NH2+]CCCN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000570507869 322274977 /nfs/dbraw/zinc/27/49/77/322274977.db2.gz KDCKXIBUEPFKQA-DOTOQJQBSA-N 1 3 275.440 3.086 20 0 CGADHO CC(C)NCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000570507869 322274978 /nfs/dbraw/zinc/27/49/78/322274978.db2.gz KDCKXIBUEPFKQA-DOTOQJQBSA-N 1 3 275.440 3.086 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000572148134 322322604 /nfs/dbraw/zinc/32/26/04/322322604.db2.gz ZYSYCYXHWPCQNF-QGZVFWFLSA-N 1 3 293.430 3.239 20 0 CGADHO CC1=CC[C@H]([NH2+]CCCN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000572503126 322340742 /nfs/dbraw/zinc/34/07/42/322340742.db2.gz IQTGIGPICSSHCM-ULQDDVLXSA-N 1 3 264.457 3.443 20 0 CGADHO CC(F)(F)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000582975973 329297972 /nfs/dbraw/zinc/29/79/72/329297972.db2.gz SQTNSHFYXVZNBU-UONOGXRCSA-N 1 3 268.351 3.158 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1Oc1cccnc1 ZINC000583024535 329299501 /nfs/dbraw/zinc/29/95/01/329299501.db2.gz BJFFZJKIHSXXTD-CABCVRRESA-N 1 3 299.418 3.398 20 0 CGADHO [NH3+]CCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000576403385 335199655 /nfs/dbraw/zinc/19/96/55/335199655.db2.gz KXQMUARNYOHXAB-UHFFFAOYSA-N 1 3 293.480 3.362 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CCCNC1 ZINC000576861397 335256778 /nfs/dbraw/zinc/25/67/78/335256778.db2.gz FQMQSLGZUUCWQR-JYJNAYRXSA-N 1 3 264.457 3.467 20 0 CGADHO CN(CCC[NH3+])CCCc1c(Cl)cccc1Cl ZINC000577280499 335334596 /nfs/dbraw/zinc/33/45/96/335334596.db2.gz VHFAXQYUVPEIEM-UHFFFAOYSA-N 1 3 275.223 3.207 20 0 CGADHO C[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000577964096 335441308 /nfs/dbraw/zinc/44/13/08/335441308.db2.gz YGPCFOCIPNCXMB-VWNJHIHFSA-N 1 3 258.409 3.170 20 0 CGADHO CCCCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000578193361 335551874 /nfs/dbraw/zinc/55/18/74/335551874.db2.gz UESAREVFRGOIRT-KGLIPLIRSA-N 1 3 264.413 3.081 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)C2CC2)C1 ZINC000579613499 335822816 /nfs/dbraw/zinc/82/28/16/335822816.db2.gz RNJXMJYLUTVFGL-ZACQAIPSSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@H](CC[NH2+]C(C1CC1)C1CC1)N1CCCCC1 ZINC000184497830 335927483 /nfs/dbraw/zinc/92/74/83/335927483.db2.gz WHQBYZFXFYXFSS-CYBMUJFWSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc(CN(Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000383579780 336114440 /nfs/dbraw/zinc/11/44/40/336114440.db2.gz OLLDWAAWVKETGA-UHFFFAOYSA-N 1 3 292.426 3.497 20 0 CGADHO C[C@@H]1CCC[C@H](CC[N@H+](C)[C@@H]2CCCNCC2)C1 ZINC000358339282 533834893 /nfs/dbraw/zinc/83/48/93/533834893.db2.gz XSNOVKVRZZZCKF-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CCC[C@H](CC[N@@H+](C)[C@@H]2CCCNCC2)C1 ZINC000358339282 533834899 /nfs/dbraw/zinc/83/48/99/533834899.db2.gz XSNOVKVRZZZCKF-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](CCC[NH3+])NCc1ccc(F)c(Cl)c1Cl ZINC000415028980 533870208 /nfs/dbraw/zinc/87/02/08/533870208.db2.gz ZQLIHNGAAOUJQM-MRVPVSSYSA-N 1 3 279.186 3.350 20 0 CGADHO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCCN2CCCCC2)C1 ZINC000366002332 534003730 /nfs/dbraw/zinc/00/37/30/534003730.db2.gz UXJHHHFWHFYFFK-SJLPKXTDSA-N 1 3 287.451 3.341 20 0 CGADHO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCCN2CCCCC2)C1 ZINC000366002332 534003738 /nfs/dbraw/zinc/00/37/38/534003738.db2.gz UXJHHHFWHFYFFK-SJLPKXTDSA-N 1 3 287.451 3.341 20 0 CGADHO Cc1ccc(C[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C2CC2)cc1 ZINC000423326594 534130863 /nfs/dbraw/zinc/13/08/63/534130863.db2.gz COUHAUDIEZHIHE-MOPGFXCFSA-N 1 3 286.463 3.295 20 0 CGADHO Cc1cccc(OCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000157427375 524749088 /nfs/dbraw/zinc/74/90/88/524749088.db2.gz RPHZRCGWZVPREX-MSOLQXFVSA-N 1 3 282.387 3.108 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C(F)F)cc2)C1 ZINC000150293134 525022817 /nfs/dbraw/zinc/02/28/17/525022817.db2.gz WJOSPBGXJTWXPN-RISCZKNCSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc(C3CC3)cc2)CC[N@@H+]1C ZINC000157769795 525442772 /nfs/dbraw/zinc/44/27/72/525442772.db2.gz FPMVUUBPVDWNSQ-CXAGYDPISA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@H](NCc2ccc(C3CC3)cc2)CC[N@H+]1C ZINC000157769795 525442786 /nfs/dbraw/zinc/44/27/86/525442786.db2.gz FPMVUUBPVDWNSQ-CXAGYDPISA-N 1 3 258.409 3.136 20 0 CGADHO CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]CC1CNC1 ZINC000423334516 526610698 /nfs/dbraw/zinc/61/06/98/526610698.db2.gz WOFSVLOQAOQKDG-OAHLLOKOSA-N 1 3 252.446 3.181 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(C(F)F)cc1 ZINC000150290945 527192453 /nfs/dbraw/zinc/19/24/53/527192453.db2.gz NYMLMOHNAIECDE-AWEZNQCLSA-N 1 3 268.351 3.328 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528252 527483186 /nfs/dbraw/zinc/48/31/86/527483186.db2.gz YRQNEQHJTKINNI-WNKDZCFJSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426528252 527483187 /nfs/dbraw/zinc/48/31/87/527483187.db2.gz YRQNEQHJTKINNI-WNKDZCFJSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2CCC[C@H]21)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528252 527483191 /nfs/dbraw/zinc/48/31/91/527483191.db2.gz YRQNEQHJTKINNI-WNKDZCFJSA-N 1 3 262.441 3.125 20 0 CGADHO C(CN1CC[C@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426528252 527483193 /nfs/dbraw/zinc/48/31/93/527483193.db2.gz YRQNEQHJTKINNI-WNKDZCFJSA-N 1 3 262.441 3.125 20 0 CGADHO FC(F)(F)CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000059099654 527665831 /nfs/dbraw/zinc/66/58/31/527665831.db2.gz NOLSBHXBBGEMFK-UHFFFAOYSA-N 1 3 286.341 3.193 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000423363291 528165451 /nfs/dbraw/zinc/16/54/51/528165451.db2.gz BRXFJYDIXCVEAG-MPGHIAIKSA-N 1 3 290.451 3.370 20 0 CGADHO CC(C)c1nc([C@H](C)NCCC[C@H]2CCC[NH2+]2)cs1 ZINC000423483019 528313123 /nfs/dbraw/zinc/31/31/23/528313123.db2.gz PNHMBZYTPFXRDN-STQMWFEESA-N 1 3 281.469 3.449 20 0 CGADHO CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423329651 528690487 /nfs/dbraw/zinc/69/04/87/528690487.db2.gz TVQKINZQGZCNGK-SUMWQHHRSA-N 1 3 276.424 3.253 20 0 CGADHO CC(C)N(CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000359213082 528880436 /nfs/dbraw/zinc/88/04/36/528880436.db2.gz GXZLMESQKRSPLS-UHFFFAOYSA-N 1 3 278.415 3.426 20 0 CGADHO CC[C@@H](NC[C@H](C)C[NH3+])c1cccc(Br)c1 ZINC000423300620 529177660 /nfs/dbraw/zinc/17/76/60/529177660.db2.gz SBVGLEFIWNLTQN-ZWNOBZJWSA-N 1 3 285.229 3.085 20 0 CGADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc(Cl)cc1 ZINC000423257926 529178565 /nfs/dbraw/zinc/17/85/65/529178565.db2.gz ASQIDMQYGZGHAK-UONOGXRCSA-N 1 3 254.805 3.364 20 0 CGADHO CCSc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423338067 529246725 /nfs/dbraw/zinc/24/67/25/529246725.db2.gz IASYEOVQHKXVQD-CYBMUJFWSA-N 1 3 276.449 3.369 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000091305986 534947348 /nfs/dbraw/zinc/94/73/48/534947348.db2.gz CBEMGQCTRLMUGO-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000091305986 534947352 /nfs/dbraw/zinc/94/73/52/534947352.db2.gz CBEMGQCTRLMUGO-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091305986 534947359 /nfs/dbraw/zinc/94/73/59/534947359.db2.gz CBEMGQCTRLMUGO-YJBOKZPZSA-N 1 3 272.436 3.459 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000486962161 535527267 /nfs/dbraw/zinc/52/72/67/535527267.db2.gz CWCSCOGGWBGJHT-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO CC[C@@H](NCC1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000126294626 535803211 /nfs/dbraw/zinc/80/32/11/535803211.db2.gz CSUGTXUWAHWMKT-MRXNPFEDSA-N 1 3 282.378 3.347 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343555 536181410 /nfs/dbraw/zinc/18/14/10/536181410.db2.gz QKUYCLSWGIVDRR-IHPCNDPISA-N 1 3 298.474 3.454 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343555 536181413 /nfs/dbraw/zinc/18/14/13/536181413.db2.gz QKUYCLSWGIVDRR-IHPCNDPISA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343555 536181419 /nfs/dbraw/zinc/18/14/19/536181419.db2.gz QKUYCLSWGIVDRR-IHPCNDPISA-N 1 3 298.474 3.454 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343555 536181423 /nfs/dbraw/zinc/18/14/23/536181423.db2.gz QKUYCLSWGIVDRR-IHPCNDPISA-N 1 3 298.474 3.454 20 0 CGADHO COc1ccc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000093495844 536842961 /nfs/dbraw/zinc/84/29/61/536842961.db2.gz RZFCBDSJDGTRAP-NVXWUHKLSA-N 1 3 290.451 3.138 20 0 CGADHO C/C(=C/c1ccccc1)CNC[C@H](C)C[NH+]1CCCC1 ZINC000726607747 572588597 /nfs/dbraw/zinc/58/85/97/572588597.db2.gz YYRWUHHFABUDIX-WBILKINKSA-N 1 3 272.436 3.411 20 0 CGADHO CC1(C)C[C@@H](N[C@H]2CCCc3occc32)C[C@@H]([NH3+])C1 ZINC000925606554 619082995 /nfs/dbraw/zinc/08/29/95/619082995.db2.gz ODWFGYIWIRFTJB-DYEKYZERSA-N 1 3 262.397 3.153 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC000893324602 619095534 /nfs/dbraw/zinc/09/55/34/619095534.db2.gz XEKPBBUEGRLLPQ-UHFFFAOYSA-N 1 3 289.467 3.244 20 0 CGADHO Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[C@@H](N)C23CCC3)cc1 ZINC000925642974 619102804 /nfs/dbraw/zinc/10/28/04/619102804.db2.gz USJLOJULZJOVHL-IMJJTQAJSA-N 1 3 290.476 3.335 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@H]2CCCCC2(F)F)[C@@H]2CCCN[C@@H]21 ZINC000925680873 619129137 /nfs/dbraw/zinc/12/91/37/619129137.db2.gz RJKFEXUYFREDQD-YIYPIFLZSA-N 1 3 286.410 3.178 20 0 CGADHO CC1(C)[C@H](NC[C@H]2CCCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925680873 619129138 /nfs/dbraw/zinc/12/91/38/619129138.db2.gz RJKFEXUYFREDQD-YIYPIFLZSA-N 1 3 286.410 3.178 20 0 CGADHO C[C@@H]([NH2+]C(C)(C)CNC[C@H]1CCC=CO1)c1ccccc1 ZINC000194439777 619140186 /nfs/dbraw/zinc/14/01/86/619140186.db2.gz HIYXEVDEJUZVCD-NVXWUHKLSA-N 1 3 288.435 3.398 20 0 CGADHO CSCC1(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925707076 619155678 /nfs/dbraw/zinc/15/56/78/619155678.db2.gz OLVRAJGMLLAHJB-HZPDHXFCSA-N 1 3 296.524 3.278 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@@H]1C[C@H]1C1CCC1 ZINC000925711966 619157854 /nfs/dbraw/zinc/15/78/54/619157854.db2.gz YHPPTLKQKJFMEV-WNRNVDISSA-N 1 3 276.468 3.181 20 0 CGADHO COc1cc(C)c([C@H](C)NCCC(C)(C)[NH3+])cc1C ZINC000925736776 619210536 /nfs/dbraw/zinc/21/05/36/619210536.db2.gz CBUZGTUTBLTNHA-ZDUSSCGKSA-N 1 3 264.413 3.090 20 0 CGADHO Cc1ccc(OC[C@H](C)[NH2+][C@H]2C[C@H](N)c3ccccc32)cc1 ZINC000317184669 619244702 /nfs/dbraw/zinc/24/47/02/619244702.db2.gz WHDUOVUIZRCMKA-JVPBZIDWSA-N 1 3 296.414 3.497 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261652194 619299030 /nfs/dbraw/zinc/29/90/30/619299030.db2.gz BCCLBRCPVBKJSM-AAEUAGOBSA-N 1 3 286.341 3.183 20 0 CGADHO CSc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)o1 ZINC000895440016 619829336 /nfs/dbraw/zinc/82/93/36/619829336.db2.gz LPPGMFHKDQBITM-UHFFFAOYSA-N 1 3 294.464 3.309 20 0 CGADHO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000925205479 620229453 /nfs/dbraw/zinc/22/94/53/620229453.db2.gz IYPQQZMDQQQVIO-HWWDLCQESA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000925212581 620230958 /nfs/dbraw/zinc/23/09/58/620230958.db2.gz JOBONFPMJCMJKM-ZWKOTPCHSA-N 1 3 296.499 3.028 20 0 CGADHO CC1(C)C[NH2+]CC[C@@H](NCCOc2ccccc2Cl)C1 ZINC000902361865 621289659 /nfs/dbraw/zinc/28/96/59/621289659.db2.gz MVQZQWLFJOSYIB-CYBMUJFWSA-N 1 3 296.842 3.087 20 0 CGADHO Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466818 621338451 /nfs/dbraw/zinc/33/84/51/621338451.db2.gz NGABANCBSPAUCR-COEWEUQVSA-N 1 3 290.838 3.459 20 0 CGADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902469377 621340726 /nfs/dbraw/zinc/34/07/26/621340726.db2.gz PUEJXSWZKAASND-URLAMEQQSA-N 1 3 278.827 3.315 20 0 CGADHO C[C@H](Cc1cccs1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903061832 621550088 /nfs/dbraw/zinc/55/00/88/621550088.db2.gz KWOBUWVOZGWKBO-WPXLMEDKSA-N 1 3 290.476 3.427 20 0 CGADHO C[C@H](Cc1cccs1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903061832 621550096 /nfs/dbraw/zinc/55/00/96/621550096.db2.gz KWOBUWVOZGWKBO-WPXLMEDKSA-N 1 3 290.476 3.427 20 0 CGADHO CC1(C)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(F)F ZINC000903203340 621626443 /nfs/dbraw/zinc/62/64/43/621626443.db2.gz KLCCQLYPTXJBSW-VWPFFFCUSA-N 1 3 284.394 3.025 20 0 CGADHO CC1(C)[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1(F)F ZINC000903203340 621626445 /nfs/dbraw/zinc/62/64/45/621626445.db2.gz KLCCQLYPTXJBSW-VWPFFFCUSA-N 1 3 284.394 3.025 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccnc1 ZINC000903189706 621628299 /nfs/dbraw/zinc/62/82/99/621628299.db2.gz GWTAZDJDLRWRMN-ZNXRZULTSA-N 1 3 299.462 3.107 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccnc1 ZINC000903189706 621628302 /nfs/dbraw/zinc/62/83/02/621628302.db2.gz GWTAZDJDLRWRMN-ZNXRZULTSA-N 1 3 299.462 3.107 20 0 CGADHO COC(C)(C)[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000903329661 621703626 /nfs/dbraw/zinc/70/36/26/621703626.db2.gz CLNXBURMKVVGRL-HLLBOEOZSA-N 1 3 296.499 3.433 20 0 CGADHO COC(C)(C)[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000903329661 621703630 /nfs/dbraw/zinc/70/36/30/621703630.db2.gz CLNXBURMKVVGRL-HLLBOEOZSA-N 1 3 296.499 3.433 20 0 CGADHO C[NH+](C)CC[C@@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cccnc1 ZINC000903378218 621721382 /nfs/dbraw/zinc/72/13/82/621721382.db2.gz PHBJHUQXDWGBTB-CYGHRXIMSA-N 1 3 287.451 3.243 20 0 CGADHO c1cc([C@@H]2CCCN2C[C@H]2CCCC[NH2+]C2)cs1 ZINC000903724893 621797254 /nfs/dbraw/zinc/79/72/54/621797254.db2.gz RZODRGPPKINFMF-ZFWWWQNUSA-N 1 3 264.438 3.275 20 0 CGADHO CCCN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CCc2ccccc21 ZINC000903884356 621827041 /nfs/dbraw/zinc/82/70/41/621827041.db2.gz XRYPJUAEMMAWSR-DZGCQCFKSA-N 1 3 282.378 3.368 20 0 CGADHO [NH3+][C@H](CNCCc1csc2ccccc12)CC(F)F ZINC000903924717 621833980 /nfs/dbraw/zinc/83/39/80/621833980.db2.gz HXYCMZLYSRPKDK-NSHDSACASA-N 1 3 284.375 3.016 20 0 CGADHO CCC1([NH3+])CCN(C[C@H](C)c2ccc(F)cc2)CC1 ZINC000903946105 621839674 /nfs/dbraw/zinc/83/96/74/621839674.db2.gz KASZNQQFUBYLMA-ZDUSSCGKSA-N 1 3 264.388 3.133 20 0 CGADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000903955171 621843273 /nfs/dbraw/zinc/84/32/73/621843273.db2.gz LYFGGZDETIEEEJ-MRXNPFEDSA-N 1 3 290.357 3.174 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904315472 621904372 /nfs/dbraw/zinc/90/43/72/621904372.db2.gz AZSVBWUUIHOPDA-SJLPKXTDSA-N 1 3 272.436 3.174 20 0 CGADHO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904315472 621904378 /nfs/dbraw/zinc/90/43/78/621904378.db2.gz AZSVBWUUIHOPDA-SJLPKXTDSA-N 1 3 272.436 3.174 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)CN1CCCC1 ZINC000165301093 622858813 /nfs/dbraw/zinc/85/88/13/622858813.db2.gz KZSXQEWSFPFLJN-KGLIPLIRSA-N 1 3 272.502 3.228 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)CN1CCCC1 ZINC000165300990 622858883 /nfs/dbraw/zinc/85/88/83/622858883.db2.gz KZSXQEWSFPFLJN-KBPBESRZSA-N 1 3 272.502 3.228 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000070074223 624947316 /nfs/dbraw/zinc/94/73/16/624947316.db2.gz YLARAFHCNUKWMW-GFCCVEGCSA-N 1 3 286.341 3.266 20 0 CGADHO Fc1ccc2c(c1)CCN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923372741 626149721 /nfs/dbraw/zinc/14/97/21/626149721.db2.gz JLDIWMPFVVOARM-CNUNBNKRSA-N 1 3 288.410 3.105 20 0 CGADHO CCCCC[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000765406747 627248430 /nfs/dbraw/zinc/24/84/30/627248430.db2.gz UPFUFUFYUOYCHK-ULQDDVLXSA-N 1 3 284.488 3.434 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000765469765 627251566 /nfs/dbraw/zinc/25/15/66/627251566.db2.gz VBOGWXHCXZXATG-ZDUSSCGKSA-N 1 3 297.402 3.140 20 0 CGADHO COc1ccc2c(c1)nccc2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000765469765 627251571 /nfs/dbraw/zinc/25/15/71/627251571.db2.gz VBOGWXHCXZXATG-ZDUSSCGKSA-N 1 3 297.402 3.140 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000765467187 627251717 /nfs/dbraw/zinc/25/17/17/627251717.db2.gz DDIZOVQEGGLZAI-KGLIPLIRSA-N 1 3 297.402 3.282 20 0 CGADHO COc1ccc2c(c1)nccc2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000765467187 627251720 /nfs/dbraw/zinc/25/17/20/627251720.db2.gz DDIZOVQEGGLZAI-KGLIPLIRSA-N 1 3 297.402 3.282 20 0 CGADHO C[C@@H](C1CC1)[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000782181821 628620197 /nfs/dbraw/zinc/62/01/97/628620197.db2.gz YNNHVSQQZNAMKX-JKSUJKDBSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@@H](C1CC1)[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000782181821 628620200 /nfs/dbraw/zinc/62/02/00/628620200.db2.gz YNNHVSQQZNAMKX-JKSUJKDBSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2ccc(Cl)cc21 ZINC000863549102 629605652 /nfs/dbraw/zinc/60/56/52/629605652.db2.gz ZSYGZALAHSXMRA-IMSIIYSGSA-N 1 3 252.789 3.043 20 0 CGADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCc2ccccc21 ZINC000799174694 630152426 /nfs/dbraw/zinc/15/24/26/630152426.db2.gz REHUHMRCGUPLHD-KRWDZBQOSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@H+](CCCN1CCCC1)C[C@@H]1CCc2ccccc21 ZINC000799174694 630152427 /nfs/dbraw/zinc/15/24/27/630152427.db2.gz REHUHMRCGUPLHD-KRWDZBQOSA-N 1 3 272.436 3.134 20 0 CGADHO C[N@@H+](CCCN1CCCC1)C[C@@H]1CCc2ccccc21 ZINC000799174694 630152431 /nfs/dbraw/zinc/15/24/31/630152431.db2.gz REHUHMRCGUPLHD-KRWDZBQOSA-N 1 3 272.436 3.134 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933201 630369953 /nfs/dbraw/zinc/36/99/53/630369953.db2.gz KSGBEOKFHSGCSL-KBPBESRZSA-N 1 3 272.502 3.180 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCSC(C)(C)C)[C@@H](C)C1 ZINC000801933201 630369954 /nfs/dbraw/zinc/36/99/54/630369954.db2.gz KSGBEOKFHSGCSL-KBPBESRZSA-N 1 3 272.502 3.180 20 0 CGADHO CCc1noc(C)c1[C@@H](C)NCCCCC[NH+]1CCCC1 ZINC000815647851 631812801 /nfs/dbraw/zinc/81/28/01/631812801.db2.gz WXSVWDOKDKAWKY-CQSZACIVSA-N 1 3 293.455 3.462 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCSC(C)(C)C ZINC000817907701 632233223 /nfs/dbraw/zinc/23/32/23/632233223.db2.gz HMWOLLPGNFJDJP-LLVKDONJSA-N 1 3 281.469 3.031 20 0 CGADHO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000817908111 632234160 /nfs/dbraw/zinc/23/41/60/632234160.db2.gz OOERQVAIYMFRPP-CQSZACIVSA-N 1 3 283.419 3.316 20 0 CGADHO CCc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc1 ZINC000817929555 632236448 /nfs/dbraw/zinc/23/64/48/632236448.db2.gz PTTRIPVADKABKT-CEXWTWQISA-N 1 3 296.414 3.017 20 0 CGADHO COc1ccccc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817948105 632244758 /nfs/dbraw/zinc/24/47/58/632244758.db2.gz VPQXWJIFMLWNTL-CQSZACIVSA-N 1 3 284.403 3.047 20 0 CGADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817983398 632273220 /nfs/dbraw/zinc/27/32/20/632273220.db2.gz BWHLNXPUBLNFES-SQWLQELKSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[NH+]1CCC(CCN[C@@H](C)c2ccc(F)cn2)CC1 ZINC000866467843 633146346 /nfs/dbraw/zinc/14/63/46/633146346.db2.gz RSGJTWDHIYPAEG-AWEZNQCLSA-N 1 3 293.430 3.382 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584188 633203643 /nfs/dbraw/zinc/20/36/43/633203643.db2.gz NKAMVIPLOOHGCZ-UXLLHSPISA-N 1 3 258.409 3.082 20 0 CGADHO Cc1ccccc1[C@H](C)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866584188 633203646 /nfs/dbraw/zinc/20/36/46/633203646.db2.gz NKAMVIPLOOHGCZ-UXLLHSPISA-N 1 3 258.409 3.082 20 0 CGADHO CC[C@H](CCC(F)(F)F)[NH2+]CCCN(C)C(C)C ZINC000872021248 633942204 /nfs/dbraw/zinc/94/22/04/633942204.db2.gz PLWJYZKTIPXUJY-GFCCVEGCSA-N 1 3 268.367 3.427 20 0 CGADHO CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000872087297 634013556 /nfs/dbraw/zinc/01/35/56/634013556.db2.gz IEQBEYMEYDLUJH-STQMWFEESA-N 1 3 280.378 3.429 20 0 CGADHO CC(C)[N@@H+]1CC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873029868 634234218 /nfs/dbraw/zinc/23/42/18/634234218.db2.gz UMCTWUZOYRUMEE-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO CC(C)[N@H+]1CC[C@@H](CNCc2cccc3ncccc23)C1 ZINC000873029868 634234224 /nfs/dbraw/zinc/23/42/24/634234224.db2.gz UMCTWUZOYRUMEE-HNNXBMFYSA-N 1 3 283.419 3.055 20 0 CGADHO CCc1nc(CN[C@@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232260 634294703 /nfs/dbraw/zinc/29/47/03/634294703.db2.gz DFAADJLJXJVKJC-CQSZACIVSA-N 1 3 293.480 3.108 20 0 CGADHO C[C@@H](CCCC(F)(F)F)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234150 634295741 /nfs/dbraw/zinc/29/57/41/634295741.db2.gz CCGMRIISORWRMS-RYUDHWBXSA-N 1 3 280.378 3.475 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000873250380 634301576 /nfs/dbraw/zinc/30/15/76/634301576.db2.gz FMLAXQKFSDVVKH-SNVBAGLBSA-N 1 3 285.382 3.181 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC[C@@H]1C=CCC1 ZINC000873280862 634316183 /nfs/dbraw/zinc/31/61/83/634316183.db2.gz CWWQGXVNRWQAKY-UKRRQHHQSA-N 1 3 273.424 3.246 20 0 CGADHO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2N)s1 ZINC000873282578 634316769 /nfs/dbraw/zinc/31/67/69/634316769.db2.gz VNCHGBWEHZATJZ-VXGBXAGGSA-N 1 3 252.427 3.015 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)C1 ZINC000876942907 634933276 /nfs/dbraw/zinc/93/32/76/634933276.db2.gz ILOXLVJTGYMWJW-BZUAXINKSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000866 635895621 /nfs/dbraw/zinc/89/56/21/635895621.db2.gz ORKRMNGRBDXGJR-CHWSQXEVSA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000866 635895623 /nfs/dbraw/zinc/89/56/23/635895623.db2.gz ORKRMNGRBDXGJR-CHWSQXEVSA-N 1 3 278.362 3.135 20 0 CGADHO C[NH2+]Cc1ccccc1CNCc1cc(C)c(OC)c(C)c1 ZINC000844904777 635981270 /nfs/dbraw/zinc/98/12/70/635981270.db2.gz QIINUDNHOUBMPS-UHFFFAOYSA-N 1 3 298.430 3.321 20 0 CGADHO CN(CCCC[NH+]1CCCCC1)C[C@@H]1CC1(Cl)Cl ZINC000880516262 636013488 /nfs/dbraw/zinc/01/34/88/636013488.db2.gz HLTOQKIXKXFBET-ZDUSSCGKSA-N 1 3 293.282 3.378 20 0 CGADHO CC1(CNc2ccnc3ccccc32)CC[NH2+]CC1 ZINC000129486551 636283011 /nfs/dbraw/zinc/28/30/11/636283011.db2.gz VVLXHAJMXLHNGW-UHFFFAOYSA-N 1 3 255.365 3.036 20 0 CGADHO CCCCCCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000849064460 636737105 /nfs/dbraw/zinc/73/71/05/636737105.db2.gz CEAOLTIYJXWILM-DOTOQJQBSA-N 1 3 296.503 3.191 20 0 CGADHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883428031 636752355 /nfs/dbraw/zinc/75/23/55/636752355.db2.gz JWKKTANCHMXXHH-KSZLIROESA-N 1 3 288.435 3.110 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000883439395 636756741 /nfs/dbraw/zinc/75/67/41/636756741.db2.gz QAGQJNHSMBCETG-YOEHRIQHSA-N 1 3 282.472 3.031 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000883439395 636756745 /nfs/dbraw/zinc/75/67/45/636756745.db2.gz QAGQJNHSMBCETG-YOEHRIQHSA-N 1 3 282.472 3.031 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000885938019 637321477 /nfs/dbraw/zinc/32/14/77/637321477.db2.gz PGIVWYUDSBXYDT-IAGOWNOFSA-N 1 3 294.483 3.190 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886011005 637358967 /nfs/dbraw/zinc/35/89/67/637358967.db2.gz UORPPKNVZXUAGI-YESZJQIVSA-N 1 3 294.483 3.331 20 0 CGADHO C(CN1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886016924 637365608 /nfs/dbraw/zinc/36/56/08/637365608.db2.gz OQXKEPDHUQFBLI-SQNIBIBYSA-N 1 3 276.468 3.373 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(CF)cc1)C2 ZINC000852104661 637597851 /nfs/dbraw/zinc/59/78/51/637597851.db2.gz DTPDGGNGPDQMHK-QGZVFWFLSA-N 1 3 276.399 3.074 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(CF)cc1)C2 ZINC000852104661 637597864 /nfs/dbraw/zinc/59/78/64/637597864.db2.gz DTPDGGNGPDQMHK-QGZVFWFLSA-N 1 3 276.399 3.074 20 0 CGADHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc2c(c1)CCCO2 ZINC000854224366 638025557 /nfs/dbraw/zinc/02/55/57/638025557.db2.gz VOZOUVNAPXCSSI-MRXNPFEDSA-N 1 3 288.435 3.324 20 0 CGADHO CC(C)CCN1CCC([NH2+]CCCOCC(C)C)CC1 ZINC000924581669 638368252 /nfs/dbraw/zinc/36/82/52/638368252.db2.gz FESNVDDXKZTKDG-UHFFFAOYSA-N 1 3 284.488 3.149 20 0 CGADHO [NH3+][C@@H]1C[C@@H](NCC[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000857254043 638483241 /nfs/dbraw/zinc/48/32/41/638483241.db2.gz WOCKKUVOFDVZHH-OASPWFOLSA-N 1 3 285.218 3.305 20 0 CGADHO CCC1(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000925499096 638511829 /nfs/dbraw/zinc/51/18/29/638511829.db2.gz VASCDYAKVNFQRQ-UHFFFAOYSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC2(CO)CCCCC2)CC1 ZINC000925507761 638514067 /nfs/dbraw/zinc/51/40/67/638514067.db2.gz ZZGXZJZYPBGFPU-UHFFFAOYSA-N 1 3 296.499 3.029 20 0 CGADHO CSCCCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925646098 638557027 /nfs/dbraw/zinc/55/70/27/638557027.db2.gz UILWHXLTVAPAQE-HZPDHXFCSA-N 1 3 284.513 3.278 20 0 CGADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H]2CCCN[C@@H]21 ZINC000925662600 638561140 /nfs/dbraw/zinc/56/11/40/638561140.db2.gz JTEYJYOYUPHAGD-YIYPIFLZSA-N 1 3 286.410 3.178 20 0 CGADHO Cc1cc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)ccc1Cl ZINC000925674875 638566041 /nfs/dbraw/zinc/56/60/41/638566041.db2.gz DHNCUWZIBZZDRV-HUUCEWRRSA-N 1 3 278.827 3.050 20 0 CGADHO Cc1cc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)ccc1Cl ZINC000925674876 638566190 /nfs/dbraw/zinc/56/61/90/638566190.db2.gz DHNCUWZIBZZDRV-LSDHHAIUSA-N 1 3 278.827 3.050 20 0 CGADHO CC1(C)[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1(F)F ZINC000925709985 638575499 /nfs/dbraw/zinc/57/54/99/638575499.db2.gz XFILDFOOZGMOSU-MJBXVCDLSA-N 1 3 286.410 3.036 20 0 CGADHO FC1CCC(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925713824 638576568 /nfs/dbraw/zinc/57/65/68/638576568.db2.gz UTSPTIQTFUQXGU-OKEQZYBDSA-N 1 3 282.447 3.273 20 0 CGADHO CCC[C@H](NCCC(C)(C)[NH3+])c1ccc(OC)cc1 ZINC000925740637 638591973 /nfs/dbraw/zinc/59/19/73/638591973.db2.gz JCVMYBFPICPDPW-HNNXBMFYSA-N 1 3 264.413 3.253 20 0 CGADHO CCC1(CC)[C@H](N2CCC([NH3+])(CC)CC2)[C@H](C)[C@@H]1OC ZINC000925755575 638597892 /nfs/dbraw/zinc/59/78/92/638597892.db2.gz GINPBPMAHWPJGL-ZNMIVQPWSA-N 1 3 282.472 3.029 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925775538 638608434 /nfs/dbraw/zinc/60/84/34/638608434.db2.gz GZDIHHNSFGFKBS-NWDGAFQWSA-N 1 3 286.341 3.030 20 0 CGADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C(F)F)cc1 ZINC000926185849 638732843 /nfs/dbraw/zinc/73/28/43/638732843.db2.gz YWGYIVCWIPWFEK-YIONKMFJSA-N 1 3 280.362 3.054 20 0 CGADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(C(F)F)cc1 ZINC000926185849 638732847 /nfs/dbraw/zinc/73/28/47/638732847.db2.gz YWGYIVCWIPWFEK-YIONKMFJSA-N 1 3 280.362 3.054 20 0 CGADHO CC[C@H](COCC1CC1)NC1CC[NH+](CCC(C)C)CC1 ZINC000926683434 638798091 /nfs/dbraw/zinc/79/80/91/638798091.db2.gz MZXVOSACQYDEQA-QGZVFWFLSA-N 1 3 296.499 3.292 20 0 CGADHO CC(C)(C)OC[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000932167488 639284158 /nfs/dbraw/zinc/28/41/58/639284158.db2.gz VLRRYEGZAMTLOD-MRXNPFEDSA-N 1 3 282.472 3.142 20 0 CGADHO CCCN1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000159322347 640040139 /nfs/dbraw/zinc/04/01/39/640040139.db2.gz SAOCKDTZDQDCGM-UHFFFAOYSA-N 1 3 287.451 3.009 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000251449714 640826083 /nfs/dbraw/zinc/82/60/83/640826083.db2.gz CKURFCNGIZJJKF-KZNAEPCWSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000251693880 640830333 /nfs/dbraw/zinc/83/03/33/640830333.db2.gz LTXXSOFHCYCWGA-JKOKRWQUSA-N 1 3 286.341 3.483 20 0 CGADHO c1cc2c[nH+]c(NCC3CN(Cc4ccccc4)C3)cc2[nH]1 ZINC001156399892 805683432 /nfs/dbraw/zinc/68/34/32/805683432.db2.gz BJFPESQSSJFIQU-UHFFFAOYSA-N 1 3 292.386 3.107 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC001254507574 806428319 /nfs/dbraw/zinc/42/83/19/806428319.db2.gz CJOPVQDBJKSPGC-CXAGYDPISA-N 1 3 276.399 3.277 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@@H]2CCCc3c(F)cccc32)CC1 ZINC001254507574 806428324 /nfs/dbraw/zinc/42/83/24/806428324.db2.gz CJOPVQDBJKSPGC-CXAGYDPISA-N 1 3 276.399 3.277 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509998 806430920 /nfs/dbraw/zinc/43/09/20/806430920.db2.gz LAPWZYKKMSRIGN-IAGOWNOFSA-N 1 3 276.399 3.351 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254509998 806430925 /nfs/dbraw/zinc/43/09/25/806430925.db2.gz LAPWZYKKMSRIGN-IAGOWNOFSA-N 1 3 276.399 3.351 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC(c3ccccc3F)CC2)CC1 ZINC001254523605 806440759 /nfs/dbraw/zinc/44/07/59/806440759.db2.gz PWKBKWKXFTWLRD-INIZCTEOSA-N 1 3 290.426 3.489 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC(c3ccccc3F)CC2)CC1 ZINC001254523605 806440763 /nfs/dbraw/zinc/44/07/63/806440763.db2.gz PWKBKWKXFTWLRD-INIZCTEOSA-N 1 3 290.426 3.489 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CCC[N@H+](C)CC2)cc1C ZINC001254531892 806445378 /nfs/dbraw/zinc/44/53/78/806445378.db2.gz MQNROZBMDBOHOZ-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(CN(C)[C@@H]2CCC[N@@H+](C)CC2)cc1C ZINC001254531892 806445381 /nfs/dbraw/zinc/44/53/81/806445381.db2.gz MQNROZBMDBOHOZ-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO [NH3+]C1(CC2CCC2)CCN(C2Cc3ccccc3C2)CC1 ZINC001255015805 806526277 /nfs/dbraw/zinc/52/62/77/806526277.db2.gz IWSCOUOLATZEQH-UHFFFAOYSA-N 1 3 284.447 3.137 20 0 CGADHO CC[C@@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001257432128 807153241 /nfs/dbraw/zinc/15/32/41/807153241.db2.gz RHRAFYFNFZXBDB-CQSZACIVSA-N 1 3 252.446 3.419 20 0 CGADHO CN(C)CCC[NH+](CCCN(C)C)C1CCC(C)(C)CC1 ZINC001255306925 806602915 /nfs/dbraw/zinc/60/29/15/806602915.db2.gz SVICLTKDRSGEAB-UHFFFAOYSA-N 1 3 297.531 3.161 20 0 CGADHO COC1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001255451784 806642120 /nfs/dbraw/zinc/64/21/20/806642120.db2.gz VODOIULDEPADGX-ZLPCBKJTSA-N 1 3 290.451 3.041 20 0 CGADHO COC1CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001255451784 806642125 /nfs/dbraw/zinc/64/21/25/806642125.db2.gz VODOIULDEPADGX-ZLPCBKJTSA-N 1 3 290.451 3.041 20 0 CGADHO C[N@@H+]1CCC[C@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001255489538 806650605 /nfs/dbraw/zinc/65/06/05/806650605.db2.gz OWXMOLHGDUNKID-HOCLYGCPSA-N 1 3 298.434 3.118 20 0 CGADHO C[N@H+]1CCC[C@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001255489538 806650611 /nfs/dbraw/zinc/65/06/11/806650611.db2.gz OWXMOLHGDUNKID-HOCLYGCPSA-N 1 3 298.434 3.118 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC001255533231 806665813 /nfs/dbraw/zinc/66/58/13/806665813.db2.gz XQBKZVCSIZWMGV-DOTOQJQBSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC001255533231 806665819 /nfs/dbraw/zinc/66/58/19/806665819.db2.gz XQBKZVCSIZWMGV-DOTOQJQBSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@H](CCN(C)C)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083453922 798939401 /nfs/dbraw/zinc/93/94/01/798939401.db2.gz WNNUOAVQSVMWRN-LLVKDONJSA-N 1 3 295.477 3.301 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690345 806707033 /nfs/dbraw/zinc/70/70/33/806707033.db2.gz UPFJAJQVQBPJNT-RYUDHWBXSA-N 1 3 266.351 3.167 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255690345 806707039 /nfs/dbraw/zinc/70/70/39/806707039.db2.gz UPFJAJQVQBPJNT-RYUDHWBXSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NCC[C@@H]1CCC[N@@H+]1C ZINC001255727456 806722878 /nfs/dbraw/zinc/72/28/78/806722878.db2.gz DZGQQDBIXQGTSZ-ZFWWWQNUSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NCC[C@@H]1CCC[N@H+]1C ZINC001255727456 806722882 /nfs/dbraw/zinc/72/28/82/806722882.db2.gz DZGQQDBIXQGTSZ-ZFWWWQNUSA-N 1 3 296.455 3.380 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)[NH2+]CC[C@@H]1CCCN1C ZINC001255727456 806722886 /nfs/dbraw/zinc/72/28/86/806722886.db2.gz DZGQQDBIXQGTSZ-ZFWWWQNUSA-N 1 3 296.455 3.380 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001255772964 806744979 /nfs/dbraw/zinc/74/49/79/806744979.db2.gz RFAFXEJGTPSGNP-INIZCTEOSA-N 1 3 262.441 3.248 20 0 CGADHO Cc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC001255772728 806745191 /nfs/dbraw/zinc/74/51/91/806745191.db2.gz PYYGXUAOEBHYQP-MRXNPFEDSA-N 1 3 260.425 3.002 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000401475528 799555727 /nfs/dbraw/zinc/55/57/27/799555727.db2.gz LGLCJHDOXMGOFE-ARFHVFGLSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@@H]1CCCN(Cc2cncc3ccccc32)[C@@H]1CC[NH3+] ZINC000404293541 799576106 /nfs/dbraw/zinc/57/61/06/799576106.db2.gz WFCKXLREELQQFO-RDTXWAMCSA-N 1 3 283.419 3.184 20 0 CGADHO CCCCN(C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001255855478 806770339 /nfs/dbraw/zinc/77/03/39/806770339.db2.gz CGSFSQXGQYRAAV-OAHLLOKOSA-N 1 3 280.431 3.468 20 0 CGADHO CCCCN(C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001255855477 806770748 /nfs/dbraw/zinc/77/07/48/806770748.db2.gz CGSFSQXGQYRAAV-HNNXBMFYSA-N 1 3 280.431 3.468 20 0 CGADHO CCC[N@@H+](Cc1cc2c(s1)CCNC2)CC1CC1 ZINC000687961846 799740957 /nfs/dbraw/zinc/74/09/57/799740957.db2.gz JGYFSRNXDATPFJ-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CCC[N@H+](Cc1cc2c(s1)CCNC2)CC1CC1 ZINC000687961846 799740960 /nfs/dbraw/zinc/74/09/60/799740960.db2.gz JGYFSRNXDATPFJ-UHFFFAOYSA-N 1 3 264.438 3.016 20 0 CGADHO CC(C)(C[NH2+][C@H]1C[C@H](N)c2ccccc21)C(C)(F)F ZINC000696597157 799841791 /nfs/dbraw/zinc/84/17/91/799841791.db2.gz JLDYSWVXJPBHNK-STQMWFEESA-N 1 3 268.351 3.402 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000700827423 799881599 /nfs/dbraw/zinc/88/15/99/799881599.db2.gz WFDXMXAVEPDDRC-OWCLPIDISA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCCc1ccccc1F ZINC001255947551 806793113 /nfs/dbraw/zinc/79/31/13/806793113.db2.gz SDUVNJXMWGVOTQ-OAHLLOKOSA-N 1 3 280.431 3.468 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001255948468 806794058 /nfs/dbraw/zinc/79/40/58/806794058.db2.gz LQFSDWYELQBDBP-HOTGVXAUSA-N 1 3 292.467 3.423 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709450342 800009554 /nfs/dbraw/zinc/00/95/54/800009554.db2.gz WAIWQTQOSODWBS-YXQSOJMXSA-N 1 3 278.827 3.144 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001255953829 806796746 /nfs/dbraw/zinc/79/67/46/806796746.db2.gz VRVDQEZCKNUNIS-GDBMZVCRSA-N 1 3 292.492 3.413 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001255953833 806796815 /nfs/dbraw/zinc/79/68/15/806796815.db2.gz VRVDQEZCKNUNIS-ZBFHGGJFSA-N 1 3 292.492 3.413 20 0 CGADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)c1cc(C)ccn1 ZINC001255952594 806796956 /nfs/dbraw/zinc/79/69/56/806796956.db2.gz FSZQDUDHQBQUOJ-MRXNPFEDSA-N 1 3 291.483 3.378 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+](C1CCC1)C1CCOCC1 ZINC001255969372 806802134 /nfs/dbraw/zinc/80/21/34/806802134.db2.gz YYPQSTZJPHWDCB-OAHLLOKOSA-N 1 3 282.472 3.140 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+](C1CCC1)C1CCOCC1 ZINC001255969372 806802145 /nfs/dbraw/zinc/80/21/45/806802145.db2.gz YYPQSTZJPHWDCB-OAHLLOKOSA-N 1 3 282.472 3.140 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCC[C@@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000712738679 800098865 /nfs/dbraw/zinc/09/88/65/800098865.db2.gz BTFLEACBAFEJSI-ISWURRPUSA-N 1 3 256.393 3.157 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)CCN1 ZINC000714272153 800117582 /nfs/dbraw/zinc/11/75/82/800117582.db2.gz GNUQZFXTXUICDN-DGADGQDISA-N 1 3 250.430 3.075 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CCN1 ZINC000714272156 800118081 /nfs/dbraw/zinc/11/80/81/800118081.db2.gz GNUQZFXTXUICDN-OXGONZEZSA-N 1 3 250.430 3.075 20 0 CGADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)CCN1 ZINC000714270796 800118154 /nfs/dbraw/zinc/11/81/54/800118154.db2.gz ZXZHRHJWYNHPIU-KLHDSHLOSA-N 1 3 264.457 3.466 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000715504147 800136351 /nfs/dbraw/zinc/13/63/51/800136351.db2.gz BSGCFSOZKWLWFT-QLFBSQMISA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716712543 800179375 /nfs/dbraw/zinc/17/93/75/800179375.db2.gz MKFQNGJYXLSCTL-BZSNNMDCSA-N 1 3 272.436 3.429 20 0 CGADHO C[C@@H]([NH2+]CCCN(C)C)c1ccc(C(F)(F)F)s1 ZINC000717904332 800207393 /nfs/dbraw/zinc/20/73/93/800207393.db2.gz FPTFJKLNYUMMMQ-SECBINFHSA-N 1 3 280.359 3.369 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000821991281 800458991 /nfs/dbraw/zinc/45/89/91/800458991.db2.gz SNUKILOEOJJOHR-YZXGNKEDSA-N 1 3 276.468 3.321 20 0 CGADHO C[C@H]1c2c(F)cccc2CCN1CC1CC[NH+](C)CC1 ZINC000892048048 800565819 /nfs/dbraw/zinc/56/58/19/800565819.db2.gz GNPNUOXTBYKZNB-ZDUSSCGKSA-N 1 3 276.399 3.087 20 0 CGADHO CC(C)CC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001256358102 806865281 /nfs/dbraw/zinc/86/52/81/806865281.db2.gz CFBFSMYGDFLYGW-MRXNPFEDSA-N 1 3 296.499 3.292 20 0 CGADHO CCOC1CCC([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001256429645 806895782 /nfs/dbraw/zinc/89/57/82/806895782.db2.gz PYOZCDVBYNSKHZ-UHFFFAOYSA-N 1 3 282.472 3.314 20 0 CGADHO Cc1cc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1OC(C)C ZINC001206809952 813442898 /nfs/dbraw/zinc/44/28/98/813442898.db2.gz MPQBZTSJGHPSJN-DOTOQJQBSA-N 1 3 290.451 3.341 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136972807 803664729 /nfs/dbraw/zinc/66/47/29/803664729.db2.gz ADHHECNASGJZRM-UHFFFAOYSA-N 1 3 285.435 3.392 20 0 CGADHO CN(C)Cc1cccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)n1 ZINC001245347430 803706972 /nfs/dbraw/zinc/70/69/72/803706972.db2.gz BJYKVTNYKMEZBM-QGZVFWFLSA-N 1 3 281.403 3.235 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246071751 804110100 /nfs/dbraw/zinc/11/01/00/804110100.db2.gz DNDXJZBAXFYNMV-ZBFHGGJFSA-N 1 3 278.415 3.125 20 0 CGADHO CC(C)(C)C1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246089437 804122377 /nfs/dbraw/zinc/12/23/77/804122377.db2.gz FFCZUNYISFPWKK-NRXISQOPSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccccc2OC)CC[NH2+]1 ZINC001246092344 804123305 /nfs/dbraw/zinc/12/33/05/804123305.db2.gz AKEALMIDZQYTEW-IAGOWNOFSA-N 1 3 290.451 3.138 20 0 CGADHO C[C@@]1(CN[C@H]2Cc3ccc(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246096766 804128141 /nfs/dbraw/zinc/12/81/41/804128141.db2.gz FYLLNRRPYYIUOU-DLBZAZTESA-N 1 3 292.854 3.177 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC001246095444 804128790 /nfs/dbraw/zinc/12/87/90/804128790.db2.gz GFGQZZWZFXIHCE-VYDXJSESSA-N 1 3 292.492 3.453 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246097560 804129910 /nfs/dbraw/zinc/12/99/10/804129910.db2.gz YSYVUQRISJXTQR-DGADGQDISA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1CC(NCCc2ccccc2OC)C[C@@H](CC)[NH2+]1 ZINC001246099170 804132008 /nfs/dbraw/zinc/13/20/08/804132008.db2.gz OTTFXIKYFNKOCU-HZPDHXFCSA-N 1 3 290.451 3.137 20 0 CGADHO C[C@]1(CN[C@H]2Cc3cccc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246107078 804140339 /nfs/dbraw/zinc/14/03/39/804140339.db2.gz YTWRBPCLCNELIU-YOEHRIQHSA-N 1 3 292.854 3.177 20 0 CGADHO CC(C)C1CCC(NC[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC001246116346 804147457 /nfs/dbraw/zinc/14/74/57/804147457.db2.gz VMKFBUZUZIVGET-JXQTWKCFSA-N 1 3 292.389 3.333 20 0 CGADHO CC1([NH2+]C2CCC3(CCCC3)CC2)CCNCC1 ZINC001246129208 804156143 /nfs/dbraw/zinc/15/61/43/804156143.db2.gz QPWNXPQYMPIJAN-UHFFFAOYSA-N 1 3 250.430 3.221 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246136355 804160354 /nfs/dbraw/zinc/16/03/54/804160354.db2.gz WKDRQJVTSBIPRL-NRXISQOPSA-N 1 3 264.457 3.323 20 0 CGADHO Cc1ccc(Cl)c(CNC2CCC3(C[NH2+]C3)CC2)c1F ZINC001246160803 804177018 /nfs/dbraw/zinc/17/70/18/804177018.db2.gz PFNFFXPYDOKYAT-UHFFFAOYSA-N 1 3 296.817 3.409 20 0 CGADHO C(CC1CCCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246176483 804190506 /nfs/dbraw/zinc/19/05/06/804190506.db2.gz DTAZUWPIWFXJJX-ZSHCYNCHSA-N 1 3 250.430 3.220 20 0 CGADHO Cc1ccc(SC[C@@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001246184896 804197177 /nfs/dbraw/zinc/19/71/77/804197177.db2.gz WBHXFBWKIPIPCA-TXCZRRACSA-N 1 3 290.476 3.063 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@@]1(C)CCC[NH2+]C1 ZINC001246191325 804199830 /nfs/dbraw/zinc/19/98/30/804199830.db2.gz VTQMVXWKWRPZDZ-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO CCCC[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246223771 804217517 /nfs/dbraw/zinc/21/75/17/804217517.db2.gz VBHBGJZWCBUGHX-ZVDSWSACSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCCCCC2)CCN1 ZINC001246238632 804229953 /nfs/dbraw/zinc/22/99/53/804229953.db2.gz QKTCXXCPKPEJES-HOCLYGCPSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@@H]1CC(NCC2(c3ccc(Cl)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246240661 804231883 /nfs/dbraw/zinc/23/18/83/804231883.db2.gz SVOUZXGOFSRODQ-CHWSQXEVSA-N 1 3 292.854 3.490 20 0 CGADHO C[C@@H]1CC([NH2+]CC2(c3ccc(Cl)cc3)CC2)C[C@@H](C)N1 ZINC001246240661 804231890 /nfs/dbraw/zinc/23/18/90/804231890.db2.gz SVOUZXGOFSRODQ-CHWSQXEVSA-N 1 3 292.854 3.490 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC(C)(C)C1 ZINC001246252253 804237886 /nfs/dbraw/zinc/23/78/86/804237886.db2.gz UUXTWMFXLPEDBX-LJIZCISZSA-N 1 3 264.457 3.464 20 0 CGADHO OCCCCCCCCCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246274661 804251482 /nfs/dbraw/zinc/25/14/82/804251482.db2.gz YYRUPFKPVSOHHD-QGZVFWFLSA-N 1 3 284.488 3.221 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@H]1[NH3+] ZINC001246279944 804254956 /nfs/dbraw/zinc/25/49/56/804254956.db2.gz OITYYIYWMUMDHI-LERXQTSPSA-N 1 3 286.341 3.106 20 0 CGADHO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C)CCN ZINC001246299643 804267157 /nfs/dbraw/zinc/26/71/57/804267157.db2.gz JAKCHKSTNCSJIC-NEPJUHHUSA-N 1 3 299.256 3.097 20 0 CGADHO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246307482 804270257 /nfs/dbraw/zinc/27/02/57/804270257.db2.gz CGTIWZGZSJLYSO-CVEARBPZSA-N 1 3 292.854 3.318 20 0 CGADHO CCCC[C@@H]1C[C@@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246325674 804282872 /nfs/dbraw/zinc/28/28/72/804282872.db2.gz KQWYBOJUSRZUBX-SJORKVTESA-N 1 3 296.405 3.408 20 0 CGADHO Cc1ccc(CC[C@@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC001246329453 804283901 /nfs/dbraw/zinc/28/39/01/804283901.db2.gz QMVPUPXJRRUZJD-BFYDXBDKSA-N 1 3 260.425 3.046 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)CCN1 ZINC001246331542 804286284 /nfs/dbraw/zinc/28/62/84/804286284.db2.gz CLAYCBNHEGIMRI-PDCGBLAGSA-N 1 3 276.468 3.466 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC001246333914 804289976 /nfs/dbraw/zinc/28/99/76/804289976.db2.gz RQUBCYMDKHPIMW-XUWVNRHRSA-N 1 3 252.446 3.466 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246347100 804298419 /nfs/dbraw/zinc/29/84/19/804298419.db2.gz GGPVDDOXTZHZHQ-MSOLQXFVSA-N 1 3 286.463 3.444 20 0 CGADHO C[C@H]1CC([NH2+]CC2(CC3CCC3)CC2)C[C@H](C)N1 ZINC001246375098 804309373 /nfs/dbraw/zinc/30/93/73/804309373.db2.gz HJYWFHNJUDEHAT-STQMWFEESA-N 1 3 250.430 3.075 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC001246377199 804310834 /nfs/dbraw/zinc/31/08/34/804310834.db2.gz MSFDNAQZIULQCR-WBVHZDCISA-N 1 3 274.452 3.294 20 0 CGADHO C(C1CC1)C1([NH2+]C2CCCCCC2)CCNCC1 ZINC001246381743 804313687 /nfs/dbraw/zinc/31/36/87/804313687.db2.gz RUBOYNSZAKQLCQ-UHFFFAOYSA-N 1 3 250.430 3.221 20 0 CGADHO CC[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCNCC2)C1 ZINC001246395570 804319080 /nfs/dbraw/zinc/31/90/80/804319080.db2.gz WHNBMTPKWMOCLZ-UKRRQHHQSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CCNCC2)C[C@@H]1C ZINC001246396569 804320875 /nfs/dbraw/zinc/32/08/75/804320875.db2.gz ZYAWVVAMWAOTMV-YCPHGPKFSA-N 1 3 264.457 3.323 20 0 CGADHO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC001246435418 804332653 /nfs/dbraw/zinc/33/26/53/804332653.db2.gz NKSNQZVILYBSPI-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1CCNC(C)(C)C1)C2(C)C ZINC001246442479 804334189 /nfs/dbraw/zinc/33/41/89/804334189.db2.gz JFCQXYGNTBQRCW-VQJWOFKYSA-N 1 3 264.457 3.177 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246461954 804341098 /nfs/dbraw/zinc/34/10/98/804341098.db2.gz QOEUGKAWPCDELJ-YESZJQIVSA-N 1 3 260.425 3.113 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@](C)(N)C1 ZINC001246461954 804341106 /nfs/dbraw/zinc/34/11/06/804341106.db2.gz QOEUGKAWPCDELJ-YESZJQIVSA-N 1 3 260.425 3.113 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246467188 804346102 /nfs/dbraw/zinc/34/61/02/804346102.db2.gz SKNQOJKVUIMFDB-BDXSIMOUSA-N 1 3 284.447 3.369 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001246472549 804349041 /nfs/dbraw/zinc/34/90/41/804349041.db2.gz GWTXNKIGJFRWOU-NCXUSEDFSA-N 1 3 284.447 3.152 20 0 CGADHO CCCC[C@@H]1C[C@@H](NC[C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246472537 804349512 /nfs/dbraw/zinc/34/95/12/804349512.db2.gz GUUBIVKPRDCBSO-XHSDSOJGSA-N 1 3 287.451 3.096 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CCNCC23CC3)cc1 ZINC001246474659 804351419 /nfs/dbraw/zinc/35/14/19/804351419.db2.gz RNTDGOQGKYGOOF-WBVHZDCISA-N 1 3 272.436 3.048 20 0 CGADHO C1=C[C@H](NC2CCC(Cc3ccccc3)CC2)[C@H]2C[NH2+]C[C@@H]12 ZINC001246474777 804351606 /nfs/dbraw/zinc/35/16/06/804351606.db2.gz BIWNZHQBBCVGHW-RUDWHLCBSA-N 1 3 296.458 3.152 20 0 CGADHO C1=C[C@H](N[C@@H]2CCC[C@@H](c3ccccc3)C2)[C@@H]2C[NH2+]C[C@H]12 ZINC001246476573 804351934 /nfs/dbraw/zinc/35/19/34/804351934.db2.gz XSONGMKUBULGFU-ZRSRNVLSSA-N 1 3 282.431 3.076 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+][C@@H]1CCNCC12CC2 ZINC001246475255 804352789 /nfs/dbraw/zinc/35/27/89/804352789.db2.gz UHMRRKSSKOQOMD-HUUCEWRRSA-N 1 3 252.446 3.467 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246499677 804363074 /nfs/dbraw/zinc/36/30/74/804363074.db2.gz UIMDLWKHXVXFJV-VVLHAWIVSA-N 1 3 258.409 3.053 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246499677 804363083 /nfs/dbraw/zinc/36/30/83/804363083.db2.gz UIMDLWKHXVXFJV-VVLHAWIVSA-N 1 3 258.409 3.053 20 0 CGADHO NC12CC([NH2+][C@@H]3CCc4cc(Cl)c(Cl)cc4C3)(C1)C2 ZINC001246504204 804364124 /nfs/dbraw/zinc/36/41/24/804364124.db2.gz OJWQQSMPFQVYHN-VCANKDNSSA-N 1 3 297.229 3.074 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H](C3CCC3)C3CNC3)C2)cc1 ZINC001246513354 804366646 /nfs/dbraw/zinc/36/66/46/804366646.db2.gz DFFSXMWGSZYRPV-NEWSRXKRSA-N 1 3 284.447 3.300 20 0 CGADHO CC(C)[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC001246512734 804368564 /nfs/dbraw/zinc/36/85/64/804368564.db2.gz BSJXFROPMVICDQ-VHDGCEQUSA-N 1 3 252.446 3.035 20 0 CGADHO CCCCC[C@@H](CC)[NH2+][C@@H](C1CCC1)C1CNC1 ZINC001246519300 804370833 /nfs/dbraw/zinc/37/08/33/804370833.db2.gz RNHGUBSIHJQMRR-CVEARBPZSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc2C1)C1CNC1 ZINC001246517508 804371859 /nfs/dbraw/zinc/37/18/59/804371859.db2.gz LUZADCVASGUYSO-IAGOWNOFSA-N 1 3 292.854 3.031 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246519760 804373581 /nfs/dbraw/zinc/37/35/81/804373581.db2.gz UGDQPDRRCUTHHR-ZWKOTPCHSA-N 1 3 274.452 3.231 20 0 CGADHO CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@H](C(C)C)C1 ZINC001246533580 804382542 /nfs/dbraw/zinc/38/25/42/804382542.db2.gz VSOJGCWYBRFNDD-CVEARBPZSA-N 1 3 252.446 3.418 20 0 CGADHO CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](C(C)C)C1 ZINC001246533580 804382551 /nfs/dbraw/zinc/38/25/51/804382551.db2.gz VSOJGCWYBRFNDD-CVEARBPZSA-N 1 3 252.446 3.418 20 0 CGADHO [NH3+][C@H]1CCCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246544797 804393975 /nfs/dbraw/zinc/39/39/75/804393975.db2.gz ZEUKZMBQCVQKSW-UONOGXRCSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC[C@](C)([NH3+])CC1 ZINC001246548493 804397589 /nfs/dbraw/zinc/39/75/89/804397589.db2.gz GPWYCXMFWOTOFN-CJNGLKHVSA-N 1 3 280.843 3.474 20 0 CGADHO CC(C)=CCC[C@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555466 804405903 /nfs/dbraw/zinc/40/59/03/804405903.db2.gz GTFLQKPCVFFXRZ-QWHCGFSZSA-N 1 3 260.372 3.037 20 0 CGADHO CCCCC[C@H](CC)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246557016 804406328 /nfs/dbraw/zinc/40/63/28/804406328.db2.gz KJJUMQZQFQSWAX-OLZOCXBDSA-N 1 3 262.388 3.261 20 0 CGADHO CCCCC[C@H](CC)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246557019 804406591 /nfs/dbraw/zinc/40/65/91/804406591.db2.gz KJJUMQZQFQSWAX-STQMWFEESA-N 1 3 262.388 3.261 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1[C@H]1CCc2c(Cl)cccc2C1 ZINC001246561917 804409692 /nfs/dbraw/zinc/40/96/92/804409692.db2.gz HEHYAXYKTMCUIP-SNPRPXQTSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246562894 804412149 /nfs/dbraw/zinc/41/21/49/804412149.db2.gz ICNBALKXHZMYBC-NFAWXSAZSA-N 1 3 280.843 3.330 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246584852 804427919 /nfs/dbraw/zinc/42/79/19/804427919.db2.gz VPNIUDZHLNBKMZ-ZWKOTPCHSA-N 1 3 274.452 3.459 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246584852 804427924 /nfs/dbraw/zinc/42/79/24/804427924.db2.gz VPNIUDZHLNBKMZ-ZWKOTPCHSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246591203 804433103 /nfs/dbraw/zinc/43/31/03/804433103.db2.gz MVEBIYSEVWHULG-XNJGSVPQSA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@H](CN)C[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001246591203 804433106 /nfs/dbraw/zinc/43/31/06/804433106.db2.gz MVEBIYSEVWHULG-XNJGSVPQSA-N 1 3 292.854 3.257 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[N@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593339 804434734 /nfs/dbraw/zinc/43/47/34/804434734.db2.gz MECBADNIJMQYQF-IKGGRYGDSA-N 1 3 284.488 3.433 20 0 CGADHO CC[C@H](C)OCC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCCNCC1 ZINC001246593339 804434739 /nfs/dbraw/zinc/43/47/39/804434739.db2.gz MECBADNIJMQYQF-IKGGRYGDSA-N 1 3 284.488 3.433 20 0 CGADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]23CCCNC3)C[C@H]1C ZINC001246608201 804443729 /nfs/dbraw/zinc/44/37/29/804443729.db2.gz IIFIPXMABORXHV-LVQVYYBASA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCCNC3)C[C@H]1C ZINC001246608201 804443733 /nfs/dbraw/zinc/44/37/33/804443733.db2.gz IIFIPXMABORXHV-LVQVYYBASA-N 1 3 250.430 3.029 20 0 CGADHO CC1(C)CCC[C@H]([N@@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246612845 804446741 /nfs/dbraw/zinc/44/67/41/804446741.db2.gz XNSHQUJSTOUSSC-GOEBONIOSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CCC[C@H]([N@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246612845 804446744 /nfs/dbraw/zinc/44/67/44/804446744.db2.gz XNSHQUJSTOUSSC-GOEBONIOSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N1CCC(F)(C[NH3+])CC1 ZINC001246627580 804458249 /nfs/dbraw/zinc/45/82/49/804458249.db2.gz NOAPDGJEGRFWAT-LBPRGKRZSA-N 1 3 284.806 3.034 20 0 CGADHO CCC(C)(C)C1CCC([N@@H+]2CCC3(CNC3)C2)CC1 ZINC001246628162 804459236 /nfs/dbraw/zinc/45/92/36/804459236.db2.gz BBMHQXBNYDPAOD-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO CCC(C)(C)C1CCC([N@H+]2CCC3(CNC3)C2)CC1 ZINC001246628162 804459242 /nfs/dbraw/zinc/45/92/42/804459242.db2.gz BBMHQXBNYDPAOD-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO CCC(C)(C)C1CCC(N2CCC3(C[NH2+]C3)C2)CC1 ZINC001246628162 804459249 /nfs/dbraw/zinc/45/92/49/804459249.db2.gz BBMHQXBNYDPAOD-UHFFFAOYSA-N 1 3 264.457 3.277 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CCCC23CCNCC3)cc1 ZINC001246642072 804469059 /nfs/dbraw/zinc/46/90/59/804469059.db2.gz AYHGXRXIWDFTSA-INIZCTEOSA-N 1 3 286.463 3.398 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CCCC23CCNCC3)cc1 ZINC001246642072 804469062 /nfs/dbraw/zinc/46/90/62/804469062.db2.gz AYHGXRXIWDFTSA-INIZCTEOSA-N 1 3 286.463 3.398 20 0 CGADHO [NH3+]CC12CC(C1)CN2C1CCC2(CCCCC2)CC1 ZINC001246647750 804475899 /nfs/dbraw/zinc/47/58/99/804475899.db2.gz VKOJPHHLDFXXLW-UHFFFAOYSA-N 1 3 262.441 3.303 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC2(C=Cc3ccccc32)CC1 ZINC001246649140 804477036 /nfs/dbraw/zinc/47/70/36/804477036.db2.gz VQBQJDYDKGGELE-HNNXBMFYSA-N 1 3 270.420 3.045 20 0 CGADHO CC1(C)CC[C@H]([N@@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246652456 804478784 /nfs/dbraw/zinc/47/87/84/804478784.db2.gz PELOPWLPTOUKGK-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CC[C@H]([N@H+]2CCCC[C@@]23CCCNC3)C1 ZINC001246652456 804478786 /nfs/dbraw/zinc/47/87/86/804478786.db2.gz PELOPWLPTOUKGK-HOCLYGCPSA-N 1 3 250.430 3.173 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660453 804483494 /nfs/dbraw/zinc/48/34/94/804483494.db2.gz UGRKFDSBGJDEFN-JJXSEGSLSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246660453 804483497 /nfs/dbraw/zinc/48/34/97/804483497.db2.gz UGRKFDSBGJDEFN-JJXSEGSLSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246669529 804488008 /nfs/dbraw/zinc/48/80/08/804488008.db2.gz BDWSGVXNZYQRQF-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)[N@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246669529 804488013 /nfs/dbraw/zinc/48/80/13/804488013.db2.gz BDWSGVXNZYQRQF-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](CCc1ccccc1)N1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246669529 804488020 /nfs/dbraw/zinc/48/80/20/804488020.db2.gz BDWSGVXNZYQRQF-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO CCC[C@H](C)[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246676301 804491273 /nfs/dbraw/zinc/49/12/73/804491273.db2.gz ZAAPOKMMEJYZER-WDSOQIARSA-N 1 3 286.463 3.428 20 0 CGADHO CCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001246676301 804491277 /nfs/dbraw/zinc/49/12/77/804491277.db2.gz ZAAPOKMMEJYZER-WDSOQIARSA-N 1 3 286.463 3.428 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC(c3ccccc3)CC2)C[C@H](C)N1 ZINC001246688362 804497949 /nfs/dbraw/zinc/49/79/49/804497949.db2.gz GQPUCXXJQJRWCH-JLVBRIDZSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCC[C@H](C[NH3+])C1 ZINC001246773666 804504504 /nfs/dbraw/zinc/50/45/04/804504504.db2.gz BDMMAVOJWVSGMF-QWHCGFSZSA-N 1 3 298.883 3.491 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2CCC[C@H](C[NH3+])C2)cc1 ZINC001246775947 804505735 /nfs/dbraw/zinc/50/57/35/804505735.db2.gz LIOQJRHBIHANGP-HUUCEWRRSA-N 1 3 278.465 3.146 20 0 CGADHO CCCC[C@H]1C[C@H]([NH+]2CCc3ccccc3CC2)CCN1 ZINC001246781096 804508442 /nfs/dbraw/zinc/50/84/42/804508442.db2.gz FMZXLVXLNIPTQX-RBUKOAKNSA-N 1 3 286.463 3.398 20 0 CGADHO COc1ccc([C@H]2CCCN2[C@H]2CC[NH2+]C(C)(C)C2)cc1 ZINC001246783474 804510597 /nfs/dbraw/zinc/51/05/97/804510597.db2.gz ZAEQZBVDQVIOOH-DOTOQJQBSA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@H]2CCC[N@@H+]2[C@H]2CCNC(C)(C)C2)cc1 ZINC001246783474 804510602 /nfs/dbraw/zinc/51/06/02/804510602.db2.gz ZAEQZBVDQVIOOH-DOTOQJQBSA-N 1 3 288.435 3.363 20 0 CGADHO COc1ccc([C@H]2CCC[N@H+]2[C@H]2CCNC(C)(C)C2)cc1 ZINC001246783474 804510606 /nfs/dbraw/zinc/51/06/06/804510606.db2.gz ZAEQZBVDQVIOOH-DOTOQJQBSA-N 1 3 288.435 3.363 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246792928 804515874 /nfs/dbraw/zinc/51/58/74/804515874.db2.gz SLILVPNCHOGMKB-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)CCN1 ZINC001246792928 804515879 /nfs/dbraw/zinc/51/58/79/804515879.db2.gz SLILVPNCHOGMKB-KURKYZTESA-N 1 3 272.436 3.082 20 0 CGADHO C[N@@H+](CC1CCC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246799710 804521532 /nfs/dbraw/zinc/52/15/32/804521532.db2.gz ANLNLLUCHYHVQV-OAHLLOKOSA-N 1 3 250.430 3.173 20 0 CGADHO C[N@H+](CC1CCC1)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246799710 804521529 /nfs/dbraw/zinc/52/15/29/804521529.db2.gz ANLNLLUCHYHVQV-OAHLLOKOSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246838871 804548324 /nfs/dbraw/zinc/54/83/24/804548324.db2.gz JITUDYPLIPMQCE-XGUBFFRZSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCN[C@H](C(C)(C)C)C2)C1 ZINC001246838871 804548328 /nfs/dbraw/zinc/54/83/28/804548328.db2.gz JITUDYPLIPMQCE-XGUBFFRZSA-N 1 3 252.446 3.131 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246842013 804549551 /nfs/dbraw/zinc/54/95/51/804549551.db2.gz SMBIXBWNCUTSCM-QKPAOTATSA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)CCN1 ZINC001246842013 804549555 /nfs/dbraw/zinc/54/95/55/804549555.db2.gz SMBIXBWNCUTSCM-QKPAOTATSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@H+](C)C[C@@H]2CCCNC2)cc1 ZINC001246841607 804549698 /nfs/dbraw/zinc/54/96/98/804549698.db2.gz NNTOQVILEWNLNE-SJLPKXTDSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1ccc(CC[C@@H](C)[N@@H+](C)C[C@@H]2CCCNC2)cc1 ZINC001246841607 804549702 /nfs/dbraw/zinc/54/97/02/804549702.db2.gz NNTOQVILEWNLNE-SJLPKXTDSA-N 1 3 274.452 3.248 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+](C)CC2CCCC2)CCN1 ZINC001246841622 804549990 /nfs/dbraw/zinc/54/99/90/804549990.db2.gz NPLXNLUQFLMZJZ-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+](C)CC2CCCC2)CCN1 ZINC001246841622 804549994 /nfs/dbraw/zinc/54/99/94/804549994.db2.gz NPLXNLUQFLMZJZ-CVEARBPZSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC(CCCC)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246843288 804552790 /nfs/dbraw/zinc/55/27/90/804552790.db2.gz FOUYOWDROVSHMZ-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCC(CCCC)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246843288 804552793 /nfs/dbraw/zinc/55/27/93/804552793.db2.gz FOUYOWDROVSHMZ-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO Clc1ccc([C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC001246846521 804555984 /nfs/dbraw/zinc/55/59/84/804555984.db2.gz BFBBIOUKDKIGFZ-JTUUTPGSSA-N 1 3 290.838 3.412 20 0 CGADHO C1CCC2(C1)CCC([N@@H+]1C[C@@H]3CCNC[C@H]3C1)CC2 ZINC001246847716 804557568 /nfs/dbraw/zinc/55/75/68/804557568.db2.gz RTTHYGFVFOEHRM-GJZGRUSLSA-N 1 3 262.441 3.031 20 0 CGADHO C1CCC2(C1)CCC([N@H+]1C[C@@H]3CCNC[C@H]3C1)CC2 ZINC001246847716 804557571 /nfs/dbraw/zinc/55/75/71/804557571.db2.gz RTTHYGFVFOEHRM-GJZGRUSLSA-N 1 3 262.441 3.031 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246847562 804558094 /nfs/dbraw/zinc/55/80/94/804558094.db2.gz UJKYPQYKQVTHTO-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246847562 804558100 /nfs/dbraw/zinc/55/81/00/804558100.db2.gz UJKYPQYKQVTHTO-RBSFLKMASA-N 1 3 252.446 3.275 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870673 804572239 /nfs/dbraw/zinc/57/22/39/804572239.db2.gz YWPWSOCCBKIDGT-WNHJNPCNSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C2)cc1 ZINC001246870673 804572240 /nfs/dbraw/zinc/57/22/40/804572240.db2.gz YWPWSOCCBKIDGT-WNHJNPCNSA-N 1 3 284.447 3.397 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([NH+]3CCCNCCC3)C2)cc1 ZINC001246904743 804590536 /nfs/dbraw/zinc/59/05/36/804590536.db2.gz HZZMRSKKAMVTFM-ZWKOTPCHSA-N 1 3 272.436 3.398 20 0 CGADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1cccc(Cl)c1 ZINC001246936304 804608989 /nfs/dbraw/zinc/60/89/89/804608989.db2.gz IQYAQPHOYWIIKR-UKRRQHHQSA-N 1 3 280.843 3.202 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C[C@H](C)N1 ZINC001246998078 804633338 /nfs/dbraw/zinc/63/33/38/804633338.db2.gz ABOAZQURDPUBPJ-DACLVMHWSA-N 1 3 290.426 3.362 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2Cc2ccc(F)cc2)C[C@H](C)N1 ZINC001246998078 804633341 /nfs/dbraw/zinc/63/33/41/804633341.db2.gz ABOAZQURDPUBPJ-DACLVMHWSA-N 1 3 290.426 3.362 20 0 CGADHO C1CC2(C[N@@H+]1[C@@H]1C[C@H]3CCC[C@@H](C1)N3)CCCCC2 ZINC001247000778 804634812 /nfs/dbraw/zinc/63/48/12/804634812.db2.gz XDPQKYVEPSEHSU-MUJYYYPQSA-N 1 3 262.441 3.316 20 0 CGADHO C1CC2(C[N@H+]1[C@@H]1C[C@H]3CCC[C@@H](C1)N3)CCCCC2 ZINC001247000778 804634818 /nfs/dbraw/zinc/63/48/18/804634818.db2.gz XDPQKYVEPSEHSU-MUJYYYPQSA-N 1 3 262.441 3.316 20 0 CGADHO c1cc(NC2=CC[C@H](N3CCOCC3)CC2)cc(C2CC2)[nH+]1 ZINC001249554578 805176092 /nfs/dbraw/zinc/17/60/92/805176092.db2.gz IXNJNNHLYFYZEU-KRWDZBQOSA-N 1 3 299.418 3.140 20 0 CGADHO CCCC[C@@H](CC)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257427281 807151427 /nfs/dbraw/zinc/15/14/27/807151427.db2.gz ZHAXJMHEWBOBKM-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO CCCC[C@@H](CC)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257427281 807151431 /nfs/dbraw/zinc/15/14/31/807151431.db2.gz ZHAXJMHEWBOBKM-OWCLPIDISA-N 1 3 252.446 3.229 20 0 CGADHO Cc1nc2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)cc2[nH]1 ZINC001167625312 807217937 /nfs/dbraw/zinc/21/79/37/807217937.db2.gz VGRDRLOCQOIMRD-UHFFFAOYSA-N 1 3 286.423 3.356 20 0 CGADHO CC(C)CN1CCC([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001258001295 807262661 /nfs/dbraw/zinc/26/26/61/807262661.db2.gz JANVCHOEKKPRLZ-UHFFFAOYSA-N 1 3 275.440 3.027 20 0 CGADHO CC(C)CN1CCC([NH2+]CCCCCCCCO)CC1 ZINC001258005865 807265201 /nfs/dbraw/zinc/26/52/01/807265201.db2.gz WYZYOMFIJXTEIV-UHFFFAOYSA-N 1 3 284.488 3.029 20 0 CGADHO CCOCCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168006978 807298251 /nfs/dbraw/zinc/29/82/51/807298251.db2.gz PZZJLVZDAXTXJM-HZPDHXFCSA-N 1 3 290.451 3.054 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258086828 807301048 /nfs/dbraw/zinc/30/10/48/807301048.db2.gz DNKKYSNGJQKKIW-KZNAEPCWSA-N 1 3 294.483 3.354 20 0 CGADHO CC(C)=CCC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258095166 807305505 /nfs/dbraw/zinc/30/55/05/807305505.db2.gz DUXZQTINMPUREK-HNNXBMFYSA-N 1 3 250.430 3.149 20 0 CGADHO C[C@@H]1CC([NH+]2CCN(c3ccncc3)CC2)C[C@@H](C)C1 ZINC001258162147 807330363 /nfs/dbraw/zinc/33/03/63/807330363.db2.gz HYVWOUXGPNQJOD-GJZGRUSLSA-N 1 3 273.424 3.028 20 0 CGADHO CCN(C)C1CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258170387 807336628 /nfs/dbraw/zinc/33/66/28/807336628.db2.gz KDTPHNGRUQYUAP-FOLVSLTJSA-N 1 3 252.446 3.227 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001168188676 807339680 /nfs/dbraw/zinc/33/96/80/807339680.db2.gz LUECYKJKRGFCET-CQSZACIVSA-N 1 3 292.854 3.299 20 0 CGADHO CSCC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258202404 807360796 /nfs/dbraw/zinc/36/07/96/807360796.db2.gz KLVMOCCQSHYRGD-NSHDSACASA-N 1 3 258.475 3.108 20 0 CGADHO COc1cccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168353499 807389928 /nfs/dbraw/zinc/38/99/28/807389928.db2.gz PLWWKAUMOBGJHK-AWEZNQCLSA-N 1 3 288.435 3.220 20 0 CGADHO C[C@@H](CC1CC1)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001258453023 807458478 /nfs/dbraw/zinc/45/84/78/807458478.db2.gz GYKINFMWIFVOCS-ZDUSSCGKSA-N 1 3 276.399 3.264 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@@H]3C[C@H](C)CC(C)(C)C3)C[C@H]2C1 ZINC001258705216 807559583 /nfs/dbraw/zinc/55/95/83/807559583.db2.gz VRGHLFSLHKLIFE-YLFCFFPRSA-N 1 3 278.484 3.475 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](C)CN ZINC001258708447 807561274 /nfs/dbraw/zinc/56/12/74/807561274.db2.gz XUWNKHKDXPEWQH-NVXWUHKLSA-N 1 3 262.441 3.315 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)CN ZINC001258708447 807561280 /nfs/dbraw/zinc/56/12/80/807561280.db2.gz XUWNKHKDXPEWQH-NVXWUHKLSA-N 1 3 262.441 3.315 20 0 CGADHO CSc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169096858 807572972 /nfs/dbraw/zinc/57/29/72/807572972.db2.gz ZDDCVZLRUBCSMS-QDMKHBRRSA-N 1 3 276.449 3.123 20 0 CGADHO C=Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001169098424 807576558 /nfs/dbraw/zinc/57/65/58/807576558.db2.gz HYADEEMNMOQAMN-OSYLJGHBSA-N 1 3 256.393 3.044 20 0 CGADHO COc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC001169109100 807577893 /nfs/dbraw/zinc/57/78/93/807577893.db2.gz YDHFYKDYQNAYLH-MHEUCROKSA-N 1 3 292.398 3.110 20 0 CGADHO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC001169109098 807579642 /nfs/dbraw/zinc/57/96/42/807579642.db2.gz YDHFYKDYQNAYLH-CYUUQNCZSA-N 1 3 292.398 3.110 20 0 CGADHO CCC[NH+]1CCC(NC(C)(C)c2ccc(OC)cc2)CC1 ZINC001258767000 807602294 /nfs/dbraw/zinc/60/22/94/807602294.db2.gz JXCKVOLQIULKOB-UHFFFAOYSA-N 1 3 290.451 3.394 20 0 CGADHO CCC[NH+]1CCC(NC(C)(C)c2ccccc2)CC1 ZINC001258767912 807602931 /nfs/dbraw/zinc/60/29/31/807602931.db2.gz PAEFDMNEARBHRQ-UHFFFAOYSA-N 1 3 260.425 3.386 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258787457 807612784 /nfs/dbraw/zinc/61/27/84/807612784.db2.gz UFMJLKXPSQOOIF-MHORFTMASA-N 1 3 296.499 3.434 20 0 CGADHO COCCC1([NH3+])CCN([C@H](C)CCCC(C)C)CC1 ZINC001170070106 807747138 /nfs/dbraw/zinc/74/71/38/807747138.db2.gz CPWGFIMKJFPSAG-OAHLLOKOSA-N 1 3 270.461 3.031 20 0 CGADHO CN1C(C)(C)CC([NH2+]CC[C@@H]2CCCCO2)CC1(C)C ZINC001171619016 808105369 /nfs/dbraw/zinc/10/53/69/808105369.db2.gz DTSRCOKAIIDLFS-HNNXBMFYSA-N 1 3 282.472 3.187 20 0 CGADHO CN1C(C)(C)CC([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1(C)C ZINC001171639930 808110836 /nfs/dbraw/zinc/11/08/36/808110836.db2.gz VOWKFJVVMAQFJQ-HNNXBMFYSA-N 1 3 286.410 3.369 20 0 CGADHO CN1C(C)(C)CC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1(C)C ZINC001171639930 808110841 /nfs/dbraw/zinc/11/08/41/808110841.db2.gz VOWKFJVVMAQFJQ-HNNXBMFYSA-N 1 3 286.410 3.369 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1 ZINC001171659895 808114507 /nfs/dbraw/zinc/11/45/07/808114507.db2.gz GAEHUSZVZIHRCA-WMZOPIPTSA-N 1 3 274.452 3.390 20 0 CGADHO CCC[N@H+](CCCN)[C@@H](C)CCc1ccc(C)cc1 ZINC001171658238 808114537 /nfs/dbraw/zinc/11/45/37/808114537.db2.gz PWWXSPYRHIYTDZ-INIZCTEOSA-N 1 3 262.441 3.377 20 0 CGADHO CCC[N@@H+](CCCN)[C@@H](C)CCc1ccc(C)cc1 ZINC001171658238 808114543 /nfs/dbraw/zinc/11/45/43/808114543.db2.gz PWWXSPYRHIYTDZ-INIZCTEOSA-N 1 3 262.441 3.377 20 0 CGADHO Cc1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098876 808171302 /nfs/dbraw/zinc/17/13/02/808171302.db2.gz CXDHLTUHRKQTHF-OSYLJGHBSA-N 1 3 258.409 3.100 20 0 CGADHO Cc1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098876 808171308 /nfs/dbraw/zinc/17/13/08/808171308.db2.gz CXDHLTUHRKQTHF-OSYLJGHBSA-N 1 3 258.409 3.100 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3c1cccc3F)C2 ZINC001172106501 808176362 /nfs/dbraw/zinc/17/63/62/808176362.db2.gz PPSKXYBXLQOCCK-FLTUCWPJSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCc3c1cccc3F)C2 ZINC001172106501 808176365 /nfs/dbraw/zinc/17/63/65/808176365.db2.gz PPSKXYBXLQOCCK-FLTUCWPJSA-N 1 3 288.410 3.418 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3ccncc31)C2 ZINC001172113557 808180288 /nfs/dbraw/zinc/18/02/88/808180288.db2.gz KHPJTYTXYMHUNO-DFGXFYAUSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCCc3ccncc31)C2 ZINC001172113557 808180290 /nfs/dbraw/zinc/18/02/90/808180290.db2.gz KHPJTYTXYMHUNO-DFGXFYAUSA-N 1 3 285.435 3.064 20 0 CGADHO c1ccc2c(c1)C[C@@H](NCCC[NH+]1CCCCC1)CS2 ZINC001172187159 808191600 /nfs/dbraw/zinc/19/16/00/808191600.db2.gz JDSRXXJXWOVPPS-MRXNPFEDSA-N 1 3 290.476 3.169 20 0 CGADHO CC[C@H](C)OCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001172320698 808230138 /nfs/dbraw/zinc/23/01/38/808230138.db2.gz ZNAGEJJRHSKKBT-BBWFWOEESA-N 1 3 284.488 3.434 20 0 CGADHO CCOCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001172413310 808298590 /nfs/dbraw/zinc/29/85/90/808298590.db2.gz AMAOVXOYNDLLAH-OAHLLOKOSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)OCC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001172436541 808313005 /nfs/dbraw/zinc/31/30/05/808313005.db2.gz USONKDPNVVYHQY-CQSZACIVSA-N 1 3 284.488 3.431 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@@H]1CCCN1C ZINC001172855826 808463128 /nfs/dbraw/zinc/46/31/28/808463128.db2.gz HZHSKMLFKPCNTH-DOMZBBRYSA-N 1 3 298.833 3.484 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N(C)C[C@@H](C)C[NH3+] ZINC001172881286 808475150 /nfs/dbraw/zinc/47/51/50/808475150.db2.gz ZTMDXWOCLFDXIV-NWDGAFQWSA-N 1 3 286.872 3.347 20 0 CGADHO CC[NH+](CC)C1CCC(N[C@H](C)c2cscn2)CC1 ZINC001173101910 808509065 /nfs/dbraw/zinc/50/90/65/808509065.db2.gz PDDAEJNWLKEYBO-IYXRBSQSSA-N 1 3 281.469 3.447 20 0 CGADHO CCCCC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275120650 808912913 /nfs/dbraw/zinc/91/29/13/808912913.db2.gz LDUNFAFNTARALP-CALCHBBNSA-N 1 3 289.467 3.349 20 0 CGADHO CCCCC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275120650 808912919 /nfs/dbraw/zinc/91/29/19/808912919.db2.gz LDUNFAFNTARALP-CALCHBBNSA-N 1 3 289.467 3.349 20 0 CGADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC001276169796 808991477 /nfs/dbraw/zinc/99/14/77/808991477.db2.gz DGUKXFBKTRNRGM-UHFFFAOYSA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CCC2(C1)CCN(Cc1ccc3ccccc3n1)CC2 ZINC001276169796 808991484 /nfs/dbraw/zinc/99/14/84/808991484.db2.gz DGUKXFBKTRNRGM-UHFFFAOYSA-N 1 3 295.430 3.153 20 0 CGADHO C[N@H+]1CC[C@H]2CN(Cc3cccc(Cl)c3F)C[C@H]2CC1 ZINC001276377034 809005836 /nfs/dbraw/zinc/00/58/36/809005836.db2.gz ISJIYIRGCYWJQM-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO C[N@@H+]1CC[C@H]2CN(Cc3cccc(Cl)c3F)C[C@H]2CC1 ZINC001276377034 809005846 /nfs/dbraw/zinc/00/58/46/809005846.db2.gz ISJIYIRGCYWJQM-BETUJISGSA-N 1 3 296.817 3.253 20 0 CGADHO CN1CCC=C(Nc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001175576716 809458340 /nfs/dbraw/zinc/45/83/40/809458340.db2.gz RCIHKAFAWNRTBG-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO CN1CCC=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001175582284 809462051 /nfs/dbraw/zinc/46/20/51/809462051.db2.gz KHPVHESNDCRGJI-UHFFFAOYSA-N 1 3 299.462 3.346 20 0 CGADHO CC(C)C[N@H+](C)CCCNCCc1ccc(F)c(F)c1 ZINC001182715957 810121380 /nfs/dbraw/zinc/12/13/80/810121380.db2.gz SJVCFRJPOIROBQ-UHFFFAOYSA-N 1 3 284.394 3.075 20 0 CGADHO CC(C)C[N@@H+](C)CCCNCCc1ccc(F)c(F)c1 ZINC001182715957 810121381 /nfs/dbraw/zinc/12/13/81/810121381.db2.gz SJVCFRJPOIROBQ-UHFFFAOYSA-N 1 3 284.394 3.075 20 0 CGADHO C[C@@H](CN(C)CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001184197912 810182257 /nfs/dbraw/zinc/18/22/57/810182257.db2.gz SOHYTQCMKJNCIU-HNNXBMFYSA-N 1 3 262.441 3.310 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC001184418665 810199157 /nfs/dbraw/zinc/19/91/57/810199157.db2.gz STGXHJJUSIYRIS-ZIAGYGMSSA-N 1 3 272.502 3.228 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)C1 ZINC001201962766 811986475 /nfs/dbraw/zinc/98/64/75/811986475.db2.gz IJLQRWOGMADAGB-IXDOHACOSA-N 1 3 282.472 3.188 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1c(C)cc(C)cc1C ZINC001203744299 812449075 /nfs/dbraw/zinc/44/90/75/812449075.db2.gz ASSXXVSCTMQHNK-UHFFFAOYSA-N 1 3 262.441 3.385 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1ccc(CC)cc1 ZINC001204179375 812567577 /nfs/dbraw/zinc/56/75/77/812567577.db2.gz OZJSUSXHYFUFCC-UHFFFAOYSA-N 1 3 262.441 3.413 20 0 CGADHO CCn1ccc2c1cccc2CN1CCC[C@H](C[NH2+]C)C1 ZINC001205009517 812821941 /nfs/dbraw/zinc/82/19/41/812821941.db2.gz VRFJKIQGXQONQQ-OAHLLOKOSA-N 1 3 285.435 3.093 20 0 CGADHO C[C@@]1([NH3+])CCCN(Cc2ccc(F)c3ccoc32)CC1 ZINC001205289628 812933310 /nfs/dbraw/zinc/93/33/10/812933310.db2.gz ZZULLWXPIGAZMT-MRXNPFEDSA-N 1 3 276.355 3.275 20 0 CGADHO Cc1ccc(CC[N@H+](C)CCCN2CCCC2)cc1C ZINC001205535354 812997195 /nfs/dbraw/zinc/99/71/95/812997195.db2.gz LSUVCLBWBMMQRL-UHFFFAOYSA-N 1 3 274.452 3.264 20 0 CGADHO Cc1ccc(CC[N@@H+](C)CCCN2CCCC2)cc1C ZINC001205535354 812997201 /nfs/dbraw/zinc/99/72/01/812997201.db2.gz LSUVCLBWBMMQRL-UHFFFAOYSA-N 1 3 274.452 3.264 20 0 CGADHO C[C@H]1CCN(Cc2cccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC001205616590 813026058 /nfs/dbraw/zinc/02/60/58/813026058.db2.gz GJCDLWAKGRDBBW-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2coc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC001205639153 813038223 /nfs/dbraw/zinc/03/82/23/813038223.db2.gz WNMRNQPRIOHENN-GOEBONIOSA-N 1 3 299.418 3.148 20 0 CGADHO CCN(CC)CCC[N@H+](CC)C[C@]1(C)CCCS1 ZINC001205684177 813052759 /nfs/dbraw/zinc/05/27/59/813052759.db2.gz DLEOYCVHYFWHQO-HNNXBMFYSA-N 1 3 272.502 3.326 20 0 CGADHO CCN(CC)CCC[N@@H+](CC)C[C@]1(C)CCCS1 ZINC001205684177 813052767 /nfs/dbraw/zinc/05/27/67/813052767.db2.gz DLEOYCVHYFWHQO-HNNXBMFYSA-N 1 3 272.502 3.326 20 0 CGADHO CCN(CCC[NH+](CC)CC)C[C@]1(C)CCCS1 ZINC001205684177 813052776 /nfs/dbraw/zinc/05/27/76/813052776.db2.gz DLEOYCVHYFWHQO-HNNXBMFYSA-N 1 3 272.502 3.326 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCCCCc1ccccc1 ZINC001205903066 813124450 /nfs/dbraw/zinc/12/44/50/813124450.db2.gz NLUAEZCBTRSHPB-FUHWJXTLSA-N 1 3 274.452 3.459 20 0 CGADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCCCCc1ccccc1 ZINC001205903066 813124455 /nfs/dbraw/zinc/12/44/55/813124455.db2.gz NLUAEZCBTRSHPB-FUHWJXTLSA-N 1 3 274.452 3.459 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1OC(C)C ZINC001205915809 813131558 /nfs/dbraw/zinc/13/15/58/813131558.db2.gz QPYDGPKZWOJQTG-RDJZCZTQSA-N 1 3 290.451 3.341 20 0 CGADHO C[C@H]1CN(Cc2cc(Cl)ccc2F)CCC[C@H]1C[NH3+] ZINC001205995332 813156409 /nfs/dbraw/zinc/15/64/09/813156409.db2.gz NQMNZPDWSYAQJA-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO CCCCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206156690 813216576 /nfs/dbraw/zinc/21/65/76/813216576.db2.gz SCEBKBHKCQQZJP-DLBZAZTESA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206156690 813216580 /nfs/dbraw/zinc/21/65/80/813216580.db2.gz SCEBKBHKCQQZJP-DLBZAZTESA-N 1 3 294.414 3.127 20 0 CGADHO [NH3+][C@H]1CCN(Cc2cc3ccccc3s2)CC[C@H]1F ZINC001206163666 813221115 /nfs/dbraw/zinc/22/11/15/813221115.db2.gz DPVQBJRYKXWLTK-KGLIPLIRSA-N 1 3 278.396 3.163 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187496 813232046 /nfs/dbraw/zinc/23/20/46/813232046.db2.gz TYCALKLWOGFTAL-ZWKOTPCHSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2cncc(-c3ccccc3)c2)CC[C@@H]1F ZINC001206187496 813232048 /nfs/dbraw/zinc/23/20/48/813232048.db2.gz TYCALKLWOGFTAL-ZWKOTPCHSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200976 813236446 /nfs/dbraw/zinc/23/64/46/813236446.db2.gz UWDDJFQSBQQPSL-DLBZAZTESA-N 1 3 299.393 3.010 20 0 CGADHO N[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)CC[C@@H]1F ZINC001206200976 813236452 /nfs/dbraw/zinc/23/64/52/813236452.db2.gz UWDDJFQSBQQPSL-DLBZAZTESA-N 1 3 299.393 3.010 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206200149 813236591 /nfs/dbraw/zinc/23/65/91/813236591.db2.gz QROXYGFFFUUZPX-JKSUJKDBSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1 ZINC001206200149 813236594 /nfs/dbraw/zinc/23/65/94/813236594.db2.gz QROXYGFFFUUZPX-JKSUJKDBSA-N 1 3 294.414 3.125 20 0 CGADHO Cc1c(C)c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1Cl ZINC001206214161 813244352 /nfs/dbraw/zinc/24/43/52/813244352.db2.gz XMJCAEJSJDMGML-GJZGRUSLSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1c(C)c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)ccc1Cl ZINC001206214161 813244355 /nfs/dbraw/zinc/24/43/55/813244355.db2.gz XMJCAEJSJDMGML-GJZGRUSLSA-N 1 3 284.806 3.218 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2csc(Cl)c2)CC1 ZINC001206311739 813284183 /nfs/dbraw/zinc/28/41/83/813284183.db2.gz TYNUOGYIOHCLEK-ZDUSSCGKSA-N 1 3 272.845 3.352 20 0 CGADHO CC(C)[N@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCCNCC1 ZINC001206581037 813363045 /nfs/dbraw/zinc/36/30/45/813363045.db2.gz HJHZJJCTCSFSLY-YVSFHVDLSA-N 1 3 262.441 3.051 20 0 CGADHO CC(C)[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)[C@H]1CCCNCC1 ZINC001206581037 813363053 /nfs/dbraw/zinc/36/30/53/813363053.db2.gz HJHZJJCTCSFSLY-YVSFHVDLSA-N 1 3 262.441 3.051 20 0 CGADHO CC(C)N(Cc1cccc2c1NCC2)[C@H]1CCC[NH2+]CC1 ZINC001206599061 813370204 /nfs/dbraw/zinc/37/02/04/813370204.db2.gz NBOISCGNXQJGAD-KRWDZBQOSA-N 1 3 287.451 3.007 20 0 CGADHO [NH3+]C[C@H]1CCCCN(Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001206615152 813375306 /nfs/dbraw/zinc/37/53/06/813375306.db2.gz DGQDPOMIDXXJMI-GFCCVEGCSA-N 1 3 291.826 3.382 20 0 CGADHO C[NH+]1CCC(CN2CCC[C@H]2c2c(F)cccc2F)CC1 ZINC001207399614 813557311 /nfs/dbraw/zinc/55/73/11/813557311.db2.gz PFCOJQFQFJDZPW-INIZCTEOSA-N 1 3 294.389 3.444 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(C[C@H](C)c2ccccc2)CC1 ZINC001207914460 813672100 /nfs/dbraw/zinc/67/21/00/813672100.db2.gz URSNYRCPMFZWQA-KRWDZBQOSA-N 1 3 295.430 3.316 20 0 CGADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612645 813775090 /nfs/dbraw/zinc/77/50/90/813775090.db2.gz MYYNSJZJPMKPRG-GOEBONIOSA-N 1 3 292.854 3.471 20 0 CGADHO C[N@H+]1CCC[C@H](CN2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001208612645 813775093 /nfs/dbraw/zinc/77/50/93/813775093.db2.gz MYYNSJZJPMKPRG-GOEBONIOSA-N 1 3 292.854 3.471 20 0 CGADHO C[C@@H](CCN1CCN(CCC[NH+](C)C)CC1)CC(C)(C)C ZINC001208666464 813789696 /nfs/dbraw/zinc/78/96/96/813789696.db2.gz ULCLVOSLXDKERY-KRWDZBQOSA-N 1 3 297.531 3.018 20 0 CGADHO F[C@H]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450335 814047728 /nfs/dbraw/zinc/04/77/28/814047728.db2.gz GLPKXCSAGHKXCO-INIZCTEOSA-N 1 3 282.447 3.467 20 0 CGADHO CN(C)c1ccnc(C2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001242687733 823100113 /nfs/dbraw/zinc/10/01/13/823100113.db2.gz HRRJEYNJFBTCPG-HNNXBMFYSA-N 1 3 271.408 3.179 20 0 CGADHO C[C@@H]1C[C@H](Oc2ccc3ccccc3c2CN(C)C)CC[NH2+]1 ZINC001218057535 816078528 /nfs/dbraw/zinc/07/85/28/816078528.db2.gz SARBBJGAUBFXJM-GDBMZVCRSA-N 1 3 298.430 3.421 20 0 CGADHO C[C@H]1CC[C@H](Oc2ccc3ccccc3c2CN(C)C)C[NH2+]1 ZINC001218409584 816200517 /nfs/dbraw/zinc/20/05/17/816200517.db2.gz ZCSXKPBGZAPJNN-HOCLYGCPSA-N 1 3 298.430 3.421 20 0 CGADHO Cc1cccc(F)c1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222320708 816408849 /nfs/dbraw/zinc/40/88/49/816408849.db2.gz LLIATONFIIPRBX-KRWDZBQOSA-N 1 3 276.399 3.242 20 0 CGADHO CCCCOc1cccc(CN2CCC(F)(C[NH3+])CC2)c1 ZINC001222537966 816464453 /nfs/dbraw/zinc/46/44/53/816464453.db2.gz JTJOFHWRMCTTGR-UHFFFAOYSA-N 1 3 294.414 3.128 20 0 CGADHO CC/C=C\CC[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595582 816474830 /nfs/dbraw/zinc/47/48/30/816474830.db2.gz DEQSMKLZQMJXHI-LIMHQNJXSA-N 1 3 270.420 3.032 20 0 CGADHO CC/C=C\CC[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595582 816474836 /nfs/dbraw/zinc/47/48/36/816474836.db2.gz DEQSMKLZQMJXHI-LIMHQNJXSA-N 1 3 270.420 3.032 20 0 CGADHO Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615198 816478862 /nfs/dbraw/zinc/47/88/62/816478862.db2.gz MXEGDEYULMDEHW-NXNVCVFFSA-N 1 3 290.838 3.127 20 0 CGADHO Clc1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3CNCC[C@H]32)cc1 ZINC001222615198 816478863 /nfs/dbraw/zinc/47/88/63/816478863.db2.gz MXEGDEYULMDEHW-NXNVCVFFSA-N 1 3 290.838 3.127 20 0 CGADHO CC(C)(C)c1ccc(CN2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620472 816480830 /nfs/dbraw/zinc/48/08/30/816480830.db2.gz UKQGZLDCHZPAQL-DOTOQJQBSA-N 1 3 272.436 3.168 20 0 CGADHO CCCCc1ccc(C[NH+]2C[C@H]3CN(CC)C[C@@H]3C2)cc1 ZINC001231784253 818174195 /nfs/dbraw/zinc/17/41/95/818174195.db2.gz TZNORJKVKRQVBY-RTBURBONSA-N 1 3 286.463 3.413 20 0 CGADHO CC[NH+](CC)Cc1ccccc1-c1ccnc(CN)c1 ZINC001243337997 823351640 /nfs/dbraw/zinc/35/16/40/823351640.db2.gz QCWPHEICUCTZMC-UHFFFAOYSA-N 1 3 269.392 3.049 20 0 CGADHO Cc1sc2ccccc2c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031178 818985019 /nfs/dbraw/zinc/98/50/19/818985019.db2.gz DGRQYQSMKANMJL-KRWDZBQOSA-N 1 3 286.444 3.395 20 0 CGADHO Cc1cc(F)cc(CN2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC001235094823 819001635 /nfs/dbraw/zinc/00/16/35/819001635.db2.gz LXSSDHWADGLAMC-UHFFFAOYSA-N 1 3 296.817 3.363 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CCCC12CCNCC2 ZINC001235140738 819015523 /nfs/dbraw/zinc/01/55/23/819015523.db2.gz LTQRKZYXLBTLHX-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CCCC12CCNCC2 ZINC001235140738 819015531 /nfs/dbraw/zinc/01/55/31/819015531.db2.gz LTQRKZYXLBTLHX-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@@H](C[N@@H+]1CCCCC12CCNCC2)c1ccccc1 ZINC001235191033 819030226 /nfs/dbraw/zinc/03/02/26/819030226.db2.gz NZWKOMCEIDCLDY-INIZCTEOSA-N 1 3 272.436 3.398 20 0 CGADHO C[C@@H](C[N@H+]1CCCCC12CCNCC2)c1ccccc1 ZINC001235191033 819030230 /nfs/dbraw/zinc/03/02/30/819030230.db2.gz NZWKOMCEIDCLDY-INIZCTEOSA-N 1 3 272.436 3.398 20 0 CGADHO Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC001235192498 819031552 /nfs/dbraw/zinc/03/15/52/819031552.db2.gz BWRJKQTUQXZFIJ-NVXWUHKLSA-N 1 3 280.415 3.190 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209386 819036885 /nfs/dbraw/zinc/03/68/85/819036885.db2.gz NSTJYUIMPHQMMQ-OAGGEKHMSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235209386 819036888 /nfs/dbraw/zinc/03/68/88/819036888.db2.gz NSTJYUIMPHQMMQ-OAGGEKHMSA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)=CCCC1=CC[C@H](C[N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001235210603 819037001 /nfs/dbraw/zinc/03/70/01/819037001.db2.gz OLUIYJKCVDHIDJ-WNRNVDISSA-N 1 3 274.452 3.348 20 0 CGADHO CC(C)=CCCC1=CC[C@H](C[N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001235210603 819037006 /nfs/dbraw/zinc/03/70/06/819037006.db2.gz OLUIYJKCVDHIDJ-WNRNVDISSA-N 1 3 274.452 3.348 20 0 CGADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210046 819037147 /nfs/dbraw/zinc/03/71/47/819037147.db2.gz JIQDJXMARNSBFG-VIBAHUMZSA-N 1 3 286.463 3.052 20 0 CGADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210046 819037152 /nfs/dbraw/zinc/03/71/52/819037152.db2.gz JIQDJXMARNSBFG-VIBAHUMZSA-N 1 3 286.463 3.052 20 0 CGADHO CCc1ncc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235241100 819044801 /nfs/dbraw/zinc/04/48/01/819044801.db2.gz XWOAVKACFARLRB-OAHLLOKOSA-N 1 3 293.480 3.060 20 0 CGADHO Cc1c(C)c(C)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235266897 819056957 /nfs/dbraw/zinc/05/69/57/819056957.db2.gz HGWYXXVLYOWYLK-MJGOQNOKSA-N 1 3 286.463 3.413 20 0 CGADHO C[NH2+]CC1CCN(Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC001235677481 819138468 /nfs/dbraw/zinc/13/84/68/819138468.db2.gz GAXPQAODAZYWRB-UHFFFAOYSA-N 1 3 291.826 3.253 20 0 CGADHO CC(C)=CCC[C@H](C)CCN1CCCC2(C[NH2+]C2)C1 ZINC001235711551 819148659 /nfs/dbraw/zinc/14/86/59/819148659.db2.gz QSQZNHFZLQLSJT-INIZCTEOSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@@H+]1CCCC2(CNC2)C1 ZINC001235711551 819148662 /nfs/dbraw/zinc/14/86/62/819148662.db2.gz QSQZNHFZLQLSJT-INIZCTEOSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@H](C)CC[N@H+]1CCCC2(CNC2)C1 ZINC001235711551 819148664 /nfs/dbraw/zinc/14/86/64/819148664.db2.gz QSQZNHFZLQLSJT-INIZCTEOSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)c1ccc(C[C@@H](C)CN2CCC[C@H]2C[NH3+])cc1 ZINC001235724794 819153761 /nfs/dbraw/zinc/15/37/61/819153761.db2.gz JLFBEGFEQZVJLE-QAPCUYQASA-N 1 3 274.452 3.412 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CCN1CCC[C@H]1C[NH3+] ZINC001235726261 819154923 /nfs/dbraw/zinc/15/49/23/819154923.db2.gz VDBSZKBMVDOQKT-CABCVRRESA-N 1 3 270.461 3.031 20 0 CGADHO Cc1cccc(-c2ccc(CN3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC001235750651 819160316 /nfs/dbraw/zinc/16/03/16/819160316.db2.gz RCDDCXKBKFAFIX-KRWDZBQOSA-N 1 3 280.415 3.443 20 0 CGADHO Cc1cccc(-c2ccc(CN3CC[C@H](C[NH3+])C3)cc2)c1 ZINC001235750652 819160550 /nfs/dbraw/zinc/16/05/50/819160550.db2.gz RCDDCXKBKFAFIX-QGZVFWFLSA-N 1 3 280.415 3.443 20 0 CGADHO CCc1cccc2c(C[N@@H+](CC)C3CCNCC3)c[nH]c21 ZINC001235761676 819162074 /nfs/dbraw/zinc/16/20/74/819162074.db2.gz OKFOIVXSUXYHBE-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO CCc1cccc2c(C[N@H+](CC)C3CCNCC3)c[nH]c21 ZINC001235761676 819162076 /nfs/dbraw/zinc/16/20/76/819162076.db2.gz OKFOIVXSUXYHBE-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO CCc1cccc2c(CN(CC)C3CC[NH2+]CC3)c[nH]c21 ZINC001235761676 819162077 /nfs/dbraw/zinc/16/20/77/819162077.db2.gz OKFOIVXSUXYHBE-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO [NH3+]CC[C@@H]1CCCN1Cc1cc2ccccc2s1 ZINC001235925711 819224192 /nfs/dbraw/zinc/22/41/92/819224192.db2.gz XZAXARFLPJGTIR-ZDUSSCGKSA-N 1 3 260.406 3.215 20 0 CGADHO CCCCc1ccc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235939113 819233093 /nfs/dbraw/zinc/23/30/93/819233093.db2.gz NVCLPERFKTXERM-QZTJIDSGSA-N 1 3 272.436 3.071 20 0 CGADHO N[C@]12CC[C@@H]1C[N@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980953 819256667 /nfs/dbraw/zinc/25/66/67/819256667.db2.gz SOWSDAFNDRMSOP-HIFRSBDPSA-N 1 3 298.352 3.061 20 0 CGADHO N[C@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1C(F)(F)F)C2 ZINC001235980953 819256669 /nfs/dbraw/zinc/25/66/69/819256669.db2.gz SOWSDAFNDRMSOP-HIFRSBDPSA-N 1 3 298.352 3.061 20 0 CGADHO [NH3+]CCCCCCN1CCc2cccc(Cl)c2C1 ZINC001236079064 819304242 /nfs/dbraw/zinc/30/42/42/819304242.db2.gz OKFXYFKJVOCCOX-UHFFFAOYSA-N 1 3 266.816 3.217 20 0 CGADHO CCC[N@H+](Cc1ccc(OC)c(C)c1C)C1CCNCC1 ZINC001236180126 819358547 /nfs/dbraw/zinc/35/85/47/819358547.db2.gz BATMNBMSWRFRKN-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCC[N@@H+](Cc1ccc(OC)c(C)c1C)C1CCNCC1 ZINC001236180126 819358553 /nfs/dbraw/zinc/35/85/53/819358553.db2.gz BATMNBMSWRFRKN-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO CCCN(Cc1ccc(OC)c(C)c1C)C1CC[NH2+]CC1 ZINC001236180126 819358561 /nfs/dbraw/zinc/35/85/61/819358561.db2.gz BATMNBMSWRFRKN-UHFFFAOYSA-N 1 3 290.451 3.276 20 0 CGADHO C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1N ZINC001236213220 819375746 /nfs/dbraw/zinc/37/57/46/819375746.db2.gz AMKRQCKUOCFITC-ZWKOTPCHSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCC[C@@H]1N ZINC001236213220 819375752 /nfs/dbraw/zinc/37/57/52/819375752.db2.gz AMKRQCKUOCFITC-ZWKOTPCHSA-N 1 3 283.419 3.179 20 0 CGADHO c1csc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236373418 819442891 /nfs/dbraw/zinc/44/28/91/819442891.db2.gz HNZWYRNXKVWQKY-AWEZNQCLSA-N 1 3 278.465 3.492 20 0 CGADHO Cc1c[nH]c(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1C ZINC001236376575 819443173 /nfs/dbraw/zinc/44/31/73/819443173.db2.gz TYXYNQYNXOOQEE-MRXNPFEDSA-N 1 3 289.467 3.376 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@@H+]1CCCc1ccc(Cl)cc1 ZINC001236415423 819461113 /nfs/dbraw/zinc/46/11/13/819461113.db2.gz OCYUHBMZGFCIQC-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@H]1[C@H](N)CCC[N@H+]1CCCc1ccc(Cl)cc1 ZINC001236415423 819461118 /nfs/dbraw/zinc/46/11/18/819461118.db2.gz OCYUHBMZGFCIQC-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO COc1ccc(C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236439040 819479487 /nfs/dbraw/zinc/47/94/87/819479487.db2.gz DTWFQCHCWLZYEB-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO COc1ccc(C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001236439040 819479491 /nfs/dbraw/zinc/47/94/91/819479491.db2.gz DTWFQCHCWLZYEB-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO COc1ccc(CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236439040 819479494 /nfs/dbraw/zinc/47/94/94/819479494.db2.gz DTWFQCHCWLZYEB-UHFFFAOYSA-N 1 3 290.451 3.295 20 0 CGADHO CC(C)(C)CN(Cc1cccs1)C1CC[NH2+]CC1 ZINC001236456253 819485262 /nfs/dbraw/zinc/48/52/62/819485262.db2.gz AOQQLAPWVZGADM-UHFFFAOYSA-N 1 3 266.454 3.348 20 0 CGADHO CC(C)(C)C[N@H+](Cc1cccs1)C1CCNCC1 ZINC001236456253 819485265 /nfs/dbraw/zinc/48/52/65/819485265.db2.gz AOQQLAPWVZGADM-UHFFFAOYSA-N 1 3 266.454 3.348 20 0 CGADHO CC(C)(C)C[N@@H+](Cc1cccs1)C1CCNCC1 ZINC001236456253 819485267 /nfs/dbraw/zinc/48/52/67/819485267.db2.gz AOQQLAPWVZGADM-UHFFFAOYSA-N 1 3 266.454 3.348 20 0 CGADHO c1cc2c(cccc2CN(C[C@H]2CCC[NH2+]C2)C2CC2)o1 ZINC001236600397 819549203 /nfs/dbraw/zinc/54/92/03/819549203.db2.gz HXQHCCCHEFHJIO-AWEZNQCLSA-N 1 3 284.403 3.397 20 0 CGADHO CCCN(Cc1cc(C)c(OC)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236833304 819613537 /nfs/dbraw/zinc/61/35/37/819613537.db2.gz ADHBJDOLFQFFHT-MRXNPFEDSA-N 1 3 290.451 3.134 20 0 CGADHO CCCN(Cc1cccc(OC(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236833483 819613928 /nfs/dbraw/zinc/61/39/28/819613928.db2.gz CCSJFLFDCNHPQN-KRWDZBQOSA-N 1 3 290.451 3.295 20 0 CGADHO CCCN(Cc1ccc2cc(O)ccc2c1)C[C@H]1CC[NH2+]C1 ZINC001236835377 819614507 /nfs/dbraw/zinc/61/45/07/819614507.db2.gz MKFWTUYMCYXUPU-INIZCTEOSA-N 1 3 298.430 3.367 20 0 CGADHO CCCN(Cc1ccc(C)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836818 819616406 /nfs/dbraw/zinc/61/64/06/819616406.db2.gz YCWSJEVSYWIGKW-INIZCTEOSA-N 1 3 260.425 3.125 20 0 CGADHO CC[C@H](N)C[N@H+](C)CCCc1ccccc1C(F)(F)F ZINC001236859778 819625079 /nfs/dbraw/zinc/62/50/79/819625079.db2.gz MPDXZZIZYZGXRI-ZDUSSCGKSA-N 1 3 288.357 3.307 20 0 CGADHO CC[C@H](N)C[N@@H+](C)CCCc1ccccc1C(F)(F)F ZINC001236859778 819625080 /nfs/dbraw/zinc/62/50/80/819625080.db2.gz MPDXZZIZYZGXRI-ZDUSSCGKSA-N 1 3 288.357 3.307 20 0 CGADHO CC[C@H](N)C[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC001236869552 819627330 /nfs/dbraw/zinc/62/73/30/819627330.db2.gz LPCUHMRDGCIIED-HNNXBMFYSA-N 1 3 256.393 3.317 20 0 CGADHO CC[C@H](N)C[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC001236869552 819627332 /nfs/dbraw/zinc/62/73/32/819627332.db2.gz LPCUHMRDGCIIED-HNNXBMFYSA-N 1 3 256.393 3.317 20 0 CGADHO C[C@]1(CN)CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC001237056356 819655518 /nfs/dbraw/zinc/65/55/18/819655518.db2.gz ICXNCLAGWRKYLO-MRXNPFEDSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@]1(CN)CCC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC001237056356 819655525 /nfs/dbraw/zinc/65/55/25/819655525.db2.gz ICXNCLAGWRKYLO-MRXNPFEDSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@]1(C[NH3+])CCCN(CCCc2ccc(Cl)cc2)C1 ZINC001237056356 819655529 /nfs/dbraw/zinc/65/55/29/819655529.db2.gz ICXNCLAGWRKYLO-MRXNPFEDSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078811 819662000 /nfs/dbraw/zinc/66/20/00/819662000.db2.gz RVUGKJUXEXYZKO-CUBALJKWSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@@H](N)C[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001237078811 819662005 /nfs/dbraw/zinc/66/20/05/819662005.db2.gz RVUGKJUXEXYZKO-CUBALJKWSA-N 1 3 278.827 3.113 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@H]2C1 ZINC001237107028 819668370 /nfs/dbraw/zinc/66/83/70/819668370.db2.gz KVHASDLHKXJHQU-RTBURBONSA-N 1 3 284.447 3.338 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(F)cc(OCC)c1 ZINC001237922785 819886187 /nfs/dbraw/zinc/88/61/87/819886187.db2.gz IDXPYXJMNKZVLQ-UHFFFAOYSA-N 1 3 296.430 3.388 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(F)cc(OCC)c1 ZINC001237922785 819886194 /nfs/dbraw/zinc/88/61/94/819886194.db2.gz IDXPYXJMNKZVLQ-UHFFFAOYSA-N 1 3 296.430 3.388 20 0 CGADHO CC[NH+](CC)Cc1cc(OC)ccc1C1=CCN(C)CC1 ZINC001241333781 821740787 /nfs/dbraw/zinc/74/07/87/821740787.db2.gz YIPOGUSGFXGEAY-UHFFFAOYSA-N 1 3 288.435 3.256 20 0 CGADHO C[NH+](C)CCOc1ccc(-c2cncc3cc[nH]c32)cc1 ZINC001242150708 822895211 /nfs/dbraw/zinc/89/52/11/822895211.db2.gz WBGJTXDCILKPKQ-UHFFFAOYSA-N 1 3 281.359 3.170 20 0 CGADHO C[NH2+][C@H](C)CCN[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC001345483479 936812065 /nfs/dbraw/zinc/81/20/65/936812065.db2.gz SCOOTYFXWIYGPT-JHJVBQTASA-N 1 3 291.464 3.376 20 0 CGADHO CCOc1ccc(CC[N@H+](C)CC[C@@H]2CCCN2C)cc1 ZINC001460919355 937553616 /nfs/dbraw/zinc/55/36/16/937553616.db2.gz RYGPHHZZGLXSPF-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO CCOc1ccc(CC[N@@H+](C)CC[C@@H]2CCCN2C)cc1 ZINC001460919355 937553619 /nfs/dbraw/zinc/55/36/19/937553619.db2.gz RYGPHHZZGLXSPF-KRWDZBQOSA-N 1 3 290.451 3.044 20 0 CGADHO C1=C2CCC[N@@H+](CC3CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 ZINC000299831793 931985052 /nfs/dbraw/zinc/98/50/52/931985052.db2.gz RWXHLTNBBLVFLY-WJFTUGDTSA-N 1 3 286.463 3.291 20 0 CGADHO C1=C2CCC[N@H+](CC3CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 ZINC000299831793 931985058 /nfs/dbraw/zinc/98/50/58/931985058.db2.gz RWXHLTNBBLVFLY-WJFTUGDTSA-N 1 3 286.463 3.291 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC001461257341 937572931 /nfs/dbraw/zinc/57/29/31/937572931.db2.gz PIHDKNWBICMYQX-BJESKFFQSA-N 1 3 276.399 3.301 20 0 CGADHO CCc1ccc(CNCCC2CC[NH+](C(C)C)CC2)o1 ZINC001461668384 937590958 /nfs/dbraw/zinc/59/09/58/937590958.db2.gz CLVAQVJFJPTUMW-UHFFFAOYSA-N 1 3 278.440 3.442 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)C[C@H]1C ZINC001461773008 937596543 /nfs/dbraw/zinc/59/65/43/937596543.db2.gz AHWBRUQDIVMUTP-XYVMCAHJSA-N 1 3 289.467 3.489 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)CC1 ZINC001334200096 932765716 /nfs/dbraw/zinc/76/57/16/932765716.db2.gz CJTQKAUMHUCDCQ-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CC2CCC3(CC3)CC2)CC1 ZINC001334200096 932765719 /nfs/dbraw/zinc/76/57/19/932765719.db2.gz CJTQKAUMHUCDCQ-INIZCTEOSA-N 1 3 264.457 3.373 20 0 CGADHO CCCCC[C@H]1CCCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC001307949542 933025510 /nfs/dbraw/zinc/02/55/10/933025510.db2.gz HFQBSJZRNPVNMB-DLBZAZTESA-N 1 3 284.488 3.122 20 0 CGADHO CCCCC[C@H]1CCCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC001307949542 933025514 /nfs/dbraw/zinc/02/55/14/933025514.db2.gz HFQBSJZRNPVNMB-DLBZAZTESA-N 1 3 284.488 3.122 20 0 CGADHO C/C=C\C[C@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC001307973537 933029522 /nfs/dbraw/zinc/02/95/22/933029522.db2.gz FIFHSUCYKUYSNQ-OUOZUETKSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C\C[C@H]1CCC[N@@H+](CCCN(CC)CC)C1 ZINC001307973537 933029524 /nfs/dbraw/zinc/02/95/24/933029524.db2.gz FIFHSUCYKUYSNQ-OUOZUETKSA-N 1 3 252.446 3.397 20 0 CGADHO C/C=C\C[C@H]1CCC[N@H+](CCCN(CC)CC)C1 ZINC001307973537 933029528 /nfs/dbraw/zinc/02/95/28/933029528.db2.gz FIFHSUCYKUYSNQ-OUOZUETKSA-N 1 3 252.446 3.397 20 0 CGADHO CC[C@H](C[NH2+]C[C@H]1CN2CCC1CC2)c1ccccc1 ZINC001462633298 937655200 /nfs/dbraw/zinc/65/52/00/937655200.db2.gz GKVZHSKGAXHSAR-QAPCUYQASA-N 1 3 272.436 3.112 20 0 CGADHO COc1cc(C[NH2+]CC[C@H](C)N(C)C)cc2ccccc21 ZINC001308478295 933116987 /nfs/dbraw/zinc/11/69/87/933116987.db2.gz HQVULCZYDUZJRE-AWEZNQCLSA-N 1 3 286.419 3.278 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CSC[C@H]1C)C1CCCCC1 ZINC001308850735 933189425 /nfs/dbraw/zinc/18/94/25/933189425.db2.gz KAHHLAODZLSPHH-GDBMZVCRSA-N 1 3 284.513 3.372 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CSC[C@H]1C)C1CCCCC1 ZINC001308850735 933189428 /nfs/dbraw/zinc/18/94/28/933189428.db2.gz KAHHLAODZLSPHH-GDBMZVCRSA-N 1 3 284.513 3.372 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)N(C)C ZINC001308882610 933196036 /nfs/dbraw/zinc/19/60/36/933196036.db2.gz LTTXYIIQWAFTGW-NJAFHUGGSA-N 1 3 274.452 3.328 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001308987702 933223361 /nfs/dbraw/zinc/22/33/61/933223361.db2.gz LRBUUKQDJPZSRN-UQPPLGOBSA-N 1 3 282.472 3.044 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)nc2C)C1 ZINC001319743181 933925557 /nfs/dbraw/zinc/92/55/57/933925557.db2.gz FQOVHYXEBCAGTR-GOEBONIOSA-N 1 3 275.440 3.081 20 0 CGADHO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC001474757100 934176820 /nfs/dbraw/zinc/17/68/20/934176820.db2.gz QBMQJEDJDFHDSP-IPMKNSEASA-N 1 3 286.463 3.282 20 0 CGADHO CCCN1CCC([NH2+]C/C=C\c2ccccc2OC)CC1 ZINC001473915780 937829810 /nfs/dbraw/zinc/82/98/10/937829810.db2.gz JWCRFPSYFQPEFZ-VURMDHGXSA-N 1 3 288.435 3.172 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001474301157 937849518 /nfs/dbraw/zinc/84/95/18/937849518.db2.gz GIXFJROFOCQOQH-NHHFINERSA-N 1 3 278.484 3.379 20 0 CGADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCc3ccsc32)C1 ZINC001549546927 938157791 /nfs/dbraw/zinc/15/77/91/938157791.db2.gz OAGQTRQGLRETEQ-TZMCWYRMSA-N 1 3 264.438 3.057 20 0 CGADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCc3ccsc32)C1 ZINC001549546927 938157792 /nfs/dbraw/zinc/15/77/92/938157792.db2.gz OAGQTRQGLRETEQ-TZMCWYRMSA-N 1 3 264.438 3.057 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@]23CCC[C@@H]2OCC3)CC1 ZINC001550953125 938173051 /nfs/dbraw/zinc/17/30/51/938173051.db2.gz HWHPXGDWUIPPKV-ROUUACIJSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)CC[C@@H]1N ZINC001552411995 938191898 /nfs/dbraw/zinc/19/18/98/938191898.db2.gz AMQJNEAXGOQMKL-LMSBXDPUSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)CC[C@@H]1N ZINC001552411995 938191899 /nfs/dbraw/zinc/19/18/99/938191899.db2.gz AMQJNEAXGOQMKL-LMSBXDPUSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC[C@H](c2ccccc2)C1 ZINC001552414271 938192138 /nfs/dbraw/zinc/19/21/38/938192138.db2.gz MTYSIEAMUQYNKA-XYVMCAHJSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC[C@H](c2ccccc2)C1 ZINC001552414271 938192139 /nfs/dbraw/zinc/19/21/39/938192139.db2.gz MTYSIEAMUQYNKA-XYVMCAHJSA-N 1 3 272.436 3.382 20 0 CGADHO [NH3+][C@@H]1CCCC[C@@H]1NC[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001552895542 938194969 /nfs/dbraw/zinc/19/49/69/938194969.db2.gz NFLCMIFNFDCKOH-BDXSIMOUSA-N 1 3 288.435 3.156 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2C[C@@H]2c2ccccc2F)C1 ZINC001553292079 938198002 /nfs/dbraw/zinc/19/80/02/938198002.db2.gz QYIRUNRFELSAMF-BJJXKVORSA-N 1 3 276.399 3.049 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814088 938277760 /nfs/dbraw/zinc/27/77/60/938277760.db2.gz OXFAAXIKYQHVBB-MJGOQNOKSA-N 1 3 284.447 3.091 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCC3)C1 ZINC001560814088 938277761 /nfs/dbraw/zinc/27/77/61/938277761.db2.gz OXFAAXIKYQHVBB-MJGOQNOKSA-N 1 3 284.447 3.091 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001561055730 938292600 /nfs/dbraw/zinc/29/26/00/938292600.db2.gz VKWGXOLQCCPMNW-VRKREXBASA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCCN2)CS1 ZINC001575119411 962350379 /nfs/dbraw/zinc/35/03/79/962350379.db2.gz JLPDCCMMTNPXNH-RDBSUJKOSA-N 1 3 270.486 3.028 20 0 CGADHO CC(C)(C)OC1CC([N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)C1 ZINC001575248359 962355375 /nfs/dbraw/zinc/35/53/75/962355375.db2.gz WRWFPEJWYLGYOB-KVULBXGLSA-N 1 3 282.472 3.029 20 0 CGADHO CC(C)(C)OC1CC([N@H+]2CC[C@@](CN)(C(C)(C)C)C2)C1 ZINC001575248359 962355394 /nfs/dbraw/zinc/35/53/94/962355394.db2.gz WRWFPEJWYLGYOB-KVULBXGLSA-N 1 3 282.472 3.029 20 0 CGADHO C[C@@H](c1ncc(-c2ccccc2)o1)N(C)CC1CC[NH2+]CC1 ZINC001576316737 962444700 /nfs/dbraw/zinc/44/47/00/962444700.db2.gz SLLWYBWXRQLYSF-AWEZNQCLSA-N 1 3 299.418 3.334 20 0 CGADHO C[C@]1(CN)CC[N@H+](CCCCc2cccc(Cl)c2)C1 ZINC001576503385 962468278 /nfs/dbraw/zinc/46/82/78/962468278.db2.gz RNGIQBDUKLUCQV-MRXNPFEDSA-N 1 3 280.843 3.333 20 0 CGADHO C[C@]1(CN)CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC001576503385 962468290 /nfs/dbraw/zinc/46/82/90/962468290.db2.gz RNGIQBDUKLUCQV-MRXNPFEDSA-N 1 3 280.843 3.333 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556839 962470194 /nfs/dbraw/zinc/47/01/94/962470194.db2.gz UFABNNOGJDHFMS-QAETUUGQSA-N 1 3 262.441 3.040 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC001576556839 962470203 /nfs/dbraw/zinc/47/02/03/962470203.db2.gz UFABNNOGJDHFMS-QAETUUGQSA-N 1 3 262.441 3.040 20 0 CGADHO CCC(C)(C)CC[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001576941357 962501472 /nfs/dbraw/zinc/50/14/72/962501472.db2.gz FXWDOJZJXNVYSK-ZBFHGGJFSA-N 1 3 252.446 3.264 20 0 CGADHO CCC(C)(C)CC[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001576941357 962501486 /nfs/dbraw/zinc/50/14/86/962501486.db2.gz FXWDOJZJXNVYSK-ZBFHGGJFSA-N 1 3 252.446 3.264 20 0 CGADHO COc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001579216095 962610553 /nfs/dbraw/zinc/61/05/53/962610553.db2.gz CATUIIRJUYYNMW-LSDHHAIUSA-N 1 3 298.430 3.326 20 0 CGADHO CSCC[C@H](C)[N@@H+](C)C[C@@H](N)CCC(C)(C)C ZINC001579370871 962622061 /nfs/dbraw/zinc/62/20/61/962622061.db2.gz SXCYPONJDTWZNM-STQMWFEESA-N 1 3 260.491 3.213 20 0 CGADHO CSCC[C@H](C)[N@H+](C)C[C@@H](N)CCC(C)(C)C ZINC001579370871 962622049 /nfs/dbraw/zinc/62/20/49/962622049.db2.gz SXCYPONJDTWZNM-STQMWFEESA-N 1 3 260.491 3.213 20 0 CGADHO Cc1cc(C)cc(CC[NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)c1 ZINC001579580350 962637818 /nfs/dbraw/zinc/63/78/18/962637818.db2.gz WCTAINMVAOFXFM-OKZBNKHCSA-N 1 3 286.463 3.212 20 0 CGADHO Cc1cc(C)cc(CCN[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC001579580350 962637835 /nfs/dbraw/zinc/63/78/35/962637835.db2.gz WCTAINMVAOFXFM-OKZBNKHCSA-N 1 3 286.463 3.212 20 0 CGADHO Cc1ncc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)o1 ZINC001579875686 962681683 /nfs/dbraw/zinc/68/16/83/962681683.db2.gz ICAFVZRKKIOCFX-WMLDXEAASA-N 1 3 291.439 3.103 20 0 CGADHO NC[C@]12C[N@H+](CCC3=CCCCC3)C[C@H]1CCCC2 ZINC001580256905 962706326 /nfs/dbraw/zinc/70/63/26/962706326.db2.gz ZPRAQWDPWNOUCR-IAGOWNOFSA-N 1 3 262.441 3.328 20 0 CGADHO NC[C@]12C[N@@H+](CCC3=CCCCC3)C[C@H]1CCCC2 ZINC001580256905 962706342 /nfs/dbraw/zinc/70/63/42/962706342.db2.gz ZPRAQWDPWNOUCR-IAGOWNOFSA-N 1 3 262.441 3.328 20 0 CGADHO CCC1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000651610226 398258385 /nfs/dbraw/zinc/25/83/85/398258385.db2.gz KJBCZRVGSRISEX-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO CCCc1ccc(C[N@H+](C)CC2CCN(C)CC2)s1 ZINC000621715060 349561409 /nfs/dbraw/zinc/56/14/09/349561409.db2.gz JFRLJRRVYZHJJT-UHFFFAOYSA-N 1 3 280.481 3.474 20 0 CGADHO CCCc1ccc(C[N@@H+](C)CC2CCN(C)CC2)s1 ZINC000621715060 349561412 /nfs/dbraw/zinc/56/14/12/349561412.db2.gz JFRLJRRVYZHJJT-UHFFFAOYSA-N 1 3 280.481 3.474 20 0 CGADHO N[C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784055 349586396 /nfs/dbraw/zinc/58/63/96/349586396.db2.gz JAKGDHXLGATLDG-LYRGGWFBSA-N 1 3 276.811 3.141 20 0 CGADHO N[C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000621784055 349586399 /nfs/dbraw/zinc/58/63/99/349586399.db2.gz JAKGDHXLGATLDG-LYRGGWFBSA-N 1 3 276.811 3.141 20 0 CGADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000651741411 398279652 /nfs/dbraw/zinc/27/96/52/398279652.db2.gz JGRYUANGXCUZER-DLBZAZTESA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000651741411 398279654 /nfs/dbraw/zinc/27/96/54/398279654.db2.gz JGRYUANGXCUZER-DLBZAZTESA-N 1 3 298.515 3.395 20 0 CGADHO COC[C@@H](CC(C)(C)C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000651741411 398279657 /nfs/dbraw/zinc/27/96/57/398279657.db2.gz JGRYUANGXCUZER-DLBZAZTESA-N 1 3 298.515 3.395 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCC1 ZINC000449252077 529592939 /nfs/dbraw/zinc/59/29/39/529592939.db2.gz PVOJFECSYRVSDB-SFHVURJKSA-N 1 3 287.451 3.466 20 0 CGADHO CC[C@H](NCC1=CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423345366 529593356 /nfs/dbraw/zinc/59/33/56/529593356.db2.gz NUDYAUNQFGNZKB-AWEZNQCLSA-N 1 3 296.361 3.248 20 0 CGADHO CCc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422752895 529629965 /nfs/dbraw/zinc/62/99/65/529629965.db2.gz HUAJORGDZWJAIO-GUDVDZBRSA-N 1 3 286.463 3.302 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@H]1C[C@@H]1C ZINC000414065603 529631360 /nfs/dbraw/zinc/63/13/60/529631360.db2.gz HEPBWTJUPLLDGA-WBAXXEDZSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1C[C@@H]1C ZINC000414087277 529613289 /nfs/dbraw/zinc/61/32/89/529613289.db2.gz ABFCHZDAADHJPS-NXOAAHMSSA-N 1 3 266.473 3.379 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000126195258 187223238 /nfs/dbraw/zinc/22/32/38/187223238.db2.gz XFCZSWLVXVTKRB-OVWQWFNUSA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@@H](C)CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000126195258 187223239 /nfs/dbraw/zinc/22/32/39/187223239.db2.gz XFCZSWLVXVTKRB-OVWQWFNUSA-N 1 3 290.451 3.081 20 0 CGADHO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000126562138 187247657 /nfs/dbraw/zinc/24/76/57/187247657.db2.gz DTVWCPCIQTWDFJ-RCCFBDPRSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126562138 187247659 /nfs/dbraw/zinc/24/76/59/187247659.db2.gz DTVWCPCIQTWDFJ-RCCFBDPRSA-N 1 3 272.436 3.224 20 0 CGADHO CC[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126562138 187247661 /nfs/dbraw/zinc/24/76/61/187247661.db2.gz DTVWCPCIQTWDFJ-RCCFBDPRSA-N 1 3 272.436 3.224 20 0 CGADHO CCc1ccc([C@H](C)NCCC[C@@H]2CCC[NH2+]2)o1 ZINC000423476228 529721255 /nfs/dbraw/zinc/72/12/55/529721255.db2.gz ITDFZAIXMIJXGF-QWHCGFSZSA-N 1 3 250.386 3.025 20 0 CGADHO CCc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423406150 529722362 /nfs/dbraw/zinc/72/23/62/529722362.db2.gz YQJRLCGPLVNZGF-TUAOUCFPSA-N 1 3 252.427 3.231 20 0 CGADHO CCCC[C@H](COC)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422762135 282961244 /nfs/dbraw/zinc/96/12/44/282961244.db2.gz RSYAKFCKZCIKHU-HRCADAONSA-N 1 3 270.461 3.092 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657259 349858583 /nfs/dbraw/zinc/85/85/83/349858583.db2.gz MIEASSJFFVTZBM-IAGOWNOFSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1cccc2[nH]c(C[NH2+]C[C@H]3CCCCN(C)C3)cc21 ZINC000623657691 349859525 /nfs/dbraw/zinc/85/95/25/349859525.db2.gz WRAFLNXWONOEKF-OAHLLOKOSA-N 1 3 285.435 3.298 20 0 CGADHO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623657394 349859590 /nfs/dbraw/zinc/85/95/90/349859590.db2.gz PTFFLYYSWYNQKA-BZUAXINKSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657557 349860199 /nfs/dbraw/zinc/86/01/99/349860199.db2.gz UKRUSLULPNSACV-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000128046324 187348531 /nfs/dbraw/zinc/34/85/31/187348531.db2.gz CZAPBSGIJZWERC-AEGPPILISA-N 1 3 278.465 3.204 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000128046324 187348533 /nfs/dbraw/zinc/34/85/33/187348533.db2.gz CZAPBSGIJZWERC-AEGPPILISA-N 1 3 278.465 3.204 20 0 CGADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411174174 529984504 /nfs/dbraw/zinc/98/45/04/529984504.db2.gz OGZVRHSPEAFLNJ-UHFFFAOYSA-N 1 3 258.409 3.267 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000423279965 529999341 /nfs/dbraw/zinc/99/93/41/529999341.db2.gz TVLSVYHKJGIEFX-LPHOPBHVSA-N 1 3 282.431 3.416 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423270292 529999588 /nfs/dbraw/zinc/99/95/88/529999588.db2.gz HQDPDXQHFDEHAR-JGGQBBKZSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423270292 529999589 /nfs/dbraw/zinc/99/95/89/529999589.db2.gz HQDPDXQHFDEHAR-JGGQBBKZSA-N 1 3 280.843 3.421 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000355040617 530051180 /nfs/dbraw/zinc/05/11/80/530051180.db2.gz PUOTXDSHJKLVQU-QZTJIDSGSA-N 1 3 284.447 3.350 20 0 CGADHO CN1CCC2(CCC[N@H+]2C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000355040617 530051181 /nfs/dbraw/zinc/05/11/81/530051181.db2.gz PUOTXDSHJKLVQU-QZTJIDSGSA-N 1 3 284.447 3.350 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cc(C)oc2C)CC1 ZINC000044517656 345012050 /nfs/dbraw/zinc/01/20/50/345012050.db2.gz LTZDLSATGATEFF-CYBMUJFWSA-N 1 3 264.413 3.279 20 0 CGADHO CC[NH+]1CCC(CNCc2cc3ccccc3o2)CC1 ZINC000044517635 345012077 /nfs/dbraw/zinc/01/20/77/345012077.db2.gz MGZLWUMGZTVZIG-UHFFFAOYSA-N 1 3 272.392 3.254 20 0 CGADHO CN1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000044533029 345012740 /nfs/dbraw/zinc/01/27/40/345012740.db2.gz OQVGHKJGZHKJTH-LLVKDONJSA-N 1 3 287.234 3.425 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000044534877 345012806 /nfs/dbraw/zinc/01/28/06/345012806.db2.gz YMHFVIBZFIBHSO-CHWSQXEVSA-N 1 3 266.816 3.332 20 0 CGADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000044534877 345012809 /nfs/dbraw/zinc/01/28/09/345012809.db2.gz YMHFVIBZFIBHSO-CHWSQXEVSA-N 1 3 266.816 3.332 20 0 CGADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(C)C)C2)s1 ZINC000045135187 345021214 /nfs/dbraw/zinc/02/12/14/345021214.db2.gz XBCDBTMPGWBPPO-CYBMUJFWSA-N 1 3 266.454 3.130 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000079987825 345661346 /nfs/dbraw/zinc/66/13/46/345661346.db2.gz FDHQRQKVQQUVGN-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000156290838 232228123 /nfs/dbraw/zinc/22/81/23/232228123.db2.gz PWWKXQLCRGWCFG-CSMYWGQOSA-N 1 3 276.399 3.349 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000156290838 232228126 /nfs/dbraw/zinc/22/81/26/232228126.db2.gz PWWKXQLCRGWCFG-CSMYWGQOSA-N 1 3 276.399 3.349 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCN(C(C)C)C1)c1cccnc1 ZINC000091333256 345811038 /nfs/dbraw/zinc/81/10/38/345811038.db2.gz WWAKIAWKINDWBG-WMZOPIPTSA-N 1 3 289.467 3.489 20 0 CGADHO CCCC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000090399512 345787451 /nfs/dbraw/zinc/78/74/51/345787451.db2.gz WQDLQQLOXLXVJR-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090399512 345787454 /nfs/dbraw/zinc/78/74/54/345787454.db2.gz WQDLQQLOXLXVJR-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090399512 345787456 /nfs/dbraw/zinc/78/74/56/345787456.db2.gz WQDLQQLOXLXVJR-HUUCEWRRSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000092739325 345855095 /nfs/dbraw/zinc/85/50/95/345855095.db2.gz VNBFKLIDMFCASU-CVEARBPZSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000092739325 345855098 /nfs/dbraw/zinc/85/50/98/345855098.db2.gz VNBFKLIDMFCASU-CVEARBPZSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)CN1CCCC1 ZINC000163422046 232257417 /nfs/dbraw/zinc/25/74/17/232257417.db2.gz YWLTXXZOLHCCJH-CHWSQXEVSA-N 1 3 280.378 3.429 20 0 CGADHO COC[C@@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000173896974 232290652 /nfs/dbraw/zinc/29/06/52/232290652.db2.gz QOIKSQZERORKMR-MRXNPFEDSA-N 1 3 290.451 3.043 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000108428193 345937424 /nfs/dbraw/zinc/93/74/24/345937424.db2.gz MRSCCJHSZDMJCS-JMPLCFMRSA-N 1 3 258.409 3.021 20 0 CGADHO C/C(=C\c1ccccc1)CNC[C@@H]1CCC[N@H+](C)C1 ZINC000108428193 345937426 /nfs/dbraw/zinc/93/74/26/345937426.db2.gz MRSCCJHSZDMJCS-JMPLCFMRSA-N 1 3 258.409 3.021 20 0 CGADHO CC[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000181117983 346255072 /nfs/dbraw/zinc/25/50/72/346255072.db2.gz ZVEIFZHGXYEMEN-JYJNAYRXSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000181117983 346255075 /nfs/dbraw/zinc/25/50/75/346255075.db2.gz ZVEIFZHGXYEMEN-JYJNAYRXSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000181117983 346255079 /nfs/dbraw/zinc/25/50/79/346255079.db2.gz ZVEIFZHGXYEMEN-JYJNAYRXSA-N 1 3 252.446 3.371 20 0 CGADHO CC[C@H](C)[N@H+]1CCC[C@H](CN2CCCC[C@@H]2C)C1 ZINC000181117983 346255081 /nfs/dbraw/zinc/25/50/81/346255081.db2.gz ZVEIFZHGXYEMEN-JYJNAYRXSA-N 1 3 252.446 3.371 20 0 CGADHO C([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000624032795 349950899 /nfs/dbraw/zinc/95/08/99/349950899.db2.gz ZHQXUBMGCZSLIJ-OWCLPIDISA-N 1 3 276.468 3.419 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000300138334 346436123 /nfs/dbraw/zinc/43/61/23/346436123.db2.gz NBOHJGHOJFWTML-QLFBSQMISA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C(C)(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000600801821 347837862 /nfs/dbraw/zinc/83/78/62/347837862.db2.gz GHKYKTRQFIXACN-UHFFFAOYSA-N 1 3 278.440 3.151 20 0 CGADHO CCc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000450324666 288523413 /nfs/dbraw/zinc/52/34/13/288523413.db2.gz QSEAOGBORIDMIG-KRWDZBQOSA-N 1 3 273.424 3.099 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121230 349978771 /nfs/dbraw/zinc/97/87/71/349978771.db2.gz QNEGJVCMDXZCPZ-HUUCEWRRSA-N 1 3 280.481 3.391 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000624121354 349978798 /nfs/dbraw/zinc/97/87/98/349978798.db2.gz ULZFMXJQAVHLTQ-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000624121545 349980614 /nfs/dbraw/zinc/98/06/14/349980614.db2.gz XUIAHKYOGOYFIR-GUYCJALGSA-N 1 3 276.399 3.135 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000624122530 349982012 /nfs/dbraw/zinc/98/20/12/349982012.db2.gz UBONHGIWYAFMBF-PVAVHDDUSA-N 1 3 264.457 3.277 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCCC1 ZINC000624123178 349982948 /nfs/dbraw/zinc/98/29/48/349982948.db2.gz HFSOYBSKCQEZOX-ZBFHGGJFSA-N 1 3 252.446 3.277 20 0 CGADHO FC(F)c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357080865 232896685 /nfs/dbraw/zinc/89/66/85/232896685.db2.gz NIUHKBJJOJVWEE-INIZCTEOSA-N 1 3 294.389 3.446 20 0 CGADHO C[N@H+](CCCc1c(F)cccc1Cl)C1CCNCC1 ZINC000339407759 215153623 /nfs/dbraw/zinc/15/36/23/215153623.db2.gz MSUNIDKTUYULRV-UHFFFAOYSA-N 1 3 284.806 3.096 20 0 CGADHO C[N@@H+](CCCc1c(F)cccc1Cl)C1CCNCC1 ZINC000339407759 215153625 /nfs/dbraw/zinc/15/36/25/215153625.db2.gz MSUNIDKTUYULRV-UHFFFAOYSA-N 1 3 284.806 3.096 20 0 CGADHO CN(CCCc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000339407759 215153629 /nfs/dbraw/zinc/15/36/29/215153629.db2.gz MSUNIDKTUYULRV-UHFFFAOYSA-N 1 3 284.806 3.096 20 0 CGADHO CCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000339435137 215166400 /nfs/dbraw/zinc/16/64/00/215166400.db2.gz WNMGQORJTOZMFM-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000339435137 215166403 /nfs/dbraw/zinc/16/64/03/215166403.db2.gz WNMGQORJTOZMFM-SFHVURJKSA-N 1 3 288.435 3.003 20 0 CGADHO C[C@@H](NCCCC[NH+](C)C)c1nc2c(s1)CCCC2 ZINC000357780535 233002610 /nfs/dbraw/zinc/00/26/10/233002610.db2.gz WOULTTVXLDKKAQ-GFCCVEGCSA-N 1 3 281.469 3.014 20 0 CGADHO Fc1cc(F)cc(CNCCCCC[NH+]2CCCC2)c1 ZINC000339498545 215212194 /nfs/dbraw/zinc/21/21/94/215212194.db2.gz SWMMVHOMFUPMPV-UHFFFAOYSA-N 1 3 282.378 3.321 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000624308982 350022441 /nfs/dbraw/zinc/02/24/41/350022441.db2.gz AWKCIWYFSFXLTH-CWLKWCNXSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000625271022 350150867 /nfs/dbraw/zinc/15/08/67/350150867.db2.gz UPNBVXMQXSJIBS-NNXHMXCWSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)CC1 ZINC000625271022 350150868 /nfs/dbraw/zinc/15/08/68/350150868.db2.gz UPNBVXMQXSJIBS-NNXHMXCWSA-N 1 3 264.457 3.085 20 0 CGADHO N[C@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000629550062 350711217 /nfs/dbraw/zinc/71/12/17/350711217.db2.gz XIPBXPLQSTWCBO-SOUVJXGZSA-N 1 3 264.800 3.187 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccccc2CC(F)(F)F)C1 ZINC000629554524 350711925 /nfs/dbraw/zinc/71/19/25/350711925.db2.gz KEYZLJYZBOBTRS-KBPBESRZSA-N 1 3 286.341 3.151 20 0 CGADHO C[C@H]([NH3+])c1ccc(CNCC2=Cc3ccccc3OC2)cc1 ZINC000629647618 350729707 /nfs/dbraw/zinc/72/97/07/350729707.db2.gz BOMKQWJYMGPCHO-AWEZNQCLSA-N 1 3 294.398 3.272 20 0 CGADHO C[C@H](C[NH2+]Cc1ccccc1CC(F)(F)F)CN(C)C ZINC000631141045 350967268 /nfs/dbraw/zinc/96/72/68/350967268.db2.gz VPSQSRMYBJWRIP-GFCCVEGCSA-N 1 3 288.357 3.079 20 0 CGADHO C[C@@H]1C[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)[C@@H](C)O1 ZINC000631702346 351122867 /nfs/dbraw/zinc/12/28/67/351122867.db2.gz SEMVSHLMXQYWQM-IFCWYPFCSA-N 1 3 294.483 3.185 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)[C@@H](C)O1 ZINC000631702346 351122868 /nfs/dbraw/zinc/12/28/68/351122868.db2.gz SEMVSHLMXQYWQM-IFCWYPFCSA-N 1 3 294.483 3.185 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC000631571804 351071849 /nfs/dbraw/zinc/07/18/49/351071849.db2.gz IRTOJQDORZVROS-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CCCCN1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631577294 351074057 /nfs/dbraw/zinc/07/40/57/351074057.db2.gz PUHCNLKNZTXTFY-GOSISDBHSA-N 1 3 287.451 3.313 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000634683532 351569570 /nfs/dbraw/zinc/56/95/70/351569570.db2.gz SVFNHCGPWFQMRU-ARFHVFGLSA-N 1 3 294.483 3.187 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCc2ccc3ncccc3c2)C1 ZINC000634733176 351578751 /nfs/dbraw/zinc/57/87/51/351578751.db2.gz YWQDIDOUAGLZLB-INIZCTEOSA-N 1 3 283.419 3.103 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000634732796 351578777 /nfs/dbraw/zinc/57/87/77/351578777.db2.gz OXTXGMGLMMXBCT-MRXNPFEDSA-N 1 3 294.483 3.094 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733985 351579582 /nfs/dbraw/zinc/57/95/82/351579582.db2.gz UEACZTICWMCILD-NVXWUHKLSA-N 1 3 274.452 3.376 20 0 CGADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000635004086 351621665 /nfs/dbraw/zinc/62/16/65/351621665.db2.gz NAHQNPLAECUQCT-JONQDZQNSA-N 1 3 294.826 3.030 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000635004085 351621793 /nfs/dbraw/zinc/62/17/93/351621793.db2.gz NAHQNPLAECUQCT-JJXSEGSLSA-N 1 3 294.826 3.030 20 0 CGADHO N[C@@H](CC[NH2+]C1CCC2(CC2)CC1)Cc1ccccc1 ZINC000635004605 351622780 /nfs/dbraw/zinc/62/27/80/351622780.db2.gz FOHSEXXAJJKDGN-INIZCTEOSA-N 1 3 272.436 3.259 20 0 CGADHO CC1(C)CC[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000635008612 351626123 /nfs/dbraw/zinc/62/61/23/351626123.db2.gz RVZVXPFRYDNCDR-CVEARBPZSA-N 1 3 260.425 3.115 20 0 CGADHO Cc1ccsc1[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008382 351626197 /nfs/dbraw/zinc/62/61/97/351626197.db2.gz DGIDKLMTPWTEBD-CHWSQXEVSA-N 1 3 266.454 3.485 20 0 CGADHO CC[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CCC1 ZINC000635009490 351627247 /nfs/dbraw/zinc/62/72/47/351627247.db2.gz VUCHZRRLLQLSLP-SJORKVTESA-N 1 3 260.425 3.115 20 0 CGADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cc(F)ccc1F ZINC000635009350 351627550 /nfs/dbraw/zinc/62/75/50/351627550.db2.gz YBBLLLDIRUKEMM-NQBHXWOUSA-N 1 3 268.351 3.133 20 0 CGADHO COc1ccc([C@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000635010041 351628076 /nfs/dbraw/zinc/62/80/76/351628076.db2.gz IVADRDWJWSLXPN-ZFWWWQNUSA-N 1 3 276.424 3.124 20 0 CGADHO c1cc2c(cccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000635012711 351630949 /nfs/dbraw/zinc/63/09/49/351630949.db2.gz NPSIZQQVAOTSJV-KBAYOESNSA-N 1 3 283.419 3.178 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2NCc1cccc2c1CC[NH2+]C2 ZINC000635015351 351631777 /nfs/dbraw/zinc/63/17/77/351631777.db2.gz AFXXUDMNLDTUGU-FQEVSTJZSA-N 1 3 292.426 3.500 20 0 CGADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1OCCN(C)C ZINC000122283669 187024564 /nfs/dbraw/zinc/02/45/64/187024564.db2.gz ZYNIYPWUHMGJBO-HUUCEWRRSA-N 1 3 278.440 3.151 20 0 CGADHO Cc1ccnc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000367616971 234234628 /nfs/dbraw/zinc/23/46/28/234234628.db2.gz MSBCXMGMYWHSPB-WZYMTQMTSA-N 1 3 273.424 3.056 20 0 CGADHO CCCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000151030101 187938871 /nfs/dbraw/zinc/93/88/71/187938871.db2.gz SRLABNISXALSLQ-AWEZNQCLSA-N 1 3 264.413 3.078 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000422860805 295855237 /nfs/dbraw/zinc/85/52/37/295855237.db2.gz NCUGDZAINVSWBB-SUMWQHHRSA-N 1 3 287.382 3.027 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000271858675 191372609 /nfs/dbraw/zinc/37/26/09/191372609.db2.gz JWRSENZVPFUWHB-ZDUSSCGKSA-N 1 3 278.827 3.123 20 0 CGADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]1C ZINC000414110472 235337801 /nfs/dbraw/zinc/33/78/01/235337801.db2.gz LUONVIBSNHWWNS-XJKCOSOUSA-N 1 3 250.430 3.028 20 0 CGADHO Cc1cc(NCC2=CC[N@H+](C)CC2)c2ccccc2n1 ZINC000273570747 192209500 /nfs/dbraw/zinc/20/95/00/192209500.db2.gz ACJIVJANBPZHEW-UHFFFAOYSA-N 1 3 267.376 3.217 20 0 CGADHO Cc1cc(NCC2=CC[N@@H+](C)CC2)c2ccccc2n1 ZINC000273570747 192209502 /nfs/dbraw/zinc/20/95/02/192209502.db2.gz ACJIVJANBPZHEW-UHFFFAOYSA-N 1 3 267.376 3.217 20 0 CGADHO C[C@H](CCC1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825017 235474709 /nfs/dbraw/zinc/47/47/09/235474709.db2.gz GOFGVTKVPMUIEM-SLHHOWHOSA-N 1 3 250.430 3.218 20 0 CGADHO C[C@H](CNCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000414901279 235490415 /nfs/dbraw/zinc/49/04/15/235490415.db2.gz FYAAMBSOJXPFKK-IUODEOHRSA-N 1 3 266.816 3.175 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cccc(Cl)c2F)C1 ZINC000414985869 235506421 /nfs/dbraw/zinc/50/64/21/235506421.db2.gz BQEQGAUDZQLWTE-ZYHUDNBSSA-N 1 3 270.779 3.086 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121661830 283214684 /nfs/dbraw/zinc/21/46/84/283214684.db2.gz SAOXLVGIBXIZBX-BBWFWOEESA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccccc1F ZINC000093495902 138346758 /nfs/dbraw/zinc/34/67/58/138346758.db2.gz SQLWZMNQBXBWMJ-GOEBONIOSA-N 1 3 278.415 3.269 20 0 CGADHO Cc1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093491388 138346893 /nfs/dbraw/zinc/34/68/93/138346893.db2.gz GUOJSESSJSZBKN-CEXWTWQISA-N 1 3 286.463 3.438 20 0 CGADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)c1 ZINC000093491388 138346894 /nfs/dbraw/zinc/34/68/94/138346894.db2.gz GUOJSESSJSZBKN-CEXWTWQISA-N 1 3 286.463 3.438 20 0 CGADHO C[C@@H]([NH3+])C1CCN(Cc2ccccc2Br)CC1 ZINC000110645055 138363284 /nfs/dbraw/zinc/36/32/84/138363284.db2.gz PVGGXVCWEGELAG-LLVKDONJSA-N 1 3 297.240 3.008 20 0 CGADHO COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183186231 138433815 /nfs/dbraw/zinc/43/38/15/138433815.db2.gz NDTIQGMJQXZLLA-HRCADAONSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1cc2c(s1)CCCC2 ZINC000423227917 236002238 /nfs/dbraw/zinc/00/22/38/236002238.db2.gz XMEYYGKPPGJXDU-WDEREUQCSA-N 1 3 252.427 3.015 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000423297502 236029730 /nfs/dbraw/zinc/02/97/30/236029730.db2.gz KNTIXQKXXGLINE-CRAIPNDOSA-N 1 3 268.404 3.155 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@H]1CCCC[C@H]1C ZINC000423271942 236016816 /nfs/dbraw/zinc/01/68/16/236016816.db2.gz HRTCSHIUIVOZOU-OLMNGRFOSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccccc1Br ZINC000423346425 236046152 /nfs/dbraw/zinc/04/61/52/236046152.db2.gz PDTHRJARGAEKRI-NSHDSACASA-N 1 3 295.224 3.019 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423354485 236048091 /nfs/dbraw/zinc/04/80/91/236048091.db2.gz GHIHFXKOIRFWFW-GVDBMIGSSA-N 1 3 287.451 3.148 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423368584 236053079 /nfs/dbraw/zinc/05/30/79/236053079.db2.gz BEOGKZIQEQSIFB-UXLLHSPISA-N 1 3 272.436 3.411 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423380865 236057413 /nfs/dbraw/zinc/05/74/13/236057413.db2.gz YZFCGVRPNSYLAY-SNPRPXQTSA-N 1 3 272.392 3.223 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423380865 236057414 /nfs/dbraw/zinc/05/74/14/236057414.db2.gz YZFCGVRPNSYLAY-SNPRPXQTSA-N 1 3 272.392 3.223 20 0 CGADHO C[C@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402630 236065282 /nfs/dbraw/zinc/06/52/82/236065282.db2.gz RLPMHDVKAXLOHJ-SJCJKPOMSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423440793 236071007 /nfs/dbraw/zinc/07/10/07/236071007.db2.gz OULKJHIWQKGYKO-JMPLFQLZSA-N 1 3 280.362 3.004 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000423440361 236071398 /nfs/dbraw/zinc/07/13/98/236071398.db2.gz IPTVUVNOVSIKHC-RLFYNMQTSA-N 1 3 268.404 3.296 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000423444885 236072562 /nfs/dbraw/zinc/07/25/62/236072562.db2.gz RMVXYOGACVBWGN-ACWOFJMJSA-N 1 3 295.430 3.274 20 0 CGADHO Cc1ncc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)c(C)n1 ZINC000423511957 236090898 /nfs/dbraw/zinc/09/08/98/236090898.db2.gz UEWWTDFRZWKGFU-KBXCAEBGSA-N 1 3 298.434 3.224 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCNC1CC1 ZINC000423557611 236098032 /nfs/dbraw/zinc/09/80/32/236098032.db2.gz NHWJYAMGBUAJCR-GFCCVEGCSA-N 1 3 282.378 3.018 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)NCCC[NH2+]C1CC1 ZINC000423557611 236098033 /nfs/dbraw/zinc/09/80/33/236098033.db2.gz NHWJYAMGBUAJCR-GFCCVEGCSA-N 1 3 282.378 3.018 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccsc1 ZINC000294383129 199019345 /nfs/dbraw/zinc/01/93/45/199019345.db2.gz INBFABSEHFDDJH-TZMCWYRMSA-N 1 3 252.427 3.131 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000424371396 236157802 /nfs/dbraw/zinc/15/78/02/236157802.db2.gz UWIHDXACUHHGKU-QZTJIDSGSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccc(Cl)s1)CC[NH2+]CC2 ZINC000424286062 236142375 /nfs/dbraw/zinc/14/23/75/236142375.db2.gz GWQCHFWPFMHTOC-LLVKDONJSA-N 1 3 284.856 3.366 20 0 CGADHO Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)CN(C)C)CCCO2 ZINC000425924517 236273163 /nfs/dbraw/zinc/27/31/63/236273163.db2.gz PNXBCPDPVUMMNZ-GUYCJALGSA-N 1 3 290.451 3.304 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000425930106 236274261 /nfs/dbraw/zinc/27/42/61/236274261.db2.gz ZJVYPYWGKNOORG-USXIJHARSA-N 1 3 289.467 3.204 20 0 CGADHO NCCC[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000423195807 283433701 /nfs/dbraw/zinc/43/37/01/283433701.db2.gz TWWDZBUWIURJCM-QGZVFWFLSA-N 1 3 260.425 3.116 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)c1cccnc1 ZINC000423182423 296000419 /nfs/dbraw/zinc/00/04/19/296000419.db2.gz LTMPCNRAQVWDBL-RDJZCZTQSA-N 1 3 289.467 3.260 20 0 CGADHO CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000341969464 216171818 /nfs/dbraw/zinc/17/18/18/216171818.db2.gz PDTZYPMJLHSMCL-TYNCELHUSA-N 1 3 296.455 3.366 20 0 CGADHO COc1cc2ccccc2cc1CNCC1=CC[N@H+](C)CC1 ZINC000449250839 239270625 /nfs/dbraw/zinc/27/06/25/239270625.db2.gz MQOAHUSRGAGZLK-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO COc1cc2ccccc2cc1CNCC1=CC[N@@H+](C)CC1 ZINC000449250839 239270628 /nfs/dbraw/zinc/27/06/28/239270628.db2.gz MQOAHUSRGAGZLK-UHFFFAOYSA-N 1 3 296.414 3.200 20 0 CGADHO C[C@H](C[NH2+]CCCN1CCCC1)c1cc(F)cc(F)c1 ZINC000449224153 239253886 /nfs/dbraw/zinc/25/38/86/239253886.db2.gz ZZVPDPVZXWCFOC-CYBMUJFWSA-N 1 3 282.378 3.144 20 0 CGADHO C[C@H](CNCCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000449224153 239253888 /nfs/dbraw/zinc/25/38/88/239253888.db2.gz ZZVPDPVZXWCFOC-CYBMUJFWSA-N 1 3 282.378 3.144 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3s2)CCN1 ZINC000335641082 212357856 /nfs/dbraw/zinc/35/78/56/212357856.db2.gz QKMIINQDUAITRR-DGCLKSJQSA-N 1 3 260.406 3.131 20 0 CGADHO Cc1ccc2nccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000450832043 240106347 /nfs/dbraw/zinc/10/63/47/240106347.db2.gz VBFHHLMSNPDLRS-GOOCMWNKSA-N 1 3 281.403 3.002 20 0 CGADHO Cc1ccc2nccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000450832043 240106351 /nfs/dbraw/zinc/10/63/51/240106351.db2.gz VBFHHLMSNPDLRS-GOOCMWNKSA-N 1 3 281.403 3.002 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000459429026 242105186 /nfs/dbraw/zinc/10/51/86/242105186.db2.gz QAFCZUMNFYYNAK-HOTGVXAUSA-N 1 3 280.843 3.345 20 0 CGADHO CCOc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000459729070 242194608 /nfs/dbraw/zinc/19/46/08/242194608.db2.gz DGLBQIWTVXXMRI-AWEZNQCLSA-N 1 3 294.414 3.046 20 0 CGADHO CCOc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000459729070 242194611 /nfs/dbraw/zinc/19/46/11/242194611.db2.gz DGLBQIWTVXXMRI-AWEZNQCLSA-N 1 3 294.414 3.046 20 0 CGADHO CC[NH+]1CCC(CCN[C@@H](C)c2ccccc2OC)CC1 ZINC000121705681 370886972 /nfs/dbraw/zinc/88/69/72/370886972.db2.gz MXCSNYWSVZNBAL-HNNXBMFYSA-N 1 3 290.451 3.468 20 0 CGADHO Cc1cc(C)c(C[NH+]2CCC(N(C)C)CC2)c(C)c1 ZINC000121738400 370892032 /nfs/dbraw/zinc/89/20/32/370892032.db2.gz YTXMUWINUUFXQH-UHFFFAOYSA-N 1 3 260.425 3.138 20 0 CGADHO C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)[C@@H]1CC1(C)C ZINC000423532651 296118187 /nfs/dbraw/zinc/11/81/87/296118187.db2.gz VOJWHPZSEZQQDN-MCMJEYSTSA-N 1 3 276.468 3.164 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019943322 368788231 /nfs/dbraw/zinc/78/82/31/368788231.db2.gz PZRNPWRFRJAYCI-GOSISDBHSA-N 1 3 290.451 3.394 20 0 CGADHO CC(C)CC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037374235 369083249 /nfs/dbraw/zinc/08/32/49/369083249.db2.gz IMUGCCXBKYPZTD-HNNXBMFYSA-N 1 3 275.440 3.465 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000037644267 369094723 /nfs/dbraw/zinc/09/47/23/369094723.db2.gz ZAVWSAUICJGUBU-QWHCGFSZSA-N 1 3 298.377 3.280 20 0 CGADHO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037649307 369098071 /nfs/dbraw/zinc/09/80/71/369098071.db2.gz QPAFCKKRARPABK-HUUCEWRRSA-N 1 3 288.435 3.139 20 0 CGADHO CC[NH+](CC)CCCNC1CC(OCc2ccccc2)C1 ZINC000493797503 244232582 /nfs/dbraw/zinc/23/25/82/244232582.db2.gz QVXNGLUSLTXRPA-UHFFFAOYSA-N 1 3 290.451 3.056 20 0 CGADHO CCN(CC)CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493797503 244232587 /nfs/dbraw/zinc/23/25/87/244232587.db2.gz QVXNGLUSLTXRPA-UHFFFAOYSA-N 1 3 290.451 3.056 20 0 CGADHO Cc1cc(C)cc(OCCCN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070173914 369787442 /nfs/dbraw/zinc/78/74/42/369787442.db2.gz NUBBPBXOYBYXHJ-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000090720586 370065221 /nfs/dbraw/zinc/06/52/21/370065221.db2.gz LODRILPDMIEKSC-WBVHZDCISA-N 1 3 260.425 3.184 20 0 CGADHO Cc1cc(C)c(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000090720586 370065226 /nfs/dbraw/zinc/06/52/26/370065226.db2.gz LODRILPDMIEKSC-WBVHZDCISA-N 1 3 260.425 3.184 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513203897 245069195 /nfs/dbraw/zinc/06/91/95/245069195.db2.gz MDNCJTXLMFUNMO-NXHRZFHOSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513203897 245069199 /nfs/dbraw/zinc/06/91/99/245069199.db2.gz MDNCJTXLMFUNMO-NXHRZFHOSA-N 1 3 296.499 3.170 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000130314726 371024134 /nfs/dbraw/zinc/02/41/34/371024134.db2.gz KOOPWTRNBQCLQG-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO Cc1cc(C)cc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000130314726 371024140 /nfs/dbraw/zinc/02/41/40/371024140.db2.gz KOOPWTRNBQCLQG-HOTGVXAUSA-N 1 3 272.436 3.438 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000130934971 371070929 /nfs/dbraw/zinc/07/09/29/371070929.db2.gz DCNPKNOIKVETLQ-HUUCEWRRSA-N 1 3 272.436 3.216 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)CN(C)C)CCCO2 ZINC000132141499 371154295 /nfs/dbraw/zinc/15/42/95/371154295.db2.gz KXCUVJQXKQCHIY-MRXNPFEDSA-N 1 3 290.451 3.386 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000133560801 371262180 /nfs/dbraw/zinc/26/21/80/371262180.db2.gz RQDRZRCRXJDVNC-FUHWJXTLSA-N 1 3 274.452 3.187 20 0 CGADHO c1ccc2c(c1)nccc2N1CCC([NH2+]CC2CC2)CC1 ZINC000133696828 371273011 /nfs/dbraw/zinc/27/30/11/371273011.db2.gz IVECEVDFPTXAMR-UHFFFAOYSA-N 1 3 281.403 3.203 20 0 CGADHO COC1([C@H](C)NCCC[NH+](C(C)C)C(C)C)CCCC1 ZINC000421831052 371656337 /nfs/dbraw/zinc/65/63/37/371656337.db2.gz KVXJRIYYIDVOQU-INIZCTEOSA-N 1 3 284.488 3.433 20 0 CGADHO CC[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000421874322 371692145 /nfs/dbraw/zinc/69/21/45/371692145.db2.gz IFIXKPZUITZENP-CABCVRRESA-N 1 3 278.440 3.324 20 0 CGADHO CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C1 ZINC000152411309 371693637 /nfs/dbraw/zinc/69/36/37/371693637.db2.gz VCMPATARBFSVHZ-BBRMVZONSA-N 1 3 288.435 3.367 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)c2ccccc21 ZINC000422696791 371757553 /nfs/dbraw/zinc/75/75/53/371757553.db2.gz SLJPDAZSIRIBII-SJORKVTESA-N 1 3 288.341 3.242 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000422726374 371769667 /nfs/dbraw/zinc/76/96/67/371769667.db2.gz DSWXHXYCYSUZAR-KBPBESRZSA-N 1 3 252.789 3.090 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(Cl)cc1Cl ZINC000422725526 371770759 /nfs/dbraw/zinc/77/07/59/371770759.db2.gz BPSHNXKBMIYCBT-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000422725526 371770770 /nfs/dbraw/zinc/77/07/70/371770770.db2.gz BPSHNXKBMIYCBT-ZJUUUORDSA-N 1 3 275.223 3.251 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1Cl ZINC000422732773 371771743 /nfs/dbraw/zinc/77/17/43/371771743.db2.gz QIWBDZSFUVGSRQ-KGLIPLIRSA-N 1 3 284.806 3.226 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422757400 371786441 /nfs/dbraw/zinc/78/64/41/371786441.db2.gz CVSCXBIGKOJQCK-HZPDHXFCSA-N 1 3 276.399 3.107 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000422755381 371786536 /nfs/dbraw/zinc/78/65/36/371786536.db2.gz BKOXOFGFSNPNSL-BEFAXECRSA-N 1 3 295.430 3.226 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422755044 371787950 /nfs/dbraw/zinc/78/79/50/371787950.db2.gz FGZFPFJPFZGSKX-KBPBESRZSA-N 1 3 284.350 3.038 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)COC1CCCC1 ZINC000422823490 371830481 /nfs/dbraw/zinc/83/04/81/371830481.db2.gz DKGPAXVPXITMDH-KSZLIROESA-N 1 3 294.483 3.236 20 0 CGADHO C[C@H](NCC(c1ccccc1)c1ccccc1)C1C[NH2+]C1 ZINC000422766846 371794471 /nfs/dbraw/zinc/79/44/71/371794471.db2.gz XUYUUJYFFCXQLW-HNNXBMFYSA-N 1 3 280.415 3.016 20 0 CGADHO C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C1CNC1 ZINC000422766846 371794478 /nfs/dbraw/zinc/79/44/78/371794478.db2.gz XUYUUJYFFCXQLW-HNNXBMFYSA-N 1 3 280.415 3.016 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1csc(-c2ccccc2)n1 ZINC000422776932 371798687 /nfs/dbraw/zinc/79/86/87/371798687.db2.gz BHGIFVONCVNCQW-CHWSQXEVSA-N 1 3 289.448 3.068 20 0 CGADHO Fc1ccc([C@@H]([NH2+]C2CCNCC2)C2CCCC2)cc1 ZINC000422785937 371806634 /nfs/dbraw/zinc/80/66/34/371806634.db2.gz PTMDQWZHFMSMJW-KRWDZBQOSA-N 1 3 276.399 3.399 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000422788647 371808365 /nfs/dbraw/zinc/80/83/65/371808365.db2.gz VVVUHKIXGIXQFW-GARJFASQSA-N 1 3 285.229 3.226 20 0 CGADHO c1ccc([C@@H](NC2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000422789567 371808404 /nfs/dbraw/zinc/80/84/04/371808404.db2.gz UEZRADWYJJVWFY-QGZVFWFLSA-N 1 3 258.409 3.260 20 0 CGADHO c1ccc([C@@H]([NH2+]C2CCNCC2)C2CCCC2)cc1 ZINC000422789567 371808411 /nfs/dbraw/zinc/80/84/11/371808411.db2.gz UEZRADWYJJVWFY-QGZVFWFLSA-N 1 3 258.409 3.260 20 0 CGADHO COc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cc1 ZINC000422786890 371809050 /nfs/dbraw/zinc/80/90/50/371809050.db2.gz PFPQNRMKGPLYAS-IXEWLPCDSA-N 1 3 288.435 3.265 20 0 CGADHO COc1ccc([C@H](C)CC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422791243 371811051 /nfs/dbraw/zinc/81/10/51/371811051.db2.gz YIVWWDHOQPUFOQ-HFTRVMKXSA-N 1 3 290.451 3.296 20 0 CGADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCOc1ccccc1 ZINC000422792212 371811521 /nfs/dbraw/zinc/81/15/21/371811521.db2.gz QYVHLBDOJJAHHU-APWZRJJASA-N 1 3 298.430 3.004 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000422813937 371827862 /nfs/dbraw/zinc/82/78/62/371827862.db2.gz ZELRGKXQVVEYMU-RYUDHWBXSA-N 1 3 289.448 3.192 20 0 CGADHO CCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)s1 ZINC000422858725 371843544 /nfs/dbraw/zinc/84/35/44/371843544.db2.gz JBRFCPSBKPOHKB-ZIAGYGMSSA-N 1 3 252.427 3.060 20 0 CGADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877996 371850140 /nfs/dbraw/zinc/85/01/40/371850140.db2.gz INCRUODSUGBKGU-MOPGFXCFSA-N 1 3 296.414 3.235 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882822 371851263 /nfs/dbraw/zinc/85/12/63/371851263.db2.gz BBHMFLCDYRNUEX-HKUYNNGSSA-N 1 3 298.430 3.326 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCCOc1ccc2ccccc2c1 ZINC000422884918 371853930 /nfs/dbraw/zinc/85/39/30/371853930.db2.gz FXXQKDLQPSGOPJ-HUUCEWRRSA-N 1 3 286.419 3.324 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422884918 371853935 /nfs/dbraw/zinc/85/39/35/371853935.db2.gz FXXQKDLQPSGOPJ-HUUCEWRRSA-N 1 3 286.419 3.324 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000422890208 371854706 /nfs/dbraw/zinc/85/47/06/371854706.db2.gz HWVMTSATQKEXLK-RTBURBONSA-N 1 3 296.414 3.235 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCCOc1ccc2ccccc2c1 ZINC000422892967 371856899 /nfs/dbraw/zinc/85/68/99/371856899.db2.gz ZYUWOQHKGZIYOO-ROUUACIJSA-N 1 3 284.403 3.078 20 0 CGADHO Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422933070 371878347 /nfs/dbraw/zinc/87/83/47/371878347.db2.gz BDWPPAHJKHRNIZ-ROUUACIJSA-N 1 3 296.414 3.417 20 0 CGADHO Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422947885 371887127 /nfs/dbraw/zinc/88/71/27/371887127.db2.gz QQVQUTCVBUAHBF-RTBURBONSA-N 1 3 296.414 3.417 20 0 CGADHO CCC(CC)[C@H](N[C@@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422934160 371879619 /nfs/dbraw/zinc/87/96/19/371879619.db2.gz JASITYHVPSMJRP-NHYWBVRUSA-N 1 3 266.454 3.423 20 0 CGADHO CCC(CC)[C@H]([NH2+][C@@H](C)C1CNC1)c1cccs1 ZINC000422934160 371879622 /nfs/dbraw/zinc/87/96/22/371879622.db2.gz JASITYHVPSMJRP-NHYWBVRUSA-N 1 3 266.454 3.423 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422941641 371883331 /nfs/dbraw/zinc/88/33/31/371883331.db2.gz VFBXKHCHNXMDSC-SRVKXCTJSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000422941641 371883332 /nfs/dbraw/zinc/88/33/32/371883332.db2.gz VFBXKHCHNXMDSC-SRVKXCTJSA-N 1 3 288.357 3.352 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422844044 371837433 /nfs/dbraw/zinc/83/74/33/371837433.db2.gz KQZSKUMCLYAYEY-RHSMWYFYSA-N 1 3 290.426 3.225 20 0 CGADHO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422846141 371838892 /nfs/dbraw/zinc/83/88/92/371838892.db2.gz PGDVNIWMTQBLCC-AWEZNQCLSA-N 1 3 283.419 3.050 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@H]1NCC(C)(C)c1ccccc1F ZINC000422849949 371838908 /nfs/dbraw/zinc/83/89/08/371838908.db2.gz MPRVGRJSGNMTFK-XJKSGUPXSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000422849949 371838914 /nfs/dbraw/zinc/83/89/14/371838914.db2.gz MPRVGRJSGNMTFK-XJKSGUPXSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)c1ccccc1F ZINC000422849943 371839095 /nfs/dbraw/zinc/83/90/95/371839095.db2.gz MPRVGRJSGNMTFK-BBRMVZONSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)c1ccccc1F ZINC000422849943 371839101 /nfs/dbraw/zinc/83/91/01/371839101.db2.gz MPRVGRJSGNMTFK-BBRMVZONSA-N 1 3 278.415 3.081 20 0 CGADHO C[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000422848001 371839310 /nfs/dbraw/zinc/83/93/10/371839310.db2.gz JCSPRKOVUHLJOE-XDQVBPFNSA-N 1 3 292.389 3.475 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000423056033 371937462 /nfs/dbraw/zinc/93/74/62/371937462.db2.gz XPWINDVPAYYEEP-HZSPNIEDSA-N 1 3 264.438 3.375 20 0 CGADHO COc1ccc(C(C)(C)C[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422950577 371889306 /nfs/dbraw/zinc/88/93/06/371889306.db2.gz YKAJSUQDYGKUCM-YOEHRIQHSA-N 1 3 290.451 3.080 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)[C@@H]1CCCNC1 ZINC000422985452 371903406 /nfs/dbraw/zinc/90/34/06/371903406.db2.gz DWXCQKSYPUQXTR-DZJNRPSUSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)[C@H]1CCCNC1 ZINC000422985454 371903626 /nfs/dbraw/zinc/90/36/26/371903626.db2.gz DWXCQKSYPUQXTR-LEUOFYLZSA-N 1 3 272.436 3.300 20 0 CGADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000423070373 371945204 /nfs/dbraw/zinc/94/52/04/371945204.db2.gz NBORYFDWFMHXRX-HTUJPFKRSA-N 1 3 286.463 3.374 20 0 CGADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1N[C@@H](C)C[C@H](C)[NH3+] ZINC000422997397 371908812 /nfs/dbraw/zinc/90/88/12/371908812.db2.gz OAUHPQQUNLKWDN-NBOOPKSLSA-N 1 3 290.451 3.400 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(-c2ccccn2)c1 ZINC000423002732 371910298 /nfs/dbraw/zinc/91/02/98/371910298.db2.gz ZKKIIEVUJBSMEG-CRAIPNDOSA-N 1 3 295.430 3.226 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(CCO)CCCCC1 ZINC000423008212 371911762 /nfs/dbraw/zinc/91/17/62/371911762.db2.gz STCPBHOIHSBYFR-DLBZAZTESA-N 1 3 296.499 3.220 20 0 CGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423065475 371943806 /nfs/dbraw/zinc/94/38/06/371943806.db2.gz BITDNTCDQDCJSN-UAGQMJEPSA-N 1 3 294.483 3.221 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCc2cc(F)ccc21 ZINC000423016093 371916517 /nfs/dbraw/zinc/91/65/17/371916517.db2.gz AYLJAECSWONCDJ-OAUYIBNBSA-N 1 3 276.399 3.181 20 0 CGADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCO1 ZINC000423026544 371923135 /nfs/dbraw/zinc/92/31/35/371923135.db2.gz BLXACHUPVJLBQD-DUQPFJRNSA-N 1 3 294.483 3.092 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000423042449 371929684 /nfs/dbraw/zinc/92/96/84/371929684.db2.gz ZGDUEOUXPBOJQE-PWNZVWSESA-N 1 3 275.440 3.324 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093335 371959017 /nfs/dbraw/zinc/95/90/17/371959017.db2.gz HACUTFHPYYTWLK-NZTRGOHKSA-N 1 3 296.817 3.384 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423093335 371959022 /nfs/dbraw/zinc/95/90/22/371959022.db2.gz HACUTFHPYYTWLK-NZTRGOHKSA-N 1 3 296.817 3.384 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2OC(F)F)c2ccccc21 ZINC000423104455 371967776 /nfs/dbraw/zinc/96/77/76/371967776.db2.gz BKXFRPIYLNWGPU-APIJFGDWSA-N 1 3 296.361 3.271 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173220 372001564 /nfs/dbraw/zinc/00/15/64/372001564.db2.gz XMOZCILCCPNHJP-IDTSFGKNSA-N 1 3 296.817 3.313 20 0 CGADHO Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])c2ccccc12 ZINC000423173233 372001782 /nfs/dbraw/zinc/00/17/82/372001782.db2.gz XNPNKPQKGMUMEA-KBPBESRZSA-N 1 3 256.393 3.364 20 0 CGADHO CSc1ccc([C@@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423108116 371969879 /nfs/dbraw/zinc/96/98/79/371969879.db2.gz STALQMWPZPFJRV-QJPTWQEYSA-N 1 3 252.427 3.185 20 0 CGADHO Cc1cc2cc(C[NH2+][C@H]3CCCCC[C@@H]3N)ccc2[nH]1 ZINC000423116142 371974334 /nfs/dbraw/zinc/97/43/34/371974334.db2.gz ZQOXFPLEJVPWGA-RDJZCZTQSA-N 1 3 271.408 3.226 20 0 CGADHO FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000423125639 371978733 /nfs/dbraw/zinc/97/87/33/371978733.db2.gz NPYZFYLEJOKQGN-DMTXQYTPSA-N 1 3 290.373 3.228 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423127356 371981292 /nfs/dbraw/zinc/98/12/92/371981292.db2.gz BWZADQIFTXQVIB-OUCADQQQSA-N 1 3 288.357 3.438 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCC[C@H](c1ccccc1)C(F)(F)F ZINC000423127356 371981297 /nfs/dbraw/zinc/98/12/97/371981297.db2.gz BWZADQIFTXQVIB-OUCADQQQSA-N 1 3 288.357 3.438 20 0 CGADHO C=Cc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423132739 371982677 /nfs/dbraw/zinc/98/26/77/371982677.db2.gz CCEPCQCIEFHQOW-OTWHNJEPSA-N 1 3 284.447 3.382 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1nccn1-c1ccccc1 ZINC000423134096 371985014 /nfs/dbraw/zinc/98/50/14/371985014.db2.gz WKQHFHFXNVCCHH-CABCVRRESA-N 1 3 286.423 3.040 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423144455 371990260 /nfs/dbraw/zinc/99/02/60/371990260.db2.gz GYUCGYDRFUCNDD-CIISACIHSA-N 1 3 280.362 3.059 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccc(Cl)c(Cl)c1 ZINC000423156287 371994491 /nfs/dbraw/zinc/99/44/91/371994491.db2.gz KYVCWIIAHMBVGX-VHSXEESVSA-N 1 3 291.222 3.088 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(SCC(F)F)cc1 ZINC000423188627 372015112 /nfs/dbraw/zinc/01/51/12/372015112.db2.gz LUZOVVXRKHBDTP-SNVBAGLBSA-N 1 3 274.380 3.043 20 0 CGADHO Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000423191518 372017642 /nfs/dbraw/zinc/01/76/42/372017642.db2.gz UKIXGCZURYEVQI-RHSMWYFYSA-N 1 3 292.854 3.393 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423194352 372019389 /nfs/dbraw/zinc/01/93/89/372019389.db2.gz RHTVRBIVPSTCQX-UONOGXRCSA-N 1 3 286.341 3.280 20 0 CGADHO Cc1ccc(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157438280 372022230 /nfs/dbraw/zinc/02/22/30/372022230.db2.gz VKQUHSLXSNIKHX-LJQANCHMSA-N 1 3 286.463 3.488 20 0 CGADHO COc1ccc2cc([C@H](C)NC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000423206037 372028489 /nfs/dbraw/zinc/02/84/89/372028489.db2.gz FPXYTCXBTMZLQN-LSDHHAIUSA-N 1 3 298.430 3.499 20 0 CGADHO CCO[C@@H]1C[C@H](NCCC[NH+](C(C)C)C(C)C)C1(C)C ZINC000344156641 217079515 /nfs/dbraw/zinc/07/95/15/217079515.db2.gz AQASNUTYXJPWML-JKSUJKDBSA-N 1 3 284.488 3.289 20 0 CGADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423211709 372032660 /nfs/dbraw/zinc/03/26/60/372032660.db2.gz LFWSNMGZZMORMF-BZUAXINKSA-N 1 3 252.446 3.181 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccccc2)C1 ZINC000290665164 372036692 /nfs/dbraw/zinc/03/66/92/372036692.db2.gz ZXVORFREIFDGQP-MXDAGHGGSA-N 1 3 270.420 3.116 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccccc2)C1 ZINC000290665164 372036699 /nfs/dbraw/zinc/03/66/99/372036699.db2.gz ZXVORFREIFDGQP-MXDAGHGGSA-N 1 3 270.420 3.116 20 0 CGADHO CC(C)[C@H](NCC[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423222678 372039557 /nfs/dbraw/zinc/03/95/57/372039557.db2.gz CBWLGCIFHXFLNR-FZMZJTMJSA-N 1 3 254.805 3.364 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCc2cc(Cl)ccc21 ZINC000423273391 372046040 /nfs/dbraw/zinc/04/60/40/372046040.db2.gz KNFNCMQPGAOJOF-MAZHCROVSA-N 1 3 278.827 3.434 20 0 CGADHO C[C@H](C[NH3+])CN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423303732 372049854 /nfs/dbraw/zinc/04/98/54/372049854.db2.gz XILZXNRVLJTJFP-PELKAZGASA-N 1 3 273.207 3.165 20 0 CGADHO Cc1cc([C@@H]([NH2+]CC2(N)CCC2)C2CC2)ccc1F ZINC000423317096 372051267 /nfs/dbraw/zinc/05/12/67/372051267.db2.gz CDFPHFOWLJIVIT-HNNXBMFYSA-N 1 3 262.372 3.056 20 0 CGADHO CCC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000158113549 372053865 /nfs/dbraw/zinc/05/38/65/372053865.db2.gz IIGOXGVMTLQKOR-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO CCC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000158113549 372053868 /nfs/dbraw/zinc/05/38/68/372053868.db2.gz IIGOXGVMTLQKOR-YJBOKZPZSA-N 1 3 290.451 3.468 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C1CNC1 ZINC000423175188 372005135 /nfs/dbraw/zinc/00/51/35/372005135.db2.gz DIAVUHBEUZMUDN-RBOXIYTFSA-N 1 3 278.827 3.174 20 0 CGADHO CCCc1nc(C)c(CN2CCC(CC[NH+](C)C)CC2)o1 ZINC000428439883 372201021 /nfs/dbraw/zinc/20/10/21/372201021.db2.gz DAMWNCUYMTXNBQ-UHFFFAOYSA-N 1 3 293.455 3.099 20 0 CGADHO Clc1ncccc1CNCCCCC[NH+]1CCCC1 ZINC000293204844 372326443 /nfs/dbraw/zinc/32/64/43/372326443.db2.gz XVRWCLWWQYISCB-UHFFFAOYSA-N 1 3 281.831 3.091 20 0 CGADHO CC(C)COCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000163282919 372459188 /nfs/dbraw/zinc/45/91/88/372459188.db2.gz ICSCCDDRQRNLPL-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)COCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000163282919 372459200 /nfs/dbraw/zinc/45/92/00/372459200.db2.gz ICSCCDDRQRNLPL-UHFFFAOYSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C1 ZINC000163382148 372465293 /nfs/dbraw/zinc/46/52/93/372465293.db2.gz MUOCDVNVMUCJTI-QWHCGFSZSA-N 1 3 280.378 3.427 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000163911981 372499056 /nfs/dbraw/zinc/49/90/56/372499056.db2.gz UHEBWDMJXBXVII-QZTJIDSGSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000163911981 372499064 /nfs/dbraw/zinc/49/90/64/372499064.db2.gz UHEBWDMJXBXVII-QZTJIDSGSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(Cl)c1 ZINC000166002040 372561418 /nfs/dbraw/zinc/56/14/18/372561418.db2.gz VKIYWGKZZZPCKB-CZUORRHYSA-N 1 3 298.858 3.347 20 0 CGADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@H]12 ZINC000435391712 372758661 /nfs/dbraw/zinc/75/86/61/372758661.db2.gz XVCQTFGUHNOGIT-BHYGNILZSA-N 1 3 282.387 3.116 20 0 CGADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1cccc(C(C)(C)C)c1 ZINC000442768976 373074500 /nfs/dbraw/zinc/07/45/00/373074500.db2.gz PKBOQYXPWCWZRL-GJZGRUSLSA-N 1 3 290.451 3.032 20 0 CGADHO Cc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000296545799 373171974 /nfs/dbraw/zinc/17/19/74/373171974.db2.gz UCPKECBKSFVNGX-OKILXGFUSA-N 1 3 296.480 3.036 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442889763 373121245 /nfs/dbraw/zinc/12/12/45/373121245.db2.gz LMHGUMJKWDHALX-SJORKVTESA-N 1 3 297.531 3.063 20 0 CGADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(SC)cc1 ZINC000173318073 373124733 /nfs/dbraw/zinc/12/47/33/373124733.db2.gz CCOIOJAICIKKSW-AWEZNQCLSA-N 1 3 296.480 3.027 20 0 CGADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(SC)cc1 ZINC000173318073 373124745 /nfs/dbraw/zinc/12/47/45/373124745.db2.gz CCOIOJAICIKKSW-AWEZNQCLSA-N 1 3 296.480 3.027 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000173388983 373136118 /nfs/dbraw/zinc/13/61/18/373136118.db2.gz UAOXXKQRVXXCQU-HOTGVXAUSA-N 1 3 260.425 3.458 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2c1 ZINC000174515235 373331148 /nfs/dbraw/zinc/33/11/48/373331148.db2.gz ZTTLCTXGUUDIQL-KSSFIOAISA-N 1 3 298.430 3.421 20 0 CGADHO COc1ccc2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2c1 ZINC000174515235 373331156 /nfs/dbraw/zinc/33/11/56/373331156.db2.gz ZTTLCTXGUUDIQL-KSSFIOAISA-N 1 3 298.430 3.421 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000448059236 373546338 /nfs/dbraw/zinc/54/63/38/373546338.db2.gz AKLJIZNXNDPXKF-AWEZNQCLSA-N 1 3 250.430 3.029 20 0 CGADHO C[NH+](C)CCCC(C)(C)NCc1csc(C2CC2)n1 ZINC000449525504 373823696 /nfs/dbraw/zinc/82/36/96/373823696.db2.gz BLYKJRHAMJMNHP-UHFFFAOYSA-N 1 3 281.469 3.231 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449524608 373823905 /nfs/dbraw/zinc/82/39/05/373823905.db2.gz RVUUQQAWRNMAFD-DZOHQFGASA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449524608 373823908 /nfs/dbraw/zinc/82/39/08/373823908.db2.gz RVUUQQAWRNMAFD-DZOHQFGASA-N 1 3 294.483 3.187 20 0 CGADHO CCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000178631309 373799348 /nfs/dbraw/zinc/79/93/48/373799348.db2.gz LOQOMELBYPRJPX-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000178631309 373799351 /nfs/dbraw/zinc/79/93/51/373799351.db2.gz LOQOMELBYPRJPX-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000178631309 373799355 /nfs/dbraw/zinc/79/93/55/373799355.db2.gz LOQOMELBYPRJPX-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000178631309 373799357 /nfs/dbraw/zinc/79/93/57/373799357.db2.gz LOQOMELBYPRJPX-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO Cc1cc(NC[C@H](C)N2CCc3sccc3C2)cc[nH+]1 ZINC000302279934 373848393 /nfs/dbraw/zinc/84/83/93/373848393.db2.gz IWCDDVMTPAKNTL-ZDUSSCGKSA-N 1 3 287.432 3.310 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccoc1 ZINC000179469093 373876125 /nfs/dbraw/zinc/87/61/25/373876125.db2.gz JULDNSAQZCVELK-CQSZACIVSA-N 1 3 285.391 3.242 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000180041776 373957079 /nfs/dbraw/zinc/95/70/79/373957079.db2.gz VOIZTZPAXCCXRW-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000180041776 373957081 /nfs/dbraw/zinc/95/70/81/373957081.db2.gz VOIZTZPAXCCXRW-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)C1(C)C ZINC000181439001 374122165 /nfs/dbraw/zinc/12/21/65/374122165.db2.gz PPEFZEYYWDQDLK-IAGOWNOFSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](c1cccs1)C1CCCC1 ZINC000310500275 374217903 /nfs/dbraw/zinc/21/79/03/374217903.db2.gz JBUFYOWHFSRIOF-FZMZJTMJSA-N 1 3 252.427 3.164 20 0 CGADHO C[C@@H](CN)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000310500275 374217910 /nfs/dbraw/zinc/21/79/10/374217910.db2.gz JBUFYOWHFSRIOF-FZMZJTMJSA-N 1 3 252.427 3.164 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)CN(C)C ZINC000310744366 374222950 /nfs/dbraw/zinc/22/29/50/374222950.db2.gz IKGADGVELRLICW-STQMWFEESA-N 1 3 268.832 3.058 20 0 CGADHO Cc1csc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c1 ZINC000453330409 374424544 /nfs/dbraw/zinc/42/45/44/374424544.db2.gz YTWVBYAKGLXGDJ-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000453330409 374424550 /nfs/dbraw/zinc/42/45/50/374424550.db2.gz YTWVBYAKGLXGDJ-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO Cc1csc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000453330409 374424561 /nfs/dbraw/zinc/42/45/61/374424561.db2.gz YTWVBYAKGLXGDJ-ZNMIVQPWSA-N 1 3 264.438 3.019 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CC(C)(C)OC1(C)C)N1CCCCC1 ZINC000184508780 374534538 /nfs/dbraw/zinc/53/45/38/374534538.db2.gz YFPULQZPXPQSPL-LSDHHAIUSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@@H](CCN[C@@H]1CC(C)(C)OC1(C)C)[NH+]1CCCCC1 ZINC000184508780 374534542 /nfs/dbraw/zinc/53/45/42/374534542.db2.gz YFPULQZPXPQSPL-LSDHHAIUSA-N 1 3 282.472 3.187 20 0 CGADHO CC[C@@H](C)C[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000091796087 541969985 /nfs/dbraw/zinc/96/99/85/541969985.db2.gz IBLQEXMRSHNDLA-OAHLLOKOSA-N 1 3 278.440 3.105 20 0 CGADHO CC[C@@H](C)C[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000091796087 541969989 /nfs/dbraw/zinc/96/99/89/541969989.db2.gz IBLQEXMRSHNDLA-OAHLLOKOSA-N 1 3 278.440 3.105 20 0 CGADHO CC(C)CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185706314 374719097 /nfs/dbraw/zinc/71/90/97/374719097.db2.gz PREFDRQUSZLXGY-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000186393449 374842709 /nfs/dbraw/zinc/84/27/09/374842709.db2.gz RYBFRPVCQLNBIM-HNNXBMFYSA-N 1 3 287.451 3.466 20 0 CGADHO CCCc1cccc(C[N@@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000186981293 374949865 /nfs/dbraw/zinc/94/98/65/374949865.db2.gz PQDVFUQVKHJIPK-QGZVFWFLSA-N 1 3 260.425 3.023 20 0 CGADHO CCCc1cccc(C[N@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000186981293 374949874 /nfs/dbraw/zinc/94/98/74/374949874.db2.gz PQDVFUQVKHJIPK-QGZVFWFLSA-N 1 3 260.425 3.023 20 0 CGADHO CCCc1cccc(CNC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000187226638 374988850 /nfs/dbraw/zinc/98/88/50/374988850.db2.gz KNFLQBLJBTZCFF-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO CCCc1cccc(CNC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000187226638 374988853 /nfs/dbraw/zinc/98/88/53/374988853.db2.gz KNFLQBLJBTZCFF-KRWDZBQOSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000187285920 374997831 /nfs/dbraw/zinc/99/78/31/374997831.db2.gz AARNPZZWYSINSP-UONOGXRCSA-N 1 3 280.843 3.327 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000187285920 374997834 /nfs/dbraw/zinc/99/78/34/374997834.db2.gz AARNPZZWYSINSP-UONOGXRCSA-N 1 3 280.843 3.327 20 0 CGADHO CC(C)COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000491591076 375334597 /nfs/dbraw/zinc/33/45/97/375334597.db2.gz HIDPUWWNSNOJOW-HNNXBMFYSA-N 1 3 278.440 3.009 20 0 CGADHO CC[N@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000123884801 542030559 /nfs/dbraw/zinc/03/05/59/542030559.db2.gz PMGNCQKAWCWPGP-UHFFFAOYSA-N 1 3 272.436 3.487 20 0 CGADHO CC[N@@H+](Cc1cccc2c1CCNC2)C1CCCCC1 ZINC000123884801 542030561 /nfs/dbraw/zinc/03/05/61/542030561.db2.gz PMGNCQKAWCWPGP-UHFFFAOYSA-N 1 3 272.436 3.487 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192720696 375782631 /nfs/dbraw/zinc/78/26/31/375782631.db2.gz NWVCKQVOJBVKJY-MAUKXSAKSA-N 1 3 287.451 3.255 20 0 CGADHO FC(F)C1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000336406189 375791371 /nfs/dbraw/zinc/79/13/71/375791371.db2.gz FDIBUJVCQIQLMP-CLRIEMFWSA-N 1 3 272.383 3.027 20 0 CGADHO FC(F)O[C@@H]1CCCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000337389505 376217437 /nfs/dbraw/zinc/21/74/37/376217437.db2.gz GVEICRPMAOUIHH-UONOGXRCSA-N 1 3 290.398 3.002 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000538750745 376267782 /nfs/dbraw/zinc/26/77/82/376267782.db2.gz WGWXTOVYBQHYQS-UHOSZYNNSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000538750745 376267784 /nfs/dbraw/zinc/26/77/84/376267784.db2.gz WGWXTOVYBQHYQS-UHOSZYNNSA-N 1 3 286.463 3.454 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000538750745 376267788 /nfs/dbraw/zinc/26/77/88/376267788.db2.gz WGWXTOVYBQHYQS-UHOSZYNNSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000226326440 376351294 /nfs/dbraw/zinc/35/12/94/376351294.db2.gz CDFZBTFQTSFGMB-RYUDHWBXSA-N 1 3 268.351 3.087 20 0 CGADHO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)s1 ZINC000539896293 376345148 /nfs/dbraw/zinc/34/51/48/376345148.db2.gz KVPSQOWHKAKIMK-XJKSGUPXSA-N 1 3 278.465 3.227 20 0 CGADHO CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)s1 ZINC000539896293 376345153 /nfs/dbraw/zinc/34/51/53/376345153.db2.gz KVPSQOWHKAKIMK-XJKSGUPXSA-N 1 3 278.465 3.227 20 0 CGADHO CCCC[C@@H](CC)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000539073692 376291159 /nfs/dbraw/zinc/29/11/59/376291159.db2.gz WYRIRVBWOWVFCW-IXDOHACOSA-N 1 3 284.488 3.434 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000228474662 376436179 /nfs/dbraw/zinc/43/61/79/376436179.db2.gz DIFAGWRYTWNVEK-NWANDNLSSA-N 1 3 298.352 3.265 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(C4CC4)c3)C[C@H]21 ZINC000228536660 376440048 /nfs/dbraw/zinc/44/00/48/376440048.db2.gz UVDGKGYPHOEWJS-RCCFBDPRSA-N 1 3 270.420 3.123 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(C4CC4)c3)C[C@@H]21 ZINC000230126447 376486346 /nfs/dbraw/zinc/48/63/46/376486346.db2.gz UVDGKGYPHOEWJS-FGTMMUONSA-N 1 3 270.420 3.123 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000543091496 376605714 /nfs/dbraw/zinc/60/57/14/376605714.db2.gz LXOZJDRPCQBSBB-RDJZCZTQSA-N 1 3 292.492 3.487 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000543091496 376605719 /nfs/dbraw/zinc/60/57/19/376605719.db2.gz LXOZJDRPCQBSBB-RDJZCZTQSA-N 1 3 292.492 3.487 20 0 CGADHO CSCCCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000235131900 376631946 /nfs/dbraw/zinc/63/19/46/376631946.db2.gz WVKWQPAOKNNYAN-UHFFFAOYSA-N 1 3 293.480 3.173 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000245441432 376817522 /nfs/dbraw/zinc/81/75/22/376817522.db2.gz HJDUAXUXAZNJBT-HOTGVXAUSA-N 1 3 260.425 3.064 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000245441432 376817532 /nfs/dbraw/zinc/81/75/32/376817532.db2.gz HJDUAXUXAZNJBT-HOTGVXAUSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000245441432 376817539 /nfs/dbraw/zinc/81/75/39/376817539.db2.gz HJDUAXUXAZNJBT-HOTGVXAUSA-N 1 3 260.425 3.064 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000245441432 376817545 /nfs/dbraw/zinc/81/75/45/376817545.db2.gz HJDUAXUXAZNJBT-HOTGVXAUSA-N 1 3 260.425 3.064 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)[C@@H](C)C2 ZINC000246034292 376956168 /nfs/dbraw/zinc/95/61/68/376956168.db2.gz WIORRIUXJWBBHJ-QMTMVMCOSA-N 1 3 284.447 3.302 20 0 CGADHO Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)[C@@H](C)C2 ZINC000246034292 376956178 /nfs/dbraw/zinc/95/61/78/376956178.db2.gz WIORRIUXJWBBHJ-QMTMVMCOSA-N 1 3 284.447 3.302 20 0 CGADHO C[C@@H](CNCCc1ccc(F)cc1Cl)C[NH+]1CCCC1 ZINC000558566594 377021504 /nfs/dbraw/zinc/02/15/04/377021504.db2.gz QFEFMLDAXWBCOM-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO C[C@@H](C[NH2+]CCc1ccc(F)cc1Cl)CN1CCCC1 ZINC000558566594 377021512 /nfs/dbraw/zinc/02/15/12/377021512.db2.gz QFEFMLDAXWBCOM-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246406987 377024025 /nfs/dbraw/zinc/02/40/25/377024025.db2.gz AWHXLLDYEJNJDU-DOTOQJQBSA-N 1 3 260.425 3.157 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000246406987 377024032 /nfs/dbraw/zinc/02/40/32/377024032.db2.gz AWHXLLDYEJNJDU-DOTOQJQBSA-N 1 3 260.425 3.157 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246604204 377059868 /nfs/dbraw/zinc/05/98/68/377059868.db2.gz GJJUNWGWVDVILD-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246604204 377059878 /nfs/dbraw/zinc/05/98/78/377059878.db2.gz GJJUNWGWVDVILD-RDJZCZTQSA-N 1 3 260.425 3.218 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000340524980 377122902 /nfs/dbraw/zinc/12/29/02/377122902.db2.gz UQPYPVYQXIQVOA-JQFCIGGWSA-N 1 3 294.414 3.168 20 0 CGADHO CC(C)CSCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000246618727 377063697 /nfs/dbraw/zinc/06/36/97/377063697.db2.gz IHHDKQOPZZLPEN-JKSUJKDBSA-N 1 3 284.513 3.182 20 0 CGADHO CC(C)CSCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000246618727 377063702 /nfs/dbraw/zinc/06/37/02/377063702.db2.gz IHHDKQOPZZLPEN-JKSUJKDBSA-N 1 3 284.513 3.182 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000559431812 377086826 /nfs/dbraw/zinc/08/68/26/377086826.db2.gz AGNABHSQZLCPTJ-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000559431812 377086830 /nfs/dbraw/zinc/08/68/30/377086830.db2.gz AGNABHSQZLCPTJ-CABCVRRESA-N 1 3 252.446 3.229 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000247048874 377148130 /nfs/dbraw/zinc/14/81/30/377148130.db2.gz NCDBLVJTBYRVTA-KGLIPLIRSA-N 1 3 266.454 3.439 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000247120726 377161437 /nfs/dbraw/zinc/16/14/37/377161437.db2.gz RDCSXWXZYVBURK-HDMKZQKVSA-N 1 3 272.436 3.241 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000247120726 377161452 /nfs/dbraw/zinc/16/14/52/377161452.db2.gz RDCSXWXZYVBURK-HDMKZQKVSA-N 1 3 272.436 3.241 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000247120726 377161456 /nfs/dbraw/zinc/16/14/56/377161456.db2.gz RDCSXWXZYVBURK-HDMKZQKVSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247127703 377165732 /nfs/dbraw/zinc/16/57/32/377165732.db2.gz QCQVZHXRIFGHAM-GRZALLJUSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000247127703 377165742 /nfs/dbraw/zinc/16/57/42/377165742.db2.gz QCQVZHXRIFGHAM-GRZALLJUSA-N 1 3 272.436 3.382 20 0 CGADHO CC[N@@H+]1CC[C@@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248027816 377258724 /nfs/dbraw/zinc/25/87/24/377258724.db2.gz POOMDRSTNZMWJF-GOEBONIOSA-N 1 3 278.465 3.099 20 0 CGADHO CC[N@H+]1CC[C@@H](NCCSc2ccccc2)[C@@H](C)C1 ZINC000248027816 377258730 /nfs/dbraw/zinc/25/87/30/377258730.db2.gz POOMDRSTNZMWJF-GOEBONIOSA-N 1 3 278.465 3.099 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)N1CCCCC1 ZINC000248497347 377330075 /nfs/dbraw/zinc/33/00/75/377330075.db2.gz RFWPIWDINXBDAK-VQHPVUNQSA-N 1 3 294.483 3.044 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccnc1 ZINC000248492313 377330515 /nfs/dbraw/zinc/33/05/15/377330515.db2.gz JEQVWEJNLSAXOK-ZACQAIPSSA-N 1 3 275.440 3.385 20 0 CGADHO CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248390145 377302511 /nfs/dbraw/zinc/30/25/11/377302511.db2.gz BGLAKMKTKNXVLR-ZNMIVQPWSA-N 1 3 252.446 3.418 20 0 CGADHO CC(C)[NH2+]CCCN[C@H](C)CCc1c(F)cccc1F ZINC000562956235 377376589 /nfs/dbraw/zinc/37/65/89/377376589.db2.gz KQZPKTHROVSLCU-CYBMUJFWSA-N 1 3 284.394 3.264 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000249191961 377476306 /nfs/dbraw/zinc/47/63/06/377476306.db2.gz AARNPZZWYSINSP-KBPBESRZSA-N 1 3 280.843 3.327 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000249191961 377476316 /nfs/dbraw/zinc/47/63/16/377476316.db2.gz AARNPZZWYSINSP-KBPBESRZSA-N 1 3 280.843 3.327 20 0 CGADHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2sccc21 ZINC000349716729 284639847 /nfs/dbraw/zinc/63/98/47/284639847.db2.gz AGTVFCQRDOKBTE-OAHLLOKOSA-N 1 3 296.480 3.074 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccs1 ZINC000037644218 249002827 /nfs/dbraw/zinc/00/28/27/249002827.db2.gz IZMPJXOOCRLFQB-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1cccs1 ZINC000037644218 249002829 /nfs/dbraw/zinc/00/28/29/249002829.db2.gz IZMPJXOOCRLFQB-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1cccs1 ZINC000037644218 249002832 /nfs/dbraw/zinc/00/28/32/249002832.db2.gz IZMPJXOOCRLFQB-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO CCc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166644501 542175699 /nfs/dbraw/zinc/17/56/99/542175699.db2.gz ZUOBAUDDJLZMNX-ZWKOTPCHSA-N 1 3 272.436 3.008 20 0 CGADHO CCc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166644501 542175703 /nfs/dbraw/zinc/17/57/03/542175703.db2.gz ZUOBAUDDJLZMNX-ZWKOTPCHSA-N 1 3 272.436 3.008 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000166831909 542174602 /nfs/dbraw/zinc/17/46/02/542174602.db2.gz UZAKKBRPOMXFBH-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000166831909 542174605 /nfs/dbraw/zinc/17/46/05/542174605.db2.gz UZAKKBRPOMXFBH-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000166831909 542174608 /nfs/dbraw/zinc/17/46/08/542174608.db2.gz UZAKKBRPOMXFBH-HZPDHXFCSA-N 1 3 264.457 3.419 20 0 CGADHO CC(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000166801224 542174663 /nfs/dbraw/zinc/17/46/63/542174663.db2.gz OAGRAOYZVWZXEO-KSZLIROESA-N 1 3 287.451 3.038 20 0 CGADHO CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000166801224 542174665 /nfs/dbraw/zinc/17/46/65/542174665.db2.gz OAGRAOYZVWZXEO-KSZLIROESA-N 1 3 287.451 3.038 20 0 CGADHO CCO[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000166764453 542175057 /nfs/dbraw/zinc/17/50/57/542175057.db2.gz AZWYLKKABWWSLJ-RCCFBDPRSA-N 1 3 294.483 3.188 20 0 CGADHO CCO[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000166764453 542175060 /nfs/dbraw/zinc/17/50/60/542175060.db2.gz AZWYLKKABWWSLJ-RCCFBDPRSA-N 1 3 294.483 3.188 20 0 CGADHO CCCCOc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000469860620 249160604 /nfs/dbraw/zinc/16/06/04/249160604.db2.gz GGJQFHJHZWXEPC-HOCLYGCPSA-N 1 3 276.424 3.035 20 0 CGADHO c1ccc(CC[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC000469880104 249161280 /nfs/dbraw/zinc/16/12/80/249161280.db2.gz PPASIFRWEZKJIH-SFHVURJKSA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc(CC[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC000469880104 249161281 /nfs/dbraw/zinc/16/12/81/249161281.db2.gz PPASIFRWEZKJIH-SFHVURJKSA-N 1 3 286.463 3.473 20 0 CGADHO CN(CCc1cccc2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC000469875720 249161467 /nfs/dbraw/zinc/16/14/67/249161467.db2.gz YCUHZKBKLMCJEO-MRXNPFEDSA-N 1 3 282.431 3.314 20 0 CGADHO C[N@H+](CCc1cccc2ccccc21)C[C@@H]1CCCNC1 ZINC000469875720 249161469 /nfs/dbraw/zinc/16/14/69/249161469.db2.gz YCUHZKBKLMCJEO-MRXNPFEDSA-N 1 3 282.431 3.314 20 0 CGADHO C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1CCCNC1 ZINC000469875720 249161473 /nfs/dbraw/zinc/16/14/73/249161473.db2.gz YCUHZKBKLMCJEO-MRXNPFEDSA-N 1 3 282.431 3.314 20 0 CGADHO c1ccc2c(c1)cccc2CCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428045534 249131141 /nfs/dbraw/zinc/13/11/41/249131141.db2.gz QIHOLACNYMEFBI-UYAOXDASSA-N 1 3 294.442 3.456 20 0 CGADHO Fc1ccc(/C=C\CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000470015588 249166600 /nfs/dbraw/zinc/16/66/00/249166600.db2.gz OPIFDSICYKMXGB-KVLZDYKBSA-N 1 3 288.410 3.303 20 0 CGADHO CCSCC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000482136413 249170955 /nfs/dbraw/zinc/17/09/55/249170955.db2.gz PUPJZZQHXIDAAG-CABCVRRESA-N 1 3 272.502 3.230 20 0 CGADHO CCSCCN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482136413 249170958 /nfs/dbraw/zinc/17/09/58/249170958.db2.gz PUPJZZQHXIDAAG-CABCVRRESA-N 1 3 272.502 3.230 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251153218 377574629 /nfs/dbraw/zinc/57/46/29/377574629.db2.gz ILZWJSLGWARQDI-KZNAEPCWSA-N 1 3 272.436 3.395 20 0 CGADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CCCc2ccccc21 ZINC000251255791 377579036 /nfs/dbraw/zinc/57/90/36/377579036.db2.gz VFDPLFYYDUHVTO-UNEWFSDZSA-N 1 3 258.409 3.184 20 0 CGADHO Cc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000251205458 377576370 /nfs/dbraw/zinc/57/63/70/377576370.db2.gz ALDUYAMCQDGJQC-AVGNSLFASA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)s1 ZINC000251205458 377576376 /nfs/dbraw/zinc/57/63/76/377576376.db2.gz ALDUYAMCQDGJQC-AVGNSLFASA-N 1 3 252.427 3.225 20 0 CGADHO Cc1ccccc1[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000251187907 377576415 /nfs/dbraw/zinc/57/64/15/377576415.db2.gz YHHWHCDHNCEDAZ-JONQDZQNSA-N 1 3 258.409 3.271 20 0 CGADHO Cc1ccccc1[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251187907 377576419 /nfs/dbraw/zinc/57/64/19/377576419.db2.gz YHHWHCDHNCEDAZ-JONQDZQNSA-N 1 3 258.409 3.271 20 0 CGADHO CCC[C@@H](NCc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000517031552 249255056 /nfs/dbraw/zinc/25/50/56/249255056.db2.gz MCIAOGRZDMLCBE-QGZVFWFLSA-N 1 3 269.392 3.171 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252108637 377615428 /nfs/dbraw/zinc/61/54/28/377615428.db2.gz JGFLXROMRLPWQV-SIIHOXLZSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252108637 377615434 /nfs/dbraw/zinc/61/54/34/377615434.db2.gz JGFLXROMRLPWQV-SIIHOXLZSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546326 377816586 /nfs/dbraw/zinc/81/65/86/377816586.db2.gz KUNIWWLPRZXIDT-HUUCEWRRSA-N 1 3 284.403 3.091 20 0 CGADHO c1ccc2c(c1)CC(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000261595046 377823124 /nfs/dbraw/zinc/82/31/24/377823124.db2.gz CZNNJZQAEOSLPZ-IPMKNSEASA-N 1 3 284.447 3.054 20 0 CGADHO c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C2 ZINC000261595046 377823131 /nfs/dbraw/zinc/82/31/31/377823131.db2.gz CZNNJZQAEOSLPZ-IPMKNSEASA-N 1 3 284.447 3.054 20 0 CGADHO COc1ccc(CN2CC[C@@](C)(C[NH3+])C2)c2ccccc12 ZINC000261670327 377836922 /nfs/dbraw/zinc/83/69/22/377836922.db2.gz LKOFOFNXGRREEO-SFHVURJKSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc(C[N@@H+]2CC[C@@](C)(CN)C2)c2ccccc12 ZINC000261670327 377836926 /nfs/dbraw/zinc/83/69/26/377836926.db2.gz LKOFOFNXGRREEO-SFHVURJKSA-N 1 3 284.403 3.019 20 0 CGADHO COc1ccc(C[N@H+]2CC[C@@](C)(CN)C2)c2ccccc12 ZINC000261670327 377836932 /nfs/dbraw/zinc/83/69/32/377836932.db2.gz LKOFOFNXGRREEO-SFHVURJKSA-N 1 3 284.403 3.019 20 0 CGADHO CC(C)c1ccc(CC[N@H+](C)C2CCNCC2)cc1 ZINC000258815368 377800120 /nfs/dbraw/zinc/80/01/20/377800120.db2.gz CQTTWENMTOHUPT-UHFFFAOYSA-N 1 3 260.425 3.036 20 0 CGADHO CC(C)c1ccc(CC[N@@H+](C)C2CCNCC2)cc1 ZINC000258815368 377800129 /nfs/dbraw/zinc/80/01/29/377800129.db2.gz CQTTWENMTOHUPT-UHFFFAOYSA-N 1 3 260.425 3.036 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC000577865456 378019250 /nfs/dbraw/zinc/01/92/50/378019250.db2.gz BJNQCNQXBZKLRP-MSOLQXFVSA-N 1 3 268.404 3.242 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc3ccccc3c2)C1 ZINC000577865456 378019254 /nfs/dbraw/zinc/01/92/54/378019254.db2.gz BJNQCNQXBZKLRP-MSOLQXFVSA-N 1 3 268.404 3.242 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000579834918 378200001 /nfs/dbraw/zinc/20/00/01/378200001.db2.gz CTUAHYSZQXXCNY-GOSISDBHSA-N 1 3 282.387 3.018 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000579973002 378214110 /nfs/dbraw/zinc/21/41/10/378214110.db2.gz RWTOXTYSQPOIEX-OIISXLGYSA-N 1 3 290.451 3.437 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCc3c2cccc3Cl)C1 ZINC000579701806 378184360 /nfs/dbraw/zinc/18/43/60/378184360.db2.gz LEHWDQQIIMQKEB-ZETOZRRWSA-N 1 3 264.800 3.187 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000581005724 378276007 /nfs/dbraw/zinc/27/60/07/378276007.db2.gz DPKDOLGOTCJOQW-CYBMUJFWSA-N 1 3 273.424 3.222 20 0 CGADHO N[C@@H]1CCC[N@H+](CCCc2cccc3ccccc32)C1 ZINC000346081640 378457469 /nfs/dbraw/zinc/45/74/69/378457469.db2.gz DPBSNIXPERXGCA-QGZVFWFLSA-N 1 3 268.404 3.196 20 0 CGADHO N[C@@H]1CCC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000346081640 378457474 /nfs/dbraw/zinc/45/74/74/378457474.db2.gz DPBSNIXPERXGCA-QGZVFWFLSA-N 1 3 268.404 3.196 20 0 CGADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC3(C)C)CC2)C1 ZINC000346564001 378623244 /nfs/dbraw/zinc/62/32/44/378623244.db2.gz LOMCTVXDGTXUNI-BMFZPTHFSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CC3(C)C)CC2)C1 ZINC000346564001 378623251 /nfs/dbraw/zinc/62/32/51/378623251.db2.gz LOMCTVXDGTXUNI-BMFZPTHFSA-N 1 3 264.457 3.418 20 0 CGADHO Cc1scc(C[N@@H+](C)CC2CCN(C)CC2)c1C ZINC000638029452 378675590 /nfs/dbraw/zinc/67/55/90/378675590.db2.gz PPIQUEJGFVHMFV-UHFFFAOYSA-N 1 3 266.454 3.139 20 0 CGADHO Cc1scc(C[N@H+](C)CC2CCN(C)CC2)c1C ZINC000638029452 378675595 /nfs/dbraw/zinc/67/55/95/378675595.db2.gz PPIQUEJGFVHMFV-UHFFFAOYSA-N 1 3 266.454 3.139 20 0 CGADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCOC1CCC1 ZINC000347185301 378708969 /nfs/dbraw/zinc/70/89/69/378708969.db2.gz CKCMFZMXGKGXGN-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000347185301 378708976 /nfs/dbraw/zinc/70/89/76/378708976.db2.gz CKCMFZMXGKGXGN-NVXWUHKLSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCNc3ccccc32)CC[N@@H+]1C ZINC000348039923 378761627 /nfs/dbraw/zinc/76/16/27/378761627.db2.gz GDBUPWIPKGRBSL-CKEIUWERSA-N 1 3 273.424 3.006 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCNc3ccccc32)CC[N@H+]1C ZINC000348039923 378761634 /nfs/dbraw/zinc/76/16/34/378761634.db2.gz GDBUPWIPKGRBSL-CKEIUWERSA-N 1 3 273.424 3.006 20 0 CGADHO CC(C)[N@H+](Cc1ccc(Br)cc1)CC(C)(C)N ZINC000346849827 218036023 /nfs/dbraw/zinc/03/60/23/218036023.db2.gz SPRJGIDQNLWBIX-UHFFFAOYSA-N 1 3 299.256 3.397 20 0 CGADHO CC(C)[N@@H+](Cc1ccc(Br)cc1)CC(C)(C)N ZINC000346849827 218036026 /nfs/dbraw/zinc/03/60/26/218036026.db2.gz SPRJGIDQNLWBIX-UHFFFAOYSA-N 1 3 299.256 3.397 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1cc(C2CC2)no1 ZINC000638863117 378940487 /nfs/dbraw/zinc/94/04/87/378940487.db2.gz JYMXZSCPDLBQEG-ZDUSSCGKSA-N 1 3 279.428 3.152 20 0 CGADHO C[C@H]([NH3+])C1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000347051870 218106627 /nfs/dbraw/zinc/10/66/27/218106627.db2.gz RQGHNGLIZQIENW-JDGPPOGSSA-N 1 3 280.362 3.037 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131581 218133309 /nfs/dbraw/zinc/13/33/09/218133309.db2.gz RIPODYXACWSPCS-HNAYVOBHSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152894 218139806 /nfs/dbraw/zinc/13/98/06/218139806.db2.gz BMXGKZFUNPDFON-HNAYVOBHSA-N 1 3 295.430 3.450 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000347152894 218139807 /nfs/dbraw/zinc/13/98/07/218139807.db2.gz BMXGKZFUNPDFON-HNAYVOBHSA-N 1 3 295.430 3.450 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]CCC1CCOCC1 ZINC000639064818 378998741 /nfs/dbraw/zinc/99/87/41/378998741.db2.gz CXDQARSPRZANHP-UHFFFAOYSA-N 1 3 296.499 3.437 20 0 CGADHO CC[NH2+]CC1CCN(C/C=C\c2ccccc2OC)CC1 ZINC000347186297 218148079 /nfs/dbraw/zinc/14/80/79/218148079.db2.gz ZWHSVFVFJDCJSK-VURMDHGXSA-N 1 3 288.435 3.030 20 0 CGADHO CCCNc1ccc(CNC2CC[NH+](CC)CC2)cc1 ZINC000278673146 194096196 /nfs/dbraw/zinc/09/61/96/194096196.db2.gz JIVHCFPXIOHKSX-UHFFFAOYSA-N 1 3 275.440 3.082 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000639169581 379090117 /nfs/dbraw/zinc/09/01/17/379090117.db2.gz GALSOBNURDNFEI-IAGOWNOFSA-N 1 3 286.463 3.111 20 0 CGADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cn1 ZINC000278391341 379370630 /nfs/dbraw/zinc/37/06/30/379370630.db2.gz FVYURNKIPJFWJX-LBPRGKRZSA-N 1 3 293.842 3.260 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534015 379457843 /nfs/dbraw/zinc/45/78/43/379457843.db2.gz SVSMNVFEZJGMPI-RDTXWAMCSA-N 1 3 289.467 3.169 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000639534015 379457849 /nfs/dbraw/zinc/45/78/49/379457849.db2.gz SVSMNVFEZJGMPI-RDTXWAMCSA-N 1 3 289.467 3.169 20 0 CGADHO CCC1([NH+]2CCCC2)CCN(CC2CC=CC2)CC1 ZINC000639987720 379676263 /nfs/dbraw/zinc/67/62/63/379676263.db2.gz OBSKBULSBQCZSB-UHFFFAOYSA-N 1 3 262.441 3.293 20 0 CGADHO CCCC[N@H+](C)CC1CCN(CCCC(=O)CC)CC1 ZINC000347733573 218338916 /nfs/dbraw/zinc/33/89/16/218338916.db2.gz FYEXHIUNBDZMIM-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(CCCC(=O)CC)CC1 ZINC000347733573 218338917 /nfs/dbraw/zinc/33/89/17/218338917.db2.gz FYEXHIUNBDZMIM-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO CN1CC=C(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000392250861 379911559 /nfs/dbraw/zinc/91/15/59/379911559.db2.gz VOZBXRVZQYZYDV-UHFFFAOYSA-N 1 3 272.436 3.336 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000392864079 379913465 /nfs/dbraw/zinc/91/34/65/379913465.db2.gz GAZFPAQHUJZESF-LSDHHAIUSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c1 ZINC000267913404 190362467 /nfs/dbraw/zinc/36/24/67/190362467.db2.gz FMWDLFUQGHNCBN-MAUKXSAKSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc[nH]c1 ZINC000267913404 190362468 /nfs/dbraw/zinc/36/24/68/190362468.db2.gz FMWDLFUQGHNCBN-MAUKXSAKSA-N 1 3 283.419 3.015 20 0 CGADHO C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000347913618 218398441 /nfs/dbraw/zinc/39/84/41/218398441.db2.gz APBKEVKQVPBPQT-SJLPKXTDSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@@H](NCCc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347913618 218398442 /nfs/dbraw/zinc/39/84/42/218398442.db2.gz APBKEVKQVPBPQT-SJLPKXTDSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@@H](NCCc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347913618 218398444 /nfs/dbraw/zinc/39/84/44/218398444.db2.gz APBKEVKQVPBPQT-SJLPKXTDSA-N 1 3 298.430 3.322 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000410394594 380092099 /nfs/dbraw/zinc/09/20/99/380092099.db2.gz BZRHLLZNBJZJSH-HZPDHXFCSA-N 1 3 254.462 3.332 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000410394594 380092108 /nfs/dbraw/zinc/09/21/08/380092108.db2.gz BZRHLLZNBJZJSH-HZPDHXFCSA-N 1 3 254.462 3.332 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CCCCC2CCOCC2)C1 ZINC000410394787 380093684 /nfs/dbraw/zinc/09/36/84/380093684.db2.gz FRBMTJTWKJXQHO-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CCCCC2CCOCC2)C1 ZINC000410394787 380093690 /nfs/dbraw/zinc/09/36/90/380093690.db2.gz FRBMTJTWKJXQHO-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000410394787 380093692 /nfs/dbraw/zinc/09/36/92/380093692.db2.gz FRBMTJTWKJXQHO-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410394787 380093695 /nfs/dbraw/zinc/09/36/95/380093695.db2.gz FRBMTJTWKJXQHO-GOSISDBHSA-N 1 3 296.499 3.247 20 0 CGADHO CC1(C)[C@H](NCCc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000641801701 380111691 /nfs/dbraw/zinc/11/16/91/380111691.db2.gz DZHOQMDIRDZROO-DLBZAZTESA-N 1 3 268.404 3.098 20 0 CGADHO Cc1c([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)cnn1C(C)C ZINC000414196016 380201128 /nfs/dbraw/zinc/20/11/28/380201128.db2.gz UXZAYFFNVATBBR-GDBMZVCRSA-N 1 3 292.471 3.155 20 0 CGADHO Cc1c([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cnn1C(C)C ZINC000414196016 380201133 /nfs/dbraw/zinc/20/11/33/380201133.db2.gz UXZAYFFNVATBBR-GDBMZVCRSA-N 1 3 292.471 3.155 20 0 CGADHO CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000643521690 380337466 /nfs/dbraw/zinc/33/74/66/380337466.db2.gz WLYPGCFXNISEEL-WBVHZDCISA-N 1 3 276.424 3.268 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)c1ccncc1 ZINC000643460288 380312087 /nfs/dbraw/zinc/31/20/87/380312087.db2.gz MWDZCUUZZFKZJD-BFYDXBDKSA-N 1 3 275.440 3.086 20 0 CGADHO CC(C)(CC[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000643463540 380312304 /nfs/dbraw/zinc/31/23/04/380312304.db2.gz COCIJQYOSKADAA-NVXWUHKLSA-N 1 3 274.452 3.461 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)c2ccccc21 ZINC000643547792 380363768 /nfs/dbraw/zinc/36/37/68/380363768.db2.gz JAPRIZQMDGKPKT-CPUCHLNUSA-N 1 3 270.420 3.499 20 0 CGADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690342 380376860 /nfs/dbraw/zinc/37/68/60/380376860.db2.gz AIIBDRXDRQKDQP-FUHWJXTLSA-N 1 3 289.467 3.263 20 0 CGADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000414690342 380376865 /nfs/dbraw/zinc/37/68/65/380376865.db2.gz AIIBDRXDRQKDQP-FUHWJXTLSA-N 1 3 289.467 3.263 20 0 CGADHO CC[N@H+](C[C@@H]1CCCC[C@@H]1C)[C@H]1CCCNCC1 ZINC000414715279 380384921 /nfs/dbraw/zinc/38/49/21/380384921.db2.gz MUPVPUWKXWQVLT-JYJNAYRXSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCCC[C@@H]1C)[C@H]1CCCNCC1 ZINC000414715279 380384925 /nfs/dbraw/zinc/38/49/25/380384925.db2.gz MUPVPUWKXWQVLT-JYJNAYRXSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000643523301 380339373 /nfs/dbraw/zinc/33/93/73/380339373.db2.gz ZSBVSLRLEDIFCC-GUYCJALGSA-N 1 3 283.419 3.277 20 0 CGADHO Cc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c(C)n1 ZINC000643523620 380339462 /nfs/dbraw/zinc/33/94/62/380339462.db2.gz BBQBOVJAXCMNDB-CYBMUJFWSA-N 1 3 281.403 3.152 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000643524205 380340459 /nfs/dbraw/zinc/34/04/59/380340459.db2.gz VKCBXNRCALADNZ-SIXLDLHFSA-N 1 3 276.399 3.321 20 0 CGADHO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C)[NH3+] ZINC000643528634 380344152 /nfs/dbraw/zinc/34/41/52/380344152.db2.gz MHFPNRAGXJZWBZ-CABZTGNLSA-N 1 3 275.223 3.251 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](C)[NH3+] ZINC000643528633 380344987 /nfs/dbraw/zinc/34/49/87/380344987.db2.gz MHFPNRAGXJZWBZ-BXKDBHETSA-N 1 3 275.223 3.251 20 0 CGADHO CC(C)=CCOc1ccc(CC[C@@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643528137 380345453 /nfs/dbraw/zinc/34/54/53/380345453.db2.gz DGHNVXFIALSGSH-JKSUJKDBSA-N 1 3 290.451 3.290 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)c(F)c1 ZINC000643535701 380351901 /nfs/dbraw/zinc/35/19/01/380351901.db2.gz OSMCLTDEZWXIGO-QMTHXVAHSA-N 1 3 282.790 3.272 20 0 CGADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc2ccccc2n1 ZINC000643536304 380352186 /nfs/dbraw/zinc/35/21/86/380352186.db2.gz SRKKHUFIJREUMU-CXAGYDPISA-N 1 3 281.403 3.028 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414655665 380353697 /nfs/dbraw/zinc/35/36/97/380353697.db2.gz DSXPCNIAPBOIDC-IDCNUPLLSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000414655665 380353702 /nfs/dbraw/zinc/35/37/02/380353702.db2.gz DSXPCNIAPBOIDC-IDCNUPLLSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546922 380361401 /nfs/dbraw/zinc/36/14/01/380361401.db2.gz WVDPZOVHIWUAND-KMFMINBZSA-N 1 3 270.420 3.184 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546922 380361407 /nfs/dbraw/zinc/36/14/07/380361407.db2.gz WVDPZOVHIWUAND-KMFMINBZSA-N 1 3 270.420 3.184 20 0 CGADHO C[C@H]([NH2+]CCCC1CCCCC1)[C@H]1CCCNC1 ZINC000414821890 380432565 /nfs/dbraw/zinc/43/25/65/380432565.db2.gz MGFBLZFOSRSCRS-HOCLYGCPSA-N 1 3 252.446 3.325 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828803 380438077 /nfs/dbraw/zinc/43/80/77/380438077.db2.gz NBBHPKVYUHJIGC-QIXHYMPYSA-N 1 3 276.399 3.019 20 0 CGADHO C[C@@H](NCc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000414855672 380458054 /nfs/dbraw/zinc/45/80/54/380458054.db2.gz NFTXGSIEVCMJLW-RDTXWAMCSA-N 1 3 268.404 3.318 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000414850594 380454546 /nfs/dbraw/zinc/45/45/46/380454546.db2.gz ZHRUVCZTOHESKJ-QWRGUYRKSA-N 1 3 274.861 3.168 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414850594 380454555 /nfs/dbraw/zinc/45/45/55/380454555.db2.gz ZHRUVCZTOHESKJ-QWRGUYRKSA-N 1 3 274.861 3.168 20 0 CGADHO Cc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000414784189 380402256 /nfs/dbraw/zinc/40/22/56/380402256.db2.gz QWIJCSBEEIZSIM-JKSUJKDBSA-N 1 3 292.854 3.470 20 0 CGADHO Fc1ccc(Cl)cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781472 380403194 /nfs/dbraw/zinc/40/31/94/380403194.db2.gz MYIVQVMXVNQPPG-STQMWFEESA-N 1 3 296.817 3.301 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414793582 380408223 /nfs/dbraw/zinc/40/82/23/380408223.db2.gz KTZJVLWHWFYIBO-BBWFWOEESA-N 1 3 260.425 3.070 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@H]2NC[C@H]2CCC[NH2+]2)cc1 ZINC000414854483 380456043 /nfs/dbraw/zinc/45/60/43/380456043.db2.gz ZLOFWOFUGSGAIC-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCCN2)cc1 ZINC000414854483 380456049 /nfs/dbraw/zinc/45/60/49/380456049.db2.gz ZLOFWOFUGSGAIC-RCCFBDPRSA-N 1 3 272.436 3.130 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000414800042 380412651 /nfs/dbraw/zinc/41/26/51/380412651.db2.gz KNEMEKRXYBXXPY-HOTGVXAUSA-N 1 3 278.465 3.027 20 0 CGADHO CC(C)[C@H]([NH3+])CNC(Cc1ccccc1)Cc1ccccc1 ZINC000414801117 380414796 /nfs/dbraw/zinc/41/47/96/380414796.db2.gz TVMIGKQUAATGOK-HXUWFJFHSA-N 1 3 296.458 3.413 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414805270 380418261 /nfs/dbraw/zinc/41/82/61/380418261.db2.gz PMJOTNPROJQRHM-FUHWJXTLSA-N 1 3 290.451 3.343 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414807780 380420301 /nfs/dbraw/zinc/42/03/01/380420301.db2.gz JUCLZMBVHKKZLX-UHFFFAOYSA-N 1 3 271.408 3.150 20 0 CGADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918952 380489073 /nfs/dbraw/zinc/48/90/73/380489073.db2.gz VPKZFQPVBQNTQX-YOEHRIQHSA-N 1 3 278.415 3.126 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000414918581 380489115 /nfs/dbraw/zinc/48/91/15/380489115.db2.gz SIMVWWIMTYJMEI-GDBMZVCRSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414925137 380492403 /nfs/dbraw/zinc/49/24/03/380492403.db2.gz LASVNBAOVKOAFV-KCXAZCMYSA-N 1 3 264.388 3.006 20 0 CGADHO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2(C)CCNCC2)C1 ZINC000414932138 380494052 /nfs/dbraw/zinc/49/40/52/380494052.db2.gz CIYGJDDKVXYBSU-DLBZAZTESA-N 1 3 272.436 3.229 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(-c3cccnc3)c2)C1 ZINC000414933360 380494912 /nfs/dbraw/zinc/49/49/12/380494912.db2.gz WSUWKAODADLSDZ-ZWKOTPCHSA-N 1 3 281.403 3.108 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CCN1 ZINC000414948503 380501683 /nfs/dbraw/zinc/50/16/83/380501683.db2.gz MEKBTLAMNTZNCW-DDBAPUKQSA-N 1 3 272.436 3.128 20 0 CGADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415115109 380509517 /nfs/dbraw/zinc/50/95/17/380509517.db2.gz UECRTFNEZXSNTL-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415115109 380509521 /nfs/dbraw/zinc/50/95/21/380509521.db2.gz UECRTFNEZXSNTL-NXHRZFHOSA-N 1 3 272.436 3.254 20 0 CGADHO C[C@@H](CC[NH3+])NCc1cccc(Oc2ccccc2)c1 ZINC000414885630 380474635 /nfs/dbraw/zinc/47/46/35/380474635.db2.gz OYPYWLPYLXQWHD-AWEZNQCLSA-N 1 3 270.376 3.306 20 0 CGADHO C[C@H](CC[NH3+])NCc1cc(-c2ccccc2)cs1 ZINC000414890633 380475725 /nfs/dbraw/zinc/47/57/25/380475725.db2.gz UJXOCZXRMDFJDF-GFCCVEGCSA-N 1 3 260.406 3.242 20 0 CGADHO [NH3+][C@H](CN[C@H]1CCC[C@H]1c1ccccc1Cl)C1CC1 ZINC000414895268 380477615 /nfs/dbraw/zinc/47/76/15/380477615.db2.gz WOMDSBBHTRXJIL-IMJJTQAJSA-N 1 3 278.827 3.303 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899551 380479538 /nfs/dbraw/zinc/47/95/38/380479538.db2.gz CMCCJKVXJNCXNF-WMLDXEAASA-N 1 3 292.492 3.319 20 0 CGADHO CSc1ccccc1C[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414899551 380479540 /nfs/dbraw/zinc/47/95/40/380479540.db2.gz CMCCJKVXJNCXNF-WMLDXEAASA-N 1 3 292.492 3.319 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414901570 380482455 /nfs/dbraw/zinc/48/24/55/380482455.db2.gz GFCYMYNYTSQZGG-RHSMWYFYSA-N 1 3 278.415 3.126 20 0 CGADHO C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000644843041 380527411 /nfs/dbraw/zinc/52/74/11/380527411.db2.gz GBCFGSZCDDKPQE-SFHVURJKSA-N 1 3 270.420 3.092 20 0 CGADHO C[N@H+]1CC[C@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000644843041 380527414 /nfs/dbraw/zinc/52/74/14/380527414.db2.gz GBCFGSZCDDKPQE-SFHVURJKSA-N 1 3 270.420 3.092 20 0 CGADHO C[C@H](C[NH+]1CCC(OCCN(C)C)CC1)C1CCCCC1 ZINC000645087834 380575253 /nfs/dbraw/zinc/57/52/53/380575253.db2.gz RKZFVONZVWNEAP-MRXNPFEDSA-N 1 3 296.499 3.245 20 0 CGADHO Cc1ccccc1C1([NH2+]CC[C@@H]2CCCN2C)CC1 ZINC000645980417 380790878 /nfs/dbraw/zinc/79/08/78/380790878.db2.gz FZJCIYWGEKIFKP-HNNXBMFYSA-N 1 3 258.409 3.058 20 0 CGADHO CCC[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccn1 ZINC000356797115 380875722 /nfs/dbraw/zinc/87/57/22/380875722.db2.gz ZWZFRMMKOOCNMV-OAHLLOKOSA-N 1 3 275.440 3.244 20 0 CGADHO COc1ccc([C@H](C[NH3+])CN(C)CC2CCCCC2)cc1 ZINC000420321713 380848750 /nfs/dbraw/zinc/84/87/50/380848750.db2.gz RLDVGPKXNDNQKF-QGZVFWFLSA-N 1 3 290.451 3.250 20 0 CGADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000356844331 380899585 /nfs/dbraw/zinc/89/95/85/380899585.db2.gz HQDBHRQXOXNECE-XDNAFOTISA-N 1 3 284.447 3.285 20 0 CGADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(C)CC2)CC1 ZINC000358180579 381293517 /nfs/dbraw/zinc/29/35/17/381293517.db2.gz AQCVDAVGVXVFAO-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(C)CC2)CC1 ZINC000358180579 381293527 /nfs/dbraw/zinc/29/35/27/381293527.db2.gz AQCVDAVGVXVFAO-GOEBONIOSA-N 1 3 264.457 3.419 20 0 CGADHO COC(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358195850 381295362 /nfs/dbraw/zinc/29/53/62/381295362.db2.gz CWCHEXYBGLOCNU-GOEBONIOSA-N 1 3 282.472 3.044 20 0 CGADHO COC(C)(C)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358195850 381295367 /nfs/dbraw/zinc/29/53/67/381295367.db2.gz CWCHEXYBGLOCNU-GOEBONIOSA-N 1 3 282.472 3.044 20 0 CGADHO c1ccc(-c2cccc(C[NH2+]C3CCNCC3)c2)cc1 ZINC000204490059 542283442 /nfs/dbraw/zinc/28/34/42/542283442.db2.gz NLXUWFGHROMAGO-UHFFFAOYSA-N 1 3 266.388 3.195 20 0 CGADHO CC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CNCC2 ZINC000211937612 542284729 /nfs/dbraw/zinc/28/47/29/542284729.db2.gz ILQOMZZBJNKDDN-QGZVFWFLSA-N 1 3 258.409 3.097 20 0 CGADHO CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CNCC2 ZINC000211937612 542284733 /nfs/dbraw/zinc/28/47/33/542284733.db2.gz ILQOMZZBJNKDDN-QGZVFWFLSA-N 1 3 258.409 3.097 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(CCCc3ccsc3)CC[C@@H]21 ZINC000360969464 381634777 /nfs/dbraw/zinc/63/47/77/381634777.db2.gz GYIMYEDBAYQDOJ-HOTGVXAUSA-N 1 3 278.465 3.097 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(CCCc3ccsc3)CC[C@@H]21 ZINC000360969464 381634783 /nfs/dbraw/zinc/63/47/83/381634783.db2.gz GYIMYEDBAYQDOJ-HOTGVXAUSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969464 381634786 /nfs/dbraw/zinc/63/47/86/381634786.db2.gz GYIMYEDBAYQDOJ-HOTGVXAUSA-N 1 3 278.465 3.097 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCCc3ccsc3)CC[C@@H]21 ZINC000360969464 381634794 /nfs/dbraw/zinc/63/47/94/381634794.db2.gz GYIMYEDBAYQDOJ-HOTGVXAUSA-N 1 3 278.465 3.097 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000362506088 382024229 /nfs/dbraw/zinc/02/42/29/382024229.db2.gz QKFLNTRHLMDOLY-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712906 382105387 /nfs/dbraw/zinc/10/53/87/382105387.db2.gz BYEWHQIEFYTAFR-MBNYWOFBSA-N 1 3 289.448 3.430 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ncsc2c1 ZINC000362712906 382105389 /nfs/dbraw/zinc/10/53/89/382105389.db2.gz BYEWHQIEFYTAFR-MBNYWOFBSA-N 1 3 289.448 3.430 20 0 CGADHO CC[C@@H]1CN(Cc2ccc(C3CC3)cc2)CC[C@H]1[NH3+] ZINC000251595418 542346453 /nfs/dbraw/zinc/34/64/53/542346453.db2.gz CVTHUKVAXURZNT-RHSMWYFYSA-N 1 3 258.409 3.123 20 0 CGADHO CCc1ccccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250272504 542342618 /nfs/dbraw/zinc/34/26/18/542342618.db2.gz SDJGVTHCICPYLD-QZTJIDSGSA-N 1 3 272.436 3.213 20 0 CGADHO Cc1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000251001213 542345367 /nfs/dbraw/zinc/34/53/67/542345367.db2.gz KXPCYPYCKBTFKC-ZWKOTPCHSA-N 1 3 272.436 3.267 20 0 CGADHO C[N@H+]1CC=C(CN[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000271815521 542366639 /nfs/dbraw/zinc/36/66/39/542366639.db2.gz BIENNHLKTOCAGI-OAHLLOKOSA-N 1 3 292.423 3.214 20 0 CGADHO C[N@@H+]1CC=C(CN[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000271815521 542366644 /nfs/dbraw/zinc/36/66/44/542366644.db2.gz BIENNHLKTOCAGI-OAHLLOKOSA-N 1 3 292.423 3.214 20 0 CGADHO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000353775271 220321784 /nfs/dbraw/zinc/32/17/84/220321784.db2.gz KZYKSYCPJJRNQF-KEYYUXOJSA-N 1 3 276.424 3.076 20 0 CGADHO Cc1nccc(NC[C@@H](c2ccsc2)[NH+](C)C)c1Cl ZINC000350260262 219004292 /nfs/dbraw/zinc/00/42/92/219004292.db2.gz ZKWHIMKQTSYTNI-ZDUSSCGKSA-N 1 3 295.839 3.242 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000423401176 533176476 /nfs/dbraw/zinc/17/64/76/533176476.db2.gz VVEXPMWFHMUFLX-VRKREXBASA-N 1 3 276.424 3.047 20 0 CGADHO CC(C)C[C@H](CO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000305127843 542417125 /nfs/dbraw/zinc/41/71/25/542417125.db2.gz LWQQIFJFQQRHJF-CGTJXYLNSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)C[C@H](CO)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000305127843 542417129 /nfs/dbraw/zinc/41/71/29/542417129.db2.gz LWQQIFJFQQRHJF-CGTJXYLNSA-N 1 3 296.499 3.026 20 0 CGADHO C/C=C\C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309724574 542426026 /nfs/dbraw/zinc/42/60/26/542426026.db2.gz PDYGBRBGTKPYTC-MXTKCAFNSA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C\CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309724574 542426029 /nfs/dbraw/zinc/42/60/29/542426029.db2.gz PDYGBRBGTKPYTC-MXTKCAFNSA-N 1 3 258.409 3.063 20 0 CGADHO C/C=C\CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309724574 542426031 /nfs/dbraw/zinc/42/60/31/542426031.db2.gz PDYGBRBGTKPYTC-MXTKCAFNSA-N 1 3 258.409 3.063 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@@H]1C1CC1)N1CCCCC1 ZINC000348378478 542519166 /nfs/dbraw/zinc/51/91/66/542519166.db2.gz HGOTXVKBKGUTCJ-BMFZPTHFSA-N 1 3 250.430 3.029 20 0 CGADHO COc1ccc2cc([C@H](C)[NH2+]C[C@@H](N)C3CC3)ccc2c1 ZINC000423339184 533337039 /nfs/dbraw/zinc/33/70/39/533337039.db2.gz ZIJPTTKDUHYAGJ-KPZWWZAWSA-N 1 3 284.403 3.236 20 0 CGADHO C[C@@H]([NH2+]CCCNC1CC1)c1cc2c(s1)CCC2 ZINC000423533842 533385213 /nfs/dbraw/zinc/38/52/13/533385213.db2.gz YWXFFCQSWYPDGI-LLVKDONJSA-N 1 3 264.438 3.030 20 0 CGADHO C[C@@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000423402628 533511459 /nfs/dbraw/zinc/51/14/59/533511459.db2.gz RLPMHDVKAXLOHJ-PXAZEXFGSA-N 1 3 254.377 3.228 20 0 CGADHO C[C@@H]([NH2+][C@H](Cc1ccccc1F)c1ccccc1)[C@H](C)N ZINC000423461028 533537820 /nfs/dbraw/zinc/53/78/20/533537820.db2.gz JFWYNQRKRMJOBG-PMUMKWKESA-N 1 3 286.394 3.435 20 0 CGADHO COc1cccc(C[C@@H](NCC[C@H](C)[NH3+])c2ccccc2)c1 ZINC000423225137 533540498 /nfs/dbraw/zinc/54/04/98/533540498.db2.gz LILFSESDEONHQX-HNAYVOBHSA-N 1 3 298.430 3.306 20 0 CGADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000388243852 542604152 /nfs/dbraw/zinc/60/41/52/542604152.db2.gz FJRKVNMOXZWCKQ-IAQYHMDHSA-N 1 3 268.351 3.041 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@]1(C)CN ZINC000388243852 542604153 /nfs/dbraw/zinc/60/41/53/542604153.db2.gz FJRKVNMOXZWCKQ-IAQYHMDHSA-N 1 3 268.351 3.041 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@]1(C)CN ZINC000388243852 542604157 /nfs/dbraw/zinc/60/41/57/542604157.db2.gz FJRKVNMOXZWCKQ-IAQYHMDHSA-N 1 3 268.351 3.041 20 0 CGADHO Cc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000389404515 542608105 /nfs/dbraw/zinc/60/81/05/542608105.db2.gz JMUJXUIVNNIIME-OKILXGFUSA-N 1 3 278.827 3.080 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1Br ZINC000414926193 542640744 /nfs/dbraw/zinc/64/07/44/542640744.db2.gz MXBANLCPQACDKJ-CHWSQXEVSA-N 1 3 297.240 3.117 20 0 CGADHO CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2n1 ZINC000125686544 392440767 /nfs/dbraw/zinc/44/07/67/392440767.db2.gz SAVQBLZAYFVIQG-CVEARBPZSA-N 1 3 295.430 3.470 20 0 CGADHO CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000125686544 392440769 /nfs/dbraw/zinc/44/07/69/392440769.db2.gz SAVQBLZAYFVIQG-CVEARBPZSA-N 1 3 295.430 3.470 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130232688 392453125 /nfs/dbraw/zinc/45/31/25/392453125.db2.gz QFEOKHVJPQNRCM-HRCADAONSA-N 1 3 252.446 3.418 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000368466206 392491658 /nfs/dbraw/zinc/49/16/58/392491658.db2.gz PGBVWNMGRVKQPA-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000368466206 392491668 /nfs/dbraw/zinc/49/16/68/392491668.db2.gz PGBVWNMGRVKQPA-LSDHHAIUSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1cccc(OC)c1 ZINC000163232517 392603036 /nfs/dbraw/zinc/60/30/36/392603036.db2.gz QYMFFOJYHJNZSI-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)c1 ZINC000163232517 392603039 /nfs/dbraw/zinc/60/30/39/392603039.db2.gz QYMFFOJYHJNZSI-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(OC)c1 ZINC000163232517 392603042 /nfs/dbraw/zinc/60/30/42/392603042.db2.gz QYMFFOJYHJNZSI-WMLDXEAASA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000166506266 392608259 /nfs/dbraw/zinc/60/82/59/392608259.db2.gz LGGDEUNGMIERMM-KRWDZBQOSA-N 1 3 276.399 3.493 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(F)F ZINC000647318433 392662129 /nfs/dbraw/zinc/66/21/29/392662129.db2.gz PFCMUKBMAXUMIY-LLVKDONJSA-N 1 3 262.388 3.130 20 0 CGADHO CC[C@H]1CN(Cc2cc3ccccc3s2)CC[C@H]1[NH3+] ZINC000647498682 392742511 /nfs/dbraw/zinc/74/25/11/392742511.db2.gz MZORTZYENWBJQF-SWLSCSKDSA-N 1 3 274.433 3.461 20 0 CGADHO [NH3+]Cc1ccc(CNCc2ccccc2C2CC2)cc1 ZINC000647553025 392765793 /nfs/dbraw/zinc/76/57/93/392765793.db2.gz QSTUUWKTEAYYKU-UHFFFAOYSA-N 1 3 266.388 3.313 20 0 CGADHO C[NH+]1CCC2(CCCN2C/C=C/c2ccc(F)cc2)CC1 ZINC000375507584 392787375 /nfs/dbraw/zinc/78/73/75/392787375.db2.gz PEKUNECKWRAHAL-DUXPYHPUSA-N 1 3 288.410 3.399 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C/C=C/c2ccc(F)cc2)CC1 ZINC000375507584 392787380 /nfs/dbraw/zinc/78/73/80/392787380.db2.gz PEKUNECKWRAHAL-DUXPYHPUSA-N 1 3 288.410 3.399 20 0 CGADHO CN1CCC2(CCC[N@H+]2C/C=C/c2ccc(F)cc2)CC1 ZINC000375507584 392787384 /nfs/dbraw/zinc/78/73/84/392787384.db2.gz PEKUNECKWRAHAL-DUXPYHPUSA-N 1 3 288.410 3.399 20 0 CGADHO Clc1ccccc1C1(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647800927 392803070 /nfs/dbraw/zinc/80/30/70/392803070.db2.gz MINQIRLDZGEHKD-MGPQQGTHSA-N 1 3 290.838 3.307 20 0 CGADHO C[C@H]1CCC[C@H](CCN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815288 392808170 /nfs/dbraw/zinc/80/81/70/392808170.db2.gz XNNRFZJHNDRZHE-LSDHHAIUSA-N 1 3 264.457 3.419 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000510698953 392810071 /nfs/dbraw/zinc/81/00/71/392810071.db2.gz ANHNYXKMLSDCTR-OWCLPIDISA-N 1 3 270.436 3.226 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2N(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647889329 392826828 /nfs/dbraw/zinc/82/68/28/392826828.db2.gz HXYWCFRNLUMWBX-BPQIPLTHSA-N 1 3 272.436 3.172 20 0 CGADHO Cc1ccc(CCN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647904135 392828472 /nfs/dbraw/zinc/82/84/72/392828472.db2.gz XKYJDTZFFDLKBA-ROUUACIJSA-N 1 3 272.436 3.002 20 0 CGADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000647890822 392829161 /nfs/dbraw/zinc/82/91/61/392829161.db2.gz YZHIJKTUTONOIA-NUJGCVRESA-N 1 3 272.436 3.112 20 0 CGADHO Cc1cc(C)c([C@@H](C)N2CCC(C)([NH3+])CC2)c(C)c1 ZINC000647924835 392834463 /nfs/dbraw/zinc/83/44/63/392834463.db2.gz OCJRJGDRBBLWAA-OAHLLOKOSA-N 1 3 260.425 3.486 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC000512278714 392850548 /nfs/dbraw/zinc/85/05/48/392850548.db2.gz KLIOIHYBUAHFFH-IECFSIQFSA-N 1 3 296.499 3.290 20 0 CGADHO Cc1cccc([C@@H](NC[C@H]2CC[NH2+]C2)C(C)(C)C)c1 ZINC000647992268 392860443 /nfs/dbraw/zinc/86/04/43/392860443.db2.gz YMYGSSFDQMAXNU-GOEBONIOSA-N 1 3 260.425 3.281 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)CCO1 ZINC000648438680 393017206 /nfs/dbraw/zinc/01/72/06/393017206.db2.gz ZOXDKOGRHZQXGR-MSOLQXFVSA-N 1 3 294.483 3.188 20 0 CGADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCCC2)cc1 ZINC000414993763 393084121 /nfs/dbraw/zinc/08/41/21/393084121.db2.gz COCOFTPWMWFFRV-PBHICJAKSA-N 1 3 276.399 3.051 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000415006605 393089244 /nfs/dbraw/zinc/08/92/44/393089244.db2.gz KQWUGNKCOONQSD-KBPBESRZSA-N 1 3 254.377 3.179 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](CNCc2nc3ccc(F)cc3s2)C1 ZINC000415012435 393095427 /nfs/dbraw/zinc/09/54/27/393095427.db2.gz XEVKWEAUCLTFTN-PWSUYJOCSA-N 1 3 293.411 3.043 20 0 CGADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000415017313 393098477 /nfs/dbraw/zinc/09/84/77/393098477.db2.gz POUWZWZIGGGCOC-OLZOCXBDSA-N 1 3 288.366 3.443 20 0 CGADHO CC(C)(C)c1cnc(CNC[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000415017765 393098586 /nfs/dbraw/zinc/09/85/86/393098586.db2.gz ADNZLCHGFXTOFY-JOCQHMNTSA-N 1 3 295.496 3.295 20 0 CGADHO C1=CC[C@@H](C[N@@H+]2CCC[C@@H](N3CCCC3)CC2)CC1 ZINC000245808340 393047133 /nfs/dbraw/zinc/04/71/33/393047133.db2.gz YZDLRESFPMTBSL-IAGOWNOFSA-N 1 3 262.441 3.293 20 0 CGADHO C1=CC[C@@H](C[N@H+]2CCC[C@@H](N3CCCC3)CC2)CC1 ZINC000245808340 393047137 /nfs/dbraw/zinc/04/71/37/393047137.db2.gz YZDLRESFPMTBSL-IAGOWNOFSA-N 1 3 262.441 3.293 20 0 CGADHO CC(C)c1ccc(CC[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000414905510 393057839 /nfs/dbraw/zinc/05/78/39/393057839.db2.gz LJPSJNHODKZEGA-SFHVURJKSA-N 1 3 274.452 3.332 20 0 CGADHO CC(C)c1ccc(CCNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414905510 393057845 /nfs/dbraw/zinc/05/78/45/393057845.db2.gz LJPSJNHODKZEGA-SFHVURJKSA-N 1 3 274.452 3.332 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)CCN1 ZINC000414948891 393057892 /nfs/dbraw/zinc/05/78/92/393057892.db2.gz MSTSUQJXZWVKLG-VXGBXAGGSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@H](NCCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414948891 393057894 /nfs/dbraw/zinc/05/78/94/393057894.db2.gz MSTSUQJXZWVKLG-VXGBXAGGSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@@H+]1C ZINC000246986591 393069059 /nfs/dbraw/zinc/06/90/59/393069059.db2.gz KKBAOVDVSGDLKW-XFJVYGCCSA-N 1 3 278.827 3.400 20 0 CGADHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(Cl)ccc32)CC[N@H+]1C ZINC000246986591 393069068 /nfs/dbraw/zinc/06/90/68/393069068.db2.gz KKBAOVDVSGDLKW-XFJVYGCCSA-N 1 3 278.827 3.400 20 0 CGADHO Fc1ccc(CNCCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414975117 393075777 /nfs/dbraw/zinc/07/57/77/393075777.db2.gz OHXIZNOMNUVPHI-CYBMUJFWSA-N 1 3 270.779 3.101 20 0 CGADHO CC[C@@H](N)C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000414977705 393077701 /nfs/dbraw/zinc/07/77/01/393077701.db2.gz KPRKVFTXGCCFLG-OAHLLOKOSA-N 1 3 285.391 3.009 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccc(Cl)s1 ZINC000414987550 393080234 /nfs/dbraw/zinc/08/02/34/393080234.db2.gz KKASOQXBWWXISE-UWVGGRQHSA-N 1 3 260.834 3.050 20 0 CGADHO Cc1ccoc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000266243621 393179175 /nfs/dbraw/zinc/17/91/75/393179175.db2.gz XWVCSYAVMGPFLY-HNNXBMFYSA-N 1 3 264.413 3.332 20 0 CGADHO Cc1ccoc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000266243621 393179181 /nfs/dbraw/zinc/17/91/81/393179181.db2.gz XWVCSYAVMGPFLY-HNNXBMFYSA-N 1 3 264.413 3.332 20 0 CGADHO [NH3+]C[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)cs2)C1 ZINC000415047278 393110850 /nfs/dbraw/zinc/11/08/50/393110850.db2.gz VOHKBSFDFWHWMR-OCCSQVGLSA-N 1 3 287.432 3.027 20 0 CGADHO c1oc2ccccc2c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057504 393119920 /nfs/dbraw/zinc/11/99/20/393119920.db2.gz UPPWAJRJPIPEAY-YOEHRIQHSA-N 1 3 284.403 3.397 20 0 CGADHO CCC1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252674041 393125931 /nfs/dbraw/zinc/12/59/31/393125931.db2.gz OAKPDLWGHCTBLU-FJBKBRRZSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)C[C@@H]([NH3+])CNCC(C)(C)Cc1ccccc1 ZINC000415078160 393131551 /nfs/dbraw/zinc/13/15/51/393131551.db2.gz FRCZIGWEWICAMT-MRXNPFEDSA-N 1 3 262.441 3.218 20 0 CGADHO Clc1cc(Cl)cc(CCNC[C@@H]2CCC[NH2+]C2)c1 ZINC000415082491 393135707 /nfs/dbraw/zinc/13/57/07/393135707.db2.gz LWCGGQPLEMJXCF-GFCCVEGCSA-N 1 3 287.234 3.125 20 0 CGADHO Clc1cc(Cl)cc(CC[NH2+]C[C@@H]2CCCNC2)c1 ZINC000415082491 393135713 /nfs/dbraw/zinc/13/57/13/393135713.db2.gz LWCGGQPLEMJXCF-GFCCVEGCSA-N 1 3 287.234 3.125 20 0 CGADHO CCCc1cccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415127368 393154085 /nfs/dbraw/zinc/15/40/85/393154085.db2.gz MUUKQKLDFFRNAR-PBHICJAKSA-N 1 3 260.425 3.056 20 0 CGADHO C[C@H]1CCC[C@H](C[N@@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126014 393374103 /nfs/dbraw/zinc/37/41/03/393374103.db2.gz YXUUYAYHKKBSOP-HOTGVXAUSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@H]1CCC[C@H](C[N@H+]2CCCC23CCN(C)CC3)C1 ZINC000475126014 393374109 /nfs/dbraw/zinc/37/41/09/393374109.db2.gz YXUUYAYHKKBSOP-HOTGVXAUSA-N 1 3 264.457 3.373 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000475159437 393379579 /nfs/dbraw/zinc/37/95/79/393379579.db2.gz YDUWFZHPLTVWRK-HRCADAONSA-N 1 3 252.446 3.275 20 0 CGADHO COc1ccc([C@@H](CN)C[N@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000420299954 393455455 /nfs/dbraw/zinc/45/54/55/393455455.db2.gz GWIONOPKWUCBEL-YJBOKZPZSA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@@H](CN)C[N@@H+](C)[C@@H](C)c2ccccc2)cc1 ZINC000420299954 393455459 /nfs/dbraw/zinc/45/54/59/393455459.db2.gz GWIONOPKWUCBEL-YJBOKZPZSA-N 1 3 298.430 3.431 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@@H](C)c2ccccc2)cc1 ZINC000420299954 393455467 /nfs/dbraw/zinc/45/54/67/393455467.db2.gz GWIONOPKWUCBEL-YJBOKZPZSA-N 1 3 298.430 3.431 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCCF ZINC000420319635 393465158 /nfs/dbraw/zinc/46/51/58/393465158.db2.gz XZDDQOAVZFPJOJ-IRXDYDNUSA-N 1 3 278.415 3.018 20 0 CGADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCCF ZINC000420319635 393465161 /nfs/dbraw/zinc/46/51/61/393465161.db2.gz XZDDQOAVZFPJOJ-IRXDYDNUSA-N 1 3 278.415 3.018 20 0 CGADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCCF ZINC000420319635 393465165 /nfs/dbraw/zinc/46/51/65/393465165.db2.gz XZDDQOAVZFPJOJ-IRXDYDNUSA-N 1 3 278.415 3.018 20 0 CGADHO Fc1ccc(CN(CC[C@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC000420320031 393465329 /nfs/dbraw/zinc/46/53/29/393465329.db2.gz QCQDNIODOQRBAV-CYBMUJFWSA-N 1 3 294.389 3.319 20 0 CGADHO CSc1ccccc1CN1CCCC[C@@H]1CC[NH3+] ZINC000420324085 393467982 /nfs/dbraw/zinc/46/79/82/393467982.db2.gz YXTGJNBYKZUSRW-CQSZACIVSA-N 1 3 264.438 3.112 20 0 CGADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000420378475 393478313 /nfs/dbraw/zinc/47/83/13/393478313.db2.gz ULTGIFKWBBVPDN-QWHCGFSZSA-N 1 3 266.816 3.380 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1F ZINC000420405382 393484387 /nfs/dbraw/zinc/48/43/87/393484387.db2.gz MSNOJTPINKIINL-RYUDHWBXSA-N 1 3 268.351 3.005 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488327360 393488069 /nfs/dbraw/zinc/48/80/69/393488069.db2.gz HDXMOXWRHDDJSB-UHFFFAOYSA-N 1 3 289.398 3.081 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419658 393506012 /nfs/dbraw/zinc/50/60/12/393506012.db2.gz HIEIOKRISUPWRV-KFWWJZLASA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419658 393506014 /nfs/dbraw/zinc/50/60/14/393506014.db2.gz HIEIOKRISUPWRV-KFWWJZLASA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488419658 393506018 /nfs/dbraw/zinc/50/60/18/393506018.db2.gz HIEIOKRISUPWRV-KFWWJZLASA-N 1 3 284.513 3.228 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954819 393556607 /nfs/dbraw/zinc/55/66/07/393556607.db2.gz VKPQHMMARSZHJG-STQMWFEESA-N 1 3 278.362 3.135 20 0 CGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954819 393556612 /nfs/dbraw/zinc/55/66/12/393556612.db2.gz VKPQHMMARSZHJG-STQMWFEESA-N 1 3 278.362 3.135 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430568609 393576873 /nfs/dbraw/zinc/57/68/73/393576873.db2.gz HRGZGBHHYYEOFK-KXBFYZLASA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568609 393576879 /nfs/dbraw/zinc/57/68/79/393576879.db2.gz HRGZGBHHYYEOFK-KXBFYZLASA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000430568609 393576885 /nfs/dbraw/zinc/57/68/85/393576885.db2.gz HRGZGBHHYYEOFK-KXBFYZLASA-N 1 3 282.431 3.442 20 0 CGADHO C[C@H](CCN1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000489976476 393623580 /nfs/dbraw/zinc/62/35/80/393623580.db2.gz GOSMDRSMXUYRES-AEFFLSMTSA-N 1 3 272.436 3.256 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCNCC[C@@H]2C)c1 ZINC000422791093 393642553 /nfs/dbraw/zinc/64/25/53/393642553.db2.gz YDUUQDRALSPVCG-DOTOQJQBSA-N 1 3 274.452 3.250 20 0 CGADHO CCS[C@@H]1CCC[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422820986 393643811 /nfs/dbraw/zinc/64/38/11/393643811.db2.gz TXVVZBGYBJQGJQ-KBUPBQIOSA-N 1 3 270.486 3.171 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000422844891 393644489 /nfs/dbraw/zinc/64/44/89/393644489.db2.gz NBDPHUDHEJYGSZ-GDBMZVCRSA-N 1 3 252.446 3.325 20 0 CGADHO CC(C)(C)[C@H]([NH2+]C1CCNCC1)c1cccc(F)c1 ZINC000422837801 393644502 /nfs/dbraw/zinc/64/45/02/393644502.db2.gz MVPATLFNNFDLRO-OAHLLOKOSA-N 1 3 264.388 3.255 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422893635 393646470 /nfs/dbraw/zinc/64/64/70/393646470.db2.gz QUPRKPWJTJSJKC-LMPOIIKSSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2c1cccc2Br ZINC000422960747 393647836 /nfs/dbraw/zinc/64/78/36/393647836.db2.gz XPTBYTWHZAOAKD-PKFCDNJMSA-N 1 3 297.240 3.152 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423015217 393647880 /nfs/dbraw/zinc/64/78/80/393647880.db2.gz KHXCYNQAEIOZAI-MNEFBYGVSA-N 1 3 286.463 3.258 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](c2ccccc2)C1 ZINC000433079241 393683407 /nfs/dbraw/zinc/68/34/07/393683407.db2.gz YUPOBIWXRWWJQM-ROUUACIJSA-N 1 3 272.436 3.350 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](c2ccccc2)C1 ZINC000433079241 393683412 /nfs/dbraw/zinc/68/34/12/393683412.db2.gz YUPOBIWXRWWJQM-ROUUACIJSA-N 1 3 272.436 3.350 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccccc32)CCN1 ZINC000423401148 393665128 /nfs/dbraw/zinc/66/51/28/393665128.db2.gz WWWBMXCTPKLHCP-WWGRRREGSA-N 1 3 258.409 3.139 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc2c(s1)CCCC2 ZINC000423399068 393665464 /nfs/dbraw/zinc/66/54/64/393665464.db2.gz PIMUVBUGNGUZRE-OBJOEFQTSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccccc32)CCN1 ZINC000423401137 393665681 /nfs/dbraw/zinc/66/56/81/393665681.db2.gz WWWBMXCTPKLHCP-DVOMOZLQSA-N 1 3 258.409 3.139 20 0 CGADHO Clc1ccc(CN[C@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666950694 542828085 /nfs/dbraw/zinc/82/80/85/542828085.db2.gz BIPUZXHHNHJOLP-ZDUSSCGKSA-N 1 3 285.218 3.225 20 0 CGADHO Clc1ccc(Cl)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952051 542828141 /nfs/dbraw/zinc/82/81/41/542828141.db2.gz DIZKALGPKFQILL-ZDUSSCGKSA-N 1 3 285.218 3.225 20 0 CGADHO Clc1cc(Cl)cc(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952054 542828228 /nfs/dbraw/zinc/82/82/28/542828228.db2.gz DLANXWTULLCLQQ-CYBMUJFWSA-N 1 3 285.218 3.225 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000433294868 393708109 /nfs/dbraw/zinc/70/81/09/393708109.db2.gz NPGOESOIFPDMDD-AWEZNQCLSA-N 1 3 252.446 3.133 20 0 CGADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN(C)C1CCCCC1 ZINC000502697696 393883304 /nfs/dbraw/zinc/88/33/04/393883304.db2.gz PYLPCOBOEZEQSB-WMZOPIPTSA-N 1 3 296.499 3.436 20 0 CGADHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995296 542832903 /nfs/dbraw/zinc/83/29/03/542832903.db2.gz JUTOIBCLXZRXFK-HIFRSBDPSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]1CC([NH2+][C@@H]2CCNC3(CCC3)C2)C[C@H](C)C1 ZINC000666995551 542833618 /nfs/dbraw/zinc/83/36/18/542833618.db2.gz QYKUECOQJCDVDJ-MGPQQGTHSA-N 1 3 250.430 3.075 20 0 CGADHO CCC1CCC([NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666995625 542833954 /nfs/dbraw/zinc/83/39/54/542833954.db2.gz UNXPVCFMBCCHLI-YMAMQOFZSA-N 1 3 250.430 3.220 20 0 CGADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995788 542834140 /nfs/dbraw/zinc/83/41/40/542834140.db2.gz ZYJVNPHSKQZYGG-ARFHVFGLSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228745 394213032 /nfs/dbraw/zinc/21/30/32/394213032.db2.gz BYMUYTSMDIHTQV-SSKCKEOISA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000453228745 394213035 /nfs/dbraw/zinc/21/30/35/394213035.db2.gz BYMUYTSMDIHTQV-SSKCKEOISA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000453239163 394215666 /nfs/dbraw/zinc/21/56/66/394215666.db2.gz SEQNTURVADNJQR-JLZZUVOBSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000453239163 394215668 /nfs/dbraw/zinc/21/56/68/394215668.db2.gz SEQNTURVADNJQR-JLZZUVOBSA-N 1 3 276.399 3.133 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CCNCC1 ZINC000423185179 292088617 /nfs/dbraw/zinc/08/86/17/292088617.db2.gz MSULPCDUVVAOEA-MRXNPFEDSA-N 1 3 258.409 3.022 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000070978448 397639527 /nfs/dbraw/zinc/63/95/27/397639527.db2.gz XMHSDPVOOXRGDC-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO C[NH2+]Cc1ccccc1CNC/C=C\c1ccccc1OC ZINC000650718311 397901581 /nfs/dbraw/zinc/90/15/81/397901581.db2.gz GRPHGKGXYVVLAY-XFFZJAGNSA-N 1 3 296.414 3.218 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000650757149 397910269 /nfs/dbraw/zinc/91/02/69/397910269.db2.gz PULGDQIIRYHEEL-DNVCBOLYSA-N 1 3 298.430 3.272 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000650757148 397910454 /nfs/dbraw/zinc/91/04/54/397910454.db2.gz PULGDQIIRYHEEL-BEFAXECRSA-N 1 3 298.430 3.272 20 0 CGADHO c1cc(N2CCN(CCC3CCCCC3)CC2)cc[nH+]1 ZINC000675499161 543345050 /nfs/dbraw/zinc/34/50/50/543345050.db2.gz AKGPDFMRYMJJED-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO C[C@H](CC1CCC1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000675783684 543364436 /nfs/dbraw/zinc/36/44/36/543364436.db2.gz PTADDZNTHUOHTG-BZUAXINKSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@]1(F)CCN(CCCCC[N@@H+]2CC[C@@](C)(F)C2)C1 ZINC000347345318 289186541 /nfs/dbraw/zinc/18/65/41/289186541.db2.gz HXYSQYWNQUDUCX-HUUCEWRRSA-N 1 3 274.399 3.025 20 0 CGADHO C[C@@]1(F)CCN(CCCCC[N@H+]2CC[C@@](C)(F)C2)C1 ZINC000347345318 289186545 /nfs/dbraw/zinc/18/65/45/289186545.db2.gz HXYSQYWNQUDUCX-HUUCEWRRSA-N 1 3 274.399 3.025 20 0 CGADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239975 543440439 /nfs/dbraw/zinc/44/04/39/543440439.db2.gz BUBZXCNRURAKLR-IRXDYDNUSA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000677239975 543440440 /nfs/dbraw/zinc/44/04/40/543440440.db2.gz BUBZXCNRURAKLR-IRXDYDNUSA-N 1 3 290.426 3.320 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000677241170 543441523 /nfs/dbraw/zinc/44/15/23/543441523.db2.gz MNHZRKXYUGPOJZ-VVLHAWIVSA-N 1 3 294.483 3.187 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000677241170 543441524 /nfs/dbraw/zinc/44/15/24/543441524.db2.gz MNHZRKXYUGPOJZ-VVLHAWIVSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000677239983 543441679 /nfs/dbraw/zinc/44/16/79/543441679.db2.gz CFRGHJGBNJHAQY-XOKHGSTOSA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000677239983 543441682 /nfs/dbraw/zinc/44/16/82/543441682.db2.gz CFRGHJGBNJHAQY-XOKHGSTOSA-N 1 3 276.399 3.146 20 0 CGADHO CCCC[N@H+](Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000678138484 543488042 /nfs/dbraw/zinc/48/80/42/543488042.db2.gz WHCMFHDTGAVBRZ-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CCCC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000678138484 543488043 /nfs/dbraw/zinc/48/80/43/543488043.db2.gz WHCMFHDTGAVBRZ-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000279830897 286024947 /nfs/dbraw/zinc/02/49/47/286024947.db2.gz YZEHXRVDYVKPBP-HPBDAGMYSA-N 1 3 290.451 3.225 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000279830885 286025403 /nfs/dbraw/zinc/02/54/03/286025403.db2.gz YZEHXRVDYVKPBP-DKIMLUQUSA-N 1 3 290.451 3.225 20 0 CGADHO Clc1ccc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000678582553 543538072 /nfs/dbraw/zinc/53/80/72/543538072.db2.gz KRUICSIBRYOJBE-IRXDYDNUSA-N 1 3 292.854 3.489 20 0 CGADHO Clc1ccc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000678582553 543538074 /nfs/dbraw/zinc/53/80/74/543538074.db2.gz KRUICSIBRYOJBE-IRXDYDNUSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC2(C)C)CC1 ZINC000679008627 543581617 /nfs/dbraw/zinc/58/16/17/543581617.db2.gz MHUKIKNJXPWGSZ-VNQPRFMTSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC2(C)C)CC1 ZINC000679008627 543581620 /nfs/dbraw/zinc/58/16/20/543581620.db2.gz MHUKIKNJXPWGSZ-VNQPRFMTSA-N 1 3 264.457 3.418 20 0 CGADHO c1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446094 287033782 /nfs/dbraw/zinc/03/37/82/287033782.db2.gz VSWUZBFAOLGANN-LJQANCHMSA-N 1 3 280.415 3.298 20 0 CGADHO c1ccc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446094 287033784 /nfs/dbraw/zinc/03/37/84/287033784.db2.gz VSWUZBFAOLGANN-LJQANCHMSA-N 1 3 280.415 3.298 20 0 CGADHO COCc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000088567951 165194795 /nfs/dbraw/zinc/19/47/95/165194795.db2.gz FUPQHKKAHAVSNU-UHFFFAOYSA-N 1 3 290.451 3.186 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2)C1 ZINC000093215973 165324555 /nfs/dbraw/zinc/32/45/55/165324555.db2.gz MCBAEONAQKFKOT-STQMWFEESA-N 1 3 272.314 3.065 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093873169 165338283 /nfs/dbraw/zinc/33/82/83/165338283.db2.gz NPTKLWMKTHNJMB-NSHDSACASA-N 1 3 286.366 3.266 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(C)CN ZINC000093873169 165338285 /nfs/dbraw/zinc/33/82/85/165338285.db2.gz NPTKLWMKTHNJMB-NSHDSACASA-N 1 3 286.366 3.266 20 0 CGADHO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(C)CN ZINC000093873169 165338288 /nfs/dbraw/zinc/33/82/88/165338288.db2.gz NPTKLWMKTHNJMB-NSHDSACASA-N 1 3 286.366 3.266 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422404 165348723 /nfs/dbraw/zinc/34/87/23/165348723.db2.gz KAHDOHGXOFXVEV-LSDHHAIUSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CC(C)(C)OC1(C)C ZINC000094422404 165348726 /nfs/dbraw/zinc/34/87/26/165348726.db2.gz KAHDOHGXOFXVEV-LSDHHAIUSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CC(C)(C)OC1(C)C ZINC000094422404 165348731 /nfs/dbraw/zinc/34/87/31/165348731.db2.gz KAHDOHGXOFXVEV-LSDHHAIUSA-N 1 3 282.472 3.187 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522095 165351940 /nfs/dbraw/zinc/35/19/40/165351940.db2.gz OWUUQOGHPLSPLT-SUMWQHHRSA-N 1 3 258.409 3.266 20 0 CGADHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522095 165351942 /nfs/dbraw/zinc/35/19/42/165351942.db2.gz OWUUQOGHPLSPLT-SUMWQHHRSA-N 1 3 258.409 3.266 20 0 CGADHO [NH3+]CC[C@H]1CCCCN1Cc1cccc(C2CC2)c1 ZINC000094522145 165353882 /nfs/dbraw/zinc/35/38/82/165353882.db2.gz CDYIQCGECJNYSO-QGZVFWFLSA-N 1 3 258.409 3.267 20 0 CGADHO C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169634 287142443 /nfs/dbraw/zinc/14/24/43/287142443.db2.gz RQPDGZXEVMJUKI-QWHCGFSZSA-N 1 3 266.816 3.462 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000122567601 287210846 /nfs/dbraw/zinc/21/08/46/287210846.db2.gz UCKDRGMUYFAPAE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000122567601 287210847 /nfs/dbraw/zinc/21/08/47/287210847.db2.gz UCKDRGMUYFAPAE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(CCCC2CCCC2)C1 ZINC000122567601 287210849 /nfs/dbraw/zinc/21/08/49/287210849.db2.gz UCKDRGMUYFAPAE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(CCCC2CCCC2)C1 ZINC000122567601 287210850 /nfs/dbraw/zinc/21/08/50/287210850.db2.gz UCKDRGMUYFAPAE-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCc2ccccc2Cl)CC[N@@H+]1C ZINC000123262108 287217564 /nfs/dbraw/zinc/21/75/64/287217564.db2.gz XAYXNDLWNASXHH-HIFRSBDPSA-N 1 3 280.843 3.297 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCc2ccccc2Cl)CC[N@H+]1C ZINC000123262108 287217567 /nfs/dbraw/zinc/21/75/67/287217567.db2.gz XAYXNDLWNASXHH-HIFRSBDPSA-N 1 3 280.843 3.297 20 0 CGADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000020121877 171001551 /nfs/dbraw/zinc/00/15/51/171001551.db2.gz POKAESZVAVORQA-LBPRGKRZSA-N 1 3 266.816 3.475 20 0 CGADHO CCCN1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000020190063 171057060 /nfs/dbraw/zinc/05/70/60/171057060.db2.gz RHKRUGQPRLFSBU-UHFFFAOYSA-N 1 3 272.392 3.397 20 0 CGADHO Cc1cc(C)c(C[NH2+]CCCN2CCCC2)c(C)c1 ZINC000021516832 171313471 /nfs/dbraw/zinc/31/34/71/171313471.db2.gz XNMMHVGTAIKAKX-UHFFFAOYSA-N 1 3 260.425 3.187 20 0 CGADHO CN(C)CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037213699 173033980 /nfs/dbraw/zinc/03/39/80/173033980.db2.gz CXPIBABJRQDABB-ZDUSSCGKSA-N 1 3 284.856 3.418 20 0 CGADHO C[C@@H]1CCCN(Cc2cnc3ccccc3c2)[C@H]1CC[NH3+] ZINC000404405212 416553455 /nfs/dbraw/zinc/55/34/55/416553455.db2.gz UIUWVKIRALLXAF-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO CC[C@H]1CN(Cc2ccccc2C2CC2)CC[C@@H]1[NH3+] ZINC000122401707 416503426 /nfs/dbraw/zinc/50/34/26/416503426.db2.gz DBRZLOWNGJDLAF-GUYCJALGSA-N 1 3 258.409 3.123 20 0 CGADHO Cc1cccc(CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679216854 543600282 /nfs/dbraw/zinc/60/02/82/543600282.db2.gz BFYKXYIQFAAOBN-UHFFFAOYSA-N 1 3 295.430 3.145 20 0 CGADHO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC[C@@H]1CCCN1C ZINC000679540695 543643812 /nfs/dbraw/zinc/64/38/12/543643812.db2.gz ODIZBATZHMPVJU-UPJWGTAASA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC[C@@H]1CCCN1C ZINC000679540695 543643815 /nfs/dbraw/zinc/64/38/15/543643815.db2.gz ODIZBATZHMPVJU-UPJWGTAASA-N 1 3 278.362 3.134 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000130338778 287352504 /nfs/dbraw/zinc/35/25/04/287352504.db2.gz LMXTVDBJPMOCJS-CGTJXYLNSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1ccccc1C[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000130338778 287352505 /nfs/dbraw/zinc/35/25/05/287352505.db2.gz LMXTVDBJPMOCJS-CGTJXYLNSA-N 1 3 272.436 3.142 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000130565628 287358281 /nfs/dbraw/zinc/35/82/81/287358281.db2.gz MYZMTCYFGJCUMC-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cc(C)cc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000130565628 287358283 /nfs/dbraw/zinc/35/82/83/287358283.db2.gz MYZMTCYFGJCUMC-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO c1ccc(CCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000681405529 543786565 /nfs/dbraw/zinc/78/65/65/543786565.db2.gz PGUHGZGHUVYJEH-UHFFFAOYSA-N 1 3 295.430 3.227 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078244 543823884 /nfs/dbraw/zinc/82/38/84/543823884.db2.gz WELSQXJKFDZYBL-NXHRZFHOSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CC[C@H]21 ZINC000682078244 543823887 /nfs/dbraw/zinc/82/38/87/543823887.db2.gz WELSQXJKFDZYBL-NXHRZFHOSA-N 1 3 270.420 3.090 20 0 CGADHO CN1CCCC12CC[NH+]([C@H]1CCc3ccccc31)CC2 ZINC000683786001 543941986 /nfs/dbraw/zinc/94/19/86/543941986.db2.gz USKNTUPMBQGVHQ-KRWDZBQOSA-N 1 3 270.420 3.234 20 0 CGADHO CC[NH+]1CCC(CNCc2ncc(C(C)(C)C)s2)CC1 ZINC000684111567 543967738 /nfs/dbraw/zinc/96/77/38/543967738.db2.gz NMAVKJKWQICVLU-UHFFFAOYSA-N 1 3 295.496 3.262 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000650741817 418935884 /nfs/dbraw/zinc/93/58/84/418935884.db2.gz MBBWFKIFJPZCSX-HEHGZKQESA-N 1 3 275.440 3.324 20 0 CGADHO Cc1cc([C@H]([NH2+]CC2(N)CCCC2)C2CC2)ccc1F ZINC000665247989 419090420 /nfs/dbraw/zinc/09/04/20/419090420.db2.gz NDLPIKOWVOZFKZ-MRXNPFEDSA-N 1 3 276.399 3.446 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000665246356 419090454 /nfs/dbraw/zinc/09/04/54/419090454.db2.gz CNVNVCXWMKDJSX-HOTGVXAUSA-N 1 3 287.451 3.277 20 0 CGADHO CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253272 419093930 /nfs/dbraw/zinc/09/39/30/419093930.db2.gz MFBJEWSIEZJQDK-APHBMKBZSA-N 1 3 264.388 3.049 20 0 CGADHO CCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252310 419093971 /nfs/dbraw/zinc/09/39/71/419093971.db2.gz MLSMCNKSMHTPPN-AXAPSJFSSA-N 1 3 282.378 3.189 20 0 CGADHO C[C@H]1CC[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000665252570 419094368 /nfs/dbraw/zinc/09/43/68/419094368.db2.gz SVOMOGHQEFQIID-ZCTGUTNYSA-N 1 3 294.389 3.189 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C)cc1 ZINC000665280488 419101089 /nfs/dbraw/zinc/10/10/89/419101089.db2.gz DAPIFCKTXOCBKH-JKIFEVAISA-N 1 3 278.440 3.150 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280488 419101092 /nfs/dbraw/zinc/10/10/92/419101092.db2.gz DAPIFCKTXOCBKH-JKIFEVAISA-N 1 3 278.440 3.150 20 0 CGADHO CCCOc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279324 419102143 /nfs/dbraw/zinc/10/21/43/419102143.db2.gz AITHQGRRBACRLU-RHSMWYFYSA-N 1 3 278.440 3.499 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000665282841 419103209 /nfs/dbraw/zinc/10/32/09/419103209.db2.gz CPAPWMJKHOHRRZ-WBAXXEDZSA-N 1 3 272.436 3.350 20 0 CGADHO COc1ccc2c(c1)[C@H](NCC[C@@H]([NH3+])C(C)C)CCC2 ZINC000665281274 419103391 /nfs/dbraw/zinc/10/33/91/419103391.db2.gz YYSYPOSKWCEQGT-IAGOWNOFSA-N 1 3 276.424 3.036 20 0 CGADHO CC(C)(C)O[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000655839865 419114104 /nfs/dbraw/zinc/11/41/04/419114104.db2.gz XJDWLLBGSVJNGQ-SHTZXODSSA-N 1 3 282.472 3.185 20 0 CGADHO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCC1 ZINC000660256044 419114195 /nfs/dbraw/zinc/11/41/95/419114195.db2.gz IMKIAWGQVVNQPF-QGPMSJSTSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CCC1 ZINC000660256044 419114200 /nfs/dbraw/zinc/11/42/00/419114200.db2.gz IMKIAWGQVVNQPF-QGPMSJSTSA-N 1 3 294.483 3.044 20 0 CGADHO CO[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CCC1 ZINC000660256044 419114202 /nfs/dbraw/zinc/11/42/02/419114202.db2.gz IMKIAWGQVVNQPF-QGPMSJSTSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000655685644 419064313 /nfs/dbraw/zinc/06/43/13/419064313.db2.gz JUSDIMMPKOKLCT-XJKSGUPXSA-N 1 3 278.465 3.122 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000655710489 419073076 /nfs/dbraw/zinc/07/30/76/419073076.db2.gz BYRSLXATQUPOKF-NVXWUHKLSA-N 1 3 272.436 3.222 20 0 CGADHO Cc1cc2c(c(C)c1)[C@H](NC[C@H]1CCC[N@H+](C)C1)CC2 ZINC000655710489 419073079 /nfs/dbraw/zinc/07/30/79/419073079.db2.gz BYRSLXATQUPOKF-NVXWUHKLSA-N 1 3 272.436 3.222 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000656197306 419148031 /nfs/dbraw/zinc/14/80/31/419148031.db2.gz YXNWKAAULAGMJX-RNJOBUHISA-N 1 3 278.362 3.215 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660121 419176454 /nfs/dbraw/zinc/17/64/54/419176454.db2.gz ULJHUYGROIRDNU-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO Cc1ccccc1CCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660121 419176457 /nfs/dbraw/zinc/17/64/57/419176457.db2.gz ULJHUYGROIRDNU-IBGZPJMESA-N 1 3 286.463 3.345 20 0 CGADHO CC[C@@H]1C[C@H](NCC[C@H](C)[N@H+](C)Cc2ccccc2)CO1 ZINC000657384542 419265978 /nfs/dbraw/zinc/26/59/78/419265978.db2.gz UFWSQSXUCIGABL-RYQLBKOJSA-N 1 3 290.451 3.054 20 0 CGADHO CC[C@@H]1C[C@H](NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CO1 ZINC000657384542 419265980 /nfs/dbraw/zinc/26/59/80/419265980.db2.gz UFWSQSXUCIGABL-RYQLBKOJSA-N 1 3 290.451 3.054 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC1(F)F ZINC000666227923 419199852 /nfs/dbraw/zinc/19/98/52/419199852.db2.gz LFPPCZDCUFIRPN-SWLSCSKDSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@H]1CC1(F)F ZINC000666227923 419199854 /nfs/dbraw/zinc/19/98/54/419199854.db2.gz LFPPCZDCUFIRPN-SWLSCSKDSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@@H]1[C@@H](NCC2([NH3+])CCCC2)C[C@@H]1c1ccccc1 ZINC000656789529 419220486 /nfs/dbraw/zinc/22/04/86/419220486.db2.gz PQYBWNJIXYNJFH-BPUTZDHNSA-N 1 3 258.409 3.040 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCC1 ZINC000178158570 287537702 /nfs/dbraw/zinc/53/77/02/287537702.db2.gz DTGUJMIYQGTJAT-CQSZACIVSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657873570 419397944 /nfs/dbraw/zinc/39/79/44/419397944.db2.gz YARYLRJKPWKMPS-ZDUSSCGKSA-N 1 3 287.407 3.210 20 0 CGADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)C(C)(C)C(F)F ZINC000657825050 419374399 /nfs/dbraw/zinc/37/43/99/419374399.db2.gz VKOALZAZNFKPOP-ZDUSSCGKSA-N 1 3 276.415 3.378 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1CCSc1cccc(Cl)c1 ZINC000662266367 419374843 /nfs/dbraw/zinc/37/48/43/419374843.db2.gz WUGFHYFHYCYQJY-NWDGAFQWSA-N 1 3 284.856 3.101 20 0 CGADHO Cc1ccccc1[C@@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000662279633 419381390 /nfs/dbraw/zinc/38/13/90/419381390.db2.gz ANFYNWYTJJCWEM-OAHLLOKOSA-N 1 3 280.415 3.492 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657840824 419383629 /nfs/dbraw/zinc/38/36/29/419383629.db2.gz KUPSSDLYYIIZHH-NEPJUHHUSA-N 1 3 283.366 3.012 20 0 CGADHO CC(C)CCC[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663344642 419566805 /nfs/dbraw/zinc/56/68/05/419566805.db2.gz DGHKHDPMPWCHDX-INIZCTEOSA-N 1 3 252.446 3.134 20 0 CGADHO Cc1cccc2c1CCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000663503298 419640022 /nfs/dbraw/zinc/64/00/22/419640022.db2.gz NSKAMJIJEDGJBR-RHSMWYFYSA-N 1 3 258.409 3.104 20 0 CGADHO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663466865 419620637 /nfs/dbraw/zinc/62/06/37/419620637.db2.gz ASRQJQCQKNIOLJ-PBHICJAKSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466865 419620645 /nfs/dbraw/zinc/62/06/45/419620645.db2.gz ASRQJQCQKNIOLJ-PBHICJAKSA-N 1 3 292.492 3.391 20 0 CGADHO C[C@H](Cc1ccsc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466865 419620656 /nfs/dbraw/zinc/62/06/56/419620656.db2.gz ASRQJQCQKNIOLJ-PBHICJAKSA-N 1 3 292.492 3.391 20 0 CGADHO c1ccc2c(c1)CC(N[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC000658227298 419684329 /nfs/dbraw/zinc/68/43/29/419684329.db2.gz UJXRIOOZNNFBAD-QGZVFWFLSA-N 1 3 284.447 3.150 20 0 CGADHO c1ccc2c(c1)CC(N[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000658227298 419684335 /nfs/dbraw/zinc/68/43/35/419684335.db2.gz UJXRIOOZNNFBAD-QGZVFWFLSA-N 1 3 284.447 3.150 20 0 CGADHO C[C@H](NCCc1ccoc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658202414 419655139 /nfs/dbraw/zinc/65/51/39/419655139.db2.gz TYYJPEHZOZYYLE-LPHOPBHVSA-N 1 3 298.430 3.322 20 0 CGADHO C[C@H](NCCc1ccoc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658202414 419655147 /nfs/dbraw/zinc/65/51/47/419655147.db2.gz TYYJPEHZOZYYLE-LPHOPBHVSA-N 1 3 298.430 3.322 20 0 CGADHO CSCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000423115223 274179013 /nfs/dbraw/zinc/17/90/13/274179013.db2.gz XODUPRJSRXXXOV-CVEARBPZSA-N 1 3 278.465 3.299 20 0 CGADHO CC(C)c1ccc(C[NH2+]CCCN2CCCC2)cc1 ZINC000019982315 262211670 /nfs/dbraw/zinc/21/16/70/262211670.db2.gz XYUKOFUJCYAWNO-UHFFFAOYSA-N 1 3 260.425 3.386 20 0 CGADHO COCCC1(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCCCC1 ZINC000189272821 264286333 /nfs/dbraw/zinc/28/63/33/264286333.db2.gz WUXYIHBFIQHCTJ-DLBZAZTESA-N 1 3 296.499 3.436 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535595 270036238 /nfs/dbraw/zinc/03/62/38/270036238.db2.gz VENNCFXHOZABQN-GDBMZVCRSA-N 1 3 260.425 3.241 20 0 CGADHO CCc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535595 270036240 /nfs/dbraw/zinc/03/62/40/270036240.db2.gz VENNCFXHOZABQN-GDBMZVCRSA-N 1 3 260.425 3.241 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCSCC1 ZINC000186939060 270067607 /nfs/dbraw/zinc/06/76/07/270067607.db2.gz QOFRAIBSAVCZEN-LBPRGKRZSA-N 1 3 284.513 3.417 20 0 CGADHO C[NH+]1CCC(CCNCc2cc(F)cc(Cl)c2)CC1 ZINC000229937893 270088924 /nfs/dbraw/zinc/08/89/24/270088924.db2.gz HNOQMRHDCRDODV-UHFFFAOYSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000527360855 270127590 /nfs/dbraw/zinc/12/75/90/270127590.db2.gz GUXVUSOVKPGJRZ-XOKHGSTOSA-N 1 3 278.415 3.392 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568543 270185316 /nfs/dbraw/zinc/18/53/16/270185316.db2.gz BEBVYMZBJPIWRZ-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568543 270185317 /nfs/dbraw/zinc/18/53/17/270185317.db2.gz BEBVYMZBJPIWRZ-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568543 270185318 /nfs/dbraw/zinc/18/53/18/270185318.db2.gz BEBVYMZBJPIWRZ-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc3cc[nH]c3c2)C1 ZINC000529568543 270185319 /nfs/dbraw/zinc/18/53/19/270185319.db2.gz BEBVYMZBJPIWRZ-WMZOPIPTSA-N 1 3 283.419 3.084 20 0 CGADHO CC(C)(NCC[C@@H]1CC[NH2+]C1)c1nc2ccccc2s1 ZINC000530223049 270196496 /nfs/dbraw/zinc/19/64/96/270196496.db2.gz LXCIRWLVWBNLEG-LBPRGKRZSA-N 1 3 289.448 3.121 20 0 CGADHO C1CC2(C1)NCC[C@H]2[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000530219101 270196275 /nfs/dbraw/zinc/19/62/75/270196275.db2.gz ZCMJQCBILZTHCS-BDVYOWHSSA-N 1 3 292.467 3.131 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000531694023 270209007 /nfs/dbraw/zinc/20/90/07/270209007.db2.gz UARJWLCCZPMXNC-MAUKXSAKSA-N 1 3 290.451 3.041 20 0 CGADHO CC(C)OCc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000531694023 270209008 /nfs/dbraw/zinc/20/90/08/270209008.db2.gz UARJWLCCZPMXNC-MAUKXSAKSA-N 1 3 290.451 3.041 20 0 CGADHO CC[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCOCC1 ZINC000531948453 270211254 /nfs/dbraw/zinc/21/12/54/270211254.db2.gz KBNNRFGCVVGRSE-HNNXBMFYSA-N 1 3 282.472 3.090 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000156576241 274137761 /nfs/dbraw/zinc/13/77/61/274137761.db2.gz SORGABBTIRHDGD-JCKWVBRZSA-N 1 3 288.435 3.145 20 0 CGADHO COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000156576241 274137763 /nfs/dbraw/zinc/13/77/63/274137763.db2.gz SORGABBTIRHDGD-JCKWVBRZSA-N 1 3 288.435 3.145 20 0 CGADHO C[C@@H](CN)C[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000414874060 274213989 /nfs/dbraw/zinc/21/39/89/274213989.db2.gz HYGCHZYOQDIBOE-OOHWJJMZSA-N 1 3 260.425 3.071 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000423090099 274305841 /nfs/dbraw/zinc/30/58/41/274305841.db2.gz WVNQQFGYDCAVEP-DQYPLSBCSA-N 1 3 276.399 3.181 20 0 CGADHO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c2ccccc2n1 ZINC000277221632 274704881 /nfs/dbraw/zinc/70/48/81/274704881.db2.gz RWFULEVVJOQYOI-OAHLLOKOSA-N 1 3 283.419 3.464 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)CN(C)C)CC3 ZINC000425942927 274767430 /nfs/dbraw/zinc/76/74/30/274767430.db2.gz ORQJKHZPPWKJHE-HUUCEWRRSA-N 1 3 299.462 3.121 20 0 CGADHO Oc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCCC1)CCC2 ZINC000236596172 275061101 /nfs/dbraw/zinc/06/11/01/275061101.db2.gz KPEFKFJXHSQQOG-SFHVURJKSA-N 1 3 288.435 3.235 20 0 CGADHO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000353975441 276008727 /nfs/dbraw/zinc/00/87/27/276008727.db2.gz UWQKTUNOEWLWJO-JQHSSLGASA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000353975441 276008730 /nfs/dbraw/zinc/00/87/30/276008730.db2.gz UWQKTUNOEWLWJO-JQHSSLGASA-N 1 3 290.451 3.227 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCc1ccccn1 ZINC000411556163 276105443 /nfs/dbraw/zinc/10/54/43/276105443.db2.gz XNJOLMBDFQRNKF-FUHWJXTLSA-N 1 3 289.467 3.114 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000411556163 276105444 /nfs/dbraw/zinc/10/54/44/276105444.db2.gz XNJOLMBDFQRNKF-FUHWJXTLSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CC2CCC(F)(F)CC2)C1 ZINC000459350073 276109500 /nfs/dbraw/zinc/10/95/00/276109500.db2.gz IKTSAWUYINKZFR-OAHLLOKOSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350073 276109502 /nfs/dbraw/zinc/10/95/02/276109502.db2.gz IKTSAWUYINKZFR-OAHLLOKOSA-N 1 3 288.426 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459350073 276109503 /nfs/dbraw/zinc/10/95/03/276109503.db2.gz IKTSAWUYINKZFR-OAHLLOKOSA-N 1 3 288.426 3.476 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCN1CCCC1 ZINC000187103014 276180285 /nfs/dbraw/zinc/18/02/85/276180285.db2.gz DJZIKYNPRLWNNE-JKSUJKDBSA-N 1 3 250.430 3.054 20 0 CGADHO CC1CCC([N@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC000226436562 276190015 /nfs/dbraw/zinc/19/00/15/276190015.db2.gz BJFJSTPNLWYNNA-SLTAFYQDSA-N 1 3 250.430 3.029 20 0 CGADHO CC1CCC([N@@H+](C[C@H]2CCCNC2)C2CC2)CC1 ZINC000226436562 276190016 /nfs/dbraw/zinc/19/00/16/276190016.db2.gz BJFJSTPNLWYNNA-SLTAFYQDSA-N 1 3 250.430 3.029 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@H+](CC23CCC(CC2)C3)C1 ZINC000347740916 276247919 /nfs/dbraw/zinc/24/79/19/276247919.db2.gz VLYCHIYDHHIHEA-CGZBRXJRSA-N 1 3 264.457 3.230 20 0 CGADHO CCCN(C)C[C@@H]1CC[N@@H+](CC23CCC(CC2)C3)C1 ZINC000347740916 276247921 /nfs/dbraw/zinc/24/79/21/276247921.db2.gz VLYCHIYDHHIHEA-CGZBRXJRSA-N 1 3 264.457 3.230 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000365067577 276781668 /nfs/dbraw/zinc/78/16/68/276781668.db2.gz IHWQRBRQVJVYHX-CWQOZTLDSA-N 1 3 294.483 3.044 20 0 CGADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646092 277046092 /nfs/dbraw/zinc/04/60/92/277046092.db2.gz ORNDORIYWPZFGQ-CABCVRRESA-N 1 3 293.480 3.197 20 0 CGADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000351646092 277046094 /nfs/dbraw/zinc/04/60/94/277046094.db2.gz ORNDORIYWPZFGQ-CABCVRRESA-N 1 3 293.480 3.197 20 0 CGADHO CC(C)(CCN1CCCCCC1)[NH2+]C[C@H]1CCCOC1 ZINC000359138142 277296616 /nfs/dbraw/zinc/29/66/16/277296616.db2.gz IGQXLRHNSUIOAO-MRXNPFEDSA-N 1 3 282.472 3.047 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000487532934 277397050 /nfs/dbraw/zinc/39/70/50/277397050.db2.gz FWASDUJAWYITBT-XHSDSOJGSA-N 1 3 266.473 3.379 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1c2ccccc2C[C@H]1C ZINC000415084748 278216938 /nfs/dbraw/zinc/21/69/38/278216938.db2.gz HNMUVAMBHHZUHQ-LGWLGOQQSA-N 1 3 258.409 3.040 20 0 CGADHO CC(C)CSCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000397459637 288023763 /nfs/dbraw/zinc/02/37/63/288023763.db2.gz QDDUVINPGRKGJV-HRCADAONSA-N 1 3 284.513 3.276 20 0 CGADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000070306153 278254430 /nfs/dbraw/zinc/25/44/30/278254430.db2.gz JOUNFIXGTDJEFY-AWEZNQCLSA-N 1 3 273.424 3.219 20 0 CGADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000089149212 278282055 /nfs/dbraw/zinc/28/20/55/278282055.db2.gz LTXXSOFHCYCWGA-SUHUHFCYSA-N 1 3 286.341 3.483 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)N1CC[C@H](C[NH3+])C1 ZINC000050245087 278309541 /nfs/dbraw/zinc/30/95/41/278309541.db2.gz ZAGVLGYQAQXOBZ-ZIAGYGMSSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](CN)C1 ZINC000050245087 278309543 /nfs/dbraw/zinc/30/95/43/278309543.db2.gz ZAGVLGYQAQXOBZ-ZIAGYGMSSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](CN)C1 ZINC000050245087 278309544 /nfs/dbraw/zinc/30/95/44/278309544.db2.gz ZAGVLGYQAQXOBZ-ZIAGYGMSSA-N 1 3 254.377 3.181 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000089215003 278341831 /nfs/dbraw/zinc/34/18/31/278341831.db2.gz MEVQCUDVUPJSLU-OAHLLOKOSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cc2c(s1)CCCC2 ZINC000423322662 278349752 /nfs/dbraw/zinc/34/97/52/278349752.db2.gz OCAOCOOFNZAJHJ-ZWNOBZJWSA-N 1 3 264.438 3.015 20 0 CGADHO CC[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758510 288038944 /nfs/dbraw/zinc/03/89/44/288038944.db2.gz QFZCMCNWCVKSBV-HOTGVXAUSA-N 1 3 292.471 3.115 20 0 CGADHO CC[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758510 288038945 /nfs/dbraw/zinc/03/89/45/288038945.db2.gz QFZCMCNWCVKSBV-HOTGVXAUSA-N 1 3 292.471 3.115 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422974416 278800584 /nfs/dbraw/zinc/80/05/84/278800584.db2.gz FAGHZNGKSIXUNW-ZACQAIPSSA-N 1 3 284.488 3.074 20 0 CGADHO CC(C)CC[C@](C)(O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422974415 278800623 /nfs/dbraw/zinc/80/06/23/278800623.db2.gz FAGHZNGKSIXUNW-ULQDDVLXSA-N 1 3 284.488 3.074 20 0 CGADHO Cc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414804423 278806939 /nfs/dbraw/zinc/80/69/39/278806939.db2.gz DVXJANMQGJUHPZ-CQSZACIVSA-N 1 3 254.377 3.305 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000355912984 279103007 /nfs/dbraw/zinc/10/30/07/279103007.db2.gz MJSYPYVNHSBCDV-JKSUJKDBSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000355912984 279103009 /nfs/dbraw/zinc/10/30/09/279103009.db2.gz MJSYPYVNHSBCDV-JKSUJKDBSA-N 1 3 252.446 3.371 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCSCC(F)(F)F ZINC000423019546 279367317 /nfs/dbraw/zinc/36/73/17/279367317.db2.gz WDWOESANCJWPIQ-NEPJUHHUSA-N 1 3 298.418 3.182 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000359317436 288160170 /nfs/dbraw/zinc/16/01/70/288160170.db2.gz WBHQPAOUYHJLRJ-JOCBIADPSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423534202 279994710 /nfs/dbraw/zinc/99/47/10/279994710.db2.gz ZPEHIMZPJUHKES-NNBWVPJWSA-N 1 3 276.468 3.164 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000358036239 280010223 /nfs/dbraw/zinc/01/02/23/280010223.db2.gz KXUNIBYQJHATGF-MEWRGDBZSA-N 1 3 296.499 3.290 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251930037 280266006 /nfs/dbraw/zinc/26/60/06/280266006.db2.gz ZENMTQXIBHWHNQ-UGUYLWEFSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CC(F)(F)C1 ZINC000529532847 288258957 /nfs/dbraw/zinc/25/89/57/288258957.db2.gz PLXIFKFVPXRSPI-QWHCGFSZSA-N 1 3 274.399 3.132 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@H](C)CC[NH+](C)C)CCC2 ZINC000339067080 281096961 /nfs/dbraw/zinc/09/69/61/281096961.db2.gz IQMUNBWKLADPKF-PBHICJAKSA-N 1 3 260.425 3.302 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423397708 288323120 /nfs/dbraw/zinc/32/31/20/288323120.db2.gz OLCAQMSAJMXLEL-MXASKKJJSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423397708 288323123 /nfs/dbraw/zinc/32/31/23/288323123.db2.gz OLCAQMSAJMXLEL-MXASKKJJSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+]C2[C@H](C)CCC[C@H]2C)C[C@@H](C)O1 ZINC000537969183 288555725 /nfs/dbraw/zinc/55/57/25/288555725.db2.gz OGHOKWGBBNEYJB-QBPKDAKJSA-N 1 3 296.499 3.290 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123162 289067294 /nfs/dbraw/zinc/06/72/94/289067294.db2.gz PEICUJZIMAGNJB-KSSFIOAISA-N 1 3 272.436 3.384 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000550123162 289067296 /nfs/dbraw/zinc/06/72/96/289067296.db2.gz PEICUJZIMAGNJB-KSSFIOAISA-N 1 3 272.436 3.384 20 0 CGADHO CC(C)C(C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000551537025 289121230 /nfs/dbraw/zinc/12/12/30/289121230.db2.gz YTUHKOLCETXNTJ-IRXDYDNUSA-N 1 3 298.515 3.394 20 0 CGADHO CN(C)CCOCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000447595925 289170243 /nfs/dbraw/zinc/17/02/43/289170243.db2.gz OXSLAXQIBJECFU-GOSISDBHSA-N 1 3 290.451 3.086 20 0 CGADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000552239463 289174136 /nfs/dbraw/zinc/17/41/36/289174136.db2.gz MQPYYNOYHAKKQZ-IRXDYDNUSA-N 1 3 260.425 3.272 20 0 CGADHO Cc1cccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1C ZINC000554880099 289316621 /nfs/dbraw/zinc/31/66/21/289316621.db2.gz AKHJSHUQWGWZEC-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO Cc1cccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1C ZINC000554880099 289316623 /nfs/dbraw/zinc/31/66/23/289316623.db2.gz AKHJSHUQWGWZEC-LJQANCHMSA-N 1 3 286.463 3.467 20 0 CGADHO C[C@H](C[NH2+]C1CCC(C)CC1)CN1CCCCC1 ZINC000038041643 289686638 /nfs/dbraw/zinc/68/66/38/289686638.db2.gz QRMVHOREGTWWHB-HWOWSKLDSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000159974142 290050015 /nfs/dbraw/zinc/05/00/15/290050015.db2.gz SLHHBHWFODUDOV-JKOKRWQUSA-N 1 3 252.789 3.118 20 0 CGADHO C[C@@H]1C[N@@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000415062910 297074791 /nfs/dbraw/zinc/07/47/91/297074791.db2.gz ZQVDXUKFUCBTKA-MROQNXINSA-N 1 3 278.362 3.024 20 0 CGADHO C[C@@H]1C[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)CN ZINC000415062910 297074794 /nfs/dbraw/zinc/07/47/94/297074794.db2.gz ZQVDXUKFUCBTKA-MROQNXINSA-N 1 3 278.362 3.024 20 0 CGADHO [NH3+]CCCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423176644 295231672 /nfs/dbraw/zinc/23/16/72/295231672.db2.gz HNTJRUYCBPZRTH-CYBMUJFWSA-N 1 3 287.432 3.126 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422820716 295248902 /nfs/dbraw/zinc/24/89/02/295248902.db2.gz RZNFTPJILZTMJR-FQUUOJAGSA-N 1 3 292.389 3.462 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414813950 295249130 /nfs/dbraw/zinc/24/91/30/295249130.db2.gz YVOZYRXLGSHGJU-JONQDZQNSA-N 1 3 250.430 3.062 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422821749 295255824 /nfs/dbraw/zinc/25/58/24/295255824.db2.gz YFMIJKOFBXQSRO-RVMXOQNASA-N 1 3 278.362 3.072 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843183 295267452 /nfs/dbraw/zinc/26/74/52/295267452.db2.gz HHQWEPRIVBYCFD-PBHICJAKSA-N 1 3 290.426 3.355 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1cccc2cccnc21 ZINC000422816496 295332990 /nfs/dbraw/zinc/33/29/90/295332990.db2.gz FMEZHFVWFKZWBY-DLBZAZTESA-N 1 3 283.419 3.027 20 0 CGADHO COc1ccccc1[C@H](NCC[C@H](C)[NH3+])C1CCCC1 ZINC000423227801 295404829 /nfs/dbraw/zinc/40/48/29/295404829.db2.gz XAOHCMHCAOHMNG-SUMWQHHRSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000423392178 297109835 /nfs/dbraw/zinc/10/98/35/297109835.db2.gz LGWLVUUQEWTIGY-KBRIMQKVSA-N 1 3 272.436 3.387 20 0 CGADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423392178 297109838 /nfs/dbraw/zinc/10/98/38/297109838.db2.gz LGWLVUUQEWTIGY-KBRIMQKVSA-N 1 3 272.436 3.387 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000422767915 298886362 /nfs/dbraw/zinc/88/63/62/298886362.db2.gz NFDFACWUANRERO-MJBXVCDLSA-N 1 3 260.425 3.342 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423361661 300324460 /nfs/dbraw/zinc/32/44/60/300324460.db2.gz AKWQMMAHLYLBSP-HOCLYGCPSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423533650 300875979 /nfs/dbraw/zinc/87/59/79/300875979.db2.gz YCNMPJKGHQLDSQ-OZWVKWKDSA-N 1 3 288.479 3.308 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)c1 ZINC000346846229 302026925 /nfs/dbraw/zinc/02/69/25/302026925.db2.gz NNTTZVPXNQJEDD-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)c1 ZINC000346846229 302026927 /nfs/dbraw/zinc/02/69/27/302026927.db2.gz NNTTZVPXNQJEDD-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO Cc1cccc([C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346846229 302026929 /nfs/dbraw/zinc/02/69/29/302026929.db2.gz NNTTZVPXNQJEDD-WBVHZDCISA-N 1 3 258.409 3.132 20 0 CGADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000423496204 303410480 /nfs/dbraw/zinc/41/04/80/303410480.db2.gz FZVDBLQWRMJDMX-FSPWUOQZSA-N 1 3 299.393 3.027 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CCCC1 ZINC000162590086 321885207 /nfs/dbraw/zinc/88/52/07/321885207.db2.gz MNDQBYDEDCTOAO-OAHLLOKOSA-N 1 3 290.451 3.295 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCc2ccccc2N2CCCCC2)C1 ZINC000563796264 322010612 /nfs/dbraw/zinc/01/06/12/322010612.db2.gz WOERDMRSCCTSGS-SJORKVTESA-N 1 3 287.451 3.036 20 0 CGADHO C[C@@H](CS[C@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000564798742 322043563 /nfs/dbraw/zinc/04/35/63/322043563.db2.gz QTLLJDUJNDXMHF-RDJZCZTQSA-N 1 3 292.492 3.334 20 0 CGADHO [NH3+]CCC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000565060364 322057974 /nfs/dbraw/zinc/05/79/74/322057974.db2.gz HGDABQZQZTYGBI-UHFFFAOYSA-N 1 3 288.435 3.036 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCC2(Sc3ccccc3)CC2)C1 ZINC000565226670 322068074 /nfs/dbraw/zinc/06/80/74/322068074.db2.gz PRAZIBPGDRZWKR-ZIAGYGMSSA-N 1 3 276.449 3.171 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000565827649 322092845 /nfs/dbraw/zinc/09/28/45/322092845.db2.gz RVIVPKOXQGCZLH-IJLUTSLNSA-N 1 3 278.362 3.085 20 0 CGADHO C[C@@H](C1CC1)[N@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000566351452 322117359 /nfs/dbraw/zinc/11/73/59/322117359.db2.gz IQETTZOJEMDUEG-ZDUSSCGKSA-N 1 3 270.420 3.095 20 0 CGADHO C[C@@H](C1CC1)[N@@H+](Cc1ccc2c(c1)CNCC2)C1CC1 ZINC000566351452 322117362 /nfs/dbraw/zinc/11/73/62/322117362.db2.gz IQETTZOJEMDUEG-ZDUSSCGKSA-N 1 3 270.420 3.095 20 0 CGADHO COc1cc(C)ccc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000566967618 322144801 /nfs/dbraw/zinc/14/48/01/322144801.db2.gz SDUWNYCKSVWITO-DZKIICNBSA-N 1 3 276.424 3.172 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000568049028 322189861 /nfs/dbraw/zinc/18/98/61/322189861.db2.gz KCDBOZKJROTNLV-BZUAXINKSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000568404748 322207731 /nfs/dbraw/zinc/20/77/31/322207731.db2.gz KPTODZPAQSMIJQ-KURKYZTESA-N 1 3 272.436 3.266 20 0 CGADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000568404748 322207732 /nfs/dbraw/zinc/20/77/32/322207732.db2.gz KPTODZPAQSMIJQ-KURKYZTESA-N 1 3 272.436 3.266 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000570623701 322278112 /nfs/dbraw/zinc/27/81/12/322278112.db2.gz DKFBWVRLXMTHAI-HNNXBMFYSA-N 1 3 264.457 3.419 20 0 CGADHO CC1=CC[C@H]([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000570872203 322284576 /nfs/dbraw/zinc/28/45/76/322284576.db2.gz XXRLCFIIYXRGTC-HNNXBMFYSA-N 1 3 250.430 3.197 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOc2ccc3ccccc3c2)C1 ZINC000571061609 322289026 /nfs/dbraw/zinc/28/90/26/322289026.db2.gz ZVDWGIWHZXGOPP-QZTJIDSGSA-N 1 3 298.430 3.468 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCCCOc2ccc3ccccc3c2)C1 ZINC000571061609 322289028 /nfs/dbraw/zinc/28/90/28/322289028.db2.gz ZVDWGIWHZXGOPP-QZTJIDSGSA-N 1 3 298.430 3.468 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C[C@H](C)O1 ZINC000572810681 322355986 /nfs/dbraw/zinc/35/59/86/322355986.db2.gz NILPMNDOSOUSLV-HWWDLCQESA-N 1 3 294.483 3.187 20 0 CGADHO CCN1CCN(CCCC[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000573227108 322376873 /nfs/dbraw/zinc/37/68/73/322376873.db2.gz FZPQWMHNXRJKBS-QGZVFWFLSA-N 1 3 297.531 3.209 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000573593178 322396150 /nfs/dbraw/zinc/39/61/50/322396150.db2.gz FHAYUWOOALYSGJ-CABCVRRESA-N 1 3 278.440 3.165 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000573593178 322396151 /nfs/dbraw/zinc/39/61/51/322396151.db2.gz FHAYUWOOALYSGJ-CABCVRRESA-N 1 3 278.440 3.165 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000388821097 328498226 /nfs/dbraw/zinc/49/82/26/328498226.db2.gz WHLJRZAINDWGRE-CVEARBPZSA-N 1 3 262.441 3.103 20 0 CGADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCCc2ccc(F)cc2)C1 ZINC000582617946 329118810 /nfs/dbraw/zinc/11/88/10/329118810.db2.gz ZZRZUXVVLOWFQF-IAGOWNOFSA-N 1 3 278.415 3.398 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Cl ZINC000583823358 329481325 /nfs/dbraw/zinc/48/13/25/329481325.db2.gz USOAHVOXRVWINE-MGPQQGTHSA-N 1 3 296.842 3.357 20 0 CGADHO CCCN1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000191635385 330347144 /nfs/dbraw/zinc/34/71/44/330347144.db2.gz IFJKNIHXMOTEPJ-KRWDZBQOSA-N 1 3 288.435 3.234 20 0 CGADHO [NH3+][C@H]1C[C@@H](NCCc2cccc3[nH]ccc32)c2ccccc21 ZINC000576338158 335191179 /nfs/dbraw/zinc/19/11/79/335191179.db2.gz UQMKNBZUHDDHGP-PKOBYXMFSA-N 1 3 291.398 3.445 20 0 CGADHO CCC[C@@H](C)[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000576470818 335208670 /nfs/dbraw/zinc/20/86/70/335208670.db2.gz RZICOVXAQRVFEW-CRAIPNDOSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@@H](C)[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000576470818 335208671 /nfs/dbraw/zinc/20/86/71/335208671.db2.gz RZICOVXAQRVFEW-CRAIPNDOSA-N 1 3 296.499 3.170 20 0 CGADHO COc1cccc2c1CCC[C@@H]2N[C@H](C)CC[NH+](C)C ZINC000577176795 335316612 /nfs/dbraw/zinc/31/66/12/335316612.db2.gz PQCKCOCESMUWST-CJNGLKHVSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1c[nH+]ccc1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000580688341 335323455 /nfs/dbraw/zinc/32/34/55/335323455.db2.gz NXASAPRDAKIJDL-INIZCTEOSA-N 1 3 289.810 3.180 20 0 CGADHO [NH3+]CCC1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000577378236 335345067 /nfs/dbraw/zinc/34/50/67/335345067.db2.gz OMRXLSFYHWSGDO-UHFFFAOYSA-N 1 3 298.833 3.473 20 0 CGADHO COCCCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000577509221 335362389 /nfs/dbraw/zinc/36/23/89/335362389.db2.gz BNZDQOXIFQNNKL-KURKYZTESA-N 1 3 290.451 3.404 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccc1Cl ZINC000577626781 335381836 /nfs/dbraw/zinc/38/18/36/335381836.db2.gz SJKATWRPORWQCU-OLZOCXBDSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000577626781 335381838 /nfs/dbraw/zinc/38/18/38/335381838.db2.gz SJKATWRPORWQCU-OLZOCXBDSA-N 1 3 280.843 3.477 20 0 CGADHO CCC(CC)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000178091085 335413120 /nfs/dbraw/zinc/41/31/20/335413120.db2.gz WLSBQVJEYNDASB-AWEZNQCLSA-N 1 3 278.440 3.466 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000581489418 336088548 /nfs/dbraw/zinc/08/85/48/336088548.db2.gz XJHJTCGSSOWOTP-MNOVXSKESA-N 1 3 272.795 3.127 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1c(F)cccc1Cl ZINC000581489418 336088550 /nfs/dbraw/zinc/08/85/50/336088550.db2.gz XJHJTCGSSOWOTP-MNOVXSKESA-N 1 3 272.795 3.127 20 0 CGADHO CSCC1CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000385583119 336151995 /nfs/dbraw/zinc/15/19/95/336151995.db2.gz SWDXJUXNBWJJQF-HWOWSKLDSA-N 1 3 284.513 3.228 20 0 CGADHO CSCC1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000385851116 336157950 /nfs/dbraw/zinc/15/79/50/336157950.db2.gz PXEVUSFROQOMOO-QDIHITRGSA-N 1 3 282.497 3.125 20 0 CGADHO COc1cccc2c1CC[C@@H]2NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423289147 533868381 /nfs/dbraw/zinc/86/83/81/533868381.db2.gz AKTUKKSJPCNZJF-UGSOOPFHSA-N 1 3 296.414 3.492 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180166 533899752 /nfs/dbraw/zinc/89/97/52/533899752.db2.gz LIYCBDKGFNGZGZ-RBDSIQFVSA-N 1 3 296.817 3.265 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000414180166 533899758 /nfs/dbraw/zinc/89/97/58/533899758.db2.gz LIYCBDKGFNGZGZ-RBDSIQFVSA-N 1 3 296.817 3.265 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCN1 ZINC000423380468 533963941 /nfs/dbraw/zinc/96/39/41/533963941.db2.gz MRUWBOKNCHPHBX-MWQQHZPXSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@@H](Cc1ccoc1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000449083053 534258865 /nfs/dbraw/zinc/25/88/65/534258865.db2.gz RUUQPVSRVLVVBK-OAGGEKHMSA-N 1 3 278.440 3.168 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000449083053 534258867 /nfs/dbraw/zinc/25/88/67/534258867.db2.gz RUUQPVSRVLVVBK-OAGGEKHMSA-N 1 3 278.440 3.168 20 0 CGADHO c1cc(-c2ccccc2)oc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414824982 534465927 /nfs/dbraw/zinc/46/59/27/534465927.db2.gz BOKYFXOUADYQDY-AWEZNQCLSA-N 1 3 270.376 3.036 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000037643894 521710522 /nfs/dbraw/zinc/71/05/22/521710522.db2.gz BJBSMSUTFJOHTM-ZDUSSCGKSA-N 1 3 286.341 3.137 20 0 CGADHO CCN1CC[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC000037643730 521710537 /nfs/dbraw/zinc/71/05/37/521710537.db2.gz BIQYFQNGJGSQCD-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO CC[N@@H+]1CC[C@@H](CNCc2cccc3ccccc32)C1 ZINC000037643730 521710538 /nfs/dbraw/zinc/71/05/38/521710538.db2.gz BIQYFQNGJGSQCD-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO CC[N@H+]1CC[C@@H](CNCc2cccc3ccccc32)C1 ZINC000037643730 521710541 /nfs/dbraw/zinc/71/05/41/521710541.db2.gz BIQYFQNGJGSQCD-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO CN(Cc1ccccc1Cl)C1CCC([NH3+])CC1 ZINC000055144461 523365677 /nfs/dbraw/zinc/36/56/77/523365677.db2.gz HSKJLYQAAFNBRJ-UHFFFAOYSA-N 1 3 252.789 3.042 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000161511463 523847736 /nfs/dbraw/zinc/84/77/36/523847736.db2.gz WMCXGLZFHZPQOB-INIZCTEOSA-N 1 3 294.483 3.284 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2ccc(F)c(Cl)c2)C1 ZINC000459736668 536384884 /nfs/dbraw/zinc/38/48/84/536384884.db2.gz QJKQEZGQCVVGHF-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO Cc1cccc(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157437344 524363783 /nfs/dbraw/zinc/36/37/83/524363783.db2.gz OJWLMJMBVBFHKV-ZWKOTPCHSA-N 1 3 266.388 3.272 20 0 CGADHO Fc1ccccc1C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157563667 526408640 /nfs/dbraw/zinc/40/86/40/526408640.db2.gz KADSILHLKRHGRK-BHDPWAOGSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1ccccc1C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157563667 526408647 /nfs/dbraw/zinc/40/86/47/526408647.db2.gz KADSILHLKRHGRK-BHDPWAOGSA-N 1 3 288.410 3.288 20 0 CGADHO Clc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000130048871 526966567 /nfs/dbraw/zinc/96/65/67/526966567.db2.gz DJSYLCCXOMGRJQ-SJKOYZFVSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1ccc2c(c1)CC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000130048871 526966572 /nfs/dbraw/zinc/96/65/72/526966572.db2.gz DJSYLCCXOMGRJQ-SJKOYZFVSA-N 1 3 290.838 3.401 20 0 CGADHO CC(C)(N)C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423288040 527258572 /nfs/dbraw/zinc/25/85/72/527258572.db2.gz QATFAIAHNTZRPH-ZDUSSCGKSA-N 1 3 297.240 3.227 20 0 CGADHO C(C1CCOCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171860108 527476373 /nfs/dbraw/zinc/47/63/73/527476373.db2.gz IFQQCUKVZGEBEA-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)[C@@H]1C[C@H]1C1CCC1 ZINC000424378724 527491465 /nfs/dbraw/zinc/49/14/65/527491465.db2.gz ODNIZTRTPGFNLO-NNPSNHGLSA-N 1 3 276.468 3.323 20 0 CGADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H](O)C2CC2)CC1 ZINC000449326628 527646904 /nfs/dbraw/zinc/64/69/04/527646904.db2.gz XRXMBLNWQNNEFF-MRXNPFEDSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423445738 527782422 /nfs/dbraw/zinc/78/24/22/527782422.db2.gz NEVAJTIYSIHHGY-KKUMJFAQSA-N 1 3 278.440 3.498 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000423407614 527829592 /nfs/dbraw/zinc/82/95/92/527829592.db2.gz WDNGJXPIBHOGHI-XUWVNRHRSA-N 1 3 252.446 3.179 20 0 CGADHO CCO[C@@H]1C[C@H](NCC([NH3+])(CC)CC)C12CCCCC2 ZINC000423286862 527936670 /nfs/dbraw/zinc/93/66/70/527936670.db2.gz JDHIQGYVFNNQTO-LSDHHAIUSA-N 1 3 282.472 3.221 20 0 CGADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000367058128 528113656 /nfs/dbraw/zinc/11/36/56/528113656.db2.gz QBFGGVYJBJHQBB-AEFFLSMTSA-N 1 3 289.467 3.429 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414074745 528262138 /nfs/dbraw/zinc/26/21/38/528262138.db2.gz OKDUINVBFMDALI-PMPSAXMXSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423284488 528532005 /nfs/dbraw/zinc/53/20/05/528532005.db2.gz YCQZQKJWXPZPOZ-FZMZJTMJSA-N 1 3 288.357 3.209 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1CNC1 ZINC000423300940 528550827 /nfs/dbraw/zinc/55/08/27/528550827.db2.gz GDVVARMSTWPTAB-MRXNPFEDSA-N 1 3 280.843 3.106 20 0 CGADHO CC(C)C[C@H](Cc1cccc(Cl)c1)NCC1C[NH2+]C1 ZINC000423300940 528550831 /nfs/dbraw/zinc/55/08/31/528550831.db2.gz GDVVARMSTWPTAB-MRXNPFEDSA-N 1 3 280.843 3.106 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@@H+]1CCCC[C@@H]1C ZINC000424126925 528624752 /nfs/dbraw/zinc/62/47/52/528624752.db2.gz CHUNNSQMTFKFQV-INIZCTEOSA-N 1 3 292.471 3.208 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@H+]1CCCC[C@@H]1C ZINC000424126925 528624759 /nfs/dbraw/zinc/62/47/59/528624759.db2.gz CHUNNSQMTFKFQV-INIZCTEOSA-N 1 3 292.471 3.208 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423332925 529032217 /nfs/dbraw/zinc/03/22/17/529032217.db2.gz HMDFPVMRWWPICH-ZWKOTPCHSA-N 1 3 292.442 3.372 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423268498 529072181 /nfs/dbraw/zinc/07/21/81/529072181.db2.gz GKVVJQVVSGYHIY-RDTXWAMCSA-N 1 3 283.419 3.383 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)Cc1cccc2cccnc21 ZINC000128490007 535064590 /nfs/dbraw/zinc/06/45/90/535064590.db2.gz LMVHBKSGUWSLAD-MRXNPFEDSA-N 1 3 271.408 3.040 20 0 CGADHO CC[C@@H](NCC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000126229319 535803141 /nfs/dbraw/zinc/80/31/41/535803141.db2.gz VCKMCNJQVVNKEG-MRXNPFEDSA-N 1 3 282.378 3.347 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(F)c(Cl)c2)C1 ZINC000459736668 536384881 /nfs/dbraw/zinc/38/48/81/536384881.db2.gz QJKQEZGQCVVGHF-GFCCVEGCSA-N 1 3 284.806 3.301 20 0 CGADHO C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1CC[NH+](C)CC1 ZINC000396446147 572485215 /nfs/dbraw/zinc/48/52/15/572485215.db2.gz POCWRURLKUANGV-WWGRRREGSA-N 1 3 276.424 3.223 20 0 CGADHO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccccc1)CC(C)C ZINC000066242745 617676757 /nfs/dbraw/zinc/67/67/57/617676757.db2.gz YBGDOCKGZNCMPC-MRXNPFEDSA-N 1 3 290.455 3.379 20 0 CGADHO C[C@H]1CCC[C@@](CNC(=[NH2+])Nc2ccccc2)(N(C)C)C1 ZINC000052047925 618807653 /nfs/dbraw/zinc/80/76/53/618807653.db2.gz AUMNVKCYMQLSHF-WMLDXEAASA-N 1 3 288.439 3.133 20 0 CGADHO CCOc1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000892584281 618867668 /nfs/dbraw/zinc/86/76/68/618867668.db2.gz IFUCUHWNUFGVEN-OAHLLOKOSA-N 1 3 294.439 3.280 20 0 CGADHO CCOc1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000892584281 618867670 /nfs/dbraw/zinc/86/76/70/618867670.db2.gz IFUCUHWNUFGVEN-OAHLLOKOSA-N 1 3 294.439 3.280 20 0 CGADHO CCOc1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000892584840 618868240 /nfs/dbraw/zinc/86/82/40/618868240.db2.gz OXJMKTJPHPWXHD-HNNXBMFYSA-N 1 3 294.439 3.423 20 0 CGADHO CCOc1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000892584840 618868241 /nfs/dbraw/zinc/86/82/41/618868241.db2.gz OXJMKTJPHPWXHD-HNNXBMFYSA-N 1 3 294.439 3.423 20 0 CGADHO CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)c1 ZINC000163258936 618886897 /nfs/dbraw/zinc/88/68/97/618886897.db2.gz VLWRLWBPMQTPDB-LSDHHAIUSA-N 1 3 276.424 3.078 20 0 CGADHO CCOCc1ccccc1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925525380 619020315 /nfs/dbraw/zinc/02/03/15/619020315.db2.gz APFLQFWVHYZMBA-DLBZAZTESA-N 1 3 290.451 3.219 20 0 CGADHO C(C[C@@H]1CCCS1)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925722526 619171787 /nfs/dbraw/zinc/17/17/87/619171787.db2.gz LRPUPWZGCSVEGM-XHSDSOJGSA-N 1 3 282.497 3.030 20 0 CGADHO C[C@@H]1C[C@H](NCCCCCC2CC[NH2+]CC2)c2nccn21 ZINC000925805956 619256614 /nfs/dbraw/zinc/25/66/14/619256614.db2.gz ADWMAZOYYZKXKU-ZBFHGGJFSA-N 1 3 290.455 3.039 20 0 CGADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1cnc2ccccc2c1 ZINC000925834905 619286600 /nfs/dbraw/zinc/28/66/00/619286600.db2.gz JEMREFHTLQRORP-FUHWJXTLSA-N 1 3 283.419 3.027 20 0 CGADHO CN1CCC[C@@]2(CC[N@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860009 619656646 /nfs/dbraw/zinc/65/66/46/619656646.db2.gz SIXQJNBGXDPUKO-VDNIUXDYSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@@]2(CC[N@@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860009 619656649 /nfs/dbraw/zinc/65/66/49/619656649.db2.gz SIXQJNBGXDPUKO-VDNIUXDYSA-N 1 3 288.410 3.257 20 0 CGADHO C[C@H](N[C@@H](CO)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925274149 620340605 /nfs/dbraw/zinc/34/06/05/620340605.db2.gz JTSZEVLQJPGOQU-KXBFYZLASA-N 1 3 298.430 3.132 20 0 CGADHO [NH3+]CCc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000841033673 620412761 /nfs/dbraw/zinc/41/27/61/620412761.db2.gz RLFZSQNVZSNUBL-UHFFFAOYSA-N 1 3 290.357 3.415 20 0 CGADHO CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000902430919 621315018 /nfs/dbraw/zinc/31/50/18/621315018.db2.gz JYQFLOFCXSVDCJ-IAGOWNOFSA-N 1 3 288.435 3.174 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC000902478420 621327704 /nfs/dbraw/zinc/32/77/04/621327704.db2.gz WSFBVQXZTBFUMS-DFBDCSAJSA-N 1 3 270.420 3.195 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902456207 621333974 /nfs/dbraw/zinc/33/39/74/621333974.db2.gz OCCLJFYAGMKSFG-DGCLKSJQSA-N 1 3 297.393 3.325 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902794473 621450809 /nfs/dbraw/zinc/45/08/09/621450809.db2.gz WMRBEUQWKIQIOD-BZUAXINKSA-N 1 3 264.457 3.275 20 0 CGADHO CCO[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000902832962 621466561 /nfs/dbraw/zinc/46/65/61/621466561.db2.gz SNRLAELVGBBIOH-SJLPKXTDSA-N 1 3 294.483 3.331 20 0 CGADHO C1CC1[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC13CCCC3)C2 ZINC000903158405 621602852 /nfs/dbraw/zinc/60/28/52/621602852.db2.gz AHGNROXGRNGCES-YPAMNDHTSA-N 1 3 260.425 3.067 20 0 CGADHO C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC13CCCC3)C2 ZINC000903158405 621602861 /nfs/dbraw/zinc/60/28/61/621602861.db2.gz AHGNROXGRNGCES-YPAMNDHTSA-N 1 3 260.425 3.067 20 0 CGADHO NC[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856168 621821225 /nfs/dbraw/zinc/82/12/25/621821225.db2.gz QRLKQTLCDZODSH-OCCSQVGLSA-N 1 3 284.325 3.019 20 0 CGADHO NC[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1 ZINC000903856168 621821227 /nfs/dbraw/zinc/82/12/27/621821227.db2.gz QRLKQTLCDZODSH-OCCSQVGLSA-N 1 3 284.325 3.019 20 0 CGADHO C[C@@H](c1cc(F)ccc1F)N(C)CC1CC[NH+](C)CC1 ZINC000154792000 624368985 /nfs/dbraw/zinc/36/89/85/624368985.db2.gz ZAXSUINBFBGSKW-LBPRGKRZSA-N 1 3 282.378 3.299 20 0 CGADHO Cc1ccsc1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925479361 624475563 /nfs/dbraw/zinc/47/55/63/624475563.db2.gz GOQLPCCXFBTELF-HUUCEWRRSA-N 1 3 278.465 3.314 20 0 CGADHO C[C@@H]1[C@@H](c2ccccc2)CCN1CCC[NH2+]C1CC1 ZINC000923316575 626145119 /nfs/dbraw/zinc/14/51/19/626145119.db2.gz KRNJIAOMYDNGMD-PBHICJAKSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCNC1CC1 ZINC000923316575 626145121 /nfs/dbraw/zinc/14/51/21/626145121.db2.gz KRNJIAOMYDNGMD-PBHICJAKSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCNC1CC1 ZINC000923316575 626145123 /nfs/dbraw/zinc/14/51/23/626145123.db2.gz KRNJIAOMYDNGMD-PBHICJAKSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000754785648 626587431 /nfs/dbraw/zinc/58/74/31/626587431.db2.gz MZMSPPJEWUNJPE-COXVUDFISA-N 1 3 276.399 3.146 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000754785648 626587433 /nfs/dbraw/zinc/58/74/33/626587433.db2.gz MZMSPPJEWUNJPE-COXVUDFISA-N 1 3 276.399 3.146 20 0 CGADHO C[C@@H](c1ccncc1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000757882499 626812643 /nfs/dbraw/zinc/81/26/43/626812643.db2.gz PXRQNVYHTRNWOX-HNNXBMFYSA-N 1 3 283.419 3.336 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCc3ccccc32)CC1 ZINC000759967430 626933310 /nfs/dbraw/zinc/93/33/10/626933310.db2.gz PMWNATNUXLMCEI-IRXDYDNUSA-N 1 3 272.436 3.133 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)CC1 ZINC000759967430 626933312 /nfs/dbraw/zinc/93/33/12/626933312.db2.gz PMWNATNUXLMCEI-IRXDYDNUSA-N 1 3 272.436 3.133 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299373 628480202 /nfs/dbraw/zinc/48/02/02/628480202.db2.gz RVWVTTWEZHDNMA-SCTDSRPQSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000780299373 628480206 /nfs/dbraw/zinc/48/02/06/628480206.db2.gz RVWVTTWEZHDNMA-SCTDSRPQSA-N 1 3 284.447 3.133 20 0 CGADHO C(C1CCCCC1)N1CCC([NH2+]C2CCC2)CC1 ZINC000781478242 628563719 /nfs/dbraw/zinc/56/37/19/628563719.db2.gz KKVMOMUOSBYYSI-UHFFFAOYSA-N 1 3 250.430 3.173 20 0 CGADHO C[C@H](C1CC1)[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000782181816 628620590 /nfs/dbraw/zinc/62/05/90/628620590.db2.gz YNNHVSQQZNAMKX-CVEARBPZSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](C1CC1)[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000782181816 628620592 /nfs/dbraw/zinc/62/05/92/628620592.db2.gz YNNHVSQQZNAMKX-CVEARBPZSA-N 1 3 264.457 3.229 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000862483868 629386255 /nfs/dbraw/zinc/38/62/55/629386255.db2.gz ZRGCCRYPRMFWOY-ZDUSSCGKSA-N 1 3 298.833 3.343 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1cn(C(F)F)c2ccccc12 ZINC000863545840 629603457 /nfs/dbraw/zinc/60/34/57/629603457.db2.gz IAZAPDHOLHJQNZ-QWRGUYRKSA-N 1 3 281.350 3.252 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCSC(C)(C)C)C2 ZINC000878661350 635596350 /nfs/dbraw/zinc/59/63/50/635596350.db2.gz BNXWOCYHLLOUDF-INIZCTEOSA-N 1 3 284.513 3.326 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCSC(C)(C)C)C2 ZINC000878661350 635596356 /nfs/dbraw/zinc/59/63/56/635596356.db2.gz BNXWOCYHLLOUDF-INIZCTEOSA-N 1 3 284.513 3.326 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000815583478 631800644 /nfs/dbraw/zinc/80/06/44/631800644.db2.gz HEGCTHZODXBNMS-IPYPFGDCSA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000815583478 631800648 /nfs/dbraw/zinc/80/06/48/631800648.db2.gz HEGCTHZODXBNMS-IPYPFGDCSA-N 1 3 264.388 3.267 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817905271 632232436 /nfs/dbraw/zinc/23/24/36/632232436.db2.gz LQUXOEBIOSHVBZ-QYZOEREBSA-N 1 3 298.430 3.123 20 0 CGADHO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000817908110 632233843 /nfs/dbraw/zinc/23/38/43/632233843.db2.gz OOERQVAIYMFRPP-AWEZNQCLSA-N 1 3 283.419 3.316 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@]1(C)CC1(Cl)Cl ZINC000817935703 632238168 /nfs/dbraw/zinc/23/81/68/632238168.db2.gz DCONMWPAVOFQIU-FRRDWIJNSA-N 1 3 293.282 3.471 20 0 CGADHO Cc1cc([C@@H](C)NCc2ccc(CC[NH3+])cc2)c(C)o1 ZINC000817947374 632242995 /nfs/dbraw/zinc/24/29/95/632242995.db2.gz DAXPMUZBZWLPTC-CYBMUJFWSA-N 1 3 272.392 3.248 20 0 CGADHO COc1cc(C)c([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C ZINC000817946571 632243133 /nfs/dbraw/zinc/24/31/33/632243133.db2.gz AAGAMZHIEFSMNT-HRCADAONSA-N 1 3 290.451 3.351 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)c(F)c1 ZINC000817947409 632244301 /nfs/dbraw/zinc/24/43/01/632244301.db2.gz NDBKXBHOHYGULD-LBPRGKRZSA-N 1 3 290.357 3.317 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccsc1 ZINC000817948275 632244679 /nfs/dbraw/zinc/24/46/79/632244679.db2.gz WJESSSXYXFLWSI-LBPRGKRZSA-N 1 3 260.406 3.100 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H]([NH3+])c1ccccc1 ZINC000817955136 632249807 /nfs/dbraw/zinc/24/98/07/632249807.db2.gz QUUFKJAWUAUVFY-ROUUACIJSA-N 1 3 266.388 3.272 20 0 CGADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(SC(F)F)cc1 ZINC000817963657 632258482 /nfs/dbraw/zinc/25/84/82/632258482.db2.gz WWNHRSGGBHIRMQ-NXEZZACHSA-N 1 3 274.380 3.247 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817963661 632258747 /nfs/dbraw/zinc/25/87/47/632258747.db2.gz WWNHRSGGBHIRMQ-ZJUUUORDSA-N 1 3 274.380 3.247 20 0 CGADHO Cc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cnc1Cl ZINC000818431371 632318140 /nfs/dbraw/zinc/31/81/40/632318140.db2.gz JYISLPYKMHRXPQ-ZDUSSCGKSA-N 1 3 293.842 3.007 20 0 CGADHO C[N@@H+]1CC[C@@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865830911 632904988 /nfs/dbraw/zinc/90/49/88/632904988.db2.gz VZBDSUJVXVJFOE-JHJVBQTASA-N 1 3 290.373 3.346 20 0 CGADHO C[N@H+]1CC[C@@H](N[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1(C)C ZINC000865830911 632904990 /nfs/dbraw/zinc/90/49/90/632904990.db2.gz VZBDSUJVXVJFOE-JHJVBQTASA-N 1 3 290.373 3.346 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866261866 633049967 /nfs/dbraw/zinc/04/99/67/633049967.db2.gz XYFVYUJLQBZBTJ-NXHRZFHOSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866261863 633050253 /nfs/dbraw/zinc/05/02/53/633050253.db2.gz XYFVYUJLQBZBTJ-BPQIPLTHSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000872017395 633938871 /nfs/dbraw/zinc/93/88/71/633938871.db2.gz AVNRHSWYCDTQPW-IKGGRYGDSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)CN1CCCCC1 ZINC000872025822 633946241 /nfs/dbraw/zinc/94/62/41/633946241.db2.gz UHRWWWBUJBTKPG-ZACQAIPSSA-N 1 3 296.499 3.292 20 0 CGADHO c1c(C[N@@H+]2CC[C@@H](C3CCC3)C2)sc2c1CNCC2 ZINC000873212915 634286323 /nfs/dbraw/zinc/28/63/23/634286323.db2.gz CNUFKQKWYVEUED-CYBMUJFWSA-N 1 3 276.449 3.016 20 0 CGADHO c1c(C[N@H+]2CC[C@@H](C3CCC3)C2)sc2c1CNCC2 ZINC000873212915 634286327 /nfs/dbraw/zinc/28/63/27/634286327.db2.gz CNUFKQKWYVEUED-CYBMUJFWSA-N 1 3 276.449 3.016 20 0 CGADHO COc1ccccc1[C@@H]1CCC[N@H+](CC(C)(C)N)CC1 ZINC000873224690 634290744 /nfs/dbraw/zinc/29/07/44/634290744.db2.gz GDTKSRQWEOQJIM-CQSZACIVSA-N 1 3 276.424 3.002 20 0 CGADHO COc1ccccc1[C@@H]1CCC[N@@H+](CC(C)(C)N)CC1 ZINC000873224690 634290749 /nfs/dbraw/zinc/29/07/49/634290749.db2.gz GDTKSRQWEOQJIM-CQSZACIVSA-N 1 3 276.424 3.002 20 0 CGADHO Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000877525334 635071433 /nfs/dbraw/zinc/07/14/33/635071433.db2.gz ZPIOEPDQDBGUOA-SJLPKXTDSA-N 1 3 274.452 3.246 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000841090387 635121171 /nfs/dbraw/zinc/12/11/71/635121171.db2.gz OOPAXCFQPLCLKB-FRRDWIJNSA-N 1 3 290.373 3.372 20 0 CGADHO CN1CC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573680 635813714 /nfs/dbraw/zinc/81/37/14/635813714.db2.gz PORRWJJMPWNSEB-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000879573680 635813718 /nfs/dbraw/zinc/81/37/18/635813718.db2.gz PORRWJJMPWNSEB-RDJZCZTQSA-N 1 3 292.854 3.299 20 0 CGADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1cc2cnccc2o1 ZINC000879712268 635840243 /nfs/dbraw/zinc/84/02/43/635840243.db2.gz IMNSTKOWRCVIIS-HIFRSBDPSA-N 1 3 287.407 3.353 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000844923496 635985270 /nfs/dbraw/zinc/98/52/70/635985270.db2.gz GXLIGMNYHJYGHE-CQSZACIVSA-N 1 3 296.414 3.192 20 0 CGADHO CC1([NH+]2CCC2)CCN([C@H]2C=CCCCCC2)CC1 ZINC000880473926 636007239 /nfs/dbraw/zinc/00/72/39/636007239.db2.gz PRIDOQVGVZNIAF-INIZCTEOSA-N 1 3 262.441 3.436 20 0 CGADHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000849063807 636737489 /nfs/dbraw/zinc/73/74/89/636737489.db2.gz OVTQNOANOMBWEX-MRXNPFEDSA-N 1 3 294.487 3.088 20 0 CGADHO CN(CC[C@@H]1CCCC1(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000883424242 636751594 /nfs/dbraw/zinc/75/15/94/636751594.db2.gz LOWZWFGFJKBOFL-ICIURTGMSA-N 1 3 272.383 3.027 20 0 CGADHO N[C@@H]1CCCCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438428 636756085 /nfs/dbraw/zinc/75/60/85/636756085.db2.gz SJRGSZRXUWBAED-FGTMMUONSA-N 1 3 288.435 3.110 20 0 CGADHO N[C@@H]1CCCCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883438428 636756094 /nfs/dbraw/zinc/75/60/94/636756094.db2.gz SJRGSZRXUWBAED-FGTMMUONSA-N 1 3 288.435 3.110 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000850439731 637064883 /nfs/dbraw/zinc/06/48/83/637064883.db2.gz NXMPRKRRQIXNPV-SUJAAXHWSA-N 1 3 264.457 3.274 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CCCC2CCOCC2)CC1 ZINC000886717625 637669609 /nfs/dbraw/zinc/66/96/09/637669609.db2.gz FBRYINKSWBDGTN-UHFFFAOYSA-N 1 3 294.483 3.144 20 0 CGADHO CC[C@@H](CC(F)F)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134456 637755117 /nfs/dbraw/zinc/75/51/17/637755117.db2.gz KAKQDTMFMABDRY-KGLIPLIRSA-N 1 3 297.393 3.274 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000924526992 638349926 /nfs/dbraw/zinc/34/99/26/638349926.db2.gz JFMXZNQXXBKEJQ-UKRRQHHQSA-N 1 3 293.455 3.461 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)C1 ZINC000924704980 638392080 /nfs/dbraw/zinc/39/20/80/638392080.db2.gz JKRLEGXJXHVSFE-QLFBSQMISA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@H](C)c2ccncc2)CC1 ZINC000925220991 638477361 /nfs/dbraw/zinc/47/73/61/638477361.db2.gz HOOKDFSRIJPPNF-INIZCTEOSA-N 1 3 289.467 3.285 20 0 CGADHO FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925543735 638523272 /nfs/dbraw/zinc/52/32/72/638523272.db2.gz WKJRWHMYUSTHRI-XQQFMLRXSA-N 1 3 290.373 3.229 20 0 CGADHO C[C@H](C[C@H](O)c1cccs1)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925616060 638545288 /nfs/dbraw/zinc/54/52/88/638545288.db2.gz QAXPNHSMLJITSJ-SYQHCUMBSA-N 1 3 296.480 3.056 20 0 CGADHO Cc1cncc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)c1 ZINC000925642745 638554235 /nfs/dbraw/zinc/55/42/35/638554235.db2.gz BXQCCBAUKUFQOY-HNNXBMFYSA-N 1 3 283.419 3.302 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000925662597 638561185 /nfs/dbraw/zinc/56/11/85/638561185.db2.gz JTEYJYOYUPHAGD-CRWXNKLISA-N 1 3 286.410 3.178 20 0 CGADHO CCSc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000925732531 638586091 /nfs/dbraw/zinc/58/60/91/638586091.db2.gz PJFUDEZIEQVKEG-NEPJUHHUSA-N 1 3 252.427 3.014 20 0 CGADHO CC(C)Oc1cccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000858100070 638628057 /nfs/dbraw/zinc/62/80/57/638628057.db2.gz IUCZDPJEOCTKIZ-MRXNPFEDSA-N 1 3 290.451 3.436 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000858245875 638662948 /nfs/dbraw/zinc/66/29/48/638662948.db2.gz QNHPTSCGWIPNEV-HNNXBMFYSA-N 1 3 283.419 3.056 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)N1CCCCC1 ZINC000926146295 638722365 /nfs/dbraw/zinc/72/23/65/638722365.db2.gz UNUJAWGMUXNMJW-NJAFHUGGSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490315 638740818 /nfs/dbraw/zinc/74/08/18/638740818.db2.gz GEIAUFOBKFIYIB-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1CCCC[N@H+](C)C1 ZINC000858490315 638740820 /nfs/dbraw/zinc/74/08/20/638740820.db2.gz GEIAUFOBKFIYIB-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490315 638740825 /nfs/dbraw/zinc/74/08/25/638740825.db2.gz GEIAUFOBKFIYIB-MAUKXSAKSA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926796907 638812989 /nfs/dbraw/zinc/81/29/89/638812989.db2.gz DHCIJUGDYBDJFE-LERXQTSPSA-N 1 3 286.341 3.350 20 0 CGADHO C[NH+](C)CC[C@H](N[C@@H]1C[C@H]2C=C[C@@H]1CC2)c1cccnc1 ZINC000926897473 638822909 /nfs/dbraw/zinc/82/29/09/638822909.db2.gz JDXGQWRVFDBNEW-CIRFHOKZSA-N 1 3 285.435 3.019 20 0 CGADHO CCCC[N@H+](CC[C@@H](C)O)C1CC(C)(C)NC(C)(C)C1 ZINC000931033857 639100595 /nfs/dbraw/zinc/10/05/95/639100595.db2.gz KUQKXLFEZLRIAB-CQSZACIVSA-N 1 3 284.488 3.169 20 0 CGADHO CCCC[N@@H+](CC[C@@H](C)O)C1CC(C)(C)NC(C)(C)C1 ZINC000931033857 639100599 /nfs/dbraw/zinc/10/05/99/639100599.db2.gz KUQKXLFEZLRIAB-CQSZACIVSA-N 1 3 284.488 3.169 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096060 640519061 /nfs/dbraw/zinc/51/90/61/640519061.db2.gz URQUSOZIEIRQRJ-AEFFLSMTSA-N 1 3 290.451 3.036 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000081096060 640519066 /nfs/dbraw/zinc/51/90/66/640519066.db2.gz URQUSOZIEIRQRJ-AEFFLSMTSA-N 1 3 290.451 3.036 20 0 CGADHO CC(C)Oc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000250572197 640814371 /nfs/dbraw/zinc/81/43/71/640814371.db2.gz ABUIOGBQXFLYJU-JLJPHGGASA-N 1 3 276.424 3.252 20 0 CGADHO CCC[NH+]1CCC(N[C@H](C)C[C@@H](O)c2cccs2)CC1 ZINC000305782797 640904717 /nfs/dbraw/zinc/90/47/17/640904717.db2.gz VRCMHIYPLXBDFJ-UKRRQHHQSA-N 1 3 296.480 3.024 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]C(C)(C)c1ccnc(Cl)c1 ZINC001157948407 805907365 /nfs/dbraw/zinc/90/73/65/805907365.db2.gz GSQCSUOOCXLDSW-UHFFFAOYSA-N 1 3 283.847 3.148 20 0 CGADHO CN1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC001254501816 806423028 /nfs/dbraw/zinc/42/30/28/806423028.db2.gz YLMJXEJXLSFYLZ-SFHVURJKSA-N 1 3 268.404 3.414 20 0 CGADHO C[N@@H+]1CCC[C@H](NCc2ccc3ccccc3c2)CC1 ZINC001254501816 806423031 /nfs/dbraw/zinc/42/30/31/806423031.db2.gz YLMJXEJXLSFYLZ-SFHVURJKSA-N 1 3 268.404 3.414 20 0 CGADHO C[N@H+]1CCC[C@H](NCc2ccc3ccccc3c2)CC1 ZINC001254501816 806423040 /nfs/dbraw/zinc/42/30/40/806423040.db2.gz YLMJXEJXLSFYLZ-SFHVURJKSA-N 1 3 268.404 3.414 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccccc1F ZINC001254505897 806426035 /nfs/dbraw/zinc/42/60/35/806426035.db2.gz LEVUMIHUNJSQAB-CJNGLKHVSA-N 1 3 264.388 3.351 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525468 806439759 /nfs/dbraw/zinc/43/97/59/806439759.db2.gz JHDAQFNRNMGISC-WBVHZDCISA-N 1 3 276.399 3.099 20 0 CGADHO C[N@H+]1CCC[C@H](N2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001254525468 806439763 /nfs/dbraw/zinc/43/97/63/806439763.db2.gz JHDAQFNRNMGISC-WBVHZDCISA-N 1 3 276.399 3.099 20 0 CGADHO CN(CCc1ccccc1Cl)[C@@H]1CCC[N@H+](C)CC1 ZINC001254527506 806442708 /nfs/dbraw/zinc/44/27/08/806442708.db2.gz YRXZBYOTMKULHQ-OAHLLOKOSA-N 1 3 280.843 3.299 20 0 CGADHO CN(CCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254527506 806442710 /nfs/dbraw/zinc/44/27/10/806442710.db2.gz YRXZBYOTMKULHQ-OAHLLOKOSA-N 1 3 280.843 3.299 20 0 CGADHO CCCC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001255317899 806609285 /nfs/dbraw/zinc/60/92/85/806609285.db2.gz UXJAHWOJDZLXNQ-HNNXBMFYSA-N 1 3 282.472 3.046 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)co1 ZINC001255385089 806630938 /nfs/dbraw/zinc/63/09/38/806630938.db2.gz DQJZGPDQILJJAG-GOSISDBHSA-N 1 3 284.403 3.424 20 0 CGADHO C[C@H](N)c1nc2ccccc2n1-c1ccc([C@H](C)[NH3+])cc1 ZINC001162776672 806663008 /nfs/dbraw/zinc/66/30/08/806663008.db2.gz AAMIUYYBLDSESN-RYUDHWBXSA-N 1 3 280.375 3.065 20 0 CGADHO C[NH2+]C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000383373635 799403107 /nfs/dbraw/zinc/40/31/07/799403107.db2.gz KABBIOBQRVFXNV-UHFFFAOYSA-N 1 3 276.468 3.277 20 0 CGADHO CCCN(CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000383614001 799405906 /nfs/dbraw/zinc/40/59/06/799405906.db2.gz YWFRKMNLSDASFV-KRWDZBQOSA-N 1 3 260.425 3.431 20 0 CGADHO CO[C@H]1C[C@@H](NCCC[NH+](C(C)C)C(C)C)C12CCC2 ZINC000453131124 799633077 /nfs/dbraw/zinc/63/30/77/799633077.db2.gz ZEOXCMLSQFHWMA-CVEARBPZSA-N 1 3 282.472 3.043 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1ccc2ccccc2n1 ZINC001255949775 806793410 /nfs/dbraw/zinc/79/34/10/806793410.db2.gz ARSIOONSJQSSEG-INIZCTEOSA-N 1 3 299.462 3.487 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708848593 799996436 /nfs/dbraw/zinc/99/64/36/799996436.db2.gz FZYUHGDTKXQEBN-BRWVUGGUSA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708848593 799996440 /nfs/dbraw/zinc/99/64/40/799996440.db2.gz FZYUHGDTKXQEBN-BRWVUGGUSA-N 1 3 264.457 3.419 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)Cc1cccnc1 ZINC001255950902 806795787 /nfs/dbraw/zinc/79/57/87/806795787.db2.gz FEFKPMLMKYRLJJ-OAHLLOKOSA-N 1 3 277.456 3.113 20 0 CGADHO CC1(C)CCC[C@H]([N@@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000709791710 800019300 /nfs/dbraw/zinc/01/93/00/800019300.db2.gz VPIFXMDASZNWIU-GOEBONIOSA-N 1 3 250.430 3.031 20 0 CGADHO CC1(C)CCC[C@H]([N@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000709791710 800019306 /nfs/dbraw/zinc/01/93/06/800019306.db2.gz VPIFXMDASZNWIU-GOEBONIOSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709871990 800021776 /nfs/dbraw/zinc/02/17/76/800021776.db2.gz VVCNFWYUUTUODA-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709871990 800021783 /nfs/dbraw/zinc/02/17/83/800021783.db2.gz VVCNFWYUUTUODA-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO C/C=C/CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716691637 800178525 /nfs/dbraw/zinc/17/85/25/800178525.db2.gz IRUTYWDVODMNPL-MRJGYAATSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C/CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716691637 800178527 /nfs/dbraw/zinc/17/85/27/800178527.db2.gz IRUTYWDVODMNPL-MRJGYAATSA-N 1 3 270.420 3.205 20 0 CGADHO C/C=C/C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716691637 800178531 /nfs/dbraw/zinc/17/85/31/800178531.db2.gz IRUTYWDVODMNPL-MRJGYAATSA-N 1 3 270.420 3.205 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC(C)CC2)CC1 ZINC000718748434 800220244 /nfs/dbraw/zinc/22/02/44/800220244.db2.gz ACNSGZPXEDLXJB-IAGOWNOFSA-N 1 3 282.472 3.046 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000718751430 800221415 /nfs/dbraw/zinc/22/14/15/800221415.db2.gz JSOBURVLEWQEEA-GVDBMIGSSA-N 1 3 282.472 3.188 20 0 CGADHO C[C@H]1CC(N2Cc3ccccc3C[C@@H]2C[NH3+])C[C@H](C)C1 ZINC000721501277 800290476 /nfs/dbraw/zinc/29/04/76/800290476.db2.gz GQLDOCLWUUBRHZ-HBUWYVDXSA-N 1 3 272.436 3.197 20 0 CGADHO C[C@@H](c1ccc(Br)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000723675259 800337280 /nfs/dbraw/zinc/33/72/80/800337280.db2.gz VZZUWCZDYJTNEV-RYUDHWBXSA-N 1 3 297.240 3.181 20 0 CGADHO C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(O)cc1 ZINC001256564902 806916919 /nfs/dbraw/zinc/91/69/19/806916919.db2.gz XCWGICHELCRRLI-AWEZNQCLSA-N 1 3 290.451 3.348 20 0 CGADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C)o1 ZINC001256616568 806926306 /nfs/dbraw/zinc/92/63/06/806926306.db2.gz XMLQEIZFWQIAQD-JALIKCBVSA-N 1 3 262.397 3.254 20 0 CGADHO C=Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001256615446 806926566 /nfs/dbraw/zinc/92/65/66/806926566.db2.gz HYADEEMNMOQAMN-ALOPSCKCSA-N 1 3 256.393 3.044 20 0 CGADHO Cc1ccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)nc1 ZINC001275401039 808935827 /nfs/dbraw/zinc/93/58/27/808935827.db2.gz HFNBBMRKTRWIHV-UHFFFAOYSA-N 1 3 299.462 3.230 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991886 802625657 /nfs/dbraw/zinc/62/56/57/802625657.db2.gz ROSMJOVCLRFIKS-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991886 802625663 /nfs/dbraw/zinc/62/56/63/802625663.db2.gz ROSMJOVCLRFIKS-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCc3cc(OC)ccc32)C1 ZINC001118991886 802625666 /nfs/dbraw/zinc/62/56/66/802625666.db2.gz ROSMJOVCLRFIKS-KDOFPFPSSA-N 1 3 288.435 3.004 20 0 CGADHO CCCc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205280913 812928236 /nfs/dbraw/zinc/92/82/36/812928236.db2.gz LRXHEPRBFOFHHO-KRWDZBQOSA-N 1 3 260.425 3.342 20 0 CGADHO CCc1cc(CN2CCC[C@@](C)([NH3+])CC2)cc(CC)c1O ZINC001205280987 812928250 /nfs/dbraw/zinc/92/82/50/812928250.db2.gz NOPOJHDWPFZQPJ-GOSISDBHSA-N 1 3 290.451 3.220 20 0 CGADHO c1nc2ccc(C3=CNCCC3)cc2n1[C@@H]1CCC[NH2+]CC1 ZINC001243951778 803097401 /nfs/dbraw/zinc/09/74/01/803097401.db2.gz DORNXQIFIGYBHC-MRXNPFEDSA-N 1 3 296.418 3.075 20 0 CGADHO Cc1cc(CN2C[C@@H](C[NH3+])CC[C@H]2C)ccc1OC(C)C ZINC001206809953 813443356 /nfs/dbraw/zinc/44/33/56/813443356.db2.gz MPQBZTSJGHPSJN-NVXWUHKLSA-N 1 3 290.451 3.341 20 0 CGADHO [NH3+]CCOc1cccc(-c2ccc(C3=NCCC3)cc2)c1 ZINC001244322560 803302372 /nfs/dbraw/zinc/30/23/72/803302372.db2.gz UTSUZKMOKIFHGJ-UHFFFAOYSA-N 1 3 280.371 3.274 20 0 CGADHO Cc1cccc(C)c1CN1CCN(c2cc[nH+]cc2C)CC1 ZINC001137854309 803786535 /nfs/dbraw/zinc/78/65/35/803786535.db2.gz QSQWEEVPTMXREG-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO CC[C@H]1CC(NCCc2ccccc2C)C[C@H](CC)[NH2+]1 ZINC001246076444 804113525 /nfs/dbraw/zinc/11/35/25/804113525.db2.gz OYGBBQQHPQWDLV-IRXDYDNUSA-N 1 3 274.452 3.436 20 0 CGADHO CC1(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CNC1 ZINC001246092700 804125473 /nfs/dbraw/zinc/12/54/73/804125473.db2.gz FXICDCGTQSYWFJ-LBPRGKRZSA-N 1 3 299.245 3.050 20 0 CGADHO CC1(CN[C@H]2CCc3cc(Cl)c(Cl)cc3C2)C[NH2+]C1 ZINC001246092700 804125477 /nfs/dbraw/zinc/12/54/77/804125477.db2.gz FXICDCGTQSYWFJ-LBPRGKRZSA-N 1 3 299.245 3.050 20 0 CGADHO CCC(C)(C)C1CCC([NH2+][C@]2(C)CCNC2)CC1 ZINC001246099757 804131538 /nfs/dbraw/zinc/13/15/38/804131538.db2.gz YRPXWVQVPGCEOA-ZBCRRDGASA-N 1 3 252.446 3.323 20 0 CGADHO Fc1cccc(F)c1CNC1CCC2(CCC[NH2+]C2)CC1 ZINC001246101026 804133839 /nfs/dbraw/zinc/13/38/39/804133839.db2.gz WMMRNFQBCVCWEH-UHFFFAOYSA-N 1 3 294.389 3.367 20 0 CGADHO CC(C)=CCC[C@H](C)NC[C@@]1(F)CCCC[NH2+]C1 ZINC001246115317 804145982 /nfs/dbraw/zinc/14/59/82/804145982.db2.gz RIUKJGPMCOEARF-LSDHHAIUSA-N 1 3 256.409 3.193 20 0 CGADHO C[C@H]1CNC[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246117983 804149292 /nfs/dbraw/zinc/14/92/92/804149292.db2.gz UUWFQSZIPXSYHF-SOUVJXGZSA-N 1 3 250.430 3.077 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119074 804151908 /nfs/dbraw/zinc/15/19/08/804151908.db2.gz AWNVFEPWPPCSNH-ZACQAIPSSA-N 1 3 258.409 3.054 20 0 CGADHO COc1ccc2cc(CC[C@H](C)[NH2+]CCCN)ccc2c1 ZINC001246150659 804169418 /nfs/dbraw/zinc/16/94/18/804169418.db2.gz BGSRTQBKJSDPAZ-AWEZNQCLSA-N 1 3 286.419 3.108 20 0 CGADHO C[NH2+]CC[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC001246151570 804170902 /nfs/dbraw/zinc/17/09/02/804170902.db2.gz GQQZRCXNYDQCGK-UONOGXRCSA-N 1 3 256.393 3.488 20 0 CGADHO CC[C@@H]1C[C@H](NCCSCc2ccco2)C[C@H](CC)[NH2+]1 ZINC001246178870 804191941 /nfs/dbraw/zinc/19/19/41/804191941.db2.gz KNRVYLOAANYOJG-FICVDOATSA-N 1 3 296.480 3.412 20 0 CGADHO CC(C)C[C@H](Cc1ccccc1)N[C@]1(C)CCC[NH2+]C1 ZINC001246191326 804200111 /nfs/dbraw/zinc/20/01/11/804200111.db2.gz VTQMVXWKWRPZDZ-QZTJIDSGSA-N 1 3 274.452 3.376 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](N[C@H](CO)CC2CCCCC2)CC[NH2+]1 ZINC001246229701 804222045 /nfs/dbraw/zinc/22/20/45/804222045.db2.gz LMNANBSZDHNKPK-ULQDDVLXSA-N 1 3 296.499 3.074 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccc(OC)cc2)CC[NH2+]1 ZINC001246231732 804224972 /nfs/dbraw/zinc/22/49/72/804224972.db2.gz DTSPZXONPINDAU-IAGOWNOFSA-N 1 3 290.451 3.138 20 0 CGADHO CCCC[C@@H]1C[C@H]([NH2+]CCc2ccc(OC)cc2)CCN1 ZINC001246231732 804224980 /nfs/dbraw/zinc/22/49/80/804224980.db2.gz DTSPZXONPINDAU-IAGOWNOFSA-N 1 3 290.451 3.138 20 0 CGADHO CC(C)(C)[C@H]1C[C@@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246236158 804228883 /nfs/dbraw/zinc/22/88/83/804228883.db2.gz KKUCLDADLDTNFN-DOTOQJQBSA-N 1 3 290.451 3.212 20 0 CGADHO CC(C)(CN)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC001246242949 804235161 /nfs/dbraw/zinc/23/51/61/804235161.db2.gz FUKNDMPTHWPNBR-UHFFFAOYSA-N 1 3 260.425 3.287 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246307039 804270273 /nfs/dbraw/zinc/27/02/73/804270273.db2.gz CMNUBCMZMXLWIB-SMDDNHRTSA-N 1 3 286.822 3.373 20 0 CGADHO CC[C@H]([NH3+])CCN[C@H](C)Cc1ccc(F)cc1Cl ZINC001246304558 804270407 /nfs/dbraw/zinc/27/04/07/804270407.db2.gz DXZDBUIZFQNJJV-MFKMUULPSA-N 1 3 272.795 3.127 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccc2F)C[C@H](C)N1 ZINC001246309273 804271867 /nfs/dbraw/zinc/27/18/67/804271867.db2.gz NXXXHMPIURCCCA-AGGWBTHJSA-N 1 3 278.415 3.265 20 0 CGADHO C[C@@H]1C[C@@H](NC(C)(C)Cc2ccccc2F)C[C@H](C)[NH2+]1 ZINC001246309273 804271873 /nfs/dbraw/zinc/27/18/73/804271873.db2.gz NXXXHMPIURCCCA-AGGWBTHJSA-N 1 3 278.415 3.265 20 0 CGADHO CC[C@H]([NH3+])CN[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246312144 804273957 /nfs/dbraw/zinc/27/39/57/804273957.db2.gz GEKNFECQZRNNEY-KOLCDFICSA-N 1 3 290.785 3.266 20 0 CGADHO CCc1ccc(C[C@H](C)NC[C@@H]([NH3+])CC(C)C)cc1 ZINC001246313483 804276017 /nfs/dbraw/zinc/27/60/17/804276017.db2.gz UAVNYWVQZVHXHR-YOEHRIQHSA-N 1 3 262.441 3.143 20 0 CGADHO CCCC[C@H]1C[C@H](NCCc2cc(F)cc(F)c2)CC[NH2+]1 ZINC001246325671 804281966 /nfs/dbraw/zinc/28/19/66/804281966.db2.gz KQWYBOJUSRZUBX-DLBZAZTESA-N 1 3 296.405 3.408 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246333570 804288495 /nfs/dbraw/zinc/28/84/95/804288495.db2.gz KBMBYKOARJXUQT-LXTVHRRPSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C2CCC(C(C)C)CC2)CCN1 ZINC001246336927 804291486 /nfs/dbraw/zinc/29/14/86/804291486.db2.gz RPJUIJMSVRCGLS-KNIAUWFNSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC001246346790 804298268 /nfs/dbraw/zinc/29/82/68/804298268.db2.gz JAIBHHDPRJXRHE-KGLIPLIRSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)CN1 ZINC001246363062 804305912 /nfs/dbraw/zinc/30/59/12/804305912.db2.gz OUKVVWKNISVDID-QLFBSQMISA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCNCC1(C)C ZINC001246371389 804307295 /nfs/dbraw/zinc/30/72/95/804307295.db2.gz GUARRVIPELPARQ-SWLSCSKDSA-N 1 3 280.843 3.249 20 0 CGADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C)cc1C ZINC001246375755 804310274 /nfs/dbraw/zinc/31/02/74/804310274.db2.gz KOKIZFYIJWKPIS-BFYDXBDKSA-N 1 3 260.425 3.485 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001246378564 804310916 /nfs/dbraw/zinc/31/09/16/804310916.db2.gz WYSKJBXHKQMUFZ-XJKSGUPXSA-N 1 3 292.854 3.175 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCNCC1(C)C ZINC001246378219 804312601 /nfs/dbraw/zinc/31/26/01/804312601.db2.gz UIVJCYWXTLHKBS-SJORKVTESA-N 1 3 274.452 3.376 20 0 CGADHO CCCCC[C@H](C)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246380117 804313729 /nfs/dbraw/zinc/31/37/29/804313729.db2.gz FAXXCBNKOWVHOF-AWEZNQCLSA-N 1 3 252.446 3.467 20 0 CGADHO Fc1ccc(CC2([NH2+][C@@H]3CCCCNC3)CCC2)cc1 ZINC001246384965 804316991 /nfs/dbraw/zinc/31/69/91/804316991.db2.gz ACGZZIAKOODMKC-MRXNPFEDSA-N 1 3 276.399 3.023 20 0 CGADHO FC1(F)CCC(NC2CC[NH2+]CC2)(c2ccccc2)CC1 ZINC001246403133 804322623 /nfs/dbraw/zinc/32/26/23/804322623.db2.gz LBSHTHWZEDZWMM-UHFFFAOYSA-N 1 3 294.389 3.433 20 0 CGADHO FC1(F)CCC([NH2+]C2CCNCC2)(c2ccccc2)CC1 ZINC001246403133 804322631 /nfs/dbraw/zinc/32/26/31/804322631.db2.gz LBSHTHWZEDZWMM-UHFFFAOYSA-N 1 3 294.389 3.433 20 0 CGADHO CC1(C)C[C@H](NCCc2cccc(Cl)c2F)CC[NH2+]1 ZINC001246420568 804327887 /nfs/dbraw/zinc/32/78/87/804327887.db2.gz JTXPNEUSFXQSFH-GFCCVEGCSA-N 1 3 284.806 3.142 20 0 CGADHO CC1(C)CC[C@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC001246435415 804331323 /nfs/dbraw/zinc/33/13/23/804331323.db2.gz NKSNQZVILYBSPI-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC2)CCN1 ZINC001246438984 804333797 /nfs/dbraw/zinc/33/37/97/804333797.db2.gz MFPMUQOBEIPUME-DLBZAZTESA-N 1 3 290.426 3.269 20 0 CGADHO CCCCCC(CCCCC)[NH2+][C@H]1CC12CNC2 ZINC001246443201 804334441 /nfs/dbraw/zinc/33/44/41/804334441.db2.gz GMCRRFVFPOSUJD-HNNXBMFYSA-N 1 3 252.446 3.467 20 0 CGADHO CC(C)[NH2+]CCN[C@@H]1CCCC2(CCCCC2)C1 ZINC001246457051 804338410 /nfs/dbraw/zinc/33/84/10/804338410.db2.gz CAPVVULKNUQYTI-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(C)(C)C)CC2)CCN1 ZINC001246487825 804357289 /nfs/dbraw/zinc/35/72/89/804357289.db2.gz HLMSBQVJBSDTMA-BYNSBNAKSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@H]([NH2+]C1C[C@H](C)N[C@@H](C)C1)C1CCCCC1 ZINC001246491970 804358809 /nfs/dbraw/zinc/35/88/09/804358809.db2.gz UXNARSVVVXCTLR-XEZPLFJOSA-N 1 3 252.446 3.464 20 0 CGADHO NC12CC([NH2+][C@H]3CCc4cc(Cl)cc(Cl)c4C3)(C1)C2 ZINC001246506458 804366324 /nfs/dbraw/zinc/36/63/24/804366324.db2.gz WDPBPCPJSZJTQG-QGLTVNCISA-N 1 3 297.229 3.074 20 0 CGADHO CC(C)[C@@H](N[C@@H](C)Cc1c(F)cccc1Cl)C1C[NH2+]C1 ZINC001246514575 804369597 /nfs/dbraw/zinc/36/95/97/804369597.db2.gz IICJKDMEGFQTBC-MEDUHNTESA-N 1 3 298.833 3.244 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246518884 804372178 /nfs/dbraw/zinc/37/21/78/804372178.db2.gz QBHXXGLJYCCNAY-RTBURBONSA-N 1 3 286.463 3.376 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](CC)C1CNC1 ZINC001246520121 804374640 /nfs/dbraw/zinc/37/46/40/804374640.db2.gz VAXSXDGCBZKSCO-ROUUACIJSA-N 1 3 274.452 3.376 20 0 CGADHO CC[C@@H]1C[C@H](N(C)CCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246519439 804374968 /nfs/dbraw/zinc/37/49/68/804374968.db2.gz OAPYRJMFMRQGPG-PIIMJCKOSA-N 1 3 274.452 3.470 20 0 CGADHO CC(C)[N@H+](Cc1ccccc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246521135 804376279 /nfs/dbraw/zinc/37/62/79/804376279.db2.gz WPOOYDMCKQFHMS-GJZGRUSLSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)[N@@H+](Cc1ccccc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246521135 804376286 /nfs/dbraw/zinc/37/62/86/804376286.db2.gz WPOOYDMCKQFHMS-GJZGRUSLSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)N(Cc1ccccc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246521135 804376293 /nfs/dbraw/zinc/37/62/93/804376293.db2.gz WPOOYDMCKQFHMS-GJZGRUSLSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(Cl)c2C1)C1CNC1 ZINC001246521029 804377154 /nfs/dbraw/zinc/37/71/54/804377154.db2.gz YJEVCSMRJRKWMR-PBHICJAKSA-N 1 3 292.854 3.031 20 0 CGADHO C[C@H](CSc1ccc(F)cc1)N1CCC[C@H]([NH3+])CC1 ZINC001246539066 804389502 /nfs/dbraw/zinc/38/95/02/804389502.db2.gz APGJRCKAYKQNCO-OCCSQVGLSA-N 1 3 282.428 3.120 20 0 CGADHO [NH3+][C@H]1CCCN([C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001246543578 804392833 /nfs/dbraw/zinc/39/28/33/804392833.db2.gz ULNIROSZRXOGOQ-JKSUJKDBSA-N 1 3 278.827 3.011 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CCC[C@@](C)([NH3+])CC1 ZINC001246546819 804395214 /nfs/dbraw/zinc/39/52/14/804395214.db2.gz AOYUVVOCAHXCNV-CZUORRHYSA-N 1 3 280.843 3.474 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC001246551257 804400317 /nfs/dbraw/zinc/40/03/17/804400317.db2.gz LRXVSHICJWPZSU-RLFYNMQTSA-N 1 3 274.452 3.097 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC001246551257 804400319 /nfs/dbraw/zinc/40/03/19/804400319.db2.gz LRXVSHICJWPZSU-RLFYNMQTSA-N 1 3 274.452 3.097 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246559616 804407449 /nfs/dbraw/zinc/40/74/49/804407449.db2.gz SJOPIYQEUWKIIN-IHRRRGAJSA-N 1 3 276.415 3.363 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559420 804407477 /nfs/dbraw/zinc/40/74/77/804407477.db2.gz BCZTWGKNJNCMCB-VDHUWJSZSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559420 804407481 /nfs/dbraw/zinc/40/74/81/804407481.db2.gz BCZTWGKNJNCMCB-VDHUWJSZSA-N 1 3 272.436 3.382 20 0 CGADHO CCCC1CCC([N@@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246564301 804413101 /nfs/dbraw/zinc/41/31/01/804413101.db2.gz MKOVSKCGEOIKMR-YHNBSYBMSA-N 1 3 252.446 3.405 20 0 CGADHO CCCC1CCC([N@H+]2CCC[C@H](CN)[C@H]2C)CC1 ZINC001246564301 804413106 /nfs/dbraw/zinc/41/31/06/804413106.db2.gz MKOVSKCGEOIKMR-YHNBSYBMSA-N 1 3 252.446 3.405 20 0 CGADHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584822 804428195 /nfs/dbraw/zinc/42/81/95/804428195.db2.gz VBPUUXDCGBMXIQ-CGTJXYLNSA-N 1 3 272.436 3.384 20 0 CGADHO NC[C@@H]1CCCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001246584822 804428197 /nfs/dbraw/zinc/42/81/97/804428197.db2.gz VBPUUXDCGBMXIQ-CGTJXYLNSA-N 1 3 272.436 3.384 20 0 CGADHO C[C@H](Cc1cccc(Cl)c1)N1C[C@H](C[NH3+])CC[C@H]1C ZINC001246593891 804435038 /nfs/dbraw/zinc/43/50/38/804435038.db2.gz UEEROQFADGYONO-NFAWXSAZSA-N 1 3 280.843 3.330 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599047 804438266 /nfs/dbraw/zinc/43/82/66/804438266.db2.gz AFGQXSXLGPBOQE-HOTGVXAUSA-N 1 3 250.430 3.197 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001246599047 804438273 /nfs/dbraw/zinc/43/82/73/804438273.db2.gz AFGQXSXLGPBOQE-HOTGVXAUSA-N 1 3 250.430 3.197 20 0 CGADHO CCC1CCC([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611467 804444404 /nfs/dbraw/zinc/44/44/04/804444404.db2.gz UBLHBWHMLIZFDM-UYSNPLJNSA-N 1 3 250.430 3.173 20 0 CGADHO CCC1CCC([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246611467 804444406 /nfs/dbraw/zinc/44/44/06/804444406.db2.gz UBLHBWHMLIZFDM-UYSNPLJNSA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629416 804460155 /nfs/dbraw/zinc/46/01/55/804460155.db2.gz ZCFYPPXKKLGGIZ-GBESFXJTSA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629416 804460161 /nfs/dbraw/zinc/46/01/61/804460161.db2.gz ZCFYPPXKKLGGIZ-GBESFXJTSA-N 1 3 286.463 3.472 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCC2(CNC2)C1 ZINC001246631008 804460902 /nfs/dbraw/zinc/46/09/02/804460902.db2.gz NLMXNOZJDGOZMF-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCC2(CNC2)C1 ZINC001246631008 804460907 /nfs/dbraw/zinc/46/09/07/804460907.db2.gz NLMXNOZJDGOZMF-QGZVFWFLSA-N 1 3 272.436 3.083 20 0 CGADHO CC(C)C1CCC([N@@H+]2CCC23CCNCC3)CC1 ZINC001246640424 804467598 /nfs/dbraw/zinc/46/75/98/804467598.db2.gz CRQYJESWJGTAKT-UHFFFAOYSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)C1CCC([N@H+]2CCC23CCNCC3)CC1 ZINC001246640424 804467601 /nfs/dbraw/zinc/46/76/01/804467601.db2.gz CRQYJESWJGTAKT-UHFFFAOYSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCCC13CCNCC3)CC2 ZINC001246649448 804477810 /nfs/dbraw/zinc/47/78/10/804477810.db2.gz ZJMUYUSHFIODOR-IBGZPJMESA-N 1 3 298.474 3.460 20 0 CGADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCCC13CCNCC3)CC2 ZINC001246649448 804477813 /nfs/dbraw/zinc/47/78/13/804477813.db2.gz ZJMUYUSHFIODOR-IBGZPJMESA-N 1 3 298.474 3.460 20 0 CGADHO CCCC[C@@H](CC(C)C)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657470 804482032 /nfs/dbraw/zinc/48/20/32/804482032.db2.gz MJZIVLRXLKISDC-PMPSAXMXSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661404 804483955 /nfs/dbraw/zinc/48/39/55/804483955.db2.gz WVDJCPVWBIECKP-FPCVCCKLSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246661404 804483962 /nfs/dbraw/zinc/48/39/62/804483962.db2.gz WVDJCPVWBIECKP-FPCVCCKLSA-N 1 3 252.446 3.131 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@H+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670384 804489304 /nfs/dbraw/zinc/48/93/04/804489304.db2.gz BVTNIRARYJCVQV-HHUCQEJWSA-N 1 3 296.458 3.038 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@@H+]([C@@H]2C[C@H]4C[C@H]4C2)CC3)cc1 ZINC001246670384 804489307 /nfs/dbraw/zinc/48/93/07/804489307.db2.gz BVTNIRARYJCVQV-HHUCQEJWSA-N 1 3 296.458 3.038 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246685674 804495662 /nfs/dbraw/zinc/49/56/62/804495662.db2.gz ARVDUXZRRCEMLR-NXOAAHMSSA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246685674 804495667 /nfs/dbraw/zinc/49/56/67/804495667.db2.gz ARVDUXZRRCEMLR-NXOAAHMSSA-N 1 3 284.463 3.471 20 0 CGADHO CCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246689365 804497863 /nfs/dbraw/zinc/49/78/63/804497863.db2.gz JIWSQVDRWORHBQ-HRCADAONSA-N 1 3 270.436 3.369 20 0 CGADHO CCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246689365 804497869 /nfs/dbraw/zinc/49/78/69/804497869.db2.gz JIWSQVDRWORHBQ-HRCADAONSA-N 1 3 270.436 3.369 20 0 CGADHO Cc1ccc2c(c1)C1(CC2)CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC001246747227 804500808 /nfs/dbraw/zinc/50/08/08/804500808.db2.gz KTUVZWMRNDQKLX-SJLPKXTDSA-N 1 3 298.474 3.415 20 0 CGADHO C[C@@H]1CC([N@H+](C)CCCc2ccccc2)C[C@@H](C)N1 ZINC001246775988 804505970 /nfs/dbraw/zinc/50/59/70/804505970.db2.gz MARUKAPKNDAXHY-HUUCEWRRSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@@H]1CC([N@@H+](C)CCCc2ccccc2)C[C@@H](C)N1 ZINC001246775988 804505976 /nfs/dbraw/zinc/50/59/76/804505976.db2.gz MARUKAPKNDAXHY-HUUCEWRRSA-N 1 3 260.425 3.080 20 0 CGADHO C[C@@H]1CC(N(C)CCCc2ccccc2)C[C@@H](C)[NH2+]1 ZINC001246775988 804505982 /nfs/dbraw/zinc/50/59/82/804505982.db2.gz MARUKAPKNDAXHY-HUUCEWRRSA-N 1 3 260.425 3.080 20 0 CGADHO CCN([C@H](C)CSc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246797360 804520157 /nfs/dbraw/zinc/52/01/57/804520157.db2.gz OFYLYUNWQBWJRZ-CYBMUJFWSA-N 1 3 296.455 3.380 20 0 CGADHO CC[N@H+]([C@H](C)CSc1ccc(F)cc1)C1CCNCC1 ZINC001246797360 804520162 /nfs/dbraw/zinc/52/01/62/804520162.db2.gz OFYLYUNWQBWJRZ-CYBMUJFWSA-N 1 3 296.455 3.380 20 0 CGADHO CC[N@@H+]([C@H](C)CSc1ccc(F)cc1)C1CCNCC1 ZINC001246797360 804520168 /nfs/dbraw/zinc/52/01/68/804520168.db2.gz OFYLYUNWQBWJRZ-CYBMUJFWSA-N 1 3 296.455 3.380 20 0 CGADHO CCOc1ccc([C@@H]2CCCN2[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC001246822667 804537113 /nfs/dbraw/zinc/53/71/13/804537113.db2.gz MIZQSLDOJJEIQE-LESCRADOSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246822667 804537119 /nfs/dbraw/zinc/53/71/19/804537119.db2.gz MIZQSLDOJJEIQE-LESCRADOSA-N 1 3 288.435 3.363 20 0 CGADHO CCOc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246822667 804537124 /nfs/dbraw/zinc/53/71/24/804537124.db2.gz MIZQSLDOJJEIQE-LESCRADOSA-N 1 3 288.435 3.363 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829529 804540528 /nfs/dbraw/zinc/54/05/28/804540528.db2.gz KWSYJQJSDHIRTP-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC001246829529 804540530 /nfs/dbraw/zinc/54/05/30/804540530.db2.gz KWSYJQJSDHIRTP-CABCVRRESA-N 1 3 250.430 3.173 20 0 CGADHO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCNC3(CCCCC3)C2)C1 ZINC001246842808 804551028 /nfs/dbraw/zinc/55/10/28/804551028.db2.gz VPAUVIFKBKEIOS-BZUAXINKSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)N(C)C[C@H]1CCC[NH2+]C1 ZINC001246844607 804554509 /nfs/dbraw/zinc/55/45/09/804554509.db2.gz ZSWJPPWMFIQCPN-KBPBESRZSA-N 1 3 280.843 3.202 20 0 CGADHO C[N@H+](C[C@H]1CC1(C)C)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246847335 804556307 /nfs/dbraw/zinc/55/63/07/804556307.db2.gz TTZUCTXSVADMDL-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO C[N@@H+](C[C@H]1CC1(C)C)[C@@H]1CCNC2(CCCCC2)C1 ZINC001246847335 804556312 /nfs/dbraw/zinc/55/63/12/804556312.db2.gz TTZUCTXSVADMDL-HUUCEWRRSA-N 1 3 264.457 3.419 20 0 CGADHO C1[C@H]2CNCC[C@@H]2C[N@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848305 804558189 /nfs/dbraw/zinc/55/81/89/804558189.db2.gz UHNIDXUMLPQRTQ-ZACQAIPSSA-N 1 3 276.468 3.421 20 0 CGADHO C1[C@H]2CNCC[C@@H]2C[N@@H+]1[C@H]1CCCC2(CCCCC2)C1 ZINC001246848305 804558196 /nfs/dbraw/zinc/55/81/96/804558196.db2.gz UHNIDXUMLPQRTQ-ZACQAIPSSA-N 1 3 276.468 3.421 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850239 804559388 /nfs/dbraw/zinc/55/93/88/804559388.db2.gz INUPMCRATMKHEO-XPKDYRNWSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCN1 ZINC001246850239 804559394 /nfs/dbraw/zinc/55/93/94/804559394.db2.gz INUPMCRATMKHEO-XPKDYRNWSA-N 1 3 278.827 3.270 20 0 CGADHO C[C@@H]1C[C@@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)CC[NH2+]1 ZINC001246850239 804559399 /nfs/dbraw/zinc/55/93/99/804559399.db2.gz INUPMCRATMKHEO-XPKDYRNWSA-N 1 3 278.827 3.270 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854733 804564208 /nfs/dbraw/zinc/56/42/08/804564208.db2.gz RCWOOIYLLLTACP-KSZLIROESA-N 1 3 272.436 3.211 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(n2ccc3ccccc32)CC1 ZINC001246866375 804569363 /nfs/dbraw/zinc/56/93/63/804569363.db2.gz CBFIAUYZANPIJT-HNNXBMFYSA-N 1 3 285.435 3.276 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246869901 804572280 /nfs/dbraw/zinc/57/22/80/804572280.db2.gz XHBUVVHJWNJUBC-UKPHBRMFSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246869901 804572282 /nfs/dbraw/zinc/57/22/82/804572282.db2.gz XHBUVVHJWNJUBC-UKPHBRMFSA-N 1 3 258.409 3.136 20 0 CGADHO CC[C@@H]1c2ccccc2CCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246869901 804572284 /nfs/dbraw/zinc/57/22/84/804572284.db2.gz XHBUVVHJWNJUBC-UKPHBRMFSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H](Cc1ccco1)[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938537 804610580 /nfs/dbraw/zinc/61/05/80/804610580.db2.gz QCWKPRLRURCSPC-JKSUJKDBSA-N 1 3 290.451 3.455 20 0 CGADHO C[C@@H](Cc1ccco1)[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001246938537 804610584 /nfs/dbraw/zinc/61/05/84/804610584.db2.gz QCWKPRLRURCSPC-JKSUJKDBSA-N 1 3 290.451 3.455 20 0 CGADHO CCCCCC1CCC(N2CC[C@](F)(C[NH3+])C2)CC1 ZINC001246945918 804613711 /nfs/dbraw/zinc/61/37/11/804613711.db2.gz MLPXBARDLOSFMT-GPANFISMSA-N 1 3 270.436 3.498 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004336 804636046 /nfs/dbraw/zinc/63/60/46/804636046.db2.gz OYICGPJAGBBZQH-IAGOWNOFSA-N 1 3 290.426 3.363 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCN1 ZINC001247004336 804636049 /nfs/dbraw/zinc/63/60/49/804636049.db2.gz OYICGPJAGBBZQH-IAGOWNOFSA-N 1 3 290.426 3.363 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001247001786 804636149 /nfs/dbraw/zinc/63/61/49/804636149.db2.gz LFNOGNJVSJIVHA-ZMSDIMECSA-N 1 3 258.409 3.272 20 0 CGADHO Cc1ccccc1[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001247001786 804636151 /nfs/dbraw/zinc/63/61/51/804636151.db2.gz LFNOGNJVSJIVHA-ZMSDIMECSA-N 1 3 258.409 3.272 20 0 CGADHO CCC[N@H+](CCCN(C)C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480370 805158685 /nfs/dbraw/zinc/15/86/85/805158685.db2.gz PYWBPCBELYLUMZ-UHFFFAOYSA-N 1 3 279.472 3.476 20 0 CGADHO CCC[N@@H+](CCCN(C)C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480370 805158689 /nfs/dbraw/zinc/15/86/89/805158689.db2.gz PYWBPCBELYLUMZ-UHFFFAOYSA-N 1 3 279.472 3.476 20 0 CGADHO COc1cccc(C(C)(C)NC2CC[NH+](C(C)C)CC2)c1 ZINC001257212184 807063121 /nfs/dbraw/zinc/06/31/21/807063121.db2.gz WUNJDRXXKXMMGW-UHFFFAOYSA-N 1 3 290.451 3.393 20 0 CGADHO CCCCCC[C@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001257367413 807126567 /nfs/dbraw/zinc/12/65/67/807126567.db2.gz BXPOOOJKOMKOKV-SFHVURJKSA-N 1 3 295.515 3.059 20 0 CGADHO CC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001257442658 807158362 /nfs/dbraw/zinc/15/83/62/807158362.db2.gz GGPIAPXJSJYVOU-INIZCTEOSA-N 1 3 272.436 3.383 20 0 CGADHO CCCCC[C@H](C)[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001257520223 807193012 /nfs/dbraw/zinc/19/30/12/807193012.db2.gz ROKYFIGTVFCPGB-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCNc1c[nH]cc2ccnc1-2 ZINC001167753757 807244353 /nfs/dbraw/zinc/24/43/53/807244353.db2.gz QFMJPVCOHGNTIL-CYBMUJFWSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCNc1c[nH]cc2ccnc1-2 ZINC001167753757 807244355 /nfs/dbraw/zinc/24/43/55/807244355.db2.gz QFMJPVCOHGNTIL-CYBMUJFWSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1CCCNc1cncc2cc[nH]c21 ZINC001167753757 807244360 /nfs/dbraw/zinc/24/43/60/807244360.db2.gz QFMJPVCOHGNTIL-CYBMUJFWSA-N 1 3 272.396 3.239 20 0 CGADHO C[C@@H]1CCCC[N@H+]1CCCNc1cncc2cc[nH]c21 ZINC001167753757 807244364 /nfs/dbraw/zinc/24/43/64/807244364.db2.gz QFMJPVCOHGNTIL-CYBMUJFWSA-N 1 3 272.396 3.239 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N(C)Cc1cncs1 ZINC001167840098 807260142 /nfs/dbraw/zinc/26/01/42/807260142.db2.gz DTRHRPVVQTVWNL-CYBMUJFWSA-N 1 3 269.458 3.085 20 0 CGADHO CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC001258006030 807265458 /nfs/dbraw/zinc/26/54/58/807265458.db2.gz DAMLIWWHYREWPC-QZTJIDSGSA-N 1 3 290.426 3.392 20 0 CGADHO CC1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168040059 807302192 /nfs/dbraw/zinc/30/21/92/807302192.db2.gz KCBCRJFBACQHFO-ALXJQNPVSA-N 1 3 272.436 3.380 20 0 CGADHO CC1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168040059 807302200 /nfs/dbraw/zinc/30/22/00/807302200.db2.gz KCBCRJFBACQHFO-ALXJQNPVSA-N 1 3 272.436 3.380 20 0 CGADHO CC(C)=CCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258093316 807302531 /nfs/dbraw/zinc/30/25/31/807302531.db2.gz QFQGSQAEKCHJOI-XHSDSOJGSA-N 1 3 250.430 3.005 20 0 CGADHO CC(C)=CCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258093316 807302537 /nfs/dbraw/zinc/30/25/37/807302537.db2.gz QFQGSQAEKCHJOI-XHSDSOJGSA-N 1 3 250.430 3.005 20 0 CGADHO CC1CCC(N2CCC([N@H+](C)C3CCOCC3)CC2)CC1 ZINC001168220227 807353611 /nfs/dbraw/zinc/35/36/11/807353611.db2.gz UCDVMSLHPATWPG-UHFFFAOYSA-N 1 3 294.483 3.140 20 0 CGADHO CC1CCC(N2CCC([N@@H+](C)C3CCOCC3)CC2)CC1 ZINC001168220227 807353621 /nfs/dbraw/zinc/35/36/21/807353621.db2.gz UCDVMSLHPATWPG-UHFFFAOYSA-N 1 3 294.483 3.140 20 0 CGADHO CSCC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001258200272 807359218 /nfs/dbraw/zinc/35/92/18/807359218.db2.gz RMTUAWZXIQETRG-ZDUSSCGKSA-N 1 3 258.475 3.112 20 0 CGADHO CSCC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001258200272 807359226 /nfs/dbraw/zinc/35/92/26/807359226.db2.gz RMTUAWZXIQETRG-ZDUSSCGKSA-N 1 3 258.475 3.112 20 0 CGADHO CSCC[C@@H](C)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001258199950 807359894 /nfs/dbraw/zinc/35/98/94/807359894.db2.gz LSGYQRUJEYQOOH-GDBMZVCRSA-N 1 3 280.481 3.411 20 0 CGADHO C[C@H](CC1CC1)[NH+]1CCC(N2CCCCC2)CC1 ZINC001258458280 807462675 /nfs/dbraw/zinc/46/26/75/807462675.db2.gz RSJUQVIRGAQDCC-CQSZACIVSA-N 1 3 250.430 3.125 20 0 CGADHO C[C@H](CC1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC001258458280 807462679 /nfs/dbraw/zinc/46/26/79/807462679.db2.gz RSJUQVIRGAQDCC-CQSZACIVSA-N 1 3 250.430 3.125 20 0 CGADHO CCCC1CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001258532006 807487162 /nfs/dbraw/zinc/48/71/62/807487162.db2.gz KAYUJXIDCAZLCL-GMRIPVOYSA-N 1 3 264.457 3.229 20 0 CGADHO CCCC1CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001258532006 807487169 /nfs/dbraw/zinc/48/71/69/807487169.db2.gz KAYUJXIDCAZLCL-GMRIPVOYSA-N 1 3 264.457 3.229 20 0 CGADHO C[C@H](Cc1cccnc1)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC001258612649 807509181 /nfs/dbraw/zinc/50/91/81/807509181.db2.gz CYJQWMFWTGFGDV-VQIMIIECSA-N 1 3 297.446 3.295 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697508 807551554 /nfs/dbraw/zinc/55/15/54/807551554.db2.gz QUTFVZCAHJRCQE-WCVJEAGWSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC(C)(C)C1 ZINC001258697508 807551559 /nfs/dbraw/zinc/55/15/59/807551559.db2.gz QUTFVZCAHJRCQE-WCVJEAGWSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CC(C)(C)C1 ZINC001258702861 807557246 /nfs/dbraw/zinc/55/72/46/807557246.db2.gz DIPFJMQJHXBPSG-HUUCEWRRSA-N 1 3 264.457 3.229 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccccc1)C1CC1)C2 ZINC001169080376 807569234 /nfs/dbraw/zinc/56/92/34/807569234.db2.gz MWJQCKIWMWTBQQ-ZJPYXAASSA-N 1 3 270.420 3.353 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H](c1ccccc1)C1CC1)C2 ZINC001169080376 807569237 /nfs/dbraw/zinc/56/92/37/807569237.db2.gz MWJQCKIWMWTBQQ-ZJPYXAASSA-N 1 3 270.420 3.353 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1cc(F)cc(F)c1)C2 ZINC001169099612 807575593 /nfs/dbraw/zinc/57/55/93/807575593.db2.gz COOHJBQHJKHZJU-MUJYYYPQSA-N 1 3 294.389 3.415 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC001169107608 807578952 /nfs/dbraw/zinc/57/89/52/807578952.db2.gz IGJDLVUFFUPHSY-KYHPRHEASA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC001169107608 807578956 /nfs/dbraw/zinc/57/89/56/807578956.db2.gz IGJDLVUFFUPHSY-KYHPRHEASA-N 1 3 288.435 3.361 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3ccccc3)CCC1)C2 ZINC001169109175 807579109 /nfs/dbraw/zinc/57/91/09/807579109.db2.gz ZJNRHPMLKPLDJV-BJWYYQGGSA-N 1 3 270.420 3.281 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(c3ccccc3)CCC1)C2 ZINC001169109175 807579114 /nfs/dbraw/zinc/57/91/14/807579114.db2.gz ZJNRHPMLKPLDJV-BJWYYQGGSA-N 1 3 270.420 3.281 20 0 CGADHO CN(CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142622 807590967 /nfs/dbraw/zinc/59/09/67/807590967.db2.gz DRSKQWRIBOLRMO-BJWYYQGGSA-N 1 3 292.854 3.440 20 0 CGADHO CN(CCc1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142622 807590969 /nfs/dbraw/zinc/59/09/69/807590969.db2.gz DRSKQWRIBOLRMO-BJWYYQGGSA-N 1 3 292.854 3.440 20 0 CGADHO CCCN1CCC([NH2+]Cc2c(C)cc(F)cc2C)CC1 ZINC001258766548 807602910 /nfs/dbraw/zinc/60/29/10/807602910.db2.gz YAUFKDANSOIKCF-UHFFFAOYSA-N 1 3 278.415 3.407 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H](CC)Cc3ccccc3)C[C@@H]2C1 ZINC001258853058 807660637 /nfs/dbraw/zinc/66/06/37/807660637.db2.gz SQLARPSIHHZGFI-OTWHNJEPSA-N 1 3 286.463 3.281 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](CC)Cc3ccccc3)C[C@@H]2C1 ZINC001258853058 807660641 /nfs/dbraw/zinc/66/06/41/807660641.db2.gz SQLARPSIHHZGFI-OTWHNJEPSA-N 1 3 286.463 3.281 20 0 CGADHO c1coc(C[NH2+]C2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1 ZINC001261252231 807720990 /nfs/dbraw/zinc/72/09/90/807720990.db2.gz CTKNEWGSIWPNRF-JJTKIYQPSA-N 1 3 296.414 3.280 20 0 CGADHO COc1cccc(C2([NH3+])CCN([C@@H]3CC[C@@H](C)C3)CC2)c1 ZINC001170124588 807768354 /nfs/dbraw/zinc/76/83/54/807768354.db2.gz YBPZSJQXQLACGK-GDBMZVCRSA-N 1 3 288.435 3.134 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC001170198631 807793385 /nfs/dbraw/zinc/79/33/85/807793385.db2.gz ZLDRQUMKBQSQNZ-RDJZCZTQSA-N 1 3 282.472 3.187 20 0 CGADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOCC1 ZINC001170838659 807922397 /nfs/dbraw/zinc/92/23/97/807922397.db2.gz AUWPTQFMMYGAEK-MRXNPFEDSA-N 1 3 294.483 3.284 20 0 CGADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCCOCC1 ZINC001170838659 807922402 /nfs/dbraw/zinc/92/24/02/807922402.db2.gz AUWPTQFMMYGAEK-MRXNPFEDSA-N 1 3 294.483 3.284 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170903185 807929872 /nfs/dbraw/zinc/92/98/72/807929872.db2.gz UCDOWDKFHYYJMZ-HUUCEWRRSA-N 1 3 292.854 3.271 20 0 CGADHO Cc1cc2cc(NC[C@H]3CCCC[NH2+]3)ccc2cn1 ZINC001171341424 808031426 /nfs/dbraw/zinc/03/14/26/808031426.db2.gz XAIBXRGPOIVVDF-MRXNPFEDSA-N 1 3 255.365 3.097 20 0 CGADHO CC(C)N([C@@H]1CCc2c(F)cc(F)cc2C1)C(C)(C)C[NH3+] ZINC001171360928 808035445 /nfs/dbraw/zinc/03/54/45/808035445.db2.gz PLHGOTPLQNXFKF-CQSZACIVSA-N 1 3 296.405 3.270 20 0 CGADHO CN1C(C)(C)CC([NH2+]CCC2CCC2)CC1(C)C ZINC001171623260 808106200 /nfs/dbraw/zinc/10/62/00/808106200.db2.gz QRVQQSIVZLFHIW-UHFFFAOYSA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C1CCC1 ZINC001171629641 808108022 /nfs/dbraw/zinc/10/80/22/808108022.db2.gz AISFVNMPPJFGPR-GFCCVEGCSA-N 1 3 252.446 3.416 20 0 CGADHO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)nc1 ZINC001172105378 808176550 /nfs/dbraw/zinc/17/65/50/808176550.db2.gz HXJZOPYEELMTDS-JONQDZQNSA-N 1 3 273.424 3.056 20 0 CGADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccccc3F)CC1)C2 ZINC001172117817 808180240 /nfs/dbraw/zinc/18/02/40/808180240.db2.gz NHNNSICFBWAKFA-QKDCVEJESA-N 1 3 288.410 3.420 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1cccnc1)C1CC1)C2 ZINC001172119288 808184345 /nfs/dbraw/zinc/18/43/45/808184345.db2.gz YBFOOYKNNMYQEP-FJIDUMEYSA-N 1 3 285.435 3.138 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H](c1cccnc1)C1CC1)C2 ZINC001172119288 808184348 /nfs/dbraw/zinc/18/43/48/808184348.db2.gz YBFOOYKNNMYQEP-FJIDUMEYSA-N 1 3 285.435 3.138 20 0 CGADHO C[C@@H]1CC[C@@H]([NH+]2CCC(N(C)C3CC3)CC2)C[C@@H]1C ZINC001172375594 808269175 /nfs/dbraw/zinc/26/91/75/808269175.db2.gz DHOYMJMBWYOWTJ-JKIFEVAISA-N 1 3 264.457 3.370 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173041464 808498262 /nfs/dbraw/zinc/49/82/62/808498262.db2.gz APLRGTUGYDQTGM-DLBZAZTESA-N 1 3 294.483 3.188 20 0 CGADHO CCSC[C@H](C)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001173304206 808601454 /nfs/dbraw/zinc/60/14/54/808601454.db2.gz GBIGFKPMWGTHPX-JKSUJKDBSA-N 1 3 284.513 3.468 20 0 CGADHO CCSC[C@H](C)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001173304206 808601457 /nfs/dbraw/zinc/60/14/57/808601457.db2.gz GBIGFKPMWGTHPX-JKSUJKDBSA-N 1 3 284.513 3.468 20 0 CGADHO CCCC[C@@H](CC)CN1CC2(C1)CCC[N@H+](CCOC)C2 ZINC001274980344 808896921 /nfs/dbraw/zinc/89/69/21/808896921.db2.gz JKKHIKMXHNKKOM-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO CCCC[C@@H](CC)CN1CC2(C1)CCC[N@@H+](CCOC)C2 ZINC001274980344 808896927 /nfs/dbraw/zinc/89/69/27/808896927.db2.gz JKKHIKMXHNKKOM-QGZVFWFLSA-N 1 3 296.499 3.247 20 0 CGADHO FC(F)(F)CCCN1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001275137251 808915858 /nfs/dbraw/zinc/91/58/58/808915858.db2.gz VDMWWJPPJJTNCY-UHFFFAOYSA-N 1 3 290.373 3.137 20 0 CGADHO Cc1cc(CN2CCC3(CCC[N@@H+](C)C3)CC2)ccc1F ZINC001276230415 808994998 /nfs/dbraw/zinc/99/49/98/808994998.db2.gz ZMSBGLNFFYFDMV-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1cc(CN2CCC3(CCC[N@H+](C)C3)CC2)ccc1F ZINC001276230415 808995003 /nfs/dbraw/zinc/99/50/03/808995003.db2.gz ZMSBGLNFFYFDMV-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCc1c[nH]c3ccccc13)C2 ZINC001278166458 809117551 /nfs/dbraw/zinc/11/75/51/809117551.db2.gz GDWLTHUCPZDMAH-LJQANCHMSA-N 1 3 297.446 3.128 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCc1c[nH]c3ccccc13)C2 ZINC001278166458 809117553 /nfs/dbraw/zinc/11/75/53/809117553.db2.gz GDWLTHUCPZDMAH-LJQANCHMSA-N 1 3 297.446 3.128 20 0 CGADHO CN1CCC=C(Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001175575835 809458670 /nfs/dbraw/zinc/45/86/70/809458670.db2.gz BYMJILUOAAMKNV-UHFFFAOYSA-N 1 3 285.435 3.304 20 0 CGADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN(CC)C1 ZINC001177542251 809807251 /nfs/dbraw/zinc/80/72/51/809807251.db2.gz LOEMLIMGCHMCCQ-OAHLLOKOSA-N 1 3 260.425 3.071 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817671 809948814 /nfs/dbraw/zinc/94/88/14/809948814.db2.gz RHWREYAXVVBKSA-IMJJTQAJSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817671 809948816 /nfs/dbraw/zinc/94/88/16/809948816.db2.gz RHWREYAXVVBKSA-IMJJTQAJSA-N 1 3 286.444 3.331 20 0 CGADHO C[N@H+]1C[C@@H]2CC[C@H](NCc3cc4ccccc4s3)[C@@H]2C1 ZINC001179817671 809948821 /nfs/dbraw/zinc/94/88/21/809948821.db2.gz RHWREYAXVVBKSA-IMJJTQAJSA-N 1 3 286.444 3.331 20 0 CGADHO C[C@H](CC[NH2+]CCc1ccc(C(C)(C)C)cc1)N(C)C ZINC001183103809 810137380 /nfs/dbraw/zinc/13/73/80/810137380.db2.gz OJVOAQLDJBSMON-OAHLLOKOSA-N 1 3 276.468 3.456 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[C@H](C)N(C)C ZINC001183103325 810137500 /nfs/dbraw/zinc/13/75/00/810137500.db2.gz JFUHABJRSYPYLE-NEPJUHHUSA-N 1 3 286.822 3.340 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001184418389 810198438 /nfs/dbraw/zinc/19/84/38/810198438.db2.gz NNZKQFDPCXUJCG-BPUTZDHNSA-N 1 3 252.446 3.275 20 0 CGADHO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)CCN(CC)CC)C1 ZINC001184418924 810199046 /nfs/dbraw/zinc/19/90/46/810199046.db2.gz VDVFKPKAQUMRGR-OWCLPIDISA-N 1 3 270.461 3.044 20 0 CGADHO CC(C)CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201478495 811856020 /nfs/dbraw/zinc/85/60/20/811856020.db2.gz MYIPPBJMSUUDDX-ZWKOTPCHSA-N 1 3 272.436 3.096 20 0 CGADHO CC(C)CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201478495 811856032 /nfs/dbraw/zinc/85/60/32/811856032.db2.gz MYIPPBJMSUUDDX-ZWKOTPCHSA-N 1 3 272.436 3.096 20 0 CGADHO CC(C)CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626960 811924965 /nfs/dbraw/zinc/92/49/65/811924965.db2.gz QQDFQGSJWZVJJZ-MOPGFXCFSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201626960 811924969 /nfs/dbraw/zinc/92/49/69/811924969.db2.gz QQDFQGSJWZVJJZ-MOPGFXCFSA-N 1 3 286.463 3.486 20 0 CGADHO CCCC[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001201715380 811944299 /nfs/dbraw/zinc/94/42/99/811944299.db2.gz UZZSBPVZDXXAOA-UHFFFAOYSA-N 1 3 272.436 3.385 20 0 CGADHO CCCCCCN1CCN(CC[NH+](CCC)CCC)CC1 ZINC001201753870 811959643 /nfs/dbraw/zinc/95/96/43/811959643.db2.gz DHQUUFJBFZTHLY-UHFFFAOYSA-N 1 3 297.531 3.306 20 0 CGADHO Cc1ncc(Nc2ccc(C[NH+]3CCCC3)cc2)n1C ZINC001203795241 812463984 /nfs/dbraw/zinc/46/39/84/812463984.db2.gz CJRNWNDUWYZEAV-UHFFFAOYSA-N 1 3 270.380 3.068 20 0 CGADHO CCc1ccc(CN2CCC(C3CC[NH+](C)CC3)CC2)o1 ZINC001204393455 812628395 /nfs/dbraw/zinc/62/83/95/812628395.db2.gz XZBIYOAOHGBLRH-UHFFFAOYSA-N 1 3 290.451 3.396 20 0 CGADHO NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925437 812778113 /nfs/dbraw/zinc/77/81/13/812778113.db2.gz SLYLVXQADFIMRK-QGZVFWFLSA-N 1 3 281.403 3.062 20 0 CGADHO NC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC001204925437 812778118 /nfs/dbraw/zinc/77/81/18/812778118.db2.gz SLYLVXQADFIMRK-QGZVFWFLSA-N 1 3 281.403 3.062 20 0 CGADHO [NH3+][C@@H]1CCCN(Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001205110532 812872000 /nfs/dbraw/zinc/87/20/00/812872000.db2.gz VIMZXWDUAIVBAX-CYBMUJFWSA-N 1 3 277.799 3.135 20 0 CGADHO Cc1cc(OC(C)C)cc(C)c1CN1CCC[C@H]([NH3+])CC1 ZINC001205124556 812878711 /nfs/dbraw/zinc/87/87/11/812878711.db2.gz VEVKYOCDIKYTAT-INIZCTEOSA-N 1 3 290.451 3.404 20 0 CGADHO C[C@@H]1CC[N@H+](CCCCCc2ccccc2)C[C@@H]1CN ZINC001205295532 812936519 /nfs/dbraw/zinc/93/65/19/812936519.db2.gz ABERXPFSGWVHSB-AEFFLSMTSA-N 1 3 274.452 3.316 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCCCc2ccccc2)C[C@@H]1CN ZINC001205295532 812936523 /nfs/dbraw/zinc/93/65/23/812936523.db2.gz ABERXPFSGWVHSB-AEFFLSMTSA-N 1 3 274.452 3.316 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@H](C)[C@H](CN)C2)C1(C)C ZINC001205297140 812937319 /nfs/dbraw/zinc/93/73/19/812937319.db2.gz ZWGQXLTZAQUGMF-NUEKZKHPSA-N 1 3 264.457 3.286 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@H](C)[C@H](CN)C2)C1(C)C ZINC001205297140 812937322 /nfs/dbraw/zinc/93/73/22/812937322.db2.gz ZWGQXLTZAQUGMF-NUEKZKHPSA-N 1 3 264.457 3.286 20 0 CGADHO C[C@H]1CCN(Cc2ccc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC001205618499 813028340 /nfs/dbraw/zinc/02/83/40/813028340.db2.gz WQDTYBXMLYEDJL-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CCN(Cc2ccc(Cl)c(F)c2)CC[C@H]1C[NH3+] ZINC001205618510 813029046 /nfs/dbraw/zinc/02/90/46/813029046.db2.gz WSESOFOKIHAQCF-AAEUAGOBSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829967 813100806 /nfs/dbraw/zinc/10/08/06/813100806.db2.gz QDTXNFPZYLFIFA-SMDDNHRTSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001205829967 813100808 /nfs/dbraw/zinc/10/08/08/813100808.db2.gz QDTXNFPZYLFIFA-SMDDNHRTSA-N 1 3 268.351 3.183 20 0 CGADHO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cc(O)cc2ccccc21 ZINC001205913508 813129604 /nfs/dbraw/zinc/12/96/04/813129604.db2.gz IWXLSZCXHABANW-HIFRSBDPSA-N 1 3 284.403 3.105 20 0 CGADHO CC(C)c1cccc(CN2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205916095 813132523 /nfs/dbraw/zinc/13/25/23/813132523.db2.gz RTDOJPXYWJTNPA-PBHICJAKSA-N 1 3 260.425 3.369 20 0 CGADHO C[C@@H]1CN(Cc2ccc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205994324 813155525 /nfs/dbraw/zinc/15/55/25/813155525.db2.gz KUSGJBIKLRJGHM-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001205993088 813155860 /nfs/dbraw/zinc/15/58/60/813155860.db2.gz GXLQGDPXUYLIOJ-AAEUAGOBSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001205995896 813156942 /nfs/dbraw/zinc/15/69/42/813156942.db2.gz RPWXWMHTQVJPOI-DGCLKSJQSA-N 1 3 284.806 3.286 20 0 CGADHO CCCCOc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206163219 813220663 /nfs/dbraw/zinc/22/06/63/813220663.db2.gz ASGKQBZZZGFTAO-SJORKVTESA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1 ZINC001206163219 813220669 /nfs/dbraw/zinc/22/06/69/813220669.db2.gz ASGKQBZZZGFTAO-SJORKVTESA-N 1 3 294.414 3.127 20 0 CGADHO [NH3+][C@@H]1CCN(Cc2cc3ccccc3s2)CC[C@@H]1F ZINC001206163667 813221292 /nfs/dbraw/zinc/22/12/92/813221292.db2.gz DPVQBJRYKXWLTK-UONOGXRCSA-N 1 3 278.396 3.163 20 0 CGADHO [NH3+][C@H]1CCN(Cc2ccccc2-c2ccncc2)CC[C@H]1F ZINC001206198616 813236212 /nfs/dbraw/zinc/23/62/12/813236212.db2.gz MZNTYRKEGATVJX-MSOLQXFVSA-N 1 3 299.393 3.010 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206200148 813236740 /nfs/dbraw/zinc/23/67/40/813236740.db2.gz QROXYGFFFUUZPX-HZPDHXFCSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1 ZINC001206200148 813236744 /nfs/dbraw/zinc/23/67/44/813236744.db2.gz QROXYGFFFUUZPX-HZPDHXFCSA-N 1 3 294.414 3.125 20 0 CGADHO CC(C)N(CCc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206582066 813362852 /nfs/dbraw/zinc/36/28/52/813362852.db2.gz LQPOQYVXSVTTNT-INIZCTEOSA-N 1 3 278.415 3.221 20 0 CGADHO Cc1cc(F)cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206592233 813367144 /nfs/dbraw/zinc/36/71/44/813367144.db2.gz YZNFPZRXUGOPFB-QGZVFWFLSA-N 1 3 278.415 3.487 20 0 CGADHO NC[C@@H]1CCCC[N@H+](CCCCCc2ccccc2)C1 ZINC001206607131 813372836 /nfs/dbraw/zinc/37/28/36/813372836.db2.gz WJAPHLLPCOTLID-SFHVURJKSA-N 1 3 274.452 3.460 20 0 CGADHO NC[C@@H]1CCCC[N@@H+](CCCCCc2ccccc2)C1 ZINC001206607131 813372843 /nfs/dbraw/zinc/37/28/43/813372843.db2.gz WJAPHLLPCOTLID-SFHVURJKSA-N 1 3 274.452 3.460 20 0 CGADHO COc1cc2ccccc2cc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206641210 813384233 /nfs/dbraw/zinc/38/42/33/813384233.db2.gz ULUUJPFFOWYIGO-OAHLLOKOSA-N 1 3 298.430 3.409 20 0 CGADHO CCc1ccc(C[N@H+](C)CC(C)(C)CN(C)C)cc1 ZINC001207282031 813533719 /nfs/dbraw/zinc/53/37/19/813533719.db2.gz CYXJEFJYHQBCGN-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO CCc1ccc(C[N@@H+](C)CC(C)(C)CN(C)C)cc1 ZINC001207282031 813533723 /nfs/dbraw/zinc/53/37/23/813533723.db2.gz CYXJEFJYHQBCGN-UHFFFAOYSA-N 1 3 262.441 3.269 20 0 CGADHO C[NH+]1CCC(CN2CCC[C@@H]2c2cc(F)ccc2F)CC1 ZINC001207398220 813557368 /nfs/dbraw/zinc/55/73/68/813557368.db2.gz AIGGXNUQLAVYLW-QGZVFWFLSA-N 1 3 294.389 3.444 20 0 CGADHO Cc1cccc2c1CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001208108581 813694908 /nfs/dbraw/zinc/69/49/08/813694908.db2.gz WCSOKMRFWBIAGP-UHFFFAOYSA-N 1 3 258.409 3.043 20 0 CGADHO c1ccc(C[N@@H+]2C[C@H]3CN(CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687404 813796056 /nfs/dbraw/zinc/79/60/56/813796056.db2.gz CPVAKLQYIJGFOT-RTBURBONSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@H+]2C[C@H]3CN(CCC4CC4)CC[C@@H]3C2)cc1 ZINC001208687404 813796060 /nfs/dbraw/zinc/79/60/60/813796060.db2.gz CPVAKLQYIJGFOT-RTBURBONSA-N 1 3 284.447 3.240 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209407610 814015604 /nfs/dbraw/zinc/01/56/04/814015604.db2.gz MAFHMUUPBLEXKW-MRXNPFEDSA-N 1 3 282.472 3.142 20 0 CGADHO COC(C)(C)CC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209407610 814015611 /nfs/dbraw/zinc/01/56/11/814015611.db2.gz MAFHMUUPBLEXKW-MRXNPFEDSA-N 1 3 282.472 3.142 20 0 CGADHO C[NH+]1CCC(n2cc(Nc3ccnc(C4CC4)c3)cn2)CC1 ZINC001210754076 814613241 /nfs/dbraw/zinc/61/32/41/814613241.db2.gz WZCDMGSWCBMWEA-UHFFFAOYSA-N 1 3 297.406 3.166 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142201 816357414 /nfs/dbraw/zinc/35/74/14/816357414.db2.gz WSMMHRZWHUGQNY-DLBZAZTESA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001222142201 816357422 /nfs/dbraw/zinc/35/74/22/816357422.db2.gz WSMMHRZWHUGQNY-DLBZAZTESA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142203 816357978 /nfs/dbraw/zinc/35/79/78/816357978.db2.gz WSMMHRZWHUGQNY-IRXDYDNUSA-N 1 3 264.457 3.444 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222142203 816357983 /nfs/dbraw/zinc/35/79/83/816357983.db2.gz WSMMHRZWHUGQNY-IRXDYDNUSA-N 1 3 264.457 3.444 20 0 CGADHO c1c2cnccc2[nH]c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001232011199 818233822 /nfs/dbraw/zinc/23/38/22/818233822.db2.gz JANJPHWUNHMNQH-CHWSQXEVSA-N 1 3 255.365 3.185 20 0 CGADHO CN1CC[C@]2(CC[N@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614477 818398285 /nfs/dbraw/zinc/39/82/85/818398285.db2.gz GLOGQLORVPROLU-KRWDZBQOSA-N 1 3 286.444 3.429 20 0 CGADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc4ccsc4c3)C2)C1 ZINC001232614477 818398291 /nfs/dbraw/zinc/39/82/91/818398291.db2.gz GLOGQLORVPROLU-KRWDZBQOSA-N 1 3 286.444 3.429 20 0 CGADHO CCc1cccc(C)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001235001901 818973886 /nfs/dbraw/zinc/97/38/86/818973886.db2.gz WIHLRXHHSONOKX-SFHVURJKSA-N 1 3 272.436 3.133 20 0 CGADHO COC(C)(C)CCC[C@@H](C)CCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235239241 819044877 /nfs/dbraw/zinc/04/48/77/819044877.db2.gz GHBDZMNCQPERTL-JFIYKMOQSA-N 1 3 296.499 3.421 20 0 CGADHO c1ccc(C2(CN3CC[C@H]4[NH2+]CC[C@H]4C3)CCCC2)cc1 ZINC001235256287 819051823 /nfs/dbraw/zinc/05/18/23/819051823.db2.gz RJSLHWFGDFOIOR-FUHWJXTLSA-N 1 3 284.447 3.182 20 0 CGADHO CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235399274 819084200 /nfs/dbraw/zinc/08/42/00/819084200.db2.gz AELFDZKKIBFWDY-ARFHVFGLSA-N 1 3 270.436 3.226 20 0 CGADHO CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235399274 819084202 /nfs/dbraw/zinc/08/42/02/819084202.db2.gz AELFDZKKIBFWDY-ARFHVFGLSA-N 1 3 270.436 3.226 20 0 CGADHO CC(C)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235400627 819084434 /nfs/dbraw/zinc/08/44/34/819084434.db2.gz DPXLEVSKIXVAKI-ROUUACIJSA-N 1 3 290.426 3.334 20 0 CGADHO CC(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235400627 819084439 /nfs/dbraw/zinc/08/44/39/819084439.db2.gz DPXLEVSKIXVAKI-ROUUACIJSA-N 1 3 290.426 3.334 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)C1(C)C ZINC001235409782 819088238 /nfs/dbraw/zinc/08/82/38/819088238.db2.gz WVWFZRDEKSKDJR-JFIYKMOQSA-N 1 3 294.458 3.392 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)C1(C)C ZINC001235409782 819088243 /nfs/dbraw/zinc/08/82/43/819088243.db2.gz WVWFZRDEKSKDJR-JFIYKMOQSA-N 1 3 294.458 3.392 20 0 CGADHO CN(CCC[NH3+])Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001235435727 819100119 /nfs/dbraw/zinc/10/01/19/819100119.db2.gz WUHOBHZIYFOPNF-UHFFFAOYSA-N 1 3 290.357 3.412 20 0 CGADHO CC(C)Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235808299 819173068 /nfs/dbraw/zinc/17/30/68/819173068.db2.gz AHZDMBAJSGJLFE-BCDXTJNWSA-N 1 3 272.436 3.339 20 0 CGADHO Cc1ccc(CN(C)C[C@H]2CC[NH2+]C2)c2ccccc12 ZINC001235842811 819184862 /nfs/dbraw/zinc/18/48/62/819184862.db2.gz RRWGUXNKKURVBY-HNNXBMFYSA-N 1 3 268.404 3.190 20 0 CGADHO Fc1cccc2c(CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)cccc12 ZINC001235938613 819232027 /nfs/dbraw/zinc/23/20/27/819232027.db2.gz LOHLDMRDCINLPD-DZGCQCFKSA-N 1 3 284.378 3.020 20 0 CGADHO c1csc(-c2ccc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)c1 ZINC001235935451 819232605 /nfs/dbraw/zinc/23/26/05/819232605.db2.gz DQDSDGWRJWOCSO-SJORKVTESA-N 1 3 298.455 3.456 20 0 CGADHO CN(C[C@@H]1CCC[NH2+]C1)CC1(c2ccccc2)CCCC1 ZINC001235952059 819242179 /nfs/dbraw/zinc/24/21/79/819242179.db2.gz XMRNDSRAEASTSN-QGZVFWFLSA-N 1 3 286.463 3.430 20 0 CGADHO CC[C@H]1c2ccccc2CCN1Cc1ccc2n1CC[NH2+]C2 ZINC001236059404 819292950 /nfs/dbraw/zinc/29/29/50/819292950.db2.gz HJDPGGHMZDSBAE-IBGZPJMESA-N 1 3 295.430 3.101 20 0 CGADHO CCc1cccc(C)c1C[N@H+](C)[C@H]1CCCC[C@H]1N ZINC001236215366 819377824 /nfs/dbraw/zinc/37/78/24/819377824.db2.gz HMWGCCMTJSJEEN-SJORKVTESA-N 1 3 260.425 3.259 20 0 CGADHO CCc1cccc(C)c1C[N@@H+](C)[C@H]1CCCC[C@H]1N ZINC001236215366 819377832 /nfs/dbraw/zinc/37/78/32/819377832.db2.gz HMWGCCMTJSJEEN-SJORKVTESA-N 1 3 260.425 3.259 20 0 CGADHO Cc1cccc2[nH]cc(C[N@@H+](C)[C@H]3CCCC[C@@H]3N)c21 ZINC001236216561 819381365 /nfs/dbraw/zinc/38/13/65/819381365.db2.gz KBVITECBZAVCBM-HOCLYGCPSA-N 1 3 271.408 3.178 20 0 CGADHO Cc1cccc2[nH]cc(C[N@H+](C)[C@H]3CCCC[C@@H]3N)c21 ZINC001236216561 819381371 /nfs/dbraw/zinc/38/13/71/819381371.db2.gz KBVITECBZAVCBM-HOCLYGCPSA-N 1 3 271.408 3.178 20 0 CGADHO CCN(Cc1ccccc1C(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236409489 819456421 /nfs/dbraw/zinc/45/64/21/819456421.db2.gz VGKCKJOQRDZELY-OAHLLOKOSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)(C)CN(Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001236458666 819485680 /nfs/dbraw/zinc/48/56/80/819485680.db2.gz VJGZMSIFHGQOKY-UHFFFAOYSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)(C)C[N@H+](Cc1ccc(F)cc1)C1CCNCC1 ZINC001236458666 819485684 /nfs/dbraw/zinc/48/56/84/819485684.db2.gz VJGZMSIFHGQOKY-UHFFFAOYSA-N 1 3 278.415 3.426 20 0 CGADHO CC(C)(C)C[N@@H+](Cc1ccc(F)cc1)C1CCNCC1 ZINC001236458666 819485687 /nfs/dbraw/zinc/48/56/87/819485687.db2.gz VJGZMSIFHGQOKY-UHFFFAOYSA-N 1 3 278.415 3.426 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+](C[C@H]1C[C@@H]1C)C1CCNCC1 ZINC001236518105 819511486 /nfs/dbraw/zinc/51/14/86/819511486.db2.gz PMRQVKUUMSYJPS-XJKSGUPXSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1C[N@H+](C[C@H]1C[C@@H]1C)C1CCNCC1 ZINC001236518105 819511490 /nfs/dbraw/zinc/51/14/90/819511490.db2.gz PMRQVKUUMSYJPS-XJKSGUPXSA-N 1 3 290.426 3.344 20 0 CGADHO Cc1cc(F)ccc1CN(C[C@H]1C[C@@H]1C)C1CC[NH2+]CC1 ZINC001236518105 819511492 /nfs/dbraw/zinc/51/14/92/819511492.db2.gz PMRQVKUUMSYJPS-XJKSGUPXSA-N 1 3 290.426 3.344 20 0 CGADHO c1cc2c(cc1CN(C[C@H]1CCC[NH2+]C1)C1CC1)CCCN2 ZINC001236600003 819548459 /nfs/dbraw/zinc/54/84/59/819548459.db2.gz FKJTVRQDTWASTG-INIZCTEOSA-N 1 3 299.462 3.009 20 0 CGADHO CCc1cccc(C[N@H+](C2CCC2)C2CCNCC2)c1 ZINC001236636637 819556465 /nfs/dbraw/zinc/55/64/65/819556465.db2.gz GRPNTDVHFCHUIX-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCc1cccc(C[N@@H+](C2CCC2)C2CCNCC2)c1 ZINC001236636637 819556471 /nfs/dbraw/zinc/55/64/71/819556471.db2.gz GRPNTDVHFCHUIX-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCc1cccc(CN(C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236636637 819556475 /nfs/dbraw/zinc/55/64/75/819556475.db2.gz GRPNTDVHFCHUIX-UHFFFAOYSA-N 1 3 272.436 3.356 20 0 CGADHO CCCCOc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001236820300 819608364 /nfs/dbraw/zinc/60/83/64/819608364.db2.gz PVVAVMPBAQZIFV-JQHSSLGASA-N 1 3 288.435 3.035 20 0 CGADHO CCCN(Cc1ccc(C)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236834869 819615664 /nfs/dbraw/zinc/61/56/64/819615664.db2.gz JHWVHEGXVHDXNY-KRWDZBQOSA-N 1 3 260.425 3.125 20 0 CGADHO CCCN(Cc1cc(O)cc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236843201 819619280 /nfs/dbraw/zinc/61/92/80/819619280.db2.gz LPFMPBQTSFMIIE-OAHLLOKOSA-N 1 3 298.430 3.367 20 0 CGADHO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](N)C[C@H]3C)cc2)cc1 ZINC001237204789 819698269 /nfs/dbraw/zinc/69/82/69/819698269.db2.gz TUTOHOGWFWSQHN-KDOFPFPSSA-N 1 3 296.414 3.284 20 0 CGADHO COc1ccc(-c2ccc(C[N@H+]3C[C@@H](N)C[C@H]3C)cc2)cc1 ZINC001237204789 819698271 /nfs/dbraw/zinc/69/82/71/819698271.db2.gz TUTOHOGWFWSQHN-KDOFPFPSSA-N 1 3 296.414 3.284 20 0 CGADHO CC[C@H](N)C[NH+]1CCC(Cc2cnc3ccccc3c2)CC1 ZINC001237258409 819710010 /nfs/dbraw/zinc/71/00/10/819710010.db2.gz MGQJCWOZPFFHDN-SFHVURJKSA-N 1 3 297.446 3.227 20 0 CGADHO CCN(CCC[NH+](C)C)Cc1cccc2nccc(C)c12 ZINC001237635012 819793919 /nfs/dbraw/zinc/79/39/19/819793919.db2.gz FUNKOTUTLUGVOU-UHFFFAOYSA-N 1 3 285.435 3.317 20 0 CGADHO CC(C)c1cccc(-c2cc(N3CC[NH2+]CC3)ccn2)c1 ZINC001241738163 822115947 /nfs/dbraw/zinc/11/59/47/822115947.db2.gz LYDCJEQVYKQEIR-UHFFFAOYSA-N 1 3 281.403 3.282 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075947 936800545 /nfs/dbraw/zinc/80/05/45/936800545.db2.gz AXYKEWDVXCYBLR-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075947 936800547 /nfs/dbraw/zinc/80/05/47/936800547.db2.gz AXYKEWDVXCYBLR-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075947 936800550 /nfs/dbraw/zinc/80/05/50/936800550.db2.gz AXYKEWDVXCYBLR-HOTGVXAUSA-N 1 3 290.451 3.386 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]2C1 ZINC001352111917 937036850 /nfs/dbraw/zinc/03/68/50/937036850.db2.gz JLYVVZMMMIVCNE-XNRPHZJLSA-N 1 3 294.389 3.127 20 0 CGADHO C[C@H](CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCCCC1 ZINC001560750365 937237251 /nfs/dbraw/zinc/23/72/51/937237251.db2.gz ATRNRBAODNURSP-VQHPVUNQSA-N 1 3 264.457 3.277 20 0 CGADHO c1cc(N2CC[NH+](CC3CCC4(CC4)CC3)CC2)ccn1 ZINC001459768043 937499656 /nfs/dbraw/zinc/49/96/56/937499656.db2.gz HQJHZCXOLZJQKE-UHFFFAOYSA-N 1 3 285.435 3.174 20 0 CGADHO c1cc(N2CCN(CC3CCC4(CC4)CC3)CC2)cc[nH+]1 ZINC001459768043 937499657 /nfs/dbraw/zinc/49/96/57/937499657.db2.gz HQJHZCXOLZJQKE-UHFFFAOYSA-N 1 3 285.435 3.174 20 0 CGADHO C[C@H](C[NH2+]C1CCc2ccccc2CC1)CN1CCCC1 ZINC001461064974 937562308 /nfs/dbraw/zinc/56/23/08/937562308.db2.gz SXMPUWQKGDAHAF-MRXNPFEDSA-N 1 3 286.463 3.256 20 0 CGADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC001461123685 937565179 /nfs/dbraw/zinc/56/51/79/937565179.db2.gz YVRBRHXYOPKLDI-XHSDSOJGSA-N 1 3 252.446 3.134 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C4CCC4)CC3)[C@@H]2C1 ZINC001461829501 937600608 /nfs/dbraw/zinc/60/06/08/937600608.db2.gz LBHNUQLUJCGKEJ-PCNFGOCFSA-N 1 3 276.468 3.275 20 0 CGADHO C[C@H]1C[N@H+](CCC(C)(C)C)CCN1c1ccncc1 ZINC001308039559 933038370 /nfs/dbraw/zinc/03/83/70/933038370.db2.gz GBGCNERMGFXYON-AWEZNQCLSA-N 1 3 261.413 3.028 20 0 CGADHO C[C@H]1C[N@@H+](CCC(C)(C)C)CCN1c1ccncc1 ZINC001308039559 933038376 /nfs/dbraw/zinc/03/83/76/933038376.db2.gz GBGCNERMGFXYON-AWEZNQCLSA-N 1 3 261.413 3.028 20 0 CGADHO CC[C@@H](C[NH2+]C[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC001462633293 937655551 /nfs/dbraw/zinc/65/55/51/937655551.db2.gz GKVZHSKGAXHSAR-MAUKXSAKSA-N 1 3 272.436 3.112 20 0 CGADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001462670034 937658357 /nfs/dbraw/zinc/65/83/57/937658357.db2.gz PGORSIXYBOFRGR-YVECIDJPSA-N 1 3 278.362 3.037 20 0 CGADHO CCCc1ccc(C[NH2+]CC[C@H](C)N(C)C)s1 ZINC001308478733 933117049 /nfs/dbraw/zinc/11/70/49/933117049.db2.gz KYDBIXFLURROJW-LBPRGKRZSA-N 1 3 254.443 3.130 20 0 CGADHO Cc1cc(C)c(/C=C\CNC[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001308482009 933117576 /nfs/dbraw/zinc/11/75/76/933117576.db2.gz HAASMHIRHRPGRR-AFCDSYGPSA-N 1 3 272.436 3.309 20 0 CGADHO Cc1cc(C)c(/C=C\CNC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001308482009 933117579 /nfs/dbraw/zinc/11/75/79/933117579.db2.gz HAASMHIRHRPGRR-AFCDSYGPSA-N 1 3 272.436 3.309 20 0 CGADHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)C[C@H](C)C(C)(C)C ZINC001308741719 933168676 /nfs/dbraw/zinc/16/86/76/933168676.db2.gz XBDHAQAGWKFNCU-DLBZAZTESA-N 1 3 297.531 3.017 20 0 CGADHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)C[C@H](C)C(C)(C)C ZINC001308741719 933168679 /nfs/dbraw/zinc/16/86/79/933168679.db2.gz XBDHAQAGWKFNCU-DLBZAZTESA-N 1 3 297.531 3.017 20 0 CGADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308983459 933221666 /nfs/dbraw/zinc/22/16/66/933221666.db2.gz DSHRVTSUNMJJTN-ARKGTOAJSA-N 1 3 252.446 3.131 20 0 CGADHO CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(CC)C1 ZINC001319190901 933839519 /nfs/dbraw/zinc/83/95/19/933839519.db2.gz UFVUUXNKUGIVAH-JKSUJKDBSA-N 1 3 290.451 3.468 20 0 CGADHO C(C1CC2(CCC2)C1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001473173646 937796133 /nfs/dbraw/zinc/79/61/33/937796133.db2.gz MEUKRRIENQYQBJ-INIZCTEOSA-N 1 3 276.468 3.375 20 0 CGADHO C(C1CC2(CCC2)C1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001473173646 937796134 /nfs/dbraw/zinc/79/61/34/937796134.db2.gz MEUKRRIENQYQBJ-INIZCTEOSA-N 1 3 276.468 3.375 20 0 CGADHO Cc1csc(CCCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC001327838895 935089120 /nfs/dbraw/zinc/08/91/20/935089120.db2.gz IRQBAHHOXDIVEY-HIFRSBDPSA-N 1 3 295.496 3.285 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)c2sccc2C)C1 ZINC001333419749 935534731 /nfs/dbraw/zinc/53/47/31/935534731.db2.gz AXVDKBUFQFLBIW-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@H](C)c2sccc2C)C1 ZINC001333419749 935534736 /nfs/dbraw/zinc/53/47/36/935534736.db2.gz AXVDKBUFQFLBIW-ZIAGYGMSSA-N 1 3 266.454 3.439 20 0 CGADHO CC(C)C1(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC001474313662 937850447 /nfs/dbraw/zinc/85/04/47/937850447.db2.gz CXEUUXDRJOGNEU-MRXNPFEDSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)C1(C[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC001474313662 937850448 /nfs/dbraw/zinc/85/04/48/937850448.db2.gz CXEUUXDRJOGNEU-MRXNPFEDSA-N 1 3 264.457 3.230 20 0 CGADHO Cc1ccc(CC[NH2+]CC(C)(C)CN2CCCC2)cc1 ZINC001474498649 937863388 /nfs/dbraw/zinc/86/33/88/937863388.db2.gz VCTBJXLOCBCWEV-UHFFFAOYSA-N 1 3 274.452 3.249 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC001549548328 938158102 /nfs/dbraw/zinc/15/81/02/938158102.db2.gz VSSCMRAMPIZSRW-VSZNYVQBSA-N 1 3 284.447 3.395 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC001549548328 938158103 /nfs/dbraw/zinc/15/81/03/938158103.db2.gz VSSCMRAMPIZSRW-VSZNYVQBSA-N 1 3 284.447 3.395 20 0 CGADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC(c3ccc(F)cc3)C1)[NH2+]2 ZINC001550473955 938166718 /nfs/dbraw/zinc/16/67/18/938166718.db2.gz XHGZAMUEMATOBD-BLONPCRPSA-N 1 3 288.410 3.190 20 0 CGADHO C1[C@H]2CCCC[C@H]2[C@H]1[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC001550475017 938166793 /nfs/dbraw/zinc/16/67/93/938166793.db2.gz PJHSDKRTGFITOQ-DZVNLGKHSA-N 1 3 276.468 3.323 20 0 CGADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412694 938191841 /nfs/dbraw/zinc/19/18/41/938191841.db2.gz UOKDTZUGVGSBCC-RYRKJORJSA-N 1 3 272.436 3.241 20 0 CGADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552412694 938191842 /nfs/dbraw/zinc/19/18/42/938191842.db2.gz UOKDTZUGVGSBCC-RYRKJORJSA-N 1 3 272.436 3.241 20 0 CGADHO CC(C)OC1CCC([NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)CC1 ZINC001553027121 938196043 /nfs/dbraw/zinc/19/60/43/938196043.db2.gz VWFFJSJUDNSAMN-SWHNLWLKSA-N 1 3 294.483 3.089 20 0 CGADHO COc1ccccc1/C=C\C[NH2+]C1CCN(C(C)C)CC1 ZINC001560254115 938249433 /nfs/dbraw/zinc/24/94/33/938249433.db2.gz BDPDUHWZUUAWCR-VURMDHGXSA-N 1 3 288.435 3.171 20 0 CGADHO CCCc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC001560533989 938261967 /nfs/dbraw/zinc/26/19/67/938261967.db2.gz KTZRMIYWQMGQML-GOSISDBHSA-N 1 3 274.452 3.461 20 0 CGADHO CC(C)(CC[N@@H+]1CC[C@@]2(C1)CCCCN2)C1CC1 ZINC001575305546 960468859 /nfs/dbraw/zinc/46/88/59/960468859.db2.gz YCSNACIDZMRUCO-MRXNPFEDSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(CC[N@H+]1CC[C@@]2(C1)CCCCN2)C1CC1 ZINC001575305546 960468869 /nfs/dbraw/zinc/46/88/69/960468869.db2.gz YCSNACIDZMRUCO-MRXNPFEDSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(N)c1cc(C[N@@H+]2CCC[C@H](C3CCCC3)C2)on1 ZINC001575365236 962362491 /nfs/dbraw/zinc/36/24/91/962362491.db2.gz GVVPZFKBUJJENT-AWEZNQCLSA-N 1 3 291.439 3.271 20 0 CGADHO CC(C)(N)c1cc(C[N@H+]2CCC[C@H](C3CCCC3)C2)on1 ZINC001575365236 962362507 /nfs/dbraw/zinc/36/25/07/962362507.db2.gz GVVPZFKBUJJENT-AWEZNQCLSA-N 1 3 291.439 3.271 20 0 CGADHO CC(C)([NH3+])c1cc(CN2CCC[C@H](C3CCCC3)C2)on1 ZINC001575365236 962362529 /nfs/dbraw/zinc/36/25/29/962362529.db2.gz GVVPZFKBUJJENT-AWEZNQCLSA-N 1 3 291.439 3.271 20 0 CGADHO CC(C)CCC[C@@H](C)[NH2+]Cc1nc2c(s1)CNCC2 ZINC001575566498 962402179 /nfs/dbraw/zinc/40/21/79/962402179.db2.gz XFFYKQGXNBCMCW-GFCCVEGCSA-N 1 3 281.469 3.093 20 0 CGADHO CC1(C)CN(CCCC2CC[NH2+]CC2)[C@H]1c1cccnc1 ZINC001576457817 962464610 /nfs/dbraw/zinc/46/46/10/962464610.db2.gz OXWGTVRUDKMYQP-KRWDZBQOSA-N 1 3 287.451 3.244 20 0 CGADHO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(C(C)(C)N)no1 ZINC001577255709 962519324 /nfs/dbraw/zinc/51/93/24/962519324.db2.gz ZTLHERSIOKBUTC-GFCCVEGCSA-N 1 3 265.401 3.023 20 0 CGADHO CC[C@@H]1CCCCC[N@H+]1Cc1cc(C(C)(C)N)no1 ZINC001577255709 962519330 /nfs/dbraw/zinc/51/93/30/962519330.db2.gz ZTLHERSIOKBUTC-GFCCVEGCSA-N 1 3 265.401 3.023 20 0 CGADHO CCCC(CCC)[NH2+][C@@H]1[C@H]2CCCN[C@@H]2C1(C)C ZINC001577352587 962526635 /nfs/dbraw/zinc/52/66/35/962526635.db2.gz ATCPUDOUPBILSW-SOUVJXGZSA-N 1 3 252.446 3.321 20 0 CGADHO CCN(Cc1ccc(Cl)cc1)C[C@H](C[NH3+])C(C)C ZINC001577737218 962563333 /nfs/dbraw/zinc/56/33/33/962563333.db2.gz XUWCCJVSVZSSRA-AWEZNQCLSA-N 1 3 268.832 3.393 20 0 CGADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087652 962563676 /nfs/dbraw/zinc/56/36/76/962563676.db2.gz PQJRWSQBWGKLFW-OWCLPIDISA-N 1 3 296.499 3.420 20 0 CGADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](N)CCC(C)(C)C)C12CCC2 ZINC001578087652 962563684 /nfs/dbraw/zinc/56/36/84/962563684.db2.gz PQJRWSQBWGKLFW-OWCLPIDISA-N 1 3 296.499 3.420 20 0 CGADHO CCOc1cccc(Cl)c1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001578194124 962573612 /nfs/dbraw/zinc/57/36/12/962573612.db2.gz IRQGNWCREVXLAJ-CHWSQXEVSA-N 1 3 296.842 3.155 20 0 CGADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H](N)CC(F)(F)F ZINC001579754880 962672863 /nfs/dbraw/zinc/67/28/63/962672863.db2.gz LRYILHMPARZFOQ-LBPRGKRZSA-N 1 3 274.330 3.015 20 0 CGADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](N)CC(F)(F)F ZINC001579754880 962672876 /nfs/dbraw/zinc/67/28/76/962672876.db2.gz LRYILHMPARZFOQ-LBPRGKRZSA-N 1 3 274.330 3.015 20 0 CGADHO Cc1sccc1CNCC[C@@H]([NH3+])Cc1ccccc1 ZINC001579937500 962682411 /nfs/dbraw/zinc/68/24/11/962682411.db2.gz VXCVGFLVXXBSCM-MRXNPFEDSA-N 1 3 274.433 3.106 20 0 CGADHO CC(C)[NH+](CCCN[C@H]1CCC12CCC2)C(C)C ZINC000337489105 214115018 /nfs/dbraw/zinc/11/50/18/214115018.db2.gz UZPIVKSEWQQQBU-HNNXBMFYSA-N 1 3 252.446 3.418 20 0 CGADHO Cc1cc([C@H](C)NCCCCC[NH+]2CCCCC2)nn1C ZINC000337518473 214133915 /nfs/dbraw/zinc/13/39/15/214133915.db2.gz NSOSCYBHOOTIMA-INIZCTEOSA-N 1 3 292.471 3.035 20 0 CGADHO N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784057 349586005 /nfs/dbraw/zinc/58/60/05/349586005.db2.gz JAKGDHXLGATLDG-UVBJJODRSA-N 1 3 276.811 3.141 20 0 CGADHO N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000621784057 349586008 /nfs/dbraw/zinc/58/60/08/349586008.db2.gz JAKGDHXLGATLDG-UVBJJODRSA-N 1 3 276.811 3.141 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000622045723 349623444 /nfs/dbraw/zinc/62/34/44/349623444.db2.gz RGLJSLLDLBSEPE-DIECFANBSA-N 1 3 260.425 3.286 20 0 CGADHO CCc1ccc([C@H](C)NCCC2CC[NH+](C)CC2)o1 ZINC000125490203 187187856 /nfs/dbraw/zinc/18/78/56/187187856.db2.gz JZINDMMQMKXVFJ-ZDUSSCGKSA-N 1 3 264.413 3.225 20 0 CGADHO CC[C@H](OCCNC1CC[NH+](CC)CC1)c1ccccc1 ZINC000651908575 398304447 /nfs/dbraw/zinc/30/44/47/398304447.db2.gz IORLFRXVBKDSKK-SFHVURJKSA-N 1 3 290.451 3.228 20 0 CGADHO CC[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423256914 529606309 /nfs/dbraw/zinc/60/63/09/529606309.db2.gz GPIUTRYCHCBQRH-WBMJQRKESA-N 1 3 282.378 3.395 20 0 CGADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(Br)c1 ZINC000423315891 529611178 /nfs/dbraw/zinc/61/11/78/529611178.db2.gz JGEAOXAZZLCGMD-KGLIPLIRSA-N 1 3 297.240 3.227 20 0 CGADHO CC[C@H](NCc1cc(C2CC[NH2+]CC2)no1)C(C)(C)C ZINC000424369172 529623777 /nfs/dbraw/zinc/62/37/77/529623777.db2.gz CICFLMQGCAONPR-HNNXBMFYSA-N 1 3 279.428 3.056 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)[C@H]1C[C@H]1C ZINC000414060253 529628953 /nfs/dbraw/zinc/62/89/53/529628953.db2.gz ATLWJIUIDCOKGT-JLSDUUJJSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)[C@@H]1C[C@H]1C ZINC000414065600 529631349 /nfs/dbraw/zinc/63/13/49/529631349.db2.gz HEPBWTJUPLLDGA-OLMNPRSZSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH2+]Cc1ccccc1OCCN(C)C)[C@@H]1C[C@@H]1C ZINC000414081522 529631821 /nfs/dbraw/zinc/63/18/21/529631821.db2.gz UIFPWABXFLTUSQ-UAGQMJEPSA-N 1 3 290.451 3.151 20 0 CGADHO C[N@@H+]1CC[C@H](NCCc2ccc(Cl)s2)CC1(C)C ZINC000623360641 349789041 /nfs/dbraw/zinc/78/90/41/349789041.db2.gz RZTDBKXDHKNGBR-NSHDSACASA-N 1 3 286.872 3.406 20 0 CGADHO C[N@H+]1CC[C@H](NCCc2ccc(Cl)s2)CC1(C)C ZINC000623360641 349789045 /nfs/dbraw/zinc/78/90/45/349789045.db2.gz RZTDBKXDHKNGBR-NSHDSACASA-N 1 3 286.872 3.406 20 0 CGADHO Cc1cccc(OC[C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623372260 349792373 /nfs/dbraw/zinc/79/23/73/349792373.db2.gz MCGMIISPTKKMJI-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO Cc1cccc(OC[C@H](C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372260 349792376 /nfs/dbraw/zinc/79/23/76/349792376.db2.gz MCGMIISPTKKMJI-JKSUJKDBSA-N 1 3 290.451 3.225 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623384764 349795879 /nfs/dbraw/zinc/79/58/79/349795879.db2.gz ISECSAVBPBACQR-CQSZACIVSA-N 1 3 296.842 3.170 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCc2ccccc2Cl)CC1(C)C ZINC000623383461 349795014 /nfs/dbraw/zinc/79/50/14/349795014.db2.gz VNOAAJPUCZFJFT-CQSZACIVSA-N 1 3 280.843 3.345 20 0 CGADHO C[N@H+]1CC[C@@H](NCCc2ccccc2Cl)CC1(C)C ZINC000623383461 349795017 /nfs/dbraw/zinc/79/50/17/349795017.db2.gz VNOAAJPUCZFJFT-CQSZACIVSA-N 1 3 280.843 3.345 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCc2ccc3ccccc3n2)CC1(C)C ZINC000623383945 349795411 /nfs/dbraw/zinc/79/54/11/349795411.db2.gz IKHXEQJGSKGEQP-QGZVFWFLSA-N 1 3 297.446 3.240 20 0 CGADHO C[N@H+]1CC[C@@H](NCCc2ccc3ccccc3n2)CC1(C)C ZINC000623383945 349795415 /nfs/dbraw/zinc/79/54/15/349795415.db2.gz IKHXEQJGSKGEQP-QGZVFWFLSA-N 1 3 297.446 3.240 20 0 CGADHO CN1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000623394431 349798037 /nfs/dbraw/zinc/79/80/37/349798037.db2.gz FKYNVGHEHGCTMU-GFCCVEGCSA-N 1 3 284.806 3.442 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623575324 349840083 /nfs/dbraw/zinc/84/00/83/349840083.db2.gz VNXRBQOFMOZAPY-IKICRFKJSA-N 1 3 276.468 3.133 20 0 CGADHO CCc1cccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623657638 349859695 /nfs/dbraw/zinc/85/96/95/349859695.db2.gz VUHKIDJAFOCXRF-QGZVFWFLSA-N 1 3 260.425 3.071 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H](C)[C@@H]1CCCCO1 ZINC000623886124 349905652 /nfs/dbraw/zinc/90/56/52/349905652.db2.gz SWCRTOVRRPRSFM-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000351590788 219138543 /nfs/dbraw/zinc/13/85/43/219138543.db2.gz YXJORWJGJHJZGS-CYBMUJFWSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000351590788 219138545 /nfs/dbraw/zinc/13/85/45/219138545.db2.gz YXJORWJGJHJZGS-CYBMUJFWSA-N 1 3 284.806 3.253 20 0 CGADHO Cc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000351603080 219141534 /nfs/dbraw/zinc/14/15/34/219141534.db2.gz RFLGPPQPURQZAG-KRWDZBQOSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000351603080 219141537 /nfs/dbraw/zinc/14/15/37/219141537.db2.gz RFLGPPQPURQZAG-KRWDZBQOSA-N 1 3 260.425 3.077 20 0 CGADHO C[NH+]1CCC(C)(CNCc2cc3cc(F)ccc3o2)CC1 ZINC000355784456 530048488 /nfs/dbraw/zinc/04/84/88/530048488.db2.gz ZWJAAYRSWJUBTF-UHFFFAOYSA-N 1 3 290.382 3.393 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4ccoc43)C2)C1 ZINC000449343043 530059736 /nfs/dbraw/zinc/05/97/36/530059736.db2.gz HGSHPNLMQFEUDT-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc4ccoc43)C2)C1 ZINC000449343043 530059737 /nfs/dbraw/zinc/05/97/37/530059737.db2.gz HGSHPNLMQFEUDT-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2cccc3ccccc32)C1 ZINC000044535789 345013422 /nfs/dbraw/zinc/01/34/22/345013422.db2.gz OKFRTKJFWMOCMY-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2cccc3ccccc32)C1 ZINC000044535789 345013425 /nfs/dbraw/zinc/01/34/25/345013425.db2.gz OKFRTKJFWMOCMY-HNNXBMFYSA-N 1 3 268.404 3.271 20 0 CGADHO Cc1cc(NCC2([NH+](C)C)CCOCC2)c2ccccc2n1 ZINC000072947433 345424427 /nfs/dbraw/zinc/42/44/27/345424427.db2.gz PNLQKXCSOZXFJY-UHFFFAOYSA-N 1 3 299.418 3.066 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156165976 232226339 /nfs/dbraw/zinc/22/63/39/232226339.db2.gz PMPWWEDNFZUPIF-YWPYICTPSA-N 1 3 266.816 3.473 20 0 CGADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000156165976 232226341 /nfs/dbraw/zinc/22/63/41/232226341.db2.gz PMPWWEDNFZUPIF-YWPYICTPSA-N 1 3 266.816 3.473 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1cccnc1 ZINC000091288457 345809723 /nfs/dbraw/zinc/80/97/23/345809723.db2.gz JJKVFGOFYWQOEW-AEFFLSMTSA-N 1 3 289.467 3.490 20 0 CGADHO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccnc1 ZINC000091367786 345812119 /nfs/dbraw/zinc/81/21/19/345812119.db2.gz XTOVTXLRRXHTPV-ULQDDVLXSA-N 1 3 275.440 3.241 20 0 CGADHO CCc1ncc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000093688331 345885013 /nfs/dbraw/zinc/88/50/13/345885013.db2.gz XOSODAUHBXVBHZ-UHFFFAOYSA-N 1 3 295.496 3.259 20 0 CGADHO C[C@H](c1cccc2ccccc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119959 345939934 /nfs/dbraw/zinc/93/99/34/345939934.db2.gz IFXHWACCFBICPY-BMFZPTHFSA-N 1 3 266.388 3.052 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C2CCCCC2)C1 ZINC000250495889 346385597 /nfs/dbraw/zinc/38/55/97/346385597.db2.gz IYQOCJPPJLFYOW-CABCVRRESA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000584775072 346713742 /nfs/dbraw/zinc/71/37/42/346713742.db2.gz ZEYZITPBNQGTFT-HIFRSBDPSA-N 1 3 264.413 3.031 20 0 CGADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120760 349978877 /nfs/dbraw/zinc/97/88/77/349978877.db2.gz GJVTVSSARBGRQG-JKSUJKDBSA-N 1 3 292.442 3.468 20 0 CGADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120838 349978354 /nfs/dbraw/zinc/97/83/54/349978354.db2.gz ICPCGCTWZYLJJO-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120699 349978589 /nfs/dbraw/zinc/97/85/89/349978589.db2.gz FIYFIXCUQHBGJA-RDJZCZTQSA-N 1 3 292.442 3.468 20 0 CGADHO CN1CCCC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000624123154 349981925 /nfs/dbraw/zinc/98/19/25/349981925.db2.gz GTPKSOTWXSKGNP-CQSZACIVSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCCCOc2ccccc2)C1 ZINC000339407547 215153451 /nfs/dbraw/zinc/15/34/51/215153451.db2.gz OYJDZWJSFJCAFE-IAGOWNOFSA-N 1 3 290.451 3.295 20 0 CGADHO CN(CCCCCOc1ccccc1)CC(C)(C)C[NH3+] ZINC000339410285 215155739 /nfs/dbraw/zinc/15/57/39/215155739.db2.gz QPOCRZCWKSAEFT-UHFFFAOYSA-N 1 3 278.440 3.152 20 0 CGADHO CCCc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000608061443 348280631 /nfs/dbraw/zinc/28/06/31/348280631.db2.gz CISJOXBPRQTYEN-PBHICJAKSA-N 1 3 260.425 3.211 20 0 CGADHO CCCc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000608061443 348280633 /nfs/dbraw/zinc/28/06/33/348280633.db2.gz CISJOXBPRQTYEN-PBHICJAKSA-N 1 3 260.425 3.211 20 0 CGADHO C[C@@H](CCC1CC1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357864226 233019423 /nfs/dbraw/zinc/01/94/23/233019423.db2.gz ZHKIJRGJLSVUMP-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO C/C=C/CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000624198884 349999951 /nfs/dbraw/zinc/99/99/51/349999951.db2.gz AWGXFNRBAGSVSL-CWDCEQMOSA-N 1 3 272.436 3.248 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([N@H+](C)C[C@H]2C[C@H]2C)CC1 ZINC000625271012 350150881 /nfs/dbraw/zinc/15/08/81/350150881.db2.gz UPNBVXMQXSJIBS-HHARLNAUSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([N@@H+](C)C[C@H]2C[C@H]2C)CC1 ZINC000625271012 350150882 /nfs/dbraw/zinc/15/08/82/350150882.db2.gz UPNBVXMQXSJIBS-HHARLNAUSA-N 1 3 264.457 3.085 20 0 CGADHO c1ncc(C[NH+](C2CC2)C2CC2)cc1CN(C1CC1)C1CC1 ZINC000625841218 350219173 /nfs/dbraw/zinc/21/91/73/350219173.db2.gz JKEQGRUUPFJDMF-UHFFFAOYSA-N 1 3 297.446 3.335 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H]1COC(C)(C)C1 ZINC000626063996 350255511 /nfs/dbraw/zinc/25/55/11/350255511.db2.gz YLHVHFPVMHOGFA-KRWDZBQOSA-N 1 3 290.451 3.138 20 0 CGADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)[C@@H]1COC(C)(C)C1 ZINC000626063996 350255514 /nfs/dbraw/zinc/25/55/14/350255514.db2.gz YLHVHFPVMHOGFA-KRWDZBQOSA-N 1 3 290.451 3.138 20 0 CGADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)[C@@H]1COC(C)(C)C1 ZINC000626063996 350255518 /nfs/dbraw/zinc/25/55/18/350255518.db2.gz YLHVHFPVMHOGFA-KRWDZBQOSA-N 1 3 290.451 3.138 20 0 CGADHO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000628170275 350421732 /nfs/dbraw/zinc/42/17/32/350421732.db2.gz VSGJKWJYXFYXJS-DLBZAZTESA-N 1 3 296.499 3.245 20 0 CGADHO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628295154 350483237 /nfs/dbraw/zinc/48/32/37/350483237.db2.gz DCCLEIDQKQDECU-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO C[N@H+]1CCC[C@]2(CCN(Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628295154 350483242 /nfs/dbraw/zinc/48/32/42/350483242.db2.gz DCCLEIDQKQDECU-SFHVURJKSA-N 1 3 283.419 3.086 20 0 CGADHO C[NH2+]CCOCCN[C@H](C)c1ccc(SC(C)C)cc1 ZINC000629528766 350703017 /nfs/dbraw/zinc/70/30/17/350703017.db2.gz IVFQKUVCHPYRJS-CQSZACIVSA-N 1 3 296.480 3.074 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000629531349 350703743 /nfs/dbraw/zinc/70/37/43/350703743.db2.gz ICPRRSAIWHAERM-TVFCKZIOSA-N 1 3 296.499 3.481 20 0 CGADHO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN2)CC1 ZINC000629531375 350704035 /nfs/dbraw/zinc/70/40/35/350704035.db2.gz ITYFAWLHEDLUQK-QBPKDAKJSA-N 1 3 282.472 3.090 20 0 CGADHO C[C@@H]1CCCN(Cc2cc(O)ccc2Cl)[C@@H]1CCC[NH3+] ZINC000629550150 350710943 /nfs/dbraw/zinc/71/09/43/350710943.db2.gz YNYOTLQXRJMZDY-MLGOLLRUSA-N 1 3 296.842 3.385 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629549868 350710949 /nfs/dbraw/zinc/71/09/49/350710949.db2.gz JBCWIIHQSXIUQN-NWDGAFQWSA-N 1 3 278.362 3.216 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C1 ZINC000629556175 350712951 /nfs/dbraw/zinc/71/29/51/350712951.db2.gz MAAHOMNRDJIMBO-OLZOCXBDSA-N 1 3 291.826 3.223 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cnc3ccc(C)cc3c2)CC1 ZINC000629513835 350699627 /nfs/dbraw/zinc/69/96/27/350699627.db2.gz MNSBMWQQFGZCCM-UHFFFAOYSA-N 1 3 297.446 3.365 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000631666630 351111837 /nfs/dbraw/zinc/11/18/37/351111837.db2.gz GHKRRYPAXYVWPX-JZXOWHBKSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000631666630 351111839 /nfs/dbraw/zinc/11/18/39/351111839.db2.gz GHKRRYPAXYVWPX-JZXOWHBKSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000631666629 351111875 /nfs/dbraw/zinc/11/18/75/351111875.db2.gz GHKRRYPAXYVWPX-JFIYKMOQSA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@H](CCO)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000631666629 351111877 /nfs/dbraw/zinc/11/18/77/351111877.db2.gz GHKRRYPAXYVWPX-JFIYKMOQSA-N 1 3 296.499 3.170 20 0 CGADHO C[NH+](C)Cc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000631568246 351070092 /nfs/dbraw/zinc/07/00/92/351070092.db2.gz UCCVWLUQXGHASV-IBGZPJMESA-N 1 3 295.430 3.310 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@@H]2CCC[C@H]21 ZINC000631807714 351145913 /nfs/dbraw/zinc/14/59/13/351145913.db2.gz NYJUISCWKPKEOM-RYQLBKOJSA-N 1 3 283.419 3.130 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc3[nH]ccc32)[C@@H]2CCC[C@H]21 ZINC000631807714 351145915 /nfs/dbraw/zinc/14/59/15/351145915.db2.gz NYJUISCWKPKEOM-RYQLBKOJSA-N 1 3 283.419 3.130 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634734150 351580080 /nfs/dbraw/zinc/58/00/80/351580080.db2.gz YEOXLYLYRDGFEM-QWRGUYRKSA-N 1 3 266.351 3.085 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCCCC[C@@H](N)C3)ccc2n1 ZINC000634997010 351620608 /nfs/dbraw/zinc/62/06/08/351620608.db2.gz AYZBQHVYAKXLPC-QGZVFWFLSA-N 1 3 283.419 3.247 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCCCC[C@@H](N)C3)ccc2n1 ZINC000634997010 351620611 /nfs/dbraw/zinc/62/06/11/351620611.db2.gz AYZBQHVYAKXLPC-QGZVFWFLSA-N 1 3 283.419 3.247 20 0 CGADHO CC[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006040 351623447 /nfs/dbraw/zinc/62/34/47/351623447.db2.gz KQUWJZJIARWNSY-ROUUACIJSA-N 1 3 283.419 3.082 20 0 CGADHO COc1ccc([C@@H](C)N[C@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000635008222 351626590 /nfs/dbraw/zinc/62/65/90/351626590.db2.gz SIEQPJWYNIZYMY-CABCVRRESA-N 1 3 290.451 3.432 20 0 CGADHO N[C@@H](CC[NH2+][C@H]1CCC12CCCC2)Cc1ccccc1 ZINC000635010219 351628284 /nfs/dbraw/zinc/62/82/84/351628284.db2.gz ZDPSEPXTHGSMHY-IRXDYDNUSA-N 1 3 272.436 3.259 20 0 CGADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000635011332 351629900 /nfs/dbraw/zinc/62/99/00/351629900.db2.gz NFUNOMZVMQRPKJ-NEPJUHHUSA-N 1 3 252.427 3.177 20 0 CGADHO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012164 351630694 /nfs/dbraw/zinc/63/06/94/351630694.db2.gz RFZBZCDIOVQRKK-UONOGXRCSA-N 1 3 280.481 3.437 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123172198 187075857 /nfs/dbraw/zinc/07/58/57/187075857.db2.gz GJJUNWGWVDVILD-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cc(C)cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123172198 187075858 /nfs/dbraw/zinc/07/58/58/187075858.db2.gz GJJUNWGWVDVILD-WBVHZDCISA-N 1 3 260.425 3.218 20 0 CGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000122941847 187061211 /nfs/dbraw/zinc/06/12/11/187061211.db2.gz IFOAXUCXAQFKGN-KBMXLJTQSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000122941847 187061212 /nfs/dbraw/zinc/06/12/12/187061212.db2.gz IFOAXUCXAQFKGN-KBMXLJTQSA-N 1 3 260.425 3.437 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000123194081 187077014 /nfs/dbraw/zinc/07/70/14/187077014.db2.gz BHSZRSWASLVNEA-WMLDXEAASA-N 1 3 283.419 3.149 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2cccc3cccnc32)CC[N@H+]1C ZINC000123194081 187077015 /nfs/dbraw/zinc/07/70/15/187077015.db2.gz BHSZRSWASLVNEA-WMLDXEAASA-N 1 3 283.419 3.149 20 0 CGADHO Cc1oc2ccccc2c1CNCC1=CC[N@H+](C)CC1 ZINC000271868116 191379588 /nfs/dbraw/zinc/37/95/88/191379588.db2.gz WQUPEZICDOLJMP-UHFFFAOYSA-N 1 3 270.376 3.093 20 0 CGADHO Cc1oc2ccccc2c1CNCC1=CC[N@@H+](C)CC1 ZINC000271868116 191379591 /nfs/dbraw/zinc/37/95/91/191379591.db2.gz WQUPEZICDOLJMP-UHFFFAOYSA-N 1 3 270.376 3.093 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000414169616 235352840 /nfs/dbraw/zinc/35/28/40/235352840.db2.gz BDCAMKATJRHRSI-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1F ZINC000414169616 235352841 /nfs/dbraw/zinc/35/28/41/235352841.db2.gz BDCAMKATJRHRSI-STQMWFEESA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](CCc1ccc(Cl)s1)NCC[C@H]1CCC[NH2+]1 ZINC000414906165 235491657 /nfs/dbraw/zinc/49/16/57/235491657.db2.gz OXPWKXQYRSQUHU-VXGBXAGGSA-N 1 3 286.872 3.454 20 0 CGADHO C[C@@H](NCC[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423224302 236001240 /nfs/dbraw/zinc/00/12/40/236001240.db2.gz BSYDIMNZKOPCDA-VHSXEESVSA-N 1 3 260.303 3.093 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000423299406 236029979 /nfs/dbraw/zinc/02/99/79/236029979.db2.gz QBTNYBIJZNFSQE-HZPDHXFCSA-N 1 3 282.431 3.391 20 0 CGADHO C[C@H](CN)C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423316241 236035548 /nfs/dbraw/zinc/03/55/48/236035548.db2.gz ZTUZCRLYJATYPS-KYOSRNDESA-N 1 3 266.816 3.161 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423321111 236037751 /nfs/dbraw/zinc/03/77/51/236037751.db2.gz MSEHPZCPGDPIHJ-UKRRQHHQSA-N 1 3 298.352 3.151 20 0 CGADHO FC(F)(F)c1ccc([C@@H]2CC[C@@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423321111 236037756 /nfs/dbraw/zinc/03/77/56/236037756.db2.gz MSEHPZCPGDPIHJ-UKRRQHHQSA-N 1 3 298.352 3.151 20 0 CGADHO COc1ccc([C@H](N[C@H]2CCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000423404710 236064995 /nfs/dbraw/zinc/06/49/95/236064995.db2.gz XPMWAGUUWNKXHO-YQQAZPJKSA-N 1 3 274.408 3.006 20 0 CGADHO C[C@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1C[C@H]1C ZINC000423408122 236066510 /nfs/dbraw/zinc/06/65/10/236066510.db2.gz WZVYSNROMJMLQY-QISBLDNZSA-N 1 3 268.404 3.474 20 0 CGADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(c1ccccc1)c1ccccc1 ZINC000423422149 236068419 /nfs/dbraw/zinc/06/84/19/236068419.db2.gz CYFKNFSZLRWNMF-FEUVXWNVSA-N 1 3 292.426 3.014 20 0 CGADHO Clc1ccc([C@@H]2CCC[C@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423442563 236072611 /nfs/dbraw/zinc/07/26/11/236072611.db2.gz ZESNANBIKANMAH-SOKJMZBUSA-N 1 3 290.838 3.174 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000423461029 236076581 /nfs/dbraw/zinc/07/65/81/236076581.db2.gz JFWYNQRKRMJOBG-SUNYJGFJSA-N 1 3 286.394 3.435 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423502903 236088039 /nfs/dbraw/zinc/08/80/39/236088039.db2.gz FNNDHDGBTJHOGS-QZTJIDSGSA-N 1 3 288.435 3.180 20 0 CGADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cncc(F)c1 ZINC000423507838 236089862 /nfs/dbraw/zinc/08/98/62/236089862.db2.gz QOIOGJIFISENAE-CXAGYDPISA-N 1 3 287.382 3.352 20 0 CGADHO C[C@@H]1CC2(CN1Cc1cc(Cl)cs1)CC[NH2+]CC2 ZINC000424369374 236157681 /nfs/dbraw/zinc/15/76/81/236157681.db2.gz BHWMNRJCRCZVSQ-LLVKDONJSA-N 1 3 284.856 3.366 20 0 CGADHO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c(C)s1 ZINC000424372214 236157917 /nfs/dbraw/zinc/15/79/17/236157917.db2.gz HOEFEKQBBCJTRS-LERXQTSPSA-N 1 3 252.427 3.285 20 0 CGADHO Cc1sccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000294577081 199093240 /nfs/dbraw/zinc/09/32/40/199093240.db2.gz GTUPBLQHOJGKCQ-YIONKMFJSA-N 1 3 264.438 3.114 20 0 CGADHO Cc1sccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000294577081 199093242 /nfs/dbraw/zinc/09/32/42/199093242.db2.gz GTUPBLQHOJGKCQ-YIONKMFJSA-N 1 3 264.438 3.114 20 0 CGADHO CSc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1F ZINC000425938692 236274417 /nfs/dbraw/zinc/27/44/17/236274417.db2.gz RBLPCWPGHUBYSJ-RYUDHWBXSA-N 1 3 284.444 3.396 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425941129 236274909 /nfs/dbraw/zinc/27/49/09/236274909.db2.gz CUCZXBDJZLZRCW-KBPBESRZSA-N 1 3 280.481 3.127 20 0 CGADHO COCC(C)(C)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000426408695 236294082 /nfs/dbraw/zinc/29/40/82/236294082.db2.gz BZXQMLYDMDNLKG-IAGOWNOFSA-N 1 3 296.499 3.245 20 0 CGADHO COCC(C)(C)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000426408695 236294084 /nfs/dbraw/zinc/29/40/84/236294084.db2.gz BZXQMLYDMDNLKG-IAGOWNOFSA-N 1 3 296.499 3.245 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000426286118 236286860 /nfs/dbraw/zinc/28/68/60/236286860.db2.gz LDZANKNZGSVQGG-DOTOQJQBSA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000426286118 236286862 /nfs/dbraw/zinc/28/68/62/236286862.db2.gz LDZANKNZGSVQGG-DOTOQJQBSA-N 1 3 296.499 3.292 20 0 CGADHO Cc1cnccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000294885179 199231099 /nfs/dbraw/zinc/23/10/99/199231099.db2.gz XWWWXAANCJPXTH-UHFFFAOYSA-N 1 3 295.430 3.276 20 0 CGADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CC(C)(C)C2)C1 ZINC000433144570 236778561 /nfs/dbraw/zinc/77/85/61/236778561.db2.gz MZZLWZXINOZMPG-KBPBESRZSA-N 1 3 252.446 3.133 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCc2sc(Cl)cc21 ZINC000423120437 283482534 /nfs/dbraw/zinc/48/25/34/283482534.db2.gz GNTUORIVTMMTMO-JMJZKYOTSA-N 1 3 270.829 3.106 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000089146244 283503237 /nfs/dbraw/zinc/50/32/37/283503237.db2.gz VBWFOTALJVJSHD-OCCSQVGLSA-N 1 3 286.341 3.313 20 0 CGADHO C[C@@H](Cc1c(Cl)cccc1Cl)N[C@@H](C)C1C[NH2+]C1 ZINC000423009272 296005191 /nfs/dbraw/zinc/00/51/91/296005191.db2.gz CKZHMGDONKTCJH-UWVGGRQHSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)C1CNC1 ZINC000423009272 296005192 /nfs/dbraw/zinc/00/51/92/296005192.db2.gz CKZHMGDONKTCJH-UWVGGRQHSA-N 1 3 287.234 3.122 20 0 CGADHO C[C@H]([NH2+]CCCCCF)[C@@H]1CCCN(C2CCC2)C1 ZINC000341906988 216146073 /nfs/dbraw/zinc/14/60/73/216146073.db2.gz VUNXXJQSNOMTHD-LSDHHAIUSA-N 1 3 270.436 3.369 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423057514 296020981 /nfs/dbraw/zinc/02/09/81/296020981.db2.gz ZKJCQMKYMZQUDK-CVEARBPZSA-N 1 3 290.451 3.089 20 0 CGADHO CN(C)C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000179633581 189209306 /nfs/dbraw/zinc/20/93/06/189209306.db2.gz COHGPRHRVQKCIA-QGZVFWFLSA-N 1 3 295.430 3.132 20 0 CGADHO CN(C)C[C@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000179633581 189209307 /nfs/dbraw/zinc/20/93/07/189209307.db2.gz COHGPRHRVQKCIA-QGZVFWFLSA-N 1 3 295.430 3.132 20 0 CGADHO Cc1ccc([C@@H]([NH2+]CCCN(C)C)C2CCCC2)o1 ZINC000342547468 216392720 /nfs/dbraw/zinc/39/27/20/216392720.db2.gz SZLRZLTYBZMXPJ-INIZCTEOSA-N 1 3 264.413 3.361 20 0 CGADHO Cc1cccc(CC[NH2+]Cc2cccc(CN(C)C)c2)c1 ZINC000449220104 239250122 /nfs/dbraw/zinc/25/01/22/239250122.db2.gz PFACYNZZZIYVNS-UHFFFAOYSA-N 1 3 282.431 3.389 20 0 CGADHO CC[C@@H](COC)NCc1ccccc1C[NH+]1CCCCC1 ZINC000120217959 370748339 /nfs/dbraw/zinc/74/83/39/370748339.db2.gz YAGZCOWZZPARRJ-SFHVURJKSA-N 1 3 290.451 3.187 20 0 CGADHO CCOCCC[N@@H+]1CC[C@@H](NCC2=CCCCC2)[C@@H](C)C1 ZINC000450750640 240069783 /nfs/dbraw/zinc/06/97/83/240069783.db2.gz BEYBZVSLFKZIFI-FUHWJXTLSA-N 1 3 294.483 3.213 20 0 CGADHO CCOCCC[N@H+]1CC[C@@H](NCC2=CCCCC2)[C@@H](C)C1 ZINC000450750640 240069790 /nfs/dbraw/zinc/06/97/90/240069790.db2.gz BEYBZVSLFKZIFI-FUHWJXTLSA-N 1 3 294.483 3.213 20 0 CGADHO CCSCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000302424903 201447860 /nfs/dbraw/zinc/44/78/60/201447860.db2.gz RJQKYBOHUVGKFH-QLFBSQMISA-N 1 3 270.486 3.030 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376261 299388059 /nfs/dbraw/zinc/38/80/59/299388059.db2.gz LAPVGZRRLCQOLZ-IJEWVQPXSA-N 1 3 260.425 3.083 20 0 CGADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)c1ccccc1 ZINC000423376261 299388061 /nfs/dbraw/zinc/38/80/61/299388061.db2.gz LAPVGZRRLCQOLZ-IJEWVQPXSA-N 1 3 260.425 3.083 20 0 CGADHO COC[C@@H](CC(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000484491160 243315420 /nfs/dbraw/zinc/31/54/20/243315420.db2.gz RKJIDSCHSHWORB-QGZVFWFLSA-N 1 3 296.499 3.434 20 0 CGADHO COC[C@@H](CC(C)C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000484491160 243315426 /nfs/dbraw/zinc/31/54/26/243315426.db2.gz RKJIDSCHSHWORB-QGZVFWFLSA-N 1 3 296.499 3.434 20 0 CGADHO COc1cccc2cc([C@H](C)[NH2+]CCCN(C)C)oc21 ZINC000020091917 368800468 /nfs/dbraw/zinc/80/04/68/368800468.db2.gz PJPOLJAIMQUNSG-LBPRGKRZSA-N 1 3 276.380 3.044 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C)cc1 ZINC000037644090 369093450 /nfs/dbraw/zinc/09/34/50/369093450.db2.gz SPXDLOAFZLMJSD-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000037644090 369093454 /nfs/dbraw/zinc/09/34/54/369093454.db2.gz SPXDLOAFZLMJSD-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CC[C@@H](NC[C@@H]1CC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000037644090 369093455 /nfs/dbraw/zinc/09/34/55/369093455.db2.gz SPXDLOAFZLMJSD-DOTOQJQBSA-N 1 3 260.425 3.378 20 0 CGADHO CC[NH+](CC)Cc1cccc(NC2CCN(C)CC2)c1 ZINC000037086785 369060655 /nfs/dbraw/zinc/06/06/55/369060655.db2.gz WADKUURVFZWVKJ-UHFFFAOYSA-N 1 3 275.440 3.035 20 0 CGADHO CC[NH+]1CCC(NCc2cccc3ccccc32)CC1 ZINC000037976725 369130110 /nfs/dbraw/zinc/13/01/10/369130110.db2.gz RXZVUMUZUXIEKL-UHFFFAOYSA-N 1 3 268.404 3.414 20 0 CGADHO CC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000037979301 369131275 /nfs/dbraw/zinc/13/12/75/369131275.db2.gz OJBXUUZKQIYHMI-GOSISDBHSA-N 1 3 288.435 3.220 20 0 CGADHO c1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075699 369172026 /nfs/dbraw/zinc/17/20/26/369172026.db2.gz YUJMSLGHZLJJHT-KBXCAEBGSA-N 1 3 270.420 3.212 20 0 CGADHO c1ccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C2CC2)cc1 ZINC000041075699 369172030 /nfs/dbraw/zinc/17/20/30/369172030.db2.gz YUJMSLGHZLJJHT-KBXCAEBGSA-N 1 3 270.420 3.212 20 0 CGADHO CC(C)Oc1cccc(C[NH2+]CCCN2CCCCC2)c1 ZINC000040640097 369160927 /nfs/dbraw/zinc/16/09/27/369160927.db2.gz YZIOQIZSTCERTP-UHFFFAOYSA-N 1 3 290.451 3.439 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(C)o1 ZINC000044729593 369269370 /nfs/dbraw/zinc/26/93/70/369269370.db2.gz RNOLJSCSZQICPY-JZIBPQBNSA-N 1 3 262.397 3.172 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1CCCNC1 ZINC000423215279 296144683 /nfs/dbraw/zinc/14/46/83/296144683.db2.gz MVXHNSQGBOFXGU-SCRDCRAPSA-N 1 3 274.399 3.178 20 0 CGADHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)s1 ZINC000062078136 369617711 /nfs/dbraw/zinc/61/77/11/369617711.db2.gz DBTOJQRLALLJSY-GXTWGEPZSA-N 1 3 266.454 3.439 20 0 CGADHO Cc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccc1F ZINC000063197304 369643256 /nfs/dbraw/zinc/64/32/56/369643256.db2.gz YYEPTHJVDQCTCF-QGZVFWFLSA-N 1 3 276.399 3.098 20 0 CGADHO c1c2ccccc2oc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197938 369643455 /nfs/dbraw/zinc/64/34/55/369643455.db2.gz DGWWUMKSILRQJA-KRWDZBQOSA-N 1 3 284.403 3.397 20 0 CGADHO CC1(C)C(C[NH2+]C2CCN(c3ccncc3)CC2)C1(C)C ZINC000092815160 370103127 /nfs/dbraw/zinc/10/31/27/370103127.db2.gz QLMKFQINOVGZFJ-UHFFFAOYSA-N 1 3 287.451 3.322 20 0 CGADHO C[C@H]1C[C@@H]1c1ccc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000093089018 370107990 /nfs/dbraw/zinc/10/79/90/370107990.db2.gz LFHMEIXUWWGGKU-BBRMVZONSA-N 1 3 276.424 3.177 20 0 CGADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000093453051 370132652 /nfs/dbraw/zinc/13/26/52/370132652.db2.gz YILDVGRGQWSHJX-QLFBSQMISA-N 1 3 264.438 3.067 20 0 CGADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccccc1 ZINC000093495975 370136099 /nfs/dbraw/zinc/13/60/99/370136099.db2.gz MTKFCGMSQJELIS-DOTOQJQBSA-N 1 3 260.425 3.130 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000130265851 371021553 /nfs/dbraw/zinc/02/15/53/371021553.db2.gz WLXAEYKGBRTJOA-MLGOLLRUSA-N 1 3 278.827 3.259 20 0 CGADHO CC(C)(C)[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132090138 371150756 /nfs/dbraw/zinc/15/07/56/371150756.db2.gz JSPUOZFZDBKRHF-GDBMZVCRSA-N 1 3 260.425 3.363 20 0 CGADHO CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132090138 371150759 /nfs/dbraw/zinc/15/07/59/371150759.db2.gz JSPUOZFZDBKRHF-GDBMZVCRSA-N 1 3 260.425 3.363 20 0 CGADHO C[C@H](CC[NH3+])NCc1cccc(OCc2ccccc2)c1 ZINC000136135856 371463326 /nfs/dbraw/zinc/46/33/26/371463326.db2.gz XMAQKWKLPSHSAO-OAHLLOKOSA-N 1 3 284.403 3.093 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000344029877 217017738 /nfs/dbraw/zinc/01/77/38/217017738.db2.gz CPOCRGWIMUXUPN-DYVFJYSZSA-N 1 3 276.399 3.135 20 0 CGADHO Cc1[nH]c2ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc2c1C ZINC000422699177 371756504 /nfs/dbraw/zinc/75/65/04/371756504.db2.gz AHZRMPKWOCEFSY-GHMZBOCLSA-N 1 3 259.397 3.000 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000422707384 371761411 /nfs/dbraw/zinc/76/14/11/371761411.db2.gz WNQDDSSBRRWRFA-KCQAQPDRSA-N 1 3 275.440 3.326 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2c1C ZINC000422722268 371768658 /nfs/dbraw/zinc/76/86/58/371768658.db2.gz PAJFBGVABNEHIP-GOEBONIOSA-N 1 3 271.408 3.002 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccc(F)cc1Cl ZINC000422737927 371777950 /nfs/dbraw/zinc/77/79/50/371777950.db2.gz XXWRKDSGBRZTDQ-QWRGUYRKSA-N 1 3 286.822 3.472 20 0 CGADHO Cc1[nH]c2c(cc(C)cc2CN[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000422745523 371779390 /nfs/dbraw/zinc/77/93/90/371779390.db2.gz VIVFDIRWSGXEQT-WMLDXEAASA-N 1 3 285.435 3.310 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000422835765 371831987 /nfs/dbraw/zinc/83/19/87/371831987.db2.gz JAVZVOMYXRSPNU-NVXWUHKLSA-N 1 3 274.452 3.244 20 0 CGADHO CCO[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1CN)C1CCCC1 ZINC000422830189 371832304 /nfs/dbraw/zinc/83/23/04/371832304.db2.gz VJOPITGQNRVQOI-BRWVUGGUSA-N 1 3 282.472 3.079 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422775959 371798920 /nfs/dbraw/zinc/79/89/20/371798920.db2.gz CRMAWECRQSYSHF-MJBXVCDLSA-N 1 3 295.858 3.024 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000422804307 371820724 /nfs/dbraw/zinc/82/07/24/371820724.db2.gz HHVARRHTYNPMRE-JCAIJIATSA-N 1 3 260.425 3.428 20 0 CGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422812859 371825324 /nfs/dbraw/zinc/82/53/24/371825324.db2.gz RCDSTIJGZFATOS-FUHWJXTLSA-N 1 3 286.463 3.476 20 0 CGADHO Fc1ccc(F)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422817124 371829033 /nfs/dbraw/zinc/82/90/33/371829033.db2.gz CGWHHCXMEWKLJS-UAGQMJEPSA-N 1 3 294.389 3.018 20 0 CGADHO CC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C(C)(C)C ZINC000422865533 371844717 /nfs/dbraw/zinc/84/47/17/371844717.db2.gz YKKRKHNVGMPRMY-SWLSCSKDSA-N 1 3 263.429 3.324 20 0 CGADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422867343 371845402 /nfs/dbraw/zinc/84/54/02/371845402.db2.gz RYIAMIOMVKVFOV-QZTJIDSGSA-N 1 3 282.387 3.448 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000422877191 371850431 /nfs/dbraw/zinc/85/04/31/371850431.db2.gz HDCICMSCSLUGQS-KGLIPLIRSA-N 1 3 278.415 3.353 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccc(F)cc2)CCCC1 ZINC000422877191 371850433 /nfs/dbraw/zinc/85/04/33/371850433.db2.gz HDCICMSCSLUGQS-KGLIPLIRSA-N 1 3 278.415 3.353 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882839 371851230 /nfs/dbraw/zinc/85/12/30/371851230.db2.gz BDBYSSBHOVXUAI-PBHICJAKSA-N 1 3 285.435 3.208 20 0 CGADHO COCCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000422889416 371854975 /nfs/dbraw/zinc/85/49/75/371854975.db2.gz PLPDTNADHIZGSM-IRXDYDNUSA-N 1 3 288.435 3.318 20 0 CGADHO CC(C)C1CCC([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422893633 371856833 /nfs/dbraw/zinc/85/68/33/371856833.db2.gz QUPRKPWJTJSJKC-LBDPXKHJSA-N 1 3 252.446 3.179 20 0 CGADHO Cc1nc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)sc1C ZINC000422893702 371857163 /nfs/dbraw/zinc/85/71/63/371857163.db2.gz RADKIRXDXCTGEH-SWLSCSKDSA-N 1 3 295.496 3.203 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc3sccc3c2)CC[N@@H+]1C ZINC000289947482 371859549 /nfs/dbraw/zinc/85/95/49/371859549.db2.gz WFOLLLABHHVTIQ-SWLSCSKDSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H]1C[C@H](NCc2ccc3sccc3c2)CC[N@H+]1C ZINC000289947482 371859553 /nfs/dbraw/zinc/85/95/53/371859553.db2.gz WFOLLLABHHVTIQ-SWLSCSKDSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@H](NCC1(Sc2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000422910720 371864301 /nfs/dbraw/zinc/86/43/01/371864301.db2.gz ROJZMJCAUDXYSA-AWEZNQCLSA-N 1 3 290.476 3.289 20 0 CGADHO C[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)C1CNC1 ZINC000422910720 371864307 /nfs/dbraw/zinc/86/43/07/371864307.db2.gz ROJZMJCAUDXYSA-AWEZNQCLSA-N 1 3 290.476 3.289 20 0 CGADHO CO[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422919307 371870425 /nfs/dbraw/zinc/87/04/25/371870425.db2.gz JNCUFXPFRYIXHQ-FVQBIDKESA-N 1 3 296.842 3.135 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccccc1Br ZINC000422928242 371875143 /nfs/dbraw/zinc/87/51/43/371875143.db2.gz JQOMVHOICLTLRT-SRVKXCTJSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Br ZINC000422928242 371875148 /nfs/dbraw/zinc/87/51/48/371875148.db2.gz JQOMVHOICLTLRT-SRVKXCTJSA-N 1 3 299.256 3.096 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422930544 371876006 /nfs/dbraw/zinc/87/60/06/371876006.db2.gz UXTWPGCEZJOSEU-LSDHHAIUSA-N 1 3 260.425 3.115 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000422931655 371877693 /nfs/dbraw/zinc/87/76/93/371877693.db2.gz CFXILVHGBIYASE-BBRMVZONSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1csc2ccccc12 ZINC000422931655 371877704 /nfs/dbraw/zinc/87/77/04/371877704.db2.gz CFXILVHGBIYASE-BBRMVZONSA-N 1 3 288.460 3.422 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422939007 371881225 /nfs/dbraw/zinc/88/12/25/371881225.db2.gz QNBNBMFUOAPZGE-HKUYNNGSSA-N 1 3 282.431 3.489 20 0 CGADHO C[C@H](NC[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000422848000 371839336 /nfs/dbraw/zinc/83/93/36/371839336.db2.gz JCSPRKOVUHLJOE-RFQIPJPRSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2cc(Cl)ccc21 ZINC000422946248 371884655 /nfs/dbraw/zinc/88/46/55/371884655.db2.gz OMZDAZBLIVRBJQ-BHDSKKPTSA-N 1 3 252.789 3.043 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422946612 371884703 /nfs/dbraw/zinc/88/47/03/371884703.db2.gz PGNCLDMQYBEFCI-RTBURBONSA-N 1 3 282.431 3.489 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000423059879 371939340 /nfs/dbraw/zinc/93/93/40/371939340.db2.gz NBHMTEILEXEJRQ-JSGCOSHPSA-N 1 3 275.440 3.468 20 0 CGADHO CSCc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423059903 371939757 /nfs/dbraw/zinc/93/97/57/371939757.db2.gz NCKPFKBXPQNKJC-CZUORRHYSA-N 1 3 278.465 3.027 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422949708 371888449 /nfs/dbraw/zinc/88/84/49/371888449.db2.gz VYZPFNFWJRZRGS-HOCLYGCPSA-N 1 3 280.843 3.380 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000422950902 371889093 /nfs/dbraw/zinc/88/90/93/371889093.db2.gz WZWQIEXWMFQFPS-WCQYABFASA-N 1 3 287.234 3.253 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1cccc(Cl)c1Cl ZINC000422950902 371889098 /nfs/dbraw/zinc/88/90/98/371889098.db2.gz WZWQIEXWMFQFPS-WCQYABFASA-N 1 3 287.234 3.253 20 0 CGADHO CC(C)OCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000154927528 371891167 /nfs/dbraw/zinc/89/11/67/371891167.db2.gz NJSTWQKBIBJISD-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO CC(C)OCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000154927528 371891182 /nfs/dbraw/zinc/89/11/82/371891182.db2.gz NJSTWQKBIBJISD-UHFFFAOYSA-N 1 3 282.472 3.188 20 0 CGADHO CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422974759 371897913 /nfs/dbraw/zinc/89/79/13/371897913.db2.gz AHDBPNDPSQMYPU-YWPYICTPSA-N 1 3 268.832 3.377 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1cccc(C(C)(C)C)c1 ZINC000422979055 371900024 /nfs/dbraw/zinc/90/00/24/371900024.db2.gz IUOFRUUDHLEFFR-ZIAGYGMSSA-N 1 3 278.440 3.078 20 0 CGADHO FC1(F)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000423008632 371912042 /nfs/dbraw/zinc/91/20/42/371912042.db2.gz ASLMTXHUFOJBKJ-SOUVJXGZSA-N 1 3 286.410 3.465 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)c2ccccc21 ZINC000290163847 371918324 /nfs/dbraw/zinc/91/83/24/371918324.db2.gz DKKFKXVOSDNKRQ-DYVFJYSZSA-N 1 3 256.393 3.086 20 0 CGADHO Clc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423027625 371924087 /nfs/dbraw/zinc/92/40/87/371924087.db2.gz RQZRXENATACMAS-PBWFPOADSA-N 1 3 290.838 3.244 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000423045989 371931109 /nfs/dbraw/zinc/93/11/09/371931109.db2.gz DRMBFKKPWJMSJO-BXUZGUMPSA-N 1 3 268.351 3.102 20 0 CGADHO C[NH2+]CC1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000156084623 371959812 /nfs/dbraw/zinc/95/98/12/371959812.db2.gz KSBXCEDMKRTBNU-UHFFFAOYSA-N 1 3 268.351 3.056 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000423098051 371963715 /nfs/dbraw/zinc/96/37/15/371963715.db2.gz JVDNRTJRZSKNQJ-CCGTUFIJSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NC1CC(C)(c2ccccc2)C1 ZINC000423098051 371963721 /nfs/dbraw/zinc/96/37/21/371963721.db2.gz JVDNRTJRZSKNQJ-CCGTUFIJSA-N 1 3 272.436 3.084 20 0 CGADHO CSc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423108118 371969317 /nfs/dbraw/zinc/96/93/17/371969317.db2.gz STALQMWPZPFJRV-SRVKXCTJSA-N 1 3 252.427 3.185 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106540 371970293 /nfs/dbraw/zinc/97/02/93/371970293.db2.gz ZZHKJVXWXUKYLH-NLRBGTRBSA-N 1 3 266.816 3.301 20 0 CGADHO C[C@@H](N)C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423106540 371970299 /nfs/dbraw/zinc/97/02/99/371970299.db2.gz ZZHKJVXWXUKYLH-NLRBGTRBSA-N 1 3 266.816 3.301 20 0 CGADHO CC[C@H](NCC1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423116537 371975270 /nfs/dbraw/zinc/97/52/70/371975270.db2.gz QHCGELSVUPXSTC-KXIUCKCTSA-N 1 3 272.436 3.300 20 0 CGADHO CC[C@H]([NH2+]CC1CC(c2ccccc2)C1)[C@@H]1CCCN1 ZINC000423116537 371975275 /nfs/dbraw/zinc/97/52/75/371975275.db2.gz QHCGELSVUPXSTC-KXIUCKCTSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC(C(F)(F)F)C1 ZINC000423120818 371976417 /nfs/dbraw/zinc/97/64/17/371976417.db2.gz HSMKCMZUDWSLKF-IGJPJIBNSA-N 1 3 278.362 3.228 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423130374 371982752 /nfs/dbraw/zinc/98/27/52/371982752.db2.gz RZNFTPJILZTMJR-AAVRWANBSA-N 1 3 292.389 3.462 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[NH2+]CC1)CCC2 ZINC000423129383 371983256 /nfs/dbraw/zinc/98/32/56/371983256.db2.gz RAMRWQVTZYOEAF-WBVHZDCISA-N 1 3 258.409 3.104 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000423145416 371990686 /nfs/dbraw/zinc/99/06/86/371990686.db2.gz KPKSPJZYTVKJJJ-AAEUAGOBSA-N 1 3 297.393 3.325 20 0 CGADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000423147392 371992574 /nfs/dbraw/zinc/99/25/74/371992574.db2.gz CNUHGTNMEZMJNE-DMRKSPOLSA-N 1 3 264.457 3.179 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccc(Cl)c(Cl)c1 ZINC000423156285 371994452 /nfs/dbraw/zinc/99/44/52/371994452.db2.gz KYVCWIIAHMBVGX-NXEZZACHSA-N 1 3 291.222 3.088 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc(Cl)c(Cl)c1 ZINC000423156288 371994711 /nfs/dbraw/zinc/99/47/11/371994711.db2.gz KYVCWIIAHMBVGX-ZJUUUORDSA-N 1 3 291.222 3.088 20 0 CGADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000423073063 371947174 /nfs/dbraw/zinc/94/71/74/371947174.db2.gz KKSOAQSSMNXYFD-DDBAPUKQSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 ZINC000423078370 371950230 /nfs/dbraw/zinc/95/02/30/371950230.db2.gz VVVUHKIXGIXQFW-MXWKQRLJSA-N 1 3 285.229 3.226 20 0 CGADHO [NH3+]CCCN[C@H](CCc1ccccc1)c1ccccc1 ZINC000423194869 372018826 /nfs/dbraw/zinc/01/88/26/372018826.db2.gz RYXBSTZMWOBHEQ-GOSISDBHSA-N 1 3 268.404 3.299 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCCNC1)c1cccc(Br)c1 ZINC000423197247 372022041 /nfs/dbraw/zinc/02/20/41/372022041.db2.gz YPPXCCJPOASJDN-KBPBESRZSA-N 1 3 297.240 3.242 20 0 CGADHO C[NH2+]CCCN[C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000423204098 372027906 /nfs/dbraw/zinc/02/79/06/372027906.db2.gz UJUZFNYSKOKNFX-QGZVFWFLSA-N 1 3 260.425 3.425 20 0 CGADHO CNCCC[NH2+][C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000423204098 372027911 /nfs/dbraw/zinc/02/79/11/372027911.db2.gz UJUZFNYSKOKNFX-QGZVFWFLSA-N 1 3 260.425 3.425 20 0 CGADHO C[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208394 372029891 /nfs/dbraw/zinc/02/98/91/372029891.db2.gz HVTDMFWZIIHHAA-HOTGVXAUSA-N 1 3 295.430 3.399 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000423209221 372032428 /nfs/dbraw/zinc/03/24/28/372032428.db2.gz ILIFIRGUKPQYSZ-GUYCJALGSA-N 1 3 292.854 3.250 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423211672 372032613 /nfs/dbraw/zinc/03/26/13/372032613.db2.gz LCHBQEJRGVBGJI-XHSDSOJGSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423214231 372034745 /nfs/dbraw/zinc/03/47/45/372034745.db2.gz LABSTBVVJIESJD-RBSFLKMASA-N 1 3 286.419 3.342 20 0 CGADHO C[C@H](Cc1coc2ccccc12)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423214231 372034748 /nfs/dbraw/zinc/03/47/48/372034748.db2.gz LABSTBVVJIESJD-RBSFLKMASA-N 1 3 286.419 3.342 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423212469 372034778 /nfs/dbraw/zinc/03/47/78/372034778.db2.gz LZIXBMZANQLORV-FVCCEPFGSA-N 1 3 298.883 3.483 20 0 CGADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423221442 372040585 /nfs/dbraw/zinc/04/05/85/372040585.db2.gz ZVZOKKXYDZUGPR-PBFPGSCMSA-N 1 3 276.399 3.038 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423303994 372050210 /nfs/dbraw/zinc/05/02/10/372050210.db2.gz XXPOCENFCASZGR-AMIZOPFISA-N 1 3 273.207 3.165 20 0 CGADHO C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423374432 372055570 /nfs/dbraw/zinc/05/55/70/372055570.db2.gz SVOMOGHQEFQIID-YSLLHCQFSA-N 1 3 294.389 3.189 20 0 CGADHO CC(C)C[C@H](NCCC[NH3+])c1ccc(Cl)cc1 ZINC000423178294 372006459 /nfs/dbraw/zinc/00/64/59/372006459.db2.gz BQXABHHQCOGXLE-AWEZNQCLSA-N 1 3 254.805 3.366 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C2CCNCC2)c2ccccc12 ZINC000423186463 372012259 /nfs/dbraw/zinc/01/22/59/372012259.db2.gz OITZTXOVOKFSCT-CYBMUJFWSA-N 1 3 284.403 3.251 20 0 CGADHO COc1ccccc1[C@H]([NH2+][C@@H](C)[C@@H](C)N)C1CCCC1 ZINC000423437137 372063536 /nfs/dbraw/zinc/06/35/36/372063536.db2.gz GCVRXSXHPHWWKE-IIYDPXPESA-N 1 3 276.424 3.252 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000424370504 372085338 /nfs/dbraw/zinc/08/53/38/372085338.db2.gz DKFOUYGBCRSTMT-RBSFLKMASA-N 1 3 264.800 3.187 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)C1(CC)CC ZINC000429348689 372353750 /nfs/dbraw/zinc/35/37/50/372353750.db2.gz KWCLDBXYUVPDAW-OWCLPIDISA-N 1 3 282.472 3.044 20 0 CGADHO Cc1sccc1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000293427655 372381418 /nfs/dbraw/zinc/38/14/18/372381418.db2.gz AWEMFIPNOAHAJT-UONOGXRCSA-N 1 3 252.427 3.019 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+]CC2=CCN(C)CC2)C1 ZINC000344345533 217161309 /nfs/dbraw/zinc/16/13/09/217161309.db2.gz FAQPWTAPRYVHNP-ZBFHGGJFSA-N 1 3 250.430 3.054 20 0 CGADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1cccs1 ZINC000162687386 372410146 /nfs/dbraw/zinc/41/01/46/372410146.db2.gz JFLFGCPVNLMBEG-ZIAGYGMSSA-N 1 3 264.438 3.369 20 0 CGADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1cccs1 ZINC000162687386 372410149 /nfs/dbraw/zinc/41/01/49/372410149.db2.gz JFLFGCPVNLMBEG-ZIAGYGMSSA-N 1 3 264.438 3.369 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000163189568 372450935 /nfs/dbraw/zinc/45/09/35/372450935.db2.gz URUBGKJTFUYNEN-DYVFJYSZSA-N 1 3 254.377 3.009 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000163236592 372456337 /nfs/dbraw/zinc/45/63/37/372456337.db2.gz VNCWDFLDILZKSW-DOTOQJQBSA-N 1 3 288.435 3.140 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000163648082 372484167 /nfs/dbraw/zinc/48/41/67/372484167.db2.gz CRGOEJHNQCGYTR-RISCZKNCSA-N 1 3 268.351 3.054 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000163648082 372484168 /nfs/dbraw/zinc/48/41/68/372484168.db2.gz CRGOEJHNQCGYTR-RISCZKNCSA-N 1 3 268.351 3.054 20 0 CGADHO COc1ccc(CN(C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC000353417644 220072100 /nfs/dbraw/zinc/07/21/00/220072100.db2.gz VLRQADDTGNAAGJ-UHFFFAOYSA-N 1 3 296.842 3.122 20 0 CGADHO C[C@@H]1C[C@H]1c1ccc(CNC2CCC([NH+](C)C)CC2)o1 ZINC000353456257 220094089 /nfs/dbraw/zinc/09/40/89/220094089.db2.gz URSFBFWJQYSWCN-UWLZSVRSSA-N 1 3 276.424 3.365 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353503365 220123614 /nfs/dbraw/zinc/12/36/14/220123614.db2.gz ORYDMYPUERHCNI-YTQUADARSA-N 1 3 295.430 3.197 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1CCCOc1ccc2ccccc2c1 ZINC000442797282 373086093 /nfs/dbraw/zinc/08/60/93/373086093.db2.gz WNUWEDBNSLBGJW-JKSUJKDBSA-N 1 3 298.430 3.278 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000173902432 373213301 /nfs/dbraw/zinc/21/33/01/373213301.db2.gz XLXDDCDURDPJLM-KRWDZBQOSA-N 1 3 290.451 3.038 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000173902432 373213307 /nfs/dbraw/zinc/21/33/07/373213307.db2.gz XLXDDCDURDPJLM-KRWDZBQOSA-N 1 3 290.451 3.038 20 0 CGADHO Cc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccc1F ZINC000298359785 373303033 /nfs/dbraw/zinc/30/30/33/373303033.db2.gz KCPCOUUSKVGBHR-UHFFFAOYSA-N 1 3 299.393 3.288 20 0 CGADHO CSC1(C[NH2+][C@@H](C)c2cccs2)CCN(C)CC1 ZINC000353613845 220189640 /nfs/dbraw/zinc/18/96/40/220189640.db2.gz WMXGWAOBUDKVDQ-LBPRGKRZSA-N 1 3 284.494 3.226 20 0 CGADHO COC[C@H]([NH2+]C[C@@H]1CCCN(CC(C)C)C1)C1CCCC1 ZINC000446940265 373384881 /nfs/dbraw/zinc/38/48/81/373384881.db2.gz DSQWCRZUFVRKHA-WMZOPIPTSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCCC1 ZINC000446940265 373384889 /nfs/dbraw/zinc/38/48/89/373384889.db2.gz DSQWCRZUFVRKHA-WMZOPIPTSA-N 1 3 296.499 3.149 20 0 CGADHO COC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC000446940265 373384896 /nfs/dbraw/zinc/38/48/96/373384896.db2.gz DSQWCRZUFVRKHA-WMZOPIPTSA-N 1 3 296.499 3.149 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724168 373476224 /nfs/dbraw/zinc/47/62/24/373476224.db2.gz UIQIHGDWKZYYTG-RDJZCZTQSA-N 1 3 290.451 3.308 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000447724168 373476236 /nfs/dbraw/zinc/47/62/36/373476236.db2.gz UIQIHGDWKZYYTG-RDJZCZTQSA-N 1 3 290.451 3.308 20 0 CGADHO C[C@@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000449441886 373717950 /nfs/dbraw/zinc/71/79/50/373717950.db2.gz UTKQIRJHWSHZIR-UTRMSSBJSA-N 1 3 284.447 3.285 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@@H+]1C ZINC000179561697 373888801 /nfs/dbraw/zinc/88/88/01/373888801.db2.gz OZYVKTMQOZFZBM-SRCQZFHVSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(F)ccc32)CC[N@H+]1C ZINC000179561697 373888805 /nfs/dbraw/zinc/88/88/05/373888805.db2.gz OZYVKTMQOZFZBM-SRCQZFHVSA-N 1 3 276.399 3.275 20 0 CGADHO CCSCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000302424904 373865982 /nfs/dbraw/zinc/86/59/82/373865982.db2.gz RJQKYBOHUVGKFH-RBSFLKMASA-N 1 3 270.486 3.030 20 0 CGADHO CCCc1ccc2nccc(NC3CC[NH+](C)CC3)c2c1 ZINC000450223792 374008087 /nfs/dbraw/zinc/00/80/87/374008087.db2.gz PRVWNXQKOYGVDW-UHFFFAOYSA-N 1 3 283.419 3.115 20 0 CGADHO CCc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)o1 ZINC000180274901 373986510 /nfs/dbraw/zinc/98/65/10/373986510.db2.gz CTANBLUAUGMEQM-UHFFFAOYSA-N 1 3 299.418 3.243 20 0 CGADHO CC(C)[NH+]1CCC(N(C)CC2=CCCCC2)CC1 ZINC000450340884 374070139 /nfs/dbraw/zinc/07/01/39/374070139.db2.gz XRDFJJPGVYEIRC-UHFFFAOYSA-N 1 3 250.430 3.291 20 0 CGADHO CN(C[C@H]1CCCCC1(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000450430500 374123267 /nfs/dbraw/zinc/12/32/67/374123267.db2.gz SELKPGHPLPQVIB-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CN(C[C@H]1CCCCC1(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000450430500 374123274 /nfs/dbraw/zinc/12/32/74/374123274.db2.gz SELKPGHPLPQVIB-ZIAGYGMSSA-N 1 3 274.399 3.086 20 0 CGADHO CCSCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000305941396 374124521 /nfs/dbraw/zinc/12/45/21/374124521.db2.gz BFHQUWZZDKIZMH-KBPBESRZSA-N 1 3 258.475 3.030 20 0 CGADHO C[C@H](C[NH2+][C@@H](C)c1cccc(Br)c1)CN(C)C ZINC000310196396 374210517 /nfs/dbraw/zinc/21/05/17/374210517.db2.gz ANJHMCXPXCNPIA-NEPJUHHUSA-N 1 3 299.256 3.297 20 0 CGADHO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)s1)CN(C)C ZINC000310770708 374225564 /nfs/dbraw/zinc/22/55/64/374225564.db2.gz CRFUTRWPTVDHMH-LBPRGKRZSA-N 1 3 268.470 3.333 20 0 CGADHO CC(C)=CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721309 374722685 /nfs/dbraw/zinc/72/26/85/374722685.db2.gz ZUNBCQPKLRFWCX-CABCVRRESA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721309 374722690 /nfs/dbraw/zinc/72/26/90/374722690.db2.gz ZUNBCQPKLRFWCX-CABCVRRESA-N 1 3 250.430 3.195 20 0 CGADHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185721309 374722694 /nfs/dbraw/zinc/72/26/94/374722694.db2.gz ZUNBCQPKLRFWCX-CABCVRRESA-N 1 3 250.430 3.195 20 0 CGADHO CC[NH+]1CCC(NCc2ccccc2C2CC2)CC1 ZINC000094357595 541985409 /nfs/dbraw/zinc/98/54/09/541985409.db2.gz CZOUESZEKWISRB-UHFFFAOYSA-N 1 3 258.409 3.138 20 0 CGADHO CCO[C@H]1C[C@@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459635982 374812762 /nfs/dbraw/zinc/81/27/62/374812762.db2.gz QTRWERUWMPDFER-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000459635982 374812769 /nfs/dbraw/zinc/81/27/69/374812769.db2.gz QTRWERUWMPDFER-OWLYRPNTSA-N 1 3 294.483 3.187 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](CCC(C)(C)CC)C1 ZINC000464782012 374898946 /nfs/dbraw/zinc/89/89/46/374898946.db2.gz UWVGIHYYNYMUEP-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](CCC(C)(C)CC)C1 ZINC000464782012 374898951 /nfs/dbraw/zinc/89/89/51/374898951.db2.gz UWVGIHYYNYMUEP-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(CCC(C)(C)CC)C1 ZINC000464782012 374898956 /nfs/dbraw/zinc/89/89/56/374898956.db2.gz UWVGIHYYNYMUEP-OAHLLOKOSA-N 1 3 254.462 3.476 20 0 CGADHO CC(C)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000483202471 375177119 /nfs/dbraw/zinc/17/71/19/375177119.db2.gz PKDQWJINWKWDPV-IAGOWNOFSA-N 1 3 296.499 3.244 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC1 ZINC000483314785 375177359 /nfs/dbraw/zinc/17/73/59/375177359.db2.gz MNDQAEZXOGFLPW-VNQPRFMTSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H]1CC1(C)C ZINC000487196690 375207025 /nfs/dbraw/zinc/20/70/25/375207025.db2.gz HJRFYCVDDNERNA-UONOGXRCSA-N 1 3 252.446 3.133 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)cc1 ZINC000335197018 375219110 /nfs/dbraw/zinc/21/91/10/375219110.db2.gz PAOYGFQIUXIMTQ-SJORKVTESA-N 1 3 258.409 3.054 20 0 CGADHO C[NH+](C)CC[C@H](NC/C=C\c1ccncc1)C(C)(C)C ZINC000487283246 375220043 /nfs/dbraw/zinc/22/00/43/375220043.db2.gz WOXOZCXPIXDMPR-WLMCBFPDSA-N 1 3 275.440 3.051 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000488301023 375306547 /nfs/dbraw/zinc/30/65/47/375306547.db2.gz VBBGYNDKNRGFSF-BRWVUGGUSA-N 1 3 264.457 3.230 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189313429 375365182 /nfs/dbraw/zinc/36/51/82/375365182.db2.gz DHRHAKIZZPPZQZ-KRWDZBQOSA-N 1 3 272.436 3.134 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189313429 375365190 /nfs/dbraw/zinc/36/51/90/375365190.db2.gz DHRHAKIZZPPZQZ-KRWDZBQOSA-N 1 3 272.436 3.134 20 0 CGADHO CC[C@H](CN[C@H](C)[C@H](OC)c1ccccc1)[NH+]1CCCC1 ZINC000493889222 375483809 /nfs/dbraw/zinc/48/38/09/375483809.db2.gz SQMDXCQHBYNCSP-NXHRZFHOSA-N 1 3 290.451 3.227 20 0 CGADHO C[C@@H]1CSC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335944887 375558812 /nfs/dbraw/zinc/55/88/12/375558812.db2.gz IIQCJBSWGNYMFZ-CZUORRHYSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@@H]1CSC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335944887 375558816 /nfs/dbraw/zinc/55/88/16/375558816.db2.gz IIQCJBSWGNYMFZ-CZUORRHYSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@H](c1ccc(F)cc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000336129363 375708529 /nfs/dbraw/zinc/70/85/29/375708529.db2.gz APLUSTCERQTXOK-GFCCVEGCSA-N 1 3 280.362 3.101 20 0 CGADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000507523281 375712262 /nfs/dbraw/zinc/71/22/62/375712262.db2.gz IJHHARMBTRZRJT-QBPKDAKJSA-N 1 3 262.441 3.172 20 0 CGADHO CN(CCCc1ccccc1)CCC[NH+]1CCCCC1 ZINC000508172572 375739926 /nfs/dbraw/zinc/73/99/26/375739926.db2.gz DRRUGUCORGSDGO-UHFFFAOYSA-N 1 3 274.452 3.427 20 0 CGADHO CCN(CC)CCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000514244232 375804024 /nfs/dbraw/zinc/80/40/24/375804024.db2.gz FBFDOUYUEQFFLS-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000514244232 375804031 /nfs/dbraw/zinc/80/40/31/375804031.db2.gz FBFDOUYUEQFFLS-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1C ZINC000194232170 375974881 /nfs/dbraw/zinc/97/48/81/375974881.db2.gz XGIZEOOFQFZZGI-UHFFFAOYSA-N 1 3 298.430 3.355 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1cc(F)ccc1F ZINC000336791330 375941234 /nfs/dbraw/zinc/94/12/34/375941234.db2.gz NCHFAMLPCGOIFC-MNOVXSKESA-N 1 3 256.340 3.133 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)C1 ZINC000537296700 376160356 /nfs/dbraw/zinc/16/03/56/376160356.db2.gz YTVQPKUACMRTDN-YLFCFFPRSA-N 1 3 296.499 3.148 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC(C)C)C1)C1CC1 ZINC000540151286 376358875 /nfs/dbraw/zinc/35/88/75/376358875.db2.gz MLFWKMKUKBWENM-GDBMZVCRSA-N 1 3 252.446 3.133 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000227540336 376398508 /nfs/dbraw/zinc/39/85/08/376398508.db2.gz KLOQKNXTQKBHQB-LZQZEXGQSA-N 1 3 278.399 3.278 20 0 CGADHO Cc1oc2ccccc2c1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000228287649 376432921 /nfs/dbraw/zinc/43/29/21/376432921.db2.gz NGCLJSHQRQSYKA-GXTWGEPZSA-N 1 3 272.392 3.300 20 0 CGADHO C[C@@H]([NH2+]C1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000541599737 376465969 /nfs/dbraw/zinc/46/59/69/376465969.db2.gz OWRLHYBVVFNCHZ-KGLIPLIRSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H](Cc1ccsc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000542131219 376508665 /nfs/dbraw/zinc/50/86/65/376508665.db2.gz SQFLXOSXOSQWKM-OAHLLOKOSA-N 1 3 292.492 3.487 20 0 CGADHO CC(C)[C@H]([NH2+]CC[C@@H](C)N1CCCCC1)C1CC1 ZINC000542488307 376550543 /nfs/dbraw/zinc/55/05/43/376550543.db2.gz HMCVELMKZPRWIR-ZBFHGGJFSA-N 1 3 252.446 3.275 20 0 CGADHO CN(C)CCOCC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000231676702 376564563 /nfs/dbraw/zinc/56/45/63/376564563.db2.gz NYKNIXJNKOFMHM-HOTGVXAUSA-N 1 3 284.488 3.149 20 0 CGADHO Cc1cc(CN(C)[C@@H]2CCC[NH2+]CC2)c2ccccc2n1 ZINC000231669472 376564772 /nfs/dbraw/zinc/56/47/72/376564772.db2.gz XMHYZICHEKMJPX-MRXNPFEDSA-N 1 3 283.419 3.117 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000542469127 376544906 /nfs/dbraw/zinc/54/49/06/376544906.db2.gz MKKYPJTURWYBMO-YESZJQIVSA-N 1 3 266.473 3.476 20 0 CGADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000542469127 376544909 /nfs/dbraw/zinc/54/49/09/376544909.db2.gz MKKYPJTURWYBMO-YESZJQIVSA-N 1 3 266.473 3.476 20 0 CGADHO C[N@H+](CCC1CC1)[C@@H]1CCCN(CCC2CC2)CC1 ZINC000338938789 376584982 /nfs/dbraw/zinc/58/49/82/376584982.db2.gz LXRINCSALCJRBB-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO C[N@@H+](CCC1CC1)[C@@H]1CCCN(CCC2CC2)CC1 ZINC000338938789 376584992 /nfs/dbraw/zinc/58/49/92/376584992.db2.gz LXRINCSALCJRBB-QGZVFWFLSA-N 1 3 264.457 3.373 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543394840 376635121 /nfs/dbraw/zinc/63/51/21/376635121.db2.gz OJLSGVJNDOHTKL-NXHRZFHOSA-N 1 3 278.484 3.476 20 0 CGADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000543394840 376635127 /nfs/dbraw/zinc/63/51/27/376635127.db2.gz OJLSGVJNDOHTKL-NXHRZFHOSA-N 1 3 278.484 3.476 20 0 CGADHO C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCN4CCC[C@@H]4C3)C[C@@H]2C1 ZINC000339076648 376662924 /nfs/dbraw/zinc/66/29/24/376662924.db2.gz WIAIYIBQZCIVBL-DRRXZNNHSA-N 1 3 262.441 3.172 20 0 CGADHO CCc1nocc1CNCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339184568 376731919 /nfs/dbraw/zinc/73/19/19/376731919.db2.gz PTBIGXCPKGAAIT-HUUCEWRRSA-N 1 3 293.455 3.085 20 0 CGADHO CCc1nocc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339184567 376732667 /nfs/dbraw/zinc/73/26/67/376732667.db2.gz PTBIGXCPKGAAIT-GJZGRUSLSA-N 1 3 293.455 3.085 20 0 CGADHO CCN(CC)CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115530 284603837 /nfs/dbraw/zinc/60/38/37/284603837.db2.gz CXASYTYWRJBSRL-UHFFFAOYSA-N 1 3 280.378 3.429 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245532881 376844955 /nfs/dbraw/zinc/84/49/55/376844955.db2.gz IMVLDMJJYGCLDP-OAGGEKHMSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000245532881 376844958 /nfs/dbraw/zinc/84/49/58/376844958.db2.gz IMVLDMJJYGCLDP-OAGGEKHMSA-N 1 3 252.446 3.086 20 0 CGADHO Cn1cccc1[C@@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000245586742 376863035 /nfs/dbraw/zinc/86/30/35/376863035.db2.gz FBJOMWPANXAUBR-WBVHZDCISA-N 1 3 275.440 3.036 20 0 CGADHO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000245586742 376863041 /nfs/dbraw/zinc/86/30/41/376863041.db2.gz FBJOMWPANXAUBR-WBVHZDCISA-N 1 3 275.440 3.036 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757934 376902476 /nfs/dbraw/zinc/90/24/76/376902476.db2.gz PAXRSIVEYHCAHN-HZPDHXFCSA-N 1 3 250.430 3.006 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000245757934 376902477 /nfs/dbraw/zinc/90/24/77/376902477.db2.gz PAXRSIVEYHCAHN-HZPDHXFCSA-N 1 3 250.430 3.006 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086371 376964426 /nfs/dbraw/zinc/96/44/26/376964426.db2.gz IGTQYYLVRYTKTJ-WMLDXEAASA-N 1 3 284.403 3.349 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3coc4ccccc34)CC[C@H]21 ZINC000246086371 376964433 /nfs/dbraw/zinc/96/44/33/376964433.db2.gz IGTQYYLVRYTKTJ-WMLDXEAASA-N 1 3 284.403 3.349 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426633 377051806 /nfs/dbraw/zinc/05/18/06/377051806.db2.gz MBJZLMQNJMUCMG-IUODEOHRSA-N 1 3 282.378 3.228 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(C)(F)F)cc1 ZINC000340426633 377051812 /nfs/dbraw/zinc/05/18/12/377051812.db2.gz MBJZLMQNJMUCMG-IUODEOHRSA-N 1 3 282.378 3.228 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868093 377107268 /nfs/dbraw/zinc/10/72/68/377107268.db2.gz DHOFBBYUNCNUCH-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868093 377107273 /nfs/dbraw/zinc/10/72/73/377107273.db2.gz DHOFBBYUNCNUCH-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc(C)cc(C)c2)C1 ZINC000246868093 377107283 /nfs/dbraw/zinc/10/72/83/377107283.db2.gz DHOFBBYUNCNUCH-CVEARBPZSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)CC2 ZINC000246992786 377134576 /nfs/dbraw/zinc/13/45/76/377134576.db2.gz JLOQWENBUOBATN-LZLYRXPVSA-N 1 3 272.436 3.445 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cs1 ZINC000247032877 377144707 /nfs/dbraw/zinc/14/47/07/377144707.db2.gz NPEBBMRTQVGIOV-KCQAQPDRSA-N 1 3 295.496 3.127 20 0 CGADHO CC(C)c1nc(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cs1 ZINC000247032877 377144712 /nfs/dbraw/zinc/14/47/12/377144712.db2.gz NPEBBMRTQVGIOV-KCQAQPDRSA-N 1 3 295.496 3.127 20 0 CGADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000247136780 377165834 /nfs/dbraw/zinc/16/58/34/377165834.db2.gz AWWZPRWHLPEXMX-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000247136780 377165843 /nfs/dbraw/zinc/16/58/43/377165843.db2.gz AWWZPRWHLPEXMX-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247136780 377165855 /nfs/dbraw/zinc/16/58/55/377165855.db2.gz AWWZPRWHLPEXMX-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO Cc1ccc(C)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247136780 377165865 /nfs/dbraw/zinc/16/58/65/377165865.db2.gz AWWZPRWHLPEXMX-FUHWJXTLSA-N 1 3 272.436 3.220 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000247207671 377176190 /nfs/dbraw/zinc/17/61/90/377176190.db2.gz WSVWWARSUADMEW-XUWVNRHRSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000247234922 377183974 /nfs/dbraw/zinc/18/39/74/377183974.db2.gz XFCZSWLVXVTKRB-YFHUEUNASA-N 1 3 290.451 3.081 20 0 CGADHO Cc1ccc(O[C@H](C)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000247234922 377183985 /nfs/dbraw/zinc/18/39/85/377183985.db2.gz XFCZSWLVXVTKRB-YFHUEUNASA-N 1 3 290.451 3.081 20 0 CGADHO CC(CN1C[C@@H]2CCC[C@H]2C1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247470218 377209305 /nfs/dbraw/zinc/20/93/05/377209305.db2.gz VEJXTSKZGCWXLA-XSLAGTTESA-N 1 3 276.468 3.086 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(C)CC2)C1 ZINC000561467501 377229234 /nfs/dbraw/zinc/22/92/34/377229234.db2.gz CYBZGJBPFDOPLG-HWOWSKLDSA-N 1 3 252.446 3.275 20 0 CGADHO CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248417501 377314199 /nfs/dbraw/zinc/31/41/99/377314199.db2.gz RHUCNPSVZWAGKP-DZOHQFGASA-N 1 3 272.436 3.285 20 0 CGADHO CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248417500 377315623 /nfs/dbraw/zinc/31/56/23/377315623.db2.gz RHUCNPSVZWAGKP-DZJNRPSUSA-N 1 3 272.436 3.285 20 0 CGADHO CC(C)[N@@H+]1CC[C@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000562206084 377284439 /nfs/dbraw/zinc/28/44/39/377284439.db2.gz LUMBTDDJUSXAFQ-CYBMUJFWSA-N 1 3 298.833 3.342 20 0 CGADHO CC(C)[N@H+]1CC[C@H](CNCCc2ccc(F)cc2Cl)C1 ZINC000562206084 377284447 /nfs/dbraw/zinc/28/44/47/377284447.db2.gz LUMBTDDJUSXAFQ-CYBMUJFWSA-N 1 3 298.833 3.342 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000562206084 377284455 /nfs/dbraw/zinc/28/44/55/377284455.db2.gz LUMBTDDJUSXAFQ-CYBMUJFWSA-N 1 3 298.833 3.342 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000249190526 377477380 /nfs/dbraw/zinc/47/73/80/377477380.db2.gz NUISFGQHJPLVNR-VNQPRFMTSA-N 1 3 278.415 3.219 20 0 CGADHO C[C@H](Cc1ccccc1F)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249190526 377477384 /nfs/dbraw/zinc/47/73/84/377477384.db2.gz NUISFGQHJPLVNR-VNQPRFMTSA-N 1 3 278.415 3.219 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649084 249002725 /nfs/dbraw/zinc/00/27/25/249002725.db2.gz VWKGOVFTEDGLHF-TZMCWYRMSA-N 1 3 264.438 3.273 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccs1 ZINC000037649084 249002729 /nfs/dbraw/zinc/00/27/29/249002729.db2.gz VWKGOVFTEDGLHF-TZMCWYRMSA-N 1 3 264.438 3.273 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166551613 542175993 /nfs/dbraw/zinc/17/59/93/542175993.db2.gz KBQKCMJGLKHJCL-YTQUADARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000166551613 542175998 /nfs/dbraw/zinc/17/59/98/542175998.db2.gz KBQKCMJGLKHJCL-YTQUADARSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000166551613 542176003 /nfs/dbraw/zinc/17/60/03/542176003.db2.gz KBQKCMJGLKHJCL-YTQUADARSA-N 1 3 286.463 3.451 20 0 CGADHO c1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250654042 377564685 /nfs/dbraw/zinc/56/46/85/377564685.db2.gz SQSXJNYEGXHVNA-KZNAEPCWSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)cc1 ZINC000250654042 377564692 /nfs/dbraw/zinc/56/46/92/377564692.db2.gz SQSXJNYEGXHVNA-KZNAEPCWSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@@H](CCc1ccccc1)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470020159 249165571 /nfs/dbraw/zinc/16/55/71/249165571.db2.gz XCUYQQRYYBJVMQ-UBLGTCEWSA-N 1 3 286.463 3.470 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCc2ccc(F)cc21 ZINC000515164998 249203227 /nfs/dbraw/zinc/20/32/27/249203227.db2.gz HOVZSTQHQBUDHD-SGTLLEGYSA-N 1 3 299.393 3.326 20 0 CGADHO c1cc2c(cc1C[NH2+]C1CCN(CC3CC3)CC1)CCCN2 ZINC000515615372 249217524 /nfs/dbraw/zinc/21/75/24/249217524.db2.gz YRGPYABNVWHEIG-UHFFFAOYSA-N 1 3 299.462 3.009 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000573950953 377597801 /nfs/dbraw/zinc/59/78/01/377597801.db2.gz FBNLXNURXGCIIP-OALUTQOASA-N 1 3 295.430 3.498 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574002520 377605620 /nfs/dbraw/zinc/60/56/20/377605620.db2.gz IARINWSRPMJFSE-WMLDXEAASA-N 1 3 292.492 3.343 20 0 CGADHO C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000574002520 377605629 /nfs/dbraw/zinc/60/56/29/377605629.db2.gz IARINWSRPMJFSE-WMLDXEAASA-N 1 3 292.492 3.343 20 0 CGADHO CNCCC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000574333028 377650054 /nfs/dbraw/zinc/65/00/54/377650054.db2.gz ZKOXFTFWBUAPRI-QGZVFWFLSA-N 1 3 260.425 3.083 20 0 CGADHO CNCCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000574333028 377650061 /nfs/dbraw/zinc/65/00/61/377650061.db2.gz ZKOXFTFWBUAPRI-QGZVFWFLSA-N 1 3 260.425 3.083 20 0 CGADHO CSCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000252963273 377672030 /nfs/dbraw/zinc/67/20/30/377672030.db2.gz WDJLDCFIEBZUBS-RBSFLKMASA-N 1 3 270.486 3.030 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(N(C)C)CC1 ZINC000183086632 542227296 /nfs/dbraw/zinc/22/72/96/542227296.db2.gz DDOAVVUVEXELBE-CQSZACIVSA-N 1 3 278.415 3.173 20 0 CGADHO COc1ccc2cc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2c1 ZINC000262490829 377898448 /nfs/dbraw/zinc/89/84/48/377898448.db2.gz KZURQEHVGOPFJD-QXAKKESOSA-N 1 3 296.414 3.018 20 0 CGADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000261719468 377844067 /nfs/dbraw/zinc/84/40/67/377844067.db2.gz KDPKTLGATVXFMB-IWCVFHTOSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@@]1(CN2CCC[C@@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769174 377851887 /nfs/dbraw/zinc/85/18/87/377851887.db2.gz MLNWTDMVMAINFN-QZTJIDSGSA-N 1 3 272.436 3.083 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000262543305 377900272 /nfs/dbraw/zinc/90/02/72/377900272.db2.gz RJDOWLPGYQNKCK-HOCLYGCPSA-N 1 3 298.430 3.265 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCN)C1CC1 ZINC000262910421 377911307 /nfs/dbraw/zinc/91/13/07/377911307.db2.gz FRHRWQKQXQSLLM-ZDUSSCGKSA-N 1 3 254.377 3.324 20 0 CGADHO C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCN)C1CC1 ZINC000262910421 377911310 /nfs/dbraw/zinc/91/13/10/377911310.db2.gz FRHRWQKQXQSLLM-ZDUSSCGKSA-N 1 3 254.377 3.324 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000578834236 378104691 /nfs/dbraw/zinc/10/46/91/378104691.db2.gz KKZJQTZSWIODTH-AWEZNQCLSA-N 1 3 272.392 3.253 20 0 CGADHO CCN1CC[C@H]([NH2+]Cc2cc(F)ccc2SC)[C@@H](C)C1 ZINC000345167644 378210810 /nfs/dbraw/zinc/21/08/10/378210810.db2.gz RXZVONBGYBCLJL-WFASDCNBSA-N 1 3 296.455 3.368 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCc3c2cccc3Cl)C1 ZINC000579701803 378184039 /nfs/dbraw/zinc/18/40/39/378184039.db2.gz LEHWDQQIIMQKEB-HFAKWTLXSA-N 1 3 264.800 3.187 20 0 CGADHO COc1cc(C)ccc1[C@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583747204 378343309 /nfs/dbraw/zinc/34/33/09/378343309.db2.gz PBMULUPVWSIYCR-RRQGHBQHSA-N 1 3 288.435 3.042 20 0 CGADHO CCc1cccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000583816928 378349475 /nfs/dbraw/zinc/34/94/75/378349475.db2.gz PXUVWGQRDXDLBK-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000583816928 378349478 /nfs/dbraw/zinc/34/94/78/378349478.db2.gz PXUVWGQRDXDLBK-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000583816928 378349482 /nfs/dbraw/zinc/34/94/82/378349482.db2.gz PXUVWGQRDXDLBK-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO CCc1cccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000583816928 378349485 /nfs/dbraw/zinc/34/94/85/378349485.db2.gz PXUVWGQRDXDLBK-QZTJIDSGSA-N 1 3 272.436 3.165 20 0 CGADHO C[C@@H](c1cccnc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000271044886 378437089 /nfs/dbraw/zinc/43/70/89/378437089.db2.gz NVOFINHRHQITCD-HNNXBMFYSA-N 1 3 275.440 3.196 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1=CCN(C)CC1 ZINC000271891545 378511926 /nfs/dbraw/zinc/51/19/26/378511926.db2.gz SARVJMYPBSTUSC-RHSMWYFYSA-N 1 3 270.420 3.395 20 0 CGADHO CN(C)C1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000637925796 378633938 /nfs/dbraw/zinc/63/39/38/378633938.db2.gz CVGOYKONXOIPOA-QZTJIDSGSA-N 1 3 272.436 3.206 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000346491447 378594003 /nfs/dbraw/zinc/59/40/03/378594003.db2.gz OEDZATCPGVDTKB-YJBOKZPZSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000346491447 378594008 /nfs/dbraw/zinc/59/40/08/378594008.db2.gz OEDZATCPGVDTKB-YJBOKZPZSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272605895 378675083 /nfs/dbraw/zinc/67/50/83/378675083.db2.gz ZEQUHLRPTDKMHW-AEFFLSMTSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272605895 378675086 /nfs/dbraw/zinc/67/50/86/378675086.db2.gz ZEQUHLRPTDKMHW-AEFFLSMTSA-N 1 3 272.436 3.453 20 0 CGADHO CC(C)=CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272605895 378675090 /nfs/dbraw/zinc/67/50/90/378675090.db2.gz ZEQUHLRPTDKMHW-AEFFLSMTSA-N 1 3 272.436 3.453 20 0 CGADHO COc1ccc([C@H](C)CN(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346693746 378678519 /nfs/dbraw/zinc/67/85/19/378678519.db2.gz PKSPOXKADWFNSE-PBHICJAKSA-N 1 3 278.440 3.104 20 0 CGADHO CCN1CCC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638450772 378807953 /nfs/dbraw/zinc/80/79/53/378807953.db2.gz HGEYUCUHIVQLSR-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@@H+]1CCC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638450772 378807959 /nfs/dbraw/zinc/80/79/59/378807959.db2.gz HGEYUCUHIVQLSR-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CCC[C@H](CNCC(C)(C)Oc2ccccc2)C1 ZINC000638450772 378807970 /nfs/dbraw/zinc/80/79/70/378807970.db2.gz HGEYUCUHIVQLSR-MRXNPFEDSA-N 1 3 290.451 3.166 20 0 CGADHO Cc1ccc([C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)s1 ZINC000346827144 218025844 /nfs/dbraw/zinc/02/58/44/218025844.db2.gz FXNJHBPEKBZKAD-KGLIPLIRSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)s1 ZINC000346827144 218025846 /nfs/dbraw/zinc/02/58/46/218025846.db2.gz FXNJHBPEKBZKAD-KGLIPLIRSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)s1 ZINC000346827144 218025848 /nfs/dbraw/zinc/02/58/48/218025848.db2.gz FXNJHBPEKBZKAD-KGLIPLIRSA-N 1 3 264.438 3.193 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346854238 218038688 /nfs/dbraw/zinc/03/86/88/218038688.db2.gz TZPLKYALOWVBHL-MAZHCROVSA-N 1 3 278.827 3.126 20 0 CGADHO c1ccc(CC2(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904467 218054221 /nfs/dbraw/zinc/05/42/21/218054221.db2.gz LVVASDQMHIXZMY-QZTJIDSGSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904467 218054222 /nfs/dbraw/zinc/05/42/22/218054222.db2.gz LVVASDQMHIXZMY-QZTJIDSGSA-N 1 3 284.447 3.368 20 0 CGADHO c1ccc(CC2([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CCC2)cc1 ZINC000346904467 218054224 /nfs/dbraw/zinc/05/42/24/218054224.db2.gz LVVASDQMHIXZMY-QZTJIDSGSA-N 1 3 284.447 3.368 20 0 CGADHO C([NH2+]C1CCN(C2CCCC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638736361 378894859 /nfs/dbraw/zinc/89/48/59/378894859.db2.gz SGYLEMJPQYGNNC-QDMKHBRRSA-N 1 3 262.441 3.029 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000347004649 218089693 /nfs/dbraw/zinc/08/96/93/218089693.db2.gz AIVBGFXYYVYJLS-BEFAXECRSA-N 1 3 295.430 3.308 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000567198844 322153796 /nfs/dbraw/zinc/15/37/96/322153796.db2.gz FQHBMUDXOFFDNG-IXDOHACOSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000567198844 322153797 /nfs/dbraw/zinc/15/37/97/322153797.db2.gz FQHBMUDXOFFDNG-IXDOHACOSA-N 1 3 264.457 3.230 20 0 CGADHO CC[C@](C)(C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)OC ZINC000638973221 378963439 /nfs/dbraw/zinc/96/34/39/378963439.db2.gz YOTNSPPOASZQRF-YQQAZPJKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000638973221 378963443 /nfs/dbraw/zinc/96/34/43/378963443.db2.gz YOTNSPPOASZQRF-YQQAZPJKSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@](C)(CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000638973221 378963448 /nfs/dbraw/zinc/96/34/48/378963448.db2.gz YOTNSPPOASZQRF-YQQAZPJKSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000347131579 218133498 /nfs/dbraw/zinc/13/34/98/218133498.db2.gz RIPODYXACWSPCS-BEFAXECRSA-N 1 3 295.430 3.308 20 0 CGADHO CC[NH2+]CC1CCN(Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000347214815 218157897 /nfs/dbraw/zinc/15/78/97/218157897.db2.gz QMFNPIHVRNNBRB-UHFFFAOYSA-N 1 3 290.451 3.134 20 0 CGADHO Cc1ccc(CCNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000639123769 379048234 /nfs/dbraw/zinc/04/82/34/379048234.db2.gz FCOWNBHLIFBCFI-UHFFFAOYSA-N 1 3 272.436 3.144 20 0 CGADHO c1ccc(CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000266759676 190279424 /nfs/dbraw/zinc/27/94/24/190279424.db2.gz SNYJPBQUBYUAQW-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO c1ccc(CC[N@H+]2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000266759676 190279425 /nfs/dbraw/zinc/27/94/25/190279425.db2.gz SNYJPBQUBYUAQW-GOSISDBHSA-N 1 3 272.436 3.037 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733887 379505174 /nfs/dbraw/zinc/50/51/74/379505174.db2.gz NWVYTZHGXTURSU-NUJGCVRESA-N 1 3 290.451 3.084 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733887 379505177 /nfs/dbraw/zinc/50/51/77/379505177.db2.gz NWVYTZHGXTURSU-NUJGCVRESA-N 1 3 290.451 3.084 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279733887 379505179 /nfs/dbraw/zinc/50/51/79/379505179.db2.gz NWVYTZHGXTURSU-NUJGCVRESA-N 1 3 290.451 3.084 20 0 CGADHO C[N@H+](Cc1cccc(F)c1)C1CCN(c2ccncc2)CC1 ZINC000376798388 379605072 /nfs/dbraw/zinc/60/50/72/379605072.db2.gz GZCIZHCNPWYJFB-UHFFFAOYSA-N 1 3 299.393 3.322 20 0 CGADHO C[N@@H+](Cc1cccc(F)c1)C1CCN(c2ccncc2)CC1 ZINC000376798388 379605075 /nfs/dbraw/zinc/60/50/75/379605075.db2.gz GZCIZHCNPWYJFB-UHFFFAOYSA-N 1 3 299.393 3.322 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280731876 379775214 /nfs/dbraw/zinc/77/52/14/379775214.db2.gz GYZKVPHBPZQVPS-LEUOFYLZSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc([C@H]2C[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000280731876 379775220 /nfs/dbraw/zinc/77/52/20/379775220.db2.gz GYZKVPHBPZQVPS-LEUOFYLZSA-N 1 3 288.410 3.288 20 0 CGADHO C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)CN1CCCCC1 ZINC000352555528 379857775 /nfs/dbraw/zinc/85/77/75/379857775.db2.gz OEIVUZUXTIFLCN-QQFBHYJXSA-N 1 3 282.472 3.044 20 0 CGADHO C[C@H](CNC1CC(OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000352555528 379857782 /nfs/dbraw/zinc/85/77/82/379857782.db2.gz OEIVUZUXTIFLCN-QQFBHYJXSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000387654087 379878639 /nfs/dbraw/zinc/87/86/39/379878639.db2.gz LINIINRCDKKBGF-JYJNAYRXSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000410378001 380090839 /nfs/dbraw/zinc/09/08/39/380090839.db2.gz JSFFHZUPXAQGRT-HZPDHXFCSA-N 1 3 252.446 3.086 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000410378001 380090844 /nfs/dbraw/zinc/09/08/44/380090844.db2.gz JSFFHZUPXAQGRT-HZPDHXFCSA-N 1 3 252.446 3.086 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000410393517 380093866 /nfs/dbraw/zinc/09/38/66/380093866.db2.gz WQENBGJQRMVYFH-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000410393517 380093870 /nfs/dbraw/zinc/09/38/70/380093870.db2.gz WQENBGJQRMVYFH-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000410393517 380093871 /nfs/dbraw/zinc/09/38/71/380093871.db2.gz WQENBGJQRMVYFH-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000410393517 380093874 /nfs/dbraw/zinc/09/38/74/380093874.db2.gz WQENBGJQRMVYFH-INIZCTEOSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805273 380113385 /nfs/dbraw/zinc/11/33/85/380113385.db2.gz FIGZLTHQYPQICT-UTUOFQBUSA-N 1 3 266.351 3.167 20 0 CGADHO C[C@@H]1CC[C@@H](CN)[N@@H+](CCCCC(F)(F)F)[C@@H]1C ZINC000641805273 380113387 /nfs/dbraw/zinc/11/33/87/380113387.db2.gz FIGZLTHQYPQICT-UTUOFQBUSA-N 1 3 266.351 3.167 20 0 CGADHO CC[N@@H+]1CC[C@H](NCC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353953589 380252831 /nfs/dbraw/zinc/25/28/31/380252831.db2.gz GHLCHKNANUOYKJ-RYUDHWBXSA-N 1 3 278.362 3.039 20 0 CGADHO CC[N@H+]1CC[C@H](NCC2(C(F)(F)F)CCC2)[C@@H](C)C1 ZINC000353953589 380252835 /nfs/dbraw/zinc/25/28/35/380252835.db2.gz GHLCHKNANUOYKJ-RYUDHWBXSA-N 1 3 278.362 3.039 20 0 CGADHO Cc1ccc(C[C@@H](NC[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000643502018 380325018 /nfs/dbraw/zinc/32/50/18/380325018.db2.gz VWUHKHNYQLBPBM-ZWKOTPCHSA-N 1 3 272.436 3.048 20 0 CGADHO COCCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000643521725 380337263 /nfs/dbraw/zinc/33/72/63/380337263.db2.gz ABYBRSGXKLCFQP-DLBZAZTESA-N 1 3 294.414 3.025 20 0 CGADHO CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000643521689 380337485 /nfs/dbraw/zinc/33/74/85/380337485.db2.gz WLYPGCFXNISEEL-RDJZCZTQSA-N 1 3 276.424 3.268 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000643518439 380335942 /nfs/dbraw/zinc/33/59/42/380335942.db2.gz HOZATGWWETUGJK-HIFRSBDPSA-N 1 3 266.454 3.049 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457458 380309709 /nfs/dbraw/zinc/30/97/09/380309709.db2.gz CYUVSTTZQLYNPV-QWRGUYRKSA-N 1 3 279.815 3.079 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000643458310 380309758 /nfs/dbraw/zinc/30/97/58/380309758.db2.gz HJVWOFJZCIIVHK-SJORKVTESA-N 1 3 260.425 3.116 20 0 CGADHO COc1ccccc1C(C)(C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000643457656 380310451 /nfs/dbraw/zinc/31/04/51/380310451.db2.gz UZLUAESQMBFZOW-HZPDHXFCSA-N 1 3 290.451 3.222 20 0 CGADHO CO[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000643467463 380313741 /nfs/dbraw/zinc/31/37/41/380313741.db2.gz IWEPIUFKULFLKR-VBNZEHGJSA-N 1 3 296.842 3.135 20 0 CGADHO Cc1noc(C)c1[C@H](C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643471075 380314966 /nfs/dbraw/zinc/31/49/66/380314966.db2.gz XVLFFWLDCGRWKN-XJKCOSOUSA-N 1 3 293.455 3.295 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccccc2)C[C@H]1C ZINC000354205278 380364659 /nfs/dbraw/zinc/36/46/59/380364659.db2.gz HTCVQNCREUJFAE-SJORKVTESA-N 1 3 290.451 3.260 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccccc2)C[C@H]1C ZINC000354205278 380364664 /nfs/dbraw/zinc/36/46/64/380364664.db2.gz HTCVQNCREUJFAE-SJORKVTESA-N 1 3 290.451 3.260 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C[C@H]1C ZINC000354224842 380369921 /nfs/dbraw/zinc/36/99/21/380369921.db2.gz TUVQHYGZLNNEBZ-WBVHZDCISA-N 1 3 260.425 3.034 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccccc2)C[C@H]1C ZINC000354224842 380369925 /nfs/dbraw/zinc/36/99/25/380369925.db2.gz TUVQHYGZLNNEBZ-WBVHZDCISA-N 1 3 260.425 3.034 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C[C@H]1C ZINC000354224840 380370320 /nfs/dbraw/zinc/37/03/20/380370320.db2.gz TUVQHYGZLNNEBZ-NVXWUHKLSA-N 1 3 260.425 3.034 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C[C@H]1C ZINC000354224840 380370324 /nfs/dbraw/zinc/37/03/24/380370324.db2.gz TUVQHYGZLNNEBZ-NVXWUHKLSA-N 1 3 260.425 3.034 20 0 CGADHO C[C@H]1C[C@H](CN(C)Cc2nc3ccccc3s2)CC[NH2+]1 ZINC000414685072 380372582 /nfs/dbraw/zinc/37/25/82/380372582.db2.gz XSEYLJVSWHYAQC-QWHCGFSZSA-N 1 3 289.448 3.116 20 0 CGADHO CC(C)C[C@H](N)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000414698934 380380392 /nfs/dbraw/zinc/38/03/92/380380392.db2.gz DNUVZJMYNQCDRV-AWEZNQCLSA-N 1 3 252.377 3.024 20 0 CGADHO CC(C)(NCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000414713835 380385065 /nfs/dbraw/zinc/38/50/65/380385065.db2.gz UOMQPEYBRHZKKW-UHFFFAOYSA-N 1 3 261.196 3.167 20 0 CGADHO C[C@@H]1C[C@@H](CN(C)Cc2cc(Cl)ccc2F)CC[NH2+]1 ZINC000414756404 380393178 /nfs/dbraw/zinc/39/31/78/380393178.db2.gz QRGBXQGIBLEIBF-NEPJUHHUSA-N 1 3 284.806 3.299 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000643522359 380339130 /nfs/dbraw/zinc/33/91/30/380339130.db2.gz LZMJYUWNEVNIHQ-RDJZCZTQSA-N 1 3 272.436 3.413 20 0 CGADHO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643522307 380339839 /nfs/dbraw/zinc/33/98/39/380339839.db2.gz LHIMNKRTXPBNHO-JYJNAYRXSA-N 1 3 252.446 3.323 20 0 CGADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC000643525795 380340473 /nfs/dbraw/zinc/34/04/73/380340473.db2.gz JJMJCIYFMNVXAX-LJIZCISZSA-N 1 3 252.446 3.177 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000643525887 380340639 /nfs/dbraw/zinc/34/06/39/380340639.db2.gz GTDFRWBTPKTLIM-KGLIPLIRSA-N 1 3 270.376 3.477 20 0 CGADHO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](C)N ZINC000643528314 380345190 /nfs/dbraw/zinc/34/51/90/380345190.db2.gz GYOMUJSUJDYYQX-UWVGGRQHSA-N 1 3 293.411 3.255 20 0 CGADHO Cc1nc([C@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)c(C)s1 ZINC000643532304 380346726 /nfs/dbraw/zinc/34/67/26/380346726.db2.gz AIFIUGWJDYIMOW-BPNCWPANSA-N 1 3 281.469 3.176 20 0 CGADHO C[C@@H](N)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000643529111 380346733 /nfs/dbraw/zinc/34/67/33/380346733.db2.gz VIFBWBINBCOMBO-QAPCUYQASA-N 1 3 268.404 3.297 20 0 CGADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(Cl)c1 ZINC000643534605 380349671 /nfs/dbraw/zinc/34/96/71/380349671.db2.gz YSCOVUZHCLCLGJ-IINYFYTJSA-N 1 3 282.790 3.272 20 0 CGADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1OC(F)F ZINC000643534370 380349808 /nfs/dbraw/zinc/34/98/08/380349808.db2.gz SKXJZRNOXDRUFG-RISCZKNCSA-N 1 3 296.361 3.081 20 0 CGADHO CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(C)ccc1OC ZINC000643534955 380351044 /nfs/dbraw/zinc/35/10/44/380351044.db2.gz GIDRXRAZDXGSAV-DOTOQJQBSA-N 1 3 288.435 3.186 20 0 CGADHO CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccccc1F ZINC000643535712 380352211 /nfs/dbraw/zinc/35/22/11/380352211.db2.gz OXWJYUDCQBDLID-GJZGRUSLSA-N 1 3 262.372 3.009 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000414652001 380352553 /nfs/dbraw/zinc/35/25/53/380352553.db2.gz CTAVCJKMMWMVPC-CRAIPNDOSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@@H]([C@@H](C)N)C2)cc1 ZINC000414652001 380352556 /nfs/dbraw/zinc/35/25/56/380352556.db2.gz CTAVCJKMMWMVPC-CRAIPNDOSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H](C)N)C2)cc1 ZINC000414652001 380352562 /nfs/dbraw/zinc/35/25/62/380352562.db2.gz CTAVCJKMMWMVPC-CRAIPNDOSA-N 1 3 274.452 3.412 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CNCCCO1)c1cccc2ccccc21 ZINC000643542406 380358113 /nfs/dbraw/zinc/35/81/13/380358113.db2.gz MCHWJNYJLAYVQA-QFBILLFUSA-N 1 3 298.430 3.259 20 0 CGADHO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546570 380360158 /nfs/dbraw/zinc/36/01/58/380360158.db2.gz RGNWXJACWWQDTA-NVXWUHKLSA-N 1 3 270.420 3.328 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546921 380360717 /nfs/dbraw/zinc/36/07/17/380360717.db2.gz WVDPZOVHIWUAND-FRFSOERESA-N 1 3 270.420 3.184 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546921 380360721 /nfs/dbraw/zinc/36/07/21/380360721.db2.gz WVDPZOVHIWUAND-FRFSOERESA-N 1 3 270.420 3.184 20 0 CGADHO CCC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000643547931 380362902 /nfs/dbraw/zinc/36/29/02/380362902.db2.gz KYGDAQSYRWZZJI-LSDHHAIUSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(F)cc2)cc1 ZINC000414813951 380425848 /nfs/dbraw/zinc/42/58/48/380425848.db2.gz UWCASIPIJNTQHQ-GFCCVEGCSA-N 1 3 258.340 3.135 20 0 CGADHO C[C@@H]([NH2+]CCCC1CCCCC1)[C@H]1CCCNC1 ZINC000414821893 380432438 /nfs/dbraw/zinc/43/24/38/380432438.db2.gz MGFBLZFOSRSCRS-ZBFHGGJFSA-N 1 3 252.446 3.325 20 0 CGADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414823801 380434226 /nfs/dbraw/zinc/43/42/26/380434226.db2.gz DWZWKDBJTFIJMD-MSOLQXFVSA-N 1 3 274.452 3.377 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000414827508 380435824 /nfs/dbraw/zinc/43/58/24/380435824.db2.gz XQTOAIAIMMGGRP-INMHGKMJSA-N 1 3 260.425 3.158 20 0 CGADHO COc1ccc2cc(CN[C@@H](C)[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000414855403 380457541 /nfs/dbraw/zinc/45/75/41/380457541.db2.gz NDAKFUXXVKJJQW-KBXCAEBGSA-N 1 3 298.430 3.326 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CNC ZINC000414829752 380437285 /nfs/dbraw/zinc/43/72/85/380437285.db2.gz BKENSAWAYLYJDS-NVXWUHKLSA-N 1 3 262.441 3.233 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1c(Cl)cccc1Cl ZINC000414838573 380445403 /nfs/dbraw/zinc/44/54/03/380445403.db2.gz LHMWEYUQWXFMTN-WDEREUQCSA-N 1 3 289.250 3.370 20 0 CGADHO NC1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCCCC1 ZINC000414845095 380450370 /nfs/dbraw/zinc/45/03/70/380450370.db2.gz QNUXJYCHDIOQEC-UHFFFAOYSA-N 1 3 295.430 3.500 20 0 CGADHO C[NH2+]C[C@@H](C)CNCCCc1c(Cl)cccc1Cl ZINC000414853416 380455437 /nfs/dbraw/zinc/45/54/37/380455437.db2.gz SJWMMEDXJPEJSS-LLVKDONJSA-N 1 3 289.250 3.371 20 0 CGADHO CNC[C@@H](C)C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414853416 380455439 /nfs/dbraw/zinc/45/54/39/380455439.db2.gz SJWMMEDXJPEJSS-LLVKDONJSA-N 1 3 289.250 3.371 20 0 CGADHO C[NH2+]C[C@H](C)CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854501 380455604 /nfs/dbraw/zinc/45/56/04/380455604.db2.gz VBUNDMNYGYOJBE-RYUDHWBXSA-N 1 3 288.357 3.254 20 0 CGADHO CNC[C@H](C)C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414854501 380455609 /nfs/dbraw/zinc/45/56/09/380455609.db2.gz VBUNDMNYGYOJBE-RYUDHWBXSA-N 1 3 288.357 3.254 20 0 CGADHO Clc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414785598 380403266 /nfs/dbraw/zinc/40/32/66/380403266.db2.gz SVLMUOUZPNHIID-RYUDHWBXSA-N 1 3 284.856 3.223 20 0 CGADHO Fc1ccc(Cl)cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781466 380403659 /nfs/dbraw/zinc/40/36/59/380403659.db2.gz MYIVQVMXVNQPPG-CHWSQXEVSA-N 1 3 296.817 3.301 20 0 CGADHO C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414793492 380408977 /nfs/dbraw/zinc/40/89/77/380408977.db2.gz DMKVVFYWWIFYQL-FRFSOERESA-N 1 3 278.415 3.254 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000414795358 380410111 /nfs/dbraw/zinc/41/01/11/380410111.db2.gz GTTZREKFDABLKF-ZIAGYGMSSA-N 1 3 268.351 3.231 20 0 CGADHO CCC([NH3+])(CC)CN[C@H](C)Cc1ccc(Cl)cc1 ZINC000414803949 380416293 /nfs/dbraw/zinc/41/62/93/380416293.db2.gz DKCKMIQGZRVSEB-GFCCVEGCSA-N 1 3 268.832 3.378 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)[C@H](C)OC)c1 ZINC000268757690 190429511 /nfs/dbraw/zinc/42/95/11/190429511.db2.gz FUJMTMZTSAGCJW-GJZGRUSLSA-N 1 3 278.440 3.041 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCNCC1 ZINC000414919072 380488829 /nfs/dbraw/zinc/48/88/29/380488829.db2.gz UEUGXLLYEKTWPA-IRXDYDNUSA-N 1 3 260.425 3.130 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cc(Cl)cc(Cl)c2)C1 ZINC000414925841 380491323 /nfs/dbraw/zinc/49/13/23/380491323.db2.gz MLFDZSMDNFNXRR-CHWSQXEVSA-N 1 3 273.207 3.353 20 0 CGADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000414925146 380491828 /nfs/dbraw/zinc/49/18/28/380491828.db2.gz LAUCYOMTFIBEBX-STQMWFEESA-N 1 3 297.240 3.117 20 0 CGADHO C[C@@H](CCC(F)(F)F)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414932085 380493047 /nfs/dbraw/zinc/49/30/47/380493047.db2.gz SGCLYFGOPBTNGX-WDEREUQCSA-N 1 3 266.351 3.085 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CNCC[C@@H]1C ZINC000414930617 380493112 /nfs/dbraw/zinc/49/31/12/380493112.db2.gz PAXJRPHQUSTKPT-HZMBPMFUSA-N 1 3 286.341 3.101 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414933476 380495908 /nfs/dbraw/zinc/49/59/08/380495908.db2.gz APJMQZKOOORFTF-LEUOFYLZSA-N 1 3 272.436 3.227 20 0 CGADHO CNCCC[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414860162 380461105 /nfs/dbraw/zinc/46/11/05/380461105.db2.gz OLGHCKLHKQBTFM-ROUUACIJSA-N 1 3 290.451 3.309 20 0 CGADHO C[NH2+]CCCN[C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000414860162 380461111 /nfs/dbraw/zinc/46/11/11/380461111.db2.gz OLGHCKLHKQBTFM-ROUUACIJSA-N 1 3 290.451 3.309 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(-c2ccccc2)s1 ZINC000414870275 380466654 /nfs/dbraw/zinc/46/66/54/380466654.db2.gz BXYOHPYHUQTDTN-LBPRGKRZSA-N 1 3 260.406 3.100 20 0 CGADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NCC1([NH3+])CCC1 ZINC000414879136 380471761 /nfs/dbraw/zinc/47/17/61/380471761.db2.gz PEJKNCXPGBMQGZ-LLVKDONJSA-N 1 3 286.341 3.107 20 0 CGADHO [NH3+][C@H](CN[C@H]1CCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000414889931 380475992 /nfs/dbraw/zinc/47/59/92/380475992.db2.gz LXEGWISMNVRANL-XHSDSOJGSA-N 1 3 278.827 3.303 20 0 CGADHO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000414898250 380479839 /nfs/dbraw/zinc/47/98/39/380479839.db2.gz BAFZMEKXOCMNBZ-AEFFLSMTSA-N 1 3 274.452 3.295 20 0 CGADHO c1ccc(C[C@@H]2CC[C@H](NCC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000414900189 380479950 /nfs/dbraw/zinc/47/99/50/380479950.db2.gz DETFFIJSRLAICH-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO FC(F)C1(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000355145061 380599106 /nfs/dbraw/zinc/59/91/06/380599106.db2.gz DGEYBRGFFZNDFC-UHFFFAOYSA-N 1 3 272.383 3.028 20 0 CGADHO FC(F)C1(CNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000355145061 380599109 /nfs/dbraw/zinc/59/91/09/380599109.db2.gz DGEYBRGFFZNDFC-UHFFFAOYSA-N 1 3 272.383 3.028 20 0 CGADHO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1F ZINC000356835179 380891312 /nfs/dbraw/zinc/89/13/12/380891312.db2.gz CHIXCNADVMXZQS-ZFWWWQNUSA-N 1 3 294.414 3.359 20 0 CGADHO Cc1cc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccn1 ZINC000358151499 381294128 /nfs/dbraw/zinc/29/41/28/381294128.db2.gz ODEIZRULTWTZQU-ZOBUZTSGSA-N 1 3 273.424 3.232 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000359101023 381337224 /nfs/dbraw/zinc/33/72/24/381337224.db2.gz CGKYTBZCRRZCSI-SOLBZPMBSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCOC2)CC1 ZINC000359101023 381337227 /nfs/dbraw/zinc/33/72/27/381337227.db2.gz CGKYTBZCRRZCSI-SOLBZPMBSA-N 1 3 294.483 3.046 20 0 CGADHO Cc1c[nH+]ccc1N1CCN(C2CCC(C)CC2)CC1 ZINC000359507042 381351621 /nfs/dbraw/zinc/35/16/21/381351621.db2.gz WXVSECNGCLGTHY-UHFFFAOYSA-N 1 3 273.424 3.091 20 0 CGADHO CC(C)CN1CCC([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000223630734 542289691 /nfs/dbraw/zinc/28/96/91/542289691.db2.gz BUWWUFABLQKNRW-AWEZNQCLSA-N 1 3 254.462 3.379 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2cccs2)C[C@@H]1C ZINC000740885044 572466116 /nfs/dbraw/zinc/46/61/16/572466116.db2.gz YKDRNPVQXNSJKK-UONOGXRCSA-N 1 3 266.454 3.095 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2cccs2)C[C@@H]1C ZINC000740885044 572466123 /nfs/dbraw/zinc/46/61/23/572466123.db2.gz YKDRNPVQXNSJKK-UONOGXRCSA-N 1 3 266.454 3.095 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712908 382104753 /nfs/dbraw/zinc/10/47/53/382104753.db2.gz BYEWHQIEFYTAFR-SGMGOOAPSA-N 1 3 289.448 3.430 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ncsc2c1 ZINC000362712908 382104755 /nfs/dbraw/zinc/10/47/55/382104755.db2.gz BYEWHQIEFYTAFR-SGMGOOAPSA-N 1 3 289.448 3.430 20 0 CGADHO C[C@@H]1CSC[C@H]1[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000367710795 382354837 /nfs/dbraw/zinc/35/48/37/382354837.db2.gz YZJLNOUASDBWCV-RHSMWYFYSA-N 1 3 296.524 3.372 20 0 CGADHO C[C@@H]1CSC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000367710795 382354842 /nfs/dbraw/zinc/35/48/42/382354842.db2.gz YZJLNOUASDBWCV-RHSMWYFYSA-N 1 3 296.524 3.372 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743216 220292891 /nfs/dbraw/zinc/29/28/91/220292891.db2.gz BOGOFHHWTYOZHZ-YOEHRIQHSA-N 1 3 285.435 3.473 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc3cc[nH]c32)C[C@@H]1C ZINC000353743216 220292893 /nfs/dbraw/zinc/29/28/93/220292893.db2.gz BOGOFHHWTYOZHZ-YOEHRIQHSA-N 1 3 285.435 3.473 20 0 CGADHO Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000289213932 197264546 /nfs/dbraw/zinc/26/45/46/197264546.db2.gz CDOYLGSLHAQRHI-XYPWUTKMSA-N 1 3 276.399 3.191 20 0 CGADHO Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC000289213932 197264548 /nfs/dbraw/zinc/26/45/48/197264548.db2.gz CDOYLGSLHAQRHI-XYPWUTKMSA-N 1 3 276.399 3.191 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000312001604 542431755 /nfs/dbraw/zinc/43/17/55/542431755.db2.gz GVPYYKWFDMPDEC-PVAVHDDUSA-N 1 3 264.457 3.419 20 0 CGADHO COc1ccc([C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C(C)C)cc1 ZINC000423385577 533199310 /nfs/dbraw/zinc/19/93/10/533199310.db2.gz RCSAOUNSMNFFJJ-YSVLISHTSA-N 1 3 276.424 3.122 20 0 CGADHO CN1CCC2(CCC[N@@H+]2Cc2scnc2C2CC2)CC1 ZINC000336584144 542478592 /nfs/dbraw/zinc/47/85/92/542478592.db2.gz ZGRNFHGNHLCXKW-UHFFFAOYSA-N 1 3 291.464 3.081 20 0 CGADHO CN1CCC2(CCC[N@H+]2Cc2scnc2C2CC2)CC1 ZINC000336584144 542478595 /nfs/dbraw/zinc/47/85/95/542478595.db2.gz ZGRNFHGNHLCXKW-UHFFFAOYSA-N 1 3 291.464 3.081 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1cccs1 ZINC000339073127 542486127 /nfs/dbraw/zinc/48/61/27/542486127.db2.gz AEQWBBHDBYSHFD-ZNMIVQPWSA-N 1 3 278.465 3.143 20 0 CGADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cccs1 ZINC000339073127 542486128 /nfs/dbraw/zinc/48/61/28/542486128.db2.gz AEQWBBHDBYSHFD-ZNMIVQPWSA-N 1 3 278.465 3.143 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423502905 533248331 /nfs/dbraw/zinc/24/83/31/533248331.db2.gz FNNDHDGBTJHOGS-ZWKOTPCHSA-N 1 3 288.435 3.180 20 0 CGADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCCC1)CC2 ZINC000092835523 533297067 /nfs/dbraw/zinc/29/70/67/533297067.db2.gz SHDBINBAEYAATF-GOSISDBHSA-N 1 3 288.435 3.148 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000423310695 533429736 /nfs/dbraw/zinc/42/97/36/533429736.db2.gz ASNGIFULXVMGSM-RNCFNFMXSA-N 1 3 272.314 3.093 20 0 CGADHO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423397589 533520643 /nfs/dbraw/zinc/52/06/43/533520643.db2.gz TYFFZKKUUKZOJM-JTQLQIEISA-N 1 3 272.314 3.110 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000441356589 533622658 /nfs/dbraw/zinc/62/26/58/533622658.db2.gz MIHSGMRNUKBORQ-FGTMMUONSA-N 1 3 296.499 3.388 20 0 CGADHO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000441356589 533622663 /nfs/dbraw/zinc/62/26/63/533622663.db2.gz MIHSGMRNUKBORQ-FGTMMUONSA-N 1 3 296.499 3.388 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H](N)C2)c1 ZINC000414934120 542640172 /nfs/dbraw/zinc/64/01/72/542640172.db2.gz XSSPMXYPUGPHOH-BHYGNILZSA-N 1 3 260.425 3.176 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000414928887 542640616 /nfs/dbraw/zinc/64/06/16/542640616.db2.gz QOMPYFUWPKENEY-XSLAGTTESA-N 1 3 272.436 3.491 20 0 CGADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414935205 542641907 /nfs/dbraw/zinc/64/19/07/542641907.db2.gz AWPWHTGDKXZFHD-KXBFYZLASA-N 1 3 280.415 3.441 20 0 CGADHO C[C@](Cc1ccccc1)(NCCC[NH3+])c1ccccc1 ZINC000415132081 542642816 /nfs/dbraw/zinc/64/28/16/542642816.db2.gz ABVMIFJHUCJJRH-GOSISDBHSA-N 1 3 268.404 3.083 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CCCC1 ZINC000054077360 392088290 /nfs/dbraw/zinc/08/82/90/392088290.db2.gz MCDPXEGVROTIMG-CABCVRRESA-N 1 3 252.446 3.419 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000249373112 131120787 /nfs/dbraw/zinc/12/07/87/131120787.db2.gz FGPJKZUCASHMQO-OLZOCXBDSA-N 1 3 266.816 3.332 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C)sc2C)C1 ZINC000249373228 131121644 /nfs/dbraw/zinc/12/16/44/131121644.db2.gz FODKIXACEAEKKB-TZMCWYRMSA-N 1 3 266.454 3.357 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251129465 131128287 /nfs/dbraw/zinc/12/82/87/131128287.db2.gz TXHBPYKKRBYRIG-NJAFHUGGSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251129465 131128289 /nfs/dbraw/zinc/12/82/89/131128289.db2.gz TXHBPYKKRBYRIG-NJAFHUGGSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251129465 131128291 /nfs/dbraw/zinc/12/82/91/131128291.db2.gz TXHBPYKKRBYRIG-NJAFHUGGSA-N 1 3 272.436 3.224 20 0 CGADHO C[C@@H](CC[NH+]1CCC(CF)CC1)N1CCC(CF)CC1 ZINC000451394360 542675114 /nfs/dbraw/zinc/67/51/14/542675114.db2.gz OKRLXDYOZCAPBG-AWEZNQCLSA-N 1 3 288.426 3.128 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CCCNCC2)CC(C)(C)C1 ZINC000129357798 392451729 /nfs/dbraw/zinc/45/17/29/392451729.db2.gz LJZMZBCFTDKHMQ-CYBMUJFWSA-N 1 3 252.446 3.323 20 0 CGADHO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1 ZINC000292356780 392503038 /nfs/dbraw/zinc/50/30/38/392503038.db2.gz RATXHANFORHADK-GOSISDBHSA-N 1 3 281.403 3.075 20 0 CGADHO Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1 ZINC000292356780 392503047 /nfs/dbraw/zinc/50/30/47/392503047.db2.gz RATXHANFORHADK-GOSISDBHSA-N 1 3 281.403 3.075 20 0 CGADHO CC(C)C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccncc1 ZINC000647295508 392647915 /nfs/dbraw/zinc/64/79/15/392647915.db2.gz MYEPTYSFIBHMHG-KRWDZBQOSA-N 1 3 273.424 3.020 20 0 CGADHO CC[C@H]1CN(CCCOc2c(C)cccc2C)CC[C@H]1[NH3+] ZINC000647937133 392839258 /nfs/dbraw/zinc/83/92/58/392839258.db2.gz RHHDLCKPPXOYOD-DLBZAZTESA-N 1 3 290.451 3.132 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389341 392797233 /nfs/dbraw/zinc/79/72/33/392797233.db2.gz MLPNKVCVGVTUGV-KSSFIOAISA-N 1 3 290.426 3.477 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCc2ccc(F)cc21 ZINC000510389341 392797241 /nfs/dbraw/zinc/79/72/41/392797241.db2.gz MLPNKVCVGVTUGV-KSSFIOAISA-N 1 3 290.426 3.477 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCSC2CCCCC2)CC1 ZINC000375693339 392805299 /nfs/dbraw/zinc/80/52/99/392805299.db2.gz PMMCEXLLUOBSPE-OAHLLOKOSA-N 1 3 284.513 3.468 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCSC2CCCCC2)CC1 ZINC000375693339 392805305 /nfs/dbraw/zinc/80/53/05/392805305.db2.gz PMMCEXLLUOBSPE-OAHLLOKOSA-N 1 3 284.513 3.468 20 0 CGADHO C[N@@H+]1CC[C@@H](Nc2nccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000647873807 392818479 /nfs/dbraw/zinc/81/84/79/392818479.db2.gz IBQFAVAMQWNBOX-SJORKVTESA-N 1 3 292.386 3.420 20 0 CGADHO C[N@H+]1CC[C@@H](Nc2nccc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000647873807 392818483 /nfs/dbraw/zinc/81/84/83/392818483.db2.gz IBQFAVAMQWNBOX-SJORKVTESA-N 1 3 292.386 3.420 20 0 CGADHO C[C@@H]1c2ccc(F)cc2CCN1CCC1CC[NH2+]CC1 ZINC000647886740 392826074 /nfs/dbraw/zinc/82/60/74/392826074.db2.gz PFHYGXGRYYWJHD-CYBMUJFWSA-N 1 3 276.399 3.135 20 0 CGADHO C[C@H](c1ccccc1)N(CC1CCC1)C[C@@H]1CC[NH2+]C1 ZINC000647888056 392827217 /nfs/dbraw/zinc/82/72/17/392827217.db2.gz GIDSPSCKCYZFEI-NVXWUHKLSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H]1COc2ccccc2CN1CCCC1CC[NH2+]CC1 ZINC000647991326 392858459 /nfs/dbraw/zinc/85/84/59/392858459.db2.gz ZQLYHEPGWDXYCC-OAHLLOKOSA-N 1 3 288.435 3.049 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000513677848 542733298 /nfs/dbraw/zinc/73/32/98/542733298.db2.gz CXDSPBORBVHSGW-QZTJIDSGSA-N 1 3 287.451 3.322 20 0 CGADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(C)c(Cl)c1 ZINC000195445567 392968401 /nfs/dbraw/zinc/96/84/01/392968401.db2.gz DKIRVCBCYSXMHD-HNNXBMFYSA-N 1 3 298.858 3.095 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1cccc(Cl)c1F ZINC000415006759 393091517 /nfs/dbraw/zinc/09/15/17/393091517.db2.gz ABLWLJBUESEZET-JTQLQIEISA-N 1 3 258.768 3.086 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1cccc(Cl)c1F ZINC000415006760 393091688 /nfs/dbraw/zinc/09/16/88/393091688.db2.gz ABLWLJBUESEZET-SNVBAGLBSA-N 1 3 258.768 3.086 20 0 CGADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000415015322 393096641 /nfs/dbraw/zinc/09/66/41/393096641.db2.gz MSCBLVKJXYPLKV-UTUOFQBUSA-N 1 3 288.357 3.352 20 0 CGADHO Fc1ccc(CN(CC2CC2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346996284 393098438 /nfs/dbraw/zinc/09/84/38/393098438.db2.gz WJZKYZOPLPXBOV-INIZCTEOSA-N 1 3 276.399 3.037 20 0 CGADHO Fc1ccc(C[N@H+](CC2CC2)C[C@H]2CCCNC2)cc1 ZINC000346996284 393098441 /nfs/dbraw/zinc/09/84/41/393098441.db2.gz WJZKYZOPLPXBOV-INIZCTEOSA-N 1 3 276.399 3.037 20 0 CGADHO Fc1ccc(C[N@@H+](CC2CC2)C[C@H]2CCCNC2)cc1 ZINC000346996284 393098444 /nfs/dbraw/zinc/09/84/44/393098444.db2.gz WJZKYZOPLPXBOV-INIZCTEOSA-N 1 3 276.399 3.037 20 0 CGADHO CCCn1c(CN[C@H](C)CCCC[NH3+])nc2ccccc21 ZINC000415017202 393098458 /nfs/dbraw/zinc/09/84/58/393098458.db2.gz RKLVZKARJQKMTM-CQSZACIVSA-N 1 3 288.439 3.053 20 0 CGADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2Cl)C1 ZINC000415032736 393105223 /nfs/dbraw/zinc/10/52/23/393105223.db2.gz IEXHWDHPZSDLOQ-JOYOIKCWSA-N 1 3 273.207 3.210 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000547316818 393105232 /nfs/dbraw/zinc/10/52/32/393105232.db2.gz XGVMOHQHWVRDBK-HNNXBMFYSA-N 1 3 283.419 3.027 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CCC[N@H+](C)C1 ZINC000547316818 393105238 /nfs/dbraw/zinc/10/52/38/393105238.db2.gz XGVMOHQHWVRDBK-HNNXBMFYSA-N 1 3 283.419 3.027 20 0 CGADHO C[C@H]1C[C@H](CN2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000414692206 393053047 /nfs/dbraw/zinc/05/30/47/393053047.db2.gz KJBYCBFNRNBWEU-QWHCGFSZSA-N 1 3 278.827 3.086 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)CCN1 ZINC000414948887 393057878 /nfs/dbraw/zinc/05/78/78/393057878.db2.gz MSTSUQJXZWVKLG-NEPJUHHUSA-N 1 3 284.806 3.142 20 0 CGADHO C[C@@H]1C[C@@H](NCCCc2c(F)cccc2Cl)CC[NH2+]1 ZINC000414948887 393057882 /nfs/dbraw/zinc/05/78/82/393057882.db2.gz MSTSUQJXZWVKLG-NEPJUHHUSA-N 1 3 284.806 3.142 20 0 CGADHO CCC[C@H](C[NH2+][C@@H]1CCN[C@@H](C)C1)c1ccccc1 ZINC000414952812 393060521 /nfs/dbraw/zinc/06/05/21/393060521.db2.gz QZZJXAUXDJNNSF-USXIJHARSA-N 1 3 260.425 3.300 20 0 CGADHO CCC[C@H](CN[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000414952812 393060528 /nfs/dbraw/zinc/06/05/28/393060528.db2.gz QZZJXAUXDJNNSF-USXIJHARSA-N 1 3 260.425 3.300 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000414988267 393081030 /nfs/dbraw/zinc/08/10/30/393081030.db2.gz ZMULKQTUELGUMN-KRWDZBQOSA-N 1 3 254.377 3.181 20 0 CGADHO [NH3+]C[C@H]1CC[C@H](NCc2ccc(F)c(Cl)c2Cl)C1 ZINC000415047854 393112893 /nfs/dbraw/zinc/11/28/93/393112893.db2.gz WJRNRNWAVCFGFM-WPRPVWTQSA-N 1 3 291.197 3.350 20 0 CGADHO CCc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415055847 393117827 /nfs/dbraw/zinc/11/78/27/393117827.db2.gz RKUKDZMSCARXRP-ROUUACIJSA-N 1 3 272.436 3.213 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415069178 393128153 /nfs/dbraw/zinc/12/81/53/393128153.db2.gz OFWGVTNPARGPGL-IRXDYDNUSA-N 1 3 276.399 3.194 20 0 CGADHO COc1cccc(F)c1[C@H](C)NC1CCC(C[NH3+])CC1 ZINC000415078132 393132304 /nfs/dbraw/zinc/13/23/04/393132304.db2.gz ILGCHBVMDBKIJK-HIFPTAJRSA-N 1 3 280.387 3.002 20 0 CGADHO c1ccc(C[C@@H]2CCCC[C@@H]2N[C@@H]2CCC[NH2+]C2)cc1 ZINC000415083345 393136844 /nfs/dbraw/zinc/13/68/44/393136844.db2.gz PUDYRELFTZSBQY-KSZLIROESA-N 1 3 272.436 3.130 20 0 CGADHO [NH3+]CCCN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000415086050 393138633 /nfs/dbraw/zinc/13/86/33/393138633.db2.gz ROSLMBTVCWNTRN-AWEZNQCLSA-N 1 3 297.240 3.229 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000261957375 393143255 /nfs/dbraw/zinc/14/32/55/393143255.db2.gz OUDQNOSVFRAZQZ-PBHICJAKSA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000261957375 393143258 /nfs/dbraw/zinc/14/32/58/393143258.db2.gz OUDQNOSVFRAZQZ-PBHICJAKSA-N 1 3 278.415 3.454 20 0 CGADHO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000261957375 393143265 /nfs/dbraw/zinc/14/32/65/393143265.db2.gz OUDQNOSVFRAZQZ-PBHICJAKSA-N 1 3 278.415 3.454 20 0 CGADHO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)N)s2)cc1 ZINC000415121750 393150495 /nfs/dbraw/zinc/15/04/95/393150495.db2.gz ZNBZZSJELDLOAU-UHFFFAOYSA-N 1 3 290.432 3.251 20 0 CGADHO C[C@H]1CCN(Cc2cccc(-c3cccnc3)c2)C[C@@H]1C[NH3+] ZINC000415120572 393151367 /nfs/dbraw/zinc/15/13/67/393151367.db2.gz GLPLOFUSQQQCKB-KXBFYZLASA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H]1CCN(Cc2cc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000415124435 393151425 /nfs/dbraw/zinc/15/14/25/393151425.db2.gz KFCPDGOWVAIWSX-JSGCOSHPSA-N 1 3 274.433 3.318 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000488301024 393482992 /nfs/dbraw/zinc/48/29/92/393482992.db2.gz VBBGYNDKNRGFSF-IKGGRYGDSA-N 1 3 264.457 3.230 20 0 CGADHO C[C@@H]1C[C@H]1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000488301530 393483015 /nfs/dbraw/zinc/48/30/15/393483015.db2.gz QRQUBEPDDAFXAR-IKGGRYGDSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301530 393483020 /nfs/dbraw/zinc/48/30/20/393483020.db2.gz QRQUBEPDDAFXAR-IKGGRYGDSA-N 1 3 264.457 3.086 20 0 CGADHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000488301530 393483030 /nfs/dbraw/zinc/48/30/30/393483030.db2.gz QRQUBEPDDAFXAR-IKGGRYGDSA-N 1 3 264.457 3.086 20 0 CGADHO CSc1ccccc1CN1CCCC[C@H]1CC[NH3+] ZINC000420324084 393467502 /nfs/dbraw/zinc/46/75/02/393467502.db2.gz YXTGJNBYKZUSRW-AWEZNQCLSA-N 1 3 264.438 3.112 20 0 CGADHO Fc1ccc(Cl)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333384 393469509 /nfs/dbraw/zinc/46/95/09/393469509.db2.gz SSZKSGQWRDTVGW-CHWSQXEVSA-N 1 3 296.817 3.301 20 0 CGADHO Cc1cc(C)c(C[NH2+][C@@H]2CCNCC2(C)C)c(C)c1 ZINC000420353085 393471586 /nfs/dbraw/zinc/47/15/86/393471586.db2.gz BIIXSSGQELHFTJ-MRXNPFEDSA-N 1 3 260.425 3.090 20 0 CGADHO [NH3+]C[C@@H](NCCOC1CCCCCC1)C1CCCCC1 ZINC000420361170 393474875 /nfs/dbraw/zinc/47/48/75/393474875.db2.gz HXEFGSCRFVTKCV-QGZVFWFLSA-N 1 3 282.472 3.223 20 0 CGADHO Clc1ccc([C@@H](NC[C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000420404557 393484039 /nfs/dbraw/zinc/48/40/39/393484039.db2.gz MDKMZWHASVPVNO-WBMJQRKESA-N 1 3 278.827 3.380 20 0 CGADHO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000420378788 393478494 /nfs/dbraw/zinc/47/84/94/393478494.db2.gz XFZYGBLMHPMXQY-UHIISALHSA-N 1 3 268.351 3.100 20 0 CGADHO C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC1CCCCCC1 ZINC000420409980 393484870 /nfs/dbraw/zinc/48/48/70/393484870.db2.gz XUGYFRKEGOMESO-AEFFLSMTSA-N 1 3 294.483 3.190 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419662 393505967 /nfs/dbraw/zinc/50/59/67/393505967.db2.gz HIEIOKRISUPWRV-RBSFLKMASA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419662 393505969 /nfs/dbraw/zinc/50/59/69/393505969.db2.gz HIEIOKRISUPWRV-RBSFLKMASA-N 1 3 284.513 3.228 20 0 CGADHO CCC[N@H+]1CC[C@H](CN[C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488419662 393505972 /nfs/dbraw/zinc/50/59/72/393505972.db2.gz HIEIOKRISUPWRV-RBSFLKMASA-N 1 3 284.513 3.228 20 0 CGADHO CO[C@H](C)CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358672455 393527534 /nfs/dbraw/zinc/52/75/34/393527534.db2.gz ZOSGQKNHIGKULA-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO CO[C@H](C)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358672455 393527544 /nfs/dbraw/zinc/52/75/44/393527544.db2.gz ZOSGQKNHIGKULA-ZMSDIMECSA-N 1 3 282.472 3.044 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770347 542814596 /nfs/dbraw/zinc/81/45/96/542814596.db2.gz VVORZKNXOQXMQC-ULQDDVLXSA-N 1 3 258.409 3.054 20 0 CGADHO C[C@H](NCc1ccccc1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000666774160 542814726 /nfs/dbraw/zinc/81/47/26/542814726.db2.gz JDFDTLDHKDXPAF-DZGCQCFKSA-N 1 3 258.409 3.042 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000430620123 393581656 /nfs/dbraw/zinc/58/16/56/393581656.db2.gz HHDBYAMSPYIAPN-KRWDZBQOSA-N 1 3 282.431 3.314 20 0 CGADHO C[C@H]1CC(CCN(C)C2CC[NH2+]CC2)C[C@H](C)C1 ZINC000430635271 393582925 /nfs/dbraw/zinc/58/29/25/393582925.db2.gz GLDYPERSCWYQCZ-ZIAGYGMSSA-N 1 3 252.446 3.133 20 0 CGADHO Cc1cccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432414455 393610771 /nfs/dbraw/zinc/61/07/71/393610771.db2.gz KTEWITBHUBRWBC-IAGOWNOFSA-N 1 3 290.451 3.147 20 0 CGADHO Cc1cccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432414455 393610777 /nfs/dbraw/zinc/61/07/77/393610777.db2.gz KTEWITBHUBRWBC-IAGOWNOFSA-N 1 3 290.451 3.147 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000432789544 393639135 /nfs/dbraw/zinc/63/91/35/393639135.db2.gz STWMLTSHRAFRSR-ZWKOTPCHSA-N 1 3 296.499 3.293 20 0 CGADHO CCc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422752897 393642504 /nfs/dbraw/zinc/64/25/04/393642504.db2.gz HUAJORGDZWJAIO-OTWHNJEPSA-N 1 3 286.463 3.302 20 0 CGADHO CC[C@H](N[C@@H]1CCO[C@H](CC(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000423039627 393649156 /nfs/dbraw/zinc/64/91/56/393649156.db2.gz FTIJWAGOIOUAKQ-WCXIOVBPSA-N 1 3 282.472 3.090 20 0 CGADHO CC[NH+]1CCC(NCc2ccc3c(c2)CCCC3)CC1 ZINC000490642737 393649339 /nfs/dbraw/zinc/64/93/39/393649339.db2.gz GIDYQWSOEIWHCZ-UHFFFAOYSA-N 1 3 272.436 3.139 20 0 CGADHO CC[C@@H](NC[C@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423132876 393651961 /nfs/dbraw/zinc/65/19/61/393651961.db2.gz PPWIJJBUQLWGOD-MJBXVCDLSA-N 1 3 274.399 3.322 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCCN1 ZINC000423132876 393651964 /nfs/dbraw/zinc/65/19/64/393651964.db2.gz PPWIJJBUQLWGOD-MJBXVCDLSA-N 1 3 274.399 3.322 20 0 CGADHO C[C@H](N)CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423226128 393654954 /nfs/dbraw/zinc/65/49/54/393654954.db2.gz PNAYUFFXGDPMKG-JYBOHDQNSA-N 1 3 266.351 3.071 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423264868 393657315 /nfs/dbraw/zinc/65/73/15/393657315.db2.gz CJGKQCQFQHDXPS-XHSDSOJGSA-N 1 3 260.425 3.142 20 0 CGADHO CC[C@H](CSc1ccc(Cl)cc1)NCC1C[NH2+]C1 ZINC000423305299 393660385 /nfs/dbraw/zinc/66/03/85/393660385.db2.gz QMNUWHPSQHIDME-CYBMUJFWSA-N 1 3 284.856 3.020 20 0 CGADHO CC1(C)C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423404831 393665403 /nfs/dbraw/zinc/66/54/03/393665403.db2.gz XTWAYADZJYCNJZ-WWGRRREGSA-N 1 3 258.409 3.269 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423457898 393668445 /nfs/dbraw/zinc/66/84/45/393668445.db2.gz GHZLUZHMXFIVNJ-TZMCWYRMSA-N 1 3 297.240 3.153 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423457895 393668552 /nfs/dbraw/zinc/66/85/52/393668552.db2.gz GHZLUZHMXFIVNJ-GXTWGEPZSA-N 1 3 297.240 3.153 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000423457817 393668579 /nfs/dbraw/zinc/66/85/79/393668579.db2.gz GBGOGQARRLXILQ-RHSMWYFYSA-N 1 3 276.424 3.253 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000433234992 393701558 /nfs/dbraw/zinc/70/15/58/393701558.db2.gz UIQDFLCXZQPVRV-KBPBESRZSA-N 1 3 264.457 3.418 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443676843 393770164 /nfs/dbraw/zinc/77/01/64/393770164.db2.gz VPEWKMFDJKEEOZ-HZPDHXFCSA-N 1 3 295.430 3.258 20 0 CGADHO CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000443676843 393770167 /nfs/dbraw/zinc/77/01/67/393770167.db2.gz VPEWKMFDJKEEOZ-HZPDHXFCSA-N 1 3 295.430 3.258 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCSC2CCCCC2)CC[N@@H+]1C ZINC000500092702 393816581 /nfs/dbraw/zinc/81/65/81/393816581.db2.gz PVHICFPFJNVZCH-CABCVRRESA-N 1 3 284.513 3.467 20 0 CGADHO C[C@@H]1C[C@@H](N(C)CCSC2CCCCC2)CC[N@H+]1C ZINC000500092702 393816584 /nfs/dbraw/zinc/81/65/84/393816584.db2.gz PVHICFPFJNVZCH-CABCVRRESA-N 1 3 284.513 3.467 20 0 CGADHO CC[C@@H]1CCCC[C@H]1[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000502032578 393867563 /nfs/dbraw/zinc/86/75/63/393867563.db2.gz MAFZVMGCVBIWRQ-XMTFNYHQSA-N 1 3 296.499 3.434 20 0 CGADHO CN(CC[C@@H]1CCC[N@@H+]1C)CCC1CCCCC1 ZINC000502692614 393882960 /nfs/dbraw/zinc/88/29/60/393882960.db2.gz DBAWXQGAVWKDAS-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CN(CC[C@@H]1CCC[N@H+]1C)CCC1CCCCC1 ZINC000502692614 393882963 /nfs/dbraw/zinc/88/29/63/393882963.db2.gz DBAWXQGAVWKDAS-INIZCTEOSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995191 542832197 /nfs/dbraw/zinc/83/21/97/542832197.db2.gz FSFWFLLDPNQOJB-GJZGRUSLSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995196 542832669 /nfs/dbraw/zinc/83/26/69/542832669.db2.gz FVEXZVMNBKOVOJ-DZGCQCFKSA-N 1 3 278.465 3.334 20 0 CGADHO C[C@@H](CCc1ccsc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995196 542832671 /nfs/dbraw/zinc/83/26/71/542832671.db2.gz FVEXZVMNBKOVOJ-DZGCQCFKSA-N 1 3 278.465 3.334 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995193 542833055 /nfs/dbraw/zinc/83/30/55/542833055.db2.gz FSFWFLLDPNQOJB-LSDHHAIUSA-N 1 3 252.446 3.466 20 0 CGADHO COc1ccc([C@@H](C)C[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666996769 542833987 /nfs/dbraw/zinc/83/39/87/542833987.db2.gz FGTWSTVXRWFLFO-GOEBONIOSA-N 1 3 288.435 3.063 20 0 CGADHO COc1ccc([C@@H](C)CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666996769 542833989 /nfs/dbraw/zinc/83/39/89/542833989.db2.gz FGTWSTVXRWFLFO-GOEBONIOSA-N 1 3 288.435 3.063 20 0 CGADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3COCC3(C)C)CC2)C1 ZINC000449623181 393924531 /nfs/dbraw/zinc/92/45/31/393924531.db2.gz HSIBGOAPRPRLJM-PVAVHDDUSA-N 1 3 294.483 3.044 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000271501620 135098966 /nfs/dbraw/zinc/09/89/66/135098966.db2.gz LVBQFFIEARWAOD-KRWDZBQOSA-N 1 3 273.424 3.076 20 0 CGADHO c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)ccn1 ZINC000667923753 542945482 /nfs/dbraw/zinc/94/54/82/542945482.db2.gz VCQJBZZLZFHJLT-BPQIPLTHSA-N 1 3 285.435 3.076 20 0 CGADHO CC(C)(C)CC[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000668818357 543066611 /nfs/dbraw/zinc/06/66/11/543066611.db2.gz GTFBVBUWFLOUTG-OAHLLOKOSA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](C[N@@H+]1CCCC12CCN(C)CC2)C(C)(C)C ZINC000670269884 543150358 /nfs/dbraw/zinc/15/03/58/543150358.db2.gz VFQRYRSPBUHFEW-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO C[C@H](C[N@H+]1CCCC12CCN(C)CC2)C(C)(C)C ZINC000670269884 543150360 /nfs/dbraw/zinc/15/03/60/543150360.db2.gz VFQRYRSPBUHFEW-CQSZACIVSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000671744498 543184222 /nfs/dbraw/zinc/18/42/22/543184222.db2.gz CVMGAJYEJVGBHM-IAGOWNOFSA-N 1 3 290.451 3.151 20 0 CGADHO Cc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C(C)C)s1 ZINC000226437155 292098940 /nfs/dbraw/zinc/09/89/40/292098940.db2.gz IICBHMXAQKJNQK-CQSZACIVSA-N 1 3 266.454 3.267 20 0 CGADHO Cc1ccc(C[N@@H+](C[C@@H]2CCCNC2)C(C)C)s1 ZINC000226437155 292098942 /nfs/dbraw/zinc/09/89/42/292098942.db2.gz IICBHMXAQKJNQK-CQSZACIVSA-N 1 3 266.454 3.267 20 0 CGADHO Cc1ccc(C[N@H+](C[C@@H]2CCCNC2)C(C)C)s1 ZINC000226437155 292098943 /nfs/dbraw/zinc/09/89/43/292098943.db2.gz IICBHMXAQKJNQK-CQSZACIVSA-N 1 3 266.454 3.267 20 0 CGADHO c1ccc(CCCN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917990 397609915 /nfs/dbraw/zinc/60/99/15/397609915.db2.gz LRJCWWRIHWOPER-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000226171913 397667667 /nfs/dbraw/zinc/66/76/67/397667667.db2.gz HVFZADSZKFZIRP-RVKKMQEKSA-N 1 3 287.451 3.465 20 0 CGADHO CC[C@H]1CN(Cc2ccc(OC)c3ccccc23)CC[C@@H]1[NH3+] ZINC000387515894 397690294 /nfs/dbraw/zinc/69/02/94/397690294.db2.gz OVJNUUUDAUHQGX-KSSFIOAISA-N 1 3 298.430 3.408 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@H](C)CN(C)C)C2CC2)cc1 ZINC000388908524 397690743 /nfs/dbraw/zinc/69/07/43/397690743.db2.gz MRGVAKAYNAKOMC-YOEHRIQHSA-N 1 3 260.425 3.233 20 0 CGADHO Cc1ccc([C@H](NC[C@H](C)C[NH+](C)C)C2CC2)cc1 ZINC000388908524 397690745 /nfs/dbraw/zinc/69/07/45/397690745.db2.gz MRGVAKAYNAKOMC-YOEHRIQHSA-N 1 3 260.425 3.233 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CC2CCC1CC2 ZINC000394388671 397695178 /nfs/dbraw/zinc/69/51/78/397695178.db2.gz ZCHCJSVPRYWIKO-VXLLPVPCSA-N 1 3 264.457 3.277 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CNCc2cccc3c2CCC3)cc1 ZINC000650703641 397897664 /nfs/dbraw/zinc/89/76/64/397897664.db2.gz JXQCDBYDQWSGTJ-CQSZACIVSA-N 1 3 280.415 3.485 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1CCN ZINC000650711969 397899233 /nfs/dbraw/zinc/89/92/33/397899233.db2.gz LDALYAPEMOAZMM-UBDQQSCGSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)[C@H]1CCN ZINC000650711969 397899235 /nfs/dbraw/zinc/89/92/35/397899235.db2.gz LDALYAPEMOAZMM-UBDQQSCGSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1CCCN(Cc2ccc3cnccc3c2)[C@H]1CC[NH3+] ZINC000650712250 397899743 /nfs/dbraw/zinc/89/97/43/397899743.db2.gz XTIXLJBKTIUVNN-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)[C@H]1CCN ZINC000650712250 397899745 /nfs/dbraw/zinc/89/97/45/397899745.db2.gz XTIXLJBKTIUVNN-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)[C@H]1CCN ZINC000650712250 397899747 /nfs/dbraw/zinc/89/97/47/397899747.db2.gz XTIXLJBKTIUVNN-KDOFPFPSSA-N 1 3 283.419 3.184 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC2 ZINC000650715358 397900171 /nfs/dbraw/zinc/90/01/71/397900171.db2.gz ZGGQBGKGZUZIIU-QXCFHYIPSA-N 1 3 284.447 3.493 20 0 CGADHO CCCOc1ccc(CNCc2ccccc2C[NH2+]C)cc1 ZINC000650718422 397901486 /nfs/dbraw/zinc/90/14/86/397901486.db2.gz LTTJZQHSNFSCND-UHFFFAOYSA-N 1 3 298.430 3.485 20 0 CGADHO C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000675925812 543374175 /nfs/dbraw/zinc/37/41/75/543374175.db2.gz FASDTZKBCIYWSW-HOTGVXAUSA-N 1 3 294.483 3.188 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000677241159 543441428 /nfs/dbraw/zinc/44/14/28/543441428.db2.gz MNHZRKXYUGPOJZ-LTIDMASMSA-N 1 3 294.483 3.187 20 0 CGADHO CCCCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000677241159 543441429 /nfs/dbraw/zinc/44/14/29/543441429.db2.gz MNHZRKXYUGPOJZ-LTIDMASMSA-N 1 3 294.483 3.187 20 0 CGADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000678140908 543487648 /nfs/dbraw/zinc/48/76/48/543487648.db2.gz VVGNEEWPAMXZFT-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)C1CCCC1 ZINC000678140908 543487650 /nfs/dbraw/zinc/48/76/50/543487650.db2.gz VVGNEEWPAMXZFT-UHFFFAOYSA-N 1 3 290.451 3.392 20 0 CGADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423394334 286023499 /nfs/dbraw/zinc/02/34/99/286023499.db2.gz RFVLZGCQVIVMLG-KUHUBIRLSA-N 1 3 296.414 3.156 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CCC[C@@H]1C[NH3+] ZINC000423279241 286386643 /nfs/dbraw/zinc/38/66/43/286386643.db2.gz RXLBQGJHDHEPJX-DQYPLSBCSA-N 1 3 288.435 3.135 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCCC2)C12CCC2 ZINC000250526614 286389864 /nfs/dbraw/zinc/38/98/64/286389864.db2.gz QYNJWQWWWIGFEL-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@@H]1C[C@H](NC[C@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000250526614 286389866 /nfs/dbraw/zinc/38/98/66/286389866.db2.gz QYNJWQWWWIGFEL-YESZJQIVSA-N 1 3 294.483 3.046 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423160029 287028400 /nfs/dbraw/zinc/02/84/00/287028400.db2.gz QHOMPIALHQCCIX-KLHDSHLOSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H]([NH2+]CCCNC1CC1)C(C)(C)c1ccccc1 ZINC000423533558 287026152 /nfs/dbraw/zinc/02/61/52/287026152.db2.gz XVOCJUJVCOKRIN-CQSZACIVSA-N 1 3 260.425 3.084 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459223 287065823 /nfs/dbraw/zinc/06/58/23/287065823.db2.gz JBFSWRGNGXNEPJ-LSDHHAIUSA-N 1 3 252.446 3.419 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081624026 287075543 /nfs/dbraw/zinc/07/55/43/287075543.db2.gz YRAIEOXGLHOECT-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383685 165294534 /nfs/dbraw/zinc/29/45/34/165294534.db2.gz ACFZTAZEZNYTSA-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383685 165294538 /nfs/dbraw/zinc/29/45/38/165294538.db2.gz ACFZTAZEZNYTSA-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(OC)cc32)C1 ZINC000092383685 165294543 /nfs/dbraw/zinc/29/45/43/165294543.db2.gz ACFZTAZEZNYTSA-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CCc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093461638 165329015 /nfs/dbraw/zinc/32/90/15/165329015.db2.gz DGJREHZYNUWBJG-OKZBNKHCSA-N 1 3 272.436 3.259 20 0 CGADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccs1 ZINC000093496097 165329554 /nfs/dbraw/zinc/32/95/54/165329554.db2.gz BIHANFIBBCIQJS-ZIAGYGMSSA-N 1 3 266.454 3.191 20 0 CGADHO Cc1cc(F)ccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000094950918 165396029 /nfs/dbraw/zinc/39/60/29/165396029.db2.gz DYXCBLWUCKWWIH-KSZLIROESA-N 1 3 290.426 3.187 20 0 CGADHO C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C(C)(C)C ZINC000122378733 287209205 /nfs/dbraw/zinc/20/92/05/287209205.db2.gz KLTCZKIYPCHXIS-AWEZNQCLSA-N 1 3 278.440 3.151 20 0 CGADHO Cc1ccccc1C[NH2+]CCCN1CCC(C)CC1 ZINC000021816038 171332655 /nfs/dbraw/zinc/33/26/55/171332655.db2.gz JHCGBRFIDPGUOC-UHFFFAOYSA-N 1 3 260.425 3.207 20 0 CGADHO CC(C)[C@@H]([NH2+]CCCN1CCCC1)c1ccccc1 ZINC000037229610 173049747 /nfs/dbraw/zinc/04/97/47/173049747.db2.gz AUBMUPFGQCTSRX-QGZVFWFLSA-N 1 3 260.425 3.459 20 0 CGADHO CC(C)[C@@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000037229610 173049749 /nfs/dbraw/zinc/04/97/49/173049749.db2.gz AUBMUPFGQCTSRX-QGZVFWFLSA-N 1 3 260.425 3.459 20 0 CGADHO c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037408224 173185022 /nfs/dbraw/zinc/18/50/22/173185022.db2.gz CSPVNVZAFZKODR-HNNXBMFYSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2c(c1)cccc2CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408224 173185025 /nfs/dbraw/zinc/18/50/25/173185025.db2.gz CSPVNVZAFZKODR-HNNXBMFYSA-N 1 3 280.415 3.414 20 0 CGADHO c1ccc2c(c1)cccc2CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408224 173185026 /nfs/dbraw/zinc/18/50/26/173185026.db2.gz CSPVNVZAFZKODR-HNNXBMFYSA-N 1 3 280.415 3.414 20 0 CGADHO CN1CCC(C[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000127061053 287279187 /nfs/dbraw/zinc/27/91/87/287279187.db2.gz OQVAJBNHMALKGJ-UHFFFAOYSA-N 1 3 280.481 3.477 20 0 CGADHO CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000038097923 174112159 /nfs/dbraw/zinc/11/21/59/174112159.db2.gz FOZMVTYZHXNZGS-MRXNPFEDSA-N 1 3 264.388 3.351 20 0 CGADHO CC[NH+]1CCC(N[C@H](C)c2ccc(C)s2)CC1 ZINC000038097987 174112773 /nfs/dbraw/zinc/11/27/73/174112773.db2.gz RNBZNGCYVFPZAQ-GFCCVEGCSA-N 1 3 252.427 3.191 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(Cl)cc1 ZINC000043326205 175007731 /nfs/dbraw/zinc/00/77/31/175007731.db2.gz JSQMSSHSUNUXLM-KGLIPLIRSA-N 1 3 252.789 3.133 20 0 CGADHO CC[C@@H](c1ccc(Cl)cc1)N1CCC(C[NH3+])CC1 ZINC000044511723 175187929 /nfs/dbraw/zinc/18/79/29/175187929.db2.gz CFBXDKPAXYXCPE-HNNXBMFYSA-N 1 3 266.816 3.462 20 0 CGADHO C[C@H](C[NH2+]Cc1cccc2[nH]ccc21)CN1CCCCC1 ZINC000070938953 176013554 /nfs/dbraw/zinc/01/35/54/176013554.db2.gz FWTWPLTZJRHYAL-OAHLLOKOSA-N 1 3 285.435 3.380 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1CC2CCC1CC2 ZINC000400174458 416545359 /nfs/dbraw/zinc/54/53/59/416545359.db2.gz OYRWNITZXFXWHD-LMNGEROHSA-N 1 3 262.441 3.029 20 0 CGADHO C[C@H]1CCC[N@H+](Cc2cccc3cccnc32)[C@H]1CCN ZINC000404360274 416552220 /nfs/dbraw/zinc/55/22/20/416552220.db2.gz DWTVWXCJMWCRKX-YOEHRIQHSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@H]1CCN ZINC000404360274 416552224 /nfs/dbraw/zinc/55/22/24/416552224.db2.gz DWTVWXCJMWCRKX-YOEHRIQHSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@H]1CCCN(Cc2cccc3cccnc32)[C@H]1CC[NH3+] ZINC000404360274 416552229 /nfs/dbraw/zinc/55/22/29/416552229.db2.gz DWTVWXCJMWCRKX-YOEHRIQHSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)[C@H]1CCN ZINC000404382759 416553952 /nfs/dbraw/zinc/55/39/52/416553952.db2.gz NDUBHOUNGPXMAT-INMHGKMJSA-N 1 3 288.435 3.002 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)[C@H]1CCN ZINC000404382759 416553956 /nfs/dbraw/zinc/55/39/56/416553956.db2.gz NDUBHOUNGPXMAT-INMHGKMJSA-N 1 3 288.435 3.002 20 0 CGADHO CC[C@H]1CN(CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122778450 416506128 /nfs/dbraw/zinc/50/61/28/416506128.db2.gz BAHURDVINLJHMJ-BBRMVZONSA-N 1 3 296.842 3.168 20 0 CGADHO CC[N@H+](C)Cc1cccc(CNCc2ccc(O)cc2)c1 ZINC000679392555 543632921 /nfs/dbraw/zinc/63/29/21/543632921.db2.gz BGLUCVQLBIILMI-UHFFFAOYSA-N 1 3 284.403 3.134 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(O)cc2)c1 ZINC000679392555 543632923 /nfs/dbraw/zinc/63/29/23/543632923.db2.gz BGLUCVQLBIILMI-UHFFFAOYSA-N 1 3 284.403 3.134 20 0 CGADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000683205599 543904109 /nfs/dbraw/zinc/90/41/09/543904109.db2.gz KLSCYZIVSKVTGN-QGZVFWFLSA-N 1 3 288.435 3.049 20 0 CGADHO c1c2ccccc2[nH]c1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000683926712 543954005 /nfs/dbraw/zinc/95/40/05/543954005.db2.gz KIWIHHPLCLYDDC-UHFFFAOYSA-N 1 3 283.419 3.274 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470837 544079130 /nfs/dbraw/zinc/07/91/30/544079130.db2.gz VBDQRDPAEMSPLC-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470837 544079131 /nfs/dbraw/zinc/07/91/31/544079131.db2.gz VBDQRDPAEMSPLC-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470837 544079133 /nfs/dbraw/zinc/07/91/33/544079133.db2.gz VBDQRDPAEMSPLC-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470837 544079134 /nfs/dbraw/zinc/07/91/34/544079134.db2.gz VBDQRDPAEMSPLC-RBUKOAKNSA-N 1 3 295.430 3.151 20 0 CGADHO COc1cccc(C2(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000658323473 418935298 /nfs/dbraw/zinc/93/52/98/418935298.db2.gz LWKNKQNMYJRNCZ-GOEBONIOSA-N 1 3 288.435 3.147 20 0 CGADHO COc1cccc(C2(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)c1 ZINC000658323473 418935299 /nfs/dbraw/zinc/93/52/99/418935299.db2.gz LWKNKQNMYJRNCZ-GOEBONIOSA-N 1 3 288.435 3.147 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc3ccsc32)CC[N@@H+]1C ZINC000652220095 418936726 /nfs/dbraw/zinc/93/67/26/418936726.db2.gz UMKNYSWWFFMRNH-DOMZBBRYSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cccc3ccsc32)CC[N@H+]1C ZINC000652220095 418936729 /nfs/dbraw/zinc/93/67/29/418936729.db2.gz UMKNYSWWFFMRNH-DOMZBBRYSA-N 1 3 274.433 3.474 20 0 CGADHO CO[C@@H](CNC1CC[NH+](CC(C)C)CC1)C1CCCCC1 ZINC000658331709 418939475 /nfs/dbraw/zinc/93/94/75/418939475.db2.gz YOYPZWNQWSDDSF-SFHVURJKSA-N 1 3 296.499 3.292 20 0 CGADHO CO[C@@H](CN(C)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000659869646 419022210 /nfs/dbraw/zinc/02/22/10/419022210.db2.gz YCPWDMCWQUHYKJ-SFHVURJKSA-N 1 3 296.499 3.386 20 0 CGADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCCCOc1ccccc1 ZINC000653279960 419023395 /nfs/dbraw/zinc/02/33/95/419023395.db2.gz PHMYBRPIILZKGT-HOTGVXAUSA-N 1 3 276.424 3.047 20 0 CGADHO CC[NH+](CC)C[C@H]1CCN(C[C@H](OC)C2CCCCC2)C1 ZINC000659975449 419050727 /nfs/dbraw/zinc/05/07/27/419050727.db2.gz LOOXXPABHIBOIR-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659975449 419050732 /nfs/dbraw/zinc/05/07/32/419050732.db2.gz LOOXXPABHIBOIR-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000659975449 419050735 /nfs/dbraw/zinc/05/07/35/419050735.db2.gz LOOXXPABHIBOIR-AEFFLSMTSA-N 1 3 296.499 3.245 20 0 CGADHO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665236302 419086561 /nfs/dbraw/zinc/08/65/61/419086561.db2.gz JZLAWSMYWSYPRN-YPMHNXCESA-N 1 3 263.429 3.324 20 0 CGADHO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665236300 419087354 /nfs/dbraw/zinc/08/73/54/419087354.db2.gz JZLAWSMYWSYPRN-DGCLKSJQSA-N 1 3 263.429 3.324 20 0 CGADHO CSc1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280817 419101676 /nfs/dbraw/zinc/10/16/76/419101676.db2.gz MITHNZFJOHLPBU-IUODEOHRSA-N 1 3 266.454 3.433 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1ccc(Br)cc1 ZINC000665279549 419102136 /nfs/dbraw/zinc/10/21/36/419102136.db2.gz FXIMKYYVWZGXDU-SMDDNHRTSA-N 1 3 299.256 3.473 20 0 CGADHO COc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000665281493 419102433 /nfs/dbraw/zinc/10/24/33/419102433.db2.gz FEKUJYJBRJSVLN-DZGCQCFKSA-N 1 3 294.439 3.036 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2N[C@H]1CCC[C@H]1C[NH3+] ZINC000665283282 419103406 /nfs/dbraw/zinc/10/34/06/419103406.db2.gz KQHZTVOZVGJNMX-JQFCIGGWSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1CN ZINC000665283282 419103411 /nfs/dbraw/zinc/10/34/11/419103411.db2.gz KQHZTVOZVGJNMX-JQFCIGGWSA-N 1 3 258.409 3.089 20 0 CGADHO CC1(C)C[C@]1(C[NH2+][C@H]1CCC[C@H]1CN)c1ccccc1 ZINC000665299252 419110893 /nfs/dbraw/zinc/11/08/93/419110893.db2.gz JISZWEYGWXVPKE-ZVZYQTTQSA-N 1 3 272.436 3.071 20 0 CGADHO CC[C@H](NCC(C)(C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665301017 419111772 /nfs/dbraw/zinc/11/17/72/419111772.db2.gz MPDFJRPGWNOSPS-QWRGUYRKSA-N 1 3 266.351 3.085 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1CCCN1 ZINC000665301017 419111774 /nfs/dbraw/zinc/11/17/74/419111774.db2.gz MPDFJRPGWNOSPS-QWRGUYRKSA-N 1 3 266.351 3.085 20 0 CGADHO C[C@H]([NH2+]CC1CC=CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000660255484 419115061 /nfs/dbraw/zinc/11/50/61/419115061.db2.gz BUBLOYUXUYLGGN-HOCLYGCPSA-N 1 3 262.441 3.195 20 0 CGADHO CC(C)[NH+](CCCN[C@@H]1CC[C@H](C)SC1)C(C)C ZINC000655717915 419075896 /nfs/dbraw/zinc/07/58/96/419075896.db2.gz GAKOHKQHQNCLRM-LSDHHAIUSA-N 1 3 272.502 3.369 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196680 419149198 /nfs/dbraw/zinc/14/91/98/419149198.db2.gz ACECFHBAPCJEFQ-GJZGRUSLSA-N 1 3 278.827 3.231 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196680 419149199 /nfs/dbraw/zinc/14/91/99/419149199.db2.gz ACECFHBAPCJEFQ-GJZGRUSLSA-N 1 3 278.827 3.231 20 0 CGADHO COC(C)(C)CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674612 419181030 /nfs/dbraw/zinc/18/10/30/419181030.db2.gz BDVQCTXJBIYSNC-UHFFFAOYSA-N 1 3 290.451 3.056 20 0 CGADHO CCCN1CCC([NH2+]Cc2ccc(OCC)cc2C)CC1 ZINC000657294480 419244350 /nfs/dbraw/zinc/24/43/50/419244350.db2.gz REUKENIHTJTIIT-UHFFFAOYSA-N 1 3 290.451 3.358 20 0 CGADHO CCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)c(C)c1 ZINC000657294281 419244870 /nfs/dbraw/zinc/24/48/70/419244870.db2.gz LFRFXJYAQKIEAA-UHFFFAOYSA-N 1 3 290.451 3.356 20 0 CGADHO Cc1ccc2cc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)[nH]c2c1 ZINC000657307296 419247601 /nfs/dbraw/zinc/24/76/01/419247601.db2.gz MZUBKJHHCWZRMU-AWEZNQCLSA-N 1 3 283.419 3.050 20 0 CGADHO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC1(F)F ZINC000666227925 419200202 /nfs/dbraw/zinc/20/02/02/419200202.db2.gz LFPPCZDCUFIRPN-WFASDCNBSA-N 1 3 286.410 3.417 20 0 CGADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)[C@@H]1CC1(F)F ZINC000666227925 419200204 /nfs/dbraw/zinc/20/02/04/419200204.db2.gz LFPPCZDCUFIRPN-WFASDCNBSA-N 1 3 286.410 3.417 20 0 CGADHO Fc1cccc(F)c1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784738 419217892 /nfs/dbraw/zinc/21/78/92/419217892.db2.gz GRTDWDNFHQBXJV-AWEZNQCLSA-N 1 3 294.389 3.176 20 0 CGADHO C[N@@H+]1CCCC[C@H]1CCN1CCC([C@@H]2CCCCO2)CC1 ZINC000661870027 419309345 /nfs/dbraw/zinc/30/93/45/419309345.db2.gz BCAOIFNRIZWRQV-ROUUACIJSA-N 1 3 294.483 3.142 20 0 CGADHO C[N@H+]1CCCC[C@H]1CCN1CCC([C@@H]2CCCCO2)CC1 ZINC000661870027 419309347 /nfs/dbraw/zinc/30/93/47/419309347.db2.gz BCAOIFNRIZWRQV-ROUUACIJSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)[C@H](C)C2 ZINC000657698762 419329601 /nfs/dbraw/zinc/32/96/01/419329601.db2.gz YLSCNKICACSFBR-NWGLXNPWSA-N 1 3 284.447 3.445 20 0 CGADHO Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)[C@H](C)C2 ZINC000657698762 419329602 /nfs/dbraw/zinc/32/96/02/419329602.db2.gz YLSCNKICACSFBR-NWGLXNPWSA-N 1 3 284.447 3.445 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662244474 419372020 /nfs/dbraw/zinc/37/20/20/419372020.db2.gz HEBCUIPYKTTWSW-UAGQMJEPSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662244474 419372026 /nfs/dbraw/zinc/37/20/26/419372026.db2.gz HEBCUIPYKTTWSW-UAGQMJEPSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(CC[C@H]2CCc3ccccc32)C1 ZINC000662244474 419372029 /nfs/dbraw/zinc/37/20/29/419372029.db2.gz HEBCUIPYKTTWSW-UAGQMJEPSA-N 1 3 272.436 3.166 20 0 CGADHO c1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c2c(c1)CNCC2 ZINC000662258213 419372146 /nfs/dbraw/zinc/37/21/46/419372146.db2.gz SPOMJJFXDHJTRS-GOSISDBHSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc(C[N@H+]2CCC[C@@H]2C2CCC2)c2c(c1)CNCC2 ZINC000662258213 419372149 /nfs/dbraw/zinc/37/21/49/419372149.db2.gz SPOMJJFXDHJTRS-GOSISDBHSA-N 1 3 270.420 3.097 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCCSCC1 ZINC000657822799 419372344 /nfs/dbraw/zinc/37/23/44/419372344.db2.gz BGQBTHWLVXRMEQ-LSDHHAIUSA-N 1 3 270.486 3.126 20 0 CGADHO C[C@@H](c1cccc(O)c1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255344 419373049 /nfs/dbraw/zinc/37/30/49/419373049.db2.gz CCCTXIIQCLANBA-AWEZNQCLSA-N 1 3 296.414 3.231 20 0 CGADHO NCC[C@H]1CCCC[N@@H+]1CC[C@H]1CCc2ccccc21 ZINC000662272503 419379350 /nfs/dbraw/zinc/37/93/50/419379350.db2.gz FVQMIGHYVPOTAZ-IAGOWNOFSA-N 1 3 272.436 3.310 20 0 CGADHO NCC[C@H]1CCCC[N@H+]1CC[C@H]1CCc2ccccc21 ZINC000662272503 419379356 /nfs/dbraw/zinc/37/93/56/419379356.db2.gz FVQMIGHYVPOTAZ-IAGOWNOFSA-N 1 3 272.436 3.310 20 0 CGADHO C[C@@H](N)[C@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267597 419380637 /nfs/dbraw/zinc/38/06/37/419380637.db2.gz XNCUKVGTKSKRGK-AHCXZYCDSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H](N)[C@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662267597 419380642 /nfs/dbraw/zinc/38/06/42/419380642.db2.gz XNCUKVGTKSKRGK-AHCXZYCDSA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C(C)(C)C(F)F ZINC000657990739 419481036 /nfs/dbraw/zinc/48/10/36/419481036.db2.gz RHHJNFOWPHFFPS-GFCCVEGCSA-N 1 3 276.415 3.378 20 0 CGADHO CC(C)c1cccc(CNC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000663317192 419552646 /nfs/dbraw/zinc/55/26/46/419552646.db2.gz LGWGRMKYIZLNJW-INIZCTEOSA-N 1 3 260.425 3.241 20 0 CGADHO CC(C)c1cccc(CNC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000663317192 419552655 /nfs/dbraw/zinc/55/26/55/419552655.db2.gz LGWGRMKYIZLNJW-INIZCTEOSA-N 1 3 260.425 3.241 20 0 CGADHO CC1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663347848 419565894 /nfs/dbraw/zinc/56/58/94/419565894.db2.gz XTRGRIDHFRVADC-ARWYELJZSA-N 1 3 264.457 3.277 20 0 CGADHO COc1cccc(C2([NH2+]C[C@@H](N)CC(C)C)CCC2)c1 ZINC000663502157 419636506 /nfs/dbraw/zinc/63/65/06/419636506.db2.gz CUEMKXLCSOYFFG-HNNXBMFYSA-N 1 3 276.424 3.037 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(Cl)cc1 ZINC000663504190 419639074 /nfs/dbraw/zinc/63/90/74/419639074.db2.gz XRRSQHFCIQSSOB-SWLSCSKDSA-N 1 3 268.832 3.234 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000663504190 419639078 /nfs/dbraw/zinc/63/90/78/419639078.db2.gz XRRSQHFCIQSSOB-SWLSCSKDSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C(C)C ZINC000663468921 419621949 /nfs/dbraw/zinc/62/19/49/419621949.db2.gz NIKTVCPPCOKZNO-HOTGVXAUSA-N 1 3 252.446 3.133 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C(C)C ZINC000663468922 419622366 /nfs/dbraw/zinc/62/23/66/419622366.db2.gz NIKTVCPPCOKZNO-HZPDHXFCSA-N 1 3 252.446 3.133 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663471780 419626419 /nfs/dbraw/zinc/62/64/19/419626419.db2.gz YCYRMAGDCQXIPN-HOTGVXAUSA-N 1 3 264.457 3.277 20 0 CGADHO C[NH2+]C[C@H](C)NCCCCc1cccc(C(F)(F)F)c1 ZINC000663515040 419642141 /nfs/dbraw/zinc/64/21/41/419642141.db2.gz YPIRNALQZFZKPC-LBPRGKRZSA-N 1 3 288.357 3.226 20 0 CGADHO CC(C)(C)OCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000658185784 419644304 /nfs/dbraw/zinc/64/43/04/419644304.db2.gz PUFAOMYJTBYJDJ-UHFFFAOYSA-N 1 3 270.461 3.044 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCc3ccoc3)CC2)C1 ZINC000658201618 419655811 /nfs/dbraw/zinc/65/58/11/419655811.db2.gz SAHGISQQZBRTGN-CRAIPNDOSA-N 1 3 290.451 3.455 20 0 CGADHO CN(CCCN(C)c1[nH+]ccc2[nH]ccc21)Cc1ccco1 ZINC000663909220 419751947 /nfs/dbraw/zinc/75/19/47/419751947.db2.gz GLLULEJGPABDBF-UHFFFAOYSA-N 1 3 298.390 3.114 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCC1(F)F ZINC000390661475 262236562 /nfs/dbraw/zinc/23/65/62/262236562.db2.gz LXOSIMFQJWIWBY-RDBSUJKOSA-N 1 3 274.399 3.322 20 0 CGADHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2)c(C)c1 ZINC000020547406 262288703 /nfs/dbraw/zinc/28/87/03/262288703.db2.gz JVYSYSGEKSLZRQ-INIZCTEOSA-N 1 3 260.425 3.440 20 0 CGADHO Cc1cc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000044534280 270036753 /nfs/dbraw/zinc/03/67/53/270036753.db2.gz UJKJGYTWEHJTNU-TZMCWYRMSA-N 1 3 266.454 3.357 20 0 CGADHO Cc1cc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044534280 270036755 /nfs/dbraw/zinc/03/67/55/270036755.db2.gz UJKJGYTWEHJTNU-TZMCWYRMSA-N 1 3 266.454 3.357 20 0 CGADHO Cc1c([C@H](C)NCCC2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268015 270074403 /nfs/dbraw/zinc/07/44/03/270074403.db2.gz DWRWDXIYCVLKAV-AWEZNQCLSA-N 1 3 292.471 3.155 20 0 CGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(C)c1 ZINC000528810753 270173661 /nfs/dbraw/zinc/17/36/61/270173661.db2.gz HYCVTTPKGMNFSP-UHFFFAOYSA-N 1 3 297.446 3.474 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530215542 270195625 /nfs/dbraw/zinc/19/56/25/270195625.db2.gz HGVVRGHVNZXWGR-YJNKXOJESA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530215542 270195626 /nfs/dbraw/zinc/19/56/26/270195626.db2.gz HGVVRGHVNZXWGR-YJNKXOJESA-N 1 3 250.430 3.075 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCNC34CCC4)C2)cc1 ZINC000530215463 270195647 /nfs/dbraw/zinc/19/56/47/270195647.db2.gz GNCPKLVJYURQEI-IKGGRYGDSA-N 1 3 270.420 3.197 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000532522056 270216869 /nfs/dbraw/zinc/21/68/69/270216869.db2.gz SNAAARZTFHUOCA-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309947 270222859 /nfs/dbraw/zinc/22/28/59/270222859.db2.gz LAYIEXDTEFEXGE-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(C)cc2)C[C@H]1C ZINC000533309947 270222860 /nfs/dbraw/zinc/22/28/60/270222860.db2.gz LAYIEXDTEFEXGE-AEFFLSMTSA-N 1 3 274.452 3.342 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423465520 274208790 /nfs/dbraw/zinc/20/87/90/274208790.db2.gz WOEJHGQVKLYSEH-QWRGUYRKSA-N 1 3 294.830 3.005 20 0 CGADHO C[C@@H](CNC[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000414893537 274224804 /nfs/dbraw/zinc/22/48/04/274224804.db2.gz RNAMRQGQQYTGEU-IINYFYTJSA-N 1 3 286.341 3.136 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C(F)(F)F)C1 ZINC000093215967 274956966 /nfs/dbraw/zinc/95/69/66/274956966.db2.gz XKIPEHQDGBVGBA-VXGBXAGGSA-N 1 3 272.314 3.065 20 0 CGADHO CC(C)c1ccc(OCCN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422934717 275743711 /nfs/dbraw/zinc/74/37/11/275743711.db2.gz CYVFCUHCBGFXQK-CRAIPNDOSA-N 1 3 290.451 3.167 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3c(F)cccc32)CC1 ZINC000449351457 276152060 /nfs/dbraw/zinc/15/20/60/276152060.db2.gz POWJKLCMIPETEU-KRWDZBQOSA-N 1 3 276.399 3.277 20 0 CGADHO CCN(CC)CCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000514244234 276325009 /nfs/dbraw/zinc/32/50/09/276325009.db2.gz FBFDOUYUEQFFLS-JYJNAYRXSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000514244234 276325011 /nfs/dbraw/zinc/32/50/11/276325011.db2.gz FBFDOUYUEQFFLS-JYJNAYRXSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC(C)C1 ZINC000467745436 276334214 /nfs/dbraw/zinc/33/42/14/276334214.db2.gz XPPYIULMKIZFLH-GYTBAZASSA-N 1 3 252.446 3.275 20 0 CGADHO C[NH+](C)CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449106968 276784242 /nfs/dbraw/zinc/78/42/42/276784242.db2.gz NZQKUIMAWIIMLH-LBPRGKRZSA-N 1 3 286.341 3.023 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000423255683 277031629 /nfs/dbraw/zinc/03/16/29/277031629.db2.gz ANLDZOWJFDHRDH-GVXVVHGQSA-N 1 3 252.427 3.132 20 0 CGADHO CN1CCC[C@H]1CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000270414485 277077500 /nfs/dbraw/zinc/07/75/00/277077500.db2.gz FCKJJTYUMXJZTG-KRWDZBQOSA-N 1 3 288.435 3.056 20 0 CGADHO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccc(O)cc2)CC1 ZINC000270414485 277077501 /nfs/dbraw/zinc/07/75/01/277077501.db2.gz FCKJJTYUMXJZTG-KRWDZBQOSA-N 1 3 288.435 3.056 20 0 CGADHO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccc(O)cc2)CC1 ZINC000270414485 277077503 /nfs/dbraw/zinc/07/75/03/277077503.db2.gz FCKJJTYUMXJZTG-KRWDZBQOSA-N 1 3 288.435 3.056 20 0 CGADHO CC(C)[NH2+]C1CCN(C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000179366764 277662793 /nfs/dbraw/zinc/66/27/93/277662793.db2.gz XWQIAHPNXNJWAZ-HUUCEWRRSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000423252331 278049706 /nfs/dbraw/zinc/04/97/06/278049706.db2.gz XOSHNUPMSOGYDR-KZNAEPCWSA-N 1 3 289.467 3.059 20 0 CGADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423252331 278049709 /nfs/dbraw/zinc/04/97/09/278049709.db2.gz XOSHNUPMSOGYDR-KZNAEPCWSA-N 1 3 289.467 3.059 20 0 CGADHO Cc1cc(Br)ccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000395229825 288007426 /nfs/dbraw/zinc/00/74/26/288007426.db2.gz PGMDXQPWAAVGGN-LLVKDONJSA-N 1 3 299.256 3.045 20 0 CGADHO CC(C)CSCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000397262850 288022602 /nfs/dbraw/zinc/02/26/02/288022602.db2.gz IBWKJTPWOOXYET-HUUCEWRRSA-N 1 3 264.438 3.110 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000226537688 278228653 /nfs/dbraw/zinc/22/86/53/278228653.db2.gz JHIBRCCIWZLGFL-GMXVVIOVSA-N 1 3 284.350 3.018 20 0 CGADHO C[C@@H](C[NH3+])CN[C@H](c1ccc(Br)cc1)C1CC1 ZINC000423295561 278245490 /nfs/dbraw/zinc/24/54/90/278245490.db2.gz FFFURSYWTSZZDN-HZMBPMFUSA-N 1 3 297.240 3.085 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000480600368 278258408 /nfs/dbraw/zinc/25/84/08/278258408.db2.gz IYBPCYIMOKMHRA-ZNMIVQPWSA-N 1 3 254.462 3.379 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)[C@H]1CC1(C)C ZINC000397756529 288029463 /nfs/dbraw/zinc/02/94/63/288029463.db2.gz QOBRTJSBDFHYDY-HUUCEWRRSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H](C[C@@H]1CCCO1)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000360932876 278294602 /nfs/dbraw/zinc/29/46/02/278294602.db2.gz HEYUXXFCOPTLMD-YJBOKZPZSA-N 1 3 294.483 3.331 20 0 CGADHO CC(C)(C)CC[C@H](CO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000355678201 278321649 /nfs/dbraw/zinc/32/16/49/278321649.db2.gz IOIJETFRQUDZGS-OAHLLOKOSA-N 1 3 284.488 3.026 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423400810 278385377 /nfs/dbraw/zinc/38/53/77/278385377.db2.gz QJEWENZAWNDINV-JXFSHQFZSA-N 1 3 280.843 3.420 20 0 CGADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(OC(F)(F)F)cc1 ZINC000423468546 288059743 /nfs/dbraw/zinc/05/97/43/288059743.db2.gz OMFJPPRDLAATMC-NRUUGDAUSA-N 1 3 290.329 3.362 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OC ZINC000423000293 278609195 /nfs/dbraw/zinc/60/91/95/278609195.db2.gz UYTKTYPRAHXBGW-BDXSIMOUSA-N 1 3 296.499 3.338 20 0 CGADHO Cc1cc(CC[NH2+][C@@H]2CCCC[C@H]2CN)ccc1Cl ZINC000423131635 278685545 /nfs/dbraw/zinc/68/55/45/278685545.db2.gz BEHSZDYRCMICJU-GOEBONIOSA-N 1 3 280.843 3.298 20 0 CGADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000423359942 288067842 /nfs/dbraw/zinc/06/78/42/288067842.db2.gz DROKZTMVKHFJBF-KFWWJZLASA-N 1 3 250.361 3.136 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121662136 278782192 /nfs/dbraw/zinc/78/21/92/278782192.db2.gz SAOXLVGIBXIZBX-ZACQAIPSSA-N 1 3 294.483 3.046 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371584 288085460 /nfs/dbraw/zinc/08/54/60/288085460.db2.gz YLTBZGFIEFIWLG-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371584 288085461 /nfs/dbraw/zinc/08/54/61/288085461.db2.gz YLTBZGFIEFIWLG-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371584 288085463 /nfs/dbraw/zinc/08/54/63/288085463.db2.gz YLTBZGFIEFIWLG-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC000459371584 288085464 /nfs/dbraw/zinc/08/54/64/288085464.db2.gz YLTBZGFIEFIWLG-MOPGFXCFSA-N 1 3 284.447 3.480 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCCCCC1 ZINC000422734259 279082398 /nfs/dbraw/zinc/08/23/98/279082398.db2.gz SQGJLYZWZCXJMC-GFCCVEGCSA-N 1 3 261.413 3.222 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H]1CCc2c1c(F)ccc2F ZINC000423442639 279255078 /nfs/dbraw/zinc/25/50/78/279255078.db2.gz VDNUCQPDOPXEGE-QMTHXVAHSA-N 1 3 268.351 3.059 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CCC[C@@H]1CN ZINC000423265847 279272309 /nfs/dbraw/zinc/27/23/09/279272309.db2.gz DBKVZDOEKYHUDN-HSMVNMDESA-N 1 3 282.378 3.003 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252851773 288153518 /nfs/dbraw/zinc/15/35/18/288153518.db2.gz IETSKLZXCFPPBD-QMCVQRASSA-N 1 3 276.399 3.336 20 0 CGADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@@H]1C[C@H]1C1CC1 ZINC000527632869 288178416 /nfs/dbraw/zinc/17/84/16/288178416.db2.gz AVXQJBHEQSUXHR-BVGQSLNGSA-N 1 3 272.436 3.272 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000423388808 280063375 /nfs/dbraw/zinc/06/33/75/280063375.db2.gz IZEMCECCXSYEGZ-DVOMOZLQSA-N 1 3 278.465 3.447 20 0 CGADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCCS1 ZINC000250819951 280158283 /nfs/dbraw/zinc/15/82/83/280158283.db2.gz ZFXBYDLXTKRRMY-ZJIFWQFVSA-N 1 3 282.497 3.173 20 0 CGADHO CC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(OC)cc1 ZINC000181844424 280188276 /nfs/dbraw/zinc/18/82/76/280188276.db2.gz ZZRABSRIHXAALL-DOTOQJQBSA-N 1 3 276.424 3.220 20 0 CGADHO CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)Nc1ccccc1 ZINC000422979222 280255812 /nfs/dbraw/zinc/25/58/12/280255812.db2.gz MAFGQFQUNNRAPM-SZMVWBNQSA-N 1 3 289.467 3.101 20 0 CGADHO CC(C)[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)Nc1ccccc1 ZINC000422979222 280255814 /nfs/dbraw/zinc/25/58/14/280255814.db2.gz MAFGQFQUNNRAPM-SZMVWBNQSA-N 1 3 289.467 3.101 20 0 CGADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423348510 280270423 /nfs/dbraw/zinc/27/04/23/280270423.db2.gz UCGLKNDUGTXQNT-ROUUACIJSA-N 1 3 274.452 3.233 20 0 CGADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699261 281016189 /nfs/dbraw/zinc/01/61/89/281016189.db2.gz SEBPWTQTJNZIMN-LALPHHSUSA-N 1 3 266.816 3.460 20 0 CGADHO CC1(C)CCC[C@@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532675 281033690 /nfs/dbraw/zinc/03/36/90/281033690.db2.gz VSTCRAIJBYJOMC-STWSTGMMSA-N 1 3 276.468 3.308 20 0 CGADHO CC1(C)CC[C@@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000373257073 281106933 /nfs/dbraw/zinc/10/69/33/281106933.db2.gz SGWFEYVJOLIMGZ-OAHLLOKOSA-N 1 3 250.430 3.125 20 0 CGADHO CC1(C)CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000373257073 281106938 /nfs/dbraw/zinc/10/69/38/281106938.db2.gz SGWFEYVJOLIMGZ-OAHLLOKOSA-N 1 3 250.430 3.125 20 0 CGADHO FC(F)(F)c1cccc2c1CN(CC1CC[NH2+]CC1)CC2 ZINC000530209376 288300156 /nfs/dbraw/zinc/30/01/56/288300156.db2.gz XUMHOJGWCAEPNY-UHFFFAOYSA-N 1 3 298.352 3.063 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC23CCC3)cc1 ZINC000530178401 288295348 /nfs/dbraw/zinc/29/53/48/288295348.db2.gz KZXDTKJGBNUIHB-GVDBMIGSSA-N 1 3 288.410 3.336 20 0 CGADHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649284 281382450 /nfs/dbraw/zinc/38/24/50/281382450.db2.gz GGQIDZCHARMEJX-LSDHHAIUSA-N 1 3 258.409 3.130 20 0 CGADHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649284 281382453 /nfs/dbraw/zinc/38/24/53/281382453.db2.gz GGQIDZCHARMEJX-LSDHHAIUSA-N 1 3 258.409 3.130 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1Cl ZINC000532200121 288355081 /nfs/dbraw/zinc/35/50/81/288355081.db2.gz RCMSIBGHXNYDFO-CYBMUJFWSA-N 1 3 296.842 3.485 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248823447 289303761 /nfs/dbraw/zinc/30/37/61/289303761.db2.gz FLFZYJJZGRGULT-RKVPGOIHSA-N 1 3 287.451 3.396 20 0 CGADHO Fc1ccc(CNCCCCC[NH+]2CCCC2)c(F)c1 ZINC000555614354 289352726 /nfs/dbraw/zinc/35/27/26/289352726.db2.gz VNACQJPKGLWPSA-UHFFFAOYSA-N 1 3 282.378 3.321 20 0 CGADHO CCC(C)(C)[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000562564443 289715502 /nfs/dbraw/zinc/71/55/02/289715502.db2.gz IZVHJPAVTFYCAI-JYJNAYRXSA-N 1 3 284.488 3.290 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000515483442 293260442 /nfs/dbraw/zinc/26/04/42/293260442.db2.gz UVXQJCQBQLDJIO-GFCCVEGCSA-N 1 3 273.424 3.222 20 0 CGADHO COc1ccc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000093495842 295121429 /nfs/dbraw/zinc/12/14/29/295121429.db2.gz RZFCBDSJDGTRAP-WBVHZDCISA-N 1 3 290.451 3.138 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@@H]21 ZINC000230046361 295310032 /nfs/dbraw/zinc/31/00/32/295310032.db2.gz SSZRTQBEYQAYSZ-BZZMCLGOSA-N 1 3 270.420 3.123 20 0 CGADHO N[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)C[C@@H]21 ZINC000230046361 295310035 /nfs/dbraw/zinc/31/00/35/295310035.db2.gz SSZRTQBEYQAYSZ-BZZMCLGOSA-N 1 3 270.420 3.123 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCN1 ZINC000423374958 297445741 /nfs/dbraw/zinc/44/57/41/297445741.db2.gz KHKRGFUJYSJANX-VDHUWJSZSA-N 1 3 272.436 3.443 20 0 CGADHO Cc1ccccc1C1(CN[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422899609 302094456 /nfs/dbraw/zinc/09/44/56/302094456.db2.gz HVMPLWBNFQUKCH-IAGOWNOFSA-N 1 3 272.436 3.276 20 0 CGADHO C[C@@H](CS[C@@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000564798740 322043278 /nfs/dbraw/zinc/04/32/78/322043278.db2.gz QTLLJDUJNDXMHF-DOTOQJQBSA-N 1 3 292.492 3.334 20 0 CGADHO Cc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H](N)C2)c1 ZINC000565225779 322067950 /nfs/dbraw/zinc/06/79/50/322067950.db2.gz GXFOALBYMJSQAK-CVEARBPZSA-N 1 3 260.425 3.132 20 0 CGADHO Cc1cccc(C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000565225779 322067951 /nfs/dbraw/zinc/06/79/51/322067951.db2.gz GXFOALBYMJSQAK-CVEARBPZSA-N 1 3 260.425 3.132 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000565226705 322068147 /nfs/dbraw/zinc/06/81/47/322068147.db2.gz MLIGKPADHPYUBN-IRXDYDNUSA-N 1 3 274.452 3.386 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000565226705 322068149 /nfs/dbraw/zinc/06/81/49/322068149.db2.gz MLIGKPADHPYUBN-IRXDYDNUSA-N 1 3 274.452 3.386 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCC2(Sc3ccccc3)CC2)C1 ZINC000565226660 322068263 /nfs/dbraw/zinc/06/82/63/322068263.db2.gz PRAZIBPGDRZWKR-KBPBESRZSA-N 1 3 276.449 3.171 20 0 CGADHO COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C[NH3+])cc1 ZINC000566245349 322111555 /nfs/dbraw/zinc/11/15/55/322111555.db2.gz OAAYJYUGQZSOEZ-IBGZPJMESA-N 1 3 296.414 3.321 20 0 CGADHO Cc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])sc1Br ZINC000567734286 322175179 /nfs/dbraw/zinc/17/51/79/322175179.db2.gz ANSOXPZCLNXAFI-BDAKNGLRSA-N 1 3 291.258 3.034 20 0 CGADHO COc1cc(CNCCC[NH+]2CCC2)cc2ccccc21 ZINC000568237759 322199857 /nfs/dbraw/zinc/19/98/57/322199857.db2.gz FKRKQEFUUSXSJZ-UHFFFAOYSA-N 1 3 284.403 3.034 20 0 CGADHO CCOc1ccccc1[C@H](CC)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568249379 322200705 /nfs/dbraw/zinc/20/07/05/322200705.db2.gz ORXKIZCSEMUGIH-YCPHGPKFSA-N 1 3 276.424 3.396 20 0 CGADHO C[C@H]1C[C@H]([NH3+])CCN1CCCc1ccc(Cl)cc1 ZINC000569136315 322236469 /nfs/dbraw/zinc/23/64/69/322236469.db2.gz CFJFAUOVXHVFIQ-SWLSCSKDSA-N 1 3 266.816 3.084 20 0 CGADHO Fc1ccc(/C=C/CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000569606029 322251801 /nfs/dbraw/zinc/25/18/01/322251801.db2.gz ZCJJURKEQPUWKU-IMLGJKEDSA-N 1 3 288.410 3.160 20 0 CGADHO C(CC1CCCC1)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927655 322260875 /nfs/dbraw/zinc/26/08/75/322260875.db2.gz FLNCXTAFVGSSCE-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO C(CC1CCCC1)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000569927655 322260877 /nfs/dbraw/zinc/26/08/77/322260877.db2.gz FLNCXTAFVGSSCE-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO C(CC1CCCC1)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000569927655 322260879 /nfs/dbraw/zinc/26/08/79/322260879.db2.gz FLNCXTAFVGSSCE-MRXNPFEDSA-N 1 3 250.430 3.032 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000570536271 322276196 /nfs/dbraw/zinc/27/61/96/322276196.db2.gz HMNJRHMRNQNUKN-OWCLPIDISA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000570536271 322276198 /nfs/dbraw/zinc/27/61/98/322276198.db2.gz HMNJRHMRNQNUKN-OWCLPIDISA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000570536271 322276199 /nfs/dbraw/zinc/27/61/99/322276199.db2.gz HMNJRHMRNQNUKN-OWCLPIDISA-N 1 3 278.827 3.302 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCc2ccsc2)C1 ZINC000570856962 322283936 /nfs/dbraw/zinc/28/39/36/322283936.db2.gz LMNPURFHHIDCRL-GOEBONIOSA-N 1 3 280.481 3.389 20 0 CGADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000571327766 322295999 /nfs/dbraw/zinc/29/59/99/322295999.db2.gz GJFKLKBZGGTULN-CVEARBPZSA-N 1 3 252.446 3.441 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCc1cc(Cl)cc2cccnc21 ZINC000579834199 327408684 /nfs/dbraw/zinc/40/86/84/327408684.db2.gz PXUNUYJWCMTBOE-WDEREUQCSA-N 1 3 277.799 3.104 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCc1cc(Cl)cc2cccnc21 ZINC000579834198 327408693 /nfs/dbraw/zinc/40/86/93/327408693.db2.gz PXUNUYJWCMTBOE-QWRGUYRKSA-N 1 3 277.799 3.104 20 0 CGADHO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)CN(C)C)c1 ZINC000395141668 329280157 /nfs/dbraw/zinc/28/01/57/329280157.db2.gz CTZAUPOLLRHKFY-UHFFFAOYSA-N 1 3 268.832 3.326 20 0 CGADHO CC(C)CCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000582965837 329295035 /nfs/dbraw/zinc/29/50/35/329295035.db2.gz XYKFCGWJUBXLAY-CABCVRRESA-N 1 3 278.440 3.327 20 0 CGADHO CCc1ccc([C@H](C)NCC2CC[NH+](CC)CC2)o1 ZINC000580504514 330797736 /nfs/dbraw/zinc/79/77/36/330797736.db2.gz IRWUCHOHPHZXMK-ZDUSSCGKSA-N 1 3 264.413 3.225 20 0 CGADHO C[NH2+]C1CCN(C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000576227217 335174083 /nfs/dbraw/zinc/17/40/83/335174083.db2.gz LHTYSNUDADRVGJ-QGZVFWFLSA-N 1 3 260.425 3.110 20 0 CGADHO CNC1CC[NH+](C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000576227217 335174084 /nfs/dbraw/zinc/17/40/84/335174084.db2.gz LHTYSNUDADRVGJ-QGZVFWFLSA-N 1 3 260.425 3.110 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)CN1CCCC1 ZINC000577014599 335280130 /nfs/dbraw/zinc/28/01/30/335280130.db2.gz JTGUIZSSPUVSJO-RBSFLKMASA-N 1 3 252.446 3.133 20 0 CGADHO CC1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000577325589 335338856 /nfs/dbraw/zinc/33/88/56/335338856.db2.gz CSCJJUBRDYAXRE-UHFFFAOYSA-N 1 3 278.465 3.350 20 0 CGADHO COCCCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000577509223 335362292 /nfs/dbraw/zinc/36/22/92/335362292.db2.gz BNZDQOXIFQNNKL-SQNIBIBYSA-N 1 3 290.451 3.404 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(CN(C)C)c2)C1(C)C ZINC000181438963 335762120 /nfs/dbraw/zinc/76/21/20/335762120.db2.gz PPEFZEYYWDQDLK-DLBZAZTESA-N 1 3 290.451 3.041 20 0 CGADHO CC[NH2+]CCCN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581364076 336061373 /nfs/dbraw/zinc/06/13/73/336061373.db2.gz SNVSCDABGYCZOX-HOTGVXAUSA-N 1 3 264.388 3.051 20 0 CGADHO CCNCCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581364076 336061374 /nfs/dbraw/zinc/06/13/74/336061374.db2.gz SNVSCDABGYCZOX-HOTGVXAUSA-N 1 3 264.388 3.051 20 0 CGADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000581634822 336115304 /nfs/dbraw/zinc/11/53/04/336115304.db2.gz GXCYJZFVEPVVHI-RDJZCZTQSA-N 1 3 266.473 3.332 20 0 CGADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000581634822 336115305 /nfs/dbraw/zinc/11/53/05/336115305.db2.gz GXCYJZFVEPVVHI-RDJZCZTQSA-N 1 3 266.473 3.332 20 0 CGADHO C1[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000387223307 336188437 /nfs/dbraw/zinc/18/84/37/336188437.db2.gz ZVHFGENMTWYOMB-XUWVNRHRSA-N 1 3 262.441 3.220 20 0 CGADHO C1[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCCN2)C12CCCC2 ZINC000387223307 336188439 /nfs/dbraw/zinc/18/84/39/336188439.db2.gz ZVHFGENMTWYOMB-XUWVNRHRSA-N 1 3 262.441 3.220 20 0 CGADHO C[C@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCCNC1 ZINC000423326562 534176087 /nfs/dbraw/zinc/17/60/87/534176087.db2.gz CLIGIPRGLVOWBO-VJFUWPCTSA-N 1 3 294.483 3.236 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423410027 534366164 /nfs/dbraw/zinc/36/61/64/534366164.db2.gz ZNWCFAFZOKJQOO-QBIMZIAESA-N 1 3 297.446 3.441 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCNC[C@H]1C ZINC000423410027 534366167 /nfs/dbraw/zinc/36/61/67/534366167.db2.gz ZNWCFAFZOKJQOO-QBIMZIAESA-N 1 3 297.446 3.441 20 0 CGADHO Cc1ccncc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000368440866 534417884 /nfs/dbraw/zinc/41/78/84/534417884.db2.gz INFYEQBHPFCOBQ-GOSISDBHSA-N 1 3 295.430 3.002 20 0 CGADHO c1cc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCC3)CC2)ccn1 ZINC000425353631 534470147 /nfs/dbraw/zinc/47/01/47/534470147.db2.gz LYQXWROWXRQVEI-YJBOKZPZSA-N 1 3 285.435 3.076 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215202 521936802 /nfs/dbraw/zinc/93/68/02/521936802.db2.gz LUYBSVOYKYWJAU-GJZGRUSLSA-N 1 3 275.440 3.322 20 0 CGADHO Clc1cccc([C@H]2CCC[C@@H]([NH2+]CC3CNC3)C2)c1 ZINC000423317298 534647349 /nfs/dbraw/zinc/64/73/49/534647349.db2.gz KGNKHFSBCCXHOU-GOEBONIOSA-N 1 3 278.827 3.175 20 0 CGADHO Clc1cccc([C@H]2CCC[C@@H](NCC3C[NH2+]C3)C2)c1 ZINC000423317298 534647352 /nfs/dbraw/zinc/64/73/52/534647352.db2.gz KGNKHFSBCCXHOU-GOEBONIOSA-N 1 3 278.827 3.175 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000157907349 523470737 /nfs/dbraw/zinc/47/07/37/523470737.db2.gz DGSBVPUSRSTWEF-HOTGVXAUSA-N 1 3 292.471 3.066 20 0 CGADHO CCn1cc([C@H](C)NCCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000157907349 523470746 /nfs/dbraw/zinc/47/07/46/523470746.db2.gz DGSBVPUSRSTWEF-HOTGVXAUSA-N 1 3 292.471 3.066 20 0 CGADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423287304 527257180 /nfs/dbraw/zinc/25/71/80/527257180.db2.gz LIRKAEUHSLOOQU-TZMCWYRMSA-N 1 3 266.816 3.303 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157440810 527377584 /nfs/dbraw/zinc/37/75/84/527377584.db2.gz AFGQZVQPTVZUOP-SJORKVTESA-N 1 3 288.341 3.242 20 0 CGADHO N[C@@H]1C[C@H]([NH2+]CCc2cc(F)cc(F)c2)c2ccccc21 ZINC000157440810 527377587 /nfs/dbraw/zinc/37/75/87/527377587.db2.gz AFGQZVQPTVZUOP-SJORKVTESA-N 1 3 288.341 3.242 20 0 CGADHO CCC[NH+]1CCC(CNCc2ccc(C)cc2OC)CC1 ZINC000449132073 528187857 /nfs/dbraw/zinc/18/78/57/528187857.db2.gz RNSIJTAELSHCBU-UHFFFAOYSA-N 1 3 290.451 3.215 20 0 CGADHO CC(C)c1cccc2c1OCCC[C@H]2NC[C@@H](C)C[NH3+] ZINC000423301464 528188963 /nfs/dbraw/zinc/18/89/63/528188963.db2.gz TVEBYNBJGGJTAW-XJKSGUPXSA-N 1 3 276.424 3.208 20 0 CGADHO CC(C)Oc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423348598 528202936 /nfs/dbraw/zinc/20/29/36/528202936.db2.gz UJYQEVZBQQNCRW-CQSZACIVSA-N 1 3 274.408 3.044 20 0 CGADHO CCC[NH+]1CCC(N[C@H](CC(F)(F)F)C(C)C)CC1 ZINC000437106012 528206573 /nfs/dbraw/zinc/20/65/73/528206573.db2.gz UMNNAVPSSYKJLB-CYBMUJFWSA-N 1 3 280.378 3.427 20 0 CGADHO CC(C)C[C@H](C)[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000355912981 528467169 /nfs/dbraw/zinc/46/71/69/528467169.db2.gz MJSYPYVNHSBCDV-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)C[C@H](C)[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000355912981 528467173 /nfs/dbraw/zinc/46/71/73/528467173.db2.gz MJSYPYVNHSBCDV-HOTGVXAUSA-N 1 3 252.446 3.371 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCNC1CC1 ZINC000423527405 528490551 /nfs/dbraw/zinc/49/05/51/528490551.db2.gz MJEJDECGEMFCNF-QGZVFWFLSA-N 1 3 278.415 3.125 20 0 CGADHO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC000423382416 528629933 /nfs/dbraw/zinc/62/99/33/528629933.db2.gz OXGMIRXMFWXYJO-JKIFEVAISA-N 1 3 260.425 3.430 20 0 CGADHO CCCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424382811 528676466 /nfs/dbraw/zinc/67/64/66/528676466.db2.gz SWNPWONSZMKJCI-IAGOWNOFSA-N 1 3 276.424 3.225 20 0 CGADHO CC(CN(C)CCC1CC1)C[N@H+](C)CCC1CC1 ZINC000441249483 528705619 /nfs/dbraw/zinc/70/56/19/528705619.db2.gz WWZAGURJJGMNKV-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO CC(CN(C)CCC1CC1)C[N@@H+](C)CCC1CC1 ZINC000441249483 528705628 /nfs/dbraw/zinc/70/56/28/528705628.db2.gz WWZAGURJJGMNKV-UHFFFAOYSA-N 1 3 252.446 3.086 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000423283244 528954342 /nfs/dbraw/zinc/95/43/42/528954342.db2.gz FBCDYPOUYJFVCI-INIZCTEOSA-N 1 3 278.440 3.499 20 0 CGADHO CCC(N)(CC)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423282866 528954634 /nfs/dbraw/zinc/95/46/34/528954634.db2.gz DEICVBIYVMDVJY-DOTOQJQBSA-N 1 3 290.451 3.261 20 0 CGADHO CCCC[C@H](CN)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423297674 528957240 /nfs/dbraw/zinc/95/72/40/528957240.db2.gz LHORTLNYUHBVJV-TZMCWYRMSA-N 1 3 282.428 3.470 20 0 CGADHO CC[NH+]1CCC(CCNCc2cccc(C)c2F)CC1 ZINC000449166906 528968644 /nfs/dbraw/zinc/96/86/44/528968644.db2.gz GYZOQKGEIZTQOQ-UHFFFAOYSA-N 1 3 278.415 3.346 20 0 CGADHO CC(C)[C@H](CCc1ccccc1)NCC[C@H]1CCC[NH2+]1 ZINC000423354616 528987610 /nfs/dbraw/zinc/98/76/10/528987610.db2.gz DCOWXCDNMMJQMR-MSOLQXFVSA-N 1 3 274.452 3.376 20 0 CGADHO CCSc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423449561 529248168 /nfs/dbraw/zinc/24/81/68/529248168.db2.gz RUWORVHDVQKAED-TUAOUCFPSA-N 1 3 252.427 3.185 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000480194920 535004105 /nfs/dbraw/zinc/00/41/05/535004105.db2.gz UIWBRRUAMXPKHD-GOSISDBHSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CC(C)(C)OC1(C)C)CN1CCCC1 ZINC000357881774 535152696 /nfs/dbraw/zinc/15/26/96/535152696.db2.gz RYZLFWNESCZENI-CQSZACIVSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)(CN[C@@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCC1 ZINC000357881774 535152701 /nfs/dbraw/zinc/15/27/01/535152701.db2.gz RYZLFWNESCZENI-CQSZACIVSA-N 1 3 282.472 3.044 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](COC)C(C)C ZINC000484289527 535578643 /nfs/dbraw/zinc/57/86/43/535578643.db2.gz GECCHNACEGZJQC-ULQDDVLXSA-N 1 3 284.488 3.148 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CC1 ZINC000483314784 535578945 /nfs/dbraw/zinc/57/89/45/535578945.db2.gz MNDQAEZXOGFLPW-KBMXLJTQSA-N 1 3 252.446 3.275 20 0 CGADHO Clc1ccccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166383098 572814825 /nfs/dbraw/zinc/81/48/25/572814825.db2.gz FUTTZHYREVBKNA-LSDHHAIUSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1ccccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166383098 572814827 /nfs/dbraw/zinc/81/48/27/572814827.db2.gz FUTTZHYREVBKNA-LSDHHAIUSA-N 1 3 278.827 3.099 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261652203 618106628 /nfs/dbraw/zinc/10/66/28/618106628.db2.gz BCCLBRCPVBKJSM-YPMHNXCESA-N 1 3 286.341 3.183 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000926136105 618155468 /nfs/dbraw/zinc/15/54/68/618155468.db2.gz SZXNXRUEFRKSPM-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO COC1CCC(C[NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000892448575 618788108 /nfs/dbraw/zinc/78/81/08/618788108.db2.gz AUEOAGBXZPOZIO-KLAILNCOSA-N 1 3 282.472 3.046 20 0 CGADHO CCOCc1ccccc1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925525390 619019821 /nfs/dbraw/zinc/01/98/21/619019821.db2.gz APFLQFWVHYZMBA-SJORKVTESA-N 1 3 290.451 3.219 20 0 CGADHO c1cc(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)cs1 ZINC000925528639 619025774 /nfs/dbraw/zinc/02/57/74/619025774.db2.gz UDTWTJXYDTZBHF-HZPDHXFCSA-N 1 3 278.465 3.049 20 0 CGADHO COCC(C)(C)CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925670847 619122746 /nfs/dbraw/zinc/12/27/46/619122746.db2.gz ABFHSEVZTXYUIV-IAGOWNOFSA-N 1 3 296.499 3.197 20 0 CGADHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cc2cnccc2o1 ZINC000925731219 619203313 /nfs/dbraw/zinc/20/33/13/619203313.db2.gz ZHLPZPAYFFBMMG-YUTCNCBUSA-N 1 3 287.407 3.384 20 0 CGADHO CCSc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000925733108 619207254 /nfs/dbraw/zinc/20/72/54/619207254.db2.gz SIIHPXLFLGTMHH-CZUORRHYSA-N 1 3 278.465 3.276 20 0 CGADHO Cc1cc(Cl)ccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261571930 619289273 /nfs/dbraw/zinc/28/92/73/619289273.db2.gz SECRUWDOIWAGHY-IMJJTQAJSA-N 1 3 278.827 3.208 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783881 619635316 /nfs/dbraw/zinc/63/53/16/619635316.db2.gz ZJGZIMKBWSCOJY-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2nccc3ccccc32)C1 ZINC000894783881 619635318 /nfs/dbraw/zinc/63/53/18/619635318.db2.gz ZJGZIMKBWSCOJY-QFBILLFUSA-N 1 3 295.430 3.151 20 0 CGADHO C[C@@H](CC[NH2+]Cc1cccc(-c2cccnc2)c1)N(C)C ZINC000895297306 619799995 /nfs/dbraw/zinc/79/99/95/619799995.db2.gz KGONHIGONRXEJP-HNNXBMFYSA-N 1 3 283.419 3.178 20 0 CGADHO C[C@@H](CC[NH2+]C1CCC(c2ccc(O)cc2)CC1)N(C)C ZINC000895297552 619800024 /nfs/dbraw/zinc/80/00/24/619800024.db2.gz YQODRNXOXJCQDT-UQPPLGOBSA-N 1 3 290.451 3.348 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000925212579 620230797 /nfs/dbraw/zinc/23/07/97/620230797.db2.gz JOBONFPMJCMJKM-QZTJIDSGSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)CCN1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000925266793 620296975 /nfs/dbraw/zinc/29/69/75/620296975.db2.gz GHYRBRUICYDGKK-MRXNPFEDSA-N 1 3 284.513 3.372 20 0 CGADHO CN(C)CC(C)(C)C[N@H+](C)Cc1cncc2ccccc21 ZINC000898308201 620510525 /nfs/dbraw/zinc/51/05/25/620510525.db2.gz RZXSCAHTGDHCRB-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1cncc2ccccc21 ZINC000898308201 620510528 /nfs/dbraw/zinc/51/05/28/620510528.db2.gz RZXSCAHTGDHCRB-UHFFFAOYSA-N 1 3 285.435 3.254 20 0 CGADHO Cl/C=C\CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000898436097 620588248 /nfs/dbraw/zinc/58/82/48/620588248.db2.gz QWRXCQRHKIYFSN-BAQGIRSFSA-N 1 3 294.826 3.003 20 0 CGADHO C1CC12CCC[C@H]([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C2 ZINC000902455272 621333251 /nfs/dbraw/zinc/33/32/51/621333251.db2.gz XTDNWTDBNSVPFU-YESZJQIVSA-N 1 3 276.468 3.467 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2C[C@H](N)c3ccccc32)O1 ZINC000902459543 621335716 /nfs/dbraw/zinc/33/57/16/621335716.db2.gz BYWVVLQPUZTEPG-KCXAZCMYSA-N 1 3 274.408 3.069 20 0 CGADHO Clc1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)cc1 ZINC000902461536 621336165 /nfs/dbraw/zinc/33/61/65/621336165.db2.gz OLPAMWXNJPSYCF-BMQFZULRSA-N 1 3 290.838 3.459 20 0 CGADHO Clc1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)C1CC1 ZINC000902464987 621338752 /nfs/dbraw/zinc/33/87/52/621338752.db2.gz GHSIXXRALXVLGS-BSWAZPDLSA-N 1 3 290.838 3.144 20 0 CGADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1csc(-c2ccccc2)n1 ZINC000902491294 621342778 /nfs/dbraw/zinc/34/27/78/621342778.db2.gz XARAVBJHVHVMFR-OBJOEFQTSA-N 1 3 287.432 3.198 20 0 CGADHO CC(C)C[C@@H]([NH2+]CCCN(C)C(C)C)C1CCOCC1 ZINC000902735314 621419776 /nfs/dbraw/zinc/41/97/76/621419776.db2.gz BYOJKKSUARKLDX-QGZVFWFLSA-N 1 3 284.488 3.148 20 0 CGADHO CN(C)CC1(C[NH2+][C@@H](c2ccccn2)C2CC2)CCCC1 ZINC000903151324 621611403 /nfs/dbraw/zinc/61/14/03/621611403.db2.gz DUUOVBTUBSIVEY-QGZVFWFLSA-N 1 3 287.451 3.244 20 0 CGADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000903255650 621644471 /nfs/dbraw/zinc/64/44/71/621644471.db2.gz YLUUIYRIEZTZRE-NKGKWGDASA-N 1 3 276.468 3.418 20 0 CGADHO CCC[C@@H](CC)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379938 621722031 /nfs/dbraw/zinc/72/20/31/621722031.db2.gz JEYBAVZZLNAVBO-CVEARBPZSA-N 1 3 263.429 3.243 20 0 CGADHO CC[C@H](C)[C@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385002 621726301 /nfs/dbraw/zinc/72/63/01/621726301.db2.gz UZLHMBLHWFNVIA-DZKIICNBSA-N 1 3 263.429 3.099 20 0 CGADHO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903438973 621748540 /nfs/dbraw/zinc/74/85/40/621748540.db2.gz AAVZPQWHKWPLEI-LGWLGOQQSA-N 1 3 276.399 3.064 20 0 CGADHO CC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1[NH3+] ZINC000903450298 621760482 /nfs/dbraw/zinc/76/04/82/621760482.db2.gz SWJQYMLEMXUXHQ-DRPJVOAASA-N 1 3 294.389 3.095 20 0 CGADHO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](N)CC(F)F ZINC000903884142 621826859 /nfs/dbraw/zinc/82/68/59/621826859.db2.gz SOWPKWNRVIFBNL-ZDUSSCGKSA-N 1 3 274.330 3.020 20 0 CGADHO CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](N)CC(F)F ZINC000903884142 621826862 /nfs/dbraw/zinc/82/68/62/621826862.db2.gz SOWPKWNRVIFBNL-ZDUSSCGKSA-N 1 3 274.330 3.020 20 0 CGADHO N[C@H](CC(F)F)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929398 621834272 /nfs/dbraw/zinc/83/42/72/621834272.db2.gz DKNIJWUHVPKCFH-HUUCEWRRSA-N 1 3 294.389 3.239 20 0 CGADHO N[C@H](CC(F)F)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000903929398 621834275 /nfs/dbraw/zinc/83/42/75/621834275.db2.gz DKNIJWUHVPKCFH-HUUCEWRRSA-N 1 3 294.389 3.239 20 0 CGADHO CSc1ccccc1C[C@H](C)NCCC(C)(C)[NH3+] ZINC000903939987 621838587 /nfs/dbraw/zinc/83/85/87/621838587.db2.gz SCEWPLZNPMOBCV-LBPRGKRZSA-N 1 3 266.454 3.057 20 0 CGADHO CN(C)[C@@H](CNC[C@@H]([NH3+])CCC(C)(C)C)c1ccccc1 ZINC000904367758 621912864 /nfs/dbraw/zinc/91/28/64/621912864.db2.gz HYOZVWOKWWWIRS-IRXDYDNUSA-N 1 3 291.483 3.033 20 0 CGADHO N[C@H]1C[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000906518864 622242374 /nfs/dbraw/zinc/24/23/74/622242374.db2.gz SRKZQJHAIDFNET-HDJSIYSDSA-N 1 3 286.341 3.107 20 0 CGADHO CCCCCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157700323 622942664 /nfs/dbraw/zinc/94/26/64/622942664.db2.gz QSHLZHOCESVZLB-HDICACEKSA-N 1 3 295.515 3.057 20 0 CGADHO CCCCCCN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157700323 622942669 /nfs/dbraw/zinc/94/26/69/622942669.db2.gz QSHLZHOCESVZLB-HDICACEKSA-N 1 3 295.515 3.057 20 0 CGADHO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCO1 ZINC000152894221 623733214 /nfs/dbraw/zinc/73/32/14/623733214.db2.gz PDAVFZKFHDPKJR-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]([NH2+]C1CCN(CC2CCCCC2)CC1)[C@H]1CCCO1 ZINC000152894221 623733225 /nfs/dbraw/zinc/73/32/25/623733225.db2.gz PDAVFZKFHDPKJR-MAUKXSAKSA-N 1 3 294.483 3.188 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000922846805 626057813 /nfs/dbraw/zinc/05/78/13/626057813.db2.gz OUAWYXAVKUGXHZ-UHFFFAOYSA-N 1 3 289.423 3.049 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Cl)s1 ZINC000020043186 634474473 /nfs/dbraw/zinc/47/44/73/634474473.db2.gz PYONUFZULILYTE-UHFFFAOYSA-N 1 3 260.834 3.079 20 0 CGADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCC=CO3)CC2)C1 ZINC000783307464 628702018 /nfs/dbraw/zinc/70/20/18/628702018.db2.gz IZISCNIZNQVJNY-BPQIPLTHSA-N 1 3 292.467 3.312 20 0 CGADHO CC(C)C[C@H](N)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863654310 629634059 /nfs/dbraw/zinc/63/40/59/629634059.db2.gz WHQJOROFHVCJGD-ZFWWWQNUSA-N 1 3 266.816 3.290 20 0 CGADHO FC1(F)CCN(CCCC[NH+]2CCC(F)(F)CC2)CC1 ZINC000796540131 629797687 /nfs/dbraw/zinc/79/76/87/629797687.db2.gz PSNRRRKYZVNAEJ-UHFFFAOYSA-N 1 3 296.352 3.229 20 0 CGADHO c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925493506 629939726 /nfs/dbraw/zinc/93/97/26/629939726.db2.gz XVNGRQTYPXEBGI-NZSAHSFTSA-N 1 3 284.447 3.084 20 0 CGADHO C(CC1CC1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285485 635443828 /nfs/dbraw/zinc/44/38/28/635443828.db2.gz AMUBBRUEVUYWPZ-NVXWUHKLSA-N 1 3 262.441 3.125 20 0 CGADHO C(CC1CC1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285485 635443833 /nfs/dbraw/zinc/44/38/33/635443833.db2.gz AMUBBRUEVUYWPZ-NVXWUHKLSA-N 1 3 262.441 3.125 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2C)C1 ZINC000815560278 631795707 /nfs/dbraw/zinc/79/57/07/631795707.db2.gz CNCIEFSHILVUMD-KBPBESRZSA-N 1 3 264.388 3.127 20 0 CGADHO CC[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000817945967 632243028 /nfs/dbraw/zinc/24/30/28/632243028.db2.gz OPOQPTDGPSCUHA-YOEHRIQHSA-N 1 3 288.435 3.052 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817969252 632263125 /nfs/dbraw/zinc/26/31/25/632263125.db2.gz SRAPZHPRLCWIPA-IAGOWNOFSA-N 1 3 288.435 3.194 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000817972667 632265789 /nfs/dbraw/zinc/26/57/89/632265789.db2.gz ZPALWPLRPGRYQI-CSFVBSKPSA-N 1 3 276.399 3.192 20 0 CGADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000817972219 632266397 /nfs/dbraw/zinc/26/63/97/632266397.db2.gz VGANSJSPKUHJGM-DKIMLUQUSA-N 1 3 272.436 3.443 20 0 CGADHO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817986018 632274142 /nfs/dbraw/zinc/27/41/42/632274142.db2.gz PBFDPFNPGXMKAG-QWHCGFSZSA-N 1 3 270.486 3.171 20 0 CGADHO C[C@@H](CSC(C)(C)C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000817986018 632274151 /nfs/dbraw/zinc/27/41/51/632274151.db2.gz PBFDPFNPGXMKAG-QWHCGFSZSA-N 1 3 270.486 3.171 20 0 CGADHO C[C@@H](NCc1ccccc1CO)c1cccc(C[NH+](C)C)c1 ZINC000820807184 632680293 /nfs/dbraw/zinc/68/02/93/632680293.db2.gz BRIMTOJHJPSXQQ-OAHLLOKOSA-N 1 3 298.430 3.091 20 0 CGADHO Cc1cnc(CNC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000823966431 633176237 /nfs/dbraw/zinc/17/62/37/633176237.db2.gz OPSBCADYDGGHBL-UHFFFAOYSA-N 1 3 293.480 3.338 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000872144643 634064640 /nfs/dbraw/zinc/06/46/40/634064640.db2.gz CQJYNSFCFCPIKC-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CC(C)(C)[C@]1(CN)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872144643 634064645 /nfs/dbraw/zinc/06/46/45/634064645.db2.gz CQJYNSFCFCPIKC-IBGZPJMESA-N 1 3 297.446 3.432 20 0 CGADHO CN(CCCCCC[NH3+])Cc1ccc(C(F)(F)F)cn1 ZINC000872155545 634066201 /nfs/dbraw/zinc/06/62/01/634066201.db2.gz PIXVJXMTBPXDGR-UHFFFAOYSA-N 1 3 289.345 3.051 20 0 CGADHO CCCC(C)(C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873207321 634285799 /nfs/dbraw/zinc/28/57/99/634285799.db2.gz VIFQJVRDBQEPSS-UHFFFAOYSA-N 1 3 252.427 3.062 20 0 CGADHO Cc1cc(CNCc2cc3c(s2)CC[NH2+]C3)ccc1F ZINC000873211224 634286760 /nfs/dbraw/zinc/28/67/60/634286760.db2.gz KSHDXPUJTHNICE-UHFFFAOYSA-N 1 3 290.407 3.131 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000873274224 634315400 /nfs/dbraw/zinc/31/54/00/634315400.db2.gz SUHNFKORPZCWBF-KOZAUXTDSA-N 1 3 296.842 3.276 20 0 CGADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148006 635378472 /nfs/dbraw/zinc/37/84/72/635378472.db2.gz LKQHZYQSPHYHTP-CVEARBPZSA-N 1 3 296.499 3.244 20 0 CGADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878148006 635378477 /nfs/dbraw/zinc/37/84/77/635378477.db2.gz LKQHZYQSPHYHTP-CVEARBPZSA-N 1 3 296.499 3.244 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]CCCN1CCCCC1 ZINC000879671849 635831030 /nfs/dbraw/zinc/83/10/30/635831030.db2.gz QANAFAWKNMVGHG-ZIAGYGMSSA-N 1 3 290.373 3.349 20 0 CGADHO FC(F)(F)[C@@H]1CC=CC[C@H]1NCCC[NH+]1CCCCC1 ZINC000879671849 635831034 /nfs/dbraw/zinc/83/10/34/635831034.db2.gz QANAFAWKNMVGHG-ZIAGYGMSSA-N 1 3 290.373 3.349 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cc2cnccc2o1 ZINC000879712272 635840009 /nfs/dbraw/zinc/84/00/09/635840009.db2.gz IMNSTKOWRCVIIS-ZFWWWQNUSA-N 1 3 287.407 3.353 20 0 CGADHO C[C@H]1c2sccc2CC[N@H+]1CC[C@H]1CCCN1C ZINC000880377154 635988505 /nfs/dbraw/zinc/98/85/05/635988505.db2.gz PQPISEJTUUXINJ-GXTWGEPZSA-N 1 3 264.438 3.152 20 0 CGADHO C[C@H]1c2sccc2CC[N@@H+]1CC[C@H]1CCCN1C ZINC000880377154 635988507 /nfs/dbraw/zinc/98/85/07/635988507.db2.gz PQPISEJTUUXINJ-GXTWGEPZSA-N 1 3 264.438 3.152 20 0 CGADHO CC(C)[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000128993363 636106769 /nfs/dbraw/zinc/10/67/69/636106769.db2.gz VEWLVDIBENBIEH-JKSUJKDBSA-N 1 3 264.388 3.255 20 0 CGADHO C[C@](C[NH3+])(NC[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CC1 ZINC000883418367 636748445 /nfs/dbraw/zinc/74/84/45/636748445.db2.gz GATHJTVOYGFTTC-OKZBNKHCSA-N 1 3 288.435 3.014 20 0 CGADHO CC(C)(C)C1CCC(C[N@@H+]2CC[C@H](CN)C2)CC1 ZINC000135294570 637109392 /nfs/dbraw/zinc/10/93/92/637109392.db2.gz KFLGYLWLMXFXPX-SHARSMKWSA-N 1 3 252.446 3.120 20 0 CGADHO CC(C)(C)C1CCC(C[N@H+]2CC[C@H](CN)C2)CC1 ZINC000135294570 637109401 /nfs/dbraw/zinc/10/94/01/637109401.db2.gz KFLGYLWLMXFXPX-SHARSMKWSA-N 1 3 252.446 3.120 20 0 CGADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000886167002 637445611 /nfs/dbraw/zinc/44/56/11/637445611.db2.gz XYHPKEGVOOKUIU-KZNAEPCWSA-N 1 3 294.483 3.046 20 0 CGADHO CC/C=C\CC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886715842 637669161 /nfs/dbraw/zinc/66/91/61/637669161.db2.gz GHRWQEYPGNDPTB-WAYWQWQTSA-N 1 3 250.430 3.293 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852566010 637680626 /nfs/dbraw/zinc/68/06/26/637680626.db2.gz LCCWHJPJBMXSPP-FUHWJXTLSA-N 1 3 289.467 3.114 20 0 CGADHO Cc1noc(C)c1[C@@H](C)NCCCC[NH+]1CCC(C)CC1 ZINC000924682542 638387199 /nfs/dbraw/zinc/38/71/99/638387199.db2.gz WPGVLFDKBLKKOX-CQSZACIVSA-N 1 3 293.455 3.454 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000924959904 638432413 /nfs/dbraw/zinc/43/24/13/638432413.db2.gz MRKMGGCOSRMSGB-MWDXBVQZSA-N 1 3 262.441 3.051 20 0 CGADHO C[C@H]([NH3+])[C@@H](NC[C@@H]1CCC(F)(F)C1)c1ccccc1 ZINC000925657896 638559747 /nfs/dbraw/zinc/55/97/47/638559747.db2.gz UVPOATAJUDAZSH-OUCADQQQSA-N 1 3 268.351 3.100 20 0 CGADHO Cc1cscc1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925659810 638560459 /nfs/dbraw/zinc/56/04/59/638560459.db2.gz NQMSOAWAJCCYLB-CHWSQXEVSA-N 1 3 252.427 3.052 20 0 CGADHO c1ccc(C2CC(C[NH2+][C@@H]3CCNC34CCC4)C2)cc1 ZINC000925667924 638563574 /nfs/dbraw/zinc/56/35/74/638563574.db2.gz WKRLDFHQXYTRLL-BDVYOWHSSA-N 1 3 270.420 3.054 20 0 CGADHO C[N@H+](CCCN[C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846871 638576012 /nfs/dbraw/zinc/57/60/12/638576012.db2.gz RBOIGBOWLNEXHG-INIZCTEOSA-N 1 3 290.455 3.031 20 0 CGADHO C[N@@H+](CCCN[C@H]1CCCc2cn[nH]c21)C1CCCCC1 ZINC000857846871 638576015 /nfs/dbraw/zinc/57/60/15/638576015.db2.gz RBOIGBOWLNEXHG-INIZCTEOSA-N 1 3 290.455 3.031 20 0 CGADHO C1CC12CCC[C@H]2[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925726105 638583943 /nfs/dbraw/zinc/58/39/43/638583943.db2.gz YOWHPBPHDDZXPF-ARFHVFGLSA-N 1 3 262.441 3.077 20 0 CGADHO CCCOc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000925739945 638591328 /nfs/dbraw/zinc/59/13/28/638591328.db2.gz BVHAJYCOEQDPQA-ZDUSSCGKSA-N 1 3 264.413 3.253 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842262 638629834 /nfs/dbraw/zinc/62/98/34/638629834.db2.gz ISLXMKJGCKHYQH-RCCFBDPRSA-N 1 3 270.420 3.104 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925862205 638634420 /nfs/dbraw/zinc/63/44/20/638634420.db2.gz YCJYSWOXYFFYGJ-KBXIAJHMSA-N 1 3 294.508 3.171 20 0 CGADHO C[C@@H](CC[NH2+]C1CC2(C1)COC(C)(C)C2)N1CCCCC1 ZINC000926142322 638720843 /nfs/dbraw/zinc/72/08/43/638720843.db2.gz KZWBQMYUTSEBMP-HJOIGYKYSA-N 1 3 294.483 3.188 20 0 CGADHO COCCC(C)(C)C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926168202 638727745 /nfs/dbraw/zinc/72/77/45/638727745.db2.gz RODSALDYHJGBLF-UHFFFAOYSA-N 1 3 284.488 3.149 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490317 638741247 /nfs/dbraw/zinc/74/12/47/638741247.db2.gz GEIAUFOBKFIYIB-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CCCC[N@H+](C)C1 ZINC000858490317 638741250 /nfs/dbraw/zinc/74/12/50/638741250.db2.gz GEIAUFOBKFIYIB-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490317 638741253 /nfs/dbraw/zinc/74/12/53/638741253.db2.gz GEIAUFOBKFIYIB-YJBOKZPZSA-N 1 3 272.436 3.304 20 0 CGADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc([O-])cc(F)c1 ZINC000926557584 638784913 /nfs/dbraw/zinc/78/49/13/638784913.db2.gz CSTZOEDGBOFPMR-GFCCVEGCSA-N 1 3 280.387 3.056 20 0 CGADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc([O-])cc(F)c1 ZINC000926557584 638784915 /nfs/dbraw/zinc/78/49/15/638784915.db2.gz CSTZOEDGBOFPMR-GFCCVEGCSA-N 1 3 280.387 3.056 20 0 CGADHO Cc1noc(C)c1[C@@H](C)NCCC1CC[NH+](C(C)C)CC1 ZINC000926792041 638812536 /nfs/dbraw/zinc/81/25/36/638812536.db2.gz WONPJXTUDFLRPP-CYBMUJFWSA-N 1 3 293.455 3.453 20 0 CGADHO CC(C)CCN1CCC([NH2+]CC[C@H]2CC(C)(C)CO2)CC1 ZINC000926870504 638819650 /nfs/dbraw/zinc/81/96/50/638819650.db2.gz IDCMDKZHSDOFDB-KRWDZBQOSA-N 1 3 296.499 3.292 20 0 CGADHO CC[C@H](N[C@H]1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC001254507238 806426940 /nfs/dbraw/zinc/42/69/40/806426940.db2.gz KLWBGIHFQIZMNN-HOTGVXAUSA-N 1 3 264.388 3.351 20 0 CGADHO CC[C@H](N[C@H]1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC001254507238 806426944 /nfs/dbraw/zinc/42/69/44/806426944.db2.gz KLWBGIHFQIZMNN-HOTGVXAUSA-N 1 3 264.388 3.351 20 0 CGADHO CN1CCC[C@H]([NH2+][C@@H](c2ccccc2F)C2CC2)CC1 ZINC001254507162 806428011 /nfs/dbraw/zinc/42/80/11/806428011.db2.gz IEZXOMQGFSSNTC-WMLDXEAASA-N 1 3 276.399 3.351 20 0 CGADHO C[N@@H+]1CCC[C@@H](N[C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254510000 806430036 /nfs/dbraw/zinc/43/00/36/806430036.db2.gz LAPWZYKKMSRIGN-SJORKVTESA-N 1 3 276.399 3.351 20 0 CGADHO C[N@H+]1CCC[C@@H](N[C@H](c2cccc(F)c2)C2CC2)CC1 ZINC001254510000 806430040 /nfs/dbraw/zinc/43/00/40/806430040.db2.gz LAPWZYKKMSRIGN-SJORKVTESA-N 1 3 276.399 3.351 20 0 CGADHO C[N@@H+]1CCC[C@H](N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517321 806436332 /nfs/dbraw/zinc/43/63/32/806436332.db2.gz ULIRWUOZQAJVTD-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO C[N@H+]1CCC[C@H](N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001254517321 806436333 /nfs/dbraw/zinc/43/63/33/806436333.db2.gz ULIRWUOZQAJVTD-DLBZAZTESA-N 1 3 276.399 3.447 20 0 CGADHO C[C@@H]1CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135944 806552136 /nfs/dbraw/zinc/55/21/36/806552136.db2.gz GKGJOSUMMFZBKE-NRSFXHEJSA-N 1 3 270.420 3.276 20 0 CGADHO C[C@@H]1CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135944 806552140 /nfs/dbraw/zinc/55/21/40/806552140.db2.gz GKGJOSUMMFZBKE-NRSFXHEJSA-N 1 3 270.420 3.276 20 0 CGADHO c1ccc(CN2CCC[C@@H]([NH2+]Cc3cccnc3)CC2)cc1 ZINC001255380039 806628506 /nfs/dbraw/zinc/62/85/06/806628506.db2.gz ZLVKSWNGBIAOHT-LJQANCHMSA-N 1 3 295.430 3.226 20 0 CGADHO Cc1cc(-n2c3ccccc3nc2[C@@H](C)N)cc(C)[nH+]1 ZINC001162765425 806661043 /nfs/dbraw/zinc/66/10/43/806661043.db2.gz FYXCYTUWQMWMQK-GFCCVEGCSA-N 1 3 266.348 3.057 20 0 CGADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC001255533233 806665970 /nfs/dbraw/zinc/66/59/70/806665970.db2.gz XQBKZVCSIZWMGV-RDJZCZTQSA-N 1 3 290.451 3.041 20 0 CGADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC001255533233 806665976 /nfs/dbraw/zinc/66/59/76/806665976.db2.gz XQBKZVCSIZWMGV-RDJZCZTQSA-N 1 3 290.451 3.041 20 0 CGADHO CCCCN1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000037149947 798861200 /nfs/dbraw/zinc/86/12/00/798861200.db2.gz SIJQGVGZJLCZPP-UHFFFAOYSA-N 1 3 260.425 3.349 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc2c(c1)CCO2 ZINC000037229358 798863284 /nfs/dbraw/zinc/86/32/84/798863284.db2.gz UFQYBQLNTAUOLP-OAHLLOKOSA-N 1 3 288.435 3.148 20 0 CGADHO CC[N@@H+]1CC[C@H](CNCc2c(C)cc(C)cc2C)C1 ZINC000037643777 798871783 /nfs/dbraw/zinc/87/17/83/798871783.db2.gz IUEUYZNHEXQNPS-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO CC[N@H+]1CC[C@H](CNCc2c(C)cc(C)cc2C)C1 ZINC000037643777 798871791 /nfs/dbraw/zinc/87/17/91/798871791.db2.gz IUEUYZNHEXQNPS-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO CCN1CC[C@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000037643777 798871796 /nfs/dbraw/zinc/87/17/96/798871796.db2.gz IUEUYZNHEXQNPS-MRXNPFEDSA-N 1 3 260.425 3.043 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CCNCC1(C)C ZINC000388641813 799454941 /nfs/dbraw/zinc/45/49/41/799454941.db2.gz KHQOKRUOKFKTOO-WFASDCNBSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403514018 799567371 /nfs/dbraw/zinc/56/73/71/799567371.db2.gz AKLYCNBNPZKHRE-HNSVSWJLSA-N 1 3 282.497 3.267 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000700827425 799882053 /nfs/dbraw/zinc/88/20/53/799882053.db2.gz WFDXMXAVEPDDRC-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO CCC(C)(C)C1CCC(N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000702643799 799911648 /nfs/dbraw/zinc/91/16/48/799911648.db2.gz CFWMPJFLTALLDK-JLVJUDLZSA-N 1 3 252.446 3.403 20 0 CGADHO FC1(F)CCCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000702814773 799914797 /nfs/dbraw/zinc/91/47/97/799914797.db2.gz RQKVPKRWLJNVBS-UHFFFAOYSA-N 1 3 286.391 3.015 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccccc1C ZINC001255941339 806789899 /nfs/dbraw/zinc/78/98/99/806789899.db2.gz ORAVZENFUGKZFA-MRXNPFEDSA-N 1 3 262.441 3.248 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001255948469 806793599 /nfs/dbraw/zinc/79/35/99/806793599.db2.gz LQFSDWYELQBDBP-HZPDHXFCSA-N 1 3 292.467 3.423 20 0 CGADHO CC1(C)C[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708815888 799995589 /nfs/dbraw/zinc/99/55/89/799995589.db2.gz RYNVYNJUQNEELS-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)CCN1 ZINC000708815888 799995592 /nfs/dbraw/zinc/99/55/92/799995592.db2.gz RYNVYNJUQNEELS-CVEARBPZSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)C[C@H](C)N1 ZINC000708851600 799997617 /nfs/dbraw/zinc/99/76/17/799997617.db2.gz VMHMTPNFGJLNPA-YALNPMBYSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C3CCCCC3)C2)C[C@H](C)N1 ZINC000708851600 799997619 /nfs/dbraw/zinc/99/76/19/799997619.db2.gz VMHMTPNFGJLNPA-YALNPMBYSA-N 1 3 264.457 3.418 20 0 CGADHO [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2ccccc21 ZINC000712378458 800085165 /nfs/dbraw/zinc/08/51/65/800085165.db2.gz PMRZSGJOZBCMIN-IXDLUCPKSA-N 1 3 256.393 3.300 20 0 CGADHO CCc1nc(CNC2CCC(C)([NH+](C)C)CC2)cs1 ZINC000715544755 800138913 /nfs/dbraw/zinc/13/89/13/800138913.db2.gz UBXIEWSXQXWLLM-UHFFFAOYSA-N 1 3 281.469 3.058 20 0 CGADHO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000715551892 800139016 /nfs/dbraw/zinc/13/90/16/800139016.db2.gz KZDJGRZMFQUUBP-HUUCEWRRSA-N 1 3 278.465 3.371 20 0 CGADHO C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)Cc2ccccc21 ZINC001256073374 806812150 /nfs/dbraw/zinc/81/21/50/806812150.db2.gz SYFVKUHJHRIDLD-CQSZACIVSA-N 1 3 270.420 3.233 20 0 CGADHO CN(C)C1(CNc2ccccc2C2CC2)CC[NH+](C)CC1 ZINC001164217310 806917104 /nfs/dbraw/zinc/91/71/04/806917104.db2.gz UWIDHDCGFCXRFC-UHFFFAOYSA-N 1 3 287.451 3.002 20 0 CGADHO C[N@H+](CCOc1ccccc1)C1CCN(C(C)(C)C)CC1 ZINC001256571449 806919329 /nfs/dbraw/zinc/91/93/29/806919329.db2.gz HFHQJNOFXITYBG-UHFFFAOYSA-N 1 3 290.451 3.260 20 0 CGADHO C[N@@H+](CCOc1ccccc1)C1CCN(C(C)(C)C)CC1 ZINC001256571449 806919333 /nfs/dbraw/zinc/91/93/33/806919333.db2.gz HFHQJNOFXITYBG-UHFFFAOYSA-N 1 3 290.451 3.260 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575806 807208511 /nfs/dbraw/zinc/20/85/11/807208511.db2.gz IDVSDBHWOLIHFI-GJZGRUSLSA-N 1 3 254.462 3.332 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)(C)C)C1 ZINC001167575806 807208516 /nfs/dbraw/zinc/20/85/16/807208516.db2.gz IDVSDBHWOLIHFI-GJZGRUSLSA-N 1 3 254.462 3.332 20 0 CGADHO C(C1CCCCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001119451101 802667703 /nfs/dbraw/zinc/66/77/03/802667703.db2.gz WMOCKXIHZQVLQG-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC001119623565 802686148 /nfs/dbraw/zinc/68/61/48/802686148.db2.gz IZPASPIKNQLSMS-CRAIPNDOSA-N 1 3 287.451 3.244 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC001200811187 811748919 /nfs/dbraw/zinc/74/89/19/811748919.db2.gz CWYAAMDHPOPRLQ-DLBZAZTESA-N 1 3 283.419 3.197 20 0 CGADHO CC(C)(C)Oc1ccccc1CN1CCC(CC[NH3+])CC1 ZINC001206506766 813338236 /nfs/dbraw/zinc/33/82/36/813338236.db2.gz OTQBWWHXWGVWKH-UHFFFAOYSA-N 1 3 290.451 3.425 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057912 803676857 /nfs/dbraw/zinc/67/68/57/803676857.db2.gz WGWUBTCLLYFHKU-UHFFFAOYSA-N 1 3 289.398 3.223 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c[nH]c2c1cccc2F ZINC001137060610 803677772 /nfs/dbraw/zinc/67/77/72/803677772.db2.gz XKXUHJLLDSTOJT-UHFFFAOYSA-N 1 3 291.414 3.471 20 0 CGADHO CC[C@@H]1C[C@@H](NC2Cc3ccccc3C2)C[C@H](CC)[NH2+]1 ZINC001246073870 804112213 /nfs/dbraw/zinc/11/22/13/804112213.db2.gz LDAWDTVNNKBKNI-ALXJQNPVSA-N 1 3 272.436 3.053 20 0 CGADHO CCCC[C@@H]1C[C@H](NCCc2ccccc2F)CC[NH2+]1 ZINC001246074804 804114348 /nfs/dbraw/zinc/11/43/48/804114348.db2.gz QQVDCHDFKQLBHQ-HZPDHXFCSA-N 1 3 278.415 3.269 20 0 CGADHO CC1(CN[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)C[NH2+]C1 ZINC001246095764 804128348 /nfs/dbraw/zinc/12/83/48/804128348.db2.gz SDDVXMSBWUIKAA-GFCCVEGCSA-N 1 3 299.245 3.050 20 0 CGADHO CC1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CNC1 ZINC001246095764 804128355 /nfs/dbraw/zinc/12/83/55/804128355.db2.gz SDDVXMSBWUIKAA-GFCCVEGCSA-N 1 3 299.245 3.050 20 0 CGADHO CC[C@@H]1CC(NCCc2ccc(C)cc2)C[C@@H](CC)[NH2+]1 ZINC001246099209 804131272 /nfs/dbraw/zinc/13/12/72/804131272.db2.gz QROPCGFFMOUDAW-IAGOWNOFSA-N 1 3 274.452 3.436 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246100039 804133395 /nfs/dbraw/zinc/13/33/95/804133395.db2.gz NMKXIBVTJHHQLY-AVGNSLFASA-N 1 3 298.833 3.245 20 0 CGADHO CC1(C)CCC(NC[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112643 804142492 /nfs/dbraw/zinc/14/24/92/804142492.db2.gz LVEPCNPNNBLAJB-HNNXBMFYSA-N 1 3 256.409 3.027 20 0 CGADHO c1ccc([C@H]2CCC[C@@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246119071 804151207 /nfs/dbraw/zinc/15/12/07/804151207.db2.gz AWNVFEPWPPCSNH-BBWFWOEESA-N 1 3 258.409 3.054 20 0 CGADHO Cc1ccc(CCN[C@@H]2CC[NH2+][C@@H](C(C)C)C2)c(C)c1 ZINC001246158479 804173636 /nfs/dbraw/zinc/17/36/36/804173636.db2.gz KBFSBYGQAGYJMO-QZTJIDSGSA-N 1 3 274.452 3.212 20 0 CGADHO Cc1ccccc1OCCCN[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246173125 804187967 /nfs/dbraw/zinc/18/79/67/804187967.db2.gz ZTQVZJGWTVCXLM-IAGOWNOFSA-N 1 3 290.451 3.130 20 0 CGADHO CC(C)(Cc1ccc(F)cc1)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246175462 804189571 /nfs/dbraw/zinc/18/95/71/804189571.db2.gz ZOBSXELKELMHGM-HNNXBMFYSA-N 1 3 278.415 3.267 20 0 CGADHO CCC(CC)(N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC001246185681 804196860 /nfs/dbraw/zinc/19/68/60/804196860.db2.gz WIXXWJWGTRPSHG-INIZCTEOSA-N 1 3 260.425 3.434 20 0 CGADHO c1ccc(C2(NC3CC[NH2+]CC3)CCCCC2)cc1 ZINC001246231289 804223444 /nfs/dbraw/zinc/22/34/44/804223444.db2.gz POEXKVBAAYXYPH-UHFFFAOYSA-N 1 3 258.409 3.188 20 0 CGADHO c1ccc(C2([NH2+]C3CCNCC3)CCCCC2)cc1 ZINC001246231289 804223451 /nfs/dbraw/zinc/22/34/51/804223451.db2.gz POEXKVBAAYXYPH-UHFFFAOYSA-N 1 3 258.409 3.188 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246240273 804231862 /nfs/dbraw/zinc/23/18/62/804231862.db2.gz QPHKUGAGMINBEY-JONQDZQNSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C(C)(C)C)CC2)CCN1 ZINC001246239186 804232483 /nfs/dbraw/zinc/23/24/83/804232483.db2.gz HLMSBQVJBSDTMA-TUVASFSCSA-N 1 3 252.446 3.321 20 0 CGADHO CC(C)CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246240272 804232718 /nfs/dbraw/zinc/23/27/18/804232718.db2.gz QPHKUGAGMINBEY-CAOSSQGBSA-N 1 3 252.446 3.464 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]Cc1c[nH]c2ccccc12 ZINC001246244146 804235457 /nfs/dbraw/zinc/23/54/57/804235457.db2.gz KSKYWBKKAHVJHL-CQSZACIVSA-N 1 3 273.424 3.378 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CCN1 ZINC001246251658 804238576 /nfs/dbraw/zinc/23/85/76/804238576.db2.gz RVMBQRIYZVFGIW-TUVASFSCSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(C)c(C)c1 ZINC001246308876 804271465 /nfs/dbraw/zinc/27/14/65/804271465.db2.gz STYDJVVDGMRRRG-IAGOWNOFSA-N 1 3 260.425 3.486 20 0 CGADHO CC(C)C[C@H]([NH3+])CN[C@H]1CCc2c(Cl)cccc2C1 ZINC001246313653 804275375 /nfs/dbraw/zinc/27/53/75/804275375.db2.gz VIZSFTOAJORKJB-KBPBESRZSA-N 1 3 280.843 3.160 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3sccc32)CN1 ZINC001246317886 804277455 /nfs/dbraw/zinc/27/74/55/804277455.db2.gz OPZBMOZGKQCIEA-DGCLKSJQSA-N 1 3 260.406 3.131 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246329425 804284907 /nfs/dbraw/zinc/28/49/07/804284907.db2.gz PWPGTQUQYLDVNR-MXASKKJJSA-N 1 3 258.409 3.053 20 0 CGADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246330352 804286021 /nfs/dbraw/zinc/28/60/21/804286021.db2.gz YCXKVNRVNVBLCR-NXEZZACHSA-N 1 3 275.223 3.109 20 0 CGADHO CC[C@@H]1C[C@@H](N[C@H]2CC23CCCC3)C[C@H](CC)[NH2+]1 ZINC001246333632 804288555 /nfs/dbraw/zinc/28/85/55/804288555.db2.gz KVVWRCVAVWFFQD-XGUBFFRZSA-N 1 3 250.430 3.218 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CCCc2cccc(N)c2)CCN1 ZINC001246358203 804304143 /nfs/dbraw/zinc/30/41/43/804304143.db2.gz YOMVYGQEEQLCRS-MSOLQXFVSA-N 1 3 289.467 3.102 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246368988 804308468 /nfs/dbraw/zinc/30/84/68/804308468.db2.gz AZNNJINOMBISBH-MSOLQXFVSA-N 1 3 286.463 3.158 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC1(C)C ZINC001246371956 804309887 /nfs/dbraw/zinc/30/98/87/804309887.db2.gz KIRCLYVXCGSIQU-SWLSCSKDSA-N 1 3 296.455 3.284 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH2+]C1(CCOC)CCNCC1 ZINC001246391611 804317167 /nfs/dbraw/zinc/31/71/67/804317167.db2.gz NURAWHMYMGJKDH-INIZCTEOSA-N 1 3 284.488 3.340 20 0 CGADHO C[C@H]1CC[C@H](NCCCCc2ccc(Cl)cc2)C[NH2+]1 ZINC001246413227 804326708 /nfs/dbraw/zinc/32/67/08/804326708.db2.gz OOWIZDNBZIVAIY-BBRMVZONSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3)C2(C)C ZINC001246443217 804333494 /nfs/dbraw/zinc/33/34/94/804333494.db2.gz MEBGKDRHLRVKTA-IMDKATDPSA-N 1 3 276.468 3.320 20 0 CGADHO CC1(C)CC[C@H]([NH2+]C2(CC3CCC3)CCNCC2)C1 ZINC001246449132 804336163 /nfs/dbraw/zinc/33/61/63/804336163.db2.gz WQMFDEVKCCFOSL-HNNXBMFYSA-N 1 3 264.457 3.467 20 0 CGADHO CC[C@@]1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC001246457352 804338606 /nfs/dbraw/zinc/33/86/06/804338606.db2.gz SRLMMYHQGLQXTQ-AGIUHOORSA-N 1 3 278.362 3.229 20 0 CGADHO CN[C@H]1C[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246463621 804343272 /nfs/dbraw/zinc/34/32/72/804343272.db2.gz WIEJAGXYYOAVKB-VCHIKBFPSA-N 1 3 284.447 3.153 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](NC)C1 ZINC001246463940 804344075 /nfs/dbraw/zinc/34/40/75/804344075.db2.gz XVAJYZYPUIDGSS-ULQDDVLXSA-N 1 3 260.425 3.128 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)N[C@H]1C[C@H]([NH2+]C)C1 ZINC001246463940 804344081 /nfs/dbraw/zinc/34/40/81/804344081.db2.gz XVAJYZYPUIDGSS-ULQDDVLXSA-N 1 3 260.425 3.128 20 0 CGADHO C[C@H](CSc1ccc(Cl)cc1)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001246466650 804346724 /nfs/dbraw/zinc/34/67/24/804346724.db2.gz XJYFJQYGPTVZDC-QKCSRTOESA-N 1 3 284.856 3.290 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246474616 804350649 /nfs/dbraw/zinc/35/06/49/804350649.db2.gz RHEZTWDWFUIOCP-IAGOWNOFSA-N 1 3 272.436 3.130 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C(C)C)C1CNC1 ZINC001246514284 804370474 /nfs/dbraw/zinc/37/04/74/804370474.db2.gz GDVSOYLZSGCKTI-LZWOXQAQSA-N 1 3 254.462 3.281 20 0 CGADHO C[C@H]1C[NH2+]C[C@@H](N[C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001246500519 804361918 /nfs/dbraw/zinc/36/19/18/804361918.db2.gz WXPXEMUAMYALBW-UBDQQSCGSA-N 1 3 272.436 3.300 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](NC)C1 ZINC001246500661 804362465 /nfs/dbraw/zinc/36/24/65/804362465.db2.gz XVAJYZYPUIDGSS-ZACQAIPSSA-N 1 3 260.425 3.128 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]C)C1 ZINC001246500661 804362472 /nfs/dbraw/zinc/36/24/72/804362472.db2.gz XVAJYZYPUIDGSS-ZACQAIPSSA-N 1 3 260.425 3.128 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246499195 804362785 /nfs/dbraw/zinc/36/27/85/804362785.db2.gz SWLLHHDABDBXNZ-MELADBBJSA-N 1 3 296.480 3.410 20 0 CGADHO C[NH2+][C@H]1C[C@@H](N[C@@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001246499195 804362795 /nfs/dbraw/zinc/36/27/95/804362795.db2.gz SWLLHHDABDBXNZ-MELADBBJSA-N 1 3 296.480 3.410 20 0 CGADHO CC(C)[C@@H]1C[C@@H](N[C@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC001246508127 804366604 /nfs/dbraw/zinc/36/66/04/804366604.db2.gz DHCDNXIWTOHWRI-ULQDDVLXSA-N 1 3 292.854 3.173 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C1CC1)C1CNC1 ZINC001246513283 804366904 /nfs/dbraw/zinc/36/69/04/804366904.db2.gz CHAFIBRXNFVCSB-RBUKOAKNSA-N 1 3 286.463 3.376 20 0 CGADHO CC[C@@H](N[C@@H](C)CSc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC001246513370 804369145 /nfs/dbraw/zinc/36/91/45/804369145.db2.gz DLWHYZODVONJMR-XHDPSFHLSA-N 1 3 298.883 3.408 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+][C@@H](C2CCC2)C2CNC2)cc1 ZINC001246513908 804369815 /nfs/dbraw/zinc/36/98/15/804369815.db2.gz FYPHDQXCQXHIPR-KUHUBIRLSA-N 1 3 286.463 3.158 20 0 CGADHO Clc1ccc([C@@H](C[NH2+]C2CCNCC2)C2CC2)cc1 ZINC001246514722 804370368 /nfs/dbraw/zinc/37/03/68/804370368.db2.gz KRPJCJVWRZCVRM-INIZCTEOSA-N 1 3 278.827 3.175 20 0 CGADHO CC[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)C1CNC1 ZINC001246519337 804373132 /nfs/dbraw/zinc/37/31/32/804373132.db2.gz RTAYAGCISPOANK-YMAMQOFZSA-N 1 3 252.446 3.179 20 0 CGADHO C[NH2+]C[C@H]1CCCN([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001246538335 804388179 /nfs/dbraw/zinc/38/81/79/804388179.db2.gz BOBHYYGEAUQOFU-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H]1c2ccccc2CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546265 804395369 /nfs/dbraw/zinc/39/53/69/804395369.db2.gz JLGCBADISLDFQA-MXASKKJJSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546265 804395378 /nfs/dbraw/zinc/39/53/78/804395378.db2.gz JLGCBADISLDFQA-MXASKKJJSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546265 804395387 /nfs/dbraw/zinc/39/53/87/804395387.db2.gz JLGCBADISLDFQA-MXASKKJJSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1c2ccccc2CCN1[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246548997 804399106 /nfs/dbraw/zinc/39/91/06/804399106.db2.gz ORVJIOMUZHXWDO-UKRRQHHQSA-N 1 3 258.409 3.136 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246549934 804401261 /nfs/dbraw/zinc/40/12/61/804401261.db2.gz MKVWBNLMABDUDA-PVAVHDDUSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246549934 804401265 /nfs/dbraw/zinc/40/12/65/804401265.db2.gz MKVWBNLMABDUDA-PVAVHDDUSA-N 1 3 258.409 3.354 20 0 CGADHO CCCC1CCC([N@@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246564297 804414047 /nfs/dbraw/zinc/41/40/47/804414047.db2.gz MKOVSKCGEOIKMR-JWMHWRSXSA-N 1 3 252.446 3.405 20 0 CGADHO CCCC1CCC([N@H+]2CCC[C@H](CN)[C@@H]2C)CC1 ZINC001246564297 804414049 /nfs/dbraw/zinc/41/40/49/804414049.db2.gz MKOVSKCGEOIKMR-JWMHWRSXSA-N 1 3 252.446 3.405 20 0 CGADHO CC[C@H](Cc1ccccc1)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246576384 804422807 /nfs/dbraw/zinc/42/28/07/804422807.db2.gz JYCWZAKZOKLBQF-SJORKVTESA-N 1 3 278.415 3.161 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246602088 804440085 /nfs/dbraw/zinc/44/00/85/804440085.db2.gz IYOAKHDLFZFADL-YCPHGPKFSA-N 1 3 250.430 3.029 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]23CCCNC3)CC(C)(C)C1 ZINC001246602088 804440088 /nfs/dbraw/zinc/44/00/88/804440088.db2.gz IYOAKHDLFZFADL-YCPHGPKFSA-N 1 3 250.430 3.029 20 0 CGADHO CC(C)CC(CC(C)C)N1CCC[C@@]2(CC[NH2+]2)C1 ZINC001246614909 804448587 /nfs/dbraw/zinc/44/85/87/804448587.db2.gz VQRJLRBOVAGPOW-MRXNPFEDSA-N 1 3 252.446 3.275 20 0 CGADHO C1CC2(C1)C[C@H]([N@@H+]1CCCC3(CCCC3)C1)CCN2 ZINC001246617749 804451991 /nfs/dbraw/zinc/45/19/91/804451991.db2.gz YWWCSFLYIXWIAH-OAHLLOKOSA-N 1 3 262.441 3.317 20 0 CGADHO C1CC2(C1)C[C@H]([N@H+]1CCCC3(CCCC3)C1)CCN2 ZINC001246617749 804451993 /nfs/dbraw/zinc/45/19/93/804451993.db2.gz YWWCSFLYIXWIAH-OAHLLOKOSA-N 1 3 262.441 3.317 20 0 CGADHO CCCC[C@@H](CC(C)C)[NH+]1CC2(C1)CCCNC2 ZINC001246619303 804453509 /nfs/dbraw/zinc/45/35/09/804453509.db2.gz LQDOOKJXPNECMS-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@@H](CC(C)C)N1CC2(C1)CCC[NH2+]C2 ZINC001246619303 804453514 /nfs/dbraw/zinc/45/35/14/804453514.db2.gz LQDOOKJXPNECMS-HNNXBMFYSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCCC[C@H](CC)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246618596 804454032 /nfs/dbraw/zinc/45/40/32/804454032.db2.gz HUAIDVPPMAVLSU-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@H](CC)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246618596 804454035 /nfs/dbraw/zinc/45/40/35/804454035.db2.gz HUAIDVPPMAVLSU-HRCADAONSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246634347 804464376 /nfs/dbraw/zinc/46/43/76/804464376.db2.gz BVUOZYOAXYSCNV-OKZBNKHCSA-N 1 3 296.499 3.149 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N3CC[C@H]4[NH2+]CC[C@H]43)C2)cc1 ZINC001246634678 804464435 /nfs/dbraw/zinc/46/44/35/804464435.db2.gz AOZUEHCJBNRLAL-WNRNVDISSA-N 1 3 270.420 3.149 20 0 CGADHO CCCC[C@H](CCC)[N@@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642422 804468893 /nfs/dbraw/zinc/46/88/93/804468893.db2.gz WNVRLBHAZBOSMB-DLBZAZTESA-N 1 3 282.472 3.047 20 0 CGADHO CCCC[C@H](CCC)[N@H+]1CCOC[C@@]2(CCCNC2)C1 ZINC001246642422 804468896 /nfs/dbraw/zinc/46/88/96/804468896.db2.gz WNVRLBHAZBOSMB-DLBZAZTESA-N 1 3 282.472 3.047 20 0 CGADHO [NH3+]CC12CC(C1)CN2[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001246644355 804472629 /nfs/dbraw/zinc/47/26/29/804472629.db2.gz GTDXPGSLFUIEOP-FFDQMNFHSA-N 1 3 270.420 3.136 20 0 CGADHO CCC[C@H](Cc1ccccc1)N1CCC2(CC[NH2+]2)CC1 ZINC001246646539 804473672 /nfs/dbraw/zinc/47/36/72/804473672.db2.gz FTFMCZBFQNHDBQ-QGZVFWFLSA-N 1 3 272.436 3.226 20 0 CGADHO CC1(C)CC[C@@H]([N@@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246652454 804479002 /nfs/dbraw/zinc/47/90/02/804479002.db2.gz PELOPWLPTOUKGK-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO CC1(C)CC[C@@H]([N@H+]2CCCC[C@]23CCCNC3)C1 ZINC001246652454 804479003 /nfs/dbraw/zinc/47/90/03/804479003.db2.gz PELOPWLPTOUKGK-GDBMZVCRSA-N 1 3 250.430 3.173 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N3C[C@@H]4CC[NH2+][C@@H]4C3)C2)cc1 ZINC001246654170 804480178 /nfs/dbraw/zinc/48/01/78/804480178.db2.gz VHMKBPJEDFERLZ-XLAORIBOSA-N 1 3 270.420 3.007 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656166 804481052 /nfs/dbraw/zinc/48/10/52/804481052.db2.gz MPOQDXQVBHMSSM-RQJABVFESA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656166 804481055 /nfs/dbraw/zinc/48/10/55/804481055.db2.gz MPOQDXQVBHMSSM-RQJABVFESA-N 1 3 292.389 3.285 20 0 CGADHO CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246656166 804481059 /nfs/dbraw/zinc/48/10/59/804481059.db2.gz MPOQDXQVBHMSSM-RQJABVFESA-N 1 3 292.389 3.285 20 0 CGADHO CCCCCC1CCC([N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001246658625 804482775 /nfs/dbraw/zinc/48/27/75/804482775.db2.gz CSUMPINWZDGZIY-VXSNREPFSA-N 1 3 250.430 3.014 20 0 CGADHO CCCCCC1CCC([N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001246658625 804482781 /nfs/dbraw/zinc/48/27/81/804482781.db2.gz CSUMPINWZDGZIY-VXSNREPFSA-N 1 3 250.430 3.014 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC001246775945 804505837 /nfs/dbraw/zinc/50/58/37/804505837.db2.gz LIOQJRHBIHANGP-CABCVRRESA-N 1 3 278.465 3.146 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246779659 804507883 /nfs/dbraw/zinc/50/78/83/804507883.db2.gz IIBUXCQPVHAWRU-ROUUACIJSA-N 1 3 274.452 3.315 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246779659 804507890 /nfs/dbraw/zinc/50/78/90/804507890.db2.gz IIBUXCQPVHAWRU-ROUUACIJSA-N 1 3 274.452 3.315 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC(c2ccc(F)cc2)CC1 ZINC001246787567 804511608 /nfs/dbraw/zinc/51/16/08/804511608.db2.gz QJTWYHBIZPAALP-CYBMUJFWSA-N 1 3 264.388 3.003 20 0 CGADHO CCC[C@@H]1CCCC[N@@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246787469 804512193 /nfs/dbraw/zinc/51/21/93/804512193.db2.gz CXOWJKZRAPHMPJ-HUUCEWRRSA-N 1 3 250.430 3.316 20 0 CGADHO CCC[C@@H]1CCCC[N@H+]1[C@@H]1CCNC2(CCC2)C1 ZINC001246787469 804512198 /nfs/dbraw/zinc/51/21/98/804512198.db2.gz CXOWJKZRAPHMPJ-HUUCEWRRSA-N 1 3 250.430 3.316 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789021 804513056 /nfs/dbraw/zinc/51/30/56/804513056.db2.gz ANUAAKXLZWEFJS-GOSISDBHSA-N 1 3 286.463 3.473 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CCCC2(CNC2)C1 ZINC001246789021 804513061 /nfs/dbraw/zinc/51/30/61/804513061.db2.gz ANUAAKXLZWEFJS-GOSISDBHSA-N 1 3 286.463 3.473 20 0 CGADHO CCCC[C@H](Cc1ccccc1)N1CCCC2(C[NH2+]C2)C1 ZINC001246789021 804513067 /nfs/dbraw/zinc/51/30/67/804513067.db2.gz ANUAAKXLZWEFJS-GOSISDBHSA-N 1 3 286.463 3.473 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+](CC2CC2)C(C)C)C[C@H](CC)N1 ZINC001246788651 804513425 /nfs/dbraw/zinc/51/34/25/804513425.db2.gz HQGLGZPXVRACQQ-ZSHCYNCHSA-N 1 3 252.446 3.416 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+](CC2CC2)C(C)C)C[C@H](CC)N1 ZINC001246788651 804513430 /nfs/dbraw/zinc/51/34/30/804513430.db2.gz HQGLGZPXVRACQQ-ZSHCYNCHSA-N 1 3 252.446 3.416 20 0 CGADHO c1ccc(C[C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791496 804515584 /nfs/dbraw/zinc/51/55/84/804515584.db2.gz JWWQRMSYILSYDN-OKYOBFRVSA-N 1 3 284.447 3.224 20 0 CGADHO c1ccc(C[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C2)cc1 ZINC001246791496 804515586 /nfs/dbraw/zinc/51/55/86/804515586.db2.gz JWWQRMSYILSYDN-OKYOBFRVSA-N 1 3 284.447 3.224 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C(C)(C)OC)CCN1 ZINC001246812385 804528987 /nfs/dbraw/zinc/52/89/87/804528987.db2.gz ZPBOSSPJAZQOFT-OWCLPIDISA-N 1 3 282.472 3.187 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)OC)CCN1 ZINC001246812385 804528991 /nfs/dbraw/zinc/52/89/91/804528991.db2.gz ZPBOSSPJAZQOFT-OWCLPIDISA-N 1 3 282.472 3.187 20 0 CGADHO CC(C)[C@@H]1C[C@H](N2CCCc3ccccc3C2)CC[NH2+]1 ZINC001246815451 804531661 /nfs/dbraw/zinc/53/16/61/804531661.db2.gz CVTLFUZEWJMFQK-MSOLQXFVSA-N 1 3 272.436 3.211 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)N1 ZINC001246843397 804552079 /nfs/dbraw/zinc/55/20/79/804552079.db2.gz WALPZKQSMSITMD-HUSMAVQQSA-N 1 3 252.446 3.274 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](CC)N1 ZINC001246843397 804552083 /nfs/dbraw/zinc/55/20/83/804552083.db2.gz WALPZKQSMSITMD-HUSMAVQQSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]1CC[C@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C[NH2+]1 ZINC001246847205 804555872 /nfs/dbraw/zinc/55/58/72/804555872.db2.gz JQAIBBOZKOLMMH-YCPHGPKFSA-N 1 3 298.434 3.164 20 0 CGADHO CCCC[C@@H](C)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880786 804576093 /nfs/dbraw/zinc/57/60/93/804576093.db2.gz SHSRUHOPFINHAN-NXHRZFHOSA-N 1 3 272.436 3.038 20 0 CGADHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246887206 804580991 /nfs/dbraw/zinc/58/09/91/804580991.db2.gz KEHYYVMXNPYYIC-ILXRZTDVSA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246887206 804580987 /nfs/dbraw/zinc/58/09/87/804580987.db2.gz KEHYYVMXNPYYIC-ILXRZTDVSA-N 1 3 252.446 3.274 20 0 CGADHO CCC[N@H+](C1CCNCC1)[C@H]1CSc2ccccc2C1 ZINC001246894589 804584472 /nfs/dbraw/zinc/58/44/72/804584472.db2.gz OBAWTXHPQUNLNX-MRXNPFEDSA-N 1 3 290.476 3.167 20 0 CGADHO CCC[N@@H+](C1CCNCC1)[C@H]1CSc2ccccc2C1 ZINC001246894589 804584477 /nfs/dbraw/zinc/58/44/77/804584477.db2.gz OBAWTXHPQUNLNX-MRXNPFEDSA-N 1 3 290.476 3.167 20 0 CGADHO CCCN(C1CC[NH2+]CC1)[C@H]1CSc2ccccc2C1 ZINC001246894589 804584481 /nfs/dbraw/zinc/58/44/81/804584481.db2.gz OBAWTXHPQUNLNX-MRXNPFEDSA-N 1 3 290.476 3.167 20 0 CGADHO CC[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246938307 804610600 /nfs/dbraw/zinc/61/06/00/804610600.db2.gz LXSRINKTYKMMLS-KKUMJFAQSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C(C)(C)C)C1 ZINC001246938307 804610606 /nfs/dbraw/zinc/61/06/06/804610606.db2.gz LXSRINKTYKMMLS-KKUMJFAQSA-N 1 3 252.446 3.418 20 0 CGADHO COc1cccc(C2CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC001246944324 804612354 /nfs/dbraw/zinc/61/23/54/804612354.db2.gz WSDRRAOSLVZHBC-WMLDXEAASA-N 1 3 288.435 3.015 20 0 CGADHO COc1cccc(C2CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)c1 ZINC001246944324 804612357 /nfs/dbraw/zinc/61/23/57/804612357.db2.gz WSDRRAOSLVZHBC-WMLDXEAASA-N 1 3 288.435 3.015 20 0 CGADHO Cc1ccc(SC[C@@H](C)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001246964238 804619526 /nfs/dbraw/zinc/61/95/26/804619526.db2.gz BXKXUSOBZOWSIJ-ZBFHGGJFSA-N 1 3 278.465 3.146 20 0 CGADHO CC(C)[N@H+]([C@@H]1CCNC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969262 804621192 /nfs/dbraw/zinc/62/11/92/804621192.db2.gz ULJYZQSPHRKYQQ-RBSFLKMASA-N 1 3 252.446 3.274 20 0 CGADHO CC(C)[N@@H+]([C@@H]1CCNC1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246969262 804621194 /nfs/dbraw/zinc/62/11/94/804621194.db2.gz ULJYZQSPHRKYQQ-RBSFLKMASA-N 1 3 252.446 3.274 20 0 CGADHO Cc1ccc2c(c1)nc([C@@H]1CCCCN1)n2C1CC[NH2+]CC1 ZINC001247040638 804648286 /nfs/dbraw/zinc/64/82/86/804648286.db2.gz WLTSEPYCIXXWNM-HNNXBMFYSA-N 1 3 298.434 3.084 20 0 CGADHO Cc1ccc2c(C[NH+]3CCC4(CN(C)C4)CC3)cccc2n1 ZINC001248573601 804956179 /nfs/dbraw/zinc/95/61/79/804956179.db2.gz LKEIUZYKTPWPNL-UHFFFAOYSA-N 1 3 295.430 3.071 20 0 CGADHO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001257219048 807065662 /nfs/dbraw/zinc/06/56/62/807065662.db2.gz CILUECSGNDTEPH-GFCCVEGCSA-N 1 3 278.362 3.134 20 0 CGADHO CC(C)N1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001257219048 807065671 /nfs/dbraw/zinc/06/56/71/807065671.db2.gz CILUECSGNDTEPH-GFCCVEGCSA-N 1 3 278.362 3.134 20 0 CGADHO CCCCCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257365656 807126380 /nfs/dbraw/zinc/12/63/80/807126380.db2.gz NRJTXYVDAAQLSN-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CCCCCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257365656 807126385 /nfs/dbraw/zinc/12/63/85/807126385.db2.gz NRJTXYVDAAQLSN-XHSDSOJGSA-N 1 3 252.446 3.229 20 0 CGADHO CC[C@H](C)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001257446498 807160607 /nfs/dbraw/zinc/16/06/07/807160607.db2.gz NJOCWEWSDHBVCP-JQHSSLGASA-N 1 3 272.436 3.239 20 0 CGADHO CC[C@H](C)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001257446498 807160609 /nfs/dbraw/zinc/16/06/09/807160609.db2.gz NJOCWEWSDHBVCP-JQHSSLGASA-N 1 3 272.436 3.239 20 0 CGADHO CCCCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001257509314 807186691 /nfs/dbraw/zinc/18/66/91/807186691.db2.gz PZWMGNLUABJLQV-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO CCCCC[C@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC001257509314 807186695 /nfs/dbraw/zinc/18/66/95/807186695.db2.gz PZWMGNLUABJLQV-HNNXBMFYSA-N 1 3 261.413 3.172 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067807 807288221 /nfs/dbraw/zinc/28/82/21/807288221.db2.gz UTXKOQUKZRCFHK-VQHPVUNQSA-N 1 3 266.473 3.331 20 0 CGADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258067807 807288223 /nfs/dbraw/zinc/28/82/23/807288223.db2.gz UTXKOQUKZRCFHK-VQHPVUNQSA-N 1 3 266.473 3.331 20 0 CGADHO CC1(C)CCC(C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001168175746 807334629 /nfs/dbraw/zinc/33/46/29/807334629.db2.gz QNNJPMJXZZJYJT-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO CC1(C)CCC(CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001168175746 807334636 /nfs/dbraw/zinc/33/46/36/807334636.db2.gz QNNJPMJXZZJYJT-UHFFFAOYSA-N 1 3 287.451 3.420 20 0 CGADHO Cc1ncccc1[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC001168368348 807395932 /nfs/dbraw/zinc/39/59/32/807395932.db2.gz IYMDFMQYQPPMHP-IBGZPJMESA-N 1 3 299.462 3.305 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)CC(C)(C)SC ZINC001258320316 807408842 /nfs/dbraw/zinc/40/88/42/807408842.db2.gz QARVTYSFHHKFPY-CYBMUJFWSA-N 1 3 260.491 3.228 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168704748 807490274 /nfs/dbraw/zinc/49/02/74/807490274.db2.gz PBFSFIXKRSWECU-RBSFLKMASA-N 1 3 292.854 3.270 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168704750 807490313 /nfs/dbraw/zinc/49/03/13/807490313.db2.gz PBFSFIXKRSWECU-SOUVJXGZSA-N 1 3 292.854 3.270 20 0 CGADHO C[C@@H]1C[C@H]([NH+]2CCN(c3ccncc3)CC2)CC(C)(C)C1 ZINC001258694349 807549170 /nfs/dbraw/zinc/54/91/70/807549170.db2.gz PQLXCVFEXWSUPU-WBVHZDCISA-N 1 3 287.451 3.418 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC001169078379 807568182 /nfs/dbraw/zinc/56/81/82/807568182.db2.gz DRGXJCFWWCTNMA-QDMKHBRRSA-N 1 3 298.352 3.420 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)cc1F ZINC001169107460 807577787 /nfs/dbraw/zinc/57/77/87/807577787.db2.gz HHDMTSJTPLGOHH-CYUUQNCZSA-N 1 3 292.398 3.110 20 0 CGADHO CCC[NH+]1CCC(N2CC[C@H](C)C(F)(F)CC2)CC1 ZINC001258771734 807605238 /nfs/dbraw/zinc/60/52/38/807605238.db2.gz RINZUBKHMDQUJO-ZDUSSCGKSA-N 1 3 274.399 3.228 20 0 CGADHO C(C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)CN1CCCC1 ZINC001262160634 807831131 /nfs/dbraw/zinc/83/11/31/807831131.db2.gz KYVNONPZGSWYBH-MSOLQXFVSA-N 1 3 294.483 3.047 20 0 CGADHO CO[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC001262202619 807837258 /nfs/dbraw/zinc/83/72/58/807837258.db2.gz YKTJJZDYRDIFGM-ARFHVFGLSA-N 1 3 294.414 3.009 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171332457 808030005 /nfs/dbraw/zinc/03/00/05/808030005.db2.gz GMSUZYSMTXHXJJ-OAHLLOKOSA-N 1 3 296.405 3.144 20 0 CGADHO CN1C(C)(C)CC([NH2+][C@@H]2CC[C@@H](F)C2)CC1(C)C ZINC001171614298 808105423 /nfs/dbraw/zinc/10/54/23/808105423.db2.gz XDNPUWRNFUHPRP-VXGBXAGGSA-N 1 3 256.409 3.118 20 0 CGADHO C[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@@]1(C)O ZINC001171632118 808109758 /nfs/dbraw/zinc/10/97/58/808109758.db2.gz VJWJPNNUZIRRBM-KBXCAEBGSA-N 1 3 296.499 3.121 20 0 CGADHO C[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@@]1(C)O ZINC001171632118 808109763 /nfs/dbraw/zinc/10/97/63/808109763.db2.gz VJWJPNNUZIRRBM-KBXCAEBGSA-N 1 3 296.499 3.121 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3ncccc31)C2 ZINC001172104255 808175137 /nfs/dbraw/zinc/17/51/37/808175137.db2.gz BHRLXHNHFLAUQI-ZXFNITATSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCCc3ncccc31)C2 ZINC001172104255 808175141 /nfs/dbraw/zinc/17/51/41/808175141.db2.gz BHRLXHNHFLAUQI-ZXFNITATSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3cnccc31)C2 ZINC001172110519 808178053 /nfs/dbraw/zinc/17/80/53/808178053.db2.gz OARBBTGSMLXFCI-KYHPRHEASA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3cnccc31)C2 ZINC001172110519 808178057 /nfs/dbraw/zinc/17/80/57/808178057.db2.gz OARBBTGSMLXFCI-KYHPRHEASA-N 1 3 285.435 3.064 20 0 CGADHO Cc1cc([C@@H]2CCC[N@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114658 808180619 /nfs/dbraw/zinc/18/06/19/808180619.db2.gz RXCLJDANVKWGGD-HWMZRRJGSA-N 1 3 289.423 3.135 20 0 CGADHO Cc1cc([C@@H]2CCC[N@@H+]2[C@H]2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001172114658 808180623 /nfs/dbraw/zinc/18/06/23/808180623.db2.gz RXCLJDANVKWGGD-HWMZRRJGSA-N 1 3 289.423 3.135 20 0 CGADHO C[C@@H]1CC[C@H]([NH+]2CCN(c3ccncc3)CC2)C[C@@H]1C ZINC001172369315 808264610 /nfs/dbraw/zinc/26/46/10/808264610.db2.gz ZWXQUKDIPZLXKI-VYDXJSESSA-N 1 3 273.424 3.028 20 0 CGADHO CCCCCC[C@H](CCC)[NH+]1CCN(CCN(C)C)CC1 ZINC001172389238 808279875 /nfs/dbraw/zinc/27/98/75/808279875.db2.gz VONLYOBHTMEMNB-SFHVURJKSA-N 1 3 297.531 3.305 20 0 CGADHO CCOCC[C@H](C)[NH2+]C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC001172422299 808303653 /nfs/dbraw/zinc/30/36/53/808303653.db2.gz DYDVHIHWUKBWQH-DLBZAZTESA-N 1 3 294.483 3.212 20 0 CGADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537869 808371591 /nfs/dbraw/zinc/37/15/91/808371591.db2.gz WWRCZNQEESYMMS-UAGQMJEPSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537869 808371600 /nfs/dbraw/zinc/37/16/00/808371600.db2.gz WWRCZNQEESYMMS-UAGQMJEPSA-N 1 3 260.425 3.239 20 0 CGADHO CC[NH+](CC)C1CCC(N(C)Cc2cncs2)CC1 ZINC001173114172 808513717 /nfs/dbraw/zinc/51/37/17/808513717.db2.gz YJTQZWDWQSSXEP-UHFFFAOYSA-N 1 3 281.469 3.228 20 0 CGADHO CC(C)[N@H+](CCCN)C1CCC(Oc2ccccc2)CC1 ZINC001173197869 808534649 /nfs/dbraw/zinc/53/46/49/808534649.db2.gz LVCDQZPJEPBHBW-UHFFFAOYSA-N 1 3 290.451 3.436 20 0 CGADHO CC(C)[N@@H+](CCCN)C1CCC(Oc2ccccc2)CC1 ZINC001173197869 808534657 /nfs/dbraw/zinc/53/46/57/808534657.db2.gz LVCDQZPJEPBHBW-UHFFFAOYSA-N 1 3 290.451 3.436 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc3c1CCC3)C2 ZINC001277477890 809077734 /nfs/dbraw/zinc/07/77/34/809077734.db2.gz CXJQWCRHLOVLDF-IBGZPJMESA-N 1 3 284.447 3.093 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc3c1CCC3)C2 ZINC001277477890 809077743 /nfs/dbraw/zinc/07/77/43/809077743.db2.gz CXJQWCRHLOVLDF-IBGZPJMESA-N 1 3 284.447 3.093 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001174703961 809137885 /nfs/dbraw/zinc/13/78/85/809137885.db2.gz ASKPNVPBYGZXIX-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001174703961 809137888 /nfs/dbraw/zinc/13/78/88/809137888.db2.gz ASKPNVPBYGZXIX-INIZCTEOSA-N 1 3 252.446 3.230 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(CC4CCC4)c3)[C@@H]2C1 ZINC001179817922 809948915 /nfs/dbraw/zinc/94/89/15/809948915.db2.gz SJFUIPGSQVUKHU-XUVXKRRUSA-N 1 3 298.474 3.459 20 0 CGADHO Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001179818565 809949003 /nfs/dbraw/zinc/94/90/03/809949003.db2.gz YXDIOOQHEMUNBU-IJEWVQPXSA-N 1 3 278.827 3.078 20 0 CGADHO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201511384 811877180 /nfs/dbraw/zinc/87/71/80/811877180.db2.gz LDCMOWZDSZMBTD-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001201511384 811877184 /nfs/dbraw/zinc/87/71/84/811877184.db2.gz LDCMOWZDSZMBTD-HZPDHXFCSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@H](C)CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516802 811879481 /nfs/dbraw/zinc/87/94/81/811879481.db2.gz CBTFGDWIGKMTHP-UHOSZYNNSA-N 1 3 286.463 3.486 20 0 CGADHO CC[C@H](C)CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201516802 811879486 /nfs/dbraw/zinc/87/94/86/811879486.db2.gz CBTFGDWIGKMTHP-UHOSZYNNSA-N 1 3 286.463 3.486 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1cn(C)c2ccccc12 ZINC001204319410 812611133 /nfs/dbraw/zinc/61/11/33/812611133.db2.gz SQUCLIZBGZIURA-UHFFFAOYSA-N 1 3 287.451 3.342 20 0 CGADHO CCC[N@@H+](Cc1cc2c(s1)CCNC2)[C@@H](C)CC ZINC001204630631 812694838 /nfs/dbraw/zinc/69/48/38/812694838.db2.gz PVTSRGRWXSBQPH-LBPRGKRZSA-N 1 3 266.454 3.404 20 0 CGADHO CCC[N@H+](Cc1cc2c(s1)CCNC2)[C@@H](C)CC ZINC001204630631 812694834 /nfs/dbraw/zinc/69/48/34/812694834.db2.gz PVTSRGRWXSBQPH-LBPRGKRZSA-N 1 3 266.454 3.404 20 0 CGADHO Cc1cccc2c1CCN(Cc1ccc(C[NH3+])cc1)C2 ZINC001205164642 812894636 /nfs/dbraw/zinc/89/46/36/812894636.db2.gz KGJLYIHHQUTXKV-UHFFFAOYSA-N 1 3 266.388 3.012 20 0 CGADHO C[C@@H]1CCN(CCCc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC001205295743 812935920 /nfs/dbraw/zinc/93/59/20/812935920.db2.gz BJVPNCCBUSAVFM-UKRRQHHQSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CC[N@H+](CCCc2cccc(Cl)c2)C[C@H]1CN ZINC001205295743 812935925 /nfs/dbraw/zinc/93/59/25/812935925.db2.gz BJVPNCCBUSAVFM-UKRRQHHQSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C[C@H]1CN ZINC001205295743 812935931 /nfs/dbraw/zinc/93/59/31/812935931.db2.gz BJVPNCCBUSAVFM-UKRRQHHQSA-N 1 3 280.843 3.189 20 0 CGADHO C[C@H]1CC[N@H+](CCC(C)(C)c2ccccc2)C[C@H]1CN ZINC001205295956 812936275 /nfs/dbraw/zinc/93/62/75/812936275.db2.gz DDVANNMJNKQDJI-JKSUJKDBSA-N 1 3 274.452 3.271 20 0 CGADHO C[C@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@H]1CN ZINC001205295956 812936276 /nfs/dbraw/zinc/93/62/76/812936276.db2.gz DDVANNMJNKQDJI-JKSUJKDBSA-N 1 3 274.452 3.271 20 0 CGADHO C[C@@H]1CCN(Cc2ccc3ccsc3c2)C[C@@H]1C[NH3+] ZINC001205303824 812941986 /nfs/dbraw/zinc/94/19/86/812941986.db2.gz LCLGSWZQGNBDEV-DOMZBBRYSA-N 1 3 274.433 3.318 20 0 CGADHO Cc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(F)c1F ZINC001205616791 813025531 /nfs/dbraw/zinc/02/55/31/813025531.db2.gz GXMWCOBOTSOXKG-YPMHNXCESA-N 1 3 282.378 3.080 20 0 CGADHO Cc1ccc(F)c(CN2CC[C@@H](C)[C@H](C[NH3+])CC2)c1F ZINC001205618799 813028100 /nfs/dbraw/zinc/02/81/00/813028100.db2.gz YWKUDGQXARMDKF-YPMHNXCESA-N 1 3 282.378 3.080 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(C(F)(F)F)o2)CC[C@H]1C[NH3+] ZINC001205639558 813038471 /nfs/dbraw/zinc/03/84/71/813038471.db2.gz ZXNTXBGYQYRBNW-MNOVXSKESA-N 1 3 290.329 3.105 20 0 CGADHO CC(C)c1ccc(CC[N@@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001205901151 813122975 /nfs/dbraw/zinc/12/29/75/813122975.db2.gz BIEZPIBJLPBJJG-MAUKXSAKSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CC[N@H+]2CCC[C@H](CN)[C@@H]2C)cc1 ZINC001205901151 813122980 /nfs/dbraw/zinc/12/29/80/813122980.db2.gz BIEZPIBJLPBJJG-MAUKXSAKSA-N 1 3 274.452 3.412 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205901151 813122983 /nfs/dbraw/zinc/12/29/83/813122983.db2.gz BIEZPIBJLPBJJG-MAUKXSAKSA-N 1 3 274.452 3.412 20 0 CGADHO C[C@H]1C[N@@H+](Cc2cc3c(s2)CCNC3)CCC[C@@H]1C ZINC001206110459 813203018 /nfs/dbraw/zinc/20/30/18/813203018.db2.gz XYPGKEJIDAOFNU-STQMWFEESA-N 1 3 278.465 3.262 20 0 CGADHO C[C@H]1C[N@H+](Cc2cc3c(s2)CCNC3)CCC[C@@H]1C ZINC001206110459 813203024 /nfs/dbraw/zinc/20/30/24/813203024.db2.gz XYPGKEJIDAOFNU-STQMWFEESA-N 1 3 278.465 3.262 20 0 CGADHO Cc1cc(CN2CCC[C@@](C)(C[NH3+])CC2)c(F)cc1F ZINC001206319016 813286795 /nfs/dbraw/zinc/28/67/95/813286795.db2.gz XKQJPXNHIFVGQY-MRXNPFEDSA-N 1 3 282.378 3.224 20 0 CGADHO Cc1c(F)ccc(CN2CCC[C@](C)(C[NH3+])CC2)c1F ZINC001206317532 813286816 /nfs/dbraw/zinc/28/68/16/813286816.db2.gz GQGBMZUZADNAJW-INIZCTEOSA-N 1 3 282.378 3.224 20 0 CGADHO Cn1ccc2ccc(CN3CCCC[C@@](C)(C[NH3+])C3)cc21 ZINC001206550116 813347876 /nfs/dbraw/zinc/34/78/76/813347876.db2.gz VKNGRSYUCSKABW-SFHVURJKSA-N 1 3 285.435 3.129 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CCCC[C@@H](CN)C2)C1(C)C ZINC001206606248 813372412 /nfs/dbraw/zinc/37/24/12/813372412.db2.gz IBKZYNURLBKXOQ-JKSUJKDBSA-N 1 3 264.457 3.430 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CCCC[C@@H](CN)C2)C1(C)C ZINC001206606248 813372418 /nfs/dbraw/zinc/37/24/18/813372418.db2.gz IBKZYNURLBKXOQ-JKSUJKDBSA-N 1 3 264.457 3.430 20 0 CGADHO CCSc1ccccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206646888 813386476 /nfs/dbraw/zinc/38/64/76/813386476.db2.gz DXKMXMQVQKRGHT-AWEZNQCLSA-N 1 3 278.465 3.359 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001206760304 813426546 /nfs/dbraw/zinc/42/65/46/813426546.db2.gz COLJUKLMVDBJCQ-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001206760304 813426549 /nfs/dbraw/zinc/42/65/49/813426549.db2.gz COLJUKLMVDBJCQ-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCc1cccc(Cl)c1 ZINC001206760304 813426552 /nfs/dbraw/zinc/42/65/52/813426552.db2.gz COLJUKLMVDBJCQ-HIFRSBDPSA-N 1 3 280.843 3.332 20 0 CGADHO CCCCOc1ccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206767789 813430764 /nfs/dbraw/zinc/43/07/64/813430764.db2.gz FFPUDNWMJPQNJR-RDJZCZTQSA-N 1 3 290.451 3.425 20 0 CGADHO CCCN(Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207281945 813534857 /nfs/dbraw/zinc/53/48/57/813534857.db2.gz KHCXCQSISKLTMG-UHFFFAOYSA-N 1 3 262.441 3.486 20 0 CGADHO CC[NH+]1C[C@@H]2CN(CCCc3cccc(Cl)c3)C[C@H]2C1 ZINC001207593901 813603597 /nfs/dbraw/zinc/60/35/97/813603597.db2.gz OJTIFOAPDKPEOO-HZPDHXFCSA-N 1 3 292.854 3.156 20 0 CGADHO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CN(C)C3)CC2)o1 ZINC001208167726 813722217 /nfs/dbraw/zinc/72/22/17/813722217.db2.gz JUGPAHIYDFOXTF-AWEZNQCLSA-N 1 3 276.424 3.109 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@H]2C1 ZINC001208172094 813726433 /nfs/dbraw/zinc/72/64/33/813726433.db2.gz YOKKARSYJCYZMK-WNRNVDISSA-N 1 3 276.468 3.252 20 0 CGADHO CN(C)CC1(C[N@H+](C)Cc2ccc(F)cc2)CCCC1 ZINC001208182487 813734247 /nfs/dbraw/zinc/73/42/47/813734247.db2.gz XEXPQCNLDXDJAH-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO CN(C)CC1(C[N@@H+](C)Cc2ccc(F)cc2)CCCC1 ZINC001208182487 813734250 /nfs/dbraw/zinc/73/42/50/813734250.db2.gz XEXPQCNLDXDJAH-UHFFFAOYSA-N 1 3 278.415 3.380 20 0 CGADHO CN1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617023 813777761 /nfs/dbraw/zinc/77/77/61/813777761.db2.gz NZRDEHPEHBKRCI-SUMWQHHRSA-N 1 3 294.389 3.444 20 0 CGADHO CN1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001208617023 813777766 /nfs/dbraw/zinc/77/77/66/813777766.db2.gz NZRDEHPEHBKRCI-SUMWQHHRSA-N 1 3 294.389 3.444 20 0 CGADHO C[C@H]1C[C@@H]1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209422848 814025008 /nfs/dbraw/zinc/02/50/08/814025008.db2.gz YUINEPFXBXHUJL-MAUKXSAKSA-N 1 3 284.447 3.165 20 0 CGADHO C[C@H]1C[C@@H]1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209422848 814025018 /nfs/dbraw/zinc/02/50/18/814025018.db2.gz YUINEPFXBXHUJL-MAUKXSAKSA-N 1 3 284.447 3.165 20 0 CGADHO Nc1nc2cc(C3=CC[C@@H]([NH+]4CCCC4)CC3)ccc2[nH]1 ZINC001242691159 823101567 /nfs/dbraw/zinc/10/15/67/823101567.db2.gz BCJQQWUGTZTXLG-CQSZACIVSA-N 1 3 282.391 3.177 20 0 CGADHO Nc1nc2ccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)cc2[nH]1 ZINC001242691159 823101568 /nfs/dbraw/zinc/10/15/68/823101568.db2.gz BCJQQWUGTZTXLG-CQSZACIVSA-N 1 3 282.391 3.177 20 0 CGADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475379 814478817 /nfs/dbraw/zinc/47/88/17/814478817.db2.gz MPGHKXUHGFIAJL-INWMFGNUSA-N 1 3 278.827 3.127 20 0 CGADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCN1 ZINC001210475379 814478821 /nfs/dbraw/zinc/47/88/21/814478821.db2.gz MPGHKXUHGFIAJL-INWMFGNUSA-N 1 3 278.827 3.127 20 0 CGADHO CN(C)Cc1c(O[C@H]2CCC23C[NH2+]C3)ccc2ccccc21 ZINC001218238551 816135170 /nfs/dbraw/zinc/13/51/70/816135170.db2.gz BHWMUVRBOOXVOH-SFHVURJKSA-N 1 3 296.414 3.032 20 0 CGADHO C[C@H]1CC[C@@H](Oc2ccc3ccccc3c2CN(C)C)C[NH2+]1 ZINC001218409582 816200840 /nfs/dbraw/zinc/20/08/40/816200840.db2.gz ZCSXKPBGZAPJNN-GOEBONIOSA-N 1 3 298.430 3.421 20 0 CGADHO CC(C)(CC[N@@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC001222142226 816359525 /nfs/dbraw/zinc/35/95/25/816359525.db2.gz YAWSFWYINGISSZ-LJQANCHMSA-N 1 3 286.463 3.430 20 0 CGADHO CC(C)(CC[N@H+]1CC[C@]2(C1)CCCNC2)c1ccccc1 ZINC001222142226 816359533 /nfs/dbraw/zinc/35/95/33/816359533.db2.gz YAWSFWYINGISSZ-LJQANCHMSA-N 1 3 286.463 3.430 20 0 CGADHO FC1(F)CCC(CN2CCC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001222259737 816391320 /nfs/dbraw/zinc/39/13/20/816391320.db2.gz YBPCATHRYOHRAL-OAHLLOKOSA-N 1 3 286.410 3.278 20 0 CGADHO CCOc1ccc(CN2CCC[C@@]23CCC[NH2+]CC3)cc1 ZINC001222310864 816405109 /nfs/dbraw/zinc/40/51/09/816405109.db2.gz WXDRASRRBREVON-GOSISDBHSA-N 1 3 288.435 3.193 20 0 CGADHO CCOc1cccc(CN2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222316824 816407054 /nfs/dbraw/zinc/40/70/54/816407054.db2.gz YYKKIMLYVDUGQA-GOSISDBHSA-N 1 3 288.435 3.193 20 0 CGADHO Clc1ccc(CN2CCC3(CCC[NH2+]C3)CC2)s1 ZINC001222453393 816448864 /nfs/dbraw/zinc/44/88/64/816448864.db2.gz ZZNAJCRDHKOIDS-UHFFFAOYSA-N 1 3 284.856 3.367 20 0 CGADHO CC1=CC[C@H](CC[N@@H+]2CC[C@H]3CNCC[C@H]32)C1(C)C ZINC001222615936 816478841 /nfs/dbraw/zinc/47/88/41/816478841.db2.gz UIIIRWXCYMTQSI-ARFHVFGLSA-N 1 3 262.441 3.053 20 0 CGADHO CC1=CC[C@H](CC[N@H+]2CC[C@H]3CNCC[C@H]32)C1(C)C ZINC001222615936 816478842 /nfs/dbraw/zinc/47/88/42/816478842.db2.gz UIIIRWXCYMTQSI-ARFHVFGLSA-N 1 3 262.441 3.053 20 0 CGADHO Cc1sccc1C[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222616019 816478890 /nfs/dbraw/zinc/47/88/90/816478890.db2.gz VPPCGRKJZHVZEF-QGZVFWFLSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1sccc1C[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222616019 816478891 /nfs/dbraw/zinc/47/88/91/816478891.db2.gz VPPCGRKJZHVZEF-QGZVFWFLSA-N 1 3 298.455 3.246 20 0 CGADHO CC[NH+]1CCC(N(C)Cc2ccccc2-n2cccc2)CC1 ZINC001232910360 818471995 /nfs/dbraw/zinc/47/19/95/818471995.db2.gz JQDOHXMLIQZWGH-UHFFFAOYSA-N 1 3 297.446 3.393 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+]2CCC23CCNCC3)C1(C)C ZINC001235103031 819003088 /nfs/dbraw/zinc/00/30/88/819003088.db2.gz QFWVILLQXBKNJH-HNNXBMFYSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=CC[C@@H](CC[N@H+]2CCC23CCNCC3)C1(C)C ZINC001235103031 819003093 /nfs/dbraw/zinc/00/30/93/819003093.db2.gz QFWVILLQXBKNJH-HNNXBMFYSA-N 1 3 262.441 3.197 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235208943 819037890 /nfs/dbraw/zinc/03/78/90/819037890.db2.gz CCEULOIRGYWVRW-BBWFWOEESA-N 1 3 296.499 3.292 20 0 CGADHO COC(C)(C)CCC[C@H](C)CC[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235208943 819037894 /nfs/dbraw/zinc/03/78/94/819037894.db2.gz CCEULOIRGYWVRW-BBWFWOEESA-N 1 3 296.499 3.292 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@H+](CC2CCC2)CC3)cc1 ZINC001235362809 819080409 /nfs/dbraw/zinc/08/04/09/819080409.db2.gz NVKCPVORPRLNPT-RBUKOAKNSA-N 1 3 284.447 3.040 20 0 CGADHO c1ccc([C@]23CCNC[C@H]2C[N@@H+](CC2CCC2)CC3)cc1 ZINC001235362809 819080415 /nfs/dbraw/zinc/08/04/15/819080415.db2.gz NVKCPVORPRLNPT-RBUKOAKNSA-N 1 3 284.447 3.040 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@H+](CCCC1CCCCC1)C2 ZINC001235405464 819087469 /nfs/dbraw/zinc/08/74/69/819087469.db2.gz PAEFYELEXMDTCH-SJORKVTESA-N 1 3 282.447 3.370 20 0 CGADHO F[C@@H]1CCNC[C@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405464 819087475 /nfs/dbraw/zinc/08/74/75/819087475.db2.gz PAEFYELEXMDTCH-SJORKVTESA-N 1 3 282.447 3.370 20 0 CGADHO F[C@@H]1CC[NH2+]C[C@]12CCN(CCCC1CCCCC1)C2 ZINC001235405464 819087478 /nfs/dbraw/zinc/08/74/78/819087478.db2.gz PAEFYELEXMDTCH-SJORKVTESA-N 1 3 282.447 3.370 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@H+](CCCC1CCCCC1)C2 ZINC001235405463 819087767 /nfs/dbraw/zinc/08/77/67/819087767.db2.gz PAEFYELEXMDTCH-IRXDYDNUSA-N 1 3 282.447 3.370 20 0 CGADHO F[C@H]1CCNC[C@]12CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235405463 819087772 /nfs/dbraw/zinc/08/77/72/819087772.db2.gz PAEFYELEXMDTCH-IRXDYDNUSA-N 1 3 282.447 3.370 20 0 CGADHO F[C@H]1CC[NH2+]C[C@]12CCN(CCCC1CCCCC1)C2 ZINC001235405463 819087778 /nfs/dbraw/zinc/08/77/78/819087778.db2.gz PAEFYELEXMDTCH-IRXDYDNUSA-N 1 3 282.447 3.370 20 0 CGADHO CC(C)=CCC[C@@H](C)CCN(C)C[C@H]1CC[NH2+]C1 ZINC001235841401 819183815 /nfs/dbraw/zinc/18/38/15/819183815.db2.gz FIJZAZJSZYUHEK-CVEARBPZSA-N 1 3 252.446 3.300 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H](N)CC[C@@H]2C)c2ccccc12 ZINC001235892074 819200190 /nfs/dbraw/zinc/20/01/90/819200190.db2.gz LJKZDWUXVSLYGY-GOEBONIOSA-N 1 3 268.404 3.460 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H](N)CC[C@@H]2C)c2ccccc12 ZINC001235892074 819200193 /nfs/dbraw/zinc/20/01/93/819200193.db2.gz LJKZDWUXVSLYGY-GOEBONIOSA-N 1 3 268.404 3.460 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@@H+]1CCCc1cccc(Cl)c1 ZINC001235893969 819202901 /nfs/dbraw/zinc/20/29/01/819202901.db2.gz YVIYXPJOXOAYSC-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO C[C@@H]1CC[C@@H](N)C[N@H+]1CCCc1cccc(Cl)c1 ZINC001235893969 819202908 /nfs/dbraw/zinc/20/29/08/819202908.db2.gz YVIYXPJOXOAYSC-IUODEOHRSA-N 1 3 266.816 3.084 20 0 CGADHO c1csc(-c2ccccc2CN2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235939307 819234321 /nfs/dbraw/zinc/23/43/21/819234321.db2.gz OXCNSUFEGDBTCF-ZBFHGGJFSA-N 1 3 298.455 3.456 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045051 819281787 /nfs/dbraw/zinc/28/17/87/819281787.db2.gz RVUGKJUXEXYZKO-OYNZBZHQSA-N 1 3 278.827 3.113 20 0 CGADHO C[C@@H]1C[C@H](N)C[N@@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001236045051 819281792 /nfs/dbraw/zinc/28/17/92/819281792.db2.gz RVUGKJUXEXYZKO-OYNZBZHQSA-N 1 3 278.827 3.113 20 0 CGADHO C[N@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1N ZINC001236213218 819377178 /nfs/dbraw/zinc/37/71/78/819377178.db2.gz AMKRQCKUOCFITC-ROUUACIJSA-N 1 3 283.419 3.179 20 0 CGADHO C[N@@H+](Cc1ccc(-n2cccc2)cc1)[C@H]1CCCC[C@@H]1N ZINC001236213218 819377186 /nfs/dbraw/zinc/37/71/86/819377186.db2.gz AMKRQCKUOCFITC-ROUUACIJSA-N 1 3 283.419 3.179 20 0 CGADHO C(C1CCC1)[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236369533 819438977 /nfs/dbraw/zinc/43/89/77/819438977.db2.gz ACUOJARNRATHEI-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCC1)[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236369533 819438980 /nfs/dbraw/zinc/43/89/80/819438980.db2.gz ACUOJARNRATHEI-HNNXBMFYSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@@H](C)C[N@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236400574 819451081 /nfs/dbraw/zinc/45/10/81/819451081.db2.gz FOZVBSMQLNMYPI-CQSZACIVSA-N 1 3 278.415 3.426 20 0 CGADHO CC[C@@H](C)C[N@@H+](Cc1cccc(F)c1)C1CCNCC1 ZINC001236400574 819451084 /nfs/dbraw/zinc/45/10/84/819451084.db2.gz FOZVBSMQLNMYPI-CQSZACIVSA-N 1 3 278.415 3.426 20 0 CGADHO CC[C@@H](C)CN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400574 819451088 /nfs/dbraw/zinc/45/10/88/819451088.db2.gz FOZVBSMQLNMYPI-CQSZACIVSA-N 1 3 278.415 3.426 20 0 CGADHO CCN(Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236408811 819455537 /nfs/dbraw/zinc/45/55/37/819455537.db2.gz NVTDHXPVLABAHJ-MRXNPFEDSA-N 1 3 274.452 3.416 20 0 CGADHO Cc1ccc(C[N@@H+]2CC[C@](F)(CN)C2)c2ccccc12 ZINC001236436503 819478069 /nfs/dbraw/zinc/47/80/69/819478069.db2.gz YBIZSGNOGOCCQO-KRWDZBQOSA-N 1 3 272.367 3.021 20 0 CGADHO Cc1ccc(C[N@H+]2CC[C@](F)(CN)C2)c2ccccc12 ZINC001236436503 819478071 /nfs/dbraw/zinc/47/80/71/819478071.db2.gz YBIZSGNOGOCCQO-KRWDZBQOSA-N 1 3 272.367 3.021 20 0 CGADHO Cc1cc(C[N@H+](CC(C)(C)C)C2CCNCC2)ccc1O ZINC001236457150 819485164 /nfs/dbraw/zinc/48/51/64/819485164.db2.gz JVQPJLSDFKNFJL-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO Cc1cc(C[N@@H+](CC(C)(C)C)C2CCNCC2)ccc1O ZINC001236457150 819485168 /nfs/dbraw/zinc/48/51/68/819485168.db2.gz JVQPJLSDFKNFJL-UHFFFAOYSA-N 1 3 290.451 3.301 20 0 CGADHO CCc1cc(C[N@H+](C)CCCN(C)C)ccc1Cl ZINC001237738824 819828620 /nfs/dbraw/zinc/82/86/20/819828620.db2.gz NMOQHWWKFYPJPF-UHFFFAOYSA-N 1 3 268.832 3.286 20 0 CGADHO CCc1cc(C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC001237738824 819828631 /nfs/dbraw/zinc/82/86/31/819828631.db2.gz NMOQHWWKFYPJPF-UHFFFAOYSA-N 1 3 268.832 3.286 20 0 CGADHO CC(C)C1=NCCc2ccc(-c3cncc(C[NH3+])c3)cc21 ZINC001239807020 820622513 /nfs/dbraw/zinc/62/25/13/820622513.db2.gz OOXGXXDYNRHWKU-UHFFFAOYSA-N 1 3 279.387 3.209 20 0 CGADHO Nc1nc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc2[nH]1 ZINC001240057916 820805165 /nfs/dbraw/zinc/80/51/65/820805165.db2.gz BZZYDXSJVJEXEX-UHFFFAOYSA-N 1 3 292.386 3.408 20 0 CGADHO Nc1nc2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2[nH]1 ZINC001240057916 820805174 /nfs/dbraw/zinc/80/51/74/820805174.db2.gz BZZYDXSJVJEXEX-UHFFFAOYSA-N 1 3 292.386 3.408 20 0 CGADHO Fc1ccc(C2=CC[NH2+]CC2)cc1CN1CCCCC1 ZINC001240470224 821078081 /nfs/dbraw/zinc/07/80/81/821078081.db2.gz DLXFNCGIVZAIIJ-UHFFFAOYSA-N 1 3 274.383 3.188 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2cc(C)oc2C)C1 ZINC001343904699 936517814 /nfs/dbraw/zinc/51/78/14/936517814.db2.gz GRBQMWUIOVGCIG-DZGCQCFKSA-N 1 3 264.413 3.279 20 0 CGADHO COc1ccc(Cl)cc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC001348840564 936936052 /nfs/dbraw/zinc/93/60/52/936936052.db2.gz NJXCZUMQFIYGSU-LSDHHAIUSA-N 1 3 296.842 3.141 20 0 CGADHO NC1CC([NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC001352834834 937051039 /nfs/dbraw/zinc/05/10/39/937051039.db2.gz VAMNRZUMJGJRHB-UHFFFAOYSA-N 1 3 258.409 3.040 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)[C@@H]2C1 ZINC001308554614 928530879 /nfs/dbraw/zinc/53/08/79/928530879.db2.gz QBYFWOIVAOUASE-XHSDSOJGSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000397241829 928802575 /nfs/dbraw/zinc/80/25/75/928802575.db2.gz MEXCFZDPDFDTHE-IJEWVQPXSA-N 1 3 283.419 3.040 20 0 CGADHO C([C@H]1CC[N@H+](CC23CCC(CC2)C3)C1)N1CCCCC1 ZINC001459516043 937490066 /nfs/dbraw/zinc/49/00/66/937490066.db2.gz ZTUVBBLNHPWMBA-LXPRWKDFSA-N 1 3 276.468 3.375 20 0 CGADHO C([C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1)N1CCCCC1 ZINC001459516043 937490067 /nfs/dbraw/zinc/49/00/67/937490067.db2.gz ZTUVBBLNHPWMBA-LXPRWKDFSA-N 1 3 276.468 3.375 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461919776 937605901 /nfs/dbraw/zinc/60/59/01/937605901.db2.gz NZKDAMWRDLVSED-SFHVURJKSA-N 1 3 274.452 3.120 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461919776 937605903 /nfs/dbraw/zinc/60/59/03/937605903.db2.gz NZKDAMWRDLVSED-SFHVURJKSA-N 1 3 274.452 3.120 20 0 CGADHO Cc1cc(C)c([C@@H](C)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001307978404 933029223 /nfs/dbraw/zinc/02/92/23/933029223.db2.gz OSTZCDLZPBEBBS-CBZIJGRNSA-N 1 3 272.436 3.165 20 0 CGADHO Cc1ncccc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC001308187236 933068059 /nfs/dbraw/zinc/06/80/59/933068059.db2.gz YXOPMHOPIBAYJJ-UHFFFAOYSA-N 1 3 295.430 3.276 20 0 CGADHO COCC[N@H+](C)CCCNCc1ccc(C(C)(C)C)cc1 ZINC001308198270 933070785 /nfs/dbraw/zinc/07/07/85/933070785.db2.gz WYLUTGVZZDBWOT-UHFFFAOYSA-N 1 3 292.467 3.042 20 0 CGADHO COCC[N@@H+](C)CCCNCc1ccc(C(C)(C)C)cc1 ZINC001308198270 933070787 /nfs/dbraw/zinc/07/07/87/933070787.db2.gz WYLUTGVZZDBWOT-UHFFFAOYSA-N 1 3 292.467 3.042 20 0 CGADHO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CN3CCC2CC3)C1 ZINC001462637426 937656144 /nfs/dbraw/zinc/65/61/44/937656144.db2.gz UTKAKDOVKMLGPS-INMHGKMJSA-N 1 3 264.457 3.134 20 0 CGADHO Cc1cc(C)c(/C=C/CNC[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC001308482010 933117037 /nfs/dbraw/zinc/11/70/37/933117037.db2.gz HAASMHIRHRPGRR-JZLODUJNSA-N 1 3 272.436 3.309 20 0 CGADHO Cc1cc(C)c(/C=C/CNC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001308482010 933117041 /nfs/dbraw/zinc/11/70/41/933117041.db2.gz HAASMHIRHRPGRR-JZLODUJNSA-N 1 3 272.436 3.309 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568263 933135110 /nfs/dbraw/zinc/13/51/10/933135110.db2.gz CPJUNJXYVBSCDV-RDJZCZTQSA-N 1 3 299.462 3.483 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3n2C)C[C@@H]1C ZINC001308568263 933135113 /nfs/dbraw/zinc/13/51/13/933135113.db2.gz CPJUNJXYVBSCDV-RDJZCZTQSA-N 1 3 299.462 3.483 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC001308847118 933188691 /nfs/dbraw/zinc/18/86/91/933188691.db2.gz BKUOLLDBFPJTBQ-CABCVRRESA-N 1 3 286.529 3.474 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC001308847118 933188694 /nfs/dbraw/zinc/18/86/94/933188694.db2.gz BKUOLLDBFPJTBQ-CABCVRRESA-N 1 3 286.529 3.474 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC001308847119 933189365 /nfs/dbraw/zinc/18/93/65/933189365.db2.gz BKUOLLDBFPJTBQ-GJZGRUSLSA-N 1 3 286.529 3.474 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC001308847119 933189367 /nfs/dbraw/zinc/18/93/67/933189367.db2.gz BKUOLLDBFPJTBQ-GJZGRUSLSA-N 1 3 286.529 3.474 20 0 CGADHO C(CN1CCCCC1)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001320834901 934110503 /nfs/dbraw/zinc/11/05/03/934110503.db2.gz XBNJRFIVKXHMBY-IRXDYDNUSA-N 1 3 264.457 3.375 20 0 CGADHO C(CN1CCCCC1)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001320834901 934110508 /nfs/dbraw/zinc/11/05/08/934110508.db2.gz XBNJRFIVKXHMBY-IRXDYDNUSA-N 1 3 264.457 3.375 20 0 CGADHO CCOc1cccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC001326036624 934946161 /nfs/dbraw/zinc/94/61/61/934946161.db2.gz RTOCUBWBOUXAOM-QRTARXTBSA-N 1 3 276.424 3.253 20 0 CGADHO Fc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001327513089 935064385 /nfs/dbraw/zinc/06/43/85/935064385.db2.gz SXOSQSNVKAQJMX-CXAGYDPISA-N 1 3 276.399 3.256 20 0 CGADHO Cc1ccccc1NC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC001333040123 935506318 /nfs/dbraw/zinc/50/63/18/935506318.db2.gz ICNPVKGGQVYURE-OAHLLOKOSA-N 1 3 288.439 3.052 20 0 CGADHO Cc1ccccc1[C@@H](NC[C@H]1CCC[NH2+]C1)C(C)C ZINC001333582338 935549088 /nfs/dbraw/zinc/54/90/88/935549088.db2.gz KNSLFWRUNDZBTQ-RDJZCZTQSA-N 1 3 260.425 3.281 20 0 CGADHO CC(C)C1(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC001474313661 937850525 /nfs/dbraw/zinc/85/05/25/937850525.db2.gz CXEUUXDRJOGNEU-INIZCTEOSA-N 1 3 264.457 3.230 20 0 CGADHO CC(C)C1(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC001474313661 937850528 /nfs/dbraw/zinc/85/05/28/937850528.db2.gz CXEUUXDRJOGNEU-INIZCTEOSA-N 1 3 264.457 3.230 20 0 CGADHO COc1cc(C[N@H+](C)CC(C)(C)CN(C)C)ccc1C ZINC001474742109 937878260 /nfs/dbraw/zinc/87/82/60/937878260.db2.gz ZISDVTJUDZJUPZ-UHFFFAOYSA-N 1 3 278.440 3.023 20 0 CGADHO COc1cc(C[N@@H+](C)CC(C)(C)CN(C)C)ccc1C ZINC001474742109 937878261 /nfs/dbraw/zinc/87/82/61/937878261.db2.gz ZISDVTJUDZJUPZ-UHFFFAOYSA-N 1 3 278.440 3.023 20 0 CGADHO CC1(C)[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC001549711933 938158884 /nfs/dbraw/zinc/15/88/84/938158884.db2.gz ZUZBVTFPOGUCLD-KLHDSHLOSA-N 1 3 258.409 3.038 20 0 CGADHO CCC1(N2CCC2)CC[NH+](CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001550546523 938167855 /nfs/dbraw/zinc/16/78/55/938167855.db2.gz CLIFPSBTKCBIRM-HZPDHXFCSA-N 1 3 294.483 3.140 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238425 938178465 /nfs/dbraw/zinc/17/84/65/938178465.db2.gz SGYOFUFWBWOHPY-UPTPFMHGSA-N 1 3 294.483 3.188 20 0 CGADHO C[NH2+]C1CCN(C[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001552412849 938191886 /nfs/dbraw/zinc/19/18/86/938191886.db2.gz ZHHGOEGXERNKDK-DOTOQJQBSA-N 1 3 272.436 3.254 20 0 CGADHO C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC001553026499 938196055 /nfs/dbraw/zinc/19/60/55/938196055.db2.gz OHZKHZQEROBAAZ-GVDBMIGSSA-N 1 3 276.468 3.467 20 0 CGADHO C[C@H](CC1CCCCC1)C[NH+](CCN(C)C)CCN(C)C ZINC001560810481 938277156 /nfs/dbraw/zinc/27/71/56/938277156.db2.gz BBFGCVFCYXPCEW-QGZVFWFLSA-N 1 3 297.531 3.018 20 0 CGADHO Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1C ZINC000035054351 957732365 /nfs/dbraw/zinc/73/23/65/957732365.db2.gz LIEYTOYABMOMND-UHFFFAOYSA-N 1 3 258.409 3.020 20 0 CGADHO CC(C)(C)C1CCC([NH2+][C@@H]2CNCC2(C)C)CC1 ZINC001575118552 962337899 /nfs/dbraw/zinc/33/78/99/962337899.db2.gz DJILFWWMAMHKAU-JXQTWKCFSA-N 1 3 252.446 3.179 20 0 CGADHO CC(C)C[C@H](C)C[NH2+][C@@H]1[C@H]2CCCN[C@@H]2C1(C)C ZINC001575531536 962374400 /nfs/dbraw/zinc/37/44/00/962374400.db2.gz QIHXOEIBUPBKHZ-ZQDZILKHSA-N 1 3 252.446 3.035 20 0 CGADHO CC(C)COc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC001575615190 962403875 /nfs/dbraw/zinc/40/38/75/962403875.db2.gz KBPMBMYJIKPMRQ-SJLPKXTDSA-N 1 3 290.451 3.329 20 0 CGADHO C[C@H](NC[C@H]1[C@H](c2ccccc2)C1(F)F)[C@@H]1CCC[NH2+]C1 ZINC001576246448 962451307 /nfs/dbraw/zinc/45/13/07/962451307.db2.gz WLQWYUSPHZSMAE-UKMLZYKCSA-N 1 3 294.389 3.013 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC001576426752 962454947 /nfs/dbraw/zinc/45/49/47/962454947.db2.gz NLHBSHISNZSSDH-RRFJBIMHSA-N 1 3 252.446 3.310 20 0 CGADHO CC[C@@H](CSc1ccccc1)NC[C@H]([NH3+])CC(F)F ZINC001577093848 962512194 /nfs/dbraw/zinc/51/21/94/962512194.db2.gz YZPPBUAILMOTOD-NEPJUHHUSA-N 1 3 288.407 3.129 20 0 CGADHO CCCc1ccc(C[N@@H+]2CCNCCC2(C)C)cc1 ZINC001577608935 962552482 /nfs/dbraw/zinc/55/24/82/962552482.db2.gz QLBOLGRIYGRJMQ-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO CCCc1ccc(C[N@H+]2CCNCCC2(C)C)cc1 ZINC001577608935 962552490 /nfs/dbraw/zinc/55/24/90/962552490.db2.gz QLBOLGRIYGRJMQ-UHFFFAOYSA-N 1 3 260.425 3.213 20 0 CGADHO COc1ccc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc12 ZINC001579216161 962613615 /nfs/dbraw/zinc/61/36/15/962613615.db2.gz FOPJQWGZNDAMOT-QZTJIDSGSA-N 1 3 296.414 3.208 20 0 CGADHO Cc1cc(C)c(/C=C\C[NH2+]C[C@@H](N)C(C)C)cc1C ZINC001579571453 962634043 /nfs/dbraw/zinc/63/40/43/962634043.db2.gz GFNRVGXNGIAOSJ-JTGQJZMRSA-N 1 3 260.425 3.198 20 0 CGADHO Cc1ccc([C@H](C)C[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)cc1 ZINC001579665607 962645046 /nfs/dbraw/zinc/64/50/46/962645046.db2.gz CZHKXWINYSNURK-KONPQCLYSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1ccc([C@H](C)C[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)cc1 ZINC001579665607 962645053 /nfs/dbraw/zinc/64/50/53/962645053.db2.gz CZHKXWINYSNURK-KONPQCLYSA-N 1 3 274.452 3.404 20 0 CGADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CCCC[C@]3(CN)C2)cc1C ZINC001579688173 962653047 /nfs/dbraw/zinc/65/30/47/962653047.db2.gz UKSIMFUORCJSKL-OALUTQOASA-N 1 3 286.463 3.297 20 0 CGADHO Cc1ccc(CC[N@H+]2C[C@@H]3CCCC[C@]3(CN)C2)cc1C ZINC001579688173 962653056 /nfs/dbraw/zinc/65/30/56/962653056.db2.gz UKSIMFUORCJSKL-OALUTQOASA-N 1 3 286.463 3.297 20 0 CGADHO Cc1ccc([C@H]2CC[N@H+](Cc3cc(C(C)(C)N)no3)C2)cc1 ZINC001579678102 962658518 /nfs/dbraw/zinc/65/85/18/962658518.db2.gz IBUOQJIUNJRLCL-HNNXBMFYSA-N 1 3 299.418 3.166 20 0 CGADHO Cc1ccc([C@H]2CC[N@@H+](Cc3cc(C(C)(C)N)no3)C2)cc1 ZINC001579678102 962658524 /nfs/dbraw/zinc/65/85/24/962658524.db2.gz IBUOQJIUNJRLCL-HNNXBMFYSA-N 1 3 299.418 3.166 20 0 CGADHO Cc1cccc(CCC[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)c1 ZINC001579759582 962669062 /nfs/dbraw/zinc/66/90/62/962669062.db2.gz NWQTZBIFXILMOL-JZXOWHBKSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1cccc(CCC[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)c1 ZINC001579759582 962669070 /nfs/dbraw/zinc/66/90/70/962669070.db2.gz NWQTZBIFXILMOL-JZXOWHBKSA-N 1 3 274.452 3.233 20 0 CGADHO Cc1cnc(C(C)(C)NCCC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC001579820172 962677948 /nfs/dbraw/zinc/67/79/48/962677948.db2.gz ZLWVBZKRLCNYSO-AGUYFDCRSA-N 1 3 293.480 3.197 20 0 CGADHO NC1CC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001580166054 962696804 /nfs/dbraw/zinc/69/68/04/962696804.db2.gz VZBQXIKVIFSDIA-HRNJWANLSA-N 1 3 264.800 3.055 20 0 CGADHO [NH3+]C1CC(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001580166054 962696816 /nfs/dbraw/zinc/69/68/16/962696816.db2.gz VZBQXIKVIFSDIA-HRNJWANLSA-N 1 3 264.800 3.055 20 0 CGADHO NC[C@]12C[N@H+](CCC3=CCCCC3)C[C@@H]1CCCC2 ZINC001580256904 962709687 /nfs/dbraw/zinc/70/96/87/962709687.db2.gz ZPRAQWDPWNOUCR-DLBZAZTESA-N 1 3 262.441 3.328 20 0 CGADHO NC[C@]12C[N@@H+](CCC3=CCCCC3)C[C@@H]1CCCC2 ZINC001580256904 962709700 /nfs/dbraw/zinc/70/97/00/962709700.db2.gz ZPRAQWDPWNOUCR-DLBZAZTESA-N 1 3 262.441 3.328 20 0 CGADHO Cc1nc([C@@H](C)NCCCC[N@H+](C)C2CC2)c(C)s1 ZINC000651492007 398253275 /nfs/dbraw/zinc/25/32/75/398253275.db2.gz RHUVCPRBHTXLMZ-LLVKDONJSA-N 1 3 281.469 3.285 20 0 CGADHO Cc1nc([C@@H](C)NCCCC[N@@H+](C)C2CC2)c(C)s1 ZINC000651492007 398253277 /nfs/dbraw/zinc/25/32/77/398253277.db2.gz RHUVCPRBHTXLMZ-LLVKDONJSA-N 1 3 281.469 3.285 20 0 CGADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000125302227 187178791 /nfs/dbraw/zinc/17/87/91/187178791.db2.gz WYVHSOIYXUBSSX-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@]1(C[NH3+])CCN(CCCc2cccc3ccccc32)C1 ZINC000337756687 214248186 /nfs/dbraw/zinc/24/81/86/214248186.db2.gz MFVGZRKPBSDURA-LJQANCHMSA-N 1 3 282.431 3.443 20 0 CGADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423442291 529453282 /nfs/dbraw/zinc/45/32/82/529453282.db2.gz BMZAGQRHRZJVBU-GUYCJALGSA-N 1 3 269.392 3.137 20 0 CGADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423470298 529453289 /nfs/dbraw/zinc/45/32/89/529453289.db2.gz PDORMWWTWPBIMA-AEGPPILISA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@H]([NH3+])CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423464433 529454027 /nfs/dbraw/zinc/45/40/27/529454027.db2.gz LZHDPOAQNDSJTN-SNPRPXQTSA-N 1 3 266.816 3.303 20 0 CGADHO CC[C@@H](CC(F)(F)F)NC1CC[NH+](C(C)C)CC1 ZINC000354968377 529458931 /nfs/dbraw/zinc/45/89/31/529458931.db2.gz FWZGXENELYCLRF-NSHDSACASA-N 1 3 266.351 3.180 20 0 CGADHO CC[C@@H](CO)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449267064 529514805 /nfs/dbraw/zinc/51/48/05/529514805.db2.gz YCJHZLYGEUIWQN-AWEZNQCLSA-N 1 3 284.488 3.026 20 0 CGADHO CC[C@@H](CO)[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000449267064 529514807 /nfs/dbraw/zinc/51/48/07/529514807.db2.gz YCJHZLYGEUIWQN-AWEZNQCLSA-N 1 3 284.488 3.026 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000423458731 529568761 /nfs/dbraw/zinc/56/87/61/529568761.db2.gz HDALFFALVWNARO-CHWSQXEVSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000423475864 529569315 /nfs/dbraw/zinc/56/93/15/529569315.db2.gz SEVAFNPYRGSZPY-MSOLQXFVSA-N 1 3 268.404 3.297 20 0 CGADHO CC[C@H](NCC1=CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423333261 529593277 /nfs/dbraw/zinc/59/32/77/529593277.db2.gz DYZXRMICXBXTGM-HNNXBMFYSA-N 1 3 294.826 3.309 20 0 CGADHO CC[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423252359 529605617 /nfs/dbraw/zinc/60/56/17/529605617.db2.gz UAJPJFASEUFTHG-NHYWBVRUSA-N 1 3 268.351 3.005 20 0 CGADHO CC[C@H](NCC[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000423233334 529605900 /nfs/dbraw/zinc/60/59/00/529605900.db2.gz OCQSLAZKYFQNKO-GWCFXTLKSA-N 1 3 285.229 3.227 20 0 CGADHO CC[C@H]([NH2+]Cc1ccc(CN(C)C)cc1)[C@@H]1C[C@H]1C ZINC000414059459 529626698 /nfs/dbraw/zinc/62/66/98/529626698.db2.gz IPZSJNZRJQRWTR-XYPHTWIQSA-N 1 3 260.425 3.272 20 0 CGADHO CN1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC1(C)C ZINC000623339802 349782521 /nfs/dbraw/zinc/78/25/21/349782521.db2.gz KWXSPNFQEBSMTK-CYBMUJFWSA-N 1 3 298.377 3.250 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)cc1 ZINC000424334218 529655670 /nfs/dbraw/zinc/65/56/70/529655670.db2.gz NHOGYOGUKGFGAC-QLFBSQMISA-N 1 3 250.361 3.136 20 0 CGADHO C[C@H](N[C@H]1CCCCC12CCCC2)[C@H]1CCC[NH2+]1 ZINC000400364881 290042785 /nfs/dbraw/zinc/04/27/85/290042785.db2.gz DQNMKGYIJGPIHY-ZNMIVQPWSA-N 1 3 250.430 3.220 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCCC12CCCC2)[C@H]1CCCN1 ZINC000400364881 290042788 /nfs/dbraw/zinc/04/27/88/290042788.db2.gz DQNMKGYIJGPIHY-ZNMIVQPWSA-N 1 3 250.430 3.220 20 0 CGADHO CN1CC[C@H]([NH2+][C@H]2CSc3ccccc32)CC1(C)C ZINC000623424375 349804310 /nfs/dbraw/zinc/80/43/10/349804310.db2.gz PAGWNGREHCBYBF-JSGCOSHPSA-N 1 3 276.449 3.296 20 0 CGADHO CCc1ccc([C@H](C)NCCC[C@H]2CCC[NH2+]2)o1 ZINC000423476229 529721315 /nfs/dbraw/zinc/72/13/15/529721315.db2.gz ITDFZAIXMIJXGF-STQMWFEESA-N 1 3 250.386 3.025 20 0 CGADHO CCc1ccc([C@H](CC)[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC000423367789 529722957 /nfs/dbraw/zinc/72/29/57/529722957.db2.gz DRCUMKIDWZJAON-JQFCIGGWSA-N 1 3 260.425 3.430 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000623656235 349858409 /nfs/dbraw/zinc/85/84/09/349858409.db2.gz PUFJYWZKGKEASI-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)cc1C ZINC000623654523 349857201 /nfs/dbraw/zinc/85/72/01/349857201.db2.gz BJCQDCJQBULJRV-QGZVFWFLSA-N 1 3 260.425 3.125 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000128090043 187351129 /nfs/dbraw/zinc/35/11/29/187351129.db2.gz LHLRPZVXQHIYDB-GPQLOAJWSA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc(C2CC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000128090043 187351131 /nfs/dbraw/zinc/35/11/31/187351131.db2.gz LHLRPZVXQHIYDB-GPQLOAJWSA-N 1 3 270.420 3.149 20 0 CGADHO CCC([NH3+])(CC)CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000423286929 282307862 /nfs/dbraw/zinc/30/78/62/282307862.db2.gz JMXZMOCDMRQYLJ-AWEZNQCLSA-N 1 3 262.441 3.460 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423275775 529985628 /nfs/dbraw/zinc/98/56/28/529985628.db2.gz NJSXYYSVYMTJAX-NEPJUHHUSA-N 1 3 288.357 3.082 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000423279966 529999746 /nfs/dbraw/zinc/99/97/46/529999746.db2.gz TVLSVYHKJGIEFX-QFBILLFUSA-N 1 3 282.431 3.416 20 0 CGADHO CN1CC=C(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449251154 530047422 /nfs/dbraw/zinc/04/74/22/530047422.db2.gz NKBPORVGDGGQEX-UHFFFAOYSA-N 1 3 292.467 3.108 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000085099174 345744224 /nfs/dbraw/zinc/74/42/24/345744224.db2.gz YLOZNUQOEVGDRY-FXUDXRNXSA-N 1 3 252.446 3.131 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166793873 346187631 /nfs/dbraw/zinc/18/76/31/346187631.db2.gz NXOZHSRVMWUVHN-LVQVYYBASA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166793873 346187634 /nfs/dbraw/zinc/18/76/34/346187634.db2.gz NXOZHSRVMWUVHN-LVQVYYBASA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166793873 346187637 /nfs/dbraw/zinc/18/76/37/346187637.db2.gz NXOZHSRVMWUVHN-LVQVYYBASA-N 1 3 282.497 3.267 20 0 CGADHO C/C(=C\c1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000295138484 199367586 /nfs/dbraw/zinc/36/75/86/199367586.db2.gz ZKMKUUXPEFJXGU-CWWKMALHSA-N 1 3 270.420 3.305 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000220761842 346296698 /nfs/dbraw/zinc/29/66/98/346296698.db2.gz UQRWXVFYBCBKHE-JOYOIKCWSA-N 1 3 260.303 3.093 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cccc(F)c2F)CC1 ZINC000224984743 346302646 /nfs/dbraw/zinc/30/26/46/346302646.db2.gz STACAUHOTIVYJM-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO CC(C)(C)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000236619842 346341612 /nfs/dbraw/zinc/34/16/12/346341612.db2.gz LJMYVTJXZNMWRQ-KRWDZBQOSA-N 1 3 274.452 3.187 20 0 CGADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(Cl)c1 ZINC000300248489 346436572 /nfs/dbraw/zinc/43/65/72/346436572.db2.gz POOJGKAPPRFYDP-TZMCWYRMSA-N 1 3 266.816 3.221 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000339068104 346501026 /nfs/dbraw/zinc/50/10/26/346501026.db2.gz NXOZHSRVMWUVHN-FXUDXRNXSA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068104 346501029 /nfs/dbraw/zinc/50/10/29/346501029.db2.gz NXOZHSRVMWUVHN-FXUDXRNXSA-N 1 3 282.497 3.267 20 0 CGADHO CCS[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068104 346501032 /nfs/dbraw/zinc/50/10/32/346501032.db2.gz NXOZHSRVMWUVHN-FXUDXRNXSA-N 1 3 282.497 3.267 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(OC)c1 ZINC000624120769 349978618 /nfs/dbraw/zinc/97/86/18/349978618.db2.gz GTANMWCTAKSQNS-QAPCUYQASA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121685 349979774 /nfs/dbraw/zinc/97/97/74/349979774.db2.gz BBGAXYDRHDINCL-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121892 349980544 /nfs/dbraw/zinc/98/05/44/349980544.db2.gz FTPWGMIEDPOFPU-HOCLYGCPSA-N 1 3 280.481 3.391 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1nc2ccccc2o1 ZINC000606363789 348177282 /nfs/dbraw/zinc/17/72/82/348177282.db2.gz IPXCLDUJXREBAD-CQSZACIVSA-N 1 3 289.423 3.428 20 0 CGADHO CC(C)C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccncc1 ZINC000624123496 349983104 /nfs/dbraw/zinc/98/31/04/349983104.db2.gz NFOLDXHNIJXARB-FUHWJXTLSA-N 1 3 289.467 3.490 20 0 CGADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000624123217 349982855 /nfs/dbraw/zinc/98/28/55/349982855.db2.gz IEAVBGNIEHHVEY-RHSMWYFYSA-N 1 3 288.435 3.091 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000359028759 233244546 /nfs/dbraw/zinc/24/45/46/233244546.db2.gz KBNKXRYRKOPTLY-JLZZUVOBSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000359028759 233244548 /nfs/dbraw/zinc/24/45/48/233244548.db2.gz KBNKXRYRKOPTLY-JLZZUVOBSA-N 1 3 276.399 3.133 20 0 CGADHO CC[N@@H+]1CC[C@H](NCC2(C(F)(F)F)CCCC2)[C@@H](C)C1 ZINC000624272649 350017007 /nfs/dbraw/zinc/01/70/07/350017007.db2.gz NOVGXTWHNUZOFO-STQMWFEESA-N 1 3 292.389 3.429 20 0 CGADHO CC[N@H+]1CC[C@H](NCC2(C(F)(F)F)CCCC2)[C@@H](C)C1 ZINC000624272649 350017012 /nfs/dbraw/zinc/01/70/12/350017012.db2.gz NOVGXTWHNUZOFO-STQMWFEESA-N 1 3 292.389 3.429 20 0 CGADHO CO[C@@H](C)[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000359801972 233378428 /nfs/dbraw/zinc/37/84/28/233378428.db2.gz YSVYPCWPMJOIQE-CVEARBPZSA-N 1 3 290.451 3.186 20 0 CGADHO CO[C@H](C)[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000359801978 233378721 /nfs/dbraw/zinc/37/87/21/233378721.db2.gz YSVYPCWPMJOIQE-JKSUJKDBSA-N 1 3 290.451 3.186 20 0 CGADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186738 350429925 /nfs/dbraw/zinc/42/99/25/350429925.db2.gz UYGDVODOVVTSAD-SJORKVTESA-N 1 3 274.452 3.372 20 0 CGADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186738 350429929 /nfs/dbraw/zinc/42/99/29/350429929.db2.gz UYGDVODOVVTSAD-SJORKVTESA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186738 350429930 /nfs/dbraw/zinc/42/99/30/350429930.db2.gz UYGDVODOVVTSAD-SJORKVTESA-N 1 3 274.452 3.372 20 0 CGADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628186738 350429934 /nfs/dbraw/zinc/42/99/34/350429934.db2.gz UYGDVODOVVTSAD-SJORKVTESA-N 1 3 274.452 3.372 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628208146 350440253 /nfs/dbraw/zinc/44/02/53/350440253.db2.gz AHWMMQHASVXHDI-IAGOWNOFSA-N 1 3 274.452 3.420 20 0 CGADHO Cc1ccc([C@@H](NCCOCCC[NH3+])c2ccccc2)cc1 ZINC000629536378 350706151 /nfs/dbraw/zinc/70/61/51/350706151.db2.gz GWWAMCLQLAOSEW-IBGZPJMESA-N 1 3 298.430 3.039 20 0 CGADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550253 350711099 /nfs/dbraw/zinc/71/10/99/350711099.db2.gz KQYIITHIHPLJCQ-ZWKOTPCHSA-N 1 3 295.430 3.498 20 0 CGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000629554652 350712280 /nfs/dbraw/zinc/71/22/80/350712280.db2.gz LVWFWHDRFAFVHZ-TZMCWYRMSA-N 1 3 273.424 3.080 20 0 CGADHO [NH3+]C[C@@H]1CN(CC2CCCCC2)CC[C@H]1C(F)(F)F ZINC000629560129 350713510 /nfs/dbraw/zinc/71/35/10/350713510.db2.gz DFLXKBRWLIWWTM-CHWSQXEVSA-N 1 3 278.362 3.026 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000629514790 350699531 /nfs/dbraw/zinc/69/95/31/350699531.db2.gz OWADREFJXWVFDD-QAETUUGQSA-N 1 3 272.436 3.286 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000629514790 350699534 /nfs/dbraw/zinc/69/95/34/350699534.db2.gz OWADREFJXWVFDD-QAETUUGQSA-N 1 3 272.436 3.286 20 0 CGADHO C[C@@H]1CCC[C@H](CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629656764 350731162 /nfs/dbraw/zinc/73/11/62/350731162.db2.gz QHFBEXMGUSCDLE-RQJABVFESA-N 1 3 292.389 3.272 20 0 CGADHO FC(F)c1ccc(CNCCCCC[NH+]2CCCC2)cn1 ZINC000631144798 350968824 /nfs/dbraw/zinc/96/88/24/350968824.db2.gz RWHQGFRXFBSYGO-UHFFFAOYSA-N 1 3 297.393 3.375 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733331 351578238 /nfs/dbraw/zinc/57/82/38/351578238.db2.gz CTTSOIHVWUHUTJ-CZUORRHYSA-N 1 3 278.415 3.125 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733331 351578243 /nfs/dbraw/zinc/57/82/43/351578243.db2.gz CTTSOIHVWUHUTJ-CZUORRHYSA-N 1 3 278.415 3.125 20 0 CGADHO N[C@@H](CC[NH2+][C@@H]1CCc2ccccc2C1)Cc1ccccc1 ZINC000635006844 351624926 /nfs/dbraw/zinc/62/49/26/351624926.db2.gz TXHGFUJXGIZFMB-VQTJNVASSA-N 1 3 294.442 3.094 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009999 351628344 /nfs/dbraw/zinc/62/83/44/351628344.db2.gz ILYXCUXAPFYVCK-XIRDDKMYSA-N 1 3 290.451 3.130 20 0 CGADHO N[C@H](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)Cc1ccccc1 ZINC000635010201 351628444 /nfs/dbraw/zinc/62/84/44/351628444.db2.gz ZAKVUZDRTYEEOU-KURKYZTESA-N 1 3 272.436 3.115 20 0 CGADHO CC(C)[C@@H](NCc1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC000635011561 351629753 /nfs/dbraw/zinc/62/97/53/351629753.db2.gz QSZMVKXMUYZPLD-LJQANCHMSA-N 1 3 295.430 3.214 20 0 CGADHO CC[C@H]([NH2+]Cc1cccc2c1CCNC2)C1CCC1 ZINC000635012534 351630529 /nfs/dbraw/zinc/63/05/29/351630529.db2.gz VUBLDYBIOKUOHN-KRWDZBQOSA-N 1 3 258.409 3.001 20 0 CGADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000635012642 351630688 /nfs/dbraw/zinc/63/06/88/351630688.db2.gz UXGLLNRUMQZGEC-KBPBESRZSA-N 1 3 250.430 3.077 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000635012562 351630754 /nfs/dbraw/zinc/63/07/54/351630754.db2.gz WGVQKSSJZZEDKD-VBKZILBWSA-N 1 3 292.426 3.355 20 0 CGADHO CCC[NH+]1CCC(CN[C@@H](C)c2ccco2)CC1 ZINC000122757702 187050065 /nfs/dbraw/zinc/05/00/65/187050065.db2.gz VWJCCKKLCXSMNV-ZDUSSCGKSA-N 1 3 250.386 3.052 20 0 CGADHO Cc1oc2ccccc2c1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000123584500 187099948 /nfs/dbraw/zinc/09/99/48/187099948.db2.gz NGCLJSHQRQSYKA-TZMCWYRMSA-N 1 3 272.392 3.300 20 0 CGADHO COCc1ccccc1/C=C(/C)CN[C@@H](C)CC[NH+](C)C ZINC000352285001 219393491 /nfs/dbraw/zinc/39/34/91/219393491.db2.gz CSTGZJBISUHVIO-IRVMHKCDSA-N 1 3 290.451 3.166 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000125959304 535175798 /nfs/dbraw/zinc/17/57/98/535175798.db2.gz GHIKIELIIQGJPV-HUUCEWRRSA-N 1 3 282.472 3.043 20 0 CGADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155696 198184016 /nfs/dbraw/zinc/18/40/16/198184016.db2.gz OCAYZTHIMZAZLI-MRXNPFEDSA-N 1 3 280.362 3.152 20 0 CGADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)C1 ZINC000292155696 198184017 /nfs/dbraw/zinc/18/40/17/198184017.db2.gz OCAYZTHIMZAZLI-MRXNPFEDSA-N 1 3 280.362 3.152 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000156091150 188242064 /nfs/dbraw/zinc/24/20/64/188242064.db2.gz AXBRFLXKXQCVOO-KBAYOESNSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000156091150 188242066 /nfs/dbraw/zinc/24/20/66/188242066.db2.gz AXBRFLXKXQCVOO-KBAYOESNSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000271828797 191352300 /nfs/dbraw/zinc/35/23/00/191352300.db2.gz DPJYNWMBFLUXIA-LBPRGKRZSA-N 1 3 296.361 3.201 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cc(F)ccc1F ZINC000414170422 235352899 /nfs/dbraw/zinc/35/28/99/235352899.db2.gz BZEYJEOWXUNNDO-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cc(F)ccc1F ZINC000414170422 235352901 /nfs/dbraw/zinc/35/29/01/235352901.db2.gz BZEYJEOWXUNNDO-QWHCGFSZSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1occc1CNCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000414288330 235380259 /nfs/dbraw/zinc/38/02/59/235380259.db2.gz PSGXBVYATAIKIB-GJZGRUSLSA-N 1 3 278.440 3.436 20 0 CGADHO Fc1cccc(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415094097 235529348 /nfs/dbraw/zinc/52/93/48/235529348.db2.gz WOVJFXWDKGIPGV-KZNAEPCWSA-N 1 3 290.426 3.269 20 0 CGADHO C[NH+](C)CCCC1CCN(Cc2ccsc2)CC1 ZINC000093688735 138347897 /nfs/dbraw/zinc/34/78/97/138347897.db2.gz SKYIWTOZEGXUIB-UHFFFAOYSA-N 1 3 266.454 3.302 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000125959534 138384573 /nfs/dbraw/zinc/38/45/73/138384573.db2.gz GHIKIELIIQGJPV-LSDHHAIUSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126267849 138385432 /nfs/dbraw/zinc/38/54/32/138385432.db2.gz HTVOUMUQNYGIRF-JTQLQIEISA-N 1 3 286.341 3.096 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000422767908 235915422 /nfs/dbraw/zinc/91/54/22/235915422.db2.gz NFDFACWUANRERO-BFHYXJOUSA-N 1 3 260.425 3.342 20 0 CGADHO COc1ccc([C@H](C)N[C@H](C[NH3+])C2CC2)c2ccccc12 ZINC000423279034 236019397 /nfs/dbraw/zinc/01/93/97/236019397.db2.gz QVTZTFUQWKMPLM-YVEFUNNKSA-N 1 3 284.403 3.236 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H](C[NH3+])C1CC1 ZINC000423281306 236020954 /nfs/dbraw/zinc/02/09/54/236020954.db2.gz UEQYBFSTRXUNCA-HOTGVXAUSA-N 1 3 258.409 3.008 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)N)c1cc2c(s1)CCCC2 ZINC000423281765 236021051 /nfs/dbraw/zinc/02/10/51/236021051.db2.gz BOOVAKHUQWHITR-JTQLQIEISA-N 1 3 252.427 3.015 20 0 CGADHO COc1cccc(C[C@H](NC[C@H](C)C[NH3+])c2ccccc2)c1 ZINC000423296198 236027914 /nfs/dbraw/zinc/02/79/14/236027914.db2.gz GILCUOYTNGWHSE-BEFAXECRSA-N 1 3 298.430 3.163 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)[C@@H]1C[C@H]1c1ccccc1 ZINC000423268826 236015254 /nfs/dbraw/zinc/01/52/54/236015254.db2.gz FCAZRZPIYDJDQM-ITWBUVANSA-N 1 3 272.436 3.286 20 0 CGADHO Cc1ccc2cc([C@H](C)[NH2+][C@@H](CN)C3CC3)oc2c1 ZINC000423273817 236017845 /nfs/dbraw/zinc/01/78/45/236017845.db2.gz JNHBAFHNUIQNLW-FZMZJTMJSA-N 1 3 258.365 3.129 20 0 CGADHO N[C@H](C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000423310729 236033872 /nfs/dbraw/zinc/03/38/72/236033872.db2.gz AWVBQOKNTWRQKS-HUUCEWRRSA-N 1 3 298.352 3.483 20 0 CGADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@]1(C)CCCNC1 ZINC000423323242 236038018 /nfs/dbraw/zinc/03/80/18/236038018.db2.gz AETZKOUIKIZXNM-CXAGYDPISA-N 1 3 296.405 3.265 20 0 CGADHO N[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000423321213 236038161 /nfs/dbraw/zinc/03/81/61/236038161.db2.gz NBFNRNNAQCRZFU-LSDHHAIUSA-N 1 3 264.800 3.118 20 0 CGADHO C[C@H](Cc1coc2ccccc12)NC[C@]1(C)CCC[NH2+]C1 ZINC000423332870 236042480 /nfs/dbraw/zinc/04/24/80/236042480.db2.gz HIVNZBLFDQVDAF-RDTXWAMCSA-N 1 3 286.419 3.343 20 0 CGADHO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@]1(C)CCCNC1 ZINC000423332870 236042482 /nfs/dbraw/zinc/04/24/82/236042482.db2.gz HIVNZBLFDQVDAF-RDTXWAMCSA-N 1 3 286.419 3.343 20 0 CGADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(Br)c1 ZINC000423348618 236046619 /nfs/dbraw/zinc/04/66/19/236046619.db2.gz UNBPVFKJKFNCDI-NSHDSACASA-N 1 3 295.224 3.019 20 0 CGADHO Cc1cc([C@H]([NH2+][C@@H]2CCNC[C@H]2C)C2CC2)ccc1F ZINC000423390200 236059407 /nfs/dbraw/zinc/05/94/07/236059407.db2.gz JVZKGHMPVGUXIZ-CSMYWGQOSA-N 1 3 276.399 3.173 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423353844 236048491 /nfs/dbraw/zinc/04/84/91/236048491.db2.gz DWCYKXGRMLKGCH-CYBMUJFWSA-N 1 3 284.378 3.150 20 0 CGADHO COCCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423364099 236050052 /nfs/dbraw/zinc/05/00/52/236050052.db2.gz JKOIQDDXWHSWSF-ULQDDVLXSA-N 1 3 294.414 3.153 20 0 CGADHO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423368589 236053150 /nfs/dbraw/zinc/05/31/50/236053150.db2.gz BEOGKZIQEQSIFB-ZOBUZTSGSA-N 1 3 272.436 3.411 20 0 CGADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000423440802 236071371 /nfs/dbraw/zinc/07/13/71/236071371.db2.gz OVQPSHAJTSCVRT-CIISACIHSA-N 1 3 280.362 3.004 20 0 CGADHO [NH3+][C@H]1C[C@H](NC[C@@H]2C[C@H]2C2CCC2)c2ccccc21 ZINC000424387947 236159027 /nfs/dbraw/zinc/15/90/27/236159027.db2.gz YYWYICODOGMWGR-STECZYCISA-N 1 3 256.393 3.157 20 0 CGADHO C[C@@H]1CC2(CN1Cc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424288685 236143066 /nfs/dbraw/zinc/14/30/66/236143066.db2.gz KZFNBUJPUPYJHD-GFCCVEGCSA-N 1 3 296.817 3.443 20 0 CGADHO Cc1cccc(C[C@H]([NH2+]C[C@@H](C)CN(C)C)C2CC2)c1 ZINC000425945487 236275290 /nfs/dbraw/zinc/27/52/90/236275290.db2.gz RCRRCAOIVYSNAR-QAPCUYQASA-N 1 3 274.452 3.103 20 0 CGADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccncc1F ZINC000340472229 299288767 /nfs/dbraw/zinc/28/87/67/299288767.db2.gz HIOWMZWIKLFJRO-CABCVRRESA-N 1 3 293.430 3.383 20 0 CGADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccncc1F ZINC000340472229 299288772 /nfs/dbraw/zinc/28/87/72/299288772.db2.gz HIOWMZWIKLFJRO-CABCVRRESA-N 1 3 293.430 3.383 20 0 CGADHO CC[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241382 189291927 /nfs/dbraw/zinc/29/19/27/189291927.db2.gz ZRMXOJFHEYAFHJ-ZACQAIPSSA-N 1 3 290.451 3.225 20 0 CGADHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1C ZINC000181241382 189291928 /nfs/dbraw/zinc/29/19/28/189291928.db2.gz ZRMXOJFHEYAFHJ-ZACQAIPSSA-N 1 3 290.451 3.225 20 0 CGADHO C[C@H](Cc1ccoc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000449061307 239149697 /nfs/dbraw/zinc/14/96/97/239149697.db2.gz IFDOWAFGKSDEIJ-CABCVRRESA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](Cc1ccoc1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000449061307 239149702 /nfs/dbraw/zinc/14/97/02/239149702.db2.gz IFDOWAFGKSDEIJ-CABCVRRESA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H](Cc1ccoc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000449061307 239149708 /nfs/dbraw/zinc/14/97/08/239149708.db2.gz IFDOWAFGKSDEIJ-CABCVRRESA-N 1 3 264.413 3.065 20 0 CGADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccncc2F)C1 ZINC000449081113 239163009 /nfs/dbraw/zinc/16/30/09/239163009.db2.gz BVWQJKCPLLQFEL-GJZGRUSLSA-N 1 3 293.430 3.068 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000449176105 239223265 /nfs/dbraw/zinc/22/32/65/239223265.db2.gz RZKOFUWGHJWXOY-HOTGVXAUSA-N 1 3 272.392 3.395 20 0 CGADHO Cc1ccc2nccc(NCC[N@@H+](C)C(C)C)c2c1 ZINC000302177890 201383118 /nfs/dbraw/zinc/38/31/18/201383118.db2.gz XVSNYOZDOAVPMV-UHFFFAOYSA-N 1 3 257.381 3.295 20 0 CGADHO Cc1ccc2nccc(NCC[N@H+](C)C(C)C)c2c1 ZINC000302177890 201383121 /nfs/dbraw/zinc/38/31/21/201383121.db2.gz XVSNYOZDOAVPMV-UHFFFAOYSA-N 1 3 257.381 3.295 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)[C@@H]1CCCNC1 ZINC000423153709 299344308 /nfs/dbraw/zinc/34/43/08/299344308.db2.gz GTVZNZGEEKKFQA-CWVYHPPDSA-N 1 3 252.446 3.179 20 0 CGADHO CCn1ccnc1[C@@H](C)N[C@@H](C)CCC[NH+](CC)CC ZINC000453052807 240676778 /nfs/dbraw/zinc/67/67/78/240676778.db2.gz DIBMYUVLCSOJPK-LSDHHAIUSA-N 1 3 280.460 3.064 20 0 CGADHO COC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCCC1 ZINC000275725778 193113460 /nfs/dbraw/zinc/11/34/60/193113460.db2.gz PAIDARJIKIZKRB-GOSISDBHSA-N 1 3 290.451 3.043 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404572 370858253 /nfs/dbraw/zinc/85/82/53/370858253.db2.gz POLOAIHAZJRPTP-RHSMWYFYSA-N 1 3 278.415 3.030 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2F)[C@H](C)C1 ZINC000121404572 370858255 /nfs/dbraw/zinc/85/82/55/370858255.db2.gz POLOAIHAZJRPTP-RHSMWYFYSA-N 1 3 278.415 3.030 20 0 CGADHO C[C@]1(CN2CCC[C@H]2CCc2ccccc2)CC[NH2+]C1 ZINC000261769179 291380821 /nfs/dbraw/zinc/38/08/21/291380821.db2.gz MLNWTDMVMAINFN-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO C(CN1CCC(C[NH+]2CCCC2)CC1)OCC1CCCC1 ZINC000459292341 242057989 /nfs/dbraw/zinc/05/79/89/242057989.db2.gz DKXWFWJMCAHOCF-UHFFFAOYSA-N 1 3 294.483 3.001 20 0 CGADHO FC1(F)CCC(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000459348028 242082654 /nfs/dbraw/zinc/08/26/54/242082654.db2.gz VWSZXMLUEWPYEQ-HNNXBMFYSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000459348028 242082657 /nfs/dbraw/zinc/08/26/57/242082657.db2.gz VWSZXMLUEWPYEQ-HNNXBMFYSA-N 1 3 286.410 3.230 20 0 CGADHO FC1(F)CCC(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000459348028 242082662 /nfs/dbraw/zinc/08/26/62/242082662.db2.gz VWSZXMLUEWPYEQ-HNNXBMFYSA-N 1 3 286.410 3.230 20 0 CGADHO Clc1cccc(CCNC2CC([NH+]3CCCCC3)C2)c1 ZINC000459538262 242126657 /nfs/dbraw/zinc/12/66/57/242126657.db2.gz ZBCMXEJNYBITFH-UHFFFAOYSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000477927961 243061666 /nfs/dbraw/zinc/06/16/66/243061666.db2.gz QGUFTHBJZFDDTM-LSDHHAIUSA-N 1 3 252.446 3.277 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000479120472 243094626 /nfs/dbraw/zinc/09/46/26/243094626.db2.gz UCGXLPMAMUNPCS-BLLLJJGKSA-N 1 3 278.827 3.259 20 0 CGADHO CC[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000480599709 243155467 /nfs/dbraw/zinc/15/54/67/243155467.db2.gz CLVJXWWHORMPIQ-IJEWVQPXSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000479994556 243132959 /nfs/dbraw/zinc/13/29/59/243132959.db2.gz QRHOMXOSLJVRHY-IUODEOHRSA-N 1 3 298.883 3.362 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCSc1ccc(Cl)cc1 ZINC000479994556 243132963 /nfs/dbraw/zinc/13/29/63/243132963.db2.gz QRHOMXOSLJVRHY-IUODEOHRSA-N 1 3 298.883 3.362 20 0 CGADHO C[NH+](C)CC1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000481020979 243172819 /nfs/dbraw/zinc/17/28/19/243172819.db2.gz VKTQYMLFIZCICX-UHFFFAOYSA-N 1 3 298.833 3.295 20 0 CGADHO C[C@H](C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C)CN1CCCC1 ZINC000481305768 243186171 /nfs/dbraw/zinc/18/61/71/243186171.db2.gz KCRBNDUPEVTBHW-HBUWYVDXSA-N 1 3 290.426 3.381 20 0 CGADHO Fc1cccc(C2CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000036997011 369048774 /nfs/dbraw/zinc/04/87/74/369048774.db2.gz DAIWEKBTOAOYMR-XAWIXRBMSA-N 1 3 288.410 3.288 20 0 CGADHO Fc1cccc(C2CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000036997011 369048777 /nfs/dbraw/zinc/04/87/77/369048777.db2.gz DAIWEKBTOAOYMR-XAWIXRBMSA-N 1 3 288.410 3.288 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649169 369094195 /nfs/dbraw/zinc/09/41/95/369094195.db2.gz OSAGBIACIPGEEJ-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649169 369094201 /nfs/dbraw/zinc/09/42/01/369094201.db2.gz OSAGBIACIPGEEJ-GUYCJALGSA-N 1 3 276.399 3.351 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OC)cc1 ZINC000037067412 369057408 /nfs/dbraw/zinc/05/74/08/369057408.db2.gz IGJDLVUFFUPHSY-MMNRESRNSA-N 1 3 288.435 3.361 20 0 CGADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000037067412 369057412 /nfs/dbraw/zinc/05/74/12/369057412.db2.gz IGJDLVUFFUPHSY-MMNRESRNSA-N 1 3 288.435 3.361 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)CN1CCCCC1 ZINC000037997623 369135956 /nfs/dbraw/zinc/13/59/56/369135956.db2.gz MGZVZTGDCCEDEC-PMPSAXMXSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@H](C)C1 ZINC000128043819 370958829 /nfs/dbraw/zinc/95/88/29/370958829.db2.gz FANVVYSXIZNYQC-QCODTGAPSA-N 1 3 250.430 3.028 20 0 CGADHO CSc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197460 369643917 /nfs/dbraw/zinc/64/39/17/369643917.db2.gz SILMYVNJYIGTRU-QGZVFWFLSA-N 1 3 290.476 3.373 20 0 CGADHO CC(C)Oc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148431 369782829 /nfs/dbraw/zinc/78/28/29/369782829.db2.gz HCAIWNFIMCJKKG-MRXNPFEDSA-N 1 3 276.424 3.177 20 0 CGADHO C[C@H](c1ccc(F)c(F)c1)N1CCC[C@H](CC[NH3+])C1 ZINC000070169595 369786117 /nfs/dbraw/zinc/78/61/17/369786117.db2.gz JXYJWVRPGMRXJU-VXGBXAGGSA-N 1 3 268.351 3.087 20 0 CGADHO [NH3+]CC[C@H]1CCCN(Cc2ccccc2Br)C1 ZINC000070169720 369786125 /nfs/dbraw/zinc/78/61/25/369786125.db2.gz KCCPZKITPBCPHZ-GFCCVEGCSA-N 1 3 297.240 3.010 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc3ccccc3c2)C1 ZINC000070171873 369786139 /nfs/dbraw/zinc/78/61/39/369786139.db2.gz RHOAZGPWTACJCW-KSSFIOAISA-N 1 3 268.404 3.399 20 0 CGADHO Cc1ccc(OCCCN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000070174130 369788265 /nfs/dbraw/zinc/78/82/65/369788265.db2.gz CZOSFHLQAFEZMZ-IAGOWNOFSA-N 1 3 290.451 3.132 20 0 CGADHO C[N@@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000513654496 245087659 /nfs/dbraw/zinc/08/76/59/245087659.db2.gz IUACPNHKQYUDCU-OWCLPIDISA-N 1 3 278.827 3.302 20 0 CGADHO C[N@H+]1CC[C@H](NCc2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000513654496 245087661 /nfs/dbraw/zinc/08/76/61/245087661.db2.gz IUACPNHKQYUDCU-OWCLPIDISA-N 1 3 278.827 3.302 20 0 CGADHO CN1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000513654496 245087664 /nfs/dbraw/zinc/08/76/64/245087664.db2.gz IUACPNHKQYUDCU-OWCLPIDISA-N 1 3 278.827 3.302 20 0 CGADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)[C@H]1CCCC[C@H]1C ZINC000423271943 299417952 /nfs/dbraw/zinc/41/79/52/299417952.db2.gz HRTCSHIUIVOZOU-YXMSTPNBSA-N 1 3 252.446 3.308 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCC(F)(F)F ZINC000148640342 371522910 /nfs/dbraw/zinc/52/29/10/371522910.db2.gz ZDKMGHHYVDKCJL-NEPJUHHUSA-N 1 3 266.351 3.229 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccncc1Cl ZINC000421863715 371686634 /nfs/dbraw/zinc/68/66/34/371686634.db2.gz XNZGKTCKFRXVBV-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccncc1Cl ZINC000421863715 371686636 /nfs/dbraw/zinc/68/66/36/371686636.db2.gz XNZGKTCKFRXVBV-CHWSQXEVSA-N 1 3 281.831 3.118 20 0 CGADHO CSc1ccccc1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422626027 371755008 /nfs/dbraw/zinc/75/50/08/371755008.db2.gz DBLKXLNXKCUFPZ-NFAWXSAZSA-N 1 3 278.465 3.214 20 0 CGADHO C[C@@H]1C[C@H](C)N(CCCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422631179 371755520 /nfs/dbraw/zinc/75/55/20/371755520.db2.gz FEPPRSMOPVNKBG-GRYCIOLGSA-N 1 3 266.351 3.024 20 0 CGADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1Cl ZINC000422732775 371771941 /nfs/dbraw/zinc/77/19/41/371771941.db2.gz QIWBDZSFUVGSRQ-ZIAGYGMSSA-N 1 3 284.806 3.226 20 0 CGADHO C[C@@H](CCCC[NH3+])N[C@H](c1ccccc1)c1ccccn1 ZINC000422762034 371793077 /nfs/dbraw/zinc/79/30/77/371793077.db2.gz NGCJKPMRGQTVLG-MAUKXSAKSA-N 1 3 283.419 3.278 20 0 CGADHO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422736191 371775740 /nfs/dbraw/zinc/77/57/40/371775740.db2.gz FTKFOLYCEJRQNJ-HUUCEWRRSA-N 1 3 297.446 3.439 20 0 CGADHO Cc1cccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1C ZINC000422743161 371779362 /nfs/dbraw/zinc/77/93/62/371779362.db2.gz ICIVWTCHRQAYBW-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)c1C ZINC000422743161 371779369 /nfs/dbraw/zinc/77/93/69/371779369.db2.gz ICIVWTCHRQAYBW-JYJNAYRXSA-N 1 3 260.425 3.342 20 0 CGADHO Cc1cccc(OC[C@H](C)[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000422744914 371780635 /nfs/dbraw/zinc/78/06/35/371780635.db2.gz WTSQQVLIKXAWOD-JVPBZIDWSA-N 1 3 296.414 3.497 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337333499 214013384 /nfs/dbraw/zinc/01/33/84/214013384.db2.gz JSVXJKMLDBXPOR-RYRKJORJSA-N 1 3 287.451 3.039 20 0 CGADHO Cc1ccc(SCCN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422757963 371789032 /nfs/dbraw/zinc/78/90/32/371789032.db2.gz DJPQKABWLBSPIT-GOEBONIOSA-N 1 3 278.465 3.065 20 0 CGADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCc2c1cccc2F ZINC000422760664 371789662 /nfs/dbraw/zinc/78/96/62/371789662.db2.gz LBIJRNFFNXFUJI-XIKOKIGWSA-N 1 3 299.393 3.326 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@H]1NCCSCc1ccccc1F ZINC000422761141 371790686 /nfs/dbraw/zinc/79/06/86/371790686.db2.gz HEWBHSUPMLPNOK-HZPDHXFCSA-N 1 3 296.455 3.309 20 0 CGADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)COC(C)C)c1 ZINC000337341255 214016968 /nfs/dbraw/zinc/01/69/68/214016968.db2.gz QHGRTUCRTYQQSW-HNNXBMFYSA-N 1 3 278.440 3.041 20 0 CGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)COC(C)C)c1 ZINC000337341255 214016970 /nfs/dbraw/zinc/01/69/70/214016970.db2.gz QHGRTUCRTYQQSW-HNNXBMFYSA-N 1 3 278.440 3.041 20 0 CGADHO Cc1cc(Br)cc(C)c1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422828452 371831567 /nfs/dbraw/zinc/83/15/67/371831567.db2.gz TWLKBEVCKHYRFH-NWDGAFQWSA-N 1 3 299.256 3.281 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000422830334 371833204 /nfs/dbraw/zinc/83/32/04/371833204.db2.gz CSFWJTNLIHUABX-KZTGVZKYSA-N 1 3 264.388 3.165 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCNc1ccccc1 ZINC000422766467 371794831 /nfs/dbraw/zinc/79/48/31/371794831.db2.gz XJHAPQUZSHKZTJ-AEFFLSMTSA-N 1 3 289.467 3.389 20 0 CGADHO C[C@H](OCCC[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccc1 ZINC000422787786 371809160 /nfs/dbraw/zinc/80/91/60/371809160.db2.gz QKOXWHKTAVBEMC-CGTJXYLNSA-N 1 3 290.451 3.261 20 0 CGADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422799272 371816656 /nfs/dbraw/zinc/81/66/56/371816656.db2.gz VZWGVEQVMSTMND-ZIAGYGMSSA-N 1 3 286.341 3.455 20 0 CGADHO CCC(CC)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422798080 371816814 /nfs/dbraw/zinc/81/68/14/371816814.db2.gz PQMPWUVITYPHMB-HOTGVXAUSA-N 1 3 260.425 3.214 20 0 CGADHO C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1F ZINC000422799573 371817674 /nfs/dbraw/zinc/81/76/74/371817674.db2.gz XKBKNRAGGKUEEK-LYRGGWFBSA-N 1 3 282.378 3.318 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000422804584 371821166 /nfs/dbraw/zinc/82/11/66/371821166.db2.gz HPFPLTMKZGNWHT-IDCNUPLLSA-N 1 3 290.451 3.178 20 0 CGADHO Cc1ccc([C@@H]2OCCC[C@@H]2CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422804584 371821173 /nfs/dbraw/zinc/82/11/73/371821173.db2.gz HPFPLTMKZGNWHT-IDCNUPLLSA-N 1 3 290.451 3.178 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1CCCCC1 ZINC000422805246 371821485 /nfs/dbraw/zinc/82/14/85/371821485.db2.gz IXTBZBFQNDJBPA-ZDUSSCGKSA-N 1 3 275.440 3.470 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422808073 371822403 /nfs/dbraw/zinc/82/24/03/371822403.db2.gz QBHFOWMQLPZWDM-UWWQBHOKSA-N 1 3 272.436 3.084 20 0 CGADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000422807699 371822745 /nfs/dbraw/zinc/82/27/45/371822745.db2.gz PBXXUVKIBLWSNC-GARJFASQSA-N 1 3 272.339 3.064 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc2ccccc2c1 ZINC000422814334 371827121 /nfs/dbraw/zinc/82/71/21/371827121.db2.gz UJQQKBGUWALYMJ-KXBFYZLASA-N 1 3 298.430 3.196 20 0 CGADHO CSc1cc(C)ccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422871205 371846474 /nfs/dbraw/zinc/84/64/74/371846474.db2.gz CSVVYPOAWAOWED-UKRRQHHQSA-N 1 3 278.465 3.324 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422946611 371885321 /nfs/dbraw/zinc/88/53/21/371885321.db2.gz PGNCLDMQYBEFCI-RBUKOAKNSA-N 1 3 282.431 3.489 20 0 CGADHO CCCOc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422888180 371856034 /nfs/dbraw/zinc/85/60/34/371856034.db2.gz BYJGEQMPZOOTKY-IHRRRGAJSA-N 1 3 294.439 3.260 20 0 CGADHO C[C@H](CCC[NH3+])NCc1nc2cc(Cl)ccc2s1 ZINC000422902271 371861642 /nfs/dbraw/zinc/86/16/42/371861642.db2.gz MPOGYTIPSHZINV-SECBINFHSA-N 1 3 283.828 3.167 20 0 CGADHO CC(C)c1nc([C@@H](C)N[C@@H](C)CCCC[NH3+])cs1 ZINC000422914931 371865811 /nfs/dbraw/zinc/86/58/11/371865811.db2.gz WSKZXFLHZDSBLY-NWDGAFQWSA-N 1 3 269.458 3.435 20 0 CGADHO Cc1cc(C)cc(C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422921393 371872001 /nfs/dbraw/zinc/87/20/01/371872001.db2.gz OBTBIOFHNMPOGS-QTXGHNMQSA-N 1 3 272.436 3.107 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000422931657 371877216 /nfs/dbraw/zinc/87/72/16/371877216.db2.gz CFXILVHGBIYASE-CZUORRHYSA-N 1 3 288.460 3.422 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1csc2ccccc12 ZINC000422931657 371877220 /nfs/dbraw/zinc/87/72/20/371877220.db2.gz CFXILVHGBIYASE-CZUORRHYSA-N 1 3 288.460 3.422 20 0 CGADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422933458 371877491 /nfs/dbraw/zinc/87/74/91/371877491.db2.gz HTKLFEJSDXVYNH-KBPBESRZSA-N 1 3 297.240 3.199 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422940577 371881805 /nfs/dbraw/zinc/88/18/05/371881805.db2.gz HBUDDLWHTVDKEE-CZUORRHYSA-N 1 3 280.843 3.250 20 0 CGADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422944968 371884527 /nfs/dbraw/zinc/88/45/27/371884527.db2.gz MKSVEZOQALNUTD-MSOLQXFVSA-N 1 3 268.404 3.099 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1cccc(Cl)c1F ZINC000423049287 371934288 /nfs/dbraw/zinc/93/42/88/371934288.db2.gz JVCXOTCUNIGTGI-FZMZJTMJSA-N 1 3 298.833 3.474 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1F ZINC000423049287 371934297 /nfs/dbraw/zinc/93/42/97/371934297.db2.gz JVCXOTCUNIGTGI-FZMZJTMJSA-N 1 3 298.833 3.474 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000423056218 371937591 /nfs/dbraw/zinc/93/75/91/371937591.db2.gz XPWINDVPAYYEEP-MCIONIFRSA-N 1 3 264.438 3.375 20 0 CGADHO CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423060479 371939821 /nfs/dbraw/zinc/93/98/21/371939821.db2.gz OMUNGDWXDPEAGX-IRXDYDNUSA-N 1 3 289.467 3.281 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCCc1ccc(F)cc1 ZINC000423061351 371942149 /nfs/dbraw/zinc/94/21/49/371942149.db2.gz KKPBZYYCVBWXNJ-DOTOQJQBSA-N 1 3 278.415 3.256 20 0 CGADHO CC(C)c1ccccc1OCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422959093 371893034 /nfs/dbraw/zinc/89/30/34/371893034.db2.gz QQJBPNLZONHERB-DOTOQJQBSA-N 1 3 290.451 3.296 20 0 CGADHO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422959093 371893042 /nfs/dbraw/zinc/89/30/42/371893042.db2.gz QQJBPNLZONHERB-DOTOQJQBSA-N 1 3 290.451 3.296 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2Cc3ccccc3C2)c2ccccc21 ZINC000422983860 371901760 /nfs/dbraw/zinc/90/17/60/371901760.db2.gz VLUHCZXVWMNNJC-MOPGFXCFSA-N 1 3 278.399 3.136 20 0 CGADHO c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422988115 371904154 /nfs/dbraw/zinc/90/41/54/371904154.db2.gz IEXYYTKPDBHXDX-DAUOMPHXSA-N 1 3 296.458 3.083 20 0 CGADHO CC[C@H]([NH2+]C1CCNCC1)c1ccc(OC(F)F)cc1 ZINC000422991895 371906811 /nfs/dbraw/zinc/90/68/11/371906811.db2.gz QJVKCAHIXAUUGB-AWEZNQCLSA-N 1 3 284.350 3.081 20 0 CGADHO CSCc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000423064744 371943281 /nfs/dbraw/zinc/94/32/81/371943281.db2.gz ZQYSGUHZXOKVES-CVEARBPZSA-N 1 3 278.465 3.299 20 0 CGADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422998775 371908809 /nfs/dbraw/zinc/90/88/09/371908809.db2.gz DHTLJSAQZIMSSH-BRWVUGGUSA-N 1 3 294.483 3.094 20 0 CGADHO CCOc1cc(Cl)ccc1CN[C@@H](C)CCCC[NH3+] ZINC000423002873 371910585 /nfs/dbraw/zinc/91/05/85/371910585.db2.gz KFDNEZGFVRVVJP-LBPRGKRZSA-N 1 3 284.831 3.346 20 0 CGADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000423008295 371912697 /nfs/dbraw/zinc/91/26/97/371912697.db2.gz ZSSCOKZVPJPIOB-YIONKMFJSA-N 1 3 250.430 3.075 20 0 CGADHO CS[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000423028368 371924428 /nfs/dbraw/zinc/92/44/28/371924428.db2.gz GFZJGAUSNMJHAT-LXTVHRRPSA-N 1 3 284.513 3.274 20 0 CGADHO Cc1cnc([C@H](C)CN[C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000423032977 371926150 /nfs/dbraw/zinc/92/61/50/371926150.db2.gz FWEOECTZJKOPJY-UMVBOHGHSA-N 1 3 295.496 3.455 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000423047360 371933162 /nfs/dbraw/zinc/93/31/62/371933162.db2.gz VBANSFOQKMBHRB-CGTJXYLNSA-N 1 3 288.410 3.479 20 0 CGADHO Cc1oc2ccccc2c1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423050352 371933222 /nfs/dbraw/zinc/93/32/22/371933222.db2.gz LPJQBRKSQPWJMD-YIONKMFJSA-N 1 3 284.403 3.156 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092746 371957601 /nfs/dbraw/zinc/95/76/01/371957601.db2.gz DFZUTJULKPLZSB-ODVANORSSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423092746 371957608 /nfs/dbraw/zinc/95/76/08/371957608.db2.gz DFZUTJULKPLZSB-ODVANORSSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096919 371961647 /nfs/dbraw/zinc/96/16/47/371961647.db2.gz PZAAAUDLNMEWSR-WBOJAVRRSA-N 1 3 276.399 3.049 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423096919 371961652 /nfs/dbraw/zinc/96/16/52/371961652.db2.gz PZAAAUDLNMEWSR-WBOJAVRRSA-N 1 3 276.399 3.049 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423099754 371962411 /nfs/dbraw/zinc/96/24/11/371962411.db2.gz UGNCYCJBCJAQGF-WGGXSYPISA-N 1 3 294.389 3.318 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173021 372001541 /nfs/dbraw/zinc/00/15/41/372001541.db2.gz WQLODFMZIQXHMM-RBDSIQFVSA-N 1 3 296.817 3.442 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000423173021 372001549 /nfs/dbraw/zinc/00/15/49/372001549.db2.gz WQLODFMZIQXHMM-RBDSIQFVSA-N 1 3 296.817 3.442 20 0 CGADHO CSCc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423103721 371968062 /nfs/dbraw/zinc/96/80/62/371968062.db2.gz GJWLUZLGMZJXQO-HZPDHXFCSA-N 1 3 278.465 3.157 20 0 CGADHO CSc1ccc([C@@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423108114 371970808 /nfs/dbraw/zinc/97/08/08/371970808.db2.gz STALQMWPZPFJRV-GRYCIOLGSA-N 1 3 252.427 3.185 20 0 CGADHO Cc1cc2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2[nH]1 ZINC000423115517 371973993 /nfs/dbraw/zinc/97/39/93/371973993.db2.gz YDDJEJAXVVIWKC-NZSAHSFTSA-N 1 3 297.446 3.487 20 0 CGADHO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+][C@H](C)C1CNC1 ZINC000423134335 371985339 /nfs/dbraw/zinc/98/53/39/371985339.db2.gz LZDHRYPUQXXSLR-CXAGYDPISA-N 1 3 294.870 3.495 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CSc2ccccc21 ZINC000423144298 371988387 /nfs/dbraw/zinc/98/83/87/371988387.db2.gz GQRCIRUOKRCOBG-YUELXQCFSA-N 1 3 276.449 3.126 20 0 CGADHO C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)CC1CCOCC1 ZINC000423146901 371990779 /nfs/dbraw/zinc/99/07/79/371990779.db2.gz QKVPURRZHBANDX-KZNAEPCWSA-N 1 3 294.483 3.094 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCCc2c(F)cccc21 ZINC000423144509 371991171 /nfs/dbraw/zinc/99/11/71/371991171.db2.gz HGQDFJMGEDMYDA-VUCTXSBTSA-N 1 3 276.399 3.310 20 0 CGADHO N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)c2ccccc21 ZINC000423172824 372002987 /nfs/dbraw/zinc/00/29/87/372002987.db2.gz VLLOEYJCUCFWCN-HPBDAGMYSA-N 1 3 282.362 3.416 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NC/C=C/c1ccc(Br)cc1 ZINC000423160317 371996427 /nfs/dbraw/zinc/99/64/27/371996427.db2.gz QJDMRUVSHUEVRL-QSKOYVBTSA-N 1 3 297.240 3.178 20 0 CGADHO C[C@@H](CC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423080941 371951733 /nfs/dbraw/zinc/95/17/33/371951733.db2.gz BZPLAGCQFNFBTE-NTQSIJHJSA-N 1 3 250.430 3.218 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H]2CN(C)CC[C@@H]21)c1ccc(F)cc1 ZINC000290488527 372001052 /nfs/dbraw/zinc/00/10/52/372001052.db2.gz OLCWDUQMECIYCA-HFTRVMKXSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H]2CN(C)CC[C@@H]21)c1ccc(F)cc1 ZINC000290488527 372001056 /nfs/dbraw/zinc/00/10/56/372001056.db2.gz OLCWDUQMECIYCA-HFTRVMKXSA-N 1 3 290.426 3.345 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCNC[C@H]1C ZINC000423392688 372060114 /nfs/dbraw/zinc/06/01/14/372060114.db2.gz LRHHWBLFOKMCQJ-DQYPLSBCSA-N 1 3 288.435 3.005 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CCN1 ZINC000423394405 372060481 /nfs/dbraw/zinc/06/04/81/372060481.db2.gz ZOZBEPAFNWQHNM-XNJGSVPQSA-N 1 3 283.419 3.275 20 0 CGADHO CCCN(CCSc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037538873 541865781 /nfs/dbraw/zinc/86/57/81/541865781.db2.gz NPFQTPMNLKNSGS-UHFFFAOYSA-N 1 3 296.455 3.382 20 0 CGADHO CCC[N@H+](CCSc1ccc(F)cc1)C1CCNCC1 ZINC000037538873 541865786 /nfs/dbraw/zinc/86/57/86/541865786.db2.gz NPFQTPMNLKNSGS-UHFFFAOYSA-N 1 3 296.455 3.382 20 0 CGADHO CCC[N@@H+](CCSc1ccc(F)cc1)C1CCNCC1 ZINC000037538873 541865792 /nfs/dbraw/zinc/86/57/92/541865792.db2.gz NPFQTPMNLKNSGS-UHFFFAOYSA-N 1 3 296.455 3.382 20 0 CGADHO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000423203557 372027156 /nfs/dbraw/zinc/02/71/56/372027156.db2.gz CNASCWQDFOBJQL-CABCVRRESA-N 1 3 268.404 3.490 20 0 CGADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000423205284 372028504 /nfs/dbraw/zinc/02/85/04/372028504.db2.gz FCVRHTJETSZMRP-HUUCEWRRSA-N 1 3 298.430 3.499 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2)c2ccccc12 ZINC000423205284 372028515 /nfs/dbraw/zinc/02/85/15/372028515.db2.gz FCVRHTJETSZMRP-HUUCEWRRSA-N 1 3 298.430 3.499 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000423208236 372030448 /nfs/dbraw/zinc/03/04/48/372030448.db2.gz HNHDRJHWBZDEJV-RDJZCZTQSA-N 1 3 292.492 3.393 20 0 CGADHO CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000423208236 372030454 /nfs/dbraw/zinc/03/04/54/372030454.db2.gz HNHDRJHWBZDEJV-RDJZCZTQSA-N 1 3 292.492 3.393 20 0 CGADHO Cc1cccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c1C ZINC000158122890 372053539 /nfs/dbraw/zinc/05/35/39/372053539.db2.gz VDJBYACLCINHFN-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1cccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000158122890 372053544 /nfs/dbraw/zinc/05/35/44/372053544.db2.gz VDJBYACLCINHFN-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO C[C@H](NCCC[NH3+])c1ccc(-c2cccs2)cc1 ZINC000423174342 372005276 /nfs/dbraw/zinc/00/52/76/372005276.db2.gz AKUFVYFQHJZRCU-LBPRGKRZSA-N 1 3 260.406 3.415 20 0 CGADHO COc1ccc([C@@H](C)[C@@H](C)NCC2([NH3+])CCCCC2)cc1 ZINC000423178490 372007514 /nfs/dbraw/zinc/00/75/14/372007514.db2.gz KPUSDOREFXCNPJ-LSDHHAIUSA-N 1 3 290.451 3.438 20 0 CGADHO Cc1nc(-c2ccccc2)sc1[C@H](C)NCCC[NH3+] ZINC000423179982 372008747 /nfs/dbraw/zinc/00/87/47/372008747.db2.gz DPDBFWRGAFABPD-NSHDSACASA-N 1 3 275.421 3.118 20 0 CGADHO Cc1ccsc1[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423186202 372013698 /nfs/dbraw/zinc/01/36/98/372013698.db2.gz WSCZQRMKVKMCGA-LBPRGKRZSA-N 1 3 252.427 3.369 20 0 CGADHO C[C@H](N)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423449499 372065304 /nfs/dbraw/zinc/06/53/04/372065304.db2.gz RRQBZENIXHYSBA-QYTUQVAYSA-N 1 3 297.240 3.323 20 0 CGADHO COCC(C)(C)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000426334611 372154303 /nfs/dbraw/zinc/15/43/03/372154303.db2.gz AQRXPDHWMBNUBF-NVXWUHKLSA-N 1 3 296.499 3.292 20 0 CGADHO COCC(C)(C)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000426334611 372154309 /nfs/dbraw/zinc/15/43/09/372154309.db2.gz AQRXPDHWMBNUBF-NVXWUHKLSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344294491 217137021 /nfs/dbraw/zinc/13/70/21/217137021.db2.gz ITTZFDXHQJUKPO-HIFRSBDPSA-N 1 3 250.430 3.053 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428880308 372279910 /nfs/dbraw/zinc/27/99/10/372279910.db2.gz JWNBSYNEPCPDJW-UHFFFAOYSA-N 1 3 294.386 3.444 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(OC(F)F)cc1 ZINC000293259031 372338902 /nfs/dbraw/zinc/33/89/02/372338902.db2.gz BYOAGDDRARZSES-NWDGAFQWSA-N 1 3 286.366 3.136 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(Cl)s1 ZINC000293765497 372475155 /nfs/dbraw/zinc/47/51/55/372475155.db2.gz SINMFWQMZJHRQS-VHSXEESVSA-N 1 3 260.834 3.250 20 0 CGADHO C[C@H]([NH3+])[C@H]1CCN(Cc2csc3ccccc23)C1 ZINC000163233944 372456108 /nfs/dbraw/zinc/45/61/08/372456108.db2.gz JTVWMZZQXRSGSX-RYUDHWBXSA-N 1 3 260.406 3.070 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)c1ccncc1 ZINC000163622647 372482422 /nfs/dbraw/zinc/48/24/22/372482422.db2.gz IWZMIYXXBALLPV-QGZVFWFLSA-N 1 3 275.440 3.243 20 0 CGADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163425366 372469081 /nfs/dbraw/zinc/46/90/81/372469081.db2.gz WOLWMBAXTNVAAY-JGGQBBKZSA-N 1 3 264.388 3.194 20 0 CGADHO CCOCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000165074627 372541400 /nfs/dbraw/zinc/54/14/00/372541400.db2.gz APGBQXQJVIRSBV-UHFFFAOYSA-N 1 3 282.472 3.190 20 0 CGADHO COc1ccccc1-c1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000435379761 372753798 /nfs/dbraw/zinc/75/37/98/372753798.db2.gz KRGZAUGEWYEELC-MRXNPFEDSA-N 1 3 296.414 3.143 20 0 CGADHO Cc1csc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000344606642 217247273 /nfs/dbraw/zinc/24/72/73/217247273.db2.gz FIKZDTQZIHWIEJ-QLFBSQMISA-N 1 3 264.438 3.067 20 0 CGADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000438180981 372904902 /nfs/dbraw/zinc/90/49/02/372904902.db2.gz QQQFUISDTNMBHC-SJORKVTESA-N 1 3 290.451 3.308 20 0 CGADHO CN(Cc1ccccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000172534352 372984511 /nfs/dbraw/zinc/98/45/11/372984511.db2.gz ATWABMBCQBOUGB-UHFFFAOYSA-N 1 3 298.377 3.062 20 0 CGADHO Cc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c(C)s1 ZINC000172582953 372990620 /nfs/dbraw/zinc/99/06/20/372990620.db2.gz SHBDHUWPJUQPTB-AWEZNQCLSA-N 1 3 266.454 3.139 20 0 CGADHO Cc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)c(C)s1 ZINC000172582953 372990628 /nfs/dbraw/zinc/99/06/28/372990628.db2.gz SHBDHUWPJUQPTB-AWEZNQCLSA-N 1 3 266.454 3.139 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@@H+]1C ZINC000172848922 373047172 /nfs/dbraw/zinc/04/71/72/373047172.db2.gz XGVYYZTWDBAIJQ-KBXCAEBGSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC3)CC[N@H+]1C ZINC000172848922 373047181 /nfs/dbraw/zinc/04/71/81/373047181.db2.gz XGVYYZTWDBAIJQ-KBXCAEBGSA-N 1 3 272.436 3.090 20 0 CGADHO [NH3+]CC[C@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000442918087 373128135 /nfs/dbraw/zinc/12/81/35/373128135.db2.gz FSBJUXVFIVCQCI-QDOCKXBDSA-N 1 3 280.362 3.039 20 0 CGADHO [NH3+]CC[C@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000443057864 373145464 /nfs/dbraw/zinc/14/54/64/373145464.db2.gz ILZBNDUXJJNFPA-GFCCVEGCSA-N 1 3 284.806 3.082 20 0 CGADHO C[C@@H]1CCN(CCC[NH+]2CCCCC2)CC12CCC2 ZINC000444612353 373212160 /nfs/dbraw/zinc/21/21/60/373212160.db2.gz VREBFKQKXIGDAL-MRXNPFEDSA-N 1 3 264.457 3.375 20 0 CGADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000175010042 373393455 /nfs/dbraw/zinc/39/34/55/373393455.db2.gz JNSLZEZTCLBKFF-GJZGRUSLSA-N 1 3 271.408 3.130 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000449359769 373684860 /nfs/dbraw/zinc/68/48/60/373684860.db2.gz RGUBFZVSCYXEDK-LZLYRXPVSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](CCO)CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449359769 373684865 /nfs/dbraw/zinc/68/48/65/373684865.db2.gz RGUBFZVSCYXEDK-LZLYRXPVSA-N 1 3 296.499 3.028 20 0 CGADHO Cc1cccc(C[N@@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000353649702 220226375 /nfs/dbraw/zinc/22/63/75/220226375.db2.gz TXRGYOBBUHICMN-QGZVFWFLSA-N 1 3 260.425 3.301 20 0 CGADHO Cc1cccc(C[N@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000353649702 220226378 /nfs/dbraw/zinc/22/63/78/220226378.db2.gz TXRGYOBBUHICMN-QGZVFWFLSA-N 1 3 260.425 3.301 20 0 CGADHO c1ccc2c(c1)CCC([NH2+][C@@H]1CCN3CCC[C@H]3C1)CC2 ZINC000449593436 373833773 /nfs/dbraw/zinc/83/37/73/373833773.db2.gz PETWNJZVDPUOCT-MOPGFXCFSA-N 1 3 284.447 3.150 20 0 CGADHO Cc1cc(N2CCN(Cc3ccccc3C)CC2)cc[nH+]1 ZINC000302250290 373844297 /nfs/dbraw/zinc/84/42/97/373844297.db2.gz AIELUTZPGWNXJV-UHFFFAOYSA-N 1 3 281.403 3.021 20 0 CGADHO COc1cc([C@@H](C)[NH2+]CCCN2CCCCC2)ccc1F ZINC000179394518 373867939 /nfs/dbraw/zinc/86/79/39/373867939.db2.gz KXCZITNGRBYMAS-CQSZACIVSA-N 1 3 294.414 3.361 20 0 CGADHO CCC[C@H](C)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000180363264 373995570 /nfs/dbraw/zinc/99/55/70/373995570.db2.gz JWDSZMBANOHWTA-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@H](C)C[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000180363264 373995572 /nfs/dbraw/zinc/99/55/72/373995572.db2.gz JWDSZMBANOHWTA-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO CCC[C@H](C)C[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000180363264 373995576 /nfs/dbraw/zinc/99/55/76/373995576.db2.gz JWDSZMBANOHWTA-HOTGVXAUSA-N 1 3 252.446 3.373 20 0 CGADHO CC(C)[C@@](C)(O)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305099809 374068406 /nfs/dbraw/zinc/06/84/06/374068406.db2.gz AQXVUUZBKWMEED-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO CC(C)[C@@](C)(O)C[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000305099809 374068412 /nfs/dbraw/zinc/06/84/12/374068412.db2.gz AQXVUUZBKWMEED-NJAFHUGGSA-N 1 3 296.499 3.026 20 0 CGADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C(C)(C)c1ccccc1 ZINC000181802895 374173364 /nfs/dbraw/zinc/17/33/64/374173364.db2.gz GHQREAQIQCDPKU-NVXWUHKLSA-N 1 3 274.452 3.427 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1CN)C1=CCCC1 ZINC000308768445 374179491 /nfs/dbraw/zinc/17/94/91/374179491.db2.gz YGLLEXVGRINZRK-UKRRQHHQSA-N 1 3 250.430 3.230 20 0 CGADHO CC(C)(CC[NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000328565703 374366054 /nfs/dbraw/zinc/36/60/54/374366054.db2.gz LWYZPGPHWVRJQG-UHFFFAOYSA-N 1 3 287.451 3.466 20 0 CGADHO C[C@H](CC[NH2+]C[C@@H]1CC=CCC1)N1CCCCC1 ZINC000184341353 374516379 /nfs/dbraw/zinc/51/63/79/374516379.db2.gz IJFDLQXXPOBHBN-HZPDHXFCSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@@H]([NH2+]CCC1CC1)c1cccc(OCCN(C)C)c1 ZINC000090118617 541958186 /nfs/dbraw/zinc/95/81/86/541958186.db2.gz CFHRHVHITLRFST-CQSZACIVSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](CCC1CC1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000186393468 374843096 /nfs/dbraw/zinc/84/30/96/374843096.db2.gz RYBFRPVCQLNBIM-OAHLLOKOSA-N 1 3 287.451 3.466 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000186405663 374844883 /nfs/dbraw/zinc/84/48/83/374844883.db2.gz QPDWDIGUJSGOLN-KSSFIOAISA-N 1 3 285.435 3.007 20 0 CGADHO c1ccc2c(c1)NCCC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000186405663 374844889 /nfs/dbraw/zinc/84/48/89/374844889.db2.gz QPDWDIGUJSGOLN-KSSFIOAISA-N 1 3 285.435 3.007 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000479479818 375153574 /nfs/dbraw/zinc/15/35/74/375153574.db2.gz KBNKXRYRKOPTLY-VUCTXSBTSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCCc2ccc(F)cc21 ZINC000479479818 375153577 /nfs/dbraw/zinc/15/35/77/375153577.db2.gz KBNKXRYRKOPTLY-VUCTXSBTSA-N 1 3 276.399 3.133 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)CN(C)C ZINC000491588934 375335387 /nfs/dbraw/zinc/33/53/87/375335387.db2.gz MTWFXHCWQYBSIT-KBAYOESNSA-N 1 3 274.452 3.185 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CC=CC3)CC2)C1 ZINC000122050450 542022737 /nfs/dbraw/zinc/02/27/37/542022737.db2.gz SVEFOKAIAAFDRD-WMLDXEAASA-N 1 3 262.441 3.338 20 0 CGADHO C[C@H](c1cc(F)ccc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000336128255 375707143 /nfs/dbraw/zinc/70/71/43/375707143.db2.gz ZORHHDNBCOWGFG-GFCCVEGCSA-N 1 3 280.362 3.101 20 0 CGADHO CCCCN1CCCC[C@@H]1C[NH2+]C1CCN(CCC)CC1 ZINC000126073399 542039028 /nfs/dbraw/zinc/03/90/28/542039028.db2.gz SBWQIFNHBQBHDN-GOSISDBHSA-N 1 3 295.515 3.105 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](N(C)C)C2)C1 ZINC000507878917 375728122 /nfs/dbraw/zinc/72/81/22/375728122.db2.gz PQERGQYEQMJPDU-UGUYLWEFSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)s1 ZINC000516348354 375819177 /nfs/dbraw/zinc/81/91/77/375819177.db2.gz TXIORSDWZFHONF-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)s1 ZINC000516348354 375819181 /nfs/dbraw/zinc/81/91/81/375819181.db2.gz TXIORSDWZFHONF-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)s1 ZINC000516348354 375819186 /nfs/dbraw/zinc/81/91/86/375819186.db2.gz TXIORSDWZFHONF-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c(C)s1 ZINC000516348354 375819190 /nfs/dbraw/zinc/81/91/90/375819190.db2.gz TXIORSDWZFHONF-ZBFHGGJFSA-N 1 3 278.465 3.281 20 0 CGADHO CN(CCSCC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000193618000 375898302 /nfs/dbraw/zinc/89/83/02/375898302.db2.gz GNOPRIKGBVOECP-KRWDZBQOSA-N 1 3 292.492 3.336 20 0 CGADHO CN(CCSCC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000193618000 375898309 /nfs/dbraw/zinc/89/83/09/375898309.db2.gz GNOPRIKGBVOECP-KRWDZBQOSA-N 1 3 292.492 3.336 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2sc(C)nc2C)CC1 ZINC000336820114 375977257 /nfs/dbraw/zinc/97/72/57/375977257.db2.gz BUHHRQRCBZRCDO-UHFFFAOYSA-N 1 3 295.496 3.314 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)CN(C)C ZINC000336732734 375925536 /nfs/dbraw/zinc/92/55/36/375925536.db2.gz ZTVWKEXNPQLZCE-RYUDHWBXSA-N 1 3 254.805 3.188 20 0 CGADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H]1CCC=CO1 ZINC000194551649 376018002 /nfs/dbraw/zinc/01/80/02/376018002.db2.gz CYDUURCPZAVSRW-GOSISDBHSA-N 1 3 288.435 3.309 20 0 CGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H]1CCC=CO1 ZINC000194551649 376018005 /nfs/dbraw/zinc/01/80/05/376018005.db2.gz CYDUURCPZAVSRW-GOSISDBHSA-N 1 3 288.435 3.309 20 0 CGADHO CC[C@@H](C)C[N@H+](CC)Cc1ccc2c(c1)CNCC2 ZINC000211974036 376137449 /nfs/dbraw/zinc/13/74/49/376137449.db2.gz VCQDNIHNHJCVQC-CQSZACIVSA-N 1 3 260.425 3.200 20 0 CGADHO CC[C@@H](C)C[N@@H+](CC)Cc1ccc2c(c1)CNCC2 ZINC000211974036 376137459 /nfs/dbraw/zinc/13/74/59/376137459.db2.gz VCQDNIHNHJCVQC-CQSZACIVSA-N 1 3 260.425 3.200 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C[C@H]1C ZINC000539510061 376316023 /nfs/dbraw/zinc/31/60/23/376316023.db2.gz WMQFVGUQOADYHW-PVAVHDDUSA-N 1 3 264.457 3.299 20 0 CGADHO Cc1ccc(C)c([C@H](C)N(C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000226438823 376360430 /nfs/dbraw/zinc/36/04/30/376360430.db2.gz WYJQVWFXOYHXAC-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@@H]2CCCNC2)c1 ZINC000226438823 376360440 /nfs/dbraw/zinc/36/04/40/376360440.db2.gz WYJQVWFXOYHXAC-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCCNC2)c1 ZINC000226438823 376360444 /nfs/dbraw/zinc/36/04/44/376360444.db2.gz WYJQVWFXOYHXAC-JKSUJKDBSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000540605694 376386003 /nfs/dbraw/zinc/38/60/03/376386003.db2.gz JBVKPBVODWKJTM-IAGOWNOFSA-N 1 3 264.457 3.443 20 0 CGADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(C4CC4)c3)C[C@@H]21 ZINC000230126453 376485218 /nfs/dbraw/zinc/48/52/18/376485218.db2.gz UVDGKGYPHOEWJS-OKZBNKHCSA-N 1 3 270.420 3.123 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(C(F)F)cc3)C[C@@H]21 ZINC000230126129 376485499 /nfs/dbraw/zinc/48/54/99/376485499.db2.gz AKRZLXYDSFENEK-QLFBSQMISA-N 1 3 280.362 3.183 20 0 CGADHO c1ccc(SCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069863 376661334 /nfs/dbraw/zinc/66/13/34/376661334.db2.gz YAXQOGONAVRDMZ-HOTGVXAUSA-N 1 3 290.476 3.385 20 0 CGADHO c1ccc(SCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069863 376661339 /nfs/dbraw/zinc/66/13/39/376661339.db2.gz YAXQOGONAVRDMZ-HOTGVXAUSA-N 1 3 290.476 3.385 20 0 CGADHO c1ccc2c(c1)CCC[C@@H]2N1CCN(c2cc[nH+]cc2)CC1 ZINC000151344344 542101416 /nfs/dbraw/zinc/10/14/16/542101416.db2.gz IHPXFRXDAGFGBC-IBGZPJMESA-N 1 3 293.414 3.281 20 0 CGADHO CCCC[C@H](CC)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544894825 376768509 /nfs/dbraw/zinc/76/85/09/376768509.db2.gz WUKUKFMKLWNYFH-XWTMOSNGSA-N 1 3 296.499 3.386 20 0 CGADHO CCC[NH+]1CCC(NCCc2csc(C(C)C)n2)CC1 ZINC000156942740 542130892 /nfs/dbraw/zinc/13/08/92/542130892.db2.gz JBMZURBIOWQUQS-UHFFFAOYSA-N 1 3 295.496 3.273 20 0 CGADHO Cc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000245556121 376853989 /nfs/dbraw/zinc/85/39/89/376853989.db2.gz UEMUIDJGZGYYAS-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO Cc1cccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000245556121 376853993 /nfs/dbraw/zinc/85/39/93/376853993.db2.gz UEMUIDJGZGYYAS-RBUKOAKNSA-N 1 3 286.463 3.344 20 0 CGADHO C[N@@H+]1CCC[C@@H](CNCc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124809 376971572 /nfs/dbraw/zinc/97/15/72/376971572.db2.gz WFMDPNHQWRLGKT-HOCLYGCPSA-N 1 3 289.448 3.249 20 0 CGADHO C[N@H+]1CCC[C@@H](CNCc2cc[nH]c2)[C@H]1c1cccs1 ZINC000246124809 376971582 /nfs/dbraw/zinc/97/15/82/376971582.db2.gz WFMDPNHQWRLGKT-HOCLYGCPSA-N 1 3 289.448 3.249 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CC)C1 ZINC000245779641 376905425 /nfs/dbraw/zinc/90/54/25/376905425.db2.gz YPVCMIRXCBYSEX-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C12CCC2 ZINC000245827482 376915893 /nfs/dbraw/zinc/91/58/93/376915893.db2.gz BCAHVRPBQVXERK-IXDOHACOSA-N 1 3 294.483 3.044 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H](C)[C@@]1(C)CCCO1 ZINC000340229669 376955742 /nfs/dbraw/zinc/95/57/42/376955742.db2.gz ZLSZQCLLWBSEIK-JKSUJKDBSA-N 1 3 270.461 3.046 20 0 CGADHO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000246280738 377004127 /nfs/dbraw/zinc/00/41/27/377004127.db2.gz AIOVGIMULXIXBF-CWRNSKLLSA-N 1 3 276.424 3.219 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2)C1 ZINC000558419303 377005978 /nfs/dbraw/zinc/00/59/78/377005978.db2.gz SKXDFYSKXAPEEP-WBVHZDCISA-N 1 3 292.442 3.467 20 0 CGADHO CC(C)[NH+](CCCN[C@H](C)[C@@]1(C)CCCO1)C(C)C ZINC000340517639 377115484 /nfs/dbraw/zinc/11/54/84/377115484.db2.gz FBOCRKBYGGDLCH-HZPDHXFCSA-N 1 3 270.461 3.043 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000246596277 377058439 /nfs/dbraw/zinc/05/84/39/377058439.db2.gz MPBFXTPFERWBAP-IRXDYDNUSA-N 1 3 297.446 3.235 20 0 CGADHO Cc1cccc2[nH]cc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000246596277 377058447 /nfs/dbraw/zinc/05/84/47/377058447.db2.gz MPBFXTPFERWBAP-IRXDYDNUSA-N 1 3 297.446 3.235 20 0 CGADHO C[N@@H+]1CC[C@H](NCCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804399 377099056 /nfs/dbraw/zinc/09/90/56/377099056.db2.gz MMWGZYXSPCWOIW-DLBZAZTESA-N 1 3 290.451 3.227 20 0 CGADHO C[N@H+]1CC[C@H](NCCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804399 377099063 /nfs/dbraw/zinc/09/90/63/377099063.db2.gz MMWGZYXSPCWOIW-DLBZAZTESA-N 1 3 290.451 3.227 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(F)c1 ZINC000247044768 377147055 /nfs/dbraw/zinc/14/70/55/377147055.db2.gz LWCZMMHXEYBBES-VBNZEHGJSA-N 1 3 264.388 3.349 20 0 CGADHO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000247154117 377169861 /nfs/dbraw/zinc/16/98/61/377169861.db2.gz RSAOBSSNCRNSLX-CWRNSKLLSA-N 1 3 276.424 3.219 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccoc1 ZINC000247230614 377179481 /nfs/dbraw/zinc/17/94/81/377179481.db2.gz YGCYMBLFNNMFDW-HUUCEWRRSA-N 1 3 264.413 3.442 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccoc1 ZINC000247230614 377179491 /nfs/dbraw/zinc/17/94/91/377179491.db2.gz YGCYMBLFNNMFDW-HUUCEWRRSA-N 1 3 264.413 3.442 20 0 CGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000247979450 377252928 /nfs/dbraw/zinc/25/29/28/377252928.db2.gz IFOAXUCXAQFKGN-CWRNSKLLSA-N 1 3 260.425 3.437 20 0 CGADHO Cc1cccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000247979450 377252933 /nfs/dbraw/zinc/25/29/33/377252933.db2.gz IFOAXUCXAQFKGN-CWRNSKLLSA-N 1 3 260.425 3.437 20 0 CGADHO C1=C(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248689908 377381991 /nfs/dbraw/zinc/38/19/91/377381991.db2.gz AOUNWJNLVUGXDI-IRXDYDNUSA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248689908 377382004 /nfs/dbraw/zinc/38/20/04/377382004.db2.gz AOUNWJNLVUGXDI-IRXDYDNUSA-N 1 3 262.441 3.483 20 0 CGADHO C1=C(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)CCCCC1 ZINC000248689908 377382016 /nfs/dbraw/zinc/38/20/16/377382016.db2.gz AOUNWJNLVUGXDI-IRXDYDNUSA-N 1 3 262.441 3.483 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000249098961 377462891 /nfs/dbraw/zinc/46/28/91/377462891.db2.gz PCTGEVFIESGASP-CABCVRRESA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccccc1OC ZINC000037644435 249002254 /nfs/dbraw/zinc/00/22/54/249002254.db2.gz KTSHPIOPLUFBKO-HOCLYGCPSA-N 1 3 276.424 3.078 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Sc1ccccc1 ZINC000166729632 542176152 /nfs/dbraw/zinc/17/61/52/542176152.db2.gz ZKQTXPHIKHYLST-OWCLPIDISA-N 1 3 290.476 3.384 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Sc1ccccc1 ZINC000166729632 542176156 /nfs/dbraw/zinc/17/61/56/542176156.db2.gz ZKQTXPHIKHYLST-OWCLPIDISA-N 1 3 290.476 3.384 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CCSCC1 ZINC000250081501 377550097 /nfs/dbraw/zinc/55/00/97/377550097.db2.gz PCZSCVWVMAQLRO-BZUAXINKSA-N 1 3 298.540 3.476 20 0 CGADHO c1ccc([C@@H](CC2CC2)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000514854730 249191349 /nfs/dbraw/zinc/19/13/49/249191349.db2.gz GQQPSRFFCDALSD-DOTOQJQBSA-N 1 3 258.409 3.117 20 0 CGADHO c1ccc([C@@H](CC2CC2)[NH2+]C[C@H]2CCCNC2)cc1 ZINC000514854730 249191351 /nfs/dbraw/zinc/19/13/51/249191351.db2.gz GQQPSRFFCDALSD-DOTOQJQBSA-N 1 3 258.409 3.117 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC2CCCC2)C1 ZINC000516685567 249241518 /nfs/dbraw/zinc/24/15/18/249241518.db2.gz ANBVNOQKIWPTLR-GDBMZVCRSA-N 1 3 252.446 3.275 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000251481366 377583946 /nfs/dbraw/zinc/58/39/46/377583946.db2.gz ORCNUOQVAHXNFH-JEVOJNTISA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccc(C2CC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000251481366 377583954 /nfs/dbraw/zinc/58/39/54/377583954.db2.gz ORCNUOQVAHXNFH-JEVOJNTISA-N 1 3 284.447 3.457 20 0 CGADHO Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251171272 377575674 /nfs/dbraw/zinc/57/56/74/377575674.db2.gz PKKWOFREDYOTMS-GVDBMIGSSA-N 1 3 258.409 3.005 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@H]1C ZINC000251946477 377606225 /nfs/dbraw/zinc/60/62/25/377606225.db2.gz WKQHSYRVVUZZFO-JKJDWNRSSA-N 1 3 250.430 3.028 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000564252114 322024422 /nfs/dbraw/zinc/02/44/22/322024422.db2.gz NSXJKSHDWVPMGW-SWLSCSKDSA-N 1 3 266.454 3.083 20 0 CGADHO CCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000564252114 322024424 /nfs/dbraw/zinc/02/44/24/322024424.db2.gz NSXJKSHDWVPMGW-SWLSCSKDSA-N 1 3 266.454 3.083 20 0 CGADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000252513572 377634867 /nfs/dbraw/zinc/63/48/67/377634867.db2.gz YSOXSKPVBMOHDK-QXSJWSMHSA-N 1 3 250.430 3.172 20 0 CGADHO Cc1ccc(CN(C)CC2CC[NH+](C)CC2)c(Cl)c1 ZINC000564528275 322033513 /nfs/dbraw/zinc/03/35/13/322033513.db2.gz PBUXWFCDEOMHET-UHFFFAOYSA-N 1 3 280.843 3.422 20 0 CGADHO Cc1cccc(C)c1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000342701677 377743165 /nfs/dbraw/zinc/74/31/65/377743165.db2.gz FSKOPVVHZFCDAM-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1cccc(C)c1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342701677 377743168 /nfs/dbraw/zinc/74/31/68/377743168.db2.gz FSKOPVVHZFCDAM-MRXNPFEDSA-N 1 3 260.425 3.077 20 0 CGADHO Cc1ccc(C)c([C@H](C)N(C)C[C@H]2CCC[NH2+]C2)c1 ZINC000261574303 377820980 /nfs/dbraw/zinc/82/09/80/377820980.db2.gz WYJQVWFXOYHXAC-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@H](C)[N@H+](C)C[C@H]2CCCNC2)c1 ZINC000261574303 377820985 /nfs/dbraw/zinc/82/09/85/377820985.db2.gz WYJQVWFXOYHXAC-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCCNC2)c1 ZINC000261574303 377820988 /nfs/dbraw/zinc/82/09/88/377820988.db2.gz WYJQVWFXOYHXAC-HOTGVXAUSA-N 1 3 260.425 3.296 20 0 CGADHO CC(C)[C@@](C)(C[NH3+])NCc1cccc2ccccc21 ZINC000261591975 377823070 /nfs/dbraw/zinc/82/30/70/377823070.db2.gz MGRUSDBLZYDHKE-QGZVFWFLSA-N 1 3 256.393 3.303 20 0 CGADHO CCC[N@H+](Cc1cnc2ccccc2c1)C1CCNCC1 ZINC000261598628 377826930 /nfs/dbraw/zinc/82/69/30/377826930.db2.gz RAYXGTRXHCZFIN-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO CCC[N@@H+](Cc1cnc2ccccc2c1)C1CCNCC1 ZINC000261598628 377826936 /nfs/dbraw/zinc/82/69/36/377826936.db2.gz RAYXGTRXHCZFIN-UHFFFAOYSA-N 1 3 283.419 3.199 20 0 CGADHO c1ccc([C@H]2CCCCN2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261933400 377869650 /nfs/dbraw/zinc/86/96/50/377869650.db2.gz LVCXTXXQTONJQT-NVXWUHKLSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000261933400 377869652 /nfs/dbraw/zinc/86/96/52/377869652.db2.gz LVCXTXXQTONJQT-NVXWUHKLSA-N 1 3 258.409 3.213 20 0 CGADHO c1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000261933400 377869655 /nfs/dbraw/zinc/86/96/55/377869655.db2.gz LVCXTXXQTONJQT-NVXWUHKLSA-N 1 3 258.409 3.213 20 0 CGADHO C[C@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924035 377869767 /nfs/dbraw/zinc/86/97/67/377869767.db2.gz KTZZAXFWYWUKHX-CZUORRHYSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@H](C[N@H+](C)[C@@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924035 377869772 /nfs/dbraw/zinc/86/97/72/377869772.db2.gz KTZZAXFWYWUKHX-CZUORRHYSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@H](C[N@@H+](C)[C@@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924035 377869776 /nfs/dbraw/zinc/86/97/76/377869776.db2.gz KTZZAXFWYWUKHX-CZUORRHYSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@]1(CN2CCC[C@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262146773 377890053 /nfs/dbraw/zinc/89/00/53/377890053.db2.gz ZPGLVIPAUQZZKP-ROUUACIJSA-N 1 3 272.436 3.040 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000578206351 378046873 /nfs/dbraw/zinc/04/68/73/378046873.db2.gz PSPRMZKKKRPFAP-LVQVYYBASA-N 1 3 258.409 3.101 20 0 CGADHO Cc1ccccc1[C@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578206351 378046879 /nfs/dbraw/zinc/04/68/79/378046879.db2.gz PSPRMZKKKRPFAP-LVQVYYBASA-N 1 3 258.409 3.101 20 0 CGADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000578939642 378115842 /nfs/dbraw/zinc/11/58/42/378115842.db2.gz JCDIMJTVARTQFB-HOTGVXAUSA-N 1 3 254.462 3.379 20 0 CGADHO COCCC[NH+]1CCC(N[C@@H](C)c2sccc2C)CC1 ZINC000268814835 378118742 /nfs/dbraw/zinc/11/87/42/378118742.db2.gz FHMSCUZOGOPVQH-AWEZNQCLSA-N 1 3 296.480 3.208 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)c1ccc(Cl)cc1 ZINC000579140793 378134913 /nfs/dbraw/zinc/13/49/13/378134913.db2.gz RHYGOMDBCDTOSV-GJZGRUSLSA-N 1 3 280.843 3.477 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000579140793 378134917 /nfs/dbraw/zinc/13/49/17/378134917.db2.gz RHYGOMDBCDTOSV-GJZGRUSLSA-N 1 3 280.843 3.477 20 0 CGADHO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)COC2)CN1CCCC1 ZINC000268894119 378145715 /nfs/dbraw/zinc/14/57/15/378145715.db2.gz VJRGSSCWATUJHR-HUUCEWRRSA-N 1 3 288.435 3.099 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268893492 378145819 /nfs/dbraw/zinc/14/58/19/378145819.db2.gz DPEVYKWSXCJKOR-APWZRJJASA-N 1 3 297.446 3.168 20 0 CGADHO C[C@@H]1C[C@@H](NCc2ccn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268893492 378145823 /nfs/dbraw/zinc/14/58/23/378145823.db2.gz DPEVYKWSXCJKOR-APWZRJJASA-N 1 3 297.446 3.168 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc2c(c1)COC2 ZINC000269079146 378185931 /nfs/dbraw/zinc/18/59/31/378185931.db2.gz NZZMJSFRZVIYOE-DOPJRALCSA-N 1 3 288.435 3.240 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000579378621 378155655 /nfs/dbraw/zinc/15/56/55/378155655.db2.gz SDKBDGMXXKGDAA-KRWDZBQOSA-N 1 3 292.442 3.422 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000579378621 378155659 /nfs/dbraw/zinc/15/56/59/378155659.db2.gz SDKBDGMXXKGDAA-KRWDZBQOSA-N 1 3 292.442 3.422 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582214901 378292894 /nfs/dbraw/zinc/29/28/94/378292894.db2.gz MIGZCESGBQOZAA-HNNXBMFYSA-N 1 3 295.430 3.170 20 0 CGADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000582214901 378292903 /nfs/dbraw/zinc/29/29/03/378292903.db2.gz MIGZCESGBQOZAA-HNNXBMFYSA-N 1 3 295.430 3.170 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000356694352 284691646 /nfs/dbraw/zinc/69/16/46/284691646.db2.gz JUDYZTJWDRJLFO-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1cc(C[N@@H+]2CC3CCC2(CN)CC3)c(C)s1 ZINC000582430833 378313694 /nfs/dbraw/zinc/31/36/94/378313694.db2.gz IXLYUEJFKKXRCD-UHFFFAOYSA-N 1 3 264.438 3.068 20 0 CGADHO Cc1cc(C[N@H+]2CC3CCC2(CN)CC3)c(C)s1 ZINC000582430833 378313698 /nfs/dbraw/zinc/31/36/98/378313698.db2.gz IXLYUEJFKKXRCD-UHFFFAOYSA-N 1 3 264.438 3.068 20 0 CGADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000583779810 378345771 /nfs/dbraw/zinc/34/57/71/378345771.db2.gz KWLDAKWHNSDSIG-QGZVFWFLSA-N 1 3 290.426 3.298 20 0 CGADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000583779810 378345778 /nfs/dbraw/zinc/34/57/78/378345778.db2.gz KWLDAKWHNSDSIG-QGZVFWFLSA-N 1 3 290.426 3.298 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH+]2CCC(OCCN(C)C)CC2)C1 ZINC000346218484 378510389 /nfs/dbraw/zinc/51/03/89/378510389.db2.gz MKDUIPJSQJVGAB-SJORKVTESA-N 1 3 296.499 3.245 20 0 CGADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000346458391 378583859 /nfs/dbraw/zinc/58/38/59/378583859.db2.gz LUOOWFAKOJTIBJ-INIZCTEOSA-N 1 3 290.451 3.295 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000346375624 378558770 /nfs/dbraw/zinc/55/87/70/378558770.db2.gz ZFSOKVCLSJRCQU-RYRKJORJSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCOC2)CC1 ZINC000346375624 378558776 /nfs/dbraw/zinc/55/87/76/378558776.db2.gz ZFSOKVCLSJRCQU-RYRKJORJSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000346375618 378558797 /nfs/dbraw/zinc/55/87/97/378558797.db2.gz ZFSOKVCLSJRCQU-JFIYKMOQSA-N 1 3 294.483 3.046 20 0 CGADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@H]2CCOC2)CC1 ZINC000346375618 378558802 /nfs/dbraw/zinc/55/88/02/378558802.db2.gz ZFSOKVCLSJRCQU-JFIYKMOQSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CCCO2)c1 ZINC000346484250 378592056 /nfs/dbraw/zinc/59/20/56/378592056.db2.gz MVRVXEHGNYNWCO-CRAIPNDOSA-N 1 3 290.451 3.184 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CCCO2)c1 ZINC000346484250 378592068 /nfs/dbraw/zinc/59/20/68/378592068.db2.gz MVRVXEHGNYNWCO-CRAIPNDOSA-N 1 3 290.451 3.184 20 0 CGADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000346493082 378595998 /nfs/dbraw/zinc/59/59/98/378595998.db2.gz PJXWXXFTIZBXAT-MAUKXSAKSA-N 1 3 290.451 3.186 20 0 CGADHO [NH3+]CC1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000346662397 378666647 /nfs/dbraw/zinc/66/66/47/378666647.db2.gz OGZVAKJSBMMUAQ-UHFFFAOYSA-N 1 3 288.366 3.256 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000347000717 378703981 /nfs/dbraw/zinc/70/39/81/378703981.db2.gz ZVWFTIRTNGBARU-OAHLLOKOSA-N 1 3 250.430 3.032 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000347000717 378703985 /nfs/dbraw/zinc/70/39/85/378703985.db2.gz ZVWFTIRTNGBARU-OAHLLOKOSA-N 1 3 250.430 3.032 20 0 CGADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](OC)C1CC1 ZINC000638313354 378765884 /nfs/dbraw/zinc/76/58/84/378765884.db2.gz ULWRVZFOWALNQG-SFHVURJKSA-N 1 3 290.451 3.043 20 0 CGADHO Cc1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000638371245 378782954 /nfs/dbraw/zinc/78/29/54/378782954.db2.gz PAZLHPCMBOPERN-OKILXGFUSA-N 1 3 295.496 3.299 20 0 CGADHO Cc1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000638371245 378782962 /nfs/dbraw/zinc/78/29/62/378782962.db2.gz PAZLHPCMBOPERN-OKILXGFUSA-N 1 3 295.496 3.299 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346836830 218031122 /nfs/dbraw/zinc/03/11/22/218031122.db2.gz VRJZBSHRQKDIEE-RYQLBKOJSA-N 1 3 288.435 3.035 20 0 CGADHO C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)CN1CCCC1 ZINC000348242151 378858509 /nfs/dbraw/zinc/85/85/09/378858509.db2.gz KITRBVJXBWIFLQ-KBAYOESNSA-N 1 3 272.436 3.112 20 0 CGADHO CC(C)C1(C[NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000638836404 378930174 /nfs/dbraw/zinc/93/01/74/378930174.db2.gz GJGRZDUQZGBPMA-UHFFFAOYSA-N 1 3 287.451 3.324 20 0 CGADHO CC1=C(C)C[C@@H]([C@H](C)[NH2+]CC2=CCN(C)CC2)CC1 ZINC000638839039 378931629 /nfs/dbraw/zinc/93/16/29/378931629.db2.gz VJSBUZRZAYFXNV-RDJZCZTQSA-N 1 3 262.441 3.363 20 0 CGADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)c1C ZINC000346985496 218078688 /nfs/dbraw/zinc/07/86/88/218078688.db2.gz OTPDVJKHUJWYGX-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCCNC2)c1C ZINC000346985496 218078691 /nfs/dbraw/zinc/07/86/91/218078691.db2.gz OTPDVJKHUJWYGX-FUHWJXTLSA-N 1 3 272.436 3.440 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969458 378961603 /nfs/dbraw/zinc/96/16/03/378961603.db2.gz HFLVKODYCHPHQD-JLNYLFASSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969458 378961606 /nfs/dbraw/zinc/96/16/06/378961606.db2.gz HFLVKODYCHPHQD-JLNYLFASSA-N 1 3 286.410 3.273 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CC1(F)F ZINC000638969458 378961612 /nfs/dbraw/zinc/96/16/12/378961612.db2.gz HFLVKODYCHPHQD-JLNYLFASSA-N 1 3 286.410 3.273 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(Cl)c(C)c2)CC1 ZINC000347229415 218162199 /nfs/dbraw/zinc/16/21/99/218162199.db2.gz XEXGJSPEUWLSHC-UHFFFAOYSA-N 1 3 280.843 3.470 20 0 CGADHO CCC[N@H+](Cc1cccc(OC(F)F)c1)C1CCNCC1 ZINC000347182070 218148655 /nfs/dbraw/zinc/14/86/55/218148655.db2.gz VVGPISIRQMCWBW-UHFFFAOYSA-N 1 3 298.377 3.252 20 0 CGADHO CCC[N@@H+](Cc1cccc(OC(F)F)c1)C1CCNCC1 ZINC000347182070 218148657 /nfs/dbraw/zinc/14/86/57/218148657.db2.gz VVGPISIRQMCWBW-UHFFFAOYSA-N 1 3 298.377 3.252 20 0 CGADHO Cc1scc(C[N@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000639106213 379030726 /nfs/dbraw/zinc/03/07/26/379030726.db2.gz XCMGGMYRTDUMHJ-HNNXBMFYSA-N 1 3 266.454 3.281 20 0 CGADHO Cc1scc(C[N@@H+]2CCC[C@H](N(C)C)CC2)c1C ZINC000639106213 379030731 /nfs/dbraw/zinc/03/07/31/379030731.db2.gz XCMGGMYRTDUMHJ-HNNXBMFYSA-N 1 3 266.454 3.281 20 0 CGADHO COc1cccc(CCC[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277116883 379074282 /nfs/dbraw/zinc/07/42/82/379074282.db2.gz HMCJCGDAGKEYSE-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO COc1cccc(CCC[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277116883 379074286 /nfs/dbraw/zinc/07/42/86/379074286.db2.gz HMCJCGDAGKEYSE-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO COc1cccc(CCCN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277116883 379074289 /nfs/dbraw/zinc/07/42/89/379074289.db2.gz HMCJCGDAGKEYSE-QGZVFWFLSA-N 1 3 290.451 3.044 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000277434434 379158242 /nfs/dbraw/zinc/15/82/42/379158242.db2.gz JSPUAJVIYCPMTN-OAHLLOKOSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000277434434 379158250 /nfs/dbraw/zinc/15/82/50/379158250.db2.gz JSPUAJVIYCPMTN-OAHLLOKOSA-N 1 3 271.408 3.084 20 0 CGADHO C[NH+](C)[C@@H]1CCCN(Cc2cccc3[nH]ccc32)CC1 ZINC000277434434 379158259 /nfs/dbraw/zinc/15/82/59/379158259.db2.gz JSPUAJVIYCPMTN-OAHLLOKOSA-N 1 3 271.408 3.084 20 0 CGADHO Cc1ccc(C[N@H+]2CCC[C@@H](N(C)C)CC2)c(C)c1 ZINC000277531458 379183320 /nfs/dbraw/zinc/18/33/20/379183320.db2.gz PWEHBSCVZPQZBC-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO Cc1ccc(C[N@@H+]2CCC[C@@H](N(C)C)CC2)c(C)c1 ZINC000277531458 379183329 /nfs/dbraw/zinc/18/33/29/379183329.db2.gz PWEHBSCVZPQZBC-QGZVFWFLSA-N 1 3 260.425 3.220 20 0 CGADHO C[NH+](C)CC1CCC(NCc2ncc(Cl)s2)CC1 ZINC000349642692 379329166 /nfs/dbraw/zinc/32/91/66/379329166.db2.gz CLPNYWWKTLVNJQ-UHFFFAOYSA-N 1 3 287.860 3.007 20 0 CGADHO CC[NH+](CC)CC1CCN(Cc2scnc2C)CC1 ZINC000350178663 379526057 /nfs/dbraw/zinc/52/60/57/379526057.db2.gz ZPSGPZMZNBYWNR-UHFFFAOYSA-N 1 3 281.469 3.005 20 0 CGADHO CO[C@@H]1CCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000377222448 379647706 /nfs/dbraw/zinc/64/77/06/379647706.db2.gz HIFRKRPWMWLNOY-XOYOTBSWSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@@H]1CCC[C@H]1[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000377222448 379647708 /nfs/dbraw/zinc/64/77/08/379647708.db2.gz HIFRKRPWMWLNOY-XOYOTBSWSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H](C[N@@H+]1CCCC12CCN(C)CC2)c1ccccc1 ZINC000377267469 379657177 /nfs/dbraw/zinc/65/71/77/379657177.db2.gz PTDGIWKWJQKCTN-INIZCTEOSA-N 1 3 272.436 3.350 20 0 CGADHO C[C@@H](C[N@H+]1CCCC12CCN(C)CC2)c1ccccc1 ZINC000377267469 379657185 /nfs/dbraw/zinc/65/71/85/379657185.db2.gz PTDGIWKWJQKCTN-INIZCTEOSA-N 1 3 272.436 3.350 20 0 CGADHO COc1cccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000352526989 379845186 /nfs/dbraw/zinc/84/51/86/379845186.db2.gz UZBHTDGSQYBNRV-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO COc1cccc(C[N@H+](CCCN)CC2CCCC2)c1 ZINC000352526989 379845187 /nfs/dbraw/zinc/84/51/87/379845187.db2.gz UZBHTDGSQYBNRV-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO COc1cccc(C[N@@H+](CCCN)CC2CCCC2)c1 ZINC000352526989 379845192 /nfs/dbraw/zinc/84/51/92/379845192.db2.gz UZBHTDGSQYBNRV-UHFFFAOYSA-N 1 3 276.424 3.036 20 0 CGADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000282121586 379858723 /nfs/dbraw/zinc/85/87/23/379858723.db2.gz JOBJRTICUDGOBY-QZTJIDSGSA-N 1 3 290.451 3.043 20 0 CGADHO CCC(CC)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000409445266 380031119 /nfs/dbraw/zinc/03/11/19/380031119.db2.gz JSXMJOFBUASYOX-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CCC(CC)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000409445266 380031126 /nfs/dbraw/zinc/03/11/26/380031126.db2.gz JSXMJOFBUASYOX-INIZCTEOSA-N 1 3 252.446 3.086 20 0 CGADHO CSc1ccc(CNC2CCC(C[NH+](C)C)CC2)o1 ZINC000641741227 380071162 /nfs/dbraw/zinc/07/11/62/380071162.db2.gz DXYOIAVVVWGYLD-UHFFFAOYSA-N 1 3 282.453 3.212 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cc3ccccc3s2)CC[N@@H+]1C ZINC000268180674 190384281 /nfs/dbraw/zinc/38/42/81/190384281.db2.gz IQKBSYNKXLMKDI-OCCSQVGLSA-N 1 3 274.433 3.474 20 0 CGADHO C[C@@H]1C[C@@H](NCc2cc3ccccc3s2)CC[N@H+]1C ZINC000268180674 190384282 /nfs/dbraw/zinc/38/42/82/190384282.db2.gz IQKBSYNKXLMKDI-OCCSQVGLSA-N 1 3 274.433 3.474 20 0 CGADHO Cc1ccccc1C[C@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000643522237 380337073 /nfs/dbraw/zinc/33/70/73/380337073.db2.gz KIGAWJHRFIRCAO-ROUUACIJSA-N 1 3 272.436 3.048 20 0 CGADHO CC(C)NCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000643508438 380331898 /nfs/dbraw/zinc/33/18/98/380331898.db2.gz JNGHFQWMTTXMAT-LBPRGKRZSA-N 1 3 262.388 3.178 20 0 CGADHO CC[N@H+](Cc1ccc(OCCN(C)C)cc1)CC(C)(C)C ZINC000643355401 380293600 /nfs/dbraw/zinc/29/36/00/380293600.db2.gz BVPXDZGHFDLYRX-UHFFFAOYSA-N 1 3 292.467 3.495 20 0 CGADHO CC[N@@H+](Cc1ccc(OCCN(C)C)cc1)CC(C)(C)C ZINC000643355401 380293605 /nfs/dbraw/zinc/29/36/05/380293605.db2.gz BVPXDZGHFDLYRX-UHFFFAOYSA-N 1 3 292.467 3.495 20 0 CGADHO CCc1ccc([C@@H](CC)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521439 380335409 /nfs/dbraw/zinc/33/54/09/380335409.db2.gz IDSPSMXMXFEBBX-IAGOWNOFSA-N 1 3 260.425 3.432 20 0 CGADHO c1ccc([C@H](CC2CC2)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521990 380337511 /nfs/dbraw/zinc/33/75/11/380337511.db2.gz GEAJQOUCJMCZBC-SJORKVTESA-N 1 3 258.409 3.260 20 0 CGADHO c1cc(C[NH2+][C@@H]2CCNC3(CCC3)C2)cc(C2CC2)c1 ZINC000643427101 380305392 /nfs/dbraw/zinc/30/53/92/380305392.db2.gz SEJJPAPRESKCLM-QGZVFWFLSA-N 1 3 270.420 3.328 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000643458307 380310158 /nfs/dbraw/zinc/31/01/58/380310158.db2.gz HJVWOFJZCIIVHK-DLBZAZTESA-N 1 3 260.425 3.116 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1cccc(Br)c1 ZINC000643469268 380315893 /nfs/dbraw/zinc/31/58/93/380315893.db2.gz FSTJYJTUTYBJTH-NWDGAFQWSA-N 1 3 299.256 3.097 20 0 CGADHO C[C@H](C[C@H](C)[NH3+])NCCCc1cccc(Br)c1 ZINC000643469268 380315902 /nfs/dbraw/zinc/31/59/02/380315902.db2.gz FSTJYJTUTYBJTH-NWDGAFQWSA-N 1 3 299.256 3.097 20 0 CGADHO Cc1ccccc1CC(C)(C)NC[C@@H]([NH3+])CC(C)C ZINC000414704823 380382108 /nfs/dbraw/zinc/38/21/08/380382108.db2.gz JTSXCNSTBIHQDF-INIZCTEOSA-N 1 3 262.441 3.279 20 0 CGADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)c2sccc21 ZINC000643522535 380339210 /nfs/dbraw/zinc/33/92/10/380339210.db2.gz OTSOTIWHIWIPRR-BZPMIXESSA-N 1 3 264.438 3.418 20 0 CGADHO C[C@H](N)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000643529110 380347048 /nfs/dbraw/zinc/34/70/48/380347048.db2.gz VIFBWBINBCOMBO-MAUKXSAKSA-N 1 3 268.404 3.297 20 0 CGADHO CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534214 380349960 /nfs/dbraw/zinc/34/99/60/380349960.db2.gz OJIFQDCJGNSTQP-LSDHHAIUSA-N 1 3 280.362 3.148 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1ccccc1 ZINC000643545686 380357624 /nfs/dbraw/zinc/35/76/24/380357624.db2.gz AKXZXBYWDAKEJI-CVEARBPZSA-N 1 3 258.409 3.402 20 0 CGADHO c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546180 380360005 /nfs/dbraw/zinc/36/00/05/380360005.db2.gz JZHYCNPONOSRTF-OCCSQVGLSA-N 1 3 276.449 3.390 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547164 380360984 /nfs/dbraw/zinc/36/09/84/380360984.db2.gz AJXYMHWOFPMAIF-XUWVNRHRSA-N 1 3 264.457 3.466 20 0 CGADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643548117 380363138 /nfs/dbraw/zinc/36/31/38/380363138.db2.gz MQZOLZONCSMNSN-UAGQMJEPSA-N 1 3 288.435 3.027 20 0 CGADHO C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414815017 380425409 /nfs/dbraw/zinc/42/54/09/380425409.db2.gz ZTLJOOWDBKKXDW-FRFSOERESA-N 1 3 278.415 3.254 20 0 CGADHO Cc1cc(F)ccc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414813905 380425795 /nfs/dbraw/zinc/42/57/95/380425795.db2.gz USJVJQKDUHEYEG-ZDUSSCGKSA-N 1 3 272.367 3.444 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCNC1 ZINC000414823804 380434589 /nfs/dbraw/zinc/43/45/89/380434589.db2.gz DWZWKDBJTFIJMD-ZWKOTPCHSA-N 1 3 274.452 3.377 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)C[C@@H]1C ZINC000414825811 380436278 /nfs/dbraw/zinc/43/62/78/380436278.db2.gz HTNACFXIQUHJNV-VGWMRTNUSA-N 1 3 252.446 3.036 20 0 CGADHO CCC[C@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000414834034 380441696 /nfs/dbraw/zinc/44/16/96/380441696.db2.gz SJINIAAQHLKHBH-DOTOQJQBSA-N 1 3 260.425 3.160 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414843032 380449751 /nfs/dbraw/zinc/44/97/51/380449751.db2.gz PLIIHKMNKYTTKO-VBNZEHGJSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414843032 380449753 /nfs/dbraw/zinc/44/97/53/380449753.db2.gz PLIIHKMNKYTTKO-VBNZEHGJSA-N 1 3 280.843 3.421 20 0 CGADHO CC(C)[C@@H]([NH3+])CNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414787866 380404818 /nfs/dbraw/zinc/40/48/18/380404818.db2.gz CVKUOWICHQDTFX-FZMZJTMJSA-N 1 3 288.357 3.382 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCNC2CCCCCC2)CCO1 ZINC000414802487 380414730 /nfs/dbraw/zinc/41/47/30/380414730.db2.gz IBODVRWPCAJEIA-IRXDYDNUSA-N 1 3 282.472 3.092 20 0 CGADHO CCC(N)(CC)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414803991 380416673 /nfs/dbraw/zinc/41/66/73/380416673.db2.gz DNBSVMWYOADLNI-UHFFFAOYSA-N 1 3 283.419 3.356 20 0 CGADHO C[C@H](CNCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414806945 380420477 /nfs/dbraw/zinc/42/04/77/380420477.db2.gz QTIFRAQEDNDYEV-SNVBAGLBSA-N 1 3 274.330 3.136 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000354567302 380487148 /nfs/dbraw/zinc/48/71/48/380487148.db2.gz MKLPYDKOTIQPBP-ZWKOTPCHSA-N 1 3 290.451 3.043 20 0 CGADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(CN(C)C)c1 ZINC000354567298 380487255 /nfs/dbraw/zinc/48/72/55/380487255.db2.gz MKLPYDKOTIQPBP-MSOLQXFVSA-N 1 3 290.451 3.043 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414912949 380487959 /nfs/dbraw/zinc/48/79/59/380487959.db2.gz ZBYCJUNVBLLWJC-IKGGRYGDSA-N 1 3 258.409 3.054 20 0 CGADHO CC(C)COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414933411 380494935 /nfs/dbraw/zinc/49/49/35/380494935.db2.gz WWDCXBXGEQBUBO-HOTGVXAUSA-N 1 3 276.424 3.081 20 0 CGADHO CC[C@H]([NH3+])CNC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414984233 380503942 /nfs/dbraw/zinc/50/39/42/380503942.db2.gz FZZGDTYTMSCBBX-MFKMUULPSA-N 1 3 274.330 3.136 20 0 CGADHO Cc1cc(C)cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415040578 380505033 /nfs/dbraw/zinc/50/50/33/380505033.db2.gz KGQQIHGDVZIGAT-MSOLQXFVSA-N 1 3 272.436 3.267 20 0 CGADHO C[C@H](CCc1ccccc1)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414861279 380461249 /nfs/dbraw/zinc/46/12/49/380461249.db2.gz WJOUBWNPUUUSEQ-JFIYKMOQSA-N 1 3 274.452 3.233 20 0 CGADHO C[NH2+]CCCN[C@H](C)Cc1c(Cl)cccc1Cl ZINC000414861375 380461531 /nfs/dbraw/zinc/46/15/31/380461531.db2.gz SCYGQSLHJCUAOC-SNVBAGLBSA-N 1 3 275.223 3.124 20 0 CGADHO CNCCC[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000414861375 380461535 /nfs/dbraw/zinc/46/15/35/380461535.db2.gz SCYGQSLHJCUAOC-SNVBAGLBSA-N 1 3 275.223 3.124 20 0 CGADHO C[C@@H](CCc1ccc(Cl)s1)NCC1([NH3+])CCC1 ZINC000414870192 380467245 /nfs/dbraw/zinc/46/72/45/380467245.db2.gz BKKYNGRIUZUAJM-JTQLQIEISA-N 1 3 272.845 3.194 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(F)c(-c2cccs2)c1 ZINC000414874758 380470416 /nfs/dbraw/zinc/47/04/16/380470416.db2.gz JADJNDYRCLABFE-LLVKDONJSA-N 1 3 278.396 3.239 20 0 CGADHO C[C@@H](C[NH3+])CNCc1cccc(Oc2ccccc2)c1 ZINC000414880520 380472251 /nfs/dbraw/zinc/47/22/51/380472251.db2.gz QWPDMCFUIDKYOZ-AWEZNQCLSA-N 1 3 270.376 3.163 20 0 CGADHO COc1ccccc1-c1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000414888221 380476499 /nfs/dbraw/zinc/47/64/99/380476499.db2.gz DZRKKFUBJLHUSF-CQSZACIVSA-N 1 3 284.403 3.189 20 0 CGADHO C[C@H](CCN)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000414895190 380477289 /nfs/dbraw/zinc/47/72/89/380477289.db2.gz MUBIKPLKQQHRKQ-SNVBAGLBSA-N 1 3 275.223 3.253 20 0 CGADHO C[C@H](CC[NH3+])NCCCc1c(Cl)cccc1Cl ZINC000414895190 380477293 /nfs/dbraw/zinc/47/72/93/380477293.db2.gz MUBIKPLKQQHRKQ-SNVBAGLBSA-N 1 3 275.223 3.253 20 0 CGADHO [NH3+]CCCCNCc1cc(C(F)(F)F)ccc1Cl ZINC000414902498 380481480 /nfs/dbraw/zinc/48/14/80/380481480.db2.gz JTMZVXQBTQVWIL-UHFFFAOYSA-N 1 3 280.721 3.187 20 0 CGADHO C[C@@H](CC(C)(C)c1ccccc1)NCC[C@H]1CCC[NH2+]1 ZINC000414902744 380482079 /nfs/dbraw/zinc/48/20/79/380482079.db2.gz IFWUPRZXAFHJQN-DOTOQJQBSA-N 1 3 274.452 3.475 20 0 CGADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CCCNC1 ZINC000414903448 380482394 /nfs/dbraw/zinc/48/23/94/380482394.db2.gz IKLAGNKQRPUYJI-SQNIBIBYSA-N 1 3 290.426 3.441 20 0 CGADHO FC(F)C1(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000355146931 380598814 /nfs/dbraw/zinc/59/88/14/380598814.db2.gz CFWWTOPVTRTRCN-UHFFFAOYSA-N 1 3 286.410 3.418 20 0 CGADHO FC(F)C1(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000355146931 380598818 /nfs/dbraw/zinc/59/88/18/380598818.db2.gz CFWWTOPVTRTRCN-UHFFFAOYSA-N 1 3 286.410 3.418 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000355649943 380737268 /nfs/dbraw/zinc/73/72/68/380737268.db2.gz HNLJCBOBPDPLRV-SWLSCSKDSA-N 1 3 266.816 3.078 20 0 CGADHO Cc1cc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000355649943 380737272 /nfs/dbraw/zinc/73/72/72/380737272.db2.gz HNLJCBOBPDPLRV-SWLSCSKDSA-N 1 3 266.816 3.078 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000359994334 381402839 /nfs/dbraw/zinc/40/28/39/381402839.db2.gz MOYDCVGNYKLMSH-TWMKSMIVSA-N 1 3 264.457 3.419 20 0 CGADHO CC1([NH2+]Cc2ccc3ccccc3c2)CCNCC1 ZINC000334844087 207173604 /nfs/dbraw/zinc/17/36/04/207173604.db2.gz SXQYZQWROVZBOE-UHFFFAOYSA-N 1 3 254.377 3.072 20 0 CGADHO CN1CCCC12CC[NH+](C[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000361349160 381711307 /nfs/dbraw/zinc/71/13/07/381711307.db2.gz RYXBUDVKWIRZCV-QZTJIDSGSA-N 1 3 284.447 3.350 20 0 CGADHO c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c2c(c1)CNCC2 ZINC000228553710 542298866 /nfs/dbraw/zinc/29/88/66/542298866.db2.gz NKZSTHQYELHOGP-RDTXWAMCSA-N 1 3 270.420 3.097 20 0 CGADHO c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c2c(c1)CNCC2 ZINC000228553710 542298869 /nfs/dbraw/zinc/29/88/69/542298869.db2.gz NKZSTHQYELHOGP-RDTXWAMCSA-N 1 3 270.420 3.097 20 0 CGADHO CSC1(CN2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000365671115 382292247 /nfs/dbraw/zinc/29/22/47/382292247.db2.gz FXYYSDZGHFZGAE-OAHLLOKOSA-N 1 3 282.497 3.222 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000245872709 542324281 /nfs/dbraw/zinc/32/42/81/542324281.db2.gz ADDPCEMPKFULOD-ZIAGYGMSSA-N 1 3 278.444 3.023 20 0 CGADHO Cc1n[nH]cc1[C@@H](C)NCCCC[N@H+]1CCCC[C@H]1C ZINC000245872709 542324286 /nfs/dbraw/zinc/32/42/86/542324286.db2.gz ADDPCEMPKFULOD-ZIAGYGMSSA-N 1 3 278.444 3.023 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000366964247 382328061 /nfs/dbraw/zinc/32/80/61/382328061.db2.gz SPLCCFLUZJYVHD-KURKYZTESA-N 1 3 296.499 3.124 20 0 CGADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000366964247 382328066 /nfs/dbraw/zinc/32/80/66/382328066.db2.gz SPLCCFLUZJYVHD-KURKYZTESA-N 1 3 296.499 3.124 20 0 CGADHO CSc1ccc(C[NH2+]CC(C)(C)CN(C)C)s1 ZINC000356113597 532956493 /nfs/dbraw/zinc/95/64/93/532956493.db2.gz QEZKSVITQZMDSE-UHFFFAOYSA-N 1 3 272.483 3.147 20 0 CGADHO CCN(Cc1ccc(C)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000414720766 285098540 /nfs/dbraw/zinc/09/85/40/285098540.db2.gz ZTYYXAJQEHCHPV-QGZVFWFLSA-N 1 3 260.425 3.267 20 0 CGADHO CSc1ccccc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423360563 533060423 /nfs/dbraw/zinc/06/04/23/533060423.db2.gz FTFIIBLVZZGPJL-YNEHKIRRSA-N 1 3 264.438 3.329 20 0 CGADHO CCN(Cc1cccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000435386579 285106760 /nfs/dbraw/zinc/10/67/60/285106760.db2.gz UMUNABHHFBUEHT-KRWDZBQOSA-N 1 3 283.419 3.199 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753507 220305160 /nfs/dbraw/zinc/30/51/60/220305160.db2.gz XCJHFXYIUYFOGX-JSGCOSHPSA-N 1 3 252.427 3.053 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccsc2)C[C@@H]1C ZINC000353753507 220305165 /nfs/dbraw/zinc/30/51/65/220305165.db2.gz XCJHFXYIUYFOGX-JSGCOSHPSA-N 1 3 252.427 3.053 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CC1=Cc3ccccc3OC1)C2 ZINC000289271812 197281080 /nfs/dbraw/zinc/28/10/80/197281080.db2.gz GJLUOJFTOVMFHP-JWTNVVGKSA-N 1 3 298.430 3.019 20 0 CGADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CC1=Cc3ccccc3OC1)C2 ZINC000289271812 197281081 /nfs/dbraw/zinc/28/10/81/197281081.db2.gz GJLUOJFTOVMFHP-JWTNVVGKSA-N 1 3 298.430 3.019 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000423319182 533176187 /nfs/dbraw/zinc/17/61/87/533176187.db2.gz DAVYSDKHDCFPHI-VKJFTORMSA-N 1 3 290.451 3.167 20 0 CGADHO O[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000334197824 285309801 /nfs/dbraw/zinc/30/98/01/285309801.db2.gz LEMQHAQQKJXILH-QZTJIDSGSA-N 1 3 294.483 3.067 20 0 CGADHO O[C@@H]1CCCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000334197824 285309804 /nfs/dbraw/zinc/30/98/04/285309804.db2.gz LEMQHAQQKJXILH-QZTJIDSGSA-N 1 3 294.483 3.067 20 0 CGADHO c1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339068446 542486259 /nfs/dbraw/zinc/48/62/59/542486259.db2.gz QHOIXJVKBYENEN-MSOLQXFVSA-N 1 3 284.447 3.325 20 0 CGADHO c1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000339068446 542486261 /nfs/dbraw/zinc/48/62/61/542486261.db2.gz QHOIXJVKBYENEN-MSOLQXFVSA-N 1 3 284.447 3.325 20 0 CGADHO Cn1cccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769367 224599707 /nfs/dbraw/zinc/59/97/07/224599707.db2.gz OCLSWKXXKHLHOC-UHFFFAOYSA-N 1 3 289.467 3.113 20 0 CGADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000423345208 533366271 /nfs/dbraw/zinc/36/62/71/533366271.db2.gz NTMWZNKPCUVXAK-GFCCVEGCSA-N 1 3 256.349 3.003 20 0 CGADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000423360756 533449959 /nfs/dbraw/zinc/44/99/59/533449959.db2.gz QTTMBBWIGRZYDB-CYBMUJFWSA-N 1 3 252.361 3.141 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(SCC(F)F)cc1)[C@H](C)N ZINC000423443433 533503989 /nfs/dbraw/zinc/50/39/89/533503989.db2.gz KKNCPEDIFDNLDN-AXFHLTTASA-N 1 3 288.407 3.430 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000414176058 533657784 /nfs/dbraw/zinc/65/77/84/533657784.db2.gz HJCSRQIQLKGCIZ-NWJSVONSSA-N 1 3 296.817 3.407 20 0 CGADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[N@H+]1C ZINC000414176058 533657793 /nfs/dbraw/zinc/65/77/93/533657793.db2.gz HJCSRQIQLKGCIZ-NWJSVONSSA-N 1 3 296.817 3.407 20 0 CGADHO CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389242000 542607673 /nfs/dbraw/zinc/60/76/73/542607673.db2.gz KYFLZYHCSTZMMO-WBVHZDCISA-N 1 3 298.434 3.007 20 0 CGADHO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000389242000 542607679 /nfs/dbraw/zinc/60/76/79/542607679.db2.gz KYFLZYHCSTZMMO-WBVHZDCISA-N 1 3 298.434 3.007 20 0 CGADHO Cc1cc(Cl)cc(C)c1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414931052 542641249 /nfs/dbraw/zinc/64/12/49/542641249.db2.gz UASPLEYWAOFEEJ-KBPBESRZSA-N 1 3 266.816 3.316 20 0 CGADHO C[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)CN1CCCC1 ZINC000069374100 392172847 /nfs/dbraw/zinc/17/28/47/392172847.db2.gz KHGBNHWGJAQDNH-HSBZDZAISA-N 1 3 292.389 3.429 20 0 CGADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000281989375 392268964 /nfs/dbraw/zinc/26/89/64/392268964.db2.gz CJWAJSATAXVGSC-KRWDZBQOSA-N 1 3 288.435 3.049 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877618 392349980 /nfs/dbraw/zinc/34/99/80/392349980.db2.gz QKLFMIAALWHUAX-BEFAXECRSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(-c2ccncc2)cc1 ZINC000361877618 392349984 /nfs/dbraw/zinc/34/99/84/392349984.db2.gz QKLFMIAALWHUAX-BEFAXECRSA-N 1 3 295.430 3.178 20 0 CGADHO C[C@H](CC[NH+]1CCC(CF)CC1)N1CCC(CF)CC1 ZINC000451394362 542675159 /nfs/dbraw/zinc/67/51/59/542675159.db2.gz OKRLXDYOZCAPBG-CQSZACIVSA-N 1 3 288.426 3.128 20 0 CGADHO CCC[NH+]1CCC(N(C)CCc2ccc(OC)cc2)CC1 ZINC000109786721 392375403 /nfs/dbraw/zinc/37/54/03/392375403.db2.gz BKYXWSYEIPYMSA-UHFFFAOYSA-N 1 3 290.451 3.044 20 0 CGADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000128100832 392449290 /nfs/dbraw/zinc/44/92/90/392449290.db2.gz VIDOGPMONQRURJ-QKPAOTATSA-N 1 3 250.430 3.029 20 0 CGADHO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000301712301 392597122 /nfs/dbraw/zinc/59/71/22/392597122.db2.gz LEFULFYKDNENOB-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000301712301 392597126 /nfs/dbraw/zinc/59/71/26/392597126.db2.gz LEFULFYKDNENOB-MAUKXSAKSA-N 1 3 295.430 3.464 20 0 CGADHO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)s1 ZINC000163220518 392602819 /nfs/dbraw/zinc/60/28/19/392602819.db2.gz DSTINDWHTDSNHM-YPMHNXCESA-N 1 3 281.469 3.006 20 0 CGADHO COc1ccccc1C1(N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000647329280 392672467 /nfs/dbraw/zinc/67/24/67/392672467.db2.gz KVVZZORKQZFBOI-AWEZNQCLSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@H](Cc1ccccc1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479672 392735068 /nfs/dbraw/zinc/73/50/68/392735068.db2.gz PCCXVVPGZIGKLL-QRQLOZEOSA-N 1 3 286.463 3.329 20 0 CGADHO CC[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH3+] ZINC000647498981 392742115 /nfs/dbraw/zinc/74/21/15/392742115.db2.gz WHCGYCGEOVACEM-FUHWJXTLSA-N 1 3 295.430 3.308 20 0 CGADHO CC[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH3+] ZINC000647498672 392742498 /nfs/dbraw/zinc/74/24/98/392742498.db2.gz MSOBQYGCXWPSRG-APWZRJJASA-N 1 3 295.430 3.308 20 0 CGADHO Fc1cccc(F)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542928 392760039 /nfs/dbraw/zinc/76/00/39/392760039.db2.gz DTFGWZDHOSLBAX-ZIAGYGMSSA-N 1 3 294.389 3.176 20 0 CGADHO CCC(CC)c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000647786799 392796097 /nfs/dbraw/zinc/79/60/97/392796097.db2.gz YXTYNSYWQZFWIY-RBSFLKMASA-N 1 3 291.439 3.056 20 0 CGADHO C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)CC(F)F ZINC000647800605 392803020 /nfs/dbraw/zinc/80/30/20/392803020.db2.gz HOQFVVUAIWAHFF-XDTLVQLUSA-N 1 3 254.324 3.012 20 0 CGADHO [NH3+]Cc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000647803313 392805283 /nfs/dbraw/zinc/80/52/83/392805283.db2.gz UBGXOZREICHZLX-QGZVFWFLSA-N 1 3 270.351 3.062 20 0 CGADHO CCC1CCC(N(C[C@@H]2CC[NH2+]C2)C2CC2)CC1 ZINC000647880375 392822919 /nfs/dbraw/zinc/82/29/19/392822919.db2.gz PVKOZBWPBRHANW-SHARSMKWSA-N 1 3 250.430 3.029 20 0 CGADHO CCN(CCCC1CC[NH2+]CC1)CCC(F)(F)F ZINC000647883473 392825291 /nfs/dbraw/zinc/82/52/91/392825291.db2.gz VHIYIONDMNVXEK-UHFFFAOYSA-N 1 3 266.351 3.041 20 0 CGADHO CC[C@@H](Cc1ccc(C)cc1)N(CC)C[C@H]1CC[NH2+]C1 ZINC000647889322 392826573 /nfs/dbraw/zinc/82/65/73/392826573.db2.gz GAIHOTSIHKQTSI-ROUUACIJSA-N 1 3 274.452 3.248 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@@H]2N(C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647889332 392827235 /nfs/dbraw/zinc/82/72/35/392827235.db2.gz HXYWCFRNLUMWBX-SZMVWBNQSA-N 1 3 272.436 3.172 20 0 CGADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000380835262 392905570 /nfs/dbraw/zinc/90/55/70/392905570.db2.gz LSFJHJYATKITJO-HOTGVXAUSA-N 1 3 264.457 3.419 20 0 CGADHO CCC[C@](C)(O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513208142 392853509 /nfs/dbraw/zinc/85/35/09/392853509.db2.gz NIUISFGEEFEILV-JQHSSLGASA-N 1 3 296.499 3.170 20 0 CGADHO CCC[C@](C)(O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513208142 392853511 /nfs/dbraw/zinc/85/35/11/392853511.db2.gz NIUISFGEEFEILV-JQHSSLGASA-N 1 3 296.499 3.170 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CCOCC1 ZINC000513336188 392853575 /nfs/dbraw/zinc/85/35/75/392853575.db2.gz WAMKTRWPKQBPGJ-GOSISDBHSA-N 1 3 294.483 3.188 20 0 CGADHO c1ccc([C@H](CC2CC2)[NH2+]CCCNC2CC2)cc1 ZINC000520394120 392922533 /nfs/dbraw/zinc/92/25/33/392922533.db2.gz KCAPHDLRLUQTSZ-KRWDZBQOSA-N 1 3 258.409 3.260 20 0 CGADHO C[C@H](CCN1CC[C@H](C2CC2)C1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491242807 542717207 /nfs/dbraw/zinc/71/72/07/542717207.db2.gz IWDRQSHIJIVOBA-FHLIZLRMSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CCN1CC[C@H](C2CC2)C1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491242807 542717213 /nfs/dbraw/zinc/71/72/13/542717213.db2.gz IWDRQSHIJIVOBA-FHLIZLRMSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@H](C2CC2)C1)N1CC[C@@H](C2CC2)C1 ZINC000491242807 542717219 /nfs/dbraw/zinc/71/72/19/542717219.db2.gz IWDRQSHIJIVOBA-FHLIZLRMSA-N 1 3 276.468 3.229 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@H](C2CC2)C1)N1CC[C@@H](C2CC2)C1 ZINC000491242807 542717225 /nfs/dbraw/zinc/71/72/25/542717225.db2.gz IWDRQSHIJIVOBA-FHLIZLRMSA-N 1 3 276.468 3.229 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000514090884 542734254 /nfs/dbraw/zinc/73/42/54/542734254.db2.gz WYRTVDWODKGWSJ-HRCADAONSA-N 1 3 252.446 3.275 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2SC)C1 ZINC000194855806 392942215 /nfs/dbraw/zinc/94/22/15/392942215.db2.gz ZQSNQOGHTXERFL-KBPBESRZSA-N 1 3 278.465 3.401 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000346291793 393082166 /nfs/dbraw/zinc/08/21/66/393082166.db2.gz IITSQARTJJNRCM-CQSZACIVSA-N 1 3 270.486 3.125 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCCCS2)CC1 ZINC000346291793 393082172 /nfs/dbraw/zinc/08/21/72/393082172.db2.gz IITSQARTJJNRCM-CQSZACIVSA-N 1 3 270.486 3.125 20 0 CGADHO C[C@H]([NH3+])[C@H](C)NCCCc1c(Cl)cccc1Cl ZINC000415011449 393094800 /nfs/dbraw/zinc/09/48/00/393094800.db2.gz HVSHIGFGYIEMAI-UWVGGRQHSA-N 1 3 275.223 3.251 20 0 CGADHO C[C@H](CCC[NH3+])NCc1cc(Cl)ccc1Cl ZINC000415025576 393101113 /nfs/dbraw/zinc/10/11/13/393101113.db2.gz RFWKBFPBWYDBRL-SECBINFHSA-N 1 3 261.196 3.210 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1cccc(Cl)c1 ZINC000414956766 393064461 /nfs/dbraw/zinc/06/44/61/393064461.db2.gz VPJBUBRGMWYVJL-ZOWXZIJZSA-N 1 3 266.816 3.174 20 0 CGADHO C[C@@H](CN[C@H]1CC[NH2+][C@H](C)C1)c1cccc(Cl)c1 ZINC000414956766 393064463 /nfs/dbraw/zinc/06/44/63/393064463.db2.gz VPJBUBRGMWYVJL-ZOWXZIJZSA-N 1 3 266.816 3.174 20 0 CGADHO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CCNCC1(C)C ZINC000414960153 393067170 /nfs/dbraw/zinc/06/71/70/393067170.db2.gz AEWYCSGOPFDUOR-OAHLLOKOSA-N 1 3 280.843 3.435 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)CCO1 ZINC000648510804 393072986 /nfs/dbraw/zinc/07/29/86/393072986.db2.gz XVJWBXKNEHZYFY-LISAXSMJSA-N 1 3 294.483 3.187 20 0 CGADHO c1nc(C2CCCC2)sc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414975617 393075622 /nfs/dbraw/zinc/07/56/22/393075622.db2.gz OXSDCGMQROJLRL-CQSZACIVSA-N 1 3 293.480 3.423 20 0 CGADHO CC[C@H](N)C[NH2+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000414978504 393076786 /nfs/dbraw/zinc/07/67/86/393076786.db2.gz MBSAJUNBDIHIKP-ZDUSSCGKSA-N 1 3 278.396 3.381 20 0 CGADHO [NH3+][C@H]1CCC[C@H](CNCc2c(F)cccc2Cl)C1 ZINC000414984352 393079518 /nfs/dbraw/zinc/07/95/18/393079518.db2.gz AFZOHCHUKWVMCN-QWRGUYRKSA-N 1 3 270.779 3.086 20 0 CGADHO Cc1ncc(CN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000415050631 393112321 /nfs/dbraw/zinc/11/23/21/393112321.db2.gz IWSGPUSYVXNUMZ-HNNXBMFYSA-N 1 3 275.421 3.021 20 0 CGADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415063623 393124064 /nfs/dbraw/zinc/12/40/64/393124064.db2.gz AQHLYSYMBOFKPQ-IRXDYDNUSA-N 1 3 258.409 3.054 20 0 CGADHO c1ccc(C[C@H]2CC[C@@H]([NH2+]CCCNC3CC3)C2)cc1 ZINC000415068990 393126734 /nfs/dbraw/zinc/12/67/34/393126734.db2.gz OBXOXYFHWTYMOU-SJLPKXTDSA-N 1 3 272.436 3.130 20 0 CGADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCCNC1CC1 ZINC000415071659 393128672 /nfs/dbraw/zinc/12/86/72/393128672.db2.gz UBJXSSVTQJKUGS-OAHLLOKOSA-N 1 3 274.452 3.475 20 0 CGADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC(C)(C)c1ccccc1F ZINC000415074323 393129534 /nfs/dbraw/zinc/12/95/34/393129534.db2.gz CHSCIPZSRWCVAD-KGLIPLIRSA-N 1 3 278.415 3.224 20 0 CGADHO c1csc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415083903 393135738 /nfs/dbraw/zinc/13/57/38/393135738.db2.gz GCCXVZIRNLTFNR-ZBFHGGJFSA-N 1 3 272.417 3.331 20 0 CGADHO C[C@H](NC1CCC([NH3+])CC1)c1nc(C(C)(C)C)cs1 ZINC000415084006 393135846 /nfs/dbraw/zinc/13/58/46/393135846.db2.gz QPMIHBFLPRZXGG-UNXYVOJBSA-N 1 3 281.469 3.361 20 0 CGADHO C[C@H](C[NH2+]C1CCNCC1)c1c(Cl)cccc1Cl ZINC000415081939 393136619 /nfs/dbraw/zinc/13/66/19/393136619.db2.gz LKIHVJAETQBSEW-SNVBAGLBSA-N 1 3 287.234 3.439 20 0 CGADHO C[C@H](CNC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000415081939 393136623 /nfs/dbraw/zinc/13/66/23/393136623.db2.gz LKIHVJAETQBSEW-SNVBAGLBSA-N 1 3 287.234 3.439 20 0 CGADHO Clc1cc(Cl)cc(CCNC[C@H]2CCC[NH2+]C2)c1 ZINC000415082494 393137012 /nfs/dbraw/zinc/13/70/12/393137012.db2.gz LWCGGQPLEMJXCF-LBPRGKRZSA-N 1 3 287.234 3.125 20 0 CGADHO Clc1cc(Cl)cc(CC[NH2+]C[C@H]2CCCNC2)c1 ZINC000415082494 393137022 /nfs/dbraw/zinc/13/70/22/393137022.db2.gz LWCGGQPLEMJXCF-LBPRGKRZSA-N 1 3 287.234 3.125 20 0 CGADHO Cc1ccccc1C1(CN[C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415097689 393144737 /nfs/dbraw/zinc/14/47/37/393144737.db2.gz DCYUJRWVECBZPA-CVEARBPZSA-N 1 3 272.436 3.147 20 0 CGADHO CC(C)C[C@H](N)C[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000415107292 393147058 /nfs/dbraw/zinc/14/70/58/393147058.db2.gz NPQNBYFTPNMTFH-INIZCTEOSA-N 1 3 292.467 3.326 20 0 CGADHO Cc1cc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc[nH+]1 ZINC000547825749 393153506 /nfs/dbraw/zinc/15/35/06/393153506.db2.gz FRWWHIVNPOUZHG-INIZCTEOSA-N 1 3 289.810 3.180 20 0 CGADHO C[C@@H]1CCN(Cc2cccc(-c3ccncc3)c2)C[C@H]1C[NH3+] ZINC000415133180 393155812 /nfs/dbraw/zinc/15/58/12/393155812.db2.gz UXWYOMJHLPUABY-DNVCBOLYSA-N 1 3 295.430 3.165 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CCCNC1 ZINC000469987679 393223694 /nfs/dbraw/zinc/22/36/94/393223694.db2.gz UGBVLVRZGIYXGX-QZTJIDSGSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000469987679 393223700 /nfs/dbraw/zinc/22/37/00/393223700.db2.gz UGBVLVRZGIYXGX-QZTJIDSGSA-N 1 3 274.452 3.248 20 0 CGADHO CC[C@H](Cc1ccc(C)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000469987679 393223707 /nfs/dbraw/zinc/22/37/07/393223707.db2.gz UGBVLVRZGIYXGX-QZTJIDSGSA-N 1 3 274.452 3.248 20 0 CGADHO CN1CCC2(CCC[N@@H+]2C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000355039988 393254001 /nfs/dbraw/zinc/25/40/01/393254001.db2.gz PUOTXDSHJKLVQU-MSOLQXFVSA-N 1 3 284.447 3.350 20 0 CGADHO CN1CCC2(CCC[N@H+]2C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000355039988 393254014 /nfs/dbraw/zinc/25/40/14/393254014.db2.gz PUOTXDSHJKLVQU-MSOLQXFVSA-N 1 3 284.447 3.350 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CCOCC1 ZINC000474800662 393348528 /nfs/dbraw/zinc/34/85/28/393348528.db2.gz URWYOXSEILYUBE-NJAFHUGGSA-N 1 3 296.499 3.292 20 0 CGADHO c1ccc(C[C@H](NC[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000420380880 393480156 /nfs/dbraw/zinc/48/01/56/393480156.db2.gz WYKRJZJVXMDNOH-MJGOQNOKSA-N 1 3 280.415 3.170 20 0 CGADHO CC(C)[C@H]([NH3+])CCN(C)CCCCC(F)(F)F ZINC000420287521 393450097 /nfs/dbraw/zinc/45/00/97/393450097.db2.gz HYWIVRJKBTURKY-LLVKDONJSA-N 1 3 254.340 3.024 20 0 CGADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000488301025 393483158 /nfs/dbraw/zinc/48/31/58/393483158.db2.gz VBBGYNDKNRGFSF-IXDOHACOSA-N 1 3 264.457 3.230 20 0 CGADHO c1ccc([C@H](NCC[C@@H]2CCC[NH2+]C2)c2ccccn2)cc1 ZINC000420316699 393463731 /nfs/dbraw/zinc/46/37/31/393463731.db2.gz MFEGYZDACMSJFD-LPHOPBHVSA-N 1 3 295.430 3.150 20 0 CGADHO NC[C@H]([NH2+]Cc1ccccc1OC(F)F)C1CCCCC1 ZINC000420359159 393472304 /nfs/dbraw/zinc/47/23/04/393472304.db2.gz GBWMZLLZEQHXKL-AWEZNQCLSA-N 1 3 298.377 3.285 20 0 CGADHO COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429543526 393476949 /nfs/dbraw/zinc/47/69/49/393476949.db2.gz WPELWCSXPBKARS-ZWKOTPCHSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429543526 393476957 /nfs/dbraw/zinc/47/69/57/393476957.db2.gz WPELWCSXPBKARS-ZWKOTPCHSA-N 1 3 290.451 3.180 20 0 CGADHO COCC[C@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429543526 393476960 /nfs/dbraw/zinc/47/69/60/393476960.db2.gz WPELWCSXPBKARS-ZWKOTPCHSA-N 1 3 290.451 3.180 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@@H+]1C ZINC000430226781 393543453 /nfs/dbraw/zinc/54/34/53/393543453.db2.gz PPJMVLXCXRWKIO-HNAYVOBHSA-N 1 3 286.463 3.480 20 0 CGADHO C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)CCCC3)CC[N@H+]1C ZINC000430226781 393543457 /nfs/dbraw/zinc/54/34/57/393543457.db2.gz PPJMVLXCXRWKIO-HNAYVOBHSA-N 1 3 286.463 3.480 20 0 CGADHO CC[NH+](CC)CC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000488392810 393498826 /nfs/dbraw/zinc/49/88/26/393498826.db2.gz FEEJAVNISLBKFB-HNNXBMFYSA-N 1 3 275.440 3.196 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)CS1 ZINC000488433385 393512015 /nfs/dbraw/zinc/51/20/15/393512015.db2.gz QYCHMMCURSHZPC-SJORKVTESA-N 1 3 292.492 3.368 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)CS1 ZINC000488433384 393512084 /nfs/dbraw/zinc/51/20/84/393512084.db2.gz QYCHMMCURSHZPC-IRXDYDNUSA-N 1 3 292.492 3.368 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)CS1 ZINC000488456272 393522491 /nfs/dbraw/zinc/52/24/91/393522491.db2.gz HDRFAOMZIHLPME-CABCVRRESA-N 1 3 284.513 3.372 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCOCC1 ZINC000358466078 393525262 /nfs/dbraw/zinc/52/52/62/393525262.db2.gz ILSZPVLWCSZLHY-ZOBUZTSGSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCOc2cccc3ccccc32)C1 ZINC000430572197 393576764 /nfs/dbraw/zinc/57/67/64/393576764.db2.gz NPJXBVHXALHSRA-DOTOQJQBSA-N 1 3 298.430 3.278 20 0 CGADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC[C@@H]1CCCCN1C ZINC000348267615 289006348 /nfs/dbraw/zinc/00/63/48/289006348.db2.gz BNHHAFAVTWVWPP-FRRDWIJNSA-N 1 3 278.362 3.134 20 0 CGADHO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC[C@@H]1CCCCN1C ZINC000348267615 289006349 /nfs/dbraw/zinc/00/63/49/289006349.db2.gz BNHHAFAVTWVWPP-FRRDWIJNSA-N 1 3 278.362 3.134 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@@H]1CCCC[NH2+]1)CC3 ZINC000666769667 542814894 /nfs/dbraw/zinc/81/48/94/542814894.db2.gz AJJGADKMCNOIJT-GJZGRUSLSA-N 1 3 297.446 3.065 20 0 CGADHO CN(CCCc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000430607956 393580156 /nfs/dbraw/zinc/58/01/56/393580156.db2.gz BVOFWABBNHNDHO-UHFFFAOYSA-N 1 3 282.431 3.456 20 0 CGADHO c1ccc2c(c1)cccc2CCC[N@@H+]1CCCNCC1 ZINC000430623866 393582583 /nfs/dbraw/zinc/58/25/83/393582583.db2.gz NSHHLJNUDCYULJ-UHFFFAOYSA-N 1 3 268.404 3.068 20 0 CGADHO c1ccc2c(c1)cccc2CCC[N@H+]1CCCNCC1 ZINC000430623866 393582590 /nfs/dbraw/zinc/58/25/90/393582590.db2.gz NSHHLJNUDCYULJ-UHFFFAOYSA-N 1 3 268.404 3.068 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422717298 393640508 /nfs/dbraw/zinc/64/05/08/393640508.db2.gz VJAFRXHCHMJOLU-HZPDHXFCSA-N 1 3 278.415 3.353 20 0 CGADHO CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422717299 393640875 /nfs/dbraw/zinc/64/08/75/393640875.db2.gz VJAFRXHCHMJOLU-JKSUJKDBSA-N 1 3 278.415 3.353 20 0 CGADHO CC1CCC(C)(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000423086721 393650662 /nfs/dbraw/zinc/65/06/62/393650662.db2.gz NUAXDMODCPMOOO-PWUWZPNHSA-N 1 3 252.446 3.181 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000423117212 393651524 /nfs/dbraw/zinc/65/15/24/393651524.db2.gz UHFJFMAITNZLFX-IGQOVBAYSA-N 1 3 290.398 3.047 20 0 CGADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](N)C2CC2)c2sccc21 ZINC000423310683 393661030 /nfs/dbraw/zinc/66/10/30/393661030.db2.gz ARNVIZYWUUNPPY-OASPWFOLSA-N 1 3 250.411 3.013 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(N)CCC2)c2ccccc21 ZINC000423340529 393662592 /nfs/dbraw/zinc/66/25/92/393662592.db2.gz XIUORQNQJIOECI-HOTGVXAUSA-N 1 3 258.409 3.342 20 0 CGADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423333446 393662611 /nfs/dbraw/zinc/66/26/11/393662611.db2.gz PUMHCVZTDRDIKF-XHSDSOJGSA-N 1 3 252.446 3.181 20 0 CGADHO Cc1ccc2cc(C[NH2+][C@H]3CCNC4(CCC4)C3)ccc2n1 ZINC000666993782 542832847 /nfs/dbraw/zinc/83/28/47/542832847.db2.gz JHMIZOVTLPKZRW-KRWDZBQOSA-N 1 3 295.430 3.308 20 0 CGADHO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666993772 542833063 /nfs/dbraw/zinc/83/30/63/542833063.db2.gz IEIKNDSZROZNAB-BBWFWOEESA-N 1 3 270.420 3.054 20 0 CGADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666993772 542833067 /nfs/dbraw/zinc/83/30/67/542833067.db2.gz IEIKNDSZROZNAB-BBWFWOEESA-N 1 3 270.420 3.054 20 0 CGADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666996706 542834089 /nfs/dbraw/zinc/83/40/89/542834089.db2.gz AKNJYHDHSBIDKD-PMPSAXMXSA-N 1 3 264.457 3.467 20 0 CGADHO CC[C@H](O)[C@H](CC)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449644037 393933505 /nfs/dbraw/zinc/93/35/05/393933505.db2.gz ZSMYQWKPOCFIDG-UBDQQSCGSA-N 1 3 296.499 3.169 20 0 CGADHO CC[C@H](O)[C@H](CC)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449644037 393933509 /nfs/dbraw/zinc/93/35/09/393933509.db2.gz ZSMYQWKPOCFIDG-UBDQQSCGSA-N 1 3 296.499 3.169 20 0 CGADHO CN1CCC[C@H]2C[N@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497095 394006084 /nfs/dbraw/zinc/00/60/84/394006084.db2.gz CBRRCXODUBGSIM-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497095 394006086 /nfs/dbraw/zinc/00/60/86/394006086.db2.gz CBRRCXODUBGSIM-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497095 394006087 /nfs/dbraw/zinc/00/60/87/394006087.db2.gz CBRRCXODUBGSIM-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000450497095 394006090 /nfs/dbraw/zinc/00/60/90/394006090.db2.gz CBRRCXODUBGSIM-DOTOQJQBSA-N 1 3 292.854 3.299 20 0 CGADHO Cc1cc([C@H](C)NCCCC[N@H+](C)C2CC2)oc1C ZINC000453413887 394239044 /nfs/dbraw/zinc/23/90/44/394239044.db2.gz WQLKWZCVEXNHBB-ZDUSSCGKSA-N 1 3 264.413 3.421 20 0 CGADHO Cc1cc([C@H](C)NCCCC[N@@H+](C)C2CC2)oc1C ZINC000453413887 394239051 /nfs/dbraw/zinc/23/90/51/394239051.db2.gz WQLKWZCVEXNHBB-ZDUSSCGKSA-N 1 3 264.413 3.421 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453148384 394187934 /nfs/dbraw/zinc/18/79/34/394187934.db2.gz YRXQSSAAIRMQGG-BRWVUGGUSA-N 1 3 264.457 3.418 20 0 CGADHO CCCOc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c(C)c1 ZINC000667629821 542900521 /nfs/dbraw/zinc/90/05/21/542900521.db2.gz OWFSQYUZDMUMNV-INIZCTEOSA-N 1 3 290.451 3.167 20 0 CGADHO CCCOc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)c(C)c1 ZINC000667629821 542900523 /nfs/dbraw/zinc/90/05/23/542900523.db2.gz OWFSQYUZDMUMNV-INIZCTEOSA-N 1 3 290.451 3.167 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000671744500 543184574 /nfs/dbraw/zinc/18/45/74/543184574.db2.gz CVMGAJYEJVGBHM-SJORKVTESA-N 1 3 290.451 3.151 20 0 CGADHO C[C@@H](CN[C@H](c1ccccc1)C1CC1)C[NH+]1CCCC1 ZINC000062079185 397638168 /nfs/dbraw/zinc/63/81/68/397638168.db2.gz VBAVBSWISXKQNI-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)CN1CCCC1 ZINC000062079185 397638171 /nfs/dbraw/zinc/63/81/71/397638171.db2.gz VBAVBSWISXKQNI-MAUKXSAKSA-N 1 3 272.436 3.459 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000421374838 397702938 /nfs/dbraw/zinc/70/29/38/397702938.db2.gz HNQGYCNGEQODKC-CQSZACIVSA-N 1 3 296.524 3.372 20 0 CGADHO c1cc2c(c(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c1)CCC2 ZINC000650702890 397897582 /nfs/dbraw/zinc/89/75/82/397897582.db2.gz ZRWDVTPBUQGNDG-HKUYNNGSSA-N 1 3 284.447 3.139 20 0 CGADHO COC[C@@H](CCC[NH3+])NC1(c2ccccc2Cl)CCC1 ZINC000650740578 397904192 /nfs/dbraw/zinc/90/41/92/397904192.db2.gz MYXIIZQYXZFEDL-CYBMUJFWSA-N 1 3 296.842 3.063 20 0 CGADHO C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650753927 397909199 /nfs/dbraw/zinc/90/91/99/397909199.db2.gz YMCDBCIAAXEGNR-KPZWWZAWSA-N 1 3 284.378 3.308 20 0 CGADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000650758695 397911159 /nfs/dbraw/zinc/91/11/59/397911159.db2.gz VVMHCJSRNHUIPH-LJQANCHMSA-N 1 3 280.415 3.492 20 0 CGADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000675751919 543360519 /nfs/dbraw/zinc/36/05/19/543360519.db2.gz GJZFTJOSYGKVPU-HRCADAONSA-N 1 3 250.430 3.338 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000677242034 543441403 /nfs/dbraw/zinc/44/14/03/543441403.db2.gz WKZHHZNAAVMXAS-SJORKVTESA-N 1 3 290.426 3.320 20 0 CGADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000677242034 543441404 /nfs/dbraw/zinc/44/14/04/543441404.db2.gz WKZHHZNAAVMXAS-SJORKVTESA-N 1 3 290.426 3.320 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765845 543554137 /nfs/dbraw/zinc/55/41/37/543554137.db2.gz HEHKFFOFUZYPEE-DAYGRLMNSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765845 543554139 /nfs/dbraw/zinc/55/41/39/543554139.db2.gz HEHKFFOFUZYPEE-DAYGRLMNSA-N 1 3 272.436 3.241 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC000678765845 543554141 /nfs/dbraw/zinc/55/41/41/543554141.db2.gz HEHKFFOFUZYPEE-DAYGRLMNSA-N 1 3 272.436 3.241 20 0 CGADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000678774683 543556656 /nfs/dbraw/zinc/55/66/56/543556656.db2.gz BXLOPERDOBPGOC-CMKODMSKSA-N 1 3 298.474 3.497 20 0 CGADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCc2ccccc21 ZINC000678774683 543556657 /nfs/dbraw/zinc/55/66/57/543556657.db2.gz BXLOPERDOBPGOC-CMKODMSKSA-N 1 3 298.474 3.497 20 0 CGADHO Cc1ccc([C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C2CC2)cc1 ZINC000423373301 292261114 /nfs/dbraw/zinc/26/11/14/292261114.db2.gz JDMPZERSZUNKGI-XYPHTWIQSA-N 1 3 258.409 3.176 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C2CC2)cc1 ZINC000423373301 292261115 /nfs/dbraw/zinc/26/11/15/292261115.db2.gz JDMPZERSZUNKGI-XYPHTWIQSA-N 1 3 258.409 3.176 20 0 CGADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C12CCCC2 ZINC000344082426 286405259 /nfs/dbraw/zinc/40/52/59/286405259.db2.gz YXBHITHBHFFEQA-LUKYLMHMSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000226171924 296731818 /nfs/dbraw/zinc/73/18/18/296731818.db2.gz HVFZADSZKFZIRP-VKJFTORMSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CCCC1 ZINC000054077706 286940803 /nfs/dbraw/zinc/94/08/03/286940803.db2.gz UTEGVYSPODXRLK-GFCCVEGCSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1)[C@H](C)N ZINC000423450447 287050934 /nfs/dbraw/zinc/05/09/34/287050934.db2.gz SYJLCIGFYSDFIJ-AXFHLTTASA-N 1 3 290.329 3.014 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccnc2ccccc21 ZINC000089109060 165198571 /nfs/dbraw/zinc/19/85/71/165198571.db2.gz IQIOYGAHXMYKAE-JSGCOSHPSA-N 1 3 255.365 3.164 20 0 CGADHO CCCC[C@@H](COC)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585993 287102933 /nfs/dbraw/zinc/10/29/33/287102933.db2.gz LMAXYEKGPNCFIN-IRXDYDNUSA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@@H](COC)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585993 287102934 /nfs/dbraw/zinc/10/29/34/287102934.db2.gz LMAXYEKGPNCFIN-IRXDYDNUSA-N 1 3 284.488 3.149 20 0 CGADHO CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000090585993 287102936 /nfs/dbraw/zinc/10/29/36/287102936.db2.gz LMAXYEKGPNCFIN-IRXDYDNUSA-N 1 3 284.488 3.149 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1cc2ccccc2o1 ZINC000090076654 165225887 /nfs/dbraw/zinc/22/58/87/165225887.db2.gz RBLCVDIAQPJGGF-KEYYUXOJSA-N 1 3 286.419 3.294 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1cc2ccccc2o1 ZINC000090076654 165225890 /nfs/dbraw/zinc/22/58/90/165225890.db2.gz RBLCVDIAQPJGGF-KEYYUXOJSA-N 1 3 286.419 3.294 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)N(C)CC(C)(C)C[NH3+] ZINC000093861256 165340883 /nfs/dbraw/zinc/34/08/83/165340883.db2.gz KSBXKBSRTNXGRK-AWEZNQCLSA-N 1 3 252.377 3.194 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)CN ZINC000093861256 165340886 /nfs/dbraw/zinc/34/08/86/165340886.db2.gz KSBXKBSRTNXGRK-AWEZNQCLSA-N 1 3 252.377 3.194 20 0 CGADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)CN ZINC000093861256 165340889 /nfs/dbraw/zinc/34/08/89/165340889.db2.gz KSBXKBSRTNXGRK-AWEZNQCLSA-N 1 3 252.377 3.194 20 0 CGADHO CN(Cc1cccc(Cl)c1Cl)CC1CC[NH2+]CC1 ZINC000094010857 165343131 /nfs/dbraw/zinc/34/31/31/165343131.db2.gz WWKFJPOWYXORSG-UHFFFAOYSA-N 1 3 287.234 3.425 20 0 CGADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000434779021 287218911 /nfs/dbraw/zinc/21/89/11/287218911.db2.gz UOCRLAVOGRSYKM-TUVASFSCSA-N 1 3 252.446 3.274 20 0 CGADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(F)c1 ZINC000020128840 171016034 /nfs/dbraw/zinc/01/60/34/171016034.db2.gz CAKWEDIOCHLGRA-CQSZACIVSA-N 1 3 264.388 3.352 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000020128789 171016076 /nfs/dbraw/zinc/01/60/76/171016076.db2.gz NYELGTKREXCSOI-OAHLLOKOSA-N 1 3 276.424 3.222 20 0 CGADHO c1ccc2c(c1)cccc2CNCCC[NH+]1CCCC1 ZINC000020128905 171016742 /nfs/dbraw/zinc/01/67/42/171016742.db2.gz QXMNPFFCSSLQLO-UHFFFAOYSA-N 1 3 268.404 3.415 20 0 CGADHO c1ccc2c(c1)cccc2C[NH2+]CCCN1CCCC1 ZINC000020128905 171016743 /nfs/dbraw/zinc/01/67/43/171016743.db2.gz QXMNPFFCSSLQLO-UHFFFAOYSA-N 1 3 268.404 3.415 20 0 CGADHO C[NH+]1CCC(NCc2ccc(C(C)(C)C)s2)CC1 ZINC000126279584 287260881 /nfs/dbraw/zinc/26/08/81/287260881.db2.gz RHXYZVYJVCCUMF-UHFFFAOYSA-N 1 3 266.454 3.229 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000126557306 287267868 /nfs/dbraw/zinc/26/78/68/287267868.db2.gz APIYYRQPOMSGKQ-BRWVUGGUSA-N 1 3 290.838 3.024 20 0 CGADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000126557306 287267870 /nfs/dbraw/zinc/26/78/70/287267870.db2.gz APIYYRQPOMSGKQ-BRWVUGGUSA-N 1 3 290.838 3.024 20 0 CGADHO C[C@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)CN1CCCC1 ZINC000126568240 287268230 /nfs/dbraw/zinc/26/82/30/287268230.db2.gz KTDZFHADENBHNS-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@H](CN[C@H]1Cc2ccc(Cl)cc2C1)C[NH+]1CCCC1 ZINC000126568240 287268232 /nfs/dbraw/zinc/26/82/32/287268232.db2.gz KTDZFHADENBHNS-DYVFJYSZSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@@H](C[NH2+][C@H]1CCc2ccccc21)CN1CCCCC1 ZINC000038041790 174042923 /nfs/dbraw/zinc/04/29/23/174042923.db2.gz VEROZPDJAQSQDH-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO Cc1ccc(C)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000049257383 416468597 /nfs/dbraw/zinc/46/85/97/416468597.db2.gz GEINXAMACOBKQG-WMZOPIPTSA-N 1 3 272.436 3.267 20 0 CGADHO C(C1CCCCC1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436842 416521630 /nfs/dbraw/zinc/52/16/30/416521630.db2.gz NRGZFYAZPNJRLR-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C(C1CCCCC1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436842 416521637 /nfs/dbraw/zinc/52/16/37/416521637.db2.gz NRGZFYAZPNJRLR-OAHLLOKOSA-N 1 3 250.430 3.031 20 0 CGADHO C1C[C@H]([NH2+][C@H]2CCCNCC2)C2(C1)CCCCC2 ZINC000313074795 416533852 /nfs/dbraw/zinc/53/38/52/416533852.db2.gz NAVXWXOHKWWFIU-GJZGRUSLSA-N 1 3 250.430 3.221 20 0 CGADHO Fc1cncc([C@@H]([NH2+]CCCN2CCCCC2)C2CC2)c1 ZINC000342734940 416541379 /nfs/dbraw/zinc/54/13/79/416541379.db2.gz KQFRWNSDWAZOSA-KRWDZBQOSA-N 1 3 291.414 3.137 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1CCN)c1ccccc1 ZINC000404341833 416551951 /nfs/dbraw/zinc/55/19/51/416551951.db2.gz FIVLCEXHXOTYOM-UXLLHSPISA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CCN)c1ccccc1 ZINC000404341833 416551967 /nfs/dbraw/zinc/55/19/67/416551967.db2.gz FIVLCEXHXOTYOM-UXLLHSPISA-N 1 3 260.425 3.239 20 0 CGADHO C[C@@H]1CCCN(Cc2cc3ccccc3o2)[C@@H]1CC[NH3+] ZINC000404283310 416553033 /nfs/dbraw/zinc/55/30/33/416553033.db2.gz QVBBOVJWWXKUNR-CZUORRHYSA-N 1 3 272.392 3.382 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)[C@@H]1CCN ZINC000404360264 416553040 /nfs/dbraw/zinc/55/30/40/416553040.db2.gz DWTVWXCJMWCRKX-RHSMWYFYSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)[C@@H]1CCN ZINC000404360264 416553045 /nfs/dbraw/zinc/55/30/45/416553045.db2.gz DWTVWXCJMWCRKX-RHSMWYFYSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCCN(Cc2cccc3cccnc32)[C@@H]1CC[NH3+] ZINC000404360264 416553050 /nfs/dbraw/zinc/55/30/50/416553050.db2.gz DWTVWXCJMWCRKX-RHSMWYFYSA-N 1 3 283.419 3.184 20 0 CGADHO C[C@@H]1CCCN(C/C=C/c2ccccc2)[C@H]1CC[NH3+] ZINC000404395423 416554436 /nfs/dbraw/zinc/55/44/36/416554436.db2.gz OFFQBWJDFHFRPD-OEKIROHGSA-N 1 3 258.409 3.149 20 0 CGADHO CC[C@@H]1CN(CC[C@@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000122259901 416503386 /nfs/dbraw/zinc/50/33/86/416503386.db2.gz FTSIQFUDINWYRH-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@H+](CC[C@@H](C)c2ccccc2)CC[C@@H]1N ZINC000122259901 416503390 /nfs/dbraw/zinc/50/33/90/416503390.db2.gz FTSIQFUDINWYRH-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC[C@@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)CC[C@@H]1N ZINC000122259901 416503394 /nfs/dbraw/zinc/50/33/94/416503394.db2.gz FTSIQFUDINWYRH-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CC[N@H+](CCC1CC1)Cc1ccc(CN(C)C)cc1 ZINC000680649799 543722399 /nfs/dbraw/zinc/72/23/99/543722399.db2.gz GYFHWVVTYIFMIM-UHFFFAOYSA-N 1 3 260.425 3.370 20 0 CGADHO CC[N@@H+](CCC1CC1)Cc1ccc(CN(C)C)cc1 ZINC000680649799 543722401 /nfs/dbraw/zinc/72/24/01/543722401.db2.gz GYFHWVVTYIFMIM-UHFFFAOYSA-N 1 3 260.425 3.370 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C1 ZINC000684394108 543992606 /nfs/dbraw/zinc/99/26/06/543992606.db2.gz WYOZZFNEGOSUCF-XLMAVXFVSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684426966 543999647 /nfs/dbraw/zinc/99/96/47/543999647.db2.gz XUWZPVKYRBFHIA-DOTOQJQBSA-N 1 3 290.451 3.153 20 0 CGADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741027 418936051 /nfs/dbraw/zinc/93/60/51/418936051.db2.gz WKBGUCPJBGCSOC-RHSMWYFYSA-N 1 3 290.426 3.355 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@H+](CCCc1ccc(Cl)cc1)C2 ZINC000652351557 418955516 /nfs/dbraw/zinc/95/55/16/418955516.db2.gz FORUZYZOEXKSBF-RDJZCZTQSA-N 1 3 292.854 3.333 20 0 CGADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC000652351557 418955519 /nfs/dbraw/zinc/95/55/19/418955519.db2.gz FORUZYZOEXKSBF-RDJZCZTQSA-N 1 3 292.854 3.333 20 0 CGADHO c1c2c(oc1-c1ccccc1)CCN(CC[C@H]1CC[NH2+]C1)C2 ZINC000652353165 418957073 /nfs/dbraw/zinc/95/70/73/418957073.db2.gz KQBBEFSIQQXWPC-OAHLLOKOSA-N 1 3 296.414 3.304 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@H+](CC3CC=CC3)C2)CC1 ZINC000659868364 419022562 /nfs/dbraw/zinc/02/25/62/419022562.db2.gz ZWHHXARXZITQNY-GOSISDBHSA-N 1 3 276.468 3.397 20 0 CGADHO CC1CCN(C[C@H]2CCC[N@@H+](CC3CC=CC3)C2)CC1 ZINC000659868364 419022565 /nfs/dbraw/zinc/02/25/65/419022565.db2.gz ZWHHXARXZITQNY-GOSISDBHSA-N 1 3 276.468 3.397 20 0 CGADHO C([C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)N1CCCCC1 ZINC000659955856 419046374 /nfs/dbraw/zinc/04/63/74/419046374.db2.gz FBGSWWVTUJHLHT-XDNAFOTISA-N 1 3 276.468 3.230 20 0 CGADHO C([C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)N1CCCCC1 ZINC000659955856 419046377 /nfs/dbraw/zinc/04/63/77/419046377.db2.gz FBGSWWVTUJHLHT-XDNAFOTISA-N 1 3 276.468 3.230 20 0 CGADHO CC(C)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000665241438 419088218 /nfs/dbraw/zinc/08/82/18/419088218.db2.gz MPNOWCUQCUIRMT-IOASZLSFSA-N 1 3 264.388 3.382 20 0 CGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC(C)(C)CC(C)(C)C1 ZINC000665245640 419089715 /nfs/dbraw/zinc/08/97/15/419089715.db2.gz OCQMXISCQZJQPI-CWRNSKLLSA-N 1 3 296.499 3.181 20 0 CGADHO NC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CCCC1 ZINC000665247521 419091241 /nfs/dbraw/zinc/09/12/41/419091241.db2.gz DMPSWURXJWCRFQ-HNNXBMFYSA-N 1 3 262.372 3.064 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665248727 419091603 /nfs/dbraw/zinc/09/16/03/419091603.db2.gz BFAGIHACTUJFJT-CYBMUJFWSA-N 1 3 262.397 3.007 20 0 CGADHO CCc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)s1 ZINC000665249484 419091742 /nfs/dbraw/zinc/09/17/42/419091742.db2.gz RGXGFUDTDWSRLR-NSHDSACASA-N 1 3 252.427 3.233 20 0 CGADHO CCCOc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665249089 419092887 /nfs/dbraw/zinc/09/28/87/419092887.db2.gz JNGNYGHKMLMBTP-AWEZNQCLSA-N 1 3 276.424 3.398 20 0 CGADHO CC(C)C[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253166 419094208 /nfs/dbraw/zinc/09/42/08/419094208.db2.gz IPWSDQHIHIGMJU-KBRIMQKVSA-N 1 3 278.415 3.295 20 0 CGADHO CC1(C)[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1(F)F ZINC000665274087 419097935 /nfs/dbraw/zinc/09/79/35/419097935.db2.gz JKSROHOVHVEEBE-FQUUOJAGSA-N 1 3 286.410 3.178 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665273660 419098786 /nfs/dbraw/zinc/09/87/86/419098786.db2.gz AXYHSLMLXXLIOY-VQHPVUNQSA-N 1 3 258.409 3.182 20 0 CGADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000665279861 419101491 /nfs/dbraw/zinc/10/14/91/419101491.db2.gz NTWXTHJNZWQLMV-UVLVOVGGSA-N 1 3 296.867 3.235 20 0 CGADHO Cc1ccc([C@@H](NCC[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000665280525 419101501 /nfs/dbraw/zinc/10/15/01/419101501.db2.gz FHMRAJZVHYRKRA-IAGOWNOFSA-N 1 3 260.425 3.409 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000665282387 419103598 /nfs/dbraw/zinc/10/35/98/419103598.db2.gz WWZNLBCUFVRQPW-DGCLKSJQSA-N 1 3 262.388 3.163 20 0 CGADHO COCC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000655817212 419106402 /nfs/dbraw/zinc/10/64/02/419106402.db2.gz IVBZPHCMERDNLV-DOTOQJQBSA-N 1 3 294.483 3.046 20 0 CGADHO COCC1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000655818879 419108580 /nfs/dbraw/zinc/10/85/80/419108580.db2.gz VYDFEHXYLFQQOU-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO COCC1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000655818879 419108584 /nfs/dbraw/zinc/10/85/84/419108584.db2.gz VYDFEHXYLFQQOU-RDJZCZTQSA-N 1 3 294.483 3.046 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](OC)C2CCCCC2)C1 ZINC000659982736 419053473 /nfs/dbraw/zinc/05/34/73/419053473.db2.gz VTNAIJYTTKYEKT-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](OC)C2CCCCC2)C1 ZINC000659982736 419053478 /nfs/dbraw/zinc/05/34/78/419053478.db2.gz VTNAIJYTTKYEKT-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982736 419053482 /nfs/dbraw/zinc/05/34/82/419053482.db2.gz VTNAIJYTTKYEKT-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659982736 419053486 /nfs/dbraw/zinc/05/34/86/419053486.db2.gz VTNAIJYTTKYEKT-SJLPKXTDSA-N 1 3 296.499 3.245 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NCC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196679 419148271 /nfs/dbraw/zinc/14/82/71/419148271.db2.gz ACECFHBAPCJEFQ-CABCVRRESA-N 1 3 278.827 3.231 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CC2)C1 ZINC000656196679 419148273 /nfs/dbraw/zinc/14/82/73/419148273.db2.gz ACECFHBAPCJEFQ-CABCVRRESA-N 1 3 278.827 3.231 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NC2(c3cccc(F)c3)CCC2)C1 ZINC000656200857 419150066 /nfs/dbraw/zinc/15/00/66/419150066.db2.gz VKPOVMOALWJHMD-LSDHHAIUSA-N 1 3 262.372 3.064 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000656478128 419176744 /nfs/dbraw/zinc/17/67/44/419176744.db2.gz FAQQHCKTCAOHFV-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO Clc1cccc(CCN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000656478128 419176747 /nfs/dbraw/zinc/17/67/47/419176747.db2.gz FAQQHCKTCAOHFV-HOTGVXAUSA-N 1 3 278.827 3.099 20 0 CGADHO CC[C@H]1C[C@@H](NCc2cccc(C[N@H+](C)C(C)C)c2)CO1 ZINC000657332091 419252759 /nfs/dbraw/zinc/25/27/59/419252759.db2.gz BBUBLZOESYTABM-MSOLQXFVSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@H]1C[C@@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)CO1 ZINC000657332091 419252760 /nfs/dbraw/zinc/25/27/60/419252760.db2.gz BBUBLZOESYTABM-MSOLQXFVSA-N 1 3 290.451 3.184 20 0 CGADHO Cc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000656784737 419217943 /nfs/dbraw/zinc/21/79/43/419217943.db2.gz GRCKCSMVEXEEEG-QGZVFWFLSA-N 1 3 290.426 3.346 20 0 CGADHO C(=C/c1ccccc1)\CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786658 419219434 /nfs/dbraw/zinc/21/94/34/419219434.db2.gz VUJRQJBLWJIQBC-MTCRFPMVSA-N 1 3 284.447 3.411 20 0 CGADHO C(CN1CCC[C@@H]([C@H]2CCCCO2)C1)C[NH+]1CCCCC1 ZINC000661873264 419309395 /nfs/dbraw/zinc/30/93/95/419309395.db2.gz DTBWFSXBCYJIPO-QZTJIDSGSA-N 1 3 294.483 3.144 20 0 CGADHO CC1(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CCC1 ZINC000657613754 419314216 /nfs/dbraw/zinc/31/42/16/419314216.db2.gz QWGLYYGKTVPASC-UHFFFAOYSA-N 1 3 287.451 3.073 20 0 CGADHO C[C@H]1CCC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)O1 ZINC000657670305 419325992 /nfs/dbraw/zinc/32/59/92/419325992.db2.gz STAXYGJJTCVBKS-YJBOKZPZSA-N 1 3 294.483 3.331 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657716773 419332145 /nfs/dbraw/zinc/33/21/45/419332145.db2.gz STAJCDXOYOQIEU-BRSBDYLESA-N 1 3 270.420 3.149 20 0 CGADHO c1ccc([C@H]2CC[C@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657716773 419332146 /nfs/dbraw/zinc/33/21/46/419332146.db2.gz STAJCDXOYOQIEU-BRSBDYLESA-N 1 3 270.420 3.149 20 0 CGADHO FC1(F)CC12CCC([NH2+][C@@H]1CCN3CCC[C@H]3C1)CC2 ZINC000657716418 419332635 /nfs/dbraw/zinc/33/26/35/419332635.db2.gz IOUDKLPTCIMDNF-FUUBYGMNSA-N 1 3 284.394 3.171 20 0 CGADHO CC[N@H+](CCCN)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318634 419390070 /nfs/dbraw/zinc/39/00/70/419390070.db2.gz CWKKJNJMUPTNCZ-GFCCVEGCSA-N 1 3 288.357 3.307 20 0 CGADHO CC[N@@H+](CCCN)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318634 419390075 /nfs/dbraw/zinc/39/00/75/419390075.db2.gz CWKKJNJMUPTNCZ-GFCCVEGCSA-N 1 3 288.357 3.307 20 0 CGADHO CCN(CCC[NH3+])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318634 419390078 /nfs/dbraw/zinc/39/00/78/419390078.db2.gz CWKKJNJMUPTNCZ-GFCCVEGCSA-N 1 3 288.357 3.307 20 0 CGADHO C[N@H+](CCCc1ccccc1)Cc1cccc2c1CCNC2 ZINC000662250865 419373741 /nfs/dbraw/zinc/37/37/41/419373741.db2.gz QEOYWYGJBCWTTF-UHFFFAOYSA-N 1 3 294.442 3.397 20 0 CGADHO C[N@@H+](CCCc1ccccc1)Cc1cccc2c1CCNC2 ZINC000662250865 419373744 /nfs/dbraw/zinc/37/37/44/419373744.db2.gz QEOYWYGJBCWTTF-UHFFFAOYSA-N 1 3 294.442 3.397 20 0 CGADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2)C1 ZINC000662264470 419376775 /nfs/dbraw/zinc/37/67/75/419376775.db2.gz DNBJFDMSEWJLMJ-UKRRQHHQSA-N 1 3 260.425 3.153 20 0 CGADHO CC[C@@H]1C[N@H+](C[C@H]2CCCCC2(C)C)CC[C@@H]1N ZINC000662271264 419378162 /nfs/dbraw/zinc/37/81/62/419378162.db2.gz UTHCSDDIPUXNNH-KFWWJZLASA-N 1 3 252.446 3.262 20 0 CGADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CC[C@@H]1N ZINC000662271264 419378166 /nfs/dbraw/zinc/37/81/66/419378166.db2.gz UTHCSDDIPUXNNH-KFWWJZLASA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C(F)F)nc1 ZINC000657833117 419379448 /nfs/dbraw/zinc/37/94/48/419379448.db2.gz DVQNXYAPTUBPGR-NEPJUHHUSA-N 1 3 295.377 3.154 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657844862 419385198 /nfs/dbraw/zinc/38/51/98/419385198.db2.gz KOTNRELJIJFPJS-WCVJEAGWSA-N 1 3 264.457 3.133 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000662285743 419386339 /nfs/dbraw/zinc/38/63/39/419386339.db2.gz MWZQMSHEYKOJHK-JHJVBQTASA-N 1 3 262.388 3.117 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000662285743 419386344 /nfs/dbraw/zinc/38/63/44/419386344.db2.gz MWZQMSHEYKOJHK-JHJVBQTASA-N 1 3 262.388 3.117 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCCC12CC2)N1CCCCC1 ZINC000657973811 419470082 /nfs/dbraw/zinc/47/00/82/419470082.db2.gz UYZWCHIQRADZAE-LSDHHAIUSA-N 1 3 250.430 3.173 20 0 CGADHO CC(C)c1cccc(C[NH2+]CC2=CCN(C)CC2)c1 ZINC000663320734 419554994 /nfs/dbraw/zinc/55/49/94/419554994.db2.gz MSRXFXJWBBYKCJ-UHFFFAOYSA-N 1 3 258.409 3.162 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034224 419510402 /nfs/dbraw/zinc/51/04/02/419510402.db2.gz DZNUIOLKSHVUPH-STQMWFEESA-N 1 3 297.393 3.402 20 0 CGADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(F)F)nc1 ZINC000658034224 419510410 /nfs/dbraw/zinc/51/04/10/419510410.db2.gz DZNUIOLKSHVUPH-STQMWFEESA-N 1 3 297.393 3.402 20 0 CGADHO c1ccc([C@H]2CCCC[C@@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000663499028 419634605 /nfs/dbraw/zinc/63/46/05/419634605.db2.gz VKHCSKXXYJAMLX-PZZKWDHKSA-N 1 3 284.447 3.445 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000663501628 419635139 /nfs/dbraw/zinc/63/51/39/419635139.db2.gz ALHTVKWJXXCMMM-FGTMMUONSA-N 1 3 274.452 3.361 20 0 CGADHO c1ccc([C@@H]2CCCC[C@H]([NH2+]CC34CC(C3)CN4)C2)cc1 ZINC000663499025 419635998 /nfs/dbraw/zinc/63/59/98/419635998.db2.gz VKHCSKXXYJAMLX-BEVRRMAYSA-N 1 3 284.447 3.445 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000663395179 419590563 /nfs/dbraw/zinc/59/05/63/419590563.db2.gz DHBUERXTMJJGHV-QLFBSQMISA-N 1 3 298.434 3.405 20 0 CGADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000663395179 419590567 /nfs/dbraw/zinc/59/05/67/419590567.db2.gz DHBUERXTMJJGHV-QLFBSQMISA-N 1 3 298.434 3.405 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468524 419620866 /nfs/dbraw/zinc/62/08/66/419620866.db2.gz LRRQZJDNFNKOAK-PVAVHDDUSA-N 1 3 264.457 3.277 20 0 CGADHO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467579 419621697 /nfs/dbraw/zinc/62/16/97/419621697.db2.gz GURDRTIXGFJTOB-APWZRJJASA-N 1 3 284.447 3.386 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663468497 419623101 /nfs/dbraw/zinc/62/31/01/419623101.db2.gz LMHFVTFYVVRVGK-NVXWUHKLSA-N 1 3 264.457 3.133 20 0 CGADHO Cc1nc(C)c(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000179698920 260064434 /nfs/dbraw/zinc/06/44/34/260064434.db2.gz SDAYNZRZADZJMS-UHFFFAOYSA-N 1 3 295.496 3.314 20 0 CGADHO Cc1ccc(F)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000179970118 260084519 /nfs/dbraw/zinc/08/45/19/260084519.db2.gz JYOTUCJHLGKJHQ-UHFFFAOYSA-N 1 3 278.415 3.298 20 0 CGADHO CCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534857 270035824 /nfs/dbraw/zinc/03/58/24/270035824.db2.gz UCLRVEMIQPUHJP-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO CCCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534857 270035825 /nfs/dbraw/zinc/03/58/25/270035825.db2.gz UCLRVEMIQPUHJP-HOTGVXAUSA-N 1 3 290.451 3.468 20 0 CGADHO CSc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534660 270036224 /nfs/dbraw/zinc/03/62/24/270036224.db2.gz VBKVLOJGHHGVIE-ZIAGYGMSSA-N 1 3 278.465 3.401 20 0 CGADHO CSc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534660 270036225 /nfs/dbraw/zinc/03/62/25/270036225.db2.gz VBKVLOJGHHGVIE-ZIAGYGMSSA-N 1 3 278.465 3.401 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000044535711 270036463 /nfs/dbraw/zinc/03/64/63/270036463.db2.gz XWBSGYJGYCKGHY-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO Cc1ccc(C)c([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044535711 270036464 /nfs/dbraw/zinc/03/64/64/270036464.db2.gz XWBSGYJGYCKGHY-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534588 270036897 /nfs/dbraw/zinc/03/68/97/270036897.db2.gz CWXJTLXAWJUXOI-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000044534588 270036898 /nfs/dbraw/zinc/03/68/98/270036898.db2.gz CWXJTLXAWJUXOI-CZUORRHYSA-N 1 3 264.388 3.208 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227912301 270087549 /nfs/dbraw/zinc/08/75/49/270087549.db2.gz FXYRTAJTIPUMLL-COXVUDFISA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227912301 270087550 /nfs/dbraw/zinc/08/75/50/270087550.db2.gz FXYRTAJTIPUMLL-COXVUDFISA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227912291 270087655 /nfs/dbraw/zinc/08/76/55/270087655.db2.gz FXYRTAJTIPUMLL-XYPHTWIQSA-N 1 3 292.854 3.487 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227912291 270087656 /nfs/dbraw/zinc/08/76/56/270087656.db2.gz FXYRTAJTIPUMLL-XYPHTWIQSA-N 1 3 292.854 3.487 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250402890 270091432 /nfs/dbraw/zinc/09/14/32/270091432.db2.gz ZGZAPMHKCANJCD-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc(C)ccc2C)C1 ZINC000250402890 270091433 /nfs/dbraw/zinc/09/14/33/270091433.db2.gz ZGZAPMHKCANJCD-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc(C)ccc2C)C1 ZINC000250402890 270091434 /nfs/dbraw/zinc/09/14/34/270091434.db2.gz ZGZAPMHKCANJCD-HZPDHXFCSA-N 1 3 260.425 3.296 20 0 CGADHO CCC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000322480435 270093678 /nfs/dbraw/zinc/09/36/78/270093678.db2.gz SYAHMOONWMINSK-OAGGEKHMSA-N 1 3 250.430 3.172 20 0 CGADHO CC(C)(C[NH2+]Cc1ccnc2ccccc12)CN1CCCC1 ZINC000521950093 270103169 /nfs/dbraw/zinc/10/31/69/270103169.db2.gz LNQKQIVCVJRVCW-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO C[C@H](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)N1CCCCC1 ZINC000527692132 270131989 /nfs/dbraw/zinc/13/19/89/270131989.db2.gz QEQFSJNLCDGMGG-OHFALNGGSA-N 1 3 264.457 3.275 20 0 CGADHO c1cc2ccc(C[NH2+]C3CC(N4CCCCC4)C3)cc2[nH]1 ZINC000527701998 270132679 /nfs/dbraw/zinc/13/26/79/270132679.db2.gz QQUMEPDMTOAAKR-UHFFFAOYSA-N 1 3 283.419 3.274 20 0 CGADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527701201 270132692 /nfs/dbraw/zinc/13/26/92/270132692.db2.gz SVVNPGMKNMTMHP-BPUTZDHNSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527844392 270139282 /nfs/dbraw/zinc/13/92/82/270139282.db2.gz BMTDSQGOLJJOGM-QXSJWSMHSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529530361 270182519 /nfs/dbraw/zinc/18/25/19/270182519.db2.gz DYRJSDYJDNTIHW-MCIONIFRSA-N 1 3 288.426 3.378 20 0 CGADHO Cc1ccc(C[C@H]([NH2+][C@@H]2CCNC23CCC3)C2CC2)cc1 ZINC000530222089 270196516 /nfs/dbraw/zinc/19/65/16/270196516.db2.gz QEVTYBFHIBGUNF-ZWKOTPCHSA-N 1 3 284.447 3.190 20 0 CGADHO c1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCNC34CCC4)C2)cc1 ZINC000530215464 270195862 /nfs/dbraw/zinc/19/58/62/270195862.db2.gz GNCPKLVJYURQEI-IXDOHACOSA-N 1 3 270.420 3.197 20 0 CGADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000530222162 270196707 /nfs/dbraw/zinc/19/67/07/270196707.db2.gz QJZSKCWFQNJRDT-KEYYUXOJSA-N 1 3 288.435 3.061 20 0 CGADHO C[C@H](CN(C)C[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000530249276 270197453 /nfs/dbraw/zinc/19/74/53/270197453.db2.gz UOVSZMRYFASFNP-GDBMZVCRSA-N 1 3 252.446 3.134 20 0 CGADHO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000532214877 270214431 /nfs/dbraw/zinc/21/44/31/270214431.db2.gz VSLOADCTNBYXPP-HOTGVXAUSA-N 1 3 292.467 3.194 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734655 270219048 /nfs/dbraw/zinc/21/90/48/270219048.db2.gz ZPHMQQICKJSSLW-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734655 270219049 /nfs/dbraw/zinc/21/90/49/270219049.db2.gz ZPHMQQICKJSSLW-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072642 270221435 /nfs/dbraw/zinc/22/14/35/270221435.db2.gz RVKUXSLLSBVMPS-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000533072642 270221436 /nfs/dbraw/zinc/22/14/36/270221436.db2.gz RVKUXSLLSBVMPS-SJLPKXTDSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734653 270219232 /nfs/dbraw/zinc/21/92/32/270219232.db2.gz ZPHMQQICKJSSLW-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2cc(C)ccc2C)[C@H](C)C1 ZINC000532734653 270219233 /nfs/dbraw/zinc/21/92/33/270219233.db2.gz ZPHMQQICKJSSLW-AEFFLSMTSA-N 1 3 274.452 3.466 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420265459 273766931 /nfs/dbraw/zinc/76/69/31/273766931.db2.gz VHORIEOYLDOSBE-LSDHHAIUSA-N 1 3 295.430 3.151 20 0 CGADHO C(C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786017 275389891 /nfs/dbraw/zinc/38/98/91/275389891.db2.gz MBCSZWDJRCJPEM-RDJZCZTQSA-N 1 3 262.441 3.125 20 0 CGADHO C(C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786017 275389892 /nfs/dbraw/zinc/38/98/92/275389892.db2.gz MBCSZWDJRCJPEM-RDJZCZTQSA-N 1 3 262.441 3.125 20 0 CGADHO C1[C@@H]2C[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C[C@H]12 ZINC000335285964 275737050 /nfs/dbraw/zinc/73/70/50/275737050.db2.gz JURYSECRGKDMKM-MIFYACCESA-N 1 3 262.441 3.172 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432799786 276179505 /nfs/dbraw/zinc/17/95/05/276179505.db2.gz ZOFNZRBDFFJXPY-YESZJQIVSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432799786 276179507 /nfs/dbraw/zinc/17/95/07/276179507.db2.gz ZOFNZRBDFFJXPY-YESZJQIVSA-N 1 3 264.457 3.395 20 0 CGADHO CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCSC3)C2)CC1 ZINC000365868568 276198501 /nfs/dbraw/zinc/19/85/01/276198501.db2.gz BPZWOGUZFJYTLL-DLBZAZTESA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@H+](C[C@H]3CCSC3)C2)CC1 ZINC000365868568 276198503 /nfs/dbraw/zinc/19/85/03/276198503.db2.gz BPZWOGUZFJYTLL-DLBZAZTESA-N 1 3 296.524 3.183 20 0 CGADHO CC1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000365868568 276198506 /nfs/dbraw/zinc/19/85/06/276198506.db2.gz BPZWOGUZFJYTLL-DLBZAZTESA-N 1 3 296.524 3.183 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185750 276212383 /nfs/dbraw/zinc/21/23/83/276212383.db2.gz PNXOYXHSHLNBLV-WMLDXEAASA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185750 276212385 /nfs/dbraw/zinc/21/23/85/276212385.db2.gz PNXOYXHSHLNBLV-WMLDXEAASA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185750 276212386 /nfs/dbraw/zinc/21/23/86/276212386.db2.gz PNXOYXHSHLNBLV-WMLDXEAASA-N 1 3 272.436 3.340 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185733 276397861 /nfs/dbraw/zinc/39/78/61/276397861.db2.gz PNXOYXHSHLNBLV-RHSMWYFYSA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185733 276397864 /nfs/dbraw/zinc/39/78/64/276397864.db2.gz PNXOYXHSHLNBLV-RHSMWYFYSA-N 1 3 272.436 3.340 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000178185733 276397866 /nfs/dbraw/zinc/39/78/66/276397866.db2.gz PNXOYXHSHLNBLV-RHSMWYFYSA-N 1 3 272.436 3.340 20 0 CGADHO CCc1c(C)nc2ccccc2c1N1CCC[C@H]([NH2+]C)C1 ZINC000420152504 276682803 /nfs/dbraw/zinc/68/28/03/276682803.db2.gz DYZIFJBZDGYCEP-AWEZNQCLSA-N 1 3 283.419 3.294 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628834 277069569 /nfs/dbraw/zinc/06/95/69/277069569.db2.gz VLLAHMGASOPADK-FHLIZLRMSA-N 1 3 288.410 3.229 20 0 CGADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CC[C@@H]21 ZINC000178628834 277069570 /nfs/dbraw/zinc/06/95/70/277069570.db2.gz VLLAHMGASOPADK-FHLIZLRMSA-N 1 3 288.410 3.229 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000414329131 277218558 /nfs/dbraw/zinc/21/85/58/277218558.db2.gz IBIANBUDUSQERA-YHUYYLMFSA-N 1 3 294.483 3.185 20 0 CGADHO CC(C)(C)O[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000414329131 277218559 /nfs/dbraw/zinc/21/85/59/277218559.db2.gz IBIANBUDUSQERA-YHUYYLMFSA-N 1 3 294.483 3.185 20 0 CGADHO C[NH2+]CCN[C@@H](CCc1ccc(Cl)cc1)C(C)C ZINC000423227079 277272644 /nfs/dbraw/zinc/27/26/44/277272644.db2.gz UKUAFYBYFAJJAN-HNNXBMFYSA-N 1 3 268.832 3.106 20 0 CGADHO COc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000152683318 278048760 /nfs/dbraw/zinc/04/87/60/278048760.db2.gz ICZKRUOOOIXGCV-UHFFFAOYSA-N 1 3 288.435 3.003 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)N1CCCCC1 ZINC000502476719 278173939 /nfs/dbraw/zinc/17/39/39/278173939.db2.gz YOPVWUDIQFYNTQ-YYIAUSFCSA-N 1 3 264.457 3.419 20 0 CGADHO CC1(C)CCC[NH2+][C@H]1CNC1CCC(C(F)(F)F)CC1 ZINC000414930223 278223668 /nfs/dbraw/zinc/22/36/68/278223668.db2.gz PPMWBIXDINYEFE-BPCQOVAHSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@@H]1C[C@H](C)N(Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000397409180 288023478 /nfs/dbraw/zinc/02/34/78/288023478.db2.gz VDQOWMPOPVICLN-IPYPFGDCSA-N 1 3 272.392 3.238 20 0 CGADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1)CN(C)C ZINC000293259038 278284216 /nfs/dbraw/zinc/28/42/16/278284216.db2.gz BYOAGDDRARZSES-RYUDHWBXSA-N 1 3 286.366 3.136 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424367771 278297114 /nfs/dbraw/zinc/29/71/14/278297114.db2.gz NSTIDUBPCIFIAP-NILFDRSVSA-N 1 3 266.816 3.131 20 0 CGADHO CC(C)(C)C1CCC(C[N@@H+]2CC[C@@H](CN)C2)CC1 ZINC000135294595 278300640 /nfs/dbraw/zinc/30/06/40/278300640.db2.gz KFLGYLWLMXFXPX-SLTAFYQDSA-N 1 3 252.446 3.120 20 0 CGADHO CC(C)(C)C1CCC(C[N@H+]2CC[C@@H](CN)C2)CC1 ZINC000135294595 278300643 /nfs/dbraw/zinc/30/06/43/278300643.db2.gz KFLGYLWLMXFXPX-SLTAFYQDSA-N 1 3 252.446 3.120 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000420296720 278305111 /nfs/dbraw/zinc/30/51/11/278305111.db2.gz QSHOSXXVFPDXCS-BDJLRTHQSA-N 1 3 278.827 3.387 20 0 CGADHO CCC[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC1(C)C ZINC000397836775 288032086 /nfs/dbraw/zinc/03/20/86/288032086.db2.gz SRTLVSJPOPCJAX-CABCVRRESA-N 1 3 250.430 3.053 20 0 CGADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000414929891 278790113 /nfs/dbraw/zinc/79/01/13/278790113.db2.gz AAUASICANSONKN-VGWMRTNUSA-N 1 3 252.446 3.179 20 0 CGADHO C[C@@H]1C[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)[C@H](C)O1 ZINC000414256337 278964287 /nfs/dbraw/zinc/96/42/87/278964287.db2.gz COEIANRUIDVGOX-OWCLPIDISA-N 1 3 294.483 3.187 20 0 CGADHO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCCN1CCCCC1 ZINC000348249334 279077766 /nfs/dbraw/zinc/07/77/66/279077766.db2.gz WPPKFIHLIQUWHF-OLZOCXBDSA-N 1 3 278.362 3.135 20 0 CGADHO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCN1CCCCC1 ZINC000348249334 279077767 /nfs/dbraw/zinc/07/77/67/279077767.db2.gz WPPKFIHLIQUWHF-OLZOCXBDSA-N 1 3 278.362 3.135 20 0 CGADHO CCN(Cc1cc(C)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345185616 279233858 /nfs/dbraw/zinc/23/38/58/279233858.db2.gz DBXJDQLLTVOEKC-QGZVFWFLSA-N 1 3 260.425 3.267 20 0 CGADHO C[C@H](CCC1CCCCC1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414947853 279254102 /nfs/dbraw/zinc/25/41/02/279254102.db2.gz XFMKPKSZMPDLAN-IIAWOOMASA-N 1 3 252.446 3.323 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@H](C)c1nc2c(s1)CCCC2 ZINC000422909384 279255207 /nfs/dbraw/zinc/25/52/07/279255207.db2.gz FTECFAHZIVZSGK-VXGBXAGGSA-N 1 3 281.469 3.190 20 0 CGADHO C[C@H](C[NH2+][C@H]1CC[C@@H](C)c2ccccc21)CN(C)C ZINC000336819232 279353693 /nfs/dbraw/zinc/35/36/93/279353693.db2.gz YZLRNNMBVQIJPZ-CPUCHLNUSA-N 1 3 260.425 3.412 20 0 CGADHO C[C@H](CN[C@H]1CC[C@@H](C)c2ccccc21)C[NH+](C)C ZINC000336819232 279353697 /nfs/dbraw/zinc/35/36/97/279353697.db2.gz YZLRNNMBVQIJPZ-CPUCHLNUSA-N 1 3 260.425 3.412 20 0 CGADHO CC[C@H](c1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516291260 288160101 /nfs/dbraw/zinc/16/01/01/288160101.db2.gz NUBZUQPQDWNBHW-SJORKVTESA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000516291260 288160103 /nfs/dbraw/zinc/16/01/03/288160103.db2.gz NUBZUQPQDWNBHW-SJORKVTESA-N 1 3 258.409 3.213 20 0 CGADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000516291260 288160107 /nfs/dbraw/zinc/16/01/07/288160107.db2.gz NUBZUQPQDWNBHW-SJORKVTESA-N 1 3 258.409 3.213 20 0 CGADHO CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@H]1C ZINC000414825812 279995929 /nfs/dbraw/zinc/99/59/29/279995929.db2.gz HTNACFXIQUHJNV-WCVJEAGWSA-N 1 3 252.446 3.036 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000401585430 280261537 /nfs/dbraw/zinc/26/15/37/280261537.db2.gz MQONKJZPRVGMET-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO Cc1cc(C)c(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1C ZINC000414843299 280385677 /nfs/dbraw/zinc/38/56/77/280385677.db2.gz BRGYJQCTUIHIGV-HOTGVXAUSA-N 1 3 260.425 3.090 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC(F)(F)C1 ZINC000529537269 288259668 /nfs/dbraw/zinc/25/96/68/288259668.db2.gz UWAAXPIQKHCEDJ-OLZOCXBDSA-N 1 3 274.399 3.274 20 0 CGADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCNCC1 ZINC000335453896 281027552 /nfs/dbraw/zinc/02/75/52/281027552.db2.gz WYWRATIVNFZMIY-QGZVFWFLSA-N 1 3 283.419 3.195 20 0 CGADHO Cc1ccc2nccc(N3CCC[C@@H]([NH+](C)C)CC3)c2c1 ZINC000428682070 281168803 /nfs/dbraw/zinc/16/88/03/281168803.db2.gz QRFDJPHNAMKSFZ-OAHLLOKOSA-N 1 3 283.419 3.464 20 0 CGADHO Cc1ccc2nccc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000302225525 281170221 /nfs/dbraw/zinc/17/02/21/281170221.db2.gz OUFMOEMHHFWJRL-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1ccc2nccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000302225525 281170224 /nfs/dbraw/zinc/17/02/24/281170224.db2.gz OUFMOEMHHFWJRL-YJBOKZPZSA-N 1 3 295.430 3.464 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152387597 281273018 /nfs/dbraw/zinc/27/30/18/281273018.db2.gz ZCGSSSKDVZQKAC-RDTXWAMCSA-N 1 3 270.420 3.056 20 0 CGADHO Cc1cccc2c1CC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152387597 281273020 /nfs/dbraw/zinc/27/30/20/281273020.db2.gz ZCGSSSKDVZQKAC-RDTXWAMCSA-N 1 3 270.420 3.056 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459615 288362390 /nfs/dbraw/zinc/36/23/90/288362390.db2.gz PXIXUGFKIPGRJF-OWCLPIDISA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459615 288362392 /nfs/dbraw/zinc/36/23/92/288362392.db2.gz PXIXUGFKIPGRJF-OWCLPIDISA-N 1 3 296.499 3.290 20 0 CGADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000532459615 288362393 /nfs/dbraw/zinc/36/23/93/288362393.db2.gz PXIXUGFKIPGRJF-OWCLPIDISA-N 1 3 296.499 3.290 20 0 CGADHO CCC(CC)(CCO)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089055 282067041 /nfs/dbraw/zinc/06/70/41/282067041.db2.gz XFDRBCNQZCBNCK-HZPDHXFCSA-N 1 3 284.488 3.076 20 0 CGADHO C[C@H](N[C@H]1C[C@@H]1C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554376196 289278738 /nfs/dbraw/zinc/27/87/38/289278738.db2.gz IVGCDTFPXBVXHM-TUUVXOQKSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@H](N[C@H]1C[C@@H]1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554376196 289278740 /nfs/dbraw/zinc/27/87/40/289278740.db2.gz IVGCDTFPXBVXHM-TUUVXOQKSA-N 1 3 294.389 3.140 20 0 CGADHO C[C@H](CC[NH2+][C@H](C)C1CCSCC1)N1CCCCC1 ZINC000187541968 289491257 /nfs/dbraw/zinc/49/12/57/289491257.db2.gz CTXQGYDFSAIQJL-HUUCEWRRSA-N 1 3 284.513 3.372 20 0 CGADHO CCc1nc2ccccc2c(NC2CC[NH+](C)CC2)c1C ZINC000562240895 289684265 /nfs/dbraw/zinc/68/42/65/289684265.db2.gz AIAFSWITWUBYIA-UHFFFAOYSA-N 1 3 283.419 3.034 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1nccc2ccccc21 ZINC000423283392 290044124 /nfs/dbraw/zinc/04/41/24/290044124.db2.gz VZLSXJAJECYTTI-QRTARXTBSA-N 1 3 283.419 3.403 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccccc1N(C)C ZINC000246194840 290047900 /nfs/dbraw/zinc/04/79/00/290047900.db2.gz LLOBBRSVQCWDKN-HRCADAONSA-N 1 3 289.467 3.276 20 0 CGADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000423271443 295250791 /nfs/dbraw/zinc/25/07/91/295250791.db2.gz HLWGXTKTMRQJLQ-FUHWJXTLSA-N 1 3 272.436 3.041 20 0 CGADHO C[C@H](C[C@H](C)N)[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423057517 298884988 /nfs/dbraw/zinc/88/49/88/298884988.db2.gz ZKJCQMKYMZQUDK-JKSUJKDBSA-N 1 3 290.451 3.089 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423394410 302066682 /nfs/dbraw/zinc/06/66/82/302066682.db2.gz RKVBWYIPFYPVQM-CTASWTNQSA-N 1 3 258.409 3.403 20 0 CGADHO FC(F)(F)SCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261575672 303116197 /nfs/dbraw/zinc/11/61/97/303116197.db2.gz ZULZMKQOOSBKAE-QJPTWQEYSA-N 1 3 296.402 3.140 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000422790648 303400787 /nfs/dbraw/zinc/40/07/87/303400787.db2.gz PPLMTKKXLWKUQS-NPJQDHAYSA-N 1 3 250.430 3.062 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000388699424 327713519 /nfs/dbraw/zinc/71/35/19/327713519.db2.gz MTWGCVSATWBYFI-RHSMWYFYSA-N 1 3 273.424 3.219 20 0 CGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000166036090 321906777 /nfs/dbraw/zinc/90/67/77/321906777.db2.gz STUZQWPXQIOAGO-XJKSGUPXSA-N 1 3 298.858 3.347 20 0 CGADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000563484112 322000226 /nfs/dbraw/zinc/00/02/26/322000226.db2.gz YJXZDJKVTNILCS-IRXDYDNUSA-N 1 3 274.452 3.246 20 0 CGADHO CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000564973559 322052156 /nfs/dbraw/zinc/05/21/56/322052156.db2.gz LSDAUTQGUVAPMG-MSOLQXFVSA-N 1 3 292.442 3.324 20 0 CGADHO Cc1oc2ccccc2c1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565227182 322068324 /nfs/dbraw/zinc/06/83/24/322068324.db2.gz SQKCXFAIUVXLIN-ZIAGYGMSSA-N 1 3 272.392 3.143 20 0 CGADHO Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000565227182 322068327 /nfs/dbraw/zinc/06/83/27/322068327.db2.gz SQKCXFAIUVXLIN-ZIAGYGMSSA-N 1 3 272.392 3.143 20 0 CGADHO N[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000565227070 322068370 /nfs/dbraw/zinc/06/83/70/322068370.db2.gz QTVITKUZQJBJDF-JKSUJKDBSA-N 1 3 258.409 3.011 20 0 CGADHO [NH3+][C@H]1CCC[C@@H](NC2(Cc3ccccc3)CCC2)C1 ZINC000565227070 322068371 /nfs/dbraw/zinc/06/83/71/322068371.db2.gz QTVITKUZQJBJDF-JKSUJKDBSA-N 1 3 258.409 3.011 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)Cc1ccccc1 ZINC000568248389 322200653 /nfs/dbraw/zinc/20/06/53/322200653.db2.gz PMPGNABVIUUCGM-CVEARBPZSA-N 1 3 260.425 3.115 20 0 CGADHO N[C@H]1CCC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)C1 ZINC000568412925 322208704 /nfs/dbraw/zinc/20/87/04/322208704.db2.gz NSTCWRKXHZPXEL-GJZGRUSLSA-N 1 3 296.842 3.359 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC1(OC)CCC1 ZINC000568774469 322222060 /nfs/dbraw/zinc/22/20/60/322222060.db2.gz IIWHUAJMTZOZTP-IRXDYDNUSA-N 1 3 296.499 3.436 20 0 CGADHO CCc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000569765974 322256522 /nfs/dbraw/zinc/25/65/22/322256522.db2.gz BIVKOZSZUCUHOX-UHFFFAOYSA-N 1 3 289.467 3.196 20 0 CGADHO CCc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000569765974 322256523 /nfs/dbraw/zinc/25/65/23/322256523.db2.gz BIVKOZSZUCUHOX-UHFFFAOYSA-N 1 3 289.467 3.196 20 0 CGADHO CC(C)N1CC[C@H](C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000570623702 322278221 /nfs/dbraw/zinc/27/82/21/322278221.db2.gz DKFBWVRLXMTHAI-OAHLLOKOSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCOc1cccc2ccccc21 ZINC000573621577 322397609 /nfs/dbraw/zinc/39/76/09/322397609.db2.gz DXFBZQTYADEKRA-WBVHZDCISA-N 1 3 298.430 3.420 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2cccs2)C2CC2)C1 ZINC000573623745 322397903 /nfs/dbraw/zinc/39/79/03/322397903.db2.gz DZJBDAPVCWXGHA-DYEKYZERSA-N 1 3 250.411 3.059 20 0 CGADHO [NH3+]Cc1ccc(CNCc2cccc(OC(F)F)c2)cc1 ZINC000574916659 322463258 /nfs/dbraw/zinc/46/32/58/322463258.db2.gz ACTCKTBSXQNDGG-UHFFFAOYSA-N 1 3 292.329 3.037 20 0 CGADHO CC1=C[C@@H](C)C[C@@H](CN2CCC([NH2+]C(C)C)CC2)C1 ZINC000582777634 329168281 /nfs/dbraw/zinc/16/82/81/329168281.db2.gz RLCPEOBGOZZZGY-GDBMZVCRSA-N 1 3 264.457 3.441 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3occc3c2)C1 ZINC000581516186 336092706 /nfs/dbraw/zinc/09/27/06/336092706.db2.gz ZYFDAUIMZWZZLY-IAGOWNOFSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3occc3c2)C1 ZINC000581516186 336092707 /nfs/dbraw/zinc/09/27/07/336092707.db2.gz ZYFDAUIMZWZZLY-IAGOWNOFSA-N 1 3 284.403 3.349 20 0 CGADHO CCN(CC)CCC[NH2+]C1CCC(CSC)CC1 ZINC000385647403 336153339 /nfs/dbraw/zinc/15/33/39/336153339.db2.gz JHMWJTQOAXDGMH-UHFFFAOYSA-N 1 3 272.502 3.230 20 0 CGADHO CC(C)[NH+]1CCC(NC[C@@H]2CSc3ccccc32)CC1 ZINC000387339679 336192840 /nfs/dbraw/zinc/19/28/40/336192840.db2.gz GLBGNLBSTPWBEJ-CQSZACIVSA-N 1 3 290.476 3.338 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)COC2 ZINC000423393639 533924397 /nfs/dbraw/zinc/92/43/97/533924397.db2.gz QTKUBMRNSSKBMN-ZDUSSCGKSA-N 1 3 294.398 3.171 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccsc1 ZINC000423352829 533925473 /nfs/dbraw/zinc/92/54/73/533925473.db2.gz CALVMFIFZVVSNI-NSHDSACASA-N 1 3 258.390 3.202 20 0 CGADHO C[C@H](CCO)CC[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449359447 533960463 /nfs/dbraw/zinc/96/04/63/533960463.db2.gz QGTMXWKKOGYBCW-JZXOWHBKSA-N 1 3 296.499 3.028 20 0 CGADHO C[C@H](N[C@H](C[NH3+])C1CCCC1)c1cc2c(s1)CCC2 ZINC000423501068 533995157 /nfs/dbraw/zinc/99/51/57/533995157.db2.gz KXBSWUIINGXMSP-SMDDNHRTSA-N 1 3 278.465 3.405 20 0 CGADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000147885181 534002574 /nfs/dbraw/zinc/00/25/74/534002574.db2.gz GZGHZBMLUOVNFM-JKOKRWQUSA-N 1 3 252.789 3.118 20 0 CGADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cc2ccccc2s1 ZINC000422900509 534075291 /nfs/dbraw/zinc/07/52/91/534075291.db2.gz JLQGCOPLUOZFJL-IUODEOHRSA-N 1 3 274.433 3.379 20 0 CGADHO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423358808 534118143 /nfs/dbraw/zinc/11/81/43/534118143.db2.gz NWWBLZOKNXLGQY-AWEZNQCLSA-N 1 3 296.414 3.019 20 0 CGADHO CC[C@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000088296551 523897670 /nfs/dbraw/zinc/89/76/70/523897670.db2.gz GORRIDJPTSVODQ-LSDHHAIUSA-N 1 3 275.440 3.465 20 0 CGADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000049553466 524167214 /nfs/dbraw/zinc/16/72/14/524167214.db2.gz LORALXNFWPYGIS-CHWSQXEVSA-N 1 3 260.381 3.424 20 0 CGADHO CC(C)CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423325351 527810892 /nfs/dbraw/zinc/81/08/92/527810892.db2.gz BTBYZDQIFKDRHC-HZPDHXFCSA-N 1 3 252.446 3.181 20 0 CGADHO CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000423378942 527829802 /nfs/dbraw/zinc/82/98/02/527829802.db2.gz XAQDWDDUPVORQJ-FPCVCCKLSA-N 1 3 252.446 3.451 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCNC1CC1 ZINC000423561689 527842225 /nfs/dbraw/zinc/84/22/25/527842225.db2.gz PYBIBYQUAAENOG-SJORKVTESA-N 1 3 272.436 3.300 20 0 CGADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423561689 527842230 /nfs/dbraw/zinc/84/22/30/527842230.db2.gz PYBIBYQUAAENOG-SJORKVTESA-N 1 3 272.436 3.300 20 0 CGADHO CCCC(CCC)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423497934 528000151 /nfs/dbraw/zinc/00/01/51/528000151.db2.gz AMUNARLTZTUXSX-DLBZAZTESA-N 1 3 260.425 3.300 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000423265347 528164616 /nfs/dbraw/zinc/16/46/16/528164616.db2.gz CVOZRFUJOCJDBE-WMLDXEAASA-N 1 3 278.440 3.355 20 0 CGADHO CC(C)c1cccc2c1OCCC[C@@H]2NC[C@@H](C)C[NH3+] ZINC000423301461 528189245 /nfs/dbraw/zinc/18/92/45/528189245.db2.gz TVEBYNBJGGJTAW-BBRMVZONSA-N 1 3 276.424 3.208 20 0 CGADHO CC(C)C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccs1 ZINC000423322126 528571759 /nfs/dbraw/zinc/57/17/59/528571759.db2.gz NPKYXLUWEMDJDX-OLZOCXBDSA-N 1 3 252.427 3.162 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000424133850 528624597 /nfs/dbraw/zinc/62/45/97/528624597.db2.gz MUNQMVBWDYKKNX-INIZCTEOSA-N 1 3 292.471 3.066 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@H+]1CCC[C@H](C)C1 ZINC000424133850 528624604 /nfs/dbraw/zinc/62/46/04/528624604.db2.gz MUNQMVBWDYKKNX-INIZCTEOSA-N 1 3 292.471 3.066 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000424133853 528625712 /nfs/dbraw/zinc/62/57/12/528625712.db2.gz MUNQMVBWDYKKNX-MRXNPFEDSA-N 1 3 292.471 3.066 20 0 CGADHO CC(C)n1cncc1CNCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000424133853 528625718 /nfs/dbraw/zinc/62/57/18/528625718.db2.gz MUNQMVBWDYKKNX-MRXNPFEDSA-N 1 3 292.471 3.066 20 0 CGADHO CCCCO[C@H]1C[C@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000423287450 528652215 /nfs/dbraw/zinc/65/22/15/528652215.db2.gz MKLHYUBSTNDJEC-KBPBESRZSA-N 1 3 270.461 3.077 20 0 CGADHO CCCCO[C@H]1C[C@H](NCC([NH3+])(CC)CC)C1(C)C ZINC000423287450 528652221 /nfs/dbraw/zinc/65/22/21/528652221.db2.gz MKLHYUBSTNDJEC-KBPBESRZSA-N 1 3 270.461 3.077 20 0 CGADHO CC(C)[N@H+](C)CCCNC[C@H](C)c1cc(F)cc(F)c1 ZINC000449078232 528817150 /nfs/dbraw/zinc/81/71/50/528817150.db2.gz XLTMSFDLHCBMLN-ZDUSSCGKSA-N 1 3 284.394 3.388 20 0 CGADHO CC(C)[N@@H+](C)CCCNC[C@H](C)c1cc(F)cc(F)c1 ZINC000449078232 528817156 /nfs/dbraw/zinc/81/71/56/528817156.db2.gz XLTMSFDLHCBMLN-ZDUSSCGKSA-N 1 3 284.394 3.388 20 0 CGADHO CC(C)N(C)CCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449078232 528817160 /nfs/dbraw/zinc/81/71/60/528817160.db2.gz XLTMSFDLHCBMLN-ZDUSSCGKSA-N 1 3 284.394 3.388 20 0 CGADHO CCCC[C@@H](C[NH3+])N[C@H](C)Cc1coc2ccccc12 ZINC000423302897 528822349 /nfs/dbraw/zinc/82/23/49/528822349.db2.gz WFNIOQMUIWYEMA-HIFRSBDPSA-N 1 3 274.408 3.471 20 0 CGADHO CC(C)[C@H](CN1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427099259 528995124 /nfs/dbraw/zinc/99/51/24/528995124.db2.gz GXJOCIQKHXLOGO-BZSNNMDCSA-N 1 3 272.436 3.110 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000436280538 529050911 /nfs/dbraw/zinc/05/09/11/529050911.db2.gz KZZMMPJMVDATIQ-KRWDZBQOSA-N 1 3 296.499 3.295 20 0 CGADHO CC[C@@H](NCCC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423572025 529159953 /nfs/dbraw/zinc/15/99/53/529159953.db2.gz YCZHXMPNBUGGQX-MRXNPFEDSA-N 1 3 280.362 3.315 20 0 CGADHO CC[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000423256911 529167722 /nfs/dbraw/zinc/16/77/22/529167722.db2.gz GPIUTRYCHCBQRH-BLLLJJGKSA-N 1 3 282.378 3.395 20 0 CGADHO CC[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CCC1 ZINC000449223312 529185230 /nfs/dbraw/zinc/18/52/30/529185230.db2.gz XRHLSQFKMMIVDH-QGZVFWFLSA-N 1 3 260.425 3.417 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CCc2ccc(Cl)cc2)CC1 ZINC000450855109 536138631 /nfs/dbraw/zinc/13/86/31/536138631.db2.gz LOTVDPQGOJSTON-INIZCTEOSA-N 1 3 280.843 3.299 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)CC1 ZINC000450855109 536138633 /nfs/dbraw/zinc/13/86/33/536138633.db2.gz LOTVDPQGOJSTON-INIZCTEOSA-N 1 3 280.843 3.299 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC000450855109 536138636 /nfs/dbraw/zinc/13/86/36/536138636.db2.gz LOTVDPQGOJSTON-INIZCTEOSA-N 1 3 280.843 3.299 20 0 CGADHO C[N@@H+]1CCC[C@H](CCNCc2cnc(C3CCC3)s2)C1 ZINC000459723016 536384158 /nfs/dbraw/zinc/38/41/58/536384158.db2.gz CITONZILTDSPIX-CYBMUJFWSA-N 1 3 293.480 3.232 20 0 CGADHO C[N@H+]1CCC[C@H](CCNCc2cnc(C3CCC3)s2)C1 ZINC000459723016 536384160 /nfs/dbraw/zinc/38/41/60/536384160.db2.gz CITONZILTDSPIX-CYBMUJFWSA-N 1 3 293.480 3.232 20 0 CGADHO C[C@H](N[C@H]1CSc2ccccc21)C1CC[NH+](C)CC1 ZINC000396424315 572484470 /nfs/dbraw/zinc/48/44/70/572484470.db2.gz BULCDWCACURTRT-WFASDCNBSA-N 1 3 276.449 3.153 20 0 CGADHO c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)co1 ZINC000093769346 617811286 /nfs/dbraw/zinc/81/12/86/617811286.db2.gz AOBFQOPZQWQSHY-UHFFFAOYSA-N 1 3 276.424 3.368 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106395 618535877 /nfs/dbraw/zinc/53/58/77/618535877.db2.gz UWPDSXRGXCIPOQ-CRAIPNDOSA-N 1 3 290.451 3.166 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)cc2C)[C@H](C)C1 ZINC000892106395 618535889 /nfs/dbraw/zinc/53/58/89/618535889.db2.gz UWPDSXRGXCIPOQ-CRAIPNDOSA-N 1 3 290.451 3.166 20 0 CGADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000235462779 618677336 /nfs/dbraw/zinc/67/73/36/618677336.db2.gz GICZHZBXQIKWTF-APIJFGDWSA-N 1 3 293.480 3.147 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@@H+]1CCCC[C@H]1C ZINC000892585903 618868066 /nfs/dbraw/zinc/86/80/66/618868066.db2.gz YVCBZQREUJDTPX-CQSZACIVSA-N 1 3 293.455 3.290 20 0 CGADHO CCc1onc(C)c1CNCCCC[N@H+]1CCCC[C@H]1C ZINC000892585903 618868067 /nfs/dbraw/zinc/86/80/67/618868067.db2.gz YVCBZQREUJDTPX-CQSZACIVSA-N 1 3 293.455 3.290 20 0 CGADHO CCCSC[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000893322964 619094449 /nfs/dbraw/zinc/09/44/49/619094449.db2.gz YYVGAWZMZRRUDY-GFCCVEGCSA-N 1 3 272.502 3.417 20 0 CGADHO CC(F)(F)C(C)(C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925736186 619210713 /nfs/dbraw/zinc/21/07/13/619210713.db2.gz ZQWQWAJZIZCRCE-ZIAGYGMSSA-N 1 3 288.426 3.426 20 0 CGADHO CC[C@H](NCC[C@H]1CCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925736767 619210909 /nfs/dbraw/zinc/21/09/09/619210909.db2.gz ORLLSGBHJMURHZ-HZSPNIEDSA-N 1 3 274.399 3.322 20 0 CGADHO CC[C@@H](N[C@H](C)C1C[NH2+]C1)c1cccc2ccccc21 ZINC000925780170 619242660 /nfs/dbraw/zinc/24/26/60/619242660.db2.gz SAYONKKGTOVIHP-FZKQIMNGSA-N 1 3 268.404 3.488 20 0 CGADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1C ZINC000925787061 619248245 /nfs/dbraw/zinc/24/82/45/619248245.db2.gz ZEUSDLKDZJPVLW-ZIAGYGMSSA-N 1 3 282.378 3.199 20 0 CGADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925803250 619255264 /nfs/dbraw/zinc/25/52/64/619255264.db2.gz WJWBCNDVUGOKFQ-VPUQZLMGSA-N 1 3 294.508 3.027 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494173 619555550 /nfs/dbraw/zinc/55/55/50/619555550.db2.gz CVXLFFLITWFEHD-ZIFCJYIRSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCc3ccccc32)C1 ZINC000894494173 619555554 /nfs/dbraw/zinc/55/55/54/619555554.db2.gz CVXLFFLITWFEHD-ZIFCJYIRSA-N 1 3 284.447 3.133 20 0 CGADHO CN1CCC[C@]2(CC[N@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860006 619656425 /nfs/dbraw/zinc/65/64/25/619656425.db2.gz SIXQJNBGXDPUKO-CJISVDGZSA-N 1 3 288.410 3.257 20 0 CGADHO CN1CCC[C@]2(CC[N@@H+](C/C=C\c3cccc(F)c3)C2)C1 ZINC000894860006 619656430 /nfs/dbraw/zinc/65/64/30/619656430.db2.gz SIXQJNBGXDPUKO-CJISVDGZSA-N 1 3 288.410 3.257 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)N(C)C ZINC000895294477 619797646 /nfs/dbraw/zinc/79/76/46/619797646.db2.gz QEKWMCPYDDPHIK-DJIMGWMZSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@H](CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)N(C)C ZINC000895294479 619797805 /nfs/dbraw/zinc/79/78/05/619797805.db2.gz QEKWMCPYDDPHIK-OIISXLGYSA-N 1 3 260.425 3.253 20 0 CGADHO C[C@H](CC[NH2+]Cc1cc(Cl)cc2cccnc21)N(C)C ZINC000895298453 619798878 /nfs/dbraw/zinc/79/88/78/619798878.db2.gz WLVVINNVENKXEF-GFCCVEGCSA-N 1 3 291.826 3.318 20 0 CGADHO C[NH+](C)CC[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccnc1 ZINC000896716237 620051203 /nfs/dbraw/zinc/05/12/03/620051203.db2.gz GKDFZPXEPHHHRG-ATLSCFEFSA-N 1 3 287.451 3.100 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144099 620179933 /nfs/dbraw/zinc/17/99/33/620179933.db2.gz UAWSVWOFQNMASN-JKIFEVAISA-N 1 3 290.451 3.047 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925144099 620179936 /nfs/dbraw/zinc/17/99/36/620179936.db2.gz UAWSVWOFQNMASN-JKIFEVAISA-N 1 3 290.451 3.047 20 0 CGADHO C[C@@H](NCCCCCCC[NH+]1CCCC1)c1ccn(C)n1 ZINC000840720511 620191691 /nfs/dbraw/zinc/19/16/91/620191691.db2.gz PDKYWAWNQYRZNZ-MRXNPFEDSA-N 1 3 292.471 3.117 20 0 CGADHO C[C@H]1C[C@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@@H+]1C ZINC000926972933 620557394 /nfs/dbraw/zinc/55/73/94/620557394.db2.gz IVXOJHQIABSODT-LCGIIJARSA-N 1 3 294.389 3.108 20 0 CGADHO C[C@H]1C[C@H](NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[N@H+]1C ZINC000926972933 620557396 /nfs/dbraw/zinc/55/73/96/620557396.db2.gz IVXOJHQIABSODT-LCGIIJARSA-N 1 3 294.389 3.108 20 0 CGADHO [NH3+]C1(CN[C@@H](c2cccs2)C2CCCC2)CC1 ZINC000902413094 621322211 /nfs/dbraw/zinc/32/22/11/621322211.db2.gz IGDQXSMVIJUGLM-CYBMUJFWSA-N 1 3 250.411 3.060 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902450302 621329384 /nfs/dbraw/zinc/32/93/84/621329384.db2.gz COWIDWHJQHGHQD-GXTWGEPZSA-N 1 3 273.424 3.222 20 0 CGADHO c1ccc([C@H]2CCC[C@@H]([NH2+]C3CCNCC3)CC2)cc1 ZINC000902452579 621331134 /nfs/dbraw/zinc/33/11/34/621331134.db2.gz LNWJJLYYJKJACB-DLBZAZTESA-N 1 3 272.436 3.445 20 0 CGADHO Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3N4)C2)c1 ZINC000902462358 621337243 /nfs/dbraw/zinc/33/72/43/621337243.db2.gz VEWBLJQSFZCXJP-USACIQFYSA-N 1 3 290.838 3.459 20 0 CGADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903055706 621545528 /nfs/dbraw/zinc/54/55/28/621545528.db2.gz JVRBMAIDJVKHSP-ZNXRZULTSA-N 1 3 288.410 3.116 20 0 CGADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903055706 621545531 /nfs/dbraw/zinc/54/55/31/621545531.db2.gz JVRBMAIDJVKHSP-ZNXRZULTSA-N 1 3 288.410 3.116 20 0 CGADHO CC[C@@H]1CCC[C@H]1N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379934 621722679 /nfs/dbraw/zinc/72/26/79/621722679.db2.gz JCFWJZCKGUOIBT-OIISXLGYSA-N 1 3 275.440 3.243 20 0 CGADHO CCC(C)(C)[C@@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381801 621724248 /nfs/dbraw/zinc/72/42/48/621724248.db2.gz YWRJEGDNOGPLDA-GDBMZVCRSA-N 1 3 277.456 3.489 20 0 CGADHO C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CCCC1 ZINC000903383552 621724774 /nfs/dbraw/zinc/72/47/74/621724774.db2.gz NLASTNOFNZJNAB-YOEHRIQHSA-N 1 3 275.440 3.243 20 0 CGADHO CCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC000903430767 621743859 /nfs/dbraw/zinc/74/38/59/621743859.db2.gz ALBGTFMAUZHXBX-IPYPFGDCSA-N 1 3 264.388 3.064 20 0 CGADHO C[C@H](NC/C=C/Cl)c1cccc(C[NH+](C)C)c1 ZINC000903446556 621758225 /nfs/dbraw/zinc/75/82/25/621758225.db2.gz YLMDODNNJIOAMJ-ZCRIDZFUSA-N 1 3 252.789 3.151 20 0 CGADHO c1cc2ccc(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2[nH]1 ZINC000903454370 621761494 /nfs/dbraw/zinc/76/14/94/621761494.db2.gz ZCOYZZKLQRGLDN-AEFFLSMTSA-N 1 3 283.419 3.132 20 0 CGADHO CCSc1cccc(CNCCC(C)(C)[NH3+])c1 ZINC000903939870 621838551 /nfs/dbraw/zinc/83/85/51/621838551.db2.gz PLMNMPNEEMKPCM-UHFFFAOYSA-N 1 3 252.427 3.016 20 0 CGADHO C(CN[C@H]1C[NH2+]CC2(CCOCC2)C1)CC1CCCCC1 ZINC000903970459 621843740 /nfs/dbraw/zinc/84/37/40/621843740.db2.gz XKZQGQTUHWESTM-QGZVFWFLSA-N 1 3 294.483 3.095 20 0 CGADHO [NH3+][C@H]1C[C@@H](CN2CCSC[C@H]2c2ccc(Cl)cc2)C1 ZINC000904322504 621905604 /nfs/dbraw/zinc/90/56/04/621905604.db2.gz YTAQDKYXHXCUJK-GLQYFDAESA-N 1 3 296.867 3.167 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000921688722 625839473 /nfs/dbraw/zinc/83/94/73/625839473.db2.gz CLGYTBUJCWNAQY-BZUAXINKSA-N 1 3 284.513 3.371 20 0 CGADHO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000922269328 625992164 /nfs/dbraw/zinc/99/21/64/625992164.db2.gz MPMKFHYQWGWOHF-BRWVUGGUSA-N 1 3 296.524 3.372 20 0 CGADHO C[NH+](C)CC[C@H](NC[C@@H]1CC=CCC1)c1cccnc1 ZINC000922629074 626022230 /nfs/dbraw/zinc/02/22/30/626022230.db2.gz HSBASWYPWWPDBR-WBVHZDCISA-N 1 3 273.424 3.020 20 0 CGADHO c1ccc(CSCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000754785220 626587298 /nfs/dbraw/zinc/58/72/98/626587298.db2.gz JRUCVGJSUVYPGJ-DLBZAZTESA-N 1 3 290.476 3.136 20 0 CGADHO c1ccc(CSCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754785220 626587301 /nfs/dbraw/zinc/58/73/01/626587301.db2.gz JRUCVGJSUVYPGJ-DLBZAZTESA-N 1 3 290.476 3.136 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CSC(C)(C)C ZINC000764807481 627225944 /nfs/dbraw/zinc/22/59/44/627225944.db2.gz WETAGQWIJBIECV-ZDUSSCGKSA-N 1 3 260.491 3.227 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@@H](C)CSC(C)(C)C ZINC000764807481 627225947 /nfs/dbraw/zinc/22/59/47/627225947.db2.gz WETAGQWIJBIECV-ZDUSSCGKSA-N 1 3 260.491 3.227 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000764807481 627225949 /nfs/dbraw/zinc/22/59/49/627225949.db2.gz WETAGQWIJBIECV-ZDUSSCGKSA-N 1 3 260.491 3.227 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCC[N@@H+]1CCC[C@H]1C)CCC2 ZINC000766267713 627308272 /nfs/dbraw/zinc/30/82/72/627308272.db2.gz ILFBTQZKSCJIAP-KDOFPFPSSA-N 1 3 288.435 3.147 20 0 CGADHO COc1ccc2c(c1)[C@@H](NCC[N@H+]1CCC[C@H]1C)CCC2 ZINC000766267713 627308274 /nfs/dbraw/zinc/30/82/74/627308274.db2.gz ILFBTQZKSCJIAP-KDOFPFPSSA-N 1 3 288.435 3.147 20 0 CGADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000777130881 628251596 /nfs/dbraw/zinc/25/15/96/628251596.db2.gz XVSBJNLLTYXGMS-HALDLXJZSA-N 1 3 264.457 3.418 20 0 CGADHO C[NH+]1CCC(CN[C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000779401301 628411010 /nfs/dbraw/zinc/41/10/10/628411010.db2.gz SVBWHMBVFYULAD-IBGZPJMESA-N 1 3 295.430 3.102 20 0 CGADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2ccon2)CC1 ZINC000796790543 629834903 /nfs/dbraw/zinc/83/49/03/629834903.db2.gz RRBPVPXIOZNAPJ-UHFFFAOYSA-N 1 3 299.418 3.207 20 0 CGADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2ccon2)CC1 ZINC000796790543 629834905 /nfs/dbraw/zinc/83/49/05/629834905.db2.gz RRBPVPXIOZNAPJ-UHFFFAOYSA-N 1 3 299.418 3.207 20 0 CGADHO Cc1cccc(C)c1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817908608 632233937 /nfs/dbraw/zinc/23/39/37/632233937.db2.gz SYNIVQZSPJZVJV-KBAYOESNSA-N 1 3 272.436 3.314 20 0 CGADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(F)cc1 ZINC000817948339 632245495 /nfs/dbraw/zinc/24/54/95/632245495.db2.gz YAMGMYPTVIIXAS-ZDUSSCGKSA-N 1 3 272.367 3.178 20 0 CGADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000817983396 632273224 /nfs/dbraw/zinc/27/32/24/632273224.db2.gz BWHLNXPUBLNFES-IJEWVQPXSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccccn1 ZINC000866341813 633088121 /nfs/dbraw/zinc/08/81/21/633088121.db2.gz ZVJSJZDJMNHJRY-KRWDZBQOSA-N 1 3 289.467 3.490 20 0 CGADHO CCn1ccnc1[C@@H](C)NCCC1CC[NH+](C(C)C)CC1 ZINC000866469950 633147790 /nfs/dbraw/zinc/14/77/90/633147790.db2.gz QGSGWMBDHKEHCA-OAHLLOKOSA-N 1 3 292.471 3.064 20 0 CGADHO CCC[NH+]1CCC(N[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000866606929 633209891 /nfs/dbraw/zinc/20/98/91/633209891.db2.gz LDLCIKMFBHOCRO-ZIAGYGMSSA-N 1 3 290.373 3.348 20 0 CGADHO CCN(CC)CCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279714 634098067 /nfs/dbraw/zinc/09/80/67/634098067.db2.gz HGFKFSAVNXJWJL-KRWDZBQOSA-N 1 3 282.472 3.142 20 0 CGADHO CCN(CC)CCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279714 634098073 /nfs/dbraw/zinc/09/80/73/634098073.db2.gz HGFKFSAVNXJWJL-KRWDZBQOSA-N 1 3 282.472 3.142 20 0 CGADHO CC(C)(CNCc1cccc2ncccc12)C[NH+]1CCCC1 ZINC000873114243 634248480 /nfs/dbraw/zinc/24/84/80/634248480.db2.gz ZKECNHKMYNTUGI-UHFFFAOYSA-N 1 3 297.446 3.446 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211549 634285763 /nfs/dbraw/zinc/28/57/63/634285763.db2.gz BWOITYPCGJCIJF-RISCZKNCSA-N 1 3 264.438 3.062 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000873244520 634298052 /nfs/dbraw/zinc/29/80/52/634298052.db2.gz MHVRTEJDBQSRNP-WLLUSJSYSA-N 1 3 287.451 3.468 20 0 CGADHO CC(C)c1nc([C@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000873263068 634309083 /nfs/dbraw/zinc/30/90/83/634309083.db2.gz FGVGPVULGULJKD-FQUUOJAGSA-N 1 3 293.480 3.448 20 0 CGADHO C[C@H]1C[C@@H](CN2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000877795045 635205471 /nfs/dbraw/zinc/20/54/71/635205471.db2.gz WWZMGEFKMMSQIN-IRXDYDNUSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1nc2sccn2c1CN(C)CCCCCCC[NH3+] ZINC000842476578 635379325 /nfs/dbraw/zinc/37/93/25/635379325.db2.gz RSLIMGAOMASLLO-UHFFFAOYSA-N 1 3 294.468 3.045 20 0 CGADHO [NH3+]C1CCC(NCc2csc(-c3ccsc3)n2)CC1 ZINC000843105437 635558432 /nfs/dbraw/zinc/55/84/32/635558432.db2.gz FGTPQTMJAFZWFC-UHFFFAOYSA-N 1 3 293.461 3.231 20 0 CGADHO CC[C@](C)(NCCCCCCC[NH3+])c1nccs1 ZINC000844221640 635832900 /nfs/dbraw/zinc/83/29/00/635832900.db2.gz QIFOUCQXCNNBAM-AWEZNQCLSA-N 1 3 269.458 3.267 20 0 CGADHO CN(C)C1(CNC(=[NH2+])Nc2ccccc2)CCCCCC1 ZINC000848982212 636704094 /nfs/dbraw/zinc/70/40/94/636704094.db2.gz OORRHVMUIWBGDW-UHFFFAOYSA-N 1 3 288.439 3.277 20 0 CGADHO CCCCCCNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000849064462 636737584 /nfs/dbraw/zinc/73/75/84/636737584.db2.gz CEAOLTIYJXWILM-RDJZCZTQSA-N 1 3 296.503 3.191 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439373 636756806 /nfs/dbraw/zinc/75/68/06/636756806.db2.gz PUYZQVCBMWVXSL-NVXWUHKLSA-N 1 3 294.483 3.175 20 0 CGADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439373 636756808 /nfs/dbraw/zinc/75/68/08/636756808.db2.gz PUYZQVCBMWVXSL-NVXWUHKLSA-N 1 3 294.483 3.175 20 0 CGADHO c1cc(CN2CCC(C[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)ccn1 ZINC000850514654 637099253 /nfs/dbraw/zinc/09/92/53/637099253.db2.gz OPBCENSTRHRAOG-RTBURBONSA-N 1 3 299.462 3.072 20 0 CGADHO CO[C@@H]1CC[C@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000851750409 637492619 /nfs/dbraw/zinc/49/26/19/637492619.db2.gz FDEBHBFZEXPIPE-FGTMMUONSA-N 1 3 294.483 3.142 20 0 CGADHO Cc1csc(CNC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886498701 637543805 /nfs/dbraw/zinc/54/38/05/637543805.db2.gz NDXWBVULKUEGBA-UHFFFAOYSA-N 1 3 293.480 3.338 20 0 CGADHO C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000222057415 637774503 /nfs/dbraw/zinc/77/45/03/637774503.db2.gz VQTQRHRSSQJKCM-LSDHHAIUSA-N 1 3 278.415 3.078 20 0 CGADHO Cc1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000924698085 638390866 /nfs/dbraw/zinc/39/08/66/638390866.db2.gz VMYWHTHJVLMHIT-OAHLLOKOSA-N 1 3 283.419 3.302 20 0 CGADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)CN1CCCCC1 ZINC000924723368 638395227 /nfs/dbraw/zinc/39/52/27/638395227.db2.gz YDESCNLPAJHERU-KURKYZTESA-N 1 3 296.499 3.029 20 0 CGADHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000924954147 638429331 /nfs/dbraw/zinc/42/93/31/638429331.db2.gz FSNANLVVPNRYPH-CYBMUJFWSA-N 1 3 294.414 3.304 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000924958745 638430995 /nfs/dbraw/zinc/43/09/95/638430995.db2.gz HHTWKGKQULAEBI-FGTMMUONSA-N 1 3 296.499 3.028 20 0 CGADHO Cc1ccc(OCCCC[NH2+][C@H]2CCNC23CCC3)cc1 ZINC000925563769 638530724 /nfs/dbraw/zinc/53/07/24/638530724.db2.gz WBLACQZEDDULPA-KRWDZBQOSA-N 1 3 288.435 3.028 20 0 CGADHO C[C@@H](N[C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccc[nH]1 ZINC000925646103 638556415 /nfs/dbraw/zinc/55/64/15/638556415.db2.gz SQLRVKSXMVUHNA-UONOGXRCSA-N 1 3 271.408 3.488 20 0 CGADHO CC(C)=CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925655414 638557771 /nfs/dbraw/zinc/55/77/71/638557771.db2.gz ARHAVTPOCJSWKQ-HZPDHXFCSA-N 1 3 250.430 3.101 20 0 CGADHO FC1(F)CCCC[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925672646 638565024 /nfs/dbraw/zinc/56/50/24/638565024.db2.gz JGMNJALCQBDOBN-CHWSQXEVSA-N 1 3 272.383 3.076 20 0 CGADHO C1=C(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CCCC1 ZINC000925682076 638567159 /nfs/dbraw/zinc/56/71/59/638567159.db2.gz ZWWZQHJEVFMSIM-IRXDYDNUSA-N 1 3 262.441 3.245 20 0 CGADHO C1=C(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925682076 638567167 /nfs/dbraw/zinc/56/71/67/638567167.db2.gz ZWWZQHJEVFMSIM-IRXDYDNUSA-N 1 3 262.441 3.245 20 0 CGADHO CCC1([NH3+])CCN([C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000925758985 638599308 /nfs/dbraw/zinc/59/93/08/638599308.db2.gz JHQWOJQRFCRTDF-KRWDZBQOSA-N 1 3 288.435 3.276 20 0 CGADHO CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CNCCC2(F)F)C1 ZINC000925780997 638611960 /nfs/dbraw/zinc/61/19/60/638611960.db2.gz HAHSUMLHDQKBNJ-DGCLKSJQSA-N 1 3 298.377 3.128 20 0 CGADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805473 638618239 /nfs/dbraw/zinc/61/82/39/638618239.db2.gz TZAKNGPZPKBFJW-RDJZCZTQSA-N 1 3 272.436 3.215 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1(Cl)CC1 ZINC000926119887 638712582 /nfs/dbraw/zinc/71/25/82/638712582.db2.gz RKOAFUYVGCZRLR-BFHYXJOUSA-N 1 3 284.875 3.389 20 0 CGADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1(Cl)CC1 ZINC000926119887 638712592 /nfs/dbraw/zinc/71/25/92/638712592.db2.gz RKOAFUYVGCZRLR-BFHYXJOUSA-N 1 3 284.875 3.389 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H]1CCCC[N@@H+](C)C1 ZINC000858490314 638741543 /nfs/dbraw/zinc/74/15/43/638741543.db2.gz GEIAUFOBKFIYIB-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H]1CCCC[N@H+](C)C1 ZINC000858490314 638741547 /nfs/dbraw/zinc/74/15/47/638741547.db2.gz GEIAUFOBKFIYIB-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490314 638741550 /nfs/dbraw/zinc/74/15/50/638741550.db2.gz GEIAUFOBKFIYIB-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000926771255 638809421 /nfs/dbraw/zinc/80/94/21/638809421.db2.gz NVUPMKNMHLKWKB-FUNVUKJBSA-N 1 3 290.373 3.039 20 0 CGADHO CC(C)CC[NH+]1CCC(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000926827023 638815837 /nfs/dbraw/zinc/81/58/37/638815837.db2.gz UAPWAKGMBCVCBD-NJAFHUGGSA-N 1 3 294.483 3.044 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000926897264 638822675 /nfs/dbraw/zinc/82/26/75/638822675.db2.gz HEGCTHZODXBNMS-GZBFAFLISA-N 1 3 264.388 3.267 20 0 CGADHO Cc1cc(F)ccc1[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000926897264 638822676 /nfs/dbraw/zinc/82/26/76/638822676.db2.gz HEGCTHZODXBNMS-GZBFAFLISA-N 1 3 264.388 3.267 20 0 CGADHO CCCC[N@H+](C[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033438 639100650 /nfs/dbraw/zinc/10/06/50/639100650.db2.gz RXALSBADNHSAEI-OAHLLOKOSA-N 1 3 296.499 3.434 20 0 CGADHO CCCC[N@@H+](C[C@H]1CCOC1)C1CC(C)(C)NC(C)(C)C1 ZINC000931033438 639100655 /nfs/dbraw/zinc/10/06/55/639100655.db2.gz RXALSBADNHSAEI-OAHLLOKOSA-N 1 3 296.499 3.434 20 0 CGADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000931700325 639191491 /nfs/dbraw/zinc/19/14/91/639191491.db2.gz NMWJEMRDHDBECF-MRXNPFEDSA-N 1 3 292.467 3.038 20 0 CGADHO Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000932563581 639354245 /nfs/dbraw/zinc/35/42/45/639354245.db2.gz IBSLOSUGZRHOQR-ZFWWWQNUSA-N 1 3 264.388 3.269 20 0 CGADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC001253206942 806183000 /nfs/dbraw/zinc/18/30/00/806183000.db2.gz UMTULCBUTRGWGX-IRXDYDNUSA-N 1 3 292.467 3.066 20 0 CGADHO CN1CCC[C@@H]([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001254515577 806437067 /nfs/dbraw/zinc/43/70/67/806437067.db2.gz YRGPWCWCLRUICA-HIFRSBDPSA-N 1 3 294.826 3.238 20 0 CGADHO C[NH+](C)CC[C@@H](NC1Cc2ccccc2C1)c1ccccc1 ZINC001255012312 806524646 /nfs/dbraw/zinc/52/46/46/806524646.db2.gz WIICAYXDWQRTIO-HXUWFJFHSA-N 1 3 294.442 3.436 20 0 CGADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399395 806633184 /nfs/dbraw/zinc/63/31/84/806633184.db2.gz REFPQJJBVGICAG-NXHRZFHOSA-N 1 3 290.426 3.331 20 0 CGADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C[C@@H]1F ZINC001255399395 806633186 /nfs/dbraw/zinc/63/31/86/806633186.db2.gz REFPQJJBVGICAG-NXHRZFHOSA-N 1 3 290.426 3.331 20 0 CGADHO C[C@@H](CC(F)(F)F)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001255641254 806689468 /nfs/dbraw/zinc/68/94/68/806689468.db2.gz XOWNTJQGPDWQMF-NSHDSACASA-N 1 3 278.362 3.181 20 0 CGADHO CC(C)(C)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000037786346 798874982 /nfs/dbraw/zinc/87/49/82/798874982.db2.gz WSJXKIFVVXVGNC-UHFFFAOYSA-N 1 3 252.446 3.419 20 0 CGADHO Cc1ccccc1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000037786297 798875083 /nfs/dbraw/zinc/87/50/83/798875083.db2.gz JHCTXNQSIUDFSW-UHFFFAOYSA-N 1 3 260.425 3.348 20 0 CGADHO CC[C@@H]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000092899014 798959873 /nfs/dbraw/zinc/95/98/73/798959873.db2.gz QSADUEKWSCEQJD-ZBFHGGJFSA-N 1 3 250.430 3.125 20 0 CGADHO CC[C@@H]1CC[C@H]([NH+]2CCC(N3CCCC3)CC2)C1 ZINC000092899014 798959878 /nfs/dbraw/zinc/95/98/78/798959878.db2.gz QSADUEKWSCEQJD-ZBFHGGJFSA-N 1 3 250.430 3.125 20 0 CGADHO Cc1[nH]c2ccccc2c1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000388853403 799456694 /nfs/dbraw/zinc/45/66/94/799456694.db2.gz JDKUJBHVLDWTCX-OAHLLOKOSA-N 1 3 297.446 3.440 20 0 CGADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)c2ccccc21 ZINC000423109555 799598378 /nfs/dbraw/zinc/59/83/78/799598378.db2.gz HQRLYRFPKWUGGZ-ZTFGCOKTSA-N 1 3 294.398 3.115 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000693738053 799813679 /nfs/dbraw/zinc/81/36/79/799813679.db2.gz KWKVMVYLHDKNOU-VYDRJRHOSA-N 1 3 282.497 3.027 20 0 CGADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000699716578 799865376 /nfs/dbraw/zinc/86/53/76/799865376.db2.gz UUVZOOOAOIVEDQ-FRRDWIJNSA-N 1 3 288.426 3.424 20 0 CGADHO CC[NH+](CC)CC[C@H](C)NCCc1ccc(OC)cc1F ZINC001255950794 806795524 /nfs/dbraw/zinc/79/55/24/806795524.db2.gz LLKFVACNGAYUCV-AWEZNQCLSA-N 1 3 296.430 3.087 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(OC)cc1F ZINC001255950794 806795529 /nfs/dbraw/zinc/79/55/29/806795529.db2.gz LLKFVACNGAYUCV-AWEZNQCLSA-N 1 3 296.430 3.087 20 0 CGADHO C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)[C@@H]1CCN ZINC000709756509 800016992 /nfs/dbraw/zinc/01/69/92/800016992.db2.gz UZIHMCIWONSPBU-QLFBSQMISA-N 1 3 282.472 3.029 20 0 CGADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)[C@@H]1CCN ZINC000709756509 800016998 /nfs/dbraw/zinc/01/69/98/800016998.db2.gz UZIHMCIWONSPBU-QLFBSQMISA-N 1 3 282.472 3.029 20 0 CGADHO CCC1CCC([N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000709788444 800019475 /nfs/dbraw/zinc/01/94/75/800019475.db2.gz CTXQXILDLZUGKQ-UYSNPLJNSA-N 1 3 250.430 3.031 20 0 CGADHO CCC1CCC([N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000709788444 800019482 /nfs/dbraw/zinc/01/94/82/800019482.db2.gz CTXQXILDLZUGKQ-UYSNPLJNSA-N 1 3 250.430 3.031 20 0 CGADHO CC(C)(CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709847825 800020098 /nfs/dbraw/zinc/02/00/98/800020098.db2.gz CTXNCEFOSATIHA-GOSISDBHSA-N 1 3 272.436 3.040 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709992910 800025604 /nfs/dbraw/zinc/02/56/04/800025604.db2.gz RELJTSCJGWJTHV-RHSMWYFYSA-N 1 3 292.854 3.347 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709992915 800026143 /nfs/dbraw/zinc/02/61/43/800026143.db2.gz RELJTSCJGWJTHV-YOEHRIQHSA-N 1 3 292.854 3.347 20 0 CGADHO CN(CCCCCC[NH3+])Cc1cccnc1C(F)(F)F ZINC000710832023 800041085 /nfs/dbraw/zinc/04/10/85/800041085.db2.gz GESMVTYOKLERTN-UHFFFAOYSA-N 1 3 289.345 3.051 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000715509328 800136690 /nfs/dbraw/zinc/13/66/90/800136690.db2.gz YKTODNOUMITESM-HUUCEWRRSA-N 1 3 252.446 3.418 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000715558525 800138461 /nfs/dbraw/zinc/13/84/61/800138461.db2.gz OOAUHKRULXFMHZ-QWHCGFSZSA-N 1 3 260.372 3.027 20 0 CGADHO COc1ccccc1CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256558473 806914982 /nfs/dbraw/zinc/91/49/82/806914982.db2.gz SIBYSFQVXQPDMC-UHFFFAOYSA-N 1 3 290.451 3.090 20 0 CGADHO COc1ccccc1CCNC1CC[NH+](C(C)(C)C)CC1 ZINC001256558473 806914985 /nfs/dbraw/zinc/91/49/85/806914985.db2.gz SIBYSFQVXQPDMC-UHFFFAOYSA-N 1 3 290.451 3.090 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256782017 806976223 /nfs/dbraw/zinc/97/62/23/806976223.db2.gz KEGBSPKFQLUHGN-QZTJIDSGSA-N 1 3 290.451 3.228 20 0 CGADHO CC1CCN(CCC[NH2+]CCc2ccc(F)cc2)CC1 ZINC001116501768 802366139 /nfs/dbraw/zinc/36/61/39/802366139.db2.gz JBEZTTQSRVPPER-UHFFFAOYSA-N 1 3 278.415 3.080 20 0 CGADHO Cc1cccc([C@@H](NC[C@@H]2CCC[NH2+]C2)C(C)C)c1 ZINC001118898504 802615137 /nfs/dbraw/zinc/61/51/37/802615137.db2.gz XEUAUIMSTMYOQR-WBVHZDCISA-N 1 3 260.425 3.281 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991885 802625621 /nfs/dbraw/zinc/62/56/21/802625621.db2.gz ROSMJOVCLRFIKS-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991885 802625625 /nfs/dbraw/zinc/62/56/25/802625625.db2.gz ROSMJOVCLRFIKS-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001118991885 802625629 /nfs/dbraw/zinc/62/56/29/802625629.db2.gz ROSMJOVCLRFIKS-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC001200821080 811748599 /nfs/dbraw/zinc/74/85/99/811748599.db2.gz LTVBRGNPDSWHIT-XETQRACLSA-N 1 3 294.389 3.440 20 0 CGADHO CC(C)c1cccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206808050 813443965 /nfs/dbraw/zinc/44/39/65/813443965.db2.gz JPYXHVUNNKVBSF-HOCLYGCPSA-N 1 3 260.425 3.369 20 0 CGADHO [NH3+]CCOc1cccc(-c2cccc(C3=NCCC3)c2)c1 ZINC001244325322 803304604 /nfs/dbraw/zinc/30/46/04/803304604.db2.gz KKVNJGRRIQBYPA-UHFFFAOYSA-N 1 3 280.371 3.274 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2cncc(Cl)c2)CC1 ZINC001136994209 803668942 /nfs/dbraw/zinc/66/89/42/803668942.db2.gz KSJBODBZHIDFNL-UHFFFAOYSA-N 1 3 295.858 3.287 20 0 CGADHO CN(C)Cc1ccnc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001245350160 803708647 /nfs/dbraw/zinc/70/86/47/803708647.db2.gz RIQRXMGNZZWMGS-KRWDZBQOSA-N 1 3 281.403 3.235 20 0 CGADHO Cc1cc(N2CCN(Cc3c(C)cccc3C)CC2)cc[nH+]1 ZINC001137854384 803786005 /nfs/dbraw/zinc/78/60/05/803786005.db2.gz ULHOEFWLMHKFGU-UHFFFAOYSA-N 1 3 295.430 3.329 20 0 CGADHO CCCc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)s1 ZINC001138524884 803956680 /nfs/dbraw/zinc/95/66/80/803956680.db2.gz CHDRQEWWDIIYKQ-KGLIPLIRSA-N 1 3 278.465 3.084 20 0 CGADHO CCCc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)s1 ZINC001138524884 803956688 /nfs/dbraw/zinc/95/66/88/803956688.db2.gz CHDRQEWWDIIYKQ-KGLIPLIRSA-N 1 3 278.465 3.084 20 0 CGADHO Cc1ccccc1C[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246071177 804108829 /nfs/dbraw/zinc/10/88/29/804108829.db2.gz INHDTZAQKLCCIE-WOJBJXKFSA-N 1 3 294.442 3.448 20 0 CGADHO CC[C@@H]1CC(NCCc2ccc(F)cc2)C[C@@H](CC)[NH2+]1 ZINC001246073564 804112589 /nfs/dbraw/zinc/11/25/89/804112589.db2.gz HAUSSUBRMGCWHE-HZPDHXFCSA-N 1 3 278.415 3.267 20 0 CGADHO c1ccc(OC2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246090901 804122036 /nfs/dbraw/zinc/12/20/36/804122036.db2.gz MPONZIDUXFDWHJ-UPTPFMHGSA-N 1 3 288.435 3.108 20 0 CGADHO CC1(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CNC1 ZINC001246095278 804127102 /nfs/dbraw/zinc/12/71/02/804127102.db2.gz PNOLIBWGUKFEKQ-UHFFFAOYSA-N 1 3 284.447 3.012 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+]C[C@]1(O)CCCCNC1 ZINC001246099387 804132285 /nfs/dbraw/zinc/13/22/85/804132285.db2.gz UFNBNBDKMKQYAA-IRXDYDNUSA-N 1 3 284.488 3.220 20 0 CGADHO C[C@@H](Cc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246101812 804135289 /nfs/dbraw/zinc/13/52/89/804135289.db2.gz MMOBNHRKSAEKGX-NZVBXONLSA-N 1 3 284.806 3.270 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C[C@H]1CC[C@@H](C)CN1 ZINC001246103217 804135533 /nfs/dbraw/zinc/13/55/33/804135533.db2.gz GNVCPYNDMJDXMP-FRRDWIJNSA-N 1 3 298.833 3.388 20 0 CGADHO C[NH2+]CCCN[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246112233 804143375 /nfs/dbraw/zinc/14/33/75/804143375.db2.gz LKHYTZCMGUICHY-GFCCVEGCSA-N 1 3 287.234 3.050 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@@H]2CCC[NH2+]C[C@@H]2C)cc1 ZINC001246117533 804149578 /nfs/dbraw/zinc/14/95/78/804149578.db2.gz JUGWAWKJWLFWKY-YQQAZPJKSA-N 1 3 292.492 3.453 20 0 CGADHO Clc1ccc(C2CCC([NH2+][C@@H]3CCNC3)CC2)cc1 ZINC001246117618 804150045 /nfs/dbraw/zinc/15/00/45/804150045.db2.gz RXBSRQFFASBXOV-AVVWSFFYSA-N 1 3 278.827 3.318 20 0 CGADHO Cc1ccc(SC[C@@H](C)NC[C@H]2CCCC[NH2+]C2)cc1 ZINC001246118568 804151107 /nfs/dbraw/zinc/15/11/07/804151107.db2.gz SFBCRDMVOUAFRI-CVEARBPZSA-N 1 3 292.492 3.455 20 0 CGADHO c1ccc(CC2CCC([NH2+][C@@H]3CNCC34CC4)CC2)cc1 ZINC001246127173 804154524 /nfs/dbraw/zinc/15/45/24/804154524.db2.gz AXKBLUHCCKMZRP-DAWZGUTISA-N 1 3 284.447 3.130 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCc2ccccc2Cl)CC[NH2+]1 ZINC001246154675 804172554 /nfs/dbraw/zinc/17/25/54/804172554.db2.gz BPQDKUIPVOPWCT-GOEBONIOSA-N 1 3 280.843 3.249 20 0 CGADHO Cc1ccc(CCN[C@H]2CC[NH2+][C@@H](C(C)C)C2)c(C)c1 ZINC001246158483 804173544 /nfs/dbraw/zinc/17/35/44/804173544.db2.gz KBFSBYGQAGYJMO-ZWKOTPCHSA-N 1 3 274.452 3.212 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)CCN1 ZINC001246174048 804188137 /nfs/dbraw/zinc/18/81/37/804188137.db2.gz WLQPGVUSXFRTPR-SBZGPEHISA-N 1 3 276.468 3.323 20 0 CGADHO CC1(C)C[C@H](NCCSCc2ccc(F)cc2)CC[NH2+]1 ZINC001246175532 804188837 /nfs/dbraw/zinc/18/88/37/804188837.db2.gz SZSOPAKQOGJLGA-OAHLLOKOSA-N 1 3 296.455 3.179 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCSCc2ccc(F)cc2)CCN1 ZINC001246175532 804188841 /nfs/dbraw/zinc/18/88/41/804188841.db2.gz SZSOPAKQOGJLGA-OAHLLOKOSA-N 1 3 296.455 3.179 20 0 CGADHO CC[C@H]1C[C@H](NCCCOc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246177294 804190416 /nfs/dbraw/zinc/19/04/16/804190416.db2.gz IHPLIQCXAMRCCY-LSDHHAIUSA-N 1 3 296.842 3.229 20 0 CGADHO CC[C@H]1C[C@H]([NH2+]CCCOc2ccc(Cl)cc2)CCN1 ZINC001246177294 804190420 /nfs/dbraw/zinc/19/04/20/804190420.db2.gz IHPLIQCXAMRCCY-LSDHHAIUSA-N 1 3 296.842 3.229 20 0 CGADHO CC1(C)C[C@H]([NH2+]CCCOc2ccc(Cl)cc2)CCN1 ZINC001246180678 804193385 /nfs/dbraw/zinc/19/33/85/804193385.db2.gz QSJWLVPQFCOQRP-CQSZACIVSA-N 1 3 296.842 3.229 20 0 CGADHO C1C[C@@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)C[C@H](C1)N2 ZINC001246179308 804193533 /nfs/dbraw/zinc/19/35/33/804193533.db2.gz MCHAUTGZGVPCDY-FDKZXEEHSA-N 1 3 274.452 3.074 20 0 CGADHO CC(C)[C@H]1C[C@H](NCCc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246186739 804198439 /nfs/dbraw/zinc/19/84/39/804198439.db2.gz ATZKWRCXEIWGIK-HZPDHXFCSA-N 1 3 280.843 3.249 20 0 CGADHO C[C@@H]1C[C@H](NCCSCc2ccccc2Cl)CC[NH2+]1 ZINC001246200217 804205225 /nfs/dbraw/zinc/20/52/25/804205225.db2.gz AYKQUXDXMPAYHH-TZMCWYRMSA-N 1 3 298.883 3.303 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2Cl)CCN1 ZINC001246200217 804205231 /nfs/dbraw/zinc/20/52/31/804205231.db2.gz AYKQUXDXMPAYHH-TZMCWYRMSA-N 1 3 298.883 3.303 20 0 CGADHO CC(C)[C@H]1C[C@@H](NCCCc2ccccc2F)CC[NH2+]1 ZINC001246229899 804223716 /nfs/dbraw/zinc/22/37/16/804223716.db2.gz MXXGZEJEHXJZKF-DOTOQJQBSA-N 1 3 278.415 3.125 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCCCOc2ccccc2)CC[NH2+]1 ZINC001246236160 804228356 /nfs/dbraw/zinc/22/83/56/804228356.db2.gz KKUCLDADLDTNFN-NVXWUHKLSA-N 1 3 290.451 3.212 20 0 CGADHO CC(C)(CN)C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001246243783 804235625 /nfs/dbraw/zinc/23/56/25/804235625.db2.gz HTRSBUFCCLGSRZ-UHFFFAOYSA-N 1 3 286.463 3.388 20 0 CGADHO CC(C)(CN)C[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246252863 804238976 /nfs/dbraw/zinc/23/89/76/804238976.db2.gz XSLPXYDBXLWFRP-CQSZACIVSA-N 1 3 252.446 3.454 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCCc2coc3ccccc23)CC[NH2+]1 ZINC001246260490 804241974 /nfs/dbraw/zinc/24/19/74/804241974.db2.gz GRHARQANEARGKE-RDJZCZTQSA-N 1 3 286.419 3.342 20 0 CGADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)C[C@@H](C)N1 ZINC001246259068 804242718 /nfs/dbraw/zinc/24/27/18/804242718.db2.gz YXSKZBNAQUEGDS-BIYBGRMPSA-N 1 3 264.457 3.464 20 0 CGADHO CCCC[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246270302 804247851 /nfs/dbraw/zinc/24/78/51/804247851.db2.gz LVXWEZCHVYNMFU-VSZNYVQBSA-N 1 3 272.436 3.443 20 0 CGADHO Fc1cccc([C@@H]([NH2+][C@@H]2CCCNC2)C2CCC2)c1 ZINC001246275858 804251888 /nfs/dbraw/zinc/25/18/88/804251888.db2.gz XVLCKLKFUMGWED-CVEARBPZSA-N 1 3 262.372 3.009 20 0 CGADHO C[C@H](Cc1ccccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC001246274091 804251931 /nfs/dbraw/zinc/25/19/31/804251931.db2.gz RRHNXTRJHYZDRR-TZMCWYRMSA-N 1 3 266.816 3.003 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H](NCCc2ccc(F)c(F)c2)CC[NH2+]1 ZINC001246279167 804254274 /nfs/dbraw/zinc/25/42/74/804254274.db2.gz NWKTXBOBTHFGPI-CJNGLKHVSA-N 1 3 296.405 3.264 20 0 CGADHO C[C@H](CCN)[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246299961 804266992 /nfs/dbraw/zinc/26/69/92/804266992.db2.gz KVLIVYMGHQARNT-BXKDBHETSA-N 1 3 287.234 3.178 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCN1 ZINC001246306070 804269563 /nfs/dbraw/zinc/26/95/63/804269563.db2.gz TXKQTDBNEIKRFT-BRWVUGGUSA-N 1 3 292.854 3.318 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(Cl)cc1 ZINC001246306988 804269705 /nfs/dbraw/zinc/26/97/05/804269705.db2.gz CKIXCYPXLMKAKW-SWLSCSKDSA-N 1 3 268.832 3.234 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246310990 804272912 /nfs/dbraw/zinc/27/29/12/804272912.db2.gz BRWADNXTOWGQGW-NEPJUHHUSA-N 1 3 287.234 3.178 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)CCN1 ZINC001246310794 804273282 /nfs/dbraw/zinc/27/32/82/804273282.db2.gz QUCCPNNANWJAFJ-BRWVUGGUSA-N 1 3 292.854 3.318 20 0 CGADHO CC(C)(Cc1ccccc1F)[NH2+][C@H]1CCNC(C)(C)C1 ZINC001246312864 804275473 /nfs/dbraw/zinc/27/54/73/804275473.db2.gz XDXAHOPQTGPIOY-AWEZNQCLSA-N 1 3 278.415 3.267 20 0 CGADHO CC(C)(Cc1ccccc1F)N[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246312864 804275480 /nfs/dbraw/zinc/27/54/80/804275480.db2.gz XDXAHOPQTGPIOY-AWEZNQCLSA-N 1 3 278.415 3.267 20 0 CGADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246330354 804286223 /nfs/dbraw/zinc/28/62/23/804286223.db2.gz YCXKVNRVNVBLCR-UWVGGRQHSA-N 1 3 275.223 3.109 20 0 CGADHO CC(C)(C)[C@H]1C[C@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246333444 804287268 /nfs/dbraw/zinc/28/72/68/804287268.db2.gz QLGPIFNLYYLDJP-IAGOWNOFSA-N 1 3 286.463 3.475 20 0 CGADHO CC1(C)CC[NH2+]C[C@H]1N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246332603 804288123 /nfs/dbraw/zinc/28/81/23/804288123.db2.gz QJQIZUGBBQAKNY-IXDOHACOSA-N 1 3 272.436 3.300 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C)CCN1 ZINC001246335598 804289953 /nfs/dbraw/zinc/28/99/53/804289953.db2.gz RQUBCYMDKHPIMW-FXUDXRNXSA-N 1 3 252.446 3.466 20 0 CGADHO c1ccc(C[C@@H]2C[C@H]([NH2+][C@H]3CC34CCCC4)CCN2)cc1 ZINC001246337131 804291195 /nfs/dbraw/zinc/29/11/95/804291195.db2.gz WWYZQCCZQMYMDR-KURKYZTESA-N 1 3 284.447 3.272 20 0 CGADHO CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC001246351247 804300431 /nfs/dbraw/zinc/30/04/31/804300431.db2.gz STNGLUUTPDXQNC-HZSPNIEDSA-N 1 3 252.446 3.321 20 0 CGADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C(C)(C)CCN ZINC001246358288 804303626 /nfs/dbraw/zinc/30/36/26/804303626.db2.gz CKSOLXCDHXGQBQ-NSHDSACASA-N 1 3 288.357 3.353 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC001246364621 804305991 /nfs/dbraw/zinc/30/59/91/804305991.db2.gz SWXOOJLKZHZMJM-BARDWOONSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(C)cc1C ZINC001246369886 804308509 /nfs/dbraw/zinc/30/85/09/804308509.db2.gz DEBSPVOEUCWJAN-NVXWUHKLSA-N 1 3 260.425 3.486 20 0 CGADHO CC1(C)CNCC[C@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001246378563 804312330 /nfs/dbraw/zinc/31/23/30/804312330.db2.gz WYSKJBXHKQMUFZ-CZUORRHYSA-N 1 3 292.854 3.175 20 0 CGADHO C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)CCN1 ZINC001246386621 804315122 /nfs/dbraw/zinc/31/51/22/804315122.db2.gz XPVYXMFOPSCXKM-UKRRQHHQSA-N 1 3 292.854 3.393 20 0 CGADHO Cc1ccc(CC2(C[NH2+][C@@H]3CCN[C@H](C)C3)CC2)cc1 ZINC001246384575 804315527 /nfs/dbraw/zinc/31/55/27/804315527.db2.gz QFYSYVOYPXWAOG-NVXWUHKLSA-N 1 3 272.436 3.048 20 0 CGADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139890793 804317887 /nfs/dbraw/zinc/31/78/87/804317887.db2.gz XMYGWWQPCWFWJP-ZBFHGGJFSA-N 1 3 298.405 3.362 20 0 CGADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139890793 804317894 /nfs/dbraw/zinc/31/78/94/804317894.db2.gz XMYGWWQPCWFWJP-ZBFHGGJFSA-N 1 3 298.405 3.362 20 0 CGADHO CCCC[C@H](CC(C)C)[NH2+]C1(CCOC)CCNCC1 ZINC001246391612 804317936 /nfs/dbraw/zinc/31/79/36/804317936.db2.gz NURAWHMYMGJKDH-MRXNPFEDSA-N 1 3 284.488 3.340 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246394088 804319141 /nfs/dbraw/zinc/31/91/41/804319141.db2.gz QWUQSRUACILWJQ-SJORKVTESA-N 1 3 290.426 3.411 20 0 CGADHO CC[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccc(F)c2)CCN1 ZINC001246410757 804324229 /nfs/dbraw/zinc/32/42/29/804324229.db2.gz LRBUPHOKMUKHLY-CVEARBPZSA-N 1 3 278.415 3.267 20 0 CGADHO CCCCCC(CCCCC)[NH2+][C@@H]1CC12CNC2 ZINC001246443383 804334766 /nfs/dbraw/zinc/33/47/66/804334766.db2.gz GMCRRFVFPOSUJD-OAHLLOKOSA-N 1 3 252.446 3.467 20 0 CGADHO CCC[C@@]1(C[NH2+][C@H](C)Cc2cccc(Cl)c2)CCN1 ZINC001246457326 804337162 /nfs/dbraw/zinc/33/71/62/804337162.db2.gz SHVPSRHAWMCDLC-CJNGLKHVSA-N 1 3 280.843 3.393 20 0 CGADHO C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)CCN1 ZINC001246464236 804344289 /nfs/dbraw/zinc/34/42/89/804344289.db2.gz IRNKWNJBKIHOCE-WMLDXEAASA-N 1 3 290.426 3.269 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CCNCC12CC2 ZINC001246472789 804349688 /nfs/dbraw/zinc/34/96/88/804349688.db2.gz IWXMQVJNZSDSGO-SOUVJXGZSA-N 1 3 252.446 3.323 20 0 CGADHO CCCC[C@@H]1C[C@H](NC[C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246472533 804349848 /nfs/dbraw/zinc/34/98/48/804349848.db2.gz GUUBIVKPRDCBSO-ARFHVFGLSA-N 1 3 287.451 3.096 20 0 CGADHO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCNCC12CC2 ZINC001246474615 804350138 /nfs/dbraw/zinc/35/01/38/804350138.db2.gz RHEZTWDWFUIOCP-DLBZAZTESA-N 1 3 272.436 3.130 20 0 CGADHO CCC(C)(C)C1CCC(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246473864 804350736 /nfs/dbraw/zinc/35/07/36/804350736.db2.gz KXIKMDARVDGHQC-HPDBWDTBSA-N 1 3 276.468 3.345 20 0 CGADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCNCC12CC2 ZINC001246476332 804352547 /nfs/dbraw/zinc/35/25/47/804352547.db2.gz ZGUQWSZGDSFEGT-WFASDCNBSA-N 1 3 278.827 3.003 20 0 CGADHO CCCCCC[C@H](CC)[NH2+][C@H]1CCNCC12CC2 ZINC001246475254 804353190 /nfs/dbraw/zinc/35/31/90/804353190.db2.gz UHMRRKSSKOQOMD-GJZGRUSLSA-N 1 3 252.446 3.467 20 0 CGADHO CCCCCC[C@H](CCC)N[C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246496184 804360281 /nfs/dbraw/zinc/36/02/81/804360281.db2.gz SWKGQERQBYPQMG-UGUYLWEFSA-N 1 3 252.446 3.466 20 0 CGADHO CCCCCC[C@H](CCC)[NH2+][C@H]1C[C@@H]2CN[C@H]1C2 ZINC001246496184 804360289 /nfs/dbraw/zinc/36/02/89/804360289.db2.gz SWKGQERQBYPQMG-UGUYLWEFSA-N 1 3 252.446 3.466 20 0 CGADHO CN[C@H]1C[C@@H]([NH2+][C@H]2CCCC3(CCCCC3)C2)C1 ZINC001246495258 804360418 /nfs/dbraw/zinc/36/04/18/804360418.db2.gz IWUPJRJXUHIGKY-SOUVJXGZSA-N 1 3 250.430 3.220 20 0 CGADHO CCCC(C[NH3+])(CCC)NC1CC(C)(C)N(O)C(C)(C)C1 ZINC001246495953 804361170 /nfs/dbraw/zinc/36/11/70/804361170.db2.gz MESXLOWBSAHEIO-UHFFFAOYSA-N 1 3 299.503 3.285 20 0 CGADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246514290 804370353 /nfs/dbraw/zinc/37/03/53/804370353.db2.gz GDVSOYLZSGCKTI-OFQRWUPVSA-N 1 3 254.462 3.281 20 0 CGADHO Cc1ccc(SC[C@H](C)N[C@H](C(C)C)C2C[NH2+]C2)cc1 ZINC001246519249 804371464 /nfs/dbraw/zinc/37/14/64/804371464.db2.gz RHPLUAUKBPCHFV-WMLDXEAASA-N 1 3 292.492 3.309 20 0 CGADHO CC(C)C[NH+](CC(C)C)[C@H]1CCN[C@@H](C(C)C)C1 ZINC001246519678 804374927 /nfs/dbraw/zinc/37/49/27/804374927.db2.gz DDCGQTOHQHEVCR-JKSUJKDBSA-N 1 3 254.462 3.377 20 0 CGADHO CC(C)[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246521141 804377520 /nfs/dbraw/zinc/37/75/20/804377520.db2.gz WPOOYDMCKQFHMS-SCAQPMJSSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246521141 804377527 /nfs/dbraw/zinc/37/75/27/804377527.db2.gz WPOOYDMCKQFHMS-SCAQPMJSSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)N(Cc1ccccc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246521141 804377535 /nfs/dbraw/zinc/37/75/35/804377535.db2.gz WPOOYDMCKQFHMS-SCAQPMJSSA-N 1 3 260.425 3.426 20 0 CGADHO CC(C)C[C@@H](Cc1ccccc1)N1C[C@@H]([NH3+])C2(CC2)C1 ZINC001246532732 804382860 /nfs/dbraw/zinc/38/28/60/804382860.db2.gz JSMISIJCDJZQHY-DLBZAZTESA-N 1 3 272.436 3.067 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2ccc(O)cc2F)CC1 ZINC001140127460 804383461 /nfs/dbraw/zinc/38/34/61/804383461.db2.gz VATGSABWJLGDCY-UHFFFAOYSA-N 1 3 294.414 3.084 20 0 CGADHO C[C@H]1c2ccccc2CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246546269 804396589 /nfs/dbraw/zinc/39/65/89/804396589.db2.gz JLGCBADISLDFQA-QMCVQRASSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546269 804396594 /nfs/dbraw/zinc/39/65/94/804396594.db2.gz JLGCBADISLDFQA-QMCVQRASSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@H]1c2ccccc2CC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246546269 804396603 /nfs/dbraw/zinc/39/66/03/804396603.db2.gz JLGCBADISLDFQA-QMCVQRASSA-N 1 3 270.420 3.279 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246549930 804400086 /nfs/dbraw/zinc/40/00/86/804400086.db2.gz MKVWBNLMABDUDA-OIISXLGYSA-N 1 3 258.409 3.354 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2c2ccccc2)CCN1 ZINC001246549930 804400095 /nfs/dbraw/zinc/40/00/95/804400095.db2.gz MKVWBNLMABDUDA-OIISXLGYSA-N 1 3 258.409 3.354 20 0 CGADHO CCCC1CCC(N2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246558331 804407897 /nfs/dbraw/zinc/40/78/97/804407897.db2.gz PDESOOQMNIKCSZ-MOKVOYLWSA-N 1 3 274.399 3.261 20 0 CGADHO C[C@@H]1CN(C2CCC(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC001246566082 804413343 /nfs/dbraw/zinc/41/33/43/804413343.db2.gz FDHIWXZMCCGTTB-AGERRDQYSA-N 1 3 272.436 3.067 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CN)[C@H]1C ZINC001246565154 804413813 /nfs/dbraw/zinc/41/38/13/804413813.db2.gz OQGAXFABQRQSTH-KBAYOESNSA-N 1 3 274.452 3.457 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CCC[C@H](CN)[C@H]1C ZINC001246565154 804413818 /nfs/dbraw/zinc/41/38/18/804413818.db2.gz OQGAXFABQRQSTH-KBAYOESNSA-N 1 3 274.452 3.457 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246591201 804433615 /nfs/dbraw/zinc/43/36/15/804433615.db2.gz MVEBIYSEVWHULG-IIYDPXPESA-N 1 3 292.854 3.257 20 0 CGADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001246591201 804433619 /nfs/dbraw/zinc/43/36/19/804433619.db2.gz MVEBIYSEVWHULG-IIYDPXPESA-N 1 3 292.854 3.257 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+]1CC[C@@]3(C1)CCCNC3)CC2 ZINC001246609377 804442806 /nfs/dbraw/zinc/44/28/06/804442806.db2.gz MZZSPEGNJMNSLE-IBGZPJMESA-N 1 3 284.447 3.010 20 0 CGADHO c1ccc2c(c1)CCC([N@H+]1CC[C@@]3(C1)CCCNC3)CC2 ZINC001246609377 804442813 /nfs/dbraw/zinc/44/28/13/804442813.db2.gz MZZSPEGNJMNSLE-IBGZPJMESA-N 1 3 284.447 3.010 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC[C@@]3(CC[NH2+]3)C2)CC(C)(C)C1 ZINC001246613851 804448495 /nfs/dbraw/zinc/44/84/95/804448495.db2.gz RAXNEDXHNBOYIY-IIAWOOMASA-N 1 3 250.430 3.029 20 0 CGADHO CCCCC(CCCC)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246618646 804453414 /nfs/dbraw/zinc/45/34/14/804453414.db2.gz IHTLULWQRXIAMU-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCC(CCCC)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246618646 804453418 /nfs/dbraw/zinc/45/34/18/804453418.db2.gz IHTLULWQRXIAMU-GOEBONIOSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@H](CC(C)C)[NH+]1CC2(C1)CCCNC2 ZINC001246619305 804453759 /nfs/dbraw/zinc/45/37/59/804453759.db2.gz LQDOOKJXPNECMS-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CCCC[C@H](CC(C)C)N1CC2(C1)CCC[NH2+]C2 ZINC001246619305 804453764 /nfs/dbraw/zinc/45/37/64/804453764.db2.gz LQDOOKJXPNECMS-OAHLLOKOSA-N 1 3 252.446 3.277 20 0 CGADHO CCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246618595 804454222 /nfs/dbraw/zinc/45/42/22/804454222.db2.gz HUAIDVPPMAVLSU-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CCCCCC[C@@H](CC)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246618595 804454224 /nfs/dbraw/zinc/45/42/24/804454224.db2.gz HUAIDVPPMAVLSU-ARFHVFGLSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@H](C)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001246649572 804477267 /nfs/dbraw/zinc/47/72/67/804477267.db2.gz CXVCLWFDIGIKEX-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@H](C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246649572 804477272 /nfs/dbraw/zinc/47/72/72/804477272.db2.gz CXVCLWFDIGIKEX-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)CC[C@H](C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246649572 804477274 /nfs/dbraw/zinc/47/72/74/804477274.db2.gz CXVCLWFDIGIKEX-HOTGVXAUSA-N 1 3 252.446 3.419 20 0 CGADHO CC1(C)CCC([N@@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)CC1 ZINC001246653036 804478415 /nfs/dbraw/zinc/47/84/15/804478415.db2.gz CECFPFJGCGUBDK-FZMZJTMJSA-N 1 3 290.373 3.039 20 0 CGADHO CC1(C)CCC([N@H+]2C[C@@H]3CNC[C@]3(C(F)(F)F)C2)CC1 ZINC001246653036 804478420 /nfs/dbraw/zinc/47/84/20/804478420.db2.gz CECFPFJGCGUBDK-FZMZJTMJSA-N 1 3 290.373 3.039 20 0 CGADHO CC(C)[C@H]1C[C@@H](N(C)CCCc2ccccc2)CC[NH2+]1 ZINC001246773530 804505321 /nfs/dbraw/zinc/50/53/21/804505321.db2.gz AGTCSBQRUGSFEO-ZWKOTPCHSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@H]1C[C@@H]([N@H+](C)CCCc2ccccc2)CCN1 ZINC001246773530 804505328 /nfs/dbraw/zinc/50/53/28/804505328.db2.gz AGTCSBQRUGSFEO-ZWKOTPCHSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)[C@H]1C[C@@H]([N@@H+](C)CCCc2ccccc2)CCN1 ZINC001246773530 804505334 /nfs/dbraw/zinc/50/53/34/804505334.db2.gz AGTCSBQRUGSFEO-ZWKOTPCHSA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246782476 804507415 /nfs/dbraw/zinc/50/74/15/804507415.db2.gz KPURGFAHIBKZTQ-KGLIPLIRSA-N 1 3 252.446 3.275 20 0 CGADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246780419 804507521 /nfs/dbraw/zinc/50/75/21/804507521.db2.gz VNIQRLBQJGXXMA-PVAVHDDUSA-N 1 3 258.409 3.007 20 0 CGADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](c3ccccc3)C2)CCN1 ZINC001246780419 804507526 /nfs/dbraw/zinc/50/75/26/804507526.db2.gz VNIQRLBQJGXXMA-PVAVHDDUSA-N 1 3 258.409 3.007 20 0 CGADHO CC1(C)C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246781074 804507952 /nfs/dbraw/zinc/50/79/52/804507952.db2.gz XJKHSTNQARQSAN-IAGOWNOFSA-N 1 3 272.436 3.397 20 0 CGADHO CC1(C)C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)C2)CCN1 ZINC001246781074 804507959 /nfs/dbraw/zinc/50/79/59/804507959.db2.gz XJKHSTNQARQSAN-IAGOWNOFSA-N 1 3 272.436 3.397 20 0 CGADHO C[NH2+]CC[C@H](C)N1CCC(c2ccc(F)cc2)CC1 ZINC001246787571 804511232 /nfs/dbraw/zinc/51/12/32/804511232.db2.gz QJTWYHBIZPAALP-ZDUSSCGKSA-N 1 3 264.388 3.003 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789672 804513758 /nfs/dbraw/zinc/51/37/58/804513758.db2.gz FAUJSJMWIMWBAG-MSOLQXFVSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@@H]2CCC[C@H]([N@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789672 804513761 /nfs/dbraw/zinc/51/37/61/804513761.db2.gz FAUJSJMWIMWBAG-MSOLQXFVSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789675 804514084 /nfs/dbraw/zinc/51/40/84/804514084.db2.gz FAUJSJMWIMWBAG-ROUUACIJSA-N 1 3 284.447 3.398 20 0 CGADHO c1ccc([C@H]2CCC[C@H]([N@H+]3CCCC4(CNC4)C3)C2)cc1 ZINC001246789675 804514089 /nfs/dbraw/zinc/51/40/89/804514089.db2.gz FAUJSJMWIMWBAG-ROUUACIJSA-N 1 3 284.447 3.398 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246791499 804516133 /nfs/dbraw/zinc/51/61/33/804516133.db2.gz KDLNHUDEINGWEK-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246791499 804516137 /nfs/dbraw/zinc/51/61/37/804516137.db2.gz KDLNHUDEINGWEK-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)C[C@@H](C)C[C@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246791499 804516141 /nfs/dbraw/zinc/51/61/41/804516141.db2.gz KDLNHUDEINGWEK-CABCVRRESA-N 1 3 252.446 3.133 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@H+](CC2CC2)C(C)C)CCN1 ZINC001246791646 804516323 /nfs/dbraw/zinc/51/63/23/804516323.db2.gz RDCIVINOXLSYNQ-HZPDHXFCSA-N 1 3 252.446 3.418 20 0 CGADHO CCCC[C@@H]1C[C@H]([N@@H+](CC2CC2)C(C)C)CCN1 ZINC001246791646 804516329 /nfs/dbraw/zinc/51/63/29/804516329.db2.gz RDCIVINOXLSYNQ-HZPDHXFCSA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246792930 804516362 /nfs/dbraw/zinc/51/63/62/804516362.db2.gz SLILVPNCHOGMKB-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246792930 804516367 /nfs/dbraw/zinc/51/63/67/804516367.db2.gz SLILVPNCHOGMKB-RCCFBDPRSA-N 1 3 272.436 3.082 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](CN)C1 ZINC001246796630 804519739 /nfs/dbraw/zinc/51/97/39/804519739.db2.gz MTEMHTZYDFOTTP-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](CN)C1 ZINC001246796630 804519741 /nfs/dbraw/zinc/51/97/41/804519741.db2.gz MTEMHTZYDFOTTP-DLBZAZTESA-N 1 3 260.425 3.069 20 0 CGADHO CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841253 804550688 /nfs/dbraw/zinc/55/06/88/804550688.db2.gz NLQZIFOKFRMGLD-ZFWWWQNUSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@H+](C[C@H]1CCCNC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841253 804550692 /nfs/dbraw/zinc/55/06/92/804550692.db2.gz NLQZIFOKFRMGLD-ZFWWWQNUSA-N 1 3 292.854 3.129 20 0 CGADHO C[N@@H+](C[C@H]1CCCNC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001246841253 804550697 /nfs/dbraw/zinc/55/06/97/804550697.db2.gz NLQZIFOKFRMGLD-ZFWWWQNUSA-N 1 3 292.854 3.129 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CC)C2)CCN1 ZINC001246844887 804554971 /nfs/dbraw/zinc/55/49/71/804554971.db2.gz DEENXWXYVVLXQA-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CC)C2)CCN1 ZINC001246844887 804554976 /nfs/dbraw/zinc/55/49/76/804554976.db2.gz DEENXWXYVVLXQA-OAGGEKHMSA-N 1 3 252.446 3.419 20 0 CGADHO CC(C)(C)[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246891589 804583741 /nfs/dbraw/zinc/58/37/41/804583741.db2.gz CFLHLJIRAOEZKC-VGWMRTNUSA-N 1 3 264.457 3.275 20 0 CGADHO CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)Cc1ccccc1 ZINC001246896029 804584989 /nfs/dbraw/zinc/58/49/89/804584989.db2.gz ZQFVHPBPZDHUIK-SJPCQFCGSA-N 1 3 272.436 3.223 20 0 CGADHO CCN(Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246909914 804593643 /nfs/dbraw/zinc/59/36/43/804593643.db2.gz SDSQEUDNOITEBF-RDJZCZTQSA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CCN[C@@H](C)C1 ZINC001246909914 804593648 /nfs/dbraw/zinc/59/36/48/804593648.db2.gz SDSQEUDNOITEBF-RDJZCZTQSA-N 1 3 260.425 3.266 20 0 CGADHO CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CCN[C@@H](C)C1 ZINC001246909914 804593650 /nfs/dbraw/zinc/59/36/50/804593650.db2.gz SDSQEUDNOITEBF-RDJZCZTQSA-N 1 3 260.425 3.266 20 0 CGADHO C1CC2(C1)C[C@@H]([NH+]1CCCCCCCC1)CCN2 ZINC001246919111 804599855 /nfs/dbraw/zinc/59/98/55/804599855.db2.gz IWFYSTBZEQDIAL-HNNXBMFYSA-N 1 3 250.430 3.317 20 0 CGADHO CCCCC[C@H](CC)[N@H+](CCOC)[C@H]1CCCNC1 ZINC001246929776 804605301 /nfs/dbraw/zinc/60/53/01/804605301.db2.gz QIVCYXZUFLIHJN-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO CCCCC[C@H](CC)[N@@H+](CCOC)[C@H]1CCCNC1 ZINC001246929776 804605305 /nfs/dbraw/zinc/60/53/05/804605305.db2.gz QIVCYXZUFLIHJN-HOTGVXAUSA-N 1 3 270.461 3.046 20 0 CGADHO C([C@@H]1CCCNC1)[N@H+](C1CCCC1)C1CCSCC1 ZINC001246931393 804607294 /nfs/dbraw/zinc/60/72/94/804607294.db2.gz BBQJVOBRICSOSK-CQSZACIVSA-N 1 3 282.497 3.126 20 0 CGADHO C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)C1CCSCC1 ZINC001246931393 804607298 /nfs/dbraw/zinc/60/72/98/804607298.db2.gz BBQJVOBRICSOSK-CQSZACIVSA-N 1 3 282.497 3.126 20 0 CGADHO Nc1ccc(C2CC[NH+]([C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC001246933785 804607662 /nfs/dbraw/zinc/60/76/62/804607662.db2.gz TWSMCNMMFCBADV-GOSISDBHSA-N 1 3 299.462 3.123 20 0 CGADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001246944144 804612708 /nfs/dbraw/zinc/61/27/08/804612708.db2.gz UINBFIFKRLBYRX-DZGCQCFKSA-N 1 3 292.854 3.129 20 0 CGADHO C[C@H]1C[C@@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246947390 804614888 /nfs/dbraw/zinc/61/48/88/804614888.db2.gz XMRRQHPAVULNPI-RDJZCZTQSA-N 1 3 272.436 3.181 20 0 CGADHO Cc1ccc(SC[C@H](C)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001246964236 804619410 /nfs/dbraw/zinc/61/94/10/804619410.db2.gz BXKXUSOBZOWSIJ-HOCLYGCPSA-N 1 3 278.465 3.146 20 0 CGADHO Cc1ccc(C[C@@H](C)N(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246973015 804622173 /nfs/dbraw/zinc/62/21/73/804622173.db2.gz LLQPQESKKPCFKA-AEFFLSMTSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@H+](C[C@H]2CCCNC2)C2CC2)cc1 ZINC001246973015 804622177 /nfs/dbraw/zinc/62/21/77/804622177.db2.gz LLQPQESKKPCFKA-AEFFLSMTSA-N 1 3 286.463 3.390 20 0 CGADHO Cc1ccc(C[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C2CC2)cc1 ZINC001246973015 804622180 /nfs/dbraw/zinc/62/21/80/804622180.db2.gz LLQPQESKKPCFKA-AEFFLSMTSA-N 1 3 286.463 3.390 20 0 CGADHO c1ccc2c(c1)CCC([N@H+](C[C@H]1CCCNC1)C1CC1)CC2 ZINC001246975003 804623597 /nfs/dbraw/zinc/62/35/97/804623597.db2.gz RGYCKSDOPCJLQY-INIZCTEOSA-N 1 3 298.474 3.398 20 0 CGADHO c1ccc2c(c1)CCC([N@@H+](C[C@H]1CCCNC1)C1CC1)CC2 ZINC001246975003 804623600 /nfs/dbraw/zinc/62/36/00/804623600.db2.gz RGYCKSDOPCJLQY-INIZCTEOSA-N 1 3 298.474 3.398 20 0 CGADHO CCCCCC[C@H](CC)[N@H+](CCN(C)C)C1CCNCC1 ZINC001246982845 804627959 /nfs/dbraw/zinc/62/79/59/804627959.db2.gz CHIGYJUWXALHDS-KRWDZBQOSA-N 1 3 297.531 3.351 20 0 CGADHO CCCCCC[C@H](CC)[N@@H+](CCN(C)C)C1CCNCC1 ZINC001246982845 804627961 /nfs/dbraw/zinc/62/79/61/804627961.db2.gz CHIGYJUWXALHDS-KRWDZBQOSA-N 1 3 297.531 3.351 20 0 CGADHO CC[C@@H]1C[C@@H](N2CCC3(Cc4ccccc4N3)CC2)CC[NH2+]1 ZINC001247005399 804637368 /nfs/dbraw/zinc/63/73/68/804637368.db2.gz YHJYLLIBLYYZSA-SJORKVTESA-N 1 3 299.462 3.020 20 0 CGADHO CCC(CC)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001257291404 807088570 /nfs/dbraw/zinc/08/85/70/807088570.db2.gz BZUFQSWPIDTELK-UHFFFAOYSA-N 1 3 275.440 3.072 20 0 CGADHO CCC(CC)N1CCC([NH3+])(c2ccc(OC)cc2)CC1 ZINC001257291822 807089760 /nfs/dbraw/zinc/08/97/60/807089760.db2.gz WVXWDYATJRVTNU-UHFFFAOYSA-N 1 3 276.424 3.134 20 0 CGADHO CCCC[C@H](CC)[NH+](CCCN(C)C)CCCN(C)C ZINC001257425602 807149861 /nfs/dbraw/zinc/14/98/61/807149861.db2.gz VLBYOXWGGCTSHO-KRWDZBQOSA-N 1 3 285.520 3.161 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457923 807194653 /nfs/dbraw/zinc/19/46/53/807194653.db2.gz NQFATXHINJAZNH-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO C[C@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)CC(C)(C)C ZINC001167457923 807194655 /nfs/dbraw/zinc/19/46/55/807194655.db2.gz NQFATXHINJAZNH-HOTGVXAUSA-N 1 3 266.473 3.476 20 0 CGADHO C1=CC[C@H](CN2CCC([NH2+][C@@H]3CCCSC3)CC2)CC1 ZINC001257667337 807208395 /nfs/dbraw/zinc/20/83/95/807208395.db2.gz CJCPDHWIHXIXDG-DOTOQJQBSA-N 1 3 294.508 3.292 20 0 CGADHO Cc1ccnc(CCC[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC001258003611 807263162 /nfs/dbraw/zinc/26/31/62/807263162.db2.gz NKSMAJYNYIUEEH-UHFFFAOYSA-N 1 3 289.467 3.033 20 0 CGADHO [NH3+]C1(c2ccc(Cl)cc2)CCN([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917686 807274127 /nfs/dbraw/zinc/27/41/27/807274127.db2.gz BMPYUOWOECNMCX-YWVIFJGQSA-N 1 3 290.838 3.388 20 0 CGADHO CSCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001258206303 807363813 /nfs/dbraw/zinc/36/38/13/807363813.db2.gz GDKNCDSEERWHIK-CQSZACIVSA-N 1 3 284.513 3.372 20 0 CGADHO c1ccc([C@@H]2C[C@H]2NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168359663 807392504 /nfs/dbraw/zinc/39/25/04/807392504.db2.gz DYDAZYSKPPYSOB-ZWKOTPCHSA-N 1 3 270.420 3.007 20 0 CGADHO Cc1nc2cc(C[NH2+]C3CCN(CC4CC4)CC3)ccc2o1 ZINC001168356402 807392593 /nfs/dbraw/zinc/39/25/93/807392593.db2.gz QXPYSQRAXLSYPG-UHFFFAOYSA-N 1 3 299.418 3.100 20 0 CGADHO Cc1c2[nH]cnc2ccc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168549138 807443056 /nfs/dbraw/zinc/44/30/56/807443056.db2.gz KROPSWVIGLUMGH-CYBMUJFWSA-N 1 3 292.386 3.455 20 0 CGADHO C[C@@H](Cc1cccnc1)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001258616464 807511090 /nfs/dbraw/zinc/51/10/90/807511090.db2.gz KHRUSPDBIQBEEO-AWEZNQCLSA-N 1 3 289.467 3.254 20 0 CGADHO CCCCC[C@H](CCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258664416 807532394 /nfs/dbraw/zinc/53/23/94/807532394.db2.gz JTUAOTUTTSMRJI-SFHVURJKSA-N 1 3 297.531 3.351 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCc3ccccc31)C2 ZINC001169077861 807567792 /nfs/dbraw/zinc/56/77/92/807567792.db2.gz AUPBXWPCZMUDAS-KYHPRHEASA-N 1 3 270.420 3.279 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCc3ccccc31)C2 ZINC001169077861 807567795 /nfs/dbraw/zinc/56/77/95/807567795.db2.gz AUPBXWPCZMUDAS-KYHPRHEASA-N 1 3 270.420 3.279 20 0 CGADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C3CC3)c1)C2 ZINC001169112822 807581369 /nfs/dbraw/zinc/58/13/69/807581369.db2.gz TXPNUKDDDXEZKC-BCDXTJNWSA-N 1 3 270.420 3.279 20 0 CGADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001169123657 807584909 /nfs/dbraw/zinc/58/49/09/807584909.db2.gz LXACOYZJQABJKB-ZHCJQAHYSA-N 1 3 290.838 3.411 20 0 CGADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001169123657 807584912 /nfs/dbraw/zinc/58/49/12/807584912.db2.gz LXACOYZJQABJKB-ZHCJQAHYSA-N 1 3 290.838 3.411 20 0 CGADHO CCC[NH+]1CCC(N2Cc3cccc(C)c3C2)CC1 ZINC001258772085 807604868 /nfs/dbraw/zinc/60/48/68/807604868.db2.gz IQNMFNNGTYRSBF-UHFFFAOYSA-N 1 3 258.409 3.185 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789713 807614482 /nfs/dbraw/zinc/61/44/82/807614482.db2.gz DFHYGASUYVKIAI-WCVJEAGWSA-N 1 3 252.446 3.085 20 0 CGADHO CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258789713 807614484 /nfs/dbraw/zinc/61/44/84/807614484.db2.gz DFHYGASUYVKIAI-WCVJEAGWSA-N 1 3 252.446 3.085 20 0 CGADHO C[C@H](CN)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001170113441 807761724 /nfs/dbraw/zinc/76/17/24/807761724.db2.gz PEWMGOFMURINGS-BFYDXBDKSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC001170113441 807761729 /nfs/dbraw/zinc/76/17/29/807761729.db2.gz PEWMGOFMURINGS-BFYDXBDKSA-N 1 3 260.425 3.272 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH2+]CC[C@H]1CCCN1C ZINC001170255674 807805878 /nfs/dbraw/zinc/80/58/78/807805878.db2.gz VHEFGDRKEQZZPH-DZGCQCFKSA-N 1 3 280.843 3.345 20 0 CGADHO C[C@@H](Cc1ccccc1Cl)[NH+]1CCC2(CN(C)C2)CC1 ZINC001170288696 807815873 /nfs/dbraw/zinc/81/58/73/807815873.db2.gz UJOSTXCLFXBEKO-AWEZNQCLSA-N 1 3 292.854 3.299 20 0 CGADHO CCC[N@H+](CCCN)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171011383 807960627 /nfs/dbraw/zinc/96/06/27/807960627.db2.gz DCUOLRVXIBEYTL-AWEZNQCLSA-N 1 3 280.843 3.258 20 0 CGADHO CCC[N@@H+](CCCN)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171011383 807960631 /nfs/dbraw/zinc/96/06/31/807960631.db2.gz DCUOLRVXIBEYTL-AWEZNQCLSA-N 1 3 280.843 3.258 20 0 CGADHO C[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171629437 808107385 /nfs/dbraw/zinc/10/73/85/808107385.db2.gz QYQBILMRWRHCKF-ZDUSSCGKSA-N 1 3 252.446 3.370 20 0 CGADHO C[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171629437 808107392 /nfs/dbraw/zinc/10/73/92/808107392.db2.gz QYQBILMRWRHCKF-ZDUSSCGKSA-N 1 3 252.446 3.370 20 0 CGADHO CO[C@H]1CCC[C@@H]([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171628848 808107859 /nfs/dbraw/zinc/10/78/59/808107859.db2.gz JEEVWBPNKKMPGW-HIFRSBDPSA-N 1 3 282.472 3.185 20 0 CGADHO C[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@]1(C)O ZINC001171632119 808109081 /nfs/dbraw/zinc/10/90/81/808109081.db2.gz VJWJPNNUZIRRBM-KDOFPFPSSA-N 1 3 296.499 3.121 20 0 CGADHO C[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)CC[C@]1(C)O ZINC001171632119 808109083 /nfs/dbraw/zinc/10/90/83/808109083.db2.gz VJWJPNNUZIRRBM-KDOFPFPSSA-N 1 3 296.499 3.121 20 0 CGADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171774774 808136020 /nfs/dbraw/zinc/13/60/20/808136020.db2.gz DRIMTUKGTXNBDP-GOEBONIOSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1Cc2cccc(F)c2C1 ZINC001171774774 808136024 /nfs/dbraw/zinc/13/60/24/808136024.db2.gz DRIMTUKGTXNBDP-GOEBONIOSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1Cc2cccc(F)c2C1 ZINC001171774774 808136030 /nfs/dbraw/zinc/13/60/30/808136030.db2.gz DRIMTUKGTXNBDP-GOEBONIOSA-N 1 3 290.426 3.147 20 0 CGADHO C[C@H](C[NH3+])CN(C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172881283 808474761 /nfs/dbraw/zinc/47/47/61/808474761.db2.gz ZTMDXWOCLFDXIV-NEPJUHHUSA-N 1 3 286.872 3.347 20 0 CGADHO CCCc1cc(CN)nn1C1CCC([NH+](CC)CC)CC1 ZINC001173107101 808512429 /nfs/dbraw/zinc/51/24/29/808512429.db2.gz GTIMZDAFNRSMMU-UHFFFAOYSA-N 1 3 292.471 3.120 20 0 CGADHO CCc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173239874 808547802 /nfs/dbraw/zinc/54/78/02/808547802.db2.gz LMOHOKDLEVKIPM-IPELMVKDSA-N 1 3 286.463 3.064 20 0 CGADHO CCc1ccc(C[C@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001173239874 808547804 /nfs/dbraw/zinc/54/78/04/808547804.db2.gz LMOHOKDLEVKIPM-IPELMVKDSA-N 1 3 286.463 3.064 20 0 CGADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccccc1Cl)CC2 ZINC001275249695 808923428 /nfs/dbraw/zinc/92/34/28/808923428.db2.gz PSZLIANGTLNTND-UHFFFAOYSA-N 1 3 278.827 3.258 20 0 CGADHO C[N@H+]1CCC2(C1)CCN(Cc1ccccc1Cl)CC2 ZINC001275249695 808923430 /nfs/dbraw/zinc/92/34/30/808923430.db2.gz PSZLIANGTLNTND-UHFFFAOYSA-N 1 3 278.827 3.258 20 0 CGADHO c1cc(CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)c[nH]1 ZINC001276101602 808987066 /nfs/dbraw/zinc/98/70/66/808987066.db2.gz CJDZZNDGAJGYLD-ZWKOTPCHSA-N 1 3 287.451 3.482 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3ccc4[nH]ccc4c3)(C1)CCC2 ZINC001276243511 808996049 /nfs/dbraw/zinc/99/60/49/808996049.db2.gz HFMAFRYPXMJPDV-ZWKOTPCHSA-N 1 3 283.419 3.322 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc3ccoc31)C2 ZINC001276788217 809031016 /nfs/dbraw/zinc/03/10/16/809031016.db2.gz BPGUPCWNCNJBCO-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc3ccoc31)C2 ZINC001276788217 809031023 /nfs/dbraw/zinc/03/10/23/809031023.db2.gz BPGUPCWNCNJBCO-SFHVURJKSA-N 1 3 284.403 3.351 20 0 CGADHO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3ccoc31)C2 ZINC001276788215 809031171 /nfs/dbraw/zinc/03/11/71/809031171.db2.gz BPGUPCWNCNJBCO-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc3ccoc31)C2 ZINC001276788215 809031176 /nfs/dbraw/zinc/03/11/76/809031176.db2.gz BPGUPCWNCNJBCO-GOSISDBHSA-N 1 3 284.403 3.351 20 0 CGADHO Cn1cncc1N[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277769483 809094204 /nfs/dbraw/zinc/09/42/04/809094204.db2.gz FNQCAGAYOBEPIT-SJORKVTESA-N 1 3 288.439 3.210 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3csc4ccccc34)[C@@H]2C1 ZINC001179817225 809948755 /nfs/dbraw/zinc/94/87/55/809948755.db2.gz PAHXJTUUAGYUIA-MAZHCROVSA-N 1 3 286.444 3.331 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3csc4ccccc34)[C@H]2C1 ZINC001179817226 809948784 /nfs/dbraw/zinc/94/87/84/809948784.db2.gz PAHXJTUUAGYUIA-RCBQFDQVSA-N 1 3 286.444 3.331 20 0 CGADHO C[C@H](c1nccc2ccccc21)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC001180794419 810022326 /nfs/dbraw/zinc/02/23/26/810022326.db2.gz OLZHIITWIIYVNB-CABCVRRESA-N 1 3 283.419 3.179 20 0 CGADHO C[C@H](c1nccc2ccccc21)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC001180794419 810022327 /nfs/dbraw/zinc/02/23/27/810022327.db2.gz OLZHIITWIIYVNB-CABCVRRESA-N 1 3 283.419 3.179 20 0 CGADHO C[C@H](C[NH2+]C[C@@H]1CN2CCC1CC2)c1cccc(Cl)c1 ZINC001184135938 810178900 /nfs/dbraw/zinc/17/89/00/810178900.db2.gz XUYDCLKIRSHSFM-CZUORRHYSA-N 1 3 292.854 3.375 20 0 CGADHO Cc1ccc(CCN2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1 ZINC001197930654 811465250 /nfs/dbraw/zinc/46/52/50/811465250.db2.gz RRLWATSNCVYVSE-KRWDZBQOSA-N 1 3 295.430 3.143 20 0 CGADHO CC(C)(C)C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001201442215 811850376 /nfs/dbraw/zinc/85/03/76/811850376.db2.gz UVHSDMXTVUJLOT-ZWKOTPCHSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)(C)C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001201442215 811850382 /nfs/dbraw/zinc/85/03/82/811850382.db2.gz UVHSDMXTVUJLOT-ZWKOTPCHSA-N 1 3 286.463 3.486 20 0 CGADHO CC(C)[NH+]1CCC(CN(C)Cc2ccccc2F)CC1 ZINC001203353006 812319181 /nfs/dbraw/zinc/31/91/81/812319181.db2.gz TWJPJSJISKYXEP-UHFFFAOYSA-N 1 3 278.415 3.378 20 0 CGADHO C[NH+]1CCC(C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC001203787220 812460804 /nfs/dbraw/zinc/46/08/04/812460804.db2.gz WDOJSYOHZSNQEM-UHFFFAOYSA-N 1 3 290.426 3.380 20 0 CGADHO c1c[nH]c(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001204008485 812517330 /nfs/dbraw/zinc/51/73/30/812517330.db2.gz GBMIRURLYTWHKT-UHFFFAOYSA-N 1 3 295.430 3.113 20 0 CGADHO Cn1c2ccccc2c(C[N@H+](C)CCN)c1-c1ccccc1 ZINC001204699944 812712527 /nfs/dbraw/zinc/71/25/27/812712527.db2.gz VFJWIDMFKCDTDP-UHFFFAOYSA-N 1 3 293.414 3.236 20 0 CGADHO Cn1c2ccccc2c(C[N@@H+](C)CCN)c1-c1ccccc1 ZINC001204699944 812712532 /nfs/dbraw/zinc/71/25/32/812712532.db2.gz VFJWIDMFKCDTDP-UHFFFAOYSA-N 1 3 293.414 3.236 20 0 CGADHO C[C@@H]1CC[N@H+](CCC(C)(C)c2ccccc2)C[C@@H]1CN ZINC001205295953 812936375 /nfs/dbraw/zinc/93/63/75/812936375.db2.gz DDVANNMJNKQDJI-CVEARBPZSA-N 1 3 274.452 3.271 20 0 CGADHO C[C@@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C[C@@H]1CN ZINC001205295953 812936376 /nfs/dbraw/zinc/93/63/76/812936376.db2.gz DDVANNMJNKQDJI-CVEARBPZSA-N 1 3 274.452 3.271 20 0 CGADHO CC/C=C\CCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001205296827 812937053 /nfs/dbraw/zinc/93/70/53/812937053.db2.gz ULPMXWSYRVXXCY-MSNYOWOLSA-N 1 3 252.446 3.430 20 0 CGADHO CC/C=C\CCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC001205296827 812937057 /nfs/dbraw/zinc/93/70/57/812937057.db2.gz ULPMXWSYRVXXCY-MSNYOWOLSA-N 1 3 252.446 3.430 20 0 CGADHO C[C@H]1CCN(Cc2cccc3sccc32)C[C@@H]1C[NH3+] ZINC001205318546 812950558 /nfs/dbraw/zinc/95/05/58/812950558.db2.gz VWLNGTJRPVJFQO-JSGCOSHPSA-N 1 3 274.433 3.318 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1CCNCC[C@H]1C ZINC001205332330 812959313 /nfs/dbraw/zinc/95/93/13/812959313.db2.gz OSFGEIQTLDEVIR-GFCCVEGCSA-N 1 3 274.433 3.394 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1CCNCC[C@H]1C ZINC001205332330 812959317 /nfs/dbraw/zinc/95/93/17/812959317.db2.gz OSFGEIQTLDEVIR-GFCCVEGCSA-N 1 3 274.433 3.394 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205601359 813017397 /nfs/dbraw/zinc/01/73/97/813017397.db2.gz DTVFJGMQAREDPX-YPMHNXCESA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CCN(Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC001205602021 813018363 /nfs/dbraw/zinc/01/83/63/813018363.db2.gz HQNJZUDJYAWQSP-NEPJUHHUSA-N 1 3 284.806 3.286 20 0 CGADHO CCCc1ccc(CN2CCC[C@@H](C[NH3+])[C@@H]2C)s1 ZINC001205903768 813126502 /nfs/dbraw/zinc/12/65/02/813126502.db2.gz QZIMNULYHNDRFT-STQMWFEESA-N 1 3 266.454 3.260 20 0 CGADHO C[C@H]1CN(Cc2ccc(F)cc2Cl)CCC[C@H]1C[NH3+] ZINC001205994326 813155036 /nfs/dbraw/zinc/15/50/36/813155036.db2.gz KUSGJBIKLRJGHM-RYUDHWBXSA-N 1 3 284.806 3.286 20 0 CGADHO C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001205993098 813155396 /nfs/dbraw/zinc/15/53/96/813155396.db2.gz GXLQGDPXUYLIOJ-WCQYABFASA-N 1 3 284.806 3.286 20 0 CGADHO C[C@@H]1CN(Cc2ccsc2Cl)CCC[C@H]1C[NH3+] ZINC001206011137 813163545 /nfs/dbraw/zinc/16/35/45/813163545.db2.gz AFAZXBDAFALCRL-MNOVXSKESA-N 1 3 272.845 3.208 20 0 CGADHO C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)CCC[C@@H]1C[NH3+] ZINC001206012041 813164664 /nfs/dbraw/zinc/16/46/64/813164664.db2.gz IDTNVTVCTHKBON-GDBMZVCRSA-N 1 3 299.418 3.148 20 0 CGADHO N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173527 813225504 /nfs/dbraw/zinc/22/55/04/813225504.db2.gz HVDLGRGSUMIYJT-IRXDYDNUSA-N 1 3 299.393 3.010 20 0 CGADHO N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)CC[C@@H]1F ZINC001206173527 813225508 /nfs/dbraw/zinc/22/55/08/813225508.db2.gz HVDLGRGSUMIYJT-IRXDYDNUSA-N 1 3 299.393 3.010 20 0 CGADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(F)c3cc[nH]c32)C1 ZINC001206581569 813362784 /nfs/dbraw/zinc/36/27/84/813362784.db2.gz KHHAZNRHMZQFAW-QGZVFWFLSA-N 1 3 289.398 3.258 20 0 CGADHO CC(C)(CC[N@@H+]1CCCC[C@H](CN)C1)c1ccccc1 ZINC001206606532 813372173 /nfs/dbraw/zinc/37/21/73/813372173.db2.gz OHGCCDUQPVNESS-MRXNPFEDSA-N 1 3 274.452 3.415 20 0 CGADHO CC(C)(CC[N@H+]1CCCC[C@H](CN)C1)c1ccccc1 ZINC001206606532 813372178 /nfs/dbraw/zinc/37/21/78/813372178.db2.gz OHGCCDUQPVNESS-MRXNPFEDSA-N 1 3 274.452 3.415 20 0 CGADHO COc1ccccc1[C@H]1CCC[N@@H+]1CC(C)(C)CN(C)C ZINC001207283611 813533131 /nfs/dbraw/zinc/53/31/31/813533131.db2.gz ARZBZJFENWXTKZ-MRXNPFEDSA-N 1 3 290.451 3.420 20 0 CGADHO COc1ccccc1[C@H]1CCC[N@H+]1CC(C)(C)CN(C)C ZINC001207283611 813533135 /nfs/dbraw/zinc/53/31/35/813533135.db2.gz ARZBZJFENWXTKZ-MRXNPFEDSA-N 1 3 290.451 3.420 20 0 CGADHO CC1(C)C[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC001207365776 813552403 /nfs/dbraw/zinc/55/24/03/813552403.db2.gz NEEAWOJBIUYJNV-MRXNPFEDSA-N 1 3 294.483 3.142 20 0 CGADHO C[NH+]1CCC(CCN2CCc3cc(Cl)ccc3C2)CC1 ZINC001207486642 813573859 /nfs/dbraw/zinc/57/38/59/813573859.db2.gz LTYXEAIIXLIVAS-UHFFFAOYSA-N 1 3 292.854 3.430 20 0 CGADHO CCCN1C[C@@H]2C[NH+](CCCCc3ccccc3)C[C@H]2C1 ZINC001207614903 813615089 /nfs/dbraw/zinc/61/50/89/813615089.db2.gz JAHHYLKPEDFEIS-RTBURBONSA-N 1 3 286.463 3.283 20 0 CGADHO CCC[NH+]1C[C@@H]2CN(CCCCc3ccccc3)C[C@H]2C1 ZINC001207614903 813615094 /nfs/dbraw/zinc/61/50/94/813615094.db2.gz JAHHYLKPEDFEIS-RTBURBONSA-N 1 3 286.463 3.283 20 0 CGADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1 ZINC001207723931 813640453 /nfs/dbraw/zinc/64/04/53/813640453.db2.gz RBXYWWSEXLIXBS-CYBMUJFWSA-N 1 3 276.399 3.351 20 0 CGADHO C[C@H](C[NH+]1CCC(N(C)C2CC2)CC1)c1ccccc1 ZINC001207911699 813670302 /nfs/dbraw/zinc/67/03/02/813670302.db2.gz IFKURUKQGZQWOD-OAHLLOKOSA-N 1 3 272.436 3.349 20 0 CGADHO Cc1ccc([C@H](C)CC[N@H+](C)CCCN2CCCC2)o1 ZINC001208153907 813712675 /nfs/dbraw/zinc/71/26/75/813712675.db2.gz DIVWLBBKSSMOMG-OAHLLOKOSA-N 1 3 278.440 3.499 20 0 CGADHO Cc1ccc([C@H](C)CC[N@@H+](C)CCCN2CCCC2)o1 ZINC001208153907 813712679 /nfs/dbraw/zinc/71/26/79/813712679.db2.gz DIVWLBBKSSMOMG-OAHLLOKOSA-N 1 3 278.440 3.499 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@H]2C1 ZINC001208172097 813725049 /nfs/dbraw/zinc/72/50/49/813725049.db2.gz YOKKARSYJCYZMK-XMTFNYHQSA-N 1 3 276.468 3.252 20 0 CGADHO CN(C)CC1(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC001208192609 813737177 /nfs/dbraw/zinc/73/71/77/813737177.db2.gz VZIHZNDSQSYHAX-CYBMUJFWSA-N 1 3 292.389 3.383 20 0 CGADHO CN(C)CC1(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC001208192609 813737181 /nfs/dbraw/zinc/73/71/81/813737181.db2.gz VZIHZNDSQSYHAX-CYBMUJFWSA-N 1 3 292.389 3.383 20 0 CGADHO c1ccc(C[N@H+]2C[C@@H]3CCN(CCC4CC4)C[C@@H]3C2)cc1 ZINC001208687403 813796480 /nfs/dbraw/zinc/79/64/80/813796480.db2.gz CPVAKLQYIJGFOT-RBUKOAKNSA-N 1 3 284.447 3.240 20 0 CGADHO c1ccc(C[N@@H+]2C[C@@H]3CCN(CCC4CC4)C[C@@H]3C2)cc1 ZINC001208687403 813796487 /nfs/dbraw/zinc/79/64/87/813796487.db2.gz CPVAKLQYIJGFOT-RBUKOAKNSA-N 1 3 284.447 3.240 20 0 CGADHO CC/C=C\CCN1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001208726344 813815275 /nfs/dbraw/zinc/81/52/75/813815275.db2.gz UNGREHRJYXWMRW-OOFWQKGWSA-N 1 3 294.483 3.166 20 0 CGADHO CC/C=C\CCN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001208726344 813815286 /nfs/dbraw/zinc/81/52/86/813815286.db2.gz UNGREHRJYXWMRW-OOFWQKGWSA-N 1 3 294.483 3.166 20 0 CGADHO CN(CCCc1ccccc1Cl)CCC[NH+](C)C ZINC001208872837 813876444 /nfs/dbraw/zinc/87/64/44/813876444.db2.gz ZJZYLARICMJRKY-UHFFFAOYSA-N 1 3 268.832 3.156 20 0 CGADHO CCOC(C)(C)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209075059 813926404 /nfs/dbraw/zinc/92/64/04/813926404.db2.gz NJQKEAHHCRRSBH-INIZCTEOSA-N 1 3 282.472 3.142 20 0 CGADHO CCOC(C)(C)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209075059 813926409 /nfs/dbraw/zinc/92/64/09/813926409.db2.gz NJQKEAHHCRRSBH-INIZCTEOSA-N 1 3 282.472 3.142 20 0 CGADHO CCCCCCN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209448817 814048539 /nfs/dbraw/zinc/04/85/39/814048539.db2.gz KGXHRDZEZZYROE-UHFFFAOYSA-N 1 3 295.515 3.060 20 0 CGADHO CN(C)Cc1c(O[C@H]2CCCC[NH2+]C2)ccc2ccccc21 ZINC001217971881 816024962 /nfs/dbraw/zinc/02/49/62/816024962.db2.gz YRHXNQMNPNESGA-INIZCTEOSA-N 1 3 298.430 3.422 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001222231844 816380688 /nfs/dbraw/zinc/38/06/88/816380688.db2.gz PVUXEJCWEJSQOE-ULQDDVLXSA-N 1 3 262.441 3.197 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001222231844 816380694 /nfs/dbraw/zinc/38/06/94/816380694.db2.gz PVUXEJCWEJSQOE-ULQDDVLXSA-N 1 3 262.441 3.197 20 0 CGADHO COc1cccc(C)c1CN1CCC[C@]12CCC[NH2+]CC2 ZINC001222321402 816408533 /nfs/dbraw/zinc/40/85/33/816408533.db2.gz VFZYOKRSQLVCBY-SFHVURJKSA-N 1 3 288.435 3.112 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)s1 ZINC001222595989 816474717 /nfs/dbraw/zinc/47/47/17/816474717.db2.gz NMQIESCPMDWWGP-KRWDZBQOSA-N 1 3 298.455 3.246 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)s1 ZINC001222595989 816474722 /nfs/dbraw/zinc/47/47/22/816474722.db2.gz NMQIESCPMDWWGP-KRWDZBQOSA-N 1 3 298.455 3.246 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc(C4CC4)cc3)C2)CC1 ZINC001232985366 818492528 /nfs/dbraw/zinc/49/25/28/818492528.db2.gz DOIGCPSFWQVARV-UHFFFAOYSA-N 1 3 270.420 3.092 20 0 CGADHO CCc1cccc2c(CN3CCC4(CC[NH2+]C4)CC3)c[nH]c21 ZINC001235104915 819004131 /nfs/dbraw/zinc/00/41/31/819004131.db2.gz XBDFKPYRFNXFQB-UHFFFAOYSA-N 1 3 297.446 3.306 20 0 CGADHO Cc1c2ccccc2sc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193927 819031931 /nfs/dbraw/zinc/03/19/31/819031931.db2.gz SONNJQAFWABLAI-ZIAGYGMSSA-N 1 3 286.444 3.251 20 0 CGADHO Fc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235228527 819040786 /nfs/dbraw/zinc/04/07/86/819040786.db2.gz IRFQXLMDVYHKLP-QGZVFWFLSA-N 1 3 276.399 3.180 20 0 CGADHO CCc1ncc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235241099 819044033 /nfs/dbraw/zinc/04/40/33/819044033.db2.gz XWOAVKACFARLRB-HNNXBMFYSA-N 1 3 293.480 3.060 20 0 CGADHO Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)c2ccccc12 ZINC001235238843 819044340 /nfs/dbraw/zinc/04/43/40/819044340.db2.gz ANYCPTUCYZXRBY-VQIMIIECSA-N 1 3 280.415 3.461 20 0 CGADHO Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)c2ccccc12 ZINC001235238843 819044342 /nfs/dbraw/zinc/04/43/42/819044342.db2.gz ANYCPTUCYZXRBY-VQIMIIECSA-N 1 3 280.415 3.461 20 0 CGADHO c1cc2cc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)ncc2o1 ZINC001235239548 819045294 /nfs/dbraw/zinc/04/52/94/819045294.db2.gz KIRJWHBYEAMVRF-QGZVFWFLSA-N 1 3 299.418 3.182 20 0 CGADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235282788 819061720 /nfs/dbraw/zinc/06/17/20/819061720.db2.gz JIQDJXMARNSBFG-RUGDWHBFSA-N 1 3 286.463 3.052 20 0 CGADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235282788 819061722 /nfs/dbraw/zinc/06/17/22/819061722.db2.gz JIQDJXMARNSBFG-RUGDWHBFSA-N 1 3 286.463 3.052 20 0 CGADHO Cc1cc(Cl)cc(CN2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235340599 819072140 /nfs/dbraw/zinc/07/21/40/819072140.db2.gz RMGCDDIVTXKOIE-UHFFFAOYSA-N 1 3 278.827 3.080 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001235401719 819085716 /nfs/dbraw/zinc/08/57/16/819085716.db2.gz HJDDOOSWYXXQNV-MWDXBVQZSA-N 1 3 280.431 3.002 20 0 CGADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)CC1 ZINC001235401719 819085722 /nfs/dbraw/zinc/08/57/22/819085722.db2.gz HJDDOOSWYXXQNV-MWDXBVQZSA-N 1 3 280.431 3.002 20 0 CGADHO C[C@H](CC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F)CC(C)(C)C ZINC001235402343 819085754 /nfs/dbraw/zinc/08/57/54/819085754.db2.gz IYGIUFZEOUNFOZ-BFYDXBDKSA-N 1 3 284.463 3.472 20 0 CGADHO C[C@H](CC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F)CC(C)(C)C ZINC001235402343 819085760 /nfs/dbraw/zinc/08/57/60/819085760.db2.gz IYGIUFZEOUNFOZ-BFYDXBDKSA-N 1 3 284.463 3.472 20 0 CGADHO CCCC[N@H+](CCC)Cc1cc2c(s1)CCNC2 ZINC001235661978 819132570 /nfs/dbraw/zinc/13/25/70/819132570.db2.gz BFPAQMNVNHGGAI-UHFFFAOYSA-N 1 3 266.454 3.406 20 0 CGADHO CCCC[N@@H+](CCC)Cc1cc2c(s1)CCNC2 ZINC001235661978 819132574 /nfs/dbraw/zinc/13/25/74/819132574.db2.gz BFPAQMNVNHGGAI-UHFFFAOYSA-N 1 3 266.454 3.406 20 0 CGADHO Cc1sc2ccccc2c1CN1CCC[C@@H](C[NH3+])C1 ZINC001235674215 819135107 /nfs/dbraw/zinc/13/51/07/819135107.db2.gz DFKIPSBIBOLDFD-ZDUSSCGKSA-N 1 3 274.433 3.380 20 0 CGADHO CCCCc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC001235676269 819136824 /nfs/dbraw/zinc/13/68/24/819136824.db2.gz QZXJDZKZSUXNQU-KRWDZBQOSA-N 1 3 260.425 3.200 20 0 CGADHO CCc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)o1 ZINC001235701867 819146878 /nfs/dbraw/zinc/14/68/78/819146878.db2.gz LTTLCUDTRQUEAB-UHFFFAOYSA-N 1 3 276.424 3.054 20 0 CGADHO CN(CC(c1ccccc1)c1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235841389 819183897 /nfs/dbraw/zinc/18/38/97/819183897.db2.gz FEOZQXVSBSCZJG-QGZVFWFLSA-N 1 3 294.442 3.360 20 0 CGADHO CC(C)(C)c1ccc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235930294 819227725 /nfs/dbraw/zinc/22/77/25/819227725.db2.gz VSZGTUAKABOKDF-HZPDHXFCSA-N 1 3 272.436 3.025 20 0 CGADHO c1cc(-c2ccccc2)sc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939874 819233584 /nfs/dbraw/zinc/23/35/84/819233584.db2.gz QTRDCJIMVLWYIE-JKSUJKDBSA-N 1 3 298.455 3.456 20 0 CGADHO CCC(C)(C)c1ccc(CN2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235941225 819233946 /nfs/dbraw/zinc/23/39/46/819233946.db2.gz VCCWAHMXAMUBDN-IAGOWNOFSA-N 1 3 286.463 3.416 20 0 CGADHO Cc1cc(C[N@@H+](CCN)C(C)C)cc(C)c1Cl ZINC001235948003 819237615 /nfs/dbraw/zinc/23/76/15/819237615.db2.gz NDZGEDHPURCLFX-UHFFFAOYSA-N 1 3 254.805 3.126 20 0 CGADHO Cc1cc(C[N@H+](CCN)C(C)C)cc(C)c1Cl ZINC001235948003 819237618 /nfs/dbraw/zinc/23/76/18/819237618.db2.gz NDZGEDHPURCLFX-UHFFFAOYSA-N 1 3 254.805 3.126 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+](C)C[C@@H]2CCCNC2)C1(C)C ZINC001235951396 819241051 /nfs/dbraw/zinc/24/10/51/819241051.db2.gz RUVCJRJKIKLVRM-CVEARBPZSA-N 1 3 264.457 3.300 20 0 CGADHO CC1=CC[C@@H](CC[N@H+](C)C[C@@H]2CCCNC2)C1(C)C ZINC001235951396 819241056 /nfs/dbraw/zinc/24/10/56/819241056.db2.gz RUVCJRJKIKLVRM-CVEARBPZSA-N 1 3 264.457 3.300 20 0 CGADHO CC/C=C\CCCCC[N@H+](C)C[C@@H]1CCCNC1 ZINC001235951375 819241185 /nfs/dbraw/zinc/24/11/85/819241185.db2.gz RPKGWROZJUNNQV-YIEVGGLXSA-N 1 3 252.446 3.444 20 0 CGADHO CC/C=C\CCCCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC001235951375 819241192 /nfs/dbraw/zinc/24/11/92/819241192.db2.gz RPKGWROZJUNNQV-YIEVGGLXSA-N 1 3 252.446 3.444 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+](C)C[C@H]1CCCNC1 ZINC001235951367 819241360 /nfs/dbraw/zinc/24/13/60/819241360.db2.gz RLLGNBPJUWVWAW-HOTGVXAUSA-N 1 3 252.446 3.300 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+](C)C[C@H]1CCCNC1 ZINC001235951367 819241363 /nfs/dbraw/zinc/24/13/63/819241363.db2.gz RLLGNBPJUWVWAW-HOTGVXAUSA-N 1 3 252.446 3.300 20 0 CGADHO C[C@@H]1Cc2ccccc2CN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236071945 819300890 /nfs/dbraw/zinc/30/08/90/819300890.db2.gz NBDUIDBCOOHRHF-CYBMUJFWSA-N 1 3 298.455 3.341 20 0 CGADHO C[C@@H]1C[N@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1N ZINC001236093732 819312680 /nfs/dbraw/zinc/31/26/80/819312680.db2.gz IUUQLRAETVYYBP-YGRLFVJLSA-N 1 3 287.234 3.205 20 0 CGADHO C[C@@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)C[C@@H]1N ZINC001236093732 819312684 /nfs/dbraw/zinc/31/26/84/819312684.db2.gz IUUQLRAETVYYBP-YGRLFVJLSA-N 1 3 287.234 3.205 20 0 CGADHO Cc1cc(CN(C)CCCC[NH3+])c(Cl)cc1Cl ZINC001236141053 819341142 /nfs/dbraw/zinc/34/11/42/819341142.db2.gz DSMUJSUMEOFQJL-UHFFFAOYSA-N 1 3 275.223 3.473 20 0 CGADHO CC(C)Oc1ccc(Cl)cc1CN(C)CCCC[NH3+] ZINC001236141595 819342626 /nfs/dbraw/zinc/34/26/26/819342626.db2.gz KZIUACVQBVXNLI-UHFFFAOYSA-N 1 3 284.831 3.298 20 0 CGADHO Fc1cccc(F)c1[C@@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC001236190832 819362719 /nfs/dbraw/zinc/36/27/19/819362719.db2.gz YRUNKWXHYGXNSR-CJNGLKHVSA-N 1 3 294.389 3.491 20 0 CGADHO C[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@H]1N ZINC001236217386 819382994 /nfs/dbraw/zinc/38/29/94/819382994.db2.gz OSVZZEDBUGALGT-IEBWSBKVSA-N 1 3 295.430 3.450 20 0 CGADHO C[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCCC[C@H]1N ZINC001236217386 819382996 /nfs/dbraw/zinc/38/29/96/819382996.db2.gz OSVZZEDBUGALGT-IEBWSBKVSA-N 1 3 295.430 3.450 20 0 CGADHO CN(Cc1ccc2ccsc2c1)C1(C)CC[NH2+]CC1 ZINC001236226365 819390829 /nfs/dbraw/zinc/39/08/29/819390829.db2.gz KMMDTFMMLIDVMQ-UHFFFAOYSA-N 1 3 274.433 3.475 20 0 CGADHO Clc1ccc(Cl)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314694 819421276 /nfs/dbraw/zinc/42/12/76/819421276.db2.gz FJBMLYUMRKKALQ-TXEJJXNPSA-N 1 3 299.245 3.425 20 0 CGADHO CCN(CCc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407160 819454461 /nfs/dbraw/zinc/45/44/61/819454461.db2.gz CHAICFHBNPUKQL-QGZVFWFLSA-N 1 3 274.452 3.284 20 0 CGADHO CCN(Cc1ccc(F)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236408430 819456588 /nfs/dbraw/zinc/45/65/88/819456588.db2.gz LWEBKKOUIBVWRN-CQSZACIVSA-N 1 3 286.394 3.410 20 0 CGADHO Cc1ccc(F)cc1CN(C[C@@H]1C[C@H]1C)C1CC[NH2+]CC1 ZINC001236510084 819508138 /nfs/dbraw/zinc/50/81/38/819508138.db2.gz YDQXVFSYFKMUTR-CABCVRRESA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@@H+](C[C@@H]1C[C@H]1C)C1CCNCC1 ZINC001236510084 819508147 /nfs/dbraw/zinc/50/81/47/819508147.db2.gz YDQXVFSYFKMUTR-CABCVRRESA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(F)cc1C[N@H+](C[C@@H]1C[C@H]1C)C1CCNCC1 ZINC001236510084 819508152 /nfs/dbraw/zinc/50/81/52/819508152.db2.gz YDQXVFSYFKMUTR-CABCVRRESA-N 1 3 290.426 3.344 20 0 CGADHO Cc1ccc(C[N@H+](C2CCC2)C2CCNCC2)c(C)c1 ZINC001236633421 819557261 /nfs/dbraw/zinc/55/72/61/819557261.db2.gz HKRZUALHWLZALQ-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO Cc1ccc(C[N@@H+](C2CCC2)C2CCNCC2)c(C)c1 ZINC001236633421 819557265 /nfs/dbraw/zinc/55/72/65/819557265.db2.gz HKRZUALHWLZALQ-UHFFFAOYSA-N 1 3 272.436 3.410 20 0 CGADHO CCCN(Cc1cccc(Cl)c1C)C[C@H]1CC[NH2+]C1 ZINC001236842596 819619104 /nfs/dbraw/zinc/61/91/04/819619104.db2.gz FZYOPMDMHCPUBM-AWEZNQCLSA-N 1 3 280.843 3.470 20 0 CGADHO Cc1cc(C)c(CN2CCC[C@@](C)(C[NH3+])C2)cc1C ZINC001237057403 819656597 /nfs/dbraw/zinc/65/65/97/819656597.db2.gz MDBPDCFYLNJADR-KRWDZBQOSA-N 1 3 260.425 3.173 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cccc3c2CCCC3)C1 ZINC001237081992 819662644 /nfs/dbraw/zinc/66/26/44/819662644.db2.gz OKJSPPWGOXRAIV-GOSISDBHSA-N 1 3 272.436 3.126 20 0 CGADHO CCN(CC)Cc1cccc(C2=CCC[NH2+]CC2)c1F ZINC001238949575 820164977 /nfs/dbraw/zinc/16/49/77/820164977.db2.gz HLBBCVHFHRFUHS-UHFFFAOYSA-N 1 3 276.399 3.434 20 0 CGADHO Cc1ccc(C[NH+]2CCCC2)cc1C1=CCN(C)CC1 ZINC001241333458 821741008 /nfs/dbraw/zinc/74/10/08/821741008.db2.gz VFTPQTUQQRCMHZ-UHFFFAOYSA-N 1 3 270.420 3.310 20 0 CGADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075951 936800477 /nfs/dbraw/zinc/80/04/77/936800477.db2.gz AXYKEWDVXCYBLR-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075951 936800479 /nfs/dbraw/zinc/80/04/79/936800479.db2.gz AXYKEWDVXCYBLR-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(OC)cc2C)C1 ZINC001345075951 936800482 /nfs/dbraw/zinc/80/04/82/936800482.db2.gz AXYKEWDVXCYBLR-JKSUJKDBSA-N 1 3 290.451 3.386 20 0 CGADHO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC001350955775 937004603 /nfs/dbraw/zinc/00/46/03/937004603.db2.gz JSEDBCAZCJNCDD-QXSJWSMHSA-N 1 3 268.420 3.025 20 0 CGADHO COC[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C(C)C ZINC001351284982 937013323 /nfs/dbraw/zinc/01/33/23/937013323.db2.gz YMJFSRUABREPEP-ULQDDVLXSA-N 1 3 296.499 3.148 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cccs1 ZINC000399019620 926755137 /nfs/dbraw/zinc/75/51/37/926755137.db2.gz DPUGDHFNQPRIFW-AGIUHOORSA-N 1 3 252.427 3.319 20 0 CGADHO C[NH+](C)CCCC1CCN(CCSC(F)(F)F)CC1 ZINC001459761229 937498938 /nfs/dbraw/zinc/49/89/38/937498938.db2.gz APYJVQQWJQHILS-UHFFFAOYSA-N 1 3 298.418 3.293 20 0 CGADHO CC[C@@H]1C[C@H]1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC001460131693 937516755 /nfs/dbraw/zinc/51/67/55/937516755.db2.gz VHVVKHWAGGEVAM-SJORKVTESA-N 1 3 272.436 3.287 20 0 CGADHO Cc1cccc([C@H](C)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001460559567 937534437 /nfs/dbraw/zinc/53/44/37/937534437.db2.gz JOQGZIOJCZYZBY-CGTJXYLNSA-N 1 3 272.436 3.330 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC001460701890 937541303 /nfs/dbraw/zinc/54/13/03/937541303.db2.gz BQVCNXHWMXFVAH-ZACQAIPSSA-N 1 3 287.451 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C[N@H+]2CCN(c3ccncc3)[C@H](C)C2)C1 ZINC001460701890 937541304 /nfs/dbraw/zinc/54/13/04/937541304.db2.gz BQVCNXHWMXFVAH-ZACQAIPSSA-N 1 3 287.451 3.418 20 0 CGADHO Fc1ccc(/C=C/C[NH2+]CCCN2CCCCC2)cc1 ZINC001461005461 937559041 /nfs/dbraw/zinc/55/90/41/937559041.db2.gz LKAIAOAWLBGVJD-GQCTYLIASA-N 1 3 276.399 3.305 20 0 CGADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCC(C4CCC4)CC3)[C@H]2C1 ZINC001461829508 937600658 /nfs/dbraw/zinc/60/06/58/937600658.db2.gz LBHNUQLUJCGKEJ-YVZBVZGPSA-N 1 3 276.468 3.275 20 0 CGADHO CC[C@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CCC1 ZINC001462084147 937616878 /nfs/dbraw/zinc/61/68/78/937616878.db2.gz KUACYXMVOVQEGE-HOCLYGCPSA-N 1 3 252.446 3.419 20 0 CGADHO CCC[C@@H](C)CCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC001307515315 932965161 /nfs/dbraw/zinc/96/51/61/932965161.db2.gz ZYOLMFZIFQIDPI-HZPDHXFCSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@@H](C)CCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC001307515315 932965165 /nfs/dbraw/zinc/96/51/65/932965165.db2.gz ZYOLMFZIFQIDPI-HZPDHXFCSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@@H](C)CCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC001307515315 932965169 /nfs/dbraw/zinc/96/51/69/932965169.db2.gz ZYOLMFZIFQIDPI-HZPDHXFCSA-N 1 3 254.462 3.476 20 0 CGADHO CCC[C@@H](C)CCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC001307515315 932965174 /nfs/dbraw/zinc/96/51/74/932965174.db2.gz ZYOLMFZIFQIDPI-HZPDHXFCSA-N 1 3 254.462 3.476 20 0 CGADHO C[C@@H](COCC1CCCCC1)[NH2+]CC[C@H]1CCCN1C ZINC001308092082 933047421 /nfs/dbraw/zinc/04/74/21/933047421.db2.gz FFLNPCPRTFLMBU-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](COCC1CCCCC1)NCC[C@H]1CCC[N@@H+]1C ZINC001308092082 933047425 /nfs/dbraw/zinc/04/74/25/933047425.db2.gz FFLNPCPRTFLMBU-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H](COCC1CCCCC1)NCC[C@H]1CCC[N@H+]1C ZINC001308092082 933047430 /nfs/dbraw/zinc/04/74/30/933047430.db2.gz FFLNPCPRTFLMBU-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CCN1CCC[C@@H](C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)C1 ZINC001319913420 933956335 /nfs/dbraw/zinc/95/63/35/933956335.db2.gz UWIOOGXCJRACAB-WMLDXEAASA-N 1 3 293.430 3.239 20 0 CGADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321346 934386208 /nfs/dbraw/zinc/38/62/08/934386208.db2.gz IECVMKIGRKTCBU-ZFWWWQNUSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@@H]1C ZINC001323321346 934386216 /nfs/dbraw/zinc/38/62/16/934386216.db2.gz IECVMKIGRKTCBU-ZFWWWQNUSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321345 934386377 /nfs/dbraw/zinc/38/63/77/934386377.db2.gz IECVMKIGRKTCBU-UKRRQHHQSA-N 1 3 294.414 3.139 20 0 CGADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(OC)c2)C[C@H]1C ZINC001323321345 934386388 /nfs/dbraw/zinc/38/63/88/934386388.db2.gz IECVMKIGRKTCBU-UKRRQHHQSA-N 1 3 294.414 3.139 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001473567668 937811917 /nfs/dbraw/zinc/81/19/17/937811917.db2.gz VOBWGYDABNZVEV-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001473567668 937811919 /nfs/dbraw/zinc/81/19/19/937811919.db2.gz VOBWGYDABNZVEV-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO C[NH+](C)C1(C)CCN(CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001473721204 937818712 /nfs/dbraw/zinc/81/87/12/937818712.db2.gz LOFYYSZHIDIYHN-INIZCTEOSA-N 1 3 294.483 3.142 20 0 CGADHO CN(C)C1(C)CC[NH+](CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001473721204 937818714 /nfs/dbraw/zinc/81/87/14/937818714.db2.gz LOFYYSZHIDIYHN-INIZCTEOSA-N 1 3 294.483 3.142 20 0 CGADHO COc1cccc([C@H]2CCCN2C[C@H]2CCCC[NH2+]C2)c1 ZINC001334738465 936110331 /nfs/dbraw/zinc/11/03/31/936110331.db2.gz PEZMFBKWQVFITA-MAUKXSAKSA-N 1 3 288.435 3.222 20 0 CGADHO COc1cccc([C@@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)c1 ZINC001334738466 936110482 /nfs/dbraw/zinc/11/04/82/936110482.db2.gz PEZMFBKWQVFITA-QAPCUYQASA-N 1 3 288.435 3.222 20 0 CGADHO CN(c1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001336397126 936191449 /nfs/dbraw/zinc/19/14/49/936191449.db2.gz WIKGDKZSTGYTNA-GOSISDBHSA-N 1 3 281.403 3.182 20 0 CGADHO CN(c1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001336397126 936191452 /nfs/dbraw/zinc/19/14/52/936191452.db2.gz WIKGDKZSTGYTNA-GOSISDBHSA-N 1 3 281.403 3.182 20 0 CGADHO CC(C)C1CCC(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001474301158 937849583 /nfs/dbraw/zinc/84/95/83/937849583.db2.gz GIXFJROFOCQOQH-NUUXYWTLSA-N 1 3 278.484 3.379 20 0 CGADHO CC[C@@](C)(CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC001474339267 937852915 /nfs/dbraw/zinc/85/29/15/937852915.db2.gz HDDGLRDLKPVJTN-ROUUACIJSA-N 1 3 296.499 3.245 20 0 CGADHO Cc1nocc1[C@H](C)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001550953014 938173201 /nfs/dbraw/zinc/17/32/01/938173201.db2.gz RZGFISBDDQTCSE-YGONEPDPSA-N 1 3 277.412 3.041 20 0 CGADHO C[C@H]1CCC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551237997 938178393 /nfs/dbraw/zinc/17/83/93/938178393.db2.gz FVIOSCHXWOXAFH-PBHCIXSXSA-N 1 3 294.483 3.188 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001561055302 938292218 /nfs/dbraw/zinc/29/22/18/938292218.db2.gz LUONRYRWXCDJLY-AVOUXACISA-N 1 3 270.486 3.123 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001561053103 938292271 /nfs/dbraw/zinc/29/22/71/938292271.db2.gz SHYTXASVHDSVPX-NCXUSEDFSA-N 1 3 286.463 3.328 20 0 CGADHO CN1C[C@@H]2CC[C@H]([NH2+]CCC3CCCCCC3)[C@@H]2C1 ZINC001561052673 938292402 /nfs/dbraw/zinc/29/24/02/938292402.db2.gz IGRVBUNQWGBXKF-BBWFWOEESA-N 1 3 264.457 3.277 20 0 CGADHO CSc1ccc(CCN[C@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC001579388179 960483303 /nfs/dbraw/zinc/48/33/03/960483303.db2.gz PPZMMEIOTZJRDO-HIFRSBDPSA-N 1 3 278.465 3.071 20 0 CGADHO C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC001574795571 962317030 /nfs/dbraw/zinc/31/70/30/962317030.db2.gz NJOAWZTYEKFTJJ-WMZOPIPTSA-N 1 3 294.483 3.190 20 0 CGADHO CC(C)[C@H](C[NH3+])CN[C@@H]1CCc2cc(Cl)ccc21 ZINC001575428512 962381681 /nfs/dbraw/zinc/38/16/81/962381681.db2.gz DQCQJBCXLXZOOM-IUODEOHRSA-N 1 3 266.816 3.148 20 0 CGADHO C[C@@]1(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503096 962466547 /nfs/dbraw/zinc/46/65/47/962466547.db2.gz LSSBMXKZJWKUPP-QZTJIDSGSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@@]1(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CCCNC1 ZINC001576503096 962466553 /nfs/dbraw/zinc/46/65/53/962466553.db2.gz LSSBMXKZJWKUPP-QZTJIDSGSA-N 1 3 290.426 3.222 20 0 CGADHO C/C=C/C[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC001576915608 962501786 /nfs/dbraw/zinc/50/17/86/962501786.db2.gz XOHVVBFGMGHKIV-WNEUIUNWSA-N 1 3 250.430 3.054 20 0 CGADHO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC001576915608 962501795 /nfs/dbraw/zinc/50/17/95/962501795.db2.gz XOHVVBFGMGHKIV-WNEUIUNWSA-N 1 3 250.430 3.054 20 0 CGADHO CCO[C@H]1C[C@H](N(C)CC2(C[NH3+])CCC2)C1(CC)CC ZINC001578087222 962568525 /nfs/dbraw/zinc/56/85/25/962568525.db2.gz GJRFGQKSJRPPHO-GJZGRUSLSA-N 1 3 282.472 3.031 20 0 CGADHO Cc1cc(C)c(/C=C\C[NH2+]C[C@H](N)C(C)C)cc1C ZINC001579571455 962636167 /nfs/dbraw/zinc/63/61/67/962636167.db2.gz GFNRVGXNGIAOSJ-TUYSUELWSA-N 1 3 260.425 3.198 20 0 CGADHO Cc1ccccc1C1CC(NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001579795436 962670508 /nfs/dbraw/zinc/67/05/08/962670508.db2.gz SJMZHAVOECZBQY-SLTAFYQDSA-N 1 3 294.389 3.075 20 0 CGADHO [NH3+]C[C@@H]1CCN(Cc2ccc(C3CC3)c(C3CC3)c2)C1 ZINC001580266007 962708453 /nfs/dbraw/zinc/70/84/53/962708453.db2.gz WDDGVFOUDSOOGN-AWEZNQCLSA-N 1 3 270.420 3.222 20 0 CGADHO NC[C@@]12C[N@H+](CCC3=CCCCC3)C[C@H]1CCCC2 ZINC001580256907 962710170 /nfs/dbraw/zinc/71/01/70/962710170.db2.gz ZPRAQWDPWNOUCR-SJORKVTESA-N 1 3 262.441 3.328 20 0 CGADHO NC[C@@]12C[N@@H+](CCC3=CCCCC3)C[C@H]1CCCC2 ZINC001580256907 962710182 /nfs/dbraw/zinc/71/01/82/962710182.db2.gz ZPRAQWDPWNOUCR-SJORKVTESA-N 1 3 262.441 3.328 20 0 CGADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCN(C(C)C)C(C)C ZINC000337391917 214047502 /nfs/dbraw/zinc/04/75/02/214047502.db2.gz AWHXPAQPCGEQPU-DLBZAZTESA-N 1 3 284.488 3.290 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2cccc3c2CCC3)CC[N@@H+]1C ZINC000651644385 398261741 /nfs/dbraw/zinc/26/17/41/398261741.db2.gz PSSOVKFLUSFBRI-RHSMWYFYSA-N 1 3 272.436 3.090 20 0 CGADHO C[C@@H]1C[C@H](N(C)Cc2cccc3c2CCC3)CC[N@H+]1C ZINC000651644385 398261744 /nfs/dbraw/zinc/26/17/44/398261744.db2.gz PSSOVKFLUSFBRI-RHSMWYFYSA-N 1 3 272.436 3.090 20 0 CGADHO CCCc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000621728127 349569564 /nfs/dbraw/zinc/56/95/64/349569564.db2.gz BZEGJOVJRJLBTD-XJKSGUPXSA-N 1 3 280.481 3.473 20 0 CGADHO CCCc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000621728127 349569566 /nfs/dbraw/zinc/56/95/66/349569566.db2.gz BZEGJOVJRJLBTD-XJKSGUPXSA-N 1 3 280.481 3.473 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000651680701 398268429 /nfs/dbraw/zinc/26/84/29/398268429.db2.gz OHQUEWKWWUYTJS-YHUYYLMFSA-N 1 3 250.430 3.172 20 0 CGADHO CC[C@](C)(O)CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449071716 529377832 /nfs/dbraw/zinc/37/78/32/529377832.db2.gz OHCYTLIQOITEMZ-SFHVURJKSA-N 1 3 298.515 3.416 20 0 CGADHO CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000651808382 398290777 /nfs/dbraw/zinc/29/07/77/398290777.db2.gz PADUWRKDWCFWLZ-HRCADAONSA-N 1 3 252.446 3.275 20 0 CGADHO CC(C)C[N@H+](C)CCCN[C@H](C)Cc1ccsc1 ZINC000651866120 398299067 /nfs/dbraw/zinc/29/90/67/398299067.db2.gz VSZQWGAYYZDCFR-CQSZACIVSA-N 1 3 268.470 3.247 20 0 CGADHO CC(C)C[N@@H+](C)CCCN[C@H](C)Cc1ccsc1 ZINC000651866120 398299070 /nfs/dbraw/zinc/29/90/70/398299070.db2.gz VSZQWGAYYZDCFR-CQSZACIVSA-N 1 3 268.470 3.247 20 0 CGADHO CC[N@H+](CCCN[C@@H]1CCOC[C@@H]1C)C1CCCCC1 ZINC000651910530 398304406 /nfs/dbraw/zinc/30/44/06/398304406.db2.gz XPWDJOJXRBYMIW-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CC[N@@H+](CCCN[C@@H]1CCOC[C@@H]1C)C1CCCCC1 ZINC000651910530 398304408 /nfs/dbraw/zinc/30/44/08/398304408.db2.gz XPWDJOJXRBYMIW-DOTOQJQBSA-N 1 3 282.472 3.046 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651911498 398306540 /nfs/dbraw/zinc/30/65/40/398306540.db2.gz BUUJJNVUWCGIGB-LJISPDSOSA-N 1 3 250.430 3.028 20 0 CGADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651911498 398306543 /nfs/dbraw/zinc/30/65/43/398306543.db2.gz BUUJJNVUWCGIGB-LJISPDSOSA-N 1 3 250.430 3.028 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423461702 529568201 /nfs/dbraw/zinc/56/82/01/529568201.db2.gz KDQZXZGRKBHTLU-ZRUFSTJUSA-N 1 3 272.845 3.220 20 0 CGADHO CC[C@H]([NH2+]CC(C)(C)CN1CCCC1)[C@@H]1C[C@H]1C ZINC000414152678 529589987 /nfs/dbraw/zinc/58/99/87/529589987.db2.gz ZYZCREYGNBXNIE-KFWWJZLASA-N 1 3 252.446 3.133 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)c1cccs1 ZINC000126091287 187216423 /nfs/dbraw/zinc/21/64/23/187216423.db2.gz MGJIHCLRUOXTNM-QWHCGFSZSA-N 1 3 266.454 3.133 20 0 CGADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCC1CCCC1 ZINC000371294446 282215260 /nfs/dbraw/zinc/21/52/60/282215260.db2.gz KVLQHKUUIHLILU-KURKYZTESA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000418104191 529682954 /nfs/dbraw/zinc/68/29/54/529682954.db2.gz KAHUVIRMEUIACO-IAGOWNOFSA-N 1 3 287.451 3.465 20 0 CGADHO CN1CC[C@H]([NH2+][C@H]2CCCOc3ccccc32)CC1(C)C ZINC000623387469 349796335 /nfs/dbraw/zinc/79/63/35/349796335.db2.gz DVDVHWXRZYMMGJ-HOCLYGCPSA-N 1 3 288.435 3.363 20 0 CGADHO CO[C@](C)(CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538702 349829390 /nfs/dbraw/zinc/82/93/90/349829390.db2.gz QSJIIYSPYNBXLE-SJLPKXTDSA-N 1 3 290.451 3.011 20 0 CGADHO CO[C@](C)(CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623538702 349829393 /nfs/dbraw/zinc/82/93/93/349829393.db2.gz QSJIIYSPYNBXLE-SJLPKXTDSA-N 1 3 290.451 3.011 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073103 529808647 /nfs/dbraw/zinc/80/86/47/529808647.db2.gz WHUPDEJGMXRPBX-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418073103 529808648 /nfs/dbraw/zinc/80/86/48/529808648.db2.gz WHUPDEJGMXRPBX-XWSJACJDSA-N 1 3 284.447 3.206 20 0 CGADHO Cc1ccc(SCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000351493166 219105061 /nfs/dbraw/zinc/10/50/61/219105061.db2.gz MDYHIFNUQOCAGT-XIRDDKMYSA-N 1 3 290.476 3.065 20 0 CGADHO CN1CCCC[C@@H](C[NH2+]C2CCC3(CC3)CC2)C1 ZINC000623657459 349859491 /nfs/dbraw/zinc/85/94/91/349859491.db2.gz RCZQYYXXGXHXQA-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657346 349859721 /nfs/dbraw/zinc/85/97/21/349859721.db2.gz OJSVMKIYSVTGKD-BBWFWOEESA-N 1 3 264.457 3.300 20 0 CGADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656730 349857739 /nfs/dbraw/zinc/85/77/39/349857739.db2.gz AMICCMVNKOMOMQ-OWCLPIDISA-N 1 3 252.446 3.134 20 0 CGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656864 349858066 /nfs/dbraw/zinc/85/80/66/349858066.db2.gz DKJFYLWDTDWPDR-ZBFHGGJFSA-N 1 3 278.415 3.078 20 0 CGADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000085386156 260203137 /nfs/dbraw/zinc/20/31/37/260203137.db2.gz UFTAORSVOZSVSD-LSDHHAIUSA-N 1 3 282.472 3.043 20 0 CGADHO CCC(O)(CC)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000305109322 282313446 /nfs/dbraw/zinc/31/34/46/282313446.db2.gz FFBNZMXGUJXXAL-DOTOQJQBSA-N 1 3 296.499 3.170 20 0 CGADHO CCC(O)(CC)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000305109322 282313449 /nfs/dbraw/zinc/31/34/49/282313449.db2.gz FFBNZMXGUJXXAL-DOTOQJQBSA-N 1 3 296.499 3.170 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000351577754 219131461 /nfs/dbraw/zinc/13/14/61/219131461.db2.gz FVUDUQLYABQCAM-ROUUACIJSA-N 1 3 289.467 3.114 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCc1ccncc1 ZINC000351577754 219131465 /nfs/dbraw/zinc/13/14/65/219131465.db2.gz FVUDUQLYABQCAM-ROUUACIJSA-N 1 3 289.467 3.114 20 0 CGADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(Cl)c2)C1 ZINC000351588362 219135900 /nfs/dbraw/zinc/13/59/00/219135900.db2.gz HJFFNHLEPLBELF-CYBMUJFWSA-N 1 3 284.806 3.253 20 0 CGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(Cl)c2)C1 ZINC000351588362 219135901 /nfs/dbraw/zinc/13/59/01/219135901.db2.gz HJFFNHLEPLBELF-CYBMUJFWSA-N 1 3 284.806 3.253 20 0 CGADHO C[NH2+]C[C@@H](C)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000423272296 529986076 /nfs/dbraw/zinc/98/60/76/529986076.db2.gz JTQINKDQDBTEEF-PBHICJAKSA-N 1 3 260.425 3.363 20 0 CGADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423270290 529999575 /nfs/dbraw/zinc/99/95/75/529999575.db2.gz HQDPDXQHFDEHAR-DUVNUKRYSA-N 1 3 280.843 3.421 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423270290 529999576 /nfs/dbraw/zinc/99/95/76/529999576.db2.gz HQDPDXQHFDEHAR-DUVNUKRYSA-N 1 3 280.843 3.421 20 0 CGADHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])Nc2ccccc2)C1 ZINC000066244620 345285709 /nfs/dbraw/zinc/28/57/09/345285709.db2.gz ZGKITQCDYWDDQW-CQSZACIVSA-N 1 3 288.439 3.133 20 0 CGADHO CCCOc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148584 345388865 /nfs/dbraw/zinc/38/88/65/345388865.db2.gz KMIKQJIMYBUPAE-INIZCTEOSA-N 1 3 276.424 3.179 20 0 CGADHO CCCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1 ZINC000070188906 345389719 /nfs/dbraw/zinc/38/97/19/345389719.db2.gz WFQXSXWKCHZOSB-UHFFFAOYSA-N 1 3 290.451 3.297 20 0 CGADHO CC(C)(C)OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000067716664 345330430 /nfs/dbraw/zinc/33/04/30/345330430.db2.gz CKOQBBXMSQVHSP-UHFFFAOYSA-N 1 3 296.499 3.390 20 0 CGADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)CN1CCCC1)CC2 ZINC000092837287 232181165 /nfs/dbraw/zinc/18/11/65/232181165.db2.gz AEOSSOJMWYBRAA-KSSFIOAISA-N 1 3 288.435 3.004 20 0 CGADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000094827299 345899171 /nfs/dbraw/zinc/89/91/71/345899171.db2.gz OQNXZNHOUASQTL-LBPRGKRZSA-N 1 3 282.378 3.347 20 0 CGADHO CCCC[C@H](COC)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000120744999 345999491 /nfs/dbraw/zinc/99/94/91/345999491.db2.gz QGCZSTLBBWORHH-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO CCCC[C@H](COC)NC1CC[NH+](CC2CCCC2)CC1 ZINC000120744999 345999493 /nfs/dbraw/zinc/99/94/93/345999493.db2.gz QGCZSTLBBWORHH-GOSISDBHSA-N 1 3 296.499 3.436 20 0 CGADHO CC(C)CN(Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000166144601 346186223 /nfs/dbraw/zinc/18/62/23/346186223.db2.gz JVWHAZWWDOZZBB-OAHLLOKOSA-N 1 3 280.843 3.408 20 0 CGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000246886547 346365564 /nfs/dbraw/zinc/36/55/64/346365564.db2.gz DCZZPSORQQTXHW-IXDOHACOSA-N 1 3 296.499 3.434 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000576464779 335207229 /nfs/dbraw/zinc/20/72/29/335207229.db2.gz OSQGPOJDLRIPQP-MNOVXSKESA-N 1 3 254.443 3.261 20 0 CGADHO Cc1cc(C)c([C@@H](C)N2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000312628063 346477669 /nfs/dbraw/zinc/47/76/69/346477669.db2.gz RPNRIBOXIUDIJB-SJLPKXTDSA-N 1 3 272.436 3.358 20 0 CGADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccs1 ZINC000624119384 349975792 /nfs/dbraw/zinc/97/57/92/349975792.db2.gz AMUBOUKHMOFXEC-CHWSQXEVSA-N 1 3 252.427 3.131 20 0 CGADHO CCSC1(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000596652339 347498319 /nfs/dbraw/zinc/49/83/19/347498319.db2.gz PTKCPPUAKHNKBE-KBPBESRZSA-N 1 3 270.486 3.173 20 0 CGADHO CC[NH+](CC)CC1CCN([C@H](C)c2ccncc2)CC1 ZINC000600633850 347820934 /nfs/dbraw/zinc/82/09/34/347820934.db2.gz WCGQKZQBQJJCAJ-OAHLLOKOSA-N 1 3 275.440 3.196 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624120095 349976437 /nfs/dbraw/zinc/97/64/37/349976437.db2.gz RGHIRDAEJSNEDH-CVEARBPZSA-N 1 3 290.451 3.468 20 0 CGADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120473 349977585 /nfs/dbraw/zinc/97/75/85/349977585.db2.gz ZYGPQFPGDXDGKX-QZTJIDSGSA-N 1 3 274.452 3.329 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccnc1 ZINC000624121787 349980714 /nfs/dbraw/zinc/98/07/14/349980714.db2.gz CXGOKBJIYDUMJF-NVXWUHKLSA-N 1 3 275.440 3.244 20 0 CGADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000624123052 349981914 /nfs/dbraw/zinc/98/19/14/349981914.db2.gz DVBCLHFYWJNLJT-GJZGRUSLSA-N 1 3 250.430 3.031 20 0 CGADHO CC[C@H](C)CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000339409414 215153763 /nfs/dbraw/zinc/15/37/63/215153763.db2.gz MFDBWHBIEZVGAN-DOTOQJQBSA-N 1 3 275.440 3.072 20 0 CGADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@]2(C)CCCOC2)CC1 ZINC000357873977 233020175 /nfs/dbraw/zinc/02/01/75/233020175.db2.gz RYCMNZKFYKUZNT-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@]2(C)CCCOC2)CC1 ZINC000357873977 233020178 /nfs/dbraw/zinc/02/01/78/233020178.db2.gz RYCMNZKFYKUZNT-NJAFHUGGSA-N 1 3 294.483 3.188 20 0 CGADHO COc1cc(C)c([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1C ZINC000273431847 192147655 /nfs/dbraw/zinc/14/76/55/192147655.db2.gz ZFONTXAZXGPVFY-OAHLLOKOSA-N 1 3 288.435 3.225 20 0 CGADHO CSc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000358035169 233043709 /nfs/dbraw/zinc/04/37/09/233043709.db2.gz NKSMSSPVNFXLGE-GOEBONIOSA-N 1 3 290.476 3.325 20 0 CGADHO CSc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000358035169 233043710 /nfs/dbraw/zinc/04/37/10/233043710.db2.gz NKSMSSPVNFXLGE-GOEBONIOSA-N 1 3 290.476 3.325 20 0 CGADHO CO[C@H]1C[C@@H](C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000624309342 350023084 /nfs/dbraw/zinc/02/30/84/350023084.db2.gz KGIDDWBZFVRXNK-CWLKWCNXSA-N 1 3 294.483 3.044 20 0 CGADHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190500 350432710 /nfs/dbraw/zinc/43/27/10/350432710.db2.gz IDVRXTBPZOMERR-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CCC[C@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190500 350432714 /nfs/dbraw/zinc/43/27/14/350432714.db2.gz IDVRXTBPZOMERR-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190500 350432716 /nfs/dbraw/zinc/43/27/16/350432716.db2.gz IDVRXTBPZOMERR-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@H]21 ZINC000628190500 350432720 /nfs/dbraw/zinc/43/27/20/350432720.db2.gz IDVRXTBPZOMERR-FUHWJXTLSA-N 1 3 283.419 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628252527 350466236 /nfs/dbraw/zinc/46/62/36/350466236.db2.gz XWLFOMBLXGRHGP-MRXNPFEDSA-N 1 3 271.408 3.084 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628252527 350466240 /nfs/dbraw/zinc/46/62/40/350466240.db2.gz XWLFOMBLXGRHGP-MRXNPFEDSA-N 1 3 271.408 3.084 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000628280108 350475257 /nfs/dbraw/zinc/47/52/57/350475257.db2.gz QMYWDCUFMXDAHD-GOSISDBHSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)CC1 ZINC000628280108 350475260 /nfs/dbraw/zinc/47/52/60/350475260.db2.gz QMYWDCUFMXDAHD-GOSISDBHSA-N 1 3 297.446 3.332 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280855 350476907 /nfs/dbraw/zinc/47/69/07/350476907.db2.gz MIEQSVRIWDDHIA-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280855 350476909 /nfs/dbraw/zinc/47/69/09/350476909.db2.gz MIEQSVRIWDDHIA-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280855 350476912 /nfs/dbraw/zinc/47/69/12/350476912.db2.gz MIEQSVRIWDDHIA-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc3[nH]ccc3c2)C1 ZINC000628280855 350476915 /nfs/dbraw/zinc/47/69/15/350476915.db2.gz MIEQSVRIWDDHIA-SJLPKXTDSA-N 1 3 283.419 3.084 20 0 CGADHO C[NH2+]CCOCCN[C@H](C)c1cccc(-c2ccccc2)c1 ZINC000629529230 350703691 /nfs/dbraw/zinc/70/36/91/350703691.db2.gz WECLCMUSLJKLHR-MRXNPFEDSA-N 1 3 298.430 3.240 20 0 CGADHO Cc1ccc2ncc(CN3CCC4(CC[NH2+]C4)CC3)cc2c1 ZINC000629532323 350705252 /nfs/dbraw/zinc/70/52/52/350705252.db2.gz VHOUGMSBQUAWIR-UHFFFAOYSA-N 1 3 295.430 3.119 20 0 CGADHO Cc1cccc(C[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C2CC2)c1 ZINC000629540745 350707851 /nfs/dbraw/zinc/70/78/51/350707851.db2.gz SPBLITMEICDWLS-OLMNPRSZSA-N 1 3 272.436 3.046 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(C(F)(F)F)CCCC1 ZINC000629550342 350711190 /nfs/dbraw/zinc/71/11/90/350711190.db2.gz LXDLVTXDYYAGPM-NEPJUHHUSA-N 1 3 278.362 3.359 20 0 CGADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1CC(F)(F)F ZINC000629554704 350711900 /nfs/dbraw/zinc/71/19/00/350711900.db2.gz OBESNXHHTGZFPY-MNOVXSKESA-N 1 3 274.330 3.007 20 0 CGADHO CC[NH2+]CC1CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000629513042 350699770 /nfs/dbraw/zinc/69/97/70/350699770.db2.gz JYJKQEGGGCSSAY-UHFFFAOYSA-N 1 3 289.467 3.335 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCCc2ncccc21)CN1CCCC1 ZINC000631621307 351093008 /nfs/dbraw/zinc/09/30/08/351093008.db2.gz OTKQMRIMNPWJKO-KRWDZBQOSA-N 1 3 287.451 3.171 20 0 CGADHO Cc1cc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc2cccnc12 ZINC000634732517 351578757 /nfs/dbraw/zinc/57/87/57/351578757.db2.gz IIIXLWLNRWXZPZ-QGZVFWFLSA-N 1 3 297.446 3.411 20 0 CGADHO C[C@H]([NH2+]C[C@]1(Cc2ccccc2)C=CCCC1)C1CNC1 ZINC000635021462 351632588 /nfs/dbraw/zinc/63/25/88/351632588.db2.gz OXOUWYALAZVTLG-QFBILLFUSA-N 1 3 284.447 3.153 20 0 CGADHO C[C@H](NC[C@]1(Cc2ccccc2)C=CCCC1)C1C[NH2+]C1 ZINC000635021462 351632592 /nfs/dbraw/zinc/63/25/92/351632592.db2.gz OXOUWYALAZVTLG-QFBILLFUSA-N 1 3 284.447 3.153 20 0 CGADHO Cc1scc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1C ZINC000635020125 351632807 /nfs/dbraw/zinc/63/28/07/351632807.db2.gz JVUDVZXJOFIPQA-UONOGXRCSA-N 1 3 252.427 3.115 20 0 CGADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000635012472 351630473 /nfs/dbraw/zinc/63/04/73/351630473.db2.gz UDQCARYYPNJMMZ-ZIAGYGMSSA-N 1 3 250.430 3.077 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000635012069 351630718 /nfs/dbraw/zinc/63/07/18/351630718.db2.gz JAVKDFDPXWBDCX-RYUDHWBXSA-N 1 3 261.413 3.078 20 0 CGADHO CC[C@@H]([NH2+]Cc1cccc2c1CCNC2)C1CCC1 ZINC000635012536 351630722 /nfs/dbraw/zinc/63/07/22/351630722.db2.gz VUBLDYBIOKUOHN-QGZVFWFLSA-N 1 3 258.409 3.001 20 0 CGADHO CN(C)Cc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000123706997 187105689 /nfs/dbraw/zinc/10/56/89/187105689.db2.gz VLDVRRATTQIVEL-MRXNPFEDSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000156091388 188242289 /nfs/dbraw/zinc/24/22/89/188242289.db2.gz AXBRFLXKXQCVOO-BPQIPLTHSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000156091388 188242291 /nfs/dbraw/zinc/24/22/91/188242291.db2.gz AXBRFLXKXQCVOO-BPQIPLTHSA-N 1 3 272.436 3.397 20 0 CGADHO CC[NH+](CC)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000156927377 188288824 /nfs/dbraw/zinc/28/88/24/188288824.db2.gz PIZASMCSXXDIFK-UHFFFAOYSA-N 1 3 289.467 3.059 20 0 CGADHO Fc1ccc2c(c1)[C@@H](N1CCC([C@H]3CC[NH2+]C3)CC1)CC2 ZINC000357089563 283001250 /nfs/dbraw/zinc/00/12/50/283001250.db2.gz QCYIXISCSBNCIP-YJBOKZPZSA-N 1 3 288.410 3.135 20 0 CGADHO C[C@H]1CSC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000335944871 291025258 /nfs/dbraw/zinc/02/52/58/291025258.db2.gz IIQCJBSWGNYMFZ-BBRMVZONSA-N 1 3 282.497 3.125 20 0 CGADHO C[C@H]1CSC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335944871 291025261 /nfs/dbraw/zinc/02/52/61/291025261.db2.gz IIQCJBSWGNYMFZ-BBRMVZONSA-N 1 3 282.497 3.125 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC2=CCN(C)CC2)c(C)s1 ZINC000271823894 191348684 /nfs/dbraw/zinc/34/86/84/191348684.db2.gz CRXIVHVMCFPCJL-GFCCVEGCSA-N 1 3 264.438 3.277 20 0 CGADHO Cc1ccc(C[C@H]([NH2+]CC2=CCN(C)CC2)C2CC2)cc1 ZINC000271822210 191349588 /nfs/dbraw/zinc/34/95/88/191349588.db2.gz CKGZGCJYQSSCOV-IBGZPJMESA-N 1 3 284.447 3.168 20 0 CGADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271891770 191393286 /nfs/dbraw/zinc/39/32/86/191393286.db2.gz SCYWINWGEGUFMZ-GJZGRUSLSA-N 1 3 258.409 3.030 20 0 CGADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414819010 235474161 /nfs/dbraw/zinc/47/41/61/235474161.db2.gz GKOJWQLPXGEZOE-UAGQMJEPSA-N 1 3 260.425 3.430 20 0 CGADHO C[NH+](C)CCCC1CCN(Cc2cccs2)CC1 ZINC000093688426 138348339 /nfs/dbraw/zinc/34/83/39/138348339.db2.gz QTFZVLHMCRFDNW-UHFFFAOYSA-N 1 3 266.454 3.302 20 0 CGADHO C[C@H](NCCC[NH+]1CCCCC1)[C@H]1COc2ccccc21 ZINC000119483404 138366756 /nfs/dbraw/zinc/36/67/56/138366756.db2.gz JCVNHKNGTWQBTC-DOTOQJQBSA-N 1 3 288.435 3.017 20 0 CGADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000125326167 138381336 /nfs/dbraw/zinc/38/13/36/138381336.db2.gz VLZCEGAIARFNCL-GFCCVEGCSA-N 1 3 282.378 3.347 20 0 CGADHO Cc1ccccc1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422765000 235915397 /nfs/dbraw/zinc/91/53/97/235915397.db2.gz VSYDUNVBSACOSE-CQSZACIVSA-N 1 3 283.419 3.050 20 0 CGADHO C[C@@H](CCC[NH3+])N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000423025914 235959540 /nfs/dbraw/zinc/95/95/40/235959540.db2.gz PLVJZYRQIYEMSX-GUYCJALGSA-N 1 3 287.382 3.027 20 0 CGADHO C[C@H]([NH3+])CCN[C@H](Cc1ccccc1F)c1ccccc1 ZINC000423226348 236002541 /nfs/dbraw/zinc/00/25/41/236002541.db2.gz QKFFZTWTLWOHKL-KBXCAEBGSA-N 1 3 286.394 3.436 20 0 CGADHO C[C@H]([NH3+])CCN[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423228236 236003272 /nfs/dbraw/zinc/00/32/72/236003272.db2.gz YWKHJLUYNPSAPH-IINYFYTJSA-N 1 3 297.240 3.227 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423295527 236028304 /nfs/dbraw/zinc/02/83/04/236028304.db2.gz FAIYPNVYEYOUAQ-BDAKNGLRSA-N 1 3 261.196 3.239 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@@H]1C[C@H]1c1ccccc1 ZINC000423268827 236014957 /nfs/dbraw/zinc/01/49/57/236014957.db2.gz FCAZRZPIYDJDQM-PEJOBZMASA-N 1 3 272.436 3.286 20 0 CGADHO Cc1cc([C@@H](C)NC[C@@H](C)C[NH3+])sc1Br ZINC000423310218 236033855 /nfs/dbraw/zinc/03/38/55/236033855.db2.gz RKYWPPSRFQEOSF-IONNQARKSA-N 1 3 291.258 3.064 20 0 CGADHO CCC[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2ccccc21 ZINC000226436189 283280187 /nfs/dbraw/zinc/28/01/87/283280187.db2.gz ZARAXXIRGJJIIG-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCc2ccccc21 ZINC000226436189 283280189 /nfs/dbraw/zinc/28/01/89/283280189.db2.gz ZARAXXIRGJJIIG-CRAIPNDOSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCCc2ccccc21 ZINC000423364689 236051405 /nfs/dbraw/zinc/05/14/05/236051405.db2.gz CSFLWTQCLWPXKN-XOKHGSTOSA-N 1 3 258.409 3.042 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000423364689 236051408 /nfs/dbraw/zinc/05/14/08/236051408.db2.gz CSFLWTQCLWPXKN-XOKHGSTOSA-N 1 3 258.409 3.042 20 0 CGADHO Cc1cc([C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C2CC2)ccc1F ZINC000423365924 236051571 /nfs/dbraw/zinc/05/15/71/236051571.db2.gz CEXPCJDRULMJKP-XGWLTEMNSA-N 1 3 276.399 3.315 20 0 CGADHO Cc1cccnc1[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423365168 236051864 /nfs/dbraw/zinc/05/18/64/236051864.db2.gz PGYITXGWPFHSMK-SIXLDLHFSA-N 1 3 287.451 3.004 20 0 CGADHO Cc1ccc([C@H](N[C@H]2CC[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000423406332 236066584 /nfs/dbraw/zinc/06/65/84/236066584.db2.gz UQWRIOIQGKWJPG-COXVUDFISA-N 1 3 258.409 3.034 20 0 CGADHO Cc1ccc([C@H]([NH2+][C@H]2CCNC[C@H]2C)C2CC2)cc1 ZINC000423406332 236066586 /nfs/dbraw/zinc/06/65/86/236066586.db2.gz UQWRIOIQGKWJPG-COXVUDFISA-N 1 3 258.409 3.034 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000423465865 236077793 /nfs/dbraw/zinc/07/77/93/236077793.db2.gz HYRQDLZELIMSIG-WDYCEAGBSA-N 1 3 295.430 3.278 20 0 CGADHO Clc1ccc([C@H]2CCC[C@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423470589 236079356 /nfs/dbraw/zinc/07/93/56/236079356.db2.gz ZESNANBIKANMAH-ZZTPXLKCSA-N 1 3 290.838 3.174 20 0 CGADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000424277464 236140227 /nfs/dbraw/zinc/14/02/27/236140227.db2.gz ALRJFTGWZOERHL-CHWSQXEVSA-N 1 3 272.314 3.065 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@H]5C[C@H]5C4)[C@H]3C2)cc1 ZINC000424347979 236154628 /nfs/dbraw/zinc/15/46/28/236154628.db2.gz KMDNHIMWJMQBCP-MJUPKGCFSA-N 1 3 296.458 3.285 20 0 CGADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[C@H]5C[C@H]5C4)[C@@H]3C2)cc1 ZINC000424347977 236154908 /nfs/dbraw/zinc/15/49/08/236154908.db2.gz KMDNHIMWJMQBCP-GXUNQHPWSA-N 1 3 296.458 3.285 20 0 CGADHO c1ccc([C@@H]2CC[C@@H]([NH2+]CCCN3CCCC3)C2)cc1 ZINC000436282378 237070197 /nfs/dbraw/zinc/07/01/97/237070197.db2.gz SJVQSEFQFDWTSZ-QZTJIDSGSA-N 1 3 272.436 3.398 20 0 CGADHO C[C@H](NCC1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000297152599 200099079 /nfs/dbraw/zinc/09/90/79/200099079.db2.gz GFIYYSRKFKCORP-JTQLQIEISA-N 1 3 270.779 3.129 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl ZINC000181182003 189290416 /nfs/dbraw/zinc/29/04/16/189290416.db2.gz ORDXWVOXARXCTR-MCIONIFRSA-N 1 3 296.842 3.180 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Cl ZINC000181182003 189290417 /nfs/dbraw/zinc/29/04/17/189290417.db2.gz ORDXWVOXARXCTR-MCIONIFRSA-N 1 3 296.842 3.180 20 0 CGADHO Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)ccc1F ZINC000342319667 216309151 /nfs/dbraw/zinc/30/91/51/216309151.db2.gz NKHPQNDBYWLJSK-HIFRSBDPSA-N 1 3 264.388 3.269 20 0 CGADHO C[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082899 239167037 /nfs/dbraw/zinc/16/70/37/239167037.db2.gz QOVUNAYGJNGJDI-DQYPLSBCSA-N 1 3 294.389 3.285 20 0 CGADHO C[C@H](CN[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc(F)c1 ZINC000449082899 239167039 /nfs/dbraw/zinc/16/70/39/239167039.db2.gz QOVUNAYGJNGJDI-DQYPLSBCSA-N 1 3 294.389 3.285 20 0 CGADHO Cc1ccc2nccc(N(C)C[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000302141760 201361614 /nfs/dbraw/zinc/36/16/14/201361614.db2.gz FGZNPGCLIZANME-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO Cc1ccc2nccc(N(C)C[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000302141760 201361617 /nfs/dbraw/zinc/36/16/17/201361617.db2.gz FGZNPGCLIZANME-HNNXBMFYSA-N 1 3 283.419 3.321 20 0 CGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Cl)s2)C1 ZINC000459739176 242200605 /nfs/dbraw/zinc/20/06/05/242200605.db2.gz SFYTUWPTXGIBSJ-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Cl)s2)C1 ZINC000459739176 242200610 /nfs/dbraw/zinc/20/06/10/242200610.db2.gz SFYTUWPTXGIBSJ-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CCCC[C@H]1C ZINC000449086251 299387750 /nfs/dbraw/zinc/38/77/50/299387750.db2.gz BLCADQFLKGAPSW-JJTUDDRGSA-N 1 3 264.457 3.418 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000019943368 368787635 /nfs/dbraw/zinc/78/76/35/368787635.db2.gz VAUYUPSGONPVEX-QGZVFWFLSA-N 1 3 260.425 3.386 20 0 CGADHO CCN(CC)CCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019943074 368787765 /nfs/dbraw/zinc/78/77/65/368787765.db2.gz VJUFAFSJKSFTHE-HNNXBMFYSA-N 1 3 278.440 3.035 20 0 CGADHO CCN(CC)CCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000019943077 368787921 /nfs/dbraw/zinc/78/79/21/368787921.db2.gz VJUFAFSJKSFTHE-OAHLLOKOSA-N 1 3 278.440 3.035 20 0 CGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000032181763 368928932 /nfs/dbraw/zinc/92/89/32/368928932.db2.gz ZPCLLMZNUWNZQP-INIZCTEOSA-N 1 3 298.430 3.478 20 0 CGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000036908179 369036642 /nfs/dbraw/zinc/03/66/42/369036642.db2.gz IXDJTMHCCFPVMH-BZPMIXESSA-N 1 3 298.377 3.106 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000037644264 369095682 /nfs/dbraw/zinc/09/56/82/369095682.db2.gz NXEGCARUFVFBSK-RYUDHWBXSA-N 1 3 284.806 3.472 20 0 CGADHO CC[C@H]([NH2+]CC1CCN(C)CC1)c1cccs1 ZINC000044515994 369264194 /nfs/dbraw/zinc/26/41/94/369264194.db2.gz KGPURJCBKZROGV-ZDUSSCGKSA-N 1 3 252.427 3.131 20 0 CGADHO CN1CCC[C@H]1CC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494105431 244262319 /nfs/dbraw/zinc/26/23/19/244262319.db2.gz IKSQKQIDQWASPT-HNNXBMFYSA-N 1 3 271.408 3.084 20 0 CGADHO CN1CCC[C@H]1CC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494105431 244262324 /nfs/dbraw/zinc/26/23/24/244262324.db2.gz IKSQKQIDQWASPT-HNNXBMFYSA-N 1 3 271.408 3.084 20 0 CGADHO CCc1nc(CN[C@H](C)CCC[NH+](CC)CC)cs1 ZINC000054918105 369507350 /nfs/dbraw/zinc/50/73/50/369507350.db2.gz OGSWYJZSARYSTQ-CYBMUJFWSA-N 1 3 283.485 3.306 20 0 CGADHO CC[NH+]1CCC(N[C@H]2CCCc3sccc32)CC1 ZINC000061328695 369598477 /nfs/dbraw/zinc/59/84/77/369598477.db2.gz JWGSXFUUTQVWDP-AWEZNQCLSA-N 1 3 264.438 3.199 20 0 CGADHO C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000089428379 370042486 /nfs/dbraw/zinc/04/24/86/370042486.db2.gz NDJOTPNDDJRAAC-ZVZYQTTQSA-N 1 3 290.426 3.488 20 0 CGADHO C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000089428379 370042488 /nfs/dbraw/zinc/04/24/88/370042488.db2.gz NDJOTPNDDJRAAC-ZVZYQTTQSA-N 1 3 290.426 3.488 20 0 CGADHO CC[C@@H](C)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000093066477 370105643 /nfs/dbraw/zinc/10/56/43/370105643.db2.gz ZYRQSKZHNKVRNL-CQSZACIVSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CCn1cccc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089416 370108813 /nfs/dbraw/zinc/10/88/13/370108813.db2.gz PDGLBLQKMZCASJ-UHFFFAOYSA-N 1 3 291.483 3.308 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cc(C)ccc1OC ZINC000093399173 370122372 /nfs/dbraw/zinc/12/23/72/370122372.db2.gz KOOARLQPIYCFPJ-WBVHZDCISA-N 1 3 290.451 3.386 20 0 CGADHO c1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488183 370136072 /nfs/dbraw/zinc/13/60/72/370136072.db2.gz SQSXJNYEGXHVNA-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)cc1 ZINC000093488183 370136074 /nfs/dbraw/zinc/13/60/74/370136074.db2.gz SQSXJNYEGXHVNA-OKZBNKHCSA-N 1 3 272.436 3.130 20 0 CGADHO COC[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512331882 245032305 /nfs/dbraw/zinc/03/23/05/245032305.db2.gz LVUYNFDRFPOIPO-ZACQAIPSSA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512331882 245032310 /nfs/dbraw/zinc/03/23/10/245032310.db2.gz LVUYNFDRFPOIPO-ZACQAIPSSA-N 1 3 296.499 3.290 20 0 CGADHO COC[C@H](CC(C)C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512331882 245032313 /nfs/dbraw/zinc/03/23/13/245032313.db2.gz LVUYNFDRFPOIPO-ZACQAIPSSA-N 1 3 296.499 3.290 20 0 CGADHO CN(C)C[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000113516076 370476473 /nfs/dbraw/zinc/47/64/73/370476473.db2.gz ZCFMSVHSDXVSLQ-ZDUSSCGKSA-N 1 3 274.433 3.285 20 0 CGADHO CN(C)C[C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000113516076 370476479 /nfs/dbraw/zinc/47/64/79/370476479.db2.gz ZCFMSVHSDXVSLQ-ZDUSSCGKSA-N 1 3 274.433 3.285 20 0 CGADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1csc2ccccc12 ZINC000131713493 371125626 /nfs/dbraw/zinc/12/56/26/371125626.db2.gz LROOWQLGUCRAIK-NWDGAFQWSA-N 1 3 260.406 3.070 20 0 CGADHO CCc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)CN(C)C)CCC2 ZINC000132139197 371155018 /nfs/dbraw/zinc/15/50/18/371155018.db2.gz MOQQEFJKPDFCTN-LBPRGKRZSA-N 1 3 295.496 3.260 20 0 CGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000133639106 371268094 /nfs/dbraw/zinc/26/80/94/371268094.db2.gz OKDNIKYVSFDDCV-XUJVJEKNSA-N 1 3 298.377 3.106 20 0 CGADHO C[C@H](Cc1ccccc1F)NCCC[NH+]1CCCCC1 ZINC000134094356 371303193 /nfs/dbraw/zinc/30/31/93/371303193.db2.gz CBGDCLJFJRPUQU-OAHLLOKOSA-N 1 3 278.415 3.222 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000344029876 217018222 /nfs/dbraw/zinc/01/82/22/217018222.db2.gz CPOCRGWIMUXUPN-CXAGYDPISA-N 1 3 276.399 3.135 20 0 CGADHO C[C@@H]([NH2+]C1CCCC1)c1ccc(OCCN(C)C)cc1 ZINC000151226293 371582574 /nfs/dbraw/zinc/58/25/74/371582574.db2.gz PKHSVWSPIHRKJX-CQSZACIVSA-N 1 3 276.424 3.220 20 0 CGADHO COC1([C@H](C)NC2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC000421832479 371655752 /nfs/dbraw/zinc/65/57/52/371655752.db2.gz MQCKPBQQPXVURG-HNNXBMFYSA-N 1 3 294.483 3.331 20 0 CGADHO COc1cc(Cl)ccc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000421839588 371662861 /nfs/dbraw/zinc/66/28/61/371662861.db2.gz XUAKYIGVCSMPDW-LBPRGKRZSA-N 1 3 294.826 3.261 20 0 CGADHO COc1cc(Cl)ccc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000421839588 371662867 /nfs/dbraw/zinc/66/28/67/371662867.db2.gz XUAKYIGVCSMPDW-LBPRGKRZSA-N 1 3 294.826 3.261 20 0 CGADHO COC1([C@H](C)[NH2+]C[C@H]2CCCN(CC(C)C)C2)CCCC1 ZINC000421840006 371663348 /nfs/dbraw/zinc/66/33/48/371663348.db2.gz ZHZXUPIBFJLKAB-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000421840006 371663355 /nfs/dbraw/zinc/66/33/55/371663355.db2.gz ZHZXUPIBFJLKAB-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO COC1([C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CCCC1 ZINC000421840006 371663358 /nfs/dbraw/zinc/66/33/58/371663358.db2.gz ZHZXUPIBFJLKAB-DLBZAZTESA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)Cc1ccccc1 ZINC000152734017 371719547 /nfs/dbraw/zinc/71/95/47/371719547.db2.gz KYZWLMAXETZUBR-JQHSSLGASA-N 1 3 274.452 3.328 20 0 CGADHO CC(C)c1ccc(CCC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000422762729 371791803 /nfs/dbraw/zinc/79/18/03/371791803.db2.gz OCFRPQHXMBNCEW-ROUUACIJSA-N 1 3 274.452 3.460 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000422712775 371763588 /nfs/dbraw/zinc/76/35/88/371763588.db2.gz OREGSQMRCRZQSP-RDJZCZTQSA-N 1 3 274.452 3.250 20 0 CGADHO Cc1[nH]c2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2c1C ZINC000422722267 371767295 /nfs/dbraw/zinc/76/72/95/371767295.db2.gz PAJFBGVABNEHIP-GDBMZVCRSA-N 1 3 271.408 3.002 20 0 CGADHO C(CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCOC1CCCCC1 ZINC000422719293 371768191 /nfs/dbraw/zinc/76/81/91/371768191.db2.gz YJGUOJNVJFZRCI-SJPCQFCGSA-N 1 3 294.483 3.379 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422720182 371768442 /nfs/dbraw/zinc/76/84/42/371768442.db2.gz ZXMLXDSJDRPHEQ-AEFFLSMTSA-N 1 3 296.499 3.484 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422727058 371769694 /nfs/dbraw/zinc/76/96/94/371769694.db2.gz BKGAWQKXIGKWPE-RYUDHWBXSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccc(Cl)cc1 ZINC000422727058 371769697 /nfs/dbraw/zinc/76/96/97/371769697.db2.gz BKGAWQKXIGKWPE-RYUDHWBXSA-N 1 3 268.832 3.333 20 0 CGADHO C[C@H](COc1ccc(C(C)(C)C)cc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422745193 371779488 /nfs/dbraw/zinc/77/94/88/371779488.db2.gz XGRGQQOUPFEVLQ-SOUVJXGZSA-N 1 3 292.467 3.467 20 0 CGADHO Clc1cccc(C2(CN[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000422757975 371789861 /nfs/dbraw/zinc/78/98/61/371789861.db2.gz DKDJMTAHOJOGIL-OAHLLOKOSA-N 1 3 278.827 3.103 20 0 CGADHO Clc1cccc(C2(C[NH2+][C@@H]3CCCNCC3)CC2)c1 ZINC000422757975 371789874 /nfs/dbraw/zinc/78/98/74/371789874.db2.gz DKDJMTAHOJOGIL-OAHLLOKOSA-N 1 3 278.827 3.103 20 0 CGADHO CC[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Oc1ccccc1Cl ZINC000422836212 371831726 /nfs/dbraw/zinc/83/17/26/371831726.db2.gz JPQINBHLBFMNBP-GZBFAFLISA-N 1 3 296.842 3.214 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Oc1ccccc1Cl ZINC000422836212 371831739 /nfs/dbraw/zinc/83/17/39/371831739.db2.gz JPQINBHLBFMNBP-GZBFAFLISA-N 1 3 296.842 3.214 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000422835764 371832721 /nfs/dbraw/zinc/83/27/21/371832721.db2.gz JAVZVOMYXRSPNU-DOTOQJQBSA-N 1 3 274.452 3.244 20 0 CGADHO Cc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422795458 371813874 /nfs/dbraw/zinc/81/38/74/371813874.db2.gz VPAIBDVJKOQLBQ-ZMYBRWDISA-N 1 3 296.414 3.497 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422803700 371817808 /nfs/dbraw/zinc/81/78/08/371817808.db2.gz GGFFNPONHICYIP-WFFDWFOESA-N 1 3 290.426 3.265 20 0 CGADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422802368 371818416 /nfs/dbraw/zinc/81/84/16/371818416.db2.gz BGHGQIQJOZUOHP-VBQJREDUSA-N 1 3 275.440 3.468 20 0 CGADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000422804309 371821064 /nfs/dbraw/zinc/82/10/64/371821064.db2.gz HHVARRHTYNPMRE-VBJONLRCSA-N 1 3 260.425 3.428 20 0 CGADHO CC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)Oc1ccccc1F ZINC000422814817 371826402 /nfs/dbraw/zinc/82/64/02/371826402.db2.gz AGNLVZQJGMQULQ-OFQRWUPVSA-N 1 3 294.414 3.103 20 0 CGADHO CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])c1ccccc1F ZINC000422856307 371843403 /nfs/dbraw/zinc/84/34/03/371843403.db2.gz WUPQGZMEFRMQTR-CVEARBPZSA-N 1 3 278.415 3.353 20 0 CGADHO CCCCC1CCC(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000422946084 371885033 /nfs/dbraw/zinc/88/50/33/371885033.db2.gz OHZUONZXUWZIST-NFOMZHRRSA-N 1 3 252.446 3.181 20 0 CGADHO CSc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422877522 371850311 /nfs/dbraw/zinc/85/03/11/371850311.db2.gz HZAASFBOOACFJE-CABCVRRESA-N 1 3 264.438 3.158 20 0 CGADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000422877997 371850415 /nfs/dbraw/zinc/85/04/15/371850415.db2.gz INCRUODSUGBKGU-OALUTQOASA-N 1 3 296.414 3.235 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422901104 371861656 /nfs/dbraw/zinc/86/16/56/371861656.db2.gz BNJUECZHFDHKAA-DZGCQCFKSA-N 1 3 276.449 3.028 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCC1(Sc2ccccc2)CC1 ZINC000422901104 371861660 /nfs/dbraw/zinc/86/16/60/371861660.db2.gz BNJUECZHFDHKAA-DZGCQCFKSA-N 1 3 276.449 3.028 20 0 CGADHO CO[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422919309 371870081 /nfs/dbraw/zinc/87/00/81/371870081.db2.gz JNCUFXPFRYIXHQ-VNQPRFMTSA-N 1 3 296.842 3.135 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCN1 ZINC000422853052 371840531 /nfs/dbraw/zinc/84/05/31/371840531.db2.gz RUKMMMUCHQOYCL-UMSGYPCISA-N 1 3 278.362 3.085 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccc1F ZINC000422852817 371840925 /nfs/dbraw/zinc/84/09/25/371840925.db2.gz REIJAMSZBSHISB-XJKSGUPXSA-N 1 3 278.415 3.210 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422853047 371841184 /nfs/dbraw/zinc/84/11/84/371841184.db2.gz RUKMMMUCHQOYCL-CYDGBPFRSA-N 1 3 278.362 3.085 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423049341 371934738 /nfs/dbraw/zinc/93/47/38/371934738.db2.gz JPRLEYSBSWMZLX-PBHICJAKSA-N 1 3 296.405 3.395 20 0 CGADHO Cc1ccc2c(CC[NH2+][C@H]3CCCC[C@H]3CN)cn(C)c2c1 ZINC000423057917 371939191 /nfs/dbraw/zinc/93/91/91/371939191.db2.gz ILSDWIFRARNXLB-YJBOKZPZSA-N 1 3 299.462 3.136 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423062880 371940978 /nfs/dbraw/zinc/94/09/78/371940978.db2.gz VBRBGEWHGHNTPA-NXNVCVFFSA-N 1 3 260.425 3.113 20 0 CGADHO c1ccc([C@H]2C[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422966566 371895926 /nfs/dbraw/zinc/89/59/26/371895926.db2.gz NTAWFCVXYFSHKW-IEWDOMPSSA-N 1 3 284.447 3.443 20 0 CGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422986444 371903490 /nfs/dbraw/zinc/90/34/90/371903490.db2.gz GUSDIGBJDGDXSB-YOEHRIQHSA-N 1 3 290.426 3.126 20 0 CGADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c2ccccc21 ZINC000422987339 371903757 /nfs/dbraw/zinc/90/37/57/371903757.db2.gz FYLYMAHYVCFWGR-MDMHHNQBSA-N 1 3 290.410 3.307 20 0 CGADHO CCC(CC)[C@H](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OC ZINC000423000295 371907229 /nfs/dbraw/zinc/90/72/29/371907229.db2.gz UYTKTYPRAHXBGW-MHORFTMASA-N 1 3 296.499 3.338 20 0 CGADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1c2ccccc2CCC1(C)C ZINC000423026036 371922666 /nfs/dbraw/zinc/92/26/66/371922666.db2.gz MUCKBWLYHYHKHO-XEZPLFJOSA-N 1 3 260.425 3.416 20 0 CGADHO Cc1cnc([C@H](C)CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000423032978 371926697 /nfs/dbraw/zinc/92/66/97/371926697.db2.gz FWEOECTZJKOPJY-VNHYZAJKSA-N 1 3 295.496 3.455 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423098844 371962688 /nfs/dbraw/zinc/96/26/88/371962688.db2.gz SQHINYKGBWIMQT-NGFQHRJXSA-N 1 3 298.352 3.421 20 0 CGADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423101279 371966343 /nfs/dbraw/zinc/96/63/43/371966343.db2.gz VTXKQHATMYKMBY-IGQOVBAYSA-N 1 3 264.388 3.177 20 0 CGADHO CC(C)c1ccc(O[C@H](C)CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423105862 371971077 /nfs/dbraw/zinc/97/10/77/371971077.db2.gz IXWXGXMLTVTEDO-SOUVJXGZSA-N 1 3 278.440 3.293 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423110268 371973226 /nfs/dbraw/zinc/97/32/26/371973226.db2.gz VKXIVOSQTVXQLU-ITDKRANNSA-N 1 3 296.817 3.442 20 0 CGADHO CC(F)(F)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423131685 371982266 /nfs/dbraw/zinc/98/22/66/371982266.db2.gz IBSGXNNALYPWMG-UKRRQHHQSA-N 1 3 282.378 3.405 20 0 CGADHO COC[C@@H](N[C@@H](C)CCCC[NH3+])c1cccc(Cl)c1 ZINC000423130425 371982355 /nfs/dbraw/zinc/98/23/55/371982355.db2.gz YGZRFBIRKZYIIG-SWLSCSKDSA-N 1 3 284.831 3.135 20 0 CGADHO Cc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@H](N)c3ccccc31)C2 ZINC000423139944 371986167 /nfs/dbraw/zinc/98/61/67/371986167.db2.gz LPHLAMDBNGIQHY-OLMNPRSZSA-N 1 3 294.398 3.033 20 0 CGADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)C1(O)CCCC1 ZINC000423158183 371995761 /nfs/dbraw/zinc/99/57/61/371995761.db2.gz CIIRFVQHZHITJB-CVEARBPZSA-N 1 3 296.499 3.218 20 0 CGADHO Cc1cccnc1CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423158053 371996095 /nfs/dbraw/zinc/99/60/95/371996095.db2.gz WCQYGTTZWWXIPB-SJLPKXTDSA-N 1 3 281.403 3.057 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)C1(O)CCCC1 ZINC000423158184 371996757 /nfs/dbraw/zinc/99/67/57/371996757.db2.gz CIIRFVQHZHITJB-HOTGVXAUSA-N 1 3 296.499 3.218 20 0 CGADHO [NH3+][C@@H]1C[C@@H](N2CCC[C@@]3(CCSC3)C2)c2ccccc21 ZINC000423168191 371999545 /nfs/dbraw/zinc/99/95/45/371999545.db2.gz XOQMNSFIUOSGHF-BRWVUGGUSA-N 1 3 288.460 3.350 20 0 CGADHO C[C@@H]([NH3+])C[C@@H](C)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423168226 372000446 /nfs/dbraw/zinc/00/04/46/372000446.db2.gz XVSWDESDSZLEII-CHWSQXEVSA-N 1 3 296.405 3.345 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@H]2CN(C)CC[C@H]21)c1ccc(F)cc1 ZINC000290488546 372000543 /nfs/dbraw/zinc/00/05/43/372000543.db2.gz OLCWDUQMECIYCA-UWWQBHOKSA-N 1 3 290.426 3.345 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@H]2CN(C)CC[C@H]21)c1ccc(F)cc1 ZINC000290488546 372000547 /nfs/dbraw/zinc/00/05/47/372000547.db2.gz OLCWDUQMECIYCA-UWWQBHOKSA-N 1 3 290.426 3.345 20 0 CGADHO Fc1ccccc1[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423168432 372000629 /nfs/dbraw/zinc/00/06/29/372000629.db2.gz HKGOQBWXBABIRP-FZMABENVSA-N 1 3 288.410 3.192 20 0 CGADHO COCCCC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000423081669 371951631 /nfs/dbraw/zinc/95/16/31/371951631.db2.gz BVVSUKQPICRQOK-VYDXJSESSA-N 1 3 278.440 3.260 20 0 CGADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423089795 371956257 /nfs/dbraw/zinc/95/62/57/371956257.db2.gz WAPZURVWFRIMBK-UWIFEVILSA-N 1 3 290.426 3.440 20 0 CGADHO CC1CCC(C)(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423089024 371956693 /nfs/dbraw/zinc/95/66/93/371956693.db2.gz UHBJWSHDRQKFCM-KDJGIRDZSA-N 1 3 250.430 3.075 20 0 CGADHO COc1ccc([C@@H](CCC(C)C)NCCC[NH3+])cc1 ZINC000423193464 372019404 /nfs/dbraw/zinc/01/94/04/372019404.db2.gz QTARRNHRVCYISP-MRXNPFEDSA-N 1 3 264.413 3.111 20 0 CGADHO Cc1ccc(Br)c(CN[C@H](C)CCCC[NH3+])c1 ZINC000423193753 372019687 /nfs/dbraw/zinc/01/96/87/372019687.db2.gz WDYVUZOESLTDFA-GFCCVEGCSA-N 1 3 299.256 3.365 20 0 CGADHO C[NH2+]CCCN[C@@H](c1ccccc1C)C1CCCC1 ZINC000423200518 372025172 /nfs/dbraw/zinc/02/51/72/372025172.db2.gz MHQIJEALSJXSLD-QGZVFWFLSA-N 1 3 260.425 3.425 20 0 CGADHO CNCCC[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000423200518 372025179 /nfs/dbraw/zinc/02/51/79/372025179.db2.gz MHQIJEALSJXSLD-QGZVFWFLSA-N 1 3 260.425 3.425 20 0 CGADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000423202021 372026942 /nfs/dbraw/zinc/02/69/42/372026942.db2.gz ADIFXGORRAHROI-IIAWOOMASA-N 1 3 258.409 3.133 20 0 CGADHO C[NH2+]CCCN[C@H](c1ccc(C)cc1)C1CCCC1 ZINC000423204097 372028118 /nfs/dbraw/zinc/02/81/18/372028118.db2.gz UJUZFNYSKOKNFX-KRWDZBQOSA-N 1 3 260.425 3.425 20 0 CGADHO CNCCC[NH2+][C@H](c1ccc(C)cc1)C1CCCC1 ZINC000423204097 372028123 /nfs/dbraw/zinc/02/81/23/372028123.db2.gz UJUZFNYSKOKNFX-KRWDZBQOSA-N 1 3 260.425 3.425 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423208395 372031048 /nfs/dbraw/zinc/03/10/48/372031048.db2.gz HVTDMFWZIIHHAA-HZPDHXFCSA-N 1 3 295.430 3.399 20 0 CGADHO c1ccc2c(c1)[nH]c1c2CCC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423208833 372032325 /nfs/dbraw/zinc/03/23/25/372032325.db2.gz HZOXHPDJTINNBA-GUYCJALGSA-N 1 3 283.419 3.135 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423397702 372060845 /nfs/dbraw/zinc/06/08/45/372060845.db2.gz OLCAQMSAJMXLEL-BSWAZPDLSA-N 1 3 272.436 3.156 20 0 CGADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423397702 372060847 /nfs/dbraw/zinc/06/08/47/372060847.db2.gz OLCAQMSAJMXLEL-BSWAZPDLSA-N 1 3 272.436 3.156 20 0 CGADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423270700 372045489 /nfs/dbraw/zinc/04/54/89/372045489.db2.gz IDAUVJOFXXSMPG-RWMBFGLXSA-N 1 3 291.464 3.233 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)c2ccccc21 ZINC000423391767 372058935 /nfs/dbraw/zinc/05/89/35/372058935.db2.gz LAKUMGPWVGJPRI-RUGDWHBFSA-N 1 3 272.436 3.459 20 0 CGADHO C[C@@H](NCCC[NH3+])c1ccc(SCC(F)(F)F)cc1 ZINC000423180537 372008701 /nfs/dbraw/zinc/00/87/01/372008701.db2.gz FDNYBJYBWSTVMC-SNVBAGLBSA-N 1 3 292.370 3.340 20 0 CGADHO CC1(C)C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423404822 372059465 /nfs/dbraw/zinc/05/94/65/372059465.db2.gz XTWAYADZJYCNJZ-IOASZLSFSA-N 1 3 258.409 3.269 20 0 CGADHO CC(C)Sc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000423186545 372014604 /nfs/dbraw/zinc/01/46/04/372014604.db2.gz KIHBDYDESDULAG-GFCCVEGCSA-N 1 3 252.427 3.187 20 0 CGADHO CC[C@@H](N)C[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423468473 372067310 /nfs/dbraw/zinc/06/73/10/372067310.db2.gz OKFNMXKUUKOZBX-IEBWSBKVSA-N 1 3 298.430 3.306 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000429014054 372303391 /nfs/dbraw/zinc/30/33/91/372303391.db2.gz XVAQNXNHRUVZOS-GOSISDBHSA-N 1 3 272.436 3.139 20 0 CGADHO Cc1cc(C)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000429014054 372303397 /nfs/dbraw/zinc/30/33/97/372303397.db2.gz XVAQNXNHRUVZOS-GOSISDBHSA-N 1 3 272.436 3.139 20 0 CGADHO CC(C)(C)c1ccc(OCCCN2CC[C@H](C[NH3+])C2)cc1 ZINC000430920974 372404823 /nfs/dbraw/zinc/40/48/23/372404823.db2.gz WTRJZPULRQSJEI-OAHLLOKOSA-N 1 3 290.451 3.034 20 0 CGADHO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000164278098 372514049 /nfs/dbraw/zinc/51/40/49/372514049.db2.gz SHGCCWNATADANT-CABCVRRESA-N 1 3 290.451 3.466 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)c1cccc(OC)c1 ZINC000165278527 372547693 /nfs/dbraw/zinc/54/76/93/372547693.db2.gz DEAVBXUYCAIJFC-CRAIPNDOSA-N 1 3 290.451 3.468 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211244 372566535 /nfs/dbraw/zinc/56/65/35/372566535.db2.gz IGIOJJDBFZJUHI-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211244 372566542 /nfs/dbraw/zinc/56/65/42/372566542.db2.gz IGIOJJDBFZJUHI-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccc(C)cc32)C1 ZINC000166211244 372566546 /nfs/dbraw/zinc/56/65/46/372566546.db2.gz IGIOJJDBFZJUHI-CRAIPNDOSA-N 1 3 272.436 3.304 20 0 CGADHO CC[C@H](C[N@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000435446034 372765186 /nfs/dbraw/zinc/76/51/86/372765186.db2.gz IWKMYUDYMKLYBO-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@H](C[N@@H+](C)[C@@H]1CCCNCC1)c1ccccc1 ZINC000435446034 372765191 /nfs/dbraw/zinc/76/51/91/372765191.db2.gz IWKMYUDYMKLYBO-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO CC[C@H](CN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435446034 372765196 /nfs/dbraw/zinc/76/51/96/372765196.db2.gz IWKMYUDYMKLYBO-NVXWUHKLSA-N 1 3 260.425 3.254 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2)o1 ZINC000435374882 372754095 /nfs/dbraw/zinc/75/40/95/372754095.db2.gz RXCDNXUHHJGGOP-ZIAGYGMSSA-N 1 3 270.376 3.116 20 0 CGADHO CCN(Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435381306 372756845 /nfs/dbraw/zinc/75/68/45/372756845.db2.gz SOIIVTQSRNNAGZ-AWEZNQCLSA-N 1 3 298.377 3.252 20 0 CGADHO CCN(CCSc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626385 372787623 /nfs/dbraw/zinc/78/76/23/372787623.db2.gz OGARCHMSBMRVCH-HNNXBMFYSA-N 1 3 278.465 3.243 20 0 CGADHO CCN(CCO[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435618022 372785053 /nfs/dbraw/zinc/78/50/53/372785053.db2.gz PCKXWFMUYRPXTD-GVDBMIGSSA-N 1 3 282.472 3.046 20 0 CGADHO CCCN1CC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000438214747 372914316 /nfs/dbraw/zinc/91/43/16/372914316.db2.gz KRWDNXKYWLVPJV-QGZVFWFLSA-N 1 3 290.451 3.167 20 0 CGADHO Cc1ccc(-c2cnc(CN3CCC[C@H](CC[NH3+])C3)o2)cc1 ZINC000443060379 373145747 /nfs/dbraw/zinc/14/57/47/373145747.db2.gz OYYXVZXRBSFBLS-OAHLLOKOSA-N 1 3 299.418 3.211 20 0 CGADHO FC1(F)CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298034499 373289724 /nfs/dbraw/zinc/28/97/24/373289724.db2.gz GKISJZIRBCGSMZ-ZDUSSCGKSA-N 1 3 295.377 3.075 20 0 CGADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCOCCN(C)C ZINC000447593808 373462122 /nfs/dbraw/zinc/46/21/22/373462122.db2.gz VANOZWFRYIVSAH-SFHVURJKSA-N 1 3 292.467 3.250 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732769 373704821 /nfs/dbraw/zinc/70/48/21/373704821.db2.gz UAKWVYMINKGFBZ-SUMWQHHRSA-N 1 3 276.399 3.087 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000177732769 373704825 /nfs/dbraw/zinc/70/48/25/373704825.db2.gz UAKWVYMINKGFBZ-SUMWQHHRSA-N 1 3 276.399 3.087 20 0 CGADHO Cc1nn(C)cc1[C@H](C)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000178097425 373743691 /nfs/dbraw/zinc/74/36/91/373743691.db2.gz JXUFPWPCDYNUOD-GJZGRUSLSA-N 1 3 292.471 3.034 20 0 CGADHO Cc1nn(C)cc1[C@H](C)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000178097425 373743699 /nfs/dbraw/zinc/74/36/99/373743699.db2.gz JXUFPWPCDYNUOD-GJZGRUSLSA-N 1 3 292.471 3.034 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2csc(C(C)(C)C)n2)CC[N@@H+]1C ZINC000179536055 373884240 /nfs/dbraw/zinc/88/42/40/373884240.db2.gz KRIMKEXKXKGOEZ-OLZOCXBDSA-N 1 3 295.496 3.055 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2csc(C(C)(C)C)n2)CC[N@H+]1C ZINC000179536055 373884246 /nfs/dbraw/zinc/88/42/46/373884246.db2.gz KRIMKEXKXKGOEZ-OLZOCXBDSA-N 1 3 295.496 3.055 20 0 CGADHO C[C@@H]1C[C@H](NCCc2cc3ccccc3o2)CC[N@@H+]1C ZINC000181089109 374079199 /nfs/dbraw/zinc/07/91/99/374079199.db2.gz RSKVMLMAVMNSOB-UKRRQHHQSA-N 1 3 272.392 3.048 20 0 CGADHO C[C@@H]1C[C@H](NCCc2cc3ccccc3o2)CC[N@H+]1C ZINC000181089109 374079205 /nfs/dbraw/zinc/07/92/05/374079205.db2.gz RSKVMLMAVMNSOB-UKRRQHHQSA-N 1 3 272.392 3.048 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000309737233 374194112 /nfs/dbraw/zinc/19/41/12/374194112.db2.gz UTKQIRJHWSHZIR-WQANXHIZSA-N 1 3 284.447 3.285 20 0 CGADHO Cc1ccc(C[N@@H+](C)CCCN(C)C)cc1Br ZINC000313748927 374305721 /nfs/dbraw/zinc/30/57/21/374305721.db2.gz GFQVRPHTWVNDFZ-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO Cc1ccc(C[N@H+](C)CCCN(C)C)cc1Br ZINC000313748927 374305730 /nfs/dbraw/zinc/30/57/30/374305730.db2.gz GFQVRPHTWVNDFZ-UHFFFAOYSA-N 1 3 299.256 3.141 20 0 CGADHO Cc1cc([C@H](C)[NH2+]CC[C@H]2CCCN2C)c(C)s1 ZINC000182741434 374320217 /nfs/dbraw/zinc/32/02/17/374320217.db2.gz QWOUOFCCFWBSMT-GXTWGEPZSA-N 1 3 266.454 3.500 20 0 CGADHO Fc1ccc(CC2(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453345430 374437178 /nfs/dbraw/zinc/43/71/78/374437178.db2.gz JZTBCGZVUBHAQC-DLBZAZTESA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000453345430 374437183 /nfs/dbraw/zinc/43/71/83/374437183.db2.gz JZTBCGZVUBHAQC-DLBZAZTESA-N 1 3 288.410 3.117 20 0 CGADHO Fc1ccc(CC2([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000453345430 374437185 /nfs/dbraw/zinc/43/71/85/374437185.db2.gz JZTBCGZVUBHAQC-DLBZAZTESA-N 1 3 288.410 3.117 20 0 CGADHO C[C@H]([NH2+]CCC1CC1)c1ccc(OCCN(C)C)cc1 ZINC000090118566 541957903 /nfs/dbraw/zinc/95/79/03/541957903.db2.gz AFCPFNGHRWYTNH-AWEZNQCLSA-N 1 3 276.424 3.078 20 0 CGADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N2CCCCC2)CS1 ZINC000488563011 375311589 /nfs/dbraw/zinc/31/15/89/375311589.db2.gz SYJNZMRWKLYTSI-PMPSAXMXSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@H](NCC[C@@H](C)[NH+]2CCCCC2)CS1 ZINC000488563011 375311594 /nfs/dbraw/zinc/31/15/94/375311594.db2.gz SYJNZMRWKLYTSI-PMPSAXMXSA-N 1 3 284.513 3.371 20 0 CGADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1CC(c2ccccc2)C1 ZINC000335561725 375330932 /nfs/dbraw/zinc/33/09/32/375330932.db2.gz QQYWODCKRJBMAO-BACDZXNISA-N 1 3 258.409 3.182 20 0 CGADHO CCOC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(C)C ZINC000189355388 375373606 /nfs/dbraw/zinc/37/36/06/375373606.db2.gz BEOWRYDMCCNSIS-SFHVURJKSA-N 1 3 296.499 3.434 20 0 CGADHO CCOC[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000189355388 375373609 /nfs/dbraw/zinc/37/36/09/375373609.db2.gz BEOWRYDMCCNSIS-SFHVURJKSA-N 1 3 296.499 3.434 20 0 CGADHO CCC(CC)c1cc(CN[C@H](C)C2CC[NH+](C)CC2)on1 ZINC000121242865 542016933 /nfs/dbraw/zinc/01/69/33/542016933.db2.gz VHYLBDGQEMMVOX-CYBMUJFWSA-N 1 3 293.455 3.398 20 0 CGADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CC=CC3)CC2)C1 ZINC000122050242 542023110 /nfs/dbraw/zinc/02/31/10/542023110.db2.gz SVEFOKAIAAFDRD-RHSMWYFYSA-N 1 3 262.441 3.338 20 0 CGADHO Cc1ccc(SCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192616625 375771325 /nfs/dbraw/zinc/77/13/25/375771325.db2.gz LMQJKZSLEMFVEA-MQVJKMGUSA-N 1 3 290.476 3.302 20 0 CGADHO Cc1ccc(SCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192616625 375771330 /nfs/dbraw/zinc/77/13/30/375771330.db2.gz LMQJKZSLEMFVEA-MQVJKMGUSA-N 1 3 290.476 3.302 20 0 CGADHO Cc1ccc(SCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192616625 375771337 /nfs/dbraw/zinc/77/13/37/375771337.db2.gz LMQJKZSLEMFVEA-MQVJKMGUSA-N 1 3 290.476 3.302 20 0 CGADHO Cc1ncccc1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192921780 375803273 /nfs/dbraw/zinc/80/32/73/375803273.db2.gz WIFPLVNNZLTTCX-SFHVURJKSA-N 1 3 295.430 3.002 20 0 CGADHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Cl ZINC000193025933 375817034 /nfs/dbraw/zinc/81/70/34/375817034.db2.gz UUSWFBAPFUCHNI-AGUYFDCRSA-N 1 3 294.826 3.063 20 0 CGADHO CC1(C)CC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC(C)(C)N1 ZINC000510737641 375787600 /nfs/dbraw/zinc/78/76/00/375787600.db2.gz SLLVLIMRNDZHQE-HUUCEWRRSA-N 1 3 264.457 3.464 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1coc2ccccc12 ZINC000336396701 375788603 /nfs/dbraw/zinc/78/86/03/375788603.db2.gz USWLPVOAZSMZCV-CJNGLKHVSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1coc2ccccc12 ZINC000336396701 375788606 /nfs/dbraw/zinc/78/86/06/375788606.db2.gz USWLPVOAZSMZCV-CJNGLKHVSA-N 1 3 272.392 3.205 20 0 CGADHO CCCN1CCC([NH2+]C[C@@H](OCC)c2ccccc2)CC1 ZINC000193431236 375877091 /nfs/dbraw/zinc/87/70/91/375877091.db2.gz FEGZNQFMAITSFI-GOSISDBHSA-N 1 3 290.451 3.228 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1sccc1Br ZINC000336691630 375905170 /nfs/dbraw/zinc/90/51/70/375905170.db2.gz MTSBHRIXCFNEGC-VIFPVBQESA-N 1 3 291.258 3.118 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000193361246 375867639 /nfs/dbraw/zinc/86/76/39/375867639.db2.gz CRWFDDSMMCVEMS-MAUKXSAKSA-N 1 3 289.467 3.328 20 0 CGADHO CCCNc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000193361246 375867645 /nfs/dbraw/zinc/86/76/45/375867645.db2.gz CRWFDDSMMCVEMS-MAUKXSAKSA-N 1 3 289.467 3.328 20 0 CGADHO CCc1ccc([C@@H](CC)[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000336812610 375964812 /nfs/dbraw/zinc/96/48/12/375964812.db2.gz AQNREYIQIVJGBM-WMLDXEAASA-N 1 3 262.441 3.487 20 0 CGADHO CCc1ccc([C@@H](CC)NC[C@H](C)C[NH+](C)C)cc1 ZINC000336812610 375964817 /nfs/dbraw/zinc/96/48/17/375964817.db2.gz AQNREYIQIVJGBM-WMLDXEAASA-N 1 3 262.441 3.487 20 0 CGADHO CN(CCCC[N@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000534274663 375966553 /nfs/dbraw/zinc/96/65/53/375966553.db2.gz QHDXJJINUYGWGY-UHFFFAOYSA-N 1 3 276.380 3.217 20 0 CGADHO CN(CCCC[N@@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000534274663 375966561 /nfs/dbraw/zinc/96/65/61/375966561.db2.gz QHDXJJINUYGWGY-UHFFFAOYSA-N 1 3 276.380 3.217 20 0 CGADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(Cl)c1 ZINC000336732731 375925702 /nfs/dbraw/zinc/92/57/02/375925702.db2.gz ZTVWKEXNPQLZCE-NWDGAFQWSA-N 1 3 254.805 3.188 20 0 CGADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051054 376016183 /nfs/dbraw/zinc/01/61/83/376016183.db2.gz UDQWKFUUKFCVII-FUHWJXTLSA-N 1 3 272.436 3.480 20 0 CGADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCc2ccccc21 ZINC000535051054 376016187 /nfs/dbraw/zinc/01/61/87/376016187.db2.gz UDQWKFUUKFCVII-FUHWJXTLSA-N 1 3 272.436 3.480 20 0 CGADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(O)c1 ZINC000194840495 376047040 /nfs/dbraw/zinc/04/70/40/376047040.db2.gz PWTKPGVVUCPVNM-AWEZNQCLSA-N 1 3 284.403 3.305 20 0 CGADHO COc1ccc2ccccc2c1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000215971431 376155404 /nfs/dbraw/zinc/15/54/04/376155404.db2.gz YJPLPKFIIHOMHZ-ZIAGYGMSSA-N 1 3 284.403 3.018 20 0 CGADHO Cc1cccc([C@H](C)[N@H+](C)CCCN2CCCC2)c1 ZINC000337271619 376182968 /nfs/dbraw/zinc/18/29/68/376182968.db2.gz NVWIQRURVYGXKM-INIZCTEOSA-N 1 3 260.425 3.474 20 0 CGADHO Cc1cccc([C@H](C)[N@@H+](C)CCCN2CCCC2)c1 ZINC000337271619 376182972 /nfs/dbraw/zinc/18/29/72/376182972.db2.gz NVWIQRURVYGXKM-INIZCTEOSA-N 1 3 260.425 3.474 20 0 CGADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C[C@H](C)O1 ZINC000537969182 376213520 /nfs/dbraw/zinc/21/35/20/376213520.db2.gz OGHOKWGBBNEYJB-MEWRGDBZSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)[N@H+](C)CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000221922662 376223679 /nfs/dbraw/zinc/22/36/79/376223679.db2.gz LGUMVHMUDRUBFB-MRXNPFEDSA-N 1 3 280.843 3.127 20 0 CGADHO CC(C)[N@@H+](C)CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000221922662 376223684 /nfs/dbraw/zinc/22/36/84/376223684.db2.gz LGUMVHMUDRUBFB-MRXNPFEDSA-N 1 3 280.843 3.127 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000221922662 376223687 /nfs/dbraw/zinc/22/36/87/376223687.db2.gz LGUMVHMUDRUBFB-MRXNPFEDSA-N 1 3 280.843 3.127 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000222955255 376244727 /nfs/dbraw/zinc/24/47/27/376244727.db2.gz JYCJOEBLVCHEFM-UHTWSYAYSA-N 1 3 252.427 3.285 20 0 CGADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000224972978 376290257 /nfs/dbraw/zinc/29/02/57/376290257.db2.gz PTRUBLHTLWHOOD-IXDOHACOSA-N 1 3 282.472 3.092 20 0 CGADHO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000227678076 376405893 /nfs/dbraw/zinc/40/58/93/376405893.db2.gz HFZMILUYKYWITK-KGLIPLIRSA-N 1 3 269.392 3.473 20 0 CGADHO C[C@@H](NCc1nc(C(C)(C)C)cs1)C1CC[NH+](C)CC1 ZINC000133602852 542079563 /nfs/dbraw/zinc/07/95/63/542079563.db2.gz VXQPATNJEUBHPK-GFCCVEGCSA-N 1 3 295.496 3.261 20 0 CGADHO CN(CCCOc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436853 376360685 /nfs/dbraw/zinc/36/06/85/376360685.db2.gz YCMOKQKUDOGUOC-CQSZACIVSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC000226436853 376360691 /nfs/dbraw/zinc/36/06/91/376360691.db2.gz YCMOKQKUDOGUOC-CQSZACIVSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCCNC1 ZINC000226436853 376360697 /nfs/dbraw/zinc/36/06/97/376360697.db2.gz YCMOKQKUDOGUOC-CQSZACIVSA-N 1 3 296.842 3.040 20 0 CGADHO C[N@H+](CCCN1CCCC1)CCc1ccc(Cl)cc1 ZINC000541844896 376485131 /nfs/dbraw/zinc/48/51/31/376485131.db2.gz CIQGJRLMTGNJAV-UHFFFAOYSA-N 1 3 280.843 3.300 20 0 CGADHO C[N@@H+](CCCN1CCCC1)CCc1ccc(Cl)cc1 ZINC000541844896 376485141 /nfs/dbraw/zinc/48/51/41/376485141.db2.gz CIQGJRLMTGNJAV-UHFFFAOYSA-N 1 3 280.843 3.300 20 0 CGADHO CN(Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000231460540 376560481 /nfs/dbraw/zinc/56/04/81/376560481.db2.gz JZJXZEOVZGBFGM-SFHVURJKSA-N 1 3 268.404 3.414 20 0 CGADHO CCCN1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000233017023 376594990 /nfs/dbraw/zinc/59/49/90/376594990.db2.gz BZKANMBVJABISY-SFHVURJKSA-N 1 3 288.435 3.234 20 0 CGADHO CCOc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000233790254 376601015 /nfs/dbraw/zinc/60/10/15/376601015.db2.gz ZUQMGGDFWUZSLA-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO CCOc1ccc(C[N@H+](C[C@@H]2CCCNC2)C(C)C)cc1 ZINC000233790254 376601022 /nfs/dbraw/zinc/60/10/22/376601022.db2.gz ZUQMGGDFWUZSLA-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO CCOc1ccc(C[N@@H+](C[C@@H]2CCCNC2)C(C)C)cc1 ZINC000233790254 376601027 /nfs/dbraw/zinc/60/10/27/376601027.db2.gz ZUQMGGDFWUZSLA-QGZVFWFLSA-N 1 3 290.451 3.295 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915265 376590053 /nfs/dbraw/zinc/59/00/53/376590053.db2.gz XNSCHELTRCKVSR-AHRSYUTCSA-N 1 3 298.474 3.208 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000542915265 376590061 /nfs/dbraw/zinc/59/00/61/376590061.db2.gz XNSCHELTRCKVSR-AHRSYUTCSA-N 1 3 298.474 3.208 20 0 CGADHO Cc1cccc([C@@H]2CCN(CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000543254345 376626952 /nfs/dbraw/zinc/62/69/52/376626952.db2.gz YBXASOYAEMFKAR-MSOLQXFVSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1cccc([C@@H]2CCN(CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000543254345 376626963 /nfs/dbraw/zinc/62/69/63/376626963.db2.gz YBXASOYAEMFKAR-MSOLQXFVSA-N 1 3 272.436 3.269 20 0 CGADHO Cc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000235173872 376634903 /nfs/dbraw/zinc/63/49/03/376634903.db2.gz NGNONENSVOATNG-GFCCVEGCSA-N 1 3 266.816 3.208 20 0 CGADHO C[C@@]1(CN)CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000235415789 376639853 /nfs/dbraw/zinc/63/98/53/376639853.db2.gz OUQJTGJHFREJON-KRWDZBQOSA-N 1 3 254.377 3.011 20 0 CGADHO C[C@@]1(CN)CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000235415789 376639862 /nfs/dbraw/zinc/63/98/62/376639862.db2.gz OUQJTGJHFREJON-KRWDZBQOSA-N 1 3 254.377 3.011 20 0 CGADHO Clc1ccc(CCNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000151475133 542102103 /nfs/dbraw/zinc/10/21/03/542102103.db2.gz ODKLBAOEXCVZGX-UHFFFAOYSA-N 1 3 292.854 3.347 20 0 CGADHO CC[N@@H+]1CC[C@H](N(C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690972 376882196 /nfs/dbraw/zinc/88/21/96/376882196.db2.gz BLKLOVAGGATWFR-KBPBESRZSA-N 1 3 266.454 3.219 20 0 CGADHO CC[N@H+]1CC[C@H](N(C)Cc2sccc2C)[C@@H](C)C1 ZINC000245690972 376882198 /nfs/dbraw/zinc/88/21/98/376882198.db2.gz BLKLOVAGGATWFR-KBPBESRZSA-N 1 3 266.454 3.219 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000246024744 376954527 /nfs/dbraw/zinc/95/45/27/376954527.db2.gz WOWUGHGCRGNACZ-QXSJWSMHSA-N 1 3 250.430 3.172 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCCN(C2CCC2)C1 ZINC000558695652 377033761 /nfs/dbraw/zinc/03/37/61/377033761.db2.gz MULQKCVOURPMFD-KCEFYPGHSA-N 1 3 276.468 3.418 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246254194 376997829 /nfs/dbraw/zinc/99/78/29/376997829.db2.gz WTAYKEAVRQEPTA-HKUYNNGSSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H](CCc1ccccc1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246254194 376997837 /nfs/dbraw/zinc/99/78/37/376997837.db2.gz WTAYKEAVRQEPTA-HKUYNNGSSA-N 1 3 286.463 3.425 20 0 CGADHO C[C@@H](CCc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254194 376997846 /nfs/dbraw/zinc/99/78/46/376997846.db2.gz WTAYKEAVRQEPTA-HKUYNNGSSA-N 1 3 286.463 3.425 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246928317 377121920 /nfs/dbraw/zinc/12/19/20/377121920.db2.gz GKOULCFFAWKDSW-GUDVDZBRSA-N 1 3 286.463 3.470 20 0 CGADHO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000340457397 377069697 /nfs/dbraw/zinc/06/96/97/377069697.db2.gz DQTXUCCXEZTNJS-ZIAGYGMSSA-N 1 3 282.403 3.026 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000340464678 377074623 /nfs/dbraw/zinc/07/46/23/377074623.db2.gz RXHZSLPYHWYTEJ-KGLIPLIRSA-N 1 3 281.419 3.382 20 0 CGADHO C[N@@H+]1CC[C@H](NCCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804418 377101185 /nfs/dbraw/zinc/10/11/85/377101185.db2.gz MMWGZYXSPCWOIW-IRXDYDNUSA-N 1 3 290.451 3.227 20 0 CGADHO C[N@H+]1CC[C@H](NCCOC(C)(C)C)C[C@H]1c1ccccc1 ZINC000559804418 377101188 /nfs/dbraw/zinc/10/11/88/377101188.db2.gz MMWGZYXSPCWOIW-IRXDYDNUSA-N 1 3 290.451 3.227 20 0 CGADHO C[N@@H+]1CC[C@@H](NCCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804415 377101321 /nfs/dbraw/zinc/10/13/21/377101321.db2.gz MMWGZYXSPCWOIW-IAGOWNOFSA-N 1 3 290.451 3.227 20 0 CGADHO C[N@H+]1CC[C@@H](NCCOC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000559804415 377101327 /nfs/dbraw/zinc/10/13/27/377101327.db2.gz MMWGZYXSPCWOIW-IAGOWNOFSA-N 1 3 290.451 3.227 20 0 CGADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000246985266 377131165 /nfs/dbraw/zinc/13/11/65/377131165.db2.gz JYYPVGHCVZSCFT-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000246985266 377131172 /nfs/dbraw/zinc/13/11/72/377131172.db2.gz JYYPVGHCVZSCFT-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000246985266 377131181 /nfs/dbraw/zinc/13/11/81/377131181.db2.gz JYYPVGHCVZSCFT-YJBOKZPZSA-N 1 3 272.436 3.386 20 0 CGADHO C[C@H](CC[NH+](C)C)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000560243211 377133430 /nfs/dbraw/zinc/13/34/30/377133430.db2.gz BRXJASDZHXXPIT-HYVNUMGLSA-N 1 3 290.451 3.162 20 0 CGADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000247141049 377167303 /nfs/dbraw/zinc/16/73/03/377167303.db2.gz QXLNAJPHKDMFMR-APHBMKBZSA-N 1 3 264.388 3.349 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000561975368 377259503 /nfs/dbraw/zinc/25/95/03/377259503.db2.gz KDNOSOUVKJZLKM-AQNXPRMDSA-N 1 3 298.474 3.454 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000561975368 377259507 /nfs/dbraw/zinc/25/95/07/377259507.db2.gz KDNOSOUVKJZLKM-AQNXPRMDSA-N 1 3 298.474 3.454 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)CC1 ZINC000562206028 377284220 /nfs/dbraw/zinc/28/42/20/377284220.db2.gz VBQPKMGITJMQCD-HXUWFJFHSA-N 1 3 298.474 3.065 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)CC1 ZINC000562206028 377284229 /nfs/dbraw/zinc/28/42/29/377284229.db2.gz VBQPKMGITJMQCD-HXUWFJFHSA-N 1 3 298.474 3.065 20 0 CGADHO CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248390142 377304590 /nfs/dbraw/zinc/30/45/90/377304590.db2.gz BGLAKMKTKNXVLR-KKUMJFAQSA-N 1 3 252.446 3.418 20 0 CGADHO CCN(CC[C@@H]1CCC[N@@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595150 377517310 /nfs/dbraw/zinc/51/73/10/377517310.db2.gz WQGKOJWUXWAGPR-ZBFHGGJFSA-N 1 3 280.481 3.485 20 0 CGADHO CCN(CC[C@@H]1CCC[N@H+]1C)[C@H](C)Cc1ccsc1 ZINC000249595150 377517319 /nfs/dbraw/zinc/51/73/19/377517319.db2.gz WQGKOJWUXWAGPR-ZBFHGGJFSA-N 1 3 280.481 3.485 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250076358 377548209 /nfs/dbraw/zinc/54/82/09/377548209.db2.gz OQFDEPQEOYNRNF-HUUCEWRRSA-N 1 3 284.513 3.228 20 0 CGADHO c1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469879254 249161903 /nfs/dbraw/zinc/16/19/03/249161903.db2.gz FJTCCUGLRXMZLR-MOPGFXCFSA-N 1 3 286.463 3.473 20 0 CGADHO c1ccc(CC[C@@H]2CCCC[N@H+]2C[C@@H]2CCCNC2)cc1 ZINC000469879254 249161906 /nfs/dbraw/zinc/16/19/06/249161906.db2.gz FJTCCUGLRXMZLR-MOPGFXCFSA-N 1 3 286.463 3.473 20 0 CGADHO C(CC1CCCC1)[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000251419438 377582036 /nfs/dbraw/zinc/58/20/36/377582036.db2.gz SBAKFFGPGBZUEX-ZACQAIPSSA-N 1 3 264.457 3.467 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000518514624 249282120 /nfs/dbraw/zinc/28/21/20/249282120.db2.gz BOIXXDZHCWPSCR-SCRDCRAPSA-N 1 3 250.386 3.010 20 0 CGADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000251518493 377587123 /nfs/dbraw/zinc/58/71/23/377587123.db2.gz KHYOFTBBNFVQOG-WHOFXGATSA-N 1 3 298.377 3.456 20 0 CGADHO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574002513 377605891 /nfs/dbraw/zinc/60/58/91/377605891.db2.gz IARINWSRPMJFSE-PBHICJAKSA-N 1 3 292.492 3.343 20 0 CGADHO C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000574002513 377605898 /nfs/dbraw/zinc/60/58/98/377605898.db2.gz IARINWSRPMJFSE-PBHICJAKSA-N 1 3 292.492 3.343 20 0 CGADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252133519 377616179 /nfs/dbraw/zinc/61/61/79/377616179.db2.gz MHEZRUHVIUQLMS-QXSJWSMHSA-N 1 3 264.457 3.418 20 0 CGADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252119611 377616527 /nfs/dbraw/zinc/61/65/27/377616527.db2.gz JDBUIVCPKFNFLJ-XFIYOXNOSA-N 1 3 250.430 3.028 20 0 CGADHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000180751110 542214803 /nfs/dbraw/zinc/21/48/03/542214803.db2.gz DXBYOSXHOGQKEH-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000180751110 542214807 /nfs/dbraw/zinc/21/48/07/542214807.db2.gz DXBYOSXHOGQKEH-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@@H+]1CCC[C@@H]2CN(CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000180751110 542214810 /nfs/dbraw/zinc/21/48/10/542214810.db2.gz DXBYOSXHOGQKEH-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO C[N@H+]1CCC[C@@H]2CN(CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000180751110 542214815 /nfs/dbraw/zinc/21/48/15/542214815.db2.gz DXBYOSXHOGQKEH-AEFFLSMTSA-N 1 3 286.463 3.380 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)[C@H]1CCCNC1 ZINC000574747793 377704047 /nfs/dbraw/zinc/70/40/47/377704047.db2.gz HUDFWANEXHLTAE-XIRDDKMYSA-N 1 3 272.436 3.084 20 0 CGADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000258996918 377802960 /nfs/dbraw/zinc/80/29/60/377802960.db2.gz MVZDNJSCAPWNTH-KGLIPLIRSA-N 1 3 266.816 3.087 20 0 CGADHO CC(C)SCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261591778 377823863 /nfs/dbraw/zinc/82/38/63/377823863.db2.gz XZJJZYMYJPPCPC-SOUVJXGZSA-N 1 3 270.486 3.028 20 0 CGADHO COc1ccc2ccccc2c1CN1CC[C@](C)(C[NH3+])C1 ZINC000261615012 377829084 /nfs/dbraw/zinc/82/90/84/377829084.db2.gz FNDHTALWBMYKOS-GOSISDBHSA-N 1 3 284.403 3.019 20 0 CGADHO C[C@H](CN(C)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000261924032 377869542 /nfs/dbraw/zinc/86/95/42/377869542.db2.gz KTZZAXFWYWUKHX-CJNGLKHVSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@H](C[N@H+](C)[C@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924032 377869545 /nfs/dbraw/zinc/86/95/45/377869545.db2.gz KTZZAXFWYWUKHX-CJNGLKHVSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@H](C[N@@H+](C)[C@H]1CCCNCC1)c1ccc(F)cc1 ZINC000261924032 377869549 /nfs/dbraw/zinc/86/95/49/377869549.db2.gz KTZZAXFWYWUKHX-CJNGLKHVSA-N 1 3 264.388 3.003 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000262011025 377878301 /nfs/dbraw/zinc/87/83/01/377878301.db2.gz VCBFQXCENNEPAU-OALUTQOASA-N 1 3 286.463 3.331 20 0 CGADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000262011025 377878307 /nfs/dbraw/zinc/87/83/07/377878307.db2.gz VCBFQXCENNEPAU-OALUTQOASA-N 1 3 286.463 3.331 20 0 CGADHO c1cnc2c(c1)cccc2CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261817924 377857597 /nfs/dbraw/zinc/85/75/97/377857597.db2.gz AMSRDGYLARYVAL-OKZBNKHCSA-N 1 3 295.430 3.245 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)CC2CCCC2)CC1 ZINC000343515825 378003539 /nfs/dbraw/zinc/00/35/39/378003539.db2.gz BBCLXDWXDJUWGP-MRXNPFEDSA-N 1 3 296.499 3.028 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)CC2CCCC2)CC1 ZINC000343515825 378003543 /nfs/dbraw/zinc/00/35/43/378003543.db2.gz BBCLXDWXDJUWGP-MRXNPFEDSA-N 1 3 296.499 3.028 20 0 CGADHO CCN(CCOc1cc(C)ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345176419 378214843 /nfs/dbraw/zinc/21/48/43/378214843.db2.gz CIZADJRKEDDKES-QGZVFWFLSA-N 1 3 290.451 3.146 20 0 CGADHO NC[C@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000583500627 378326623 /nfs/dbraw/zinc/32/66/23/378326623.db2.gz RZFJBDNMSCKFSX-UXLLHSPISA-N 1 3 276.399 3.133 20 0 CGADHO NC[C@H](C[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000583500627 378326629 /nfs/dbraw/zinc/32/66/29/378326629.db2.gz RZFJBDNMSCKFSX-UXLLHSPISA-N 1 3 276.399 3.133 20 0 CGADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccn(C)c2)c1 ZINC000270596653 378372956 /nfs/dbraw/zinc/37/29/56/378372956.db2.gz DTOLWXNTTZIYKZ-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccn(C)c2)c1 ZINC000270596653 378372960 /nfs/dbraw/zinc/37/29/60/378372960.db2.gz DTOLWXNTTZIYKZ-UHFFFAOYSA-N 1 3 285.435 3.155 20 0 CGADHO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc(OCCN(C)C)c1 ZINC000346577664 378631507 /nfs/dbraw/zinc/63/15/07/378631507.db2.gz RBIWUQMXEGRHBI-CJNGLKHVSA-N 1 3 276.424 3.076 20 0 CGADHO CN(Cc1cccc2ncccc12)C[C@@H]1CCC[N@H+](C)C1 ZINC000637928666 378635475 /nfs/dbraw/zinc/63/54/75/378635475.db2.gz CPTYOGDPTXLOAA-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CN(Cc1cccc2ncccc12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637928666 378635480 /nfs/dbraw/zinc/63/54/80/378635480.db2.gz CPTYOGDPTXLOAA-OAHLLOKOSA-N 1 3 283.419 3.008 20 0 CGADHO CCc1oc2ccccc2c1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346652744 378662734 /nfs/dbraw/zinc/66/27/34/378662734.db2.gz HXVHCTLQULUKIY-STQMWFEESA-N 1 3 272.392 3.164 20 0 CGADHO CO[C@@H](CNCc1cccc(C[N@H+](C)C(C)C)c1)C1CC1 ZINC000638435674 378802563 /nfs/dbraw/zinc/80/25/63/378802563.db2.gz VRRITXIYYCTGIT-SFHVURJKSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@@H](CNCc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000638435674 378802569 /nfs/dbraw/zinc/80/25/69/378802569.db2.gz VRRITXIYYCTGIT-SFHVURJKSA-N 1 3 290.451 3.041 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346836836 218031162 /nfs/dbraw/zinc/03/11/62/218031162.db2.gz VRJZBSHRQKDIEE-SZMVWBNQSA-N 1 3 288.435 3.035 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278522566 194025805 /nfs/dbraw/zinc/02/58/05/194025805.db2.gz MYELPIZGKJFIFA-IRXDYDNUSA-N 1 3 290.451 3.147 20 0 CGADHO Cc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278522566 194025807 /nfs/dbraw/zinc/02/58/07/194025807.db2.gz MYELPIZGKJFIFA-IRXDYDNUSA-N 1 3 290.451 3.147 20 0 CGADHO CCCN1CC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000348267071 378874777 /nfs/dbraw/zinc/87/47/77/378874777.db2.gz ZKSWDBKWSGDRRM-NXHRZFHOSA-N 1 3 272.436 3.112 20 0 CGADHO CO[C@@H](CNCc1ccccc1C[N@H+](C)C(C)C)C1CC1 ZINC000638853464 378937600 /nfs/dbraw/zinc/93/76/00/378937600.db2.gz HAZMVMLRXWCUOV-SFHVURJKSA-N 1 3 290.451 3.041 20 0 CGADHO CO[C@@H](CNCc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000638853464 378937606 /nfs/dbraw/zinc/93/76/06/378937606.db2.gz HAZMVMLRXWCUOV-SFHVURJKSA-N 1 3 290.451 3.041 20 0 CGADHO COc1cc(C)c([C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000639081903 379007150 /nfs/dbraw/zinc/00/71/50/379007150.db2.gz WCPCZGKDMPXYAF-JKSUJKDBSA-N 1 3 290.451 3.257 20 0 CGADHO COc1cc(C)c([C@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000639081903 379007157 /nfs/dbraw/zinc/00/71/57/379007157.db2.gz WCPCZGKDMPXYAF-JKSUJKDBSA-N 1 3 290.451 3.257 20 0 CGADHO C[NH+](C)[C@H]1CCCN(CC(C)(C)Oc2ccccc2)CC1 ZINC000639106183 379030460 /nfs/dbraw/zinc/03/04/60/379030460.db2.gz WUTACCZTKBUBJL-INIZCTEOSA-N 1 3 290.451 3.260 20 0 CGADHO CN(C)[C@H]1CCC[N@H+](CC(C)(C)Oc2ccccc2)CC1 ZINC000639106183 379030466 /nfs/dbraw/zinc/03/04/66/379030466.db2.gz WUTACCZTKBUBJL-INIZCTEOSA-N 1 3 290.451 3.260 20 0 CGADHO CN(C)[C@H]1CCC[N@@H+](CC(C)(C)Oc2ccccc2)CC1 ZINC000639106183 379030473 /nfs/dbraw/zinc/03/04/73/379030473.db2.gz WUTACCZTKBUBJL-INIZCTEOSA-N 1 3 290.451 3.260 20 0 CGADHO Cc1ccc2cc(C[N@H+]3CCC[C@@H](N(C)C)CC3)ccc2n1 ZINC000277296778 379122071 /nfs/dbraw/zinc/12/20/71/379122071.db2.gz AVMDWVQJDWZZCP-GOSISDBHSA-N 1 3 297.446 3.459 20 0 CGADHO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](N(C)C)CC3)ccc2n1 ZINC000277296778 379122082 /nfs/dbraw/zinc/12/20/82/379122082.db2.gz AVMDWVQJDWZZCP-GOSISDBHSA-N 1 3 297.446 3.459 20 0 CGADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccccc1Cl ZINC000349661328 379336139 /nfs/dbraw/zinc/33/61/39/379336139.db2.gz FJDOQKJNCGHILM-CQSZACIVSA-N 1 3 298.858 3.349 20 0 CGADHO C1=CO[C@H](CNC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000376258019 379532832 /nfs/dbraw/zinc/53/28/32/379532832.db2.gz MPIYAVOQJDNQDU-SFHVURJKSA-N 1 3 292.467 3.313 20 0 CGADHO C1=CO[C@H](C[NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000376258019 379532840 /nfs/dbraw/zinc/53/28/40/379532840.db2.gz MPIYAVOQJDNQDU-SFHVURJKSA-N 1 3 292.467 3.313 20 0 CGADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccn1C ZINC000267208557 190312006 /nfs/dbraw/zinc/31/20/06/190312006.db2.gz BFUDLRNPCVTBCJ-VQIMIIECSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccn1C ZINC000267208557 190312007 /nfs/dbraw/zinc/31/20/07/190312007.db2.gz BFUDLRNPCVTBCJ-VQIMIIECSA-N 1 3 297.446 3.025 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC000281217981 379824246 /nfs/dbraw/zinc/82/42/46/379824246.db2.gz TXTVBBQPCVDNQM-SRCQZFHVSA-N 1 3 276.399 3.275 20 0 CGADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC000281217981 379824250 /nfs/dbraw/zinc/82/42/50/379824250.db2.gz TXTVBBQPCVDNQM-SRCQZFHVSA-N 1 3 276.399 3.275 20 0 CGADHO CC[C@H](C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC(F)(F)F ZINC000402536642 379968033 /nfs/dbraw/zinc/96/80/33/379968033.db2.gz YHXOSPPTYWPIRC-YNEHKIRRSA-N 1 3 278.362 3.181 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(Cl)c2)C1 ZINC000282652942 379962280 /nfs/dbraw/zinc/96/22/80/379962280.db2.gz MAIAMBANEUQYPP-HIFRSBDPSA-N 1 3 280.843 3.202 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc(F)ccc1OC ZINC000267975737 190366437 /nfs/dbraw/zinc/36/64/37/190366437.db2.gz NNJSTIQVDWAMSU-CQSZACIVSA-N 1 3 296.430 3.434 20 0 CGADHO CN(c1ccccc1C[NH2+]C1CC=CC1)C1CCN(C)CC1 ZINC000643290883 380256629 /nfs/dbraw/zinc/25/66/29/380256629.db2.gz AEPRINJIFGOAEC-UHFFFAOYSA-N 1 3 299.462 3.025 20 0 CGADHO CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000643521687 380337054 /nfs/dbraw/zinc/33/70/54/380337054.db2.gz WLYPGCFXNISEEL-DOTOQJQBSA-N 1 3 276.424 3.268 20 0 CGADHO C[C@@H]1C[C@@H](CN2CC[C@](F)(c3ccccc3F)C2)CC[NH2+]1 ZINC000414768397 380396234 /nfs/dbraw/zinc/39/62/34/380396234.db2.gz UYSWIXODGVYJKI-JKIFEVAISA-N 1 3 294.389 3.084 20 0 CGADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](N)CC(C)C ZINC000414693966 380376156 /nfs/dbraw/zinc/37/61/56/380376156.db2.gz SIQZKZYEEIURPG-SJORKVTESA-N 1 3 290.451 3.076 20 0 CGADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](N)CC(C)C ZINC000414693966 380376159 /nfs/dbraw/zinc/37/61/59/380376159.db2.gz SIQZKZYEEIURPG-SJORKVTESA-N 1 3 290.451 3.076 20 0 CGADHO C[C@@H]1C[C@H](CN2CCSC3(CCCCC3)C2)CC[NH2+]1 ZINC000414699298 380379941 /nfs/dbraw/zinc/37/99/41/380379941.db2.gz FBKRGROYUVMCGS-HUUCEWRRSA-N 1 3 282.497 3.126 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000414748467 380390436 /nfs/dbraw/zinc/39/04/36/380390436.db2.gz IPSFJZJJIILLGO-FUHWJXTLSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@@H](CCc1ccccc1)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000414748467 380390444 /nfs/dbraw/zinc/39/04/44/380390444.db2.gz IPSFJZJJIILLGO-FUHWJXTLSA-N 1 3 274.452 3.329 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414655661 380355256 /nfs/dbraw/zinc/35/52/56/380355256.db2.gz DSXPCNIAPBOIDC-BURFUSLBSA-N 1 3 272.436 3.166 20 0 CGADHO C[C@H](N)[C@@H]1CC[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000414655661 380355263 /nfs/dbraw/zinc/35/52/63/380355263.db2.gz DSXPCNIAPBOIDC-BURFUSLBSA-N 1 3 272.436 3.166 20 0 CGADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546036 380357709 /nfs/dbraw/zinc/35/77/09/380357709.db2.gz HGRQLPPZJSNMHQ-PBHICJAKSA-N 1 3 270.420 3.247 20 0 CGADHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(OC)c1 ZINC000643545829 380358143 /nfs/dbraw/zinc/35/81/43/380358143.db2.gz CVWUNRWPISXVGL-NVXWUHKLSA-N 1 3 288.435 3.411 20 0 CGADHO C1CC2(C1)C[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)CCN2 ZINC000643546464 380359958 /nfs/dbraw/zinc/35/99/58/380359958.db2.gz PFVLKWHUIZXVNU-OBYDGYHJSA-N 1 3 274.452 3.075 20 0 CGADHO CCC([NH3+])(CC)CNC[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000414816104 380428724 /nfs/dbraw/zinc/42/87/24/380428724.db2.gz ZJRLKQDSERRKLV-ZDUSSCGKSA-N 1 3 296.430 3.120 20 0 CGADHO C[C@H](NCc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000414855670 380457067 /nfs/dbraw/zinc/45/70/67/380457067.db2.gz NFTXGSIEVCMJLW-KSSFIOAISA-N 1 3 268.404 3.318 20 0 CGADHO C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000414826558 380435130 /nfs/dbraw/zinc/43/51/30/380435130.db2.gz JCLDMFVOOPWFOX-KTFSGNIMSA-N 1 3 258.409 3.053 20 0 CGADHO CC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCCC1 ZINC000414835395 380443698 /nfs/dbraw/zinc/44/36/98/380443698.db2.gz TXHCRFYYOQKVRK-YIONKMFJSA-N 1 3 250.430 3.220 20 0 CGADHO Fc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1Cl ZINC000414772786 380398645 /nfs/dbraw/zinc/39/86/45/380398645.db2.gz CLCUYRAIVLYIOK-KGLIPLIRSA-N 1 3 296.817 3.301 20 0 CGADHO Cc1cc(C(F)(F)F)ccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000414790556 380406876 /nfs/dbraw/zinc/40/68/76/380406876.db2.gz AHTHUTYSNGFICQ-RISCZKNCSA-N 1 3 286.341 3.231 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cc2ccccc2s1 ZINC000414791291 380407183 /nfs/dbraw/zinc/40/71/83/380407183.db2.gz HNWMVRXZMGZOQK-GXTWGEPZSA-N 1 3 260.406 3.118 20 0 CGADHO NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414791291 380407189 /nfs/dbraw/zinc/40/71/89/380407189.db2.gz HNWMVRXZMGZOQK-GXTWGEPZSA-N 1 3 260.406 3.118 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1coc2ccccc12 ZINC000414794452 380408385 /nfs/dbraw/zinc/40/83/85/380408385.db2.gz FQVUCHKDKFPWEW-IUODEOHRSA-N 1 3 258.365 3.040 20 0 CGADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(F)c1 ZINC000414793150 380408689 /nfs/dbraw/zinc/40/86/89/380408689.db2.gz DHFQRFOUFQVBDC-FZMZJTMJSA-N 1 3 270.779 3.086 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414793583 380408734 /nfs/dbraw/zinc/40/87/34/380408734.db2.gz KTZJVLWHWFYIBO-BRWVUGGUSA-N 1 3 260.425 3.070 20 0 CGADHO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000414794199 380408897 /nfs/dbraw/zinc/40/88/97/380408897.db2.gz FJOZEAPONUDPEK-SZMVWBNQSA-N 1 3 274.452 3.423 20 0 CGADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000414793089 380409435 /nfs/dbraw/zinc/40/94/35/380409435.db2.gz JTRSHTCWWZHRHJ-GWCFXTLKSA-N 1 3 273.207 3.210 20 0 CGADHO C[C@@H]([NH3+])c1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000414805559 380418328 /nfs/dbraw/zinc/41/83/28/380418328.db2.gz GNFDVXRWJROHSV-LLVKDONJSA-N 1 3 276.330 3.274 20 0 CGADHO CN(C)[C@@H]1CCC[N@H+](CCSCc2ccccc2)CC1 ZINC000279122701 194293992 /nfs/dbraw/zinc/29/39/92/194293992.db2.gz UPMDRDFETSLFIX-QGZVFWFLSA-N 1 3 292.492 3.336 20 0 CGADHO CN(C)[C@@H]1CCC[N@@H+](CCSCc2ccccc2)CC1 ZINC000279122701 194293994 /nfs/dbraw/zinc/29/39/94/194293994.db2.gz UPMDRDFETSLFIX-QGZVFWFLSA-N 1 3 292.492 3.336 20 0 CGADHO C[NH2+]CCCNC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414857710 380459829 /nfs/dbraw/zinc/45/98/29/380459829.db2.gz FIXNJCJHZMMYHL-NSHDSACASA-N 1 3 274.330 3.008 20 0 CGADHO CNCCC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414857710 380459835 /nfs/dbraw/zinc/45/98/35/380459835.db2.gz FIXNJCJHZMMYHL-NSHDSACASA-N 1 3 274.330 3.008 20 0 CGADHO CNCCC[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414863018 380463983 /nfs/dbraw/zinc/46/39/83/380463983.db2.gz WPHQFZYYIVCEDW-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO C[NH2+]CCCN[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000414863018 380463989 /nfs/dbraw/zinc/46/39/89/380463989.db2.gz WPHQFZYYIVCEDW-GFCCVEGCSA-N 1 3 288.357 3.226 20 0 CGADHO CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414863793 380464208 /nfs/dbraw/zinc/46/42/08/380464208.db2.gz YFBHTUSNBRCXJC-DZKIICNBSA-N 1 3 292.492 3.317 20 0 CGADHO CSc1ccccc1C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414863793 380464213 /nfs/dbraw/zinc/46/42/13/380464213.db2.gz YFBHTUSNBRCXJC-DZKIICNBSA-N 1 3 292.492 3.317 20 0 CGADHO [NH3+]C1(CN[C@H]2CCC[C@@H]2c2ccccc2Cl)CCC1 ZINC000414876560 380470403 /nfs/dbraw/zinc/47/04/03/380470403.db2.gz LONGPYYMADXOJV-HIFRSBDPSA-N 1 3 278.827 3.447 20 0 CGADHO C[C@@H](C[NH3+])CNCc1ccc(-c2ccc(F)cc2)s1 ZINC000414885326 380474086 /nfs/dbraw/zinc/47/40/86/380474086.db2.gz WSUDGWASEHVMNJ-NSHDSACASA-N 1 3 278.396 3.239 20 0 CGADHO C[C@H](C[NH3+])CNCc1ccc(-c2ccc(F)cc2)s1 ZINC000414885322 380474491 /nfs/dbraw/zinc/47/44/91/380474491.db2.gz WSUDGWASEHVMNJ-LLVKDONJSA-N 1 3 278.396 3.239 20 0 CGADHO C[C@@H](CN)C[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000414882857 380474558 /nfs/dbraw/zinc/47/45/58/380474558.db2.gz USXMOWWGGZKLDU-UQPPLGOBSA-N 1 3 260.425 3.145 20 0 CGADHO COc1ccccc1-c1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414883275 380474728 /nfs/dbraw/zinc/47/47/28/380474728.db2.gz DGDBPGWVXGNQQC-GOSISDBHSA-N 1 3 296.414 3.189 20 0 CGADHO N[C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC000414892358 380475596 /nfs/dbraw/zinc/47/55/96/380475596.db2.gz JATNXBDXWYLMTB-OAHLLOKOSA-N 1 3 290.407 3.381 20 0 CGADHO Fc1ccc([C@@H]2CCC[C@H]2NCC[C@H]2CCC[NH2+]2)cc1 ZINC000414903579 380482838 /nfs/dbraw/zinc/48/28/38/380482838.db2.gz KCUMCGDUOQGIAK-IXDOHACOSA-N 1 3 276.399 3.194 20 0 CGADHO C/C(=C/c1ccccc1)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000644843071 380527561 /nfs/dbraw/zinc/52/75/61/380527561.db2.gz MEYBECYZGOOQHH-XSVZSIDJSA-N 1 3 270.420 3.118 20 0 CGADHO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000644843071 380527565 /nfs/dbraw/zinc/52/75/65/380527565.db2.gz MEYBECYZGOOQHH-XSVZSIDJSA-N 1 3 270.420 3.118 20 0 CGADHO C[C@H]([NH2+]C[C@H]1CC12CC2)c1cccc(OCCN(C)C)c1 ZINC000417371138 380612918 /nfs/dbraw/zinc/61/29/18/380612918.db2.gz VCNXQSBWUFZVJY-GOEBONIOSA-N 1 3 288.435 3.078 20 0 CGADHO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](C)N ZINC000420324442 380848843 /nfs/dbraw/zinc/84/88/43/380848843.db2.gz VIVLDJWMANZMOD-NSHDSACASA-N 1 3 285.229 3.007 20 0 CGADHO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H](C)N ZINC000420324442 380848852 /nfs/dbraw/zinc/84/88/52/380848852.db2.gz VIVLDJWMANZMOD-NSHDSACASA-N 1 3 285.229 3.007 20 0 CGADHO C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)C(F)(F)F ZINC000359969096 381392849 /nfs/dbraw/zinc/39/28/49/381392849.db2.gz FQVHENRVMZMJNE-SNVBAGLBSA-N 1 3 266.351 3.037 20 0 CGADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCSC ZINC000360960452 381635061 /nfs/dbraw/zinc/63/50/61/381635061.db2.gz YMLXYMBZKQZBGQ-CABCVRRESA-N 1 3 272.502 3.230 20 0 CGADHO Cc1ccc(CN2CCC([C@H](C)[NH3+])CC2)c(Cl)c1 ZINC000235474369 542312929 /nfs/dbraw/zinc/31/29/29/542312929.db2.gz SRKMMUKRSDHGII-LBPRGKRZSA-N 1 3 266.816 3.208 20 0 CGADHO CC[C@H]1CN(Cc2ccc(C3CC3)cc2)CC[C@H]1[NH3+] ZINC000251595424 542346897 /nfs/dbraw/zinc/34/68/97/542346897.db2.gz CVTHUKVAXURZNT-WMLDXEAASA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@@H]1CN(CCCOc2ccc(C)c(C)c2)CC[C@H]1[NH3+] ZINC000251890771 542348648 /nfs/dbraw/zinc/34/86/48/542348648.db2.gz VZGGZQGDTDQBRT-SJLPKXTDSA-N 1 3 290.451 3.132 20 0 CGADHO C[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413525 542350119 /nfs/dbraw/zinc/35/01/19/542350119.db2.gz DPILZLPNGPPYMI-DJIMGWMZSA-N 1 3 258.409 3.212 20 0 CGADHO CC[N@H+](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCNCC1 ZINC000261745866 285031879 /nfs/dbraw/zinc/03/18/79/285031879.db2.gz BURGSDLBKAUOIA-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CC[N@@H+](C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCNCC1 ZINC000261745866 285031881 /nfs/dbraw/zinc/03/18/81/285031881.db2.gz BURGSDLBKAUOIA-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO COc1ccc([C@@H](C)N[C@H](C)CCCC[NH3+])c(F)c1 ZINC000423420642 533114287 /nfs/dbraw/zinc/11/42/87/533114287.db2.gz BRHVSAZCKOIOFY-VXGBXAGGSA-N 1 3 268.376 3.002 20 0 CGADHO COCCC1(C[NH2+]CCCN(C)C(C)C)CCCCC1 ZINC000436280145 533206695 /nfs/dbraw/zinc/20/66/95/533206695.db2.gz KFUZQYVFWKFGMU-UHFFFAOYSA-N 1 3 284.488 3.293 20 0 CGADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000281514687 195271465 /nfs/dbraw/zinc/27/14/65/195271465.db2.gz HJNNNGSDVDYCSI-ZWKOTPCHSA-N 1 3 299.462 3.268 20 0 CGADHO COc1ccc2c(c1)[C@H](NCc1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000423292394 533299082 /nfs/dbraw/zinc/29/90/82/533299082.db2.gz MVRZGVUQLPMZJO-ORAYPTAESA-N 1 3 296.414 3.492 20 0 CGADHO COc1ccc2cc([C@@H](C)[NH2+]CC(C)(C)N)ccc2c1 ZINC000423287341 533336190 /nfs/dbraw/zinc/33/61/90/533336190.db2.gz LPVVVZCLGWWBHU-GFCCVEGCSA-N 1 3 272.392 3.236 20 0 CGADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cc2ccccc2s1 ZINC000423321678 533429871 /nfs/dbraw/zinc/42/98/71/533429871.db2.gz NKVGRVBWJFXMLE-MFKMUULPSA-N 1 3 260.406 3.289 20 0 CGADHO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)[C@H](C)N ZINC000423453735 533501994 /nfs/dbraw/zinc/50/19/94/533501994.db2.gz XZGIODRBAOVLTL-MJBXVCDLSA-N 1 3 269.392 3.135 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423394564 533657523 /nfs/dbraw/zinc/65/75/23/533657523.db2.gz ZXWIWQZQJYRYDD-ZOWXZIJZSA-N 1 3 282.378 3.016 20 0 CGADHO C[C@@H](CCc1ccc(F)cc1F)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423394564 533657534 /nfs/dbraw/zinc/65/75/34/533657534.db2.gz ZXWIWQZQJYRYDD-ZOWXZIJZSA-N 1 3 282.378 3.016 20 0 CGADHO CCC[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1ccccc1 ZINC000414930119 542640804 /nfs/dbraw/zinc/64/08/04/542640804.db2.gz SLRYUHQFGJIGDX-IKGGRYGDSA-N 1 3 260.425 3.430 20 0 CGADHO CCCCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414931809 542641220 /nfs/dbraw/zinc/64/12/20/542641220.db2.gz UZCPGXMRDBSJNA-HZPDHXFCSA-N 1 3 276.424 3.225 20 0 CGADHO CN(C)CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037213698 391980451 /nfs/dbraw/zinc/98/04/51/391980451.db2.gz CXPIBABJRQDABB-CYBMUJFWSA-N 1 3 284.856 3.418 20 0 CGADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000423045990 542647106 /nfs/dbraw/zinc/64/71/06/542647106.db2.gz DRMBFKKPWJMSJO-FZMZJTMJSA-N 1 3 268.351 3.102 20 0 CGADHO CCC1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000106868902 392310717 /nfs/dbraw/zinc/31/07/17/392310717.db2.gz OAKPDLWGHCTBLU-QDIHITRGSA-N 1 3 250.430 3.172 20 0 CGADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc3ccccc3o2)C1 ZINC000249376544 131121144 /nfs/dbraw/zinc/12/11/44/131121144.db2.gz KQLUNVXWSMHONR-ZIAGYGMSSA-N 1 3 272.392 3.425 20 0 CGADHO CCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134872133 392468071 /nfs/dbraw/zinc/46/80/71/392468071.db2.gz UXOLYCVQZQQPIM-ZBFHGGJFSA-N 1 3 250.430 3.125 20 0 CGADHO CCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134872133 392468073 /nfs/dbraw/zinc/46/80/73/392468073.db2.gz UXOLYCVQZQQPIM-ZBFHGGJFSA-N 1 3 250.430 3.125 20 0 CGADHO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130254096 392453370 /nfs/dbraw/zinc/45/33/70/392453370.db2.gz SMVZLGNVZAKXRW-ZNMIVQPWSA-N 1 3 250.430 3.172 20 0 CGADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C)nc2)CC1 ZINC000153740962 392528522 /nfs/dbraw/zinc/52/85/22/392528522.db2.gz KEBMCYSBENGPLI-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C)nc2)CC1 ZINC000153740962 392528529 /nfs/dbraw/zinc/52/85/29/392528529.db2.gz KEBMCYSBENGPLI-UHFFFAOYSA-N 1 3 289.467 3.334 20 0 CGADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000369222820 392498125 /nfs/dbraw/zinc/49/81/25/392498125.db2.gz BVYPGKFKZDZPBI-SJORKVTESA-N 1 3 294.483 3.046 20 0 CGADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCN(CC)C1)CCC2 ZINC000163265037 392604148 /nfs/dbraw/zinc/60/41/48/392604148.db2.gz WBWHLHBOHQYVNR-QWHCGFSZSA-N 1 3 293.480 3.014 20 0 CGADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110014 392545304 /nfs/dbraw/zinc/54/53/04/392545304.db2.gz FBKLEVMJVBQPQD-QWQRMKEZSA-N 1 3 272.436 3.309 20 0 CGADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000156110014 392545310 /nfs/dbraw/zinc/54/53/10/392545310.db2.gz FBKLEVMJVBQPQD-QWQRMKEZSA-N 1 3 272.436 3.309 20 0 CGADHO CC[NH2+]CC1CCN(Cc2nccc3ccccc32)CC1 ZINC000647503256 392744484 /nfs/dbraw/zinc/74/44/84/392744484.db2.gz GBCGOWKNNNDNBG-UHFFFAOYSA-N 1 3 283.419 3.056 20 0 CGADHO CC[C@@H]1CN(CCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936894 392837563 /nfs/dbraw/zinc/83/75/63/392837563.db2.gz MXKUIWSIRWNHBH-CZUORRHYSA-N 1 3 296.842 3.168 20 0 CGADHO CCC(CC)c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000647786800 392795829 /nfs/dbraw/zinc/79/58/29/392795829.db2.gz YXTYNSYWQZFWIY-RRFJBIMHSA-N 1 3 291.439 3.056 20 0 CGADHO CCOc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000647804322 392805490 /nfs/dbraw/zinc/80/54/90/392805490.db2.gz PCRNZZDXTBDRIC-CQSZACIVSA-N 1 3 284.403 3.395 20 0 CGADHO c1ccc(CCN(C[C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000647884163 392825020 /nfs/dbraw/zinc/82/50/20/392825020.db2.gz VGRSJQROQGRXHX-KRWDZBQOSA-N 1 3 272.436 3.083 20 0 CGADHO Fc1cccc(CCN(C[C@@H]2CC[NH2+]C2)C2CCCC2)c1 ZINC000647891624 392829456 /nfs/dbraw/zinc/82/94/56/392829456.db2.gz YNVWWKKJYWYZAK-MRXNPFEDSA-N 1 3 290.426 3.222 20 0 CGADHO C[C@H]1COCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000376062573 392859500 /nfs/dbraw/zinc/85/95/00/392859500.db2.gz SZCUFLQENAMWBN-HOTGVXAUSA-N 1 3 294.483 3.046 20 0 CGADHO COc1ccc([C@@H](C[NH3+])CN(C)CCC(C)(C)C)cc1 ZINC000647997449 392860273 /nfs/dbraw/zinc/86/02/73/392860273.db2.gz FPXQZKMEJGFGCM-HNNXBMFYSA-N 1 3 278.440 3.106 20 0 CGADHO CC[C@H]1CCC[C@@H](CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000394571534 392938349 /nfs/dbraw/zinc/93/83/49/392938349.db2.gz PEXWXWJZSBZFJA-HCMIALLCSA-N 1 3 264.457 3.418 20 0 CGADHO CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000514094418 542733705 /nfs/dbraw/zinc/73/37/05/542733705.db2.gz NCBZFHAOTOIRPA-KGLIPLIRSA-N 1 3 252.446 3.320 20 0 CGADHO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000514104462 542734295 /nfs/dbraw/zinc/73/42/95/542734295.db2.gz KAJJYSSXKAZZJQ-QZTJIDSGSA-N 1 3 290.451 3.151 20 0 CGADHO CC[C@H]([NH3+])CNCCCc1c(Cl)cccc1Cl ZINC000414996466 393084278 /nfs/dbraw/zinc/08/42/78/393084278.db2.gz XWQZERPQIBDCFX-JTQLQIEISA-N 1 3 275.223 3.253 20 0 CGADHO C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414993781 393084526 /nfs/dbraw/zinc/08/45/26/393084526.db2.gz CQDGTQBAIMAAFM-OXXUSNJHSA-N 1 3 290.426 3.297 20 0 CGADHO C[C@@H](CCCC[NH3+])NCc1cc(C(F)(F)F)ccc1F ZINC000415013787 393096383 /nfs/dbraw/zinc/09/63/83/393096383.db2.gz KYNVNOYHMISQTL-JTQLQIEISA-N 1 3 292.320 3.452 20 0 CGADHO CCCCCOc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000415014010 393097174 /nfs/dbraw/zinc/09/71/74/393097174.db2.gz WDSMYPGWSQYLJV-UONOGXRCSA-N 1 3 264.413 3.081 20 0 CGADHO C[C@H](CCCC[NH3+])NCc1cc(C(F)(F)F)ccc1F ZINC000415013789 393097186 /nfs/dbraw/zinc/09/71/86/393097186.db2.gz KYNVNOYHMISQTL-SNVBAGLBSA-N 1 3 292.320 3.452 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414952256 393061547 /nfs/dbraw/zinc/06/15/47/393061547.db2.gz INJWWWCLJRTHFH-YPMHNXCESA-N 1 3 266.454 3.133 20 0 CGADHO c1nc(C2CCCC2)sc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414975615 393075215 /nfs/dbraw/zinc/07/52/15/393075215.db2.gz OXSDCGMQROJLRL-AWEZNQCLSA-N 1 3 293.480 3.423 20 0 CGADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000414975145 393075387 /nfs/dbraw/zinc/07/53/87/393075387.db2.gz OMQFZYBUDSOLIN-HNNXBMFYSA-N 1 3 274.433 3.379 20 0 CGADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCNC2CC2)cc1 ZINC000415071172 393128640 /nfs/dbraw/zinc/12/86/40/393128640.db2.gz SIIRPGBMKZFWHB-ZWKOTPCHSA-N 1 3 272.436 3.363 20 0 CGADHO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCCC[NH3+] ZINC000415074981 393131567 /nfs/dbraw/zinc/13/15/67/393131567.db2.gz DIVYRJHDBLXONY-LBPRGKRZSA-N 1 3 289.448 3.426 20 0 CGADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1cccc(Cl)c1 ZINC000415087658 393138985 /nfs/dbraw/zinc/13/89/85/393138985.db2.gz LEUDJCMPXDNQDS-SWLSCSKDSA-N 1 3 266.816 3.003 20 0 CGADHO Cc1ccccc1C1(CN[C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415097693 393145421 /nfs/dbraw/zinc/14/54/21/393145421.db2.gz DCYUJRWVECBZPA-JKSUJKDBSA-N 1 3 272.436 3.147 20 0 CGADHO C[NH2+]CCC1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000469853506 393221414 /nfs/dbraw/zinc/22/14/14/393221414.db2.gz PEAJBPHFDPUFBG-IHWYPQMZSA-N 1 3 276.399 3.160 20 0 CGADHO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000646243312 393245665 /nfs/dbraw/zinc/24/56/65/393245665.db2.gz HYPBYQNFMUEEAX-LJQANCHMSA-N 1 3 284.447 3.482 20 0 CGADHO C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3C3CC3)C2)C1 ZINC000646243312 393245672 /nfs/dbraw/zinc/24/56/72/393245672.db2.gz HYPBYQNFMUEEAX-LJQANCHMSA-N 1 3 284.447 3.482 20 0 CGADHO CC[C@](C)(NCCCC1CC[NH2+]CC1)c1nccs1 ZINC000649414779 393415029 /nfs/dbraw/zinc/41/50/29/393415029.db2.gz XICGEPZGGITTEA-HNNXBMFYSA-N 1 3 281.469 3.138 20 0 CGADHO Cc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)c2ccccc2n1 ZINC000487045679 393448821 /nfs/dbraw/zinc/44/88/21/393448821.db2.gz LVJKOFYSDKJANI-SFHVURJKSA-N 1 3 283.419 3.320 20 0 CGADHO Cc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c2ccccc2n1 ZINC000487045679 393448826 /nfs/dbraw/zinc/44/88/26/393448826.db2.gz LVJKOFYSDKJANI-SFHVURJKSA-N 1 3 283.419 3.320 20 0 CGADHO C[C@@H]([NH3+])C1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000420296721 393454002 /nfs/dbraw/zinc/45/40/02/393454002.db2.gz QSHOSXXVFPDXCS-BZNIZROVSA-N 1 3 278.827 3.387 20 0 CGADHO FCCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321147 393465923 /nfs/dbraw/zinc/46/59/23/393465923.db2.gz ZPUMKLBDIAAJJA-CQSZACIVSA-N 1 3 282.428 3.052 20 0 CGADHO C[N@@H+]1C[C@@H](CNCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000647248675 393411148 /nfs/dbraw/zinc/41/11/48/393411148.db2.gz QVGDXNZCQXMCLL-MOPGFXCFSA-N 1 3 280.415 3.122 20 0 CGADHO C[N@H+]1C[C@@H](CNCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000647248675 393411152 /nfs/dbraw/zinc/41/11/52/393411152.db2.gz QVGDXNZCQXMCLL-MOPGFXCFSA-N 1 3 280.415 3.122 20 0 CGADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N2CCCCC2)CS1 ZINC000488563007 393539179 /nfs/dbraw/zinc/53/91/79/393539179.db2.gz SYJNZMRWKLYTSI-OAGGEKHMSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)[C@@H]1C[C@@H](NCC[C@@H](C)[NH+]2CCCCC2)CS1 ZINC000488563007 393539187 /nfs/dbraw/zinc/53/91/87/393539187.db2.gz SYJNZMRWKLYTSI-OAGGEKHMSA-N 1 3 284.513 3.371 20 0 CGADHO CC(C)(C)OC1CC(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000432424549 393612980 /nfs/dbraw/zinc/61/29/80/393612980.db2.gz JMXUGRVPROCOMY-YZUHTNEWSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000432424549 393612982 /nfs/dbraw/zinc/61/29/82/393612982.db2.gz JMXUGRVPROCOMY-YZUHTNEWSA-N 1 3 294.483 3.187 20 0 CGADHO CC(C)(C)OC1CC(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432424549 393612984 /nfs/dbraw/zinc/61/29/84/393612984.db2.gz JMXUGRVPROCOMY-YZUHTNEWSA-N 1 3 294.483 3.187 20 0 CGADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCCF)CC2)C1 ZINC000360996813 393633552 /nfs/dbraw/zinc/63/35/52/393633552.db2.gz BEKUUDVJDBOQBQ-GOEBONIOSA-N 1 3 270.436 3.369 20 0 CGADHO CC[C@H](NC[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000422849837 393644120 /nfs/dbraw/zinc/64/41/20/393644120.db2.gz MKLDJJKZZZFQRA-XUXIUFHCSA-N 1 3 292.389 3.475 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN1 ZINC000422849837 393644126 /nfs/dbraw/zinc/64/41/26/393644126.db2.gz MKLDJJKZZZFQRA-XUXIUFHCSA-N 1 3 292.389 3.475 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)[C@H]1CCCNC1 ZINC000422985455 393647982 /nfs/dbraw/zinc/64/79/82/393647982.db2.gz DWXCQKSYPUQXTR-XOYOTBSWSA-N 1 3 272.436 3.300 20 0 CGADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CNC1 ZINC000423078967 393650108 /nfs/dbraw/zinc/65/01/08/393650108.db2.gz WYTCCTFBSYUTIX-HZSPNIEDSA-N 1 3 252.446 3.036 20 0 CGADHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423218382 393654874 /nfs/dbraw/zinc/65/48/74/393654874.db2.gz RXJPFBBCBOHCPE-OBJOEFQTSA-N 1 3 278.465 3.276 20 0 CGADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)c1cc2c(s1)CCC2 ZINC000423218382 393654876 /nfs/dbraw/zinc/65/48/76/393654876.db2.gz RXJPFBBCBOHCPE-OBJOEFQTSA-N 1 3 278.465 3.276 20 0 CGADHO CC(C)[C@H]([NH3+])CN[C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423264867 393657273 /nfs/dbraw/zinc/65/72/73/393657273.db2.gz CJGKQCQFQHDXPS-OAGGEKHMSA-N 1 3 260.425 3.142 20 0 CGADHO Fc1cc2c(c(F)c1F)[C@@H](NCC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423274554 393657620 /nfs/dbraw/zinc/65/76/20/393657620.db2.gz MATHDUZQBWEAAC-GWCFXTLKSA-N 1 3 298.352 3.071 20 0 CGADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423278856 393658947 /nfs/dbraw/zinc/65/89/47/393658947.db2.gz REDOMVOLOSBZAB-KGYLQXTDSA-N 1 3 252.427 3.259 20 0 CGADHO Cc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc(C)c1F ZINC000423401424 393665014 /nfs/dbraw/zinc/66/50/14/393665014.db2.gz WCVXIECTEGLSMZ-CFVMTHIKSA-N 1 3 264.388 3.363 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423389795 393665553 /nfs/dbraw/zinc/66/55/53/393665553.db2.gz OKFZNKVWRABQJB-DCGLDWPTSA-N 1 3 288.435 3.277 20 0 CGADHO CCC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CCCCC1 ZINC000423380810 393665689 /nfs/dbraw/zinc/66/56/89/393665689.db2.gz OCKNVRALUQURFC-BPUTZDHNSA-N 1 3 252.446 3.466 20 0 CGADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000445986699 393839743 /nfs/dbraw/zinc/83/97/43/393839743.db2.gz XBYWZHSMHLOIAJ-FGTMMUONSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@@H](C[NH2+]C1CC2(CCC2)C1)CN1CCCCC1 ZINC000448072489 393869041 /nfs/dbraw/zinc/86/90/41/393869041.db2.gz SYQWOKFWHMAIOL-AWEZNQCLSA-N 1 3 250.430 3.031 20 0 CGADHO CCC[NH+](CCC)CCCN[C@@H]1CCOC2(CCC2)C1 ZINC000449057782 393874766 /nfs/dbraw/zinc/87/47/66/393874766.db2.gz DXKFFBZHFHXMIA-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO CCCN(CCC)CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449057782 393874770 /nfs/dbraw/zinc/87/47/70/393874770.db2.gz DXKFFBZHFHXMIA-MRXNPFEDSA-N 1 3 282.472 3.190 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000501471436 393854308 /nfs/dbraw/zinc/85/43/08/393854308.db2.gz ZFWXBDXOGGVPJI-IRXDYDNUSA-N 1 3 290.451 3.220 20 0 CGADHO c1ccc(OCCCC[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666993913 542832795 /nfs/dbraw/zinc/83/27/95/542832795.db2.gz SOKDRJVAWTXJMB-INIZCTEOSA-N 1 3 288.435 3.110 20 0 CGADHO CCC[C@H]([NH2+]C[C@H]1CCN(CCC)C1)C1CCC1 ZINC000453102889 394171447 /nfs/dbraw/zinc/17/14/47/394171447.db2.gz VXKQERQOPQGNNM-ZBFHGGJFSA-N 1 3 252.446 3.277 20 0 CGADHO C[NH+](C)CC1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667502080 542880799 /nfs/dbraw/zinc/88/07/99/542880799.db2.gz SROLWERIFHXYMO-UHFFFAOYSA-N 1 3 289.448 3.070 20 0 CGADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667912174 542944432 /nfs/dbraw/zinc/94/44/32/542944432.db2.gz ACEZGDDTHNRLMI-VVLHAWIVSA-N 1 3 264.457 3.133 20 0 CGADHO C[C@@H](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N1CCCCC1 ZINC000667974629 542952991 /nfs/dbraw/zinc/95/29/91/542952991.db2.gz YUHXSMQJVHBUFZ-XUWVNRHRSA-N 1 3 250.430 3.029 20 0 CGADHO COC(C)(C)CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336845178 292054935 /nfs/dbraw/zinc/05/49/35/292054935.db2.gz VOULHKSTSXTOLP-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO COC(C)(C)CC[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000336845178 292054936 /nfs/dbraw/zinc/05/49/36/292054936.db2.gz VOULHKSTSXTOLP-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO COC(C)(C)CC[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000336845178 292054937 /nfs/dbraw/zinc/05/49/37/292054937.db2.gz VOULHKSTSXTOLP-QGZVFWFLSA-N 1 3 296.499 3.245 20 0 CGADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000670153792 543142194 /nfs/dbraw/zinc/14/21/94/543142194.db2.gz NAWFAFSBTXZPBM-NJAFHUGGSA-N 1 3 274.452 3.499 20 0 CGADHO C[C@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264876 543147285 /nfs/dbraw/zinc/14/72/85/543147285.db2.gz MDYHRUCAAFJJRN-HUUCEWRRSA-N 1 3 252.446 3.086 20 0 CGADHO C[C@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)C(C)(C)C ZINC000670264876 543147287 /nfs/dbraw/zinc/14/72/87/543147287.db2.gz MDYHRUCAAFJJRN-HUUCEWRRSA-N 1 3 252.446 3.086 20 0 CGADHO CC1CCC([NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000020143103 397604916 /nfs/dbraw/zinc/60/49/16/397604916.db2.gz VEWBHYDUBIYJJF-UHFFFAOYSA-N 1 3 252.446 3.464 20 0 CGADHO Cc1ccc([C@H]([NH2+]C[C@@H](C)CN(C)C)C2CC2)cc1 ZINC000388908515 397690899 /nfs/dbraw/zinc/69/08/99/397690899.db2.gz MRGVAKAYNAKOMC-PBHICJAKSA-N 1 3 260.425 3.233 20 0 CGADHO Cc1ccc([C@H](NC[C@@H](C)C[NH+](C)C)C2CC2)cc1 ZINC000388908515 397690901 /nfs/dbraw/zinc/69/09/01/397690901.db2.gz MRGVAKAYNAKOMC-PBHICJAKSA-N 1 3 260.425 3.233 20 0 CGADHO c1c2c(oc1-c1ccccc1)CCN(CC1CC[NH2+]CC1)C2 ZINC000650499771 397859091 /nfs/dbraw/zinc/85/90/91/397859091.db2.gz BLQRGGCAJZGIOF-UHFFFAOYSA-N 1 3 296.414 3.304 20 0 CGADHO Cc1cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc2cccnc12 ZINC000650711118 397899147 /nfs/dbraw/zinc/89/91/47/397899147.db2.gz JFIOAQBRTHPYIJ-KDOFPFPSSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)cc2cccnc12 ZINC000650711118 397899149 /nfs/dbraw/zinc/89/91/49/397899149.db2.gz JFIOAQBRTHPYIJ-KDOFPFPSSA-N 1 3 297.446 3.493 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)cc2cccnc12 ZINC000650711118 397899151 /nfs/dbraw/zinc/89/91/51/397899151.db2.gz JFIOAQBRTHPYIJ-KDOFPFPSSA-N 1 3 297.446 3.493 20 0 CGADHO [NH3+]CC1(CCNCc2nc(-c3ccccc3)cs2)CC1 ZINC000650712545 397899482 /nfs/dbraw/zinc/89/94/82/397899482.db2.gz JQNOWWQVQGJHDU-UHFFFAOYSA-N 1 3 287.432 3.029 20 0 CGADHO CC[C@H](OCC[NH2+][C@@H](C)[C@H]1CCCCN1)c1ccccc1 ZINC000650742176 397904762 /nfs/dbraw/zinc/90/47/62/397904762.db2.gz SINOBCWFLJOGTE-JQHSSLGASA-N 1 3 290.451 3.275 20 0 CGADHO CC[C@H](OCC[NH2+][C@H](C)[C@@H]1CCCCN1)c1ccccc1 ZINC000650742178 397905164 /nfs/dbraw/zinc/90/51/64/397905164.db2.gz SINOBCWFLJOGTE-NJAFHUGGSA-N 1 3 290.451 3.275 20 0 CGADHO C[C@@H](NCCC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000650763617 397912808 /nfs/dbraw/zinc/91/28/08/397912808.db2.gz FUUXNOZSDQUIEG-LLVKDONJSA-N 1 3 268.351 3.005 20 0 CGADHO CCC[NH+]1CCC(N[C@@H](C)COc2cccc(F)c2)CC1 ZINC000675763103 543361420 /nfs/dbraw/zinc/36/14/20/543361420.db2.gz DJOKSYFAZWLMTA-AWEZNQCLSA-N 1 3 294.414 3.057 20 0 CGADHO CC[C@H](COC)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000675894101 543371199 /nfs/dbraw/zinc/37/11/99/543371199.db2.gz CHCFOESPZQYGCX-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CC[C@H](COC)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000675894101 543371201 /nfs/dbraw/zinc/37/12/01/543371201.db2.gz CHCFOESPZQYGCX-INMHGKMJSA-N 1 3 282.472 3.044 20 0 CGADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000676901208 543423364 /nfs/dbraw/zinc/42/33/64/543423364.db2.gz UERQBKMQAPJJGC-HRCADAONSA-N 1 3 264.457 3.419 20 0 CGADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1C2CC3CC(C2)CC1C3 ZINC000677237959 543440586 /nfs/dbraw/zinc/44/05/86/543440586.db2.gz RYIRXXFVSYPSMZ-XCWFVBJVSA-N 1 3 288.479 3.275 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677240762 543441356 /nfs/dbraw/zinc/44/13/56/543441356.db2.gz KBQKCMJGLKHJCL-UHOSZYNNSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677240762 543441358 /nfs/dbraw/zinc/44/13/58/543441358.db2.gz KBQKCMJGLKHJCL-UHOSZYNNSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCN3CCC[C@H]3C2)c(C)c1 ZINC000677240762 543441361 /nfs/dbraw/zinc/44/13/61/543441361.db2.gz KBQKCMJGLKHJCL-UHOSZYNNSA-N 1 3 286.463 3.451 20 0 CGADHO Cc1ccc(CC[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000677475175 543450241 /nfs/dbraw/zinc/45/02/41/543450241.db2.gz YYZLLPLEYITKCO-LJQANCHMSA-N 1 3 286.463 3.201 20 0 CGADHO Cc1ccc(CC[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000677475175 543450244 /nfs/dbraw/zinc/45/02/44/543450244.db2.gz YYZLLPLEYITKCO-LJQANCHMSA-N 1 3 286.463 3.201 20 0 CGADHO CN1CCC([C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000677475034 543450365 /nfs/dbraw/zinc/45/03/65/543450365.db2.gz KWKRYEGRGNLLAF-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO CN1CCC([C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000677475034 543450367 /nfs/dbraw/zinc/45/03/67/543450367.db2.gz KWKRYEGRGNLLAF-QGZVFWFLSA-N 1 3 264.457 3.230 20 0 CGADHO c1cc(N2CC[NH+](CC3CCCCCC3)CC2)ccn1 ZINC000678127311 543485495 /nfs/dbraw/zinc/48/54/95/543485495.db2.gz OZUNEYSFAVDRRV-UHFFFAOYSA-N 1 3 273.424 3.174 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000678590828 543539174 /nfs/dbraw/zinc/53/91/74/543539174.db2.gz KMXWTYZGJTVTPP-KFKAGJAMSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000678590828 543539176 /nfs/dbraw/zinc/53/91/76/543539176.db2.gz KMXWTYZGJTVTPP-KFKAGJAMSA-N 1 3 284.447 3.008 20 0 CGADHO c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCN3CCC[C@@H]3C1)C2 ZINC000678590828 543539179 /nfs/dbraw/zinc/53/91/79/543539179.db2.gz KMXWTYZGJTVTPP-KFKAGJAMSA-N 1 3 284.447 3.008 20 0 CGADHO C[C@@H](N[C@H]1COc2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC000678598507 543540865 /nfs/dbraw/zinc/54/08/65/543540865.db2.gz QIMIHXRKQGYTCK-ABAIWWIYSA-N 1 3 294.826 3.093 20 0 CGADHO CN(C[C@H]1CCC[N@H+](C)C1)CC(C)(C)c1ccccc1 ZINC000678815561 543561763 /nfs/dbraw/zinc/56/17/63/543561763.db2.gz HKKCZENTRKRWEZ-INIZCTEOSA-N 1 3 274.452 3.238 20 0 CGADHO CN(C[C@H]1CCC[N@@H+](C)C1)CC(C)(C)c1ccccc1 ZINC000678815561 543561764 /nfs/dbraw/zinc/56/17/64/543561764.db2.gz HKKCZENTRKRWEZ-INIZCTEOSA-N 1 3 274.452 3.238 20 0 CGADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC=C(C)C ZINC000554739438 289306899 /nfs/dbraw/zinc/30/68/99/289306899.db2.gz YIVJTTUXEMRASC-HOTGVXAUSA-N 1 3 252.446 3.443 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC=C(C)C ZINC000554739438 289306901 /nfs/dbraw/zinc/30/69/01/289306901.db2.gz YIVJTTUXEMRASC-HOTGVXAUSA-N 1 3 252.446 3.443 20 0 CGADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C12CCCCC2 ZINC000423343174 286284348 /nfs/dbraw/zinc/28/43/48/286284348.db2.gz NPLWGYNEMVRJNI-ZACQAIPSSA-N 1 3 294.483 3.094 20 0 CGADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CCNC[C@@H]1C ZINC000423392691 286386660 /nfs/dbraw/zinc/38/66/60/286386660.db2.gz LRHHWBLFOKMCQJ-ZLIFDBKOSA-N 1 3 288.435 3.005 20 0 CGADHO Cc1ccc2c(c1)[C@@H](NCCC[NH+]1CCCC1)[C@H](C)C2 ZINC000491329577 292352473 /nfs/dbraw/zinc/35/24/73/292352473.db2.gz MZHXNPLGLBODQE-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1)[C@H](C)C2 ZINC000491329577 292352474 /nfs/dbraw/zinc/35/24/74/292352474.db2.gz MZHXNPLGLBODQE-QAPCUYQASA-N 1 3 272.436 3.304 20 0 CGADHO Cc1ccc2nccc(N3CC[C@H](C)C[C@@H]3C[NH3+])c2c1 ZINC000420261742 292398259 /nfs/dbraw/zinc/39/82/59/292398259.db2.gz QOVOTOXLKNTYHK-UONOGXRCSA-N 1 3 269.392 3.107 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccco1)c1ccccc1 ZINC000312477988 298391846 /nfs/dbraw/zinc/39/18/46/298391846.db2.gz YCVARVSANBLZQB-RHSMWYFYSA-N 1 3 272.392 3.476 20 0 CGADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2c(Br)cccc21 ZINC000423308894 298529519 /nfs/dbraw/zinc/52/95/19/298529519.db2.gz PDLUIUSEXRJJBV-QMTHXVAHSA-N 1 3 297.240 3.011 20 0 CGADHO C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000356704229 287022514 /nfs/dbraw/zinc/02/25/14/287022514.db2.gz VNBFKLIDMFCASU-HZPDHXFCSA-N 1 3 275.440 3.387 20 0 CGADHO C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)c1cccnc1 ZINC000356704229 287022515 /nfs/dbraw/zinc/02/25/15/287022515.db2.gz VNBFKLIDMFCASU-HZPDHXFCSA-N 1 3 275.440 3.387 20 0 CGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425703 287089647 /nfs/dbraw/zinc/08/96/47/287089647.db2.gz ARMMIZLYUJKYSV-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089425703 287089648 /nfs/dbraw/zinc/08/96/48/287089648.db2.gz ARMMIZLYUJKYSV-IAGOWNOFSA-N 1 3 276.399 3.447 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000089148346 165197808 /nfs/dbraw/zinc/19/78/08/165197808.db2.gz CFCRDNKDCOZZLZ-ZKYQVNSYSA-N 1 3 284.350 3.066 20 0 CGADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585789 287102687 /nfs/dbraw/zinc/10/26/87/287102687.db2.gz DLVIPVJULYSJBT-HZPDHXFCSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585789 287102690 /nfs/dbraw/zinc/10/26/90/287102690.db2.gz DLVIPVJULYSJBT-HZPDHXFCSA-N 1 3 296.499 3.290 20 0 CGADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000090585789 287102693 /nfs/dbraw/zinc/10/26/93/287102693.db2.gz DLVIPVJULYSJBT-HZPDHXFCSA-N 1 3 296.499 3.290 20 0 CGADHO COc1ccc(C)cc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089141917 165199049 /nfs/dbraw/zinc/19/90/49/165199049.db2.gz LPDLGQNMBADHTM-SQWLQELKSA-N 1 3 276.424 3.172 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1(C)CC1 ZINC000089215330 165199465 /nfs/dbraw/zinc/19/94/65/165199465.db2.gz RXHVMUQMSRYTSS-CQSZACIVSA-N 1 3 273.424 3.076 20 0 CGADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000089139234 165201016 /nfs/dbraw/zinc/20/10/16/165201016.db2.gz JTZGJSVFPINLQT-OCCSQVGLSA-N 1 3 286.341 3.313 20 0 CGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1cc2ccccc2o1 ZINC000090076655 165223438 /nfs/dbraw/zinc/22/34/38/165223438.db2.gz RBLCVDIAQPJGGF-CKEIUWERSA-N 1 3 286.419 3.294 20 0 CGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1cc2ccccc2o1 ZINC000090076655 165223441 /nfs/dbraw/zinc/22/34/41/165223441.db2.gz RBLCVDIAQPJGGF-CKEIUWERSA-N 1 3 286.419 3.294 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423348946 287107445 /nfs/dbraw/zinc/10/74/45/287107445.db2.gz UYASIIZYNQFYRQ-XUWVNRHRSA-N 1 3 252.446 3.181 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000093209542 165324983 /nfs/dbraw/zinc/32/49/83/165324983.db2.gz JSVFAGRUZPTCLU-CHWSQXEVSA-N 1 3 272.314 3.065 20 0 CGADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000093209540 165327026 /nfs/dbraw/zinc/32/70/26/165327026.db2.gz JSVFAGRUZPTCLU-STQMWFEESA-N 1 3 272.314 3.065 20 0 CGADHO c1cc(C2CC2)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000094518972 165352171 /nfs/dbraw/zinc/35/21/71/165352171.db2.gz HZGQOQPGZVIWMZ-UHFFFAOYSA-N 1 3 270.420 3.280 20 0 CGADHO C[C@H]1CN(CCC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000093844455 287119712 /nfs/dbraw/zinc/11/97/12/287119712.db2.gz VJHWAKQVEJXXMD-HOTGVXAUSA-N 1 3 294.483 3.140 20 0 CGADHO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000020129065 171016001 /nfs/dbraw/zinc/01/60/01/171016001.db2.gz YYVSWJFNBWJYLB-HNNXBMFYSA-N 1 3 276.424 3.222 20 0 CGADHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(F)cc1 ZINC000020129050 171016709 /nfs/dbraw/zinc/01/67/09/171016709.db2.gz ZGEHKUGDJLGGPM-INIZCTEOSA-N 1 3 264.388 3.352 20 0 CGADHO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000038041807 174043058 /nfs/dbraw/zinc/04/30/58/174043058.db2.gz RYHHSFLXUVGPAU-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO CN(C)CC(C)(C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388251 175033168 /nfs/dbraw/zinc/03/31/68/175033168.db2.gz FLXZQYYHVLOHRI-UHFFFAOYSA-N 1 3 272.795 3.157 20 0 CGADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000128044747 287301858 /nfs/dbraw/zinc/30/18/58/287301858.db2.gz CZKHMNNQUGZHSU-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000128044747 287301859 /nfs/dbraw/zinc/30/18/59/287301859.db2.gz CZKHMNNQUGZHSU-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]1CCC[C@H](CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000128044747 287301862 /nfs/dbraw/zinc/30/18/62/287301862.db2.gz CZKHMNNQUGZHSU-QBPKDAKJSA-N 1 3 264.457 3.419 20 0 CGADHO COCc1ccc(CNCCCCC[NH+]2CCCCC2)o1 ZINC000127976660 287300524 /nfs/dbraw/zinc/30/05/24/287300524.db2.gz CPMUVHGNGYYWBV-UHFFFAOYSA-N 1 3 294.439 3.172 20 0 CGADHO CCOC[C@@H](C)NCc1ccccc1C[NH+](CC)CC ZINC000128694658 287316332 /nfs/dbraw/zinc/31/63/32/287316332.db2.gz KZBAGTVKAXJHHA-OAHLLOKOSA-N 1 3 278.440 3.043 20 0 CGADHO C[C@@H](CC1CC1)[NH2+]CCCN(C)C1CCCCC1 ZINC000128762932 287317871 /nfs/dbraw/zinc/31/78/71/287317871.db2.gz LBWDXGLWXVCKLT-AWEZNQCLSA-N 1 3 252.446 3.419 20 0 CGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN)c1ccccc1 ZINC000404341830 416551218 /nfs/dbraw/zinc/55/12/18/416551218.db2.gz FIVLCEXHXOTYOM-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CCN)c1ccccc1 ZINC000404341830 416551221 /nfs/dbraw/zinc/55/12/21/416551221.db2.gz FIVLCEXHXOTYOM-INMHGKMJSA-N 1 3 260.425 3.239 20 0 CGADHO CCO[C@@H]1CN([C@@H](C)c2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405492613 416559208 /nfs/dbraw/zinc/55/92/08/416559208.db2.gz ADJXVUHYRJYMCE-GDIGMMSISA-N 1 3 298.430 3.196 20 0 CGADHO CC[C@H]1CN(Cc2ccc(C3CC3)cc2)CC[C@@H]1[NH3+] ZINC000122378582 416503304 /nfs/dbraw/zinc/50/33/04/416503304.db2.gz CVTHUKVAXURZNT-YOEHRIQHSA-N 1 3 258.409 3.123 20 0 CGADHO CC[C@H]1CN(CCCOc2ccc(C)c(C)c2)CC[C@@H]1[NH3+] ZINC000122908037 416505536 /nfs/dbraw/zinc/50/55/36/416505536.db2.gz VZGGZQGDTDQBRT-WMZOPIPTSA-N 1 3 290.451 3.132 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127915931 416511724 /nfs/dbraw/zinc/51/17/24/416511724.db2.gz IEZMBBYJSLXUJN-SYQHCUMBSA-N 1 3 290.373 3.324 20 0 CGADHO FC(F)(F)[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127915931 416511731 /nfs/dbraw/zinc/51/17/31/416511731.db2.gz IEZMBBYJSLXUJN-SYQHCUMBSA-N 1 3 290.373 3.324 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)CN1CCCCC1 ZINC000129491927 287333218 /nfs/dbraw/zinc/33/32/18/287333218.db2.gz FRYRXRZDMQEAAP-HUUCEWRRSA-N 1 3 252.446 3.277 20 0 CGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCC4)[C@@H]3C2)cc1 ZINC000680352965 543702933 /nfs/dbraw/zinc/70/29/33/543702933.db2.gz WJYSBHCOFKTXJH-QXAKKESOSA-N 1 3 284.447 3.429 20 0 CGADHO C[N@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682076088 543822386 /nfs/dbraw/zinc/82/23/86/543822386.db2.gz STMIXJPGFLKIRZ-QFBILLFUSA-N 1 3 284.447 3.338 20 0 CGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCc3ccccc32)C1 ZINC000682076088 543822389 /nfs/dbraw/zinc/82/23/89/543822389.db2.gz STMIXJPGFLKIRZ-QFBILLFUSA-N 1 3 284.447 3.338 20 0 CGADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683831385 543946227 /nfs/dbraw/zinc/94/62/27/543946227.db2.gz VFKGADDKHCOYMI-HNAYVOBHSA-N 1 3 297.446 3.397 20 0 CGADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc3cnccc3c2)[C@@H](C)C1 ZINC000683831385 543946229 /nfs/dbraw/zinc/94/62/29/543946229.db2.gz VFKGADDKHCOYMI-HNAYVOBHSA-N 1 3 297.446 3.397 20 0 CGADHO CO[C@@H]1CCC[C@H](NCCC[NH+](C(C)C)C(C)C)C1 ZINC000684385075 543990693 /nfs/dbraw/zinc/99/06/93/543990693.db2.gz UYUCWORWODSZRM-JKSUJKDBSA-N 1 3 270.461 3.043 20 0 CGADHO CO[C@@H]1CCC[C@H]([NH2+]CCCN(C(C)C)C(C)C)C1 ZINC000684385075 543990696 /nfs/dbraw/zinc/99/06/96/543990696.db2.gz UYUCWORWODSZRM-JKSUJKDBSA-N 1 3 270.461 3.043 20 0 CGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470835 544079005 /nfs/dbraw/zinc/07/90/05/544079005.db2.gz VBDQRDPAEMSPLC-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3cnccc3c2)C1 ZINC000685470835 544079007 /nfs/dbraw/zinc/07/90/07/544079007.db2.gz VBDQRDPAEMSPLC-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470835 544079009 /nfs/dbraw/zinc/07/90/09/544079009.db2.gz VBDQRDPAEMSPLC-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3cnccc3c2)C1 ZINC000685470835 544079011 /nfs/dbraw/zinc/07/90/11/544079011.db2.gz VBDQRDPAEMSPLC-MOPGFXCFSA-N 1 3 295.430 3.151 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1cccc2cnccc21 ZINC000684966582 544047827 /nfs/dbraw/zinc/04/78/27/544047827.db2.gz HZLWRTFZNPIJQU-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1cccc2cnccc21 ZINC000684966582 544047829 /nfs/dbraw/zinc/04/78/29/544047829.db2.gz HZLWRTFZNPIJQU-UHFFFAOYSA-N 1 3 283.419 3.153 20 0 CGADHO c1cc2c(ccnc2N[C@H]2CC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000664404102 418953362 /nfs/dbraw/zinc/95/33/62/418953362.db2.gz UYHBRQCOLDFSDO-ZDUSSCGKSA-N 1 3 284.407 3.382 20 0 CGADHO c1cc2c(ccnc2N[C@H]2CC[N@H+](C3CCCCC3)C2)[nH]1 ZINC000664404102 418953364 /nfs/dbraw/zinc/95/33/64/418953364.db2.gz UYHBRQCOLDFSDO-ZDUSSCGKSA-N 1 3 284.407 3.382 20 0 CGADHO COCCC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(F)cc1 ZINC000665246768 419090229 /nfs/dbraw/zinc/09/02/29/419090229.db2.gz NJLCQCZYWVHQKD-INIZCTEOSA-N 1 3 294.414 3.155 20 0 CGADHO C[C@@H]([NH2+]CC1(N)CCCC1)c1cccc(C2CC2)c1 ZINC000665247301 419090605 /nfs/dbraw/zinc/09/06/05/419090605.db2.gz ZVROEANZRLYIQA-CYBMUJFWSA-N 1 3 258.409 3.486 20 0 CGADHO CC1(C)[C@H]([NH2+]CC2(N)CCCC2)C[C@@H]1Oc1ccccc1 ZINC000665246330 419090847 /nfs/dbraw/zinc/09/08/47/419090847.db2.gz BVJBFGMJWZDUDV-CVEARBPZSA-N 1 3 288.435 3.094 20 0 CGADHO CCC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(OC)cc1 ZINC000665249754 419091640 /nfs/dbraw/zinc/09/16/40/419091640.db2.gz YNIVOLPYFRXVRR-MRXNPFEDSA-N 1 3 276.424 3.398 20 0 CGADHO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000665249434 419091773 /nfs/dbraw/zinc/09/17/73/419091773.db2.gz QGIFZMAGHRZJJB-AWEZNQCLSA-N 1 3 276.424 3.396 20 0 CGADHO CCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253273 419094086 /nfs/dbraw/zinc/09/40/86/419094086.db2.gz MFBJEWSIEZJQDK-DAXOMENPSA-N 1 3 264.388 3.049 20 0 CGADHO CCC[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665258740 419095733 /nfs/dbraw/zinc/09/57/33/419095733.db2.gz KISNUFLBMYXFPP-JGGQBBKZSA-N 1 3 294.414 3.058 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCc2sccc21 ZINC000665280968 419100802 /nfs/dbraw/zinc/10/08/02/419100802.db2.gz QRCIDYXHWPXCEJ-OLZOCXBDSA-N 1 3 252.427 3.089 20 0 CGADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1Cl ZINC000655805282 419100885 /nfs/dbraw/zinc/10/08/85/419100885.db2.gz FNHVWUYSFWTCRT-WZRBSPASSA-N 1 3 284.806 3.470 20 0 CGADHO Cc1cnc(CCNC2CC[NH+](C(C)(C)C)CC2)c(C)c1 ZINC000655809176 419101857 /nfs/dbraw/zinc/10/18/57/419101857.db2.gz SKYZQRICTVXNJX-UHFFFAOYSA-N 1 3 289.467 3.093 20 0 CGADHO Cc1cnc(CC[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC000655809176 419101862 /nfs/dbraw/zinc/10/18/62/419101862.db2.gz SKYZQRICTVXNJX-UHFFFAOYSA-N 1 3 289.467 3.093 20 0 CGADHO CC(C)[C@H]([NH3+])CCN[C@@H](CC1CC1)c1ccccc1 ZINC000665280922 419101798 /nfs/dbraw/zinc/10/17/98/419101798.db2.gz PHVAUCAKGUJRDU-SJORKVTESA-N 1 3 260.425 3.491 20 0 CGADHO CCOc1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000665279705 419102169 /nfs/dbraw/zinc/10/21/69/419102169.db2.gz KGJQMXQDFVXFHP-XJKSGUPXSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000665281114 419102521 /nfs/dbraw/zinc/10/25/21/419102521.db2.gz VERNSAMOPRFVJO-SJORKVTESA-N 1 3 280.431 3.356 20 0 CGADHO CC[C@H](Cc1cccs1)NCC[C@@H]([NH3+])C(C)C ZINC000665281302 419103545 /nfs/dbraw/zinc/10/35/45/419103545.db2.gz ZIHVYCUCIMCWCA-TZMCWYRMSA-N 1 3 254.443 3.032 20 0 CGADHO CC[C@H](Cc1cccs1)[NH2+]CC[C@@H](N)C(C)C ZINC000665281302 419103548 /nfs/dbraw/zinc/10/35/48/419103548.db2.gz ZIHVYCUCIMCWCA-TZMCWYRMSA-N 1 3 254.443 3.032 20 0 CGADHO COc1cccc2c1CCC[C@@H]2NCC[C@@H]([NH3+])C(C)C ZINC000665282340 419103741 /nfs/dbraw/zinc/10/37/41/419103741.db2.gz VZXDZPLTTRZCRC-CVEARBPZSA-N 1 3 276.424 3.036 20 0 CGADHO CCC[N@H+](C)C[C@H]1CCN(CCCC2CCC2)C1 ZINC000659981931 419052420 /nfs/dbraw/zinc/05/24/20/419052420.db2.gz AFYQBEHAYFENKX-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCC[N@@H+](C)C[C@H]1CCN(CCCC2CCC2)C1 ZINC000659981931 419052423 /nfs/dbraw/zinc/05/24/23/419052423.db2.gz AFYQBEHAYFENKX-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659981931 419052425 /nfs/dbraw/zinc/05/24/25/419052425.db2.gz AFYQBEHAYFENKX-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CCCN(C)C[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000659981931 419052430 /nfs/dbraw/zinc/05/24/30/419052430.db2.gz AFYQBEHAYFENKX-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(CN(C)C)c2)CS1 ZINC000655685642 419065458 /nfs/dbraw/zinc/06/54/58/419065458.db2.gz JUSDIMMPKOKLCT-CJNGLKHVSA-N 1 3 278.465 3.122 20 0 CGADHO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000660415642 419141225 /nfs/dbraw/zinc/14/12/25/419141225.db2.gz GUVNIZWTWBDOBS-CHWSQXEVSA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000660415642 419141229 /nfs/dbraw/zinc/14/12/29/419141229.db2.gz GUVNIZWTWBDOBS-CHWSQXEVSA-N 1 3 262.388 3.084 20 0 CGADHO CC[C@H](CC(F)F)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000660415642 419141231 /nfs/dbraw/zinc/14/12/31/419141231.db2.gz GUVNIZWTWBDOBS-CHWSQXEVSA-N 1 3 262.388 3.084 20 0 CGADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1c(Cl)cccc1Cl ZINC000656199852 419148102 /nfs/dbraw/zinc/14/81/02/419148102.db2.gz GASPQQFGHPWKJG-KBPBESRZSA-N 1 3 287.234 3.395 20 0 CGADHO Cc1ccc(C2(N[C@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000656200232 419150127 /nfs/dbraw/zinc/15/01/27/419150127.db2.gz JCNLETGRIVGWQR-CVEARBPZSA-N 1 3 258.409 3.234 20 0 CGADHO Cc1ccc(C2(N[C@@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000656200235 419150227 /nfs/dbraw/zinc/15/02/27/419150227.db2.gz JCNLETGRIVGWQR-JKSUJKDBSA-N 1 3 258.409 3.234 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@H+](CCCCC(F)(F)F)C2 ZINC000660659036 419176516 /nfs/dbraw/zinc/17/65/16/419176516.db2.gz JOKXBRDTJZQLQJ-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCCCC(F)(F)F)C2 ZINC000660659036 419176518 /nfs/dbraw/zinc/17/65/18/419176518.db2.gz JOKXBRDTJZQLQJ-CYBMUJFWSA-N 1 3 278.362 3.137 20 0 CGADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCCC1CCOCC1)C2 ZINC000660665922 419180213 /nfs/dbraw/zinc/18/02/13/419180213.db2.gz ZIOJUOZVAKSZGD-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCCC1CCOCC1)C2 ZINC000660665922 419180216 /nfs/dbraw/zinc/18/02/16/419180216.db2.gz ZIOJUOZVAKSZGD-SFHVURJKSA-N 1 3 294.483 3.001 20 0 CGADHO C1=C(C[NH+]2CCC(NCc3ccccc3)CC2)CCC1 ZINC000660680215 419182562 /nfs/dbraw/zinc/18/25/62/419182562.db2.gz RDIDKZKLCXSQQS-UHFFFAOYSA-N 1 3 270.420 3.351 20 0 CGADHO CC[C@H]1C[C@H](NCc2ccc(C[NH+](CC)CC)cc2)CO1 ZINC000657297439 419245798 /nfs/dbraw/zinc/24/57/98/419245798.db2.gz NVFCZONQHCHBNK-ROUUACIJSA-N 1 3 290.451 3.186 20 0 CGADHO CC[C@@H]1C[C@@H](NCc2cccc(C[N@H+](C)C(C)C)c2)CO1 ZINC000657332092 419252604 /nfs/dbraw/zinc/25/26/04/419252604.db2.gz BBUBLZOESYTABM-QZTJIDSGSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@@H]1C[C@@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)CO1 ZINC000657332092 419252606 /nfs/dbraw/zinc/25/26/06/419252606.db2.gz BBUBLZOESYTABM-QZTJIDSGSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@H]1C[C@H](NCc2cccc(C[N@H+](C)C(C)C)c2)CO1 ZINC000657332093 419252911 /nfs/dbraw/zinc/25/29/11/419252911.db2.gz BBUBLZOESYTABM-ROUUACIJSA-N 1 3 290.451 3.184 20 0 CGADHO CC[C@H]1C[C@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)CO1 ZINC000657332093 419252913 /nfs/dbraw/zinc/25/29/13/419252913.db2.gz BBUBLZOESYTABM-ROUUACIJSA-N 1 3 290.451 3.184 20 0 CGADHO C[C@@H](CCc1cccc(F)c1)NCC1([NH3+])CCCC1 ZINC000656789086 419221445 /nfs/dbraw/zinc/22/14/45/419221445.db2.gz IQFBSJJINPVMLB-ZDUSSCGKSA-N 1 3 264.388 3.008 20 0 CGADHO c1cc(CN2CCC(C[NH2+]C[C@@H]3CC=CCC3)CC2)ccn1 ZINC000657611687 419313286 /nfs/dbraw/zinc/31/32/86/419313286.db2.gz CRBIMEAFZUYJOK-QGZVFWFLSA-N 1 3 299.462 3.240 20 0 CGADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000657870781 419395798 /nfs/dbraw/zinc/39/57/98/419395798.db2.gz FXUBLEXWEVWMGV-STQMWFEESA-N 1 3 276.415 3.376 20 0 CGADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cc2cnccc2o1 ZINC000657823899 419373119 /nfs/dbraw/zinc/37/31/19/419373119.db2.gz LFTCBZRSCKLJLP-AWEZNQCLSA-N 1 3 287.407 3.354 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662246181 419373798 /nfs/dbraw/zinc/37/37/98/419373798.db2.gz PGPBJCTYDSGZOI-RRFJBIMHSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662246181 419373802 /nfs/dbraw/zinc/37/38/02/419373802.db2.gz PGPBJCTYDSGZOI-RRFJBIMHSA-N 1 3 252.446 3.262 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264372 419375846 /nfs/dbraw/zinc/37/58/46/419375846.db2.gz JGRFYSUQAQETKP-YFHUEUNASA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662264372 419375849 /nfs/dbraw/zinc/37/58/49/419375849.db2.gz JGRFYSUQAQETKP-YFHUEUNASA-N 1 3 272.436 3.239 20 0 CGADHO C[C@@H]1C[C@H](C[NH3+])CN1CCSc1cccc(Cl)c1 ZINC000662266369 419376758 /nfs/dbraw/zinc/37/67/58/419376758.db2.gz WUGFHYFHYCYQJY-VXGBXAGGSA-N 1 3 284.856 3.101 20 0 CGADHO C1CCC(N2CCC([NH2+][C@@H]3CCCSCC3)CC2)C1 ZINC000657900296 419422851 /nfs/dbraw/zinc/42/28/51/419422851.db2.gz HIGGHCWXVCIRTE-CQSZACIVSA-N 1 3 282.497 3.269 20 0 CGADHO CC(C)C[C@@H](C[NH2+]CC12CC(C1)CN2)c1ccccc1 ZINC000663499630 419636089 /nfs/dbraw/zinc/63/60/89/419636089.db2.gz FDHRVIWHJSTZQS-NXYGQSRBSA-N 1 3 272.436 3.158 20 0 CGADHO CC(C)[C@H]([NH3+])CCNCCCc1c(F)cccc1Cl ZINC000663502645 419636382 /nfs/dbraw/zinc/63/63/82/419636382.db2.gz JFOHWEQAELDSAV-OAHLLOKOSA-N 1 3 286.822 3.375 20 0 CGADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000663501632 419637552 /nfs/dbraw/zinc/63/75/52/419637552.db2.gz ALHTVKWJXXCMMM-OKZBNKHCSA-N 1 3 274.452 3.361 20 0 CGADHO C([NH2+][C@H]1CCC12CCCC2)[C@H]1CCCN(CC2CC2)C1 ZINC000663466364 419617662 /nfs/dbraw/zinc/61/76/62/419617662.db2.gz RSQJJBPFDLRUAH-SJORKVTESA-N 1 3 276.468 3.421 20 0 CGADHO CCCC[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663468867 419620057 /nfs/dbraw/zinc/62/00/57/419620057.db2.gz NBSWXPPKSVWXNQ-HOCLYGCPSA-N 1 3 252.446 3.277 20 0 CGADHO CCO[C@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658160905 419622567 /nfs/dbraw/zinc/62/25/67/419622567.db2.gz GZCWCZFTWDCWLH-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO CCO[C@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000658160905 419622577 /nfs/dbraw/zinc/62/25/77/419622577.db2.gz GZCWCZFTWDCWLH-VDHUWJSZSA-N 1 3 294.483 3.187 20 0 CGADHO FC1(F)CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000390692179 262241462 /nfs/dbraw/zinc/24/14/62/262241462.db2.gz AZSCLKMOBHAIRT-LXTVHRRPSA-N 1 3 286.410 3.322 20 0 CGADHO FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000390692179 262241463 /nfs/dbraw/zinc/24/14/63/262241463.db2.gz AZSCLKMOBHAIRT-LXTVHRRPSA-N 1 3 286.410 3.322 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCC[N@H+](C)C1 ZINC000044535581 270035962 /nfs/dbraw/zinc/03/59/62/270035962.db2.gz DSHKQURYYKKANV-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044535581 270035963 /nfs/dbraw/zinc/03/59/63/270035963.db2.gz DSHKQURYYKKANV-KBXCAEBGSA-N 1 3 288.435 3.004 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533787 270036197 /nfs/dbraw/zinc/03/61/97/270036197.db2.gz HGNABTTUYJSSMH-CABCVRRESA-N 1 3 272.436 3.168 20 0 CGADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC2 ZINC000044533787 270036199 /nfs/dbraw/zinc/03/61/99/270036199.db2.gz HGNABTTUYJSSMH-CABCVRRESA-N 1 3 272.436 3.168 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533858 270036479 /nfs/dbraw/zinc/03/64/79/270036479.db2.gz VCBDPTKIFXLABH-QWHCGFSZSA-N 1 3 298.377 3.280 20 0 CGADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cccc(OC(F)F)c1 ZINC000044533858 270036480 /nfs/dbraw/zinc/03/64/80/270036480.db2.gz VCBDPTKIFXLABH-QWHCGFSZSA-N 1 3 298.377 3.280 20 0 CGADHO CCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534859 270036586 /nfs/dbraw/zinc/03/65/86/270036586.db2.gz UCLRVEMIQPUHJP-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO CCCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534859 270036588 /nfs/dbraw/zinc/03/65/88/270036588.db2.gz UCLRVEMIQPUHJP-HZPDHXFCSA-N 1 3 290.451 3.468 20 0 CGADHO C[N@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000211937510 270085078 /nfs/dbraw/zinc/08/50/78/270085078.db2.gz DRLWMKUJRGXQMC-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO C[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000211937510 270085079 /nfs/dbraw/zinc/08/50/79/270085079.db2.gz DRLWMKUJRGXQMC-UHFFFAOYSA-N 1 3 258.409 3.097 20 0 CGADHO C[C@@H]1C[C@H](N[C@H](c2ccc(F)cc2)C2CC2)CC[N@@H+]1C ZINC000227419094 270086918 /nfs/dbraw/zinc/08/69/18/270086918.db2.gz PWWKXQLCRGWCFG-JLZZUVOBSA-N 1 3 276.399 3.349 20 0 CGADHO C[C@@H]1C[C@H](N[C@H](c2ccc(F)cc2)C2CC2)CC[N@H+]1C ZINC000227419094 270086919 /nfs/dbraw/zinc/08/69/19/270086919.db2.gz PWWKXQLCRGWCFG-JLZZUVOBSA-N 1 3 276.399 3.349 20 0 CGADHO CC(C)[C@H](CC(F)(F)F)NC1CC[NH+](CC2CC2)CC1 ZINC000526108130 270122853 /nfs/dbraw/zinc/12/28/53/270122853.db2.gz NEABBGURYRIABW-AWEZNQCLSA-N 1 3 292.389 3.427 20 0 CGADHO COC[C@H](NCCC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000526107021 270123009 /nfs/dbraw/zinc/12/30/09/270123009.db2.gz GYOAQDYFXPVWPO-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO COC[C@H](NCCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000526107021 270123010 /nfs/dbraw/zinc/12/30/10/270123010.db2.gz GYOAQDYFXPVWPO-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO COC[C@H]([NH2+]CCCN(C)C1CCCCC1)C1CCCC1 ZINC000526107021 270123011 /nfs/dbraw/zinc/12/30/11/270123011.db2.gz GYOAQDYFXPVWPO-SFHVURJKSA-N 1 3 296.499 3.436 20 0 CGADHO CN1CC=C(c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000527587609 270129876 /nfs/dbraw/zinc/12/98/76/270129876.db2.gz MJCOVLRBZDZYGD-UHFFFAOYSA-N 1 3 256.393 3.001 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000527637696 270130310 /nfs/dbraw/zinc/13/03/10/270130310.db2.gz KXAQZZFPYZAKOL-STQMWFEESA-N 1 3 274.399 3.274 20 0 CGADHO CCC(F)(F)C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527637696 270130311 /nfs/dbraw/zinc/13/03/11/270130311.db2.gz KXAQZZFPYZAKOL-STQMWFEESA-N 1 3 274.399 3.274 20 0 CGADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C(C1CCC1)C1CCC1 ZINC000527734704 270133249 /nfs/dbraw/zinc/13/32/49/270133249.db2.gz MAJLPXFUSZANJF-SJORKVTESA-N 1 3 276.468 3.419 20 0 CGADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CC12CC2 ZINC000527861814 270140434 /nfs/dbraw/zinc/14/04/34/270140434.db2.gz DCZBTRDSJQBQEL-RHSMWYFYSA-N 1 3 285.435 3.076 20 0 CGADHO C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC12CC2)N1CCCCC1 ZINC000527884544 270141923 /nfs/dbraw/zinc/14/19/23/270141923.db2.gz GJNKSXPLCCBSIB-SOUVJXGZSA-N 1 3 250.430 3.029 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530215539 270195620 /nfs/dbraw/zinc/19/56/20/270195620.db2.gz HGVVRGHVNZXWGR-GBJTYRQASA-N 1 3 250.430 3.075 20 0 CGADHO CC[C@@H]1CC[C@H](C)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530215539 270195621 /nfs/dbraw/zinc/19/56/21/270195621.db2.gz HGVVRGHVNZXWGR-GBJTYRQASA-N 1 3 250.430 3.075 20 0 CGADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530217723 270196222 /nfs/dbraw/zinc/19/62/22/270196222.db2.gz HFLSRNBCLHBYAE-DLBZAZTESA-N 1 3 290.426 3.267 20 0 CGADHO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN(C)C ZINC000531694849 270208895 /nfs/dbraw/zinc/20/88/95/270208895.db2.gz UTRSIJLZQJBVRY-RDJZCZTQSA-N 1 3 290.451 3.295 20 0 CGADHO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000532214876 270214113 /nfs/dbraw/zinc/21/41/13/270214113.db2.gz VSLOADCTNBYXPP-CVEARBPZSA-N 1 3 292.467 3.194 20 0 CGADHO CC(C)[N@H+](C)CC1CCN([C@H](C)c2ccccn2)CC1 ZINC000533272907 270223204 /nfs/dbraw/zinc/22/32/04/270223204.db2.gz QTJMDIHRLWVWQS-OAHLLOKOSA-N 1 3 275.440 3.195 20 0 CGADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)c2ccccn2)CC1 ZINC000533272907 270223205 /nfs/dbraw/zinc/22/32/05/270223205.db2.gz QTJMDIHRLWVWQS-OAHLLOKOSA-N 1 3 275.440 3.195 20 0 CGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228744 274335594 /nfs/dbraw/zinc/33/55/94/274335594.db2.gz BYMUYTSMDIHTQV-NVGVWMPQSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000453228744 274335595 /nfs/dbraw/zinc/33/55/95/274335595.db2.gz BYMUYTSMDIHTQV-NVGVWMPQSA-N 1 3 294.389 3.272 20 0 CGADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423407410 274377560 /nfs/dbraw/zinc/37/75/60/274377560.db2.gz VTBYCOKGSPCNDZ-XFBWCDHKSA-N 1 3 278.827 3.305 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccccc32)CCN1 ZINC000423397864 274393945 /nfs/dbraw/zinc/39/39/45/274393945.db2.gz VARDHUXPQRFOPX-KMFMINBZSA-N 1 3 258.409 3.184 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CNC3)C[C@@H]1C ZINC000423400482 287792214 /nfs/dbraw/zinc/79/22/14/287792214.db2.gz VNNUAAVZVUFIEI-IGCXYCKISA-N 1 3 258.409 3.204 20 0 CGADHO c1ccc2c(c1)-c1ccccc1C2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000262526420 275069120 /nfs/dbraw/zinc/06/91/20/275069120.db2.gz OZGSESPXXRCWTR-FQEVSTJZSA-N 1 3 290.410 3.442 20 0 CGADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCCC1 ZINC000427598975 275672189 /nfs/dbraw/zinc/67/21/89/275672189.db2.gz KMPYJFLCBHKXSL-GOSISDBHSA-N 1 3 274.452 3.329 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000093770766 276074923 /nfs/dbraw/zinc/07/49/23/276074923.db2.gz WZXRRQDXIYQNDP-UYSNPLJNSA-N 1 3 252.446 3.086 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000093770766 276074924 /nfs/dbraw/zinc/07/49/24/276074924.db2.gz WZXRRQDXIYQNDP-UYSNPLJNSA-N 1 3 252.446 3.086 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432799784 276179374 /nfs/dbraw/zinc/17/93/74/276179374.db2.gz ZOFNZRBDFFJXPY-GVDBMIGSSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432799784 276179375 /nfs/dbraw/zinc/17/93/75/276179375.db2.gz ZOFNZRBDFFJXPY-GVDBMIGSSA-N 1 3 264.457 3.395 20 0 CGADHO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCN(C)C(C)C ZINC000479527481 276180301 /nfs/dbraw/zinc/18/03/01/276180301.db2.gz MRJINYVPPJGYRQ-JKSUJKDBSA-N 1 3 252.446 3.299 20 0 CGADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000353940899 276331105 /nfs/dbraw/zinc/33/11/05/276331105.db2.gz CWKOKDLADSVPEJ-IXDOHACOSA-N 1 3 282.472 3.046 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000483253515 276368664 /nfs/dbraw/zinc/36/86/64/276368664.db2.gz LGQVWJOLCLFYBQ-INIZCTEOSA-N 1 3 252.446 3.278 20 0 CGADHO c1c2ccccc2oc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278528141 287899655 /nfs/dbraw/zinc/89/96/55/287899655.db2.gz UJKOOGHUZQDYCC-UHFFFAOYSA-N 1 3 284.403 3.397 20 0 CGADHO C[N@H+]1CC=C(CN[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000336145079 277023617 /nfs/dbraw/zinc/02/36/17/277023617.db2.gz POTJDGICMGESFT-HNNXBMFYSA-N 1 3 292.423 3.214 20 0 CGADHO C[N@@H+]1CC=C(CN[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000336145079 277023618 /nfs/dbraw/zinc/02/36/18/277023618.db2.gz POTJDGICMGESFT-HNNXBMFYSA-N 1 3 292.423 3.214 20 0 CGADHO CC(C)(C)N1CCC([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000368653569 277152001 /nfs/dbraw/zinc/15/20/01/277152001.db2.gz SYZXZCYABGTORC-WMZOPIPTSA-N 1 3 294.483 3.044 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccc(Cl)cc1 ZINC000422733245 277303669 /nfs/dbraw/zinc/30/36/69/277303669.db2.gz QQVCUHCCPWCGMQ-WFASDCNBSA-N 1 3 280.843 3.335 20 0 CGADHO CO[C@H](C)[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000343436607 277326005 /nfs/dbraw/zinc/32/60/05/277326005.db2.gz BYEDBKLNBQYMCQ-MPTYRVRUSA-N 1 3 282.472 3.043 20 0 CGADHO CO[C@H](C)[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000343436607 277326007 /nfs/dbraw/zinc/32/60/07/277326007.db2.gz BYEDBKLNBQYMCQ-MPTYRVRUSA-N 1 3 282.472 3.043 20 0 CGADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC1(F)CCC1 ZINC000423122597 277591902 /nfs/dbraw/zinc/59/19/02/277591902.db2.gz KEEBFVWNLFYPLW-KBPBESRZSA-N 1 3 256.409 3.169 20 0 CGADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1(C)C ZINC000185235119 277696760 /nfs/dbraw/zinc/69/67/60/277696760.db2.gz HFJYNRUMUVWZHW-QXSJWSMHSA-N 1 3 282.472 3.041 20 0 CGADHO C[C@@H]1C[C@@H](C)N(Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000397250857 288022113 /nfs/dbraw/zinc/02/21/13/288022113.db2.gz DERHPMJCNRKNRY-CKEIUWERSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3cccnc32)C[C@H]1CN ZINC000397250857 288022114 /nfs/dbraw/zinc/02/21/14/288022114.db2.gz DERHPMJCNRKNRY-CKEIUWERSA-N 1 3 283.419 3.040 20 0 CGADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3cccnc32)C[C@H]1CN ZINC000397250857 288022115 /nfs/dbraw/zinc/02/21/15/288022115.db2.gz DERHPMJCNRKNRY-CKEIUWERSA-N 1 3 283.419 3.040 20 0 CGADHO Cc1cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)s1 ZINC000397281356 288022670 /nfs/dbraw/zinc/02/26/70/288022670.db2.gz APMPDIZUMOMZMD-RWSFTLGLSA-N 1 3 266.454 3.170 20 0 CGADHO C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)[C@@H]1CC1(C)C ZINC000397664939 288026617 /nfs/dbraw/zinc/02/66/17/288026617.db2.gz DFFUWWTYIHWBCD-AAEUAGOBSA-N 1 3 252.446 3.320 20 0 CGADHO C[C@@H](NC1(Cc2ccc(Cl)cc2)CCC1)C1C[NH2+]C1 ZINC000423138888 278333253 /nfs/dbraw/zinc/33/32/53/278333253.db2.gz YOABBEUSZZRQLS-GFCCVEGCSA-N 1 3 278.827 3.003 20 0 CGADHO C[C@@H]([NH2+]C1(Cc2ccc(Cl)cc2)CCC1)C1CNC1 ZINC000423138888 278333257 /nfs/dbraw/zinc/33/32/57/278333257.db2.gz YOABBEUSZZRQLS-GFCCVEGCSA-N 1 3 278.827 3.003 20 0 CGADHO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298597980 278350523 /nfs/dbraw/zinc/35/05/23/278350523.db2.gz YXLBWYSEHYPILT-GJZGRUSLSA-N 1 3 287.451 3.465 20 0 CGADHO C[C@@H]([NH2+][C@H]1CCCc2c(Br)cccc21)[C@H](C)N ZINC000423451370 278382648 /nfs/dbraw/zinc/38/26/48/278382648.db2.gz UUMXMPMHIYLIDQ-RBZYPMLTSA-N 1 3 297.240 3.152 20 0 CGADHO CC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000174316334 278524736 /nfs/dbraw/zinc/52/47/36/278524736.db2.gz OLQWLMLYERMKLO-JCCCHCCOSA-N 1 3 282.472 3.044 20 0 CGADHO CC(C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000414809896 278711691 /nfs/dbraw/zinc/71/16/91/278711691.db2.gz UUFPQHATYVMSQL-GYTBAZASSA-N 1 3 252.446 3.308 20 0 CGADHO Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423372800 278880458 /nfs/dbraw/zinc/88/04/58/278880458.db2.gz HEXHYJHBKDGOMH-DZKIICNBSA-N 1 3 274.408 3.068 20 0 CGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000459390963 288087988 /nfs/dbraw/zinc/08/79/88/288087988.db2.gz QVKMWVYNYWGQLZ-INIZCTEOSA-N 1 3 272.436 3.386 20 0 CGADHO CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000228928978 288089942 /nfs/dbraw/zinc/08/99/42/288089942.db2.gz HAGCZVDFBPOYSR-RCBQFDQVSA-N 1 3 264.388 3.349 20 0 CGADHO CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000228928978 288089944 /nfs/dbraw/zinc/08/99/44/288089944.db2.gz HAGCZVDFBPOYSR-RCBQFDQVSA-N 1 3 264.388 3.349 20 0 CGADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423049309 279067140 /nfs/dbraw/zinc/06/71/40/279067140.db2.gz JLERSPPIBOWSGS-XDNAFOTISA-N 1 3 288.435 3.315 20 0 CGADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414920581 279097154 /nfs/dbraw/zinc/09/71/54/279097154.db2.gz ZRMJVCHDUPYSQN-ARFHVFGLSA-N 1 3 254.462 3.427 20 0 CGADHO CC(C)C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccn1 ZINC000423450253 279195430 /nfs/dbraw/zinc/19/54/30/279195430.db2.gz XCGVGHOKKUSBIY-JQHSSLGASA-N 1 3 287.451 3.147 20 0 CGADHO C[C@H](CCCC[NH3+])N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423161120 279255277 /nfs/dbraw/zinc/25/52/77/279255277.db2.gz NIZODPIAEMFZSM-BXKDBHETSA-N 1 3 286.341 3.198 20 0 CGADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)CN1CCCC1 ZINC000085100343 279349396 /nfs/dbraw/zinc/34/93/96/279349396.db2.gz DGLOHPLPSBYPPO-QKPAOTATSA-N 1 3 252.446 3.133 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424367770 279378944 /nfs/dbraw/zinc/37/89/44/279378944.db2.gz NSTIDUBPCIFIAP-KCPJHIHWSA-N 1 3 266.816 3.131 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168926 288133948 /nfs/dbraw/zinc/13/39/48/288133948.db2.gz UTCBYNDHNVWCIS-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000519168926 288133951 /nfs/dbraw/zinc/13/39/51/288133951.db2.gz UTCBYNDHNVWCIS-RDJZCZTQSA-N 1 3 284.403 3.349 20 0 CGADHO CCOC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000474797461 279750547 /nfs/dbraw/zinc/75/05/47/279750547.db2.gz SIMMBQJEAQESTB-CRAIPNDOSA-N 1 3 294.483 3.188 20 0 CGADHO C[C@H]1c2cc(F)cc(F)c2CCN1CCC1CC[NH2+]CC1 ZINC000359221765 280123079 /nfs/dbraw/zinc/12/30/79/280123079.db2.gz XVMGQNXUTIDAQS-LBPRGKRZSA-N 1 3 294.389 3.274 20 0 CGADHO CC(C)[C@H](C[N@@H+]1CC[C@@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415134925 280238682 /nfs/dbraw/zinc/23/86/82/280238682.db2.gz WLAAAYPDXZIMCF-NXHRZFHOSA-N 1 3 274.452 3.343 20 0 CGADHO CC(C)[C@H](C[N@H+]1CC[C@@H](C)[C@H](CN)C1)c1ccccc1 ZINC000415134925 280238685 /nfs/dbraw/zinc/23/86/85/280238685.db2.gz WLAAAYPDXZIMCF-NXHRZFHOSA-N 1 3 274.452 3.343 20 0 CGADHO CC(C)[C@H](NCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423197276 280325196 /nfs/dbraw/zinc/32/51/96/280325196.db2.gz YSBDYJAVPIBJKT-ZDUSSCGKSA-N 1 3 274.330 3.341 20 0 CGADHO CC(C)[C@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CCO1 ZINC000070346731 280440414 /nfs/dbraw/zinc/44/04/14/280440414.db2.gz SNBWKBMUHLCAFO-UKRRQHHQSA-N 1 3 282.472 3.089 20 0 CGADHO Cc1ccc([C@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)c(C)c1 ZINC000262137853 281000812 /nfs/dbraw/zinc/00/08/12/281000812.db2.gz YVWGDTWJQZOMCU-FUHWJXTLSA-N 1 3 272.436 3.092 20 0 CGADHO CC1(C)CCC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423532674 281067685 /nfs/dbraw/zinc/06/76/85/281067685.db2.gz VSTCRAIJBYJOMC-PKSOCPPESA-N 1 3 276.468 3.308 20 0 CGADHO COCCC1CCN([C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000530207233 288299784 /nfs/dbraw/zinc/29/97/84/288299784.db2.gz CLKVKGHYSBIIKV-WBVHZDCISA-N 1 3 282.472 3.046 20 0 CGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530209415 288299969 /nfs/dbraw/zinc/29/99/69/288299969.db2.gz HKNXEOXTJIYCNT-DNVCBOLYSA-N 1 3 286.463 3.159 20 0 CGADHO Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000423029308 281123569 /nfs/dbraw/zinc/12/35/69/281123569.db2.gz UOMCYZORHAWUOS-USXIJHARSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1CN)CCC2 ZINC000423029308 281123570 /nfs/dbraw/zinc/12/35/70/281123570.db2.gz UOMCYZORHAWUOS-USXIJHARSA-N 1 3 258.409 3.089 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358140119 281271565 /nfs/dbraw/zinc/27/15/65/281271565.db2.gz WZWPTLYLBAAQMA-VBQJREDUSA-N 1 3 258.409 3.055 20 0 CGADHO Cc1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358140119 281271567 /nfs/dbraw/zinc/27/15/67/281271567.db2.gz WZWPTLYLBAAQMA-VBQJREDUSA-N 1 3 258.409 3.055 20 0 CGADHO Clc1cccc2c1CC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532449509 288361442 /nfs/dbraw/zinc/36/14/42/288361442.db2.gz KXPVQLWJPMNCFU-SJKOYZFVSA-N 1 3 290.838 3.401 20 0 CGADHO Clc1cccc2c1CC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000532449509 288361445 /nfs/dbraw/zinc/36/14/45/288361445.db2.gz KXPVQLWJPMNCFU-SJKOYZFVSA-N 1 3 290.838 3.401 20 0 CGADHO C[C@H]([NH2+][C@@H](C)C1CCCCCC1)[C@@H]1CCCNC1 ZINC000423212908 289991785 /nfs/dbraw/zinc/99/17/85/289991785.db2.gz JEKOZINYYHWDDR-OFQRWUPVSA-N 1 3 252.446 3.323 20 0 CGADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000542149106 288735660 /nfs/dbraw/zinc/73/56/60/288735660.db2.gz XOKNWROGUHIUQT-ARFHVFGLSA-N 1 3 284.513 3.372 20 0 CGADHO CC[NH+](CC)CCCN1CC[C@H](Cc2ccccc2)C1 ZINC000549139108 289035840 /nfs/dbraw/zinc/03/58/40/289035840.db2.gz QOQPYPQJQUELOC-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000549139108 289035841 /nfs/dbraw/zinc/03/58/41/289035841.db2.gz QOQPYPQJQUELOC-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CCN(CC)CCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000549139108 289035842 /nfs/dbraw/zinc/03/58/42/289035842.db2.gz QOQPYPQJQUELOC-GOSISDBHSA-N 1 3 274.452 3.283 20 0 CGADHO CC(C)C(C[N@@H+]1CCC[C@@H](N(C)C)CC1)C(C)C ZINC000551583578 289123941 /nfs/dbraw/zinc/12/39/41/289123941.db2.gz SCTZCJYGEVXEOA-OAHLLOKOSA-N 1 3 254.462 3.331 20 0 CGADHO CC(C)C(C[N@H+]1CCC[C@@H](N(C)C)CC1)C(C)C ZINC000551583578 289123943 /nfs/dbraw/zinc/12/39/43/289123943.db2.gz SCTZCJYGEVXEOA-OAHLLOKOSA-N 1 3 254.462 3.331 20 0 CGADHO C[C@@]1(C[NH2+][C@H]2CCCC[C@H]2CN)C[C@H]1c1ccccc1 ZINC000423140457 289175000 /nfs/dbraw/zinc/17/50/00/289175000.db2.gz YLHUXQZYNAZNMV-XSLAGTTESA-N 1 3 272.436 3.287 20 0 CGADHO CC[NH+](CC)CCCN(C)[C@@H]1CCc2ccccc2C1 ZINC000554820385 289311301 /nfs/dbraw/zinc/31/13/01/289311301.db2.gz PYDYFVNKZDJHJV-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000554820385 289311302 /nfs/dbraw/zinc/31/13/02/289311302.db2.gz PYDYFVNKZDJHJV-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000554820385 289311303 /nfs/dbraw/zinc/31/13/03/289311303.db2.gz PYDYFVNKZDJHJV-GOSISDBHSA-N 1 3 274.452 3.208 20 0 CGADHO C[C@@H](C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879656 289316545 /nfs/dbraw/zinc/31/65/45/289316545.db2.gz ZDISNQOMXNYFPJ-QFBILLFUSA-N 1 3 286.463 3.454 20 0 CGADHO C[C@@H](C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1)c1ccccc1 ZINC000554879656 289316549 /nfs/dbraw/zinc/31/65/49/289316549.db2.gz ZDISNQOMXNYFPJ-QFBILLFUSA-N 1 3 286.463 3.454 20 0 CGADHO Cc1ccccc1C[C@@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000556587117 289399291 /nfs/dbraw/zinc/39/92/91/289399291.db2.gz UXYHKVHJHDQKRD-LJQANCHMSA-N 1 3 286.463 3.392 20 0 CGADHO C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000422799411 290025459 /nfs/dbraw/zinc/02/54/59/290025459.db2.gz WPGQOHSOLXXULD-ZVDSWSACSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@H]1CCCN1 ZINC000422799411 290025460 /nfs/dbraw/zinc/02/54/60/290025460.db2.gz WPGQOHSOLXXULD-ZVDSWSACSA-N 1 3 250.430 3.075 20 0 CGADHO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)[C@H]1CCCNC1 ZINC000415081357 290042037 /nfs/dbraw/zinc/04/20/37/290042037.db2.gz KJONVXXUZJXOOM-QPSCCSFWSA-N 1 3 252.446 3.179 20 0 CGADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000423396786 295306470 /nfs/dbraw/zinc/30/64/70/295306470.db2.gz SOMOXXOBSBEGBY-FMKPAKJESA-N 1 3 262.372 3.063 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000414926254 295313798 /nfs/dbraw/zinc/31/37/98/295313798.db2.gz NDFOIICMQOMILC-LTIDMASMSA-N 1 3 258.409 3.182 20 0 CGADHO Cc1cc2c(cc1C)[C@@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000335499647 301443153 /nfs/dbraw/zinc/44/31/53/301443153.db2.gz IVZRUZZRIFOFDU-KRWDZBQOSA-N 1 3 286.419 3.026 20 0 CGADHO Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCNCC[C@@H]2C)cc1 ZINC000422712773 301539037 /nfs/dbraw/zinc/53/90/37/301539037.db2.gz OREGSQMRCRZQSP-DOTOQJQBSA-N 1 3 274.452 3.250 20 0 CGADHO Fc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093488063 303130083 /nfs/dbraw/zinc/13/00/83/303130083.db2.gz UFLSDDWPKWEBRR-OKZBNKHCSA-N 1 3 290.426 3.269 20 0 CGADHO Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)cc1 ZINC000093488063 303130084 /nfs/dbraw/zinc/13/00/84/303130084.db2.gz UFLSDDWPKWEBRR-OKZBNKHCSA-N 1 3 290.426 3.269 20 0 CGADHO CC[C@@H](NCCCC[NH3+])c1cccc(Cl)c1F ZINC000423317104 529160472 /nfs/dbraw/zinc/16/04/72/529160472.db2.gz CDPNGZSOHDGDLY-GFCCVEGCSA-N 1 3 258.768 3.259 20 0 CGADHO NCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437782845 303379482 /nfs/dbraw/zinc/37/94/82/303379482.db2.gz ZJZGUTMWMHPJHT-ZIAGYGMSSA-N 1 3 286.341 3.280 20 0 CGADHO CC1(C)[C@@H](C[NH2+][C@H]2CCC[C@@H](N)C2)[C@@H]1c1ccccc1 ZINC000563425360 321997014 /nfs/dbraw/zinc/99/70/14/321997014.db2.gz OOWYCKLNWVMNAG-QZWWFDLISA-N 1 3 272.436 3.286 20 0 CGADHO C[C@H](CS[C@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000564798743 322043459 /nfs/dbraw/zinc/04/34/59/322043459.db2.gz QTLLJDUJNDXMHF-WBVHZDCISA-N 1 3 292.492 3.334 20 0 CGADHO CCc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000565226709 322068137 /nfs/dbraw/zinc/06/81/37/322068137.db2.gz MLIGKPADHPYUBN-SJORKVTESA-N 1 3 274.452 3.386 20 0 CGADHO CCc1ccc(C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000565226709 322068140 /nfs/dbraw/zinc/06/81/40/322068140.db2.gz MLIGKPADHPYUBN-SJORKVTESA-N 1 3 274.452 3.386 20 0 CGADHO N[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3)CCC2)C1 ZINC000565227066 322068199 /nfs/dbraw/zinc/06/81/99/322068199.db2.gz QTVITKUZQJBJDF-CVEARBPZSA-N 1 3 258.409 3.011 20 0 CGADHO [NH3+][C@@H]1CCC[C@H](NC2(Cc3ccccc3)CCC2)C1 ZINC000565227066 322068201 /nfs/dbraw/zinc/06/82/01/322068201.db2.gz QTVITKUZQJBJDF-CVEARBPZSA-N 1 3 258.409 3.011 20 0 CGADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc(C[NH3+])cc1 ZINC000567236004 322155441 /nfs/dbraw/zinc/15/54/41/322155441.db2.gz AODPOLXMIQPPAI-KZULUSFZSA-N 1 3 284.378 3.308 20 0 CGADHO CC1=CC[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000567375400 322160936 /nfs/dbraw/zinc/16/09/36/322160936.db2.gz BUUDDGMJEGYKKE-JKSUJKDBSA-N 1 3 250.430 3.197 20 0 CGADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(F)c1 ZINC000567894752 322181802 /nfs/dbraw/zinc/18/18/02/322181802.db2.gz RZQXUIJAYOHTAK-GFCCVEGCSA-N 1 3 258.340 3.135 20 0 CGADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000568049027 322189995 /nfs/dbraw/zinc/18/99/95/322189995.db2.gz KCDBOZKJROTNLV-ARFHVFGLSA-N 1 3 252.446 3.133 20 0 CGADHO CC[NH+]1CCC(CN[C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000568342600 322205048 /nfs/dbraw/zinc/20/50/48/322205048.db2.gz BVQCIILEIBEIEA-CQSZACIVSA-N 1 3 292.471 3.155 20 0 CGADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H](N)CC(C)C)c1 ZINC000568368460 322206246 /nfs/dbraw/zinc/20/62/46/322206246.db2.gz PXAPXHPJVVQRJM-DLBZAZTESA-N 1 3 290.451 3.076 20 0 CGADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H](N)CC(C)C)c1 ZINC000568368460 322206249 /nfs/dbraw/zinc/20/62/49/322206249.db2.gz PXAPXHPJVVQRJM-DLBZAZTESA-N 1 3 290.451 3.076 20 0 CGADHO CC[C@@H]1CCC[C@H]1[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000569712887 322255158 /nfs/dbraw/zinc/25/51/58/322255158.db2.gz HCEIJLIXRNVKID-YSMXEIBASA-N 1 3 276.468 3.308 20 0 CGADHO CC(C)C[C@@H](C)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000571482589 322299721 /nfs/dbraw/zinc/29/97/21/322299721.db2.gz DQNOSFXNAPNJNB-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO CC(C)C[C@@H](C)C[N@H+]1CCCC12CCN(C)CC2 ZINC000571482589 322299722 /nfs/dbraw/zinc/29/97/22/322299722.db2.gz DQNOSFXNAPNJNB-OAHLLOKOSA-N 1 3 252.446 3.229 20 0 CGADHO Fc1ccc(CC[NH2+]CCCN2CCCCC2)c(Cl)c1 ZINC000572688672 322350137 /nfs/dbraw/zinc/35/01/37/322350137.db2.gz XWPCEAXYBNGGRK-UHFFFAOYSA-N 1 3 298.833 3.487 20 0 CGADHO Fc1ccc(CCNCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000572688672 322350140 /nfs/dbraw/zinc/35/01/40/322350140.db2.gz XWPCEAXYBNGGRK-UHFFFAOYSA-N 1 3 298.833 3.487 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000573593179 322396138 /nfs/dbraw/zinc/39/61/38/322396138.db2.gz FHAYUWOOALYSGJ-GJZGRUSLSA-N 1 3 278.440 3.165 20 0 CGADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCNC(C)C)cc1 ZINC000573593179 322396139 /nfs/dbraw/zinc/39/61/39/322396139.db2.gz FHAYUWOOALYSGJ-GJZGRUSLSA-N 1 3 278.440 3.165 20 0 CGADHO Cc1c([C@H](C)NCc2ccc(C[NH3+])cc2)cnn1C(C)C ZINC000573967549 322415887 /nfs/dbraw/zinc/41/58/87/322415887.db2.gz WIARUHDGKIKLBW-ZDUSSCGKSA-N 1 3 286.423 3.082 20 0 CGADHO CSCC1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000385400628 328394045 /nfs/dbraw/zinc/39/40/45/328394045.db2.gz BODIDZGJDWCQCL-QQFBHYJXSA-N 1 3 284.513 3.230 20 0 CGADHO COCC1(CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000583440276 327365878 /nfs/dbraw/zinc/36/58/78/327365878.db2.gz VXTAOPHURKBWQX-UHFFFAOYSA-N 1 3 294.483 3.190 20 0 CGADHO C[NH+](C)C[C@H]1CCN(CCCC2CCCCC2)C1 ZINC000582513947 329099304 /nfs/dbraw/zinc/09/93/04/329099304.db2.gz TWWYOBFKAWKPOE-MRXNPFEDSA-N 1 3 252.446 3.230 20 0 CGADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000582861622 329278042 /nfs/dbraw/zinc/27/80/42/329278042.db2.gz PFQQFDUQKZRKNV-HRCADAONSA-N 1 3 252.446 3.131 20 0 CGADHO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000578053753 335472861 /nfs/dbraw/zinc/47/28/61/335472861.db2.gz YTGIUSQXXQAOSQ-QMCVQRASSA-N 1 3 264.457 3.441 20 0 CGADHO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CCCNC1 ZINC000578518470 335644038 /nfs/dbraw/zinc/64/40/38/335644038.db2.gz FSTVIDFAKYAQPF-RANZSIQMSA-N 1 3 272.436 3.158 20 0 CGADHO CC(C)[NH2+]CCCN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581997089 336187364 /nfs/dbraw/zinc/18/73/64/336187364.db2.gz SWOZQUJJOJLUJO-IRXDYDNUSA-N 1 3 278.415 3.440 20 0 CGADHO CC(C)NCCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000581997089 336187365 /nfs/dbraw/zinc/18/73/65/336187365.db2.gz SWOZQUJJOJLUJO-IRXDYDNUSA-N 1 3 278.415 3.440 20 0 CGADHO C[C@@H](C[NH3+])CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000423312761 533771057 /nfs/dbraw/zinc/77/10/57/533771057.db2.gz VOIFXHQTDWFQLI-XHDPSFHLSA-N 1 3 266.816 3.366 20 0 CGADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc2occc2c1 ZINC000334749405 533900613 /nfs/dbraw/zinc/90/06/13/533900613.db2.gz JXLQFQCXGGZNRU-XJKSGUPXSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc2occc2c1 ZINC000334749405 533900620 /nfs/dbraw/zinc/90/06/20/533900620.db2.gz JXLQFQCXGGZNRU-XJKSGUPXSA-N 1 3 272.392 3.205 20 0 CGADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(F)c1 ZINC000423353449 533924306 /nfs/dbraw/zinc/92/43/06/533924306.db2.gz DGUFWSUYQLIXET-LBPRGKRZSA-N 1 3 270.351 3.280 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)CCN1 ZINC000423365795 533966908 /nfs/dbraw/zinc/96/69/08/533966908.db2.gz BVXSKTQRHQHNDG-LYRGGWFBSA-N 1 3 262.372 3.007 20 0 CGADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423407084 534006517 /nfs/dbraw/zinc/00/65/17/534006517.db2.gz VHTSIMXNMXZBIN-SJHCENCUSA-N 1 3 298.883 3.481 20 0 CGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423398291 534086877 /nfs/dbraw/zinc/08/68/77/534086877.db2.gz UHULRCPUVSUERJ-YJYMSZOUSA-N 1 3 278.399 3.313 20 0 CGADHO C[C@@H](Cc1ccoc1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000449218601 534258515 /nfs/dbraw/zinc/25/85/15/534258515.db2.gz JYGKTJOKQSUOCC-LBPRGKRZSA-N 1 3 264.413 3.109 20 0 CGADHO C[C@@H](Cc1ccoc1)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000449218601 534258519 /nfs/dbraw/zinc/25/85/19/534258519.db2.gz JYGKTJOKQSUOCC-LBPRGKRZSA-N 1 3 264.413 3.109 20 0 CGADHO [NH3+]C1CCC(NCc2csc(-c3ccccc3)n2)CC1 ZINC000437769678 534561734 /nfs/dbraw/zinc/56/17/34/534561734.db2.gz FKNUSLLRQHFPIG-UHFFFAOYSA-N 1 3 287.432 3.170 20 0 CGADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(OC)cc1 ZINC000037643972 522866897 /nfs/dbraw/zinc/86/68/97/522866897.db2.gz XENQXFNQEPKKMO-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643972 522866901 /nfs/dbraw/zinc/86/69/01/522866901.db2.gz XENQXFNQEPKKMO-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CC[C@@H](NC[C@H]1CC[N@@H+](CC)C1)c1ccc(OC)cc1 ZINC000037643972 522866913 /nfs/dbraw/zinc/86/69/13/522866913.db2.gz XENQXFNQEPKKMO-RHSMWYFYSA-N 1 3 276.424 3.078 20 0 CGADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000051919477 522932474 /nfs/dbraw/zinc/93/24/74/522932474.db2.gz BKYKTYQOAVEASN-NSHDSACASA-N 1 3 272.845 3.223 20 0 CGADHO Cc1cccc(C[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C2CC2)c1 ZINC000423397722 534727436 /nfs/dbraw/zinc/72/74/36/534727436.db2.gz UWBANLIOUDXREU-JLSDUUJJSA-N 1 3 272.436 3.046 20 0 CGADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cc(F)cc(F)c1 ZINC000094826950 525483835 /nfs/dbraw/zinc/48/38/35/525483835.db2.gz AHJLSZITUQMVTN-NEPJUHHUSA-N 1 3 280.362 3.100 20 0 CGADHO C(C[NH2+][C@H]1CC[C@@H]1C1CC1)NC1CCCCCC1 ZINC000423275577 527483652 /nfs/dbraw/zinc/48/36/52/527483652.db2.gz LUNRVIUECZPQRH-CVEARBPZSA-N 1 3 250.430 3.077 20 0 CGADHO CC(C)CC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCC1 ZINC000422872158 527695054 /nfs/dbraw/zinc/69/50/54/527695054.db2.gz FYOTXOHHRIHDCU-LSDHHAIUSA-N 1 3 252.446 3.181 20 0 CGADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2coc3ccccc23)C1 ZINC000449089880 527744051 /nfs/dbraw/zinc/74/40/51/527744051.db2.gz LPNFQSRINGDNPX-CABCVRRESA-N 1 3 286.419 3.295 20 0 CGADHO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423286820 527783083 /nfs/dbraw/zinc/78/30/83/527783083.db2.gz IZGVVDGPSPWOBQ-CQSZACIVSA-N 1 3 278.440 3.499 20 0 CGADHO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)C12CCC2 ZINC000357863673 528096888 /nfs/dbraw/zinc/09/68/88/528096888.db2.gz ZSBDVSBLACVCHD-CVEARBPZSA-N 1 3 294.483 3.046 20 0 CGADHO CCO[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C12CCC2 ZINC000357863673 528096892 /nfs/dbraw/zinc/09/68/92/528096892.db2.gz ZSBDVSBLACVCHD-CVEARBPZSA-N 1 3 294.483 3.046 20 0 CGADHO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423440942 528164449 /nfs/dbraw/zinc/16/44/49/528164449.db2.gz ITKLMOTYLZWYKR-RDBSUJKOSA-N 1 3 264.413 3.108 20 0 CGADHO CC(C)[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(F)c(F)c1 ZINC000425933524 528588982 /nfs/dbraw/zinc/58/89/82/528588982.db2.gz VAXYEWAXEZUWBZ-MLGOLLRUSA-N 1 3 284.394 3.449 20 0 CGADHO CCOc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1OCC ZINC000423338137 528592812 /nfs/dbraw/zinc/59/28/12/528592812.db2.gz VRNCELGLOYURLN-CYBMUJFWSA-N 1 3 292.423 3.016 20 0 CGADHO CCCCOc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423332039 528688850 /nfs/dbraw/zinc/68/88/50/528688850.db2.gz QMUJODMFYMYQTE-CQSZACIVSA-N 1 3 276.424 3.398 20 0 CGADHO CCC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccc(OC)cc1 ZINC000423270625 529010882 /nfs/dbraw/zinc/01/08/82/529010882.db2.gz IEXDLFLKKOEYDR-JKSUJKDBSA-N 1 3 264.413 3.109 20 0 CGADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423273691 529071076 /nfs/dbraw/zinc/07/10/76/529071076.db2.gz KVLMUBRGXCSKJJ-ZIAGYGMSSA-N 1 3 297.240 3.009 20 0 CGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000437762023 529085273 /nfs/dbraw/zinc/08/52/73/529085273.db2.gz JJDYZSFERUPCQK-QGZVFWFLSA-N 1 3 297.446 3.365 20 0 CGADHO CC(C)[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(F)c(F)c1 ZINC000425933525 529122042 /nfs/dbraw/zinc/12/20/42/529122042.db2.gz VAXYEWAXEZUWBZ-WBMJQRKESA-N 1 3 284.394 3.449 20 0 CGADHO CC[C@@H]([NH2+]CC(C)(C)N)c1cccc(Br)c1 ZINC000423288835 529155361 /nfs/dbraw/zinc/15/53/61/529155361.db2.gz VHZBPRZIIRHMDK-GFCCVEGCSA-N 1 3 285.229 3.227 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000423472836 529246655 /nfs/dbraw/zinc/24/66/55/529246655.db2.gz QJOSUJPVKVUVJM-DGCLKSJQSA-N 1 3 252.427 3.187 20 0 CGADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000423472844 529246955 /nfs/dbraw/zinc/24/69/55/529246955.db2.gz QJOSUJPVKVUVJM-YPMHNXCESA-N 1 3 252.427 3.187 20 0 CGADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CCCCC[C@H]2N)C1 ZINC000422904564 535819815 /nfs/dbraw/zinc/81/98/15/535819815.db2.gz GYIAKBVZBJMRQN-ZACQAIPSSA-N 1 3 295.515 3.137 20 0 CGADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccccc1OC ZINC000037644437 535912684 /nfs/dbraw/zinc/91/26/84/535912684.db2.gz KTSHPIOPLUFBKO-ZBFHGGJFSA-N 1 3 276.424 3.078 20 0 CGADHO CO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000513332296 536827496 /nfs/dbraw/zinc/82/74/96/536827496.db2.gz ZFSVEKYVZDMAMF-IRXDYDNUSA-N 1 3 294.483 3.187 20 0 CGADHO CO[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000513332296 536827501 /nfs/dbraw/zinc/82/75/01/536827501.db2.gz ZFSVEKYVZDMAMF-IRXDYDNUSA-N 1 3 294.483 3.187 20 0 CGADHO COc1ccc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000093495841 536839182 /nfs/dbraw/zinc/83/91/82/536839182.db2.gz RZFCBDSJDGTRAP-RDJZCZTQSA-N 1 3 290.451 3.138 20 0 CGADHO CC(C)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000222934452 571890151 /nfs/dbraw/zinc/89/01/51/571890151.db2.gz ICPAEXBZNMHAPM-PMPSAXMXSA-N 1 3 264.388 3.382 20 0 CGADHO C[C@H](NCc1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC000396454721 572485432 /nfs/dbraw/zinc/48/54/32/572485432.db2.gz XREIDFZKYDSOHN-NSHDSACASA-N 1 3 284.806 3.299 20 0 CGADHO Cc1nc([C@H]2CCCN2CCCCCC[NH3+])cs1 ZINC000846220747 618079096 /nfs/dbraw/zinc/07/90/96/618079096.db2.gz PBIPHCJOLIPJTA-CQSZACIVSA-N 1 3 267.442 3.108 20 0 CGADHO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1C ZINC000933485510 618237182 /nfs/dbraw/zinc/23/71/82/618237182.db2.gz GJYUIZCRICTYOG-GDBMZVCRSA-N 1 3 276.424 3.139 20 0 CGADHO CN(C)CC(C)(C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924527967 618776768 /nfs/dbraw/zinc/77/67/68/618776768.db2.gz XURLJLMRRCQDMD-INIZCTEOSA-N 1 3 275.440 3.100 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1cn(C(C)C)nn1 ZINC000924529557 618782380 /nfs/dbraw/zinc/78/23/80/618782380.db2.gz VRCMCQCGFYHEHD-HUUCEWRRSA-N 1 3 295.475 3.020 20 0 CGADHO c1csc(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)c1 ZINC000925509638 619004181 /nfs/dbraw/zinc/00/41/81/619004181.db2.gz NJDCALQYBSJAGP-CVEARBPZSA-N 1 3 278.465 3.049 20 0 CGADHO CC1(C)[C@H](NC2CC(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925606835 619083486 /nfs/dbraw/zinc/08/34/86/619083486.db2.gz YGUGZRJMHVZASB-KWXGJIJISA-N 1 3 284.447 3.299 20 0 CGADHO CC1(C)[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925606835 619083488 /nfs/dbraw/zinc/08/34/88/619083488.db2.gz YGUGZRJMHVZASB-KWXGJIJISA-N 1 3 284.447 3.299 20 0 CGADHO CSCC1(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925707077 619155515 /nfs/dbraw/zinc/15/55/15/619155515.db2.gz OLVRAJGMLLAHJB-JKSUJKDBSA-N 1 3 296.524 3.278 20 0 CGADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1CCCC12CC2 ZINC000925720205 619165101 /nfs/dbraw/zinc/16/51/01/619165101.db2.gz WKLJLMUHRRHSQI-IXDOHACOSA-N 1 3 276.468 3.325 20 0 CGADHO CC1(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC(F)(F)C1 ZINC000925733848 619208424 /nfs/dbraw/zinc/20/84/24/619208424.db2.gz LOHIOBHNQBUAFW-UONOGXRCSA-N 1 3 286.410 3.180 20 0 CGADHO CC(F)(F)C(C)(C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925736180 619210558 /nfs/dbraw/zinc/21/05/58/619210558.db2.gz ZQWQWAJZIZCRCE-KBPBESRZSA-N 1 3 288.426 3.426 20 0 CGADHO CC[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(F)c1 ZINC000925775332 619238136 /nfs/dbraw/zinc/23/81/36/619238136.db2.gz FTXMVISAZSIYEO-GXTWGEPZSA-N 1 3 286.341 3.111 20 0 CGADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc2c(c1)CCC2 ZINC000925776982 619239867 /nfs/dbraw/zinc/23/98/67/619239867.db2.gz BMGBDTHRYPYMFL-LRDDRELGSA-N 1 3 294.389 3.071 20 0 CGADHO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925781740 619243486 /nfs/dbraw/zinc/24/34/86/619243486.db2.gz JOZUIKLMAYFTRM-DZGCQCFKSA-N 1 3 282.378 3.199 20 0 CGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000925803091 619255326 /nfs/dbraw/zinc/25/53/26/619255326.db2.gz VLLPACPWEKOYPE-QEORTHHSSA-N 1 3 273.424 3.080 20 0 CGADHO [NH3+][C@@H]1C[C@H](NCC2(c3cccc(F)c3)CCC2)C12CCC2 ZINC000925830270 619282967 /nfs/dbraw/zinc/28/29/67/619282967.db2.gz GOPVOPCACALTQT-CVEARBPZSA-N 1 3 288.410 3.107 20 0 CGADHO Cc1ccc(CCNC2CC([NH+]3CCCCC3)C2)cc1C ZINC000894170961 619404026 /nfs/dbraw/zinc/40/40/26/619404026.db2.gz BSAFTECGGMYTAB-UHFFFAOYSA-N 1 3 286.463 3.452 20 0 CGADHO C[C@@H](CCc1cncc2ccccc21)[NH2+]CC[C@H](C)N(C)C ZINC000895290296 619797064 /nfs/dbraw/zinc/79/70/64/619797064.db2.gz GJGFIJQOAJOMII-HOTGVXAUSA-N 1 3 299.462 3.486 20 0 CGADHO C[C@@H](CCc1ccccc1F)[NH2+]CC[C@H](C)N(C)C ZINC000895293982 619797634 /nfs/dbraw/zinc/79/76/34/619797634.db2.gz MTERDTMRQUWROS-KBPBESRZSA-N 1 3 266.404 3.077 20 0 CGADHO C[C@@H](CC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)N(C)C ZINC000895293314 619798094 /nfs/dbraw/zinc/79/80/94/619798094.db2.gz ZDXASXQTDHJCCB-USXIJHARSA-N 1 3 260.425 3.110 20 0 CGADHO CC(C)O[C@H](C[NH2+]CC[C@H](C)N(C)C)c1ccccc1 ZINC000895293469 619798349 /nfs/dbraw/zinc/79/83/49/619798349.db2.gz MIBPPTSBKSCJJN-DOTOQJQBSA-N 1 3 278.440 3.083 20 0 CGADHO CC1(C)C[NH2+]CC[C@H](NCCOc2ccccc2Cl)C1 ZINC000902361866 621290955 /nfs/dbraw/zinc/29/09/55/621290955.db2.gz MVQZQWLFJOSYIB-ZDUSSCGKSA-N 1 3 296.842 3.087 20 0 CGADHO CC(C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000902432191 621315981 /nfs/dbraw/zinc/31/59/81/621315981.db2.gz OGXHQRBTNSUBCZ-HZPDHXFCSA-N 1 3 264.457 3.181 20 0 CGADHO CC[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccccc1 ZINC000902443751 621321436 /nfs/dbraw/zinc/32/14/36/621321436.db2.gz MAQNTLBZPHMHAM-KZNAEPCWSA-N 1 3 266.388 3.352 20 0 CGADHO NC1(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000902413328 621322388 /nfs/dbraw/zinc/32/23/88/621322388.db2.gz KJFLRKSLHMFGEF-OAHLLOKOSA-N 1 3 262.372 3.138 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC000902761642 621430296 /nfs/dbraw/zinc/43/02/96/621430296.db2.gz VTYJBMCAIZKBPQ-SJLPKXTDSA-N 1 3 296.499 3.149 20 0 CGADHO C[NH+](C)CC[C@H](NC1CCCCCC1)c1cccnc1 ZINC000903384102 621724537 /nfs/dbraw/zinc/72/45/37/621724537.db2.gz PVWQPFDLKNBXSW-KRWDZBQOSA-N 1 3 275.440 3.387 20 0 CGADHO COc1ccc([C@@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903718589 621795990 /nfs/dbraw/zinc/79/59/90/621795990.db2.gz PFTJHPKMNLWVAF-QAPCUYQASA-N 1 3 288.435 3.222 20 0 CGADHO COc1ccc([C@@H]2CCCN2C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904301244 621901801 /nfs/dbraw/zinc/90/18/01/621901801.db2.gz JFFNYWOSEATOJW-ZWKOTPCHSA-N 1 3 288.435 3.222 20 0 CGADHO CCN(CCc1cccs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309342 621903202 /nfs/dbraw/zinc/90/32/02/621903202.db2.gz IEOALCVRXZRKAD-HNNXBMFYSA-N 1 3 266.454 3.002 20 0 CGADHO COc1ccccc1[C@H](NC1CC(C[NH3+])C1)c1ccccc1 ZINC000904360872 621911853 /nfs/dbraw/zinc/91/18/53/621911853.db2.gz QZCSUXSTJXQXOJ-GSQSYGFSSA-N 1 3 296.414 3.112 20 0 CGADHO [NH3+]C1CC(NCCCc2c(Cl)cccc2Cl)C1 ZINC000906511499 622241372 /nfs/dbraw/zinc/24/13/72/622241372.db2.gz XVVAMDGHUBIJQG-UHFFFAOYSA-N 1 3 273.207 3.005 20 0 CGADHO NC1CC([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000906511499 622241374 /nfs/dbraw/zinc/24/13/74/622241374.db2.gz XVVAMDGHUBIJQG-UHFFFAOYSA-N 1 3 273.207 3.005 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2ccc(F)cc2F)CC1 ZINC000922848521 626058218 /nfs/dbraw/zinc/05/82/18/626058218.db2.gz VPVYQOKXOICWLQ-UHFFFAOYSA-N 1 3 294.389 3.461 20 0 CGADHO CC1([NH+]2CCC2)CCC(NCc2cccnc2Cl)CC1 ZINC000922848345 626058368 /nfs/dbraw/zinc/05/83/68/626058368.db2.gz RTXRSHDRGJGZRP-UHFFFAOYSA-N 1 3 293.842 3.232 20 0 CGADHO CC(C)Oc1ccc(CN2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000923481347 626157214 /nfs/dbraw/zinc/15/72/14/626157214.db2.gz QOGBGBKBEGVITA-CYBMUJFWSA-N 1 3 296.842 3.298 20 0 CGADHO C[C@H](c1ccc(F)c(Cl)c1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495386 626157975 /nfs/dbraw/zinc/15/79/75/626157975.db2.gz BNRBTSWKRYXKNG-WZRBSPASSA-N 1 3 284.806 3.457 20 0 CGADHO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502310 626158413 /nfs/dbraw/zinc/15/84/13/626158413.db2.gz WIVYFMPJUPAWAJ-FMKPAKJESA-N 1 3 299.418 3.319 20 0 CGADHO C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1C[NH3+] ZINC000923494055 626158475 /nfs/dbraw/zinc/15/84/75/626158475.db2.gz VMHPAQFRFOWWTR-YPMHNXCESA-N 1 3 286.341 3.122 20 0 CGADHO CCCN1CCC([N@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC000768919801 627509238 /nfs/dbraw/zinc/50/92/38/627509238.db2.gz GPIQSVKGYBRJBK-UHFFFAOYSA-N 1 3 288.435 3.023 20 0 CGADHO CCCN1CCC([N@@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC000768919801 627509240 /nfs/dbraw/zinc/50/92/40/627509240.db2.gz GPIQSVKGYBRJBK-UHFFFAOYSA-N 1 3 288.435 3.023 20 0 CGADHO CCc1noc(C)c1[C@@H](C)NCCC1CC[NH+](CC)CC1 ZINC000769871085 627585150 /nfs/dbraw/zinc/58/51/50/627585150.db2.gz CIDNYEFVWKLLRB-CYBMUJFWSA-N 1 3 293.455 3.318 20 0 CGADHO CC(C)C[C@@H](N)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863654308 629633521 /nfs/dbraw/zinc/63/35/21/629633521.db2.gz WHQJOROFHVCJGD-HIFRSBDPSA-N 1 3 266.816 3.290 20 0 CGADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817905266 632232911 /nfs/dbraw/zinc/23/29/11/632232911.db2.gz LQUXOEBIOSHVBZ-CEXWTWQISA-N 1 3 298.430 3.123 20 0 CGADHO COc1cccc([C@H](C)NCc2ccc(CC[NH3+])cc2)c1 ZINC000817948059 632244836 /nfs/dbraw/zinc/24/48/36/632244836.db2.gz TXVGAHNYCATFCH-AWEZNQCLSA-N 1 3 284.403 3.047 20 0 CGADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000817979924 632270781 /nfs/dbraw/zinc/27/07/81/632270781.db2.gz QDJNARIWIJFYGW-GXSJLCMTSA-N 1 3 274.380 3.389 20 0 CGADHO COc1c(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000824989023 633315986 /nfs/dbraw/zinc/31/59/86/633315986.db2.gz XWHVWCMKRIDPAV-ALOPSCKCSA-N 1 3 288.435 3.027 20 0 CGADHO CC(C)(C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)CN1CCCC1 ZINC000872066833 633989593 /nfs/dbraw/zinc/98/95/93/633989593.db2.gz RSKPQGYQTMEXHA-HOTGVXAUSA-N 1 3 296.499 3.292 20 0 CGADHO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc([O-])c1F ZINC000872072519 633994142 /nfs/dbraw/zinc/99/41/42/633994142.db2.gz HMGAGUHPQZBQGW-AWEZNQCLSA-N 1 3 294.414 3.448 20 0 CGADHO c1c(C[N@@H+](CC2CC2)C2CCC2)sc2c1CNCC2 ZINC000873208955 634286739 /nfs/dbraw/zinc/28/67/39/634286739.db2.gz ZDRRJDIRSSJFPL-UHFFFAOYSA-N 1 3 276.449 3.158 20 0 CGADHO c1c(C[N@H+](CC2CC2)C2CCC2)sc2c1CNCC2 ZINC000873208955 634286741 /nfs/dbraw/zinc/28/67/41/634286741.db2.gz ZDRRJDIRSSJFPL-UHFFFAOYSA-N 1 3 276.449 3.158 20 0 CGADHO CC(C)c1ncc(CN(C)CCCCCC[NH3+])s1 ZINC000873231588 634294677 /nfs/dbraw/zinc/29/46/77/634294677.db2.gz QGUSPYHZUZFBIJ-UHFFFAOYSA-N 1 3 269.458 3.217 20 0 CGADHO CC(C)c1nc([C@H](C)N[C@H](C)C2CC[NH2+]CC2)cs1 ZINC000873268276 634311802 /nfs/dbraw/zinc/31/18/02/634311802.db2.gz BMZBMNGLQVNJDB-NEPJUHHUSA-N 1 3 281.469 3.305 20 0 CGADHO CSC(C)(C)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876811977 634905133 /nfs/dbraw/zinc/90/51/33/634905133.db2.gz PCBHYHVYZHLCHJ-GOEBONIOSA-N 1 3 296.524 3.467 20 0 CGADHO CSC(C)(C)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876811977 634905139 /nfs/dbraw/zinc/90/51/39/634905139.db2.gz PCBHYHVYZHLCHJ-GOEBONIOSA-N 1 3 296.524 3.467 20 0 CGADHO CN(CCCCCCC[NH3+])Cc1ccc(F)cc1F ZINC000842471461 635375581 /nfs/dbraw/zinc/37/55/81/635375581.db2.gz CFXYXKPZGAHVNR-UHFFFAOYSA-N 1 3 270.367 3.306 20 0 CGADHO CCN(C)C[C@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878166931 635391558 /nfs/dbraw/zinc/39/15/58/635391558.db2.gz KCFSVWVFZGXKLP-CQSZACIVSA-N 1 3 272.502 3.182 20 0 CGADHO CCN(C)C[C@H]1CC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878166931 635391563 /nfs/dbraw/zinc/39/15/63/635391563.db2.gz KCFSVWVFZGXKLP-CQSZACIVSA-N 1 3 272.502 3.182 20 0 CGADHO CC[NH+](CC)CCC[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882878196 636443485 /nfs/dbraw/zinc/44/34/85/636443485.db2.gz UCTZOMXTDMHDTI-AWEZNQCLSA-N 1 3 280.460 3.133 20 0 CGADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886731075 637675890 /nfs/dbraw/zinc/67/58/90/637675890.db2.gz UKHAWYBLTSBLEH-MRXNPFEDSA-N 1 3 294.483 3.188 20 0 CGADHO COC1CCC(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000925226603 638480484 /nfs/dbraw/zinc/48/04/84/638480484.db2.gz HSGVOHVFLYQSLP-UHFFFAOYSA-N 1 3 296.499 3.292 20 0 CGADHO CCO[C@H](CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C(C)C ZINC000925525145 638518594 /nfs/dbraw/zinc/51/85/94/638518594.db2.gz AIGDIXPZTKIPGE-OKZBNKHCSA-N 1 3 296.499 3.196 20 0 CGADHO C(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)COC1CCCC1 ZINC000925533217 638521481 /nfs/dbraw/zinc/52/14/81/638521481.db2.gz YZLLCJFYJOAEGM-MSOLQXFVSA-N 1 3 294.483 3.094 20 0 CGADHO CCC1(CC)[C@H](OC)[C@H](C)[C@H]1N1CCC([NH3+])(CC)CC1 ZINC000925755573 638598507 /nfs/dbraw/zinc/59/85/07/638598507.db2.gz GINPBPMAHWPJGL-RBSFLKMASA-N 1 3 282.472 3.029 20 0 CGADHO CC(C)C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925791206 638614511 /nfs/dbraw/zinc/61/45/11/638614511.db2.gz PDALXSKSYZKMDF-PVAVHDDUSA-N 1 3 260.425 3.219 20 0 CGADHO COc1ccc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000925833850 638627341 /nfs/dbraw/zinc/62/73/41/638627341.db2.gz KWDKHLDSLORJDQ-CRAIPNDOSA-N 1 3 298.430 3.108 20 0 CGADHO CN1C[C@@]2(C)C[NH+](CCc3ccccc3Cl)C[C@]2(C)C1 ZINC000931305337 639132564 /nfs/dbraw/zinc/13/25/64/639132564.db2.gz DHTIKNGGONJEQY-IRXDYDNUSA-N 1 3 292.854 3.156 20 0 CGADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCCO)C1 ZINC000246771810 640692819 /nfs/dbraw/zinc/69/28/19/640692819.db2.gz YWBBWQSXGMDZLV-MSOLQXFVSA-N 1 3 296.499 3.126 20 0 CGADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCCO)C1 ZINC000246771810 640692828 /nfs/dbraw/zinc/69/28/28/640692828.db2.gz YWBBWQSXGMDZLV-MSOLQXFVSA-N 1 3 296.499 3.126 20 0 CGADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)s1 ZINC000251544795 640828105 /nfs/dbraw/zinc/82/81/05/640828105.db2.gz PIEROYBWDCTATD-LPEHRKFASA-N 1 3 258.818 3.180 20 0 CGADHO Cc1cc2[nH]ccc2c(N2CC[NH2+]C[C@H]2c2cccs2)n1 ZINC001156097303 805652460 /nfs/dbraw/zinc/65/24/60/805652460.db2.gz HICUMRZVFISOOC-AWEZNQCLSA-N 1 3 298.415 3.084 20 0 CGADHO Cc1cc([C@@H]2CCC[N@H+]2C2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001255674382 806702066 /nfs/dbraw/zinc/70/20/66/806702066.db2.gz RXCLJDANVKWGGD-MYSGWJLTSA-N 1 3 289.423 3.135 20 0 CGADHO Cc1cc([C@@H]2CCC[N@@H+]2C2C[C@H]3CCC[C@@H](C2)N3C)no1 ZINC001255674382 806702070 /nfs/dbraw/zinc/70/20/70/806702070.db2.gz RXCLJDANVKWGGD-MYSGWJLTSA-N 1 3 289.423 3.135 20 0 CGADHO Cc1cccc(CN(C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001255674134 806702980 /nfs/dbraw/zinc/70/29/80/806702980.db2.gz LKKUSWKXVWEMQJ-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO Cc1cccc(CN(C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001255674134 806702982 /nfs/dbraw/zinc/70/29/82/806702982.db2.gz LKKUSWKXVWEMQJ-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1ccc(C2CC2)cc1 ZINC000094522179 798968911 /nfs/dbraw/zinc/96/89/11/798968911.db2.gz BPPDTQUSRFVMSC-HIFRSBDPSA-N 1 3 258.409 3.123 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798258 806758018 /nfs/dbraw/zinc/75/80/18/806758018.db2.gz YVOJLYAIFWPRFO-QRQLOZEOSA-N 1 3 286.463 3.200 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255798258 806758021 /nfs/dbraw/zinc/75/80/21/806758021.db2.gz YVOJLYAIFWPRFO-QRQLOZEOSA-N 1 3 286.463 3.200 20 0 CGADHO CCC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798258 806758023 /nfs/dbraw/zinc/75/80/23/806758023.db2.gz YVOJLYAIFWPRFO-QRQLOZEOSA-N 1 3 286.463 3.200 20 0 CGADHO CCC[N@@H+]1C[C@H]2CN([C@H](C)Cc3ccc(C)cc3)C[C@H]2C1 ZINC001255798258 806758026 /nfs/dbraw/zinc/75/80/26/806758026.db2.gz YVOJLYAIFWPRFO-QRQLOZEOSA-N 1 3 286.463 3.200 20 0 CGADHO CC(C)c1ccc(CCN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000490065055 799654532 /nfs/dbraw/zinc/65/45/32/799654532.db2.gz DMJDVKNCQCNAJM-LJQANCHMSA-N 1 3 286.463 3.428 20 0 CGADHO C[C@H]1CCCCC[N@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962938 799742383 /nfs/dbraw/zinc/74/23/83/799742383.db2.gz PQRFGHNVFLIMIT-LBPRGKRZSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@H]1CCCCC[N@@H+]1Cc1cc2c(s1)CCNC2 ZINC000687962938 799742379 /nfs/dbraw/zinc/74/23/79/799742379.db2.gz PQRFGHNVFLIMIT-LBPRGKRZSA-N 1 3 264.438 3.158 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)[C@@H]1C ZINC000687969389 799742975 /nfs/dbraw/zinc/74/29/75/799742975.db2.gz SSKAPWNLIMAMBJ-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)[C@@H]1C ZINC000687969389 799742979 /nfs/dbraw/zinc/74/29/79/799742979.db2.gz SSKAPWNLIMAMBJ-VXGBXAGGSA-N 1 3 264.438 3.014 20 0 CGADHO C[C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC000687964332 799743513 /nfs/dbraw/zinc/74/35/13/799743513.db2.gz XMWWSQDVLVHCRA-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)CC1 ZINC000687964332 799743517 /nfs/dbraw/zinc/74/35/17/799743517.db2.gz XMWWSQDVLVHCRA-GFCCVEGCSA-N 1 3 264.438 3.016 20 0 CGADHO [NH3+][C@H](CC(F)F)CN1CCC[C@@H]1C1CCCCC1 ZINC000688809907 799756743 /nfs/dbraw/zinc/75/67/43/799756743.db2.gz SLSKZGIHBBYGCZ-CHWSQXEVSA-N 1 3 260.372 3.014 20 0 CGADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000695701183 799832631 /nfs/dbraw/zinc/83/26/31/799832631.db2.gz SBJKYLGZXSSXJH-CABCVRRESA-N 1 3 250.430 3.064 20 0 CGADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)N(C)C ZINC000697889870 799849653 /nfs/dbraw/zinc/84/96/53/799849653.db2.gz NCEGXJBQCHMNAP-IJLUTSLNSA-N 1 3 266.351 3.037 20 0 CGADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000700827420 799882206 /nfs/dbraw/zinc/88/22/06/799882206.db2.gz WFDXMXAVEPDDRC-OAGGEKHMSA-N 1 3 252.446 3.277 20 0 CGADHO c1cc(C[N@@H+]2CCC23CCCCC3)cc2c1CNC2 ZINC000707188832 799974749 /nfs/dbraw/zinc/97/47/49/799974749.db2.gz IINQXGOVCMYLIV-UHFFFAOYSA-N 1 3 256.393 3.198 20 0 CGADHO c1cc(C[N@H+]2CCC23CCCCC3)cc2c1CNC2 ZINC000707188832 799974756 /nfs/dbraw/zinc/97/47/56/799974756.db2.gz IINQXGOVCMYLIV-UHFFFAOYSA-N 1 3 256.393 3.198 20 0 CGADHO CCCC[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000708544229 799992506 /nfs/dbraw/zinc/99/25/06/799992506.db2.gz PINGJNNTRNPLIL-WBVHZDCISA-N 1 3 260.425 3.144 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001255951292 806794937 /nfs/dbraw/zinc/79/49/37/806794937.db2.gz PQMFETQBCSVWNL-CABCVRRESA-N 1 3 278.440 3.033 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001255951237 806795066 /nfs/dbraw/zinc/79/50/66/806795066.db2.gz OMBGDCPMFLBJRP-LBPRGKRZSA-N 1 3 274.399 3.274 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709871991 800021828 /nfs/dbraw/zinc/02/18/28/800021828.db2.gz VVCNFWYUUTUODA-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709871991 800021833 /nfs/dbraw/zinc/02/18/33/800021833.db2.gz VVCNFWYUUTUODA-ROUUACIJSA-N 1 3 272.436 3.083 20 0 CGADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C)CC2)C1 ZINC000710324821 800032769 /nfs/dbraw/zinc/03/27/69/800032769.db2.gz IZADTFJFVNAJSS-BZUAXINKSA-N 1 3 252.446 3.277 20 0 CGADHO CCN(CC)CC[C@@H](C)[NH2+]Cc1cccc2cnccc21 ZINC001255954772 806798728 /nfs/dbraw/zinc/79/87/28/806798728.db2.gz ZUORAMOGMJLUJR-OAHLLOKOSA-N 1 3 285.435 3.445 20 0 CGADHO CCN(CC)CC[C@H](C)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001255958088 806799535 /nfs/dbraw/zinc/79/95/35/806799535.db2.gz YNGBCYLXPSQVHZ-ARFHVFGLSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001255958091 806799589 /nfs/dbraw/zinc/79/95/89/806799589.db2.gz YNGBCYLXPSQVHZ-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001255958091 806799593 /nfs/dbraw/zinc/79/95/93/806799593.db2.gz YNGBCYLXPSQVHZ-OAGGEKHMSA-N 1 3 252.446 3.229 20 0 CGADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC001255964398 806803230 /nfs/dbraw/zinc/80/32/30/806803230.db2.gz RWEMCXGGXXIFBX-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO CCN(CC)CC[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC001255964398 806803238 /nfs/dbraw/zinc/80/32/38/806803238.db2.gz RWEMCXGGXXIFBX-HNNXBMFYSA-N 1 3 252.446 3.373 20 0 CGADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)CCN1 ZINC000714272155 800118272 /nfs/dbraw/zinc/11/82/72/800118272.db2.gz GNUQZFXTXUICDN-DGXTUMSLSA-N 1 3 250.430 3.075 20 0 CGADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000715255020 800132850 /nfs/dbraw/zinc/13/28/50/800132850.db2.gz JDGKTFJFZXBWJO-LXTVHRRPSA-N 1 3 270.486 3.123 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000715558523 800139007 /nfs/dbraw/zinc/13/90/07/800139007.db2.gz OOAUHKRULXFMHZ-CHWSQXEVSA-N 1 3 260.372 3.027 20 0 CGADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716265776 800166355 /nfs/dbraw/zinc/16/63/55/800166355.db2.gz BRNZRNUFOOZCOC-FZMZJTMJSA-N 1 3 287.234 3.253 20 0 CGADHO CSC1CCC(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000720597500 800263485 /nfs/dbraw/zinc/26/34/85/800263485.db2.gz XBPBKBMGAJRCAC-OOJKYFRXSA-N 1 3 270.486 3.015 20 0 CGADHO CC1(C)CCC[C@H](N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC000721525995 800291916 /nfs/dbraw/zinc/29/19/16/800291916.db2.gz TXMJICJAWQJPSX-IRXDYDNUSA-N 1 3 272.436 3.341 20 0 CGADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001256561377 806916464 /nfs/dbraw/zinc/91/64/64/806916464.db2.gz GNIPREJDUJBIAM-SJORKVTESA-N 1 3 272.436 3.395 20 0 CGADHO CCN(Cc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629596 806932345 /nfs/dbraw/zinc/93/23/45/806932345.db2.gz MQXUJQQYUGSTND-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO CCN(Cc1ccc(C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629596 806932351 /nfs/dbraw/zinc/93/23/51/806932351.db2.gz MQXUJQQYUGSTND-JWTNVVGKSA-N 1 3 272.436 3.442 20 0 CGADHO CCC1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256677980 806946451 /nfs/dbraw/zinc/94/64/51/806946451.db2.gz JKMVESUYYCJODW-UHFFFAOYSA-N 1 3 294.483 3.188 20 0 CGADHO CCC(CC)N1CCC([NH2+][C@@H](C)Cc2ccncc2)CC1 ZINC001256730886 806962374 /nfs/dbraw/zinc/96/23/74/806962374.db2.gz XQAMDQWWHYKLOE-HNNXBMFYSA-N 1 3 289.467 3.255 20 0 CGADHO CCC(CC)[NH+]1CCC(N[C@@H](C)Cc2ccncc2)CC1 ZINC001256730886 806962376 /nfs/dbraw/zinc/96/23/76/806962376.db2.gz XQAMDQWWHYKLOE-HNNXBMFYSA-N 1 3 289.467 3.255 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172381570 808276186 /nfs/dbraw/zinc/27/61/86/808276186.db2.gz FHHIHGHIXKNGDR-SMLCLMEVSA-N 1 3 264.457 3.085 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172381570 808276191 /nfs/dbraw/zinc/27/61/91/808276191.db2.gz FHHIHGHIXKNGDR-SMLCLMEVSA-N 1 3 264.457 3.085 20 0 CGADHO C[C@H]1CCC[C@H](CN2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001119517264 802675746 /nfs/dbraw/zinc/67/57/46/802675746.db2.gz QIDMSXXDJIDFEK-HOTGVXAUSA-N 1 3 294.483 3.046 20 0 CGADHO NCc1nn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256901371 807001826 /nfs/dbraw/zinc/00/18/26/807001826.db2.gz VWNDJOTWUASJER-OAHLLOKOSA-N 1 3 298.434 3.075 20 0 CGADHO NCc1nn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256901371 807001836 /nfs/dbraw/zinc/00/18/36/807001836.db2.gz VWNDJOTWUASJER-OAHLLOKOSA-N 1 3 298.434 3.075 20 0 CGADHO C[N@H+](CCCN1CCCC1)Cc1c[nH]c2c1cccc2F ZINC001137056440 803676884 /nfs/dbraw/zinc/67/68/84/803676884.db2.gz UZIIBTAIIUATOS-UHFFFAOYSA-N 1 3 289.398 3.225 20 0 CGADHO C[N@@H+](CCCN1CCCC1)Cc1c[nH]c2c1cccc2F ZINC001137056440 803676886 /nfs/dbraw/zinc/67/68/86/803676886.db2.gz UZIIBTAIIUATOS-UHFFFAOYSA-N 1 3 289.398 3.225 20 0 CGADHO CC1CCC([NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC001246066984 804107066 /nfs/dbraw/zinc/10/70/66/804107066.db2.gz SWXOOJLKZHZMJM-NEXFUWMNSA-N 1 3 252.446 3.321 20 0 CGADHO CC[C@@H]1C[C@@H](NCCc2cccc(F)c2)C[C@H](CC)[NH2+]1 ZINC001246076182 804114307 /nfs/dbraw/zinc/11/43/07/804114307.db2.gz YEMUKMKITGAFPN-BJWYYQGGSA-N 1 3 278.415 3.267 20 0 CGADHO C[C@@H](CSc1ccc(F)cc1)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246098979 804132031 /nfs/dbraw/zinc/13/20/31/804132031.db2.gz QTXKFRXIKSYKNC-HZSPNIEDSA-N 1 3 296.455 3.284 20 0 CGADHO Cc1ccc(SC[C@H](C)NC[C@H]2CCCC[NH2+]C2)cc1 ZINC001246118569 804151660 /nfs/dbraw/zinc/15/16/60/804151660.db2.gz SFBCRDMVOUAFRI-HOTGVXAUSA-N 1 3 292.492 3.455 20 0 CGADHO C[C@@H](CC(C)(C)SCc1ccco1)N[C@H]1CCC[NH2+]C1 ZINC001246121002 804151740 /nfs/dbraw/zinc/15/17/40/804151740.db2.gz VDOFYEBUCFYFAV-KBPBESRZSA-N 1 3 296.480 3.412 20 0 CGADHO Cc1ccc(CCCN[C@H]2CC[NH2+][C@H](C(C)C)C2)s1 ZINC001246127624 804154401 /nfs/dbraw/zinc/15/44/01/804154401.db2.gz LNTUTFZMHQMWBI-HOCLYGCPSA-N 1 3 280.481 3.355 20 0 CGADHO CCCC[C@H](CCC)[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001246141471 804164650 /nfs/dbraw/zinc/16/46/50/804164650.db2.gz DBPOJOKABICLKH-BBWFWOEESA-N 1 3 282.472 3.094 20 0 CGADHO Clc1ccc(C2CCC(N[C@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246147982 804167950 /nfs/dbraw/zinc/16/79/50/804167950.db2.gz NKEKXOKGFSRWKK-JWEAOGIISA-N 1 3 290.838 3.174 20 0 CGADHO C[NH2+]CC[C@H](C)NCCc1cccc(Cl)c1Cl ZINC001246158471 804173650 /nfs/dbraw/zinc/17/36/50/804173650.db2.gz LNERUEDJGKNNCH-JTQLQIEISA-N 1 3 275.223 3.124 20 0 CGADHO C[C@@H]1C[C@@H](NCCc2cccc(Cl)c2Cl)CC[NH2+]1 ZINC001246158898 804175483 /nfs/dbraw/zinc/17/54/83/804175483.db2.gz NIEQHBSWQJWKMC-PWSUYJOCSA-N 1 3 287.234 3.266 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)CCN1 ZINC001246158898 804175489 /nfs/dbraw/zinc/17/54/89/804175489.db2.gz NIEQHBSWQJWKMC-PWSUYJOCSA-N 1 3 287.234 3.266 20 0 CGADHO CCC[C@@H](CCc1ccccc1)NC[C@]1(F)CCC[NH2+]C1 ZINC001246172487 804187893 /nfs/dbraw/zinc/18/78/93/804187893.db2.gz HJOZLHSFQFGOQY-ROUUACIJSA-N 1 3 292.442 3.469 20 0 CGADHO C[C@H]1C[C@@H](NC2(c3ccccc3)CCCC2)CC[NH2+]1 ZINC001246178533 804192203 /nfs/dbraw/zinc/19/22/03/804192203.db2.gz JSWKLDMHHWDRPP-HOCLYGCPSA-N 1 3 258.409 3.186 20 0 CGADHO c1ccc(C2(N[C@@H]3CCC[NH2+]CC3)CCCC2)cc1 ZINC001246182153 804195012 /nfs/dbraw/zinc/19/50/12/804195012.db2.gz YHMAMMZQRUZEEF-MRXNPFEDSA-N 1 3 258.409 3.188 20 0 CGADHO C[C@]1(N[C@@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC001246192339 804199771 /nfs/dbraw/zinc/19/97/71/804199771.db2.gz ZTCQFUMFYBANLY-ZACQAIPSSA-N 1 3 258.409 3.054 20 0 CGADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CNCC[C@H]1F ZINC001246221200 804214347 /nfs/dbraw/zinc/21/43/47/804214347.db2.gz JHMNAXWBFIJNDI-RCCFBDPRSA-N 1 3 292.442 3.325 20 0 CGADHO CCCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNCC[C@H]1F ZINC001246220390 804214631 /nfs/dbraw/zinc/21/46/31/804214631.db2.gz FPDOFOXFVDTYGV-KZNAEPCWSA-N 1 3 292.442 3.325 20 0 CGADHO C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)CC1CCCC1 ZINC001246240628 804232188 /nfs/dbraw/zinc/23/21/88/804232188.db2.gz SEZKSVRVBYAFHX-MUJYYYPQSA-N 1 3 250.430 3.220 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246239723 804232587 /nfs/dbraw/zinc/23/25/87/804232587.db2.gz SLOIEEWOZFXAID-QYZOEREBSA-N 1 3 286.463 3.444 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)CN ZINC001246250101 804237729 /nfs/dbraw/zinc/23/77/29/804237729.db2.gz OVIXBHXLWCUBPJ-LLVKDONJSA-N 1 3 288.357 3.211 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC(C)(C)C1 ZINC001246252252 804237864 /nfs/dbraw/zinc/23/78/64/804237864.db2.gz UUXTWMFXLPEDBX-IBEHDNSVSA-N 1 3 264.457 3.464 20 0 CGADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)CCN1 ZINC001246258385 804242744 /nfs/dbraw/zinc/24/27/44/804242744.db2.gz XBAWRFLZCSKPSA-JZAWBGDQSA-N 1 3 264.457 3.466 20 0 CGADHO CC[C@H]([NH3+])CCN[C@@H](C)Cc1ccccc1Br ZINC001246308843 804270898 /nfs/dbraw/zinc/27/08/98/804270898.db2.gz SHVRVHWYSVTVPA-AAEUAGOBSA-N 1 3 299.256 3.097 20 0 CGADHO CC(C)C[C@@H]([NH3+])CN[C@H](C)Cc1ccccc1Cl ZINC001246304524 804270131 /nfs/dbraw/zinc/27/01/31/804270131.db2.gz AGXJPTZAGDOTCY-TZMCWYRMSA-N 1 3 268.832 3.234 20 0 CGADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc3C2)C[C@H](C)N1 ZINC001246307735 804271560 /nfs/dbraw/zinc/27/15/60/804271560.db2.gz FXYFAMGWKOEASI-CZAMWMTLSA-N 1 3 292.854 3.316 20 0 CGADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246312147 804272737 /nfs/dbraw/zinc/27/27/37/804272737.db2.gz GEKNFECQZRNNEY-MWLCHTKSSA-N 1 3 290.785 3.266 20 0 CGADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246313675 804274886 /nfs/dbraw/zinc/27/48/86/804274886.db2.gz KCBMRXZSVWSAJV-VXGBXAGGSA-N 1 3 287.234 3.178 20 0 CGADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001246330140 804286351 /nfs/dbraw/zinc/28/63/51/804286351.db2.gz VGANSJSPKUHJGM-VDHUWJSZSA-N 1 3 272.436 3.443 20 0 CGADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246331856 804286583 /nfs/dbraw/zinc/28/65/83/804286583.db2.gz KAMSBWUWYHPMOE-ZVDSWSACSA-N 1 3 252.446 3.464 20 0 CGADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC(C)(C)C1 ZINC001246334587 804289534 /nfs/dbraw/zinc/28/95/34/804289534.db2.gz UUXTWMFXLPEDBX-RBZJEDDUSA-N 1 3 264.457 3.464 20 0 CGADHO CCCCC1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246340484 804292275 /nfs/dbraw/zinc/29/22/75/804292275.db2.gz HXRAKYVHOXDNOR-LBDPXKHJSA-N 1 3 252.446 3.466 20 0 CGADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC1(C[NH3+])CCC1 ZINC001246354563 804301022 /nfs/dbraw/zinc/30/10/22/804301022.db2.gz GSEBZCNMJFGKIU-LLVKDONJSA-N 1 3 286.341 3.107 20 0 CGADHO C[C@H]1CC([NH2+]C(C)(C)C2CCCCC2)C[C@H](C)N1 ZINC001246356550 804302595 /nfs/dbraw/zinc/30/25/95/804302595.db2.gz UVKDWLRYZIAYOW-STQMWFEESA-N 1 3 252.446 3.464 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCNCC1(C)C ZINC001246371387 804307248 /nfs/dbraw/zinc/30/72/48/804307248.db2.gz GUARRVIPELPARQ-IUODEOHRSA-N 1 3 280.843 3.249 20 0 CGADHO CCc1ccc(C[C@H](C)[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC001246375738 804309813 /nfs/dbraw/zinc/30/98/13/804309813.db2.gz KGPMXKVRNHFISN-WMLDXEAASA-N 1 3 274.452 3.158 20 0 CGADHO CCC[C@@H](CC)NC1(c2ccc(OC)cc2)CC[NH2+]CC1 ZINC001246382022 804312799 /nfs/dbraw/zinc/31/27/99/804312799.db2.gz XFPOPXYUSFQIAW-MRXNPFEDSA-N 1 3 290.451 3.442 20 0 CGADHO C[C@H](Cc1ccccc1F)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246381886 804312906 /nfs/dbraw/zinc/31/29/06/804312906.db2.gz TZMBNMWGOKYHCW-CQSZACIVSA-N 1 3 290.426 3.269 20 0 CGADHO CCCC(CCC)[NH2+]C1(CC2CC2)CCNCC1 ZINC001246380561 804313527 /nfs/dbraw/zinc/31/35/27/804313527.db2.gz IMBRBOKSDGLXFR-UHFFFAOYSA-N 1 3 252.446 3.467 20 0 CGADHO Cc1ccc(C[C@H](C)[NH2+]C2(CC3CC3)CCNCC2)cc1 ZINC001246382712 804313750 /nfs/dbraw/zinc/31/37/50/804313750.db2.gz ZQXLLVWPDNCJPM-INIZCTEOSA-N 1 3 286.463 3.438 20 0 CGADHO C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CCNCC2)C1 ZINC001246387128 804315644 /nfs/dbraw/zinc/31/56/44/804315644.db2.gz BUKSYVJDPZCCGI-WMLDXEAASA-N 1 3 290.426 3.269 20 0 CGADHO CC(C)(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2)CC1CCC1 ZINC001246391608 804318645 /nfs/dbraw/zinc/31/86/45/804318645.db2.gz NPTVKBJIUWUFME-MUJYYYPQSA-N 1 3 264.457 3.466 20 0 CGADHO C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)CCN1 ZINC001246411977 804326580 /nfs/dbraw/zinc/32/65/80/804326580.db2.gz HPMASLZYJUNZTO-BBRMVZONSA-N 1 3 280.843 3.393 20 0 CGADHO CCC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(C)cc2)CCN1 ZINC001246460467 804342791 /nfs/dbraw/zinc/34/27/91/804342791.db2.gz IJQJIOAJALTAKT-RDJZCZTQSA-N 1 3 260.425 3.048 20 0 CGADHO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)CCN1 ZINC001246466139 804346285 /nfs/dbraw/zinc/34/62/85/804346285.db2.gz MOUGQKUBUWCTNL-HOTGVXAUSA-N 1 3 272.436 3.227 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CCNCC12CC2 ZINC001246472785 804348975 /nfs/dbraw/zinc/34/89/75/804348975.db2.gz IWXMQVJNZSDSGO-KKUMJFAQSA-N 1 3 252.446 3.323 20 0 CGADHO CCCCCC[C@@H](CC)[NH2+][C@@H](C1CC1)C1CNC1 ZINC001246515236 804370288 /nfs/dbraw/zinc/37/02/88/804370288.db2.gz KVAIXZNHBWWKJE-CVEARBPZSA-N 1 3 252.446 3.323 20 0 CGADHO CCCCCC[C@@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246492230 804358426 /nfs/dbraw/zinc/35/84/26/804358426.db2.gz BZBGVHLJYNMJJG-OAHLLOKOSA-N 1 3 291.483 3.387 20 0 CGADHO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N[C@@H](C)C1)C1CCCCC1 ZINC001246491971 804359431 /nfs/dbraw/zinc/35/94/31/804359431.db2.gz UXNARSVVVXCTLR-XRGAULLZSA-N 1 3 252.446 3.464 20 0 CGADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](CC)C1)C1CCCCC1 ZINC001246491073 804359729 /nfs/dbraw/zinc/35/97/29/804359729.db2.gz SJSDTUOMBXNIEQ-OAGGEKHMSA-N 1 3 252.446 3.466 20 0 CGADHO CCC[C@H](CCc1ccccc1)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246497759 804360476 /nfs/dbraw/zinc/36/04/76/804360476.db2.gz QZWKWCSQDVIPNM-NXHRZFHOSA-N 1 3 274.452 3.376 20 0 CGADHO CCCC[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC001246499574 804362043 /nfs/dbraw/zinc/36/20/43/804362043.db2.gz LMYSERYXIIOKAW-CABCVRRESA-N 1 3 252.446 3.323 20 0 CGADHO CNc1cccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246505008 804365970 /nfs/dbraw/zinc/36/59/70/804365970.db2.gz KBWGURONKFCURK-MOPGFXCFSA-N 1 3 295.430 3.311 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[NH2+][C@H](C(C)C)C1CNC1 ZINC001246515209 804370341 /nfs/dbraw/zinc/37/03/41/804370341.db2.gz KHXIUFBQCOONBC-SQWLQELKSA-N 1 3 254.462 3.425 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH2+][C@H](C(C)C)C2CNC2)cc1 ZINC001246519560 804373931 /nfs/dbraw/zinc/37/39/31/804373931.db2.gz SHJRJPHAQUTYKK-MAUKXSAKSA-N 1 3 274.452 3.150 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246521182 804377007 /nfs/dbraw/zinc/37/70/07/804377007.db2.gz XSIWXJVVOGZUNN-LXTVHRRPSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCN[C@@H](C(C)(C)C)C1 ZINC001246521182 804377014 /nfs/dbraw/zinc/37/70/14/804377014.db2.gz XSIWXJVVOGZUNN-LXTVHRRPSA-N 1 3 252.446 3.416 20 0 CGADHO C[C@@H](Cc1c(F)cccc1Cl)N1CCC(C[NH3+])CC1 ZINC001246540058 804388767 /nfs/dbraw/zinc/38/87/67/804388767.db2.gz UTEUDQRTYWGSLL-NSHDSACASA-N 1 3 284.806 3.081 20 0 CGADHO C[C@@H]1CCN([C@@H]2CCc3cccc(Cl)c3C2)C[C@H]1C[NH3+] ZINC001246547040 804395136 /nfs/dbraw/zinc/39/51/36/804395136.db2.gz AJUQTNMYSJDNQV-BPLDGKMQSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1CCN([C@H]2CCc3cccc(Cl)c3C2)C[C@@H]1C[NH3+] ZINC001246547041 804396003 /nfs/dbraw/zinc/39/60/03/804396003.db2.gz AJUQTNMYSJDNQV-SNPRPXQTSA-N 1 3 292.854 3.114 20 0 CGADHO C[C@@H]1C[C@@H](N2CCc3ccccc3[C@@H]2C)C[C@H](C)[NH2+]1 ZINC001246546595 804396174 /nfs/dbraw/zinc/39/61/74/804396174.db2.gz LDQNZIMOALCSEC-FQLMCAECSA-N 1 3 258.409 3.135 20 0 CGADHO C[C@@]1([NH3+])CCCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001246553399 804402196 /nfs/dbraw/zinc/40/21/96/804402196.db2.gz RMJYCMDFSZIAFX-RHSMWYFYSA-N 1 3 292.854 3.401 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](C)C2)C[C@H](CC)N1 ZINC001246554939 804404919 /nfs/dbraw/zinc/40/49/19/804404919.db2.gz CZXWODVEVOEIEM-LVQVYYBASA-N 1 3 252.446 3.418 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](C)C2)C[C@H](CC)N1 ZINC001246554939 804404923 /nfs/dbraw/zinc/40/49/23/804404923.db2.gz CZXWODVEVOEIEM-LVQVYYBASA-N 1 3 252.446 3.418 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559418 804408203 /nfs/dbraw/zinc/40/82/03/804408203.db2.gz BCZTWGKNJNCMCB-DDBAPUKQSA-N 1 3 272.436 3.382 20 0 CGADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001246559418 804408206 /nfs/dbraw/zinc/40/82/06/804408206.db2.gz BCZTWGKNJNCMCB-DDBAPUKQSA-N 1 3 272.436 3.382 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@H](C)C2)CCN1 ZINC001246571154 804417018 /nfs/dbraw/zinc/41/70/18/804417018.db2.gz HRVVIWHMBZDVJX-FPCVCCKLSA-N 1 3 252.446 3.131 20 0 CGADHO CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H](C)C2)CCN1 ZINC001246571154 804417021 /nfs/dbraw/zinc/41/70/21/804417021.db2.gz HRVVIWHMBZDVJX-FPCVCCKLSA-N 1 3 252.446 3.131 20 0 CGADHO C[C@H](Cc1c(F)cccc1Cl)N1CCC(CC[NH3+])CC1 ZINC001246581690 804426134 /nfs/dbraw/zinc/42/61/34/804426134.db2.gz UOFMZUONAXTFQQ-GFCCVEGCSA-N 1 3 298.833 3.471 20 0 CGADHO C[C@@H](Cc1cccc(Cl)c1)N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246593893 804435701 /nfs/dbraw/zinc/43/57/01/804435701.db2.gz UEEROQFADGYONO-VNHYZAJKSA-N 1 3 280.843 3.330 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246601921 804438656 /nfs/dbraw/zinc/43/86/56/804438656.db2.gz HXSGJMYCGJTRLT-RTBURBONSA-N 1 3 286.463 3.473 20 0 CGADHO CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246601921 804438661 /nfs/dbraw/zinc/43/86/61/804438661.db2.gz HXSGJMYCGJTRLT-RTBURBONSA-N 1 3 286.463 3.473 20 0 CGADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001246604405 804441321 /nfs/dbraw/zinc/44/13/21/804441321.db2.gz LROUFACGMQHNDA-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001246604405 804441326 /nfs/dbraw/zinc/44/13/26/804441326.db2.gz LROUFACGMQHNDA-JKSUJKDBSA-N 1 3 252.446 3.277 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC[C@@]3(CCCC[NH2+]3)C2)C[C@@H]1C ZINC001246611600 804445059 /nfs/dbraw/zinc/44/50/59/804445059.db2.gz GQTVJNMKWKMXNW-QZWWFDLISA-N 1 3 264.457 3.419 20 0 CGADHO CC[C@H](C)OCC[C@H](C)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610809 804445219 /nfs/dbraw/zinc/44/52/19/804445219.db2.gz NZYIRCSNJFBDAR-YESZJQIVSA-N 1 3 282.472 3.046 20 0 CGADHO Cc1ccc(C[C@H](C)N2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246611966 804447190 /nfs/dbraw/zinc/44/71/90/804447190.db2.gz VETQLMBNUBINPN-HKUYNNGSSA-N 1 3 286.463 3.392 20 0 CGADHO C1C[C@]2(CN1C1CCCCCCC1)CCCC[NH2+]2 ZINC001246624777 804457445 /nfs/dbraw/zinc/45/74/45/804457445.db2.gz SFPBRBFRNPRKNP-INIZCTEOSA-N 1 3 250.430 3.317 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628366 804458995 /nfs/dbraw/zinc/45/89/95/804458995.db2.gz XKWDVTJPIYAFAR-YHUYYLMFSA-N 1 3 252.446 3.275 20 0 CGADHO CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246628366 804458996 /nfs/dbraw/zinc/45/89/96/804458996.db2.gz XKWDVTJPIYAFAR-YHUYYLMFSA-N 1 3 252.446 3.275 20 0 CGADHO CCCCCC[C@H](CCC)[N@@H+]1CCC2(CNC2)C1 ZINC001246632557 804462844 /nfs/dbraw/zinc/46/28/44/804462844.db2.gz XHMUHRGZKTZJGM-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCCC[C@H](CCC)[N@H+]1CCC2(CNC2)C1 ZINC001246632557 804462846 /nfs/dbraw/zinc/46/28/46/804462846.db2.gz XHMUHRGZKTZJGM-HNNXBMFYSA-N 1 3 252.446 3.421 20 0 CGADHO C[C@H]1C[C@H](N2CCCC[C@@]23CC[NH2+]C3)C[C@@H](C)C1 ZINC001246641765 804468657 /nfs/dbraw/zinc/46/86/57/804468657.db2.gz FLQGRPIPABXJBQ-JJXSEGSLSA-N 1 3 250.430 3.029 20 0 CGADHO c1ccc([C@H]2CCC[C@H](N3CC[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246643718 804471080 /nfs/dbraw/zinc/47/10/80/804471080.db2.gz CPQFDSYGUNMSDN-XLAORIBOSA-N 1 3 270.420 3.007 20 0 CGADHO C[C@@H]1C[C@@H](N2CCCC[C@]23CC[NH2+]C3)CC(C)(C)C1 ZINC001246644618 804472055 /nfs/dbraw/zinc/47/20/55/804472055.db2.gz RQFIGOUERITJIA-BFYDXBDKSA-N 1 3 264.457 3.419 20 0 CGADHO CCCC(CCC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246652947 804478938 /nfs/dbraw/zinc/47/89/38/804478938.db2.gz BAXCHTXMCCVITN-AAEUAGOBSA-N 1 3 278.362 3.039 20 0 CGADHO CCCC(CCC)[N@@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246652947 804478939 /nfs/dbraw/zinc/47/89/39/804478939.db2.gz BAXCHTXMCCVITN-AAEUAGOBSA-N 1 3 278.362 3.039 20 0 CGADHO CCCC(CCC)[N@H+]1C[C@@H]2CNC[C@]2(C(F)(F)F)C1 ZINC001246652947 804478943 /nfs/dbraw/zinc/47/89/43/804478943.db2.gz BAXCHTXMCCVITN-AAEUAGOBSA-N 1 3 278.362 3.039 20 0 CGADHO CCN1C[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@H]2C1 ZINC001140639722 804481352 /nfs/dbraw/zinc/48/13/52/804481352.db2.gz NRPAUZARIXPXIH-ZIAGYGMSSA-N 1 3 286.444 3.285 20 0 CGADHO CCCC[C@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246656336 804482192 /nfs/dbraw/zinc/48/21/92/804482192.db2.gz NMXYKIBWLUYMEX-AVGNSLFASA-N 1 3 278.362 3.039 20 0 CGADHO CCCCC[C@H](CC)N1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659469 804483423 /nfs/dbraw/zinc/48/34/23/804483423.db2.gz XKYNHUFCVSZPHA-IHRRRGAJSA-N 1 3 292.389 3.429 20 0 CGADHO CC(C)CC(CC(C)C)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246693773 804499733 /nfs/dbraw/zinc/49/97/33/804499733.db2.gz QPRMWSDZFBMRNW-SJORKVTESA-N 1 3 284.463 3.471 20 0 CGADHO CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246693773 804499736 /nfs/dbraw/zinc/49/97/36/804499736.db2.gz QPRMWSDZFBMRNW-SJORKVTESA-N 1 3 284.463 3.471 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CN)C1 ZINC001246774275 804504267 /nfs/dbraw/zinc/50/42/67/804504267.db2.gz FPDFHHNVODUYRX-ROUUACIJSA-N 1 3 274.452 3.459 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](CN)C1 ZINC001246774275 804504274 /nfs/dbraw/zinc/50/42/74/804504274.db2.gz FPDFHHNVODUYRX-ROUUACIJSA-N 1 3 274.452 3.459 20 0 CGADHO CCCC[C@H]1C[C@@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC001246781381 804507594 /nfs/dbraw/zinc/50/75/94/804507594.db2.gz FYIPXUDRNAPRIY-GJZGRUSLSA-N 1 3 252.446 3.419 20 0 CGADHO COc1ccc([C@H]2CCCN2C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC001246785037 804511475 /nfs/dbraw/zinc/51/14/75/804511475.db2.gz JPLOPUYHTKLCNO-HBUWYVDXSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@H]2CCC[N@@H+]2C2C[C@@H](C)N[C@H](C)C2)cc1 ZINC001246785037 804511482 /nfs/dbraw/zinc/51/14/82/804511482.db2.gz JPLOPUYHTKLCNO-HBUWYVDXSA-N 1 3 288.435 3.361 20 0 CGADHO COc1ccc([C@H]2CCC[N@H+]2C2C[C@@H](C)N[C@H](C)C2)cc1 ZINC001246785037 804511489 /nfs/dbraw/zinc/51/14/89/804511489.db2.gz JPLOPUYHTKLCNO-HBUWYVDXSA-N 1 3 288.435 3.361 20 0 CGADHO CCC[C@H]1CCCC[N@@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246787465 804512259 /nfs/dbraw/zinc/51/22/59/804512259.db2.gz CXOWJKZRAPHMPJ-GJZGRUSLSA-N 1 3 250.430 3.316 20 0 CGADHO CCC[C@H]1CCCC[N@H+]1[C@H]1CCNC2(CCC2)C1 ZINC001246787465 804512266 /nfs/dbraw/zinc/51/22/66/804512266.db2.gz CXOWJKZRAPHMPJ-GJZGRUSLSA-N 1 3 250.430 3.316 20 0 CGADHO CCCCC[C@@H](CCC)[N@@H+]1CCCC2(CNC2)C1 ZINC001246793198 804515511 /nfs/dbraw/zinc/51/55/11/804515511.db2.gz TUPQLQGSFVDKAO-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CCCCC[C@@H](CCC)[N@H+]1CCCC2(CNC2)C1 ZINC001246793198 804515513 /nfs/dbraw/zinc/51/55/13/804515513.db2.gz TUPQLQGSFVDKAO-OAHLLOKOSA-N 1 3 252.446 3.421 20 0 CGADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246792927 804516202 /nfs/dbraw/zinc/51/62/02/804516202.db2.gz SLILVPNCHOGMKB-KSZLIROESA-N 1 3 272.436 3.082 20 0 CGADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)CCN1 ZINC001246792927 804516205 /nfs/dbraw/zinc/51/62/05/804516205.db2.gz SLILVPNCHOGMKB-KSZLIROESA-N 1 3 272.436 3.082 20 0 CGADHO C[N@H+](CCc1cccc(Cl)c1)[C@H]1CCNC2(CCC2)C1 ZINC001246826980 804539768 /nfs/dbraw/zinc/53/97/68/804539768.db2.gz ZUHNSKDMJWJWJG-INIZCTEOSA-N 1 3 292.854 3.489 20 0 CGADHO C[N@@H+](CCc1cccc(Cl)c1)[C@H]1CCNC2(CCC2)C1 ZINC001246826980 804539770 /nfs/dbraw/zinc/53/97/70/804539770.db2.gz ZUHNSKDMJWJWJG-INIZCTEOSA-N 1 3 292.854 3.489 20 0 CGADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844433 804552603 /nfs/dbraw/zinc/55/26/03/804552603.db2.gz JGNYNFUCAGHIRH-KBAYOESNSA-N 1 3 272.436 3.397 20 0 CGADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1 ZINC001246844433 804552609 /nfs/dbraw/zinc/55/26/09/804552609.db2.gz JGNYNFUCAGHIRH-KBAYOESNSA-N 1 3 272.436 3.397 20 0 CGADHO C[NH2+]CC[C@@H](C)N1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001246853368 804562506 /nfs/dbraw/zinc/56/25/06/804562506.db2.gz JSIYTLYLIUIZJK-ZBFHGGJFSA-N 1 3 278.415 3.078 20 0 CGADHO C[C@@H]1C[C@@H](N2CCC(Sc3ccccc3)CC2)CC[NH2+]1 ZINC001246874010 804573294 /nfs/dbraw/zinc/57/32/94/804573294.db2.gz HWPODQMIVVIHCZ-CABCVRRESA-N 1 3 290.476 3.384 20 0 CGADHO Cc1ccc(CC[C@H](C)[NH+]2CCCNCCC2)cc1 ZINC001246905895 804589481 /nfs/dbraw/zinc/58/94/81/804589481.db2.gz OMWKZCRMYMYJLM-INIZCTEOSA-N 1 3 260.425 3.002 20 0 CGADHO CC[N@H+](CCc1ccc(OC)cc1)[C@@H]1CCNC(C)(C)C1 ZINC001246925337 804603936 /nfs/dbraw/zinc/60/39/36/804603936.db2.gz WXJLOPVGBYOEMU-MRXNPFEDSA-N 1 3 290.451 3.090 20 0 CGADHO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CCNC(C)(C)C1 ZINC001246925337 804603938 /nfs/dbraw/zinc/60/39/38/804603938.db2.gz WXJLOPVGBYOEMU-MRXNPFEDSA-N 1 3 290.451 3.090 20 0 CGADHO CCN(CCc1ccc(OC)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246925337 804603939 /nfs/dbraw/zinc/60/39/39/804603939.db2.gz WXJLOPVGBYOEMU-MRXNPFEDSA-N 1 3 290.451 3.090 20 0 CGADHO C[NH2+]CC[C@H](C)N(CCCCCCO)Cc1ccccc1 ZINC001246925749 804604041 /nfs/dbraw/zinc/60/40/41/804604041.db2.gz PKXJIZJLYRUTFX-KRWDZBQOSA-N 1 3 292.467 3.039 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246934237 804606926 /nfs/dbraw/zinc/60/69/26/804606926.db2.gz AOTDKNBJKRKBKC-CGTJXYLNSA-N 1 3 294.483 3.188 20 0 CGADHO CO[C@@H]1CCC[C@@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)C1 ZINC001246934237 804606929 /nfs/dbraw/zinc/60/69/29/804606929.db2.gz AOTDKNBJKRKBKC-CGTJXYLNSA-N 1 3 294.483 3.188 20 0 CGADHO COc1cccc(C2CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC001246944322 804612486 /nfs/dbraw/zinc/61/24/86/804612486.db2.gz WSDRRAOSLVZHBC-RHSMWYFYSA-N 1 3 288.435 3.015 20 0 CGADHO COc1cccc(C2CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)c1 ZINC001246944322 804612489 /nfs/dbraw/zinc/61/24/89/804612489.db2.gz WSDRRAOSLVZHBC-RHSMWYFYSA-N 1 3 288.435 3.015 20 0 CGADHO C[C@H]1C[C@H]([NH+]2CCC(C)(c3ccccc3)CC2)CCN1 ZINC001246947388 804614346 /nfs/dbraw/zinc/61/43/46/804614346.db2.gz XMRRQHPAVULNPI-DOTOQJQBSA-N 1 3 272.436 3.181 20 0 CGADHO CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC2(CCCCC2)CC1 ZINC001246947487 804614520 /nfs/dbraw/zinc/61/45/20/804614520.db2.gz KUPGKSXELYVCDF-ZSHCYNCHSA-N 1 3 262.441 3.029 20 0 CGADHO CC[C@@H](C)[N@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952043 804616676 /nfs/dbraw/zinc/61/66/76/804616676.db2.gz QWUBBEOEUPJGJS-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@@H](C)[N@@H+](Cc1cc(C)cc(F)c1)C1CCNCC1 ZINC001246952043 804616679 /nfs/dbraw/zinc/61/66/79/804616679.db2.gz QWUBBEOEUPJGJS-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO CC[C@@H](C)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001246952043 804616684 /nfs/dbraw/zinc/61/66/84/804616684.db2.gz QWUBBEOEUPJGJS-CQSZACIVSA-N 1 3 278.415 3.487 20 0 CGADHO CCCCC[C@H](CCC)[N@H+](CCN(C)C)C1CCNCC1 ZINC001246992185 804631831 /nfs/dbraw/zinc/63/18/31/804631831.db2.gz YFFBRCIRMAMBEC-KRWDZBQOSA-N 1 3 297.531 3.351 20 0 CGADHO CCCCC[C@H](CCC)[N@@H+](CCN(C)C)C1CCNCC1 ZINC001246992185 804631835 /nfs/dbraw/zinc/63/18/35/804631835.db2.gz YFFBRCIRMAMBEC-KRWDZBQOSA-N 1 3 297.531 3.351 20 0 CGADHO CCCN(CCC[NH+](C)C)Cc1c(C)cc(OC)cc1C ZINC001142949410 804789035 /nfs/dbraw/zinc/78/90/35/804789035.db2.gz JSZYYOUIOVTAAM-UHFFFAOYSA-N 1 3 292.467 3.476 20 0 CGADHO C[NH+]1CCC2(CN(Cc3ccc(-n4cccc4)cc3)C2)CC1 ZINC001144252653 804961532 /nfs/dbraw/zinc/96/15/32/804961532.db2.gz SHXHVLBXZYCWRY-UHFFFAOYSA-N 1 3 295.430 3.005 20 0 CGADHO CCC[C@@H](C)N1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001257311566 807099646 /nfs/dbraw/zinc/09/96/46/807099646.db2.gz NCPMTRSGJOHECV-CYBMUJFWSA-N 1 3 264.388 3.264 20 0 CGADHO CCCCCC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001257367801 807126790 /nfs/dbraw/zinc/12/67/90/807126790.db2.gz GQUYMRXGMBLCII-OAHLLOKOSA-N 1 3 252.446 3.373 20 0 CGADHO CC[C@H](C)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001257446497 807160528 /nfs/dbraw/zinc/16/05/28/807160528.db2.gz NJOCWEWSDHBVCP-CGTJXYLNSA-N 1 3 272.436 3.239 20 0 CGADHO CC[C@H](C)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001257446497 807160533 /nfs/dbraw/zinc/16/05/33/807160533.db2.gz NJOCWEWSDHBVCP-CGTJXYLNSA-N 1 3 272.436 3.239 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477043 807174653 /nfs/dbraw/zinc/17/46/53/807174653.db2.gz ICXMFQRQGGZBMX-HZMVEIRTSA-N 1 3 266.473 3.475 20 0 CGADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257477043 807174655 /nfs/dbraw/zinc/17/46/55/807174655.db2.gz ICXMFQRQGGZBMX-HZMVEIRTSA-N 1 3 266.473 3.475 20 0 CGADHO CCN(CC)CCC[N@H+](C)[C@@H](C)Cc1cccs1 ZINC001167607996 807215393 /nfs/dbraw/zinc/21/53/93/807215393.db2.gz HGFPBMOLROZVKW-AWEZNQCLSA-N 1 3 268.470 3.343 20 0 CGADHO CCN(CC)CCC[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC001167607996 807215400 /nfs/dbraw/zinc/21/54/00/807215400.db2.gz HGFPBMOLROZVKW-AWEZNQCLSA-N 1 3 268.470 3.343 20 0 CGADHO CC(C)CN1CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC001258001380 807263150 /nfs/dbraw/zinc/26/31/50/807263150.db2.gz ONNFJNUYFMHKPU-UHFFFAOYSA-N 1 3 297.446 3.445 20 0 CGADHO CC(C)CN1CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001258017164 807267058 /nfs/dbraw/zinc/26/70/58/807267058.db2.gz UQBMLHKASYEXNN-UHFFFAOYSA-N 1 3 274.399 3.084 20 0 CGADHO CC1(C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167971219 807288386 /nfs/dbraw/zinc/28/83/86/807288386.db2.gz SVNHTEPDCMWABE-VHRNVKJDSA-N 1 3 262.441 3.170 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001168182981 807336991 /nfs/dbraw/zinc/33/69/91/807336991.db2.gz MCBAMSMISQSNGP-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001168182981 807336997 /nfs/dbraw/zinc/33/69/97/807336997.db2.gz MCBAMSMISQSNGP-BMFZPTHFSA-N 1 3 292.854 3.155 20 0 CGADHO C[C@H](Cc1ccco1)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258176252 807341515 /nfs/dbraw/zinc/34/15/15/807341515.db2.gz NJXWKSSXFBMHSJ-GFCCVEGCSA-N 1 3 264.413 3.191 20 0 CGADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168704743 807490361 /nfs/dbraw/zinc/49/03/61/807490361.db2.gz PBFSFIXKRSWECU-QLFBSQMISA-N 1 3 292.854 3.270 20 0 CGADHO CCCC[NH+]1CCC(N(C)[C@H](C)Cc2cccnc2)CC1 ZINC001258630461 807517786 /nfs/dbraw/zinc/51/77/86/807517786.db2.gz AMKUCHATPSVUON-MRXNPFEDSA-N 1 3 289.467 3.209 20 0 CGADHO CCC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCN1C ZINC001258651247 807523254 /nfs/dbraw/zinc/52/32/54/807523254.db2.gz LSQJDSNQZGPOLV-MSOLQXFVSA-N 1 3 274.452 3.472 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](C)CN ZINC001258708448 807561619 /nfs/dbraw/zinc/56/16/19/807561619.db2.gz XUWNKHKDXPEWQH-RDJZCZTQSA-N 1 3 262.441 3.315 20 0 CGADHO CCCC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)CN ZINC001258708448 807561623 /nfs/dbraw/zinc/56/16/23/807561623.db2.gz XUWNKHKDXPEWQH-RDJZCZTQSA-N 1 3 262.441 3.315 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169094922 807574465 /nfs/dbraw/zinc/57/44/65/807574465.db2.gz NOVIMAGQCZCPHH-YYIAUSFCSA-N 1 3 258.409 3.353 20 0 CGADHO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169094922 807574467 /nfs/dbraw/zinc/57/44/67/807574467.db2.gz NOVIMAGQCZCPHH-YYIAUSFCSA-N 1 3 258.409 3.353 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cccc(F)c1 ZINC001169099095 807575535 /nfs/dbraw/zinc/57/55/35/807575535.db2.gz NDXBELWPQBDHHO-BQDHKBFISA-N 1 3 262.372 3.102 20 0 CGADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C2CCC2)C1 ZINC001169123854 807584447 /nfs/dbraw/zinc/58/44/47/807584447.db2.gz KVKIHOKUWBMKHH-ZBFHGGJFSA-N 1 3 264.457 3.419 20 0 CGADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cncc(Cl)c1 ZINC001169123732 807585408 /nfs/dbraw/zinc/58/54/08/807585408.db2.gz MQYCZZXKRYUQQT-QPKOPYBWSA-N 1 3 279.815 3.011 20 0 CGADHO CC[NH+]1CCC(NC2(c3ccc(OC)cc3)CCC2)CC1 ZINC001169238731 807612156 /nfs/dbraw/zinc/61/21/56/807612156.db2.gz LSGRAHLIZXGDSS-UHFFFAOYSA-N 1 3 288.435 3.148 20 0 CGADHO CC[NH+](CC)CCC[C@@H](C)NCC(=O)c1ccccc1F ZINC001258899821 807668723 /nfs/dbraw/zinc/66/87/23/807668723.db2.gz SECUATMQEOILMG-CQSZACIVSA-N 1 3 294.414 3.109 20 0 CGADHO C[C@@H]1CC[C@H](N2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001170117370 807764317 /nfs/dbraw/zinc/76/43/17/807764317.db2.gz KUTJNXWAFGTDIW-CJNGLKHVSA-N 1 3 276.399 3.264 20 0 CGADHO COc1ccc(C2([NH3+])CCN([C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170119470 807765404 /nfs/dbraw/zinc/76/54/04/807765404.db2.gz BOLDJJAPMJZZHD-ZBFHGGJFSA-N 1 3 288.435 3.134 20 0 CGADHO C[C@H](Cc1ccccc1Cl)N1CC2(C1)CC[NH+](C)CC2 ZINC001170283938 807813843 /nfs/dbraw/zinc/81/38/43/807813843.db2.gz CEZBQPKJEUGZOD-CQSZACIVSA-N 1 3 292.854 3.299 20 0 CGADHO CC1(C)[C@@H]2C[C@H]([NH+]3C(C)(C)CC(N)CC3(C)C)C[C@@H]21 ZINC001170720835 807885080 /nfs/dbraw/zinc/88/50/80/807885080.db2.gz NSVVUNXGPILGEO-BTTYYORXSA-N 1 3 264.457 3.401 20 0 CGADHO CCc1ccccc1C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001171554830 808093881 /nfs/dbraw/zinc/09/38/81/808093881.db2.gz OZYPHONJEREPKV-UHFFFAOYSA-N 1 3 295.430 3.356 20 0 CGADHO CCc1ccccc1C[N@H+]1CCCN(c2ccncc2)CC1 ZINC001171554830 808093889 /nfs/dbraw/zinc/09/38/89/808093889.db2.gz OZYPHONJEREPKV-UHFFFAOYSA-N 1 3 295.430 3.356 20 0 CGADHO CN1C(C)(C)CC([NH2+]C2CCSCC2)CC1(C)C ZINC001171618807 808105278 /nfs/dbraw/zinc/10/52/78/808105278.db2.gz CWEBYDUVMGNEBK-UHFFFAOYSA-N 1 3 270.486 3.123 20 0 CGADHO CC(C)OCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171623281 808106913 /nfs/dbraw/zinc/10/69/13/808106913.db2.gz RENUCXFVWRMXJX-UHFFFAOYSA-N 1 3 270.461 3.043 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3ncccc31)C2 ZINC001172104251 808173505 /nfs/dbraw/zinc/17/35/05/808173505.db2.gz BHRLXHNHFLAUQI-BASYENTBSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCCc3ncccc31)C2 ZINC001172104251 808173508 /nfs/dbraw/zinc/17/35/08/808173508.db2.gz BHRLXHNHFLAUQI-BASYENTBSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3ncccc31)C2 ZINC001172104250 808174122 /nfs/dbraw/zinc/17/41/22/808174122.db2.gz BHRLXHNHFLAUQI-AFIMGQEJSA-N 1 3 285.435 3.064 20 0 CGADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCCc3ncccc31)C2 ZINC001172104250 808174124 /nfs/dbraw/zinc/17/41/24/808174124.db2.gz BHRLXHNHFLAUQI-AFIMGQEJSA-N 1 3 285.435 3.064 20 0 CGADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)C[C@@H]1C ZINC001172370605 808265420 /nfs/dbraw/zinc/26/54/20/808265420.db2.gz PTECZSVRNJEQBY-MDMSPXHWSA-N 1 3 294.483 3.044 20 0 CGADHO C[C@H](CN)C[N@H+](C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537868 808371431 /nfs/dbraw/zinc/37/14/31/808371431.db2.gz WWRCZNQEESYMMS-OIISXLGYSA-N 1 3 260.425 3.239 20 0 CGADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172537868 808371441 /nfs/dbraw/zinc/37/14/41/808371441.db2.gz WWRCZNQEESYMMS-OIISXLGYSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)[N@H+](CCCN)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545493 808376332 /nfs/dbraw/zinc/37/63/32/808376332.db2.gz CEEVNSVOZCPNAE-SJORKVTESA-N 1 3 260.425 3.382 20 0 CGADHO CC(C)[N@@H+](CCCN)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172545493 808376340 /nfs/dbraw/zinc/37/63/40/808376340.db2.gz CEEVNSVOZCPNAE-SJORKVTESA-N 1 3 260.425 3.382 20 0 CGADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839825 808454531 /nfs/dbraw/zinc/45/45/31/808454531.db2.gz VHBFIQBDLFKVRY-HSALFYBXSA-N 1 3 298.474 3.126 20 0 CGADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(C)cc4C3)C[C@@H]2C1 ZINC001172839825 808454537 /nfs/dbraw/zinc/45/45/37/808454537.db2.gz VHBFIQBDLFKVRY-HSALFYBXSA-N 1 3 298.474 3.126 20 0 CGADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCc4ccc(C)cc4C3)C[C@H]2C1 ZINC001172839824 808455455 /nfs/dbraw/zinc/45/54/55/808455455.db2.gz VHBFIQBDLFKVRY-AQNXPRMDSA-N 1 3 298.474 3.126 20 0 CGADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCN1CCCC1 ZINC001172854002 808463414 /nfs/dbraw/zinc/46/34/14/808463414.db2.gz FTVUHDPYJFBDCD-CYBMUJFWSA-N 1 3 298.833 3.486 20 0 CGADHO CC[NH+](CC)C1CCC(N2CCc3ncsc3C2)CC1 ZINC001173114240 808513066 /nfs/dbraw/zinc/51/30/66/808513066.db2.gz CZTKHUJDBVXUDC-UHFFFAOYSA-N 1 3 293.480 3.154 20 0 CGADHO CC[NH+](CC)C1CCC(N2CCc3ccncc3C2)CC1 ZINC001173114397 808513852 /nfs/dbraw/zinc/51/38/52/808513852.db2.gz IPNBOCORDCJMKL-UHFFFAOYSA-N 1 3 287.451 3.093 20 0 CGADHO CCc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1 ZINC001173242571 808550953 /nfs/dbraw/zinc/55/09/53/808550953.db2.gz WEXMQNYLFFBHJB-CRAIPNDOSA-N 1 3 274.452 3.254 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)C1 ZINC001173288560 808588927 /nfs/dbraw/zinc/58/89/27/808588927.db2.gz NNGHIBYERAICQA-KBAYOESNSA-N 1 3 294.483 3.140 20 0 CGADHO CC[C@@H]1CC[C@@H](N2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)C1 ZINC001173288560 808588933 /nfs/dbraw/zinc/58/89/33/808588933.db2.gz NNGHIBYERAICQA-KBAYOESNSA-N 1 3 294.483 3.140 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCc3c[nH]c4ccccc34)(C1)CCC2 ZINC001275865723 808973202 /nfs/dbraw/zinc/97/32/02/808973202.db2.gz FJYZQZBPASBKKT-ZWKOTPCHSA-N 1 3 283.419 3.322 20 0 CGADHO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)s1 ZINC001276043162 808985880 /nfs/dbraw/zinc/98/58/80/808985880.db2.gz VZUQPBDHEUZNJU-INIZCTEOSA-N 1 3 278.465 3.228 20 0 CGADHO CCc1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)s1 ZINC001276043162 808985883 /nfs/dbraw/zinc/98/58/83/808985883.db2.gz VZUQPBDHEUZNJU-INIZCTEOSA-N 1 3 278.465 3.228 20 0 CGADHO Cc1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)cc1F ZINC001276232548 808994257 /nfs/dbraw/zinc/99/42/57/808994257.db2.gz HZTCNSCEIJDRKM-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)cc1F ZINC001276232548 808994262 /nfs/dbraw/zinc/99/42/62/808994262.db2.gz HZTCNSCEIJDRKM-UHFFFAOYSA-N 1 3 290.426 3.442 20 0 CGADHO Cc1ccc(F)c(CN2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276244154 808995976 /nfs/dbraw/zinc/99/59/76/808995976.db2.gz QLXMWXWVVLMJIG-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1ccc(F)c(CN2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001276244154 808995980 /nfs/dbraw/zinc/99/59/80/808995980.db2.gz QLXMWXWVVLMJIG-UHFFFAOYSA-N 1 3 276.399 3.052 20 0 CGADHO Cc1cc(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)cc(C)n1 ZINC001276398293 809005254 /nfs/dbraw/zinc/00/52/54/809005254.db2.gz QIYAAXDRQOTGIM-GOSISDBHSA-N 1 3 287.451 3.006 20 0 CGADHO Cc1cc(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)cc(C)n1 ZINC001276398293 809005260 /nfs/dbraw/zinc/00/52/60/809005260.db2.gz QIYAAXDRQOTGIM-GOSISDBHSA-N 1 3 287.451 3.006 20 0 CGADHO C[NH2+][C@@]12CC[C@@](NCCOc3ccc(C)cc3)(C1)CCC2 ZINC001278127071 809116076 /nfs/dbraw/zinc/11/60/76/809116076.db2.gz YMWOJBZQKIIPDB-ZWKOTPCHSA-N 1 3 288.435 3.028 20 0 CGADHO CCCC[N@H+](C[C@H](O)C(C)C)C1CC(C)(C)NC(C)(C)C1 ZINC001174984490 809226765 /nfs/dbraw/zinc/22/67/65/809226765.db2.gz QNRDWYGNVAWOPU-INIZCTEOSA-N 1 3 298.515 3.415 20 0 CGADHO CCCC[N@@H+](C[C@H](O)C(C)C)C1CC(C)(C)NC(C)(C)C1 ZINC001174984490 809226771 /nfs/dbraw/zinc/22/67/71/809226771.db2.gz QNRDWYGNVAWOPU-INIZCTEOSA-N 1 3 298.515 3.415 20 0 CGADHO CCc1ccccc1CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176280518 809659302 /nfs/dbraw/zinc/65/93/02/809659302.db2.gz CZRKKIGICBTUCC-MRXNPFEDSA-N 1 3 295.430 3.355 20 0 CGADHO CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC001179160454 809907611 /nfs/dbraw/zinc/90/76/11/809907611.db2.gz WXPJQQGJVBGPJX-HNNXBMFYSA-N 1 3 290.451 3.079 20 0 CGADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001184418394 810198344 /nfs/dbraw/zinc/19/83/44/810198344.db2.gz NNZKQFDPCXUJCG-NUEKZKHPSA-N 1 3 252.446 3.275 20 0 CGADHO CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CCC[NH+]1CCCCC1 ZINC001191743209 810735306 /nfs/dbraw/zinc/73/53/06/810735306.db2.gz RBGBHLVZKJGOOW-IRXDYDNUSA-N 1 3 296.499 3.388 20 0 CGADHO CC(C)CN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001201476428 811854626 /nfs/dbraw/zinc/85/46/26/811854626.db2.gz BAYQBVYBOMSABH-UHFFFAOYSA-N 1 3 260.425 3.239 20 0 CGADHO CC(C)CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001201476428 811854633 /nfs/dbraw/zinc/85/46/33/811854633.db2.gz BAYQBVYBOMSABH-UHFFFAOYSA-N 1 3 260.425 3.239 20 0 CGADHO CC1([NH+]2CCCC2)CCC(NCc2cnsc2)CC1 ZINC001203715388 812438869 /nfs/dbraw/zinc/43/88/69/812438869.db2.gz ROAWSWIBPZXZNH-UHFFFAOYSA-N 1 3 279.453 3.030 20 0 CGADHO C[NH+]1CCC2(CCN(Cc3c[nH]c4ccccc34)CC2)CC1 ZINC001204046665 812532268 /nfs/dbraw/zinc/53/22/68/812532268.db2.gz SVBNOBKNZAVJCX-UHFFFAOYSA-N 1 3 297.446 3.476 20 0 CGADHO Oc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204734958 812719706 /nfs/dbraw/zinc/71/97/06/812719706.db2.gz HHXBZZCDQHSUJM-UHFFFAOYSA-N 1 3 294.826 3.011 20 0 CGADHO Cc1cccc(CN(C)Cc2cc3c(s2)C[NH2+]CC3)c1 ZINC001204847581 812753759 /nfs/dbraw/zinc/75/37/59/812753759.db2.gz CZSKJGKQFCVDIQ-UHFFFAOYSA-N 1 3 286.444 3.334 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001205000232 812816799 /nfs/dbraw/zinc/81/67/99/812816799.db2.gz AYFNDXXNIIXVBI-LXZKKBNFSA-N 1 3 292.854 3.375 20 0 CGADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H](C)CC(C)(C)C)C1 ZINC001205001912 812818269 /nfs/dbraw/zinc/81/82/69/812818269.db2.gz XLCJZIATGZTQBU-CABCVRRESA-N 1 3 254.462 3.380 20 0 CGADHO Cc1ccc(C(F)(F)F)cc1CN1CCC(C[NH3+])CC1 ZINC001205040852 812836115 /nfs/dbraw/zinc/83/61/15/812836115.db2.gz JZJXOUVCMWNJFO-UHFFFAOYSA-N 1 3 286.341 3.185 20 0 CGADHO C[C@]1([NH3+])CCCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC001205266445 812922484 /nfs/dbraw/zinc/92/24/84/812922484.db2.gz UUWMEIJXHUMWSH-INIZCTEOSA-N 1 3 298.377 3.034 20 0 CGADHO C[C@@H]1CCN(Cc2ccc(-c3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC001205303268 812940564 /nfs/dbraw/zinc/94/05/64/812940564.db2.gz BTUNNJLUWKXUNJ-BEFAXECRSA-N 1 3 295.430 3.165 20 0 CGADHO C[C@H]1CCN(Cc2ccc3ccsc3c2)C[C@H]1C[NH3+] ZINC001205303826 812942538 /nfs/dbraw/zinc/94/25/38/812942538.db2.gz LCLGSWZQGNBDEV-SWLSCSKDSA-N 1 3 274.433 3.318 20 0 CGADHO Cc1ccc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)c1F ZINC001205991296 813153499 /nfs/dbraw/zinc/15/34/99/813153499.db2.gz ABVRSJRDKCJNBW-CHWSQXEVSA-N 1 3 282.378 3.080 20 0 CGADHO C[C@H]1CN(Cc2cccc(Cl)c2F)CCC[C@@H]1C[NH3+] ZINC001205995808 813156487 /nfs/dbraw/zinc/15/64/87/813156487.db2.gz QPIXIJUKBQILNC-NWDGAFQWSA-N 1 3 284.806 3.286 20 0 CGADHO CCCCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206156692 813216794 /nfs/dbraw/zinc/21/67/94/813216794.db2.gz SCEBKBHKCQQZJP-IAGOWNOFSA-N 1 3 294.414 3.127 20 0 CGADHO CCCCOc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206156692 813216800 /nfs/dbraw/zinc/21/68/00/813216800.db2.gz SCEBKBHKCQQZJP-IAGOWNOFSA-N 1 3 294.414 3.127 20 0 CGADHO CC(C)c1ccccc1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206183189 813230591 /nfs/dbraw/zinc/23/05/91/813230591.db2.gz GCAUHYVJATWDQD-CVEARBPZSA-N 1 3 264.388 3.071 20 0 CGADHO Cc1c(C)c(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1Cl ZINC001206214164 813243545 /nfs/dbraw/zinc/24/35/45/813243545.db2.gz XMJCAEJSJDMGML-HUUCEWRRSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1c(C)c(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)ccc1Cl ZINC001206214164 813243552 /nfs/dbraw/zinc/24/35/52/813243552.db2.gz XMJCAEJSJDMGML-HUUCEWRRSA-N 1 3 284.806 3.218 20 0 CGADHO Cc1sc2ccccc2c1C[N@H+]1CCNC[C@@H](C)C1 ZINC001206278085 813269264 /nfs/dbraw/zinc/26/92/64/813269264.db2.gz YHHSACLLBAJNBL-GFCCVEGCSA-N 1 3 274.433 3.251 20 0 CGADHO Cc1sc2ccccc2c1C[N@@H+]1CCNC[C@@H](C)C1 ZINC001206278085 813269270 /nfs/dbraw/zinc/26/92/70/813269270.db2.gz YHHSACLLBAJNBL-GFCCVEGCSA-N 1 3 274.433 3.251 20 0 CGADHO C[C@]1(C[NH3+])CCCN(Cc2cc(F)ccc2Cl)CC1 ZINC001206305119 813281140 /nfs/dbraw/zinc/28/11/40/813281140.db2.gz UBRXHEVMUDKPMJ-HNNXBMFYSA-N 1 3 284.806 3.430 20 0 CGADHO COc1cc(C)cc(CN(C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206589492 813366222 /nfs/dbraw/zinc/36/62/22/813366222.db2.gz HNNVLLSGGYDCRF-QGZVFWFLSA-N 1 3 290.451 3.356 20 0 CGADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc3ccsc3c2)C1 ZINC001206633024 813380559 /nfs/dbraw/zinc/38/05/59/813380559.db2.gz RHEXJJGDOZEQTO-AWEZNQCLSA-N 1 3 274.433 3.462 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206761061 813425989 /nfs/dbraw/zinc/42/59/89/813425989.db2.gz SIISTWDTUGEBMC-JYJNAYRXSA-N 1 3 252.446 3.428 20 0 CGADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206761061 813425992 /nfs/dbraw/zinc/42/59/92/813425992.db2.gz SIISTWDTUGEBMC-JYJNAYRXSA-N 1 3 252.446 3.428 20 0 CGADHO CCn1ccc2ccc(CN3C[C@@H](C[NH3+])CC[C@H]3C)cc21 ZINC001206768543 813430102 /nfs/dbraw/zinc/43/01/02/813430102.db2.gz KJBWQZALAFRLAT-GDBMZVCRSA-N 1 3 285.435 3.220 20 0 CGADHO CCCCOc1ccc(CN2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206767785 813430742 /nfs/dbraw/zinc/43/07/42/813430742.db2.gz FFPUDNWMJPQNJR-NVXWUHKLSA-N 1 3 290.451 3.425 20 0 CGADHO CC1(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CCCC1 ZINC001206828449 813447476 /nfs/dbraw/zinc/44/74/76/813447476.db2.gz XRRKJELEYAGKGF-INIZCTEOSA-N 1 3 264.457 3.278 20 0 CGADHO CC(C)N(Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207275235 813529729 /nfs/dbraw/zinc/52/97/29/813529729.db2.gz KVPPIUYXNYGIEL-UHFFFAOYSA-N 1 3 262.441 3.485 20 0 CGADHO CC[N@H+](Cc1cccc(OC)c1)CC(C)(C)CN(C)C ZINC001207282290 813533493 /nfs/dbraw/zinc/53/34/93/813533493.db2.gz GOHFDRFRBRFCGW-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO CC[N@@H+](Cc1cccc(OC)c1)CC(C)(C)CN(C)C ZINC001207282290 813533497 /nfs/dbraw/zinc/53/34/97/813533497.db2.gz GOHFDRFRBRFCGW-UHFFFAOYSA-N 1 3 278.440 3.105 20 0 CGADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001207286463 813535627 /nfs/dbraw/zinc/53/56/27/813535627.db2.gz SCWXCPZMHQFBPG-QGZVFWFLSA-N 1 3 290.451 3.118 20 0 CGADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001207286463 813535631 /nfs/dbraw/zinc/53/56/31/813535631.db2.gz SCWXCPZMHQFBPG-QGZVFWFLSA-N 1 3 290.451 3.118 20 0 CGADHO Cc1cccc2c1CN(CCC1CC[NH+](C)CC1)C2 ZINC001207479601 813573217 /nfs/dbraw/zinc/57/32/17/813573217.db2.gz KPQYSEUTIUCOMB-UHFFFAOYSA-N 1 3 258.409 3.043 20 0 CGADHO CC(C)c1ccc(CCN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001207522242 813585044 /nfs/dbraw/zinc/58/50/44/813585044.db2.gz CBPJYPCCQMYWEN-RBUKOAKNSA-N 1 3 286.463 3.379 20 0 CGADHO CC(C)c1ccc(CCN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001207522242 813585047 /nfs/dbraw/zinc/58/50/47/813585047.db2.gz CBPJYPCCQMYWEN-RBUKOAKNSA-N 1 3 286.463 3.379 20 0 CGADHO CCN(C)C1CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC1 ZINC001207683102 813636024 /nfs/dbraw/zinc/63/60/24/813636024.db2.gz LDIOWBPZNHTVPN-MRXNPFEDSA-N 1 3 298.515 3.370 20 0 CGADHO CCC[NH+]1C[C@@H]2CN(C[C@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914673 813671972 /nfs/dbraw/zinc/67/19/72/813671972.db2.gz XEAIKQXXDVLDHK-CGTJXYLNSA-N 1 3 272.436 3.064 20 0 CGADHO CCCN1C[C@@H]2C[NH+](C[C@H](C)c3ccccc3)C[C@H]2C1 ZINC001207914673 813671975 /nfs/dbraw/zinc/67/19/75/813671975.db2.gz XEAIKQXXDVLDHK-CGTJXYLNSA-N 1 3 272.436 3.064 20 0 CGADHO CS[C@@H](C)CC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001208152461 813711083 /nfs/dbraw/zinc/71/10/83/813711083.db2.gz HLSJSQHTDIPOIZ-HRCADAONSA-N 1 3 284.513 3.467 20 0 CGADHO CS[C@@H](C)CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001208152461 813711090 /nfs/dbraw/zinc/71/10/90/813711090.db2.gz HLSJSQHTDIPOIZ-HRCADAONSA-N 1 3 284.513 3.467 20 0 CGADHO CCn1ccc2c1cccc2CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148704 816359108 /nfs/dbraw/zinc/35/91/08/816359108.db2.gz RETCNJXSMZBVNA-LJQANCHMSA-N 1 3 297.446 3.237 20 0 CGADHO C(CC1CCCC1)CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222259463 816388629 /nfs/dbraw/zinc/38/86/29/816388629.db2.gz QLIKHASLEPIPKR-QGZVFWFLSA-N 1 3 264.457 3.422 20 0 CGADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC001222422379 816439601 /nfs/dbraw/zinc/43/96/01/816439601.db2.gz UOJGEEVUVZJWOC-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC001222422379 816439605 /nfs/dbraw/zinc/43/96/05/816439605.db2.gz UOJGEEVUVZJWOC-HZPDHXFCSA-N 1 3 252.446 3.421 20 0 CGADHO [NH3+]CC1(F)CCN(Cc2c[nH]c3c2cccc3Cl)CC1 ZINC001222538549 816463675 /nfs/dbraw/zinc/46/36/75/816463675.db2.gz OAWLADCNHKDACB-UHFFFAOYSA-N 1 3 295.789 3.084 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc(-c3ccccc3)o1)CC2 ZINC001231813566 818182750 /nfs/dbraw/zinc/18/27/50/818182750.db2.gz KNSALWNZFCVKCZ-UHFFFAOYSA-N 1 3 296.414 3.474 20 0 CGADHO CN(C)Cc1cc(F)cc(C[NH+]2CCCCCC2)c1 ZINC001232143995 818263915 /nfs/dbraw/zinc/26/39/15/818263915.db2.gz FXXOGDHGUGLCAV-UHFFFAOYSA-N 1 3 264.388 3.263 20 0 CGADHO C[NH+]1CCC(N(Cc2cc(F)ccn2)C2CCCC2)CC1 ZINC001232497304 818372589 /nfs/dbraw/zinc/37/25/89/818372589.db2.gz HJQXTRBYOZEDMC-UHFFFAOYSA-N 1 3 291.414 3.060 20 0 CGADHO CN1CC2(C1)CC[NH+](Cc1ccc3ccsc3c1)CC2 ZINC001232617083 818400467 /nfs/dbraw/zinc/40/04/67/818400467.db2.gz WFTCSYJGVGXOBM-UHFFFAOYSA-N 1 3 286.444 3.429 20 0 CGADHO Clc1cccc(CCCN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234994896 818971677 /nfs/dbraw/zinc/97/16/77/818971677.db2.gz TYHRHOHRJTZJIM-QGZVFWFLSA-N 1 3 292.854 3.348 20 0 CGADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235029991 818982080 /nfs/dbraw/zinc/98/20/80/818982080.db2.gz DEYKKOQVPJXCAQ-PVAVHDDUSA-N 1 3 290.838 3.129 20 0 CGADHO Cc1cc(C)cc(CN2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235042189 818988876 /nfs/dbraw/zinc/98/88/76/818988876.db2.gz VSSUNSIBJOJBJX-GOSISDBHSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1cccc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)c1C ZINC001235042275 818989080 /nfs/dbraw/zinc/98/90/80/818989080.db2.gz XMMHMNFTPQKBAI-SFHVURJKSA-N 1 3 272.436 3.412 20 0 CGADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)cc1C ZINC001235407475 819087743 /nfs/dbraw/zinc/08/77/43/819087743.db2.gz SBJFMIIDGDMFMU-ZWKOTPCHSA-N 1 3 290.426 3.135 20 0 CGADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)cc1C ZINC001235407475 819087748 /nfs/dbraw/zinc/08/77/48/819087748.db2.gz SBJFMIIDGDMFMU-ZWKOTPCHSA-N 1 3 290.426 3.135 20 0 CGADHO CC[NH2+]C1CCN(C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001235724946 819152869 /nfs/dbraw/zinc/15/28/69/819152869.db2.gz LXVKVIIZNKCSHB-CABCVRRESA-N 1 3 250.430 3.053 20 0 CGADHO CCC(C)(C)c1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC001235750950 819160326 /nfs/dbraw/zinc/16/03/26/819160326.db2.gz TXJDZJBNMZCKNC-OAHLLOKOSA-N 1 3 260.425 3.155 20 0 CGADHO CCN(Cc1ccc2cc(OC)ccc2c1)C1CC[NH2+]CC1 ZINC001235759835 819161935 /nfs/dbraw/zinc/16/19/35/819161935.db2.gz BMZFJLJWLGADGF-UHFFFAOYSA-N 1 3 298.430 3.422 20 0 CGADHO CC[N@H+](Cc1ccc2cc(OC)ccc2c1)C1CCNCC1 ZINC001235759835 819161938 /nfs/dbraw/zinc/16/19/38/819161938.db2.gz BMZFJLJWLGADGF-UHFFFAOYSA-N 1 3 298.430 3.422 20 0 CGADHO CC[N@@H+](Cc1ccc2cc(OC)ccc2c1)C1CCNCC1 ZINC001235759835 819161941 /nfs/dbraw/zinc/16/19/41/819161941.db2.gz BMZFJLJWLGADGF-UHFFFAOYSA-N 1 3 298.430 3.422 20 0 CGADHO Cc1ccc(CN(C)C[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001235842813 819185237 /nfs/dbraw/zinc/18/52/37/819185237.db2.gz RRWGUXNKKURVBY-OAHLLOKOSA-N 1 3 268.404 3.190 20 0 CGADHO Cc1c(F)cc(F)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235888421 819198147 /nfs/dbraw/zinc/19/81/47/819198147.db2.gz PACZNVBITMVHGY-QGZVFWFLSA-N 1 3 294.389 3.237 20 0 CGADHO CCCCc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235939118 819233290 /nfs/dbraw/zinc/23/32/90/819233290.db2.gz NVCLPERFKTXERM-ZWKOTPCHSA-N 1 3 272.436 3.071 20 0 CGADHO c1csc(-c2ccccc2CN2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235939304 819234123 /nfs/dbraw/zinc/23/41/23/819234123.db2.gz OXCNSUFEGDBTCF-GDBMZVCRSA-N 1 3 298.455 3.456 20 0 CGADHO CC1(CN2CCc3cc(Cl)ccc3C2)CC[NH2+]CC1 ZINC001235940604 819234522 /nfs/dbraw/zinc/23/45/22/819234522.db2.gz VSYPORBIXWABHR-UHFFFAOYSA-N 1 3 278.827 3.088 20 0 CGADHO COCC[N@H+](C[C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235946758 819236156 /nfs/dbraw/zinc/23/61/56/819236156.db2.gz RSVXLSZTVSWFBH-MRXNPFEDSA-N 1 3 282.472 3.069 20 0 CGADHO COCC[N@@H+](C[C@H](C)CCC=C(C)C)C1CCNCC1 ZINC001235946758 819236161 /nfs/dbraw/zinc/23/61/61/819236161.db2.gz RSVXLSZTVSWFBH-MRXNPFEDSA-N 1 3 282.472 3.069 20 0 CGADHO CC1=CC[C@@H](CC[N@@H+](C)C[C@H]2CCCNC2)C1(C)C ZINC001235951397 819241694 /nfs/dbraw/zinc/24/16/94/819241694.db2.gz RUVCJRJKIKLVRM-HOTGVXAUSA-N 1 3 264.457 3.300 20 0 CGADHO CC1=CC[C@@H](CC[N@H+](C)C[C@H]2CCCNC2)C1(C)C ZINC001235951397 819241699 /nfs/dbraw/zinc/24/16/99/819241699.db2.gz RUVCJRJKIKLVRM-HOTGVXAUSA-N 1 3 264.457 3.300 20 0 CGADHO CCn1ccc2c1cccc2CN(C)C[C@@H]1CCC[NH2+]C1 ZINC001235951755 819241788 /nfs/dbraw/zinc/24/17/88/819241788.db2.gz SECLZFBAYURVCU-OAHLLOKOSA-N 1 3 285.435 3.093 20 0 CGADHO COC(C)(C)CCC[C@H](C)CCN1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981825 819258255 /nfs/dbraw/zinc/25/82/55/819258255.db2.gz XSMKKVFZDCDQNB-UXLLHSPISA-N 1 3 282.472 3.031 20 0 CGADHO N[C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985860 819260370 /nfs/dbraw/zinc/26/03/70/819260370.db2.gz DFZZOMZTEYTJLW-PKOBYXMFSA-N 1 3 296.389 3.416 20 0 CGADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3ccc(F)cc3)cc1)C2 ZINC001235985860 819260373 /nfs/dbraw/zinc/26/03/73/819260373.db2.gz DFZZOMZTEYTJLW-PKOBYXMFSA-N 1 3 296.389 3.416 20 0 CGADHO C[N@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@H]1N ZINC001236212387 819373763 /nfs/dbraw/zinc/37/37/63/819373763.db2.gz KPVSTWKVDBAKBY-ZBFHGGJFSA-N 1 3 275.371 3.009 20 0 CGADHO C[N@@H+](Cc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[C@H]1N ZINC001236212387 819373766 /nfs/dbraw/zinc/37/37/66/819373766.db2.gz KPVSTWKVDBAKBY-ZBFHGGJFSA-N 1 3 275.371 3.009 20 0 CGADHO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236214732 819378841 /nfs/dbraw/zinc/37/88/41/819378841.db2.gz UZIZTEMUYPEILL-JKSUJKDBSA-N 1 3 276.424 3.014 20 0 CGADHO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)c(C)c1C ZINC001236214732 819378846 /nfs/dbraw/zinc/37/88/46/819378846.db2.gz UZIZTEMUYPEILL-JKSUJKDBSA-N 1 3 276.424 3.014 20 0 CGADHO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2N)c(C)c1C ZINC001236214730 819378865 /nfs/dbraw/zinc/37/88/65/819378865.db2.gz UZIZTEMUYPEILL-HZPDHXFCSA-N 1 3 276.424 3.014 20 0 CGADHO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)c(C)c1C ZINC001236214730 819378871 /nfs/dbraw/zinc/37/88/71/819378871.db2.gz UZIZTEMUYPEILL-HZPDHXFCSA-N 1 3 276.424 3.014 20 0 CGADHO C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1N ZINC001236216395 819379786 /nfs/dbraw/zinc/37/97/86/819379786.db2.gz KAXBGBSOUBHBBE-SJORKVTESA-N 1 3 258.409 3.266 20 0 CGADHO C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1N ZINC001236216395 819379792 /nfs/dbraw/zinc/37/97/92/819379792.db2.gz KAXBGBSOUBHBBE-SJORKVTESA-N 1 3 258.409 3.266 20 0 CGADHO CC[NH+](CC)Cc1ccc(F)c(-c2ccc(CN)nc2)c1 ZINC001236327030 819426637 /nfs/dbraw/zinc/42/66/37/819426637.db2.gz WQOGTSHNRWGURY-UHFFFAOYSA-N 1 3 287.382 3.188 20 0 CGADHO CC(C)(C)C[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236370389 819439364 /nfs/dbraw/zinc/43/93/64/819439364.db2.gz FEAIZIBPBBAVRF-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CC(C)(C)C[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236370389 819439369 /nfs/dbraw/zinc/43/93/69/819439369.db2.gz FEAIZIBPBBAVRF-AWEZNQCLSA-N 1 3 252.446 3.277 20 0 CGADHO CCCN(Cc1c[nH]c2cc(C)ccc12)C[C@H]1CC[NH2+]C1 ZINC001236835588 819614839 /nfs/dbraw/zinc/61/48/39/819614839.db2.gz NQWGNCUVKGICAO-HNNXBMFYSA-N 1 3 285.435 3.298 20 0 CGADHO CCN(CC)Cc1cccc(C2=CCC[NH2+]C2)c1F ZINC001240671419 821231992 /nfs/dbraw/zinc/23/19/92/821231992.db2.gz UVRBSWLDWRJZDI-UHFFFAOYSA-N 1 3 262.372 3.044 20 0 CGADHO Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H](N)C2)cc(C)c1N ZINC001241886430 822196327 /nfs/dbraw/zinc/19/63/27/822196327.db2.gz WWDUUCHMVLZHBF-QGZVFWFLSA-N 1 3 295.430 3.086 20 0 CGADHO Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H](N)C2)cc(C)c1N ZINC001241886430 822196333 /nfs/dbraw/zinc/19/63/33/822196333.db2.gz WWDUUCHMVLZHBF-QGZVFWFLSA-N 1 3 295.430 3.086 20 0 CGADHO CC1(C)CC=C(c2cc(N3CC[NH2+]CC3)ccn2)CC1 ZINC001242329262 822952634 /nfs/dbraw/zinc/95/26/34/822952634.db2.gz NRFSFKRUBDBJJS-UHFFFAOYSA-N 1 3 271.408 3.085 20 0 CGADHO